NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
607708 | 2ncl | 26031 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 27 H1 ALA 27 13.993 8.247 10.575 2 H2 ALA 27 H2 ALA 27 15.388 8.228 9.706 3 H3 ALA 27 H3 ALA 27 15.088 7.061 10.840 4 HA ALA 27 HA ALA 27 13.264 6.201 9.596 5 HB1 ALA 27 1HB ALA 27 12.617 8.361 8.540 6 HB2 ALA 27 2HB ALA 27 14.051 8.263 7.488 7 HB3 ALA 27 3HB ALA 27 12.766 7.052 7.352 8 H THR 28 H THR 28 13.535 4.651 7.814 9 HA THR 28 HA THR 28 16.251 4.256 6.709 10 HB THR 28 HB THR 28 14.973 1.956 8.144 11 HG1 THR 28 1HG THR 28 17.151 3.065 9.368 12 HG21 THR 28 1HG2 THR 28 16.743 1.174 6.728 13 HG22 THR 28 2HG2 THR 28 17.398 1.207 8.350 14 HG23 THR 28 3HG2 THR 28 17.814 2.512 7.216 15 H GLN 29 H GLN 29 16.157 2.169 5.240 16 HA GLN 29 HA GLN 29 13.457 1.724 4.112 17 HB2 GLN 29 2HB GLN 29 15.531 3.113 2.735 18 HB3 GLN 29 3HB GLN 29 15.510 1.483 2.018 19 HG2 GLN 29 2HG GLN 29 13.345 1.660 1.274 20 HG3 GLN 29 3HG GLN 29 12.908 2.892 2.457 21 HE21 GLN 29 2HE2 GLN 29 12.913 5.185 -0.170 22 HE22 GLN 29 1HE2 GLN 29 11.997 4.266 1.022 23 H THR 30 H THR 30 13.089 -0.291 3.158 24 HA THR 30 HA THR 30 15.221 -2.348 3.426 25 HB THR 30 HB THR 30 13.501 -4.077 3.184 26 HG1 THR 30 1HG THR 30 11.335 -3.345 3.597 27 HG21 THR 30 1HG2 THR 30 12.767 -2.236 5.466 28 HG22 THR 30 2HG2 THR 30 14.145 -3.371 5.487 29 HG23 THR 30 3HG2 THR 30 12.489 -3.978 5.366 30 H GLU 31 H GLU 31 15.263 -3.840 1.507 31 HA GLU 31 HA GLU 31 14.811 -2.581 -1.098 32 HB2 GLU 31 2HB GLU 31 15.440 -5.422 -0.174 33 HB3 GLU 31 3HB GLU 31 15.159 -4.981 -1.845 34 HG2 GLU 31 2HG GLU 31 17.486 -4.996 -1.631 35 HG3 GLU 31 3HG GLU 31 17.032 -3.299 -1.702 36 H GLY 32 H GLY 32 12.896 -4.333 1.182 37 HA2 GLY 32 2HA GLY 32 10.648 -5.166 -0.398 38 HA3 GLY 32 3HA GLY 32 10.690 -4.878 1.338 39 H GLU 33 H GLU 33 11.273 -2.082 1.442 40 HA GLU 33 HA GLU 33 8.879 -0.779 0.984 41 HB2 GLU 33 2HB GLU 33 11.310 -0.252 2.144 42 HB3 GLU 33 3HB GLU 33 11.485 0.721 0.705 43 HG2 GLU 33 2HG GLU 33 8.975 1.016 2.252 44 HG3 GLU 33 3HG GLU 33 10.440 1.487 3.072 45 H LEU 34 H LEU 34 11.713 -0.964 -1.123 46 HA LEU 34 HA LEU 34 10.773 0.675 -3.255 47 HB2 LEU 34 2HB LEU 34 12.687 -1.651 -3.577 48 HB3 LEU 34 3HB LEU 34 12.661 -0.114 -4.438 49 HG LEU 34 HG LEU 34 13.461 -0.608 -1.561 50 HD11 LEU 34 1HD1 LEU 34 15.118 -1.335 -3.253 51 HD12 LEU 34 2HD1 LEU 34 15.710 0.042 -2.303 52 HD13 LEU 34 3HD1 LEU 34 15.114 0.298 -3.956 53 HD21 LEU 34 3HD2 LEU 34 12.399 1.631 -1.755 54 HD22 LEU 34 1HD2 LEU 34 13.442 2.013 -3.138 55 HD23 LEU 34 2HD2 LEU 34 14.146 1.788 -1.522 56 H ARG 35 H ARG 35 10.966 -2.958 -2.983 57 HA ARG 35 HA ARG 35 9.646 -3.747 -5.246 58 HB2 ARG 35 2HB ARG 35 10.799 -5.033 -3.318 59 HB3 ARG 35 3HB ARG 35 9.343 -4.816 -2.382 60 HG2 ARG 35 2HG ARG 35 8.657 -6.726 -3.257 61 HG3 ARG 35 3HG ARG 35 8.201 -5.823 -4.676 62 HD2 ARG 35 2HD ARG 35 11.042 -6.861 -4.322 63 HD3 ARG 35 3HD ARG 35 9.800 -7.749 -5.072 64 HE ARG 35 HE ARG 35 11.226 -5.530 -6.252 65 HH11 ARG 35 1HH1 ARG 35 8.321 -7.495 -6.677 66 HH12 ARG 35 2HH1 ARG 35 8.072 -6.896 -8.280 67 HH21 ARG 35 2HH2 ARG 35 9.448 -5.342 -9.134 68 HH22 ARG 35 1HH2 ARG 35 10.822 -4.776 -8.176 69 H VAL 36 H VAL 36 8.204 -2.974 -2.090 70 HA VAL 36 HA VAL 36 5.585 -3.748 -2.899 71 HB VAL 36 HB VAL 36 6.646 -2.050 -0.583 72 HG11 VAL 36 1HG1 VAL 36 4.348 -2.207 0.428 73 HG12 VAL 36 2HG1 VAL 36 4.476 -1.092 -0.930 74 HG13 VAL 36 3HG1 VAL 36 3.733 -2.683 -1.176 75 HG21 VAL 36 3HG2 VAL 36 6.994 -4.537 -0.534 76 HG22 VAL 36 1HG2 VAL 36 5.941 -3.976 0.769 77 HG23 VAL 36 2HG2 VAL 36 5.249 -4.761 -0.669 78 H THR 37 H THR 37 7.352 -0.583 -2.732 79 HA THR 37 HA THR 37 5.229 1.023 -3.718 80 HB THR 37 HB THR 37 8.173 1.424 -4.155 81 HG1 THR 37 1HG THR 37 7.918 1.365 -2.023 82 HG21 THR 37 1HG2 THR 37 6.879 2.978 -5.552 83 HG22 THR 37 2HG2 THR 37 7.626 3.849 -4.212 84 HG23 THR 37 3HG2 THR 37 5.896 3.439 -4.143 85 H GLN 38 H GLN 38 7.563 -0.982 -5.497 86 HA GLN 38 HA GLN 38 7.012 0.035 -8.096 87 HB2 GLN 38 2HB GLN 38 7.819 -2.821 -7.374 88 HB3 GLN 38 3HB GLN 38 7.821 -2.092 -8.945 89 HG2 GLN 38 2HG GLN 38 9.789 -1.755 -6.748 90 HG3 GLN 38 3HG GLN 38 10.038 -2.022 -8.447 91 HE21 GLN 38 2HE2 GLN 38 9.928 1.785 -6.987 92 HE22 GLN 38 1HE2 GLN 38 9.635 0.382 -5.962 93 H ILE 39 H ILE 39 5.475 -2.756 -6.375 94 HA ILE 39 HA ILE 39 3.766 -3.260 -8.723 95 HB ILE 39 HB ILE 39 3.374 -4.394 -5.925 96 HG12 ILE 39 2HG1 ILE 39 5.210 -5.451 -8.128 97 HG13 ILE 39 3HG1 ILE 39 5.726 -4.810 -6.576 98 HG21 ILE 39 1HG2 ILE 39 2.643 -5.311 -8.756 99 HG22 ILE 39 2HG2 ILE 39 2.343 -6.256 -7.287 100 HG23 ILE 39 3HG2 ILE 39 1.534 -4.722 -7.493 101 HD11 ILE 39 3HD1 ILE 39 4.225 -7.393 -7.031 102 HD12 ILE 39 1HD1 ILE 39 5.852 -7.154 -6.390 103 HD13 ILE 39 2HD1 ILE 39 4.450 -6.649 -5.425 104 H LEU 40 H LEU 40 3.408 -1.494 -5.666 105 HA LEU 40 HA LEU 40 0.661 -0.841 -5.865 106 HB2 LEU 40 2HB LEU 40 3.095 0.641 -4.748 107 HB3 LEU 40 3HB LEU 40 1.491 1.349 -4.725 108 HG LEU 40 HG LEU 40 2.301 -1.308 -3.487 109 HD11 LEU 40 1HD1 LEU 40 3.202 0.692 -2.347 110 HD12 LEU 40 2HD1 LEU 40 2.021 -0.148 -1.337 111 HD13 LEU 40 3HD1 LEU 40 1.558 1.348 -2.187 112 HD21 LEU 40 3HD2 LEU 40 -0.383 0.074 -3.505 113 HD22 LEU 40 1HD2 LEU 40 0.076 -1.144 -2.282 114 HD23 LEU 40 2HD2 LEU 40 0.010 -1.584 -3.982 115 H LYS 41 H LYS 41 3.336 0.721 -7.610 116 HA LYS 41 HA LYS 41 1.884 2.926 -8.646 117 HB2 LYS 41 2HB LYS 41 3.953 1.425 -10.258 118 HB3 LYS 41 3HB LYS 41 3.496 3.140 -10.389 119 HG2 LYS 41 2HG LYS 41 4.327 3.243 -7.894 120 HG3 LYS 41 3HG LYS 41 5.039 1.679 -8.324 121 HD2 LYS 41 2HD LYS 41 6.075 2.863 -10.331 122 HD3 LYS 41 3HD LYS 41 5.762 4.375 -9.464 123 HE2 LYS 41 2HE LYS 41 7.203 3.772 -7.671 124 HE3 LYS 41 3HE LYS 41 7.175 2.058 -8.102 125 HZ1 LYS 41 3HZ LYS 41 9.241 3.131 -8.706 126 HZ2 LYS 41 1HZ LYS 41 8.476 4.188 -9.678 127 HZ3 LYS 41 2HZ LYS 41 8.484 2.567 -10.072 128 H GLU 42 H GLU 42 2.066 -0.397 -9.812 129 HA GLU 42 HA GLU 42 0.683 -0.053 -12.263 130 HB2 GLU 42 2HB GLU 42 2.014 -1.991 -10.538 131 HB3 GLU 42 3HB GLU 42 1.063 -2.651 -11.690 132 HG2 GLU 42 2HG GLU 42 3.605 -2.344 -12.188 133 HG3 GLU 42 3HG GLU 42 2.357 -2.199 -13.401 134 H LYS 43 H LYS 43 0.037 -1.563 -9.127 135 HA LYS 43 HA LYS 43 -2.599 -2.225 -10.004 136 HB2 LYS 43 2HB LYS 43 -1.722 -1.996 -7.102 137 HB3 LYS 43 3HB LYS 43 -3.186 -2.726 -7.760 138 HG2 LYS 43 2HG LYS 43 -0.425 -3.836 -7.935 139 HG3 LYS 43 3HG LYS 43 -1.794 -4.483 -7.083 140 HD2 LYS 43 2HD LYS 43 -2.902 -5.249 -8.972 141 HD3 LYS 43 3HD LYS 43 -2.040 -4.167 -10.048 142 HE2 LYS 43 2HE LYS 43 0.070 -5.459 -9.657 143 HE3 LYS 43 3HE LYS 43 -0.857 -6.614 -8.681 144 HZ1 LYS 43 3HZ LYS 43 -0.674 -7.390 -10.976 145 HZ2 LYS 43 1HZ LYS 43 -1.344 -5.990 -11.553 146 HZ3 LYS 43 2HZ LYS 43 -2.234 -7.034 -10.650 147 H PHE 44 H PHE 44 -1.217 0.702 -8.825 148 HA PHE 44 HA PHE 44 -3.841 1.966 -9.220 149 HB2 PHE 44 2HB PHE 44 -1.893 2.706 -6.979 150 HB3 PHE 44 3HB PHE 44 -3.504 3.370 -7.228 151 HD1 PHE 44 1HD PHE 44 -1.617 0.559 -5.762 152 HD2 PHE 44 2HD PHE 44 -5.521 2.003 -6.863 153 HE1 PHE 44 1HE PHE 44 -2.644 -1.296 -4.499 154 HE2 PHE 44 2HE PHE 44 -6.558 0.163 -5.551 155 HZ PHE 44 HZ PHE 44 -5.122 -1.496 -4.397 156 HA PRO 45 HA PRO 45 -1.072 4.642 -11.759 157 HB2 PRO 45 2HB PRO 45 -2.158 4.091 -14.214 158 HB3 PRO 45 3HB PRO 45 -0.786 3.188 -13.510 159 HG2 PRO 45 2HG PRO 45 -3.730 2.442 -13.424 160 HG3 PRO 45 3HG PRO 45 -2.344 1.404 -13.891 161 HD2 PRO 45 2HD PRO 45 -3.269 1.206 -11.419 162 HD3 PRO 45 3HD PRO 45 -1.557 1.313 -11.623 163 H ARG 46 H ARG 46 -4.553 4.146 -11.389 164 HA ARG 46 HA ARG 46 -5.152 6.856 -12.308 165 HB2 ARG 46 2HB ARG 46 -6.821 4.837 -10.759 166 HB3 ARG 46 3HB ARG 46 -7.426 6.351 -11.401 167 HG2 ARG 46 2HG ARG 46 -6.328 4.065 -13.088 168 HG3 ARG 46 3HG ARG 46 -8.032 4.424 -12.801 169 HD2 ARG 46 2HD ARG 46 -7.785 6.618 -13.912 170 HD3 ARG 46 3HD ARG 46 -6.062 6.279 -14.173 171 HE ARG 46 HE ARG 46 -7.507 4.137 -15.307 172 HH11 ARG 46 1HH1 ARG 46 -6.699 7.482 -16.009 173 HH12 ARG 46 2HH1 ARG 46 -6.789 7.210 -17.735 174 HH21 ARG 46 2HH2 ARG 46 -7.522 5.267 -18.526 175 HH22 ARG 46 1HH2 ARG 46 -7.899 3.950 -17.433 176 H ALA 47 H ALA 47 -3.527 5.869 -9.620 177 HA ALA 47 HA ALA 47 -4.712 7.297 -7.561 178 HB1 ALA 47 1HB ALA 47 -2.578 7.007 -6.382 179 HB2 ALA 47 2HB ALA 47 -3.085 5.535 -7.209 180 HB3 ALA 47 3HB ALA 47 -1.795 6.552 -7.904 181 H THR 48 H THR 48 -4.354 9.126 -6.463 182 HA THR 48 HA THR 48 -2.852 11.403 -7.736 183 HB THR 48 HB THR 48 -4.221 12.778 -6.207 184 HG1 THR 48 1HG THR 48 -5.668 11.774 -4.994 185 HG21 THR 48 1HG2 THR 48 -4.707 12.656 -8.617 186 HG22 THR 48 2HG2 THR 48 -6.203 12.774 -7.677 187 HG23 THR 48 3HG2 THR 48 -5.703 11.208 -8.357 188 H ALA 49 H ALA 49 -3.182 9.474 -4.725 189 HA ALA 49 HA ALA 49 -0.516 10.607 -3.939 190 HB1 ALA 49 1HB ALA 49 -2.564 9.383 -2.052 191 HB2 ALA 49 2HB ALA 49 -1.043 10.188 -1.635 192 HB3 ALA 49 3HB ALA 49 -2.395 11.126 -2.303 193 H ILE 50 H ILE 50 1.132 9.140 -3.711 194 HA ILE 50 HA ILE 50 0.611 6.411 -2.914 195 HB ILE 50 HB ILE 50 2.299 5.560 -4.766 196 HG12 ILE 50 2HG1 ILE 50 0.784 7.617 -6.422 197 HG13 ILE 50 3HG1 ILE 50 2.468 7.792 -5.918 198 HG21 ILE 50 1HG2 ILE 50 0.523 4.482 -5.913 199 HG22 ILE 50 2HG2 ILE 50 0.031 4.668 -4.230 200 HG23 ILE 50 3HG2 ILE 50 -0.631 5.749 -5.476 201 HD11 ILE 50 3HD1 ILE 50 1.361 5.605 -7.728 202 HD12 ILE 50 1HD1 ILE 50 2.404 6.957 -8.189 203 HD13 ILE 50 2HD1 ILE 50 3.037 5.682 -7.132 204 H LYS 51 H LYS 51 1.933 6.159 -1.277 205 HA LYS 51 HA LYS 51 4.836 6.316 -1.654 206 HB2 LYS 51 2HB LYS 51 5.206 7.727 0.280 207 HB3 LYS 51 3HB LYS 51 4.420 8.562 -1.048 208 HG2 LYS 51 2HG LYS 51 2.190 7.942 0.318 209 HG3 LYS 51 3HG LYS 51 3.335 7.766 1.655 210 HD2 LYS 51 2HD LYS 51 2.526 9.989 1.741 211 HD3 LYS 51 3HD LYS 51 4.165 10.107 1.047 212 HE2 LYS 51 2HE LYS 51 3.294 10.404 -1.182 213 HE3 LYS 51 3HE LYS 51 1.674 9.895 -0.706 214 HZ1 LYS 51 3HZ LYS 51 1.939 12.349 -0.947 215 HZ2 LYS 51 1HZ LYS 51 2.958 12.362 0.341 216 HZ3 LYS 51 2HZ LYS 51 1.383 11.893 0.517 217 H VAL 52 H VAL 52 6.025 5.189 -0.067 218 HA VAL 52 HA VAL 52 4.559 3.516 1.911 219 HB VAL 52 HB VAL 52 6.856 2.505 0.193 220 HG11 VAL 52 1HG1 VAL 52 4.885 1.003 1.938 221 HG12 VAL 52 2HG1 VAL 52 6.117 0.264 0.893 222 HG13 VAL 52 3HG1 VAL 52 6.606 1.256 2.260 223 HG21 VAL 52 3HG2 VAL 52 5.019 2.849 -1.388 224 HG22 VAL 52 1HG2 VAL 52 5.271 1.150 -1.114 225 HG23 VAL 52 2HG2 VAL 52 3.900 1.973 -0.311 226 H THR 53 H THR 53 5.701 3.067 3.829 227 HA THR 53 HA THR 53 8.599 3.871 3.959 228 HB THR 53 HB THR 53 6.470 4.594 6.044 229 HG1 THR 53 1HG THR 53 8.036 6.255 4.366 230 HG21 THR 53 1HG2 THR 53 8.562 4.101 7.124 231 HG22 THR 53 2HG2 THR 53 8.285 5.822 7.167 232 HG23 THR 53 3HG2 THR 53 9.453 5.151 5.994 233 H ASP 54 H ASP 54 9.842 2.386 4.851 234 HA ASP 54 HA ASP 54 8.742 0.093 6.405 235 HB2 ASP 54 2HB ASP 54 10.730 -0.305 4.974 236 HB3 ASP 54 3HB ASP 54 11.496 1.119 5.518 237 H ILE 55 H ILE 55 8.289 0.159 8.384 238 HA ILE 55 HA ILE 55 9.549 2.152 10.213 239 HB ILE 55 HB ILE 55 7.426 2.320 11.431 240 HG12 ILE 55 2HG1 ILE 55 6.289 0.567 9.193 241 HG13 ILE 55 3HG1 ILE 55 6.224 0.381 10.885 242 HG21 ILE 55 1HG2 ILE 55 8.249 3.925 9.638 243 HG22 ILE 55 2HG2 ILE 55 7.083 3.149 8.534 244 HG23 ILE 55 3HG2 ILE 55 6.527 3.986 9.994 245 HD11 ILE 55 3HD1 ILE 55 4.703 2.442 10.996 246 HD12 ILE 55 1HD1 ILE 55 4.758 2.514 9.222 247 HD13 ILE 55 2HD1 ILE 55 4.029 1.121 10.022 248 H SER 56 H SER 56 10.316 -0.510 9.447 249 HA SER 56 HA SER 56 10.514 -1.888 12.063 250 HB2 SER 56 2HB SER 56 8.686 -2.787 10.821 251 HB3 SER 56 3HB SER 56 9.701 -3.074 9.428 252 HG SER 56 HG SER 56 10.394 -4.162 11.970 253 H GLY 57 H GLY 57 12.536 -0.349 11.590 254 HA2 GLY 57 2HA GLY 57 14.503 -0.776 9.745 255 HA3 GLY 57 3HA GLY 57 14.763 -0.231 11.381 256 H GLY 58 H GLY 58 13.791 -3.233 11.978 257 HA2 GLY 58 2HA GLY 58 16.440 -4.574 11.625 258 HA3 GLY 58 3HA GLY 58 15.693 -4.490 13.221 259 H CYS 59 H CYS 59 13.533 -4.859 10.560 260 HA CYS 59 HA CYS 59 13.717 -7.755 10.303 261 HB2 CYS 59 2HB CYS 59 12.286 -7.377 12.406 262 HB3 CYS 59 3HB CYS 59 11.085 -6.617 11.374 263 HG CYS 59 HG CYS 59 10.475 -9.165 11.993 264 H GLY 60 H GLY 60 11.964 -4.728 9.645 265 HA2 GLY 60 2HA GLY 60 10.755 -3.951 7.973 266 HA3 GLY 60 3HA GLY 60 11.493 -5.144 6.855 267 H ALA 61 H ALA 61 9.493 -5.640 9.768 268 HA ALA 61 HA ALA 61 7.518 -7.277 8.268 269 HB1 ALA 61 1HB ALA 61 7.839 -6.675 11.236 270 HB2 ALA 61 2HB ALA 61 6.701 -7.836 10.514 271 HB3 ALA 61 3HB ALA 61 8.444 -8.115 10.380 272 H MET 62 H MET 62 7.679 -4.095 9.841 273 HA MET 62 HA MET 62 4.833 -3.565 9.131 274 HB2 MET 62 2HB MET 62 6.720 -2.154 11.068 275 HB3 MET 62 3HB MET 62 5.201 -1.477 10.509 276 HG2 MET 62 2HG MET 62 3.950 -2.639 11.736 277 HG3 MET 62 3HG MET 62 4.831 -4.171 11.569 278 HE1 MET 62 3HE MET 62 6.960 -4.760 12.969 279 HE2 MET 62 1HE MET 62 7.827 -3.209 12.846 280 HE3 MET 62 2HE MET 62 7.488 -3.909 14.439 281 H TYR 63 H TYR 63 4.257 -2.073 7.748 282 HA TYR 63 HA TYR 63 6.177 -0.033 6.892 283 HB2 TYR 63 2HB TYR 63 4.556 -1.644 4.908 284 HB3 TYR 63 3HB TYR 63 5.407 -0.234 4.527 285 HD1 TYR 63 HD1 TYR 63 5.738 -3.734 5.631 286 HD2 TYR 63 HD2 TYR 63 7.830 -0.328 4.012 287 HE1 TYR 63 HE1 TYR 63 7.690 -5.173 5.155 288 HE2 TYR 63 HE2 TYR 63 9.821 -1.731 3.644 289 HH TYR 63 HH TYR 63 9.824 -5.218 4.603 290 H GLU 64 H GLU 64 5.247 1.870 6.315 291 HA GLU 64 HA GLU 64 2.349 2.338 6.745 292 HB2 GLU 64 2HB GLU 64 4.422 3.927 7.452 293 HB3 GLU 64 3HB GLU 64 4.285 4.451 5.769 294 HG2 GLU 64 2HG GLU 64 1.804 4.783 6.216 295 HG3 GLU 64 3HG GLU 64 2.138 4.389 7.884 296 H ILE 65 H ILE 65 0.954 2.599 4.959 297 HA ILE 65 HA ILE 65 2.164 3.176 2.291 298 HB ILE 65 HB ILE 65 -0.002 1.095 2.764 299 HG12 ILE 65 2HG1 ILE 65 2.711 0.763 1.420 300 HG13 ILE 65 3HG1 ILE 65 2.392 0.312 3.094 301 HG21 ILE 65 1HG2 ILE 65 1.132 2.271 0.177 302 HG22 ILE 65 2HG2 ILE 65 0.023 0.887 0.242 303 HG23 ILE 65 3HG2 ILE 65 -0.533 2.449 0.778 304 HD11 ILE 65 3HD1 ILE 65 0.706 -1.336 2.361 305 HD12 ILE 65 1HD1 ILE 65 1.047 -0.946 0.662 306 HD13 ILE 65 2HD1 ILE 65 2.310 -1.646 1.658 307 H LYS 66 H LYS 66 1.237 4.895 1.364 308 HA LYS 66 HA LYS 66 -1.524 5.750 2.201 309 HB2 LYS 66 2HB LYS 66 1.059 7.293 2.103 310 HB3 LYS 66 3HB LYS 66 -0.458 8.138 1.784 311 HG2 LYS 66 2HG LYS 66 -1.298 7.686 3.949 312 HG3 LYS 66 3HG LYS 66 -0.098 6.413 4.256 313 HD2 LYS 66 2HD LYS 66 1.695 8.093 4.336 314 HD3 LYS 66 3HD LYS 66 0.508 9.392 4.044 315 HE2 LYS 66 2HE LYS 66 -0.666 8.883 6.106 316 HE3 LYS 66 3HE LYS 66 0.265 7.398 6.342 317 HZ1 LYS 66 3HZ LYS 66 2.236 8.718 6.677 318 HZ2 LYS 66 1HZ LYS 66 1.053 9.196 7.725 319 HZ3 LYS 66 2HZ LYS 66 1.381 10.136 6.425 320 H ILE 67 H ILE 67 -2.863 5.584 0.583 321 HA ILE 67 HA ILE 67 -1.964 6.195 -2.143 322 HB ILE 67 HB ILE 67 -4.021 4.100 -1.536 323 HG12 ILE 67 2HG1 ILE 67 -1.027 3.875 -1.445 324 HG13 ILE 67 3HG1 ILE 67 -2.276 3.103 -0.558 325 HG21 ILE 67 1HG2 ILE 67 -2.399 4.793 -4.011 326 HG22 ILE 67 2HG2 ILE 67 -3.528 3.422 -3.882 327 HG23 ILE 67 3HG2 ILE 67 -4.138 5.045 -3.788 328 HD11 ILE 67 3HD1 ILE 67 -2.696 1.639 -2.578 329 HD12 ILE 67 1HD1 ILE 67 -1.370 2.490 -3.410 330 HD13 ILE 67 2HD1 ILE 67 -1.023 1.560 -1.955 331 H GLU 68 H GLU 68 -3.664 7.152 -3.488 332 HA GLU 68 HA GLU 68 -6.441 7.370 -2.551 333 HB2 GLU 68 2HB GLU 68 -5.412 9.416 -1.594 334 HB3 GLU 68 3HB GLU 68 -4.700 9.747 -3.080 335 HG2 GLU 68 2HG GLU 68 -7.029 10.036 -4.085 336 HG3 GLU 68 3HG GLU 68 -7.699 9.763 -2.494 337 H SER 69 H SER 69 -7.739 7.060 -4.393 338 HA SER 69 HA SER 69 -6.643 7.596 -7.085 339 HB2 SER 69 2HB SER 69 -5.687 5.336 -6.432 340 HB3 SER 69 3HB SER 69 -7.326 4.768 -6.208 341 HG SER 69 HG SER 69 -6.756 4.225 -8.316 342 H GLU 70 H GLU 70 -8.147 7.655 -8.693 343 HA GLU 70 HA GLU 70 -10.847 8.266 -8.059 344 HB2 GLU 70 2HB GLU 70 -9.393 7.650 -10.553 345 HB3 GLU 70 3HB GLU 70 -11.127 7.964 -10.598 346 HG2 GLU 70 2HG GLU 70 -10.651 10.150 -9.417 347 HG3 GLU 70 3HG GLU 70 -8.923 9.853 -9.692 348 H GLU 71 H GLU 71 -9.442 5.098 -8.586 349 HA GLU 71 HA GLU 71 -11.951 3.793 -9.280 350 HB2 GLU 71 2HB GLU 71 -10.754 1.797 -9.327 351 HB3 GLU 71 3HB GLU 71 -9.647 3.031 -9.922 352 HG2 GLU 71 2HG GLU 71 -9.013 3.078 -7.247 353 HG3 GLU 71 3HG GLU 71 -9.582 1.422 -7.388 354 H PHE 72 H PHE 72 -10.702 4.910 -6.257 355 HA PHE 72 HA PHE 72 -11.923 2.790 -4.664 356 HB2 PHE 72 2HB PHE 72 -10.328 5.299 -4.120 357 HB3 PHE 72 3HB PHE 72 -11.051 4.417 -2.834 358 HD1 PHE 72 1HD PHE 72 -8.063 5.079 -3.746 359 HD2 PHE 72 2HD PHE 72 -10.505 1.530 -3.653 360 HE1 PHE 72 1HE PHE 72 -6.047 3.704 -3.331 361 HE2 PHE 72 2HE PHE 72 -8.492 0.169 -3.259 362 HZ PHE 72 HZ PHE 72 -6.263 1.251 -3.083 363 H LYS 73 H LYS 73 -13.608 4.654 -6.349 364 HA LYS 73 HA LYS 73 -15.278 6.214 -4.529 365 HB2 LYS 73 2HB LYS 73 -16.715 6.573 -6.482 366 HB3 LYS 73 3HB LYS 73 -15.027 6.928 -6.843 367 HG2 LYS 73 2HG LYS 73 -14.790 4.737 -7.983 368 HG3 LYS 73 3HG LYS 73 -16.489 4.368 -7.633 369 HD2 LYS 73 2HD LYS 73 -17.257 6.224 -8.999 370 HD3 LYS 73 3HD LYS 73 -15.586 6.739 -9.270 371 HE2 LYS 73 2HE LYS 73 -16.200 5.508 -11.194 372 HE3 LYS 73 3HE LYS 73 -15.099 4.480 -10.278 373 HZ1 LYS 73 3HZ LYS 73 -17.363 3.592 -11.252 374 HZ2 LYS 73 1HZ LYS 73 -17.948 4.088 -9.798 375 HZ3 LYS 73 2HZ LYS 73 -16.727 2.976 -9.890 376 H GLU 74 H GLU 74 -15.710 3.135 -6.191 377 HA GLU 74 HA GLU 74 -18.258 2.649 -4.856 378 HB2 GLU 74 2HB GLU 74 -18.498 0.878 -6.435 379 HB3 GLU 74 3HB GLU 74 -17.916 2.344 -7.227 380 HG2 GLU 74 2HG GLU 74 -15.548 1.286 -7.040 381 HG3 GLU 74 3HG GLU 74 -16.408 -0.235 -6.758 382 H LYS 75 H LYS 75 -16.176 2.758 -2.999 383 HA LYS 75 HA LYS 75 -16.048 0.014 -1.837 384 HB2 LYS 75 2HB LYS 75 -13.713 1.953 -2.286 385 HB3 LYS 75 3HB LYS 75 -13.600 0.390 -1.483 386 HG2 LYS 75 2HG LYS 75 -14.342 0.753 -4.418 387 HG3 LYS 75 3HG LYS 75 -12.720 0.489 -3.825 388 HD2 LYS 75 2HD LYS 75 -13.193 -1.678 -3.012 389 HD3 LYS 75 3HD LYS 75 -14.961 -1.476 -3.159 390 HE2 LYS 75 2HE LYS 75 -14.880 -1.366 -5.504 391 HE3 LYS 75 3HE LYS 75 -13.113 -1.208 -5.524 392 HZ1 LYS 75 3HZ LYS 75 -14.650 -3.653 -4.812 393 HZ2 LYS 75 1HZ LYS 75 -13.053 -3.513 -4.545 394 HZ3 LYS 75 2HZ LYS 75 -13.621 -3.470 -6.085 395 H ARG 76 H ARG 76 -16.105 -0.141 0.248 396 HA ARG 76 HA ARG 76 -16.197 2.035 2.121 397 HB2 ARG 76 2HB ARG 76 -15.458 -0.840 2.739 398 HB3 ARG 76 3HB ARG 76 -16.368 0.296 3.645 399 HG2 ARG 76 2HG ARG 76 -17.495 -1.071 1.225 400 HG3 ARG 76 3HG ARG 76 -17.750 -1.526 2.902 401 HD2 ARG 76 2HD ARG 76 -18.748 0.695 3.375 402 HD3 ARG 76 3HD ARG 76 -18.517 1.163 1.675 403 HE ARG 76 HE ARG 76 -19.946 -1.237 1.612 404 HH11 ARG 76 1HH1 ARG 76 -20.555 1.985 2.915 405 HH12 ARG 76 2HH1 ARG 76 -22.285 1.740 2.932 406 HH21 ARG 76 2HH2 ARG 76 -23.155 -0.004 1.922 407 HH22 ARG 76 1HH2 ARG 76 -22.137 -1.299 1.316 408 H THR 77 H THR 77 -14.613 2.044 4.003 409 HA THR 77 HA THR 77 -11.870 2.260 3.412 410 HB THR 77 HB THR 77 -13.211 1.362 5.959 411 HG1 THR 77 1HG THR 77 -12.554 3.914 4.927 412 HG21 THR 77 1HG2 THR 77 -10.825 1.071 6.269 413 HG22 THR 77 2HG2 THR 77 -11.288 2.550 7.112 414 HG23 THR 77 3HG2 THR 77 -10.474 2.656 5.532 415 H VAL 78 H VAL 78 -13.407 -0.577 4.932 416 HA VAL 78 HA VAL 78 -11.125 -2.250 4.875 417 HB VAL 78 HB VAL 78 -13.075 -2.696 6.219 418 HG11 VAL 78 1HG1 VAL 78 -14.813 -1.976 4.589 419 HG12 VAL 78 2HG1 VAL 78 -14.573 -3.497 3.700 420 HG13 VAL 78 3HG1 VAL 78 -15.165 -3.524 5.368 421 HG21 VAL 78 3HG2 VAL 78 -13.262 -5.091 5.928 422 HG22 VAL 78 1HG2 VAL 78 -12.650 -5.001 4.265 423 HG23 VAL 78 2HG2 VAL 78 -11.588 -4.593 5.636 424 H GLN 79 H GLN 79 -13.499 -1.670 2.345 425 HA GLN 79 HA GLN 79 -12.494 -3.780 0.596 426 HB2 GLN 79 2HB GLN 79 -14.413 -1.485 0.021 427 HB3 GLN 79 3HB GLN 79 -14.013 -2.820 -1.054 428 HG2 GLN 79 2HG GLN 79 -14.753 -4.233 1.138 429 HG3 GLN 79 3HG GLN 79 -15.804 -2.836 1.315 430 HE21 GLN 79 2HE2 GLN 79 -17.896 -4.004 -1.355 431 HE22 GLN 79 1HE2 GLN 79 -17.788 -2.962 0.041 432 H GLN 80 H GLN 80 -11.954 -0.239 0.825 433 HA GLN 80 HA GLN 80 -10.173 0.008 -1.430 434 HB2 GLN 80 2HB GLN 80 -10.280 1.471 1.249 435 HB3 GLN 80 3HB GLN 80 -9.222 1.919 -0.083 436 HG2 GLN 80 2HG GLN 80 -11.073 2.558 -1.472 437 HG3 GLN 80 3HG GLN 80 -12.242 1.909 -0.351 438 HE21 GLN 80 2HE2 GLN 80 -12.315 5.522 0.300 439 HE22 GLN 80 1HE2 GLN 80 -12.705 4.480 -1.067 440 H HIS 81 H HIS 81 -9.477 -0.553 2.090 441 HA HIS 81 HA HIS 81 -6.714 -0.990 1.963 442 HB2 HIS 81 2HB HIS 81 -8.856 -2.292 3.679 443 HB3 HIS 81 3HB HIS 81 -7.136 -2.565 3.922 444 HD1 HIS 81 1HD HIS 81 -9.056 -1.215 6.112 445 HD2 HIS 81 2HD HIS 81 -6.318 0.650 3.504 446 HE1 HIS 81 1HE HIS 81 -8.386 0.974 7.217 447 H GLN 82 H GLN 82 -9.206 -3.595 1.660 448 HA GLN 82 HA GLN 82 -7.656 -5.790 1.211 449 HB2 GLN 82 2HB GLN 82 -10.007 -5.932 1.455 450 HB3 GLN 82 3HB GLN 82 -10.312 -4.941 0.046 451 HG2 GLN 82 2HG GLN 82 -10.824 -7.214 -0.470 452 HG3 GLN 82 3HG GLN 82 -9.446 -6.739 -1.440 453 HE21 GLN 82 2HE2 GLN 82 -8.488 -10.058 -0.378 454 HE22 GLN 82 1HE2 GLN 82 -9.130 -9.075 -1.707 455 H MET 83 H MET 83 -8.528 -3.419 -1.386 456 HA MET 83 HA MET 83 -7.286 -4.808 -3.538 457 HB2 MET 83 2HB MET 83 -7.645 -1.815 -3.124 458 HB3 MET 83 3HB MET 83 -7.361 -2.610 -4.677 459 HG2 MET 83 2HG MET 83 -9.409 -3.800 -4.512 460 HG3 MET 83 3HG MET 83 -9.743 -3.247 -2.904 461 HE1 MET 83 3HE MET 83 -9.651 -2.321 -6.658 462 HE2 MET 83 1HE MET 83 -10.228 -0.640 -6.673 463 HE3 MET 83 2HE MET 83 -8.610 -1.010 -6.045 464 H VAL 84 H VAL 84 -6.058 -2.334 -1.360 465 HA VAL 84 HA VAL 84 -3.362 -2.127 -2.463 466 HB VAL 84 HB VAL 84 -4.180 -1.388 0.365 467 HG11 VAL 84 1HG1 VAL 84 -2.072 -0.372 -1.552 468 HG12 VAL 84 2HG1 VAL 84 -2.553 0.574 -0.138 469 HG13 VAL 84 3HG1 VAL 84 -1.824 -1.048 0.062 470 HG21 VAL 84 3HG2 VAL 84 -5.830 -0.349 -1.060 471 HG22 VAL 84 1HG2 VAL 84 -4.714 0.854 -0.462 472 HG23 VAL 84 2HG2 VAL 84 -4.550 0.266 -2.138 473 H ASN 85 H ASN 85 -4.885 -4.332 -0.230 474 HA ASN 85 HA ASN 85 -2.441 -5.274 1.126 475 HB2 ASN 85 2HB ASN 85 -5.406 -5.869 1.182 476 HB3 ASN 85 3HB ASN 85 -4.291 -7.118 1.749 477 HD21 ASN 85 2HD2 ASN 85 -4.801 -3.726 3.939 478 HD22 ASN 85 1HD2 ASN 85 -5.124 -3.706 2.205 479 H GLN 86 H GLN 86 -4.710 -6.448 -1.413 480 HA GLN 86 HA GLN 86 -3.358 -8.852 -2.058 481 HB2 GLN 86 2HB GLN 86 -5.302 -6.878 -3.341 482 HB3 GLN 86 3HB GLN 86 -4.678 -8.197 -4.221 483 HG2 GLN 86 2HG GLN 86 -6.480 -8.238 -1.806 484 HG3 GLN 86 3HG GLN 86 -6.799 -8.918 -3.393 485 HE21 GLN 86 2HE2 GLN 86 -5.065 -12.000 -2.602 486 HE22 GLN 86 1HE2 GLN 86 -5.085 -10.862 -3.950 487 H ALA 87 H ALA 87 -2.693 -5.525 -2.995 488 HA ALA 87 HA ALA 87 -1.391 -5.913 -5.482 489 HB1 ALA 87 1HB ALA 87 -1.017 -3.745 -3.370 490 HB2 ALA 87 2HB ALA 87 -0.554 -3.642 -5.081 491 HB3 ALA 87 3HB ALA 87 -2.269 -3.766 -4.638 492 H LEU 88 H LEU 88 -0.113 -6.200 -2.171 493 HA LEU 88 HA LEU 88 2.485 -7.134 -3.349 494 HB2 LEU 88 2HB LEU 88 3.728 -6.123 -1.816 495 HB3 LEU 88 3HB LEU 88 2.599 -4.898 -2.343 496 HG LEU 88 HG LEU 88 2.821 -4.474 -0.088 497 HD11 LEU 88 1HD1 LEU 88 0.785 -4.920 1.067 498 HD12 LEU 88 2HD1 LEU 88 0.432 -6.319 0.051 499 HD13 LEU 88 3HD1 LEU 88 0.398 -4.677 -0.644 500 HD21 LEU 88 3HD2 LEU 88 2.546 -7.389 0.701 501 HD22 LEU 88 1HD2 LEU 88 3.025 -6.013 1.697 502 HD23 LEU 88 2HD2 LEU 88 4.091 -6.537 0.379 503 H LYS 89 H LYS 89 -0.169 -8.204 -1.579 504 HA LYS 89 HA LYS 89 0.725 -10.013 0.277 505 HB2 LYS 89 2HB LYS 89 -1.588 -9.743 -0.182 506 HB3 LYS 89 3HB LYS 89 -1.402 -10.289 -1.858 507 HG2 LYS 89 2HG LYS 89 -0.872 -12.518 -1.198 508 HG3 LYS 89 3HG LYS 89 -0.640 -12.101 0.470 509 HD2 LYS 89 2HD LYS 89 -3.250 -11.826 -1.036 510 HD3 LYS 89 3HD LYS 89 -2.779 -13.275 -0.120 511 HE2 LYS 89 2HE LYS 89 -2.659 -11.914 1.953 512 HE3 LYS 89 3HE LYS 89 -3.178 -10.483 1.041 513 HZ1 LYS 89 3HZ LYS 89 -4.764 -12.964 1.371 514 HZ2 LYS 89 1HZ LYS 89 -5.245 -11.608 0.547 515 HZ3 LYS 89 2HZ LYS 89 -5.019 -11.547 2.180 516 H GLU 90 H GLU 90 0.917 -10.402 -3.268 517 HA GLU 90 HA GLU 90 1.480 -13.162 -2.961 518 HB2 GLU 90 2HB GLU 90 1.194 -11.351 -5.358 519 HB3 GLU 90 3HB GLU 90 1.248 -13.087 -5.371 520 HG2 GLU 90 2HG GLU 90 -0.791 -13.063 -3.805 521 HG3 GLU 90 3HG GLU 90 -0.919 -11.344 -4.157 522 H GLU 91 H GLU 91 3.352 -10.673 -2.490 523 HA GLU 91 HA GLU 91 5.926 -11.677 -3.595 524 HB2 GLU 91 2HB GLU 91 5.079 -9.683 -4.739 525 HB3 GLU 91 3HB GLU 91 4.757 -8.893 -3.216 526 HG2 GLU 91 2HG GLU 91 6.548 -7.837 -4.059 527 HG3 GLU 91 3HG GLU 91 7.207 -8.822 -2.756 528 H ILE 92 H ILE 92 4.543 -9.550 -0.986 529 HA ILE 92 HA ILE 92 6.014 -11.102 1.097 530 HB ILE 92 HB ILE 92 5.164 -8.227 1.435 531 HG12 ILE 92 2HG1 ILE 92 6.561 -8.105 -0.584 532 HG13 ILE 92 3HG1 ILE 92 7.159 -7.248 0.783 533 HG21 ILE 92 1HG2 ILE 92 5.760 -9.475 3.434 534 HG22 ILE 92 2HG2 ILE 92 7.336 -9.893 2.735 535 HG23 ILE 92 3HG2 ILE 92 6.952 -8.205 3.127 536 HD11 ILE 92 3HD1 ILE 92 8.896 -8.934 1.195 537 HD12 ILE 92 1HD1 ILE 92 8.222 -9.973 -0.080 538 HD13 ILE 92 2HD1 ILE 92 8.945 -8.408 -0.496 539 H LYS 93 H LYS 93 4.549 -11.955 2.675 540 HA LYS 93 HA LYS 93 1.712 -11.337 2.183 541 HB2 LYS 93 2HB LYS 93 3.037 -13.335 3.942 542 HB3 LYS 93 3HB LYS 93 1.298 -13.253 3.730 543 HG2 LYS 93 2HG LYS 93 1.553 -13.781 1.326 544 HG3 LYS 93 3HG LYS 93 3.313 -13.948 1.554 545 HD2 LYS 93 2HD LYS 93 2.927 -15.731 3.229 546 HD3 LYS 93 3HD LYS 93 1.179 -15.538 3.048 547 HE2 LYS 93 2HE LYS 93 1.361 -16.221 0.657 548 HE3 LYS 93 3HE LYS 93 3.099 -16.483 0.872 549 HZ1 LYS 93 3HZ LYS 93 2.597 -18.161 2.533 550 HZ2 LYS 93 1HZ LYS 93 1.780 -18.546 1.155 551 HZ3 LYS 93 2HZ LYS 93 0.975 -17.873 2.414 552 H GLU 94 H GLU 94 3.867 -10.033 4.472 553 HA GLU 94 HA GLU 94 2.501 -10.576 6.817 554 HB2 GLU 94 2HB GLU 94 4.941 -9.252 5.816 555 HB3 GLU 94 3HB GLU 94 4.485 -8.732 7.373 556 HG2 GLU 94 2HG GLU 94 6.036 -10.622 7.503 557 HG3 GLU 94 3HG GLU 94 4.488 -10.962 8.271 558 H MET 95 H MET 95 0.586 -9.036 5.330 559 HA MET 95 HA MET 95 0.499 -6.349 6.193 560 HB2 MET 95 2HB MET 95 -1.743 -8.097 5.148 561 HB3 MET 95 3HB MET 95 -1.885 -6.374 5.459 562 HG2 MET 95 2HG MET 95 -1.476 -6.484 3.182 563 HG3 MET 95 3HG MET 95 0.016 -5.926 3.910 564 HE1 MET 95 3HE MET 95 -1.866 -8.795 2.047 565 HE2 MET 95 1HE MET 95 -0.675 -10.122 2.071 566 HE3 MET 95 2HE MET 95 -1.461 -9.620 3.572 567 H HIS 96 H HIS 96 0.473 -8.578 8.421 568 HA HIS 96 HA HIS 96 -1.508 -7.443 10.282 569 HB2 HIS 96 2HB HIS 96 -0.732 -9.620 10.837 570 HB3 HIS 96 3HB HIS 96 0.956 -9.179 10.563 571 HD1 HIS 96 1HD HIS 96 -1.832 -8.170 13.087 572 HD2 HIS 96 2HD HIS 96 2.332 -8.521 12.649 573 HE1 HIS 96 1HE HIS 96 -0.815 -7.528 15.345 574 H GLY 97 H GLY 97 1.774 -6.845 9.316 575 HA2 GLY 97 2HA GLY 97 2.369 -4.734 11.284 576 HA3 GLY 97 3HA GLY 97 3.392 -5.342 9.996 577 H LEU 98 H LEU 98 0.969 -4.840 8.120 578 HA LEU 98 HA LEU 98 2.046 -2.241 7.279 579 HB2 LEU 98 2HB LEU 98 0.458 -4.301 5.807 580 HB3 LEU 98 3HB LEU 98 0.703 -2.657 5.234 581 HG LEU 98 HG LEU 98 3.215 -2.979 5.785 582 HD11 LEU 98 1HD1 LEU 98 2.521 -5.900 5.530 583 HD12 LEU 98 2HD1 LEU 98 3.221 -5.079 6.962 584 HD13 LEU 98 3HD1 LEU 98 4.134 -5.179 5.467 585 HD21 LEU 98 3HD2 LEU 98 2.328 -2.691 3.638 586 HD22 LEU 98 1HD2 LEU 98 1.928 -4.433 3.492 587 HD23 LEU 98 2HD2 LEU 98 3.632 -3.888 3.587 588 H ARG 99 H ARG 99 1.314 -0.476 7.679 589 HA ARG 99 HA ARG 99 -1.440 0.068 8.722 590 HB2 ARG 99 2HB ARG 99 0.737 0.626 9.936 591 HB3 ARG 99 3HB ARG 99 0.917 1.942 8.759 592 HG2 ARG 99 2HG ARG 99 -1.486 2.618 9.343 593 HG3 ARG 99 3HG ARG 99 -1.453 1.400 10.616 594 HD2 ARG 99 2HD ARG 99 0.381 3.780 10.334 595 HD3 ARG 99 3HD ARG 99 -0.987 3.609 11.450 596 HE ARG 99 HE ARG 99 0.358 1.593 12.381 597 HH11 ARG 99 1HH1 ARG 99 1.825 4.638 11.384 598 HH12 ARG 99 2HH1 ARG 99 3.250 4.367 12.349 599 HH21 ARG 99 2HH2 ARG 99 3.491 2.491 13.496 600 HH22 ARG 99 1HH2 ARG 99 2.163 1.376 13.664 601 H ILE 100 H ILE 100 -2.800 0.364 7.000 602 HA ILE 100 HA ILE 100 -1.848 2.082 4.744 603 HB ILE 100 HB ILE 100 -4.048 -0.011 4.503 604 HG12 ILE 100 2HG1 ILE 100 -1.070 -0.508 4.263 605 HG13 ILE 100 3HG1 ILE 100 -2.300 -1.311 5.267 606 HG21 ILE 100 1HG2 ILE 100 -3.515 0.099 2.105 607 HG22 ILE 100 2HG2 ILE 100 -3.960 1.662 2.705 608 HG23 ILE 100 3HG2 ILE 100 -2.246 1.299 2.428 609 HD11 ILE 100 3HD1 ILE 100 -1.906 -2.856 3.564 610 HD12 ILE 100 1HD1 ILE 100 -3.423 -2.029 3.124 611 HD13 ILE 100 2HD1 ILE 100 -1.904 -1.614 2.299 612 H PHE 101 H PHE 101 -2.765 3.433 3.791 613 HA PHE 101 HA PHE 101 -5.176 4.765 4.928 614 HB2 PHE 101 2HB PHE 101 -2.413 5.719 4.118 615 HB3 PHE 101 3HB PHE 101 -3.715 6.763 4.537 616 HD1 PHE 101 1HD PHE 101 -1.108 4.560 5.768 617 HD2 PHE 101 2HD PHE 101 -4.540 6.894 6.935 618 HE1 PHE 101 1HE PHE 101 -0.374 4.446 8.108 619 HE2 PHE 101 2HE PHE 101 -3.787 6.803 9.299 620 HZ PHE 101 HZ PHE 101 -1.690 5.605 9.899 621 H THR 102 H THR 102 -6.630 5.198 3.387 622 HA THR 102 HA THR 102 -5.951 5.457 0.463 623 HB THR 102 HB THR 102 -7.925 3.963 0.018 624 HG1 THR 102 1HG THR 102 -9.082 3.696 1.764 625 HG21 THR 102 1HG2 THR 102 -5.767 2.511 1.591 626 HG22 THR 102 2HG2 THR 102 -5.617 3.039 -0.101 627 HG23 THR 102 3HG2 THR 102 -6.833 1.826 0.349 628 H SER 103 H SER 103 -7.446 6.449 -0.714 629 HA SER 103 HA SER 103 -10.005 7.308 0.291 630 HB2 SER 103 2HB SER 103 -9.211 9.798 -0.235 631 HB3 SER 103 3HB SER 103 -9.088 9.098 1.372 632 HG SER 103 HG SER 103 -7.209 10.078 0.968 633 H VAL 104 H VAL 104 -10.953 8.905 -1.428 634 HA VAL 104 HA VAL 104 -9.824 8.321 -4.135 635 HB VAL 104 HB VAL 104 -11.705 6.903 -3.928 636 HG11 VAL 104 1HG1 VAL 104 -13.390 9.272 -3.189 637 HG12 VAL 104 2HG1 VAL 104 -13.962 7.644 -3.637 638 HG13 VAL 104 3HG1 VAL 104 -12.989 7.836 -2.180 639 HG21 VAL 104 3HG2 VAL 104 -13.140 7.655 -5.759 640 HG22 VAL 104 1HG2 VAL 104 -12.426 9.282 -5.649 641 HG23 VAL 104 2HG2 VAL 104 -11.440 7.869 -6.072 642 HA PRO 105 HA PRO 105 -10.151 12.764 -4.377 643 HB2 PRO 105 2HB PRO 105 -9.066 13.169 -6.821 644 HB3 PRO 105 3HB PRO 105 -8.073 12.451 -5.518 645 HG2 PRO 105 2HG PRO 105 -9.502 11.029 -7.748 646 HG3 PRO 105 3HG PRO 105 -7.829 10.757 -7.178 647 HD2 PRO 105 2HD PRO 105 -9.962 9.264 -6.375 648 HD3 PRO 105 3HD PRO 105 -8.491 9.474 -5.438 649 H LYS 106 H LYS 106 -11.921 13.716 -4.538 650 HA LYS 106 HA LYS 106 -14.011 13.084 -6.557 651 HB2 LYS 106 2HB LYS 106 -13.626 12.014 -3.849 652 HB3 LYS 106 3HB LYS 106 -15.064 12.946 -3.844 653 HG2 LYS 106 2HG LYS 106 -14.410 10.661 -5.768 654 HG3 LYS 106 3HG LYS 106 -15.372 10.518 -4.294 655 HD2 LYS 106 2HD LYS 106 -17.052 12.088 -5.257 656 HD3 LYS 106 3HD LYS 106 -16.124 12.115 -6.775 657 HE2 LYS 106 2HE LYS 106 -16.351 9.605 -6.885 658 HE3 LYS 106 3HE LYS 106 -17.395 9.670 -5.452 659 HZ1 LYS 106 3HZ LYS 106 -18.917 11.064 -6.720 660 HZ2 LYS 106 1HZ LYS 106 -18.671 9.634 -7.531 661 HZ3 LYS 106 2HZ LYS 106 -17.939 11.001 -8.044 662 H ARG 107 H ARG 107 -12.447 15.435 -6.139 663 HA ARG 107 HA ARG 107 -13.940 17.273 -4.382 664 HB2 ARG 107 2HB ARG 107 -11.148 17.345 -5.575 665 HB3 ARG 107 3HB ARG 107 -11.813 18.561 -4.489 666 HG2 ARG 107 2HG ARG 107 -12.122 16.837 -2.732 667 HG3 ARG 107 3HG ARG 107 -11.431 15.621 -3.803 668 HD2 ARG 107 2HD ARG 107 -9.875 18.093 -2.998 669 HD3 ARG 107 3HD ARG 107 -9.921 16.658 -1.986 670 HE ARG 107 HE ARG 107 -8.754 16.863 -4.723 671 HH11 ARG 107 1HH1 ARG 107 -8.682 15.132 -1.609 672 HH12 ARG 107 2HH1 ARG 107 -7.703 13.862 -2.279 673 HH21 ARG 107 2HH2 ARG 107 -6.939 13.961 -4.238 674 HH22 ARG 107 1HH2 ARG 107 -7.484 15.157 -5.426 Start of MODEL 2 1 H1 ALA 27 H1 ALA 27 10.492 5.936 8.563 2 H2 ALA 27 H2 ALA 27 9.959 5.217 9.953 3 H3 ALA 27 H3 ALA 27 10.089 4.332 8.560 4 HA ALA 27 HA ALA 27 12.303 5.521 10.055 5 HB1 ALA 27 1HB ALA 27 12.939 3.264 10.668 6 HB2 ALA 27 2HB ALA 27 11.255 3.515 11.143 7 HB3 ALA 27 3HB ALA 27 11.644 2.568 9.692 8 H THR 28 H THR 28 14.389 4.136 9.221 9 HA THR 28 HA THR 28 14.908 5.179 6.611 10 HB THR 28 HB THR 28 16.516 3.087 8.048 11 HG1 THR 28 1HG THR 28 16.280 4.671 9.481 12 HG21 THR 28 1HG2 THR 28 17.289 5.288 6.087 13 HG22 THR 28 2HG2 THR 28 17.344 3.533 5.782 14 HG23 THR 28 3HG2 THR 28 18.434 4.255 6.969 15 H GLN 29 H GLN 29 14.876 4.301 4.610 16 HA GLN 29 HA GLN 29 13.273 2.341 3.753 17 HB2 GLN 29 2HB GLN 29 15.457 3.867 2.633 18 HB3 GLN 29 3HB GLN 29 15.537 2.225 1.970 19 HG2 GLN 29 2HG GLN 29 13.329 2.291 1.153 20 HG3 GLN 29 3HG GLN 29 12.909 3.688 2.144 21 HE21 GLN 29 2HE2 GLN 29 13.044 5.292 -0.982 22 HE22 GLN 29 1HE2 GLN 29 12.028 4.362 0.153 23 H THR 30 H THR 30 13.226 0.254 3.124 24 HA THR 30 HA THR 30 15.506 -1.541 3.740 25 HB THR 30 HB THR 30 13.806 -3.368 3.947 26 HG1 THR 30 1HG THR 30 11.727 -2.183 4.692 27 HG21 THR 30 1HG2 THR 30 13.241 -2.762 6.243 28 HG22 THR 30 2HG2 THR 30 13.583 -1.050 5.900 29 HG23 THR 30 3HG2 THR 30 14.895 -2.249 5.884 30 H GLU 31 H GLU 31 15.138 -3.726 2.270 31 HA GLU 31 HA GLU 31 15.072 -2.897 -0.546 32 HB2 GLU 31 2HB GLU 31 15.288 -5.540 0.931 33 HB3 GLU 31 3HB GLU 31 14.974 -5.485 -0.798 34 HG2 GLU 31 2HG GLU 31 17.036 -4.188 -1.175 35 HG3 GLU 31 3HG GLU 31 17.362 -4.185 0.566 36 H GLY 32 H GLY 32 12.767 -4.380 1.746 37 HA2 GLY 32 2HA GLY 32 10.757 -5.049 -0.176 38 HA3 GLY 32 3HA GLY 32 10.527 -4.848 1.555 39 H GLU 33 H GLU 33 11.213 -2.045 1.833 40 HA GLU 33 HA GLU 33 9.061 -0.530 1.242 41 HB2 GLU 33 2HB GLU 33 11.349 -0.146 2.454 42 HB3 GLU 33 3HB GLU 33 11.877 0.559 0.965 43 HG2 GLU 33 2HG GLU 33 9.396 1.405 2.410 44 HG3 GLU 33 3HG GLU 33 10.963 1.974 2.904 45 H LEU 34 H LEU 34 11.881 -0.819 -0.936 46 HA LEU 34 HA LEU 34 10.862 0.816 -3.043 47 HB2 LEU 34 2HB LEU 34 12.893 -1.411 -3.349 48 HB3 LEU 34 3HB LEU 34 12.783 0.101 -4.246 49 HG LEU 34 HG LEU 34 13.664 -0.293 -1.387 50 HD11 LEU 34 1HD1 LEU 34 15.161 0.562 -3.915 51 HD12 LEU 34 2HD1 LEU 34 15.274 -1.030 -3.121 52 HD13 LEU 34 3HD1 LEU 34 15.874 0.422 -2.302 53 HD21 LEU 34 3HD2 LEU 34 14.343 2.118 -1.477 54 HD22 LEU 34 1HD2 LEU 34 12.587 1.899 -1.551 55 HD23 LEU 34 2HD2 LEU 34 13.488 2.276 -3.030 56 H ARG 35 H ARG 35 11.151 -2.685 -2.662 57 HA ARG 35 HA ARG 35 10.070 -3.534 -5.165 58 HB2 ARG 35 2HB ARG 35 11.315 -5.008 -3.661 59 HB3 ARG 35 3HB ARG 35 10.097 -4.835 -2.407 60 HG2 ARG 35 2HG ARG 35 8.932 -6.529 -3.196 61 HG3 ARG 35 3HG ARG 35 8.683 -5.751 -4.733 62 HD2 ARG 35 2HD ARG 35 9.780 -7.658 -5.433 63 HD3 ARG 35 3HD ARG 35 11.179 -6.611 -5.254 64 HE ARG 35 HE ARG 35 10.215 -8.769 -3.415 65 HH11 ARG 35 1HH1 ARG 35 13.036 -6.840 -4.350 66 HH12 ARG 35 2HH1 ARG 35 13.964 -7.470 -3.016 67 HH21 ARG 35 2HH2 ARG 35 13.199 -9.030 -1.788 68 HH22 ARG 35 1HH2 ARG 35 11.498 -9.511 -1.810 69 H VAL 36 H VAL 36 8.452 -2.989 -2.045 70 HA VAL 36 HA VAL 36 5.833 -3.718 -2.945 71 HB VAL 36 HB VAL 36 6.855 -2.041 -0.604 72 HG11 VAL 36 1HG1 VAL 36 3.971 -2.652 -1.328 73 HG12 VAL 36 2HG1 VAL 36 4.506 -2.235 0.324 74 HG13 VAL 36 3HG1 VAL 36 4.706 -1.076 -0.990 75 HG21 VAL 36 3HG2 VAL 36 7.221 -4.511 -0.533 76 HG22 VAL 36 1HG2 VAL 36 6.091 -3.984 0.716 77 HG23 VAL 36 2HG2 VAL 36 5.488 -4.768 -0.761 78 H THR 37 H THR 37 7.720 -0.606 -2.855 79 HA THR 37 HA THR 37 5.580 1.117 -3.660 80 HB THR 37 HB THR 37 8.541 1.315 -4.105 81 HG1 THR 37 1HG THR 37 8.117 1.442 -1.972 82 HG21 THR 37 1HG2 THR 37 8.217 3.762 -4.402 83 HG22 THR 37 2HG2 THR 37 6.464 3.461 -4.526 84 HG23 THR 37 3HG2 THR 37 7.602 2.778 -5.720 85 H GLN 38 H GLN 38 7.912 -0.784 -5.494 86 HA GLN 38 HA GLN 38 7.193 0.304 -8.070 87 HB2 GLN 38 2HB GLN 38 8.816 -2.025 -7.078 88 HB3 GLN 38 3HB GLN 38 8.396 -1.955 -8.787 89 HG2 GLN 38 2HG GLN 38 9.681 -0.082 -9.204 90 HG3 GLN 38 3HG GLN 38 9.422 0.602 -7.595 91 HE21 GLN 38 2HE2 GLN 38 12.222 -0.827 -6.126 92 HE22 GLN 38 1HE2 GLN 38 11.033 0.458 -6.128 93 H ILE 39 H ILE 39 5.885 -2.553 -6.344 94 HA ILE 39 HA ILE 39 4.211 -3.196 -8.694 95 HB ILE 39 HB ILE 39 3.871 -4.286 -5.880 96 HG12 ILE 39 2HG1 ILE 39 5.533 -5.412 -8.185 97 HG13 ILE 39 3HG1 ILE 39 6.176 -4.761 -6.686 98 HG21 ILE 39 1HG2 ILE 39 2.949 -5.152 -8.674 99 HG22 ILE 39 2HG2 ILE 39 2.735 -6.126 -7.204 100 HG23 ILE 39 3HG2 ILE 39 1.928 -4.585 -7.332 101 HD11 ILE 39 3HD1 ILE 39 6.252 -7.111 -6.494 102 HD12 ILE 39 1HD1 ILE 39 4.937 -6.562 -5.423 103 HD13 ILE 39 2HD1 ILE 39 4.576 -7.316 -6.996 104 H LEU 40 H LEU 40 3.849 -1.302 -5.699 105 HA LEU 40 HA LEU 40 1.067 -0.742 -5.963 106 HB2 LEU 40 2HB LEU 40 3.423 0.785 -4.771 107 HB3 LEU 40 3HB LEU 40 1.810 1.478 -4.825 108 HG LEU 40 HG LEU 40 2.583 -1.176 -3.547 109 HD11 LEU 40 1HD1 LEU 40 3.454 0.814 -2.366 110 HD12 LEU 40 2HD1 LEU 40 2.230 -0.021 -1.400 111 HD13 LEU 40 3HD1 LEU 40 1.808 1.481 -2.259 112 HD21 LEU 40 3HD2 LEU 40 -0.089 0.242 -3.632 113 HD22 LEU 40 1HD2 LEU 40 0.313 -0.986 -2.406 114 HD23 LEU 40 2HD2 LEU 40 0.285 -1.426 -4.109 115 H LYS 41 H LYS 41 3.792 0.857 -7.613 116 HA LYS 41 HA LYS 41 2.321 2.797 -9.019 117 HB2 LYS 41 2HB LYS 41 4.689 1.288 -10.181 118 HB3 LYS 41 3HB LYS 41 4.057 2.872 -10.675 119 HG2 LYS 41 2HG LYS 41 4.355 3.277 -8.003 120 HG3 LYS 41 3HG LYS 41 5.605 2.087 -8.284 121 HD2 LYS 41 2HD LYS 41 6.655 3.536 -9.993 122 HD3 LYS 41 3HD LYS 41 5.340 4.723 -9.764 123 HE2 LYS 41 2HE LYS 41 5.939 4.866 -7.344 124 HE3 LYS 41 3HE LYS 41 7.277 3.756 -7.620 125 HZ1 LYS 41 3HZ LYS 41 7.967 6.124 -7.670 126 HZ2 LYS 41 1HZ LYS 41 6.999 6.395 -8.977 127 HZ3 LYS 41 2HZ LYS 41 8.296 5.401 -9.100 128 H GLU 42 H GLU 42 2.408 -0.686 -9.666 129 HA GLU 42 HA GLU 42 1.152 -0.398 -12.208 130 HB2 GLU 42 2HB GLU 42 2.459 -2.358 -10.516 131 HB3 GLU 42 3HB GLU 42 1.523 -2.964 -11.714 132 HG2 GLU 42 2HG GLU 42 2.861 -1.432 -13.225 133 HG3 GLU 42 3HG GLU 42 3.986 -1.164 -11.919 134 H LYS 43 H LYS 43 0.346 -1.652 -8.921 135 HA LYS 43 HA LYS 43 -2.185 -2.429 -10.019 136 HB2 LYS 43 2HB LYS 43 -1.512 -2.129 -7.071 137 HB3 LYS 43 3HB LYS 43 -2.961 -2.839 -7.802 138 HG2 LYS 43 2HG LYS 43 -0.225 -4.027 -7.907 139 HG3 LYS 43 3HG LYS 43 -1.604 -4.581 -6.988 140 HD2 LYS 43 2HD LYS 43 -2.883 -5.194 -8.881 141 HD3 LYS 43 3HD LYS 43 -1.753 -4.419 -9.982 142 HE2 LYS 43 2HE LYS 43 0.008 -6.072 -9.322 143 HE3 LYS 43 3HE LYS 43 -1.176 -6.868 -8.268 144 HZ1 LYS 43 3HZ LYS 43 -1.057 -7.970 -10.425 145 HZ2 LYS 43 1HZ LYS 43 -1.420 -6.583 -11.219 146 HZ3 LYS 43 2HZ LYS 43 -2.542 -7.284 -10.251 147 H PHE 44 H PHE 44 -0.854 0.513 -8.759 148 HA PHE 44 HA PHE 44 -3.455 1.789 -9.278 149 HB2 PHE 44 2HB PHE 44 -1.634 2.542 -6.944 150 HB3 PHE 44 3HB PHE 44 -3.237 3.187 -7.271 151 HD1 PHE 44 1HD PHE 44 -1.357 0.407 -5.771 152 HD2 PHE 44 2HD PHE 44 -5.275 1.789 -6.940 153 HE1 PHE 44 1HE PHE 44 -2.391 -1.425 -4.450 154 HE2 PHE 44 2HE PHE 44 -6.302 -0.014 -5.578 155 HZ PHE 44 HZ PHE 44 -4.865 -1.625 -4.371 156 HA PRO 45 HA PRO 45 -0.354 4.263 -11.653 157 HB2 PRO 45 2HB PRO 45 -1.486 3.845 -14.147 158 HB3 PRO 45 3HB PRO 45 -0.131 2.902 -13.458 159 HG2 PRO 45 2HG PRO 45 -3.081 2.207 -13.450 160 HG3 PRO 45 3HG PRO 45 -1.688 1.145 -13.842 161 HD2 PRO 45 2HD PRO 45 -2.771 0.999 -11.425 162 HD3 PRO 45 3HD PRO 45 -1.044 1.025 -11.528 163 H ARG 46 H ARG 46 -3.963 4.045 -11.605 164 HA ARG 46 HA ARG 46 -4.193 6.721 -12.684 165 HB2 ARG 46 2HB ARG 46 -6.271 5.035 -11.233 166 HB3 ARG 46 3HB ARG 46 -6.589 6.472 -12.184 167 HG2 ARG 46 2HG ARG 46 -5.497 3.848 -13.279 168 HG3 ARG 46 3HG ARG 46 -7.150 4.439 -13.410 169 HD2 ARG 46 2HD ARG 46 -6.418 6.340 -14.789 170 HD3 ARG 46 3HD ARG 46 -4.731 5.862 -14.579 171 HE ARG 46 HE ARG 46 -4.925 4.284 -16.203 172 HH11 ARG 46 1HH1 ARG 46 -8.229 5.253 -15.401 173 HH12 ARG 46 2HH1 ARG 46 -8.893 4.209 -16.638 174 HH21 ARG 46 2HH2 ARG 46 -7.614 3.136 -18.024 175 HH22 ARG 46 1HH2 ARG 46 -5.897 2.979 -17.732 176 H ALA 47 H ALA 47 -3.351 5.702 -9.604 177 HA ALA 47 HA ALA 47 -4.699 7.314 -7.831 178 HB1 ALA 47 1HB ALA 47 -1.803 6.375 -7.742 179 HB2 ALA 47 2HB ALA 47 -2.747 6.916 -6.353 180 HB3 ALA 47 3HB ALA 47 -3.233 5.453 -7.215 181 H THR 48 H THR 48 -4.403 9.207 -6.773 182 HA THR 48 HA THR 48 -2.823 11.345 -8.145 183 HB THR 48 HB THR 48 -3.957 12.885 -6.675 184 HG1 THR 48 1HG THR 48 -5.433 12.077 -5.161 185 HG21 THR 48 1HG2 THR 48 -6.250 12.623 -7.469 186 HG22 THR 48 2HG2 THR 48 -5.982 10.897 -7.800 187 HG23 THR 48 3HG2 THR 48 -5.143 12.125 -8.767 188 H ALA 49 H ALA 49 -2.958 9.490 -5.074 189 HA ALA 49 HA ALA 49 -0.120 10.368 -4.617 190 HB1 ALA 49 1HB ALA 49 -1.659 11.434 -3.003 191 HB2 ALA 49 2HB ALA 49 -2.307 9.847 -2.556 192 HB3 ALA 49 3HB ALA 49 -0.610 10.249 -2.195 193 H ILE 50 H ILE 50 1.358 8.760 -4.359 194 HA ILE 50 HA ILE 50 0.621 6.260 -3.024 195 HB ILE 50 HB ILE 50 2.156 4.997 -4.734 196 HG12 ILE 50 2HG1 ILE 50 0.849 6.939 -6.677 197 HG13 ILE 50 3HG1 ILE 50 2.546 7.027 -6.200 198 HG21 ILE 50 1HG2 ILE 50 0.244 4.000 -5.753 199 HG22 ILE 50 2HG2 ILE 50 -0.180 4.448 -4.101 200 HG23 ILE 50 3HG2 ILE 50 -0.741 5.444 -5.466 201 HD11 ILE 50 3HD1 ILE 50 2.420 5.863 -8.301 202 HD12 ILE 50 1HD1 ILE 50 2.869 4.692 -7.048 203 HD13 ILE 50 2HD1 ILE 50 1.208 4.732 -7.687 204 H LYS 51 H LYS 51 2.008 6.174 -1.351 205 HA LYS 51 HA LYS 51 4.824 5.887 -1.949 206 HB2 LYS 51 2HB LYS 51 5.573 7.451 -0.189 207 HB3 LYS 51 3HB LYS 51 5.112 8.166 -1.697 208 HG2 LYS 51 2HG LYS 51 3.335 8.113 0.778 209 HG3 LYS 51 3HG LYS 51 4.500 9.386 0.439 210 HD2 LYS 51 2HD LYS 51 1.980 8.768 -1.120 211 HD3 LYS 51 3HD LYS 51 2.342 10.197 -0.191 212 HE2 LYS 51 2HE LYS 51 3.853 9.372 -2.726 213 HE3 LYS 51 3HE LYS 51 2.475 10.460 -2.688 214 HZ1 LYS 51 3HZ LYS 51 4.488 11.762 -2.674 215 HZ2 LYS 51 1HZ LYS 51 5.093 11.002 -1.365 216 HZ3 LYS 51 2HZ LYS 51 3.749 11.934 -1.223 217 H VAL 52 H VAL 52 6.081 5.119 -0.301 218 HA VAL 52 HA VAL 52 4.703 3.490 1.802 219 HB VAL 52 HB VAL 52 7.141 2.751 0.118 220 HG11 VAL 52 1HG1 VAL 52 5.414 1.037 1.947 221 HG12 VAL 52 2HG1 VAL 52 6.738 0.455 0.919 222 HG13 VAL 52 3HG1 VAL 52 7.084 1.553 2.249 223 HG21 VAL 52 3HG2 VAL 52 4.279 1.775 -0.252 224 HG22 VAL 52 1HG2 VAL 52 5.204 2.787 -1.393 225 HG23 VAL 52 2HG2 VAL 52 5.729 1.149 -1.090 226 H THR 53 H THR 53 5.604 3.417 3.823 227 HA THR 53 HA THR 53 8.479 4.262 4.210 228 HB THR 53 HB THR 53 6.061 4.598 6.081 229 HG1 THR 53 1HG THR 53 6.067 6.181 4.525 230 HG21 THR 53 1HG2 THR 53 7.657 5.873 7.491 231 HG22 THR 53 2HG2 THR 53 8.988 5.335 6.415 232 HG23 THR 53 3HG2 THR 53 8.046 4.169 7.369 233 H ASP 54 H ASP 54 9.728 2.668 4.956 234 HA ASP 54 HA ASP 54 8.544 0.205 6.119 235 HB2 ASP 54 2HB ASP 54 10.696 0.134 4.724 236 HB3 ASP 54 3HB ASP 54 11.400 1.240 5.827 237 H ILE 55 H ILE 55 8.425 -0.278 8.134 238 HA ILE 55 HA ILE 55 9.505 1.459 10.280 239 HB ILE 55 HB ILE 55 7.342 1.334 11.507 240 HG12 ILE 55 2HG1 ILE 55 6.373 0.031 8.950 241 HG13 ILE 55 3HG1 ILE 55 6.150 -0.430 10.588 242 HG21 ILE 55 1HG2 ILE 55 7.092 2.777 8.854 243 HG22 ILE 55 2HG2 ILE 55 6.382 3.237 10.410 244 HG23 ILE 55 3HG2 ILE 55 8.131 3.323 10.194 245 HD11 ILE 55 3HD1 ILE 55 4.064 0.333 9.644 246 HD12 ILE 55 1HD1 ILE 55 4.562 1.499 10.882 247 HD13 ILE 55 2HD1 ILE 55 4.791 1.883 9.151 248 H SER 56 H SER 56 10.469 -0.900 9.168 249 HA SER 56 HA SER 56 10.397 -2.865 11.381 250 HB2 SER 56 2HB SER 56 8.709 -3.465 9.798 251 HB3 SER 56 3HB SER 56 9.875 -3.502 8.492 252 HG SER 56 HG SER 56 10.279 -5.030 10.865 253 H GLY 57 H GLY 57 12.494 -1.387 11.532 254 HA2 GLY 57 2HA GLY 57 14.688 -1.803 9.822 255 HA3 GLY 57 3HA GLY 57 14.796 -1.481 11.554 256 H GLY 58 H GLY 58 13.441 -4.018 12.299 257 HA2 GLY 58 2HA GLY 58 15.799 -5.767 12.291 258 HA3 GLY 58 3HA GLY 58 14.306 -5.981 13.197 259 H CYS 59 H CYS 59 13.065 -5.627 10.198 260 HA CYS 59 HA CYS 59 13.550 -8.411 9.235 261 HB2 CYS 59 2HB CYS 59 11.752 -8.402 11.058 262 HB3 CYS 59 3HB CYS 59 10.771 -7.399 10.002 263 HG CYS 59 HG CYS 59 10.049 -9.991 10.037 264 H GLY 60 H GLY 60 11.954 -5.298 8.736 265 HA2 GLY 60 2HA GLY 60 11.105 -4.221 7.051 266 HA3 GLY 60 3HA GLY 60 11.987 -5.241 5.867 267 H ALA 61 H ALA 61 9.543 -6.049 8.348 268 HA ALA 61 HA ALA 61 7.717 -7.271 6.331 269 HB1 ALA 61 1HB ALA 61 7.721 -7.280 9.382 270 HB2 ALA 61 2HB ALA 61 6.591 -8.176 8.345 271 HB3 ALA 61 3HB ALA 61 8.319 -8.576 8.324 272 H MET 62 H MET 62 7.778 -4.594 8.706 273 HA MET 62 HA MET 62 4.957 -3.944 8.171 274 HB2 MET 62 2HB MET 62 6.890 -2.612 10.119 275 HB3 MET 62 3HB MET 62 5.188 -2.297 9.922 276 HG2 MET 62 2HG MET 62 5.146 -3.551 11.698 277 HG3 MET 62 3HG MET 62 4.827 -4.768 10.455 278 HE1 MET 62 3HE MET 62 6.592 -4.000 13.462 279 HE2 MET 62 1HE MET 62 8.251 -4.660 13.343 280 HE3 MET 62 2HE MET 62 7.776 -3.224 12.389 281 H TYR 63 H TYR 63 4.220 -2.175 7.266 282 HA TYR 63 HA TYR 63 6.018 0.031 6.586 283 HB2 TYR 63 2HB TYR 63 4.329 -1.348 4.509 284 HB3 TYR 63 3HB TYR 63 5.058 0.107 4.242 285 HD1 TYR 63 HD1 TYR 63 5.383 -3.480 4.633 286 HD2 TYR 63 HD2 TYR 63 7.764 0.052 3.908 287 HE1 TYR 63 HE1 TYR 63 7.281 -4.904 4.156 288 HE2 TYR 63 HE2 TYR 63 9.734 -1.383 3.631 289 HH TYR 63 HH TYR 63 9.627 -4.895 4.058 290 H GLU 64 H GLU 64 5.102 1.943 6.401 291 HA GLU 64 HA GLU 64 2.169 2.321 6.842 292 HB2 GLU 64 2HB GLU 64 3.436 3.337 8.587 293 HB3 GLU 64 3HB GLU 64 4.566 4.085 7.470 294 HG2 GLU 64 2HG GLU 64 2.872 5.479 6.642 295 HG3 GLU 64 3HG GLU 64 1.613 4.676 7.521 296 H ILE 65 H ILE 65 0.958 2.893 5.113 297 HA ILE 65 HA ILE 65 2.362 3.742 2.595 298 HB ILE 65 HB ILE 65 0.261 1.584 2.946 299 HG12 ILE 65 2HG1 ILE 65 3.180 1.162 2.196 300 HG13 ILE 65 3HG1 ILE 65 2.530 0.940 3.804 301 HG21 ILE 65 1HG2 ILE 65 0.072 2.717 0.747 302 HG22 ILE 65 2HG2 ILE 65 1.803 2.452 0.451 303 HG23 ILE 65 3HG2 ILE 65 0.668 1.088 0.531 304 HD11 ILE 65 3HD1 ILE 65 0.969 -0.803 2.938 305 HD12 ILE 65 1HD1 ILE 65 1.756 -0.667 1.345 306 HD13 ILE 65 2HD1 ILE 65 2.686 -1.207 2.742 307 H LYS 66 H LYS 66 1.365 5.254 1.407 308 HA LYS 66 HA LYS 66 -1.483 6.067 2.029 309 HB2 LYS 66 2HB LYS 66 0.988 7.749 1.519 310 HB3 LYS 66 3HB LYS 66 -0.614 8.365 1.132 311 HG2 LYS 66 2HG LYS 66 -1.343 8.311 3.404 312 HG3 LYS 66 3HG LYS 66 0.084 7.405 3.933 313 HD2 LYS 66 2HD LYS 66 1.534 9.314 3.239 314 HD3 LYS 66 3HD LYS 66 0.102 10.212 2.706 315 HE2 LYS 66 2HE LYS 66 -0.761 10.198 5.040 316 HE3 LYS 66 3HE LYS 66 0.697 9.338 5.566 317 HZ1 LYS 66 3HZ LYS 66 0.707 12.020 4.276 318 HZ2 LYS 66 1HZ LYS 66 2.017 11.258 4.877 319 HZ3 LYS 66 2HZ LYS 66 0.803 11.785 5.882 320 H ILE 67 H ILE 67 -2.819 5.807 0.434 321 HA ILE 67 HA ILE 67 -1.930 6.142 -2.334 322 HB ILE 67 HB ILE 67 -4.013 4.137 -1.541 323 HG12 ILE 67 2HG1 ILE 67 -1.028 3.887 -1.590 324 HG13 ILE 67 3HG1 ILE 67 -2.218 3.135 -0.614 325 HG21 ILE 67 1HG2 ILE 67 -2.506 4.667 -4.123 326 HG22 ILE 67 2HG2 ILE 67 -3.671 3.341 -3.871 327 HG23 ILE 67 3HG2 ILE 67 -4.212 4.995 -3.835 328 HD11 ILE 67 3HD1 ILE 67 -1.458 2.437 -3.491 329 HD12 ILE 67 1HD1 ILE 67 -1.041 1.550 -2.027 330 HD13 ILE 67 2HD1 ILE 67 -2.745 1.617 -2.577 331 H GLU 68 H GLU 68 -3.636 7.122 -3.721 332 HA GLU 68 HA GLU 68 -6.380 7.512 -2.710 333 HB2 GLU 68 2HB GLU 68 -5.172 9.530 -1.879 334 HB3 GLU 68 3HB GLU 68 -4.524 9.758 -3.395 335 HG2 GLU 68 2HG GLU 68 -6.739 10.310 -4.370 336 HG3 GLU 68 3HG GLU 68 -7.551 9.870 -2.889 337 H SER 69 H SER 69 -7.791 7.271 -4.468 338 HA SER 69 HA SER 69 -6.851 7.830 -7.204 339 HB2 SER 69 2HB SER 69 -5.886 5.548 -6.619 340 HB3 SER 69 3HB SER 69 -7.524 4.982 -6.414 341 HG SER 69 HG SER 69 -6.925 4.529 -8.509 342 H GLU 70 H GLU 70 -8.514 8.139 -8.613 343 HA GLU 70 HA GLU 70 -11.167 8.499 -7.796 344 HB2 GLU 70 2HB GLU 70 -11.506 9.193 -9.990 345 HB3 GLU 70 3HB GLU 70 -9.836 9.580 -9.664 346 HG2 GLU 70 2HG GLU 70 -9.259 7.310 -10.764 347 HG3 GLU 70 3HG GLU 70 -10.924 7.283 -11.351 348 H GLU 71 H GLU 71 -9.766 5.523 -8.301 349 HA GLU 71 HA GLU 71 -12.122 4.101 -9.327 350 HB2 GLU 71 2HB GLU 71 -10.777 2.198 -9.421 351 HB3 GLU 71 3HB GLU 71 -9.748 3.537 -9.917 352 HG2 GLU 71 2HG GLU 71 -9.100 3.556 -7.332 353 HG3 GLU 71 3HG GLU 71 -9.718 1.915 -7.366 354 H PHE 72 H PHE 72 -10.867 4.987 -6.169 355 HA PHE 72 HA PHE 72 -11.831 2.641 -4.819 356 HB2 PHE 72 2HB PHE 72 -10.521 5.249 -4.105 357 HB3 PHE 72 3HB PHE 72 -11.154 4.295 -2.821 358 HD1 PHE 72 1HD PHE 72 -8.252 5.216 -3.786 359 HD2 PHE 72 2HD PHE 72 -10.405 1.489 -3.548 360 HE1 PHE 72 1HE PHE 72 -6.119 4.002 -3.428 361 HE2 PHE 72 2HE PHE 72 -8.267 0.280 -3.240 362 HZ PHE 72 HZ PHE 72 -6.118 1.533 -3.207 363 H LYS 73 H LYS 73 -13.985 4.657 -6.008 364 HA LYS 73 HA LYS 73 -15.179 5.753 -3.615 365 HB2 LYS 73 2HB LYS 73 -16.836 6.803 -5.174 366 HB3 LYS 73 3HB LYS 73 -15.162 7.221 -5.381 367 HG2 LYS 73 2HG LYS 73 -15.416 6.816 -7.561 368 HG3 LYS 73 3HG LYS 73 -15.398 5.101 -7.168 369 HD2 LYS 73 2HD LYS 73 -17.963 5.357 -6.792 370 HD3 LYS 73 3HD LYS 73 -17.779 6.906 -7.649 371 HE2 LYS 73 2HE LYS 73 -16.718 5.745 -9.562 372 HE3 LYS 73 3HE LYS 73 -16.795 4.219 -8.680 373 HZ1 LYS 73 3HZ LYS 73 -19.082 5.807 -9.716 374 HZ2 LYS 73 1HZ LYS 73 -19.294 4.598 -8.655 375 HZ3 LYS 73 2HZ LYS 73 -18.648 4.262 -10.140 376 H GLU 74 H GLU 74 -16.315 2.975 -5.559 377 HA GLU 74 HA GLU 74 -18.782 2.923 -3.906 378 HB2 GLU 74 2HB GLU 74 -18.832 2.573 -6.387 379 HB3 GLU 74 3HB GLU 74 -18.050 1.012 -6.145 380 HG2 GLU 74 2HG GLU 74 -19.952 0.167 -4.892 381 HG3 GLU 74 3HG GLU 74 -20.608 1.790 -4.676 382 H LYS 75 H LYS 75 -16.537 2.680 -2.392 383 HA LYS 75 HA LYS 75 -16.484 -0.148 -1.452 384 HB2 LYS 75 2HB LYS 75 -14.076 1.675 -1.878 385 HB3 LYS 75 3HB LYS 75 -14.024 0.009 -1.333 386 HG2 LYS 75 2HG LYS 75 -14.851 0.980 -4.102 387 HG3 LYS 75 3HG LYS 75 -13.306 0.293 -3.646 388 HD2 LYS 75 2HD LYS 75 -14.039 -1.845 -3.624 389 HD3 LYS 75 3HD LYS 75 -15.619 -1.443 -2.965 390 HE2 LYS 75 2HE LYS 75 -16.235 -2.124 -5.077 391 HE3 LYS 75 3HE LYS 75 -16.189 -0.369 -5.234 392 HZ1 LYS 75 3HZ LYS 75 -15.112 -1.339 -7.093 393 HZ2 LYS 75 1HZ LYS 75 -14.134 -2.289 -6.147 394 HZ3 LYS 75 2HZ LYS 75 -13.925 -0.655 -6.196 395 H ARG 76 H ARG 76 -16.520 -0.432 0.674 396 HA ARG 76 HA ARG 76 -16.441 1.624 2.626 397 HB2 ARG 76 2HB ARG 76 -15.833 -1.329 3.016 398 HB3 ARG 76 3HB ARG 76 -16.468 -0.175 4.102 399 HG2 ARG 76 2HG ARG 76 -18.532 0.002 2.494 400 HG3 ARG 76 3HG ARG 76 -17.911 -1.576 1.919 401 HD2 ARG 76 2HD ARG 76 -18.033 -2.478 4.152 402 HD3 ARG 76 3HD ARG 76 -18.591 -0.913 4.788 403 HE ARG 76 HE ARG 76 -20.440 -1.571 2.804 404 HH11 ARG 76 1HH1 ARG 76 -19.412 -3.351 5.677 405 HH12 ARG 76 2HH1 ARG 76 -21.067 -3.882 5.952 406 HH21 ARG 76 2HH2 ARG 76 -22.629 -3.406 4.687 407 HH22 ARG 76 1HH2 ARG 76 -22.404 -2.418 3.233 408 H THR 77 H THR 77 -14.860 1.444 4.437 409 HA THR 77 HA THR 77 -12.167 1.892 3.897 410 HB THR 77 HB THR 77 -13.467 0.610 6.296 411 HG1 THR 77 1HG THR 77 -14.433 2.440 6.103 412 HG21 THR 77 1HG2 THR 77 -11.623 1.768 7.589 413 HG22 THR 77 2HG2 THR 77 -10.827 2.128 6.036 414 HG23 THR 77 3HG2 THR 77 -11.047 0.442 6.571 415 H VAL 78 H VAL 78 -13.416 -1.221 5.122 416 HA VAL 78 HA VAL 78 -11.058 -2.720 4.718 417 HB VAL 78 HB VAL 78 -12.896 -3.431 6.113 418 HG11 VAL 78 1HG1 VAL 78 -14.752 -2.647 4.619 419 HG12 VAL 78 2HG1 VAL 78 -14.488 -4.094 3.613 420 HG13 VAL 78 3HG1 VAL 78 -14.984 -4.265 5.303 421 HG21 VAL 78 3HG2 VAL 78 -13.011 -5.795 5.589 422 HG22 VAL 78 1HG2 VAL 78 -12.428 -5.503 3.941 423 HG23 VAL 78 2HG2 VAL 78 -11.375 -5.181 5.343 424 H GLN 79 H GLN 79 -13.645 -1.984 2.425 425 HA GLN 79 HA GLN 79 -12.681 -3.902 0.450 426 HB2 GLN 79 2HB GLN 79 -14.726 -1.668 0.131 427 HB3 GLN 79 3HB GLN 79 -14.369 -2.953 -1.028 428 HG2 GLN 79 2HG GLN 79 -14.865 -4.480 1.136 429 HG3 GLN 79 3HG GLN 79 -15.900 -3.111 1.538 430 HE21 GLN 79 2HE2 GLN 79 -18.207 -3.922 -1.129 431 HE22 GLN 79 1HE2 GLN 79 -17.721 -2.582 -0.136 432 H GLN 80 H GLN 80 -12.055 -0.470 1.008 433 HA GLN 80 HA GLN 80 -10.454 -0.111 -1.411 434 HB2 GLN 80 2HB GLN 80 -10.513 1.374 1.258 435 HB3 GLN 80 3HB GLN 80 -9.522 1.837 -0.131 436 HG2 GLN 80 2HG GLN 80 -11.564 2.162 -1.501 437 HG3 GLN 80 3HG GLN 80 -12.561 1.708 -0.136 438 HE21 GLN 80 2HE2 GLN 80 -12.608 5.374 -0.061 439 HE22 GLN 80 1HE2 GLN 80 -13.140 4.133 -1.184 440 H HIS 81 H HIS 81 -9.643 -0.731 2.073 441 HA HIS 81 HA HIS 81 -6.852 -0.935 1.774 442 HB2 HIS 81 2HB HIS 81 -8.752 -2.366 3.651 443 HB3 HIS 81 3HB HIS 81 -7.003 -2.446 3.816 444 HD1 HIS 81 1HD HIS 81 -8.870 -1.354 6.051 445 HD2 HIS 81 2HD HIS 81 -6.629 0.888 3.296 446 HE1 HIS 81 1HE HIS 81 -8.530 0.972 7.109 447 H GLN 82 H GLN 82 -9.252 -3.591 1.467 448 HA GLN 82 HA GLN 82 -7.713 -5.821 1.103 449 HB2 GLN 82 2HB GLN 82 -10.078 -5.949 1.158 450 HB3 GLN 82 3HB GLN 82 -10.259 -4.875 -0.227 451 HG2 GLN 82 2HG GLN 82 -10.791 -7.168 -0.793 452 HG3 GLN 82 3HG GLN 82 -9.459 -6.577 -1.763 453 HE21 GLN 82 2HE2 GLN 82 -8.295 -9.908 -0.989 454 HE22 GLN 82 1HE2 GLN 82 -9.247 -8.985 -2.157 455 H MET 83 H MET 83 -8.339 -3.353 -1.425 456 HA MET 83 HA MET 83 -7.135 -4.813 -3.574 457 HB2 MET 83 2HB MET 83 -7.418 -1.801 -3.208 458 HB3 MET 83 3HB MET 83 -7.256 -2.648 -4.748 459 HG2 MET 83 2HG MET 83 -9.403 -3.648 -4.499 460 HG3 MET 83 3HG MET 83 -9.589 -3.122 -2.848 461 HE1 MET 83 3HE MET 83 -8.457 -1.131 -6.049 462 HE2 MET 83 1HE MET 83 -9.948 -1.906 -6.645 463 HE3 MET 83 2HE MET 83 -9.902 -0.157 -6.377 464 H VAL 84 H VAL 84 -5.947 -2.383 -1.391 465 HA VAL 84 HA VAL 84 -3.247 -2.115 -2.420 466 HB VAL 84 HB VAL 84 -4.046 -1.468 0.414 467 HG11 VAL 84 1HG1 VAL 84 -2.104 -0.343 -1.568 468 HG12 VAL 84 2HG1 VAL 84 -2.675 0.683 -0.229 469 HG13 VAL 84 3HG1 VAL 84 -1.831 -0.863 0.100 470 HG21 VAL 84 3HG2 VAL 84 -4.886 0.736 -0.285 471 HG22 VAL 84 1HG2 VAL 84 -4.878 0.162 -1.975 472 HG23 VAL 84 2HG2 VAL 84 -5.921 -0.594 -0.733 473 H ASN 85 H ASN 85 -4.749 -4.087 0.058 474 HA ASN 85 HA ASN 85 -2.446 -5.268 1.338 475 HB2 ASN 85 2HB ASN 85 -5.412 -5.794 1.103 476 HB3 ASN 85 3HB ASN 85 -4.373 -7.117 1.651 477 HD21 ASN 85 2HD2 ASN 85 -5.044 -3.982 4.141 478 HD22 ASN 85 1HD2 ASN 85 -5.163 -3.732 2.394 479 H GLN 86 H GLN 86 -4.691 -6.498 -1.256 480 HA GLN 86 HA GLN 86 -3.169 -8.808 -1.728 481 HB2 GLN 86 2HB GLN 86 -5.601 -7.883 -2.494 482 HB3 GLN 86 3HB GLN 86 -4.748 -7.605 -3.999 483 HG2 GLN 86 2HG GLN 86 -4.843 -10.217 -2.449 484 HG3 GLN 86 3HG GLN 86 -5.925 -9.828 -3.780 485 HE21 GLN 86 2HE2 GLN 86 -2.838 -11.826 -4.964 486 HE22 GLN 86 1HE2 GLN 86 -3.903 -12.089 -3.570 487 H ALA 87 H ALA 87 -2.670 -5.551 -2.945 488 HA ALA 87 HA ALA 87 -1.407 -5.969 -5.426 489 HB1 ALA 87 1HB ALA 87 -0.526 -3.689 -5.053 490 HB2 ALA 87 2HB ALA 87 -2.236 -3.802 -4.586 491 HB3 ALA 87 3HB ALA 87 -0.960 -3.780 -3.342 492 H LEU 88 H LEU 88 -0.055 -6.092 -2.164 493 HA LEU 88 HA LEU 88 2.508 -7.080 -3.377 494 HB2 LEU 88 2HB LEU 88 3.826 -5.980 -1.925 495 HB3 LEU 88 3HB LEU 88 2.661 -4.791 -2.460 496 HG LEU 88 HG LEU 88 3.030 -4.335 -0.203 497 HD11 LEU 88 1HD1 LEU 88 0.485 -5.957 -0.133 498 HD12 LEU 88 2HD1 LEU 88 0.633 -4.320 -0.788 499 HD13 LEU 88 3HD1 LEU 88 0.936 -4.615 0.933 500 HD21 LEU 88 3HD2 LEU 88 3.191 -5.799 1.608 501 HD22 LEU 88 1HD2 LEU 88 4.138 -6.499 0.288 502 HD23 LEU 88 2HD2 LEU 88 2.538 -7.186 0.733 503 H LYS 89 H LYS 89 -0.076 -8.161 -1.600 504 HA LYS 89 HA LYS 89 1.014 -9.746 0.448 505 HB2 LYS 89 2HB LYS 89 -1.337 -9.498 0.188 506 HB3 LYS 89 3HB LYS 89 -1.328 -10.171 -1.446 507 HG2 LYS 89 2HG LYS 89 -1.081 -12.348 -0.743 508 HG3 LYS 89 3HG LYS 89 -0.274 -11.934 0.740 509 HD2 LYS 89 2HD LYS 89 -2.476 -12.736 1.311 510 HD3 LYS 89 3HD LYS 89 -2.457 -10.985 1.614 511 HE2 LYS 89 2HE LYS 89 -3.645 -10.540 -0.455 512 HE3 LYS 89 3HE LYS 89 -3.546 -12.248 -0.931 513 HZ1 LYS 89 3HZ LYS 89 -4.953 -12.795 0.967 514 HZ2 LYS 89 1HZ LYS 89 -5.710 -11.664 0.038 515 HZ3 LYS 89 2HZ LYS 89 -5.017 -11.222 1.437 516 H GLU 90 H GLU 90 1.124 -10.374 -3.070 517 HA GLU 90 HA GLU 90 1.922 -13.059 -2.632 518 HB2 GLU 90 2HB GLU 90 1.612 -11.146 -4.935 519 HB3 GLU 90 3HB GLU 90 2.415 -12.661 -5.196 520 HG2 GLU 90 2HG GLU 90 0.458 -13.922 -4.384 521 HG3 GLU 90 3HG GLU 90 -0.359 -12.420 -3.952 522 H GLU 91 H GLU 91 3.620 -10.106 -2.401 523 HA GLU 91 HA GLU 91 6.354 -11.210 -2.810 524 HB2 GLU 91 2HB GLU 91 5.063 -8.495 -2.751 525 HB3 GLU 91 3HB GLU 91 6.634 -8.581 -2.032 526 HG2 GLU 91 2HG GLU 91 5.907 -9.365 -4.873 527 HG3 GLU 91 3HG GLU 91 6.720 -7.883 -4.343 528 H ILE 92 H ILE 92 4.412 -9.525 -0.295 529 HA ILE 92 HA ILE 92 5.825 -10.954 1.897 530 HB ILE 92 HB ILE 92 5.374 -7.941 1.784 531 HG12 ILE 92 2HG1 ILE 92 7.887 -9.644 1.756 532 HG13 ILE 92 3HG1 ILE 92 7.329 -8.526 0.516 533 HG21 ILE 92 1HG2 ILE 92 6.289 -7.855 4.056 534 HG22 ILE 92 2HG2 ILE 92 4.856 -8.850 4.055 535 HG23 ILE 92 3HG2 ILE 92 6.455 -9.628 4.088 536 HD11 ILE 92 3HD1 ILE 92 8.440 -7.788 3.233 537 HD12 ILE 92 1HD1 ILE 92 9.141 -7.472 1.638 538 HD13 ILE 92 2HD1 ILE 92 7.658 -6.625 2.127 539 H LYS 93 H LYS 93 4.230 -11.753 3.325 540 HA LYS 93 HA LYS 93 1.477 -10.985 2.569 541 HB2 LYS 93 2HB LYS 93 2.314 -13.164 4.414 542 HB3 LYS 93 3HB LYS 93 0.731 -12.996 3.673 543 HG2 LYS 93 2HG LYS 93 1.740 -13.433 1.452 544 HG3 LYS 93 3HG LYS 93 3.316 -13.676 2.242 545 HD2 LYS 93 2HD LYS 93 2.284 -15.540 3.597 546 HD3 LYS 93 3HD LYS 93 0.774 -15.286 2.703 547 HE2 LYS 93 2HE LYS 93 1.775 -17.040 1.534 548 HE3 LYS 93 3HE LYS 93 2.159 -15.605 0.563 549 HZ1 LYS 93 3HZ LYS 93 4.007 -16.817 2.559 550 HZ2 LYS 93 1HZ LYS 93 4.376 -15.614 1.515 551 HZ3 LYS 93 2HZ LYS 93 4.056 -17.126 0.938 552 H GLU 94 H GLU 94 3.484 -10.296 5.295 553 HA GLU 94 HA GLU 94 1.555 -10.673 7.243 554 HB2 GLU 94 2HB GLU 94 4.111 -10.842 7.326 555 HB3 GLU 94 3HB GLU 94 4.111 -9.124 7.755 556 HG2 GLU 94 2HG GLU 94 2.567 -9.654 9.657 557 HG3 GLU 94 3HG GLU 94 2.509 -11.327 9.066 558 H MET 95 H MET 95 -0.175 -9.255 6.241 559 HA MET 95 HA MET 95 0.036 -6.436 6.702 560 HB2 MET 95 2HB MET 95 -2.319 -8.162 5.929 561 HB3 MET 95 3HB MET 95 -2.461 -6.420 6.218 562 HG2 MET 95 2HG MET 95 -1.851 -6.133 4.091 563 HG3 MET 95 3HG MET 95 -0.223 -6.446 4.658 564 HE1 MET 95 3HE MET 95 -0.279 -6.504 2.002 565 HE2 MET 95 1HE MET 95 1.060 -7.411 2.750 566 HE3 MET 95 2HE MET 95 0.176 -8.088 1.370 567 H HIS 96 H HIS 96 -0.168 -8.584 9.155 568 HA HIS 96 HA HIS 96 -1.443 -6.887 11.135 569 HB2 HIS 96 2HB HIS 96 -0.729 -9.028 11.864 570 HB3 HIS 96 3HB HIS 96 0.850 -8.867 11.095 571 HD1 HIS 96 1HD HIS 96 -0.855 -8.109 14.399 572 HD2 HIS 96 2HD HIS 96 2.763 -7.442 12.359 573 HE1 HIS 96 1HE HIS 96 0.768 -7.142 16.109 574 H GLY 97 H GLY 97 1.491 -6.695 9.301 575 HA2 GLY 97 2HA GLY 97 2.770 -4.610 10.853 576 HA3 GLY 97 3HA GLY 97 3.301 -5.311 9.289 577 H LEU 98 H LEU 98 0.464 -4.466 8.277 578 HA LEU 98 HA LEU 98 1.716 -2.023 7.105 579 HB2 LEU 98 2HB LEU 98 -0.605 -3.699 6.088 580 HB3 LEU 98 3HB LEU 98 0.167 -2.326 5.280 581 HG LEU 98 HG LEU 98 1.382 -5.058 5.868 582 HD11 LEU 98 1HD1 LEU 98 1.514 -3.363 3.364 583 HD12 LEU 98 2HD1 LEU 98 0.214 -4.560 3.641 584 HD13 LEU 98 3HD1 LEU 98 1.934 -5.078 3.583 585 HD21 LEU 98 3HD2 LEU 98 3.453 -4.140 4.847 586 HD22 LEU 98 1HD2 LEU 98 3.154 -3.545 6.465 587 HD23 LEU 98 2HD2 LEU 98 2.737 -2.499 5.059 588 H ARG 99 H ARG 99 0.942 -0.100 7.120 589 HA ARG 99 HA ARG 99 -1.583 0.549 8.645 590 HB2 ARG 99 2HB ARG 99 0.727 0.983 9.759 591 HB3 ARG 99 3HB ARG 99 0.886 2.299 8.601 592 HG2 ARG 99 2HG ARG 99 -1.432 3.092 9.385 593 HG3 ARG 99 3HG ARG 99 -1.302 1.887 10.679 594 HD2 ARG 99 2HD ARG 99 0.840 2.949 11.405 595 HD3 ARG 99 3HD ARG 99 0.633 4.133 10.102 596 HE ARG 99 HE ARG 99 -1.546 3.844 12.103 597 HH11 ARG 99 1HH1 ARG 99 1.192 5.881 11.094 598 HH12 ARG 99 2HH1 ARG 99 0.537 7.217 12.048 599 HH21 ARG 99 2HH2 ARG 99 -1.222 7.108 13.107 600 HH22 ARG 99 1HH2 ARG 99 -2.251 5.666 13.150 601 H ILE 100 H ILE 100 -2.959 0.882 6.987 602 HA ILE 100 HA ILE 100 -1.897 2.353 4.605 603 HB ILE 100 HB ILE 100 -4.194 0.449 4.272 604 HG12 ILE 100 2HG1 ILE 100 -1.375 -0.615 4.626 605 HG13 ILE 100 3HG1 ILE 100 -2.839 -1.024 5.547 606 HG21 ILE 100 1HG2 ILE 100 -3.123 1.939 2.443 607 HG22 ILE 100 2HG2 ILE 100 -1.730 0.815 2.539 608 HG23 ILE 100 3HG2 ILE 100 -3.336 0.238 2.067 609 HD11 ILE 100 3HD1 ILE 100 -2.235 -1.779 2.662 610 HD12 ILE 100 1HD1 ILE 100 -2.509 -2.842 4.048 611 HD13 ILE 100 2HD1 ILE 100 -3.853 -1.881 3.387 612 H PHE 101 H PHE 101 -2.681 3.792 3.703 613 HA PHE 101 HA PHE 101 -5.125 5.126 4.765 614 HB2 PHE 101 2HB PHE 101 -2.307 5.972 3.961 615 HB3 PHE 101 3HB PHE 101 -3.559 7.088 4.249 616 HD1 PHE 101 1HD PHE 101 -1.029 5.034 5.716 617 HD2 PHE 101 2HD PHE 101 -4.677 7.157 6.592 618 HE1 PHE 101 1HE PHE 101 -0.487 4.960 8.113 619 HE2 PHE 101 2HE PHE 101 -4.102 7.139 9.012 620 HZ PHE 101 HZ PHE 101 -2.003 6.057 9.783 621 H THR 102 H THR 102 -6.650 5.129 3.219 622 HA THR 102 HA THR 102 -5.936 5.679 0.325 623 HB THR 102 HB THR 102 -8.034 4.358 -0.198 624 HG1 THR 102 1HG THR 102 -9.202 3.796 1.405 625 HG21 THR 102 1HG2 THR 102 -7.059 2.105 0.041 626 HG22 THR 102 2HG2 THR 102 -5.865 2.729 1.203 627 HG23 THR 102 3HG2 THR 102 -5.840 3.271 -0.490 628 H SER 103 H SER 103 -7.237 6.916 -0.784 629 HA SER 103 HA SER 103 -9.767 7.889 0.291 630 HB2 SER 103 2HB SER 103 -8.924 10.272 -0.398 631 HB3 SER 103 3HB SER 103 -8.606 9.657 1.212 632 HG SER 103 HG SER 103 -6.905 10.604 -0.547 633 H VAL 104 H VAL 104 -10.800 9.420 -1.368 634 HA VAL 104 HA VAL 104 -9.993 8.739 -4.153 635 HB VAL 104 HB VAL 104 -11.523 7.023 -3.539 636 HG11 VAL 104 1HG1 VAL 104 -13.820 7.304 -3.037 637 HG12 VAL 104 2HG1 VAL 104 -12.858 8.102 -1.790 638 HG13 VAL 104 3HG1 VAL 104 -13.673 9.077 -3.047 639 HG21 VAL 104 3HG2 VAL 104 -11.563 8.043 -5.825 640 HG22 VAL 104 1HG2 VAL 104 -12.965 7.093 -5.398 641 HG23 VAL 104 2HG2 VAL 104 -13.056 8.879 -5.383 642 HA PRO 105 HA PRO 105 -10.902 13.059 -4.462 643 HB2 PRO 105 2HB PRO 105 -10.138 13.529 -7.033 644 HB3 PRO 105 3HB PRO 105 -9.014 13.147 -5.701 645 HG2 PRO 105 2HG PRO 105 -10.158 11.247 -7.793 646 HG3 PRO 105 3HG PRO 105 -8.452 11.394 -7.270 647 HD2 PRO 105 2HD PRO 105 -10.100 9.511 -6.265 648 HD3 PRO 105 3HD PRO 105 -8.810 10.252 -5.321 649 H LYS 106 H LYS 106 -12.987 13.532 -4.310 650 HA LYS 106 HA LYS 106 -14.978 12.745 -6.354 651 HB2 LYS 106 2HB LYS 106 -14.375 11.209 -4.357 652 HB3 LYS 106 3HB LYS 106 -15.111 12.434 -3.317 653 HG2 LYS 106 2HG LYS 106 -17.161 12.218 -4.590 654 HG3 LYS 106 3HG LYS 106 -16.439 10.966 -5.631 655 HD2 LYS 106 2HD LYS 106 -16.022 9.620 -3.467 656 HD3 LYS 106 3HD LYS 106 -17.100 10.777 -2.660 657 HE2 LYS 106 2HE LYS 106 -18.876 10.185 -4.371 658 HE3 LYS 106 3HE LYS 106 -17.783 8.966 -5.035 659 HZ1 LYS 106 3HZ LYS 106 -19.245 7.903 -3.527 660 HZ2 LYS 106 1HZ LYS 106 -18.956 8.989 -2.312 661 HZ3 LYS 106 2HZ LYS 106 -17.783 7.941 -2.757 662 H ARG 107 H ARG 107 -14.186 15.280 -6.516 663 HA ARG 107 HA ARG 107 -15.748 17.101 -4.773 664 HB2 ARG 107 2HB ARG 107 -13.342 17.471 -5.075 665 HB3 ARG 107 3HB ARG 107 -13.565 17.648 -6.821 666 HG2 ARG 107 2HG ARG 107 -14.909 19.674 -6.483 667 HG3 ARG 107 3HG ARG 107 -14.886 19.439 -4.735 668 HD2 ARG 107 2HD ARG 107 -13.311 21.151 -5.219 669 HD3 ARG 107 3HD ARG 107 -12.362 19.711 -4.810 670 HE ARG 107 HE ARG 107 -12.715 19.687 -7.611 671 HH11 ARG 107 1HH1 ARG 107 -11.055 21.901 -5.405 672 HH12 ARG 107 2HH1 ARG 107 -10.015 22.450 -6.705 673 HH21 ARG 107 2HH2 ARG 107 -10.106 21.482 -8.717 674 HH22 ARG 107 1HH2 ARG 107 -11.439 20.371 -9.056 Start of MODEL 3 1 H1 ALA 27 H1 ALA 27 15.404 8.975 9.114 2 H2 ALA 27 H2 ALA 27 14.901 10.272 8.226 3 H3 ALA 27 H3 ALA 27 16.290 9.466 7.839 4 HA ALA 27 HA ALA 27 13.577 8.370 7.668 5 HB1 ALA 27 1HB ALA 27 15.491 9.054 5.395 6 HB2 ALA 27 2HB ALA 27 13.870 8.374 5.242 7 HB3 ALA 27 3HB ALA 27 14.069 10.014 5.864 8 H THR 28 H THR 28 13.621 6.264 6.333 9 HA THR 28 HA THR 28 16.055 4.621 6.789 10 HB THR 28 HB THR 28 14.843 4.431 8.870 11 HG1 THR 28 1HG THR 28 14.191 2.058 7.521 12 HG21 THR 28 1HG2 THR 28 12.565 4.984 8.240 13 HG22 THR 28 2HG2 THR 28 12.605 3.379 8.984 14 HG23 THR 28 3HG2 THR 28 12.442 3.543 7.223 15 H GLN 29 H GLN 29 16.078 2.660 5.614 16 HA GLN 29 HA GLN 29 13.843 2.237 3.695 17 HB2 GLN 29 2HB GLN 29 16.792 2.283 2.955 18 HB3 GLN 29 3HB GLN 29 15.560 1.504 1.964 19 HG2 GLN 29 2HG GLN 29 15.636 4.420 2.716 20 HG3 GLN 29 3HG GLN 29 16.053 3.731 1.127 21 HE21 GLN 29 2HE2 GLN 29 12.307 4.832 1.638 22 HE22 GLN 29 1HE2 GLN 29 13.748 5.603 2.348 23 H THR 30 H THR 30 13.516 0.337 2.977 24 HA THR 30 HA THR 30 15.349 -1.859 3.595 25 HB THR 30 HB THR 30 13.644 -3.564 3.553 26 HG1 THR 30 1HG THR 30 11.445 -2.855 3.744 27 HG21 THR 30 1HG2 THR 30 12.852 -1.521 5.661 28 HG22 THR 30 2HG2 THR 30 14.221 -2.642 5.823 29 HG23 THR 30 3HG2 THR 30 12.570 -3.264 5.727 30 H GLU 31 H GLU 31 15.433 -3.405 1.690 31 HA GLU 31 HA GLU 31 14.878 -2.259 -0.920 32 HB2 GLU 31 2HB GLU 31 15.532 -5.032 0.127 33 HB3 GLU 31 3HB GLU 31 15.182 -4.734 -1.578 34 HG2 GLU 31 2HG GLU 31 17.024 -2.991 -1.577 35 HG3 GLU 31 3HG GLU 31 17.457 -3.528 0.049 36 H GLY 32 H GLY 32 12.950 -3.928 1.416 37 HA2 GLY 32 2HA GLY 32 10.753 -4.823 -0.150 38 HA3 GLY 32 3HA GLY 32 10.758 -4.478 1.572 39 H GLU 33 H GLU 33 11.322 -1.669 1.594 40 HA GLU 33 HA GLU 33 8.945 -0.368 1.100 41 HB2 GLU 33 2HB GLU 33 11.283 0.177 2.304 42 HB3 GLU 33 3HB GLU 33 11.630 1.030 0.824 43 HG2 GLU 33 2HG GLU 33 9.064 1.502 2.264 44 HG3 GLU 33 3HG GLU 33 10.529 2.121 2.980 45 H LEU 34 H LEU 34 11.769 -0.632 -1.040 46 HA LEU 34 HA LEU 34 10.734 0.822 -3.277 47 HB2 LEU 34 2HB LEU 34 12.758 -1.415 -3.477 48 HB3 LEU 34 3HB LEU 34 12.657 0.073 -4.406 49 HG LEU 34 HG LEU 34 13.533 -0.225 -1.517 50 HD11 LEU 34 1HD1 LEU 34 15.101 0.541 -4.008 51 HD12 LEU 34 2HD1 LEU 34 15.170 -1.029 -3.179 52 HD13 LEU 34 3HD1 LEU 34 15.733 0.435 -2.353 53 HD21 LEU 34 3HD2 LEU 34 12.417 1.947 -1.828 54 HD22 LEU 34 1HD2 LEU 34 13.435 2.283 -3.250 55 HD23 LEU 34 2HD2 LEU 34 14.160 2.168 -1.631 56 H ARG 35 H ARG 35 11.048 -2.664 -2.656 57 HA ARG 35 HA ARG 35 9.923 -3.844 -4.969 58 HB2 ARG 35 2HB ARG 35 11.097 -5.043 -3.221 59 HB3 ARG 35 3HB ARG 35 9.839 -4.659 -2.056 60 HG2 ARG 35 2HG ARG 35 8.653 -6.430 -2.600 61 HG3 ARG 35 3HG ARG 35 8.506 -5.915 -4.271 62 HD2 ARG 35 2HD ARG 35 9.561 -7.999 -4.404 63 HD3 ARG 35 3HD ARG 35 10.873 -6.866 -4.633 64 HE ARG 35 HE ARG 35 10.262 -8.283 -2.027 65 HH11 ARG 35 1HH1 ARG 35 12.738 -7.618 -4.361 66 HH12 ARG 35 2HH1 ARG 35 13.997 -7.727 -3.148 67 HH21 ARG 35 2HH2 ARG 35 13.547 -7.956 -1.042 68 HH22 ARG 35 1HH2 ARG 35 11.924 -8.093 -0.476 69 H VAL 36 H VAL 36 8.313 -2.819 -1.973 70 HA VAL 36 HA VAL 36 5.687 -3.645 -2.811 71 HB VAL 36 HB VAL 36 6.661 -1.870 -0.540 72 HG11 VAL 36 1HG1 VAL 36 4.448 -1.017 -1.011 73 HG12 VAL 36 2HG1 VAL 36 3.797 -2.652 -1.221 74 HG13 VAL 36 3HG1 VAL 36 4.326 -2.089 0.383 75 HG21 VAL 36 3HG2 VAL 36 5.381 -4.644 -0.649 76 HG22 VAL 36 1HG2 VAL 36 7.104 -4.326 -0.413 77 HG23 VAL 36 2HG2 VAL 36 5.946 -3.806 0.817 78 H THR 37 H THR 37 7.431 -0.444 -2.665 79 HA THR 37 HA THR 37 5.301 1.133 -3.667 80 HB THR 37 HB THR 37 8.276 1.536 -3.968 81 HG1 THR 37 1HG THR 37 7.857 1.610 -1.907 82 HG21 THR 37 1HG2 THR 37 5.982 3.503 -4.360 83 HG22 THR 37 2HG2 THR 37 7.189 3.007 -5.576 84 HG23 THR 37 3HG2 THR 37 7.686 3.973 -4.187 85 H GLN 38 H GLN 38 7.811 -0.643 -5.400 86 HA GLN 38 HA GLN 38 7.162 0.288 -8.035 87 HB2 GLN 38 2HB GLN 38 8.738 -1.993 -6.903 88 HB3 GLN 38 3HB GLN 38 8.144 -2.180 -8.539 89 HG2 GLN 38 2HG GLN 38 10.191 -1.332 -8.927 90 HG3 GLN 38 3HG GLN 38 9.214 0.122 -8.863 91 HE21 GLN 38 2HE2 GLN 38 11.000 1.496 -6.095 92 HE22 GLN 38 1HE2 GLN 38 9.621 1.685 -7.155 93 H ILE 39 H ILE 39 5.733 -2.415 -6.156 94 HA ILE 39 HA ILE 39 4.059 -3.200 -8.457 95 HB ILE 39 HB ILE 39 3.886 -4.139 -5.572 96 HG12 ILE 39 2HG1 ILE 39 5.207 -5.440 -8.001 97 HG13 ILE 39 3HG1 ILE 39 6.064 -4.701 -6.659 98 HG21 ILE 39 1HG2 ILE 39 2.635 -5.118 -8.190 99 HG22 ILE 39 2HG2 ILE 39 2.610 -6.039 -6.682 100 HG23 ILE 39 3HG2 ILE 39 1.781 -4.504 -6.745 101 HD11 ILE 39 3HD1 ILE 39 4.453 -7.259 -6.628 102 HD12 ILE 39 1HD1 ILE 39 6.146 -6.984 -6.218 103 HD13 ILE 39 2HD1 ILE 39 4.863 -6.387 -5.131 104 H LEU 40 H LEU 40 3.702 -1.183 -5.528 105 HA LEU 40 HA LEU 40 0.902 -0.682 -5.821 106 HB2 LEU 40 2HB LEU 40 3.206 0.971 -4.673 107 HB3 LEU 40 3HB LEU 40 1.567 1.573 -4.760 108 HG LEU 40 HG LEU 40 2.538 -0.923 -3.299 109 HD11 LEU 40 1HD1 LEU 40 1.448 1.719 -2.243 110 HD12 LEU 40 2HD1 LEU 40 3.155 1.234 -2.274 111 HD13 LEU 40 3HD1 LEU 40 2.007 0.340 -1.265 112 HD21 LEU 40 3HD2 LEU 40 -0.279 0.183 -3.519 113 HD22 LEU 40 1HD2 LEU 40 0.242 -0.940 -2.237 114 HD23 LEU 40 2HD2 LEU 40 0.290 -1.452 -3.917 115 H LYS 41 H LYS 41 3.638 0.878 -7.480 116 HA LYS 41 HA LYS 41 2.126 2.736 -8.967 117 HB2 LYS 41 2HB LYS 41 4.671 1.433 -9.937 118 HB3 LYS 41 3HB LYS 41 3.932 2.941 -10.513 119 HG2 LYS 41 2HG LYS 41 4.003 3.274 -7.750 120 HG3 LYS 41 3HG LYS 41 5.455 2.385 -8.091 121 HD2 LYS 41 2HD LYS 41 6.194 4.169 -9.682 122 HD3 LYS 41 3HD LYS 41 4.700 5.073 -9.304 123 HE2 LYS 41 2HE LYS 41 5.334 4.941 -6.858 124 HE3 LYS 41 3HE LYS 41 6.855 4.192 -7.330 125 HZ1 LYS 41 3HZ LYS 41 5.987 6.935 -8.097 126 HZ2 LYS 41 1HZ LYS 41 7.412 6.242 -8.548 127 HZ3 LYS 41 2HZ LYS 41 7.117 6.565 -6.971 128 H GLU 42 H GLU 42 2.382 -0.785 -9.540 129 HA GLU 42 HA GLU 42 1.224 -0.618 -12.123 130 HB2 GLU 42 2HB GLU 42 2.350 -2.523 -10.234 131 HB3 GLU 42 3HB GLU 42 1.444 -3.162 -11.446 132 HG2 GLU 42 2HG GLU 42 2.929 -2.005 -13.013 133 HG3 GLU 42 3HG GLU 42 3.947 -1.451 -11.698 134 H LYS 43 H LYS 43 0.241 -1.698 -8.839 135 HA LYS 43 HA LYS 43 -2.279 -2.505 -9.930 136 HB2 LYS 43 2HB LYS 43 -1.821 -1.968 -6.977 137 HB3 LYS 43 3HB LYS 43 -3.067 -2.902 -7.803 138 HG2 LYS 43 2HG LYS 43 -0.199 -3.683 -7.509 139 HG3 LYS 43 3HG LYS 43 -1.607 -4.340 -6.707 140 HD2 LYS 43 2HD LYS 43 -2.453 -5.415 -8.593 141 HD3 LYS 43 3HD LYS 43 -1.446 -4.467 -9.686 142 HE2 LYS 43 2HE LYS 43 0.591 -5.565 -8.733 143 HE3 LYS 43 3HE LYS 43 -0.439 -6.556 -7.690 144 HZ1 LYS 43 3HZ LYS 43 -1.391 -7.553 -9.682 145 HZ2 LYS 43 1HZ LYS 43 0.258 -7.683 -9.751 146 HZ3 LYS 43 2HZ LYS 43 -0.527 -6.553 -10.656 147 H PHE 44 H PHE 44 -0.961 0.467 -8.710 148 HA PHE 44 HA PHE 44 -3.484 1.799 -9.378 149 HB2 PHE 44 2HB PHE 44 -1.708 2.553 -7.001 150 HB3 PHE 44 3HB PHE 44 -3.280 3.233 -7.379 151 HD1 PHE 44 1HD PHE 44 -1.531 0.378 -5.785 152 HD2 PHE 44 2HD PHE 44 -5.356 2.027 -6.924 153 HE1 PHE 44 1HE PHE 44 -2.652 -1.173 -4.233 154 HE2 PHE 44 2HE PHE 44 -6.470 0.491 -5.341 155 HZ PHE 44 HZ PHE 44 -5.124 -1.089 -3.983 156 HA PRO 45 HA PRO 45 -0.081 4.148 -11.556 157 HB2 PRO 45 2HB PRO 45 -1.032 3.746 -14.139 158 HB3 PRO 45 3HB PRO 45 0.196 2.727 -13.338 159 HG2 PRO 45 2HG PRO 45 -2.789 2.237 -13.529 160 HG3 PRO 45 3HG PRO 45 -1.458 1.077 -13.832 161 HD2 PRO 45 2HD PRO 45 -2.668 0.989 -11.500 162 HD3 PRO 45 3HD PRO 45 -0.950 0.943 -11.476 163 H ARG 46 H ARG 46 -3.634 4.108 -11.675 164 HA ARG 46 HA ARG 46 -3.725 6.781 -12.836 165 HB2 ARG 46 2HB ARG 46 -5.908 5.117 -11.532 166 HB3 ARG 46 3HB ARG 46 -6.159 6.563 -12.495 167 HG2 ARG 46 2HG ARG 46 -5.114 3.885 -13.500 168 HG3 ARG 46 3HG ARG 46 -6.691 4.616 -13.809 169 HD2 ARG 46 2HD ARG 46 -5.564 6.508 -14.994 170 HD3 ARG 46 3HD ARG 46 -4.010 5.712 -14.740 171 HE ARG 46 HE ARG 46 -4.687 3.876 -16.166 172 HH11 ARG 46 1HH1 ARG 46 -7.203 6.333 -16.242 173 HH12 ARG 46 2HH1 ARG 46 -7.522 6.039 -17.935 174 HH21 ARG 46 2HH2 ARG 46 -6.259 4.619 -19.107 175 HH22 ARG 46 1HH2 ARG 46 -4.938 3.792 -18.303 176 H ALA 47 H ALA 47 -3.108 5.719 -9.701 177 HA ALA 47 HA ALA 47 -4.594 7.228 -7.973 178 HB1 ALA 47 1HB ALA 47 -1.656 6.437 -7.801 179 HB2 ALA 47 2HB ALA 47 -2.660 6.938 -6.433 180 HB3 ALA 47 3HB ALA 47 -3.062 5.461 -7.309 181 H THR 48 H THR 48 -4.369 9.066 -6.766 182 HA THR 48 HA THR 48 -2.841 11.345 -7.951 183 HB THR 48 HB THR 48 -4.166 12.745 -6.480 184 HG1 THR 48 1HG THR 48 -5.643 11.837 -5.122 185 HG21 THR 48 1HG2 THR 48 -5.030 12.146 -8.777 186 HG22 THR 48 2HG2 THR 48 -6.324 12.497 -7.612 187 HG23 THR 48 3HG2 THR 48 -5.948 10.813 -8.054 188 H ALA 49 H ALA 49 -3.140 9.323 -5.013 189 HA ALA 49 HA ALA 49 -0.442 10.355 -4.217 190 HB1 ALA 49 1HB ALA 49 -2.266 11.088 -2.681 191 HB2 ALA 49 2HB ALA 49 -2.631 9.386 -2.345 192 HB3 ALA 49 3HB ALA 49 -1.050 10.052 -1.901 193 H ILE 50 H ILE 50 1.118 8.880 -3.869 194 HA ILE 50 HA ILE 50 0.591 6.210 -2.891 195 HB ILE 50 HB ILE 50 2.260 5.230 -4.678 196 HG12 ILE 50 2HG1 ILE 50 0.788 7.190 -6.487 197 HG13 ILE 50 3HG1 ILE 50 2.460 7.405 -5.961 198 HG21 ILE 50 1HG2 ILE 50 0.486 4.110 -5.777 199 HG22 ILE 50 2HG2 ILE 50 -0.041 4.422 -4.122 200 HG23 ILE 50 3HG2 ILE 50 -0.651 5.424 -5.458 201 HD11 ILE 50 3HD1 ILE 50 3.045 5.206 -6.984 202 HD12 ILE 50 1HD1 ILE 50 1.394 5.104 -7.646 203 HD13 ILE 50 2HD1 ILE 50 2.476 6.408 -8.152 204 H LYS 51 H LYS 51 1.867 6.279 -1.169 205 HA LYS 51 HA LYS 51 4.775 6.303 -1.610 206 HB2 LYS 51 2HB LYS 51 5.224 7.917 0.125 207 HB3 LYS 51 3HB LYS 51 4.366 8.611 -1.233 208 HG2 LYS 51 2HG LYS 51 2.234 8.105 0.402 209 HG3 LYS 51 3HG LYS 51 3.507 8.238 1.616 210 HD2 LYS 51 2HD LYS 51 2.679 10.447 1.393 211 HD3 LYS 51 3HD LYS 51 4.165 10.446 0.426 212 HE2 LYS 51 2HE LYS 51 2.699 9.946 -1.620 213 HE3 LYS 51 3HE LYS 51 1.290 10.150 -0.576 214 HZ1 LYS 51 3HZ LYS 51 2.158 12.446 -0.120 215 HZ2 LYS 51 1HZ LYS 51 1.646 12.195 -1.644 216 HZ3 LYS 51 2HZ LYS 51 3.254 12.235 -1.348 217 H VAL 52 H VAL 52 5.977 5.252 -0.076 218 HA VAL 52 HA VAL 52 4.572 3.643 2.024 219 HB VAL 52 HB VAL 52 6.917 2.758 0.295 220 HG11 VAL 52 1HG1 VAL 52 6.514 0.521 1.122 221 HG12 VAL 52 2HG1 VAL 52 6.806 1.616 2.468 222 HG13 VAL 52 3HG1 VAL 52 5.159 1.082 2.113 223 HG21 VAL 52 3HG2 VAL 52 4.017 1.897 -0.062 224 HG22 VAL 52 1HG2 VAL 52 4.974 2.869 -1.210 225 HG23 VAL 52 2HG2 VAL 52 5.439 1.222 -0.910 226 H THR 53 H THR 53 5.603 3.559 4.003 227 HA THR 53 HA THR 53 8.452 4.497 4.206 228 HB THR 53 HB THR 53 6.124 5.035 6.149 229 HG1 THR 53 1HG THR 53 7.647 7.088 5.081 230 HG21 THR 53 1HG2 THR 53 8.186 4.797 7.405 231 HG22 THR 53 2HG2 THR 53 7.768 6.509 7.319 232 HG23 THR 53 3HG2 THR 53 9.056 5.852 6.273 233 H ASP 54 H ASP 54 9.765 3.175 5.081 234 HA ASP 54 HA ASP 54 8.857 0.606 6.168 235 HB2 ASP 54 2HB ASP 54 10.905 0.421 4.978 236 HB3 ASP 54 3HB ASP 54 11.392 2.004 5.344 237 H ILE 55 H ILE 55 8.509 0.058 8.101 238 HA ILE 55 HA ILE 55 9.609 1.529 10.407 239 HB ILE 55 HB ILE 55 7.428 1.377 11.612 240 HG12 ILE 55 2HG1 ILE 55 6.446 0.557 8.889 241 HG13 ILE 55 3HG1 ILE 55 6.143 -0.223 10.402 242 HG21 ILE 55 1HG2 ILE 55 8.317 3.458 10.545 243 HG22 ILE 55 2HG2 ILE 55 7.308 3.114 9.112 244 HG23 ILE 55 3HG2 ILE 55 6.562 3.432 10.682 245 HD11 ILE 55 3HD1 ILE 55 4.955 2.377 9.307 246 HD12 ILE 55 1HD1 ILE 55 4.105 0.858 9.584 247 HD13 ILE 55 2HD1 ILE 55 4.657 1.810 10.971 248 H SER 56 H SER 56 10.376 -0.936 9.004 249 HA SER 56 HA SER 56 10.803 -2.412 11.497 250 HB2 SER 56 2HB SER 56 9.036 -3.784 10.616 251 HB3 SER 56 3HB SER 56 9.878 -3.912 9.072 252 HG SER 56 HG SER 56 10.640 -4.854 11.655 253 H GLY 57 H GLY 57 12.895 -1.876 11.701 254 HA2 GLY 57 2HA GLY 57 14.900 -2.633 9.653 255 HA3 GLY 57 3HA GLY 57 15.198 -2.059 11.296 256 H GLY 58 H GLY 58 13.123 -4.235 12.113 257 HA2 GLY 58 2HA GLY 58 15.119 -6.220 12.895 258 HA3 GLY 58 3HA GLY 58 13.409 -6.201 13.316 259 H CYS 59 H CYS 59 12.322 -6.199 10.749 260 HA CYS 59 HA CYS 59 13.101 -8.833 9.543 261 HB2 CYS 59 2HB CYS 59 10.633 -7.966 11.070 262 HB3 CYS 59 3HB CYS 59 10.504 -9.250 9.843 263 HG CYS 59 HG CYS 59 12.847 -9.218 12.188 264 H GLY 60 H GLY 60 11.730 -5.665 9.147 265 HA2 GLY 60 2HA GLY 60 11.059 -4.461 7.425 266 HA3 GLY 60 3HA GLY 60 11.807 -5.639 6.311 267 H ALA 61 H ALA 61 9.070 -6.143 8.615 268 HA ALA 61 HA ALA 61 7.332 -7.024 6.352 269 HB1 ALA 61 1HB ALA 61 7.206 -7.465 9.359 270 HB2 ALA 61 2HB ALA 61 6.126 -8.198 8.158 271 HB3 ALA 61 3HB ALA 61 7.851 -8.627 8.174 272 H MET 62 H MET 62 7.841 -4.317 8.253 273 HA MET 62 HA MET 62 4.982 -3.618 8.613 274 HB2 MET 62 2HB MET 62 6.885 -4.165 10.503 275 HB3 MET 62 3HB MET 62 7.227 -2.452 10.264 276 HG2 MET 62 2HG MET 62 4.702 -2.131 10.699 277 HG3 MET 62 3HG MET 62 4.766 -3.826 11.245 278 HE1 MET 62 3HE MET 62 7.447 -3.270 14.260 279 HE2 MET 62 1HE MET 62 6.762 -4.495 13.165 280 HE3 MET 62 2HE MET 62 7.971 -3.327 12.568 281 H TYR 63 H TYR 63 4.260 -1.891 7.498 282 HA TYR 63 HA TYR 63 6.103 0.333 6.882 283 HB2 TYR 63 2HB TYR 63 4.564 -1.117 4.769 284 HB3 TYR 63 3HB TYR 63 5.283 0.359 4.554 285 HD1 TYR 63 HD1 TYR 63 7.901 0.293 4.145 286 HD2 TYR 63 HD2 TYR 63 5.643 -3.238 5.170 287 HE1 TYR 63 HE1 TYR 63 9.891 -1.113 3.789 288 HE2 TYR 63 HE2 TYR 63 7.499 -4.655 4.564 289 HH TYR 63 HH TYR 63 9.738 -4.702 4.272 290 H GLU 64 H GLU 64 5.160 2.264 6.497 291 HA GLU 64 HA GLU 64 2.253 2.574 7.056 292 HB2 GLU 64 2HB GLU 64 3.544 3.727 8.659 293 HB3 GLU 64 3HB GLU 64 4.601 4.444 7.447 294 HG2 GLU 64 2HG GLU 64 2.785 5.724 6.606 295 HG3 GLU 64 3HG GLU 64 1.631 4.925 7.629 296 H ILE 65 H ILE 65 0.917 3.156 5.336 297 HA ILE 65 HA ILE 65 2.232 3.975 2.758 298 HB ILE 65 HB ILE 65 0.246 1.727 3.234 299 HG12 ILE 65 2HG1 ILE 65 3.085 1.635 2.170 300 HG13 ILE 65 3HG1 ILE 65 2.625 1.217 3.811 301 HG21 ILE 65 1HG2 ILE 65 1.413 2.745 0.594 302 HG22 ILE 65 2HG2 ILE 65 0.399 1.297 0.777 303 HG23 ILE 65 3HG2 ILE 65 -0.287 2.871 1.097 304 HD11 ILE 65 3HD1 ILE 65 1.872 -0.298 1.295 305 HD12 ILE 65 1HD1 ILE 65 2.891 -0.827 2.639 306 HD13 ILE 65 2HD1 ILE 65 1.147 -0.600 2.895 307 H LYS 66 H LYS 66 1.195 5.530 1.609 308 HA LYS 66 HA LYS 66 -1.707 6.021 2.181 309 HB2 LYS 66 2HB LYS 66 0.215 8.256 1.454 310 HB3 LYS 66 3HB LYS 66 -1.503 8.360 1.784 311 HG2 LYS 66 2HG LYS 66 -0.855 8.985 3.836 312 HG3 LYS 66 3HG LYS 66 -0.709 7.255 4.136 313 HD2 LYS 66 2HD LYS 66 1.745 7.457 3.449 314 HD3 LYS 66 3HD LYS 66 1.502 9.220 3.400 315 HE2 LYS 66 2HE LYS 66 0.671 9.107 5.780 316 HE3 LYS 66 3HE LYS 66 1.047 7.377 5.785 317 HZ1 LYS 66 3HZ LYS 66 2.888 8.433 6.725 318 HZ2 LYS 66 1HZ LYS 66 2.979 9.620 5.593 319 HZ3 LYS 66 2HZ LYS 66 3.391 8.067 5.212 320 H ILE 67 H ILE 67 -3.024 5.880 0.541 321 HA ILE 67 HA ILE 67 -2.024 6.233 -2.185 322 HB ILE 67 HB ILE 67 -4.044 4.134 -1.457 323 HG12 ILE 67 2HG1 ILE 67 -1.044 4.015 -1.421 324 HG13 ILE 67 3HG1 ILE 67 -2.231 3.231 -0.458 325 HG21 ILE 67 1HG2 ILE 67 -3.571 3.325 -3.765 326 HG22 ILE 67 2HG2 ILE 67 -4.230 4.931 -3.757 327 HG23 ILE 67 3HG2 ILE 67 -2.489 4.723 -3.997 328 HD11 ILE 67 3HD1 ILE 67 -0.959 1.665 -1.808 329 HD12 ILE 67 1HD1 ILE 67 -2.646 1.660 -2.401 330 HD13 ILE 67 2HD1 ILE 67 -1.366 2.511 -3.298 331 H GLU 68 H GLU 68 -3.742 7.022 -3.669 332 HA GLU 68 HA GLU 68 -6.522 7.410 -2.807 333 HB2 GLU 68 2HB GLU 68 -5.381 9.433 -1.896 334 HB3 GLU 68 3HB GLU 68 -4.725 9.731 -3.411 335 HG2 GLU 68 2HG GLU 68 -7.042 10.120 -4.358 336 HG3 GLU 68 3HG GLU 68 -7.732 9.709 -2.813 337 H SER 69 H SER 69 -7.825 7.185 -4.581 338 HA SER 69 HA SER 69 -6.878 7.762 -7.299 339 HB2 SER 69 2HB SER 69 -5.863 5.443 -6.574 340 HB3 SER 69 3HB SER 69 -7.509 4.867 -6.636 341 HG SER 69 HG SER 69 -6.780 4.532 -8.658 342 H GLU 70 H GLU 70 -8.480 7.733 -8.784 343 HA GLU 70 HA GLU 70 -11.157 8.258 -8.121 344 HB2 GLU 70 2HB GLU 70 -9.729 7.321 -10.504 345 HB3 GLU 70 3HB GLU 70 -11.468 7.635 -10.615 346 HG2 GLU 70 2HG GLU 70 -11.104 9.972 -10.106 347 HG3 GLU 70 3HG GLU 70 -9.424 9.697 -9.694 348 H GLU 71 H GLU 71 -9.724 5.055 -8.851 349 HA GLU 71 HA GLU 71 -12.136 3.629 -9.160 350 HB2 GLU 71 2HB GLU 71 -10.818 1.638 -8.878 351 HB3 GLU 71 3HB GLU 71 -9.913 2.829 -9.800 352 HG2 GLU 71 2HG GLU 71 -9.074 3.402 -7.210 353 HG3 GLU 71 3HG GLU 71 -9.395 1.688 -7.087 354 H PHE 72 H PHE 72 -10.857 4.895 -6.180 355 HA PHE 72 HA PHE 72 -11.890 2.742 -4.535 356 HB2 PHE 72 2HB PHE 72 -10.372 5.308 -4.122 357 HB3 PHE 72 3HB PHE 72 -11.071 4.542 -2.752 358 HD1 PHE 72 1HD PHE 72 -8.084 5.089 -3.771 359 HD2 PHE 72 2HD PHE 72 -10.579 1.596 -3.349 360 HE1 PHE 72 1HE PHE 72 -6.084 3.700 -3.307 361 HE2 PHE 72 2HE PHE 72 -8.594 0.233 -2.904 362 HZ PHE 72 HZ PHE 72 -6.336 1.273 -2.853 363 H LYS 73 H LYS 73 -13.823 4.666 -6.046 364 HA LYS 73 HA LYS 73 -15.255 6.022 -3.907 365 HB2 LYS 73 2HB LYS 73 -16.987 6.485 -5.686 366 HB3 LYS 73 3HB LYS 73 -15.400 7.166 -5.955 367 HG2 LYS 73 2HG LYS 73 -15.017 5.947 -7.818 368 HG3 LYS 73 3HG LYS 73 -15.768 4.476 -7.196 369 HD2 LYS 73 2HD LYS 73 -17.971 5.277 -7.663 370 HD3 LYS 73 3HD LYS 73 -17.365 6.898 -8.109 371 HE2 LYS 73 2HE LYS 73 -16.136 6.018 -9.988 372 HE3 LYS 73 3HE LYS 73 -16.454 4.359 -9.493 373 HZ1 LYS 73 3HZ LYS 73 -18.843 4.807 -9.975 374 HZ2 LYS 73 1HZ LYS 73 -17.909 5.036 -11.298 375 HZ3 LYS 73 2HZ LYS 73 -18.466 6.335 -10.473 376 H GLU 74 H GLU 74 -16.021 3.081 -5.718 377 HA GLU 74 HA GLU 74 -18.570 2.788 -4.276 378 HB2 GLU 74 2HB GLU 74 -18.197 2.538 -6.768 379 HB3 GLU 74 3HB GLU 74 -17.327 1.065 -6.424 380 HG2 GLU 74 2HG GLU 74 -19.731 0.620 -5.096 381 HG3 GLU 74 3HG GLU 74 -20.255 1.703 -6.366 382 H LYS 75 H LYS 75 -16.129 2.592 -2.773 383 HA LYS 75 HA LYS 75 -16.040 -0.225 -1.759 384 HB2 LYS 75 2HB LYS 75 -13.783 1.793 -2.039 385 HB3 LYS 75 3HB LYS 75 -13.630 0.198 -1.313 386 HG2 LYS 75 2HG LYS 75 -14.393 0.691 -4.225 387 HG3 LYS 75 3HG LYS 75 -12.753 0.393 -3.660 388 HD2 LYS 75 2HD LYS 75 -13.245 -1.831 -2.962 389 HD3 LYS 75 3HD LYS 75 -15.008 -1.598 -3.141 390 HE2 LYS 75 2HE LYS 75 -14.751 -1.227 -5.517 391 HE3 LYS 75 3HE LYS 75 -12.989 -1.403 -5.391 392 HZ1 LYS 75 3HZ LYS 75 -15.024 -3.516 -4.888 393 HZ2 LYS 75 1HZ LYS 75 -13.458 -3.734 -4.524 394 HZ3 LYS 75 2HZ LYS 75 -13.921 -3.552 -6.086 395 H ARG 76 H ARG 76 -16.153 -0.597 0.303 396 HA ARG 76 HA ARG 76 -16.506 1.417 2.333 397 HB2 ARG 76 2HB ARG 76 -15.508 -1.362 2.857 398 HB3 ARG 76 3HB ARG 76 -16.634 -0.393 3.703 399 HG2 ARG 76 2HG ARG 76 -17.325 -1.862 1.157 400 HG3 ARG 76 3HG ARG 76 -17.704 -2.362 2.778 401 HD2 ARG 76 2HD ARG 76 -19.040 -0.194 3.049 402 HD3 ARG 76 3HD ARG 76 -18.796 0.060 1.327 403 HE ARG 76 HE ARG 76 -20.189 -1.791 0.817 404 HH11 ARG 76 1HH1 ARG 76 -20.001 -1.435 4.345 405 HH12 ARG 76 2HH1 ARG 76 -21.414 -2.447 4.553 406 HH21 ARG 76 2HH2 ARG 76 -22.206 -3.616 2.907 407 HH22 ARG 76 1HH2 ARG 76 -21.653 -3.371 1.273 408 H THR 77 H THR 77 -14.946 1.584 4.154 409 HA THR 77 HA THR 77 -12.257 2.124 3.562 410 HB THR 77 HB THR 77 -13.680 1.246 6.058 411 HG1 THR 77 1HG THR 77 -13.790 3.377 6.477 412 HG21 THR 77 1HG2 THR 77 -10.886 2.482 5.839 413 HG22 THR 77 2HG2 THR 77 -11.290 0.892 6.538 414 HG23 THR 77 3HG2 THR 77 -11.812 2.367 7.353 415 H VAL 78 H VAL 78 -13.431 -0.871 5.110 416 HA VAL 78 HA VAL 78 -11.003 -2.311 4.973 417 HB VAL 78 HB VAL 78 -12.932 -2.934 6.307 418 HG11 VAL 78 1HG1 VAL 78 -14.693 -2.443 4.606 419 HG12 VAL 78 2HG1 VAL 78 -14.261 -3.949 3.768 420 HG13 VAL 78 3HG1 VAL 78 -14.895 -3.991 5.426 421 HG21 VAL 78 3HG2 VAL 78 -12.811 -5.342 6.053 422 HG22 VAL 78 1HG2 VAL 78 -12.165 -5.183 4.410 423 HG23 VAL 78 2HG2 VAL 78 -11.209 -4.630 5.806 424 H GLN 79 H GLN 79 -13.470 -1.917 2.444 425 HA GLN 79 HA GLN 79 -12.203 -3.858 0.660 426 HB2 GLN 79 2HB GLN 79 -14.347 -1.774 0.080 427 HB3 GLN 79 3HB GLN 79 -13.677 -2.938 -1.066 428 HG2 GLN 79 2HG GLN 79 -14.371 -4.592 0.977 429 HG3 GLN 79 3HG GLN 79 -15.676 -3.422 1.027 430 HE21 GLN 79 2HE2 GLN 79 -17.018 -4.578 -2.123 431 HE22 GLN 79 1HE2 GLN 79 -17.063 -3.219 -1.025 432 H GLN 80 H GLN 80 -11.968 -0.284 1.009 433 HA GLN 80 HA GLN 80 -10.197 0.072 -1.250 434 HB2 GLN 80 2HB GLN 80 -10.338 1.603 1.392 435 HB3 GLN 80 3HB GLN 80 -9.374 2.057 -0.014 436 HG2 GLN 80 2HG GLN 80 -11.431 2.390 -1.348 437 HG3 GLN 80 3HG GLN 80 -12.409 1.973 0.048 438 HE21 GLN 80 2HE2 GLN 80 -12.328 5.647 0.089 439 HE22 GLN 80 1HE2 GLN 80 -12.945 4.439 -1.048 440 H HIS 81 H HIS 81 -9.505 -0.530 2.272 441 HA HIS 81 HA HIS 81 -6.711 -0.824 2.051 442 HB2 HIS 81 2HB HIS 81 -8.663 -2.219 3.924 443 HB3 HIS 81 3HB HIS 81 -6.912 -2.243 4.109 444 HD1 HIS 81 1HD HIS 81 -9.136 -0.816 6.151 445 HD2 HIS 81 2HD HIS 81 -6.355 0.919 3.501 446 HE1 HIS 81 1HE HIS 81 -8.713 1.543 6.982 447 H GLN 82 H GLN 82 -9.132 -3.497 1.728 448 HA GLN 82 HA GLN 82 -7.504 -5.648 1.268 449 HB2 GLN 82 2HB GLN 82 -9.847 -5.914 1.445 450 HB3 GLN 82 3HB GLN 82 -10.163 -4.857 0.078 451 HG2 GLN 82 2HG GLN 82 -10.563 -7.204 -0.469 452 HG3 GLN 82 3HG GLN 82 -9.342 -6.487 -1.504 453 HE21 GLN 82 2HE2 GLN 82 -7.526 -9.475 -0.898 454 HE22 GLN 82 1HE2 GLN 82 -8.514 -8.577 -2.058 455 H MET 83 H MET 83 -8.410 -3.240 -1.282 456 HA MET 83 HA MET 83 -7.074 -4.574 -3.428 457 HB2 MET 83 2HB MET 83 -7.564 -1.605 -3.010 458 HB3 MET 83 3HB MET 83 -7.212 -2.385 -4.556 459 HG2 MET 83 2HG MET 83 -9.179 -3.714 -4.406 460 HG3 MET 83 3HG MET 83 -9.617 -3.113 -2.842 461 HE1 MET 83 3HE MET 83 -9.937 -0.489 -6.637 462 HE2 MET 83 1HE MET 83 -8.408 -0.620 -5.747 463 HE3 MET 83 2HE MET 83 -9.089 -2.052 -6.563 464 H VAL 84 H VAL 84 -5.924 -2.305 -1.077 465 HA VAL 84 HA VAL 84 -3.212 -1.958 -2.203 466 HB VAL 84 HB VAL 84 -3.974 -1.330 0.663 467 HG11 VAL 84 1HG1 VAL 84 -2.504 0.778 0.032 468 HG12 VAL 84 2HG1 VAL 84 -1.713 -0.798 0.364 469 HG13 VAL 84 3HG1 VAL 84 -1.966 -0.259 -1.302 470 HG21 VAL 84 3HG2 VAL 84 -5.759 -0.339 -0.582 471 HG22 VAL 84 1HG2 VAL 84 -4.690 0.900 0.012 472 HG23 VAL 84 2HG2 VAL 84 -4.608 0.428 -1.710 473 H ASN 85 H ASN 85 -4.699 -4.066 0.173 474 HA ASN 85 HA ASN 85 -2.278 -5.272 1.271 475 HB2 ASN 85 2HB ASN 85 -5.266 -5.722 1.348 476 HB3 ASN 85 3HB ASN 85 -4.202 -7.063 1.809 477 HD21 ASN 85 2HD2 ASN 85 -4.725 -3.874 4.249 478 HD22 ASN 85 1HD2 ASN 85 -5.166 -3.773 2.543 479 H GLN 86 H GLN 86 -4.735 -6.401 -1.171 480 HA GLN 86 HA GLN 86 -3.386 -8.748 -1.854 481 HB2 GLN 86 2HB GLN 86 -5.813 -7.700 -2.050 482 HB3 GLN 86 3HB GLN 86 -5.236 -7.098 -3.585 483 HG2 GLN 86 2HG GLN 86 -6.400 -9.136 -3.858 484 HG3 GLN 86 3HG GLN 86 -4.688 -9.385 -4.248 485 HE21 GLN 86 2HE2 GLN 86 -5.184 -12.413 -2.367 486 HE22 GLN 86 1HE2 GLN 86 -4.771 -11.702 -3.923 487 H ALA 87 H ALA 87 -2.767 -5.491 -2.811 488 HA ALA 87 HA ALA 87 -1.573 -5.825 -5.346 489 HB1 ALA 87 1HB ALA 87 -0.417 -3.686 -4.785 490 HB2 ALA 87 2HB ALA 87 -2.130 -3.624 -4.319 491 HB3 ALA 87 3HB ALA 87 -0.869 -3.877 -3.089 492 H LEU 88 H LEU 88 -0.155 -6.231 -2.094 493 HA LEU 88 HA LEU 88 2.267 -7.447 -3.403 494 HB2 LEU 88 2HB LEU 88 3.691 -6.447 -1.987 495 HB3 LEU 88 3HB LEU 88 2.625 -5.189 -2.566 496 HG LEU 88 HG LEU 88 3.006 -4.607 -0.369 497 HD11 LEU 88 1HD1 LEU 88 0.549 -4.639 -0.782 498 HD12 LEU 88 2HD1 LEU 88 1.012 -4.775 0.919 499 HD13 LEU 88 3HD1 LEU 88 0.493 -6.220 0.049 500 HD21 LEU 88 3HD2 LEU 88 2.524 -7.419 0.678 501 HD22 LEU 88 1HD2 LEU 88 3.140 -6.004 1.541 502 HD23 LEU 88 2HD2 LEU 88 4.118 -6.699 0.238 503 H LYS 89 H LYS 89 -0.293 -8.410 -1.648 504 HA LYS 89 HA LYS 89 0.495 -10.023 0.440 505 HB2 LYS 89 2HB LYS 89 -1.780 -9.762 -0.204 506 HB3 LYS 89 3HB LYS 89 -1.500 -10.503 -1.787 507 HG2 LYS 89 2HG LYS 89 -1.104 -12.646 -0.905 508 HG3 LYS 89 3HG LYS 89 -0.865 -12.098 0.726 509 HD2 LYS 89 2HD LYS 89 -3.437 -11.918 -0.857 510 HD3 LYS 89 3HD LYS 89 -3.068 -13.233 0.274 511 HE2 LYS 89 2HE LYS 89 -3.148 -11.739 2.169 512 HE3 LYS 89 3HE LYS 89 -3.225 -10.320 1.118 513 HZ1 LYS 89 3HZ LYS 89 -5.396 -11.045 0.340 514 HZ2 LYS 89 1HZ LYS 89 -5.377 -10.813 1.956 515 HZ3 LYS 89 2HZ LYS 89 -5.386 -12.343 1.345 516 H GLU 90 H GLU 90 0.862 -10.786 -3.059 517 HA GLU 90 HA GLU 90 1.576 -13.457 -2.378 518 HB2 GLU 90 2HB GLU 90 1.179 -11.833 -4.889 519 HB3 GLU 90 3HB GLU 90 1.842 -13.418 -4.972 520 HG2 GLU 90 2HG GLU 90 -0.176 -14.304 -3.727 521 HG3 GLU 90 3HG GLU 90 -0.876 -12.682 -3.827 522 H GLU 91 H GLU 91 3.241 -10.611 -2.458 523 HA GLU 91 HA GLU 91 5.890 -11.509 -3.402 524 HB2 GLU 91 2HB GLU 91 4.432 -9.356 -4.062 525 HB3 GLU 91 3HB GLU 91 4.982 -8.752 -2.506 526 HG2 GLU 91 2HG GLU 91 6.307 -7.842 -4.076 527 HG3 GLU 91 3HG GLU 91 7.311 -9.015 -3.211 528 H ILE 92 H ILE 92 4.201 -10.005 -0.649 529 HA ILE 92 HA ILE 92 5.978 -11.158 1.407 530 HB ILE 92 HB ILE 92 5.272 -8.213 1.347 531 HG12 ILE 92 2HG1 ILE 92 7.936 -9.577 0.836 532 HG13 ILE 92 3HG1 ILE 92 6.983 -8.654 -0.336 533 HG21 ILE 92 1HG2 ILE 92 5.352 -9.309 3.626 534 HG22 ILE 92 2HG2 ILE 92 7.036 -9.764 3.290 535 HG23 ILE 92 3HG2 ILE 92 6.554 -8.059 3.402 536 HD11 ILE 92 3HD1 ILE 92 7.187 -6.640 1.015 537 HD12 ILE 92 1HD1 ILE 92 8.294 -7.517 2.110 538 HD13 ILE 92 2HD1 ILE 92 8.743 -7.265 0.407 539 H LYS 93 H LYS 93 4.297 -12.286 2.587 540 HA LYS 93 HA LYS 93 1.596 -11.302 2.293 541 HB2 LYS 93 2HB LYS 93 1.038 -13.448 3.245 542 HB3 LYS 93 3HB LYS 93 2.210 -13.676 1.966 543 HG2 LYS 93 2HG LYS 93 3.982 -13.946 3.765 544 HG3 LYS 93 3HG LYS 93 2.728 -13.682 4.969 545 HD2 LYS 93 2HD LYS 93 3.157 -16.057 4.820 546 HD3 LYS 93 3HD LYS 93 1.539 -15.714 4.223 547 HE2 LYS 93 2HE LYS 93 2.471 -17.332 2.763 548 HE3 LYS 93 3HE LYS 93 2.456 -15.811 1.865 549 HZ1 LYS 93 3HZ LYS 93 4.843 -15.580 2.444 550 HZ2 LYS 93 1HZ LYS 93 4.570 -16.975 1.610 551 HZ3 LYS 93 2HZ LYS 93 4.796 -17.032 3.225 552 H GLU 94 H GLU 94 3.754 -10.654 4.684 553 HA GLU 94 HA GLU 94 2.421 -11.181 7.024 554 HB2 GLU 94 2HB GLU 94 4.759 -9.400 6.474 555 HB3 GLU 94 3HB GLU 94 4.411 -10.311 7.917 556 HG2 GLU 94 2HG GLU 94 5.240 -11.508 5.264 557 HG3 GLU 94 3HG GLU 94 6.277 -11.239 6.646 558 H MET 95 H MET 95 0.690 -9.310 5.512 559 HA MET 95 HA MET 95 1.165 -6.663 6.269 560 HB2 MET 95 2HB MET 95 -1.391 -7.870 5.186 561 HB3 MET 95 3HB MET 95 -1.087 -6.143 5.345 562 HG2 MET 95 2HG MET 95 -0.483 -6.399 3.192 563 HG3 MET 95 3HG MET 95 1.076 -6.584 3.985 564 HE1 MET 95 3HE MET 95 -1.991 -9.037 3.416 565 HE2 MET 95 1HE MET 95 -1.686 -8.263 1.841 566 HE3 MET 95 2HE MET 95 -1.343 -9.995 2.075 567 H HIS 96 H HIS 96 0.233 -8.729 8.554 568 HA HIS 96 HA HIS 96 -1.248 -7.173 10.417 569 HB2 HIS 96 2HB HIS 96 -0.400 -9.327 11.013 570 HB3 HIS 96 3HB HIS 96 1.239 -8.913 10.528 571 HD1 HIS 96 1HD HIS 96 -1.192 -7.503 13.240 572 HD2 HIS 96 2HD HIS 96 2.818 -8.544 12.496 573 HE1 HIS 96 1HE HIS 96 0.111 -6.929 15.371 574 H GLY 97 H GLY 97 1.967 -6.801 9.144 575 HA2 GLY 97 2HA GLY 97 2.925 -4.667 10.740 576 HA3 GLY 97 3HA GLY 97 3.526 -5.161 9.145 577 H LEU 98 H LEU 98 0.587 -4.390 8.191 578 HA LEU 98 HA LEU 98 1.751 -1.825 7.205 579 HB2 LEU 98 2HB LEU 98 -0.399 -3.646 6.028 580 HB3 LEU 98 3HB LEU 98 0.209 -2.136 5.330 581 HG LEU 98 HG LEU 98 1.760 -4.715 5.803 582 HD11 LEU 98 1HD1 LEU 98 0.520 -4.321 3.624 583 HD12 LEU 98 2HD1 LEU 98 2.307 -4.523 3.502 584 HD13 LEU 98 3HD1 LEU 98 1.574 -2.901 3.402 585 HD21 LEU 98 3HD2 LEU 98 2.727 -1.926 5.235 586 HD22 LEU 98 1HD2 LEU 98 3.658 -3.350 4.718 587 HD23 LEU 98 2HD2 LEU 98 3.365 -3.108 6.439 588 H ARG 99 H ARG 99 1.084 0.009 7.468 589 HA ARG 99 HA ARG 99 -1.487 0.682 8.908 590 HB2 ARG 99 2HB ARG 99 0.700 1.088 10.101 591 HB3 ARG 99 3HB ARG 99 1.043 2.314 8.876 592 HG2 ARG 99 2HG ARG 99 -1.303 3.293 9.512 593 HG3 ARG 99 3HG ARG 99 -1.209 2.238 10.927 594 HD2 ARG 99 2HD ARG 99 1.027 3.287 11.459 595 HD3 ARG 99 3HD ARG 99 0.757 4.368 10.084 596 HE ARG 99 HE ARG 99 -1.325 4.299 12.213 597 HH11 ARG 99 1HH1 ARG 99 1.343 6.260 10.872 598 HH12 ARG 99 2HH1 ARG 99 0.661 7.677 11.635 599 HH21 ARG 99 2HH2 ARG 99 -0.990 7.590 12.990 600 HH22 ARG 99 1HH2 ARG 99 -1.755 6.059 13.391 601 H ILE 100 H ILE 100 -2.739 0.760 7.089 602 HA ILE 100 HA ILE 100 -1.845 2.489 4.808 603 HB ILE 100 HB ILE 100 -4.075 0.464 4.534 604 HG12 ILE 100 2HG1 ILE 100 -1.175 -0.423 4.495 605 HG13 ILE 100 3HG1 ILE 100 -2.471 -0.967 5.577 606 HG21 ILE 100 1HG2 ILE 100 -1.842 1.171 2.592 607 HG22 ILE 100 2HG2 ILE 100 -3.379 0.359 2.241 608 HG23 ILE 100 3HG2 ILE 100 -3.391 2.049 2.646 609 HD11 ILE 100 3HD1 ILE 100 -2.196 -1.606 2.621 610 HD12 ILE 100 1HD1 ILE 100 -2.263 -2.711 3.992 611 HD13 ILE 100 2HD1 ILE 100 -3.713 -1.802 3.515 612 H PHE 101 H PHE 101 -2.811 3.787 3.827 613 HA PHE 101 HA PHE 101 -5.353 4.944 4.837 614 HB2 PHE 101 2HB PHE 101 -2.660 6.162 4.099 615 HB3 PHE 101 3HB PHE 101 -4.076 7.036 4.523 616 HD1 PHE 101 1HD PHE 101 -5.115 6.688 6.883 617 HD2 PHE 101 2HD PHE 101 -1.148 5.415 5.777 618 HE1 PHE 101 1HE PHE 101 -4.489 6.531 9.280 619 HE2 PHE 101 2HE PHE 101 -0.541 5.202 8.151 620 HZ PHE 101 HZ PHE 101 -2.213 5.793 9.927 621 H THR 102 H THR 102 -6.733 5.426 3.257 622 HA THR 102 HA THR 102 -5.992 5.663 0.339 623 HB THR 102 HB THR 102 -8.003 4.194 -0.103 624 HG1 THR 102 1HG THR 102 -9.132 3.868 1.599 625 HG21 THR 102 1HG2 THR 102 -6.930 2.028 0.261 626 HG22 THR 102 2HG2 THR 102 -5.790 2.750 1.417 627 HG23 THR 102 3HG2 THR 102 -5.741 3.213 -0.299 628 H SER 103 H SER 103 -7.436 6.707 -0.878 629 HA SER 103 HA SER 103 -10.002 7.610 0.123 630 HB2 SER 103 2HB SER 103 -9.237 10.053 -0.455 631 HB3 SER 103 3HB SER 103 -8.905 9.394 1.134 632 HG SER 103 HG SER 103 -7.206 10.466 -0.527 633 H VAL 104 H VAL 104 -10.911 9.262 -1.591 634 HA VAL 104 HA VAL 104 -9.971 8.615 -4.347 635 HB VAL 104 HB VAL 104 -11.710 7.001 -3.878 636 HG11 VAL 104 1HG1 VAL 104 -13.000 8.010 -2.146 637 HG12 VAL 104 2HG1 VAL 104 -13.553 9.308 -3.255 638 HG13 VAL 104 3HG1 VAL 104 -14.027 7.627 -3.525 639 HG21 VAL 104 3HG2 VAL 104 -13.201 7.372 -5.729 640 HG22 VAL 104 1HG2 VAL 104 -12.834 9.118 -5.739 641 HG23 VAL 104 2HG2 VAL 104 -11.595 7.905 -6.116 642 HA PRO 105 HA PRO 105 -10.830 12.980 -4.677 643 HB2 PRO 105 2HB PRO 105 -10.112 13.414 -7.276 644 HB3 PRO 105 3HB PRO 105 -8.900 12.991 -6.025 645 HG2 PRO 105 2HG PRO 105 -10.234 11.145 -8.037 646 HG3 PRO 105 3HG PRO 105 -8.501 11.207 -7.589 647 HD2 PRO 105 2HD PRO 105 -10.187 9.385 -6.506 648 HD3 PRO 105 3HD PRO 105 -8.776 10.006 -5.720 649 H LYS 106 H LYS 106 -12.794 13.689 -4.638 650 HA LYS 106 HA LYS 106 -14.844 12.893 -6.614 651 HB2 LYS 106 2HB LYS 106 -14.166 11.556 -4.144 652 HB3 LYS 106 3HB LYS 106 -15.658 12.349 -3.835 653 HG2 LYS 106 2HG LYS 106 -15.080 10.414 -6.114 654 HG3 LYS 106 3HG LYS 106 -15.876 10.045 -4.585 655 HD2 LYS 106 2HD LYS 106 -17.719 11.693 -5.238 656 HD3 LYS 106 3HD LYS 106 -16.916 11.855 -6.802 657 HE2 LYS 106 2HE LYS 106 -18.476 10.280 -7.334 658 HE3 LYS 106 3HE LYS 106 -17.117 9.231 -6.935 659 HZ1 LYS 106 3HZ LYS 106 -19.300 9.937 -5.031 660 HZ2 LYS 106 1HZ LYS 106 -18.141 8.805 -4.788 661 HZ3 LYS 106 2HZ LYS 106 -19.275 8.581 -5.963 662 H ARG 107 H ARG 107 -13.825 15.510 -6.069 663 HA ARG 107 HA ARG 107 -15.517 17.036 -4.333 664 HB2 ARG 107 2HB ARG 107 -14.124 18.655 -4.735 665 HB3 ARG 107 3HB ARG 107 -13.211 17.590 -5.774 666 HG2 ARG 107 2HG ARG 107 -15.413 19.485 -6.695 667 HG3 ARG 107 3HG ARG 107 -13.700 19.858 -6.712 668 HD2 ARG 107 2HD ARG 107 -13.206 18.258 -8.395 669 HD3 ARG 107 3HD ARG 107 -14.765 17.470 -8.248 670 HE ARG 107 HE ARG 107 -14.143 19.743 -9.885 671 HH11 ARG 107 1HH1 ARG 107 -16.872 18.092 -8.369 672 HH12 ARG 107 2HH1 ARG 107 -18.024 19.113 -9.201 673 HH21 ARG 107 2HH2 ARG 107 -17.359 20.642 -10.625 674 HH22 ARG 107 1HH2 ARG 107 -15.669 20.987 -10.871 Start of MODEL 4 1 H1 ALA 27 H1 ALA 27 18.395 6.450 1.654 2 H2 ALA 27 H2 ALA 27 16.820 6.283 1.242 3 H3 ALA 27 H3 ALA 27 17.675 4.993 1.851 4 HA ALA 27 HA ALA 27 17.873 5.969 3.962 5 HB1 ALA 27 1HB ALA 27 18.105 8.313 3.201 6 HB2 ALA 27 2HB ALA 27 16.373 8.356 2.799 7 HB3 ALA 27 3HB ALA 27 16.891 8.154 4.484 8 H THR 28 H THR 28 16.369 5.385 5.509 9 HA THR 28 HA THR 28 14.672 4.132 6.276 10 HB THR 28 HB THR 28 12.767 5.830 4.719 11 HG1 THR 28 1HG THR 28 12.984 7.242 6.528 12 HG21 THR 28 1HG2 THR 28 12.739 4.689 7.553 13 HG22 THR 28 2HG2 THR 28 11.803 4.034 6.193 14 HG23 THR 28 3HG2 THR 28 11.452 5.653 6.804 15 H GLN 29 H GLN 29 15.900 2.717 4.531 16 HA GLN 29 HA GLN 29 13.964 1.464 2.619 17 HB2 GLN 29 2HB GLN 29 16.950 1.767 2.699 18 HB3 GLN 29 3HB GLN 29 16.214 0.421 1.837 19 HG2 GLN 29 2HG GLN 29 14.916 1.877 0.434 20 HG3 GLN 29 3HG GLN 29 15.420 3.307 1.317 21 HE21 GLN 29 2HE2 GLN 29 18.302 1.411 -0.996 22 HE22 GLN 29 1HE2 GLN 29 17.155 0.449 -0.077 23 H THR 30 H THR 30 13.346 -0.539 2.790 24 HA THR 30 HA THR 30 15.297 -2.488 3.837 25 HB THR 30 HB THR 30 13.598 -4.223 3.837 26 HG1 THR 30 1HG THR 30 11.432 -3.556 3.780 27 HG21 THR 30 1HG2 THR 30 12.184 -3.404 5.810 28 HG22 THR 30 2HG2 THR 30 13.092 -1.896 5.688 29 HG23 THR 30 3HG2 THR 30 13.939 -3.417 6.019 30 H GLU 31 H GLU 31 15.045 -4.574 2.133 31 HA GLU 31 HA GLU 31 14.923 -3.572 -0.619 32 HB2 GLU 31 2HB GLU 31 15.214 -6.281 0.667 33 HB3 GLU 31 3HB GLU 31 14.893 -6.104 -1.056 34 HG2 GLU 31 2HG GLU 31 17.254 -4.858 0.418 35 HG3 GLU 31 3HG GLU 31 17.302 -6.285 -0.612 36 H GLY 32 H GLY 32 12.623 -5.041 1.647 37 HA2 GLY 32 2HA GLY 32 10.475 -5.596 -0.144 38 HA3 GLY 32 3HA GLY 32 10.336 -5.233 1.563 39 H GLU 33 H GLU 33 11.260 -2.566 1.669 40 HA GLU 33 HA GLU 33 9.069 -1.049 1.076 41 HB2 GLU 33 2HB GLU 33 11.296 -0.721 2.465 42 HB3 GLU 33 3HB GLU 33 11.880 0.131 1.068 43 HG2 GLU 33 2HG GLU 33 9.240 0.718 2.413 44 HG3 GLU 33 3HG GLU 33 10.744 1.355 3.058 45 H LEU 34 H LEU 34 11.923 -1.460 -1.009 46 HA LEU 34 HA LEU 34 11.152 0.316 -3.124 47 HB2 LEU 34 2HB LEU 34 12.900 -2.158 -3.349 48 HB3 LEU 34 3HB LEU 34 12.960 -0.693 -4.325 49 HG LEU 34 HG LEU 34 13.743 -1.018 -1.429 50 HD11 LEU 34 1HD1 LEU 34 15.349 -1.973 -3.048 51 HD12 LEU 34 2HD1 LEU 34 16.037 -0.541 -2.262 52 HD13 LEU 34 3HD1 LEU 34 15.409 -0.420 -3.913 53 HD21 LEU 34 3HD2 LEU 34 12.912 1.239 -1.631 54 HD22 LEU 34 1HD2 LEU 34 13.709 1.462 -3.201 55 HD23 LEU 34 2HD2 LEU 34 14.680 1.359 -1.728 56 H ARG 35 H ARG 35 11.010 -3.173 -2.722 57 HA ARG 35 HA ARG 35 9.850 -3.958 -5.220 58 HB2 ARG 35 2HB ARG 35 10.931 -5.542 -3.722 59 HB3 ARG 35 3HB ARG 35 9.790 -5.212 -2.433 60 HG2 ARG 35 2HG ARG 35 8.404 -6.776 -3.155 61 HG3 ARG 35 3HG ARG 35 8.208 -6.003 -4.705 62 HD2 ARG 35 2HD ARG 35 8.984 -8.015 -5.416 63 HD3 ARG 35 3HD ARG 35 10.524 -7.186 -5.300 64 HE ARG 35 HE ARG 35 9.421 -9.285 -3.480 65 HH11 ARG 35 1HH1 ARG 35 12.328 -7.389 -4.202 66 HH12 ARG 35 2HH1 ARG 35 13.194 -8.228 -2.920 67 HH21 ARG 35 2HH2 ARG 35 12.192 -9.758 -1.662 68 HH22 ARG 35 1HH2 ARG 35 10.568 -10.258 -2.084 69 H VAL 36 H VAL 36 8.295 -3.276 -2.104 70 HA VAL 36 HA VAL 36 5.605 -3.667 -2.975 71 HB VAL 36 HB VAL 36 6.802 -2.007 -0.697 72 HG11 VAL 36 1HG1 VAL 36 4.648 -0.991 -1.145 73 HG12 VAL 36 2HG1 VAL 36 3.871 -2.573 -1.293 74 HG13 VAL 36 3HG1 VAL 36 4.487 -2.013 0.282 75 HG21 VAL 36 3HG2 VAL 36 5.263 -4.638 -0.629 76 HG22 VAL 36 1HG2 VAL 36 7.020 -4.519 -0.540 77 HG23 VAL 36 2HG2 VAL 36 6.042 -3.817 0.748 78 H THR 37 H THR 37 7.715 -0.697 -2.740 79 HA THR 37 HA THR 37 5.772 1.092 -3.705 80 HB THR 37 HB THR 37 8.740 1.200 -4.063 81 HG1 THR 37 1HG THR 37 8.305 1.242 -1.936 82 HG21 THR 37 1HG2 THR 37 7.848 2.827 -5.600 83 HG22 THR 37 2HG2 THR 37 8.476 3.694 -4.205 84 HG23 THR 37 3HG2 THR 37 6.720 3.438 -4.369 85 H GLN 38 H GLN 38 7.985 -0.971 -5.550 86 HA GLN 38 HA GLN 38 7.453 0.205 -8.116 87 HB2 GLN 38 2HB GLN 38 8.237 -2.655 -7.372 88 HB3 GLN 38 3HB GLN 38 8.162 -2.020 -8.987 89 HG2 GLN 38 2HG GLN 38 10.253 -1.670 -6.928 90 HG3 GLN 38 3HG GLN 38 10.380 -1.748 -8.664 91 HE21 GLN 38 2HE2 GLN 38 10.371 1.870 -6.840 92 HE22 GLN 38 1HE2 GLN 38 10.175 0.370 -5.914 93 H ILE 39 H ILE 39 5.779 -2.400 -6.352 94 HA ILE 39 HA ILE 39 4.037 -2.974 -8.645 95 HB ILE 39 HB ILE 39 3.917 -3.958 -5.778 96 HG12 ILE 39 2HG1 ILE 39 5.045 -5.497 -8.142 97 HG13 ILE 39 3HG1 ILE 39 6.074 -4.469 -7.157 98 HG21 ILE 39 1HG2 ILE 39 2.565 -4.799 -8.389 99 HG22 ILE 39 2HG2 ILE 39 2.674 -5.873 -6.991 100 HG23 ILE 39 3HG2 ILE 39 1.786 -4.353 -6.854 101 HD11 ILE 39 3HD1 ILE 39 5.459 -5.688 -5.121 102 HD12 ILE 39 1HD1 ILE 39 4.481 -6.810 -6.094 103 HD13 ILE 39 2HD1 ILE 39 6.236 -6.700 -6.354 104 H LEU 40 H LEU 40 3.815 -1.043 -5.676 105 HA LEU 40 HA LEU 40 1.069 -0.320 -5.827 106 HB2 LEU 40 2HB LEU 40 3.604 1.164 -4.926 107 HB3 LEU 40 3HB LEU 40 2.015 1.924 -4.933 108 HG LEU 40 HG LEU 40 2.994 -0.449 -3.331 109 HD11 LEU 40 1HD1 LEU 40 1.645 2.148 -2.489 110 HD12 LEU 40 2HD1 LEU 40 3.401 1.902 -2.567 111 HD13 LEU 40 3HD1 LEU 40 2.424 0.944 -1.436 112 HD21 LEU 40 3HD2 LEU 40 0.110 0.400 -3.681 113 HD22 LEU 40 1HD2 LEU 40 0.684 -0.497 -2.253 114 HD23 LEU 40 2HD2 LEU 40 0.809 -1.226 -3.850 115 H LYS 41 H LYS 41 3.784 0.920 -7.748 116 HA LYS 41 HA LYS 41 2.380 2.984 -9.057 117 HB2 LYS 41 2HB LYS 41 4.524 1.331 -10.408 118 HB3 LYS 41 3HB LYS 41 4.064 3.018 -10.729 119 HG2 LYS 41 2HG LYS 41 4.665 3.323 -8.178 120 HG3 LYS 41 3HG LYS 41 5.533 1.812 -8.437 121 HD2 LYS 41 2HD LYS 41 6.706 2.887 -10.400 122 HD3 LYS 41 3HD LYS 41 5.984 4.430 -9.889 123 HE2 LYS 41 2HE LYS 41 7.047 4.114 -7.626 124 HE3 LYS 41 3HE LYS 41 7.835 2.650 -8.232 125 HZ1 LYS 41 3HZ LYS 41 8.231 5.396 -9.302 126 HZ2 LYS 41 1HZ LYS 41 8.944 4.056 -9.921 127 HZ3 LYS 41 2HZ LYS 41 9.323 4.526 -8.405 128 H GLU 42 H GLU 42 2.296 -0.460 -9.721 129 HA GLU 42 HA GLU 42 1.126 -0.230 -12.303 130 HB2 GLU 42 2HB GLU 42 2.224 -2.182 -10.435 131 HB3 GLU 42 3HB GLU 42 1.562 -2.707 -11.850 132 HG2 GLU 42 2HG GLU 42 3.171 -1.427 -13.067 133 HG3 GLU 42 3HG GLU 42 3.915 -0.789 -11.608 134 H LYS 43 H LYS 43 0.224 -1.387 -9.041 135 HA LYS 43 HA LYS 43 -2.391 -2.094 -10.102 136 HB2 LYS 43 2HB LYS 43 -1.543 -1.885 -7.187 137 HB3 LYS 43 3HB LYS 43 -3.053 -2.543 -7.837 138 HG2 LYS 43 2HG LYS 43 -0.320 -3.766 -8.130 139 HG3 LYS 43 3HG LYS 43 -1.661 -4.353 -7.166 140 HD2 LYS 43 2HD LYS 43 -2.992 -4.956 -9.008 141 HD3 LYS 43 3HD LYS 43 -2.012 -4.031 -10.127 142 HE2 LYS 43 2HE LYS 43 -0.087 -5.668 -9.561 143 HE3 LYS 43 3HE LYS 43 -1.372 -6.695 -8.895 144 HZ1 LYS 43 3HZ LYS 43 -2.511 -6.308 -11.123 145 HZ2 LYS 43 1HZ LYS 43 -1.165 -7.269 -11.184 146 HZ3 LYS 43 2HZ LYS 43 -1.106 -5.698 -11.676 147 H PHE 44 H PHE 44 -0.833 0.719 -8.846 148 HA PHE 44 HA PHE 44 -3.347 2.138 -9.302 149 HB2 PHE 44 2HB PHE 44 -1.504 2.708 -6.951 150 HB3 PHE 44 3HB PHE 44 -3.071 3.433 -7.249 151 HD1 PHE 44 1HD PHE 44 -5.175 2.088 -7.032 152 HD2 PHE 44 2HD PHE 44 -1.330 0.540 -5.833 153 HE1 PHE 44 1HE PHE 44 -6.294 0.290 -5.751 154 HE2 PHE 44 2HE PHE 44 -2.459 -1.289 -4.582 155 HZ PHE 44 HZ PHE 44 -4.947 -1.403 -4.553 156 HA PRO 45 HA PRO 45 -0.112 4.626 -11.574 157 HB2 PRO 45 2HB PRO 45 -0.974 4.138 -14.146 158 HB3 PRO 45 3HB PRO 45 0.218 3.108 -13.310 159 HG2 PRO 45 2HG PRO 45 -2.789 2.693 -13.509 160 HG3 PRO 45 3HG PRO 45 -1.493 1.509 -13.843 161 HD2 PRO 45 2HD PRO 45 -2.679 1.434 -11.497 162 HD3 PRO 45 3HD PRO 45 -0.956 1.297 -11.526 163 H ARG 46 H ARG 46 -3.613 4.433 -11.421 164 HA ARG 46 HA ARG 46 -3.892 7.157 -12.540 165 HB2 ARG 46 2HB ARG 46 -6.031 5.240 -11.692 166 HB3 ARG 46 3HB ARG 46 -6.192 6.772 -12.539 167 HG2 ARG 46 2HG ARG 46 -4.722 5.840 -14.404 168 HG3 ARG 46 3HG ARG 46 -4.800 4.269 -13.567 169 HD2 ARG 46 2HD ARG 46 -7.331 4.647 -13.576 170 HD3 ARG 46 3HD ARG 46 -7.031 5.845 -14.848 171 HE ARG 46 HE ARG 46 -5.650 3.797 -15.877 172 HH11 ARG 46 1HH1 ARG 46 -8.823 3.419 -14.405 173 HH12 ARG 46 2HH1 ARG 46 -8.979 1.804 -15.087 174 HH21 ARG 46 2HH2 ARG 46 -7.548 1.094 -16.558 175 HH22 ARG 46 1HH2 ARG 46 -6.078 1.997 -16.892 176 H ALA 47 H ALA 47 -3.290 5.800 -9.507 177 HA ALA 47 HA ALA 47 -4.846 7.417 -7.756 178 HB1 ALA 47 1HB ALA 47 -2.145 6.068 -7.397 179 HB2 ALA 47 2HB ALA 47 -3.096 6.774 -6.097 180 HB3 ALA 47 3HB ALA 47 -3.764 5.416 -6.994 181 H THR 48 H THR 48 -4.518 9.253 -6.670 182 HA THR 48 HA THR 48 -2.917 11.364 -7.981 183 HB THR 48 HB THR 48 -4.053 12.845 -6.449 184 HG1 THR 48 1HG THR 48 -5.271 12.002 -4.761 185 HG21 THR 48 1HG2 THR 48 -5.477 12.085 -8.375 186 HG22 THR 48 2HG2 THR 48 -6.451 12.406 -6.923 187 HG23 THR 48 3HG2 THR 48 -6.094 10.744 -7.388 188 H ALA 49 H ALA 49 -3.041 9.483 -4.921 189 HA ALA 49 HA ALA 49 -0.168 10.252 -4.441 190 HB1 ALA 49 1HB ALA 49 -0.673 9.982 -2.043 191 HB2 ALA 49 2HB ALA 49 -1.739 11.202 -2.777 192 HB3 ALA 49 3HB ALA 49 -2.362 9.580 -2.433 193 H ILE 50 H ILE 50 1.303 8.612 -4.266 194 HA ILE 50 HA ILE 50 0.533 6.105 -3.065 195 HB ILE 50 HB ILE 50 2.033 4.834 -4.823 196 HG12 ILE 50 2HG1 ILE 50 0.746 6.849 -6.707 197 HG13 ILE 50 3HG1 ILE 50 2.445 6.889 -6.233 198 HG21 ILE 50 1HG2 ILE 50 -0.308 4.315 -4.162 199 HG22 ILE 50 2HG2 ILE 50 -0.860 5.322 -5.519 200 HG23 ILE 50 3HG2 ILE 50 0.118 3.873 -5.817 201 HD11 ILE 50 3HD1 ILE 50 2.732 4.574 -7.153 202 HD12 ILE 50 1HD1 ILE 50 1.062 4.652 -7.766 203 HD13 ILE 50 2HD1 ILE 50 2.281 5.784 -8.368 204 H LYS 51 H LYS 51 1.892 5.836 -1.443 205 HA LYS 51 HA LYS 51 4.784 5.779 -1.915 206 HB2 LYS 51 2HB LYS 51 5.238 7.406 -0.076 207 HB3 LYS 51 3HB LYS 51 4.717 8.032 -1.615 208 HG2 LYS 51 2HG LYS 51 2.282 8.035 -0.405 209 HG3 LYS 51 3HG LYS 51 3.285 7.987 1.047 210 HD2 LYS 51 2HD LYS 51 2.816 10.294 0.521 211 HD3 LYS 51 3HD LYS 51 4.526 9.986 0.133 212 HE2 LYS 51 2HE LYS 51 3.940 9.699 -2.259 213 HE3 LYS 51 3HE LYS 51 2.240 9.928 -1.917 214 HZ1 LYS 51 3HZ LYS 51 4.209 12.012 -1.141 215 HZ2 LYS 51 1HZ LYS 51 2.628 12.215 -1.499 216 HZ3 LYS 51 2HZ LYS 51 3.715 11.923 -2.704 217 H VAL 52 H VAL 52 6.023 5.049 -0.198 218 HA VAL 52 HA VAL 52 4.672 3.321 1.822 219 HB VAL 52 HB VAL 52 7.202 2.630 0.272 220 HG11 VAL 52 1HG1 VAL 52 6.993 1.346 2.350 221 HG12 VAL 52 2HG1 VAL 52 5.323 0.902 1.944 222 HG13 VAL 52 3HG1 VAL 52 6.687 0.294 0.980 223 HG21 VAL 52 3HG2 VAL 52 5.899 1.037 -1.071 224 HG22 VAL 52 1HG2 VAL 52 4.393 1.640 -0.328 225 HG23 VAL 52 2HG2 VAL 52 5.383 2.674 -1.388 226 H THR 53 H THR 53 5.762 2.943 3.813 227 HA THR 53 HA THR 53 8.578 3.913 4.052 228 HB THR 53 HB THR 53 6.330 4.694 5.997 229 HG1 THR 53 1HG THR 53 7.099 5.892 3.854 230 HG21 THR 53 1HG2 THR 53 9.286 5.260 6.115 231 HG22 THR 53 2HG2 THR 53 8.306 4.295 7.258 232 HG23 THR 53 3HG2 THR 53 8.045 6.035 7.141 233 H ASP 54 H ASP 54 9.815 2.427 4.903 234 HA ASP 54 HA ASP 54 8.753 0.154 6.463 235 HB2 ASP 54 2HB ASP 54 10.813 -0.214 5.150 236 HB3 ASP 54 3HB ASP 54 11.479 1.270 5.628 237 H ILE 55 H ILE 55 8.366 0.061 8.453 238 HA ILE 55 HA ILE 55 9.406 2.073 10.389 239 HB ILE 55 HB ILE 55 7.212 2.198 11.453 240 HG12 ILE 55 2HG1 ILE 55 6.311 0.337 9.201 241 HG13 ILE 55 3HG1 ILE 55 6.147 0.182 10.894 242 HG21 ILE 55 1HG2 ILE 55 8.025 3.798 9.652 243 HG22 ILE 55 2HG2 ILE 55 6.967 2.934 8.518 244 HG23 ILE 55 3HG2 ILE 55 6.282 3.763 9.923 245 HD11 ILE 55 3HD1 ILE 55 4.716 2.212 9.112 246 HD12 ILE 55 1HD1 ILE 55 3.994 0.772 9.857 247 HD13 ILE 55 2HD1 ILE 55 4.522 2.131 10.879 248 H SER 56 H SER 56 10.217 -0.604 9.613 249 HA SER 56 HA SER 56 10.446 -1.846 12.299 250 HB2 SER 56 2HB SER 56 8.760 -3.023 11.053 251 HB3 SER 56 3HB SER 56 9.863 -3.238 9.711 252 HG SER 56 HG SER 56 10.218 -4.275 12.383 253 H GLY 57 H GLY 57 12.229 -0.146 11.922 254 HA2 GLY 57 2HA GLY 57 14.198 -0.197 10.055 255 HA3 GLY 57 3HA GLY 57 14.440 0.310 11.714 256 H GLY 58 H GLY 58 13.924 -2.746 12.374 257 HA2 GLY 58 2HA GLY 58 16.737 -3.689 11.905 258 HA3 GLY 58 3HA GLY 58 15.873 -3.862 13.431 259 H CYS 59 H CYS 59 13.471 -4.478 11.346 260 HA CYS 59 HA CYS 59 14.129 -7.357 10.864 261 HB2 CYS 59 2HB CYS 59 12.524 -6.330 13.004 262 HB3 CYS 59 3HB CYS 59 11.401 -7.030 11.845 263 HG CYS 59 HG CYS 59 12.126 -8.690 13.841 264 H GLY 60 H GLY 60 12.424 -4.520 9.888 265 HA2 GLY 60 2HA GLY 60 11.147 -3.891 8.247 266 HA3 GLY 60 3HA GLY 60 11.961 -5.126 7.228 267 H ALA 61 H ALA 61 9.729 -5.569 9.979 268 HA ALA 61 HA ALA 61 7.965 -7.327 8.395 269 HB1 ALA 61 1HB ALA 61 8.782 -7.911 10.670 270 HB2 ALA 61 2HB ALA 61 7.923 -6.510 11.334 271 HB3 ALA 61 3HB ALA 61 7.004 -7.834 10.590 272 H MET 62 H MET 62 7.789 -4.088 9.839 273 HA MET 62 HA MET 62 4.974 -3.778 8.979 274 HB2 MET 62 2HB MET 62 6.686 -2.332 11.057 275 HB3 MET 62 3HB MET 62 5.174 -1.674 10.444 276 HG2 MET 62 2HG MET 62 3.884 -2.914 11.566 277 HG3 MET 62 3HG MET 62 4.819 -4.408 11.385 278 HE1 MET 62 3HE MET 62 7.302 -4.234 14.390 279 HE2 MET 62 1HE MET 62 6.761 -5.118 12.946 280 HE3 MET 62 2HE MET 62 7.659 -3.587 12.781 281 H TYR 63 H TYR 63 4.299 -2.180 7.714 282 HA TYR 63 HA TYR 63 6.166 -0.087 6.846 283 HB2 TYR 63 2HB TYR 63 4.645 -1.781 4.883 284 HB3 TYR 63 3HB TYR 63 5.473 -0.378 4.475 285 HD1 TYR 63 HD1 TYR 63 8.001 -0.423 4.247 286 HD2 TYR 63 HD2 TYR 63 5.737 -3.899 5.431 287 HE1 TYR 63 HE1 TYR 63 10.006 -1.826 3.972 288 HE2 TYR 63 HE2 TYR 63 7.720 -5.338 5.016 289 HH TYR 63 HH TYR 63 9.917 -5.372 4.647 290 H GLU 64 H GLU 64 5.232 1.757 6.326 291 HA GLU 64 HA GLU 64 2.333 2.260 6.640 292 HB2 GLU 64 2HB GLU 64 4.586 3.713 7.302 293 HB3 GLU 64 3HB GLU 64 4.235 4.388 5.711 294 HG2 GLU 64 2HG GLU 64 1.970 4.976 6.437 295 HG3 GLU 64 3HG GLU 64 2.256 4.146 7.969 296 H ILE 65 H ILE 65 0.961 2.607 4.839 297 HA ILE 65 HA ILE 65 2.219 3.268 2.227 298 HB ILE 65 HB ILE 65 0.072 1.149 2.595 299 HG12 ILE 65 2HG1 ILE 65 2.881 0.943 1.409 300 HG13 ILE 65 3HG1 ILE 65 2.408 0.369 3.005 301 HG21 ILE 65 1HG2 ILE 65 1.223 2.413 0.064 302 HG22 ILE 65 2HG2 ILE 65 0.155 0.988 0.072 303 HG23 ILE 65 3HG2 ILE 65 -0.458 2.522 0.629 304 HD11 ILE 65 3HD1 ILE 65 1.431 -0.753 0.358 305 HD12 ILE 65 1HD1 ILE 65 2.482 -1.516 1.545 306 HD13 ILE 65 2HD1 ILE 65 0.782 -1.203 1.958 307 H LYS 66 H LYS 66 1.302 4.985 1.307 308 HA LYS 66 HA LYS 66 -1.516 5.794 2.022 309 HB2 LYS 66 2HB LYS 66 0.958 7.457 1.534 310 HB3 LYS 66 3HB LYS 66 -0.635 8.104 1.149 311 HG2 LYS 66 2HG LYS 66 -1.377 7.927 3.435 312 HG3 LYS 66 3HG LYS 66 0.116 7.108 3.930 313 HD2 LYS 66 2HD LYS 66 1.427 9.131 3.262 314 HD3 LYS 66 3HD LYS 66 -0.071 9.903 2.700 315 HE2 LYS 66 2HE LYS 66 -0.945 9.661 5.091 316 HE3 LYS 66 3HE LYS 66 0.701 9.204 5.560 317 HZ1 LYS 66 3HZ LYS 66 -0.042 11.743 4.204 318 HZ2 LYS 66 1HZ LYS 66 1.459 11.383 4.703 319 HZ3 LYS 66 2HZ LYS 66 0.266 11.618 5.806 320 H ILE 67 H ILE 67 -2.934 5.616 0.435 321 HA ILE 67 HA ILE 67 -2.079 6.044 -2.333 322 HB ILE 67 HB ILE 67 -4.161 4.024 -1.565 323 HG12 ILE 67 2HG1 ILE 67 -1.180 3.761 -1.690 324 HG13 ILE 67 3HG1 ILE 67 -2.360 2.989 -0.710 325 HG21 ILE 67 1HG2 ILE 67 -2.727 4.647 -4.169 326 HG22 ILE 67 2HG2 ILE 67 -3.854 3.287 -3.928 327 HG23 ILE 67 3HG2 ILE 67 -4.440 4.918 -3.816 328 HD11 ILE 67 3HD1 ILE 67 -2.920 1.512 -2.678 329 HD12 ILE 67 1HD1 ILE 67 -1.668 2.361 -3.618 330 HD13 ILE 67 2HD1 ILE 67 -1.204 1.448 -2.186 331 H GLU 68 H GLU 68 -3.785 7.042 -3.679 332 HA GLU 68 HA GLU 68 -6.504 7.481 -2.632 333 HB2 GLU 68 2HB GLU 68 -5.268 9.421 -1.727 334 HB3 GLU 68 3HB GLU 68 -4.580 9.687 -3.215 335 HG2 GLU 68 2HG GLU 68 -6.803 10.323 -4.193 336 HG3 GLU 68 3HG GLU 68 -7.602 9.866 -2.708 337 H SER 69 H SER 69 -7.923 7.229 -4.355 338 HA SER 69 HA SER 69 -7.085 7.972 -7.095 339 HB2 SER 69 2HB SER 69 -6.082 5.675 -6.708 340 HB3 SER 69 3HB SER 69 -7.682 5.081 -6.345 341 HG SER 69 HG SER 69 -7.136 4.660 -8.477 342 H GLU 70 H GLU 70 -8.732 8.247 -8.459 343 HA GLU 70 HA GLU 70 -11.390 8.628 -7.698 344 HB2 GLU 70 2HB GLU 70 -9.984 8.039 -10.223 345 HB3 GLU 70 3HB GLU 70 -11.740 8.147 -10.268 346 HG2 GLU 70 2HG GLU 70 -11.534 10.439 -9.278 347 HG3 GLU 70 3HG GLU 70 -9.782 10.333 -9.500 348 H GLU 71 H GLU 71 -9.787 5.585 -8.483 349 HA GLU 71 HA GLU 71 -12.102 4.059 -9.223 350 HB2 GLU 71 2HB GLU 71 -10.682 2.231 -9.378 351 HB3 GLU 71 3HB GLU 71 -9.671 3.621 -9.770 352 HG2 GLU 71 2HG GLU 71 -9.106 3.553 -7.179 353 HG3 GLU 71 3HG GLU 71 -9.663 1.896 -7.295 354 H PHE 72 H PHE 72 -11.046 5.102 -6.140 355 HA PHE 72 HA PHE 72 -12.241 2.864 -4.664 356 HB2 PHE 72 2HB PHE 72 -10.614 5.319 -4.027 357 HB3 PHE 72 3HB PHE 72 -11.312 4.386 -2.753 358 HD1 PHE 72 1HD PHE 72 -8.355 5.131 -3.716 359 HD2 PHE 72 2HD PHE 72 -10.770 1.560 -3.603 360 HE1 PHE 72 1HE PHE 72 -6.321 3.766 -3.332 361 HE2 PHE 72 2HE PHE 72 -8.730 0.206 -3.269 362 HZ PHE 72 HZ PHE 72 -6.506 1.295 -3.152 363 H LYS 73 H LYS 73 -14.020 4.986 -6.174 364 HA LYS 73 HA LYS 73 -15.221 6.519 -3.996 365 HB2 LYS 73 2HB LYS 73 -16.615 7.636 -5.632 366 HB3 LYS 73 3HB LYS 73 -14.936 7.656 -6.093 367 HG2 LYS 73 2HG LYS 73 -15.838 7.150 -8.087 368 HG3 LYS 73 3HG LYS 73 -15.515 5.533 -7.472 369 HD2 LYS 73 2HD LYS 73 -18.045 5.600 -6.672 370 HD3 LYS 73 3HD LYS 73 -18.178 6.996 -7.760 371 HE2 LYS 73 2HE LYS 73 -17.294 5.718 -9.613 372 HE3 LYS 73 3HE LYS 73 -16.874 4.378 -8.546 373 HZ1 LYS 73 3HZ LYS 73 -19.286 3.871 -8.375 374 HZ2 LYS 73 1HZ LYS 73 -18.916 4.116 -9.962 375 HZ3 LYS 73 2HZ LYS 73 -19.671 5.283 -9.151 376 H GLU 74 H GLU 74 -16.026 3.481 -5.260 377 HA GLU 74 HA GLU 74 -18.633 3.534 -3.796 378 HB2 GLU 74 2HB GLU 74 -18.425 3.296 -6.450 379 HB3 GLU 74 3HB GLU 74 -18.108 1.607 -6.056 380 HG2 GLU 74 2HG GLU 74 -20.254 1.584 -4.737 381 HG3 GLU 74 3HG GLU 74 -20.529 3.268 -5.204 382 H LYS 75 H LYS 75 -16.074 3.042 -2.665 383 HA LYS 75 HA LYS 75 -16.109 0.129 -1.946 384 HB2 LYS 75 2HB LYS 75 -13.751 2.014 -2.296 385 HB3 LYS 75 3HB LYS 75 -13.636 0.383 -1.641 386 HG2 LYS 75 2HG LYS 75 -14.705 0.981 -4.427 387 HG3 LYS 75 3HG LYS 75 -13.013 0.653 -4.053 388 HD2 LYS 75 2HD LYS 75 -13.486 -1.548 -3.245 389 HD3 LYS 75 3HD LYS 75 -15.252 -1.316 -3.406 390 HE2 LYS 75 2HE LYS 75 -15.100 -1.061 -5.759 391 HE3 LYS 75 3HE LYS 75 -13.334 -0.953 -5.710 392 HZ1 LYS 75 3HZ LYS 75 -13.364 -3.315 -4.852 393 HZ2 LYS 75 1HZ LYS 75 -13.828 -3.168 -6.401 394 HZ3 LYS 75 2HZ LYS 75 -14.955 -3.401 -5.233 395 H ARG 76 H ARG 76 -16.363 -0.354 0.089 396 HA ARG 76 HA ARG 76 -16.506 1.477 2.259 397 HB2 ARG 76 2HB ARG 76 -15.792 -1.450 2.543 398 HB3 ARG 76 3HB ARG 76 -16.721 -0.400 3.520 399 HG2 ARG 76 2HG ARG 76 -18.469 -0.265 1.625 400 HG3 ARG 76 3HG ARG 76 -17.680 -1.739 1.037 401 HD2 ARG 76 2HD ARG 76 -18.054 -2.802 3.252 402 HD3 ARG 76 3HD ARG 76 -18.854 -1.327 3.810 403 HE ARG 76 HE ARG 76 -19.947 -3.392 2.024 404 HH11 ARG 76 1HH1 ARG 76 -20.412 -0.027 3.012 405 HH12 ARG 76 2HH1 ARG 76 -22.089 -0.074 2.483 406 HH21 ARG 76 2HH2 ARG 76 -22.993 -1.899 1.680 407 HH22 ARG 76 1HH2 ARG 76 -21.993 -3.309 1.399 408 H THR 77 H THR 77 -14.987 1.457 4.145 409 HA THR 77 HA THR 77 -12.271 1.872 3.777 410 HB THR 77 HB THR 77 -13.662 0.434 6.039 411 HG1 THR 77 1HG THR 77 -13.962 2.417 6.899 412 HG21 THR 77 1HG2 THR 77 -11.223 0.255 6.378 413 HG22 THR 77 2HG2 THR 77 -11.831 1.495 7.479 414 HG23 THR 77 3HG2 THR 77 -11.002 1.971 5.980 415 H VAL 78 H VAL 78 -13.641 -1.263 4.755 416 HA VAL 78 HA VAL 78 -11.274 -2.802 4.528 417 HB VAL 78 HB VAL 78 -13.147 -3.492 5.821 418 HG11 VAL 78 1HG1 VAL 78 -14.994 -2.590 4.476 419 HG12 VAL 78 2HG1 VAL 78 -14.748 -3.890 3.276 420 HG13 VAL 78 3HG1 VAL 78 -15.255 -4.272 4.927 421 HG21 VAL 78 3HG2 VAL 78 -12.769 -5.506 3.567 422 HG22 VAL 78 1HG2 VAL 78 -11.675 -5.269 4.949 423 HG23 VAL 78 2HG2 VAL 78 -13.329 -5.839 5.215 424 H GLN 79 H GLN 79 -13.702 -2.043 2.088 425 HA GLN 79 HA GLN 79 -12.592 -3.892 0.115 426 HB2 GLN 79 2HB GLN 79 -14.598 -1.636 -0.294 427 HB3 GLN 79 3HB GLN 79 -14.139 -2.883 -1.452 428 HG2 GLN 79 2HG GLN 79 -14.858 -4.474 0.599 429 HG3 GLN 79 3HG GLN 79 -15.942 -3.130 0.903 430 HE21 GLN 79 2HE2 GLN 79 -17.747 -3.808 -2.225 431 HE22 GLN 79 1HE2 GLN 79 -17.460 -2.497 -1.114 432 H GLN 80 H GLN 80 -12.054 -0.455 0.859 433 HA GLN 80 HA GLN 80 -10.379 0.100 -1.457 434 HB2 GLN 80 2HB GLN 80 -10.373 1.300 1.358 435 HB3 GLN 80 3HB GLN 80 -9.464 1.921 -0.017 436 HG2 GLN 80 2HG GLN 80 -11.425 2.654 -1.143 437 HG3 GLN 80 3HG GLN 80 -12.477 1.712 -0.109 438 HE21 GLN 80 2HE2 GLN 80 -13.156 4.733 1.597 439 HE22 GLN 80 1HE2 GLN 80 -13.780 3.416 0.627 440 H HIS 81 H HIS 81 -9.616 -0.805 1.966 441 HA HIS 81 HA HIS 81 -6.851 -1.191 1.681 442 HB2 HIS 81 2HB HIS 81 -8.852 -2.606 3.476 443 HB3 HIS 81 3HB HIS 81 -7.107 -2.730 3.643 444 HD1 HIS 81 1HD HIS 81 -9.126 -1.407 5.822 445 HD2 HIS 81 2HD HIS 81 -6.488 0.503 3.165 446 HE1 HIS 81 1HE HIS 81 -8.565 0.866 6.857 447 H GLN 82 H GLN 82 -9.377 -3.741 1.173 448 HA GLN 82 HA GLN 82 -7.841 -5.947 0.662 449 HB2 GLN 82 2HB GLN 82 -10.207 -6.068 0.731 450 HB3 GLN 82 3HB GLN 82 -10.402 -4.960 -0.605 451 HG2 GLN 82 2HG GLN 82 -10.924 -7.255 -1.241 452 HG3 GLN 82 3HG GLN 82 -9.617 -6.603 -2.208 453 HE21 GLN 82 2HE2 GLN 82 -7.756 -9.530 -1.543 454 HE22 GLN 82 1HE2 GLN 82 -8.305 -8.346 -2.729 455 H MET 83 H MET 83 -8.503 -3.360 -1.759 456 HA MET 83 HA MET 83 -7.227 -4.683 -3.963 457 HB2 MET 83 2HB MET 83 -7.622 -1.700 -3.480 458 HB3 MET 83 3HB MET 83 -7.354 -2.476 -5.044 459 HG2 MET 83 2HG MET 83 -9.421 -3.679 -4.868 460 HG3 MET 83 3HG MET 83 -9.726 -3.118 -3.254 461 HE1 MET 83 3HE MET 83 -10.087 -0.251 -6.857 462 HE2 MET 83 1HE MET 83 -8.561 -0.362 -5.953 463 HE3 MET 83 2HE MET 83 -9.159 -1.764 -6.875 464 H VAL 84 H VAL 84 -6.095 -2.347 -1.627 465 HA VAL 84 HA VAL 84 -3.367 -2.084 -2.634 466 HB VAL 84 HB VAL 84 -4.181 -1.559 0.227 467 HG11 VAL 84 1HG1 VAL 84 -1.899 -1.122 -0.020 468 HG12 VAL 84 2HG1 VAL 84 -2.099 -0.476 -1.651 469 HG13 VAL 84 3HG1 VAL 84 -2.617 0.498 -0.260 470 HG21 VAL 84 3HG2 VAL 84 -5.935 -0.485 -0.940 471 HG22 VAL 84 1HG2 VAL 84 -4.816 0.741 -0.401 472 HG23 VAL 84 2HG2 VAL 84 -4.802 0.239 -2.115 473 H ASN 85 H ASN 85 -4.969 -4.321 -0.473 474 HA ASN 85 HA ASN 85 -2.637 -5.393 0.929 475 HB2 ASN 85 2HB ASN 85 -5.586 -5.988 0.674 476 HB3 ASN 85 3HB ASN 85 -4.540 -7.319 1.167 477 HD21 ASN 85 2HD2 ASN 85 -5.121 -4.205 3.732 478 HD22 ASN 85 1HD2 ASN 85 -5.159 -3.920 1.993 479 H GLN 86 H GLN 86 -4.776 -6.488 -1.770 480 HA GLN 86 HA GLN 86 -3.206 -8.819 -2.279 481 HB2 GLN 86 2HB GLN 86 -5.641 -7.563 -3.257 482 HB3 GLN 86 3HB GLN 86 -4.653 -8.025 -4.597 483 HG2 GLN 86 2HG GLN 86 -5.714 -9.773 -2.351 484 HG3 GLN 86 3HG GLN 86 -6.153 -9.847 -4.060 485 HE21 GLN 86 2HE2 GLN 86 -3.007 -11.617 -4.871 486 HE22 GLN 86 1HE2 GLN 86 -3.776 -10.125 -5.430 487 H ALA 87 H ALA 87 -2.662 -5.542 -3.264 488 HA ALA 87 HA ALA 87 -1.310 -5.874 -5.730 489 HB1 ALA 87 1HB ALA 87 -0.810 -3.852 -3.488 490 HB2 ALA 87 2HB ALA 87 -0.322 -3.679 -5.181 491 HB3 ALA 87 3HB ALA 87 -2.048 -3.703 -4.757 492 H LEU 88 H LEU 88 -0.103 -6.119 -2.381 493 HA LEU 88 HA LEU 88 2.478 -7.197 -3.456 494 HB2 LEU 88 2HB LEU 88 3.715 -6.078 -1.971 495 HB3 LEU 88 3HB LEU 88 2.580 -4.906 -2.596 496 HG LEU 88 HG LEU 88 2.838 -4.348 -0.362 497 HD11 LEU 88 1HD1 LEU 88 0.436 -4.443 -0.958 498 HD12 LEU 88 2HD1 LEU 88 0.756 -4.634 0.772 499 HD13 LEU 88 3HD1 LEU 88 0.349 -6.053 -0.195 500 HD21 LEU 88 3HD2 LEU 88 2.357 -7.165 0.637 501 HD22 LEU 88 1HD2 LEU 88 2.949 -5.755 1.516 502 HD23 LEU 88 2HD2 LEU 88 3.971 -6.473 0.259 503 H LYS 89 H LYS 89 -0.206 -8.251 -1.747 504 HA LYS 89 HA LYS 89 0.764 -9.739 0.379 505 HB2 LYS 89 2HB LYS 89 -1.534 -9.425 -0.016 506 HB3 LYS 89 3HB LYS 89 -1.465 -10.048 -1.664 507 HG2 LYS 89 2HG LYS 89 -1.552 -12.229 -1.043 508 HG3 LYS 89 3HG LYS 89 -0.834 -11.988 0.542 509 HD2 LYS 89 2HD LYS 89 -2.846 -11.225 1.494 510 HD3 LYS 89 3HD LYS 89 -3.476 -10.602 -0.044 511 HE2 LYS 89 2HE LYS 89 -3.802 -12.841 -0.882 512 HE3 LYS 89 3HE LYS 89 -3.245 -13.536 0.653 513 HZ1 LYS 89 3HZ LYS 89 -5.093 -12.502 1.773 514 HZ2 LYS 89 1HZ LYS 89 -5.713 -13.331 0.501 515 HZ3 LYS 89 2HZ LYS 89 -5.585 -11.689 0.449 516 H GLU 90 H GLU 90 1.060 -10.511 -3.101 517 HA GLU 90 HA GLU 90 1.733 -13.243 -2.477 518 HB2 GLU 90 2HB GLU 90 1.131 -11.593 -4.919 519 HB3 GLU 90 3HB GLU 90 1.814 -13.182 -5.057 520 HG2 GLU 90 2HG GLU 90 -0.091 -14.155 -3.813 521 HG3 GLU 90 3HG GLU 90 -0.733 -12.544 -3.504 522 H GLU 91 H GLU 91 3.375 -10.357 -2.466 523 HA GLU 91 HA GLU 91 6.075 -11.491 -2.999 524 HB2 GLU 91 2HB GLU 91 4.824 -8.747 -2.937 525 HB3 GLU 91 3HB GLU 91 6.453 -8.886 -2.341 526 HG2 GLU 91 2HG GLU 91 6.212 -8.164 -4.659 527 HG3 GLU 91 3HG GLU 91 7.316 -9.515 -4.426 528 H ILE 92 H ILE 92 4.142 -9.764 -0.545 529 HA ILE 92 HA ILE 92 5.557 -11.070 1.704 530 HB ILE 92 HB ILE 92 5.136 -8.061 1.520 531 HG12 ILE 92 2HG1 ILE 92 7.669 -9.726 1.392 532 HG13 ILE 92 3HG1 ILE 92 7.027 -8.654 0.143 533 HG21 ILE 92 1HG2 ILE 92 6.365 -9.763 3.741 534 HG22 ILE 92 2HG2 ILE 92 6.183 -7.995 3.748 535 HG23 ILE 92 3HG2 ILE 92 4.759 -8.996 3.799 536 HD11 ILE 92 3HD1 ILE 92 7.351 -6.723 1.706 537 HD12 ILE 92 1HD1 ILE 92 8.203 -7.847 2.800 538 HD13 ILE 92 2HD1 ILE 92 8.848 -7.535 1.178 539 H LYS 93 H LYS 93 3.722 -12.138 2.594 540 HA LYS 93 HA LYS 93 1.119 -10.950 2.197 541 HB2 LYS 93 2HB LYS 93 0.346 -13.023 3.031 542 HB3 LYS 93 3HB LYS 93 1.627 -13.370 1.885 543 HG2 LYS 93 2HG LYS 93 3.158 -13.682 3.924 544 HG3 LYS 93 3HG LYS 93 1.732 -13.447 4.928 545 HD2 LYS 93 2HD LYS 93 2.057 -15.761 4.808 546 HD3 LYS 93 3HD LYS 93 0.680 -15.447 3.746 547 HE2 LYS 93 2HE LYS 93 2.113 -15.665 1.767 548 HE3 LYS 93 3HE LYS 93 3.559 -15.726 2.784 549 HZ1 LYS 93 3HZ LYS 93 2.669 -17.828 3.741 550 HZ2 LYS 93 1HZ LYS 93 3.021 -17.932 2.146 551 HZ3 LYS 93 2HZ LYS 93 1.457 -17.809 2.629 552 H GLU 94 H GLU 94 3.211 -10.354 4.464 553 HA GLU 94 HA GLU 94 1.901 -10.699 6.931 554 HB2 GLU 94 2HB GLU 94 4.474 -10.132 5.937 555 HB3 GLU 94 3HB GLU 94 4.202 -8.883 7.071 556 HG2 GLU 94 2HG GLU 94 3.617 -10.583 8.808 557 HG3 GLU 94 3HG GLU 94 3.821 -11.865 7.613 558 H MET 95 H MET 95 0.061 -9.118 5.579 559 HA MET 95 HA MET 95 0.220 -6.371 6.272 560 HB2 MET 95 2HB MET 95 -2.092 -8.134 5.448 561 HB3 MET 95 3HB MET 95 -2.352 -6.461 5.926 562 HG2 MET 95 2HG MET 95 -2.123 -6.451 3.566 563 HG3 MET 95 3HG MET 95 -0.722 -5.670 4.260 564 HE1 MET 95 3HE MET 95 -0.803 -9.765 2.150 565 HE2 MET 95 1HE MET 95 -1.722 -9.443 3.630 566 HE3 MET 95 2HE MET 95 -2.130 -8.578 2.129 567 H HIS 96 H HIS 96 0.167 -8.694 8.519 568 HA HIS 96 HA HIS 96 -1.404 -7.501 10.656 569 HB2 HIS 96 2HB HIS 96 -0.502 -9.791 10.724 570 HB3 HIS 96 3HB HIS 96 1.145 -9.177 10.603 571 HD1 HIS 96 1HD HIS 96 -1.469 -10.029 13.140 572 HD2 HIS 96 2HD HIS 96 2.123 -7.846 12.859 573 HE1 HIS 96 1HE HIS 96 -0.629 -9.712 15.531 574 H GLY 97 H GLY 97 1.584 -6.714 9.135 575 HA2 GLY 97 2HA GLY 97 2.416 -4.648 11.145 576 HA3 GLY 97 3HA GLY 97 3.384 -5.370 9.881 577 H LEU 98 H LEU 98 0.692 -4.762 8.201 578 HA LEU 98 HA LEU 98 1.969 -2.274 7.167 579 HB2 LEU 98 2HB LEU 98 0.405 -4.344 5.697 580 HB3 LEU 98 3HB LEU 98 0.626 -2.696 5.115 581 HG LEU 98 HG LEU 98 3.165 -3.048 5.727 582 HD11 LEU 98 1HD1 LEU 98 3.066 -5.189 6.784 583 HD12 LEU 98 2HD1 LEU 98 3.997 -5.277 5.293 584 HD13 LEU 98 3HD1 LEU 98 2.339 -5.918 5.321 585 HD21 LEU 98 3HD2 LEU 98 3.624 -3.811 3.495 586 HD22 LEU 98 1HD2 LEU 98 2.344 -2.590 3.564 587 HD23 LEU 98 2HD2 LEU 98 1.914 -4.310 3.298 588 H ARG 99 H ARG 99 1.232 -0.496 7.356 589 HA ARG 99 HA ARG 99 -1.495 0.061 8.486 590 HB2 ARG 99 2HB ARG 99 0.670 0.581 9.739 591 HB3 ARG 99 3HB ARG 99 0.917 1.873 8.554 592 HG2 ARG 99 2HG ARG 99 -1.452 2.689 9.157 593 HG3 ARG 99 3HG ARG 99 -1.451 1.472 10.445 594 HD2 ARG 99 2HD ARG 99 0.685 2.492 11.315 595 HD3 ARG 99 3HD ARG 99 0.499 3.743 10.070 596 HE ARG 99 HE ARG 99 -1.896 3.457 11.687 597 HH11 ARG 99 1HH1 ARG 99 1.236 5.166 11.747 598 HH12 ARG 99 2HH1 ARG 99 0.560 6.278 12.948 599 HH21 ARG 99 2HH2 ARG 99 -1.329 6.137 13.705 600 HH22 ARG 99 1HH2 ARG 99 -2.363 4.733 13.374 601 H ILE 100 H ILE 100 -2.840 0.383 6.800 602 HA ILE 100 HA ILE 100 -1.860 2.019 4.482 603 HB ILE 100 HB ILE 100 -4.209 0.098 4.319 604 HG12 ILE 100 2HG1 ILE 100 -1.308 -0.737 3.992 605 HG13 ILE 100 3HG1 ILE 100 -2.531 -1.348 5.129 606 HG21 ILE 100 1HG2 ILE 100 -3.892 1.727 2.476 607 HG22 ILE 100 2HG2 ILE 100 -2.257 1.088 2.205 608 HG23 ILE 100 3HG2 ILE 100 -3.703 0.087 1.934 609 HD11 ILE 100 3HD1 ILE 100 -2.387 -3.008 3.481 610 HD12 ILE 100 1HD1 ILE 100 -3.891 -2.110 3.162 611 HD13 ILE 100 2HD1 ILE 100 -2.448 -1.841 2.154 612 H PHE 101 H PHE 101 -2.704 3.462 3.631 613 HA PHE 101 HA PHE 101 -5.058 4.825 4.828 614 HB2 PHE 101 2HB PHE 101 -2.277 5.687 3.923 615 HB3 PHE 101 3HB PHE 101 -3.521 6.792 4.277 616 HD1 PHE 101 1HD PHE 101 -1.055 4.492 5.604 617 HD2 PHE 101 2HD PHE 101 -4.257 7.165 6.673 618 HE1 PHE 101 1HE PHE 101 -0.282 4.459 7.930 619 HE2 PHE 101 2HE PHE 101 -3.467 7.159 9.029 620 HZ PHE 101 HZ PHE 101 -1.478 5.815 9.675 621 H THR 102 H THR 102 -6.609 5.174 3.294 622 HA THR 102 HA THR 102 -5.900 5.450 0.360 623 HB THR 102 HB THR 102 -8.049 4.193 -0.081 624 HG1 THR 102 1HG THR 102 -9.134 3.824 1.670 625 HG21 THR 102 1HG2 THR 102 -5.827 2.586 1.253 626 HG22 THR 102 2HG2 THR 102 -5.879 3.096 -0.449 627 HG23 THR 102 3HG2 THR 102 -7.067 1.937 0.159 628 H SER 103 H SER 103 -7.024 6.961 -0.663 629 HA SER 103 HA SER 103 -9.651 7.788 0.365 630 HB2 SER 103 2HB SER 103 -8.710 9.537 1.314 631 HB3 SER 103 3HB SER 103 -7.301 9.557 0.236 632 HG SER 103 HG SER 103 -8.165 11.194 -0.628 633 H VAL 104 H VAL 104 -10.330 9.582 -1.330 634 HA VAL 104 HA VAL 104 -9.916 8.774 -4.094 635 HB VAL 104 HB VAL 104 -11.494 7.088 -3.476 636 HG11 VAL 104 1HG1 VAL 104 -13.698 7.419 -2.729 637 HG12 VAL 104 2HG1 VAL 104 -12.587 8.153 -1.553 638 HG13 VAL 104 3HG1 VAL 104 -13.490 9.184 -2.702 639 HG21 VAL 104 3HG2 VAL 104 -13.137 9.075 -5.065 640 HG22 VAL 104 1HG2 VAL 104 -11.709 8.267 -5.703 641 HG23 VAL 104 2HG2 VAL 104 -13.048 7.301 -5.203 642 HA PRO 105 HA PRO 105 -10.927 13.126 -4.163 643 HB2 PRO 105 2HB PRO 105 -10.702 13.618 -6.839 644 HB3 PRO 105 3HB PRO 105 -9.357 13.429 -5.678 645 HG2 PRO 105 2HG PRO 105 -10.469 11.406 -7.609 646 HG3 PRO 105 3HG PRO 105 -8.765 11.652 -7.204 647 HD2 PRO 105 2HD PRO 105 -10.245 9.652 -6.128 648 HD3 PRO 105 3HD PRO 105 -8.871 10.362 -5.345 649 H LYS 106 H LYS 106 -12.917 13.043 -3.409 650 HA LYS 106 HA LYS 106 -15.335 12.968 -5.108 651 HB2 LYS 106 2HB LYS 106 -14.751 10.632 -4.417 652 HB3 LYS 106 3HB LYS 106 -14.751 11.151 -2.719 653 HG2 LYS 106 2HG LYS 106 -17.087 11.829 -2.959 654 HG3 LYS 106 3HG LYS 106 -17.107 11.259 -4.634 655 HD2 LYS 106 2HD LYS 106 -16.328 8.949 -3.528 656 HD3 LYS 106 3HD LYS 106 -17.041 9.656 -2.066 657 HE2 LYS 106 2HE LYS 106 -19.138 10.093 -3.509 658 HE3 LYS 106 3HE LYS 106 -18.383 9.090 -4.750 659 HZ1 LYS 106 3HZ LYS 106 -19.161 8.195 -2.011 660 HZ2 LYS 106 1HZ LYS 106 -18.362 7.243 -3.081 661 HZ3 LYS 106 2HZ LYS 106 -19.868 7.735 -3.408 662 H ARG 107 H ARG 107 -15.130 15.261 -4.557 663 HA ARG 107 HA ARG 107 -16.284 16.026 -1.921 664 HB2 ARG 107 2HB ARG 107 -13.849 17.109 -3.392 665 HB3 ARG 107 3HB ARG 107 -14.771 18.128 -2.329 666 HG2 ARG 107 2HG ARG 107 -13.493 15.512 -1.447 667 HG3 ARG 107 3HG ARG 107 -12.710 17.088 -1.310 668 HD2 ARG 107 2HD ARG 107 -14.538 17.885 0.147 669 HD3 ARG 107 3HD ARG 107 -15.321 16.306 0.043 670 HE ARG 107 HE ARG 107 -13.322 15.321 1.164 671 HH11 ARG 107 1HH1 ARG 107 -13.935 18.748 1.797 672 HH12 ARG 107 2HH1 ARG 107 -13.169 18.619 3.355 673 HH21 ARG 107 2HH2 ARG 107 -12.391 16.726 4.104 674 HH22 ARG 107 1HH2 ARG 107 -12.446 15.293 3.083 Start of MODEL 5 1 H1 ALA 27 H1 ALA 27 12.656 9.113 2.495 2 H2 ALA 27 H2 ALA 27 12.251 8.311 3.883 3 H3 ALA 27 H3 ALA 27 12.573 7.472 2.486 4 HA ALA 27 HA ALA 27 14.807 8.294 2.469 5 HB1 ALA 27 1HB ALA 27 14.494 10.353 3.676 6 HB2 ALA 27 2HB ALA 27 14.056 9.486 5.156 7 HB3 ALA 27 3HB ALA 27 15.712 9.370 4.507 8 H THR 28 H THR 28 13.621 7.216 5.755 9 HA THR 28 HA THR 28 15.590 5.136 5.935 10 HB THR 28 HB THR 28 13.031 5.688 7.384 11 HG1 THR 28 1HG THR 28 14.697 6.971 7.935 12 HG21 THR 28 1HG2 THR 28 14.977 3.425 7.970 13 HG22 THR 28 2HG2 THR 28 13.264 3.238 7.514 14 HG23 THR 28 3HG2 THR 28 13.687 3.996 9.051 15 H GLN 29 H GLN 29 15.688 3.076 5.130 16 HA GLN 29 HA GLN 29 13.323 2.068 3.625 17 HB2 GLN 29 2HB GLN 29 15.663 3.439 2.522 18 HB3 GLN 29 3HB GLN 29 15.589 1.777 1.901 19 HG2 GLN 29 2HG GLN 29 13.301 2.047 1.205 20 HG3 GLN 29 3HG GLN 29 13.180 3.592 2.034 21 HE21 GLN 29 2HE2 GLN 29 13.198 4.600 -1.355 22 HE22 GLN 29 1HE2 GLN 29 12.222 4.093 0.027 23 H THR 30 H THR 30 13.365 0.046 2.776 24 HA THR 30 HA THR 30 15.553 -1.810 3.434 25 HB THR 30 HB THR 30 13.973 -3.684 3.603 26 HG1 THR 30 1HG THR 30 11.769 -3.122 3.947 27 HG21 THR 30 1HG2 THR 30 14.730 -2.719 5.724 28 HG22 THR 30 2HG2 THR 30 13.033 -3.218 5.855 29 HG23 THR 30 3HG2 THR 30 13.441 -1.508 5.653 30 H GLU 31 H GLU 31 15.489 -3.674 1.733 31 HA GLU 31 HA GLU 31 14.722 -2.773 -0.933 32 HB2 GLU 31 2HB GLU 31 15.720 -5.358 0.293 33 HB3 GLU 31 3HB GLU 31 15.114 -5.307 -1.361 34 HG2 GLU 31 2HG GLU 31 16.728 -3.579 -1.983 35 HG3 GLU 31 3HG GLU 31 17.305 -3.469 -0.316 36 H GLY 32 H GLY 32 12.967 -4.217 1.651 37 HA2 GLY 32 2HA GLY 32 10.759 -5.297 0.141 38 HA3 GLY 32 3HA GLY 32 10.749 -4.869 1.851 39 H GLU 33 H GLU 33 11.301 -2.118 1.775 40 HA GLU 33 HA GLU 33 8.996 -0.717 1.257 41 HB2 GLU 33 2HB GLU 33 11.379 -0.263 2.371 42 HB3 GLU 33 3HB GLU 33 11.751 0.487 0.838 43 HG2 GLU 33 2HG GLU 33 9.298 1.221 2.408 44 HG3 GLU 33 3HG GLU 33 10.860 1.807 2.914 45 H LEU 34 H LEU 34 11.783 -1.054 -0.941 46 HA LEU 34 HA LEU 34 10.774 0.427 -3.148 47 HB2 LEU 34 2HB LEU 34 12.741 -1.893 -3.279 48 HB3 LEU 34 3HB LEU 34 12.641 -0.493 -4.344 49 HG LEU 34 HG LEU 34 13.456 -0.510 -1.439 50 HD11 LEU 34 1HD1 LEU 34 15.713 -0.041 -2.263 51 HD12 LEU 34 2HD1 LEU 34 15.111 -0.063 -3.941 52 HD13 LEU 34 3HD1 LEU 34 15.107 -1.548 -2.971 53 HD21 LEU 34 3HD2 LEU 34 13.395 1.763 -3.473 54 HD22 LEU 34 1HD2 LEU 34 14.215 1.853 -1.904 55 HD23 LEU 34 2HD2 LEU 34 12.451 1.660 -1.969 56 H ARG 35 H ARG 35 10.984 -3.028 -2.559 57 HA ARG 35 HA ARG 35 9.824 -4.204 -4.892 58 HB2 ARG 35 2HB ARG 35 10.971 -5.498 -3.279 59 HB3 ARG 35 3HB ARG 35 9.869 -5.058 -1.983 60 HG2 ARG 35 2HG ARG 35 8.327 -6.595 -2.545 61 HG3 ARG 35 3HG ARG 35 8.404 -6.223 -4.255 62 HD2 ARG 35 2HD ARG 35 9.233 -8.335 -4.289 63 HD3 ARG 35 3HD ARG 35 10.749 -7.495 -4.149 64 HE ARG 35 HE ARG 35 10.574 -7.897 -1.612 65 HH11 ARG 35 1HH1 ARG 35 9.122 -10.324 -3.783 66 HH12 ARG 35 2HH1 ARG 35 9.368 -11.558 -2.573 67 HH21 ARG 35 2HH2 ARG 35 9.960 -11.040 -0.546 68 HH22 ARG 35 1HH2 ARG 35 10.675 -9.470 -0.207 69 H VAL 36 H VAL 36 8.227 -3.149 -1.875 70 HA VAL 36 HA VAL 36 5.607 -3.860 -2.871 71 HB VAL 36 HB VAL 36 6.585 -2.104 -0.548 72 HG11 VAL 36 1HG1 VAL 36 4.439 -1.173 -1.077 73 HG12 VAL 36 2HG1 VAL 36 3.713 -2.782 -1.269 74 HG13 VAL 36 3HG1 VAL 36 4.242 -2.213 0.334 75 HG21 VAL 36 3HG2 VAL 36 5.790 -3.958 0.865 76 HG22 VAL 36 1HG2 VAL 36 5.248 -4.843 -0.583 77 HG23 VAL 36 2HG2 VAL 36 6.969 -4.543 -0.305 78 H THR 37 H THR 37 7.426 -0.732 -2.599 79 HA THR 37 HA THR 37 5.418 0.909 -3.684 80 HB THR 37 HB THR 37 8.379 1.197 -4.115 81 HG1 THR 37 1HG THR 37 8.021 1.212 -1.935 82 HG21 THR 37 1HG2 THR 37 7.213 2.748 -5.585 83 HG22 THR 37 2HG2 THR 37 7.888 3.665 -4.247 84 HG23 THR 37 3HG2 THR 37 6.158 3.267 -4.252 85 H GLN 38 H GLN 38 7.798 -1.074 -5.420 86 HA GLN 38 HA GLN 38 7.289 -0.025 -8.018 87 HB2 GLN 38 2HB GLN 38 8.182 -2.819 -7.170 88 HB3 GLN 38 3HB GLN 38 8.139 -2.235 -8.809 89 HG2 GLN 38 2HG GLN 38 10.160 -1.777 -6.726 90 HG3 GLN 38 3HG GLN 38 10.318 -1.831 -8.450 91 HE21 GLN 38 2HE2 GLN 38 10.174 1.758 -6.539 92 HE22 GLN 38 1HE2 GLN 38 9.924 0.230 -5.699 93 H ILE 39 H ILE 39 5.658 -2.765 -6.320 94 HA ILE 39 HA ILE 39 3.940 -3.211 -8.677 95 HB ILE 39 HB ILE 39 3.559 -4.369 -5.890 96 HG12 ILE 39 2HG1 ILE 39 5.298 -5.406 -8.174 97 HG13 ILE 39 3HG1 ILE 39 5.868 -4.847 -6.616 98 HG21 ILE 39 1HG2 ILE 39 2.447 -6.169 -7.310 99 HG22 ILE 39 2HG2 ILE 39 1.639 -4.619 -7.347 100 HG23 ILE 39 3HG2 ILE 39 2.658 -5.122 -8.716 101 HD11 ILE 39 3HD1 ILE 39 4.615 -6.705 -5.499 102 HD12 ILE 39 1HD1 ILE 39 4.292 -7.380 -7.120 103 HD13 ILE 39 2HD1 ILE 39 5.954 -7.201 -6.559 104 H LEU 40 H LEU 40 3.631 -1.404 -5.635 105 HA LEU 40 HA LEU 40 0.873 -0.776 -5.827 106 HB2 LEU 40 2HB LEU 40 3.265 0.828 -4.802 107 HB3 LEU 40 3HB LEU 40 1.623 1.452 -4.768 108 HG LEU 40 HG LEU 40 2.682 -1.028 -3.373 109 HD11 LEU 40 1HD1 LEU 40 1.512 1.561 -2.286 110 HD12 LEU 40 2HD1 LEU 40 3.242 1.190 -2.414 111 HD13 LEU 40 3HD1 LEU 40 2.219 0.227 -1.338 112 HD21 LEU 40 3HD2 LEU 40 0.471 -1.683 -3.882 113 HD22 LEU 40 1HD2 LEU 40 -0.175 -0.060 -3.574 114 HD23 LEU 40 2HD2 LEU 40 0.402 -1.080 -2.230 115 H LYS 41 H LYS 41 3.534 0.843 -7.593 116 HA LYS 41 HA LYS 41 1.994 2.868 -8.792 117 HB2 LYS 41 2HB LYS 41 4.304 1.439 -10.157 118 HB3 LYS 41 3HB LYS 41 3.658 3.055 -10.513 119 HG2 LYS 41 2HG LYS 41 4.084 3.321 -7.856 120 HG3 LYS 41 3HG LYS 41 5.282 2.096 -8.220 121 HD2 LYS 41 2HD LYS 41 6.273 3.601 -9.966 122 HD3 LYS 41 3HD LYS 41 5.065 4.839 -9.526 123 HE2 LYS 41 2HE LYS 41 5.878 4.648 -7.132 124 HE3 LYS 41 3HE LYS 41 7.178 3.600 -7.712 125 HZ1 LYS 41 3HZ LYS 41 7.866 5.490 -9.180 126 HZ2 LYS 41 1HZ LYS 41 7.986 5.840 -7.588 127 HZ3 LYS 41 2HZ LYS 41 6.707 6.427 -8.469 128 H GLU 42 H GLU 42 2.138 -0.545 -9.690 129 HA GLU 42 HA GLU 42 0.880 -0.236 -12.209 130 HB2 GLU 42 2HB GLU 42 2.106 -2.219 -10.461 131 HB3 GLU 42 3HB GLU 42 1.317 -2.795 -11.768 132 HG2 GLU 42 2HG GLU 42 2.816 -1.504 -13.177 133 HG3 GLU 42 3HG GLU 42 3.700 -0.907 -11.778 134 H LYS 43 H LYS 43 0.038 -1.575 -8.971 135 HA LYS 43 HA LYS 43 -2.515 -2.322 -10.078 136 HB2 LYS 43 2HB LYS 43 -1.730 -2.079 -7.146 137 HB3 LYS 43 3HB LYS 43 -3.254 -2.715 -7.786 138 HG2 LYS 43 2HG LYS 43 -0.559 -3.976 -8.153 139 HG3 LYS 43 3HG LYS 43 -1.840 -4.519 -7.093 140 HD2 LYS 43 2HD LYS 43 -3.328 -5.099 -8.861 141 HD3 LYS 43 3HD LYS 43 -2.317 -4.311 -10.054 142 HE2 LYS 43 2HE LYS 43 -0.479 -5.999 -9.420 143 HE3 LYS 43 3HE LYS 43 -1.766 -6.907 -8.600 144 HZ1 LYS 43 3HZ LYS 43 -1.710 -6.101 -11.449 145 HZ2 LYS 43 1HZ LYS 43 -2.966 -6.894 -10.779 146 HZ3 LYS 43 2HZ LYS 43 -1.462 -7.619 -10.919 147 H PHE 44 H PHE 44 -1.146 0.580 -8.802 148 HA PHE 44 HA PHE 44 -3.734 1.863 -9.273 149 HB2 PHE 44 2HB PHE 44 -1.821 2.642 -7.031 150 HB3 PHE 44 3HB PHE 44 -3.448 3.265 -7.301 151 HD1 PHE 44 1HD PHE 44 -5.446 1.876 -6.908 152 HD2 PHE 44 2HD PHE 44 -1.503 0.487 -5.851 153 HE1 PHE 44 1HE PHE 44 -6.436 0.053 -5.547 154 HE2 PHE 44 2HE PHE 44 -2.496 -1.381 -4.561 155 HZ PHE 44 HZ PHE 44 -4.969 -1.589 -4.418 156 HA PRO 45 HA PRO 45 -0.862 4.388 -11.864 157 HB2 PRO 45 2HB PRO 45 -1.966 3.798 -14.319 158 HB3 PRO 45 3HB PRO 45 -0.617 2.880 -13.581 159 HG2 PRO 45 2HG PRO 45 -3.588 2.236 -13.449 160 HG3 PRO 45 3HG PRO 45 -2.246 1.145 -13.913 161 HD2 PRO 45 2HD PRO 45 -3.113 1.019 -11.430 162 HD3 PRO 45 3HD PRO 45 -1.407 1.115 -11.634 163 H ARG 46 H ARG 46 -4.330 4.038 -11.433 164 HA ARG 46 HA ARG 46 -4.843 6.743 -12.443 165 HB2 ARG 46 2HB ARG 46 -6.663 4.875 -10.892 166 HB3 ARG 46 3HB ARG 46 -7.131 6.337 -11.717 167 HG2 ARG 46 2HG ARG 46 -5.964 3.915 -13.147 168 HG3 ARG 46 3HG ARG 46 -7.675 4.221 -12.927 169 HD2 ARG 46 2HD ARG 46 -7.659 6.166 -14.317 170 HD3 ARG 46 3HD ARG 46 -5.893 6.225 -14.319 171 HE ARG 46 HE ARG 46 -5.760 4.491 -15.864 172 HH11 ARG 46 1HH1 ARG 46 -9.237 4.827 -15.153 173 HH12 ARG 46 2HH1 ARG 46 -9.572 3.728 -16.493 174 HH21 ARG 46 2HH2 ARG 46 -8.103 2.947 -17.719 175 HH22 ARG 46 1HH2 ARG 46 -6.375 3.273 -17.447 176 H ALA 47 H ALA 47 -3.370 5.709 -9.653 177 HA ALA 47 HA ALA 47 -4.710 7.159 -7.660 178 HB1 ALA 47 1HB ALA 47 -2.625 6.881 -6.345 179 HB2 ALA 47 2HB ALA 47 -3.135 5.393 -7.137 180 HB3 ALA 47 3HB ALA 47 -1.782 6.346 -7.804 181 H THR 48 H THR 48 -4.340 9.042 -6.568 182 HA THR 48 HA THR 48 -2.655 11.143 -7.874 183 HB THR 48 HB THR 48 -4.171 12.827 -7.040 184 HG1 THR 48 1HG THR 48 -5.701 12.351 -5.727 185 HG21 THR 48 1HG2 THR 48 -4.564 11.845 -9.324 186 HG22 THR 48 2HG2 THR 48 -6.037 12.470 -8.555 187 HG23 THR 48 3HG2 THR 48 -5.738 10.724 -8.603 188 H ALA 49 H ALA 49 -2.965 9.262 -4.968 189 HA ALA 49 HA ALA 49 -0.304 10.439 -4.530 190 HB1 ALA 49 1HB ALA 49 -2.173 9.861 -2.196 191 HB2 ALA 49 2HB ALA 49 -0.476 10.361 -2.101 192 HB3 ALA 49 3HB ALA 49 -1.683 11.477 -2.759 193 H ILE 50 H ILE 50 1.244 8.901 -3.991 194 HA ILE 50 HA ILE 50 0.585 6.297 -2.913 195 HB ILE 50 HB ILE 50 2.151 5.183 -4.728 196 HG12 ILE 50 2HG1 ILE 50 0.734 7.166 -6.547 197 HG13 ILE 50 3HG1 ILE 50 2.414 7.352 -6.040 198 HG21 ILE 50 1HG2 ILE 50 -0.148 4.495 -4.100 199 HG22 ILE 50 2HG2 ILE 50 -0.772 5.553 -5.385 200 HG23 ILE 50 3HG2 ILE 50 0.267 4.178 -5.786 201 HD11 ILE 50 3HD1 ILE 50 1.303 5.016 -7.644 202 HD12 ILE 50 1HD1 ILE 50 2.361 6.313 -8.223 203 HD13 ILE 50 2HD1 ILE 50 2.972 5.151 -7.033 204 H LYS 51 H LYS 51 1.947 6.138 -1.289 205 HA LYS 51 HA LYS 51 4.851 6.198 -1.758 206 HB2 LYS 51 2HB LYS 51 5.281 7.864 -0.076 207 HB3 LYS 51 3HB LYS 51 4.384 8.510 -1.427 208 HG2 LYS 51 2HG LYS 51 2.259 8.062 0.123 209 HG3 LYS 51 3HG LYS 51 3.468 8.013 1.413 210 HD2 LYS 51 2HD LYS 51 2.735 10.251 1.328 211 HD3 LYS 51 3HD LYS 51 4.293 10.270 0.473 212 HE2 LYS 51 2HE LYS 51 3.076 10.171 -1.714 213 HE3 LYS 51 3HE LYS 51 1.543 10.078 -0.856 214 HZ1 LYS 51 3HZ LYS 51 2.080 12.278 0.131 215 HZ2 LYS 51 1HZ LYS 51 1.939 12.330 -1.515 216 HZ3 LYS 51 2HZ LYS 51 3.420 12.383 -0.831 217 H VAL 52 H VAL 52 6.081 5.175 -0.243 218 HA VAL 52 HA VAL 52 4.713 3.536 1.854 219 HB VAL 52 HB VAL 52 7.048 2.669 0.117 220 HG11 VAL 52 1HG1 VAL 52 5.151 1.045 1.858 221 HG12 VAL 52 2HG1 VAL 52 6.407 0.375 0.795 222 HG13 VAL 52 3HG1 VAL 52 6.871 1.356 2.176 223 HG21 VAL 52 3HG2 VAL 52 4.102 2.047 -0.328 224 HG22 VAL 52 1HG2 VAL 52 5.190 2.925 -1.436 225 HG23 VAL 52 2HG2 VAL 52 5.461 1.226 -1.147 226 H THR 53 H THR 53 5.846 3.060 3.786 227 HA THR 53 HA THR 53 8.699 3.990 4.014 228 HB THR 53 HB THR 53 6.452 4.699 5.970 229 HG1 THR 53 1HG THR 53 6.343 6.150 4.428 230 HG21 THR 53 1HG2 THR 53 8.374 4.345 7.285 231 HG22 THR 53 2HG2 THR 53 8.183 6.085 7.094 232 HG23 THR 53 3HG2 THR 53 9.423 5.228 6.136 233 H ASP 54 H ASP 54 10.001 2.659 5.122 234 HA ASP 54 HA ASP 54 8.885 0.258 6.477 235 HB2 ASP 54 2HB ASP 54 11.022 -0.017 5.211 236 HB3 ASP 54 3HB ASP 54 11.645 1.440 5.838 237 H ILE 55 H ILE 55 8.415 0.096 8.446 238 HA ILE 55 HA ILE 55 9.407 2.011 10.505 239 HB ILE 55 HB ILE 55 7.183 2.045 11.536 240 HG12 ILE 55 2HG1 ILE 55 6.352 0.341 9.146 241 HG13 ILE 55 3HG1 ILE 55 6.094 0.120 10.807 242 HG21 ILE 55 1HG2 ILE 55 8.060 3.812 9.972 243 HG22 ILE 55 2HG2 ILE 55 7.086 3.067 8.679 244 HG23 ILE 55 3HG2 ILE 55 6.311 3.758 10.120 245 HD11 ILE 55 3HD1 ILE 55 4.484 2.080 10.807 246 HD12 ILE 55 1HD1 ILE 55 4.776 2.263 9.062 247 HD13 ILE 55 2HD1 ILE 55 4.005 0.794 9.676 248 H SER 56 H SER 56 10.356 -0.529 9.651 249 HA SER 56 HA SER 56 10.270 -2.141 12.144 250 HB2 SER 56 2HB SER 56 8.747 -2.993 10.546 251 HB3 SER 56 3HB SER 56 9.980 -3.104 9.321 252 HG SER 56 HG SER 56 10.403 -4.400 11.824 253 H GLY 57 H GLY 57 12.186 -0.463 12.186 254 HA2 GLY 57 2HA GLY 57 14.502 -0.817 10.625 255 HA3 GLY 57 3HA GLY 57 14.390 -0.065 12.199 256 H GLY 58 H GLY 58 13.532 -3.357 12.268 257 HA2 GLY 58 2HA GLY 58 16.286 -4.318 12.901 258 HA3 GLY 58 3HA GLY 58 14.990 -4.573 14.077 259 H CYS 59 H CYS 59 13.576 -4.758 11.066 260 HA CYS 59 HA CYS 59 14.148 -7.600 10.515 261 HB2 CYS 59 2HB CYS 59 12.446 -7.544 12.386 262 HB3 CYS 59 3HB CYS 59 11.356 -6.655 11.329 263 HG CYS 59 HG CYS 59 11.417 -8.502 9.359 264 H GLY 60 H GLY 60 12.330 -4.639 9.748 265 HA2 GLY 60 2HA GLY 60 11.285 -3.835 7.994 266 HA3 GLY 60 3HA GLY 60 12.166 -4.958 6.906 267 H ALA 61 H ALA 61 9.927 -5.729 9.553 268 HA ALA 61 HA ALA 61 8.117 -7.278 7.794 269 HB1 ALA 61 1HB ALA 61 7.274 -8.078 10.018 270 HB2 ALA 61 2HB ALA 61 8.999 -8.357 9.778 271 HB3 ALA 61 3HB ALA 61 8.455 -7.008 10.805 272 H MET 62 H MET 62 8.070 -4.202 9.474 273 HA MET 62 HA MET 62 5.181 -3.867 8.833 274 HB2 MET 62 2HB MET 62 6.865 -2.411 10.927 275 HB3 MET 62 3HB MET 62 5.333 -1.837 10.333 276 HG2 MET 62 2HG MET 62 4.140 -3.092 11.498 277 HG3 MET 62 3HG MET 62 5.064 -4.582 11.209 278 HE1 MET 62 3HE MET 62 7.221 -5.194 12.512 279 HE2 MET 62 1HE MET 62 8.017 -3.603 12.580 280 HE3 MET 62 2HE MET 62 7.712 -4.503 14.076 281 H TYR 63 H TYR 63 4.482 -2.246 7.587 282 HA TYR 63 HA TYR 63 6.330 -0.082 6.835 283 HB2 TYR 63 2HB TYR 63 4.809 -1.707 4.802 284 HB3 TYR 63 3HB TYR 63 5.590 -0.248 4.452 285 HD1 TYR 63 HD1 TYR 63 5.970 -3.789 5.263 286 HD2 TYR 63 HD2 TYR 63 8.094 -0.196 4.226 287 HE1 TYR 63 HE1 TYR 63 8.019 -5.129 4.907 288 HE2 TYR 63 HE2 TYR 63 10.174 -1.505 3.984 289 HH TYR 63 HH TYR 63 10.247 -5.015 4.768 290 H GLU 64 H GLU 64 5.351 1.798 6.253 291 HA GLU 64 HA GLU 64 2.435 2.183 6.660 292 HB2 GLU 64 2HB GLU 64 4.432 3.785 7.448 293 HB3 GLU 64 3HB GLU 64 4.416 4.277 5.755 294 HG2 GLU 64 2HG GLU 64 1.889 4.642 6.070 295 HG3 GLU 64 3HG GLU 64 2.212 4.440 7.782 296 H ILE 65 H ILE 65 1.049 2.495 4.880 297 HA ILE 65 HA ILE 65 2.253 3.204 2.243 298 HB ILE 65 HB ILE 65 0.060 1.130 2.623 299 HG12 ILE 65 2HG1 ILE 65 2.814 0.786 1.346 300 HG13 ILE 65 3HG1 ILE 65 2.434 0.305 2.995 301 HG21 ILE 65 1HG2 ILE 65 1.294 2.349 0.102 302 HG22 ILE 65 2HG2 ILE 65 0.129 1.003 0.106 303 HG23 ILE 65 3HG2 ILE 65 -0.374 2.575 0.671 304 HD11 ILE 65 3HD1 ILE 65 0.719 -1.280 2.177 305 HD12 ILE 65 1HD1 ILE 65 1.134 -0.867 0.498 306 HD13 ILE 65 2HD1 ILE 65 2.335 -1.625 1.528 307 H LYS 66 H LYS 66 1.341 4.975 1.425 308 HA LYS 66 HA LYS 66 -1.473 5.708 2.183 309 HB2 LYS 66 2HB LYS 66 0.946 7.494 1.840 310 HB3 LYS 66 3HB LYS 66 -0.706 8.093 1.675 311 HG2 LYS 66 2HG LYS 66 -1.223 7.752 3.939 312 HG3 LYS 66 3HG LYS 66 0.142 6.669 4.211 313 HD2 LYS 66 2HD LYS 66 1.709 8.605 3.850 314 HD3 LYS 66 3HD LYS 66 0.306 9.668 3.621 315 HE2 LYS 66 2HE LYS 66 -0.479 9.056 5.922 316 HE3 LYS 66 3HE LYS 66 0.971 8.068 6.135 317 HZ1 LYS 66 3HZ LYS 66 0.918 11.017 5.751 318 HZ2 LYS 66 1HZ LYS 66 2.294 10.116 5.822 319 HZ3 LYS 66 2HZ LYS 66 1.318 10.232 7.125 320 H ILE 67 H ILE 67 -2.793 5.548 0.556 321 HA ILE 67 HA ILE 67 -1.876 6.029 -2.204 322 HB ILE 67 HB ILE 67 -3.960 3.995 -1.461 323 HG12 ILE 67 2HG1 ILE 67 -0.988 3.764 -1.532 324 HG13 ILE 67 3HG1 ILE 67 -2.195 2.942 -0.631 325 HG21 ILE 67 1HG2 ILE 67 -4.260 4.886 -3.708 326 HG22 ILE 67 2HG2 ILE 67 -2.548 4.642 -4.070 327 HG23 ILE 67 3HG2 ILE 67 -3.655 3.267 -3.828 328 HD11 ILE 67 3HD1 ILE 67 -0.981 1.447 -2.109 329 HD12 ILE 67 1HD1 ILE 67 -2.672 1.533 -2.674 330 HD13 ILE 67 2HD1 ILE 67 -1.380 2.415 -3.527 331 H GLU 68 H GLU 68 -3.572 7.022 -3.563 332 HA GLU 68 HA GLU 68 -6.286 7.501 -2.499 333 HB2 GLU 68 2HB GLU 68 -4.945 9.379 -1.650 334 HB3 GLU 68 3HB GLU 68 -4.274 9.612 -3.161 335 HG2 GLU 68 2HG GLU 68 -6.334 10.568 -4.061 336 HG3 GLU 68 3HG GLU 68 -7.265 10.088 -2.668 337 H SER 69 H SER 69 -7.721 7.273 -4.280 338 HA SER 69 HA SER 69 -6.728 7.684 -7.039 339 HB2 SER 69 2HB SER 69 -5.910 5.377 -6.414 340 HB3 SER 69 3HB SER 69 -7.569 4.921 -6.088 341 HG SER 69 HG SER 69 -7.068 4.337 -8.219 342 H GLU 70 H GLU 70 -8.387 7.913 -8.558 343 HA GLU 70 HA GLU 70 -10.957 8.551 -7.619 344 HB2 GLU 70 2HB GLU 70 -11.411 9.114 -9.806 345 HB3 GLU 70 3HB GLU 70 -9.746 9.547 -9.506 346 HG2 GLU 70 2HG GLU 70 -8.984 7.528 -10.654 347 HG3 GLU 70 3HG GLU 70 -10.649 7.038 -10.992 348 H GLU 71 H GLU 71 -9.730 5.434 -8.250 349 HA GLU 71 HA GLU 71 -12.266 4.192 -9.020 350 HB2 GLU 71 2HB GLU 71 -11.097 2.179 -9.125 351 HB3 GLU 71 3HB GLU 71 -9.975 3.412 -9.694 352 HG2 GLU 71 2HG GLU 71 -9.250 3.427 -7.104 353 HG3 GLU 71 3HG GLU 71 -9.943 1.812 -7.136 354 H PHE 72 H PHE 72 -10.921 5.195 -5.979 355 HA PHE 72 HA PHE 72 -12.016 2.964 -4.479 356 HB2 PHE 72 2HB PHE 72 -10.417 5.452 -3.919 357 HB3 PHE 72 3HB PHE 72 -11.095 4.595 -2.597 358 HD1 PHE 72 1HD PHE 72 -10.583 1.657 -3.658 359 HD2 PHE 72 2HD PHE 72 -8.169 5.224 -3.386 360 HE1 PHE 72 1HE PHE 72 -8.558 0.271 -3.401 361 HE2 PHE 72 2HE PHE 72 -6.148 3.820 -3.110 362 HZ PHE 72 HZ PHE 72 -6.336 1.356 -3.120 363 H LYS 73 H LYS 73 -13.765 5.405 -5.732 364 HA LYS 73 HA LYS 73 -15.121 6.340 -3.315 365 HB2 LYS 73 2HB LYS 73 -16.667 7.520 -4.933 366 HB3 LYS 73 3HB LYS 73 -14.993 8.008 -4.986 367 HG2 LYS 73 2HG LYS 73 -14.585 6.780 -7.021 368 HG3 LYS 73 3HG LYS 73 -16.144 5.931 -6.920 369 HD2 LYS 73 2HD LYS 73 -17.380 7.918 -7.300 370 HD3 LYS 73 3HD LYS 73 -15.946 8.952 -7.081 371 HE2 LYS 73 2HE LYS 73 -14.944 7.714 -9.114 372 HE3 LYS 73 3HE LYS 73 -16.578 7.075 -9.389 373 HZ1 LYS 73 3HZ LYS 73 -17.306 9.471 -9.353 374 HZ2 LYS 73 1HZ LYS 73 -16.380 9.074 -10.644 375 HZ3 LYS 73 2HZ LYS 73 -15.716 9.913 -9.381 376 H GLU 74 H GLU 74 -15.767 3.783 -5.521 377 HA GLU 74 HA GLU 74 -18.520 3.457 -4.429 378 HB2 GLU 74 2HB GLU 74 -18.984 2.075 -6.305 379 HB3 GLU 74 3HB GLU 74 -18.281 3.611 -6.822 380 HG2 GLU 74 2HG GLU 74 -16.060 2.443 -7.098 381 HG3 GLU 74 3HG GLU 74 -16.874 0.913 -6.745 382 H LYS 75 H LYS 75 -15.977 2.963 -3.002 383 HA LYS 75 HA LYS 75 -16.273 0.118 -2.146 384 HB2 LYS 75 2HB LYS 75 -13.773 1.842 -2.145 385 HB3 LYS 75 3HB LYS 75 -13.866 0.166 -1.638 386 HG2 LYS 75 2HG LYS 75 -14.349 1.184 -4.470 387 HG3 LYS 75 3HG LYS 75 -12.846 0.489 -3.879 388 HD2 LYS 75 2HD LYS 75 -13.645 -1.657 -3.777 389 HD3 LYS 75 3HD LYS 75 -15.340 -1.185 -3.549 390 HE2 LYS 75 2HE LYS 75 -15.470 -0.305 -5.813 391 HE3 LYS 75 3HE LYS 75 -13.787 -0.769 -6.119 392 HZ1 LYS 75 3HZ LYS 75 -14.412 -3.076 -5.763 393 HZ2 LYS 75 1HZ LYS 75 -15.375 -2.437 -6.952 394 HZ3 LYS 75 2HZ LYS 75 -15.988 -2.670 -5.463 395 H ARG 76 H ARG 76 -16.554 -0.297 -0.028 396 HA ARG 76 HA ARG 76 -16.678 1.693 1.992 397 HB2 ARG 76 2HB ARG 76 -16.014 -1.209 2.498 398 HB3 ARG 76 3HB ARG 76 -16.926 -0.069 3.381 399 HG2 ARG 76 2HG ARG 76 -18.663 -0.071 1.477 400 HG3 ARG 76 3HG ARG 76 -17.941 -1.616 1.015 401 HD2 ARG 76 2HD ARG 76 -19.059 -0.879 3.739 402 HD3 ARG 76 3HD ARG 76 -19.968 -1.748 2.492 403 HE ARG 76 HE ARG 76 -17.876 -3.434 2.788 404 HH11 ARG 76 1HH1 ARG 76 -20.032 -2.039 5.217 405 HH12 ARG 76 2HH1 ARG 76 -19.906 -3.463 6.218 406 HH21 ARG 76 2HH2 ARG 76 -18.862 -5.234 5.465 407 HH22 ARG 76 1HH2 ARG 76 -17.828 -5.128 4.043 408 H THR 77 H THR 77 -15.124 1.769 3.844 409 HA THR 77 HA THR 77 -12.413 2.049 3.381 410 HB THR 77 HB THR 77 -13.737 0.870 5.817 411 HG1 THR 77 1HG THR 77 -13.498 3.502 4.851 412 HG21 THR 77 1HG2 THR 77 -11.271 0.774 6.056 413 HG22 THR 77 2HG2 THR 77 -11.919 2.030 7.112 414 HG23 THR 77 3HG2 THR 77 -11.137 2.481 5.578 415 H VAL 78 H VAL 78 -13.861 -0.953 4.644 416 HA VAL 78 HA VAL 78 -11.494 -2.526 4.516 417 HB VAL 78 HB VAL 78 -13.461 -3.148 5.794 418 HG11 VAL 78 1HG1 VAL 78 -15.485 -3.994 4.839 419 HG12 VAL 78 2HG1 VAL 78 -15.164 -2.413 4.116 420 HG13 VAL 78 3HG1 VAL 78 -14.833 -3.890 3.191 421 HG21 VAL 78 3HG2 VAL 78 -12.800 -5.297 3.742 422 HG22 VAL 78 1HG2 VAL 78 -11.909 -4.950 5.246 423 HG23 VAL 78 2HG2 VAL 78 -13.569 -5.543 5.320 424 H GLN 79 H GLN 79 -13.887 -1.815 2.023 425 HA GLN 79 HA GLN 79 -12.734 -3.712 0.122 426 HB2 GLN 79 2HB GLN 79 -14.831 -1.539 -0.300 427 HB3 GLN 79 3HB GLN 79 -14.333 -2.749 -1.478 428 HG2 GLN 79 2HG GLN 79 -14.935 -4.331 0.648 429 HG3 GLN 79 3HG GLN 79 -16.147 -3.063 0.826 430 HE21 GLN 79 2HE2 GLN 79 -17.737 -4.114 -2.315 431 HE22 GLN 79 1HE2 GLN 79 -17.562 -2.664 -1.338 432 H GLN 80 H GLN 80 -11.958 -0.421 0.939 433 HA GLN 80 HA GLN 80 -10.352 0.013 -1.502 434 HB2 GLN 80 2HB GLN 80 -10.367 1.431 1.206 435 HB3 GLN 80 3HB GLN 80 -9.404 1.916 -0.187 436 HG2 GLN 80 2HG GLN 80 -11.450 2.378 -1.482 437 HG3 GLN 80 3HG GLN 80 -12.447 1.848 -0.148 438 HE21 GLN 80 2HE2 GLN 80 -12.486 5.503 0.173 439 HE22 GLN 80 1HE2 GLN 80 -13.089 4.308 -0.962 440 H HIS 81 H HIS 81 -9.633 -0.727 1.975 441 HA HIS 81 HA HIS 81 -6.835 -1.049 1.765 442 HB2 HIS 81 2HB HIS 81 -8.898 -2.366 3.551 443 HB3 HIS 81 3HB HIS 81 -7.164 -2.606 3.764 444 HD1 HIS 81 1HD HIS 81 -9.077 -1.237 5.922 445 HD2 HIS 81 2HD HIS 81 -6.387 0.603 3.268 446 HE1 HIS 81 1HE HIS 81 -8.439 1.015 6.972 447 H GLN 82 H GLN 82 -9.273 -3.678 1.454 448 HA GLN 82 HA GLN 82 -7.765 -5.888 1.034 449 HB2 GLN 82 2HB GLN 82 -10.186 -5.867 1.158 450 HB3 GLN 82 3HB GLN 82 -10.312 -4.945 -0.336 451 HG2 GLN 82 2HG GLN 82 -10.898 -7.233 -0.759 452 HG3 GLN 82 3HG GLN 82 -9.420 -6.857 -1.627 453 HE21 GLN 82 2HE2 GLN 82 -8.420 -10.043 -0.366 454 HE22 GLN 82 1HE2 GLN 82 -8.849 -9.069 -1.773 455 H MET 83 H MET 83 -8.424 -3.402 -1.482 456 HA MET 83 HA MET 83 -7.275 -4.814 -3.694 457 HB2 MET 83 2HB MET 83 -7.567 -1.816 -3.249 458 HB3 MET 83 3HB MET 83 -7.346 -2.626 -4.803 459 HG2 MET 83 2HG MET 83 -9.454 -3.754 -4.561 460 HG3 MET 83 3HG MET 83 -9.717 -3.120 -2.957 461 HE1 MET 83 3HE MET 83 -8.437 -0.864 -6.021 462 HE2 MET 83 1HE MET 83 -9.420 -2.152 -6.761 463 HE3 MET 83 2HE MET 83 -10.007 -0.473 -6.745 464 H VAL 84 H VAL 84 -6.027 -2.409 -1.474 465 HA VAL 84 HA VAL 84 -3.350 -2.142 -2.558 466 HB VAL 84 HB VAL 84 -4.103 -1.578 0.313 467 HG11 VAL 84 1HG1 VAL 84 -2.644 0.534 -0.227 468 HG12 VAL 84 2HG1 VAL 84 -1.837 -1.051 -0.017 469 HG13 VAL 84 3HG1 VAL 84 -2.132 -0.416 -1.636 470 HG21 VAL 84 3HG2 VAL 84 -4.793 0.198 -2.026 471 HG22 VAL 84 1HG2 VAL 84 -5.923 -0.581 -0.880 472 HG23 VAL 84 2HG2 VAL 84 -4.853 0.670 -0.305 473 H ASN 85 H ASN 85 -4.845 -4.272 -0.207 474 HA ASN 85 HA ASN 85 -2.448 -5.488 0.900 475 HB2 ASN 85 2HB ASN 85 -5.437 -5.938 0.954 476 HB3 ASN 85 3HB ASN 85 -4.377 -7.298 1.388 477 HD21 ASN 85 2HD2 ASN 85 -4.820 -4.142 3.900 478 HD22 ASN 85 1HD2 ASN 85 -5.219 -3.970 2.192 479 H GLN 86 H GLN 86 -4.842 -6.572 -1.580 480 HA GLN 86 HA GLN 86 -3.549 -8.937 -2.373 481 HB2 GLN 86 2HB GLN 86 -5.702 -7.171 -3.286 482 HB3 GLN 86 3HB GLN 86 -4.740 -7.548 -4.651 483 HG2 GLN 86 2HG GLN 86 -6.316 -9.436 -2.905 484 HG3 GLN 86 3HG GLN 86 -6.574 -9.037 -4.594 485 HE21 GLN 86 2HE2 GLN 86 -3.635 -11.262 -5.478 486 HE22 GLN 86 1HE2 GLN 86 -3.873 -9.524 -5.627 487 H ALA 87 H ALA 87 -2.689 -5.592 -3.145 488 HA ALA 87 HA ALA 87 -1.393 -5.977 -5.632 489 HB1 ALA 87 1HB ALA 87 -0.915 -3.848 -3.495 490 HB2 ALA 87 2HB ALA 87 -0.498 -3.725 -5.209 491 HB3 ALA 87 3HB ALA 87 -2.204 -3.799 -4.721 492 H LEU 88 H LEU 88 -0.162 -6.276 -2.323 493 HA LEU 88 HA LEU 88 2.421 -7.307 -3.476 494 HB2 LEU 88 2HB LEU 88 3.692 -6.300 -1.939 495 HB3 LEU 88 3HB LEU 88 2.596 -5.052 -2.484 496 HG LEU 88 HG LEU 88 2.858 -4.636 -0.224 497 HD11 LEU 88 1HD1 LEU 88 0.784 -4.937 0.908 498 HD12 LEU 88 2HD1 LEU 88 0.352 -6.317 -0.103 499 HD13 LEU 88 3HD1 LEU 88 0.438 -4.684 -0.810 500 HD21 LEU 88 3HD2 LEU 88 3.983 -6.775 0.265 501 HD22 LEU 88 1HD2 LEU 88 2.382 -7.518 0.612 502 HD23 LEU 88 2HD2 LEU 88 2.962 -6.157 1.572 503 H LYS 89 H LYS 89 -0.287 -8.224 -1.639 504 HA LYS 89 HA LYS 89 0.619 -9.986 0.243 505 HB2 LYS 89 2HB LYS 89 -1.751 -9.651 -0.220 506 HB3 LYS 89 3HB LYS 89 -1.593 -10.258 -1.877 507 HG2 LYS 89 2HG LYS 89 -1.180 -12.494 -1.117 508 HG3 LYS 89 3HG LYS 89 -0.872 -11.992 0.492 509 HD2 LYS 89 2HD LYS 89 -3.068 -13.090 0.307 510 HD3 LYS 89 3HD LYS 89 -3.252 -11.402 0.829 511 HE2 LYS 89 2HE LYS 89 -3.953 -10.679 -1.320 512 HE3 LYS 89 3HE LYS 89 -3.488 -12.216 -2.084 513 HZ1 LYS 89 3HZ LYS 89 -5.231 -13.311 -0.958 514 HZ2 LYS 89 1HZ LYS 89 -5.881 -11.983 -1.649 515 HZ3 LYS 89 2HZ LYS 89 -5.598 -11.992 -0.020 516 H GLU 90 H GLU 90 0.688 -10.487 -3.290 517 HA GLU 90 HA GLU 90 1.150 -13.272 -2.950 518 HB2 GLU 90 2HB GLU 90 0.832 -11.281 -5.187 519 HB3 GLU 90 3HB GLU 90 1.454 -12.869 -5.554 520 HG2 GLU 90 2HG GLU 90 -0.533 -13.934 -4.575 521 HG3 GLU 90 3HG GLU 90 -1.150 -12.357 -4.076 522 H GLU 91 H GLU 91 3.109 -10.664 -2.644 523 HA GLU 91 HA GLU 91 5.666 -11.769 -3.624 524 HB2 GLU 91 2HB GLU 91 4.421 -9.487 -4.275 525 HB3 GLU 91 3HB GLU 91 4.966 -8.944 -2.698 526 HG2 GLU 91 2HG GLU 91 6.328 -8.184 -4.460 527 HG3 GLU 91 3HG GLU 91 7.226 -9.164 -3.291 528 H ILE 92 H ILE 92 4.085 -10.128 -0.886 529 HA ILE 92 HA ILE 92 5.766 -11.439 1.170 530 HB ILE 92 HB ILE 92 5.210 -8.461 1.114 531 HG12 ILE 92 2HG1 ILE 92 7.808 -9.958 0.617 532 HG13 ILE 92 3HG1 ILE 92 6.917 -8.977 -0.555 533 HG21 ILE 92 1HG2 ILE 92 6.585 -8.434 3.171 534 HG22 ILE 92 2HG2 ILE 92 5.194 -9.475 3.369 535 HG23 ILE 92 3HG2 ILE 92 6.794 -10.196 3.067 536 HD11 ILE 92 3HD1 ILE 92 8.695 -7.639 0.162 537 HD12 ILE 92 1HD1 ILE 92 7.239 -6.996 0.951 538 HD13 ILE 92 2HD1 ILE 92 8.394 -8.003 1.874 539 H LYS 93 H LYS 93 4.210 -12.300 2.660 540 HA LYS 93 HA LYS 93 1.423 -11.361 2.311 541 HB2 LYS 93 2HB LYS 93 2.563 -13.728 3.700 542 HB3 LYS 93 3HB LYS 93 0.837 -13.384 3.662 543 HG2 LYS 93 2HG LYS 93 0.882 -13.508 1.182 544 HG3 LYS 93 3HG LYS 93 2.602 -13.928 1.255 545 HD2 LYS 93 2HD LYS 93 1.355 -15.934 0.912 546 HD3 LYS 93 3HD LYS 93 2.001 -15.983 2.559 547 HE2 LYS 93 2HE LYS 93 -0.184 -15.333 3.478 548 HE3 LYS 93 3HE LYS 93 -0.827 -15.066 1.846 549 HZ1 LYS 93 3HZ LYS 93 0.067 -17.681 2.902 550 HZ2 LYS 93 1HZ LYS 93 -0.573 -17.412 1.402 551 HZ3 LYS 93 2HZ LYS 93 -1.500 -17.210 2.750 552 H GLU 94 H GLU 94 3.844 -10.668 4.618 553 HA GLU 94 HA GLU 94 2.295 -11.044 6.970 554 HB2 GLU 94 2HB GLU 94 4.204 -10.373 8.233 555 HB3 GLU 94 3HB GLU 94 4.608 -11.496 6.953 556 HG2 GLU 94 2HG GLU 94 5.435 -9.543 5.585 557 HG3 GLU 94 3HG GLU 94 5.213 -8.519 6.999 558 H MET 95 H MET 95 0.675 -9.419 5.676 559 HA MET 95 HA MET 95 1.029 -6.634 6.118 560 HB2 MET 95 2HB MET 95 -1.367 -8.233 5.218 561 HB3 MET 95 3HB MET 95 -1.292 -6.470 5.159 562 HG2 MET 95 2HG MET 95 0.564 -6.479 3.640 563 HG3 MET 95 3HG MET 95 0.788 -8.221 3.779 564 HE1 MET 95 3HE MET 95 -2.227 -9.724 1.911 565 HE2 MET 95 1HE MET 95 -0.548 -10.041 2.423 566 HE3 MET 95 2HE MET 95 -1.797 -9.610 3.616 567 H HIS 96 H HIS 96 0.106 -8.793 8.489 568 HA HIS 96 HA HIS 96 -1.419 -6.998 10.158 569 HB2 HIS 96 2HB HIS 96 -0.241 -8.406 11.999 570 HB3 HIS 96 3HB HIS 96 -1.383 -9.182 10.915 571 HD1 HIS 96 1HD HIS 96 -0.466 -11.042 9.262 572 HD2 HIS 96 2HD HIS 96 2.418 -9.160 11.682 573 HE1 HIS 96 1HE HIS 96 1.648 -12.444 9.076 574 H GLY 97 H GLY 97 1.836 -6.928 9.045 575 HA2 GLY 97 2HA GLY 97 2.779 -4.874 10.967 576 HA3 GLY 97 3HA GLY 97 3.635 -5.555 9.595 577 H LEU 98 H LEU 98 0.884 -4.839 8.082 578 HA LEU 98 HA LEU 98 2.151 -2.341 7.064 579 HB2 LEU 98 2HB LEU 98 0.664 -4.507 5.646 580 HB3 LEU 98 3HB LEU 98 0.788 -2.865 5.018 581 HG LEU 98 HG LEU 98 3.344 -3.044 5.591 582 HD11 LEU 98 1HD1 LEU 98 4.365 -5.176 5.318 583 HD12 LEU 98 2HD1 LEU 98 2.806 -5.987 5.208 584 HD13 LEU 98 3HD1 LEU 98 3.326 -5.211 6.736 585 HD21 LEU 98 3HD2 LEU 98 2.107 -4.477 3.257 586 HD22 LEU 98 1HD2 LEU 98 3.802 -3.903 3.377 587 HD23 LEU 98 2HD2 LEU 98 2.473 -2.736 3.446 588 H ARG 99 H ARG 99 1.429 -0.595 7.482 589 HA ARG 99 HA ARG 99 -1.340 -0.111 8.496 590 HB2 ARG 99 2HB ARG 99 0.884 0.468 9.688 591 HB3 ARG 99 3HB ARG 99 0.915 1.874 8.614 592 HG2 ARG 99 2HG ARG 99 -1.437 2.409 9.342 593 HG3 ARG 99 3HG ARG 99 -1.400 1.023 10.435 594 HD2 ARG 99 2HD ARG 99 0.455 3.408 10.543 595 HD3 ARG 99 3HD ARG 99 -0.976 3.122 11.565 596 HE ARG 99 HE ARG 99 0.821 0.885 11.765 597 HH11 ARG 99 1HH1 ARG 99 0.723 4.242 12.901 598 HH12 ARG 99 2HH1 ARG 99 1.614 3.764 14.357 599 HH21 ARG 99 2HH2 ARG 99 2.261 1.799 14.701 600 HH22 ARG 99 1HH2 ARG 99 1.966 0.500 13.522 601 H ILE 100 H ILE 100 -2.713 0.257 6.871 602 HA ILE 100 HA ILE 100 -1.837 1.978 4.588 603 HB ILE 100 HB ILE 100 -4.156 0.027 4.409 604 HG12 ILE 100 2HG1 ILE 100 -1.237 -0.716 4.061 605 HG13 ILE 100 3HG1 ILE 100 -2.467 -1.404 5.148 606 HG21 ILE 100 1HG2 ILE 100 -2.275 1.165 2.301 607 HG22 ILE 100 2HG2 ILE 100 -3.654 0.085 2.004 608 HG23 ILE 100 3HG2 ILE 100 -3.950 1.686 2.594 609 HD11 ILE 100 3HD1 ILE 100 -2.263 -2.993 3.454 610 HD12 ILE 100 1HD1 ILE 100 -3.764 -2.095 3.112 611 HD13 ILE 100 2HD1 ILE 100 -2.287 -1.777 2.166 612 H PHE 101 H PHE 101 -2.779 3.352 3.699 613 HA PHE 101 HA PHE 101 -5.103 4.766 4.911 614 HB2 PHE 101 2HB PHE 101 -2.286 5.609 4.104 615 HB3 PHE 101 3HB PHE 101 -3.515 6.720 4.532 616 HD1 PHE 101 1HD PHE 101 -0.923 4.568 5.705 617 HD2 PHE 101 2HD PHE 101 -4.551 6.540 6.948 618 HE1 PHE 101 1HE PHE 101 -0.312 4.182 8.049 619 HE2 PHE 101 2HE PHE 101 -3.920 6.174 9.328 620 HZ PHE 101 HZ PHE 101 -1.808 4.999 9.890 621 H THR 102 H THR 102 -6.596 5.078 3.349 622 HA THR 102 HA THR 102 -5.872 5.538 0.446 623 HB THR 102 HB THR 102 -7.978 4.267 -0.075 624 HG1 THR 102 1HG THR 102 -9.140 3.735 1.539 625 HG21 THR 102 1HG2 THR 102 -5.782 3.165 -0.370 626 HG22 THR 102 2HG2 THR 102 -7.029 2.007 0.118 627 HG23 THR 102 3HG2 THR 102 -5.842 2.584 1.309 628 H SER 103 H SER 103 -7.203 6.771 -0.687 629 HA SER 103 HA SER 103 -9.654 7.820 0.421 630 HB2 SER 103 2HB SER 103 -8.852 10.211 0.050 631 HB3 SER 103 3HB SER 103 -8.337 9.435 1.516 632 HG SER 103 HG SER 103 -6.861 10.639 -0.268 633 H VAL 104 H VAL 104 -10.425 9.664 -1.178 634 HA VAL 104 HA VAL 104 -9.689 8.962 -3.980 635 HB VAL 104 HB VAL 104 -11.341 7.359 -3.432 636 HG11 VAL 104 1HG1 VAL 104 -13.604 7.800 -2.849 637 HG12 VAL 104 2HG1 VAL 104 -12.545 8.437 -1.598 638 HG13 VAL 104 3HG1 VAL 104 -13.308 9.552 -2.763 639 HG21 VAL 104 3HG2 VAL 104 -12.860 7.645 -5.205 640 HG22 VAL 104 1HG2 VAL 104 -12.752 9.430 -5.142 641 HG23 VAL 104 2HG2 VAL 104 -11.387 8.430 -5.659 642 HA PRO 105 HA PRO 105 -10.500 13.287 -4.534 643 HB2 PRO 105 2HB PRO 105 -9.989 13.512 -7.215 644 HB3 PRO 105 3HB PRO 105 -8.716 13.329 -5.971 645 HG2 PRO 105 2HG PRO 105 -9.905 11.206 -7.770 646 HG3 PRO 105 3HG PRO 105 -8.191 11.424 -7.300 647 HD2 PRO 105 2HD PRO 105 -9.838 9.634 -6.124 648 HD3 PRO 105 3HD PRO 105 -8.447 10.350 -5.328 649 H LYS 106 H LYS 106 -12.550 13.875 -4.351 650 HA LYS 106 HA LYS 106 -14.687 12.746 -6.072 651 HB2 LYS 106 2HB LYS 106 -14.202 11.498 -3.919 652 HB3 LYS 106 3HB LYS 106 -14.622 12.974 -3.028 653 HG2 LYS 106 2HG LYS 106 -16.807 12.976 -4.081 654 HG3 LYS 106 3HG LYS 106 -16.412 11.487 -4.977 655 HD2 LYS 106 2HD LYS 106 -16.010 10.352 -2.724 656 HD3 LYS 106 3HD LYS 106 -16.740 11.780 -1.958 657 HE2 LYS 106 2HE LYS 106 -18.815 11.405 -3.279 658 HE3 LYS 106 3HE LYS 106 -18.073 10.007 -4.064 659 HZ1 LYS 106 3HZ LYS 106 -17.883 8.986 -1.818 660 HZ2 LYS 106 1HZ LYS 106 -19.455 9.296 -2.215 661 HZ3 LYS 106 2HZ LYS 106 -18.661 10.271 -1.165 662 H ARG 107 H ARG 107 -15.043 14.538 -7.185 663 HA ARG 107 HA ARG 107 -14.831 17.158 -6.377 664 HB2 ARG 107 2HB ARG 107 -15.963 17.842 -8.400 665 HB3 ARG 107 3HB ARG 107 -14.792 16.559 -8.676 666 HG2 ARG 107 2HG ARG 107 -16.719 14.910 -8.567 667 HG3 ARG 107 3HG ARG 107 -17.812 16.292 -8.483 668 HD2 ARG 107 2HD ARG 107 -17.764 15.521 -10.755 669 HD3 ARG 107 3HD ARG 107 -16.903 17.068 -10.702 670 HE ARG 107 HE ARG 107 -14.966 15.034 -10.359 671 HH11 ARG 107 1HH1 ARG 107 -17.235 15.911 -12.907 672 HH12 ARG 107 2HH1 ARG 107 -16.237 15.213 -14.156 673 HH21 ARG 107 2HH2 ARG 107 -14.215 14.611 -13.705 674 HH22 ARG 107 1HH2 ARG 107 -13.625 14.448 -12.066 Start of MODEL 6 1 H1 ALA 27 H1 ALA 27 15.733 7.070 10.112 2 H2 ALA 27 H2 ALA 27 15.072 8.565 10.014 3 H3 ALA 27 H3 ALA 27 16.051 8.027 8.805 4 HA ALA 27 HA ALA 27 13.372 7.099 9.532 5 HB1 ALA 27 1HB ALA 27 12.687 7.729 7.313 6 HB2 ALA 27 2HB ALA 27 13.520 9.113 8.043 7 HB3 ALA 27 3HB ALA 27 14.349 8.107 6.831 8 H THR 28 H THR 28 16.265 6.222 7.587 9 HA THR 28 HA THR 28 16.855 4.449 6.429 10 HB THR 28 HB THR 28 17.059 3.595 8.737 11 HG1 THR 28 1HG THR 28 18.113 2.290 7.550 12 HG21 THR 28 1HG2 THR 28 15.726 1.520 9.249 13 HG22 THR 28 2HG2 THR 28 14.545 2.018 8.024 14 HG23 THR 28 3HG2 THR 28 14.838 3.027 9.463 15 H GLN 29 H GLN 29 16.183 2.149 5.568 16 HA GLN 29 HA GLN 29 13.556 2.116 4.269 17 HB2 GLN 29 2HB GLN 29 15.583 3.574 3.002 18 HB3 GLN 29 3HB GLN 29 15.672 1.994 2.199 19 HG2 GLN 29 2HG GLN 29 13.413 2.102 1.496 20 HG3 GLN 29 3HG GLN 29 13.014 3.363 2.662 21 HE21 GLN 29 2HE2 GLN 29 12.959 5.378 -0.206 22 HE22 GLN 29 1HE2 GLN 29 12.017 4.372 0.924 23 H THR 30 H THR 30 13.131 0.042 3.321 24 HA THR 30 HA THR 30 15.234 -2.055 3.623 25 HB THR 30 HB THR 30 13.365 -3.706 3.835 26 HG1 THR 30 1HG THR 30 11.665 -2.123 5.053 27 HG21 THR 30 1HG2 THR 30 13.603 -1.587 6.013 28 HG22 THR 30 2HG2 THR 30 14.720 -2.957 5.781 29 HG23 THR 30 3HG2 THR 30 13.032 -3.254 6.241 30 H GLU 31 H GLU 31 14.938 -3.917 1.996 31 HA GLU 31 HA GLU 31 14.673 -2.806 -0.696 32 HB2 GLU 31 2HB GLU 31 15.105 -5.549 0.500 33 HB3 GLU 31 3HB GLU 31 14.729 -5.366 -1.224 34 HG2 GLU 31 2HG GLU 31 16.649 -3.834 -1.504 35 HG3 GLU 31 3HG GLU 31 17.050 -4.017 0.205 36 H GLY 32 H GLY 32 12.547 -4.617 1.482 37 HA2 GLY 32 2HA GLY 32 10.368 -5.056 -0.260 38 HA3 GLY 32 3HA GLY 32 10.279 -4.886 1.494 39 H GLU 33 H GLU 33 11.274 -2.082 1.625 40 HA GLU 33 HA GLU 33 8.992 -0.553 1.278 41 HB2 GLU 33 2HB GLU 33 11.404 -0.272 2.414 42 HB3 GLU 33 3HB GLU 33 11.749 0.635 0.968 43 HG2 GLU 33 2HG GLU 33 9.379 1.191 2.694 44 HG3 GLU 33 3HG GLU 33 10.965 1.759 3.127 45 H LEU 34 H LEU 34 11.802 -0.831 -0.854 46 HA LEU 34 HA LEU 34 10.927 0.943 -2.914 47 HB2 LEU 34 2HB LEU 34 12.900 -1.338 -3.251 48 HB3 LEU 34 3HB LEU 34 12.881 0.234 -4.051 49 HG LEU 34 HG LEU 34 13.584 -0.334 -1.171 50 HD11 LEU 34 1HD1 LEU 34 15.854 0.408 -1.864 51 HD12 LEU 34 2HD1 LEU 34 15.279 0.547 -3.532 52 HD13 LEU 34 3HD1 LEU 34 15.313 -1.042 -2.740 53 HD21 LEU 34 3HD2 LEU 34 14.255 2.043 -1.027 54 HD22 LEU 34 1HD2 LEU 34 12.518 1.905 -1.367 55 HD23 LEU 34 2HD2 LEU 34 13.654 2.318 -2.669 56 H ARG 35 H ARG 35 11.110 -2.575 -2.703 57 HA ARG 35 HA ARG 35 9.941 -3.352 -5.202 58 HB2 ARG 35 2HB ARG 35 11.184 -4.866 -3.821 59 HB3 ARG 35 3HB ARG 35 10.069 -4.683 -2.473 60 HG2 ARG 35 2HG ARG 35 8.674 -6.252 -3.228 61 HG3 ARG 35 3HG ARG 35 8.564 -5.547 -4.817 62 HD2 ARG 35 2HD ARG 35 9.533 -7.496 -5.430 63 HD3 ARG 35 3HD ARG 35 11.032 -6.660 -5.090 64 HE ARG 35 HE ARG 35 9.832 -8.894 -3.632 65 HH11 ARG 35 1HH1 ARG 35 12.442 -6.492 -3.356 66 HH12 ARG 35 2HH1 ARG 35 12.868 -7.140 -1.773 67 HH21 ARG 35 2HH2 ARG 35 12.004 -8.749 -0.946 68 HH22 ARG 35 1HH2 ARG 35 10.605 -9.592 -1.623 69 H VAL 36 H VAL 36 8.391 -2.810 -2.024 70 HA VAL 36 HA VAL 36 5.768 -3.529 -2.934 71 HB VAL 36 HB VAL 36 6.739 -1.923 -0.541 72 HG11 VAL 36 1HG1 VAL 36 4.645 -0.885 -0.973 73 HG12 VAL 36 2HG1 VAL 36 3.863 -2.431 -1.360 74 HG13 VAL 36 3HG1 VAL 36 4.372 -2.065 0.309 75 HG21 VAL 36 3HG2 VAL 36 5.851 -3.910 0.663 76 HG22 VAL 36 1HG2 VAL 36 5.309 -4.605 -0.887 77 HG23 VAL 36 2HG2 VAL 36 7.023 -4.420 -0.559 78 H THR 37 H THR 37 7.587 -0.377 -2.671 79 HA THR 37 HA THR 37 5.491 1.260 -3.637 80 HB THR 37 HB THR 37 8.437 1.645 -4.076 81 HG1 THR 37 1HG THR 37 8.056 1.536 -1.885 82 HG21 THR 37 1HG2 THR 37 7.894 4.089 -4.113 83 HG22 THR 37 2HG2 THR 37 6.168 3.665 -4.096 84 HG23 THR 37 3HG2 THR 37 7.200 3.208 -5.472 85 H GLN 38 H GLN 38 7.882 -0.626 -5.466 86 HA GLN 38 HA GLN 38 7.219 0.448 -8.037 87 HB2 GLN 38 2HB GLN 38 8.322 -2.311 -7.332 88 HB3 GLN 38 3HB GLN 38 8.212 -1.614 -8.922 89 HG2 GLN 38 2HG GLN 38 10.196 -1.109 -6.796 90 HG3 GLN 38 3HG GLN 38 10.400 -1.198 -8.520 91 HE21 GLN 38 2HE2 GLN 38 10.090 2.408 -6.728 92 HE22 GLN 38 1HE2 GLN 38 10.010 0.877 -5.830 93 H ILE 39 H ILE 39 5.910 -2.452 -6.342 94 HA ILE 39 HA ILE 39 4.208 -3.137 -8.600 95 HB ILE 39 HB ILE 39 3.885 -4.090 -5.745 96 HG12 ILE 39 2HG1 ILE 39 5.381 -5.535 -7.982 97 HG13 ILE 39 3HG1 ILE 39 6.209 -4.569 -6.766 98 HG21 ILE 39 1HG2 ILE 39 1.923 -4.533 -7.099 99 HG22 ILE 39 2HG2 ILE 39 2.911 -5.055 -8.486 100 HG23 ILE 39 3HG2 ILE 39 2.799 -6.049 -7.032 101 HD11 ILE 39 3HD1 ILE 39 4.538 -7.039 -6.201 102 HD12 ILE 39 1HD1 ILE 39 6.291 -6.851 -6.065 103 HD13 ILE 39 2HD1 ILE 39 5.213 -5.969 -4.959 104 H LEU 40 H LEU 40 3.827 -1.141 -5.687 105 HA LEU 40 HA LEU 40 1.027 -0.661 -5.918 106 HB2 LEU 40 2HB LEU 40 3.361 0.914 -4.726 107 HB3 LEU 40 3HB LEU 40 1.729 1.561 -4.758 108 HG LEU 40 HG LEU 40 2.570 -1.102 -3.539 109 HD11 LEU 40 1HD1 LEU 40 1.798 1.530 -2.194 110 HD12 LEU 40 2HD1 LEU 40 3.445 0.873 -2.328 111 HD13 LEU 40 3HD1 LEU 40 2.234 0.017 -1.361 112 HD21 LEU 40 3HD2 LEU 40 -0.112 0.306 -3.537 113 HD22 LEU 40 1HD2 LEU 40 0.317 -0.955 -2.352 114 HD23 LEU 40 2HD2 LEU 40 0.255 -1.346 -4.065 115 H LYS 41 H LYS 41 3.704 1.021 -7.574 116 HA LYS 41 HA LYS 41 2.073 2.951 -8.872 117 HB2 LYS 41 2HB LYS 41 4.552 1.766 -10.114 118 HB3 LYS 41 3HB LYS 41 3.790 3.334 -10.447 119 HG2 LYS 41 2HG LYS 41 4.092 3.509 -7.750 120 HG3 LYS 41 3HG LYS 41 5.396 2.409 -8.152 121 HD2 LYS 41 2HD LYS 41 6.225 4.083 -9.844 122 HD3 LYS 41 3HD LYS 41 5.002 5.223 -9.215 123 HE2 LYS 41 2HE LYS 41 5.984 4.788 -6.902 124 HE3 LYS 41 3HE LYS 41 7.298 3.917 -7.699 125 HZ1 LYS 41 3HZ LYS 41 7.960 6.200 -7.314 126 HZ2 LYS 41 1HZ LYS 41 6.634 6.798 -8.036 127 HZ3 LYS 41 2HZ LYS 41 7.781 6.011 -8.938 128 H GLU 42 H GLU 42 2.517 -0.493 -9.696 129 HA GLU 42 HA GLU 42 1.255 -0.297 -12.232 130 HB2 GLU 42 2HB GLU 42 2.457 -2.214 -10.417 131 HB3 GLU 42 3HB GLU 42 1.416 -2.856 -11.509 132 HG2 GLU 42 2HG GLU 42 2.855 -1.645 -13.212 133 HG3 GLU 42 3HG GLU 42 4.034 -1.418 -11.948 134 H LYS 43 H LYS 43 0.382 -1.496 -8.932 135 HA LYS 43 HA LYS 43 -2.164 -2.229 -9.990 136 HB2 LYS 43 2HB LYS 43 -1.548 -1.927 -7.027 137 HB3 LYS 43 3HB LYS 43 -2.889 -2.749 -7.829 138 HG2 LYS 43 2HG LYS 43 -0.042 -3.646 -7.802 139 HG3 LYS 43 3HG LYS 43 -1.404 -4.367 -6.989 140 HD2 LYS 43 2HD LYS 43 -2.417 -5.174 -8.955 141 HD3 LYS 43 3HD LYS 43 -1.431 -4.145 -9.981 142 HE2 LYS 43 2HE LYS 43 0.615 -5.422 -9.238 143 HE3 LYS 43 3HE LYS 43 -0.455 -6.531 -8.358 144 HZ1 LYS 43 3HZ LYS 43 0.107 -7.350 -10.603 145 HZ2 LYS 43 1HZ LYS 43 -0.541 -6.022 -11.288 146 HZ3 LYS 43 2HZ LYS 43 -1.500 -7.096 -10.471 147 H PHE 44 H PHE 44 -0.899 0.725 -8.661 148 HA PHE 44 HA PHE 44 -3.518 1.918 -9.191 149 HB2 PHE 44 2HB PHE 44 -1.692 2.665 -6.863 150 HB3 PHE 44 3HB PHE 44 -3.293 3.328 -7.161 151 HD1 PHE 44 1HD PHE 44 -1.437 0.518 -5.680 152 HD2 PHE 44 2HD PHE 44 -5.319 1.901 -6.943 153 HE1 PHE 44 1HE PHE 44 -2.501 -1.305 -4.385 154 HE2 PHE 44 2HE PHE 44 -6.382 0.070 -5.648 155 HZ PHE 44 HZ PHE 44 -4.974 -1.534 -4.393 156 HA PRO 45 HA PRO 45 -0.672 4.690 -11.559 157 HB2 PRO 45 2HB PRO 45 -1.498 4.043 -14.108 158 HB3 PRO 45 3HB PRO 45 -0.177 3.185 -13.258 159 HG2 PRO 45 2HG PRO 45 -3.122 2.404 -13.364 160 HG3 PRO 45 3HG PRO 45 -1.712 1.382 -13.757 161 HD2 PRO 45 2HD PRO 45 -2.694 1.122 -11.366 162 HD3 PRO 45 3HD PRO 45 -1.006 1.346 -11.432 163 H ARG 46 H ARG 46 -4.120 4.099 -11.334 164 HA ARG 46 HA ARG 46 -4.790 6.671 -12.534 165 HB2 ARG 46 2HB ARG 46 -6.365 4.783 -10.762 166 HB3 ARG 46 3HB ARG 46 -7.024 6.268 -11.366 167 HG2 ARG 46 2HG ARG 46 -5.876 4.032 -13.091 168 HG3 ARG 46 3HG ARG 46 -7.533 4.037 -12.497 169 HD2 ARG 46 2HD ARG 46 -6.325 6.220 -14.223 170 HD3 ARG 46 3HD ARG 46 -7.296 4.822 -14.701 171 HE ARG 46 HE ARG 46 -9.197 5.683 -13.482 172 HH11 ARG 46 1HH1 ARG 46 -6.772 8.222 -14.103 173 HH12 ARG 46 2HH1 ARG 46 -7.974 9.457 -13.842 174 HH21 ARG 46 2HH2 ARG 46 -10.038 8.898 -13.143 175 HH22 ARG 46 1HH2 ARG 46 -10.499 7.195 -13.111 176 H ALA 47 H ALA 47 -3.392 5.887 -9.529 177 HA ALA 47 HA ALA 47 -4.811 7.509 -7.763 178 HB1 ALA 47 1HB ALA 47 -2.925 7.069 -6.258 179 HB2 ALA 47 2HB ALA 47 -3.384 5.617 -7.149 180 HB3 ALA 47 3HB ALA 47 -1.935 6.539 -7.625 181 H THR 48 H THR 48 -4.384 9.334 -6.575 182 HA THR 48 HA THR 48 -2.574 11.368 -7.849 183 HB THR 48 HB THR 48 -3.737 13.104 -6.741 184 HG1 THR 48 1HG THR 48 -5.646 12.560 -5.572 185 HG21 THR 48 1HG2 THR 48 -5.912 13.032 -7.790 186 HG22 THR 48 2HG2 THR 48 -5.874 11.265 -7.894 187 HG23 THR 48 3HG2 THR 48 -4.756 12.243 -8.875 188 H ALA 49 H ALA 49 -3.095 9.474 -4.856 189 HA ALA 49 HA ALA 49 -0.278 10.296 -4.238 190 HB1 ALA 49 1HB ALA 49 -1.800 11.232 -2.524 191 HB2 ALA 49 2HB ALA 49 -2.410 9.596 -2.179 192 HB3 ALA 49 3HB ALA 49 -0.718 9.997 -1.857 193 H ILE 50 H ILE 50 1.150 8.669 -3.914 194 HA ILE 50 HA ILE 50 0.441 5.981 -3.098 195 HB ILE 50 HB ILE 50 1.980 5.098 -5.109 196 HG12 ILE 50 2HG1 ILE 50 0.432 7.281 -6.568 197 HG13 ILE 50 3HG1 ILE 50 2.155 7.366 -6.199 198 HG21 ILE 50 1HG2 ILE 50 0.070 4.161 -6.164 199 HG22 ILE 50 2HG2 ILE 50 -0.256 4.263 -4.433 200 HG23 ILE 50 3HG2 ILE 50 -0.984 5.441 -5.549 201 HD11 ILE 50 3HD1 ILE 50 0.802 5.319 -8.004 202 HD12 ILE 50 1HD1 ILE 50 1.877 6.642 -8.480 203 HD13 ILE 50 2HD1 ILE 50 2.521 5.286 -7.536 204 H LYS 51 H LYS 51 1.755 6.046 -1.394 205 HA LYS 51 HA LYS 51 4.691 6.159 -1.796 206 HB2 LYS 51 2HB LYS 51 4.987 7.890 -0.140 207 HB3 LYS 51 3HB LYS 51 4.116 8.441 -1.561 208 HG2 LYS 51 2HG LYS 51 1.952 7.952 -0.102 209 HG3 LYS 51 3HG LYS 51 3.098 7.954 1.246 210 HD2 LYS 51 2HD LYS 51 2.230 10.148 1.098 211 HD3 LYS 51 3HD LYS 51 3.864 10.240 0.387 212 HE2 LYS 51 2HE LYS 51 3.003 10.314 -1.840 213 HE3 LYS 51 3HE LYS 51 1.416 9.721 -1.344 214 HZ1 LYS 51 3HZ LYS 51 0.997 11.814 -0.255 215 HZ2 LYS 51 1HZ LYS 51 1.446 12.121 -1.813 216 HZ3 LYS 51 2HZ LYS 51 2.524 12.375 -0.608 217 H VAL 52 H VAL 52 5.924 5.514 0.015 218 HA VAL 52 HA VAL 52 4.621 3.641 1.949 219 HB VAL 52 HB VAL 52 7.027 3.005 0.194 220 HG11 VAL 52 1HG1 VAL 52 6.623 0.660 0.916 221 HG12 VAL 52 2HG1 VAL 52 7.035 1.720 2.256 222 HG13 VAL 52 3HG1 VAL 52 5.343 1.233 2.010 223 HG21 VAL 52 3HG2 VAL 52 4.161 2.045 -0.216 224 HG22 VAL 52 1HG2 VAL 52 5.124 3.048 -1.334 225 HG23 VAL 52 2HG2 VAL 52 5.602 1.398 -1.050 226 H THR 53 H THR 53 5.616 3.461 3.978 227 HA THR 53 HA THR 53 8.506 4.316 4.114 228 HB THR 53 HB THR 53 6.345 4.914 6.181 229 HG1 THR 53 1HG THR 53 6.204 6.309 4.446 230 HG21 THR 53 1HG2 THR 53 8.007 6.258 7.316 231 HG22 THR 53 2HG2 THR 53 9.250 5.643 6.194 232 HG23 THR 53 3HG2 THR 53 8.378 4.532 7.304 233 H ASP 54 H ASP 54 9.748 2.783 4.892 234 HA ASP 54 HA ASP 54 8.603 0.337 6.096 235 HB2 ASP 54 2HB ASP 54 10.696 0.134 4.754 236 HB3 ASP 54 3HB ASP 54 11.462 1.365 5.675 237 H ILE 55 H ILE 55 8.347 -0.041 8.092 238 HA ILE 55 HA ILE 55 9.644 1.559 10.217 239 HB ILE 55 HB ILE 55 7.526 1.525 11.520 240 HG12 ILE 55 2HG1 ILE 55 6.351 0.490 8.914 241 HG13 ILE 55 3HG1 ILE 55 6.151 -0.153 10.519 242 HG21 ILE 55 1HG2 ILE 55 6.713 3.537 10.508 243 HG22 ILE 55 2HG2 ILE 55 8.430 3.466 10.093 244 HG23 ILE 55 3HG2 ILE 55 7.202 3.024 8.887 245 HD11 ILE 55 3HD1 ILE 55 4.081 0.920 9.767 246 HD12 ILE 55 1HD1 ILE 55 4.764 1.926 11.063 247 HD13 ILE 55 2HD1 ILE 55 4.932 2.405 9.355 248 H SER 56 H SER 56 10.564 -0.714 9.003 249 HA SER 56 HA SER 56 10.711 -2.711 11.150 250 HB2 SER 56 2HB SER 56 10.238 -4.566 9.661 251 HB3 SER 56 3HB SER 56 8.884 -3.553 10.063 252 HG SER 56 HG SER 56 10.068 -2.722 7.706 253 H GLY 57 H GLY 57 12.743 -0.954 10.439 254 HA2 GLY 57 2HA GLY 57 14.670 -1.716 8.724 255 HA3 GLY 57 3HA GLY 57 14.991 -1.072 10.336 256 H GLY 58 H GLY 58 14.002 -3.693 11.600 257 HA2 GLY 58 2HA GLY 58 16.447 -5.369 11.153 258 HA3 GLY 58 3HA GLY 58 15.536 -5.237 12.652 259 H CYS 59 H CYS 59 13.235 -5.432 10.270 260 HA CYS 59 HA CYS 59 13.071 -8.439 10.349 261 HB2 CYS 59 2HB CYS 59 11.644 -7.146 12.089 262 HB3 CYS 59 3HB CYS 59 10.674 -6.607 10.733 263 HG CYS 59 HG CYS 59 9.601 -8.727 11.995 264 H GLY 60 H GLY 60 12.087 -5.461 8.817 265 HA2 GLY 60 2HA GLY 60 11.044 -4.818 7.061 266 HA3 GLY 60 3HA GLY 60 11.731 -6.201 6.155 267 H ALA 61 H ALA 61 9.257 -5.905 8.808 268 HA ALA 61 HA ALA 61 7.270 -7.325 7.092 269 HB1 ALA 61 1HB ALA 61 8.307 -8.827 8.762 270 HB2 ALA 61 2HB ALA 61 7.801 -7.721 10.064 271 HB3 ALA 61 3HB ALA 61 6.587 -8.568 9.089 272 H MET 62 H MET 62 7.686 -4.289 7.941 273 HA MET 62 HA MET 62 4.865 -3.757 8.627 274 HB2 MET 62 2HB MET 62 6.840 -4.026 10.582 275 HB3 MET 62 3HB MET 62 7.018 -2.318 10.205 276 HG2 MET 62 2HG MET 62 4.477 -2.190 10.625 277 HG3 MET 62 3HG MET 62 4.711 -3.846 11.272 278 HE1 MET 62 3HE MET 62 7.043 -3.231 14.328 279 HE2 MET 62 1HE MET 62 6.232 -4.427 13.288 280 HE3 MET 62 2HE MET 62 7.598 -3.481 12.655 281 H TYR 63 H TYR 63 4.110 -2.106 7.389 282 HA TYR 63 HA TYR 63 5.956 0.115 6.723 283 HB2 TYR 63 2HB TYR 63 4.347 -1.357 4.651 284 HB3 TYR 63 3HB TYR 63 5.084 0.091 4.385 285 HD1 TYR 63 HD1 TYR 63 5.513 -3.486 5.067 286 HD2 TYR 63 HD2 TYR 63 7.679 0.078 3.951 287 HE1 TYR 63 HE1 TYR 63 7.451 -4.875 4.502 288 HE2 TYR 63 HE2 TYR 63 9.684 -1.289 3.626 289 HH TYR 63 HH TYR 63 10.608 -3.315 3.823 290 H GLU 64 H GLU 64 5.093 2.009 6.316 291 HA GLU 64 HA GLU 64 2.240 2.561 6.895 292 HB2 GLU 64 2HB GLU 64 4.355 3.818 7.869 293 HB3 GLU 64 3HB GLU 64 4.419 4.559 6.285 294 HG2 GLU 64 2HG GLU 64 1.900 5.068 6.713 295 HG3 GLU 64 3HG GLU 64 2.329 4.712 8.368 296 H ILE 65 H ILE 65 0.904 2.546 5.030 297 HA ILE 65 HA ILE 65 2.156 3.276 2.379 298 HB ILE 65 HB ILE 65 0.155 1.098 2.993 299 HG12 ILE 65 2HG1 ILE 65 3.048 0.908 2.019 300 HG13 ILE 65 3HG1 ILE 65 2.500 0.575 3.652 301 HG21 ILE 65 1HG2 ILE 65 0.357 0.532 0.551 302 HG22 ILE 65 2HG2 ILE 65 -0.323 2.124 0.788 303 HG23 ILE 65 3HG2 ILE 65 1.385 1.964 0.326 304 HD11 ILE 65 3HD1 ILE 65 1.045 -1.266 2.745 305 HD12 ILE 65 1HD1 ILE 65 1.833 -1.029 1.163 306 HD13 ILE 65 2HD1 ILE 65 2.798 -1.518 2.559 307 H LYS 66 H LYS 66 1.209 4.856 1.297 308 HA LYS 66 HA LYS 66 -1.560 5.746 2.071 309 HB2 LYS 66 2HB LYS 66 1.009 7.295 1.819 310 HB3 LYS 66 3HB LYS 66 -0.554 8.103 1.652 311 HG2 LYS 66 2HG LYS 66 -1.151 7.675 3.891 312 HG3 LYS 66 3HG LYS 66 0.088 6.421 4.100 313 HD2 LYS 66 2HD LYS 66 1.869 8.054 4.007 314 HD3 LYS 66 3HD LYS 66 0.726 9.362 3.627 315 HE2 LYS 66 2HE LYS 66 -0.293 9.261 5.772 316 HE3 LYS 66 3HE LYS 66 0.446 7.701 6.160 317 HZ1 LYS 66 3HZ LYS 66 1.565 9.664 7.218 318 HZ2 LYS 66 1HZ LYS 66 2.017 10.176 5.737 319 HZ3 LYS 66 2HZ LYS 66 2.571 8.724 6.306 320 H ILE 67 H ILE 67 -2.906 5.680 0.506 321 HA ILE 67 HA ILE 67 -2.060 6.151 -2.261 322 HB ILE 67 HB ILE 67 -4.136 4.125 -1.490 323 HG12 ILE 67 2HG1 ILE 67 -1.143 3.838 -1.607 324 HG13 ILE 67 3HG1 ILE 67 -2.318 3.134 -0.572 325 HG21 ILE 67 1HG2 ILE 67 -3.800 3.370 -3.843 326 HG22 ILE 67 2HG2 ILE 67 -4.367 5.014 -3.759 327 HG23 ILE 67 3HG2 ILE 67 -2.653 4.711 -4.077 328 HD11 ILE 67 3HD1 ILE 67 -1.215 1.518 -2.005 329 HD12 ILE 67 1HD1 ILE 67 -2.945 1.585 -2.460 330 HD13 ILE 67 2HD1 ILE 67 -1.699 2.372 -3.464 331 H GLU 68 H GLU 68 -3.719 7.205 -3.598 332 HA GLU 68 HA GLU 68 -6.441 7.588 -2.557 333 HB2 GLU 68 2HB GLU 68 -5.252 9.512 -1.646 334 HB3 GLU 68 3HB GLU 68 -4.531 9.802 -3.093 335 HG2 GLU 68 2HG GLU 68 -6.611 10.695 -4.090 336 HG3 GLU 68 3HG GLU 68 -7.580 10.094 -2.774 337 H SER 69 H SER 69 -7.836 7.273 -4.358 338 HA SER 69 HA SER 69 -6.931 7.931 -7.110 339 HB2 SER 69 2HB SER 69 -5.877 5.664 -6.490 340 HB3 SER 69 3HB SER 69 -7.483 5.065 -6.250 341 HG SER 69 HG SER 69 -6.853 4.553 -8.349 342 H GLU 70 H GLU 70 -8.558 8.135 -8.531 343 HA GLU 70 HA GLU 70 -11.179 8.489 -7.825 344 HB2 GLU 70 2HB GLU 70 -9.793 7.882 -10.340 345 HB3 GLU 70 3HB GLU 70 -11.543 7.675 -10.390 346 HG2 GLU 70 2HG GLU 70 -11.535 10.091 -9.323 347 HG3 GLU 70 3HG GLU 70 -9.925 10.177 -10.022 348 H GLU 71 H GLU 71 -9.628 5.405 -8.616 349 HA GLU 71 HA GLU 71 -11.951 3.870 -9.197 350 HB2 GLU 71 2HB GLU 71 -10.522 2.052 -9.354 351 HB3 GLU 71 3HB GLU 71 -9.518 3.434 -9.792 352 HG2 GLU 71 2HG GLU 71 -8.931 3.429 -7.185 353 HG3 GLU 71 3HG GLU 71 -9.504 1.774 -7.258 354 H PHE 72 H PHE 72 -10.888 4.993 -6.153 355 HA PHE 72 HA PHE 72 -12.063 2.767 -4.629 356 HB2 PHE 72 2HB PHE 72 -10.431 5.233 -4.028 357 HB3 PHE 72 3HB PHE 72 -11.116 4.303 -2.750 358 HD1 PHE 72 1HD PHE 72 -10.605 1.450 -3.669 359 HD2 PHE 72 2HD PHE 72 -8.181 5.017 -3.632 360 HE1 PHE 72 1HE PHE 72 -8.587 0.073 -3.272 361 HE2 PHE 72 2HE PHE 72 -6.166 3.631 -3.243 362 HZ PHE 72 HZ PHE 72 -6.362 1.177 -3.044 363 H LYS 73 H LYS 73 -13.869 5.017 -6.055 364 HA LYS 73 HA LYS 73 -15.099 6.379 -3.795 365 HB2 LYS 73 2HB LYS 73 -16.758 7.272 -5.393 366 HB3 LYS 73 3HB LYS 73 -15.094 7.643 -5.729 367 HG2 LYS 73 2HG LYS 73 -15.683 7.171 -7.797 368 HG3 LYS 73 3HG LYS 73 -15.261 5.527 -7.335 369 HD2 LYS 73 2HD LYS 73 -17.788 5.187 -6.893 370 HD3 LYS 73 3HD LYS 73 -18.031 6.776 -7.627 371 HE2 LYS 73 2HE LYS 73 -16.934 6.080 -9.692 372 HE3 LYS 73 3HE LYS 73 -16.477 4.528 -8.985 373 HZ1 LYS 73 3HZ LYS 73 -18.811 3.879 -8.958 374 HZ2 LYS 73 1HZ LYS 73 -18.413 4.398 -10.467 375 HZ3 LYS 73 2HZ LYS 73 -19.303 5.343 -9.493 376 H GLU 74 H GLU 74 -16.037 3.533 -5.553 377 HA GLU 74 HA GLU 74 -18.676 3.420 -4.292 378 HB2 GLU 74 2HB GLU 74 -17.780 2.793 -6.704 379 HB3 GLU 74 3HB GLU 74 -17.425 1.236 -5.969 380 HG2 GLU 74 2HG GLU 74 -19.764 0.856 -5.504 381 HG3 GLU 74 3HG GLU 74 -20.175 2.541 -5.846 382 H LYS 75 H LYS 75 -16.022 3.065 -2.730 383 HA LYS 75 HA LYS 75 -16.319 0.286 -1.681 384 HB2 LYS 75 2HB LYS 75 -13.783 1.846 -2.289 385 HB3 LYS 75 3HB LYS 75 -13.845 0.213 -1.638 386 HG2 LYS 75 2HG LYS 75 -14.878 1.061 -4.375 387 HG3 LYS 75 3HG LYS 75 -13.324 0.307 -4.054 388 HD2 LYS 75 2HD LYS 75 -14.211 -1.762 -3.549 389 HD3 LYS 75 3HD LYS 75 -15.819 -1.149 -3.141 390 HE2 LYS 75 2HE LYS 75 -16.058 -0.376 -5.543 391 HE3 LYS 75 3HE LYS 75 -14.596 -1.296 -5.920 392 HZ1 LYS 75 3HZ LYS 75 -15.869 -3.274 -4.919 393 HZ2 LYS 75 1HZ LYS 75 -16.442 -2.750 -6.358 394 HZ3 LYS 75 2HZ LYS 75 -17.224 -2.343 -5.002 395 H ARG 76 H ARG 76 -16.447 -0.044 0.359 396 HA ARG 76 HA ARG 76 -16.160 1.854 2.440 397 HB2 ARG 76 2HB ARG 76 -15.680 -1.131 2.675 398 HB3 ARG 76 3HB ARG 76 -16.349 -0.037 3.802 399 HG2 ARG 76 2HG ARG 76 -17.819 -0.927 1.344 400 HG3 ARG 76 3HG ARG 76 -18.022 -1.621 2.921 401 HD2 ARG 76 2HD ARG 76 -18.999 0.414 3.809 402 HD3 ARG 76 3HD ARG 76 -18.444 1.359 2.416 403 HE ARG 76 HE ARG 76 -20.185 -0.812 1.614 404 HH11 ARG 76 1HH1 ARG 76 -20.434 2.532 2.779 405 HH12 ARG 76 2HH1 ARG 76 -21.744 2.835 1.675 406 HH21 ARG 76 2HH2 ARG 76 -22.601 1.228 0.470 407 HH22 ARG 76 1HH2 ARG 76 -21.869 -0.382 0.458 408 H THR 77 H THR 77 -14.570 1.770 4.114 409 HA THR 77 HA THR 77 -11.858 1.850 3.611 410 HB THR 77 HB THR 77 -13.452 0.947 5.995 411 HG1 THR 77 1HG THR 77 -13.333 3.064 6.527 412 HG21 THR 77 1HG2 THR 77 -10.529 1.871 5.934 413 HG22 THR 77 2HG2 THR 77 -11.114 0.266 6.452 414 HG23 THR 77 3HG2 THR 77 -11.503 1.697 7.410 415 H VAL 78 H VAL 78 -13.416 -1.118 4.860 416 HA VAL 78 HA VAL 78 -11.168 -2.805 4.538 417 HB VAL 78 HB VAL 78 -13.130 -3.369 5.840 418 HG11 VAL 78 1HG1 VAL 78 -15.204 -4.081 4.898 419 HG12 VAL 78 2HG1 VAL 78 -14.846 -2.468 4.259 420 HG13 VAL 78 3HG1 VAL 78 -14.614 -3.911 3.246 421 HG21 VAL 78 3HG2 VAL 78 -13.340 -5.720 5.301 422 HG22 VAL 78 1HG2 VAL 78 -12.722 -5.463 3.656 423 HG23 VAL 78 2HG2 VAL 78 -11.663 -5.216 5.064 424 H GLN 79 H GLN 79 -13.618 -1.929 2.114 425 HA GLN 79 HA GLN 79 -12.721 -3.923 0.185 426 HB2 GLN 79 2HB GLN 79 -14.539 -1.525 -0.267 427 HB3 GLN 79 3HB GLN 79 -14.222 -2.870 -1.372 428 HG2 GLN 79 2HG GLN 79 -15.027 -4.170 0.901 429 HG3 GLN 79 3HG GLN 79 -16.083 -2.764 0.873 430 HE21 GLN 79 2HE2 GLN 79 -17.941 -4.018 -1.895 431 HE22 GLN 79 1HE2 GLN 79 -17.528 -2.514 -1.096 432 H GLN 80 H GLN 80 -12.011 -0.513 0.757 433 HA GLN 80 HA GLN 80 -10.283 -0.132 -1.542 434 HB2 GLN 80 2HB GLN 80 -10.374 1.220 1.186 435 HB3 GLN 80 3HB GLN 80 -9.390 1.761 -0.173 436 HG2 GLN 80 2HG GLN 80 -11.378 2.278 -1.491 437 HG3 GLN 80 3HG GLN 80 -12.433 1.629 -0.267 438 HE21 GLN 80 2HE2 GLN 80 -12.288 5.371 0.189 439 HE22 GLN 80 1HE2 GLN 80 -12.834 4.297 -1.097 440 H HIS 81 H HIS 81 -9.620 -0.887 1.936 441 HA HIS 81 HA HIS 81 -6.850 -1.222 1.809 442 HB2 HIS 81 2HB HIS 81 -8.959 -2.583 3.524 443 HB3 HIS 81 3HB HIS 81 -7.236 -2.830 3.764 444 HD1 HIS 81 1HD HIS 81 -9.201 -1.437 5.948 445 HD2 HIS 81 2HD HIS 81 -6.501 0.423 3.298 446 HE1 HIS 81 1HE HIS 81 -8.489 0.746 7.042 447 H GLN 82 H GLN 82 -9.281 -3.832 1.232 448 HA GLN 82 HA GLN 82 -7.583 -5.982 0.861 449 HB2 GLN 82 2HB GLN 82 -9.947 -6.257 0.973 450 HB3 GLN 82 3HB GLN 82 -10.207 -5.266 -0.452 451 HG2 GLN 82 2HG GLN 82 -10.522 -7.643 -0.952 452 HG3 GLN 82 3HG GLN 82 -9.215 -6.967 -1.903 453 HE21 GLN 82 2HE2 GLN 82 -7.700 -10.090 -0.960 454 HE22 GLN 82 1HE2 GLN 82 -8.529 -9.211 -2.249 455 H MET 83 H MET 83 -8.329 -3.456 -1.616 456 HA MET 83 HA MET 83 -6.980 -4.844 -3.763 457 HB2 MET 83 2HB MET 83 -7.433 -1.856 -3.493 458 HB3 MET 83 3HB MET 83 -7.120 -2.759 -4.969 459 HG2 MET 83 2HG MET 83 -9.325 -4.076 -3.983 460 HG3 MET 83 3HG MET 83 -9.641 -2.441 -3.437 461 HE1 MET 83 3HE MET 83 -8.636 -0.531 -5.724 462 HE2 MET 83 1HE MET 83 -10.076 -0.469 -6.757 463 HE3 MET 83 2HE MET 83 -10.267 -0.466 -4.998 464 H VAL 84 H VAL 84 -5.911 -2.430 -1.389 465 HA VAL 84 HA VAL 84 -3.191 -2.153 -2.387 466 HB VAL 84 HB VAL 84 -3.997 -1.610 0.466 467 HG11 VAL 84 1HG1 VAL 84 -2.061 -0.425 -1.491 468 HG12 VAL 84 2HG1 VAL 84 -2.610 0.571 -0.132 469 HG13 VAL 84 3HG1 VAL 84 -1.789 -0.999 0.161 470 HG21 VAL 84 3HG2 VAL 84 -4.844 0.130 -1.840 471 HG22 VAL 84 1HG2 VAL 84 -5.870 -0.670 -0.608 472 HG23 VAL 84 2HG2 VAL 84 -4.818 0.635 -0.128 473 H ASN 85 H ASN 85 -4.793 -4.379 -0.250 474 HA ASN 85 HA ASN 85 -2.467 -5.498 1.115 475 HB2 ASN 85 2HB ASN 85 -5.412 -5.989 0.821 476 HB3 ASN 85 3HB ASN 85 -4.440 -7.413 1.210 477 HD21 ASN 85 2HD2 ASN 85 -4.956 -4.436 3.947 478 HD22 ASN 85 1HD2 ASN 85 -5.031 -4.079 2.226 479 H GLN 86 H GLN 86 -4.625 -6.626 -1.499 480 HA GLN 86 HA GLN 86 -2.934 -8.843 -2.216 481 HB2 GLN 86 2HB GLN 86 -5.566 -7.826 -2.876 482 HB3 GLN 86 3HB GLN 86 -4.710 -8.100 -4.350 483 HG2 GLN 86 2HG GLN 86 -5.321 -10.029 -2.078 484 HG3 GLN 86 3HG GLN 86 -5.954 -10.099 -3.726 485 HE21 GLN 86 2HE2 GLN 86 -2.559 -11.411 -4.815 486 HE22 GLN 86 1HE2 GLN 86 -3.392 -9.895 -5.145 487 H ALA 87 H ALA 87 -2.586 -5.579 -3.011 488 HA ALA 87 HA ALA 87 -1.211 -5.770 -5.511 489 HB1 ALA 87 1HB ALA 87 -0.267 -3.585 -4.894 490 HB2 ALA 87 2HB ALA 87 -1.999 -3.642 -4.511 491 HB3 ALA 87 3HB ALA 87 -0.788 -3.803 -3.215 492 H LEU 88 H LEU 88 -0.076 -6.375 -2.191 493 HA LEU 88 HA LEU 88 2.485 -7.432 -3.347 494 HB2 LEU 88 2HB LEU 88 3.831 -6.261 -2.002 495 HB3 LEU 88 3HB LEU 88 2.716 -5.088 -2.663 496 HG LEU 88 HG LEU 88 3.091 -4.379 -0.492 497 HD11 LEU 88 1HD1 LEU 88 1.059 -4.509 0.764 498 HD12 LEU 88 2HD1 LEU 88 0.538 -5.942 -0.136 499 HD13 LEU 88 3HD1 LEU 88 0.689 -4.373 -0.961 500 HD21 LEU 88 3HD2 LEU 88 4.179 -6.489 0.237 501 HD22 LEU 88 1HD2 LEU 88 2.570 -7.098 0.749 502 HD23 LEU 88 2HD2 LEU 88 3.258 -5.637 1.477 503 H LYS 89 H LYS 89 -0.116 -8.317 -1.495 504 HA LYS 89 HA LYS 89 0.910 -9.685 0.732 505 HB2 LYS 89 2HB LYS 89 -1.430 -9.496 0.501 506 HB3 LYS 89 3HB LYS 89 -1.403 -9.972 -1.202 507 HG2 LYS 89 2HG LYS 89 -1.059 -12.247 -0.722 508 HG3 LYS 89 3HG LYS 89 -0.760 -11.963 0.961 509 HD2 LYS 89 2HD LYS 89 -3.044 -11.484 1.436 510 HD3 LYS 89 3HD LYS 89 -3.416 -11.097 -0.259 511 HE2 LYS 89 2HE LYS 89 -3.106 -13.383 -0.944 512 HE3 LYS 89 3HE LYS 89 -2.577 -13.859 0.676 513 HZ1 LYS 89 3HZ LYS 89 -4.803 -13.212 1.482 514 HZ2 LYS 89 1HZ LYS 89 -4.880 -14.451 0.392 515 HZ3 LYS 89 2HZ LYS 89 -5.314 -12.955 -0.080 516 H GLU 90 H GLU 90 1.008 -10.684 -2.710 517 HA GLU 90 HA GLU 90 1.751 -13.353 -2.055 518 HB2 GLU 90 2HB GLU 90 1.633 -11.625 -4.532 519 HB3 GLU 90 3HB GLU 90 2.196 -13.254 -4.578 520 HG2 GLU 90 2HG GLU 90 0.040 -14.112 -3.754 521 HG3 GLU 90 3HG GLU 90 -0.562 -12.464 -3.558 522 H GLU 91 H GLU 91 3.393 -10.361 -2.271 523 HA GLU 91 HA GLU 91 6.110 -11.306 -2.807 524 HB2 GLU 91 2HB GLU 91 4.779 -9.137 -3.596 525 HB3 GLU 91 3HB GLU 91 5.206 -8.519 -2.009 526 HG2 GLU 91 2HG GLU 91 6.572 -7.732 -3.769 527 HG3 GLU 91 3HG GLU 91 7.481 -8.519 -2.465 528 H ILE 92 H ILE 92 4.280 -9.618 -0.235 529 HA ILE 92 HA ILE 92 5.824 -10.813 1.977 530 HB ILE 92 HB ILE 92 5.458 -7.809 1.721 531 HG12 ILE 92 2HG1 ILE 92 7.965 -9.502 1.369 532 HG13 ILE 92 3HG1 ILE 92 7.169 -8.517 0.133 533 HG21 ILE 92 1HG2 ILE 92 6.772 -7.731 3.810 534 HG22 ILE 92 2HG2 ILE 92 5.349 -8.719 4.049 535 HG23 ILE 92 3HG2 ILE 92 6.926 -9.501 3.802 536 HD11 ILE 92 3HD1 ILE 92 9.070 -7.335 0.847 537 HD12 ILE 92 1HD1 ILE 92 7.631 -6.488 1.462 538 HD13 ILE 92 2HD1 ILE 92 8.623 -7.501 2.556 539 H LYS 93 H LYS 93 4.211 -11.687 3.179 540 HA LYS 93 HA LYS 93 1.505 -10.869 2.619 541 HB2 LYS 93 2HB LYS 93 2.994 -13.198 3.057 542 HB3 LYS 93 3HB LYS 93 2.261 -13.050 4.630 543 HG2 LYS 93 2HG LYS 93 0.859 -13.276 1.950 544 HG3 LYS 93 3HG LYS 93 1.253 -14.560 3.085 545 HD2 LYS 93 2HD LYS 93 -0.210 -13.283 4.812 546 HD3 LYS 93 3HD LYS 93 -0.794 -12.347 3.437 547 HE2 LYS 93 2HE LYS 93 -2.363 -14.114 3.861 548 HE3 LYS 93 3HE LYS 93 -1.533 -14.485 2.344 549 HZ1 LYS 93 3HZ LYS 93 -0.226 -16.137 3.480 550 HZ2 LYS 93 1HZ LYS 93 -1.784 -16.395 3.905 551 HZ3 LYS 93 2HZ LYS 93 -0.729 -15.673 4.950 552 H GLU 94 H GLU 94 3.574 -9.996 5.103 553 HA GLU 94 HA GLU 94 2.321 -10.361 7.487 554 HB2 GLU 94 2HB GLU 94 4.402 -8.431 6.511 555 HB3 GLU 94 3HB GLU 94 4.145 -8.879 8.167 556 HG2 GLU 94 2HG GLU 94 5.023 -10.860 6.058 557 HG3 GLU 94 3HG GLU 94 6.120 -9.948 7.072 558 H MET 95 H MET 95 0.062 -9.236 6.371 559 HA MET 95 HA MET 95 -0.013 -6.395 6.890 560 HB2 MET 95 2HB MET 95 -2.200 -8.310 6.080 561 HB3 MET 95 3HB MET 95 -2.479 -6.594 6.413 562 HG2 MET 95 2HG MET 95 -1.979 -6.263 4.268 563 HG3 MET 95 3HG MET 95 -0.314 -6.327 4.825 564 HE1 MET 95 3HE MET 95 0.052 -7.888 1.390 565 HE2 MET 95 1HE MET 95 -0.584 -6.395 2.081 566 HE3 MET 95 2HE MET 95 0.964 -7.062 2.661 567 H HIS 96 H HIS 96 0.059 -8.650 9.259 568 HA HIS 96 HA HIS 96 -1.224 -7.085 11.339 569 HB2 HIS 96 2HB HIS 96 -0.311 -9.306 11.799 570 HB3 HIS 96 3HB HIS 96 1.294 -8.801 11.258 571 HD1 HIS 96 1HD HIS 96 -1.175 -7.647 14.044 572 HD2 HIS 96 2HD HIS 96 2.912 -8.188 13.204 573 HE1 HIS 96 1HE HIS 96 0.087 -6.906 16.130 574 H GLY 97 H GLY 97 1.616 -6.720 9.409 575 HA2 GLY 97 2HA GLY 97 2.935 -4.573 10.816 576 HA3 GLY 97 3HA GLY 97 3.288 -5.266 9.233 577 H LEU 98 H LEU 98 0.683 -4.742 8.152 578 HA LEU 98 HA LEU 98 1.626 -2.182 6.998 579 HB2 LEU 98 2HB LEU 98 -0.506 -4.125 6.012 580 HB3 LEU 98 3HB LEU 98 0.109 -2.698 5.171 581 HG LEU 98 HG LEU 98 1.577 -5.294 5.765 582 HD11 LEU 98 1HD1 LEU 98 1.636 -3.435 3.388 583 HD12 LEU 98 2HD1 LEU 98 0.449 -4.754 3.521 584 HD13 LEU 98 3HD1 LEU 98 2.212 -5.115 3.489 585 HD21 LEU 98 3HD2 LEU 98 2.729 -2.578 5.120 586 HD22 LEU 98 1HD2 LEU 98 3.592 -4.128 4.835 587 HD23 LEU 98 2HD2 LEU 98 3.204 -3.658 6.487 588 H ARG 99 H ARG 99 0.983 -0.423 7.355 589 HA ARG 99 HA ARG 99 -1.642 0.209 8.686 590 HB2 ARG 99 2HB ARG 99 0.751 0.659 9.690 591 HB3 ARG 99 3HB ARG 99 0.700 2.091 8.662 592 HG2 ARG 99 2HG ARG 99 -1.520 2.700 9.654 593 HG3 ARG 99 3HG ARG 99 -1.476 1.241 10.649 594 HD2 ARG 99 2HD ARG 99 0.495 3.527 10.738 595 HD3 ARG 99 3HD ARG 99 -0.793 3.172 11.915 596 HE ARG 99 HE ARG 99 0.933 0.889 11.658 597 HH11 ARG 99 1HH1 ARG 99 1.053 4.103 13.069 598 HH12 ARG 99 2HH1 ARG 99 2.170 3.591 14.313 599 HH21 ARG 99 2HH2 ARG 99 3.046 1.489 14.221 600 HH22 ARG 99 1HH2 ARG 99 2.400 0.356 13.024 601 H ILE 100 H ILE 100 -3.009 0.534 6.998 602 HA ILE 100 HA ILE 100 -1.932 1.990 4.625 603 HB ILE 100 HB ILE 100 -4.272 0.121 4.344 604 HG12 ILE 100 2HG1 ILE 100 -1.423 -0.935 4.518 605 HG13 ILE 100 3HG1 ILE 100 -2.800 -1.362 5.549 606 HG21 ILE 100 1HG2 ILE 100 -3.482 -0.068 2.111 607 HG22 ILE 100 2HG2 ILE 100 -3.288 1.631 2.486 608 HG23 ILE 100 3HG2 ILE 100 -1.871 0.530 2.538 609 HD11 ILE 100 3HD1 ILE 100 -2.573 -3.165 4.025 610 HD12 ILE 100 1HD1 ILE 100 -3.985 -2.225 3.493 611 HD13 ILE 100 2HD1 ILE 100 -2.442 -2.100 2.622 612 H PHE 101 H PHE 101 -2.796 3.372 3.651 613 HA PHE 101 HA PHE 101 -5.106 4.834 4.841 614 HB2 PHE 101 2HB PHE 101 -2.299 5.610 3.979 615 HB3 PHE 101 3HB PHE 101 -3.519 6.742 4.373 616 HD1 PHE 101 1HD PHE 101 -4.173 7.145 6.744 617 HD2 PHE 101 2HD PHE 101 -1.153 4.284 5.651 618 HE1 PHE 101 1HE PHE 101 -3.383 7.074 9.093 619 HE2 PHE 101 2HE PHE 101 -0.407 4.156 7.998 620 HZ PHE 101 HZ PHE 101 -1.507 5.571 9.740 621 H THR 102 H THR 102 -6.625 4.999 3.319 622 HA THR 102 HA THR 102 -5.985 5.486 0.394 623 HB THR 102 HB THR 102 -8.106 4.149 -0.008 624 HG1 THR 102 1HG THR 102 -9.181 3.656 1.705 625 HG21 THR 102 1HG2 THR 102 -5.899 3.104 -0.387 626 HG22 THR 102 2HG2 THR 102 -7.069 1.918 0.212 627 HG23 THR 102 3HG2 THR 102 -5.841 2.581 1.312 628 H SER 103 H SER 103 -7.256 6.756 -0.668 629 HA SER 103 HA SER 103 -9.795 7.715 0.371 630 HB2 SER 103 2HB SER 103 -8.897 10.136 -0.181 631 HB3 SER 103 3HB SER 103 -8.660 9.442 1.415 632 HG SER 103 HG SER 103 -6.859 10.451 -0.160 633 H VAL 104 H VAL 104 -10.612 9.482 -1.338 634 HA VAL 104 HA VAL 104 -9.800 8.706 -4.082 635 HB VAL 104 HB VAL 104 -11.420 7.065 -3.548 636 HG11 VAL 104 1HG1 VAL 104 -12.654 8.304 -1.718 637 HG12 VAL 104 2HG1 VAL 104 -13.545 9.129 -3.028 638 HG13 VAL 104 3HG1 VAL 104 -13.599 7.359 -2.853 639 HG21 VAL 104 3HG2 VAL 104 -12.976 7.324 -5.315 640 HG22 VAL 104 1HG2 VAL 104 -12.906 9.098 -5.251 641 HG23 VAL 104 2HG2 VAL 104 -11.535 8.140 -5.809 642 HA PRO 105 HA PRO 105 -11.066 12.952 -4.739 643 HB2 PRO 105 2HB PRO 105 -10.288 13.249 -7.321 644 HB3 PRO 105 3HB PRO 105 -9.128 13.175 -5.960 645 HG2 PRO 105 2HG PRO 105 -9.914 10.983 -7.893 646 HG3 PRO 105 3HG PRO 105 -8.297 11.308 -7.269 647 HD2 PRO 105 2HD PRO 105 -10.036 9.439 -6.274 648 HD3 PRO 105 3HD PRO 105 -8.626 10.069 -5.418 649 H LYS 106 H LYS 106 -13.245 13.285 -5.036 650 HA LYS 106 HA LYS 106 -14.685 12.137 -7.344 651 HB2 LYS 106 2HB LYS 106 -14.889 10.670 -5.257 652 HB3 LYS 106 3HB LYS 106 -15.689 12.036 -4.461 653 HG2 LYS 106 2HG LYS 106 -17.219 12.102 -6.462 654 HG3 LYS 106 3HG LYS 106 -16.553 10.540 -6.969 655 HD2 LYS 106 2HD LYS 106 -17.261 9.629 -4.674 656 HD3 LYS 106 3HD LYS 106 -18.118 11.167 -4.429 657 HE2 LYS 106 2HE LYS 106 -19.343 10.707 -6.619 658 HE3 LYS 106 3HE LYS 106 -18.609 9.096 -6.625 659 HZ1 LYS 106 3HZ LYS 106 -20.835 9.108 -5.657 660 HZ2 LYS 106 1HZ LYS 106 -20.384 10.118 -4.462 661 HZ3 LYS 106 2HZ LYS 106 -19.721 8.612 -4.553 662 H ARG 107 H ARG 107 -13.908 14.423 -7.801 663 HA ARG 107 HA ARG 107 -16.231 16.217 -7.468 664 HB2 ARG 107 2HB ARG 107 -14.644 16.858 -5.672 665 HB3 ARG 107 3HB ARG 107 -13.378 17.110 -6.881 666 HG2 ARG 107 2HG ARG 107 -14.867 18.857 -7.973 667 HG3 ARG 107 3HG ARG 107 -16.019 18.627 -6.650 668 HD2 ARG 107 2HD ARG 107 -14.335 19.353 -5.027 669 HD3 ARG 107 3HD ARG 107 -13.121 19.490 -6.295 670 HE ARG 107 HE ARG 107 -15.545 21.227 -5.960 671 HH11 ARG 107 1HH1 ARG 107 -12.600 20.701 -7.790 672 HH12 ARG 107 2HH1 ARG 107 -12.471 22.404 -8.195 673 HH21 ARG 107 2HH2 ARG 107 -14.164 23.820 -7.634 674 HH22 ARG 107 1HH2 ARG 107 -15.517 23.161 -6.737 Start of MODEL 7 1 H1 ALA 27 H1 ALA 27 14.294 7.440 2.234 2 H2 ALA 27 H2 ALA 27 14.551 9.042 2.511 3 H3 ALA 27 H3 ALA 27 13.162 8.324 3.029 4 HA ALA 27 HA ALA 27 15.869 7.720 3.977 5 HB1 ALA 27 1HB ALA 27 13.589 9.205 5.356 6 HB2 ALA 27 2HB ALA 27 15.124 8.742 6.125 7 HB3 ALA 27 3HB ALA 27 15.119 9.904 4.788 8 H THR 28 H THR 28 15.955 6.362 5.860 9 HA THR 28 HA THR 28 15.827 4.355 6.722 10 HB THR 28 HB THR 28 14.273 5.832 8.029 11 HG1 THR 28 1HG THR 28 13.514 3.308 8.675 12 HG21 THR 28 1HG2 THR 28 11.978 5.015 8.368 13 HG22 THR 28 2HG2 THR 28 12.143 3.933 6.967 14 HG23 THR 28 3HG2 THR 28 12.202 5.691 6.755 15 H GLN 29 H GLN 29 14.842 4.351 3.797 16 HA GLN 29 HA GLN 29 13.081 2.308 3.259 17 HB2 GLN 29 2HB GLN 29 15.410 3.465 1.784 18 HB3 GLN 29 3HB GLN 29 14.697 1.970 1.194 19 HG2 GLN 29 2HG GLN 29 13.371 3.388 0.081 20 HG3 GLN 29 3HG GLN 29 12.402 3.128 1.470 21 HE21 GLN 29 2HE2 GLN 29 11.953 6.625 1.543 22 HE22 GLN 29 1HE2 GLN 29 11.242 5.009 1.440 23 H THR 30 H THR 30 12.949 0.253 3.357 24 HA THR 30 HA THR 30 15.312 -1.532 3.555 25 HB THR 30 HB THR 30 13.666 -3.386 3.582 26 HG1 THR 30 1HG THR 30 11.486 -2.755 3.996 27 HG21 THR 30 1HG2 THR 30 12.777 -2.943 5.877 28 HG22 THR 30 2HG2 THR 30 13.364 -1.276 5.735 29 HG23 THR 30 3HG2 THR 30 14.515 -2.615 5.713 30 H GLU 31 H GLU 31 15.362 -3.362 1.856 31 HA GLU 31 HA GLU 31 14.973 -2.416 -0.865 32 HB2 GLU 31 2HB GLU 31 15.646 -5.059 0.407 33 HB3 GLU 31 3HB GLU 31 15.322 -4.929 -1.319 34 HG2 GLU 31 2HG GLU 31 17.422 -3.300 0.181 35 HG3 GLU 31 3HG GLU 31 17.724 -4.772 -0.722 36 H GLY 32 H GLY 32 13.010 -4.188 1.461 37 HA2 GLY 32 2HA GLY 32 10.851 -5.036 -0.171 38 HA3 GLY 32 3HA GLY 32 10.814 -4.714 1.562 39 H GLU 33 H GLU 33 11.371 -1.895 1.609 40 HA GLU 33 HA GLU 33 8.970 -0.655 1.085 41 HB2 GLU 33 2HB GLU 33 11.334 -0.027 2.271 42 HB3 GLU 33 3HB GLU 33 11.540 0.927 0.833 43 HG2 GLU 33 2HG GLU 33 8.987 1.125 2.378 44 HG3 GLU 33 3HG GLU 33 10.443 1.763 3.101 45 H LEU 34 H LEU 34 11.811 -0.826 -1.039 46 HA LEU 34 HA LEU 34 10.803 0.741 -3.211 47 HB2 LEU 34 2HB LEU 34 12.815 -1.507 -3.477 48 HB3 LEU 34 3HB LEU 34 12.717 -0.002 -4.374 49 HG LEU 34 HG LEU 34 13.593 -0.386 -1.510 50 HD11 LEU 34 1HD1 LEU 34 15.126 0.498 -3.967 51 HD12 LEU 34 2HD1 LEU 34 15.221 -1.103 -3.206 52 HD13 LEU 34 3HD1 LEU 34 15.783 0.328 -2.321 53 HD21 LEU 34 3HD2 LEU 34 13.430 2.167 -3.168 54 HD22 LEU 34 1HD2 LEU 34 14.233 2.028 -1.583 55 HD23 LEU 34 2HD2 LEU 34 12.479 1.808 -1.711 56 H ARG 35 H ARG 35 11.108 -2.751 -2.725 57 HA ARG 35 HA ARG 35 9.954 -3.822 -5.088 58 HB2 ARG 35 2HB ARG 35 11.244 -5.069 -3.425 59 HB3 ARG 35 3HB ARG 35 10.007 -4.807 -2.210 60 HG2 ARG 35 2HG ARG 35 8.896 -6.615 -2.825 61 HG3 ARG 35 3HG ARG 35 8.657 -5.993 -4.438 62 HD2 ARG 35 2HD ARG 35 9.832 -7.994 -4.826 63 HD3 ARG 35 3HD ARG 35 11.129 -6.820 -4.890 64 HE ARG 35 HE ARG 35 10.513 -8.651 -2.583 65 HH11 ARG 35 1HH1 ARG 35 13.142 -6.901 -4.200 66 HH12 ARG 35 2HH1 ARG 35 14.182 -7.215 -2.825 67 HH21 ARG 35 2HH2 ARG 35 13.420 -8.113 -0.973 68 HH22 ARG 35 1HH2 ARG 35 11.886 -8.968 -1.055 69 H VAL 36 H VAL 36 8.407 -3.009 -1.980 70 HA VAL 36 HA VAL 36 5.793 -3.793 -2.871 71 HB VAL 36 HB VAL 36 6.794 -2.144 -0.504 72 HG11 VAL 36 1HG1 VAL 36 4.454 -2.346 0.435 73 HG12 VAL 36 2HG1 VAL 36 4.650 -1.167 -0.862 74 HG13 VAL 36 3HG1 VAL 36 3.902 -2.733 -1.214 75 HG21 VAL 36 3HG2 VAL 36 6.016 -4.114 0.774 76 HG22 VAL 36 1HG2 VAL 36 5.454 -4.878 -0.734 77 HG23 VAL 36 2HG2 VAL 36 7.179 -4.594 -0.467 78 H THR 37 H THR 37 7.500 -0.592 -2.588 79 HA THR 37 HA THR 37 5.424 1.003 -3.596 80 HB THR 37 HB THR 37 8.383 1.285 -4.003 81 HG1 THR 37 1HG THR 37 7.945 1.494 -1.914 82 HG21 THR 37 1HG2 THR 37 6.178 3.285 -4.554 83 HG22 THR 37 2HG2 THR 37 7.403 2.680 -5.695 84 HG23 THR 37 3HG2 THR 37 7.890 3.741 -4.379 85 H GLN 38 H GLN 38 7.781 -0.898 -5.475 86 HA GLN 38 HA GLN 38 7.027 0.169 -8.020 87 HB2 GLN 38 2HB GLN 38 8.160 -2.577 -7.327 88 HB3 GLN 38 3HB GLN 38 7.987 -1.922 -8.929 89 HG2 GLN 38 2HG GLN 38 10.069 -1.415 -6.920 90 HG3 GLN 38 3HG GLN 38 10.166 -1.434 -8.653 91 HE21 GLN 38 2HE2 GLN 38 9.824 2.094 -6.627 92 HE22 GLN 38 1HE2 GLN 38 9.629 0.532 -5.836 93 H ILE 39 H ILE 39 5.775 -2.681 -6.256 94 HA ILE 39 HA ILE 39 3.946 -3.444 -8.377 95 HB ILE 39 HB ILE 39 3.936 -4.240 -5.450 96 HG12 ILE 39 2HG1 ILE 39 5.108 -5.813 -7.786 97 HG13 ILE 39 3HG1 ILE 39 6.095 -4.773 -6.769 98 HG21 ILE 39 1HG2 ILE 39 1.795 -4.759 -6.516 99 HG22 ILE 39 2HG2 ILE 39 2.618 -5.399 -7.956 100 HG23 ILE 39 3HG2 ILE 39 2.711 -6.260 -6.419 101 HD11 ILE 39 3HD1 ILE 39 5.399 -6.069 -4.754 102 HD12 ILE 39 1HD1 ILE 39 4.582 -7.228 -5.832 103 HD13 ILE 39 2HD1 ILE 39 6.330 -6.993 -5.951 104 H LEU 40 H LEU 40 3.740 -1.316 -5.540 105 HA LEU 40 HA LEU 40 0.916 -0.793 -5.757 106 HB2 LEU 40 2HB LEU 40 3.264 0.750 -4.568 107 HB3 LEU 40 3HB LEU 40 1.621 1.367 -4.556 108 HG LEU 40 HG LEU 40 2.562 -1.277 -3.342 109 HD11 LEU 40 1HD1 LEU 40 2.177 -0.166 -1.181 110 HD12 LEU 40 2HD1 LEU 40 1.678 1.325 -2.020 111 HD13 LEU 40 3HD1 LEU 40 3.351 0.734 -2.151 112 HD21 LEU 40 3HD2 LEU 40 0.309 -1.250 -2.178 113 HD22 LEU 40 1HD2 LEU 40 0.266 -1.627 -3.896 114 HD23 LEU 40 2HD2 LEU 40 -0.190 -0.001 -3.347 115 H LYS 41 H LYS 41 3.676 0.910 -7.323 116 HA LYS 41 HA LYS 41 2.089 2.797 -8.735 117 HB2 LYS 41 2HB LYS 41 4.705 1.599 -9.711 118 HB3 LYS 41 3HB LYS 41 3.926 3.100 -10.265 119 HG2 LYS 41 2HG LYS 41 3.898 3.489 -7.580 120 HG3 LYS 41 3HG LYS 41 5.329 2.497 -7.726 121 HD2 LYS 41 2HD LYS 41 6.391 4.080 -9.244 122 HD3 LYS 41 3HD LYS 41 4.935 5.118 -9.212 123 HE2 LYS 41 2HE LYS 41 5.111 5.349 -6.778 124 HE3 LYS 41 3HE LYS 41 6.476 4.249 -6.732 125 HZ1 LYS 41 3HZ LYS 41 6.553 6.824 -8.208 126 HZ2 LYS 41 1HZ LYS 41 7.831 5.870 -7.851 127 HZ3 LYS 41 2HZ LYS 41 7.040 6.685 -6.652 128 H GLU 42 H GLU 42 2.440 -0.639 -9.404 129 HA GLU 42 HA GLU 42 1.374 -0.491 -12.023 130 HB2 GLU 42 2HB GLU 42 2.265 -2.438 -10.034 131 HB3 GLU 42 3HB GLU 42 1.604 -2.976 -11.439 132 HG2 GLU 42 2HG GLU 42 3.415 -2.063 -12.645 133 HG3 GLU 42 3HG GLU 42 4.123 -1.308 -11.234 134 H LYS 43 H LYS 43 0.222 -1.650 -8.818 135 HA LYS 43 HA LYS 43 -2.329 -2.321 -10.016 136 HB2 LYS 43 2HB LYS 43 -1.710 -2.036 -7.059 137 HB3 LYS 43 3HB LYS 43 -3.124 -2.769 -7.839 138 HG2 LYS 43 2HG LYS 43 -0.354 -3.920 -7.888 139 HG3 LYS 43 3HG LYS 43 -1.727 -4.440 -6.936 140 HD2 LYS 43 2HD LYS 43 -2.997 -5.147 -8.816 141 HD3 LYS 43 3HD LYS 43 -1.849 -4.408 -9.935 142 HE2 LYS 43 2HE LYS 43 -0.066 -5.977 -9.060 143 HE3 LYS 43 3HE LYS 43 -1.284 -6.713 -8.011 144 HZ1 LYS 43 3HZ LYS 43 -1.099 -8.060 -9.929 145 HZ2 LYS 43 1HZ LYS 43 -1.194 -6.801 -10.966 146 HZ3 LYS 43 2HZ LYS 43 -2.528 -7.237 -10.144 147 H PHE 44 H PHE 44 -0.914 0.555 -8.678 148 HA PHE 44 HA PHE 44 -3.439 1.910 -9.232 149 HB2 PHE 44 2HB PHE 44 -1.700 2.574 -6.804 150 HB3 PHE 44 3HB PHE 44 -3.295 3.226 -7.151 151 HD1 PHE 44 1HD PHE 44 -5.328 1.866 -6.862 152 HD2 PHE 44 2HD PHE 44 -1.446 0.404 -5.698 153 HE1 PHE 44 1HE PHE 44 -6.396 0.061 -5.533 154 HE2 PHE 44 2HE PHE 44 -2.512 -1.416 -4.397 155 HZ PHE 44 HZ PHE 44 -4.993 -1.579 -4.320 156 HA PRO 45 HA PRO 45 -0.157 4.486 -11.248 157 HB2 PRO 45 2HB PRO 45 -1.050 4.186 -13.860 158 HB3 PRO 45 3HB PRO 45 0.209 3.182 -13.091 159 HG2 PRO 45 2HG PRO 45 -2.757 2.577 -13.325 160 HG3 PRO 45 3HG PRO 45 -1.385 1.498 -13.707 161 HD2 PRO 45 2HD PRO 45 -2.530 1.167 -11.385 162 HD3 PRO 45 3HD PRO 45 -0.834 1.263 -11.349 163 H ARG 46 H ARG 46 -3.734 4.393 -11.478 164 HA ARG 46 HA ARG 46 -3.815 7.154 -12.421 165 HB2 ARG 46 2HB ARG 46 -5.980 5.305 -11.327 166 HB3 ARG 46 3HB ARG 46 -6.296 6.929 -11.836 167 HG2 ARG 46 2HG ARG 46 -5.246 4.590 -13.476 168 HG3 ARG 46 3HG ARG 46 -6.903 5.188 -13.426 169 HD2 ARG 46 2HD ARG 46 -4.465 6.598 -14.527 170 HD3 ARG 46 3HD ARG 46 -5.900 5.945 -15.328 171 HE ARG 46 HE ARG 46 -7.044 7.820 -13.708 172 HH11 ARG 46 1HH1 ARG 46 -4.337 8.183 -15.920 173 HH12 ARG 46 2HH1 ARG 46 -4.375 9.928 -15.771 174 HH21 ARG 46 2HH2 ARG 46 -6.109 10.897 -14.754 175 HH22 ARG 46 1HH2 ARG 46 -7.225 9.910 -13.788 176 H ALA 47 H ALA 47 -3.215 5.848 -9.359 177 HA ALA 47 HA ALA 47 -4.599 7.444 -7.584 178 HB1 ALA 47 1HB ALA 47 -1.761 6.382 -7.374 179 HB2 ALA 47 2HB ALA 47 -2.789 6.876 -6.017 180 HB3 ALA 47 3HB ALA 47 -3.253 5.485 -6.999 181 H THR 48 H THR 48 -4.294 9.287 -6.433 182 HA THR 48 HA THR 48 -2.569 11.385 -7.712 183 HB THR 48 HB THR 48 -3.952 13.026 -6.635 184 HG1 THR 48 1HG THR 48 -5.609 12.456 -5.348 185 HG21 THR 48 1HG2 THR 48 -4.855 12.091 -8.783 186 HG22 THR 48 2HG2 THR 48 -6.128 12.649 -7.680 187 HG23 THR 48 3HG2 THR 48 -5.816 10.922 -7.845 188 H ALA 49 H ALA 49 -3.029 9.570 -4.696 189 HA ALA 49 HA ALA 49 -0.285 10.555 -4.006 190 HB1 ALA 49 1HB ALA 49 -0.754 10.162 -1.638 191 HB2 ALA 49 2HB ALA 49 -1.911 11.341 -2.284 192 HB3 ALA 49 3HB ALA 49 -2.410 9.660 -2.012 193 H ILE 50 H ILE 50 1.239 8.953 -3.832 194 HA ILE 50 HA ILE 50 0.534 6.269 -2.978 195 HB ILE 50 HB ILE 50 2.119 5.418 -5.021 196 HG12 ILE 50 2HG1 ILE 50 0.324 7.422 -6.446 197 HG13 ILE 50 3HG1 ILE 50 2.046 7.669 -6.157 198 HG21 ILE 50 1HG2 ILE 50 0.195 4.335 -5.958 199 HG22 ILE 50 2HG2 ILE 50 0.020 4.411 -4.203 200 HG23 ILE 50 3HG2 ILE 50 -0.884 5.535 -5.237 201 HD11 ILE 50 3HD1 ILE 50 1.740 6.861 -8.407 202 HD12 ILE 50 1HD1 ILE 50 2.550 5.598 -7.461 203 HD13 ILE 50 2HD1 ILE 50 0.816 5.458 -7.851 204 H LYS 51 H LYS 51 1.814 6.266 -1.305 205 HA LYS 51 HA LYS 51 4.743 6.309 -1.718 206 HB2 LYS 51 2HB LYS 51 5.125 7.941 -0.016 207 HB3 LYS 51 3HB LYS 51 4.152 8.601 -1.318 208 HG2 LYS 51 2HG LYS 51 2.110 7.947 0.254 209 HG3 LYS 51 3HG LYS 51 3.353 7.907 1.513 210 HD2 LYS 51 2HD LYS 51 2.476 10.086 1.597 211 HD3 LYS 51 3HD LYS 51 3.991 10.268 0.676 212 HE2 LYS 51 2HE LYS 51 2.742 10.258 -1.438 213 HE3 LYS 51 3HE LYS 51 1.238 9.871 -0.598 214 HZ1 LYS 51 3HZ LYS 51 2.769 12.380 -0.140 215 HZ2 LYS 51 1HZ LYS 51 1.287 12.016 0.468 216 HZ3 LYS 51 2HZ LYS 51 1.493 12.279 -1.148 217 H VAL 52 H VAL 52 5.946 5.406 -0.082 218 HA VAL 52 HA VAL 52 4.587 3.674 1.951 219 HB VAL 52 HB VAL 52 7.000 2.873 0.272 220 HG11 VAL 52 1HG1 VAL 52 6.509 0.594 1.103 221 HG12 VAL 52 2HG1 VAL 52 6.841 1.702 2.430 222 HG13 VAL 52 3HG1 VAL 52 5.173 1.239 2.082 223 HG21 VAL 52 3HG2 VAL 52 5.099 2.936 -1.280 224 HG22 VAL 52 1HG2 VAL 52 5.584 1.291 -0.953 225 HG23 VAL 52 2HG2 VAL 52 4.128 1.959 -0.152 226 H THR 53 H THR 53 5.608 3.505 3.974 227 HA THR 53 HA THR 53 8.503 4.270 4.034 228 HB THR 53 HB THR 53 6.414 5.078 6.124 229 HG1 THR 53 1HG THR 53 6.781 7.082 5.455 230 HG21 THR 53 1HG2 THR 53 9.429 5.208 6.090 231 HG22 THR 53 2HG2 THR 53 8.321 4.568 7.338 232 HG23 THR 53 3HG2 THR 53 8.440 6.313 7.068 233 H ASP 54 H ASP 54 9.784 2.865 4.996 234 HA ASP 54 HA ASP 54 8.619 0.423 6.179 235 HB2 ASP 54 2HB ASP 54 10.659 0.113 4.947 236 HB3 ASP 54 3HB ASP 54 11.463 1.443 5.686 237 H ILE 55 H ILE 55 8.324 0.055 8.215 238 HA ILE 55 HA ILE 55 9.493 1.804 10.305 239 HB ILE 55 HB ILE 55 7.322 1.701 11.570 240 HG12 ILE 55 2HG1 ILE 55 6.278 0.703 8.898 241 HG13 ILE 55 3HG1 ILE 55 5.999 0.038 10.491 242 HG21 ILE 55 1HG2 ILE 55 7.195 3.255 8.963 243 HG22 ILE 55 2HG2 ILE 55 6.528 3.716 10.538 244 HG23 ILE 55 3HG2 ILE 55 8.274 3.674 10.316 245 HD11 ILE 55 3HD1 ILE 55 4.845 2.591 9.273 246 HD12 ILE 55 1HD1 ILE 55 3.974 1.107 9.646 247 HD13 ILE 55 2HD1 ILE 55 4.593 2.115 10.975 248 H SER 56 H SER 56 10.410 -0.599 9.182 249 HA SER 56 HA SER 56 10.597 -2.291 11.587 250 HB2 SER 56 2HB SER 56 10.473 -4.300 10.055 251 HB3 SER 56 3HB SER 56 9.030 -3.521 10.619 252 HG SER 56 HG SER 56 9.927 -2.461 8.202 253 H GLY 57 H GLY 57 12.595 -0.811 11.502 254 HA2 GLY 57 2HA GLY 57 14.726 -1.270 9.729 255 HA3 GLY 57 3HA GLY 57 14.897 -0.759 11.409 256 H GLY 58 H GLY 58 13.599 -3.550 12.140 257 HA2 GLY 58 2HA GLY 58 16.163 -5.083 12.110 258 HA3 GLY 58 3HA GLY 58 14.928 -5.149 13.359 259 H CYS 59 H CYS 59 13.081 -5.262 10.701 260 HA CYS 59 HA CYS 59 13.492 -8.117 9.921 261 HB2 CYS 59 2HB CYS 59 11.446 -7.050 11.802 262 HB3 CYS 59 3HB CYS 59 10.835 -8.175 10.568 263 HG CYS 59 HG CYS 59 13.480 -8.616 12.500 264 H GLY 60 H GLY 60 12.276 -5.005 9.104 265 HA2 GLY 60 2HA GLY 60 11.245 -4.108 7.422 266 HA3 GLY 60 3HA GLY 60 12.038 -5.321 6.386 267 H ALA 61 H ALA 61 9.344 -5.646 8.785 268 HA ALA 61 HA ALA 61 7.736 -7.010 6.686 269 HB1 ALA 61 1HB ALA 61 7.839 -7.532 9.684 270 HB2 ALA 61 2HB ALA 61 6.843 -8.404 8.501 271 HB3 ALA 61 3HB ALA 61 8.611 -8.524 8.425 272 H MET 62 H MET 62 7.868 -4.078 8.025 273 HA MET 62 HA MET 62 4.987 -3.721 8.620 274 HB2 MET 62 2HB MET 62 6.862 -4.091 10.543 275 HB3 MET 62 3HB MET 62 7.250 -2.403 10.181 276 HG2 MET 62 2HG MET 62 4.742 -1.983 10.571 277 HG3 MET 62 3HG MET 62 4.796 -3.613 11.305 278 HE1 MET 62 3HE MET 62 6.573 -4.132 13.289 279 HE2 MET 62 1HE MET 62 7.913 -3.186 12.596 280 HE3 MET 62 2HE MET 62 7.379 -2.878 14.260 281 H TYR 63 H TYR 63 4.143 -2.016 7.469 282 HA TYR 63 HA TYR 63 5.947 0.233 6.776 283 HB2 TYR 63 2HB TYR 63 4.381 -1.282 4.709 284 HB3 TYR 63 3HB TYR 63 5.118 0.170 4.445 285 HD1 TYR 63 HD1 TYR 63 7.698 0.140 4.019 286 HD2 TYR 63 HD2 TYR 63 5.543 -3.396 5.204 287 HE1 TYR 63 HE1 TYR 63 9.708 -1.242 3.653 288 HE2 TYR 63 HE2 TYR 63 7.436 -4.797 4.645 289 HH TYR 63 HH TYR 63 9.727 -4.761 4.317 290 H GLU 64 H GLU 64 5.084 2.108 6.364 291 HA GLU 64 HA GLU 64 2.209 2.645 6.920 292 HB2 GLU 64 2HB GLU 64 4.211 4.024 7.895 293 HB3 GLU 64 3HB GLU 64 4.425 4.631 6.263 294 HG2 GLU 64 2HG GLU 64 1.832 5.091 6.431 295 HG3 GLU 64 3HG GLU 64 2.149 4.912 8.142 296 H ILE 65 H ILE 65 0.912 2.517 5.014 297 HA ILE 65 HA ILE 65 2.165 3.306 2.382 298 HB ILE 65 HB ILE 65 0.152 1.140 2.992 299 HG12 ILE 65 2HG1 ILE 65 2.978 0.917 1.877 300 HG13 ILE 65 3HG1 ILE 65 2.526 0.598 3.543 301 HG21 ILE 65 1HG2 ILE 65 0.259 0.649 0.523 302 HG22 ILE 65 2HG2 ILE 65 -0.411 2.233 0.844 303 HG23 ILE 65 3HG2 ILE 65 1.277 2.090 0.309 304 HD11 ILE 65 3HD1 ILE 65 1.666 -0.987 1.100 305 HD12 ILE 65 1HD1 ILE 65 2.703 -1.498 2.435 306 HD13 ILE 65 2HD1 ILE 65 0.970 -1.202 2.724 307 H LYS 66 H LYS 66 1.254 4.977 1.382 308 HA LYS 66 HA LYS 66 -1.510 5.860 2.170 309 HB2 LYS 66 2HB LYS 66 1.076 7.396 2.094 310 HB3 LYS 66 3HB LYS 66 -0.455 8.235 1.814 311 HG2 LYS 66 2HG LYS 66 -1.243 7.748 3.998 312 HG3 LYS 66 3HG LYS 66 0.001 6.513 4.276 313 HD2 LYS 66 2HD LYS 66 1.746 8.252 4.284 314 HD3 LYS 66 3HD LYS 66 0.521 9.509 4.004 315 HE2 LYS 66 2HE LYS 66 -0.539 9.072 6.134 316 HE3 LYS 66 3HE LYS 66 0.401 7.595 6.374 317 HZ1 LYS 66 3HZ LYS 66 2.392 8.908 6.594 318 HZ2 LYS 66 1HZ LYS 66 1.276 9.472 7.666 319 HZ3 LYS 66 2HZ LYS 66 1.594 10.317 6.293 320 H ILE 67 H ILE 67 -2.790 5.591 0.581 321 HA ILE 67 HA ILE 67 -1.946 6.154 -2.176 322 HB ILE 67 HB ILE 67 -4.050 4.163 -1.405 323 HG12 ILE 67 2HG1 ILE 67 -1.073 3.842 -1.508 324 HG13 ILE 67 3HG1 ILE 67 -2.269 3.116 -0.519 325 HG21 ILE 67 1HG2 ILE 67 -3.776 3.396 -3.746 326 HG22 ILE 67 2HG2 ILE 67 -4.282 5.059 -3.683 327 HG23 ILE 67 3HG2 ILE 67 -2.584 4.688 -4.014 328 HD11 ILE 67 3HD1 ILE 67 -1.134 1.530 -1.980 329 HD12 ILE 67 1HD1 ILE 67 -2.855 1.610 -2.456 330 HD13 ILE 67 2HD1 ILE 67 -1.598 2.425 -3.422 331 H GLU 68 H GLU 68 -3.619 7.233 -3.487 332 HA GLU 68 HA GLU 68 -6.360 7.506 -2.458 333 HB2 GLU 68 2HB GLU 68 -5.266 9.503 -1.546 334 HB3 GLU 68 3HB GLU 68 -4.570 9.837 -3.026 335 HG2 GLU 68 2HG GLU 68 -6.695 10.569 -4.009 336 HG3 GLU 68 3HG GLU 68 -7.631 9.894 -2.705 337 H SER 69 H SER 69 -7.719 7.196 -4.270 338 HA SER 69 HA SER 69 -6.666 7.829 -6.967 339 HB2 SER 69 2HB SER 69 -5.719 5.543 -6.379 340 HB3 SER 69 3HB SER 69 -7.357 4.977 -6.223 341 HG SER 69 HG SER 69 -6.683 4.565 -8.332 342 H GLU 70 H GLU 70 -8.213 8.066 -8.479 343 HA GLU 70 HA GLU 70 -10.882 8.479 -7.744 344 HB2 GLU 70 2HB GLU 70 -11.168 9.087 -9.952 345 HB3 GLU 70 3HB GLU 70 -9.557 9.598 -9.521 346 HG2 GLU 70 2HG GLU 70 -8.623 7.570 -10.599 347 HG3 GLU 70 3HG GLU 70 -10.232 7.079 -11.124 348 H GLU 71 H GLU 71 -9.441 5.468 -8.291 349 HA GLU 71 HA GLU 71 -11.775 4.087 -9.417 350 HB2 GLU 71 2HB GLU 71 -10.443 2.210 -9.589 351 HB3 GLU 71 3HB GLU 71 -9.363 3.557 -9.943 352 HG2 GLU 71 2HG GLU 71 -8.900 3.369 -7.283 353 HG3 GLU 71 3HG GLU 71 -9.465 1.727 -7.545 354 H PHE 72 H PHE 72 -10.740 4.970 -6.246 355 HA PHE 72 HA PHE 72 -12.013 2.718 -4.898 356 HB2 PHE 72 2HB PHE 72 -10.534 5.226 -4.111 357 HB3 PHE 72 3HB PHE 72 -11.237 4.201 -2.906 358 HD1 PHE 72 1HD PHE 72 -10.502 1.440 -3.886 359 HD2 PHE 72 2HD PHE 72 -8.296 5.134 -3.628 360 HE1 PHE 72 1HE PHE 72 -8.416 0.182 -3.479 361 HE2 PHE 72 2HE PHE 72 -6.210 3.860 -3.197 362 HZ PHE 72 HZ PHE 72 -6.269 1.380 -3.137 363 H LYS 73 H LYS 73 -13.723 4.883 -6.451 364 HA LYS 73 HA LYS 73 -15.129 6.307 -4.375 365 HB2 LYS 73 2HB LYS 73 -16.464 7.315 -6.193 366 HB3 LYS 73 3HB LYS 73 -14.747 7.553 -6.275 367 HG2 LYS 73 2HG LYS 73 -15.246 7.131 -8.446 368 HG3 LYS 73 3HG LYS 73 -14.720 5.538 -7.907 369 HD2 LYS 73 2HD LYS 73 -17.190 4.944 -7.585 370 HD3 LYS 73 3HD LYS 73 -17.588 6.527 -8.283 371 HE2 LYS 73 2HE LYS 73 -16.228 5.981 -10.282 372 HE3 LYS 73 3HE LYS 73 -15.875 4.382 -9.605 373 HZ1 LYS 73 3HZ LYS 73 -17.821 4.733 -11.269 374 HZ2 LYS 73 1HZ LYS 73 -18.685 5.240 -9.975 375 HZ3 LYS 73 2HZ LYS 73 -18.093 3.720 -10.000 376 H GLU 74 H GLU 74 -15.914 3.252 -5.697 377 HA GLU 74 HA GLU 74 -18.419 3.359 -4.058 378 HB2 GLU 74 2HB GLU 74 -18.808 3.105 -6.467 379 HB3 GLU 74 3HB GLU 74 -17.895 1.600 -6.484 380 HG2 GLU 74 2HG GLU 74 -19.586 0.429 -5.339 381 HG3 GLU 74 3HG GLU 74 -20.183 1.878 -4.525 382 H LYS 75 H LYS 75 -15.634 2.910 -3.192 383 HA LYS 75 HA LYS 75 -15.891 0.190 -1.952 384 HB2 LYS 75 2HB LYS 75 -13.381 1.838 -2.381 385 HB3 LYS 75 3HB LYS 75 -13.460 0.235 -1.649 386 HG2 LYS 75 2HG LYS 75 -14.161 0.914 -4.524 387 HG3 LYS 75 3HG LYS 75 -12.642 0.227 -3.963 388 HD2 LYS 75 2HD LYS 75 -13.517 -1.879 -3.546 389 HD3 LYS 75 3HD LYS 75 -15.182 -1.286 -3.332 390 HE2 LYS 75 2HE LYS 75 -15.280 -0.618 -5.677 391 HE3 LYS 75 3HE LYS 75 -13.648 -1.272 -5.955 392 HZ1 LYS 75 3HZ LYS 75 -14.539 -3.468 -5.354 393 HZ2 LYS 75 1HZ LYS 75 -15.357 -2.820 -6.630 394 HZ3 LYS 75 2HZ LYS 75 -16.055 -2.803 -5.149 395 H ARG 76 H ARG 76 -16.198 0.007 0.132 396 HA ARG 76 HA ARG 76 -16.116 2.136 2.038 397 HB2 ARG 76 2HB ARG 76 -15.752 -0.841 2.553 398 HB3 ARG 76 3HB ARG 76 -16.280 0.427 3.573 399 HG2 ARG 76 2HG ARG 76 -18.310 0.750 2.034 400 HG3 ARG 76 3HG ARG 76 -17.899 -0.882 1.431 401 HD2 ARG 76 2HD ARG 76 -18.224 -1.869 3.575 402 HD3 ARG 76 3HD ARG 76 -18.154 -0.291 4.383 403 HE ARG 76 HE ARG 76 -20.348 -0.297 2.567 404 HH11 ARG 76 1HH1 ARG 76 -19.509 -1.553 5.757 405 HH12 ARG 76 2HH1 ARG 76 -21.134 -1.307 6.358 406 HH21 ARG 76 2HH2 ARG 76 -22.731 -0.628 5.019 407 HH22 ARG 76 1HH2 ARG 76 -22.409 -0.183 3.360 408 H THR 77 H THR 77 -14.567 2.250 3.779 409 HA THR 77 HA THR 77 -11.854 2.331 3.509 410 HB THR 77 HB THR 77 -13.455 1.242 5.818 411 HG1 THR 77 1HG THR 77 -12.732 3.847 6.003 412 HG21 THR 77 1HG2 THR 77 -11.059 0.989 6.325 413 HG22 THR 77 2HG2 THR 77 -11.681 2.346 7.264 414 HG23 THR 77 3HG2 THR 77 -10.730 2.655 5.793 415 H VAL 78 H VAL 78 -13.492 -0.588 4.728 416 HA VAL 78 HA VAL 78 -11.226 -2.297 4.717 417 HB VAL 78 HB VAL 78 -13.175 -2.678 6.040 418 HG11 VAL 78 1HG1 VAL 78 -14.743 -3.374 3.539 419 HG12 VAL 78 2HG1 VAL 78 -15.305 -3.409 5.217 420 HG13 VAL 78 3HG1 VAL 78 -14.904 -1.862 4.467 421 HG21 VAL 78 3HG2 VAL 78 -12.899 -4.993 4.088 422 HG22 VAL 78 1HG2 VAL 78 -11.790 -4.645 5.431 423 HG23 VAL 78 2HG2 VAL 78 -13.473 -5.064 5.764 424 H GLN 79 H GLN 79 -13.628 -1.738 2.144 425 HA GLN 79 HA GLN 79 -12.540 -3.852 0.445 426 HB2 GLN 79 2HB GLN 79 -14.384 -1.564 -0.367 427 HB3 GLN 79 3HB GLN 79 -13.969 -3.017 -1.289 428 HG2 GLN 79 2HG GLN 79 -14.903 -4.095 1.044 429 HG3 GLN 79 3HG GLN 79 -15.968 -2.709 0.834 430 HE21 GLN 79 2HE2 GLN 79 -17.711 -4.267 -1.885 431 HE22 GLN 79 1HE2 GLN 79 -17.398 -2.719 -1.123 432 H GLN 80 H GLN 80 -11.911 -0.372 0.820 433 HA GLN 80 HA GLN 80 -10.091 -0.131 -1.425 434 HB2 GLN 80 2HB GLN 80 -10.160 1.386 1.224 435 HB3 GLN 80 3HB GLN 80 -9.197 1.819 -0.186 436 HG2 GLN 80 2HG GLN 80 -11.159 2.332 -1.482 437 HG3 GLN 80 3HG GLN 80 -12.227 1.709 -0.246 438 HE21 GLN 80 2HE2 GLN 80 -12.462 5.239 0.452 439 HE22 GLN 80 1HE2 GLN 80 -13.297 3.877 -0.316 440 H HIS 81 H HIS 81 -9.496 -0.748 2.126 441 HA HIS 81 HA HIS 81 -6.743 -1.151 2.050 442 HB2 HIS 81 2HB HIS 81 -8.819 -2.717 3.641 443 HB3 HIS 81 3HB HIS 81 -7.094 -2.779 3.931 444 HD1 HIS 81 1HD HIS 81 -9.084 -1.956 6.142 445 HD2 HIS 81 2HD HIS 81 -6.752 0.590 3.741 446 HE1 HIS 81 1HE HIS 81 -8.770 0.214 7.480 447 H GLN 82 H GLN 82 -9.189 -3.753 1.606 448 HA GLN 82 HA GLN 82 -7.645 -5.952 1.100 449 HB2 GLN 82 2HB GLN 82 -9.930 -6.188 1.325 450 HB3 GLN 82 3HB GLN 82 -10.296 -4.987 0.096 451 HG2 GLN 82 2HG GLN 82 -10.879 -7.179 -0.638 452 HG3 GLN 82 3HG GLN 82 -9.675 -6.474 -1.695 453 HE21 GLN 82 2HE2 GLN 82 -8.751 -9.966 -1.475 454 HE22 GLN 82 1HE2 GLN 82 -9.817 -8.826 -2.288 455 H MET 83 H MET 83 -8.485 -3.490 -1.431 456 HA MET 83 HA MET 83 -7.203 -4.799 -3.600 457 HB2 MET 83 2HB MET 83 -7.603 -1.828 -3.087 458 HB3 MET 83 3HB MET 83 -7.239 -2.557 -4.650 459 HG2 MET 83 2HG MET 83 -9.263 -3.835 -4.592 460 HG3 MET 83 3HG MET 83 -9.684 -3.293 -3.001 461 HE1 MET 83 3HE MET 83 -9.447 -2.211 -6.782 462 HE2 MET 83 1HE MET 83 -9.977 -0.515 -6.698 463 HE3 MET 83 2HE MET 83 -8.408 -0.983 -6.012 464 H VAL 84 H VAL 84 -5.980 -2.427 -1.327 465 HA VAL 84 HA VAL 84 -3.270 -2.215 -2.409 466 HB VAL 84 HB VAL 84 -3.990 -1.561 0.458 467 HG11 VAL 84 1HG1 VAL 84 -1.723 -1.082 0.070 468 HG12 VAL 84 2HG1 VAL 84 -2.043 -0.448 -1.556 469 HG13 VAL 84 3HG1 VAL 84 -2.504 0.518 -0.148 470 HG21 VAL 84 3HG2 VAL 84 -4.744 0.106 -1.948 471 HG22 VAL 84 1HG2 VAL 84 -5.792 -0.553 -0.661 472 HG23 VAL 84 2HG2 VAL 84 -4.667 0.712 -0.271 473 H ASN 85 H ASN 85 -4.782 -4.388 -0.188 474 HA ASN 85 HA ASN 85 -2.378 -5.493 1.071 475 HB2 ASN 85 2HB ASN 85 -5.361 -5.951 1.075 476 HB3 ASN 85 3HB ASN 85 -4.332 -7.307 1.554 477 HD21 ASN 85 2HD2 ASN 85 -4.845 -4.148 4.044 478 HD22 ASN 85 1HD2 ASN 85 -5.227 -3.977 2.327 479 H GLN 86 H GLN 86 -4.756 -6.540 -1.416 480 HA GLN 86 HA GLN 86 -3.438 -8.966 -2.169 481 HB2 GLN 86 2HB GLN 86 -5.656 -7.121 -3.113 482 HB3 GLN 86 3HB GLN 86 -4.914 -8.039 -4.339 483 HG2 GLN 86 2HG GLN 86 -6.266 -9.114 -1.850 484 HG3 GLN 86 3HG GLN 86 -6.894 -9.202 -3.490 485 HE21 GLN 86 2HE2 GLN 86 -4.836 -12.319 -2.171 486 HE22 GLN 86 1HE2 GLN 86 -5.712 -11.131 -1.197 487 H ALA 87 H ALA 87 -2.687 -5.645 -3.019 488 HA ALA 87 HA ALA 87 -1.601 -5.992 -5.593 489 HB1 ALA 87 1HB ALA 87 -0.735 -4.133 -3.316 490 HB2 ALA 87 2HB ALA 87 -0.314 -3.932 -5.025 491 HB3 ALA 87 3HB ALA 87 -2.009 -3.800 -4.510 492 H LEU 88 H LEU 88 -0.118 -6.421 -2.411 493 HA LEU 88 HA LEU 88 2.266 -7.769 -3.712 494 HB2 LEU 88 2HB LEU 88 3.718 -6.812 -2.288 495 HB3 LEU 88 3HB LEU 88 2.758 -5.555 -3.037 496 HG LEU 88 HG LEU 88 3.148 -4.790 -0.901 497 HD11 LEU 88 1HD1 LEU 88 1.087 -4.645 0.322 498 HD12 LEU 88 2HD1 LEU 88 0.432 -6.054 -0.519 499 HD13 LEU 88 3HD1 LEU 88 0.759 -4.543 -1.409 500 HD21 LEU 88 3HD2 LEU 88 4.024 -6.864 0.042 501 HD22 LEU 88 1HD2 LEU 88 2.366 -7.424 0.356 502 HD23 LEU 88 2HD2 LEU 88 2.989 -5.980 1.171 503 H LYS 89 H LYS 89 -0.304 -8.687 -2.018 504 HA LYS 89 HA LYS 89 0.550 -10.148 0.197 505 HB2 LYS 89 2HB LYS 89 -1.773 -9.767 -0.411 506 HB3 LYS 89 3HB LYS 89 -1.616 -10.755 -1.865 507 HG2 LYS 89 2HG LYS 89 -1.577 -12.711 -0.732 508 HG3 LYS 89 3HG LYS 89 -0.768 -12.083 0.651 509 HD2 LYS 89 2HD LYS 89 -3.717 -11.669 0.008 510 HD3 LYS 89 3HD LYS 89 -3.075 -12.802 1.203 511 HE2 LYS 89 2HE LYS 89 -2.169 -10.938 2.530 512 HE3 LYS 89 3HE LYS 89 -2.718 -9.768 1.329 513 HZ1 LYS 89 3HZ LYS 89 -4.524 -11.547 2.883 514 HZ2 LYS 89 1HZ LYS 89 -5.011 -10.427 1.805 515 HZ3 LYS 89 2HZ LYS 89 -4.265 -9.979 3.213 516 H GLU 90 H GLU 90 0.813 -11.127 -3.253 517 HA GLU 90 HA GLU 90 1.553 -13.763 -2.411 518 HB2 GLU 90 2HB GLU 90 0.945 -12.321 -4.961 519 HB3 GLU 90 3HB GLU 90 1.980 -13.681 -5.112 520 HG2 GLU 90 2HG GLU 90 0.342 -15.141 -3.990 521 HG3 GLU 90 3HG GLU 90 -0.702 -13.752 -3.686 522 H GLU 91 H GLU 91 3.236 -11.209 -2.029 523 HA GLU 91 HA GLU 91 5.953 -12.191 -2.728 524 HB2 GLU 91 2HB GLU 91 5.306 -10.470 -4.262 525 HB3 GLU 91 3HB GLU 91 4.611 -9.490 -3.006 526 HG2 GLU 91 2HG GLU 91 6.425 -8.379 -3.674 527 HG3 GLU 91 3HG GLU 91 6.875 -9.034 -2.104 528 H ILE 92 H ILE 92 4.255 -9.786 -0.581 529 HA ILE 92 HA ILE 92 5.385 -11.169 1.799 530 HB ILE 92 HB ILE 92 4.612 -8.284 1.912 531 HG12 ILE 92 2HG1 ILE 92 6.078 -8.201 -0.059 532 HG13 ILE 92 3HG1 ILE 92 6.567 -7.277 1.309 533 HG21 ILE 92 1HG2 ILE 92 5.140 -9.525 3.927 534 HG22 ILE 92 2HG2 ILE 92 6.749 -9.922 3.313 535 HG23 ILE 92 3HG2 ILE 92 6.326 -8.234 3.675 536 HD11 ILE 92 3HD1 ILE 92 8.475 -8.341 0.189 537 HD12 ILE 92 1HD1 ILE 92 8.343 -8.891 1.867 538 HD13 ILE 92 2HD1 ILE 92 7.805 -9.945 0.538 539 H LYS 93 H LYS 93 3.555 -12.113 2.951 540 HA LYS 93 HA LYS 93 0.915 -10.887 2.430 541 HB2 LYS 93 2HB LYS 93 0.128 -13.027 3.196 542 HB3 LYS 93 3HB LYS 93 1.093 -13.184 1.741 543 HG2 LYS 93 2HG LYS 93 2.968 -14.027 3.159 544 HG3 LYS 93 3HG LYS 93 1.944 -13.791 4.581 545 HD2 LYS 93 2HD LYS 93 1.832 -16.107 4.031 546 HD3 LYS 93 3HD LYS 93 0.290 -15.414 3.529 547 HE2 LYS 93 2HE LYS 93 0.993 -15.413 1.188 548 HE3 LYS 93 3HE LYS 93 2.638 -15.869 1.646 549 HZ1 LYS 93 3HZ LYS 93 1.718 -17.961 2.540 550 HZ2 LYS 93 1HZ LYS 93 1.412 -17.808 0.928 551 HZ3 LYS 93 2HZ LYS 93 0.222 -17.548 2.015 552 H GLU 94 H GLU 94 3.211 -10.730 4.755 553 HA GLU 94 HA GLU 94 2.029 -11.077 7.214 554 HB2 GLU 94 2HB GLU 94 4.433 -9.758 6.017 555 HB3 GLU 94 3HB GLU 94 4.128 -9.589 7.691 556 HG2 GLU 94 2HG GLU 94 5.588 -11.335 7.641 557 HG3 GLU 94 3HG GLU 94 4.023 -12.051 7.968 558 H MET 95 H MET 95 -0.004 -9.512 6.063 559 HA MET 95 HA MET 95 0.416 -6.730 6.649 560 HB2 MET 95 2HB MET 95 -2.059 -8.210 5.756 561 HB3 MET 95 3HB MET 95 -2.016 -6.466 6.049 562 HG2 MET 95 2HG MET 95 -1.376 -6.288 3.927 563 HG3 MET 95 3HG MET 95 0.223 -6.653 4.547 564 HE1 MET 95 3HE MET 95 -0.477 -6.731 1.665 565 HE2 MET 95 1HE MET 95 1.098 -7.307 2.254 566 HE3 MET 95 2HE MET 95 0.182 -8.268 1.077 567 H HIS 96 H HIS 96 0.334 -8.771 9.006 568 HA HIS 96 HA HIS 96 -1.107 -7.118 10.941 569 HB2 HIS 96 2HB HIS 96 0.258 -8.212 12.616 570 HB3 HIS 96 3HB HIS 96 -0.427 -9.405 11.521 571 HD1 HIS 96 1HD HIS 96 1.317 -10.781 10.007 572 HD2 HIS 96 2HD HIS 96 2.970 -7.902 12.598 573 HE1 HIS 96 1HE HIS 96 3.828 -11.258 10.121 574 H GLY 97 H GLY 97 1.892 -6.931 9.207 575 HA2 GLY 97 2HA GLY 97 3.140 -4.849 10.801 576 HA3 GLY 97 3HA GLY 97 3.597 -5.388 9.194 577 H LEU 98 H LEU 98 0.744 -4.682 8.276 578 HA LEU 98 HA LEU 98 1.798 -2.080 7.256 579 HB2 LEU 98 2HB LEU 98 -0.443 -3.847 6.191 580 HB3 LEU 98 3HB LEU 98 0.243 -2.403 5.437 581 HG LEU 98 HG LEU 98 1.616 -5.092 5.906 582 HD11 LEU 98 1HD1 LEU 98 1.573 -3.286 3.489 583 HD12 LEU 98 2HD1 LEU 98 0.399 -4.607 3.703 584 HD13 LEU 98 3HD1 LEU 98 2.168 -4.954 3.593 585 HD21 LEU 98 3HD2 LEU 98 3.316 -3.509 6.513 586 HD22 LEU 98 1HD2 LEU 98 2.756 -2.400 5.202 587 HD23 LEU 98 2HD2 LEU 98 3.595 -3.941 4.829 588 H ARG 99 H ARG 99 0.989 -0.235 7.436 589 HA ARG 99 HA ARG 99 -1.689 0.258 8.725 590 HB2 ARG 99 2HB ARG 99 0.345 1.007 10.110 591 HB3 ARG 99 3HB ARG 99 0.567 2.263 8.874 592 HG2 ARG 99 2HG ARG 99 -1.899 2.878 9.216 593 HG3 ARG 99 3HG ARG 99 -1.937 1.669 10.495 594 HD2 ARG 99 2HD ARG 99 -0.057 2.962 11.628 595 HD3 ARG 99 3HD ARG 99 -0.299 4.179 10.395 596 HE ARG 99 HE ARG 99 -2.673 4.420 11.242 597 HH11 ARG 99 1HH1 ARG 99 -0.541 2.759 13.495 598 HH12 ARG 99 2HH1 ARG 99 -1.294 3.512 14.882 599 HH21 ARG 99 2HH2 ARG 99 -3.275 4.534 14.602 600 HH22 ARG 99 1HH2 ARG 99 -3.642 5.250 13.057 601 H ILE 100 H ILE 100 -2.997 0.614 7.062 602 HA ILE 100 HA ILE 100 -1.887 2.054 4.677 603 HB ILE 100 HB ILE 100 -4.189 0.131 4.359 604 HG12 ILE 100 2HG1 ILE 100 -1.315 -0.837 4.563 605 HG13 ILE 100 3HG1 ILE 100 -2.721 -1.330 5.533 606 HG21 ILE 100 1HG2 ILE 100 -3.458 -0.001 2.123 607 HG22 ILE 100 2HG2 ILE 100 -3.254 1.693 2.524 608 HG23 ILE 100 3HG2 ILE 100 -1.841 0.598 2.512 609 HD11 ILE 100 3HD1 ILE 100 -3.790 -2.149 3.385 610 HD12 ILE 100 1HD1 ILE 100 -2.200 -1.991 2.613 611 HD13 ILE 100 2HD1 ILE 100 -2.404 -3.094 3.982 612 H PHE 101 H PHE 101 -2.706 3.458 3.760 613 HA PHE 101 HA PHE 101 -5.128 4.809 4.836 614 HB2 PHE 101 2HB PHE 101 -2.346 5.704 4.012 615 HB3 PHE 101 3HB PHE 101 -3.634 6.776 4.356 616 HD1 PHE 101 1HD PHE 101 -4.295 7.260 6.693 617 HD2 PHE 101 2HD PHE 101 -1.177 4.444 5.743 618 HE1 PHE 101 1HE PHE 101 -3.442 7.408 9.025 619 HE2 PHE 101 2HE PHE 101 -0.355 4.556 8.059 620 HZ PHE 101 HZ PHE 101 -1.446 6.099 9.705 621 H THR 102 H THR 102 -6.561 5.110 3.280 622 HA THR 102 HA THR 102 -5.860 5.465 0.371 623 HB THR 102 HB THR 102 -7.921 4.041 -0.057 624 HG1 THR 102 1HG THR 102 -8.973 3.623 1.650 625 HG21 THR 102 1HG2 THR 102 -6.838 1.840 0.231 626 HG22 THR 102 2HG2 THR 102 -5.612 2.569 1.289 627 HG23 THR 102 3HG2 THR 102 -5.714 3.037 -0.426 628 H SER 103 H SER 103 -7.346 6.582 -0.779 629 HA SER 103 HA SER 103 -9.829 7.492 0.353 630 HB2 SER 103 2HB SER 103 -8.935 9.982 -0.151 631 HB3 SER 103 3HB SER 103 -8.882 9.249 1.449 632 HG SER 103 HG SER 103 -6.906 10.214 -0.024 633 H VAL 104 H VAL 104 -10.829 9.226 -1.252 634 HA VAL 104 HA VAL 104 -9.932 8.687 -4.031 635 HB VAL 104 HB VAL 104 -11.500 6.947 -3.513 636 HG11 VAL 104 1HG1 VAL 104 -13.763 7.180 -3.081 637 HG12 VAL 104 2HG1 VAL 104 -12.936 8.125 -1.844 638 HG13 VAL 104 3HG1 VAL 104 -13.717 8.954 -3.212 639 HG21 VAL 104 3HG2 VAL 104 -12.885 8.878 -5.404 640 HG22 VAL 104 1HG2 VAL 104 -11.377 8.059 -5.780 641 HG23 VAL 104 2HG2 VAL 104 -12.784 7.098 -5.477 642 HA PRO 105 HA PRO 105 -11.179 12.933 -4.271 643 HB2 PRO 105 2HB PRO 105 -10.545 13.466 -6.884 644 HB3 PRO 105 3HB PRO 105 -9.392 13.322 -5.522 645 HG2 PRO 105 2HG PRO 105 -10.083 11.247 -7.639 646 HG3 PRO 105 3HG PRO 105 -8.477 11.613 -6.963 647 HD2 PRO 105 2HD PRO 105 -9.980 9.531 -6.110 648 HD3 PRO 105 3HD PRO 105 -8.775 10.349 -5.137 649 H LYS 106 H LYS 106 -13.372 12.960 -4.064 650 HA LYS 106 HA LYS 106 -15.189 12.432 -6.340 651 HB2 LYS 106 2HB LYS 106 -14.729 10.348 -4.976 652 HB3 LYS 106 3HB LYS 106 -15.412 11.176 -3.565 653 HG2 LYS 106 2HG LYS 106 -17.443 11.600 -4.947 654 HG3 LYS 106 3HG LYS 106 -16.779 10.544 -6.214 655 HD2 LYS 106 2HD LYS 106 -16.615 8.737 -4.319 656 HD3 LYS 106 3HD LYS 106 -17.716 9.795 -3.427 657 HE2 LYS 106 2HE LYS 106 -19.302 9.713 -5.382 658 HE3 LYS 106 3HE LYS 106 -18.226 8.541 -6.158 659 HZ1 LYS 106 3HZ LYS 106 -20.047 7.470 -4.977 660 HZ2 LYS 106 1HZ LYS 106 -19.589 8.114 -3.550 661 HZ3 LYS 106 2HZ LYS 106 -18.615 7.023 -4.297 662 H ARG 107 H ARG 107 -15.678 14.599 -6.470 663 HA ARG 107 HA ARG 107 -17.132 15.898 -4.207 664 HB2 ARG 107 2HB ARG 107 -16.701 18.019 -5.393 665 HB3 ARG 107 3HB ARG 107 -15.277 17.234 -4.709 666 HG2 ARG 107 2HG ARG 107 -14.428 16.626 -6.793 667 HG3 ARG 107 3HG ARG 107 -16.019 16.653 -7.560 668 HD2 ARG 107 2HD ARG 107 -14.669 18.505 -8.390 669 HD3 ARG 107 3HD ARG 107 -16.114 19.038 -7.513 670 HE ARG 107 HE ARG 107 -13.634 18.947 -5.919 671 HH11 ARG 107 1HH1 ARG 107 -15.789 20.999 -7.819 672 HH12 ARG 107 2HH1 ARG 107 -15.385 22.411 -6.847 673 HH21 ARG 107 2HH2 ARG 107 -13.623 22.371 -5.555 674 HH22 ARG 107 1HH2 ARG 107 -12.822 20.876 -5.162 Start of MODEL 8 1 H1 ALA 27 H1 ALA 27 12.967 5.428 6.195 2 H2 ALA 27 H2 ALA 27 12.507 6.311 7.498 3 H3 ALA 27 H3 ALA 27 12.989 4.759 7.697 4 HA ALA 27 HA ALA 27 14.709 6.925 6.727 5 HB1 ALA 27 1HB ALA 27 14.153 7.191 9.132 6 HB2 ALA 27 2HB ALA 27 14.727 5.530 9.426 7 HB3 ALA 27 3HB ALA 27 15.865 6.772 8.895 8 H THR 28 H THR 28 16.616 6.303 5.880 9 HA THR 28 HA THR 28 17.992 5.103 4.685 10 HB THR 28 HB THR 28 18.897 4.751 6.974 11 HG1 THR 28 1HG THR 28 20.521 3.670 6.196 12 HG21 THR 28 1HG2 THR 28 19.175 2.307 7.621 13 HG22 THR 28 2HG2 THR 28 17.787 1.943 6.578 14 HG23 THR 28 3HG2 THR 28 17.609 3.023 7.980 15 H GLN 29 H GLN 29 15.063 3.733 5.017 16 HA GLN 29 HA GLN 29 13.811 2.412 3.745 17 HB2 GLN 29 2HB GLN 29 15.597 3.653 2.001 18 HB3 GLN 29 3HB GLN 29 15.641 1.964 1.484 19 HG2 GLN 29 2HG GLN 29 13.381 1.950 0.905 20 HG3 GLN 29 3HG GLN 29 12.986 3.264 2.012 21 HE21 GLN 29 2HE2 GLN 29 12.682 5.312 -0.796 22 HE22 GLN 29 1HE2 GLN 29 11.852 4.351 0.457 23 H THR 30 H THR 30 13.289 0.278 3.093 24 HA THR 30 HA THR 30 15.369 -1.799 3.549 25 HB THR 30 HB THR 30 13.636 -3.461 3.592 26 HG1 THR 30 1HG THR 30 11.484 -2.764 3.735 27 HG21 THR 30 1HG2 THR 30 14.352 -2.546 5.739 28 HG22 THR 30 2HG2 THR 30 12.619 -2.898 5.796 29 HG23 THR 30 3HG2 THR 30 13.183 -1.231 5.605 30 H GLU 31 H GLU 31 15.260 -3.623 1.815 31 HA GLU 31 HA GLU 31 14.887 -2.672 -0.925 32 HB2 GLU 31 2HB GLU 31 15.421 -5.312 0.385 33 HB3 GLU 31 3HB GLU 31 14.972 -5.250 -1.308 34 HG2 GLU 31 2HG GLU 31 17.261 -3.602 -0.143 35 HG3 GLU 31 3HG GLU 31 17.453 -5.221 -0.787 36 H GLY 32 H GLY 32 12.817 -4.271 1.492 37 HA2 GLY 32 2HA GLY 32 10.707 -5.117 -0.235 38 HA3 GLY 32 3HA GLY 32 10.598 -4.831 1.503 39 H GLU 33 H GLU 33 11.175 -2.018 1.592 40 HA GLU 33 HA GLU 33 8.862 -0.656 1.033 41 HB2 GLU 33 2HB GLU 33 11.340 -0.112 2.100 42 HB3 GLU 33 3HB GLU 33 11.478 0.784 0.627 43 HG2 GLU 33 2HG GLU 33 9.042 1.191 2.316 44 HG3 GLU 33 3HG GLU 33 10.570 1.725 2.949 45 H LEU 34 H LEU 34 11.659 -1.066 -1.126 46 HA LEU 34 HA LEU 34 10.728 0.567 -3.280 47 HB2 LEU 34 2HB LEU 34 12.658 -1.752 -3.568 48 HB3 LEU 34 3HB LEU 34 12.634 -0.223 -4.435 49 HG LEU 34 HG LEU 34 13.461 -0.701 -1.559 50 HD11 LEU 34 1HD1 LEU 34 15.696 -0.093 -2.313 51 HD12 LEU 34 2HD1 LEU 34 15.092 0.227 -3.945 52 HD13 LEU 34 3HD1 LEU 34 15.081 -1.427 -3.301 53 HD21 LEU 34 3HD2 LEU 34 13.373 1.904 -3.128 54 HD22 LEU 34 1HD2 LEU 34 14.156 1.681 -1.546 55 HD23 LEU 34 2HD2 LEU 34 12.407 1.499 -1.695 56 H ARG 35 H ARG 35 10.873 -2.943 -2.808 57 HA ARG 35 HA ARG 35 9.667 -3.844 -5.236 58 HB2 ARG 35 2HB ARG 35 10.932 -5.293 -3.752 59 HB3 ARG 35 3HB ARG 35 9.812 -5.029 -2.427 60 HG2 ARG 35 2HG ARG 35 8.488 -6.692 -3.071 61 HG3 ARG 35 3HG ARG 35 8.271 -6.022 -4.668 62 HD2 ARG 35 2HD ARG 35 9.262 -7.977 -5.291 63 HD3 ARG 35 3HD ARG 35 10.738 -7.066 -5.063 64 HE ARG 35 HE ARG 35 9.662 -9.259 -3.394 65 HH11 ARG 35 1HH1 ARG 35 12.324 -6.949 -3.559 66 HH12 ARG 35 2HH1 ARG 35 13.043 -7.638 -2.117 67 HH21 ARG 35 2HH2 ARG 35 12.130 -9.432 -1.125 68 HH22 ARG 35 1HH2 ARG 35 10.640 -10.082 -1.783 69 H VAL 36 H VAL 36 8.199 -3.121 -2.069 70 HA VAL 36 HA VAL 36 5.532 -3.847 -2.905 71 HB VAL 36 HB VAL 36 6.600 -2.191 -0.572 72 HG11 VAL 36 1HG1 VAL 36 4.412 -1.269 -0.939 73 HG12 VAL 36 2HG1 VAL 36 3.707 -2.872 -1.222 74 HG13 VAL 36 3HG1 VAL 36 4.281 -2.408 0.399 75 HG21 VAL 36 3HG2 VAL 36 5.290 -4.942 -0.774 76 HG22 VAL 36 1HG2 VAL 36 7.015 -4.641 -0.531 77 HG23 VAL 36 2HG2 VAL 36 5.864 -4.172 0.724 78 H THR 37 H THR 37 7.337 -0.675 -2.657 79 HA THR 37 HA THR 37 5.246 0.941 -3.615 80 HB THR 37 HB THR 37 8.205 1.288 -4.011 81 HG1 THR 37 1HG THR 37 7.870 1.400 -1.931 82 HG21 THR 37 1HG2 THR 37 7.120 2.793 -5.579 83 HG22 THR 37 2HG2 THR 37 7.696 3.739 -4.205 84 HG23 THR 37 3HG2 THR 37 5.970 3.325 -4.323 85 H GLN 38 H GLN 38 7.616 -0.917 -5.510 86 HA GLN 38 HA GLN 38 6.868 0.169 -8.043 87 HB2 GLN 38 2HB GLN 38 8.049 -2.543 -7.310 88 HB3 GLN 38 3HB GLN 38 7.825 -1.971 -8.940 89 HG2 GLN 38 2HG GLN 38 9.976 -1.392 -7.063 90 HG3 GLN 38 3HG GLN 38 9.940 -1.280 -8.791 91 HE21 GLN 38 2HE2 GLN 38 9.766 2.072 -6.506 92 HE22 GLN 38 1HE2 GLN 38 9.724 0.456 -5.831 93 H ILE 39 H ILE 39 5.530 -2.712 -6.324 94 HA ILE 39 HA ILE 39 3.765 -3.266 -8.592 95 HB ILE 39 HB ILE 39 3.495 -4.395 -5.789 96 HG12 ILE 39 2HG1 ILE 39 5.088 -5.527 -8.140 97 HG13 ILE 39 3HG1 ILE 39 5.796 -4.826 -6.697 98 HG21 ILE 39 1HG2 ILE 39 1.529 -4.713 -7.174 99 HG22 ILE 39 2HG2 ILE 39 2.515 -5.216 -8.573 100 HG23 ILE 39 3HG2 ILE 39 2.370 -6.250 -7.147 101 HD11 ILE 39 3HD1 ILE 39 5.911 -7.153 -6.404 102 HD12 ILE 39 1HD1 ILE 39 4.622 -6.592 -5.318 103 HD13 ILE 39 2HD1 ILE 39 4.223 -7.407 -6.853 104 H LEU 40 H LEU 40 3.492 -1.420 -5.579 105 HA LEU 40 HA LEU 40 0.710 -0.809 -5.773 106 HB2 LEU 40 2HB LEU 40 3.102 0.674 -4.593 107 HB3 LEU 40 3HB LEU 40 1.476 1.339 -4.555 108 HG LEU 40 HG LEU 40 2.343 -1.340 -3.389 109 HD11 LEU 40 1HD1 LEU 40 3.215 0.626 -2.176 110 HD12 LEU 40 2HD1 LEU 40 2.017 -0.239 -1.205 111 HD13 LEU 40 3HD1 LEU 40 1.568 1.276 -2.024 112 HD21 LEU 40 3HD2 LEU 40 0.020 -1.584 -3.919 113 HD22 LEU 40 1HD2 LEU 40 -0.358 0.040 -3.316 114 HD23 LEU 40 2HD2 LEU 40 0.114 -1.262 -2.195 115 H LYS 41 H LYS 41 3.456 0.887 -7.367 116 HA LYS 41 HA LYS 41 1.912 2.891 -8.593 117 HB2 LYS 41 2HB LYS 41 4.363 1.608 -9.820 118 HB3 LYS 41 3HB LYS 41 3.638 3.171 -10.243 119 HG2 LYS 41 2HG LYS 41 3.865 3.341 -7.487 120 HG3 LYS 41 3HG LYS 41 5.261 2.397 -7.938 121 HD2 LYS 41 2HD LYS 41 5.973 4.224 -9.519 122 HD3 LYS 41 3HD LYS 41 4.574 5.180 -8.952 123 HE2 LYS 41 2HE LYS 41 5.421 4.790 -6.584 124 HE3 LYS 41 3HE LYS 41 6.883 4.100 -7.286 125 HZ1 LYS 41 3HZ LYS 41 7.234 6.278 -8.430 126 HZ2 LYS 41 1HZ LYS 41 7.282 6.409 -6.807 127 HZ3 LYS 41 2HZ LYS 41 5.944 6.911 -7.567 128 H GLU 42 H GLU 42 2.124 -0.535 -9.536 129 HA GLU 42 HA GLU 42 0.888 -0.191 -12.051 130 HB2 GLU 42 2HB GLU 42 1.977 -2.239 -10.286 131 HB3 GLU 42 3HB GLU 42 1.117 -2.750 -11.592 132 HG2 GLU 42 2HG GLU 42 2.672 -1.673 -13.024 133 HG3 GLU 42 3HG GLU 42 3.588 -1.020 -11.678 134 H LYS 43 H LYS 43 -0.035 -1.502 -8.827 135 HA LYS 43 HA LYS 43 -2.624 -2.187 -9.923 136 HB2 LYS 43 2HB LYS 43 -1.935 -1.956 -6.975 137 HB3 LYS 43 3HB LYS 43 -3.316 -2.733 -7.760 138 HG2 LYS 43 2HG LYS 43 -0.501 -3.730 -7.756 139 HG3 LYS 43 3HG LYS 43 -1.901 -4.436 -6.972 140 HD2 LYS 43 2HD LYS 43 -2.904 -5.139 -8.996 141 HD3 LYS 43 3HD LYS 43 -1.851 -4.107 -9.952 142 HE2 LYS 43 2HE LYS 43 0.121 -5.527 -9.019 143 HE3 LYS 43 3HE LYS 43 -1.125 -6.630 -8.425 144 HZ1 LYS 43 3HZ LYS 43 -0.492 -5.977 -11.245 145 HZ2 LYS 43 1HZ LYS 43 -1.900 -6.726 -10.830 146 HZ3 LYS 43 2HZ LYS 43 -0.467 -7.449 -10.533 147 H PHE 44 H PHE 44 -1.198 0.666 -8.582 148 HA PHE 44 HA PHE 44 -3.739 2.022 -9.087 149 HB2 PHE 44 2HB PHE 44 -1.872 2.675 -6.765 150 HB3 PHE 44 3HB PHE 44 -3.456 3.382 -7.059 151 HD1 PHE 44 1HD PHE 44 -5.525 2.038 -6.808 152 HD2 PHE 44 2HD PHE 44 -1.675 0.487 -5.653 153 HE1 PHE 44 1HE PHE 44 -6.631 0.266 -5.465 154 HE2 PHE 44 2HE PHE 44 -2.778 -1.279 -4.309 155 HZ PHE 44 HZ PHE 44 -5.255 -1.387 -4.219 156 HA PRO 45 HA PRO 45 -0.608 4.549 -11.394 157 HB2 PRO 45 2HB PRO 45 -1.503 4.045 -13.963 158 HB3 PRO 45 3HB PRO 45 -0.252 3.072 -13.133 159 HG2 PRO 45 2HG PRO 45 -3.222 2.503 -13.304 160 HG3 PRO 45 3HG PRO 45 -1.871 1.377 -13.632 161 HD2 PRO 45 2HD PRO 45 -3.027 1.254 -11.283 162 HD3 PRO 45 3HD PRO 45 -1.300 1.265 -11.306 163 H ARG 46 H ARG 46 -4.153 4.307 -11.406 164 HA ARG 46 HA ARG 46 -4.425 7.049 -12.380 165 HB2 ARG 46 2HB ARG 46 -6.327 4.969 -11.314 166 HB3 ARG 46 3HB ARG 46 -6.839 6.635 -11.539 167 HG2 ARG 46 2HG ARG 46 -7.377 5.589 -13.548 168 HG3 ARG 46 3HG ARG 46 -6.006 6.632 -13.845 169 HD2 ARG 46 2HD ARG 46 -5.828 4.645 -15.150 170 HD3 ARG 46 3HD ARG 46 -4.502 4.707 -13.994 171 HE ARG 46 HE ARG 46 -6.417 3.182 -12.693 172 HH11 ARG 46 1HH1 ARG 46 -4.790 2.862 -15.833 173 HH12 ARG 46 2HH1 ARG 46 -5.275 1.164 -15.920 174 HH21 ARG 46 2HH2 ARG 46 -6.197 0.178 -14.405 175 HH22 ARG 46 1HH2 ARG 46 -6.718 0.929 -12.898 176 H ALA 47 H ALA 47 -3.371 5.911 -9.435 177 HA ALA 47 HA ALA 47 -4.739 7.551 -7.597 178 HB1 ALA 47 1HB ALA 47 -1.915 6.448 -7.484 179 HB2 ALA 47 2HB ALA 47 -2.898 6.979 -6.107 180 HB3 ALA 47 3HB ALA 47 -3.403 5.569 -7.045 181 H THR 48 H THR 48 -4.302 9.399 -6.539 182 HA THR 48 HA THR 48 -2.580 11.397 -7.972 183 HB THR 48 HB THR 48 -3.670 13.055 -6.575 184 HG1 THR 48 1HG THR 48 -5.187 12.534 -5.218 185 HG21 THR 48 1HG2 THR 48 -5.865 13.032 -7.677 186 HG22 THR 48 2HG2 THR 48 -5.647 11.325 -8.123 187 HG23 THR 48 3HG2 THR 48 -4.589 12.570 -8.817 188 H ALA 49 H ALA 49 -3.013 9.730 -4.831 189 HA ALA 49 HA ALA 49 -0.171 10.476 -4.243 190 HB1 ALA 49 1HB ALA 49 -0.667 10.182 -1.869 191 HB2 ALA 49 2HB ALA 49 -1.716 11.431 -2.569 192 HB3 ALA 49 3HB ALA 49 -2.356 9.804 -2.239 193 H ILE 50 H ILE 50 1.259 8.858 -3.984 194 HA ILE 50 HA ILE 50 0.548 6.176 -3.119 195 HB ILE 50 HB ILE 50 2.098 5.312 -5.158 196 HG12 ILE 50 2HG1 ILE 50 0.345 7.348 -6.596 197 HG13 ILE 50 3HG1 ILE 50 2.065 7.580 -6.291 198 HG21 ILE 50 1HG2 ILE 50 -0.901 5.512 -5.431 199 HG22 ILE 50 2HG2 ILE 50 0.162 4.272 -6.109 200 HG23 ILE 50 3HG2 ILE 50 -0.056 4.371 -4.360 201 HD11 ILE 50 3HD1 ILE 50 2.536 5.465 -7.568 202 HD12 ILE 50 1HD1 ILE 50 0.809 5.397 -8.004 203 HD13 ILE 50 2HD1 ILE 50 1.807 6.760 -8.535 204 H LYS 51 H LYS 51 1.874 6.157 -1.468 205 HA LYS 51 HA LYS 51 4.798 6.138 -1.910 206 HB2 LYS 51 2HB LYS 51 5.231 7.688 -0.134 207 HB3 LYS 51 3HB LYS 51 4.381 8.434 -1.468 208 HG2 LYS 51 2HG LYS 51 2.255 7.780 0.170 209 HG3 LYS 51 3HG LYS 51 3.538 7.942 1.374 210 HD2 LYS 51 2HD LYS 51 2.494 10.089 1.166 211 HD3 LYS 51 3HD LYS 51 4.061 10.205 0.315 212 HE2 LYS 51 2HE LYS 51 2.965 9.835 -1.832 213 HE3 LYS 51 3HE LYS 51 1.403 9.562 -1.048 214 HZ1 LYS 51 3HZ LYS 51 2.881 12.130 -0.886 215 HZ2 LYS 51 1HZ LYS 51 1.327 11.824 -0.400 216 HZ3 LYS 51 2HZ LYS 51 1.727 11.842 -1.994 217 H VAL 52 H VAL 52 6.026 5.254 -0.184 218 HA VAL 52 HA VAL 52 4.565 3.675 1.863 219 HB VAL 52 HB VAL 52 6.902 2.609 0.248 220 HG11 VAL 52 1HG1 VAL 52 6.193 0.405 1.141 221 HG12 VAL 52 2HG1 VAL 52 6.726 1.513 2.396 222 HG13 VAL 52 3HG1 VAL 52 4.994 1.231 2.160 223 HG21 VAL 52 3HG2 VAL 52 5.339 1.109 -0.913 224 HG22 VAL 52 1HG2 VAL 52 3.955 1.952 -0.152 225 HG23 VAL 52 2HG2 VAL 52 5.025 2.774 -1.316 226 H THR 53 H THR 53 5.657 3.393 3.876 227 HA THR 53 HA THR 53 8.548 4.235 4.035 228 HB THR 53 HB THR 53 6.287 4.978 5.964 229 HG1 THR 53 1HG THR 53 7.283 6.206 3.781 230 HG21 THR 53 1HG2 THR 53 9.228 5.600 6.080 231 HG22 THR 53 2HG2 THR 53 8.185 4.759 7.270 232 HG23 THR 53 3HG2 THR 53 7.977 6.491 6.996 233 H ASP 54 H ASP 54 9.780 2.782 4.933 234 HA ASP 54 HA ASP 54 8.649 0.431 6.340 235 HB2 ASP 54 2HB ASP 54 10.789 0.111 5.110 236 HB3 ASP 54 3HB ASP 54 11.421 1.570 5.720 237 H ILE 55 H ILE 55 8.401 0.145 8.352 238 HA ILE 55 HA ILE 55 9.420 2.086 10.352 239 HB ILE 55 HB ILE 55 7.227 2.191 11.463 240 HG12 ILE 55 2HG1 ILE 55 6.276 0.510 9.106 241 HG13 ILE 55 3HG1 ILE 55 6.070 0.277 10.783 242 HG21 ILE 55 1HG2 ILE 55 7.023 3.227 8.618 243 HG22 ILE 55 2HG2 ILE 55 6.347 3.932 10.095 244 HG23 ILE 55 3HG2 ILE 55 8.091 3.936 9.855 245 HD11 ILE 55 3HD1 ILE 55 4.756 2.453 9.079 246 HD12 ILE 55 1HD1 ILE 55 3.967 1.003 9.751 247 HD13 ILE 55 2HD1 ILE 55 4.536 2.296 10.834 248 H SER 56 H SER 56 10.033 -0.733 9.456 249 HA SER 56 HA SER 56 10.090 -2.024 12.152 250 HB2 SER 56 2HB SER 56 8.537 -3.251 10.962 251 HB3 SER 56 3HB SER 56 9.511 -3.237 9.498 252 HG SER 56 HG SER 56 10.225 -4.519 11.972 253 H GLY 57 H GLY 57 12.087 -0.901 12.546 254 HA2 GLY 57 2HA GLY 57 14.370 -1.171 10.804 255 HA3 GLY 57 3HA GLY 57 14.365 -0.576 12.452 256 H GLY 58 H GLY 58 13.025 -3.647 12.181 257 HA2 GLY 58 2HA GLY 58 15.519 -5.063 13.073 258 HA3 GLY 58 3HA GLY 58 13.995 -5.194 13.954 259 H CYS 59 H CYS 59 12.686 -5.131 11.068 260 HA CYS 59 HA CYS 59 13.558 -7.716 9.986 261 HB2 CYS 59 2HB CYS 59 11.856 -8.109 11.888 262 HB3 CYS 59 3HB CYS 59 10.647 -7.380 10.830 263 HG CYS 59 HG CYS 59 10.582 -10.092 10.882 264 H GLY 60 H GLY 60 11.987 -4.631 9.557 265 HA2 GLY 60 2HA GLY 60 10.858 -3.611 7.942 266 HA3 GLY 60 3HA GLY 60 11.655 -4.645 6.723 267 H ALA 61 H ALA 61 9.579 -5.603 9.420 268 HA ALA 61 HA ALA 61 7.713 -7.007 7.594 269 HB1 ALA 61 1HB ALA 61 8.020 -7.104 10.623 270 HB2 ALA 61 2HB ALA 61 6.980 -8.146 9.629 271 HB3 ALA 61 3HB ALA 61 8.735 -8.246 9.455 272 H MET 62 H MET 62 7.840 -3.910 8.751 273 HA MET 62 HA MET 62 4.901 -3.569 8.573 274 HB2 MET 62 2HB MET 62 6.793 -2.136 10.481 275 HB3 MET 62 3HB MET 62 5.128 -1.684 10.177 276 HG2 MET 62 2HG MET 62 4.383 -2.961 11.663 277 HG3 MET 62 3HG MET 62 5.084 -4.430 10.935 278 HE1 MET 62 3HE MET 62 5.224 -1.736 13.582 279 HE2 MET 62 1HE MET 62 6.905 -1.783 14.198 280 HE3 MET 62 2HE MET 62 6.569 -1.259 12.531 281 H TYR 63 H TYR 63 4.206 -1.907 7.396 282 HA TYR 63 HA TYR 63 6.069 0.267 6.721 283 HB2 TYR 63 2HB TYR 63 4.487 -1.313 4.721 284 HB3 TYR 63 3HB TYR 63 5.154 0.156 4.357 285 HD1 TYR 63 HD1 TYR 63 7.796 0.201 4.041 286 HD2 TYR 63 HD2 TYR 63 5.652 -3.391 5.080 287 HE1 TYR 63 HE1 TYR 63 9.817 -1.154 3.654 288 HE2 TYR 63 HE2 TYR 63 7.577 -4.756 4.521 289 HH TYR 63 HH TYR 63 9.855 -4.730 3.961 290 H GLU 64 H GLU 64 5.163 2.139 6.339 291 HA GLU 64 HA GLU 64 2.280 2.674 6.755 292 HB2 GLU 64 2HB GLU 64 4.453 4.141 7.549 293 HB3 GLU 64 3HB GLU 64 4.234 4.810 5.930 294 HG2 GLU 64 2HG GLU 64 1.814 5.197 6.511 295 HG3 GLU 64 3HG GLU 64 2.193 4.599 8.115 296 H ILE 65 H ILE 65 0.919 2.995 4.976 297 HA ILE 65 HA ILE 65 2.167 3.401 2.282 298 HB ILE 65 HB ILE 65 0.101 1.303 2.998 299 HG12 ILE 65 2HG1 ILE 65 2.819 0.948 1.676 300 HG13 ILE 65 3HG1 ILE 65 2.520 0.691 3.393 301 HG21 ILE 65 1HG2 ILE 65 -0.539 2.369 0.869 302 HG22 ILE 65 2HG2 ILE 65 1.126 2.222 0.262 303 HG23 ILE 65 3HG2 ILE 65 0.115 0.786 0.513 304 HD11 ILE 65 3HD1 ILE 65 2.535 -1.435 2.324 305 HD12 ILE 65 1HD1 ILE 65 0.868 -1.089 2.835 306 HD13 ILE 65 2HD1 ILE 65 1.339 -0.942 1.123 307 H LYS 66 H LYS 66 1.264 5.088 1.287 308 HA LYS 66 HA LYS 66 -1.488 5.984 2.095 309 HB2 LYS 66 2HB LYS 66 1.109 7.522 2.103 310 HB3 LYS 66 3HB LYS 66 -0.406 8.373 1.758 311 HG2 LYS 66 2HG LYS 66 -1.334 7.850 3.849 312 HG3 LYS 66 3HG LYS 66 -0.166 6.552 4.168 313 HD2 LYS 66 2HD LYS 66 1.606 8.189 4.533 314 HD3 LYS 66 3HD LYS 66 0.470 9.525 4.203 315 HE2 LYS 66 2HE LYS 66 -0.918 8.918 6.105 316 HE3 LYS 66 3HE LYS 66 -0.055 7.394 6.325 317 HZ1 LYS 66 3HZ LYS 66 1.139 10.072 6.750 318 HZ2 LYS 66 1HZ LYS 66 1.915 8.625 6.954 319 HZ3 LYS 66 2HZ LYS 66 0.676 9.044 7.939 320 H ILE 67 H ILE 67 -2.796 5.753 0.549 321 HA ILE 67 HA ILE 67 -1.965 6.288 -2.209 322 HB ILE 67 HB ILE 67 -4.061 4.278 -1.464 323 HG12 ILE 67 2HG1 ILE 67 -1.066 3.950 -1.513 324 HG13 ILE 67 3HG1 ILE 67 -2.279 3.272 -0.506 325 HG21 ILE 67 1HG2 ILE 67 -2.514 4.844 -4.016 326 HG22 ILE 67 2HG2 ILE 67 -3.670 3.512 -3.808 327 HG23 ILE 67 3HG2 ILE 67 -4.233 5.158 -3.743 328 HD11 ILE 67 3HD1 ILE 67 -1.157 1.629 -1.907 329 HD12 ILE 67 1HD1 ILE 67 -2.875 1.717 -2.401 330 HD13 ILE 67 2HD1 ILE 67 -1.598 2.483 -3.379 331 H GLU 68 H GLU 68 -3.664 7.298 -3.534 332 HA GLU 68 HA GLU 68 -6.387 7.673 -2.483 333 HB2 GLU 68 2HB GLU 68 -5.136 9.645 -1.606 334 HB3 GLU 68 3HB GLU 68 -4.544 9.951 -3.130 335 HG2 GLU 68 2HG GLU 68 -6.703 10.735 -3.957 336 HG3 GLU 68 3HG GLU 68 -7.546 9.948 -2.637 337 H SER 69 H SER 69 -7.732 7.297 -4.279 338 HA SER 69 HA SER 69 -6.817 7.976 -7.005 339 HB2 SER 69 2HB SER 69 -5.717 5.709 -6.408 340 HB3 SER 69 3HB SER 69 -7.332 5.072 -6.277 341 HG SER 69 HG SER 69 -6.856 4.713 -8.398 342 H GLU 70 H GLU 70 -8.317 7.819 -8.550 343 HA GLU 70 HA GLU 70 -10.900 8.566 -7.792 344 HB2 GLU 70 2HB GLU 70 -9.387 8.795 -9.993 345 HB3 GLU 70 3HB GLU 70 -10.404 7.478 -10.555 346 HG2 GLU 70 2HG GLU 70 -11.384 10.096 -9.345 347 HG3 GLU 70 3HG GLU 70 -11.132 9.856 -11.078 348 H GLU 71 H GLU 71 -9.661 5.366 -8.535 349 HA GLU 71 HA GLU 71 -12.157 4.006 -8.894 350 HB2 GLU 71 2HB GLU 71 -10.883 2.028 -8.924 351 HB3 GLU 71 3HB GLU 71 -9.896 3.283 -9.645 352 HG2 GLU 71 2HG GLU 71 -9.086 3.471 -7.004 353 HG3 GLU 71 3HG GLU 71 -9.538 1.777 -7.078 354 H PHE 72 H PHE 72 -10.706 5.155 -5.938 355 HA PHE 72 HA PHE 72 -11.864 3.015 -4.307 356 HB2 PHE 72 2HB PHE 72 -10.225 5.483 -3.761 357 HB3 PHE 72 3HB PHE 72 -10.962 4.607 -2.464 358 HD1 PHE 72 1HD PHE 72 -7.943 5.147 -3.580 359 HD2 PHE 72 2HD PHE 72 -10.555 1.749 -3.105 360 HE1 PHE 72 1HE PHE 72 -5.980 3.662 -3.262 361 HE2 PHE 72 2HE PHE 72 -8.594 0.279 -2.815 362 HZ PHE 72 HZ PHE 72 -6.305 1.235 -2.892 363 H LYS 73 H LYS 73 -13.536 5.038 -5.921 364 HA LYS 73 HA LYS 73 -15.265 6.236 -3.887 365 HB2 LYS 73 2HB LYS 73 -16.680 6.945 -5.791 366 HB3 LYS 73 3HB LYS 73 -15.007 7.423 -6.009 367 HG2 LYS 73 2HG LYS 73 -14.680 5.359 -7.460 368 HG3 LYS 73 3HG LYS 73 -16.416 5.063 -7.340 369 HD2 LYS 73 2HD LYS 73 -16.961 7.048 -8.518 370 HD3 LYS 73 3HD LYS 73 -15.283 7.681 -8.399 371 HE2 LYS 73 2HE LYS 73 -14.493 5.675 -9.652 372 HE3 LYS 73 3HE LYS 73 -16.168 5.165 -9.855 373 HZ1 LYS 73 3HZ LYS 73 -15.432 6.295 -11.805 374 HZ2 LYS 73 1HZ LYS 73 -14.833 7.556 -10.954 375 HZ3 LYS 73 2HZ LYS 73 -16.480 7.341 -11.111 376 H GLU 74 H GLU 74 -15.157 3.300 -5.651 377 HA GLU 74 HA GLU 74 -17.987 2.608 -5.077 378 HB2 GLU 74 2HB GLU 74 -17.751 1.094 -6.998 379 HB3 GLU 74 3HB GLU 74 -17.416 2.785 -7.413 380 HG2 GLU 74 2HG GLU 74 -15.061 2.428 -7.486 381 HG3 GLU 74 3HG GLU 74 -15.179 0.830 -6.740 382 H LYS 75 H LYS 75 -16.109 2.386 -3.006 383 HA LYS 75 HA LYS 75 -15.931 -0.539 -2.416 384 HB2 LYS 75 2HB LYS 75 -13.746 1.590 -2.093 385 HB3 LYS 75 3HB LYS 75 -13.608 -0.083 -1.555 386 HG2 LYS 75 2HG LYS 75 -13.942 0.770 -4.461 387 HG3 LYS 75 3HG LYS 75 -12.405 0.490 -3.680 388 HD2 LYS 75 2HD LYS 75 -12.768 -1.834 -3.421 389 HD3 LYS 75 3HD LYS 75 -14.525 -1.697 -3.733 390 HE2 LYS 75 2HE LYS 75 -14.133 -0.976 -5.986 391 HE3 LYS 75 3HE LYS 75 -12.384 -0.932 -5.731 392 HZ1 LYS 75 3HZ LYS 75 -12.530 -3.386 -5.294 393 HZ2 LYS 75 1HZ LYS 75 -12.921 -2.968 -6.847 394 HZ3 LYS 75 2HZ LYS 75 -14.091 -3.353 -5.750 395 H ARG 76 H ARG 76 -16.257 -1.133 -0.394 396 HA ARG 76 HA ARG 76 -17.036 0.651 1.715 397 HB2 ARG 76 2HB ARG 76 -15.845 -2.052 2.228 398 HB3 ARG 76 3HB ARG 76 -17.214 -1.277 2.901 399 HG2 ARG 76 2HG ARG 76 -17.299 -2.567 0.179 400 HG3 ARG 76 3HG ARG 76 -17.864 -3.283 1.662 401 HD2 ARG 76 2HD ARG 76 -19.476 -1.389 1.951 402 HD3 ARG 76 3HD ARG 76 -18.973 -0.748 0.379 403 HE ARG 76 HE ARG 76 -19.682 -3.083 -0.514 404 HH11 ARG 76 1HH1 ARG 76 -21.534 -1.307 1.908 405 HH12 ARG 76 2HH1 ARG 76 -22.864 -2.459 1.762 406 HH21 ARG 76 2HH2 ARG 76 -22.921 -3.906 0.333 407 HH22 ARG 76 1HH2 ARG 76 -21.558 -4.249 -0.747 408 H THR 77 H THR 77 -15.736 0.683 3.823 409 HA THR 77 HA THR 77 -13.045 1.517 3.534 410 HB THR 77 HB THR 77 -14.407 0.211 5.874 411 HG1 THR 77 1HG THR 77 -14.731 2.369 6.534 412 HG21 THR 77 1HG2 THR 77 -11.932 0.312 6.245 413 HG22 THR 77 2HG2 THR 77 -12.700 1.521 7.259 414 HG23 THR 77 3HG2 THR 77 -11.906 2.014 5.748 415 H VAL 78 H VAL 78 -14.141 -1.675 4.686 416 HA VAL 78 HA VAL 78 -11.591 -2.903 4.739 417 HB VAL 78 HB VAL 78 -13.578 -3.861 5.760 418 HG11 VAL 78 1HG1 VAL 78 -15.165 -3.315 3.894 419 HG12 VAL 78 2HG1 VAL 78 -14.522 -4.705 2.996 420 HG13 VAL 78 3HG1 VAL 78 -15.329 -4.950 4.556 421 HG21 VAL 78 3HG2 VAL 78 -13.202 -6.204 5.247 422 HG22 VAL 78 1HG2 VAL 78 -12.426 -5.795 3.706 423 HG23 VAL 78 2HG2 VAL 78 -11.652 -5.345 5.244 424 H GLN 79 H GLN 79 -13.834 -2.574 1.962 425 HA GLN 79 HA GLN 79 -12.166 -4.146 0.195 426 HB2 GLN 79 2HB GLN 79 -14.385 -2.144 -0.378 427 HB3 GLN 79 3HB GLN 79 -13.443 -2.977 -1.613 428 HG2 GLN 79 2HG GLN 79 -14.217 -5.056 -0.023 429 HG3 GLN 79 3HG GLN 79 -15.651 -4.054 -0.038 430 HE21 GLN 79 2HE2 GLN 79 -15.961 -4.405 -3.698 431 HE22 GLN 79 1HE2 GLN 79 -16.496 -3.431 -2.341 432 H GLN 80 H GLN 80 -12.099 -0.655 1.014 433 HA GLN 80 HA GLN 80 -10.175 0.014 -1.050 434 HB2 GLN 80 2HB GLN 80 -10.529 1.275 1.693 435 HB3 GLN 80 3HB GLN 80 -9.534 1.905 0.373 436 HG2 GLN 80 2HG GLN 80 -11.393 2.499 -0.955 437 HG3 GLN 80 3HG GLN 80 -12.509 1.564 0.032 438 HE21 GLN 80 2HE2 GLN 80 -13.221 4.315 2.087 439 HE22 GLN 80 1HE2 GLN 80 -13.832 3.026 1.071 440 H HIS 81 H HIS 81 -9.738 -0.970 2.423 441 HA HIS 81 HA HIS 81 -6.892 -1.024 2.359 442 HB2 HIS 81 2HB HIS 81 -8.860 -2.666 4.018 443 HB3 HIS 81 3HB HIS 81 -7.134 -2.555 4.335 444 HD1 HIS 81 1HD HIS 81 -9.672 -1.447 6.230 445 HD2 HIS 81 2HD HIS 81 -6.742 0.627 4.035 446 HE1 HIS 81 1HE HIS 81 -9.526 0.881 7.246 447 H GLN 82 H GLN 82 -9.076 -3.939 1.951 448 HA GLN 82 HA GLN 82 -7.232 -5.731 1.363 449 HB2 GLN 82 2HB GLN 82 -8.920 -7.000 1.078 450 HB3 GLN 82 3HB GLN 82 -9.911 -5.672 1.505 451 HG2 GLN 82 2HG GLN 82 -10.363 -5.135 -0.828 452 HG3 GLN 82 3HG GLN 82 -9.259 -6.394 -1.391 453 HE21 GLN 82 2HE2 GLN 82 -11.323 -9.143 -0.675 454 HE22 GLN 82 1HE2 GLN 82 -9.690 -8.555 -1.012 455 H MET 83 H MET 83 -8.461 -3.405 -1.149 456 HA MET 83 HA MET 83 -7.241 -4.787 -3.295 457 HB2 MET 83 2HB MET 83 -7.631 -1.782 -3.010 458 HB3 MET 83 3HB MET 83 -7.281 -2.606 -4.516 459 HG2 MET 83 2HG MET 83 -9.617 -3.817 -3.324 460 HG3 MET 83 3HG MET 83 -9.815 -2.074 -3.339 461 HE1 MET 83 3HE MET 83 -8.355 -1.105 -6.088 462 HE2 MET 83 1HE MET 83 -9.795 -1.135 -7.120 463 HE3 MET 83 2HE MET 83 -9.923 -0.555 -5.446 464 H VAL 84 H VAL 84 -5.883 -2.502 -0.992 465 HA VAL 84 HA VAL 84 -3.267 -2.132 -2.276 466 HB VAL 84 HB VAL 84 -4.025 -1.451 0.594 467 HG11 VAL 84 1HG1 VAL 84 -2.587 0.682 -0.045 468 HG12 VAL 84 2HG1 VAL 84 -1.753 -0.884 0.257 469 HG13 VAL 84 3HG1 VAL 84 -2.051 -0.318 -1.396 470 HG21 VAL 84 3HG2 VAL 84 -4.629 0.285 -1.799 471 HG22 VAL 84 1HG2 VAL 84 -5.805 -0.532 -0.742 472 HG23 VAL 84 2HG2 VAL 84 -4.804 0.722 -0.068 473 H ASN 85 H ASN 85 -4.630 -4.170 0.240 474 HA ASN 85 HA ASN 85 -2.152 -5.417 1.138 475 HB2 ASN 85 2HB ASN 85 -5.127 -5.907 1.346 476 HB3 ASN 85 3HB ASN 85 -4.024 -7.221 1.770 477 HD21 ASN 85 2HD2 ASN 85 -4.408 -3.962 4.174 478 HD22 ASN 85 1HD2 ASN 85 -5.038 -3.974 2.547 479 H GLN 86 H GLN 86 -4.692 -6.388 -1.306 480 HA GLN 86 HA GLN 86 -3.541 -8.792 -2.015 481 HB2 GLN 86 2HB GLN 86 -5.839 -7.686 -2.290 482 HB3 GLN 86 3HB GLN 86 -5.184 -6.813 -3.667 483 HG2 GLN 86 2HG GLN 86 -6.421 -8.769 -4.277 484 HG3 GLN 86 3HG GLN 86 -4.719 -8.875 -4.779 485 HE21 GLN 86 2HE2 GLN 86 -4.681 -12.147 -3.350 486 HE22 GLN 86 1HE2 GLN 86 -4.133 -11.077 -4.652 487 H ALA 87 H ALA 87 -2.740 -5.581 -3.005 488 HA ALA 87 HA ALA 87 -1.457 -5.988 -5.509 489 HB1 ALA 87 1HB ALA 87 -0.433 -3.796 -5.040 490 HB2 ALA 87 2HB ALA 87 -2.147 -3.782 -4.565 491 HB3 ALA 87 3HB ALA 87 -0.875 -3.927 -3.330 492 H LEU 88 H LEU 88 -0.246 -6.446 -2.203 493 HA LEU 88 HA LEU 88 2.232 -7.665 -3.394 494 HB2 LEU 88 2HB LEU 88 3.631 -6.702 -1.951 495 HB3 LEU 88 3HB LEU 88 2.604 -5.415 -2.531 496 HG LEU 88 HG LEU 88 2.900 -4.828 -0.345 497 HD11 LEU 88 1HD1 LEU 88 0.920 -5.054 0.937 498 HD12 LEU 88 2HD1 LEU 88 0.472 -6.553 0.121 499 HD13 LEU 88 3HD1 LEU 88 0.421 -5.000 -0.759 500 HD21 LEU 88 3HD2 LEU 88 3.070 -6.259 1.556 501 HD22 LEU 88 1HD2 LEU 88 4.110 -6.864 0.255 502 HD23 LEU 88 2HD2 LEU 88 2.547 -7.677 0.642 503 H LYS 89 H LYS 89 -0.464 -8.530 -1.774 504 HA LYS 89 HA LYS 89 0.198 -10.287 0.266 505 HB2 LYS 89 2HB LYS 89 -2.067 -9.911 -0.370 506 HB3 LYS 89 3HB LYS 89 -1.803 -10.585 -1.989 507 HG2 LYS 89 2HG LYS 89 -1.428 -12.773 -1.180 508 HG3 LYS 89 3HG LYS 89 -1.186 -12.289 0.454 509 HD2 LYS 89 2HD LYS 89 -3.807 -12.140 -1.077 510 HD3 LYS 89 3HD LYS 89 -3.331 -13.424 0.062 511 HE2 LYS 89 2HE LYS 89 -3.170 -11.664 1.855 512 HE3 LYS 89 3HE LYS 89 -3.874 -10.502 0.712 513 HZ1 LYS 89 3HZ LYS 89 -5.867 -11.918 0.616 514 HZ2 LYS 89 1HZ LYS 89 -5.552 -11.496 2.163 515 HZ3 LYS 89 2HZ LYS 89 -5.196 -13.005 1.641 516 H GLU 90 H GLU 90 0.621 -10.857 -3.258 517 HA GLU 90 HA GLU 90 1.197 -13.595 -2.733 518 HB2 GLU 90 2HB GLU 90 1.027 -11.768 -5.123 519 HB3 GLU 90 3HB GLU 90 1.633 -13.377 -5.293 520 HG2 GLU 90 2HG GLU 90 -0.489 -14.285 -4.310 521 HG3 GLU 90 3HG GLU 90 -1.110 -12.636 -4.200 522 H GLU 91 H GLU 91 2.998 -10.699 -2.834 523 HA GLU 91 HA GLU 91 5.618 -11.764 -3.634 524 HB2 GLU 91 2HB GLU 91 4.488 -9.541 -4.324 525 HB3 GLU 91 3HB GLU 91 4.753 -9.003 -2.662 526 HG2 GLU 91 2HG GLU 91 6.288 -8.069 -4.165 527 HG3 GLU 91 3HG GLU 91 7.101 -9.023 -2.925 528 H ILE 92 H ILE 92 4.079 -10.192 -0.809 529 HA ILE 92 HA ILE 92 5.798 -11.611 1.139 530 HB ILE 92 HB ILE 92 5.464 -8.595 1.159 531 HG12 ILE 92 2HG1 ILE 92 7.897 -10.306 0.508 532 HG13 ILE 92 3HG1 ILE 92 7.011 -9.265 -0.615 533 HG21 ILE 92 1HG2 ILE 92 5.508 -9.707 3.418 534 HG22 ILE 92 2HG2 ILE 92 7.053 -10.472 2.985 535 HG23 ILE 92 3HG2 ILE 92 6.917 -8.706 3.144 536 HD11 ILE 92 3HD1 ILE 92 8.937 -8.100 -0.011 537 HD12 ILE 92 1HD1 ILE 92 7.521 -7.309 0.724 538 HD13 ILE 92 2HD1 ILE 92 8.610 -8.323 1.729 539 H LYS 93 H LYS 93 4.053 -12.699 1.991 540 HA LYS 93 HA LYS 93 1.432 -11.573 1.981 541 HB2 LYS 93 2HB LYS 93 0.791 -13.705 2.659 542 HB3 LYS 93 3HB LYS 93 2.174 -13.959 1.589 543 HG2 LYS 93 2HG LYS 93 3.490 -13.970 3.924 544 HG3 LYS 93 3HG LYS 93 1.883 -14.304 4.563 545 HD2 LYS 93 2HD LYS 93 3.517 -15.920 2.581 546 HD3 LYS 93 3HD LYS 93 3.134 -16.374 4.236 547 HE2 LYS 93 2HE LYS 93 1.004 -16.030 2.088 548 HE3 LYS 93 3HE LYS 93 1.911 -17.527 2.271 549 HZ1 LYS 93 3HZ LYS 93 0.233 -16.336 4.403 550 HZ2 LYS 93 1HZ LYS 93 1.100 -17.724 4.529 551 HZ3 LYS 93 2HZ LYS 93 -0.167 -17.608 3.457 552 H GLU 94 H GLU 94 3.720 -11.212 4.308 553 HA GLU 94 HA GLU 94 2.469 -11.559 6.742 554 HB2 GLU 94 2HB GLU 94 5.004 -10.234 5.852 555 HB3 GLU 94 3HB GLU 94 4.607 -10.739 7.465 556 HG2 GLU 94 2HG GLU 94 4.267 -13.110 6.531 557 HG3 GLU 94 3HG GLU 94 5.131 -12.522 5.105 558 H MET 95 H MET 95 0.708 -9.721 5.495 559 HA MET 95 HA MET 95 1.387 -7.043 6.095 560 HB2 MET 95 2HB MET 95 -1.226 -8.270 5.201 561 HB3 MET 95 3HB MET 95 -1.004 -6.530 5.366 562 HG2 MET 95 2HG MET 95 -0.444 -6.642 3.229 563 HG3 MET 95 3HG MET 95 1.153 -6.950 3.901 564 HE1 MET 95 3HE MET 95 -1.584 -10.043 1.866 565 HE2 MET 95 1HE MET 95 -2.106 -9.095 3.273 566 HE3 MET 95 2HE MET 95 -1.748 -8.275 1.733 567 H HIS 96 H HIS 96 0.878 -8.908 8.638 568 HA HIS 96 HA HIS 96 -0.984 -7.464 10.269 569 HB2 HIS 96 2HB HIS 96 0.035 -9.506 11.091 570 HB3 HIS 96 3HB HIS 96 1.656 -8.824 10.913 571 HD1 HIS 96 1HD HIS 96 -1.381 -8.567 13.295 572 HD2 HIS 96 2HD HIS 96 2.605 -7.267 12.845 573 HE1 HIS 96 1HE HIS 96 -0.714 -7.512 15.500 574 H GLY 97 H GLY 97 2.205 -6.679 9.194 575 HA2 GLY 97 2HA GLY 97 2.799 -4.476 10.941 576 HA3 GLY 97 3HA GLY 97 3.575 -4.887 9.405 577 H LEU 98 H LEU 98 0.629 -4.484 8.249 578 HA LEU 98 HA LEU 98 1.724 -1.968 7.122 579 HB2 LEU 98 2HB LEU 98 -0.427 -3.869 6.060 580 HB3 LEU 98 3HB LEU 98 0.189 -2.409 5.264 581 HG LEU 98 HG LEU 98 1.735 -4.944 5.961 582 HD11 LEU 98 1HD1 LEU 98 0.528 -4.706 3.717 583 HD12 LEU 98 2HD1 LEU 98 2.310 -5.007 3.686 584 HD13 LEU 98 3HD1 LEU 98 1.667 -3.380 3.378 585 HD21 LEU 98 3HD2 LEU 98 2.685 -2.222 5.125 586 HD22 LEU 98 1HD2 LEU 98 3.644 -3.693 4.786 587 HD23 LEU 98 2HD2 LEU 98 3.320 -3.255 6.463 588 H ARG 99 H ARG 99 1.021 -0.144 7.144 589 HA ARG 99 HA ARG 99 -1.360 0.651 8.809 590 HB2 ARG 99 2HB ARG 99 1.108 0.866 9.586 591 HB3 ARG 99 3HB ARG 99 1.155 2.271 8.522 592 HG2 ARG 99 2HG ARG 99 -0.850 3.206 9.667 593 HG3 ARG 99 3HG ARG 99 -0.935 1.765 10.686 594 HD2 ARG 99 2HD ARG 99 1.348 3.728 10.586 595 HD3 ARG 99 3HD ARG 99 0.090 3.597 11.848 596 HE ARG 99 HE ARG 99 1.315 1.059 11.624 597 HH11 ARG 99 1HH1 ARG 99 2.565 4.204 12.639 598 HH12 ARG 99 2HH1 ARG 99 3.445 3.440 13.960 599 HH21 ARG 99 2HH2 ARG 99 3.669 1.232 14.006 600 HH22 ARG 99 1HH2 ARG 99 2.678 0.253 12.923 601 H ILE 100 H ILE 100 -2.718 0.672 7.042 602 HA ILE 100 HA ILE 100 -1.857 2.299 4.689 603 HB ILE 100 HB ILE 100 -4.118 0.301 4.536 604 HG12 ILE 100 2HG1 ILE 100 -1.197 -0.533 4.513 605 HG13 ILE 100 3HG1 ILE 100 -2.512 -1.097 5.564 606 HG21 ILE 100 1HG2 ILE 100 -3.545 0.179 2.240 607 HG22 ILE 100 2HG2 ILE 100 -3.356 1.882 2.592 608 HG23 ILE 100 3HG2 ILE 100 -1.924 0.827 2.512 609 HD11 ILE 100 3HD1 ILE 100 -3.685 -1.947 3.485 610 HD12 ILE 100 1HD1 ILE 100 -2.154 -1.729 2.615 611 HD13 ILE 100 2HD1 ILE 100 -2.227 -2.838 3.988 612 H PHE 101 H PHE 101 -2.773 3.622 3.727 613 HA PHE 101 HA PHE 101 -5.166 5.012 4.838 614 HB2 PHE 101 2HB PHE 101 -2.419 5.887 3.920 615 HB3 PHE 101 3HB PHE 101 -3.705 6.971 4.249 616 HD1 PHE 101 1HD PHE 101 -4.193 7.690 6.555 617 HD2 PHE 101 2HD PHE 101 -1.286 4.632 5.698 618 HE1 PHE 101 1HE PHE 101 -3.294 7.885 8.859 619 HE2 PHE 101 2HE PHE 101 -0.428 4.778 8.001 620 HZ PHE 101 HZ PHE 101 -1.390 6.458 9.586 621 H THR 102 H THR 102 -6.634 5.307 3.282 622 HA THR 102 HA THR 102 -5.928 5.656 0.364 623 HB THR 102 HB THR 102 -7.977 4.228 -0.101 624 HG1 THR 102 1HG THR 102 -9.158 3.831 1.574 625 HG21 THR 102 1HG2 THR 102 -5.728 3.179 -0.260 626 HG22 THR 102 2HG2 THR 102 -6.984 2.031 0.233 627 HG23 THR 102 3HG2 THR 102 -5.853 2.678 1.441 628 H SER 103 H SER 103 -7.507 6.646 -0.814 629 HA SER 103 HA SER 103 -9.979 7.616 0.248 630 HB2 SER 103 2HB SER 103 -9.192 10.071 -0.124 631 HB3 SER 103 3HB SER 103 -8.910 9.309 1.425 632 HG SER 103 HG SER 103 -7.223 10.487 -0.162 633 H VAL 104 H VAL 104 -10.802 9.404 -1.383 634 HA VAL 104 HA VAL 104 -9.876 8.773 -4.133 635 HB VAL 104 HB VAL 104 -11.561 7.186 -3.681 636 HG11 VAL 104 1HG1 VAL 104 -13.429 9.434 -2.937 637 HG12 VAL 104 2HG1 VAL 104 -13.922 7.782 -3.332 638 HG13 VAL 104 3HG1 VAL 104 -12.879 8.053 -1.937 639 HG21 VAL 104 3HG2 VAL 104 -12.832 9.248 -5.480 640 HG22 VAL 104 1HG2 VAL 104 -11.399 8.285 -5.865 641 HG23 VAL 104 2HG2 VAL 104 -12.899 7.466 -5.571 642 HA PRO 105 HA PRO 105 -10.417 13.177 -4.352 643 HB2 PRO 105 2HB PRO 105 -9.299 13.652 -6.807 644 HB3 PRO 105 3HB PRO 105 -8.306 13.005 -5.461 645 HG2 PRO 105 2HG PRO 105 -9.676 11.420 -7.680 646 HG3 PRO 105 3HG PRO 105 -7.977 11.281 -7.157 647 HD2 PRO 105 2HD PRO 105 -9.863 9.625 -6.272 648 HD3 PRO 105 3HD PRO 105 -8.526 10.150 -5.228 649 H LYS 106 H LYS 106 -12.062 14.312 -4.609 650 HA LYS 106 HA LYS 106 -14.179 13.615 -6.560 651 HB2 LYS 106 2HB LYS 106 -13.783 13.099 -3.618 652 HB3 LYS 106 3HB LYS 106 -15.364 13.569 -4.098 653 HG2 LYS 106 2HG LYS 106 -13.848 11.241 -5.308 654 HG3 LYS 106 3HG LYS 106 -15.041 11.110 -4.031 655 HD2 LYS 106 2HD LYS 106 -16.729 11.050 -5.472 656 HD3 LYS 106 3HD LYS 106 -16.268 12.556 -6.228 657 HE2 LYS 106 2HE LYS 106 -15.055 9.836 -6.896 658 HE3 LYS 106 3HE LYS 106 -16.426 10.546 -7.754 659 HZ1 LYS 106 3HZ LYS 106 -14.335 10.919 -8.908 660 HZ2 LYS 106 1HZ LYS 106 -13.715 11.754 -7.648 661 HZ3 LYS 106 2HZ LYS 106 -14.996 12.365 -8.478 662 H ARG 107 H ARG 107 -13.112 15.862 -7.153 663 HA ARG 107 HA ARG 107 -14.390 18.154 -5.850 664 HB2 ARG 107 2HB ARG 107 -12.830 17.880 -8.452 665 HB3 ARG 107 3HB ARG 107 -13.438 19.387 -7.816 666 HG2 ARG 107 2HG ARG 107 -11.406 17.628 -6.379 667 HG3 ARG 107 3HG ARG 107 -11.031 19.047 -7.369 668 HD2 ARG 107 2HD ARG 107 -12.494 20.408 -5.852 669 HD3 ARG 107 3HD ARG 107 -12.606 19.014 -4.763 670 HE ARG 107 HE ARG 107 -9.918 19.285 -4.997 671 HH11 ARG 107 1HH1 ARG 107 -12.344 21.797 -4.316 672 HH12 ARG 107 2HH1 ARG 107 -11.154 22.758 -3.465 673 HH21 ARG 107 2HH2 ARG 107 -9.155 22.161 -3.270 674 HH22 ARG 107 1HH2 ARG 107 -8.519 20.667 -3.948 Start of MODEL 9 1 H1 ALA 27 H1 ALA 27 16.843 9.057 7.622 2 H2 ALA 27 H2 ALA 27 15.953 10.305 7.040 3 H3 ALA 27 H3 ALA 27 16.933 9.457 6.026 4 HA ALA 27 HA ALA 27 14.578 8.411 7.432 5 HB1 ALA 27 1HB ALA 27 14.941 8.774 4.425 6 HB2 ALA 27 2HB ALA 27 13.486 8.229 5.274 7 HB3 ALA 27 3HB ALA 27 14.041 9.900 5.468 8 H THR 28 H THR 28 13.957 6.204 6.753 9 HA THR 28 HA THR 28 16.365 4.528 6.124 10 HB THR 28 HB THR 28 14.327 4.110 8.281 11 HG1 THR 28 1HG THR 28 15.776 5.339 9.166 12 HG21 THR 28 1HG2 THR 28 16.661 2.347 7.417 13 HG22 THR 28 2HG2 THR 28 14.930 1.918 7.415 14 HG23 THR 28 3HG2 THR 28 15.765 2.186 8.947 15 H GLN 29 H GLN 29 16.106 2.785 4.879 16 HA GLN 29 HA GLN 29 13.448 2.251 3.604 17 HB2 GLN 29 2HB GLN 29 16.181 2.539 2.486 18 HB3 GLN 29 3HB GLN 29 15.138 1.291 1.821 19 HG2 GLN 29 2HG GLN 29 14.712 3.237 0.586 20 HG3 GLN 29 3HG GLN 29 13.302 2.903 1.518 21 HE21 GLN 29 2HE2 GLN 29 13.232 6.255 2.603 22 HE22 GLN 29 1HE2 GLN 29 12.380 4.857 1.939 23 H THR 30 H THR 30 13.157 0.051 2.894 24 HA THR 30 HA THR 30 15.265 -1.868 3.581 25 HB THR 30 HB THR 30 13.701 -3.750 3.566 26 HG1 THR 30 1HG THR 30 11.443 -3.171 3.845 27 HG21 THR 30 1HG2 THR 30 14.324 -2.840 5.756 28 HG22 THR 30 2HG2 THR 30 12.665 -3.441 5.786 29 HG23 THR 30 3HG2 THR 30 12.972 -1.706 5.686 30 H GLU 31 H GLU 31 15.187 -3.669 1.734 31 HA GLU 31 HA GLU 31 14.725 -2.420 -0.880 32 HB2 GLU 31 2HB GLU 31 15.391 -5.221 0.046 33 HB3 GLU 31 3HB GLU 31 15.126 -4.774 -1.636 34 HG2 GLU 31 2HG GLU 31 16.991 -3.159 -1.539 35 HG3 GLU 31 3HG GLU 31 17.246 -3.540 0.171 36 H GLY 32 H GLY 32 12.828 -4.255 1.404 37 HA2 GLY 32 2HA GLY 32 10.643 -5.059 -0.293 38 HA3 GLY 32 3HA GLY 32 10.583 -4.816 1.448 39 H GLU 33 H GLU 33 11.184 -2.036 1.680 40 HA GLU 33 HA GLU 33 8.936 -0.578 1.105 41 HB2 GLU 33 2HB GLU 33 11.269 -0.191 2.376 42 HB3 GLU 33 3HB GLU 33 11.702 0.685 0.928 43 HG2 GLU 33 2HG GLU 33 9.130 1.271 2.323 44 HG3 GLU 33 3HG GLU 33 10.620 1.765 3.084 45 H LEU 34 H LEU 34 11.822 -0.918 -0.987 46 HA LEU 34 HA LEU 34 10.921 0.755 -3.110 47 HB2 LEU 34 2HB LEU 34 12.819 -1.572 -3.454 48 HB3 LEU 34 3HB LEU 34 12.813 -0.018 -4.285 49 HG LEU 34 HG LEU 34 13.601 -0.598 -1.439 50 HD11 LEU 34 1HD1 LEU 34 15.253 -1.264 -3.158 51 HD12 LEU 34 2HD1 LEU 34 15.858 0.050 -2.130 52 HD13 LEU 34 3HD1 LEU 34 15.264 0.406 -3.767 53 HD21 LEU 34 3HD2 LEU 34 12.585 1.661 -1.516 54 HD22 LEU 34 1HD2 LEU 34 13.617 2.085 -2.897 55 HD23 LEU 34 2HD2 LEU 34 14.337 1.785 -1.300 56 H ARG 35 H ARG 35 11.012 -2.810 -2.787 57 HA ARG 35 HA ARG 35 9.814 -3.545 -5.270 58 HB2 ARG 35 2HB ARG 35 10.986 -5.133 -3.818 59 HB3 ARG 35 3HB ARG 35 9.834 -4.866 -2.517 60 HG2 ARG 35 2HG ARG 35 8.606 -6.554 -3.264 61 HG3 ARG 35 3HG ARG 35 8.202 -5.663 -4.704 62 HD2 ARG 35 2HD ARG 35 9.016 -7.604 -5.588 63 HD3 ARG 35 3HD ARG 35 10.338 -6.458 -5.780 64 HE ARG 35 HE ARG 35 10.252 -8.357 -3.446 65 HH11 ARG 35 1HH1 ARG 35 12.151 -7.107 -6.165 66 HH12 ARG 35 2HH1 ARG 35 13.315 -8.405 -5.998 67 HH21 ARG 35 2HH2 ARG 35 13.157 -9.870 -4.536 68 HH22 ARG 35 1HH2 ARG 35 11.781 -9.992 -3.441 69 H VAL 36 H VAL 36 8.318 -2.979 -2.094 70 HA VAL 36 HA VAL 36 5.637 -3.571 -2.919 71 HB VAL 36 HB VAL 36 6.751 -1.926 -0.603 72 HG11 VAL 36 1HG1 VAL 36 3.840 -2.501 -1.277 73 HG12 VAL 36 2HG1 VAL 36 4.411 -2.054 0.351 74 HG13 VAL 36 3HG1 VAL 36 4.599 -0.929 -0.994 75 HG21 VAL 36 3HG2 VAL 36 5.353 -4.639 -0.779 76 HG22 VAL 36 1HG2 VAL 36 7.075 -4.393 -0.516 77 HG23 VAL 36 2HG2 VAL 36 5.927 -3.861 0.717 78 H THR 37 H THR 37 7.546 -0.471 -2.679 79 HA THR 37 HA THR 37 5.490 1.193 -3.638 80 HB THR 37 HB THR 37 8.442 1.522 -4.084 81 HG1 THR 37 1HG THR 37 8.101 1.463 -1.926 82 HG21 THR 37 1HG2 THR 37 6.226 3.591 -4.154 83 HG22 THR 37 2HG2 THR 37 7.279 3.103 -5.501 84 HG23 THR 37 3HG2 THR 37 7.962 3.977 -4.135 85 H GLN 38 H GLN 38 7.846 -0.709 -5.495 86 HA GLN 38 HA GLN 38 7.231 0.372 -8.065 87 HB2 GLN 38 2HB GLN 38 8.154 -2.454 -7.340 88 HB3 GLN 38 3HB GLN 38 8.079 -1.783 -8.936 89 HG2 GLN 38 2HG GLN 38 10.119 -1.376 -6.833 90 HG3 GLN 38 3HG GLN 38 10.295 -1.515 -8.553 91 HE21 GLN 38 2HE2 GLN 38 10.053 2.178 -6.814 92 HE22 GLN 38 1HE2 GLN 38 9.895 0.671 -5.895 93 H ILE 39 H ILE 39 5.775 -2.403 -6.301 94 HA ILE 39 HA ILE 39 4.044 -3.036 -8.562 95 HB ILE 39 HB ILE 39 3.911 -4.063 -5.710 96 HG12 ILE 39 2HG1 ILE 39 5.186 -5.457 -8.094 97 HG13 ILE 39 3HG1 ILE 39 6.130 -4.463 -6.998 98 HG21 ILE 39 1HG2 ILE 39 2.718 -5.009 -8.372 99 HG22 ILE 39 2HG2 ILE 39 2.741 -6.006 -6.914 100 HG23 ILE 39 3HG2 ILE 39 1.837 -4.499 -6.911 101 HD11 ILE 39 3HD1 ILE 39 4.559 -6.912 -6.142 102 HD12 ILE 39 1HD1 ILE 39 6.311 -6.768 -6.366 103 HD13 ILE 39 2HD1 ILE 39 5.495 -5.836 -5.087 104 H LEU 40 H LEU 40 3.742 -1.061 -5.643 105 HA LEU 40 HA LEU 40 0.938 -0.512 -5.861 106 HB2 LEU 40 2HB LEU 40 3.324 1.081 -4.782 107 HB3 LEU 40 3HB LEU 40 1.689 1.715 -4.816 108 HG LEU 40 HG LEU 40 2.741 -0.729 -3.338 109 HD11 LEU 40 1HD1 LEU 40 1.413 1.818 -2.334 110 HD12 LEU 40 2HD1 LEU 40 3.158 1.509 -2.365 111 HD13 LEU 40 3HD1 LEU 40 2.111 0.514 -1.340 112 HD21 LEU 40 3HD2 LEU 40 -0.146 0.068 -3.688 113 HD22 LEU 40 1HD2 LEU 40 0.430 -0.894 -2.301 114 HD23 LEU 40 2HD2 LEU 40 0.614 -1.516 -3.937 115 H LYS 41 H LYS 41 3.670 0.978 -7.591 116 HA LYS 41 HA LYS 41 2.118 2.886 -9.024 117 HB2 LYS 41 2HB LYS 41 4.632 1.627 -10.120 118 HB3 LYS 41 3HB LYS 41 3.904 3.193 -10.536 119 HG2 LYS 41 2HG LYS 41 4.094 3.452 -7.840 120 HG3 LYS 41 3HG LYS 41 5.400 2.333 -8.146 121 HD2 LYS 41 2HD LYS 41 6.448 3.946 -9.723 122 HD3 LYS 41 3HD LYS 41 5.123 5.090 -9.381 123 HE2 LYS 41 2HE LYS 41 5.697 4.875 -6.916 124 HE3 LYS 41 3HE LYS 41 7.119 3.931 -7.383 125 HZ1 LYS 41 3HZ LYS 41 7.662 6.260 -7.030 126 HZ2 LYS 41 1HZ LYS 41 6.591 6.728 -8.199 127 HZ3 LYS 41 2HZ LYS 41 7.946 5.838 -8.580 128 H GLU 42 H GLU 42 2.389 -0.580 -9.578 129 HA GLU 42 HA GLU 42 1.350 -0.515 -12.235 130 HB2 GLU 42 2HB GLU 42 2.446 -2.327 -10.234 131 HB3 GLU 42 3HB GLU 42 1.747 -2.986 -11.558 132 HG2 GLU 42 2HG GLU 42 3.379 -1.807 -12.923 133 HG3 GLU 42 3HG GLU 42 4.141 -1.105 -11.508 134 H LYS 43 H LYS 43 0.301 -1.619 -8.969 135 HA LYS 43 HA LYS 43 -2.178 -2.493 -10.154 136 HB2 LYS 43 2HB LYS 43 -1.687 -2.005 -7.184 137 HB3 LYS 43 3HB LYS 43 -3.008 -2.868 -7.968 138 HG2 LYS 43 2HG LYS 43 -0.161 -3.796 -7.796 139 HG3 LYS 43 3HG LYS 43 -1.557 -4.398 -6.946 140 HD2 LYS 43 2HD LYS 43 -2.526 -5.404 -8.831 141 HD3 LYS 43 3HD LYS 43 -1.538 -4.469 -9.930 142 HE2 LYS 43 2HE LYS 43 -0.724 -6.714 -9.936 143 HE3 LYS 43 3HE LYS 43 0.505 -5.692 -9.203 144 HZ1 LYS 43 3HZ LYS 43 -0.059 -7.889 -8.089 145 HZ2 LYS 43 1HZ LYS 43 -1.452 -7.207 -7.569 146 HZ3 LYS 43 2HZ LYS 43 0.012 -6.605 -7.075 147 H PHE 44 H PHE 44 -0.904 0.463 -8.792 148 HA PHE 44 HA PHE 44 -3.434 1.766 -9.489 149 HB2 PHE 44 2HB PHE 44 -1.774 2.507 -7.031 150 HB3 PHE 44 3HB PHE 44 -3.363 3.130 -7.443 151 HD1 PHE 44 1HD PHE 44 -5.384 1.714 -7.237 152 HD2 PHE 44 2HD PHE 44 -1.536 0.404 -5.805 153 HE1 PHE 44 1HE PHE 44 -6.480 -0.040 -5.860 154 HE2 PHE 44 2HE PHE 44 -2.625 -1.353 -4.450 155 HZ PHE 44 HZ PHE 44 -5.103 -1.573 -4.479 156 HA PRO 45 HA PRO 45 -0.169 4.366 -11.514 157 HB2 PRO 45 2HB PRO 45 -1.123 4.007 -14.112 158 HB3 PRO 45 3HB PRO 45 0.230 3.116 -13.368 159 HG2 PRO 45 2HG PRO 45 -2.664 2.273 -13.620 160 HG3 PRO 45 3HG PRO 45 -1.198 1.278 -13.879 161 HD2 PRO 45 2HD PRO 45 -2.550 1.052 -11.620 162 HD3 PRO 45 3HD PRO 45 -0.830 1.056 -11.539 163 H ARG 46 H ARG 46 -3.701 4.042 -11.701 164 HA ARG 46 HA ARG 46 -4.039 6.711 -12.739 165 HB2 ARG 46 2HB ARG 46 -6.026 4.864 -11.351 166 HB3 ARG 46 3HB ARG 46 -6.453 6.331 -12.185 167 HG2 ARG 46 2HG ARG 46 -5.126 3.965 -13.568 168 HG3 ARG 46 3HG ARG 46 -6.864 4.262 -13.493 169 HD2 ARG 46 2HD ARG 46 -6.587 6.429 -14.605 170 HD3 ARG 46 3HD ARG 46 -4.835 6.159 -14.729 171 HE ARG 46 HE ARG 46 -5.768 3.957 -15.973 172 HH11 ARG 46 1HH1 ARG 46 -6.452 7.385 -16.527 173 HH12 ARG 46 2HH1 ARG 46 -6.659 7.115 -18.247 174 HH21 ARG 46 2HH2 ARG 46 -6.560 5.121 -19.112 175 HH22 ARG 46 1HH2 ARG 46 -6.377 3.719 -18.096 176 H ALA 47 H ALA 47 -3.142 5.704 -9.650 177 HA ALA 47 HA ALA 47 -4.690 7.160 -7.921 178 HB1 ALA 47 1HB ALA 47 -3.113 5.431 -7.261 179 HB2 ALA 47 2HB ALA 47 -1.731 6.437 -7.764 180 HB3 ALA 47 3HB ALA 47 -2.728 6.912 -6.381 181 H THR 48 H THR 48 -4.509 9.025 -6.733 182 HA THR 48 HA THR 48 -2.829 11.292 -7.723 183 HB THR 48 HB THR 48 -4.362 12.740 -6.494 184 HG1 THR 48 1HG THR 48 -5.686 11.749 -5.169 185 HG21 THR 48 1HG2 THR 48 -6.209 12.627 -8.101 186 HG22 THR 48 2HG2 THR 48 -5.718 10.995 -8.589 187 HG23 THR 48 3HG2 THR 48 -4.656 12.382 -8.921 188 H ALA 49 H ALA 49 -3.025 9.008 -5.082 189 HA ALA 49 HA ALA 49 -0.446 10.252 -4.398 190 HB1 ALA 49 1HB ALA 49 -0.758 9.908 -1.978 191 HB2 ALA 49 2HB ALA 49 -1.963 11.044 -2.605 192 HB3 ALA 49 3HB ALA 49 -2.424 9.365 -2.251 193 H ILE 50 H ILE 50 1.176 8.756 -4.043 194 HA ILE 50 HA ILE 50 0.670 6.050 -3.096 195 HB ILE 50 HB ILE 50 2.320 5.185 -4.985 196 HG12 ILE 50 2HG1 ILE 50 0.740 7.181 -6.653 197 HG13 ILE 50 3HG1 ILE 50 2.399 7.462 -6.115 198 HG21 ILE 50 1HG2 ILE 50 -0.636 5.374 -5.600 199 HG22 ILE 50 2HG2 ILE 50 0.503 4.137 -6.142 200 HG23 ILE 50 3HG2 ILE 50 0.096 4.253 -4.428 201 HD11 ILE 50 3HD1 ILE 50 3.153 5.442 -7.302 202 HD12 ILE 50 1HD1 ILE 50 1.499 5.189 -7.924 203 HD13 ILE 50 2HD1 ILE 50 2.415 6.635 -8.381 204 H LYS 51 H LYS 51 2.011 5.920 -1.466 205 HA LYS 51 HA LYS 51 4.908 6.168 -1.827 206 HB2 LYS 51 2HB LYS 51 5.147 7.800 0.004 207 HB3 LYS 51 3HB LYS 51 4.460 8.439 -1.474 208 HG2 LYS 51 2HG LYS 51 2.124 7.969 -0.200 209 HG3 LYS 51 3HG LYS 51 3.174 7.988 1.216 210 HD2 LYS 51 2HD LYS 51 2.399 10.218 0.957 211 HD3 LYS 51 3HD LYS 51 4.053 10.231 0.314 212 HE2 LYS 51 2HE LYS 51 3.066 9.916 -2.011 213 HE3 LYS 51 3HE LYS 51 1.457 10.040 -1.298 214 HZ1 LYS 51 3HZ LYS 51 3.554 12.132 -1.248 215 HZ2 LYS 51 1HZ LYS 51 2.085 12.287 -0.513 216 HZ3 LYS 51 2HZ LYS 51 2.206 12.192 -2.159 217 H VAL 52 H VAL 52 6.141 5.329 -0.098 218 HA VAL 52 HA VAL 52 4.725 3.619 1.897 219 HB VAL 52 HB VAL 52 7.090 2.697 0.227 220 HG11 VAL 52 1HG1 VAL 52 6.898 1.534 2.367 221 HG12 VAL 52 2HG1 VAL 52 5.215 1.134 2.024 222 HG13 VAL 52 3HG1 VAL 52 6.517 0.453 1.030 223 HG21 VAL 52 3HG2 VAL 52 5.596 1.209 -1.021 224 HG22 VAL 52 1HG2 VAL 52 4.176 1.945 -0.219 225 HG23 VAL 52 2HG2 VAL 52 5.207 2.875 -1.342 226 H THR 53 H THR 53 5.713 3.453 3.849 227 HA THR 53 HA THR 53 8.534 4.372 4.214 228 HB THR 53 HB THR 53 6.165 4.899 6.079 229 HG1 THR 53 1HG THR 53 7.703 6.767 4.591 230 HG21 THR 53 1HG2 THR 53 8.224 4.703 7.367 231 HG22 THR 53 2HG2 THR 53 7.751 6.403 7.277 232 HG23 THR 53 3HG2 THR 53 9.073 5.794 6.252 233 H ASP 54 H ASP 54 9.793 2.926 5.114 234 HA ASP 54 HA ASP 54 8.704 0.458 6.348 235 HB2 ASP 54 2HB ASP 54 10.767 0.212 5.028 236 HB3 ASP 54 3HB ASP 54 11.505 1.590 5.710 237 H ILE 55 H ILE 55 8.488 -0.014 8.282 238 HA ILE 55 HA ILE 55 9.570 1.622 10.494 239 HB ILE 55 HB ILE 55 7.389 1.647 11.626 240 HG12 ILE 55 2HG1 ILE 55 6.405 0.225 9.130 241 HG13 ILE 55 3HG1 ILE 55 6.135 -0.081 10.775 242 HG21 ILE 55 1HG2 ILE 55 8.277 3.555 10.236 243 HG22 ILE 55 2HG2 ILE 55 7.203 3.018 8.921 244 HG23 ILE 55 3HG2 ILE 55 6.529 3.553 10.470 245 HD11 ILE 55 3HD1 ILE 55 4.940 2.228 9.164 246 HD12 ILE 55 1HD1 ILE 55 4.086 0.776 9.688 247 HD13 ILE 55 2HD1 ILE 55 4.628 1.965 10.893 248 H SER 56 H SER 56 10.267 -0.963 9.245 249 HA SER 56 HA SER 56 10.374 -2.579 11.722 250 HB2 SER 56 2HB SER 56 8.651 -3.562 10.452 251 HB3 SER 56 3HB SER 56 9.646 -3.612 9.019 252 HG SER 56 HG SER 56 10.532 -4.850 11.418 253 H GLY 57 H GLY 57 12.425 -1.203 11.725 254 HA2 GLY 57 2HA GLY 57 14.546 -1.510 9.997 255 HA3 GLY 57 3HA GLY 57 14.711 -1.283 11.734 256 H GLY 58 H GLY 58 13.437 -4.054 12.179 257 HA2 GLY 58 2HA GLY 58 16.006 -5.507 12.182 258 HA3 GLY 58 3HA GLY 58 14.531 -5.940 13.033 259 H CYS 59 H CYS 59 13.189 -5.558 10.235 260 HA CYS 59 HA CYS 59 13.756 -8.244 9.033 261 HB2 CYS 59 2HB CYS 59 11.440 -7.394 10.804 262 HB3 CYS 59 3HB CYS 59 11.173 -8.610 9.538 263 HG CYS 59 HG CYS 59 11.431 -9.759 11.851 264 H GLY 60 H GLY 60 11.964 -5.165 8.937 265 HA2 GLY 60 2HA GLY 60 10.720 -4.133 7.428 266 HA3 GLY 60 3HA GLY 60 11.392 -5.171 6.134 267 H ALA 61 H ALA 61 9.410 -5.910 9.019 268 HA ALA 61 HA ALA 61 7.404 -7.380 7.385 269 HB1 ALA 61 1HB ALA 61 8.488 -8.604 9.226 270 HB2 ALA 61 2HB ALA 61 7.948 -7.361 10.383 271 HB3 ALA 61 3HB ALA 61 6.758 -8.377 9.556 272 H MET 62 H MET 62 7.705 -4.257 8.485 273 HA MET 62 HA MET 62 4.773 -3.811 8.508 274 HB2 MET 62 2HB MET 62 6.791 -2.717 10.543 275 HB3 MET 62 3HB MET 62 5.276 -1.926 10.175 276 HG2 MET 62 2HG MET 62 4.020 -3.243 11.230 277 HG3 MET 62 3HG MET 62 4.913 -4.737 10.925 278 HE1 MET 62 3HE MET 62 7.867 -3.980 12.340 279 HE2 MET 62 1HE MET 62 7.475 -4.738 13.891 280 HE3 MET 62 2HE MET 62 6.934 -5.502 12.379 281 H TYR 63 H TYR 63 4.162 -2.068 7.338 282 HA TYR 63 HA TYR 63 6.090 0.100 6.810 283 HB2 TYR 63 2HB TYR 63 4.545 -1.303 4.649 284 HB3 TYR 63 3HB TYR 63 5.317 0.146 4.419 285 HD1 TYR 63 HD1 TYR 63 5.524 -3.440 4.858 286 HD2 TYR 63 HD2 TYR 63 7.979 0.036 4.260 287 HE1 TYR 63 HE1 TYR 63 7.402 -4.914 4.412 288 HE2 TYR 63 HE2 TYR 63 9.954 -1.428 3.998 289 HH TYR 63 HH TYR 63 9.633 -5.021 4.292 290 H GLU 64 H GLU 64 5.163 2.041 6.457 291 HA GLU 64 HA GLU 64 2.234 2.367 6.854 292 HB2 GLU 64 2HB GLU 64 3.486 3.557 8.469 293 HB3 GLU 64 3HB GLU 64 4.588 4.226 7.275 294 HG2 GLU 64 2HG GLU 64 2.878 5.557 6.368 295 HG3 GLU 64 3HG GLU 64 1.619 4.781 7.302 296 H ILE 65 H ILE 65 0.957 3.011 5.149 297 HA ILE 65 HA ILE 65 2.308 3.682 2.550 298 HB ILE 65 HB ILE 65 0.206 1.552 3.065 299 HG12 ILE 65 2HG1 ILE 65 3.071 1.183 2.127 300 HG13 ILE 65 3HG1 ILE 65 2.501 0.898 3.755 301 HG21 ILE 65 1HG2 ILE 65 0.416 1.031 0.626 302 HG22 ILE 65 2HG2 ILE 65 -0.167 2.660 0.875 303 HG23 ILE 65 3HG2 ILE 65 1.536 2.400 0.443 304 HD11 ILE 65 3HD1 ILE 65 2.688 -1.196 2.635 305 HD12 ILE 65 1HD1 ILE 65 0.958 -0.864 2.893 306 HD13 ILE 65 2HD1 ILE 65 1.692 -0.660 1.280 307 H LYS 66 H LYS 66 1.327 5.226 1.392 308 HA LYS 66 HA LYS 66 -1.529 5.973 2.025 309 HB2 LYS 66 2HB LYS 66 0.864 7.756 1.688 310 HB3 LYS 66 3HB LYS 66 -0.663 8.269 0.966 311 HG2 LYS 66 2HG LYS 66 -1.767 8.007 3.185 312 HG3 LYS 66 3HG LYS 66 -0.173 7.659 3.904 313 HD2 LYS 66 2HD LYS 66 0.602 9.911 3.058 314 HD3 LYS 66 3HD LYS 66 -1.030 10.185 2.414 315 HE2 LYS 66 2HE LYS 66 -1.917 9.838 4.773 316 HE3 LYS 66 3HE LYS 66 -0.234 9.831 5.331 317 HZ1 LYS 66 3HZ LYS 66 -1.136 12.029 5.523 318 HZ2 LYS 66 1HZ LYS 66 -1.664 12.047 3.978 319 HZ3 LYS 66 2HZ LYS 66 -0.038 12.087 4.304 320 H ILE 67 H ILE 67 -2.880 5.671 0.450 321 HA ILE 67 HA ILE 67 -1.960 5.943 -2.310 322 HB ILE 67 HB ILE 67 -3.950 3.814 -1.614 323 HG12 ILE 67 2HG1 ILE 67 -0.938 3.712 -1.526 324 HG13 ILE 67 3HG1 ILE 67 -2.136 2.948 -0.553 325 HG21 ILE 67 1HG2 ILE 67 -3.411 3.075 -3.918 326 HG22 ILE 67 2HG2 ILE 67 -3.985 4.718 -3.917 327 HG23 ILE 67 3HG2 ILE 67 -2.252 4.426 -4.056 328 HD11 ILE 67 3HD1 ILE 67 -2.558 1.389 -2.537 329 HD12 ILE 67 1HD1 ILE 67 -1.216 2.208 -3.368 330 HD13 ILE 67 2HD1 ILE 67 -0.903 1.340 -1.865 331 H GLU 68 H GLU 68 -3.687 6.798 -3.756 332 HA GLU 68 HA GLU 68 -6.418 7.229 -2.728 333 HB2 GLU 68 2HB GLU 68 -5.101 9.155 -1.827 334 HB3 GLU 68 3HB GLU 68 -4.520 9.459 -3.374 335 HG2 GLU 68 2HG GLU 68 -6.843 10.033 -4.162 336 HG3 GLU 68 3HG GLU 68 -7.445 9.682 -2.566 337 H SER 69 H SER 69 -7.855 7.081 -4.488 338 HA SER 69 HA SER 69 -7.003 7.713 -7.230 339 HB2 SER 69 2HB SER 69 -5.976 5.420 -6.739 340 HB3 SER 69 3HB SER 69 -7.595 4.818 -6.493 341 HG SER 69 HG SER 69 -7.099 4.392 -8.568 342 H GLU 70 H GLU 70 -8.699 7.820 -8.661 343 HA GLU 70 HA GLU 70 -11.267 8.378 -7.763 344 HB2 GLU 70 2HB GLU 70 -9.881 8.367 -10.207 345 HB3 GLU 70 3HB GLU 70 -11.275 7.357 -10.527 346 HG2 GLU 70 2HG GLU 70 -11.645 10.023 -9.132 347 HG3 GLU 70 3HG GLU 70 -11.259 9.984 -10.846 348 H GLU 71 H GLU 71 -10.006 5.231 -8.670 349 HA GLU 71 HA GLU 71 -12.434 3.776 -8.846 350 HB2 GLU 71 2HB GLU 71 -11.108 1.834 -8.868 351 HB3 GLU 71 3HB GLU 71 -10.165 3.099 -9.651 352 HG2 GLU 71 2HG GLU 71 -9.233 3.413 -7.129 353 HG3 GLU 71 3HG GLU 71 -9.746 1.747 -6.994 354 H PHE 72 H PHE 72 -10.924 4.979 -5.925 355 HA PHE 72 HA PHE 72 -11.806 2.750 -4.281 356 HB2 PHE 72 2HB PHE 72 -10.284 5.318 -3.905 357 HB3 PHE 72 3HB PHE 72 -10.866 4.522 -2.510 358 HD1 PHE 72 1HD PHE 72 -10.381 1.578 -3.220 359 HD2 PHE 72 2HD PHE 72 -7.989 5.129 -3.702 360 HE1 PHE 72 1HE PHE 72 -8.335 0.215 -3.111 361 HE2 PHE 72 2HE PHE 72 -5.937 3.763 -3.556 362 HZ PHE 72 HZ PHE 72 -6.099 1.300 -3.295 363 H LYS 73 H LYS 73 -13.730 5.038 -5.469 364 HA LYS 73 HA LYS 73 -15.009 6.071 -3.065 365 HB2 LYS 73 2HB LYS 73 -16.840 6.824 -4.664 366 HB3 LYS 73 3HB LYS 73 -15.243 7.451 -5.016 367 HG2 LYS 73 2HG LYS 73 -14.943 5.678 -6.766 368 HG3 LYS 73 3HG LYS 73 -16.578 5.106 -6.445 369 HD2 LYS 73 2HD LYS 73 -17.555 7.161 -7.178 370 HD3 LYS 73 3HD LYS 73 -15.959 7.907 -7.430 371 HE2 LYS 73 2HE LYS 73 -16.657 5.240 -8.717 372 HE3 LYS 73 3HE LYS 73 -17.251 6.725 -9.425 373 HZ1 LYS 73 3HZ LYS 73 -15.070 6.103 -10.381 374 HZ2 LYS 73 1HZ LYS 73 -14.373 6.145 -8.896 375 HZ3 LYS 73 2HZ LYS 73 -14.919 7.515 -9.544 376 H GLU 74 H GLU 74 -15.787 3.606 -5.343 377 HA GLU 74 HA GLU 74 -18.299 2.801 -4.160 378 HB2 GLU 74 2HB GLU 74 -18.470 1.444 -6.197 379 HB3 GLU 74 3HB GLU 74 -17.988 3.113 -6.542 380 HG2 GLU 74 2HG GLU 74 -15.566 2.279 -6.640 381 HG3 GLU 74 3HG GLU 74 -16.215 0.643 -6.612 382 H LYS 75 H LYS 75 -16.167 2.488 -2.415 383 HA LYS 75 HA LYS 75 -16.051 -0.425 -1.825 384 HB2 LYS 75 2HB LYS 75 -13.747 1.575 -1.807 385 HB3 LYS 75 3HB LYS 75 -13.634 -0.094 -1.251 386 HG2 LYS 75 2HG LYS 75 -14.264 0.761 -4.105 387 HG3 LYS 75 3HG LYS 75 -12.674 0.374 -3.499 388 HD2 LYS 75 2HD LYS 75 -13.115 -1.921 -3.275 389 HD3 LYS 75 3HD LYS 75 -14.883 -1.695 -3.217 390 HE2 LYS 75 2HE LYS 75 -15.007 -1.041 -5.480 391 HE3 LYS 75 3HE LYS 75 -13.254 -0.907 -5.639 392 HZ1 LYS 75 3HZ LYS 75 -14.074 -2.973 -6.626 393 HZ2 LYS 75 1HZ LYS 75 -14.744 -3.473 -5.258 394 HZ3 LYS 75 2HZ LYS 75 -13.121 -3.364 -5.315 395 H ARG 76 H ARG 76 -16.290 -0.928 0.306 396 HA ARG 76 HA ARG 76 -16.640 1.037 2.343 397 HB2 ARG 76 2HB ARG 76 -15.752 -1.824 2.738 398 HB3 ARG 76 3HB ARG 76 -16.668 -0.780 3.736 399 HG2 ARG 76 2HG ARG 76 -18.542 -0.831 1.959 400 HG3 ARG 76 3HG ARG 76 -17.701 -2.301 1.395 401 HD2 ARG 76 2HD ARG 76 -17.866 -3.283 3.634 402 HD3 ARG 76 3HD ARG 76 -18.619 -1.794 4.240 403 HE ARG 76 HE ARG 76 -20.163 -2.802 2.043 404 HH11 ARG 76 1HH1 ARG 76 -19.481 -3.519 5.436 405 HH12 ARG 76 2HH1 ARG 76 -21.016 -4.357 5.607 406 HH21 ARG 76 2HH2 ARG 76 -22.436 -4.416 4.134 407 HH22 ARG 76 1HH2 ARG 76 -22.227 -3.621 2.572 408 H THR 77 H THR 77 -15.169 0.908 4.358 409 HA THR 77 HA THR 77 -12.439 1.528 3.922 410 HB THR 77 HB THR 77 -13.952 0.382 6.247 411 HG1 THR 77 1HG THR 77 -14.285 2.384 6.791 412 HG21 THR 77 1HG2 THR 77 -11.577 -0.101 6.707 413 HG22 THR 77 2HG2 THR 77 -12.129 1.213 7.740 414 HG23 THR 77 3HG2 THR 77 -11.143 1.579 6.301 415 H VAL 78 H VAL 78 -13.754 -1.602 5.023 416 HA VAL 78 HA VAL 78 -11.353 -3.083 4.881 417 HB VAL 78 HB VAL 78 -13.373 -3.837 5.988 418 HG11 VAL 78 1HG1 VAL 78 -15.291 -4.723 4.865 419 HG12 VAL 78 2HG1 VAL 78 -15.005 -3.086 4.262 420 HG13 VAL 78 3HG1 VAL 78 -14.557 -4.487 3.267 421 HG21 VAL 78 3HG2 VAL 78 -13.296 -6.190 5.415 422 HG22 VAL 78 1HG2 VAL 78 -12.583 -5.840 3.828 423 HG23 VAL 78 2HG2 VAL 78 -11.670 -5.508 5.312 424 H GLN 79 H GLN 79 -13.625 -2.324 2.262 425 HA GLN 79 HA GLN 79 -12.260 -4.121 0.401 426 HB2 GLN 79 2HB GLN 79 -14.463 -2.122 -0.204 427 HB3 GLN 79 3HB GLN 79 -13.807 -3.374 -1.269 428 HG2 GLN 79 2HG GLN 79 -14.441 -4.889 0.885 429 HG3 GLN 79 3HG GLN 79 -15.712 -3.669 0.989 430 HE21 GLN 79 2HE2 GLN 79 -17.252 -4.869 -2.088 431 HE22 GLN 79 1HE2 GLN 79 -17.028 -3.369 -1.211 432 H GLN 80 H GLN 80 -12.102 -0.584 1.006 433 HA GLN 80 HA GLN 80 -10.338 -0.021 -1.232 434 HB2 GLN 80 2HB GLN 80 -10.528 1.236 1.552 435 HB3 GLN 80 3HB GLN 80 -9.485 1.808 0.246 436 HG2 GLN 80 2HG GLN 80 -11.448 2.322 -1.147 437 HG3 GLN 80 3HG GLN 80 -12.513 1.811 0.165 438 HE21 GLN 80 2HE2 GLN 80 -12.171 5.508 0.460 439 HE22 GLN 80 1HE2 GLN 80 -12.802 4.402 -0.775 440 H HIS 81 H HIS 81 -9.676 -0.931 2.223 441 HA HIS 81 HA HIS 81 -6.864 -1.107 2.018 442 HB2 HIS 81 2HB HIS 81 -8.801 -2.768 3.679 443 HB3 HIS 81 3HB HIS 81 -7.063 -2.741 3.916 444 HD1 HIS 81 1HD HIS 81 -9.166 -1.910 6.130 445 HD2 HIS 81 2HD HIS 81 -6.865 0.618 3.688 446 HE1 HIS 81 1HE HIS 81 -8.961 0.316 7.387 447 H GLN 82 H GLN 82 -9.240 -3.756 1.542 448 HA GLN 82 HA GLN 82 -7.715 -5.926 1.027 449 HB2 GLN 82 2HB GLN 82 -10.109 -5.957 1.178 450 HB3 GLN 82 3HB GLN 82 -10.262 -4.970 -0.271 451 HG2 GLN 82 2HG GLN 82 -10.862 -7.144 -0.847 452 HG3 GLN 82 3HG GLN 82 -9.338 -6.812 -1.636 453 HE21 GLN 82 2HE2 GLN 82 -8.841 -10.190 -0.640 454 HE22 GLN 82 1HE2 GLN 82 -9.044 -9.029 -1.927 455 H MET 83 H MET 83 -8.518 -3.485 -1.512 456 HA MET 83 HA MET 83 -7.216 -4.784 -3.669 457 HB2 MET 83 2HB MET 83 -7.550 -1.798 -3.172 458 HB3 MET 83 3HB MET 83 -7.319 -2.560 -4.746 459 HG2 MET 83 2HG MET 83 -9.398 -3.630 -4.656 460 HG3 MET 83 3HG MET 83 -9.686 -3.281 -2.988 461 HE1 MET 83 3HE MET 83 -8.670 -0.728 -5.956 462 HE2 MET 83 1HE MET 83 -9.772 -1.978 -6.591 463 HE3 MET 83 2HE MET 83 -10.333 -0.302 -6.424 464 H VAL 84 H VAL 84 -6.026 -2.421 -1.404 465 HA VAL 84 HA VAL 84 -3.308 -2.167 -2.444 466 HB VAL 84 HB VAL 84 -4.223 -1.475 0.365 467 HG11 VAL 84 1HG1 VAL 84 -1.980 -0.562 -1.419 468 HG12 VAL 84 2HG1 VAL 84 -2.591 0.532 -0.160 469 HG13 VAL 84 3HG1 VAL 84 -1.920 -1.068 0.272 470 HG21 VAL 84 3HG2 VAL 84 -5.848 -0.454 -1.096 471 HG22 VAL 84 1HG2 VAL 84 -4.791 0.757 -0.412 472 HG23 VAL 84 2HG2 VAL 84 -4.549 0.234 -2.104 473 H ASN 85 H ASN 85 -4.864 -4.334 -0.209 474 HA ASN 85 HA ASN 85 -2.489 -5.362 1.174 475 HB2 ASN 85 2HB ASN 85 -5.447 -6.008 1.025 476 HB3 ASN 85 3HB ASN 85 -4.337 -7.243 1.617 477 HD21 ASN 85 2HD2 ASN 85 -4.967 -3.916 3.887 478 HD22 ASN 85 1HD2 ASN 85 -5.087 -3.802 2.135 479 H GLN 86 H GLN 86 -4.699 -6.437 -1.429 480 HA GLN 86 HA GLN 86 -3.258 -8.848 -2.099 481 HB2 GLN 86 2HB GLN 86 -5.534 -7.127 -3.118 482 HB3 GLN 86 3HB GLN 86 -4.720 -8.031 -4.319 483 HG2 GLN 86 2HG GLN 86 -5.994 -9.179 -1.809 484 HG3 GLN 86 3HG GLN 86 -6.673 -9.259 -3.433 485 HE21 GLN 86 2HE2 GLN 86 -4.477 -12.326 -2.286 486 HE22 GLN 86 1HE2 GLN 86 -5.526 -11.310 -1.321 487 H ALA 87 H ALA 87 -2.734 -5.474 -3.002 488 HA ALA 87 HA ALA 87 -1.573 -5.763 -5.487 489 HB1 ALA 87 1HB ALA 87 -0.528 -3.565 -4.966 490 HB2 ALA 87 2HB ALA 87 -2.223 -3.621 -4.442 491 HB3 ALA 87 3HB ALA 87 -0.907 -3.786 -3.253 492 H LEU 88 H LEU 88 -0.089 -6.208 -2.322 493 HA LEU 88 HA LEU 88 2.347 -7.316 -3.662 494 HB2 LEU 88 2HB LEU 88 3.775 -6.275 -2.204 495 HB3 LEU 88 3HB LEU 88 2.694 -5.049 -2.827 496 HG LEU 88 HG LEU 88 3.103 -4.479 -0.608 497 HD11 LEU 88 1HD1 LEU 88 1.021 -4.514 0.572 498 HD12 LEU 88 2HD1 LEU 88 0.426 -5.855 -0.419 499 HD13 LEU 88 3HD1 LEU 88 0.727 -4.262 -1.153 500 HD21 LEU 88 3HD2 LEU 88 2.362 -7.214 0.474 501 HD22 LEU 88 1HD2 LEU 88 3.066 -5.832 1.320 502 HD23 LEU 88 2HD2 LEU 88 4.018 -6.670 0.089 503 H LYS 89 H LYS 89 -0.174 -8.386 -1.985 504 HA LYS 89 HA LYS 89 0.733 -9.804 0.269 505 HB2 LYS 89 2HB LYS 89 -1.594 -9.602 -0.281 506 HB3 LYS 89 3HB LYS 89 -1.393 -10.466 -1.810 507 HG2 LYS 89 2HG LYS 89 -1.185 -12.508 -0.827 508 HG3 LYS 89 3HG LYS 89 -0.475 -11.916 0.637 509 HD2 LYS 89 2HD LYS 89 -3.401 -11.698 -0.102 510 HD3 LYS 89 3HD LYS 89 -2.696 -12.852 1.045 511 HE2 LYS 89 2HE LYS 89 -1.983 -10.945 2.483 512 HE3 LYS 89 3HE LYS 89 -2.734 -9.822 1.340 513 HZ1 LYS 89 3HZ LYS 89 -4.315 -10.280 3.094 514 HZ2 LYS 89 1HZ LYS 89 -4.127 -11.899 2.945 515 HZ3 LYS 89 2HZ LYS 89 -4.863 -11.074 1.753 516 H GLU 90 H GLU 90 1.150 -10.711 -3.159 517 HA GLU 90 HA GLU 90 1.926 -13.330 -2.494 518 HB2 GLU 90 2HB GLU 90 2.215 -11.533 -4.899 519 HB3 GLU 90 3HB GLU 90 2.661 -13.205 -4.924 520 HG2 GLU 90 2HG GLU 90 0.421 -13.978 -4.543 521 HG3 GLU 90 3HG GLU 90 -0.148 -12.359 -4.135 522 H GLU 91 H GLU 91 3.604 -10.305 -2.723 523 HA GLU 91 HA GLU 91 6.384 -11.258 -2.742 524 HB2 GLU 91 2HB GLU 91 4.877 -8.658 -2.831 525 HB3 GLU 91 3HB GLU 91 6.451 -8.598 -2.096 526 HG2 GLU 91 2HG GLU 91 6.231 -8.023 -4.502 527 HG3 GLU 91 3HG GLU 91 7.546 -9.110 -4.074 528 H ILE 92 H ILE 92 4.336 -9.436 -0.378 529 HA ILE 92 HA ILE 92 5.722 -10.798 1.882 530 HB ILE 92 HB ILE 92 5.335 -7.787 1.730 531 HG12 ILE 92 2HG1 ILE 92 7.831 -9.528 1.615 532 HG13 ILE 92 3HG1 ILE 92 7.230 -8.442 0.363 533 HG21 ILE 92 1HG2 ILE 92 4.930 -8.726 4.005 534 HG22 ILE 92 2HG2 ILE 92 6.514 -9.533 3.944 535 HG23 ILE 92 3HG2 ILE 92 6.385 -7.761 3.962 536 HD11 ILE 92 3HD1 ILE 92 9.093 -7.380 1.382 537 HD12 ILE 92 1HD1 ILE 92 7.638 -6.500 1.900 538 HD13 ILE 92 2HD1 ILE 92 8.451 -7.637 3.012 539 H LYS 93 H LYS 93 4.156 -11.626 3.216 540 HA LYS 93 HA LYS 93 1.417 -11.014 2.385 541 HB2 LYS 93 2HB LYS 93 2.548 -13.024 4.280 542 HB3 LYS 93 3HB LYS 93 0.857 -13.045 3.794 543 HG2 LYS 93 2HG LYS 93 1.383 -13.660 1.574 544 HG3 LYS 93 3HG LYS 93 3.115 -13.337 1.774 545 HD2 LYS 93 2HD LYS 93 3.312 -15.211 3.358 546 HD3 LYS 93 3HD LYS 93 1.571 -15.551 3.194 547 HE2 LYS 93 2HE LYS 93 1.839 -16.013 0.808 548 HE3 LYS 93 3HE LYS 93 3.536 -15.519 0.859 549 HZ1 LYS 93 3HZ LYS 93 3.253 -17.929 0.891 550 HZ2 LYS 93 1HZ LYS 93 2.417 -17.882 2.277 551 HZ3 LYS 93 2HZ LYS 93 4.007 -17.427 2.257 552 H GLU 94 H GLU 94 3.277 -9.893 4.991 553 HA GLU 94 HA GLU 94 1.534 -10.311 7.118 554 HB2 GLU 94 2HB GLU 94 4.092 -8.831 6.623 555 HB3 GLU 94 3HB GLU 94 3.457 -9.153 8.197 556 HG2 GLU 94 2HG GLU 94 4.190 -11.358 6.236 557 HG3 GLU 94 3HG GLU 94 5.292 -10.671 7.414 558 H MET 95 H MET 95 -0.362 -8.931 5.980 559 HA MET 95 HA MET 95 -0.085 -6.070 6.456 560 HB2 MET 95 2HB MET 95 -2.526 -7.624 5.611 561 HB3 MET 95 3HB MET 95 -2.450 -5.872 5.855 562 HG2 MET 95 2HG MET 95 -1.815 -5.773 3.704 563 HG3 MET 95 3HG MET 95 -0.229 -6.184 4.340 564 HE1 MET 95 3HE MET 95 0.119 -8.077 1.176 565 HE2 MET 95 1HE MET 95 -0.192 -6.418 1.702 566 HE3 MET 95 2HE MET 95 1.022 -7.405 2.549 567 H HIS 96 H HIS 96 -0.604 -8.478 8.705 568 HA HIS 96 HA HIS 96 -1.687 -6.843 10.815 569 HB2 HIS 96 2HB HIS 96 -1.236 -9.188 11.133 570 HB3 HIS 96 3HB HIS 96 0.445 -9.004 10.645 571 HD1 HIS 96 1HD HIS 96 -1.816 -8.405 13.692 572 HD2 HIS 96 2HD HIS 96 2.218 -8.236 12.471 573 HE1 HIS 96 1HE HIS 96 -0.436 -8.085 15.815 574 H GLY 97 H GLY 97 1.241 -6.664 8.993 575 HA2 GLY 97 2HA GLY 97 2.700 -4.836 10.716 576 HA3 GLY 97 3HA GLY 97 3.118 -5.444 9.089 577 H LEU 98 H LEU 98 0.569 -4.558 7.989 578 HA LEU 98 HA LEU 98 1.791 -2.037 7.010 579 HB2 LEU 98 2HB LEU 98 -0.487 -3.675 5.838 580 HB3 LEU 98 3HB LEU 98 0.322 -2.284 5.108 581 HG LEU 98 HG LEU 98 1.487 -5.050 5.609 582 HD11 LEU 98 1HD1 LEU 98 1.758 -3.196 3.244 583 HD12 LEU 98 2HD1 LEU 98 0.424 -4.369 3.364 584 HD13 LEU 98 3HD1 LEU 98 2.131 -4.928 3.344 585 HD21 LEU 98 3HD2 LEU 98 3.240 -3.601 6.395 586 HD22 LEU 98 1HD2 LEU 98 2.918 -2.478 5.022 587 HD23 LEU 98 2HD2 LEU 98 3.605 -4.122 4.756 588 H ARG 99 H ARG 99 1.056 -0.113 7.134 589 HA ARG 99 HA ARG 99 -1.497 0.497 8.617 590 HB2 ARG 99 2HB ARG 99 0.756 0.846 9.768 591 HB3 ARG 99 3HB ARG 99 1.013 2.158 8.621 592 HG2 ARG 99 2HG ARG 99 -1.266 3.090 9.436 593 HG3 ARG 99 3HG ARG 99 -1.169 1.889 10.735 594 HD2 ARG 99 2HD ARG 99 1.116 2.806 11.314 595 HD3 ARG 99 3HD ARG 99 0.877 4.008 10.041 596 HE ARG 99 HE ARG 99 -0.971 3.788 12.398 597 HH11 ARG 99 1HH1 ARG 99 1.354 5.906 10.675 598 HH12 ARG 99 2HH1 ARG 99 0.763 7.267 11.605 599 HH21 ARG 99 2HH2 ARG 99 -0.613 7.138 13.060 600 HH22 ARG 99 1HH2 ARG 99 -1.541 5.667 13.432 601 H ILE 100 H ILE 100 -2.862 0.787 6.937 602 HA ILE 100 HA ILE 100 -1.867 2.373 4.609 603 HB ILE 100 HB ILE 100 -4.122 0.436 4.246 604 HG12 ILE 100 2HG1 ILE 100 -1.314 -0.660 4.567 605 HG13 ILE 100 3HG1 ILE 100 -2.745 -1.029 5.540 606 HG21 ILE 100 1HG2 ILE 100 -3.344 0.272 2.062 607 HG22 ILE 100 2HG2 ILE 100 -2.889 1.931 2.443 608 HG23 ILE 100 3HG2 ILE 100 -1.666 0.636 2.500 609 HD11 ILE 100 3HD1 ILE 100 -2.499 -2.881 4.029 610 HD12 ILE 100 1HD1 ILE 100 -3.851 -1.913 3.409 611 HD13 ILE 100 2HD1 ILE 100 -2.266 -1.837 2.629 612 H PHE 101 H PHE 101 -2.693 3.816 3.718 613 HA PHE 101 HA PHE 101 -5.151 5.078 4.840 614 HB2 PHE 101 2HB PHE 101 -2.374 6.033 4.059 615 HB3 PHE 101 3HB PHE 101 -3.683 7.075 4.479 616 HD1 PHE 101 1HD PHE 101 -4.692 6.974 6.831 617 HD2 PHE 101 2HD PHE 101 -1.017 5.048 5.694 618 HE1 PHE 101 1HE PHE 101 -4.032 6.831 9.224 619 HE2 PHE 101 2HE PHE 101 -0.355 4.882 8.071 620 HZ PHE 101 HZ PHE 101 -1.867 5.785 9.857 621 H THR 102 H THR 102 -6.518 4.455 3.137 622 HA THR 102 HA THR 102 -5.968 5.427 0.352 623 HB THR 102 HB THR 102 -8.170 4.146 -0.035 624 HG1 THR 102 1HG THR 102 -9.056 3.599 1.784 625 HG21 THR 102 1HG2 THR 102 -5.774 2.557 0.991 626 HG22 THR 102 2HG2 THR 102 -5.981 3.192 -0.660 627 HG23 THR 102 3HG2 THR 102 -7.073 1.939 -0.056 628 H SER 103 H SER 103 -7.307 6.626 -0.740 629 HA SER 103 HA SER 103 -9.749 7.749 0.344 630 HB2 SER 103 2HB SER 103 -8.827 10.115 -0.216 631 HB3 SER 103 3HB SER 103 -8.466 9.410 1.342 632 HG SER 103 HG SER 103 -6.795 10.367 -0.452 633 H VAL 104 H VAL 104 -10.493 9.534 -1.382 634 HA VAL 104 HA VAL 104 -9.764 8.670 -4.137 635 HB VAL 104 HB VAL 104 -11.468 7.156 -3.601 636 HG11 VAL 104 1HG1 VAL 104 -12.565 8.064 -1.715 637 HG12 VAL 104 2HG1 VAL 104 -13.208 9.440 -2.667 638 HG13 VAL 104 3HG1 VAL 104 -13.750 7.780 -2.979 639 HG21 VAL 104 3HG2 VAL 104 -11.576 8.178 -5.797 640 HG22 VAL 104 1HG2 VAL 104 -13.095 7.528 -5.279 641 HG23 VAL 104 2HG2 VAL 104 -12.838 9.297 -5.252 642 HA PRO 105 HA PRO 105 -10.128 13.032 -4.704 643 HB2 PRO 105 2HB PRO 105 -9.372 13.267 -7.318 644 HB3 PRO 105 3HB PRO 105 -8.221 12.721 -6.055 645 HG2 PRO 105 2HG PRO 105 -9.844 11.000 -7.961 646 HG3 PRO 105 3HG PRO 105 -8.108 10.848 -7.556 647 HD2 PRO 105 2HD PRO 105 -9.985 9.349 -6.358 648 HD3 PRO 105 3HD PRO 105 -8.509 9.862 -5.533 649 H LYS 106 H LYS 106 -11.634 14.255 -4.816 650 HA LYS 106 HA LYS 106 -14.117 13.674 -6.326 651 HB2 LYS 106 2HB LYS 106 -13.335 13.308 -3.427 652 HB3 LYS 106 3HB LYS 106 -14.865 14.061 -3.733 653 HG2 LYS 106 2HG LYS 106 -15.319 12.115 -5.382 654 HG3 LYS 106 3HG LYS 106 -13.966 11.298 -4.575 655 HD2 LYS 106 2HD LYS 106 -15.124 11.589 -2.391 656 HD3 LYS 106 3HD LYS 106 -16.458 12.424 -3.209 657 HE2 LYS 106 2HE LYS 106 -16.869 10.357 -4.573 658 HE3 LYS 106 3HE LYS 106 -15.615 9.527 -3.625 659 HZ1 LYS 106 3HZ LYS 106 -16.909 9.983 -1.636 660 HZ2 LYS 106 1HZ LYS 106 -17.838 9.140 -2.693 661 HZ3 LYS 106 2HZ LYS 106 -18.073 10.756 -2.501 662 H ARG 107 H ARG 107 -14.115 15.496 -7.391 663 HA ARG 107 HA ARG 107 -14.703 17.652 -7.899 664 HB2 ARG 107 2HB ARG 107 -16.740 16.456 -7.157 665 HB3 ARG 107 3HB ARG 107 -16.576 17.178 -5.554 666 HG2 ARG 107 2HG ARG 107 -16.838 19.441 -6.538 667 HG3 ARG 107 3HG ARG 107 -16.872 18.733 -8.164 668 HD2 ARG 107 2HD ARG 107 -18.917 17.432 -7.505 669 HD3 ARG 107 3HD ARG 107 -18.933 18.280 -5.957 670 HE ARG 107 HE ARG 107 -19.529 19.384 -8.652 671 HH11 ARG 107 1HH1 ARG 107 -19.276 20.215 -5.214 672 HH12 ARG 107 2HH1 ARG 107 -19.942 21.805 -5.529 673 HH21 ARG 107 2HH2 ARG 107 -20.555 22.405 -7.543 674 HH22 ARG 107 1HH2 ARG 107 -20.344 21.303 -8.894 Start of MODEL 10 1 H1 ALA 27 H1 ALA 27 17.587 9.247 5.801 2 H2 ALA 27 H2 ALA 27 17.837 9.039 7.416 3 H3 ALA 27 H3 ALA 27 16.885 10.276 6.892 4 HA ALA 27 HA ALA 27 15.578 8.484 7.792 5 HB1 ALA 27 1HB ALA 27 15.307 8.833 4.774 6 HB2 ALA 27 2HB ALA 27 14.057 8.158 5.842 7 HB3 ALA 27 3HB ALA 27 14.558 9.831 6.048 8 H THR 28 H THR 28 14.507 6.359 6.790 9 HA THR 28 HA THR 28 16.693 4.339 6.576 10 HB THR 28 HB THR 28 14.013 3.592 7.631 11 HG1 THR 28 1HG THR 28 14.355 5.469 8.760 12 HG21 THR 28 1HG2 THR 28 15.369 2.231 9.173 13 HG22 THR 28 2HG2 THR 28 16.854 2.966 8.530 14 HG23 THR 28 3HG2 THR 28 15.845 1.932 7.499 15 H GLN 29 H GLN 29 16.205 2.342 5.437 16 HA GLN 29 HA GLN 29 13.646 2.063 4.118 17 HB2 GLN 29 2HB GLN 29 15.693 3.240 2.544 18 HB3 GLN 29 3HB GLN 29 15.641 1.544 2.010 19 HG2 GLN 29 2HG GLN 29 13.394 1.667 1.385 20 HG3 GLN 29 3HG GLN 29 13.080 3.086 2.375 21 HE21 GLN 29 2HE2 GLN 29 12.966 4.786 -0.674 22 HE22 GLN 29 1HE2 GLN 29 12.075 4.099 0.684 23 H THR 30 H THR 30 13.363 -0.080 3.152 24 HA THR 30 HA THR 30 15.396 -2.118 3.897 25 HB THR 30 HB THR 30 13.631 -3.824 3.697 26 HG1 THR 30 1HG THR 30 11.493 -3.041 3.721 27 HG21 THR 30 1HG2 THR 30 12.295 -3.243 5.748 28 HG22 THR 30 2HG2 THR 30 13.097 -1.671 5.747 29 HG23 THR 30 3HG2 THR 30 14.051 -3.142 5.953 30 H GLU 31 H GLU 31 15.193 -4.048 2.157 31 HA GLU 31 HA GLU 31 15.114 -3.064 -0.602 32 HB2 GLU 31 2HB GLU 31 15.179 -5.824 0.684 33 HB3 GLU 31 3HB GLU 31 15.166 -5.545 -1.058 34 HG2 GLU 31 2HG GLU 31 17.270 -4.312 -0.953 35 HG3 GLU 31 3HG GLU 31 17.304 -4.444 0.809 36 H GLY 32 H GLY 32 12.791 -4.459 1.688 37 HA2 GLY 32 2HA GLY 32 10.773 -5.252 -0.167 38 HA3 GLY 32 3HA GLY 32 10.566 -4.963 1.558 39 H GLU 33 H GLU 33 11.185 -2.163 1.677 40 HA GLU 33 HA GLU 33 8.895 -0.806 1.107 41 HB2 GLU 33 2HB GLU 33 11.312 -0.268 2.239 42 HB3 GLU 33 3HB GLU 33 11.569 0.579 0.743 43 HG2 GLU 33 2HG GLU 33 9.026 1.094 2.198 44 HG3 GLU 33 3HG GLU 33 10.489 1.583 3.016 45 H LEU 34 H LEU 34 11.701 -1.170 -1.027 46 HA LEU 34 HA LEU 34 10.788 0.468 -3.189 47 HB2 LEU 34 2HB LEU 34 12.744 -1.853 -3.402 48 HB3 LEU 34 3HB LEU 34 12.692 -0.360 -4.331 49 HG LEU 34 HG LEU 34 13.494 -0.686 -1.417 50 HD11 LEU 34 1HD1 LEU 34 15.184 -1.485 -2.977 51 HD12 LEU 34 2HD1 LEU 34 15.716 0.088 -2.341 52 HD13 LEU 34 3HD1 LEU 34 15.032 -0.017 -3.964 53 HD21 LEU 34 3HD2 LEU 34 14.159 1.718 -1.585 54 HD22 LEU 34 1HD2 LEU 34 12.405 1.493 -1.708 55 HD23 LEU 34 2HD2 LEU 34 13.364 1.805 -3.172 56 H ARG 35 H ARG 35 10.983 -3.049 -2.746 57 HA ARG 35 HA ARG 35 9.887 -3.944 -5.195 58 HB2 ARG 35 2HB ARG 35 11.046 -5.306 -3.387 59 HB3 ARG 35 3HB ARG 35 9.621 -5.150 -2.396 60 HG2 ARG 35 2HG ARG 35 8.899 -7.007 -3.281 61 HG3 ARG 35 3HG ARG 35 8.473 -6.152 -4.724 62 HD2 ARG 35 2HD ARG 35 10.424 -6.524 -5.875 63 HD3 ARG 35 3HD ARG 35 11.347 -7.118 -4.478 64 HE ARG 35 HE ARG 35 9.526 -9.063 -4.724 65 HH11 ARG 35 1HH1 ARG 35 11.723 -7.675 -7.152 66 HH12 ARG 35 2HH1 ARG 35 11.844 -9.259 -7.929 67 HH21 ARG 35 2HH2 ARG 35 10.561 -10.816 -7.489 68 HH22 ARG 35 1HH2 ARG 35 9.466 -10.788 -6.109 69 H VAL 36 H VAL 36 8.273 -3.329 -2.087 70 HA VAL 36 HA VAL 36 5.678 -4.118 -3.010 71 HB VAL 36 HB VAL 36 6.680 -2.424 -0.646 72 HG11 VAL 36 1HG1 VAL 36 4.367 -2.672 0.338 73 HG12 VAL 36 2HG1 VAL 36 4.523 -1.514 -0.982 74 HG13 VAL 36 3HG1 VAL 36 3.803 -3.104 -1.298 75 HG21 VAL 36 3HG2 VAL 36 5.416 -5.203 -0.688 76 HG22 VAL 36 1HG2 VAL 36 7.145 -4.873 -0.530 77 HG23 VAL 36 2HG2 VAL 36 6.043 -4.354 0.739 78 H THR 37 H THR 37 7.417 -0.899 -2.727 79 HA THR 37 HA THR 37 5.308 0.688 -3.723 80 HB THR 37 HB THR 37 8.270 1.092 -4.078 81 HG1 THR 37 1HG THR 37 7.890 1.102 -1.981 82 HG21 THR 37 1HG2 THR 37 7.068 2.596 -5.611 83 HG22 THR 37 2HG2 THR 37 7.739 3.510 -4.267 84 HG23 THR 37 3HG2 THR 37 6.005 3.112 -4.285 85 H GLN 38 H GLN 38 7.671 -1.249 -5.528 86 HA GLN 38 HA GLN 38 7.107 -0.152 -8.092 87 HB2 GLN 38 2HB GLN 38 8.026 -2.970 -7.359 88 HB3 GLN 38 3HB GLN 38 7.945 -2.321 -8.960 89 HG2 GLN 38 2HG GLN 38 9.971 -1.852 -6.850 90 HG3 GLN 38 3HG GLN 38 10.152 -2.005 -8.571 91 HE21 GLN 38 2HE2 GLN 38 9.968 1.687 -6.884 92 HE22 GLN 38 1HE2 GLN 38 9.761 0.208 -5.934 93 H ILE 39 H ILE 39 5.483 -2.885 -6.426 94 HA ILE 39 HA ILE 39 3.767 -3.360 -8.818 95 HB ILE 39 HB ILE 39 3.436 -4.572 -6.052 96 HG12 ILE 39 2HG1 ILE 39 5.230 -5.545 -8.322 97 HG13 ILE 39 3HG1 ILE 39 5.765 -4.978 -6.745 98 HG21 ILE 39 1HG2 ILE 39 2.314 -6.365 -7.373 99 HG22 ILE 39 2HG2 ILE 39 1.561 -4.814 -7.667 100 HG23 ILE 39 3HG2 ILE 39 2.675 -5.491 -8.880 101 HD11 ILE 39 3HD1 ILE 39 5.903 -7.344 -6.735 102 HD12 ILE 39 1HD1 ILE 39 4.567 -6.877 -5.659 103 HD13 ILE 39 2HD1 ILE 39 4.237 -7.530 -7.285 104 H LEU 40 H LEU 40 3.448 -1.706 -5.667 105 HA LEU 40 HA LEU 40 0.751 -0.941 -5.882 106 HB2 LEU 40 2HB LEU 40 3.209 0.525 -4.806 107 HB3 LEU 40 3HB LEU 40 1.630 1.274 -4.810 108 HG LEU 40 HG LEU 40 2.255 -1.442 -3.583 109 HD11 LEU 40 1HD1 LEU 40 2.217 -0.278 -1.396 110 HD12 LEU 40 2HD1 LEU 40 2.003 1.283 -2.226 111 HD13 LEU 40 3HD1 LEU 40 3.498 0.343 -2.437 112 HD21 LEU 40 3HD2 LEU 40 0.141 -1.025 -2.275 113 HD22 LEU 40 1HD2 LEU 40 -0.145 -1.214 -4.002 114 HD23 LEU 40 2HD2 LEU 40 -0.144 0.406 -3.301 115 H LYS 41 H LYS 41 3.408 0.510 -7.703 116 HA LYS 41 HA LYS 41 2.071 2.694 -8.892 117 HB2 LYS 41 2HB LYS 41 4.110 1.012 -10.359 118 HB3 LYS 41 3HB LYS 41 3.704 2.726 -10.603 119 HG2 LYS 41 2HG LYS 41 4.401 2.928 -8.073 120 HG3 LYS 41 3HG LYS 41 5.177 1.377 -8.403 121 HD2 LYS 41 2HD LYS 41 6.333 2.450 -10.375 122 HD3 LYS 41 3HD LYS 41 5.788 4.024 -9.745 123 HE2 LYS 41 2HE LYS 41 6.932 3.562 -7.596 124 HE3 LYS 41 3HE LYS 41 7.429 1.969 -8.186 125 HZ1 LYS 41 3HZ LYS 41 8.656 3.150 -9.971 126 HZ2 LYS 41 1HZ LYS 41 9.227 3.500 -8.460 127 HZ3 LYS 41 2HZ LYS 41 8.310 4.585 -9.261 128 H GLU 42 H GLU 42 1.987 -0.724 -9.823 129 HA GLU 42 HA GLU 42 0.690 -0.346 -12.320 130 HB2 GLU 42 2HB GLU 42 1.857 -2.363 -10.590 131 HB3 GLU 42 3HB GLU 42 0.895 -2.982 -11.726 132 HG2 GLU 42 2HG GLU 42 2.323 -1.736 -13.372 133 HG3 GLU 42 3HG GLU 42 3.459 -1.403 -12.079 134 H LYS 43 H LYS 43 -0.155 -1.506 -9.048 135 HA LYS 43 HA LYS 43 -2.769 -2.205 -9.994 136 HB2 LYS 43 2HB LYS 43 -1.963 -1.696 -7.108 137 HB3 LYS 43 3HB LYS 43 -3.416 -2.512 -7.712 138 HG2 LYS 43 2HG LYS 43 -0.614 -3.564 -7.985 139 HG3 LYS 43 3HG LYS 43 -1.813 -4.049 -6.806 140 HD2 LYS 43 2HD LYS 43 -3.291 -4.978 -8.396 141 HD3 LYS 43 3HD LYS 43 -2.361 -4.343 -9.747 142 HE2 LYS 43 2HE LYS 43 -0.529 -5.851 -9.334 143 HE3 LYS 43 3HE LYS 43 -1.096 -6.212 -7.697 144 HZ1 LYS 43 3HZ LYS 43 -2.967 -7.387 -8.623 145 HZ2 LYS 43 1HZ LYS 43 -1.577 -8.027 -9.207 146 HZ3 LYS 43 2HZ LYS 43 -2.490 -7.064 -10.170 147 H PHE 44 H PHE 44 -1.191 0.680 -8.807 148 HA PHE 44 HA PHE 44 -3.678 2.179 -9.247 149 HB2 PHE 44 2HB PHE 44 -1.650 2.722 -7.026 150 HB3 PHE 44 3HB PHE 44 -3.200 3.527 -7.237 151 HD1 PHE 44 1HD PHE 44 -5.340 2.202 -7.006 152 HD2 PHE 44 2HD PHE 44 -1.530 0.657 -5.698 153 HE1 PHE 44 1HE PHE 44 -6.488 0.481 -5.648 154 HE2 PHE 44 2HE PHE 44 -2.679 -1.089 -4.388 155 HZ PHE 44 HZ PHE 44 -5.164 -1.175 -4.352 156 HA PRO 45 HA PRO 45 -0.851 4.652 -11.851 157 HB2 PRO 45 2HB PRO 45 -1.979 4.046 -14.282 158 HB3 PRO 45 3HB PRO 45 -0.616 3.130 -13.573 159 HG2 PRO 45 2HG PRO 45 -3.559 2.442 -13.448 160 HG3 PRO 45 3HG PRO 45 -2.192 1.368 -13.894 161 HD2 PRO 45 2HD PRO 45 -3.141 1.269 -11.428 162 HD3 PRO 45 3HD PRO 45 -1.434 1.263 -11.624 163 H ARG 46 H ARG 46 -4.309 4.139 -11.357 164 HA ARG 46 HA ARG 46 -5.002 6.728 -12.452 165 HB2 ARG 46 2HB ARG 46 -6.611 4.807 -10.774 166 HB3 ARG 46 3HB ARG 46 -7.211 6.293 -11.521 167 HG2 ARG 46 2HG ARG 46 -6.392 5.384 -13.775 168 HG3 ARG 46 3HG ARG 46 -6.139 3.838 -12.929 169 HD2 ARG 46 2HD ARG 46 -8.547 4.160 -12.101 170 HD3 ARG 46 3HD ARG 46 -8.726 5.356 -13.398 171 HE ARG 46 HE ARG 46 -7.597 3.016 -14.534 172 HH11 ARG 46 1HH1 ARG 46 -10.770 4.120 -13.434 173 HH12 ARG 46 2HH1 ARG 46 -11.574 2.825 -14.283 174 HH21 ARG 46 2HH2 ARG 46 -10.487 1.332 -15.390 175 HH22 ARG 46 1HH2 ARG 46 -8.749 1.320 -15.442 176 H ALA 47 H ALA 47 -3.314 6.055 -9.704 177 HA ALA 47 HA ALA 47 -4.660 7.460 -7.691 178 HB1 ALA 47 1HB ALA 47 -3.002 5.725 -7.287 179 HB2 ALA 47 2HB ALA 47 -1.716 6.762 -7.946 180 HB3 ALA 47 3HB ALA 47 -2.552 7.209 -6.450 181 H THR 48 H THR 48 -4.148 9.266 -6.473 182 HA THR 48 HA THR 48 -2.524 11.421 -7.799 183 HB THR 48 HB THR 48 -3.899 13.082 -6.722 184 HG1 THR 48 1HG THR 48 -5.690 12.515 -5.635 185 HG21 THR 48 1HG2 THR 48 -5.627 11.092 -8.280 186 HG22 THR 48 2HG2 THR 48 -4.588 12.347 -8.991 187 HG23 THR 48 3HG2 THR 48 -5.979 12.799 -8.007 188 H ALA 49 H ALA 49 -3.016 9.518 -4.835 189 HA ALA 49 HA ALA 49 -0.201 10.365 -4.345 190 HB1 ALA 49 1HB ALA 49 -0.535 10.062 -1.922 191 HB2 ALA 49 2HB ALA 49 -1.610 11.332 -2.539 192 HB3 ALA 49 3HB ALA 49 -2.256 9.721 -2.182 193 H ILE 50 H ILE 50 1.228 8.687 -4.147 194 HA ILE 50 HA ILE 50 0.421 6.166 -2.954 195 HB ILE 50 HB ILE 50 1.929 4.906 -4.691 196 HG12 ILE 50 2HG1 ILE 50 0.741 6.924 -6.634 197 HG13 ILE 50 3HG1 ILE 50 2.413 6.976 -6.073 198 HG21 ILE 50 1HG2 ILE 50 0.040 3.989 -5.792 199 HG22 ILE 50 2HG2 ILE 50 -0.424 4.393 -4.141 200 HG23 ILE 50 3HG2 ILE 50 -0.930 5.444 -5.488 201 HD11 ILE 50 3HD1 ILE 50 2.744 4.637 -6.959 202 HD12 ILE 50 1HD1 ILE 50 1.110 4.723 -7.666 203 HD13 ILE 50 2HD1 ILE 50 2.372 5.837 -8.205 204 H LYS 51 H LYS 51 1.766 5.956 -1.348 205 HA LYS 51 HA LYS 51 4.694 6.157 -1.746 206 HB2 LYS 51 2HB LYS 51 4.973 7.737 0.049 207 HB3 LYS 51 3HB LYS 51 4.032 8.420 -1.274 208 HG2 LYS 51 2HG LYS 51 1.950 7.689 0.184 209 HG3 LYS 51 3HG LYS 51 3.144 7.562 1.486 210 HD2 LYS 51 2HD LYS 51 2.260 9.716 1.680 211 HD3 LYS 51 3HD LYS 51 3.814 9.959 0.843 212 HE2 LYS 51 2HE LYS 51 2.669 10.191 -1.303 213 HE3 LYS 51 3HE LYS 51 1.121 9.725 -0.579 214 HZ1 LYS 51 3HZ LYS 51 1.203 11.730 0.788 215 HZ2 LYS 51 1HZ LYS 51 1.393 12.201 -0.788 216 HZ3 LYS 51 2HZ LYS 51 2.697 12.119 0.183 217 H VAL 52 H VAL 52 5.916 5.315 -0.039 218 HA VAL 52 HA VAL 52 4.581 3.488 1.884 219 HB VAL 52 HB VAL 52 6.897 2.568 0.137 220 HG11 VAL 52 1HG1 VAL 52 6.253 0.315 0.898 221 HG12 VAL 52 2HG1 VAL 52 6.691 1.354 2.250 222 HG13 VAL 52 3HG1 VAL 52 4.983 1.022 1.921 223 HG21 VAL 52 3HG2 VAL 52 5.057 2.799 -1.442 224 HG22 VAL 52 1HG2 VAL 52 5.313 1.112 -1.107 225 HG23 VAL 52 2HG2 VAL 52 3.947 1.957 -0.330 226 H THR 53 H THR 53 5.671 3.181 3.846 227 HA THR 53 HA THR 53 8.536 4.124 4.026 228 HB THR 53 HB THR 53 6.298 4.748 6.030 229 HG1 THR 53 1HG THR 53 6.144 6.212 4.363 230 HG21 THR 53 1HG2 THR 53 9.202 5.595 6.052 231 HG22 THR 53 2HG2 THR 53 8.425 4.429 7.157 232 HG23 THR 53 3HG2 THR 53 7.939 6.115 7.205 233 H ASP 54 H ASP 54 9.826 2.722 4.918 234 HA ASP 54 HA ASP 54 8.813 0.321 6.387 235 HB2 ASP 54 2HB ASP 54 10.837 0.012 5.041 236 HB3 ASP 54 3HB ASP 54 11.492 1.520 5.491 237 H ILE 55 H ILE 55 8.378 0.286 8.363 238 HA ILE 55 HA ILE 55 9.516 2.293 10.254 239 HB ILE 55 HB ILE 55 7.369 2.441 11.402 240 HG12 ILE 55 2HG1 ILE 55 6.359 0.630 9.161 241 HG13 ILE 55 3HG1 ILE 55 6.273 0.417 10.859 242 HG21 ILE 55 1HG2 ILE 55 7.054 3.178 8.469 243 HG22 ILE 55 2HG2 ILE 55 6.402 4.021 9.884 244 HG23 ILE 55 3HG2 ILE 55 8.138 4.041 9.592 245 HD11 ILE 55 3HD1 ILE 55 4.673 2.400 10.969 246 HD12 ILE 55 1HD1 ILE 55 4.739 2.484 9.195 247 HD13 ILE 55 2HD1 ILE 55 4.068 1.047 9.982 248 H SER 56 H SER 56 10.377 -0.368 9.472 249 HA SER 56 HA SER 56 10.585 -1.593 12.158 250 HB2 SER 56 2HB SER 56 8.839 -2.753 11.042 251 HB3 SER 56 3HB SER 56 9.854 -3.039 9.632 252 HG SER 56 HG SER 56 10.758 -3.861 12.189 253 H GLY 57 H GLY 57 12.490 -0.069 11.796 254 HA2 GLY 57 2HA GLY 57 14.572 -0.606 10.010 255 HA3 GLY 57 3HA GLY 57 14.721 0.222 11.551 256 H GLY 58 H GLY 58 13.720 -2.836 12.365 257 HA2 GLY 58 2HA GLY 58 16.460 -4.053 12.392 258 HA3 GLY 58 3HA GLY 58 15.471 -3.991 13.844 259 H CYS 59 H CYS 59 13.388 -4.514 11.266 260 HA CYS 59 HA CYS 59 13.847 -7.430 10.983 261 HB2 CYS 59 2HB CYS 59 12.307 -6.827 13.042 262 HB3 CYS 59 3HB CYS 59 11.089 -6.468 11.823 263 HG CYS 59 HG CYS 59 12.689 -9.231 12.604 264 H GLY 60 H GLY 60 12.265 -4.483 9.937 265 HA2 GLY 60 2HA GLY 60 11.165 -3.787 8.188 266 HA3 GLY 60 3HA GLY 60 11.920 -5.074 7.194 267 H ALA 61 H ALA 61 9.723 -5.550 9.994 268 HA ALA 61 HA ALA 61 7.888 -7.143 8.317 269 HB1 ALA 61 1HB ALA 61 8.591 -7.988 10.498 270 HB2 ALA 61 2HB ALA 61 7.923 -6.547 11.301 271 HB3 ALA 61 3HB ALA 61 6.840 -7.691 10.483 272 H MET 62 H MET 62 7.914 -3.943 9.803 273 HA MET 62 HA MET 62 5.076 -3.513 9.101 274 HB2 MET 62 2HB MET 62 6.906 -1.829 10.862 275 HB3 MET 62 3HB MET 62 5.212 -1.526 10.491 276 HG2 MET 62 2HG MET 62 5.062 -2.394 12.503 277 HG3 MET 62 3HG MET 62 4.723 -3.805 11.520 278 HE1 MET 62 3HE MET 62 6.246 -2.672 14.513 279 HE2 MET 62 1HE MET 62 7.956 -3.192 14.573 280 HE3 MET 62 2HE MET 62 7.440 -1.916 13.436 281 H TYR 63 H TYR 63 4.393 -1.973 7.821 282 HA TYR 63 HA TYR 63 6.214 0.108 6.880 283 HB2 TYR 63 2HB TYR 63 4.654 -1.592 4.941 284 HB3 TYR 63 3HB TYR 63 5.427 -0.162 4.536 285 HD1 TYR 63 HD1 TYR 63 5.907 -3.655 5.564 286 HD2 TYR 63 HD2 TYR 63 7.899 -0.123 4.122 287 HE1 TYR 63 HE1 TYR 63 7.902 -5.026 5.035 288 HE2 TYR 63 HE2 TYR 63 9.937 -1.449 3.719 289 HH TYR 63 HH TYR 63 10.056 -5.012 4.260 290 H GLU 64 H GLU 64 5.222 1.953 6.326 291 HA GLU 64 HA GLU 64 2.306 2.327 6.735 292 HB2 GLU 64 2HB GLU 64 4.389 3.950 7.434 293 HB3 GLU 64 3HB GLU 64 4.140 4.517 5.782 294 HG2 GLU 64 2HG GLU 64 1.697 4.808 6.360 295 HG3 GLU 64 3HG GLU 64 2.119 4.346 8.000 296 H ILE 65 H ILE 65 0.929 2.576 4.939 297 HA ILE 65 HA ILE 65 2.143 3.198 2.290 298 HB ILE 65 HB ILE 65 0.015 1.067 2.720 299 HG12 ILE 65 2HG1 ILE 65 2.763 0.797 1.435 300 HG13 ILE 65 3HG1 ILE 65 2.419 0.350 3.103 301 HG21 ILE 65 1HG2 ILE 65 1.165 2.281 0.154 302 HG22 ILE 65 2HG2 ILE 65 0.097 0.867 0.197 303 HG23 ILE 65 3HG2 ILE 65 -0.514 2.418 0.727 304 HD11 ILE 65 3HD1 ILE 65 2.401 -1.632 1.729 305 HD12 ILE 65 1HD1 ILE 65 0.758 -1.324 2.333 306 HD13 ILE 65 2HD1 ILE 65 1.186 -0.960 0.646 307 H LYS 66 H LYS 66 1.194 4.931 1.404 308 HA LYS 66 HA LYS 66 -1.579 5.710 2.251 309 HB2 LYS 66 2HB LYS 66 0.935 7.360 2.149 310 HB3 LYS 66 3HB LYS 66 -0.630 8.130 1.877 311 HG2 LYS 66 2HG LYS 66 -1.380 7.659 4.053 312 HG3 LYS 66 3HG LYS 66 -0.137 6.430 4.344 313 HD2 LYS 66 2HD LYS 66 1.619 8.116 4.337 314 HD3 LYS 66 3HD LYS 66 0.455 9.397 3.943 315 HE2 LYS 66 2HE LYS 66 -0.621 9.233 6.064 316 HE3 LYS 66 3HE LYS 66 0.151 7.683 6.435 317 HZ1 LYS 66 3HZ LYS 66 2.231 8.734 6.687 318 HZ2 LYS 66 1HZ LYS 66 1.189 9.687 7.537 319 HZ3 LYS 66 2HZ LYS 66 1.707 10.172 6.066 320 H ILE 67 H ILE 67 -2.917 5.704 0.655 321 HA ILE 67 HA ILE 67 -1.991 6.339 -2.064 322 HB ILE 67 HB ILE 67 -4.162 4.363 -1.417 323 HG12 ILE 67 2HG1 ILE 67 -1.182 3.965 -1.536 324 HG13 ILE 67 3HG1 ILE 67 -2.389 3.275 -0.516 325 HG21 ILE 67 1HG2 ILE 67 -4.379 5.301 -3.644 326 HG22 ILE 67 2HG2 ILE 67 -2.664 5.031 -3.970 327 HG23 ILE 67 3HG2 ILE 67 -3.795 3.672 -3.804 328 HD11 ILE 67 3HD1 ILE 67 -3.075 1.787 -2.406 329 HD12 ILE 67 1HD1 ILE 67 -1.828 2.551 -3.430 330 HD13 ILE 67 2HD1 ILE 67 -1.338 1.672 -1.991 331 H GLU 68 H GLU 68 -3.607 7.377 -3.397 332 HA GLU 68 HA GLU 68 -6.346 7.780 -2.440 333 HB2 GLU 68 2HB GLU 68 -5.114 9.770 -1.595 334 HB3 GLU 68 3HB GLU 68 -4.496 10.029 -3.111 335 HG2 GLU 68 2HG GLU 68 -6.613 10.817 -4.005 336 HG3 GLU 68 3HG GLU 68 -7.545 10.192 -2.678 337 H SER 69 H SER 69 -7.639 7.414 -4.243 338 HA SER 69 HA SER 69 -6.593 7.901 -6.956 339 HB2 SER 69 2HB SER 69 -5.697 5.596 -6.306 340 HB3 SER 69 3HB SER 69 -7.357 5.086 -6.125 341 HG SER 69 HG SER 69 -6.804 4.601 -8.243 342 H GLU 70 H GLU 70 -8.195 8.136 -8.431 343 HA GLU 70 HA GLU 70 -10.790 8.777 -7.581 344 HB2 GLU 70 2HB GLU 70 -11.171 9.227 -9.824 345 HB3 GLU 70 3HB GLU 70 -9.544 9.731 -9.452 346 HG2 GLU 70 2HG GLU 70 -8.594 7.752 -10.441 347 HG3 GLU 70 3HG GLU 70 -10.183 7.067 -10.788 348 H GLU 71 H GLU 71 -9.556 5.659 -8.354 349 HA GLU 71 HA GLU 71 -12.044 4.403 -9.098 350 HB2 GLU 71 2HB GLU 71 -10.814 2.409 -9.193 351 HB3 GLU 71 3HB GLU 71 -9.704 3.678 -9.711 352 HG2 GLU 71 2HG GLU 71 -9.063 3.691 -7.104 353 HG3 GLU 71 3HG GLU 71 -9.748 2.077 -7.145 354 H PHE 72 H PHE 72 -10.722 5.241 -5.962 355 HA PHE 72 HA PHE 72 -11.911 2.993 -4.567 356 HB2 PHE 72 2HB PHE 72 -10.358 5.468 -3.821 357 HB3 PHE 72 3HB PHE 72 -11.055 4.491 -2.578 358 HD1 PHE 72 1HD PHE 72 -8.088 5.224 -3.577 359 HD2 PHE 72 2HD PHE 72 -10.552 1.686 -3.424 360 HE1 PHE 72 1HE PHE 72 -6.072 3.813 -3.277 361 HE2 PHE 72 2HE PHE 72 -8.538 0.299 -3.103 362 HZ PHE 72 HZ PHE 72 -6.290 1.357 -3.048 363 H LYS 73 H LYS 73 -13.784 5.085 -5.836 364 HA LYS 73 HA LYS 73 -14.982 6.721 -3.809 365 HB2 LYS 73 2HB LYS 73 -16.807 6.975 -5.635 366 HB3 LYS 73 3HB LYS 73 -15.198 7.607 -5.928 367 HG2 LYS 73 2HG LYS 73 -14.604 5.782 -7.369 368 HG3 LYS 73 3HG LYS 73 -16.051 4.858 -6.930 369 HD2 LYS 73 2HD LYS 73 -17.491 6.342 -8.052 370 HD3 LYS 73 3HD LYS 73 -16.212 7.575 -8.282 371 HE2 LYS 73 2HE LYS 73 -14.922 5.958 -9.680 372 HE3 LYS 73 3HE LYS 73 -16.217 4.780 -9.483 373 HZ1 LYS 73 3HZ LYS 73 -17.699 6.524 -10.564 374 HZ2 LYS 73 1HZ LYS 73 -16.514 5.943 -11.573 375 HZ3 LYS 73 2HZ LYS 73 -16.330 7.396 -10.868 376 H GLU 74 H GLU 74 -16.163 3.705 -5.165 377 HA GLU 74 HA GLU 74 -18.610 3.774 -3.501 378 HB2 GLU 74 2HB GLU 74 -19.062 3.423 -5.706 379 HB3 GLU 74 3HB GLU 74 -17.709 2.391 -6.023 380 HG2 GLU 74 2HG GLU 74 -20.126 1.647 -4.308 381 HG3 GLU 74 3HG GLU 74 -20.006 1.317 -6.027 382 H LYS 75 H LYS 75 -15.497 2.228 -3.550 383 HA LYS 75 HA LYS 75 -16.035 -0.120 -2.050 384 HB2 LYS 75 2HB LYS 75 -13.589 1.676 -1.987 385 HB3 LYS 75 3HB LYS 75 -13.632 0.035 -1.346 386 HG2 LYS 75 2HG LYS 75 -14.010 0.825 -4.243 387 HG3 LYS 75 3HG LYS 75 -12.516 0.231 -3.549 388 HD2 LYS 75 2HD LYS 75 -13.336 -1.967 -3.285 389 HD3 LYS 75 3HD LYS 75 -15.043 -1.476 -3.504 390 HE2 LYS 75 2HE LYS 75 -14.576 -0.747 -5.765 391 HE3 LYS 75 3HE LYS 75 -12.862 -1.147 -5.593 392 HZ1 LYS 75 3HZ LYS 75 -13.616 -3.521 -5.247 393 HZ2 LYS 75 1HZ LYS 75 -13.917 -2.930 -6.760 394 HZ3 LYS 75 2HZ LYS 75 -15.135 -3.053 -5.707 395 H ARG 76 H ARG 76 -16.205 -0.718 0.022 396 HA ARG 76 HA ARG 76 -16.626 1.121 2.173 397 HB2 ARG 76 2HB ARG 76 -15.797 -1.787 2.384 398 HB3 ARG 76 3HB ARG 76 -16.748 -0.846 3.438 399 HG2 ARG 76 2HG ARG 76 -17.891 -1.571 0.756 400 HG3 ARG 76 3HG ARG 76 -17.975 -2.634 2.136 401 HD2 ARG 76 2HD ARG 76 -20.051 -1.365 1.948 402 HD3 ARG 76 3HD ARG 76 -19.213 -1.004 3.451 403 HE ARG 76 HE ARG 76 -19.097 1.198 2.843 404 HH11 ARG 76 1HH1 ARG 76 -19.927 -0.541 -0.118 405 HH12 ARG 76 2HH1 ARG 76 -19.602 0.880 -1.086 406 HH21 ARG 76 2HH2 ARG 76 -19.259 2.808 -0.186 407 HH22 ARG 76 1HH2 ARG 76 -18.714 2.896 1.497 408 H THR 77 H THR 77 -15.231 0.996 4.174 409 HA THR 77 HA THR 77 -12.529 1.629 3.925 410 HB THR 77 HB THR 77 -13.805 -0.087 6.063 411 HG1 THR 77 1HG THR 77 -13.830 2.702 5.646 412 HG21 THR 77 1HG2 THR 77 -11.329 1.719 6.047 413 HG22 THR 77 2HG2 THR 77 -11.394 -0.019 6.387 414 HG23 THR 77 3HG2 THR 77 -12.064 1.126 7.547 415 H VAL 78 H VAL 78 -13.717 -1.631 4.730 416 HA VAL 78 HA VAL 78 -11.292 -3.044 4.499 417 HB VAL 78 HB VAL 78 -13.108 -3.992 5.622 418 HG11 VAL 78 1HG1 VAL 78 -14.724 -4.055 3.048 419 HG12 VAL 78 2HG1 VAL 78 -15.194 -4.738 4.601 420 HG13 VAL 78 3HG1 VAL 78 -15.021 -2.998 4.454 421 HG21 VAL 78 3HG2 VAL 78 -13.206 -6.235 4.763 422 HG22 VAL 78 1HG2 VAL 78 -12.848 -5.698 3.120 423 HG23 VAL 78 2HG2 VAL 78 -11.598 -5.589 4.381 424 H GLN 79 H GLN 79 -13.704 -2.362 1.977 425 HA GLN 79 HA GLN 79 -12.292 -4.004 0.034 426 HB2 GLN 79 2HB GLN 79 -14.530 -2.029 -0.522 427 HB3 GLN 79 3HB GLN 79 -13.887 -3.304 -1.567 428 HG2 GLN 79 2HG GLN 79 -14.548 -4.764 0.620 429 HG3 GLN 79 3HG GLN 79 -15.822 -3.543 0.648 430 HE21 GLN 79 2HE2 GLN 79 -17.016 -4.664 -2.670 431 HE22 GLN 79 1HE2 GLN 79 -16.893 -3.207 -1.723 432 H GLN 80 H GLN 80 -12.012 -0.602 0.958 433 HA GLN 80 HA GLN 80 -10.259 0.057 -1.286 434 HB2 GLN 80 2HB GLN 80 -10.501 1.308 1.484 435 HB3 GLN 80 3HB GLN 80 -9.439 1.878 0.192 436 HG2 GLN 80 2HG GLN 80 -11.402 2.290 -1.261 437 HG3 GLN 80 3HG GLN 80 -12.467 1.794 0.053 438 HE21 GLN 80 2HE2 GLN 80 -12.479 5.439 0.282 439 HE22 GLN 80 1HE2 GLN 80 -12.986 4.272 -0.932 440 H HIS 81 H HIS 81 -9.587 -0.841 2.171 441 HA HIS 81 HA HIS 81 -6.774 -1.010 1.928 442 HB2 HIS 81 2HB HIS 81 -8.634 -2.599 3.731 443 HB3 HIS 81 3HB HIS 81 -6.886 -2.484 3.915 444 HD1 HIS 81 1HD HIS 81 -9.393 -1.333 5.862 445 HD2 HIS 81 2HD HIS 81 -6.416 0.659 3.668 446 HE1 HIS 81 1HE HIS 81 -9.115 0.963 6.945 447 H GLN 82 H GLN 82 -9.132 -3.711 1.469 448 HA GLN 82 HA GLN 82 -7.414 -5.808 0.997 449 HB2 GLN 82 2HB GLN 82 -9.792 -6.071 1.218 450 HB3 GLN 82 3HB GLN 82 -10.084 -5.163 -0.270 451 HG2 GLN 82 2HG GLN 82 -10.366 -7.533 -0.700 452 HG3 GLN 82 3HG GLN 82 -9.001 -6.916 -1.599 453 HE21 GLN 82 2HE2 GLN 82 -7.558 -9.991 -0.487 454 HE22 GLN 82 1HE2 GLN 82 -8.199 -9.060 -1.844 455 H MET 83 H MET 83 -8.381 -3.331 -1.485 456 HA MET 83 HA MET 83 -7.069 -4.674 -3.655 457 HB2 MET 83 2HB MET 83 -7.448 -1.677 -3.397 458 HB3 MET 83 3HB MET 83 -7.227 -2.602 -4.872 459 HG2 MET 83 2HG MET 83 -9.477 -3.786 -3.722 460 HG3 MET 83 3HG MET 83 -9.646 -2.081 -3.308 461 HE1 MET 83 3HE MET 83 -8.300 -0.707 -5.998 462 HE2 MET 83 1HE MET 83 -9.762 -0.452 -6.960 463 HE3 MET 83 2HE MET 83 -9.784 -0.091 -5.222 464 H VAL 84 H VAL 84 -5.895 -2.321 -1.287 465 HA VAL 84 HA VAL 84 -3.206 -2.033 -2.389 466 HB VAL 84 HB VAL 84 -3.958 -1.523 0.487 467 HG11 VAL 84 1HG1 VAL 84 -2.083 -0.277 -1.492 468 HG12 VAL 84 2HG1 VAL 84 -2.591 0.667 -0.081 469 HG13 VAL 84 3HG1 VAL 84 -1.744 -0.907 0.129 470 HG21 VAL 84 3HG2 VAL 84 -5.841 -0.551 -0.551 471 HG22 VAL 84 1HG2 VAL 84 -4.779 0.747 -0.084 472 HG23 VAL 84 2HG2 VAL 84 -4.833 0.243 -1.795 473 H ASN 85 H ASN 85 -4.740 -4.227 -0.126 474 HA ASN 85 HA ASN 85 -2.319 -5.461 0.948 475 HB2 ASN 85 2HB ASN 85 -5.292 -5.906 0.970 476 HB3 ASN 85 3HB ASN 85 -4.267 -7.306 1.344 477 HD21 ASN 85 2HD2 ASN 85 -4.682 -4.269 4.004 478 HD22 ASN 85 1HD2 ASN 85 -5.119 -4.027 2.309 479 H GLN 86 H GLN 86 -4.697 -6.431 -1.628 480 HA GLN 86 HA GLN 86 -3.208 -8.722 -2.410 481 HB2 GLN 86 2HB GLN 86 -5.644 -7.555 -3.123 482 HB3 GLN 86 3HB GLN 86 -4.713 -7.458 -4.596 483 HG2 GLN 86 2HG GLN 86 -5.345 -9.925 -2.937 484 HG3 GLN 86 3HG GLN 86 -5.999 -9.524 -4.522 485 HE21 GLN 86 2HE2 GLN 86 -2.806 -10.498 -6.155 486 HE22 GLN 86 1HE2 GLN 86 -3.749 -9.013 -6.110 487 H ALA 87 H ALA 87 -2.594 -5.365 -3.049 488 HA ALA 87 HA ALA 87 -1.225 -5.578 -5.524 489 HB1 ALA 87 1HB ALA 87 -0.824 -3.534 -3.288 490 HB2 ALA 87 2HB ALA 87 -0.429 -3.321 -4.998 491 HB3 ALA 87 3HB ALA 87 -2.130 -3.458 -4.497 492 H LEU 88 H LEU 88 -0.137 -6.310 -2.298 493 HA LEU 88 HA LEU 88 2.442 -7.229 -3.524 494 HB2 LEU 88 2HB LEU 88 3.760 -6.330 -1.943 495 HB3 LEU 88 3HB LEU 88 2.651 -5.043 -2.341 496 HG LEU 88 HG LEU 88 2.961 -4.827 -0.062 497 HD11 LEU 88 1HD1 LEU 88 0.476 -6.539 -0.014 498 HD12 LEU 88 2HD1 LEU 88 0.507 -4.864 -0.619 499 HD13 LEU 88 3HD1 LEU 88 0.913 -5.221 1.071 500 HD21 LEU 88 3HD2 LEU 88 2.489 -7.759 0.529 501 HD22 LEU 88 1HD2 LEU 88 3.150 -6.500 1.568 502 HD23 LEU 88 2HD2 LEU 88 4.097 -7.032 0.161 503 H LYS 89 H LYS 89 -0.310 -8.292 -1.923 504 HA LYS 89 HA LYS 89 0.506 -10.264 -0.173 505 HB2 LYS 89 2HB LYS 89 -1.829 -9.908 -0.591 506 HB3 LYS 89 3HB LYS 89 -1.636 -10.155 -2.348 507 HG2 LYS 89 2HG LYS 89 -1.225 -12.449 -2.113 508 HG3 LYS 89 3HG LYS 89 -1.008 -12.402 -0.419 509 HD2 LYS 89 2HD LYS 89 -3.343 -12.320 0.020 510 HD3 LYS 89 3HD LYS 89 -3.714 -11.560 -1.546 511 HE2 LYS 89 2HE LYS 89 -3.060 -13.528 -2.760 512 HE3 LYS 89 3HE LYS 89 -2.505 -14.328 -1.288 513 HZ1 LYS 89 3HZ LYS 89 -5.341 -13.713 -1.951 514 HZ2 LYS 89 1HZ LYS 89 -4.844 -14.335 -0.506 515 HZ3 LYS 89 2HZ LYS 89 -4.662 -15.203 -1.874 516 H GLU 90 H GLU 90 0.722 -10.292 -3.727 517 HA GLU 90 HA GLU 90 1.348 -13.044 -3.828 518 HB2 GLU 90 2HB GLU 90 1.092 -10.699 -5.697 519 HB3 GLU 90 3HB GLU 90 1.859 -12.141 -6.293 520 HG2 GLU 90 2HG GLU 90 -0.155 -13.481 -5.676 521 HG3 GLU 90 3HG GLU 90 -0.936 -12.000 -5.107 522 H GLU 91 H GLU 91 3.215 -10.488 -2.860 523 HA GLU 91 HA GLU 91 5.847 -11.684 -3.574 524 HB2 GLU 91 2HB GLU 91 4.837 -8.876 -3.114 525 HB3 GLU 91 3HB GLU 91 6.343 -9.258 -2.318 526 HG2 GLU 91 2HG GLU 91 5.758 -9.479 -5.280 527 HG3 GLU 91 3HG GLU 91 6.766 -8.249 -4.492 528 H ILE 92 H ILE 92 4.014 -10.196 -0.895 529 HA ILE 92 HA ILE 92 5.119 -12.045 1.134 530 HB ILE 92 HB ILE 92 5.305 -8.998 1.074 531 HG12 ILE 92 2HG1 ILE 92 7.223 -11.308 1.322 532 HG13 ILE 92 3HG1 ILE 92 7.234 -9.987 0.170 533 HG21 ILE 92 1HG2 ILE 92 5.874 -8.930 3.417 534 HG22 ILE 92 2HG2 ILE 92 4.260 -9.557 3.232 535 HG23 ILE 92 3HG2 ILE 92 5.600 -10.689 3.585 536 HD11 ILE 92 3HD1 ILE 92 7.964 -8.423 1.959 537 HD12 ILE 92 1HD1 ILE 92 8.032 -9.795 3.100 538 HD13 ILE 92 2HD1 ILE 92 9.092 -9.774 1.694 539 H LYS 93 H LYS 93 3.405 -12.769 2.367 540 HA LYS 93 HA LYS 93 0.786 -11.534 1.752 541 HB2 LYS 93 2HB LYS 93 1.471 -14.020 3.247 542 HB3 LYS 93 3HB LYS 93 -0.156 -13.576 2.780 543 HG2 LYS 93 2HG LYS 93 0.341 -13.967 0.435 544 HG3 LYS 93 3HG LYS 93 2.058 -14.261 0.790 545 HD2 LYS 93 2HD LYS 93 1.552 -16.240 2.064 546 HD3 LYS 93 3HD LYS 93 -0.187 -15.896 2.036 547 HE2 LYS 93 2HE LYS 93 -0.284 -16.254 -0.366 548 HE3 LYS 93 3HE LYS 93 1.466 -16.515 -0.451 549 HZ1 LYS 93 3HZ LYS 93 1.262 -18.530 0.686 550 HZ2 LYS 93 1HZ LYS 93 -0.043 -18.554 -0.295 551 HZ3 LYS 93 2HZ LYS 93 -0.224 -18.175 1.307 552 H GLU 94 H GLU 94 2.998 -11.872 4.461 553 HA GLU 94 HA GLU 94 1.154 -11.464 6.543 554 HB2 GLU 94 2HB GLU 94 3.556 -12.530 6.481 555 HB3 GLU 94 3HB GLU 94 4.127 -10.894 6.825 556 HG2 GLU 94 2HG GLU 94 2.478 -10.859 8.777 557 HG3 GLU 94 3HG GLU 94 2.072 -12.522 8.321 558 H MET 95 H MET 95 -0.053 -9.610 5.725 559 HA MET 95 HA MET 95 1.149 -6.954 5.962 560 HB2 MET 95 2HB MET 95 -1.504 -8.034 5.117 561 HB3 MET 95 3HB MET 95 -1.428 -6.356 5.644 562 HG2 MET 95 2HG MET 95 -1.117 -6.282 3.321 563 HG3 MET 95 3HG MET 95 0.443 -5.960 4.052 564 HE1 MET 95 3HE MET 95 -1.627 -9.230 3.123 565 HE2 MET 95 1HE MET 95 -1.673 -8.151 1.711 566 HE3 MET 95 2HE MET 95 -0.784 -9.689 1.631 567 H HIS 96 H HIS 96 0.761 -8.840 8.444 568 HA HIS 96 HA HIS 96 -1.017 -7.500 10.191 569 HB2 HIS 96 2HB HIS 96 -0.278 -9.766 10.596 570 HB3 HIS 96 3HB HIS 96 1.407 -9.255 10.698 571 HD1 HIS 96 1HD HIS 96 -1.875 -8.502 12.701 572 HD2 HIS 96 2HD HIS 96 2.308 -8.875 13.086 573 HE1 HIS 96 1HE HIS 96 -1.367 -8.292 15.191 574 H GLY 97 H GLY 97 2.325 -6.833 9.507 575 HA2 GLY 97 2HA GLY 97 2.689 -4.704 11.534 576 HA3 GLY 97 3HA GLY 97 3.815 -5.226 10.323 577 H LEU 98 H LEU 98 1.222 -4.871 8.435 578 HA LEU 98 HA LEU 98 2.219 -2.265 7.447 579 HB2 LEU 98 2HB LEU 98 0.709 -4.515 6.160 580 HB3 LEU 98 3HB LEU 98 0.730 -2.881 5.497 581 HG LEU 98 HG LEU 98 3.330 -3.002 5.917 582 HD11 LEU 98 1HD1 LEU 98 3.399 -5.178 7.040 583 HD12 LEU 98 2HD1 LEU 98 4.379 -5.087 5.580 584 HD13 LEU 98 3HD1 LEU 98 2.851 -5.939 5.513 585 HD21 LEU 98 3HD2 LEU 98 3.670 -3.795 3.672 586 HD22 LEU 98 1HD2 LEU 98 2.284 -2.697 3.817 587 HD23 LEU 98 2HD2 LEU 98 2.013 -4.458 3.643 588 H ARG 99 H ARG 99 1.238 -0.541 7.210 589 HA ARG 99 HA ARG 99 -1.401 -0.078 8.574 590 HB2 ARG 99 2HB ARG 99 0.904 0.459 9.707 591 HB3 ARG 99 3HB ARG 99 0.832 1.922 8.713 592 HG2 ARG 99 2HG ARG 99 -1.506 2.322 9.584 593 HG3 ARG 99 3HG ARG 99 -1.358 0.890 10.588 594 HD2 ARG 99 2HD ARG 99 0.243 3.431 10.764 595 HD3 ARG 99 3HD ARG 99 -0.958 2.821 11.923 596 HE ARG 99 HE ARG 99 1.018 0.831 11.774 597 HH11 ARG 99 1HH1 ARG 99 0.950 4.167 12.817 598 HH12 ARG 99 2HH1 ARG 99 2.516 4.055 13.594 599 HH21 ARG 99 2HH2 ARG 99 3.555 2.088 13.694 600 HH22 ARG 99 1HH2 ARG 99 2.896 0.699 12.831 601 H ILE 100 H ILE 100 -2.712 0.210 6.939 602 HA ILE 100 HA ILE 100 -1.879 1.934 4.639 603 HB ILE 100 HB ILE 100 -4.141 -0.107 4.548 604 HG12 ILE 100 2HG1 ILE 100 -1.194 -0.723 4.212 605 HG13 ILE 100 3HG1 ILE 100 -2.410 -1.440 5.300 606 HG21 ILE 100 1HG2 ILE 100 -4.054 1.496 2.676 607 HG22 ILE 100 2HG2 ILE 100 -2.354 1.063 2.375 608 HG23 ILE 100 3HG2 ILE 100 -3.678 -0.099 2.139 609 HD11 ILE 100 3HD1 ILE 100 -2.112 -3.055 3.642 610 HD12 ILE 100 1HD1 ILE 100 -3.649 -2.225 3.273 611 HD13 ILE 100 2HD1 ILE 100 -2.180 -1.865 2.329 612 H PHE 101 H PHE 101 -2.848 3.273 3.693 613 HA PHE 101 HA PHE 101 -5.272 4.587 4.787 614 HB2 PHE 101 2HB PHE 101 -2.463 5.581 4.179 615 HB3 PHE 101 3HB PHE 101 -3.776 6.595 4.629 616 HD1 PHE 101 1HD PHE 101 -1.063 4.626 5.804 617 HD2 PHE 101 2HD PHE 101 -4.970 6.046 6.959 618 HE1 PHE 101 1HE PHE 101 -0.538 4.134 8.157 619 HE2 PHE 101 2HE PHE 101 -4.414 5.602 9.337 620 HZ PHE 101 HZ PHE 101 -2.191 4.688 9.956 621 H THR 102 H THR 102 -6.549 5.436 3.239 622 HA THR 102 HA THR 102 -5.877 5.685 0.324 623 HB THR 102 HB THR 102 -8.021 4.379 -0.117 624 HG1 THR 102 1HG THR 102 -9.098 3.858 1.568 625 HG21 THR 102 1HG2 THR 102 -7.066 2.121 0.050 626 HG22 THR 102 2HG2 THR 102 -5.812 2.707 1.162 627 HG23 THR 102 3HG2 THR 102 -5.853 3.266 -0.525 628 H SER 103 H SER 103 -7.326 6.896 -0.773 629 HA SER 103 HA SER 103 -9.785 7.889 0.397 630 HB2 SER 103 2HB SER 103 -8.813 10.307 -0.260 631 HB3 SER 103 3HB SER 103 -8.731 9.667 1.377 632 HG SER 103 HG SER 103 -6.777 10.564 -0.075 633 H VAL 104 H VAL 104 -10.832 9.508 -1.258 634 HA VAL 104 HA VAL 104 -9.949 8.848 -4.021 635 HB VAL 104 HB VAL 104 -11.567 7.211 -3.478 636 HG11 VAL 104 1HG1 VAL 104 -13.493 7.419 -2.465 637 HG12 VAL 104 2HG1 VAL 104 -12.980 9.034 -1.979 638 HG13 VAL 104 3HG1 VAL 104 -13.982 8.856 -3.417 639 HG21 VAL 104 3HG2 VAL 104 -12.796 9.199 -5.416 640 HG22 VAL 104 1HG2 VAL 104 -11.413 8.144 -5.734 641 HG23 VAL 104 2HG2 VAL 104 -12.974 7.432 -5.421 642 HA PRO 105 HA PRO 105 -10.985 13.140 -4.646 643 HB2 PRO 105 2HB PRO 105 -9.913 13.484 -7.100 644 HB3 PRO 105 3HB PRO 105 -8.919 13.323 -5.621 645 HG2 PRO 105 2HG PRO 105 -9.554 11.207 -7.685 646 HG3 PRO 105 3HG PRO 105 -7.987 11.532 -6.874 647 HD2 PRO 105 2HD PRO 105 -9.785 9.600 -6.075 648 HD3 PRO 105 3HD PRO 105 -8.556 10.320 -5.053 649 H LYS 106 H LYS 106 -12.876 13.953 -5.400 650 HA LYS 106 HA LYS 106 -14.333 12.639 -7.661 651 HB2 LYS 106 2HB LYS 106 -15.185 11.698 -5.635 652 HB3 LYS 106 3HB LYS 106 -15.309 13.283 -4.860 653 HG2 LYS 106 2HG LYS 106 -17.091 13.948 -6.193 654 HG3 LYS 106 3HG LYS 106 -16.902 12.646 -7.367 655 HD2 LYS 106 2HD LYS 106 -17.535 12.051 -4.456 656 HD3 LYS 106 3HD LYS 106 -18.808 12.531 -5.573 657 HE2 LYS 106 2HE LYS 106 -18.356 10.643 -7.049 658 HE3 LYS 106 3HE LYS 106 -16.964 10.152 -6.076 659 HZ1 LYS 106 3HZ LYS 106 -19.023 8.888 -5.540 660 HZ2 LYS 106 1HZ LYS 106 -19.742 10.280 -5.034 661 HZ3 LYS 106 2HZ LYS 106 -18.413 9.706 -4.240 662 H ARG 107 H ARG 107 -13.923 14.107 -9.081 663 HA ARG 107 HA ARG 107 -13.680 16.956 -8.612 664 HB2 ARG 107 2HB ARG 107 -12.266 15.597 -10.128 665 HB3 ARG 107 3HB ARG 107 -13.643 15.394 -11.218 666 HG2 ARG 107 2HG ARG 107 -13.714 17.773 -11.677 667 HG3 ARG 107 3HG ARG 107 -12.494 18.112 -10.435 668 HD2 ARG 107 2HD ARG 107 -12.023 16.452 -12.946 669 HD3 ARG 107 3HD ARG 107 -11.613 18.153 -12.784 670 HE ARG 107 HE ARG 107 -10.046 17.542 -10.950 671 HH11 ARG 107 1HH1 ARG 107 -10.781 14.902 -13.204 672 HH12 ARG 107 2HH1 ARG 107 -9.359 14.034 -12.654 673 HH21 ARG 107 2HH2 ARG 107 -7.922 14.965 -11.232 674 HH22 ARG 107 1HH2 ARG 107 -8.390 16.467 -10.444 Start of MODEL 11 1 H1 ALA 27 H1 ALA 27 13.882 6.617 10.882 2 H2 ALA 27 H2 ALA 27 13.566 8.176 10.496 3 H3 ALA 27 H3 ALA 27 15.111 7.588 10.373 4 HA ALA 27 HA ALA 27 12.810 6.705 8.793 5 HB1 ALA 27 1HB ALA 27 13.523 9.017 8.231 6 HB2 ALA 27 2HB ALA 27 15.162 8.413 7.888 7 HB3 ALA 27 3HB ALA 27 13.785 7.882 6.900 8 H THR 28 H THR 28 13.204 5.077 7.230 9 HA THR 28 HA THR 28 15.825 3.779 7.039 10 HB THR 28 HB THR 28 15.255 2.822 9.107 11 HG1 THR 28 1HG THR 28 14.336 0.765 7.481 12 HG21 THR 28 1HG2 THR 28 12.540 2.222 7.937 13 HG22 THR 28 2HG2 THR 28 12.921 3.165 9.389 14 HG23 THR 28 3HG2 THR 28 13.165 1.413 9.389 15 H GLN 29 H GLN 29 15.746 1.830 5.614 16 HA GLN 29 HA GLN 29 13.467 1.629 3.752 17 HB2 GLN 29 2HB GLN 29 16.139 2.673 2.931 18 HB3 GLN 29 3HB GLN 29 15.458 1.376 1.951 19 HG2 GLN 29 2HG GLN 29 14.502 3.084 0.892 20 HG3 GLN 29 3HG GLN 29 13.233 2.706 1.984 21 HE21 GLN 29 2HE2 GLN 29 13.053 6.213 2.489 22 HE22 GLN 29 1HE2 GLN 29 12.342 4.781 1.754 23 H THR 30 H THR 30 13.280 -0.344 2.729 24 HA THR 30 HA THR 30 15.303 -2.439 3.266 25 HB THR 30 HB THR 30 13.563 -4.158 3.159 26 HG1 THR 30 1HG THR 30 11.405 -3.369 3.488 27 HG21 THR 30 1HG2 THR 30 14.236 -3.184 5.376 28 HG22 THR 30 2HG2 THR 30 12.603 -3.867 5.334 29 HG23 THR 30 3HG2 THR 30 12.821 -2.115 5.263 30 H GLU 31 H GLU 31 15.044 -4.298 1.443 31 HA GLU 31 HA GLU 31 14.735 -3.188 -1.251 32 HB2 GLU 31 2HB GLU 31 14.958 -5.966 -0.094 33 HB3 GLU 31 3HB GLU 31 14.514 -5.706 -1.776 34 HG2 GLU 31 2HG GLU 31 17.045 -4.656 -0.459 35 HG3 GLU 31 3HG GLU 31 16.921 -6.061 -1.506 36 H GLY 32 H GLY 32 12.603 -4.614 1.144 37 HA2 GLY 32 2HA GLY 32 10.322 -5.252 -0.430 38 HA3 GLY 32 3HA GLY 32 10.349 -4.884 1.301 39 H GLU 33 H GLU 33 11.088 -2.212 1.433 40 HA GLU 33 HA GLU 33 8.878 -0.731 0.949 41 HB2 GLU 33 2HB GLU 33 11.189 -0.392 2.196 42 HB3 GLU 33 3HB GLU 33 11.692 0.444 0.754 43 HG2 GLU 33 2HG GLU 33 9.116 1.158 2.084 44 HG3 GLU 33 3HG GLU 33 10.611 1.603 2.892 45 H LEU 34 H LEU 34 11.659 -1.004 -1.269 46 HA LEU 34 HA LEU 34 10.646 0.736 -3.312 47 HB2 LEU 34 2HB LEU 34 12.632 -1.504 -3.701 48 HB3 LEU 34 3HB LEU 34 12.560 0.048 -4.538 49 HG LEU 34 HG LEU 34 13.436 -0.524 -1.704 50 HD11 LEU 34 1HD1 LEU 34 15.109 -1.068 -3.404 51 HD12 LEU 34 2HD1 LEU 34 15.624 0.364 -2.503 52 HD13 LEU 34 3HD1 LEU 34 14.942 0.552 -4.125 53 HD21 LEU 34 3HD2 LEU 34 12.326 1.679 -1.676 54 HD22 LEU 34 1HD2 LEU 34 13.255 2.191 -3.103 55 HD23 LEU 34 2HD2 LEU 34 14.072 1.901 -1.552 56 H ARG 35 H ARG 35 10.828 -2.787 -2.986 57 HA ARG 35 HA ARG 35 9.661 -3.692 -5.457 58 HB2 ARG 35 2HB ARG 35 10.877 -5.134 -3.937 59 HB3 ARG 35 3HB ARG 35 9.716 -4.854 -2.653 60 HG2 ARG 35 2HG ARG 35 8.480 -6.565 -3.319 61 HG3 ARG 35 3HG ARG 35 8.162 -5.808 -4.867 62 HD2 ARG 35 2HD ARG 35 9.098 -7.848 -5.443 63 HD3 ARG 35 3HD ARG 35 10.387 -6.687 -5.682 64 HE ARG 35 HE ARG 35 10.154 -8.477 -3.256 65 HH11 ARG 35 1HH1 ARG 35 12.358 -7.029 -5.616 66 HH12 ARG 35 2HH1 ARG 35 13.732 -7.358 -4.572 67 HH21 ARG 35 2HH2 ARG 35 13.475 -8.567 -2.715 68 HH22 ARG 35 1HH2 ARG 35 11.856 -8.994 -2.198 69 H VAL 36 H VAL 36 8.170 -3.036 -2.313 70 HA VAL 36 HA VAL 36 5.470 -3.654 -3.095 71 HB VAL 36 HB VAL 36 6.625 -1.902 -0.863 72 HG11 VAL 36 1HG1 VAL 36 4.438 -0.983 -1.231 73 HG12 VAL 36 2HG1 VAL 36 3.717 -2.582 -1.431 74 HG13 VAL 36 3HG1 VAL 36 4.314 -2.052 0.164 75 HG21 VAL 36 3HG2 VAL 36 6.986 -4.391 -0.689 76 HG22 VAL 36 1HG2 VAL 36 5.985 -3.748 0.611 77 HG23 VAL 36 2HG2 VAL 36 5.246 -4.617 -0.761 78 H THR 37 H THR 37 7.370 -0.573 -2.960 79 HA THR 37 HA THR 37 5.288 1.058 -3.911 80 HB THR 37 HB THR 37 8.239 1.474 -4.367 81 HG1 THR 37 1HG THR 37 7.929 1.318 -2.205 82 HG21 THR 37 1HG2 THR 37 6.977 3.064 -5.705 83 HG22 THR 37 2HG2 THR 37 7.626 3.908 -4.296 84 HG23 THR 37 3HG2 THR 37 5.913 3.435 -4.326 85 H GLN 38 H GLN 38 7.603 -0.876 -5.787 86 HA GLN 38 HA GLN 38 6.952 0.188 -8.363 87 HB2 GLN 38 2HB GLN 38 7.821 -2.648 -7.599 88 HB3 GLN 38 3HB GLN 38 7.697 -2.024 -9.211 89 HG2 GLN 38 2HG GLN 38 9.813 -1.572 -7.184 90 HG3 GLN 38 3HG GLN 38 9.942 -1.793 -8.909 91 HE21 GLN 38 2HE2 GLN 38 9.623 1.963 -7.318 92 HE22 GLN 38 1HE2 GLN 38 9.617 0.491 -6.328 93 H ILE 39 H ILE 39 5.434 -2.426 -6.482 94 HA ILE 39 HA ILE 39 3.593 -3.071 -8.667 95 HB ILE 39 HB ILE 39 3.583 -4.093 -5.812 96 HG12 ILE 39 2HG1 ILE 39 4.776 -5.452 -8.268 97 HG13 ILE 39 3HG1 ILE 39 5.756 -4.541 -7.134 98 HG21 ILE 39 1HG2 ILE 39 2.205 -4.920 -8.413 99 HG22 ILE 39 2HG2 ILE 39 2.345 -6.023 -7.046 100 HG23 ILE 39 3HG2 ILE 39 1.455 -4.516 -6.854 101 HD11 ILE 39 3HD1 ILE 39 5.039 -6.015 -5.280 102 HD12 ILE 39 1HD1 ILE 39 4.182 -7.037 -6.458 103 HD13 ILE 39 2HD1 ILE 39 5.937 -6.843 -6.571 104 H LEU 40 H LEU 40 3.490 -1.090 -5.724 105 HA LEU 40 HA LEU 40 0.690 -0.476 -5.825 106 HB2 LEU 40 2HB LEU 40 3.120 1.131 -4.919 107 HB3 LEU 40 3HB LEU 40 1.484 1.748 -4.847 108 HG LEU 40 HG LEU 40 2.659 -0.623 -3.355 109 HD11 LEU 40 1HD1 LEU 40 1.282 1.908 -2.376 110 HD12 LEU 40 2HD1 LEU 40 3.035 1.712 -2.538 111 HD13 LEU 40 3HD1 LEU 40 2.139 0.695 -1.394 112 HD21 LEU 40 3HD2 LEU 40 0.429 -0.825 -2.199 113 HD22 LEU 40 1HD2 LEU 40 0.458 -1.415 -3.857 114 HD23 LEU 40 2HD2 LEU 40 -0.264 0.171 -3.502 115 H LYS 41 H LYS 41 3.396 1.033 -7.662 116 HA LYS 41 HA LYS 41 1.773 2.979 -8.940 117 HB2 LYS 41 2HB LYS 41 4.180 1.698 -10.244 118 HB3 LYS 41 3HB LYS 41 3.441 3.289 -10.566 119 HG2 LYS 41 2HG LYS 41 3.841 3.549 -7.936 120 HG3 LYS 41 3HG LYS 41 5.078 2.359 -8.289 121 HD2 LYS 41 2HD LYS 41 6.061 3.866 -10.013 122 HD3 LYS 41 3HD LYS 41 4.879 5.116 -9.537 123 HE2 LYS 41 2HE LYS 41 5.721 4.945 -7.181 124 HE3 LYS 41 3HE LYS 41 6.924 3.764 -7.718 125 HZ1 LYS 41 3HZ LYS 41 7.866 5.971 -7.559 126 HZ2 LYS 41 1HZ LYS 41 6.773 6.591 -8.617 127 HZ3 LYS 41 2HZ LYS 41 7.900 5.498 -9.133 128 H GLU 42 H GLU 42 2.041 -0.475 -9.666 129 HA GLU 42 HA GLU 42 0.762 -0.335 -12.188 130 HB2 GLU 42 2HB GLU 42 1.878 -2.247 -10.290 131 HB3 GLU 42 3HB GLU 42 1.092 -2.824 -11.624 132 HG2 GLU 42 2HG GLU 42 2.699 -1.658 -12.995 133 HG3 GLU 42 3HG GLU 42 3.591 -1.120 -11.584 134 H LYS 43 H LYS 43 -0.071 -1.483 -8.884 135 HA LYS 43 HA LYS 43 -2.701 -2.220 -9.834 136 HB2 LYS 43 2HB LYS 43 -1.771 -1.783 -6.967 137 HB3 LYS 43 3HB LYS 43 -3.305 -2.495 -7.505 138 HG2 LYS 43 2HG LYS 43 -0.588 -3.721 -7.937 139 HG3 LYS 43 3HG LYS 43 -1.793 -4.197 -6.746 140 HD2 LYS 43 2HD LYS 43 -3.379 -4.876 -8.392 141 HD3 LYS 43 3HD LYS 43 -2.392 -4.219 -9.689 142 HE2 LYS 43 2HE LYS 43 -0.585 -5.938 -8.946 143 HE3 LYS 43 3HE LYS 43 -1.909 -6.711 -8.047 144 HZ1 LYS 43 3HZ LYS 43 -1.708 -6.212 -10.949 145 HZ2 LYS 43 1HZ LYS 43 -3.145 -6.631 -10.251 146 HZ3 LYS 43 2HZ LYS 43 -1.842 -7.669 -10.241 147 H PHE 44 H PHE 44 -1.198 0.699 -8.661 148 HA PHE 44 HA PHE 44 -3.745 2.069 -9.157 149 HB2 PHE 44 2HB PHE 44 -1.791 2.815 -6.932 150 HB3 PHE 44 3HB PHE 44 -3.403 3.475 -7.192 151 HD1 PHE 44 1HD PHE 44 -5.407 1.974 -6.997 152 HD2 PHE 44 2HD PHE 44 -1.521 0.774 -5.576 153 HE1 PHE 44 1HE PHE 44 -6.429 0.101 -5.725 154 HE2 PHE 44 2HE PHE 44 -2.533 -1.118 -4.358 155 HZ PHE 44 HZ PHE 44 -4.994 -1.455 -4.429 156 HA PRO 45 HA PRO 45 -0.617 4.313 -11.779 157 HB2 PRO 45 2HB PRO 45 -1.752 3.751 -14.237 158 HB3 PRO 45 3HB PRO 45 -0.509 2.730 -13.455 159 HG2 PRO 45 2HG PRO 45 -3.522 2.383 -13.327 160 HG3 PRO 45 3HG PRO 45 -2.287 1.160 -13.760 161 HD2 PRO 45 2HD PRO 45 -3.142 1.161 -11.289 162 HD3 PRO 45 3HD PRO 45 -1.441 1.126 -11.483 163 H ARG 46 H ARG 46 -4.102 4.318 -11.363 164 HA ARG 46 HA ARG 46 -4.360 6.990 -12.542 165 HB2 ARG 46 2HB ARG 46 -6.223 5.351 -10.788 166 HB3 ARG 46 3HB ARG 46 -6.653 6.881 -11.516 167 HG2 ARG 46 2HG ARG 46 -5.952 4.350 -13.064 168 HG3 ARG 46 3HG ARG 46 -7.568 4.964 -12.713 169 HD2 ARG 46 2HD ARG 46 -6.907 7.103 -13.942 170 HD3 ARG 46 3HD ARG 46 -5.457 6.227 -14.483 171 HE ARG 46 HE ARG 46 -8.076 4.912 -14.934 172 HH11 ARG 46 1HH1 ARG 46 -5.793 7.029 -16.526 173 HH12 ARG 46 2HH1 ARG 46 -6.217 6.420 -18.115 174 HH21 ARG 46 2HH2 ARG 46 -8.109 5.174 -18.257 175 HH22 ARG 46 1HH2 ARG 46 -8.784 4.480 -16.789 176 H ALA 47 H ALA 47 -3.197 5.943 -9.484 177 HA ALA 47 HA ALA 47 -4.445 7.588 -7.678 178 HB1 ALA 47 1HB ALA 47 -1.595 6.536 -7.627 179 HB2 ALA 47 2HB ALA 47 -2.513 7.099 -6.218 180 HB3 ALA 47 3HB ALA 47 -3.063 5.674 -7.103 181 H THR 48 H THR 48 -4.157 9.453 -6.557 182 HA THR 48 HA THR 48 -2.440 11.545 -7.866 183 HB THR 48 HB THR 48 -3.751 13.190 -6.677 184 HG1 THR 48 1HG THR 48 -5.478 12.625 -5.517 185 HG21 THR 48 1HG2 THR 48 -4.483 12.407 -8.952 186 HG22 THR 48 2HG2 THR 48 -5.808 13.019 -7.944 187 HG23 THR 48 3HG2 THR 48 -5.595 11.270 -8.161 188 H ALA 49 H ALA 49 -2.913 9.783 -4.815 189 HA ALA 49 HA ALA 49 -0.155 10.718 -4.156 190 HB1 ALA 49 1HB ALA 49 -1.726 11.711 -2.539 191 HB2 ALA 49 2HB ALA 49 -2.341 10.089 -2.143 192 HB3 ALA 49 3HB ALA 49 -0.662 10.512 -1.772 193 H ILE 50 H ILE 50 1.316 9.173 -3.678 194 HA ILE 50 HA ILE 50 0.631 6.457 -2.883 195 HB ILE 50 HB ILE 50 2.330 5.615 -4.772 196 HG12 ILE 50 2HG1 ILE 50 0.769 7.681 -6.374 197 HG13 ILE 50 3HG1 ILE 50 2.459 7.872 -5.898 198 HG21 ILE 50 1HG2 ILE 50 0.489 4.597 -5.925 199 HG22 ILE 50 2HG2 ILE 50 0.122 4.679 -4.202 200 HG23 ILE 50 3HG2 ILE 50 -0.627 5.836 -5.328 201 HD11 ILE 50 3HD1 ILE 50 1.354 5.683 -7.708 202 HD12 ILE 50 1HD1 ILE 50 2.356 7.059 -8.178 203 HD13 ILE 50 2HD1 ILE 50 3.041 5.793 -7.143 204 H LYS 51 H LYS 51 1.962 6.198 -1.219 205 HA LYS 51 HA LYS 51 4.876 6.325 -1.651 206 HB2 LYS 51 2HB LYS 51 5.285 7.621 0.352 207 HB3 LYS 51 3HB LYS 51 4.449 8.531 -0.890 208 HG2 LYS 51 2HG LYS 51 2.335 7.528 0.621 209 HG3 LYS 51 3HG LYS 51 3.585 7.720 1.846 210 HD2 LYS 51 2HD LYS 51 2.335 9.754 1.792 211 HD3 LYS 51 3HD LYS 51 3.887 10.095 0.979 212 HE2 LYS 51 2HE LYS 51 2.866 9.871 -1.207 213 HE3 LYS 51 3HE LYS 51 1.347 9.290 -0.514 214 HZ1 LYS 51 3HZ LYS 51 0.894 11.415 0.354 215 HZ2 LYS 51 1HZ LYS 51 1.444 11.681 -1.196 216 HZ3 LYS 51 2HZ LYS 51 2.424 11.983 0.066 217 H VAL 52 H VAL 52 6.089 5.188 -0.087 218 HA VAL 52 HA VAL 52 4.650 3.369 1.776 219 HB VAL 52 HB VAL 52 6.995 2.448 0.076 220 HG11 VAL 52 1HG1 VAL 52 6.740 1.178 2.147 221 HG12 VAL 52 2HG1 VAL 52 5.027 0.897 1.799 222 HG13 VAL 52 3HG1 VAL 52 6.287 0.184 0.768 223 HG21 VAL 52 3HG2 VAL 52 5.441 1.084 -1.243 224 HG22 VAL 52 1HG2 VAL 52 4.057 1.853 -0.406 225 HG23 VAL 52 2HG2 VAL 52 5.135 2.786 -1.482 226 H THR 53 H THR 53 5.700 3.026 3.742 227 HA THR 53 HA THR 53 8.565 3.887 3.925 228 HB THR 53 HB THR 53 6.358 4.716 5.869 229 HG1 THR 53 1HG THR 53 6.314 6.239 4.394 230 HG21 THR 53 1HG2 THR 53 8.275 4.345 7.190 231 HG22 THR 53 2HG2 THR 53 8.153 6.087 6.936 232 HG23 THR 53 3HG2 THR 53 9.338 5.124 6.015 233 H ASP 54 H ASP 54 9.817 2.442 4.758 234 HA ASP 54 HA ASP 54 8.835 0.067 6.270 235 HB2 ASP 54 2HB ASP 54 10.919 -0.166 4.872 236 HB3 ASP 54 3HB ASP 54 11.519 1.326 5.428 237 H ILE 55 H ILE 55 8.492 -0.045 8.248 238 HA ILE 55 HA ILE 55 9.518 1.976 10.168 239 HB ILE 55 HB ILE 55 7.356 2.079 11.296 240 HG12 ILE 55 2HG1 ILE 55 6.386 0.254 9.061 241 HG13 ILE 55 3HG1 ILE 55 6.232 0.122 10.738 242 HG21 ILE 55 1HG2 ILE 55 8.124 3.727 9.552 243 HG22 ILE 55 2HG2 ILE 55 7.057 2.900 8.397 244 HG23 ILE 55 3HG2 ILE 55 6.384 3.691 9.833 245 HD11 ILE 55 3HD1 ILE 55 4.585 2.071 10.701 246 HD12 ILE 55 1HD1 ILE 55 4.782 2.149 8.947 247 HD13 ILE 55 2HD1 ILE 55 4.073 0.706 9.691 248 H SER 56 H SER 56 10.526 -0.472 9.377 249 HA SER 56 HA SER 56 10.622 -2.035 11.870 250 HB2 SER 56 2HB SER 56 8.838 -2.907 10.469 251 HB3 SER 56 3HB SER 56 9.954 -3.211 9.172 252 HG SER 56 HG SER 56 10.694 -4.232 11.669 253 H GLY 57 H GLY 57 12.574 -0.371 11.438 254 HA2 GLY 57 2HA GLY 57 14.701 -0.842 9.727 255 HA3 GLY 57 3HA GLY 57 14.810 -0.179 11.334 256 H GLY 58 H GLY 58 13.751 -3.217 11.873 257 HA2 GLY 58 2HA GLY 58 16.381 -4.600 11.867 258 HA3 GLY 58 3HA GLY 58 15.578 -4.327 13.419 259 H CYS 59 H CYS 59 13.685 -4.960 10.549 260 HA CYS 59 HA CYS 59 13.649 -7.828 10.668 261 HB2 CYS 59 2HB CYS 59 12.067 -6.867 12.661 262 HB3 CYS 59 3HB CYS 59 10.908 -6.766 11.346 263 HG CYS 59 HG CYS 59 11.206 -9.272 10.521 264 H GLY 60 H GLY 60 12.320 -4.803 9.519 265 HA2 GLY 60 2HA GLY 60 11.196 -4.081 7.803 266 HA3 GLY 60 3HA GLY 60 12.006 -5.336 6.813 267 H ALA 61 H ALA 61 9.627 -5.708 9.437 268 HA ALA 61 HA ALA 61 7.790 -7.243 7.658 269 HB1 ALA 61 1HB ALA 61 8.564 -8.270 9.750 270 HB2 ALA 61 2HB ALA 61 7.929 -6.891 10.679 271 HB3 ALA 61 3HB ALA 61 6.815 -7.971 9.805 272 H MET 62 H MET 62 7.828 -4.241 9.585 273 HA MET 62 HA MET 62 4.972 -3.717 8.937 274 HB2 MET 62 2HB MET 62 6.915 -2.344 10.854 275 HB3 MET 62 3HB MET 62 5.311 -1.750 10.442 276 HG2 MET 62 2HG MET 62 4.251 -3.041 11.695 277 HG3 MET 62 3HG MET 62 5.172 -4.513 11.330 278 HE1 MET 62 3HE MET 62 8.177 -3.650 12.445 279 HE2 MET 62 1HE MET 62 8.006 -4.391 14.046 280 HE3 MET 62 2HE MET 62 7.353 -5.222 12.616 281 H TYR 63 H TYR 63 4.330 -2.161 7.636 282 HA TYR 63 HA TYR 63 6.194 -0.068 6.766 283 HB2 TYR 63 2HB TYR 63 4.612 -1.715 4.807 284 HB3 TYR 63 3HB TYR 63 5.405 -0.280 4.418 285 HD1 TYR 63 HD1 TYR 63 5.751 -3.816 5.340 286 HD2 TYR 63 HD2 TYR 63 7.922 -0.320 4.024 287 HE1 TYR 63 HE1 TYR 63 7.736 -5.218 4.902 288 HE2 TYR 63 HE2 TYR 63 9.945 -1.691 3.739 289 HH TYR 63 HH TYR 63 9.946 -5.187 4.614 290 H GLU 64 H GLU 64 5.265 1.806 6.237 291 HA GLU 64 HA GLU 64 2.384 2.335 6.668 292 HB2 GLU 64 2HB GLU 64 4.621 3.801 7.275 293 HB3 GLU 64 3HB GLU 64 4.310 4.394 5.641 294 HG2 GLU 64 2HG GLU 64 2.004 4.990 6.335 295 HG3 GLU 64 3HG GLU 64 2.372 4.408 7.955 296 H ILE 65 H ILE 65 0.968 2.610 4.898 297 HA ILE 65 HA ILE 65 2.150 3.246 2.238 298 HB ILE 65 HB ILE 65 0.026 1.121 2.715 299 HG12 ILE 65 2HG1 ILE 65 2.762 0.917 1.381 300 HG13 ILE 65 3HG1 ILE 65 2.395 0.367 3.014 301 HG21 ILE 65 1HG2 ILE 65 -0.599 2.479 0.778 302 HG22 ILE 65 2HG2 ILE 65 1.058 2.393 0.136 303 HG23 ILE 65 3HG2 ILE 65 0.016 0.954 0.188 304 HD11 ILE 65 3HD1 ILE 65 1.288 -0.802 0.436 305 HD12 ILE 65 1HD1 ILE 65 2.378 -1.550 1.598 306 HD13 ILE 65 2HD1 ILE 65 0.695 -1.217 2.065 307 H LYS 66 H LYS 66 1.255 5.016 1.428 308 HA LYS 66 HA LYS 66 -1.529 5.810 2.239 309 HB2 LYS 66 2HB LYS 66 0.995 7.458 2.244 310 HB3 LYS 66 3HB LYS 66 -0.571 8.228 2.001 311 HG2 LYS 66 2HG LYS 66 -1.321 7.654 4.148 312 HG3 LYS 66 3HG LYS 66 -0.082 6.401 4.365 313 HD2 LYS 66 2HD LYS 66 1.665 8.090 4.532 314 HD3 LYS 66 3HD LYS 66 0.483 9.393 4.261 315 HE2 LYS 66 2HE LYS 66 -0.628 8.981 6.329 316 HE3 LYS 66 3HE LYS 66 0.101 7.377 6.497 317 HZ1 LYS 66 3HZ LYS 66 1.585 9.947 6.773 318 HZ2 LYS 66 1HZ LYS 66 2.260 8.449 6.818 319 HZ3 LYS 66 2HZ LYS 66 1.211 8.906 7.979 320 H ILE 67 H ILE 67 -2.814 5.656 0.583 321 HA ILE 67 HA ILE 67 -1.846 6.307 -2.119 322 HB ILE 67 HB ILE 67 -4.003 4.299 -1.600 323 HG12 ILE 67 2HG1 ILE 67 -1.021 3.900 -1.421 324 HG13 ILE 67 3HG1 ILE 67 -2.329 3.250 -0.517 325 HG21 ILE 67 1HG2 ILE 67 -2.220 4.878 -3.982 326 HG22 ILE 67 2HG2 ILE 67 -3.450 3.595 -3.912 327 HG23 ILE 67 3HG2 ILE 67 -3.939 5.262 -3.862 328 HD11 ILE 67 3HD1 ILE 67 -1.492 2.477 -3.355 329 HD12 ILE 67 1HD1 ILE 67 -1.162 1.587 -1.881 330 HD13 ILE 67 2HD1 ILE 67 -2.847 1.737 -2.458 331 H GLU 68 H GLU 68 -3.498 7.335 -3.517 332 HA GLU 68 HA GLU 68 -6.269 7.627 -2.580 333 HB2 GLU 68 2HB GLU 68 -5.129 9.613 -1.642 334 HB3 GLU 68 3HB GLU 68 -4.424 9.921 -3.103 335 HG2 GLU 68 2HG GLU 68 -6.514 10.722 -4.097 336 HG3 GLU 68 3HG GLU 68 -7.483 10.049 -2.810 337 H SER 69 H SER 69 -7.598 7.425 -4.408 338 HA SER 69 HA SER 69 -6.594 8.038 -7.122 339 HB2 SER 69 2HB SER 69 -5.635 5.751 -6.591 340 HB3 SER 69 3HB SER 69 -7.258 5.191 -6.284 341 HG SER 69 HG SER 69 -6.773 4.687 -8.413 342 H GLU 70 H GLU 70 -8.348 8.387 -8.547 343 HA GLU 70 HA GLU 70 -10.887 8.758 -7.512 344 HB2 GLU 70 2HB GLU 70 -11.523 9.382 -9.562 345 HB3 GLU 70 3HB GLU 70 -9.842 9.806 -9.496 346 HG2 GLU 70 2HG GLU 70 -9.220 7.852 -10.780 347 HG3 GLU 70 3HG GLU 70 -10.882 7.264 -10.834 348 H GLU 71 H GLU 71 -9.549 5.754 -8.529 349 HA GLU 71 HA GLU 71 -11.983 4.380 -9.199 350 HB2 GLU 71 2HB GLU 71 -10.650 2.515 -9.505 351 HB3 GLU 71 3HB GLU 71 -9.567 3.855 -9.868 352 HG2 GLU 71 2HG GLU 71 -8.946 3.657 -7.288 353 HG3 GLU 71 3HG GLU 71 -9.635 2.046 -7.432 354 H PHE 72 H PHE 72 -10.620 5.194 -6.090 355 HA PHE 72 HA PHE 72 -11.598 2.836 -4.721 356 HB2 PHE 72 2HB PHE 72 -10.208 5.398 -3.974 357 HB3 PHE 72 3HB PHE 72 -10.863 4.401 -2.717 358 HD1 PHE 72 1HD PHE 72 -7.932 5.272 -3.819 359 HD2 PHE 72 2HD PHE 72 -10.220 1.639 -3.433 360 HE1 PHE 72 1HE PHE 72 -5.838 3.972 -3.554 361 HE2 PHE 72 2HE PHE 72 -8.130 0.343 -3.196 362 HZ PHE 72 HZ PHE 72 -5.927 1.524 -3.240 363 H LYS 73 H LYS 73 -13.624 4.796 -6.034 364 HA LYS 73 HA LYS 73 -15.078 5.871 -3.732 365 HB2 LYS 73 2HB LYS 73 -16.771 6.653 -5.373 366 HB3 LYS 73 3HB LYS 73 -15.163 7.295 -5.615 367 HG2 LYS 73 2HG LYS 73 -14.772 5.882 -7.523 368 HG3 LYS 73 3HG LYS 73 -16.236 4.937 -7.221 369 HD2 LYS 73 2HD LYS 73 -17.679 6.748 -7.767 370 HD3 LYS 73 3HD LYS 73 -16.340 7.927 -7.796 371 HE2 LYS 73 2HE LYS 73 -15.316 6.773 -9.714 372 HE3 LYS 73 3HE LYS 73 -16.566 5.530 -9.651 373 HZ1 LYS 73 3HZ LYS 73 -18.200 7.362 -10.141 374 HZ2 LYS 73 1HZ LYS 73 -17.137 7.053 -11.345 375 HZ3 LYS 73 2HZ LYS 73 -16.932 8.383 -10.404 376 H GLU 74 H GLU 74 -15.640 3.196 -5.948 377 HA GLU 74 HA GLU 74 -18.186 2.539 -4.682 378 HB2 GLU 74 2HB GLU 74 -18.390 0.841 -6.360 379 HB3 GLU 74 3HB GLU 74 -17.905 2.385 -7.076 380 HG2 GLU 74 2HG GLU 74 -15.592 1.605 -7.322 381 HG3 GLU 74 3HG GLU 74 -15.976 0.074 -6.534 382 H LYS 75 H LYS 75 -16.226 2.561 -2.769 383 HA LYS 75 HA LYS 75 -16.048 -0.261 -1.851 384 HB2 LYS 75 2HB LYS 75 -13.824 1.822 -1.864 385 HB3 LYS 75 3HB LYS 75 -13.701 0.204 -1.176 386 HG2 LYS 75 2HG LYS 75 -14.145 0.793 -4.136 387 HG3 LYS 75 3HG LYS 75 -12.589 0.509 -3.397 388 HD2 LYS 75 2HD LYS 75 -13.055 -1.759 -2.914 389 HD3 LYS 75 3HD LYS 75 -14.809 -1.559 -3.110 390 HE2 LYS 75 2HE LYS 75 -14.610 -1.174 -5.432 391 HE3 LYS 75 3HE LYS 75 -12.832 -1.168 -5.369 392 HZ1 LYS 75 3HZ LYS 75 -12.954 -3.549 -4.678 393 HZ2 LYS 75 1HZ LYS 75 -13.756 -3.352 -6.121 394 HZ3 LYS 75 2HZ LYS 75 -14.588 -3.481 -4.744 395 H ARG 76 H ARG 76 -16.281 -0.623 0.265 396 HA ARG 76 HA ARG 76 -16.616 1.462 2.218 397 HB2 ARG 76 2HB ARG 76 -15.848 -1.453 2.631 398 HB3 ARG 76 3HB ARG 76 -16.552 -0.327 3.706 399 HG2 ARG 76 2HG ARG 76 -18.637 -0.269 2.185 400 HG3 ARG 76 3HG ARG 76 -17.968 -1.773 1.502 401 HD2 ARG 76 2HD ARG 76 -17.816 -2.695 3.825 402 HD3 ARG 76 3HD ARG 76 -18.549 -1.198 4.442 403 HE ARG 76 HE ARG 76 -20.333 -2.212 2.512 404 HH11 ARG 76 1HH1 ARG 76 -19.127 -3.350 5.650 405 HH12 ARG 76 2HH1 ARG 76 -20.553 -4.392 5.809 406 HH21 ARG 76 2HH2 ARG 76 -22.035 -4.509 4.361 407 HH22 ARG 76 1HH2 ARG 76 -21.990 -3.546 2.871 408 H THR 77 H THR 77 -15.067 1.626 4.029 409 HA THR 77 HA THR 77 -12.368 2.018 3.711 410 HB THR 77 HB THR 77 -13.910 0.799 6.001 411 HG1 THR 77 1HG THR 77 -14.240 2.866 6.622 412 HG21 THR 77 1HG2 THR 77 -11.523 0.557 6.525 413 HG22 THR 77 2HG2 THR 77 -12.170 1.894 7.479 414 HG23 THR 77 3HG2 THR 77 -11.204 2.239 6.026 415 H VAL 78 H VAL 78 -13.685 -1.086 4.889 416 HA VAL 78 HA VAL 78 -11.322 -2.619 4.705 417 HB VAL 78 HB VAL 78 -13.164 -3.371 5.968 418 HG11 VAL 78 1HG1 VAL 78 -14.808 -3.706 3.447 419 HG12 VAL 78 2HG1 VAL 78 -15.279 -4.143 5.096 420 HG13 VAL 78 3HG1 VAL 78 -15.037 -2.445 4.689 421 HG21 VAL 78 3HG2 VAL 78 -11.697 -5.115 5.016 422 HG22 VAL 78 1HG2 VAL 78 -13.338 -5.685 5.365 423 HG23 VAL 78 2HG2 VAL 78 -12.859 -5.349 3.691 424 H GLN 79 H GLN 79 -13.772 -2.082 2.188 425 HA GLN 79 HA GLN 79 -12.473 -3.959 0.384 426 HB2 GLN 79 2HB GLN 79 -14.665 -1.971 -0.305 427 HB3 GLN 79 3HB GLN 79 -14.096 -3.347 -1.261 428 HG2 GLN 79 2HG GLN 79 -14.675 -4.644 1.034 429 HG3 GLN 79 3HG GLN 79 -15.867 -3.345 1.138 430 HE21 GLN 79 2HE2 GLN 79 -17.570 -4.659 -1.877 431 HE22 GLN 79 1HE2 GLN 79 -17.267 -3.110 -1.092 432 H GLN 80 H GLN 80 -12.033 -0.500 0.965 433 HA GLN 80 HA GLN 80 -10.250 -0.098 -1.318 434 HB2 GLN 80 2HB GLN 80 -10.393 1.297 1.395 435 HB3 GLN 80 3HB GLN 80 -9.317 1.760 0.082 436 HG2 GLN 80 2HG GLN 80 -11.286 2.262 -1.357 437 HG3 GLN 80 3HG GLN 80 -12.354 1.837 -0.018 438 HE21 GLN 80 2HE2 GLN 80 -12.070 5.501 0.170 439 HE22 GLN 80 1HE2 GLN 80 -12.700 4.368 -1.037 440 H HIS 81 H HIS 81 -9.651 -0.848 2.191 441 HA HIS 81 HA HIS 81 -6.872 -1.161 2.110 442 HB2 HIS 81 2HB HIS 81 -8.909 -2.742 3.734 443 HB3 HIS 81 3HB HIS 81 -7.174 -2.753 4.008 444 HD1 HIS 81 1HD HIS 81 -9.610 -1.531 5.995 445 HD2 HIS 81 2HD HIS 81 -6.586 0.416 3.786 446 HE1 HIS 81 1HE HIS 81 -9.194 0.705 7.141 447 H GLN 82 H GLN 82 -9.231 -3.847 1.559 448 HA GLN 82 HA GLN 82 -7.555 -5.948 1.023 449 HB2 GLN 82 2HB GLN 82 -9.858 -6.319 1.116 450 HB3 GLN 82 3HB GLN 82 -10.201 -5.127 -0.136 451 HG2 GLN 82 2HG GLN 82 -10.550 -7.346 -0.970 452 HG3 GLN 82 3HG GLN 82 -9.289 -6.566 -1.875 453 HE21 GLN 82 2HE2 GLN 82 -8.331 -10.074 -1.410 454 HE22 GLN 82 1HE2 GLN 82 -9.400 -9.029 -2.369 455 H MET 83 H MET 83 -8.413 -3.414 -1.432 456 HA MET 83 HA MET 83 -7.186 -4.719 -3.634 457 HB2 MET 83 2HB MET 83 -7.448 -1.728 -3.102 458 HB3 MET 83 3HB MET 83 -7.217 -2.470 -4.691 459 HG2 MET 83 2HG MET 83 -9.341 -3.534 -4.563 460 HG3 MET 83 3HG MET 83 -9.596 -3.052 -2.912 461 HE1 MET 83 3HE MET 83 -8.387 -0.728 -5.956 462 HE2 MET 83 1HE MET 83 -9.512 -1.928 -6.620 463 HE3 MET 83 2HE MET 83 -9.982 -0.212 -6.534 464 H VAL 84 H VAL 84 -5.958 -2.373 -1.349 465 HA VAL 84 HA VAL 84 -3.262 -2.076 -2.409 466 HB VAL 84 HB VAL 84 -4.115 -1.480 0.440 467 HG11 VAL 84 1HG1 VAL 84 -2.065 -0.348 -1.461 468 HG12 VAL 84 2HG1 VAL 84 -2.616 0.624 -0.088 469 HG13 VAL 84 3HG1 VAL 84 -1.831 -0.967 0.180 470 HG21 VAL 84 3HG2 VAL 84 -4.700 0.218 -1.987 471 HG22 VAL 84 1HG2 VAL 84 -5.875 -0.491 -0.847 472 HG23 VAL 84 2HG2 VAL 84 -4.801 0.767 -0.293 473 H ASN 85 H ASN 85 -4.799 -4.294 -0.177 474 HA ASN 85 HA ASN 85 -2.390 -5.379 1.104 475 HB2 ASN 85 2HB ASN 85 -5.354 -5.943 1.017 476 HB3 ASN 85 3HB ASN 85 -4.285 -7.251 1.521 477 HD21 ASN 85 2HD2 ASN 85 -4.816 -4.025 3.957 478 HD22 ASN 85 1HD2 ASN 85 -5.010 -3.845 2.215 479 H GLN 86 H GLN 86 -4.685 -6.460 -1.465 480 HA GLN 86 HA GLN 86 -3.252 -8.848 -2.186 481 HB2 GLN 86 2HB GLN 86 -5.529 -7.082 -3.139 482 HB3 GLN 86 3HB GLN 86 -4.693 -7.865 -4.408 483 HG2 GLN 86 2HG GLN 86 -5.974 -9.251 -2.034 484 HG3 GLN 86 3HG GLN 86 -6.655 -9.161 -3.658 485 HE21 GLN 86 2HE2 GLN 86 -4.011 -12.090 -2.846 486 HE22 GLN 86 1HE2 GLN 86 -4.897 -11.163 -1.611 487 H ALA 87 H ALA 87 -2.605 -5.485 -2.978 488 HA ALA 87 HA ALA 87 -1.355 -5.807 -5.483 489 HB1 ALA 87 1HB ALA 87 -1.945 -3.620 -4.389 490 HB2 ALA 87 2HB ALA 87 -0.646 -3.883 -3.204 491 HB3 ALA 87 3HB ALA 87 -0.248 -3.669 -4.916 492 H LEU 88 H LEU 88 -0.037 -6.197 -2.197 493 HA LEU 88 HA LEU 88 2.442 -7.356 -3.409 494 HB2 LEU 88 2HB LEU 88 3.786 -6.309 -1.935 495 HB3 LEU 88 3HB LEU 88 2.729 -5.099 -2.624 496 HG LEU 88 HG LEU 88 2.946 -4.390 -0.449 497 HD11 LEU 88 1HD1 LEU 88 0.919 -4.644 0.789 498 HD12 LEU 88 2HD1 LEU 88 0.491 -6.111 -0.094 499 HD13 LEU 88 3HD1 LEU 88 0.536 -4.529 -0.932 500 HD21 LEU 88 3HD2 LEU 88 4.149 -6.398 0.315 501 HD22 LEU 88 1HD2 LEU 88 2.570 -7.155 0.684 502 HD23 LEU 88 2HD2 LEU 88 3.070 -5.688 1.530 503 H LYS 89 H LYS 89 -0.142 -8.443 -1.908 504 HA LYS 89 HA LYS 89 0.664 -9.936 0.328 505 HB2 LYS 89 2HB LYS 89 -1.636 -9.694 -0.212 506 HB3 LYS 89 3HB LYS 89 -1.449 -10.445 -1.796 507 HG2 LYS 89 2HG LYS 89 -1.217 -12.578 -0.956 508 HG3 LYS 89 3HG LYS 89 -0.580 -12.039 0.572 509 HD2 LYS 89 2HD LYS 89 -3.481 -11.788 -0.197 510 HD3 LYS 89 3HD LYS 89 -2.771 -13.090 0.784 511 HE2 LYS 89 2HE LYS 89 -1.852 -11.218 2.293 512 HE3 LYS 89 3HE LYS 89 -2.958 -10.133 1.438 513 HZ1 LYS 89 3HZ LYS 89 -4.794 -11.625 2.180 514 HZ2 LYS 89 1HZ LYS 89 -3.998 -10.904 3.393 515 HZ3 LYS 89 2HZ LYS 89 -3.693 -12.493 3.084 516 H GLU 90 H GLU 90 1.187 -10.757 -3.115 517 HA GLU 90 HA GLU 90 2.024 -13.396 -2.364 518 HB2 GLU 90 2HB GLU 90 1.614 -11.837 -4.865 519 HB3 GLU 90 3HB GLU 90 2.964 -12.924 -4.941 520 HG2 GLU 90 2HG GLU 90 1.477 -14.762 -4.114 521 HG3 GLU 90 3HG GLU 90 0.121 -13.645 -4.138 522 H GLU 91 H GLU 91 3.615 -10.333 -2.675 523 HA GLU 91 HA GLU 91 6.369 -11.304 -2.750 524 HB2 GLU 91 2HB GLU 91 4.933 -8.632 -2.601 525 HB3 GLU 91 3HB GLU 91 6.626 -8.751 -2.229 526 HG2 GLU 91 2HG GLU 91 6.250 -8.042 -4.510 527 HG3 GLU 91 3HG GLU 91 7.162 -9.542 -4.434 528 H ILE 92 H ILE 92 4.385 -9.463 -0.367 529 HA ILE 92 HA ILE 92 5.756 -10.811 1.915 530 HB ILE 92 HB ILE 92 5.370 -7.809 1.654 531 HG12 ILE 92 2HG1 ILE 92 7.862 -9.564 1.656 532 HG13 ILE 92 3HG1 ILE 92 7.277 -8.550 0.334 533 HG21 ILE 92 1HG2 ILE 92 4.923 -8.651 3.957 534 HG22 ILE 92 2HG2 ILE 92 6.489 -9.485 3.939 535 HG23 ILE 92 3HG2 ILE 92 6.390 -7.708 3.905 536 HD11 ILE 92 3HD1 ILE 92 9.104 -7.414 1.335 537 HD12 ILE 92 1HD1 ILE 92 7.619 -6.533 1.776 538 HD13 ILE 92 2HD1 ILE 92 8.421 -7.597 2.960 539 H LYS 93 H LYS 93 3.980 -11.989 2.576 540 HA LYS 93 HA LYS 93 1.361 -10.932 2.200 541 HB2 LYS 93 2HB LYS 93 0.636 -13.020 2.910 542 HB3 LYS 93 3HB LYS 93 2.073 -13.329 1.948 543 HG2 LYS 93 2HG LYS 93 3.346 -13.708 4.054 544 HG3 LYS 93 3HG LYS 93 1.887 -13.353 4.989 545 HD2 LYS 93 2HD LYS 93 1.978 -15.670 4.981 546 HD3 LYS 93 3HD LYS 93 0.756 -15.312 3.767 547 HE2 LYS 93 2HE LYS 93 2.273 -15.834 1.952 548 HE3 LYS 93 3HE LYS 93 3.676 -15.718 3.027 549 HZ1 LYS 93 3HZ LYS 93 1.651 -17.892 3.149 550 HZ2 LYS 93 1HZ LYS 93 2.880 -17.675 4.207 551 HZ3 LYS 93 2HZ LYS 93 3.196 -18.022 2.632 552 H GLU 94 H GLU 94 3.416 -10.651 4.884 553 HA GLU 94 HA GLU 94 1.793 -10.757 7.095 554 HB2 GLU 94 2HB GLU 94 4.482 -9.677 6.334 555 HB3 GLU 94 3HB GLU 94 3.884 -9.462 7.925 556 HG2 GLU 94 2HG GLU 94 5.176 -11.339 8.160 557 HG3 GLU 94 3HG GLU 94 3.530 -11.955 8.136 558 H MET 95 H MET 95 0.165 -9.067 5.522 559 HA MET 95 HA MET 95 0.479 -6.323 6.211 560 HB2 MET 95 2HB MET 95 -1.851 -7.899 5.168 561 HB3 MET 95 3HB MET 95 -2.115 -6.276 5.777 562 HG2 MET 95 2HG MET 95 -1.731 -6.047 3.448 563 HG3 MET 95 3HG MET 95 -0.371 -5.363 4.308 564 HE1 MET 95 3HE MET 95 -0.374 -9.311 1.951 565 HE2 MET 95 1HE MET 95 -1.430 -8.984 3.323 566 HE3 MET 95 2HE MET 95 -1.646 -8.074 1.818 567 H HIS 96 H HIS 96 -0.094 -8.696 8.474 568 HA HIS 96 HA HIS 96 -1.548 -7.161 10.402 569 HB2 HIS 96 2HB HIS 96 -0.828 -8.698 11.960 570 HB3 HIS 96 3HB HIS 96 -0.734 -9.655 10.496 571 HD1 HIS 96 1HD HIS 96 1.351 -8.362 13.323 572 HD2 HIS 96 2HD HIS 96 1.952 -9.893 9.457 573 HE1 HIS 96 1HE HIS 96 3.805 -9.066 13.199 574 H GLY 97 H GLY 97 1.692 -6.862 9.187 575 HA2 GLY 97 2HA GLY 97 2.621 -4.982 11.275 576 HA3 GLY 97 3HA GLY 97 3.493 -5.528 9.843 577 H LEU 98 H LEU 98 1.021 -4.804 8.202 578 HA LEU 98 HA LEU 98 2.147 -2.203 7.445 579 HB2 LEU 98 2HB LEU 98 0.337 -4.137 6.060 580 HB3 LEU 98 3HB LEU 98 0.545 -2.471 5.521 581 HG LEU 98 HG LEU 98 3.122 -2.913 5.806 582 HD11 LEU 98 1HD1 LEU 98 3.910 -5.093 5.287 583 HD12 LEU 98 2HD1 LEU 98 2.279 -5.759 5.251 584 HD13 LEU 98 3HD1 LEU 98 2.994 -5.179 6.784 585 HD21 LEU 98 3HD2 LEU 98 1.537 -4.077 3.532 586 HD22 LEU 98 1HD2 LEU 98 3.265 -3.619 3.506 587 HD23 LEU 98 2HD2 LEU 98 2.033 -2.371 3.789 588 H ARG 99 H ARG 99 1.257 -0.370 7.276 589 HA ARG 99 HA ARG 99 -1.288 0.275 8.754 590 HB2 ARG 99 2HB ARG 99 1.154 0.841 9.666 591 HB3 ARG 99 3HB ARG 99 0.999 2.217 8.578 592 HG2 ARG 99 2HG ARG 99 -1.262 2.681 9.713 593 HG3 ARG 99 3HG ARG 99 -0.851 1.393 10.855 594 HD2 ARG 99 2HD ARG 99 1.320 2.664 11.318 595 HD3 ARG 99 3HD ARG 99 0.627 3.975 10.344 596 HE ARG 99 HE ARG 99 -1.264 3.270 12.356 597 HH11 ARG 99 1HH1 ARG 99 1.856 4.870 12.146 598 HH12 ARG 99 2HH1 ARG 99 1.766 5.486 13.786 599 HH21 ARG 99 2HH2 ARG 99 -0.111 5.315 14.913 600 HH22 ARG 99 1HH2 ARG 99 -1.379 4.225 14.410 601 H ILE 100 H ILE 100 -2.695 0.425 7.081 602 HA ILE 100 HA ILE 100 -1.876 2.021 4.685 603 HB ILE 100 HB ILE 100 -4.107 -0.045 4.603 604 HG12 ILE 100 2HG1 ILE 100 -1.155 -0.659 4.359 605 HG13 ILE 100 3HG1 ILE 100 -2.420 -1.371 5.397 606 HG21 ILE 100 1HG2 ILE 100 -3.615 -0.051 2.196 607 HG22 ILE 100 2HG2 ILE 100 -3.981 1.556 2.729 608 HG23 ILE 100 3HG2 ILE 100 -2.287 1.100 2.445 609 HD11 ILE 100 3HD1 ILE 100 -2.068 -1.800 2.431 610 HD12 ILE 100 1HD1 ILE 100 -2.065 -2.995 3.742 611 HD13 ILE 100 2HD1 ILE 100 -3.574 -2.147 3.311 612 H PHE 101 H PHE 101 -2.768 3.388 3.799 613 HA PHE 101 HA PHE 101 -5.190 4.718 4.897 614 HB2 PHE 101 2HB PHE 101 -2.408 5.675 4.148 615 HB3 PHE 101 3HB PHE 101 -3.703 6.703 4.635 616 HD1 PHE 101 1HD PHE 101 -4.620 6.495 7.032 617 HD2 PHE 101 2HD PHE 101 -0.987 4.604 5.727 618 HE1 PHE 101 1HE PHE 101 -3.877 6.291 9.399 619 HE2 PHE 101 2HE PHE 101 -0.263 4.355 8.074 620 HZ PHE 101 HZ PHE 101 -1.695 5.234 9.927 621 H THR 102 H THR 102 -6.581 5.282 3.316 622 HA THR 102 HA THR 102 -5.832 5.647 0.420 623 HB THR 102 HB THR 102 -7.889 4.217 -0.075 624 HG1 THR 102 1HG THR 102 -8.950 3.670 1.595 625 HG21 THR 102 1HG2 THR 102 -5.654 3.272 -0.467 626 HG22 THR 102 2HG2 THR 102 -6.803 2.039 0.074 627 HG23 THR 102 3HG2 THR 102 -5.598 2.685 1.212 628 H SER 103 H SER 103 -7.322 6.707 -0.730 629 HA SER 103 HA SER 103 -9.814 7.636 0.374 630 HB2 SER 103 2HB SER 103 -9.062 10.086 -0.048 631 HB3 SER 103 3HB SER 103 -8.679 9.334 1.482 632 HG SER 103 HG SER 103 -7.076 10.463 -0.301 633 H VAL 104 H VAL 104 -10.775 9.289 -1.196 634 HA VAL 104 HA VAL 104 -9.934 8.705 -3.990 635 HB VAL 104 HB VAL 104 -11.487 6.997 -3.454 636 HG11 VAL 104 1HG1 VAL 104 -13.674 9.002 -2.944 637 HG12 VAL 104 2HG1 VAL 104 -13.732 7.226 -2.888 638 HG13 VAL 104 3HG1 VAL 104 -12.815 8.092 -1.666 639 HG21 VAL 104 3HG2 VAL 104 -12.955 7.230 -5.324 640 HG22 VAL 104 1HG2 VAL 104 -12.887 9.004 -5.246 641 HG23 VAL 104 2HG2 VAL 104 -11.455 8.051 -5.678 642 HA PRO 105 HA PRO 105 -11.095 12.990 -4.421 643 HB2 PRO 105 2HB PRO 105 -10.120 13.433 -6.927 644 HB3 PRO 105 3HB PRO 105 -9.058 13.295 -5.490 645 HG2 PRO 105 2HG PRO 105 -9.678 11.186 -7.568 646 HG3 PRO 105 3HG PRO 105 -8.109 11.548 -6.789 647 HD2 PRO 105 2HD PRO 105 -9.807 9.543 -5.982 648 HD3 PRO 105 3HD PRO 105 -8.575 10.292 -4.970 649 H LYS 106 H LYS 106 -13.206 13.547 -5.018 650 HA LYS 106 HA LYS 106 -14.650 11.949 -7.088 651 HB2 LYS 106 2HB LYS 106 -15.100 11.269 -4.725 652 HB3 LYS 106 3HB LYS 106 -15.666 12.918 -4.391 653 HG2 LYS 106 2HG LYS 106 -17.305 12.694 -6.201 654 HG3 LYS 106 3HG LYS 106 -16.793 11.018 -6.499 655 HD2 LYS 106 2HD LYS 106 -17.438 10.452 -4.133 656 HD3 LYS 106 3HD LYS 106 -18.038 12.115 -3.934 657 HE2 LYS 106 2HE LYS 106 -19.559 11.729 -5.913 658 HE3 LYS 106 3HE LYS 106 -19.025 10.036 -5.943 659 HZ1 LYS 106 3HZ LYS 106 -20.295 11.343 -3.603 660 HZ2 LYS 106 1HZ LYS 106 -19.929 9.751 -3.731 661 HZ3 LYS 106 2HZ LYS 106 -21.121 10.436 -4.665 662 H ARG 107 H ARG 107 -13.885 13.579 -8.454 663 HA ARG 107 HA ARG 107 -14.373 16.371 -8.276 664 HB2 ARG 107 2HB ARG 107 -12.685 15.072 -9.669 665 HB3 ARG 107 3HB ARG 107 -13.994 14.686 -10.791 666 HG2 ARG 107 2HG ARG 107 -14.325 17.089 -11.236 667 HG3 ARG 107 3HG ARG 107 -13.107 17.499 -10.011 668 HD2 ARG 107 2HD ARG 107 -11.416 16.201 -11.365 669 HD3 ARG 107 3HD ARG 107 -12.622 16.016 -12.640 670 HE ARG 107 HE ARG 107 -11.090 18.405 -11.927 671 HH11 ARG 107 1HH1 ARG 107 -13.966 17.405 -13.709 672 HH12 ARG 107 2HH1 ARG 107 -14.240 19.024 -14.301 673 HH21 ARG 107 2HH2 ARG 107 -12.704 20.662 -13.838 674 HH22 ARG 107 1HH2 ARG 107 -11.398 20.278 -12.735 Start of MODEL 12 1 H1 ALA 27 H1 ALA 27 12.936 8.190 5.708 2 H2 ALA 27 H2 ALA 27 12.946 9.487 6.720 3 H3 ALA 27 H3 ALA 27 11.965 8.207 7.046 4 HA ALA 27 HA ALA 27 14.891 8.138 6.984 5 HB1 ALA 27 1HB ALA 27 14.835 7.949 9.425 6 HB2 ALA 27 2HB ALA 27 14.083 9.467 8.895 7 HB3 ALA 27 3HB ALA 27 13.067 8.106 9.424 8 H THR 28 H THR 28 15.830 6.227 7.035 9 HA THR 28 HA THR 28 16.245 4.052 6.924 10 HB THR 28 HB THR 28 13.822 3.459 8.566 11 HG1 THR 28 1HG THR 28 14.712 4.651 9.982 12 HG21 THR 28 1HG2 THR 28 15.012 1.450 7.818 13 HG22 THR 28 2HG2 THR 28 15.325 1.717 9.533 14 HG23 THR 28 3HG2 THR 28 16.568 2.144 8.337 15 H GLN 29 H GLN 29 16.005 2.213 5.653 16 HA GLN 29 HA GLN 29 13.481 1.823 4.153 17 HB2 GLN 29 2HB GLN 29 16.001 2.902 2.992 18 HB3 GLN 29 3HB GLN 29 15.273 1.552 2.134 19 HG2 GLN 29 2HG GLN 29 14.086 3.122 1.117 20 HG3 GLN 29 3HG GLN 29 13.015 2.910 2.451 21 HE21 GLN 29 2HE2 GLN 29 13.073 6.484 2.437 22 HE22 GLN 29 1HE2 GLN 29 12.198 5.042 1.905 23 H THR 30 H THR 30 13.422 -0.101 2.890 24 HA THR 30 HA THR 30 15.266 -2.298 3.685 25 HB THR 30 HB THR 30 13.361 -3.874 3.394 26 HG1 THR 30 1HG THR 30 11.306 -2.952 3.594 27 HG21 THR 30 1HG2 THR 30 12.139 -3.233 5.531 28 HG22 THR 30 2HG2 THR 30 13.172 -1.807 5.579 29 HG23 THR 30 3HG2 THR 30 13.901 -3.416 5.648 30 H GLU 31 H GLU 31 14.986 -4.175 1.894 31 HA GLU 31 HA GLU 31 15.060 -3.105 -0.838 32 HB2 GLU 31 2HB GLU 31 14.800 -5.920 0.321 33 HB3 GLU 31 3HB GLU 31 14.918 -5.539 -1.390 34 HG2 GLU 31 2HG GLU 31 17.142 -4.454 -0.976 35 HG3 GLU 31 3HG GLU 31 17.050 -4.985 0.714 36 H GLY 32 H GLY 32 12.651 -4.281 1.406 37 HA2 GLY 32 2HA GLY 32 10.558 -4.969 -0.439 38 HA3 GLY 32 3HA GLY 32 10.400 -4.717 1.299 39 H GLU 33 H GLU 33 11.142 -1.950 1.512 40 HA GLU 33 HA GLU 33 8.903 -0.474 0.949 41 HB2 GLU 33 2HB GLU 33 11.266 -0.105 2.203 42 HB3 GLU 33 3HB GLU 33 11.663 0.792 0.770 43 HG2 GLU 33 2HG GLU 33 9.118 1.343 2.248 44 HG3 GLU 33 3HG GLU 33 10.628 1.837 2.967 45 H LEU 34 H LEU 34 11.747 -0.879 -1.126 46 HA LEU 34 HA LEU 34 10.911 0.747 -3.323 47 HB2 LEU 34 2HB LEU 34 12.792 -1.606 -3.542 48 HB3 LEU 34 3HB LEU 34 12.821 -0.072 -4.408 49 HG LEU 34 HG LEU 34 13.550 -0.596 -1.524 50 HD11 LEU 34 1HD1 LEU 34 15.829 0.043 -2.242 51 HD12 LEU 34 2HD1 LEU 34 15.250 0.261 -3.905 52 HD13 LEU 34 3HD1 LEU 34 15.228 -1.351 -3.153 53 HD21 LEU 34 3HD2 LEU 34 12.557 1.677 -1.714 54 HD22 LEU 34 1HD2 LEU 34 13.631 2.042 -3.073 55 HD23 LEU 34 2HD2 LEU 34 14.303 1.790 -1.446 56 H ARG 35 H ARG 35 10.977 -2.815 -2.906 57 HA ARG 35 HA ARG 35 9.783 -3.535 -5.392 58 HB2 ARG 35 2HB ARG 35 10.948 -5.113 -3.930 59 HB3 ARG 35 3HB ARG 35 9.750 -4.883 -2.662 60 HG2 ARG 35 2HG ARG 35 8.520 -6.517 -3.474 61 HG3 ARG 35 3HG ARG 35 8.220 -5.645 -4.945 62 HD2 ARG 35 2HD ARG 35 9.087 -7.617 -5.753 63 HD3 ARG 35 3HD ARG 35 10.451 -6.526 -5.856 64 HE ARG 35 HE ARG 35 10.021 -8.758 -3.929 65 HH11 ARG 35 1HH1 ARG 35 12.463 -6.579 -5.360 66 HH12 ARG 35 2HH1 ARG 35 13.702 -7.328 -4.359 67 HH21 ARG 35 2HH2 ARG 35 13.347 -8.918 -3.126 68 HH22 ARG 35 1HH2 ARG 35 11.759 -9.655 -2.905 69 H VAL 36 H VAL 36 8.245 -2.869 -2.261 70 HA VAL 36 HA VAL 36 5.588 -3.500 -3.059 71 HB VAL 36 HB VAL 36 6.702 -1.764 -0.815 72 HG11 VAL 36 1HG1 VAL 36 3.787 -2.377 -1.442 73 HG12 VAL 36 2HG1 VAL 36 4.373 -1.844 0.154 74 HG13 VAL 36 3HG1 VAL 36 4.537 -0.785 -1.246 75 HG21 VAL 36 3HG2 VAL 36 5.905 -3.643 0.578 76 HG22 VAL 36 1HG2 VAL 36 5.271 -4.461 -0.871 77 HG23 VAL 36 2HG2 VAL 36 7.008 -4.239 -0.668 78 H THR 37 H THR 37 7.487 -0.378 -2.922 79 HA THR 37 HA THR 37 5.450 1.295 -3.973 80 HB THR 37 HB THR 37 8.422 1.575 -4.350 81 HG1 THR 37 1HG THR 37 7.999 1.539 -2.198 82 HG21 THR 37 1HG2 THR 37 6.212 3.656 -4.491 83 HG22 THR 37 2HG2 THR 37 7.248 3.131 -5.836 84 HG23 THR 37 3HG2 THR 37 7.951 4.026 -4.486 85 H GLN 38 H GLN 38 7.912 -0.587 -5.635 86 HA GLN 38 HA GLN 38 7.374 0.258 -8.305 87 HB2 GLN 38 2HB GLN 38 8.859 -1.968 -6.980 88 HB3 GLN 38 3HB GLN 38 8.341 -2.289 -8.611 89 HG2 GLN 38 2HG GLN 38 10.463 -1.515 -8.829 90 HG3 GLN 38 3HG GLN 38 9.463 -0.110 -9.157 91 HE21 GLN 38 2HE2 GLN 38 10.733 1.756 -6.338 92 HE22 GLN 38 1HE2 GLN 38 9.464 1.668 -7.560 93 H ILE 39 H ILE 39 5.722 -2.209 -6.373 94 HA ILE 39 HA ILE 39 3.996 -3.001 -8.677 95 HB ILE 39 HB ILE 39 3.922 -3.902 -5.775 96 HG12 ILE 39 2HG1 ILE 39 4.994 -5.437 -8.185 97 HG13 ILE 39 3HG1 ILE 39 6.041 -4.530 -7.110 98 HG21 ILE 39 1HG2 ILE 39 2.497 -4.865 -8.309 99 HG22 ILE 39 2HG2 ILE 39 2.553 -5.805 -6.817 100 HG23 ILE 39 3HG2 ILE 39 1.747 -4.248 -6.817 101 HD11 ILE 39 3HD1 ILE 39 5.266 -5.889 -5.174 102 HD12 ILE 39 1HD1 ILE 39 4.339 -6.912 -6.291 103 HD13 ILE 39 2HD1 ILE 39 6.098 -6.819 -6.442 104 H LEU 40 H LEU 40 3.764 -0.906 -5.771 105 HA LEU 40 HA LEU 40 0.964 -0.417 -5.939 106 HB2 LEU 40 2HB LEU 40 3.313 1.329 -5.027 107 HB3 LEU 40 3HB LEU 40 1.659 1.904 -5.057 108 HG LEU 40 HG LEU 40 2.855 -0.338 -3.414 109 HD11 LEU 40 1HD1 LEU 40 2.166 1.025 -1.534 110 HD12 LEU 40 2HD1 LEU 40 1.359 2.181 -2.623 111 HD13 LEU 40 3HD1 LEU 40 3.124 1.999 -2.667 112 HD21 LEU 40 3HD2 LEU 40 0.743 -1.294 -3.943 113 HD22 LEU 40 1HD2 LEU 40 -0.090 0.261 -3.740 114 HD23 LEU 40 2HD2 LEU 40 0.587 -0.598 -2.334 115 H LYS 41 H LYS 41 3.555 1.052 -7.842 116 HA LYS 41 HA LYS 41 1.966 2.910 -9.256 117 HB2 LYS 41 2HB LYS 41 4.405 1.474 -10.380 118 HB3 LYS 41 3HB LYS 41 3.700 3.006 -10.942 119 HG2 LYS 41 2HG LYS 41 3.948 3.532 -8.291 120 HG3 LYS 41 3HG LYS 41 5.264 2.400 -8.496 121 HD2 LYS 41 2HD LYS 41 6.255 3.832 -10.277 122 HD3 LYS 41 3HD LYS 41 4.894 4.977 -10.083 123 HE2 LYS 41 2HE LYS 41 5.456 5.090 -7.627 124 HE3 LYS 41 3HE LYS 41 6.901 4.145 -7.938 125 HZ1 LYS 41 3HZ LYS 41 7.333 6.549 -7.927 126 HZ2 LYS 41 1HZ LYS 41 6.307 6.807 -9.179 127 HZ3 LYS 41 2HZ LYS 41 7.663 5.956 -9.438 128 H GLU 42 H GLU 42 2.009 -0.543 -9.711 129 HA GLU 42 HA GLU 42 0.893 -0.452 -12.321 130 HB2 GLU 42 2HB GLU 42 1.985 -2.316 -10.374 131 HB3 GLU 42 3HB GLU 42 1.296 -2.915 -11.734 132 HG2 GLU 42 2HG GLU 42 2.912 -1.572 -13.013 133 HG3 GLU 42 3HG GLU 42 3.698 -1.074 -11.533 134 H LYS 43 H LYS 43 0.009 -1.550 -9.023 135 HA LYS 43 HA LYS 43 -2.624 -2.268 -10.022 136 HB2 LYS 43 2HB LYS 43 -1.752 -2.018 -7.105 137 HB3 LYS 43 3HB LYS 43 -3.261 -2.668 -7.756 138 HG2 LYS 43 2HG LYS 43 -0.575 -3.966 -8.008 139 HG3 LYS 43 3HG LYS 43 -1.925 -4.455 -7.011 140 HD2 LYS 43 2HD LYS 43 -3.336 -5.001 -8.833 141 HD3 LYS 43 3HD LYS 43 -2.234 -4.277 -9.996 142 HE2 LYS 43 2HE LYS 43 -0.497 -5.976 -9.384 143 HE3 LYS 43 3HE LYS 43 -1.677 -6.746 -8.306 144 HZ1 LYS 43 3HZ LYS 43 -1.890 -6.457 -11.250 145 HZ2 LYS 43 1HZ LYS 43 -3.107 -7.041 -10.288 146 HZ3 LYS 43 2HZ LYS 43 -1.682 -7.856 -10.418 147 H PHE 44 H PHE 44 -1.065 0.585 -8.808 148 HA PHE 44 HA PHE 44 -3.591 1.992 -9.249 149 HB2 PHE 44 2HB PHE 44 -1.773 2.642 -6.885 150 HB3 PHE 44 3HB PHE 44 -3.393 3.255 -7.184 151 HD1 PHE 44 1HD PHE 44 -5.381 1.774 -6.944 152 HD2 PHE 44 2HD PHE 44 -1.450 0.531 -5.702 153 HE1 PHE 44 1HE PHE 44 -6.377 -0.085 -5.627 154 HE2 PHE 44 2HE PHE 44 -2.442 -1.342 -4.405 155 HZ PHE 44 HZ PHE 44 -4.905 -1.654 -4.391 156 HA PRO 45 HA PRO 45 -0.618 4.649 -11.563 157 HB2 PRO 45 2HB PRO 45 -1.699 4.153 -14.049 158 HB3 PRO 45 3HB PRO 45 -0.311 3.254 -13.384 159 HG2 PRO 45 2HG PRO 45 -3.224 2.438 -13.375 160 HG3 PRO 45 3HG PRO 45 -1.803 1.440 -13.815 161 HD2 PRO 45 2HD PRO 45 -2.895 1.219 -11.395 162 HD3 PRO 45 3HD PRO 45 -1.180 1.196 -11.512 163 H ARG 46 H ARG 46 -3.998 3.940 -11.291 164 HA ARG 46 HA ARG 46 -4.956 6.419 -12.263 165 HB2 ARG 46 2HB ARG 46 -6.081 4.361 -10.371 166 HB3 ARG 46 3HB ARG 46 -6.972 5.840 -10.822 167 HG2 ARG 46 2HG ARG 46 -6.472 5.283 -13.254 168 HG3 ARG 46 3HG ARG 46 -5.909 3.690 -12.708 169 HD2 ARG 46 2HD ARG 46 -8.643 4.883 -12.069 170 HD3 ARG 46 3HD ARG 46 -8.188 3.936 -13.488 171 HE ARG 46 HE ARG 46 -7.594 2.726 -10.831 172 HH11 ARG 46 1HH1 ARG 46 -9.833 2.742 -13.513 173 HH12 ARG 46 2HH1 ARG 46 -10.274 1.051 -13.247 174 HH21 ARG 46 2HH2 ARG 46 -9.519 -0.041 -11.544 175 HH22 ARG 46 1HH2 ARG 46 -8.418 0.691 -10.399 176 H ALA 47 H ALA 47 -3.187 5.764 -9.394 177 HA ALA 47 HA ALA 47 -4.687 7.274 -7.580 178 HB1 ALA 47 1HB ALA 47 -1.803 6.327 -7.422 179 HB2 ALA 47 2HB ALA 47 -2.791 6.866 -6.054 180 HB3 ALA 47 3HB ALA 47 -3.254 5.413 -6.934 181 H THR 48 H THR 48 -4.451 9.153 -6.546 182 HA THR 48 HA THR 48 -2.748 11.251 -7.854 183 HB THR 48 HB THR 48 -4.123 12.897 -6.773 184 HG1 THR 48 1HG THR 48 -4.911 12.206 -5.002 185 HG21 THR 48 1HG2 THR 48 -5.833 10.748 -8.106 186 HG22 THR 48 2HG2 THR 48 -4.878 11.969 -8.950 187 HG23 THR 48 3HG2 THR 48 -6.241 12.467 -7.931 188 H ALA 49 H ALA 49 -3.008 9.437 -4.830 189 HA ALA 49 HA ALA 49 -0.263 10.465 -4.331 190 HB1 ALA 49 1HB ALA 49 -1.776 11.437 -2.633 191 HB2 ALA 49 2HB ALA 49 -2.329 9.809 -2.189 192 HB3 ALA 49 3HB ALA 49 -0.636 10.281 -1.916 193 H ILE 50 H ILE 50 1.267 8.933 -3.880 194 HA ILE 50 HA ILE 50 0.653 6.249 -2.992 195 HB ILE 50 HB ILE 50 2.263 5.349 -4.941 196 HG12 ILE 50 2HG1 ILE 50 0.644 7.400 -6.507 197 HG13 ILE 50 3HG1 ILE 50 2.354 7.585 -6.106 198 HG21 ILE 50 1HG2 ILE 50 0.378 4.312 -5.996 199 HG22 ILE 50 2HG2 ILE 50 0.074 4.434 -4.260 200 HG23 ILE 50 3HG2 ILE 50 -0.713 5.564 -5.384 201 HD11 ILE 50 3HD1 ILE 50 1.148 5.401 -7.853 202 HD12 ILE 50 1HD1 ILE 50 2.169 6.755 -8.361 203 HD13 ILE 50 2HD1 ILE 50 2.855 5.474 -7.345 204 H LYS 51 H LYS 51 1.969 6.153 -1.344 205 HA LYS 51 HA LYS 51 4.896 6.368 -1.732 206 HB2 LYS 51 2HB LYS 51 5.159 8.000 0.025 207 HB3 LYS 51 3HB LYS 51 4.211 8.636 -1.305 208 HG2 LYS 51 2HG LYS 51 2.131 7.917 0.139 209 HG3 LYS 51 3HG LYS 51 3.291 7.842 1.472 210 HD2 LYS 51 2HD LYS 51 2.460 10.025 1.628 211 HD3 LYS 51 3HD LYS 51 3.947 10.251 0.678 212 HE2 LYS 51 2HE LYS 51 2.556 10.127 -1.414 213 HE3 LYS 51 3HE LYS 51 1.101 9.963 -0.432 214 HZ1 LYS 51 3HZ LYS 51 1.558 12.168 0.506 215 HZ2 LYS 51 1HZ LYS 51 1.424 12.285 -1.098 216 HZ3 LYS 51 2HZ LYS 51 2.922 12.321 -0.414 217 H VAL 52 H VAL 52 6.145 5.384 -0.125 218 HA VAL 52 HA VAL 52 4.744 3.569 1.801 219 HB VAL 52 HB VAL 52 7.099 2.771 0.057 220 HG11 VAL 52 1HG1 VAL 52 6.887 1.462 2.122 221 HG12 VAL 52 2HG1 VAL 52 5.220 1.058 1.704 222 HG13 VAL 52 3HG1 VAL 52 6.558 0.485 0.694 223 HG21 VAL 52 3HG2 VAL 52 5.600 1.373 -1.298 224 HG22 VAL 52 1HG2 VAL 52 4.187 2.061 -0.450 225 HG23 VAL 52 2HG2 VAL 52 5.226 3.058 -1.502 226 H THR 53 H THR 53 5.698 3.335 3.790 227 HA THR 53 HA THR 53 8.564 4.115 4.136 228 HB THR 53 HB THR 53 6.222 4.656 6.053 229 HG1 THR 53 1HG THR 53 7.821 6.442 4.532 230 HG21 THR 53 1HG2 THR 53 9.163 5.452 6.224 231 HG22 THR 53 2HG2 THR 53 8.261 4.395 7.331 232 HG23 THR 53 3HG2 THR 53 7.865 6.116 7.241 233 H ASP 54 H ASP 54 9.829 2.743 5.123 234 HA ASP 54 HA ASP 54 8.711 0.231 6.298 235 HB2 ASP 54 2HB ASP 54 10.792 -0.039 4.977 236 HB3 ASP 54 3HB ASP 54 11.485 1.373 5.647 237 H ILE 55 H ILE 55 8.491 -0.170 8.295 238 HA ILE 55 HA ILE 55 9.578 1.608 10.414 239 HB ILE 55 HB ILE 55 7.408 1.585 11.590 240 HG12 ILE 55 2HG1 ILE 55 6.433 0.115 9.115 241 HG13 ILE 55 3HG1 ILE 55 6.199 -0.221 10.761 242 HG21 ILE 55 1HG2 ILE 55 6.513 3.436 10.373 243 HG22 ILE 55 2HG2 ILE 55 8.263 3.463 10.180 244 HG23 ILE 55 3HG2 ILE 55 7.237 2.880 8.850 245 HD11 ILE 55 3HD1 ILE 55 4.914 2.044 9.178 246 HD12 ILE 55 1HD1 ILE 55 4.119 0.565 9.751 247 HD13 ILE 55 2HD1 ILE 55 4.654 1.792 10.920 248 H SER 56 H SER 56 10.390 -0.935 9.328 249 HA SER 56 HA SER 56 10.491 -2.580 11.792 250 HB2 SER 56 2HB SER 56 8.705 -3.415 10.484 251 HB3 SER 56 3HB SER 56 9.709 -3.499 9.042 252 HG SER 56 HG SER 56 10.435 -4.896 11.421 253 H GLY 57 H GLY 57 12.508 -1.126 11.688 254 HA2 GLY 57 2HA GLY 57 14.574 -1.469 9.808 255 HA3 GLY 57 3HA GLY 57 14.759 -0.933 11.468 256 H GLY 58 H GLY 58 13.602 -3.833 12.064 257 HA2 GLY 58 2HA GLY 58 16.236 -5.273 12.019 258 HA3 GLY 58 3HA GLY 58 15.015 -5.403 13.283 259 H CYS 59 H CYS 59 13.399 -5.392 10.343 260 HA CYS 59 HA CYS 59 13.598 -8.287 9.747 261 HB2 CYS 59 2HB CYS 59 12.119 -8.040 11.785 262 HB3 CYS 59 3HB CYS 59 11.030 -7.055 10.840 263 HG CYS 59 HG CYS 59 12.014 -10.150 10.230 264 H GLY 60 H GLY 60 11.992 -5.173 9.190 265 HA2 GLY 60 2HA GLY 60 10.960 -4.197 7.534 266 HA3 GLY 60 3HA GLY 60 11.747 -5.297 6.353 267 H ALA 61 H ALA 61 9.539 -6.165 9.027 268 HA ALA 61 HA ALA 61 7.610 -7.427 7.159 269 HB1 ALA 61 1HB ALA 61 7.721 -7.281 10.198 270 HB2 ALA 61 2HB ALA 61 6.558 -8.226 9.244 271 HB3 ALA 61 3HB ALA 61 8.281 -8.630 9.178 272 H MET 62 H MET 62 7.871 -4.379 8.887 273 HA MET 62 HA MET 62 4.964 -3.843 8.456 274 HB2 MET 62 2HB MET 62 6.861 -2.485 10.411 275 HB3 MET 62 3HB MET 62 5.175 -2.107 10.133 276 HG2 MET 62 2HG MET 62 4.645 -3.404 11.687 277 HG3 MET 62 3HG MET 62 5.055 -4.810 10.675 278 HE1 MET 62 3HE MET 62 6.693 -2.126 12.953 279 HE2 MET 62 1HE MET 62 5.454 -3.028 13.846 280 HE3 MET 62 2HE MET 62 7.166 -3.144 14.340 281 H TYR 63 H TYR 63 4.250 -2.136 7.394 282 HA TYR 63 HA TYR 63 6.093 0.047 6.751 283 HB2 TYR 63 2HB TYR 63 4.477 -1.392 4.673 284 HB3 TYR 63 3HB TYR 63 5.207 0.078 4.380 285 HD1 TYR 63 HD1 TYR 63 5.554 -3.497 4.988 286 HD2 TYR 63 HD2 TYR 63 7.836 0.020 3.983 287 HE1 TYR 63 HE1 TYR 63 7.447 -4.926 4.503 288 HE2 TYR 63 HE2 TYR 63 9.817 -1.388 3.657 289 HH TYR 63 HH TYR 63 9.712 -4.928 4.312 290 H GLU 64 H GLU 64 5.196 1.958 6.462 291 HA GLU 64 HA GLU 64 2.267 2.353 6.906 292 HB2 GLU 64 2HB GLU 64 3.571 3.481 8.566 293 HB3 GLU 64 3HB GLU 64 4.661 4.176 7.372 294 HG2 GLU 64 2HG GLU 64 2.927 5.524 6.528 295 HG3 GLU 64 3HG GLU 64 1.701 4.702 7.424 296 H ILE 65 H ILE 65 1.043 2.830 5.181 297 HA ILE 65 HA ILE 65 2.386 3.569 2.589 298 HB ILE 65 HB ILE 65 0.336 1.406 3.169 299 HG12 ILE 65 2HG1 ILE 65 3.115 0.980 2.042 300 HG13 ILE 65 3HG1 ILE 65 2.777 0.893 3.760 301 HG21 ILE 65 1HG2 ILE 65 1.570 2.297 0.514 302 HG22 ILE 65 2HG2 ILE 65 0.570 0.842 0.711 303 HG23 ILE 65 3HG2 ILE 65 -0.140 2.420 0.975 304 HD11 ILE 65 3HD1 ILE 65 1.571 -0.906 1.627 305 HD12 ILE 65 1HD1 ILE 65 2.791 -1.325 2.833 306 HD13 ILE 65 2HD1 ILE 65 1.141 -0.924 3.355 307 H LYS 66 H LYS 66 1.340 5.126 1.416 308 HA LYS 66 HA LYS 66 -1.521 5.766 2.099 309 HB2 LYS 66 2HB LYS 66 0.767 7.701 1.739 310 HB3 LYS 66 3HB LYS 66 -0.918 8.191 1.667 311 HG2 LYS 66 2HG LYS 66 -1.249 7.922 3.946 312 HG3 LYS 66 3HG LYS 66 0.050 6.732 4.132 313 HD2 LYS 66 2HD LYS 66 1.746 8.475 3.766 314 HD3 LYS 66 3HD LYS 66 0.468 9.688 3.510 315 HE2 LYS 66 2HE LYS 66 -0.330 9.388 5.796 316 HE3 LYS 66 3HE LYS 66 0.830 8.081 6.083 317 HZ1 LYS 66 3HZ LYS 66 1.488 10.338 6.906 318 HZ2 LYS 66 1HZ LYS 66 1.610 10.849 5.378 319 HZ3 LYS 66 2HZ LYS 66 2.617 9.631 5.939 320 H ILE 67 H ILE 67 -2.812 5.658 0.516 321 HA ILE 67 HA ILE 67 -1.929 6.134 -2.227 322 HB ILE 67 HB ILE 67 -3.953 4.026 -1.539 323 HG12 ILE 67 2HG1 ILE 67 -0.948 3.859 -1.525 324 HG13 ILE 67 3HG1 ILE 67 -2.139 3.090 -0.557 325 HG21 ILE 67 1HG2 ILE 67 -4.056 4.965 -3.831 326 HG22 ILE 67 2HG2 ILE 67 -2.338 4.635 -4.041 327 HG23 ILE 67 3HG2 ILE 67 -3.516 3.310 -3.870 328 HD11 ILE 67 3HD1 ILE 67 -1.313 2.401 -3.416 329 HD12 ILE 67 1HD1 ILE 67 -0.946 1.504 -1.942 330 HD13 ILE 67 2HD1 ILE 67 -2.628 1.575 -2.544 331 H GLU 68 H GLU 68 -3.702 7.046 -3.574 332 HA GLU 68 HA GLU 68 -6.421 7.447 -2.486 333 HB2 GLU 68 2HB GLU 68 -5.138 9.388 -1.619 334 HB3 GLU 68 3HB GLU 68 -4.522 9.671 -3.170 335 HG2 GLU 68 2HG GLU 68 -6.768 10.285 -4.019 336 HG3 GLU 68 3HG GLU 68 -7.489 9.799 -2.493 337 H SER 69 H SER 69 -7.843 7.129 -4.234 338 HA SER 69 HA SER 69 -6.958 7.653 -7.007 339 HB2 SER 69 2HB SER 69 -5.838 5.436 -6.231 340 HB3 SER 69 3HB SER 69 -7.444 4.795 -6.128 341 HG SER 69 HG SER 69 -6.847 4.325 -8.193 342 H GLU 70 H GLU 70 -8.445 7.415 -8.533 343 HA GLU 70 HA GLU 70 -11.059 8.124 -7.861 344 HB2 GLU 70 2HB GLU 70 -9.480 8.239 -10.039 345 HB3 GLU 70 3HB GLU 70 -10.492 6.902 -10.561 346 HG2 GLU 70 2HG GLU 70 -11.488 9.595 -9.565 347 HG3 GLU 70 3HG GLU 70 -11.131 9.259 -11.262 348 H GLU 71 H GLU 71 -9.779 4.934 -8.372 349 HA GLU 71 HA GLU 71 -12.241 3.486 -8.782 350 HB2 GLU 71 2HB GLU 71 -10.884 1.538 -8.634 351 HB3 GLU 71 3HB GLU 71 -9.982 2.790 -9.486 352 HG2 GLU 71 2HG GLU 71 -9.100 3.278 -6.944 353 HG3 GLU 71 3HG GLU 71 -9.507 1.590 -6.767 354 H PHE 72 H PHE 72 -10.854 4.795 -5.867 355 HA PHE 72 HA PHE 72 -11.827 2.650 -4.165 356 HB2 PHE 72 2HB PHE 72 -10.413 5.271 -3.789 357 HB3 PHE 72 3HB PHE 72 -10.999 4.441 -2.429 358 HD1 PHE 72 1HD PHE 72 -10.328 1.516 -3.208 359 HD2 PHE 72 2HD PHE 72 -8.111 5.193 -3.557 360 HE1 PHE 72 1HE PHE 72 -8.223 0.253 -3.135 361 HE2 PHE 72 2HE PHE 72 -5.994 3.919 -3.463 362 HZ PHE 72 HZ PHE 72 -6.038 1.453 -3.262 363 H LYS 73 H LYS 73 -13.595 5.069 -5.575 364 HA LYS 73 HA LYS 73 -15.138 5.938 -3.316 365 HB2 LYS 73 2HB LYS 73 -16.757 6.826 -4.995 366 HB3 LYS 73 3HB LYS 73 -15.113 7.346 -5.289 367 HG2 LYS 73 2HG LYS 73 -14.883 5.487 -7.000 368 HG3 LYS 73 3HG LYS 73 -16.590 5.110 -6.736 369 HD2 LYS 73 2HD LYS 73 -17.242 7.345 -7.484 370 HD3 LYS 73 3HD LYS 73 -15.537 7.750 -7.818 371 HE2 LYS 73 2HE LYS 73 -16.826 5.211 -8.902 372 HE3 LYS 73 3HE LYS 73 -17.078 6.734 -9.717 373 HZ1 LYS 73 3HZ LYS 73 -14.360 5.667 -9.148 374 HZ2 LYS 73 1HZ LYS 73 -14.712 6.942 -10.073 375 HZ3 LYS 73 2HZ LYS 73 -15.172 5.423 -10.567 376 H GLU 74 H GLU 74 -15.673 3.338 -5.640 377 HA GLU 74 HA GLU 74 -18.337 2.763 -4.536 378 HB2 GLU 74 2HB GLU 74 -18.739 1.529 -6.508 379 HB3 GLU 74 3HB GLU 74 -17.976 3.068 -6.937 380 HG2 GLU 74 2HG GLU 74 -15.756 1.750 -7.049 381 HG3 GLU 74 3HG GLU 74 -16.757 0.291 -7.042 382 H LYS 75 H LYS 75 -16.513 2.381 -2.679 383 HA LYS 75 HA LYS 75 -16.285 -0.529 -2.057 384 HB2 LYS 75 2HB LYS 75 -14.045 1.571 -1.863 385 HB3 LYS 75 3HB LYS 75 -13.885 -0.142 -1.548 386 HG2 LYS 75 2HG LYS 75 -14.314 1.167 -4.265 387 HG3 LYS 75 3HG LYS 75 -12.791 0.628 -3.593 388 HD2 LYS 75 2HD LYS 75 -13.159 -1.591 -4.042 389 HD3 LYS 75 3HD LYS 75 -14.878 -1.465 -3.695 390 HE2 LYS 75 2HE LYS 75 -14.731 -1.935 -6.002 391 HE3 LYS 75 3HE LYS 75 -15.245 -0.255 -5.817 392 HZ1 LYS 75 3HZ LYS 75 -13.584 -0.505 -7.540 393 HZ2 LYS 75 1HZ LYS 75 -12.516 -1.176 -6.522 394 HZ3 LYS 75 2HZ LYS 75 -12.958 0.434 -6.355 395 H ARG 76 H ARG 76 -16.475 -0.967 0.054 396 HA ARG 76 HA ARG 76 -16.899 0.948 2.108 397 HB2 ARG 76 2HB ARG 76 -15.665 -1.740 2.621 398 HB3 ARG 76 3HB ARG 76 -16.910 -0.893 3.462 399 HG2 ARG 76 2HG ARG 76 -17.560 -2.211 0.845 400 HG3 ARG 76 3HG ARG 76 -17.491 -3.114 2.343 401 HD2 ARG 76 2HD ARG 76 -19.192 -1.542 3.329 402 HD3 ARG 76 3HD ARG 76 -19.290 -0.725 1.782 403 HE ARG 76 HE ARG 76 -20.419 -2.588 0.830 404 HH11 ARG 76 1HH1 ARG 76 -19.545 -3.359 4.152 405 HH12 ARG 76 2HH1 ARG 76 -20.825 -4.551 4.265 406 HH21 ARG 76 2HH2 ARG 76 -21.863 -5.243 2.421 407 HH22 ARG 76 1HH2 ARG 76 -21.824 -4.235 0.994 408 H THR 77 H THR 77 -15.333 1.186 3.950 409 HA THR 77 HA THR 77 -12.645 1.749 3.346 410 HB THR 77 HB THR 77 -13.955 0.811 5.895 411 HG1 THR 77 1HG THR 77 -13.226 3.352 4.846 412 HG21 THR 77 1HG2 THR 77 -12.064 1.999 7.098 413 HG22 THR 77 2HG2 THR 77 -11.205 2.106 5.546 414 HG23 THR 77 3HG2 THR 77 -11.561 0.524 6.278 415 H VAL 78 H VAL 78 -13.817 -1.305 4.752 416 HA VAL 78 HA VAL 78 -11.278 -2.591 4.676 417 HB VAL 78 HB VAL 78 -13.193 -3.292 6.011 418 HG11 VAL 78 1HG1 VAL 78 -15.054 -4.497 5.116 419 HG12 VAL 78 2HG1 VAL 78 -14.929 -2.953 4.262 420 HG13 VAL 78 3HG1 VAL 78 -14.389 -4.450 3.471 421 HG21 VAL 78 3HG2 VAL 78 -12.209 -5.520 4.188 422 HG22 VAL 78 1HG2 VAL 78 -11.351 -4.877 5.611 423 HG23 VAL 78 2HG2 VAL 78 -12.907 -5.697 5.810 424 H GLN 79 H GLN 79 -13.755 -2.317 2.141 425 HA GLN 79 HA GLN 79 -12.476 -4.099 0.249 426 HB2 GLN 79 2HB GLN 79 -14.464 -1.840 -0.120 427 HB3 GLN 79 3HB GLN 79 -13.701 -2.656 -1.476 428 HG2 GLN 79 2HG GLN 79 -14.634 -4.848 -0.532 429 HG3 GLN 79 3HG GLN 79 -15.601 -3.853 0.551 430 HE21 GLN 79 2HE2 GLN 79 -18.031 -3.606 -2.061 431 HE22 GLN 79 1HE2 GLN 79 -17.721 -3.824 -0.352 432 H GLN 80 H GLN 80 -12.195 -0.522 0.757 433 HA GLN 80 HA GLN 80 -10.301 -0.048 -1.353 434 HB2 GLN 80 2HB GLN 80 -10.568 1.309 1.380 435 HB3 GLN 80 3HB GLN 80 -9.545 1.874 0.071 436 HG2 GLN 80 2HG GLN 80 -11.531 2.324 -1.324 437 HG3 GLN 80 3HG GLN 80 -12.577 1.745 -0.037 438 HE21 GLN 80 2HE2 GLN 80 -12.583 5.414 0.398 439 HE22 GLN 80 1HE2 GLN 80 -13.151 4.269 -0.819 440 H HIS 81 H HIS 81 -9.748 -0.800 2.152 441 HA HIS 81 HA HIS 81 -6.906 -0.927 2.050 442 HB2 HIS 81 2HB HIS 81 -8.907 -2.424 3.789 443 HB3 HIS 81 3HB HIS 81 -7.161 -2.457 4.017 444 HD1 HIS 81 1HD HIS 81 -9.430 -1.152 6.088 445 HD2 HIS 81 2HD HIS 81 -6.561 0.710 3.621 446 HE1 HIS 81 1HE HIS 81 -8.890 1.081 7.164 447 H GLN 82 H GLN 82 -9.238 -3.669 1.649 448 HA GLN 82 HA GLN 82 -7.456 -5.697 1.277 449 HB2 GLN 82 2HB GLN 82 -9.743 -6.172 1.558 450 HB3 GLN 82 3HB GLN 82 -10.205 -5.248 0.134 451 HG2 GLN 82 2HG GLN 82 -10.362 -7.668 -0.251 452 HG3 GLN 82 3HG GLN 82 -9.243 -6.888 -1.358 453 HE21 GLN 82 2HE2 GLN 82 -7.312 -9.807 -0.636 454 HE22 GLN 82 1HE2 GLN 82 -8.620 -9.194 -1.655 455 H MET 83 H MET 83 -8.521 -3.434 -1.348 456 HA MET 83 HA MET 83 -7.230 -4.766 -3.481 457 HB2 MET 83 2HB MET 83 -7.546 -1.774 -2.995 458 HB3 MET 83 3HB MET 83 -7.229 -2.513 -4.572 459 HG2 MET 83 2HG MET 83 -9.311 -3.642 -4.524 460 HG3 MET 83 3HG MET 83 -9.671 -3.168 -2.905 461 HE1 MET 83 3HE MET 83 -8.471 -0.817 -5.974 462 HE2 MET 83 1HE MET 83 -9.480 -2.154 -6.578 463 HE3 MET 83 2HE MET 83 -10.095 -0.494 -6.618 464 H VAL 84 H VAL 84 -6.001 -2.286 -1.307 465 HA VAL 84 HA VAL 84 -3.319 -2.072 -2.396 466 HB VAL 84 HB VAL 84 -4.160 -1.344 0.421 467 HG11 VAL 84 1HG1 VAL 84 -2.002 -0.391 -1.452 468 HG12 VAL 84 2HG1 VAL 84 -2.574 0.669 -0.143 469 HG13 VAL 84 3HG1 VAL 84 -1.854 -0.927 0.227 470 HG21 VAL 84 3HG2 VAL 84 -4.772 0.879 -0.371 471 HG22 VAL 84 1HG2 VAL 84 -4.574 0.326 -2.061 472 HG23 VAL 84 2HG2 VAL 84 -5.837 -0.352 -1.000 473 H ASN 85 H ASN 85 -4.787 -4.069 0.093 474 HA ASN 85 HA ASN 85 -2.399 -5.229 1.265 475 HB2 ASN 85 2HB ASN 85 -5.365 -5.838 1.201 476 HB3 ASN 85 3HB ASN 85 -4.240 -7.058 1.807 477 HD21 ASN 85 2HD2 ASN 85 -4.831 -3.693 4.035 478 HD22 ASN 85 1HD2 ASN 85 -5.052 -3.605 2.290 479 H GLN 86 H GLN 86 -4.755 -6.423 -1.206 480 HA GLN 86 HA GLN 86 -3.357 -8.787 -1.790 481 HB2 GLN 86 2HB GLN 86 -5.798 -7.772 -2.262 482 HB3 GLN 86 3HB GLN 86 -5.133 -7.404 -3.837 483 HG2 GLN 86 2HG GLN 86 -5.035 -10.135 -2.489 484 HG3 GLN 86 3HG GLN 86 -6.398 -9.612 -3.472 485 HE21 GLN 86 2HE2 GLN 86 -3.998 -11.588 -5.603 486 HE22 GLN 86 1HE2 GLN 86 -4.710 -11.948 -4.033 487 H ALA 87 H ALA 87 -2.823 -5.552 -3.003 488 HA ALA 87 HA ALA 87 -1.615 -5.966 -5.520 489 HB1 ALA 87 1HB ALA 87 -1.073 -3.849 -3.380 490 HB2 ALA 87 2HB ALA 87 -0.637 -3.729 -5.090 491 HB3 ALA 87 3HB ALA 87 -2.348 -3.781 -4.619 492 H LEU 88 H LEU 88 -0.192 -6.108 -2.243 493 HA LEU 88 HA LEU 88 2.339 -7.137 -3.495 494 HB2 LEU 88 2HB LEU 88 3.684 -5.972 -2.118 495 HB3 LEU 88 3HB LEU 88 2.502 -4.824 -2.697 496 HG LEU 88 HG LEU 88 2.947 -4.242 -0.483 497 HD11 LEU 88 1HD1 LEU 88 0.373 -5.805 -0.261 498 HD12 LEU 88 2HD1 LEU 88 0.544 -4.207 -1.010 499 HD13 LEU 88 3HD1 LEU 88 0.876 -4.418 0.719 500 HD21 LEU 88 3HD2 LEU 88 2.386 -7.029 0.575 501 HD22 LEU 88 1HD2 LEU 88 3.060 -5.629 1.415 502 HD23 LEU 88 2HD2 LEU 88 4.007 -6.400 0.135 503 H LYS 89 H LYS 89 -0.210 -8.180 -1.692 504 HA LYS 89 HA LYS 89 0.892 -9.820 0.308 505 HB2 LYS 89 2HB LYS 89 -1.485 -9.545 0.075 506 HB3 LYS 89 3HB LYS 89 -1.491 -10.200 -1.573 507 HG2 LYS 89 2HG LYS 89 -1.151 -12.392 -0.887 508 HG3 LYS 89 3HG LYS 89 -0.383 -11.942 0.591 509 HD2 LYS 89 2HD LYS 89 -2.399 -12.838 1.299 510 HD3 LYS 89 3HD LYS 89 -2.689 -11.094 1.402 511 HE2 LYS 89 2HE LYS 89 -3.949 -11.145 -0.685 512 HE3 LYS 89 3HE LYS 89 -3.506 -12.841 -0.964 513 HZ1 LYS 89 3HZ LYS 89 -5.730 -12.617 -0.020 514 HZ2 LYS 89 1HZ LYS 89 -5.130 -11.853 1.306 515 HZ3 LYS 89 2HZ LYS 89 -4.771 -13.428 1.048 516 H GLU 90 H GLU 90 0.987 -10.371 -3.240 517 HA GLU 90 HA GLU 90 1.865 -13.038 -2.783 518 HB2 GLU 90 2HB GLU 90 1.264 -11.240 -5.118 519 HB3 GLU 90 3HB GLU 90 2.124 -12.729 -5.386 520 HG2 GLU 90 2HG GLU 90 0.316 -13.979 -4.171 521 HG3 GLU 90 3HG GLU 90 -0.582 -12.471 -4.006 522 H GLU 91 H GLU 91 3.467 -10.155 -2.414 523 HA GLU 91 HA GLU 91 6.188 -11.261 -2.945 524 HB2 GLU 91 2HB GLU 91 4.950 -8.506 -2.908 525 HB3 GLU 91 3HB GLU 91 6.522 -8.633 -2.237 526 HG2 GLU 91 2HG GLU 91 5.641 -9.149 -5.072 527 HG3 GLU 91 3HG GLU 91 6.794 -7.954 -4.460 528 H ILE 92 H ILE 92 4.321 -9.385 -0.506 529 HA ILE 92 HA ILE 92 5.671 -10.817 1.726 530 HB ILE 92 HB ILE 92 5.428 -7.794 1.488 531 HG12 ILE 92 2HG1 ILE 92 7.810 -9.685 1.491 532 HG13 ILE 92 3HG1 ILE 92 7.305 -8.605 0.196 533 HG21 ILE 92 1HG2 ILE 92 6.419 -9.512 3.809 534 HG22 ILE 92 2HG2 ILE 92 6.465 -7.733 3.737 535 HG23 ILE 92 3HG2 ILE 92 4.923 -8.546 3.780 536 HD11 ILE 92 3HD1 ILE 92 8.548 -7.789 2.833 537 HD12 ILE 92 1HD1 ILE 92 9.219 -7.632 1.205 538 HD13 ILE 92 2HD1 ILE 92 7.821 -6.641 1.676 539 H LYS 93 H LYS 93 4.055 -11.686 2.936 540 HA LYS 93 HA LYS 93 1.324 -10.815 2.405 541 HB2 LYS 93 2HB LYS 93 2.419 -13.005 4.106 542 HB3 LYS 93 3HB LYS 93 0.730 -12.912 3.649 543 HG2 LYS 93 2HG LYS 93 1.212 -13.393 1.363 544 HG3 LYS 93 3HG LYS 93 2.959 -13.268 1.599 545 HD2 LYS 93 2HD LYS 93 1.150 -15.392 2.822 546 HD3 LYS 93 3HD LYS 93 2.179 -15.592 1.394 547 HE2 LYS 93 2HE LYS 93 4.172 -14.997 2.849 548 HE3 LYS 93 3HE LYS 93 3.088 -15.077 4.249 549 HZ1 LYS 93 3HZ LYS 93 2.581 -17.400 3.537 550 HZ2 LYS 93 1HZ LYS 93 4.171 -17.207 3.945 551 HZ3 LYS 93 2HZ LYS 93 3.730 -17.267 2.367 552 H GLU 94 H GLU 94 3.396 -9.684 4.724 553 HA GLU 94 HA GLU 94 2.074 -10.294 7.121 554 HB2 GLU 94 2HB GLU 94 4.534 -8.978 6.099 555 HB3 GLU 94 3HB GLU 94 4.072 -8.537 7.696 556 HG2 GLU 94 2HG GLU 94 5.603 -10.398 7.778 557 HG3 GLU 94 3HG GLU 94 4.026 -10.849 8.436 558 H MET 95 H MET 95 -0.039 -9.097 6.109 559 HA MET 95 HA MET 95 -0.048 -6.270 6.775 560 HB2 MET 95 2HB MET 95 -2.323 -8.044 5.905 561 HB3 MET 95 3HB MET 95 -2.427 -6.297 6.195 562 HG2 MET 95 2HG MET 95 -1.780 -6.048 4.052 563 HG3 MET 95 3HG MET 95 -0.171 -6.374 4.662 564 HE1 MET 95 3HE MET 95 -0.388 -6.509 1.860 565 HE2 MET 95 1HE MET 95 1.026 -7.266 2.634 566 HE3 MET 95 2HE MET 95 0.157 -8.111 1.338 567 H HIS 96 H HIS 96 0.257 -8.524 8.963 568 HA HIS 96 HA HIS 96 -1.203 -7.138 11.096 569 HB2 HIS 96 2HB HIS 96 0.125 -8.333 12.613 570 HB3 HIS 96 3HB HIS 96 -0.135 -9.469 11.299 571 HD1 HIS 96 1HD HIS 96 2.640 -7.505 13.060 572 HD2 HIS 96 2HD HIS 96 2.096 -10.182 9.861 573 HE1 HIS 96 1HE HIS 96 4.964 -8.112 12.245 574 H GLY 97 H GLY 97 1.602 -6.566 9.178 575 HA2 GLY 97 2HA GLY 97 2.782 -4.504 10.897 576 HA3 GLY 97 3HA GLY 97 3.384 -5.151 9.335 577 H LEU 98 H LEU 98 0.578 -4.514 8.234 578 HA LEU 98 HA LEU 98 1.714 -2.045 7.041 579 HB2 LEU 98 2HB LEU 98 -0.503 -3.877 6.047 580 HB3 LEU 98 3HB LEU 98 0.198 -2.488 5.208 581 HG LEU 98 HG LEU 98 1.530 -5.147 5.838 582 HD11 LEU 98 1HD1 LEU 98 2.169 -5.058 3.564 583 HD12 LEU 98 2HD1 LEU 98 1.659 -3.355 3.414 584 HD13 LEU 98 3HD1 LEU 98 0.423 -4.623 3.587 585 HD21 LEU 98 3HD2 LEU 98 2.810 -2.511 5.134 586 HD22 LEU 98 1HD2 LEU 98 3.598 -4.111 4.891 587 HD23 LEU 98 2HD2 LEU 98 3.231 -3.582 6.524 588 H ARG 99 H ARG 99 1.077 -0.210 7.305 589 HA ARG 99 HA ARG 99 -1.489 0.479 8.748 590 HB2 ARG 99 2HB ARG 99 0.803 0.889 9.864 591 HB3 ARG 99 3HB ARG 99 0.987 2.198 8.703 592 HG2 ARG 99 2HG ARG 99 -1.320 3.046 9.504 593 HG3 ARG 99 3HG ARG 99 -1.206 1.846 10.798 594 HD2 ARG 99 2HD ARG 99 1.027 2.846 11.427 595 HD3 ARG 99 3HD ARG 99 0.746 4.067 10.183 596 HE ARG 99 HE ARG 99 -0.957 3.678 12.638 597 HH11 ARG 99 1HH1 ARG 99 0.799 6.022 10.649 598 HH12 ARG 99 2HH1 ARG 99 -0.051 7.342 11.426 599 HH21 ARG 99 2HH2 ARG 99 -1.468 7.037 12.970 600 HH22 ARG 99 1HH2 ARG 99 -2.010 5.427 13.437 601 H ILE 100 H ILE 100 -2.768 0.595 6.972 602 HA ILE 100 HA ILE 100 -1.774 2.226 4.684 603 HB ILE 100 HB ILE 100 -4.015 0.243 4.336 604 HG12 ILE 100 2HG1 ILE 100 -1.129 -0.624 4.659 605 HG13 ILE 100 3HG1 ILE 100 -2.590 -1.202 5.498 606 HG21 ILE 100 1HG2 ILE 100 -3.109 1.842 2.513 607 HG22 ILE 100 2HG2 ILE 100 -1.645 0.807 2.537 608 HG23 ILE 100 3HG2 ILE 100 -3.230 0.145 2.111 609 HD11 ILE 100 3HD1 ILE 100 -2.131 -2.909 3.953 610 HD12 ILE 100 1HD1 ILE 100 -3.442 -1.944 3.225 611 HD13 ILE 100 2HD1 ILE 100 -1.773 -1.768 2.643 612 H PHE 101 H PHE 101 -2.652 3.604 3.743 613 HA PHE 101 HA PHE 101 -5.097 4.895 4.838 614 HB2 PHE 101 2HB PHE 101 -2.317 5.808 4.013 615 HB3 PHE 101 3HB PHE 101 -3.598 6.891 4.322 616 HD1 PHE 101 1HD PHE 101 -0.919 5.037 5.735 617 HD2 PHE 101 2HD PHE 101 -4.755 6.756 6.702 618 HE1 PHE 101 1HE PHE 101 -0.380 4.854 8.117 619 HE2 PHE 101 2HE PHE 101 -4.219 6.563 9.118 620 HZ PHE 101 HZ PHE 101 -2.065 5.595 9.837 621 H THR 102 H THR 102 -6.597 5.059 3.353 622 HA THR 102 HA THR 102 -5.991 5.548 0.429 623 HB THR 102 HB THR 102 -8.104 4.222 0.000 624 HG1 THR 102 1HG THR 102 -9.219 3.731 1.684 625 HG21 THR 102 1HG2 THR 102 -5.917 2.605 1.381 626 HG22 THR 102 2HG2 THR 102 -5.882 3.165 -0.307 627 HG23 THR 102 3HG2 THR 102 -7.111 2.000 0.211 628 H SER 103 H SER 103 -7.452 6.693 -0.675 629 HA SER 103 HA SER 103 -9.916 7.703 0.393 630 HB2 SER 103 2HB SER 103 -9.023 10.131 -0.195 631 HB3 SER 103 3HB SER 103 -8.951 9.484 1.436 632 HG SER 103 HG SER 103 -7.058 10.555 0.725 633 H VAL 104 H VAL 104 -10.765 9.424 -1.403 634 HA VAL 104 HA VAL 104 -9.783 8.578 -4.090 635 HB VAL 104 HB VAL 104 -11.517 7.082 -3.635 636 HG11 VAL 104 1HG1 VAL 104 -13.297 9.378 -2.864 637 HG12 VAL 104 2HG1 VAL 104 -13.856 7.738 -3.252 638 HG13 VAL 104 3HG1 VAL 104 -12.775 7.964 -1.882 639 HG21 VAL 104 3HG2 VAL 104 -12.780 9.156 -5.438 640 HG22 VAL 104 1HG2 VAL 104 -11.452 8.058 -5.862 641 HG23 VAL 104 2HG2 VAL 104 -12.981 7.376 -5.446 642 HA PRO 105 HA PRO 105 -10.210 12.945 -4.812 643 HB2 PRO 105 2HB PRO 105 -9.172 13.122 -7.304 644 HB3 PRO 105 3HB PRO 105 -8.162 12.547 -5.939 645 HG2 PRO 105 2HG PRO 105 -9.674 10.846 -7.970 646 HG3 PRO 105 3HG PRO 105 -7.973 10.672 -7.472 647 HD2 PRO 105 2HD PRO 105 -9.912 9.214 -6.378 648 HD3 PRO 105 3HD PRO 105 -8.491 9.720 -5.463 649 H LYS 106 H LYS 106 -11.750 14.264 -5.453 650 HA LYS 106 HA LYS 106 -13.899 13.304 -7.262 651 HB2 LYS 106 2HB LYS 106 -13.752 13.089 -4.400 652 HB3 LYS 106 3HB LYS 106 -14.919 14.329 -4.700 653 HG2 LYS 106 2HG LYS 106 -14.922 11.516 -5.898 654 HG3 LYS 106 3HG LYS 106 -15.828 12.040 -4.483 655 HD2 LYS 106 2HD LYS 106 -17.122 13.640 -5.926 656 HD3 LYS 106 3HD LYS 106 -16.253 13.012 -7.349 657 HE2 LYS 106 2HE LYS 106 -17.070 10.716 -6.795 658 HE3 LYS 106 3HE LYS 106 -17.977 11.375 -5.428 659 HZ1 LYS 106 3HZ LYS 106 -18.445 12.044 -8.288 660 HZ2 LYS 106 1HZ LYS 106 -19.319 12.646 -7.003 661 HZ3 LYS 106 2HZ LYS 106 -19.371 11.067 -7.349 662 H ARG 107 H ARG 107 -12.050 15.475 -7.615 663 HA ARG 107 HA ARG 107 -13.843 17.856 -7.655 664 HB2 ARG 107 2HB ARG 107 -10.992 17.522 -6.684 665 HB3 ARG 107 3HB ARG 107 -11.650 19.075 -7.173 666 HG2 ARG 107 2HG ARG 107 -13.552 18.758 -5.543 667 HG3 ARG 107 3HG ARG 107 -12.764 17.289 -4.961 668 HD2 ARG 107 2HD ARG 107 -11.618 20.109 -4.861 669 HD3 ARG 107 3HD ARG 107 -12.343 19.222 -3.507 670 HE ARG 107 HE ARG 107 -10.201 17.680 -4.613 671 HH11 ARG 107 1HH1 ARG 107 -10.693 20.492 -2.512 672 HH12 ARG 107 2HH1 ARG 107 -9.101 20.268 -1.798 673 HH21 ARG 107 2HH2 ARG 107 -7.748 18.656 -2.475 674 HH22 ARG 107 1HH2 ARG 107 -8.229 17.665 -3.835 Start of MODEL 13 1 H1 ALA 27 H1 ALA 27 10.903 8.925 5.232 2 H2 ALA 27 H2 ALA 27 10.553 7.988 6.532 3 H3 ALA 27 H3 ALA 27 10.829 7.286 5.067 4 HA ALA 27 HA ALA 27 13.104 8.068 5.085 5 HB1 ALA 27 1HB ALA 27 12.754 10.013 6.597 6 HB2 ALA 27 2HB ALA 27 12.495 8.896 7.956 7 HB3 ALA 27 3HB ALA 27 14.070 8.966 7.143 8 H THR 28 H THR 28 14.749 6.760 5.848 9 HA THR 28 HA THR 28 15.694 4.790 6.231 10 HB THR 28 HB THR 28 13.742 4.410 8.459 11 HG1 THR 28 1HG THR 28 15.732 4.941 9.598 12 HG21 THR 28 1HG2 THR 28 16.331 2.913 7.869 13 HG22 THR 28 2HG2 THR 28 14.693 2.215 7.811 14 HG23 THR 28 3HG2 THR 28 15.347 2.778 9.343 15 H GLN 29 H GLN 29 15.787 2.820 5.327 16 HA GLN 29 HA GLN 29 13.341 1.923 3.833 17 HB2 GLN 29 2HB GLN 29 16.003 2.838 2.862 18 HB3 GLN 29 3HB GLN 29 15.297 1.427 2.088 19 HG2 GLN 29 2HG GLN 29 14.395 3.094 0.837 20 HG3 GLN 29 3HG GLN 29 13.096 2.719 1.900 21 HE21 GLN 29 2HE2 GLN 29 12.804 6.242 2.252 22 HE22 GLN 29 1HE2 GLN 29 12.048 4.709 1.818 23 H THR 30 H THR 30 13.262 -0.157 3.037 24 HA THR 30 HA THR 30 15.400 -2.089 3.719 25 HB THR 30 HB THR 30 13.756 -3.919 3.614 26 HG1 THR 30 1HG THR 30 11.558 -3.321 3.806 27 HG21 THR 30 1HG2 THR 30 13.109 -1.909 5.770 28 HG22 THR 30 2HG2 THR 30 14.382 -3.134 5.832 29 HG23 THR 30 3HG2 THR 30 12.676 -3.621 5.808 30 H GLU 31 H GLU 31 15.138 -4.023 2.012 31 HA GLU 31 HA GLU 31 14.965 -3.035 -0.748 32 HB2 GLU 31 2HB GLU 31 15.377 -5.695 0.631 33 HB3 GLU 31 3HB GLU 31 14.878 -5.677 -1.057 34 HG2 GLU 31 2HG GLU 31 17.317 -5.846 -0.783 35 HG3 GLU 31 3HG GLU 31 16.804 -4.474 -1.764 36 H GLY 32 H GLY 32 12.731 -4.677 1.502 37 HA2 GLY 32 2HA GLY 32 10.614 -5.263 -0.269 38 HA3 GLY 32 3HA GLY 32 10.492 -4.963 1.470 39 H GLU 33 H GLU 33 11.303 -2.247 1.596 40 HA GLU 33 HA GLU 33 9.050 -0.783 1.090 41 HB2 GLU 33 2HB GLU 33 11.501 -0.390 2.239 42 HB3 GLU 33 3HB GLU 33 11.723 0.613 0.834 43 HG2 GLU 33 2HG GLU 33 9.176 0.962 2.349 44 HG3 GLU 33 3HG GLU 33 10.645 1.332 3.225 45 H LEU 34 H LEU 34 11.840 -1.096 -1.121 46 HA LEU 34 HA LEU 34 10.874 0.684 -3.155 47 HB2 LEU 34 2HB LEU 34 12.786 -1.625 -3.579 48 HB3 LEU 34 3HB LEU 34 12.734 -0.070 -4.404 49 HG LEU 34 HG LEU 34 13.660 -0.658 -1.590 50 HD11 LEU 34 1HD1 LEU 34 15.856 0.087 -2.462 51 HD12 LEU 34 2HD1 LEU 34 15.140 0.329 -4.067 52 HD13 LEU 34 3HD1 LEU 34 15.229 -1.301 -3.367 53 HD21 LEU 34 3HD2 LEU 34 12.587 1.574 -1.605 54 HD22 LEU 34 1HD2 LEU 34 13.528 2.032 -3.038 55 HD23 LEU 34 2HD2 LEU 34 14.345 1.746 -1.481 56 H ARG 35 H ARG 35 11.009 -2.822 -2.875 57 HA ARG 35 HA ARG 35 9.833 -3.745 -5.299 58 HB2 ARG 35 2HB ARG 35 11.051 -5.111 -3.683 59 HB3 ARG 35 3HB ARG 35 9.819 -4.848 -2.462 60 HG2 ARG 35 2HG ARG 35 8.652 -6.587 -3.177 61 HG3 ARG 35 3HG ARG 35 8.406 -5.853 -4.746 62 HD2 ARG 35 2HD ARG 35 9.491 -7.921 -5.190 63 HD3 ARG 35 3HD ARG 35 10.727 -6.702 -5.412 64 HE ARG 35 HE ARG 35 11.933 -7.551 -3.604 65 HH11 ARG 35 1HH1 ARG 35 8.850 -9.245 -3.496 66 HH12 ARG 35 2HH1 ARG 35 9.255 -9.892 -1.904 67 HH21 ARG 35 2HH2 ARG 35 11.125 -9.616 -1.026 68 HH22 ARG 35 1HH2 ARG 35 12.340 -8.568 -1.775 69 H VAL 36 H VAL 36 8.313 -3.048 -2.154 70 HA VAL 36 HA VAL 36 5.650 -3.672 -3.029 71 HB VAL 36 HB VAL 36 6.756 -2.047 -0.680 72 HG11 VAL 36 1HG1 VAL 36 3.840 -2.595 -1.339 73 HG12 VAL 36 2HG1 VAL 36 4.431 -2.159 0.285 74 HG13 VAL 36 3HG1 VAL 36 4.618 -1.029 -1.054 75 HG21 VAL 36 3HG2 VAL 36 5.949 -3.967 0.646 76 HG22 VAL 36 1HG2 VAL 36 5.322 -4.734 -0.834 77 HG23 VAL 36 2HG2 VAL 36 7.060 -4.521 -0.608 78 H THR 37 H THR 37 7.531 -0.574 -2.724 79 HA THR 37 HA THR 37 5.501 1.140 -3.651 80 HB THR 37 HB THR 37 8.436 1.406 -4.195 81 HG1 THR 37 1HG THR 37 8.128 1.321 -1.979 82 HG21 THR 37 1HG2 THR 37 7.263 3.037 -5.516 83 HG22 THR 37 2HG2 THR 37 8.046 3.868 -4.179 84 HG23 THR 37 3HG2 THR 37 6.295 3.542 -4.113 85 H GLN 38 H GLN 38 7.693 -0.886 -5.573 86 HA GLN 38 HA GLN 38 6.977 0.288 -8.094 87 HB2 GLN 38 2HB GLN 38 8.087 -2.482 -7.454 88 HB3 GLN 38 3HB GLN 38 7.899 -1.808 -9.050 89 HG2 GLN 38 2HG GLN 38 9.976 -1.255 -7.024 90 HG3 GLN 38 3HG GLN 38 10.084 -1.298 -8.757 91 HE21 GLN 38 2HE2 GLN 38 9.759 2.254 -6.882 92 HE22 GLN 38 1HE2 GLN 38 9.800 0.711 -6.009 93 H ILE 39 H ILE 39 5.590 -2.600 -6.457 94 HA ILE 39 HA ILE 39 3.824 -3.106 -8.753 95 HB ILE 39 HB ILE 39 3.563 -4.253 -5.946 96 HG12 ILE 39 2HG1 ILE 39 5.211 -5.269 -8.306 97 HG13 ILE 39 3HG1 ILE 39 5.843 -4.686 -6.777 98 HG21 ILE 39 1HG2 ILE 39 1.579 -4.563 -7.322 99 HG22 ILE 39 2HG2 ILE 39 2.559 -5.103 -8.709 100 HG23 ILE 39 3HG2 ILE 39 2.410 -6.101 -7.256 101 HD11 ILE 39 3HD1 ILE 39 5.966 -7.034 -6.684 102 HD12 ILE 39 1HD1 ILE 39 4.627 -6.553 -5.609 103 HD13 ILE 39 2HD1 ILE 39 4.297 -7.249 -7.217 104 H LEU 40 H LEU 40 3.573 -1.284 -5.744 105 HA LEU 40 HA LEU 40 0.811 -0.615 -5.865 106 HB2 LEU 40 2HB LEU 40 3.313 0.859 -4.875 107 HB3 LEU 40 3HB LEU 40 1.723 1.605 -4.855 108 HG LEU 40 HG LEU 40 2.570 -0.972 -3.480 109 HD11 LEU 40 1HD1 LEU 40 1.699 1.717 -2.338 110 HD12 LEU 40 2HD1 LEU 40 3.380 1.179 -2.521 111 HD13 LEU 40 3HD1 LEU 40 2.302 0.313 -1.420 112 HD21 LEU 40 3HD2 LEU 40 -0.165 0.311 -3.594 113 HD22 LEU 40 1HD2 LEU 40 0.331 -0.776 -2.267 114 HD23 LEU 40 2HD2 LEU 40 0.282 -1.376 -3.920 115 H LYS 41 H LYS 41 3.480 0.779 -7.743 116 HA LYS 41 HA LYS 41 2.002 2.912 -8.882 117 HB2 LYS 41 2HB LYS 41 4.225 1.486 -10.340 118 HB3 LYS 41 3HB LYS 41 3.653 3.157 -10.552 119 HG2 LYS 41 2HG LYS 41 4.201 3.233 -7.914 120 HG3 LYS 41 3HG LYS 41 5.235 1.897 -8.390 121 HD2 LYS 41 2HD LYS 41 6.307 3.458 -10.098 122 HD3 LYS 41 3HD LYS 41 5.382 4.774 -9.334 123 HE2 LYS 41 2HE LYS 41 6.347 3.948 -7.099 124 HE3 LYS 41 3HE LYS 41 7.440 2.919 -8.042 125 HZ1 LYS 41 3HZ LYS 41 7.345 5.868 -7.947 126 HZ2 LYS 41 1HZ LYS 41 8.180 5.063 -9.134 127 HZ3 LYS 41 2HZ LYS 41 8.617 4.887 -7.576 128 H GLU 42 H GLU 42 2.175 -0.509 -9.875 129 HA GLU 42 HA GLU 42 0.790 -0.251 -12.319 130 HB2 GLU 42 2HB GLU 42 1.993 -2.212 -10.530 131 HB3 GLU 42 3HB GLU 42 1.122 -2.805 -11.784 132 HG2 GLU 42 2HG GLU 42 2.634 -1.618 -13.288 133 HG3 GLU 42 3HG GLU 42 3.622 -1.101 -11.928 134 H LYS 43 H LYS 43 0.037 -1.517 -9.029 135 HA LYS 43 HA LYS 43 -2.600 -2.194 -9.998 136 HB2 LYS 43 2HB LYS 43 -1.641 -2.068 -7.118 137 HB3 LYS 43 3HB LYS 43 -3.184 -2.690 -7.724 138 HG2 LYS 43 2HG LYS 43 -0.497 -3.908 -8.245 139 HG3 LYS 43 3HG LYS 43 -1.731 -4.513 -7.167 140 HD2 LYS 43 2HD LYS 43 -3.280 -5.002 -8.901 141 HD3 LYS 43 3HD LYS 43 -2.312 -4.179 -10.108 142 HE2 LYS 43 2HE LYS 43 -0.529 -5.873 -9.901 143 HE3 LYS 43 3HE LYS 43 -1.455 -6.691 -8.637 144 HZ1 LYS 43 3HZ LYS 43 -3.223 -7.088 -10.279 145 HZ2 LYS 43 1HZ LYS 43 -1.803 -7.744 -10.779 146 HZ3 LYS 43 2HZ LYS 43 -2.347 -6.360 -11.462 147 H PHE 44 H PHE 44 -1.127 0.670 -8.854 148 HA PHE 44 HA PHE 44 -3.732 1.963 -9.241 149 HB2 PHE 44 2HB PHE 44 -1.762 2.775 -7.051 150 HB3 PHE 44 3HB PHE 44 -3.393 3.396 -7.303 151 HD1 PHE 44 1HD PHE 44 -1.442 0.563 -5.907 152 HD2 PHE 44 2HD PHE 44 -5.375 2.100 -6.757 153 HE1 PHE 44 1HE PHE 44 -2.436 -1.320 -4.645 154 HE2 PHE 44 2HE PHE 44 -6.367 0.257 -5.420 155 HZ PHE 44 HZ PHE 44 -4.908 -1.460 -4.407 156 HA PRO 45 HA PRO 45 -1.040 4.416 -12.020 157 HB2 PRO 45 2HB PRO 45 -2.352 3.795 -14.358 158 HB3 PRO 45 3HB PRO 45 -0.905 2.945 -13.739 159 HG2 PRO 45 2HG PRO 45 -3.816 2.155 -13.390 160 HG3 PRO 45 3HG PRO 45 -2.443 1.125 -13.912 161 HD2 PRO 45 2HD PRO 45 -3.168 1.007 -11.370 162 HD3 PRO 45 3HD PRO 45 -1.490 1.182 -11.678 163 H ARG 46 H ARG 46 -4.551 4.031 -11.496 164 HA ARG 46 HA ARG 46 -5.035 6.763 -12.428 165 HB2 ARG 46 2HB ARG 46 -6.766 4.782 -10.923 166 HB3 ARG 46 3HB ARG 46 -7.328 6.351 -11.442 167 HG2 ARG 46 2HG ARG 46 -6.290 4.293 -13.433 168 HG3 ARG 46 3HG ARG 46 -7.957 4.380 -12.888 169 HD2 ARG 46 2HD ARG 46 -7.926 5.529 -14.923 170 HD3 ARG 46 3HD ARG 46 -8.081 6.765 -13.682 171 HE ARG 46 HE ARG 46 -5.559 6.070 -15.181 172 HH11 ARG 46 1HH1 ARG 46 -7.441 8.673 -13.555 173 HH12 ARG 46 2HH1 ARG 46 -6.207 9.829 -14.029 174 HH21 ARG 46 2HH2 ARG 46 -4.519 9.353 -15.038 175 HH22 ARG 46 1HH2 ARG 46 -4.154 7.762 -15.681 176 H ALA 47 H ALA 47 -3.419 5.805 -9.750 177 HA ALA 47 HA ALA 47 -4.682 7.263 -7.709 178 HB1 ALA 47 1HB ALA 47 -3.094 5.489 -7.288 179 HB2 ALA 47 2HB ALA 47 -1.770 6.448 -7.997 180 HB3 ALA 47 3HB ALA 47 -2.559 6.970 -6.496 181 H THR 48 H THR 48 -4.311 9.164 -6.689 182 HA THR 48 HA THR 48 -2.621 11.211 -8.073 183 HB THR 48 HB THR 48 -3.843 12.957 -7.087 184 HG1 THR 48 1HG THR 48 -5.381 12.684 -5.655 185 HG21 THR 48 1HG2 THR 48 -4.850 11.984 -9.139 186 HG22 THR 48 2HG2 THR 48 -6.079 12.660 -8.054 187 HG23 THR 48 3HG2 THR 48 -5.852 10.909 -8.139 188 H ALA 49 H ALA 49 -2.951 9.368 -5.057 189 HA ALA 49 HA ALA 49 -0.151 10.276 -4.604 190 HB1 ALA 49 1HB ALA 49 -2.228 9.792 -2.430 191 HB2 ALA 49 2HB ALA 49 -0.509 10.100 -2.163 192 HB3 ALA 49 3HB ALA 49 -1.528 11.363 -2.884 193 H ILE 50 H ILE 50 1.304 8.677 -4.143 194 HA ILE 50 HA ILE 50 0.586 6.064 -3.088 195 HB ILE 50 HB ILE 50 2.102 4.991 -4.972 196 HG12 ILE 50 2HG1 ILE 50 0.668 7.112 -6.632 197 HG13 ILE 50 3HG1 ILE 50 2.394 7.134 -6.257 198 HG21 ILE 50 1HG2 ILE 50 -0.830 5.395 -5.553 199 HG22 ILE 50 2HG2 ILE 50 0.192 4.010 -5.960 200 HG23 ILE 50 3HG2 ILE 50 -0.201 4.331 -4.273 201 HD11 ILE 50 3HD1 ILE 50 0.924 5.026 -7.884 202 HD12 ILE 50 1HD1 ILE 50 2.093 6.227 -8.454 203 HD13 ILE 50 2HD1 ILE 50 2.632 4.913 -7.395 204 H LYS 51 H LYS 51 1.945 6.072 -1.423 205 HA LYS 51 HA LYS 51 4.869 6.128 -1.879 206 HB2 LYS 51 2HB LYS 51 5.248 7.780 -0.149 207 HB3 LYS 51 3HB LYS 51 4.368 8.421 -1.522 208 HG2 LYS 51 2HG LYS 51 2.250 7.752 0.101 209 HG3 LYS 51 3HG LYS 51 3.499 8.011 1.319 210 HD2 LYS 51 2HD LYS 51 2.374 10.080 1.013 211 HD3 LYS 51 3HD LYS 51 3.954 10.241 0.203 212 HE2 LYS 51 2HE LYS 51 2.962 9.985 -1.979 213 HE3 LYS 51 3HE LYS 51 1.432 9.414 -1.292 214 HZ1 LYS 51 3HZ LYS 51 1.418 11.788 -2.039 215 HZ2 LYS 51 1HZ LYS 51 2.482 12.149 -0.864 216 HZ3 LYS 51 2HZ LYS 51 0.974 11.570 -0.461 217 H VAL 52 H VAL 52 6.118 5.309 -0.142 218 HA VAL 52 HA VAL 52 4.715 3.540 1.814 219 HB VAL 52 HB VAL 52 7.085 2.688 0.110 220 HG11 VAL 52 1HG1 VAL 52 6.433 0.392 0.785 221 HG12 VAL 52 2HG1 VAL 52 6.849 1.388 2.174 222 HG13 VAL 52 3HG1 VAL 52 5.145 1.066 1.810 223 HG21 VAL 52 3HG2 VAL 52 5.533 1.242 -1.194 224 HG22 VAL 52 1HG2 VAL 52 4.152 2.059 -0.414 225 HG23 VAL 52 2HG2 VAL 52 5.266 2.939 -1.492 226 H THR 53 H THR 53 5.748 3.185 3.799 227 HA THR 53 HA THR 53 8.626 4.049 4.053 228 HB THR 53 HB THR 53 6.333 4.772 5.950 229 HG1 THR 53 1HG THR 53 6.618 6.819 5.293 230 HG21 THR 53 1HG2 THR 53 7.964 6.109 7.193 231 HG22 THR 53 2HG2 THR 53 9.276 5.428 6.200 232 HG23 THR 53 3HG2 THR 53 8.318 4.382 7.263 233 H ASP 54 H ASP 54 9.870 2.561 4.930 234 HA ASP 54 HA ASP 54 8.748 0.204 6.332 235 HB2 ASP 54 2HB ASP 54 10.826 -0.100 5.046 236 HB3 ASP 54 3HB ASP 54 11.537 1.306 5.708 237 H ILE 55 H ILE 55 8.321 0.020 8.307 238 HA ILE 55 HA ILE 55 9.408 1.897 10.352 239 HB ILE 55 HB ILE 55 7.209 2.027 11.418 240 HG12 ILE 55 2HG1 ILE 55 6.289 0.354 9.040 241 HG13 ILE 55 3HG1 ILE 55 6.075 0.079 10.711 242 HG21 ILE 55 1HG2 ILE 55 6.349 3.742 10.001 243 HG22 ILE 55 2HG2 ILE 55 8.099 3.737 9.775 244 HG23 ILE 55 3HG2 ILE 55 7.036 3.000 8.550 245 HD11 ILE 55 3HD1 ILE 55 4.497 2.054 10.805 246 HD12 ILE 55 1HD1 ILE 55 4.723 2.273 9.053 247 HD13 ILE 55 2HD1 ILE 55 3.965 0.796 9.670 248 H SER 56 H SER 56 10.066 -0.825 9.400 249 HA SER 56 HA SER 56 10.201 -2.238 12.004 250 HB2 SER 56 2HB SER 56 8.458 -3.236 10.739 251 HB3 SER 56 3HB SER 56 9.509 -3.420 9.336 252 HG SER 56 HG SER 56 10.034 -4.553 11.920 253 H GLY 57 H GLY 57 12.181 -0.722 11.765 254 HA2 GLY 57 2HA GLY 57 14.208 -1.184 9.907 255 HA3 GLY 57 3HA GLY 57 14.428 -0.494 11.515 256 H GLY 58 H GLY 58 13.384 -3.352 12.382 257 HA2 GLY 58 2HA GLY 58 16.068 -4.650 12.576 258 HA3 GLY 58 3HA GLY 58 14.710 -4.888 13.662 259 H CYS 59 H CYS 59 13.004 -5.120 11.106 260 HA CYS 59 HA CYS 59 13.525 -8.025 10.523 261 HB2 CYS 59 2HB CYS 59 11.311 -6.602 12.018 262 HB3 CYS 59 3HB CYS 59 11.000 -8.177 11.231 263 HG CYS 59 HG CYS 59 11.381 -8.520 13.826 264 H GLY 60 H GLY 60 11.889 -5.033 9.652 265 HA2 GLY 60 2HA GLY 60 10.844 -4.228 7.926 266 HA3 GLY 60 3HA GLY 60 11.644 -5.438 6.865 267 H ALA 61 H ALA 61 9.293 -5.785 9.530 268 HA ALA 61 HA ALA 61 7.490 -7.441 7.843 269 HB1 ALA 61 1HB ALA 61 8.442 -8.410 9.907 270 HB2 ALA 61 2HB ALA 61 7.730 -7.094 10.867 271 HB3 ALA 61 3HB ALA 61 6.685 -8.257 10.025 272 H MET 62 H MET 62 7.661 -4.303 9.314 273 HA MET 62 HA MET 62 4.807 -3.765 8.727 274 HB2 MET 62 2HB MET 62 6.656 -2.241 10.627 275 HB3 MET 62 3HB MET 62 5.000 -1.847 10.221 276 HG2 MET 62 2HG MET 62 4.846 -2.780 12.226 277 HG3 MET 62 3HG MET 62 4.295 -4.029 11.134 278 HE1 MET 62 3HE MET 62 7.490 -2.861 13.023 279 HE2 MET 62 1HE MET 62 6.187 -3.331 14.142 280 HE3 MET 62 2HE MET 62 7.692 -4.282 14.083 281 H TYR 63 H TYR 63 4.238 -2.083 7.555 282 HA TYR 63 HA TYR 63 6.177 -0.043 6.755 283 HB2 TYR 63 2HB TYR 63 4.612 -1.598 4.694 284 HB3 TYR 63 3HB TYR 63 5.444 -0.175 4.385 285 HD1 TYR 63 HD1 TYR 63 7.968 -0.234 4.086 286 HD2 TYR 63 HD2 TYR 63 5.730 -3.727 5.229 287 HE1 TYR 63 HE1 TYR 63 9.995 -1.622 3.844 288 HE2 TYR 63 HE2 TYR 63 7.728 -5.149 4.876 289 HH TYR 63 HH TYR 63 9.927 -5.163 4.562 290 H GLU 64 H GLU 64 5.245 1.867 6.244 291 HA GLU 64 HA GLU 64 2.339 2.295 6.621 292 HB2 GLU 64 2HB GLU 64 4.432 3.829 7.431 293 HB3 GLU 64 3HB GLU 64 4.256 4.471 5.799 294 HG2 GLU 64 2HG GLU 64 1.823 4.858 6.292 295 HG3 GLU 64 3HG GLU 64 2.121 4.245 7.911 296 H ILE 65 H ILE 65 0.984 2.619 4.831 297 HA ILE 65 HA ILE 65 2.236 3.286 2.207 298 HB ILE 65 HB ILE 65 0.079 1.175 2.579 299 HG12 ILE 65 2HG1 ILE 65 2.859 0.934 1.346 300 HG13 ILE 65 3HG1 ILE 65 2.436 0.388 2.967 301 HG21 ILE 65 1HG2 ILE 65 -0.419 2.590 0.620 302 HG22 ILE 65 2HG2 ILE 65 1.255 2.417 0.045 303 HG23 ILE 65 3HG2 ILE 65 0.138 1.035 0.064 304 HD11 ILE 65 3HD1 ILE 65 1.313 -0.754 0.374 305 HD12 ILE 65 1HD1 ILE 65 2.447 -1.508 1.483 306 HD13 ILE 65 2HD1 ILE 65 0.775 -1.200 2.007 307 H LYS 66 H LYS 66 1.326 5.005 1.300 308 HA LYS 66 HA LYS 66 -1.447 5.836 2.106 309 HB2 LYS 66 2HB LYS 66 1.099 7.458 2.046 310 HB3 LYS 66 3HB LYS 66 -0.462 8.245 1.780 311 HG2 LYS 66 2HG LYS 66 -1.259 7.719 3.920 312 HG3 LYS 66 3HG LYS 66 -0.069 6.437 4.177 313 HD2 LYS 66 2HD LYS 66 1.727 8.077 4.389 314 HD3 LYS 66 3HD LYS 66 0.580 9.409 4.094 315 HE2 LYS 66 2HE LYS 66 -0.651 8.915 6.105 316 HE3 LYS 66 3HE LYS 66 0.200 7.373 6.331 317 HZ1 LYS 66 3HZ LYS 66 1.482 10.036 6.475 318 HZ2 LYS 66 1HZ LYS 66 2.222 8.578 6.752 319 HZ3 LYS 66 2HZ LYS 66 1.066 9.160 7.777 320 H ILE 67 H ILE 67 -2.780 5.711 0.504 321 HA ILE 67 HA ILE 67 -1.865 6.269 -2.228 322 HB ILE 67 HB ILE 67 -4.023 4.327 -1.486 323 HG12 ILE 67 2HG1 ILE 67 -1.057 3.952 -1.569 324 HG13 ILE 67 3HG1 ILE 67 -2.287 3.224 -0.619 325 HG21 ILE 67 1HG2 ILE 67 -3.720 3.533 -3.844 326 HG22 ILE 67 2HG2 ILE 67 -4.314 5.157 -3.748 327 HG23 ILE 67 3HG2 ILE 67 -2.600 4.887 -4.107 328 HD11 ILE 67 3HD1 ILE 67 -2.854 1.754 -2.570 329 HD12 ILE 67 1HD1 ILE 67 -1.587 2.567 -3.519 330 HD13 ILE 67 2HD1 ILE 67 -1.136 1.659 -2.083 331 H GLU 68 H GLU 68 -3.605 7.197 -3.624 332 HA GLU 68 HA GLU 68 -6.289 7.696 -2.584 333 HB2 GLU 68 2HB GLU 68 -5.007 9.671 -1.802 334 HB3 GLU 68 3HB GLU 68 -4.420 9.919 -3.355 335 HG2 GLU 68 2HG GLU 68 -6.572 10.729 -4.172 336 HG3 GLU 68 3HG GLU 68 -7.421 10.134 -2.770 337 H SER 69 H SER 69 -7.680 7.346 -4.386 338 HA SER 69 HA SER 69 -6.684 7.728 -7.151 339 HB2 SER 69 2HB SER 69 -5.804 5.445 -6.416 340 HB3 SER 69 3HB SER 69 -7.457 4.967 -6.143 341 HG SER 69 HG SER 69 -6.876 4.335 -8.240 342 H GLU 70 H GLU 70 -8.384 7.945 -8.632 343 HA GLU 70 HA GLU 70 -10.963 8.492 -7.685 344 HB2 GLU 70 2HB GLU 70 -11.456 9.047 -9.820 345 HB3 GLU 70 3HB GLU 70 -9.741 9.338 -9.715 346 HG2 GLU 70 2HG GLU 70 -9.396 7.050 -10.756 347 HG3 GLU 70 3HG GLU 70 -11.127 7.008 -11.100 348 H GLU 71 H GLU 71 -9.620 5.400 -8.505 349 HA GLU 71 HA GLU 71 -12.070 4.038 -9.110 350 HB2 GLU 71 2HB GLU 71 -10.770 2.108 -9.208 351 HB3 GLU 71 3HB GLU 71 -9.691 3.405 -9.713 352 HG2 GLU 71 2HG GLU 71 -9.050 3.458 -7.128 353 HG3 GLU 71 3HG GLU 71 -9.745 1.845 -7.114 354 H PHE 72 H PHE 72 -10.829 5.062 -6.038 355 HA PHE 72 HA PHE 72 -11.974 2.835 -4.533 356 HB2 PHE 72 2HB PHE 72 -10.390 5.333 -3.938 357 HB3 PHE 72 3HB PHE 72 -11.064 4.413 -2.640 358 HD1 PHE 72 1HD PHE 72 -8.131 5.126 -3.598 359 HD2 PHE 72 2HD PHE 72 -10.555 1.554 -3.484 360 HE1 PHE 72 1HE PHE 72 -6.100 3.740 -3.255 361 HE2 PHE 72 2HE PHE 72 -8.529 0.185 -3.148 362 HZ PHE 72 HZ PHE 72 -6.299 1.288 -3.035 363 H LYS 73 H LYS 73 -13.801 4.976 -5.901 364 HA LYS 73 HA LYS 73 -14.956 6.664 -3.925 365 HB2 LYS 73 2HB LYS 73 -16.843 6.901 -5.647 366 HB3 LYS 73 3HB LYS 73 -15.226 7.419 -6.110 367 HG2 LYS 73 2HG LYS 73 -14.861 5.582 -7.515 368 HG3 LYS 73 3HG LYS 73 -16.132 4.612 -6.773 369 HD2 LYS 73 2HD LYS 73 -17.875 5.840 -7.780 370 HD3 LYS 73 3HD LYS 73 -16.755 7.085 -8.421 371 HE2 LYS 73 2HE LYS 73 -15.713 5.585 -9.916 372 HE3 LYS 73 3HE LYS 73 -16.221 4.177 -8.994 373 HZ1 LYS 73 3HZ LYS 73 -17.936 5.829 -10.764 374 HZ2 LYS 73 1HZ LYS 73 -18.524 4.632 -9.766 375 HZ3 LYS 73 2HZ LYS 73 -17.501 4.274 -10.981 376 H GLU 74 H GLU 74 -16.203 3.561 -5.060 377 HA GLU 74 HA GLU 74 -18.623 3.898 -3.367 378 HB2 GLU 74 2HB GLU 74 -18.719 3.569 -5.835 379 HB3 GLU 74 3HB GLU 74 -18.000 1.979 -5.647 380 HG2 GLU 74 2HG GLU 74 -19.985 1.242 -4.352 381 HG3 GLU 74 3HG GLU 74 -20.659 2.876 -4.446 382 H LYS 75 H LYS 75 -15.647 2.370 -3.255 383 HA LYS 75 HA LYS 75 -16.173 -0.058 -1.787 384 HB2 LYS 75 2HB LYS 75 -13.728 1.763 -1.858 385 HB3 LYS 75 3HB LYS 75 -13.736 0.129 -1.204 386 HG2 LYS 75 2HG LYS 75 -14.240 0.871 -4.102 387 HG3 LYS 75 3HG LYS 75 -12.710 0.295 -3.465 388 HD2 LYS 75 2HD LYS 75 -13.414 -1.890 -3.262 389 HD3 LYS 75 3HD LYS 75 -15.097 -1.455 -2.962 390 HE2 LYS 75 2HE LYS 75 -15.207 -0.627 -5.376 391 HE3 LYS 75 3HE LYS 75 -13.654 -1.452 -5.627 392 HZ1 LYS 75 3HZ LYS 75 -16.222 -2.664 -4.775 393 HZ2 LYS 75 1HZ LYS 75 -14.808 -3.490 -4.738 394 HZ3 LYS 75 2HZ LYS 75 -15.418 -2.974 -6.186 395 H ARG 76 H ARG 76 -16.338 -0.537 0.395 396 HA ARG 76 HA ARG 76 -16.490 1.511 2.365 397 HB2 ARG 76 2HB ARG 76 -15.672 -1.351 2.906 398 HB3 ARG 76 3HB ARG 76 -16.575 -0.238 3.817 399 HG2 ARG 76 2HG ARG 76 -18.400 -0.432 1.901 400 HG3 ARG 76 3HG ARG 76 -17.619 -1.995 1.658 401 HD2 ARG 76 2HD ARG 76 -17.914 -2.473 4.112 402 HD3 ARG 76 3HD ARG 76 -18.774 -0.938 4.289 403 HE ARG 76 HE ARG 76 -19.809 -3.424 3.281 404 HH11 ARG 76 1HH1 ARG 76 -20.326 0.084 2.933 405 HH12 ARG 76 2HH1 ARG 76 -21.895 -0.224 2.182 406 HH21 ARG 76 2HH2 ARG 76 -22.728 -2.139 2.011 407 HH22 ARG 76 1HH2 ARG 76 -21.842 -3.594 2.465 408 H THR 77 H THR 77 -14.933 1.574 4.182 409 HA THR 77 HA THR 77 -12.265 2.071 3.572 410 HB THR 77 HB THR 77 -13.468 0.968 6.098 411 HG1 THR 77 1HG THR 77 -13.919 3.061 6.595 412 HG21 THR 77 1HG2 THR 77 -11.703 2.315 7.280 413 HG22 THR 77 2HG2 THR 77 -11.000 2.752 5.704 414 HG23 THR 77 3HG2 THR 77 -10.972 1.068 6.261 415 H VAL 78 H VAL 78 -13.477 -0.995 4.933 416 HA VAL 78 HA VAL 78 -11.007 -2.419 4.695 417 HB VAL 78 HB VAL 78 -12.853 -3.132 6.090 418 HG11 VAL 78 1HG1 VAL 78 -14.691 -2.541 4.492 419 HG12 VAL 78 2HG1 VAL 78 -14.330 -4.033 3.596 420 HG13 VAL 78 3HG1 VAL 78 -14.871 -4.115 5.283 421 HG21 VAL 78 3HG2 VAL 78 -12.773 -5.528 5.663 422 HG22 VAL 78 1HG2 VAL 78 -12.183 -5.261 4.009 423 HG23 VAL 78 2HG2 VAL 78 -11.173 -4.806 5.401 424 H GLN 79 H GLN 79 -13.610 -1.950 2.310 425 HA GLN 79 HA GLN 79 -12.388 -3.825 0.422 426 HB2 GLN 79 2HB GLN 79 -14.608 -1.832 -0.154 427 HB3 GLN 79 3HB GLN 79 -14.091 -3.207 -1.137 428 HG2 GLN 79 2HG GLN 79 -14.588 -4.536 1.136 429 HG3 GLN 79 3HG GLN 79 -15.682 -3.197 1.408 430 HE21 GLN 79 2HE2 GLN 79 -17.767 -4.272 -1.445 431 HE22 GLN 79 1HE2 GLN 79 -17.251 -2.775 -0.723 432 H GLN 80 H GLN 80 -11.905 -0.420 1.090 433 HA GLN 80 HA GLN 80 -10.266 0.047 -1.289 434 HB2 GLN 80 2HB GLN 80 -10.282 1.432 1.426 435 HB3 GLN 80 3HB GLN 80 -9.322 1.923 0.035 436 HG2 GLN 80 2HG GLN 80 -11.363 2.371 -1.266 437 HG3 GLN 80 3HG GLN 80 -12.360 1.872 0.090 438 HE21 GLN 80 2HE2 GLN 80 -12.223 5.580 0.218 439 HE22 GLN 80 1HE2 GLN 80 -12.819 4.397 -0.934 440 H HIS 81 H HIS 81 -9.501 -0.781 2.165 441 HA HIS 81 HA HIS 81 -6.728 -1.120 1.875 442 HB2 HIS 81 2HB HIS 81 -8.699 -2.553 3.703 443 HB3 HIS 81 3HB HIS 81 -6.957 -2.730 3.823 444 HD1 HIS 81 1HD HIS 81 -8.721 -1.409 6.212 445 HD2 HIS 81 2HD HIS 81 -6.328 0.505 3.322 446 HE1 HIS 81 1HE HIS 81 -8.167 0.875 7.141 447 H GLN 82 H GLN 82 -9.165 -3.748 1.480 448 HA GLN 82 HA GLN 82 -7.599 -5.897 0.965 449 HB2 GLN 82 2HB GLN 82 -10.005 -6.007 1.094 450 HB3 GLN 82 3HB GLN 82 -10.198 -5.031 -0.351 451 HG2 GLN 82 2HG GLN 82 -10.663 -7.342 -0.871 452 HG3 GLN 82 3HG GLN 82 -9.227 -6.858 -1.744 453 HE21 GLN 82 2HE2 GLN 82 -8.062 -10.056 -0.535 454 HE22 GLN 82 1HE2 GLN 82 -8.668 -9.208 -1.948 455 H MET 83 H MET 83 -8.375 -3.398 -1.540 456 HA MET 83 HA MET 83 -7.122 -4.821 -3.704 457 HB2 MET 83 2HB MET 83 -7.473 -1.816 -3.491 458 HB3 MET 83 3HB MET 83 -7.300 -2.774 -4.952 459 HG2 MET 83 2HG MET 83 -9.517 -3.925 -3.765 460 HG3 MET 83 3HG MET 83 -9.689 -2.247 -3.296 461 HE1 MET 83 3HE MET 83 -8.465 -0.701 -5.867 462 HE2 MET 83 1HE MET 83 -9.941 -0.467 -6.819 463 HE3 MET 83 2HE MET 83 -9.990 -0.237 -5.063 464 H VAL 84 H VAL 84 -5.911 -2.412 -1.410 465 HA VAL 84 HA VAL 84 -3.271 -2.079 -2.603 466 HB VAL 84 HB VAL 84 -4.008 -1.481 0.268 467 HG11 VAL 84 1HG1 VAL 84 -1.727 -0.969 -0.113 468 HG12 VAL 84 2HG1 VAL 84 -2.070 -0.302 -1.714 469 HG13 VAL 84 3HG1 VAL 84 -2.546 0.622 -0.280 470 HG21 VAL 84 3HG2 VAL 84 -4.769 0.751 -0.374 471 HG22 VAL 84 1HG2 VAL 84 -4.657 0.275 -2.091 472 HG23 VAL 84 2HG2 VAL 84 -5.824 -0.500 -0.985 473 H ASN 85 H ASN 85 -4.685 -4.125 -0.115 474 HA ASN 85 HA ASN 85 -2.303 -5.370 0.933 475 HB2 ASN 85 2HB ASN 85 -5.281 -5.890 0.908 476 HB3 ASN 85 3HB ASN 85 -4.193 -7.220 1.369 477 HD21 ASN 85 2HD2 ASN 85 -4.725 -4.028 3.837 478 HD22 ASN 85 1HD2 ASN 85 -4.978 -3.868 2.111 479 H GLN 86 H GLN 86 -4.649 -6.468 -1.695 480 HA GLN 86 HA GLN 86 -3.269 -8.804 -2.326 481 HB2 GLN 86 2HB GLN 86 -5.655 -7.768 -2.731 482 HB3 GLN 86 3HB GLN 86 -4.948 -6.966 -4.110 483 HG2 GLN 86 2HG GLN 86 -6.065 -8.955 -4.729 484 HG3 GLN 86 3HG GLN 86 -4.327 -9.090 -5.061 485 HE21 GLN 86 2HE2 GLN 86 -4.790 -12.388 -3.617 486 HE22 GLN 86 1HE2 GLN 86 -4.462 -11.478 -5.094 487 H ALA 87 H ALA 87 -2.582 -5.524 -3.232 488 HA ALA 87 HA ALA 87 -1.198 -5.934 -5.696 489 HB1 ALA 87 1HB ALA 87 -1.892 -3.714 -4.776 490 HB2 ALA 87 2HB ALA 87 -0.625 -3.853 -3.534 491 HB3 ALA 87 3HB ALA 87 -0.179 -3.755 -5.246 492 H LEU 88 H LEU 88 -0.061 -6.207 -2.317 493 HA LEU 88 HA LEU 88 2.490 -7.372 -3.372 494 HB2 LEU 88 2HB LEU 88 3.790 -6.252 -1.944 495 HB3 LEU 88 3HB LEU 88 2.693 -5.048 -2.576 496 HG LEU 88 HG LEU 88 2.922 -4.419 -0.380 497 HD11 LEU 88 1HD1 LEU 88 0.884 -4.727 0.822 498 HD12 LEU 88 2HD1 LEU 88 0.510 -6.208 -0.063 499 HD13 LEU 88 3HD1 LEU 88 0.499 -4.639 -0.904 500 HD21 LEU 88 3HD2 LEU 88 2.612 -7.232 0.717 501 HD22 LEU 88 1HD2 LEU 88 3.130 -5.761 1.546 502 HD23 LEU 88 2HD2 LEU 88 4.168 -6.451 0.290 503 H LYS 89 H LYS 89 -0.177 -8.343 -1.881 504 HA LYS 89 HA LYS 89 0.425 -9.936 0.285 505 HB2 LYS 89 2HB LYS 89 -1.789 -9.808 -0.615 506 HB3 LYS 89 3HB LYS 89 -1.293 -10.525 -2.156 507 HG2 LYS 89 2HG LYS 89 -0.820 -12.622 -1.206 508 HG3 LYS 89 3HG LYS 89 -0.792 -12.056 0.426 509 HD2 LYS 89 2HD LYS 89 -3.296 -12.005 -1.292 510 HD3 LYS 89 3HD LYS 89 -2.800 -13.421 -0.335 511 HE2 LYS 89 2HE LYS 89 -2.755 -11.933 1.694 512 HE3 LYS 89 3HE LYS 89 -3.532 -10.663 0.727 513 HZ1 LYS 89 3HZ LYS 89 -4.674 -13.388 1.057 514 HZ2 LYS 89 1HZ LYS 89 -5.461 -12.085 0.463 515 HZ3 LYS 89 2HZ LYS 89 -5.074 -12.182 2.065 516 H GLU 90 H GLU 90 1.169 -10.688 -3.128 517 HA GLU 90 HA GLU 90 2.139 -13.237 -2.297 518 HB2 GLU 90 2HB GLU 90 1.547 -11.793 -4.851 519 HB3 GLU 90 3HB GLU 90 2.709 -13.076 -4.942 520 HG2 GLU 90 2HG GLU 90 1.037 -14.612 -3.799 521 HG3 GLU 90 3HG GLU 90 -0.136 -13.301 -3.884 522 H GLU 91 H GLU 91 3.649 -10.232 -2.244 523 HA GLU 91 HA GLU 91 6.410 -11.184 -2.755 524 HB2 GLU 91 2HB GLU 91 5.078 -8.465 -2.339 525 HB3 GLU 91 3HB GLU 91 6.770 -8.686 -2.352 526 HG2 GLU 91 2HG GLU 91 4.820 -8.912 -4.623 527 HG3 GLU 91 3HG GLU 91 6.221 -7.847 -4.446 528 H ILE 92 H ILE 92 4.496 -9.353 -0.307 529 HA ILE 92 HA ILE 92 6.017 -10.653 1.891 530 HB ILE 92 HB ILE 92 5.539 -7.653 1.767 531 HG12 ILE 92 2HG1 ILE 92 8.046 -9.371 1.592 532 HG13 ILE 92 3HG1 ILE 92 7.424 -8.255 0.374 533 HG21 ILE 92 1HG2 ILE 92 5.186 -8.667 4.055 534 HG22 ILE 92 2HG2 ILE 92 6.813 -9.362 3.959 535 HG23 ILE 92 3HG2 ILE 92 6.575 -7.602 3.996 536 HD11 ILE 92 3HD1 ILE 92 8.664 -7.527 3.040 537 HD12 ILE 92 1HD1 ILE 92 9.310 -7.232 1.419 538 HD13 ILE 92 2HD1 ILE 92 7.855 -6.358 1.960 539 H LYS 93 H LYS 93 4.334 -11.967 2.245 540 HA LYS 93 HA LYS 93 1.648 -11.132 2.163 541 HB2 LYS 93 2HB LYS 93 1.221 -13.393 2.949 542 HB3 LYS 93 3HB LYS 93 2.461 -13.418 1.710 543 HG2 LYS 93 2HG LYS 93 4.204 -13.742 3.430 544 HG3 LYS 93 3HG LYS 93 3.005 -13.532 4.703 545 HD2 LYS 93 2HD LYS 93 3.464 -15.879 4.503 546 HD3 LYS 93 3HD LYS 93 1.826 -15.589 3.889 547 HE2 LYS 93 2HE LYS 93 2.771 -15.536 1.558 548 HE3 LYS 93 3HE LYS 93 4.368 -15.908 2.225 549 HZ1 LYS 93 3HZ LYS 93 1.968 -17.648 2.352 550 HZ2 LYS 93 1HZ LYS 93 3.394 -18.002 3.083 551 HZ3 LYS 93 2HZ LYS 93 3.324 -17.920 1.453 552 H GLU 94 H GLU 94 3.896 -10.868 4.765 553 HA GLU 94 HA GLU 94 2.089 -11.224 6.906 554 HB2 GLU 94 2HB GLU 94 3.840 -10.813 8.411 555 HB3 GLU 94 3HB GLU 94 4.414 -11.787 7.067 556 HG2 GLU 94 2HG GLU 94 5.478 -9.745 6.094 557 HG3 GLU 94 3HG GLU 94 5.018 -8.839 7.534 558 H MET 95 H MET 95 0.723 -9.461 5.529 559 HA MET 95 HA MET 95 1.033 -6.733 6.210 560 HB2 MET 95 2HB MET 95 -1.327 -8.275 5.121 561 HB3 MET 95 3HB MET 95 -1.271 -6.510 5.208 562 HG2 MET 95 2HG MET 95 0.639 -6.378 3.763 563 HG3 MET 95 3HG MET 95 0.865 -8.126 3.753 564 HE1 MET 95 3HE MET 95 -1.775 -9.488 3.329 565 HE2 MET 95 1HE MET 95 -1.956 -9.481 1.569 566 HE3 MET 95 2HE MET 95 -0.364 -9.802 2.303 567 H HIS 96 H HIS 96 0.140 -8.986 8.429 568 HA HIS 96 HA HIS 96 -1.470 -7.300 10.159 569 HB2 HIS 96 2HB HIS 96 -0.538 -8.813 11.942 570 HB3 HIS 96 3HB HIS 96 -1.453 -9.586 10.667 571 HD1 HIS 96 1HD HIS 96 -0.122 -11.255 9.012 572 HD2 HIS 96 2HD HIS 96 2.037 -9.594 12.231 573 HE1 HIS 96 1HE HIS 96 1.944 -12.713 9.340 574 H GLY 97 H GLY 97 1.681 -6.864 8.948 575 HA2 GLY 97 2HA GLY 97 2.420 -4.918 11.100 576 HA3 GLY 97 3HA GLY 97 3.433 -5.483 9.833 577 H LEU 98 H LEU 98 0.833 -4.876 8.017 578 HA LEU 98 HA LEU 98 2.088 -2.308 7.152 579 HB2 LEU 98 2HB LEU 98 0.488 -4.395 5.724 580 HB3 LEU 98 3HB LEU 98 0.568 -2.728 5.150 581 HG LEU 98 HG LEU 98 3.163 -2.933 5.564 582 HD11 LEU 98 1HD1 LEU 98 2.545 -5.846 5.095 583 HD12 LEU 98 2HD1 LEU 98 3.170 -5.139 6.624 584 HD13 LEU 98 3HD1 LEU 98 4.122 -5.084 5.139 585 HD21 LEU 98 3HD2 LEU 98 3.474 -3.674 3.288 586 HD22 LEU 98 1HD2 LEU 98 2.152 -2.516 3.501 587 HD23 LEU 98 2HD2 LEU 98 1.776 -4.246 3.241 588 H ARG 99 H ARG 99 1.334 -0.486 7.440 589 HA ARG 99 HA ARG 99 -1.422 0.042 8.521 590 HB2 ARG 99 2HB ARG 99 0.659 0.609 9.851 591 HB3 ARG 99 3HB ARG 99 0.960 1.881 8.658 592 HG2 ARG 99 2HG ARG 99 -1.416 2.715 9.121 593 HG3 ARG 99 3HG ARG 99 -1.518 1.508 10.419 594 HD2 ARG 99 2HD ARG 99 0.497 2.529 11.472 595 HD3 ARG 99 3HD ARG 99 0.517 3.728 10.168 596 HE ARG 99 HE ARG 99 -2.055 3.889 11.257 597 HH11 ARG 99 1HH1 ARG 99 1.146 4.306 12.647 598 HH12 ARG 99 2HH1 ARG 99 0.520 5.196 14.014 599 HH21 ARG 99 2HH2 ARG 99 -1.578 5.801 14.074 600 HH22 ARG 99 1HH2 ARG 99 -2.714 5.335 12.834 601 H ILE 100 H ILE 100 -2.742 0.334 6.811 602 HA ILE 100 HA ILE 100 -1.801 2.077 4.563 603 HB ILE 100 HB ILE 100 -4.036 0.015 4.356 604 HG12 ILE 100 2HG1 ILE 100 -1.080 -0.535 3.957 605 HG13 ILE 100 3HG1 ILE 100 -2.233 -1.303 5.068 606 HG21 ILE 100 1HG2 ILE 100 -3.976 1.687 2.557 607 HG22 ILE 100 2HG2 ILE 100 -2.265 1.311 2.247 608 HG23 ILE 100 3HG2 ILE 100 -3.551 0.123 1.945 609 HD11 ILE 100 3HD1 ILE 100 -1.986 -2.883 3.365 610 HD12 ILE 100 1HD1 ILE 100 -3.533 -2.064 3.034 611 HD13 ILE 100 2HD1 ILE 100 -2.086 -1.670 2.081 612 H PHE 101 H PHE 101 -2.677 3.460 3.697 613 HA PHE 101 HA PHE 101 -5.163 4.745 4.693 614 HB2 PHE 101 2HB PHE 101 -2.375 5.718 3.993 615 HB3 PHE 101 3HB PHE 101 -3.701 6.757 4.319 616 HD1 PHE 101 1HD PHE 101 -1.059 4.756 5.714 617 HD2 PHE 101 2HD PHE 101 -4.789 6.702 6.682 618 HE1 PHE 101 1HE PHE 101 -0.459 4.703 8.094 619 HE2 PHE 101 2HE PHE 101 -4.152 6.695 9.088 620 HZ PHE 101 HZ PHE 101 -1.974 5.753 9.796 621 H THR 102 H THR 102 -6.471 5.492 3.109 622 HA THR 102 HA THR 102 -5.699 5.704 0.213 623 HB THR 102 HB THR 102 -7.910 4.484 -0.245 624 HG1 THR 102 1HG THR 102 -8.982 3.952 1.451 625 HG21 THR 102 1HG2 THR 102 -5.704 2.785 1.006 626 HG22 THR 102 2HG2 THR 102 -5.783 3.327 -0.684 627 HG23 THR 102 3HG2 THR 102 -6.990 2.200 -0.067 628 H SER 103 H SER 103 -7.200 6.915 -0.933 629 HA SER 103 HA SER 103 -9.565 8.029 0.295 630 HB2 SER 103 2HB SER 103 -8.439 10.378 -0.651 631 HB3 SER 103 3HB SER 103 -8.671 9.958 1.039 632 HG SER 103 HG SER 103 -6.486 10.579 -0.170 633 H VAL 104 H VAL 104 -10.579 9.652 -1.448 634 HA VAL 104 HA VAL 104 -9.857 8.776 -4.183 635 HB VAL 104 HB VAL 104 -11.434 7.145 -3.477 636 HG11 VAL 104 1HG1 VAL 104 -13.679 9.104 -3.176 637 HG12 VAL 104 2HG1 VAL 104 -13.518 7.399 -2.650 638 HG13 VAL 104 3HG1 VAL 104 -12.674 8.668 -1.780 639 HG21 VAL 104 3HG2 VAL 104 -11.460 8.025 -5.769 640 HG22 VAL 104 1HG2 VAL 104 -12.985 7.313 -5.317 641 HG23 VAL 104 2HG2 VAL 104 -12.821 9.078 -5.377 642 HA PRO 105 HA PRO 105 -10.808 13.060 -4.780 643 HB2 PRO 105 2HB PRO 105 -10.105 13.314 -7.410 644 HB3 PRO 105 3HB PRO 105 -8.965 13.213 -6.037 645 HG2 PRO 105 2HG PRO 105 -9.847 11.007 -7.928 646 HG3 PRO 105 3HG PRO 105 -8.189 11.344 -7.329 647 HD2 PRO 105 2HD PRO 105 -9.807 9.451 -6.238 648 HD3 PRO 105 3HD PRO 105 -8.550 10.312 -5.330 649 H LYS 106 H LYS 106 -12.923 13.117 -4.512 650 HA LYS 106 HA LYS 106 -14.590 13.350 -6.928 651 HB2 LYS 106 2HB LYS 106 -15.159 11.156 -6.047 652 HB3 LYS 106 3HB LYS 106 -15.370 11.794 -4.424 653 HG2 LYS 106 2HG LYS 106 -17.276 12.914 -4.920 654 HG3 LYS 106 3HG LYS 106 -16.959 13.058 -6.657 655 HD2 LYS 106 2HD LYS 106 -18.807 11.488 -6.339 656 HD3 LYS 106 3HD LYS 106 -17.394 10.703 -7.031 657 HE2 LYS 106 2HE LYS 106 -18.071 9.139 -5.476 658 HE3 LYS 106 3HE LYS 106 -16.804 10.004 -4.594 659 HZ1 LYS 106 3HZ LYS 106 -18.760 9.674 -3.251 660 HZ2 LYS 106 1HZ LYS 106 -19.732 10.422 -4.335 661 HZ3 LYS 106 2HZ LYS 106 -18.614 11.294 -3.504 662 H ARG 107 H ARG 107 -13.623 15.398 -6.506 663 HA ARG 107 HA ARG 107 -14.618 17.037 -4.230 664 HB2 ARG 107 2HB ARG 107 -12.192 17.020 -4.771 665 HB3 ARG 107 3HB ARG 107 -12.559 17.633 -6.393 666 HG2 ARG 107 2HG ARG 107 -13.526 19.684 -5.401 667 HG3 ARG 107 3HG ARG 107 -13.179 19.070 -3.769 668 HD2 ARG 107 2HD ARG 107 -10.764 19.079 -4.285 669 HD3 ARG 107 3HD ARG 107 -11.119 19.599 -5.942 670 HE ARG 107 HE ARG 107 -12.272 21.440 -4.086 671 HH11 ARG 107 1HH1 ARG 107 -9.089 20.625 -5.421 672 HH12 ARG 107 2HH1 ARG 107 -8.519 22.265 -5.133 673 HH21 ARG 107 2HH2 ARG 107 -9.877 23.840 -4.534 674 HH22 ARG 107 1HH2 ARG 107 -11.439 23.443 -3.854 Start of MODEL 14 1 H1 ALA 27 H1 ALA 27 19.831 3.056 10.036 2 H2 ALA 27 H2 ALA 27 18.735 4.149 10.629 3 H3 ALA 27 H3 ALA 27 19.448 4.393 9.161 4 HA ALA 27 HA ALA 27 18.436 2.420 8.281 5 HB1 ALA 27 1HB ALA 27 16.634 1.336 9.535 6 HB2 ALA 27 2HB ALA 27 18.142 1.286 10.471 7 HB3 ALA 27 3HB ALA 27 16.878 2.458 10.894 8 H THR 28 H THR 28 16.930 2.937 6.814 9 HA THR 28 HA THR 28 14.716 4.750 7.371 10 HB THR 28 HB THR 28 16.632 6.304 6.874 11 HG1 THR 28 1HG THR 28 15.504 7.574 5.582 12 HG21 THR 28 1HG2 THR 28 17.809 4.828 5.199 13 HG22 THR 28 2HG2 THR 28 17.527 6.481 4.623 14 HG23 THR 28 3HG2 THR 28 16.500 5.149 4.050 15 H GLN 29 H GLN 29 16.134 2.405 5.447 16 HA GLN 29 HA GLN 29 13.674 1.932 3.994 17 HB2 GLN 29 2HB GLN 29 15.563 3.651 2.713 18 HB3 GLN 29 3HB GLN 29 15.681 2.106 1.867 19 HG2 GLN 29 2HG GLN 29 13.355 2.106 1.337 20 HG3 GLN 29 3HG GLN 29 13.002 3.322 2.567 21 HE21 GLN 29 2HE2 GLN 29 12.604 5.535 -0.071 22 HE22 GLN 29 1HE2 GLN 29 11.818 4.454 1.081 23 H THR 30 H THR 30 13.387 -0.011 3.304 24 HA THR 30 HA THR 30 15.447 -2.080 3.796 25 HB THR 30 HB THR 30 13.625 -3.693 3.892 26 HG1 THR 30 1HG THR 30 11.531 -2.925 3.921 27 HG21 THR 30 1HG2 THR 30 12.489 -2.848 5.958 28 HG22 THR 30 2HG2 THR 30 13.300 -1.291 5.718 29 HG23 THR 30 3HG2 THR 30 14.256 -2.748 6.013 30 H GLU 31 H GLU 31 15.113 -4.132 2.255 31 HA GLU 31 HA GLU 31 15.077 -3.430 -0.579 32 HB2 GLU 31 2HB GLU 31 14.833 -6.052 0.953 33 HB3 GLU 31 3HB GLU 31 14.860 -5.933 -0.800 34 HG2 GLU 31 2HG GLU 31 17.107 -5.041 -0.803 35 HG3 GLU 31 3HG GLU 31 17.109 -4.897 0.961 36 H GLY 32 H GLY 32 12.661 -4.564 1.766 37 HA2 GLY 32 2HA GLY 32 10.563 -5.209 -0.051 38 HA3 GLY 32 3HA GLY 32 10.402 -4.867 1.674 39 H GLU 33 H GLU 33 11.253 -2.121 1.715 40 HA GLU 33 HA GLU 33 8.957 -0.715 1.255 41 HB2 GLU 33 2HB GLU 33 11.412 -0.263 2.349 42 HB3 GLU 33 3HB GLU 33 11.624 0.683 0.911 43 HG2 GLU 33 2HG GLU 33 9.122 1.075 2.511 44 HG3 GLU 33 3HG GLU 33 10.633 1.536 3.264 45 H LEU 34 H LEU 34 11.745 -0.860 -0.945 46 HA LEU 34 HA LEU 34 10.697 0.826 -3.008 47 HB2 LEU 34 2HB LEU 34 12.747 -1.379 -3.341 48 HB3 LEU 34 3HB LEU 34 12.631 0.146 -4.226 49 HG LEU 34 HG LEU 34 13.485 -0.282 -1.357 50 HD11 LEU 34 1HD1 LEU 34 15.177 -0.872 -3.035 51 HD12 LEU 34 2HD1 LEU 34 15.663 0.565 -2.123 52 HD13 LEU 34 3HD1 LEU 34 15.029 0.737 -3.778 53 HD21 LEU 34 3HD2 LEU 34 14.055 2.161 -1.334 54 HD22 LEU 34 1HD2 LEU 34 12.315 1.890 -1.469 55 HD23 LEU 34 2HD2 LEU 34 13.246 2.343 -2.910 56 H ARG 35 H ARG 35 10.994 -2.649 -2.646 57 HA ARG 35 HA ARG 35 9.983 -3.714 -5.067 58 HB2 ARG 35 2HB ARG 35 11.163 -4.975 -3.381 59 HB3 ARG 35 3HB ARG 35 9.901 -4.703 -2.201 60 HG2 ARG 35 2HG ARG 35 8.833 -6.531 -2.832 61 HG3 ARG 35 3HG ARG 35 8.535 -5.871 -4.408 62 HD2 ARG 35 2HD ARG 35 9.699 -7.898 -4.788 63 HD3 ARG 35 3HD ARG 35 10.781 -6.601 -5.198 64 HE ARG 35 HE ARG 35 12.276 -7.316 -3.639 65 HH11 ARG 35 1HH1 ARG 35 9.415 -9.069 -2.693 66 HH12 ARG 35 2HH1 ARG 35 10.047 -9.318 -1.069 67 HH21 ARG 35 2HH2 ARG 35 11.978 -8.872 -0.600 68 HH22 ARG 35 1HH2 ARG 35 13.104 -8.129 -1.728 69 H VAL 36 H VAL 36 8.301 -3.042 -2.042 70 HA VAL 36 HA VAL 36 5.669 -3.726 -2.930 71 HB VAL 36 HB VAL 36 6.709 -2.023 -0.622 72 HG11 VAL 36 1HG1 VAL 36 4.562 -1.040 -1.038 73 HG12 VAL 36 2HG1 VAL 36 3.814 -2.623 -1.324 74 HG13 VAL 36 3HG1 VAL 36 4.363 -2.161 0.307 75 HG21 VAL 36 3HG2 VAL 36 7.035 -4.502 -0.515 76 HG22 VAL 36 1HG2 VAL 36 5.928 -3.919 0.733 77 HG23 VAL 36 2HG2 VAL 36 5.296 -4.724 -0.719 78 H THR 37 H THR 37 7.427 -0.566 -2.638 79 HA THR 37 HA THR 37 5.337 1.039 -3.589 80 HB THR 37 HB THR 37 8.269 1.504 -4.078 81 HG1 THR 37 1HG THR 37 7.907 1.317 -1.872 82 HG21 THR 37 1HG2 THR 37 7.690 3.922 -4.047 83 HG22 THR 37 2HG2 THR 37 5.968 3.481 -3.983 84 HG23 THR 37 3HG2 THR 37 6.963 3.075 -5.402 85 H GLN 38 H GLN 38 7.742 -0.762 -5.463 86 HA GLN 38 HA GLN 38 7.093 0.341 -8.026 87 HB2 GLN 38 2HB GLN 38 8.117 -2.442 -7.306 88 HB3 GLN 38 3HB GLN 38 8.021 -1.780 -8.906 89 HG2 GLN 38 2HG GLN 38 10.051 -1.341 -6.810 90 HG3 GLN 38 3HG GLN 38 10.218 -1.355 -8.540 91 HE21 GLN 38 2HE2 GLN 38 10.085 2.188 -6.601 92 HE22 GLN 38 1HE2 GLN 38 9.929 0.645 -5.752 93 H ILE 39 H ILE 39 5.667 -2.443 -6.294 94 HA ILE 39 HA ILE 39 3.878 -3.112 -8.534 95 HB ILE 39 HB ILE 39 3.872 -4.090 -5.647 96 HG12 ILE 39 2HG1 ILE 39 5.048 -5.447 -8.118 97 HG13 ILE 39 3HG1 ILE 39 6.020 -4.560 -6.959 98 HG21 ILE 39 1HG2 ILE 39 2.605 -6.035 -6.782 99 HG22 ILE 39 2HG2 ILE 39 1.718 -4.521 -6.656 100 HG23 ILE 39 3HG2 ILE 39 2.462 -4.982 -8.198 101 HD11 ILE 39 3HD1 ILE 39 6.216 -6.862 -6.438 102 HD12 ILE 39 1HD1 ILE 39 5.264 -6.100 -5.144 103 HD13 ILE 39 2HD1 ILE 39 4.466 -7.099 -6.381 104 H LEU 40 H LEU 40 3.600 -1.189 -5.547 105 HA LEU 40 HA LEU 40 0.804 -0.727 -5.626 106 HB2 LEU 40 2HB LEU 40 3.161 1.037 -4.768 107 HB3 LEU 40 3HB LEU 40 1.493 1.582 -4.699 108 HG LEU 40 HG LEU 40 2.771 -0.747 -3.230 109 HD11 LEU 40 1HD1 LEU 40 3.139 1.600 -2.441 110 HD12 LEU 40 2HD1 LEU 40 2.305 0.579 -1.260 111 HD13 LEU 40 3HD1 LEU 40 1.388 1.767 -2.220 112 HD21 LEU 40 3HD2 LEU 40 -0.170 -0.017 -3.350 113 HD22 LEU 40 1HD2 LEU 40 0.547 -0.934 -2.000 114 HD23 LEU 40 2HD2 LEU 40 0.585 -1.600 -3.630 115 H LYS 41 H LYS 41 3.288 0.886 -7.588 116 HA LYS 41 HA LYS 41 1.558 2.819 -8.768 117 HB2 LYS 41 2HB LYS 41 3.959 1.674 -10.157 118 HB3 LYS 41 3HB LYS 41 3.177 3.245 -10.404 119 HG2 LYS 41 2HG LYS 41 3.629 3.437 -7.780 120 HG3 LYS 41 3HG LYS 41 4.860 2.251 -8.151 121 HD2 LYS 41 2HD LYS 41 5.884 3.724 -9.803 122 HD3 LYS 41 3HD LYS 41 4.676 4.987 -9.476 123 HE2 LYS 41 2HE LYS 41 5.393 5.178 -7.157 124 HE3 LYS 41 3HE LYS 41 6.450 3.772 -7.324 125 HZ1 LYS 41 3HZ LYS 41 7.637 5.891 -7.397 126 HZ2 LYS 41 1HZ LYS 41 6.894 6.318 -8.805 127 HZ3 LYS 41 2HZ LYS 41 7.891 5.000 -8.745 128 H GLU 42 H GLU 42 1.980 -0.607 -9.602 129 HA GLU 42 HA GLU 42 0.648 -0.473 -12.110 130 HB2 GLU 42 2HB GLU 42 1.906 -2.330 -10.262 131 HB3 GLU 42 3HB GLU 42 0.980 -3.026 -11.396 132 HG2 GLU 42 2HG GLU 42 2.370 -1.841 -13.069 133 HG3 GLU 42 3HG GLU 42 3.473 -1.370 -11.790 134 H LYS 43 H LYS 43 -0.170 -1.634 -8.794 135 HA LYS 43 HA LYS 43 -2.727 -2.420 -9.836 136 HB2 LYS 43 2HB LYS 43 -1.765 -2.131 -6.970 137 HB3 LYS 43 3HB LYS 43 -3.423 -2.579 -7.402 138 HG2 LYS 43 2HG LYS 43 -0.970 -4.149 -8.155 139 HG3 LYS 43 3HG LYS 43 -2.065 -4.526 -6.845 140 HD2 LYS 43 2HD LYS 43 -3.909 -4.985 -8.224 141 HD3 LYS 43 3HD LYS 43 -3.130 -4.374 -9.666 142 HE2 LYS 43 2HE LYS 43 -1.481 -6.185 -9.629 143 HE3 LYS 43 3HE LYS 43 -2.161 -6.800 -8.115 144 HZ1 LYS 43 3HZ LYS 43 -4.221 -7.249 -9.248 145 HZ2 LYS 43 1HZ LYS 43 -3.031 -8.015 -10.019 146 HZ3 LYS 43 2HZ LYS 43 -3.668 -6.632 -10.681 147 H PHE 44 H PHE 44 -1.337 0.518 -8.711 148 HA PHE 44 HA PHE 44 -3.912 1.823 -9.213 149 HB2 PHE 44 2HB PHE 44 -1.997 2.638 -6.979 150 HB3 PHE 44 3HB PHE 44 -3.632 3.239 -7.264 151 HD1 PHE 44 1HD PHE 44 -5.609 1.881 -6.811 152 HD2 PHE 44 2HD PHE 44 -1.667 0.458 -5.804 153 HE1 PHE 44 1HE PHE 44 -6.597 0.036 -5.476 154 HE2 PHE 44 2HE PHE 44 -2.658 -1.419 -4.531 155 HZ PHE 44 HZ PHE 44 -5.126 -1.616 -4.371 156 HA PRO 45 HA PRO 45 -0.802 4.110 -11.801 157 HB2 PRO 45 2HB PRO 45 -1.901 3.550 -14.263 158 HB3 PRO 45 3HB PRO 45 -0.635 2.554 -13.477 159 HG2 PRO 45 2HG PRO 45 -3.650 2.149 -13.419 160 HG3 PRO 45 3HG PRO 45 -2.387 0.940 -13.816 161 HD2 PRO 45 2HD PRO 45 -3.315 0.925 -11.361 162 HD3 PRO 45 3HD PRO 45 -1.607 0.921 -11.525 163 H ARG 46 H ARG 46 -4.326 4.094 -11.548 164 HA ARG 46 HA ARG 46 -4.528 6.790 -12.674 165 HB2 ARG 46 2HB ARG 46 -6.556 5.213 -11.053 166 HB3 ARG 46 3HB ARG 46 -6.859 6.662 -11.982 167 HG2 ARG 46 2HG ARG 46 -6.072 3.960 -13.149 168 HG3 ARG 46 3HG ARG 46 -7.677 4.681 -13.109 169 HD2 ARG 46 2HD ARG 46 -6.875 6.554 -14.534 170 HD3 ARG 46 3HD ARG 46 -5.287 5.758 -14.650 171 HE ARG 46 HE ARG 46 -6.959 3.758 -15.448 172 HH11 ARG 46 1HH1 ARG 46 -6.261 6.932 -16.782 173 HH12 ARG 46 2HH1 ARG 46 -7.044 6.479 -18.304 174 HH21 ARG 46 2HH2 ARG 46 -7.760 4.601 -18.669 175 HH22 ARG 46 1HH2 ARG 46 -8.096 3.450 -17.376 176 H ALA 47 H ALA 47 -3.454 5.596 -9.680 177 HA ALA 47 HA ALA 47 -4.649 7.250 -7.828 178 HB1 ALA 47 1HB ALA 47 -2.707 6.759 -6.385 179 HB2 ALA 47 2HB ALA 47 -3.289 5.331 -7.229 180 HB3 ALA 47 3HB ALA 47 -1.810 6.161 -7.781 181 H THR 48 H THR 48 -4.242 9.076 -6.740 182 HA THR 48 HA THR 48 -2.627 11.210 -8.086 183 HB THR 48 HB THR 48 -3.902 12.724 -6.670 184 HG1 THR 48 1HG THR 48 -5.304 11.916 -5.205 185 HG21 THR 48 1HG2 THR 48 -6.091 12.494 -7.754 186 HG22 THR 48 2HG2 THR 48 -5.780 10.796 -8.133 187 HG23 THR 48 3HG2 THR 48 -4.829 12.071 -8.925 188 H ALA 49 H ALA 49 -2.965 9.367 -5.032 189 HA ALA 49 HA ALA 49 -0.182 10.243 -4.393 190 HB1 ALA 49 1HB ALA 49 -1.768 11.272 -2.784 191 HB2 ALA 49 2HB ALA 49 -2.373 9.654 -2.364 192 HB3 ALA 49 3HB ALA 49 -0.696 10.087 -2.013 193 H ILE 50 H ILE 50 1.228 8.676 -3.903 194 HA ILE 50 HA ILE 50 0.550 5.976 -3.047 195 HB ILE 50 HB ILE 50 2.200 5.140 -4.995 196 HG12 ILE 50 2HG1 ILE 50 0.589 7.170 -6.588 197 HG13 ILE 50 3HG1 ILE 50 2.231 7.506 -6.036 198 HG21 ILE 50 1HG2 ILE 50 -0.768 5.391 -5.522 199 HG22 ILE 50 2HG2 ILE 50 0.339 4.161 -6.151 200 HG23 ILE 50 3HG2 ILE 50 -0.023 4.213 -4.424 201 HD11 ILE 50 3HD1 ILE 50 1.474 5.186 -7.853 202 HD12 ILE 50 1HD1 ILE 50 2.233 6.712 -8.345 203 HD13 ILE 50 2HD1 ILE 50 3.107 5.605 -7.274 204 H LYS 51 H LYS 51 1.803 6.143 -1.286 205 HA LYS 51 HA LYS 51 4.745 6.313 -1.636 206 HB2 LYS 51 2HB LYS 51 4.978 8.041 0.016 207 HB3 LYS 51 3HB LYS 51 4.088 8.572 -1.394 208 HG2 LYS 51 2HG LYS 51 1.950 7.989 0.101 209 HG3 LYS 51 3HG LYS 51 3.119 8.078 1.426 210 HD2 LYS 51 2HD LYS 51 2.127 10.222 1.225 211 HD3 LYS 51 3HD LYS 51 3.762 10.371 0.528 212 HE2 LYS 51 2HE LYS 51 2.954 10.490 -1.682 213 HE3 LYS 51 3HE LYS 51 1.435 9.684 -1.277 214 HZ1 LYS 51 3HZ LYS 51 1.166 12.103 -1.669 215 HZ2 LYS 51 1HZ LYS 51 2.117 12.445 -0.405 216 HZ3 LYS 51 2HZ LYS 51 0.681 11.639 -0.170 217 H VAL 52 H VAL 52 5.972 5.420 -0.013 218 HA VAL 52 HA VAL 52 4.599 3.636 1.949 219 HB VAL 52 HB VAL 52 6.947 2.845 0.192 220 HG11 VAL 52 1HG1 VAL 52 6.332 0.526 0.853 221 HG12 VAL 52 2HG1 VAL 52 6.830 1.510 2.221 222 HG13 VAL 52 3HG1 VAL 52 5.107 1.187 1.960 223 HG21 VAL 52 3HG2 VAL 52 5.075 3.082 -1.350 224 HG22 VAL 52 1HG2 VAL 52 5.359 1.384 -1.080 225 HG23 VAL 52 2HG2 VAL 52 4.004 2.187 -0.241 226 H THR 53 H THR 53 5.664 3.225 3.922 227 HA THR 53 HA THR 53 8.550 4.061 4.137 228 HB THR 53 HB THR 53 6.326 4.774 6.120 229 HG1 THR 53 1HG THR 53 7.980 6.514 4.586 230 HG21 THR 53 1HG2 THR 53 9.302 5.176 6.271 231 HG22 THR 53 2HG2 THR 53 8.166 4.455 7.445 232 HG23 THR 53 3HG2 THR 53 8.147 6.196 7.161 233 H ASP 54 H ASP 54 9.771 2.589 4.997 234 HA ASP 54 HA ASP 54 8.681 0.245 6.426 235 HB2 ASP 54 2HB ASP 54 10.879 -0.004 5.201 236 HB3 ASP 54 3HB ASP 54 11.471 1.433 5.911 237 H ILE 55 H ILE 55 8.464 -0.022 8.468 238 HA ILE 55 HA ILE 55 9.424 1.989 10.441 239 HB ILE 55 HB ILE 55 7.241 1.828 11.627 240 HG12 ILE 55 2HG1 ILE 55 6.430 0.172 9.213 241 HG13 ILE 55 3HG1 ILE 55 6.143 -0.066 10.870 242 HG21 ILE 55 1HG2 ILE 55 7.971 3.718 10.142 243 HG22 ILE 55 2HG2 ILE 55 7.009 2.995 8.829 244 HG23 ILE 55 3HG2 ILE 55 6.231 3.562 10.315 245 HD11 ILE 55 3HD1 ILE 55 4.803 2.032 9.089 246 HD12 ILE 55 1HD1 ILE 55 4.080 0.525 9.707 247 HD13 ILE 55 2HD1 ILE 55 4.480 1.840 10.832 248 H SER 56 H SER 56 10.428 -0.541 9.497 249 HA SER 56 HA SER 56 10.793 -2.085 11.978 250 HB2 SER 56 2HB SER 56 10.453 -4.168 10.655 251 HB3 SER 56 3HB SER 56 9.024 -3.258 11.088 252 HG SER 56 HG SER 56 10.030 -2.418 8.663 253 H GLY 57 H GLY 57 12.783 -0.485 11.412 254 HA2 GLY 57 2HA GLY 57 14.650 -1.228 9.467 255 HA3 GLY 57 3HA GLY 57 15.025 -0.458 11.007 256 H GLY 58 H GLY 58 13.968 -3.103 12.378 257 HA2 GLY 58 2HA GLY 58 16.542 -4.593 12.236 258 HA3 GLY 58 3HA GLY 58 15.309 -4.700 13.487 259 H CYS 59 H CYS 59 13.502 -4.932 10.760 260 HA CYS 59 HA CYS 59 13.836 -7.888 10.348 261 HB2 CYS 59 2HB CYS 59 12.327 -7.302 12.387 262 HB3 CYS 59 3HB CYS 59 11.204 -6.609 11.228 263 HG CYS 59 HG CYS 59 12.079 -9.650 11.930 264 H GLY 60 H GLY 60 12.408 -4.866 9.401 265 HA2 GLY 60 2HA GLY 60 11.288 -4.013 7.803 266 HA3 GLY 60 3HA GLY 60 12.041 -5.173 6.660 267 H ALA 61 H ALA 61 9.787 -5.876 9.348 268 HA ALA 61 HA ALA 61 7.925 -7.209 7.461 269 HB1 ALA 61 1HB ALA 61 8.969 -8.563 9.226 270 HB2 ALA 61 2HB ALA 61 8.247 -7.507 10.467 271 HB3 ALA 61 3HB ALA 61 7.213 -8.496 9.406 272 H MET 62 H MET 62 7.978 -4.170 8.841 273 HA MET 62 HA MET 62 5.031 -3.911 8.718 274 HB2 MET 62 2HB MET 62 7.053 -2.510 10.525 275 HB3 MET 62 3HB MET 62 5.376 -2.027 10.332 276 HG2 MET 62 2HG MET 62 4.674 -3.362 11.780 277 HG3 MET 62 3HG MET 62 5.385 -4.806 11.010 278 HE1 MET 62 3HE MET 62 6.824 -1.633 12.749 279 HE2 MET 62 1HE MET 62 5.444 -2.219 13.699 280 HE3 MET 62 2HE MET 62 7.084 -2.253 14.404 281 H TYR 63 H TYR 63 4.246 -2.244 7.507 282 HA TYR 63 HA TYR 63 6.050 -0.031 6.800 283 HB2 TYR 63 2HB TYR 63 4.555 -1.580 4.697 284 HB3 TYR 63 3HB TYR 63 5.345 -0.113 4.443 285 HD1 TYR 63 HD1 TYR 63 7.841 -0.088 4.144 286 HD2 TYR 63 HD2 TYR 63 5.728 -3.705 5.159 287 HE1 TYR 63 HE1 TYR 63 9.932 -1.382 3.910 288 HE2 TYR 63 HE2 TYR 63 7.808 -5.014 4.873 289 HH TYR 63 HH TYR 63 10.028 -4.875 4.737 290 H GLU 64 H GLU 64 5.152 1.815 6.432 291 HA GLU 64 HA GLU 64 2.249 2.274 6.761 292 HB2 GLU 64 2HB GLU 64 4.377 3.704 7.637 293 HB3 GLU 64 3HB GLU 64 4.262 4.400 6.026 294 HG2 GLU 64 2HG GLU 64 1.772 4.743 6.536 295 HG3 GLU 64 3HG GLU 64 2.168 4.242 8.172 296 H ILE 65 H ILE 65 0.885 2.573 4.948 297 HA ILE 65 HA ILE 65 2.146 3.278 2.322 298 HB ILE 65 HB ILE 65 0.044 1.122 2.736 299 HG12 ILE 65 2HG1 ILE 65 2.861 0.981 1.563 300 HG13 ILE 65 3HG1 ILE 65 2.394 0.401 3.159 301 HG21 ILE 65 1HG2 ILE 65 1.175 2.359 0.181 302 HG22 ILE 65 2HG2 ILE 65 0.128 0.918 0.220 303 HG23 ILE 65 3HG2 ILE 65 -0.509 2.454 0.743 304 HD11 ILE 65 3HD1 ILE 65 2.515 -1.506 1.742 305 HD12 ILE 65 1HD1 ILE 65 0.785 -1.204 2.026 306 HD13 ILE 65 2HD1 ILE 65 1.539 -0.759 0.480 307 H LYS 66 H LYS 66 1.221 4.977 1.389 308 HA LYS 66 HA LYS 66 -1.575 5.760 2.137 309 HB2 LYS 66 2HB LYS 66 0.935 7.438 2.086 310 HB3 LYS 66 3HB LYS 66 -0.649 8.177 1.820 311 HG2 LYS 66 2HG LYS 66 -1.424 7.590 3.973 312 HG3 LYS 66 3HG LYS 66 -0.111 6.442 4.257 313 HD2 LYS 66 2HD LYS 66 1.494 8.387 4.319 314 HD3 LYS 66 3HD LYS 66 0.101 9.474 4.117 315 HE2 LYS 66 2HE LYS 66 -0.910 8.283 6.187 316 HE3 LYS 66 3HE LYS 66 0.683 7.556 6.425 317 HZ1 LYS 66 3HZ LYS 66 0.422 9.540 7.741 318 HZ2 LYS 66 1HZ LYS 66 0.058 10.457 6.438 319 HZ3 LYS 66 2HZ LYS 66 1.586 9.834 6.609 320 H ILE 67 H ILE 67 -2.887 5.635 0.528 321 HA ILE 67 HA ILE 67 -1.925 6.175 -2.191 322 HB ILE 67 HB ILE 67 -4.073 4.195 -1.512 323 HG12 ILE 67 2HG1 ILE 67 -1.096 3.850 -1.547 324 HG13 ILE 67 3HG1 ILE 67 -2.326 3.123 -0.591 325 HG21 ILE 67 1HG2 ILE 67 -2.545 4.760 -4.074 326 HG22 ILE 67 2HG2 ILE 67 -3.707 3.429 -3.855 327 HG23 ILE 67 3HG2 ILE 67 -4.267 5.066 -3.782 328 HD11 ILE 67 3HD1 ILE 67 -2.879 1.642 -2.557 329 HD12 ILE 67 1HD1 ILE 67 -1.578 2.443 -3.476 330 HD13 ILE 67 2HD1 ILE 67 -1.176 1.532 -2.026 331 H GLU 68 H GLU 68 -3.597 7.108 -3.594 332 HA GLU 68 HA GLU 68 -6.333 7.597 -2.642 333 HB2 GLU 68 2HB GLU 68 -5.074 9.594 -1.839 334 HB3 GLU 68 3HB GLU 68 -4.445 9.789 -3.383 335 HG2 GLU 68 2HG GLU 68 -6.743 10.320 -4.284 336 HG3 GLU 68 3HG GLU 68 -7.429 10.024 -2.706 337 H SER 69 H SER 69 -7.655 7.244 -4.395 338 HA SER 69 HA SER 69 -6.626 7.706 -7.115 339 HB2 SER 69 2HB SER 69 -5.760 5.410 -6.515 340 HB3 SER 69 3HB SER 69 -7.422 4.906 -6.264 341 HG SER 69 HG SER 69 -6.885 4.405 -8.375 342 H GLU 70 H GLU 70 -8.138 8.059 -8.511 343 HA GLU 70 HA GLU 70 -10.827 8.673 -7.937 344 HB2 GLU 70 2HB GLU 70 -9.205 8.060 -10.326 345 HB3 GLU 70 3HB GLU 70 -10.896 8.525 -10.554 346 HG2 GLU 70 2HG GLU 70 -10.440 10.726 -9.684 347 HG3 GLU 70 3HG GLU 70 -8.829 10.236 -9.122 348 H GLU 71 H GLU 71 -9.488 5.508 -8.499 349 HA GLU 71 HA GLU 71 -11.951 4.276 -9.461 350 HB2 GLU 71 2HB GLU 71 -10.799 2.272 -9.498 351 HB3 GLU 71 3HB GLU 71 -9.618 3.498 -9.957 352 HG2 GLU 71 2HG GLU 71 -9.102 3.468 -7.328 353 HG3 GLU 71 3HG GLU 71 -9.824 1.865 -7.421 354 H PHE 72 H PHE 72 -10.769 5.119 -6.291 355 HA PHE 72 HA PHE 72 -11.961 2.849 -4.955 356 HB2 PHE 72 2HB PHE 72 -10.485 5.339 -4.143 357 HB3 PHE 72 3HB PHE 72 -11.219 4.381 -2.909 358 HD1 PHE 72 1HD PHE 72 -8.245 5.166 -3.716 359 HD2 PHE 72 2HD PHE 72 -10.605 1.556 -3.782 360 HE1 PHE 72 1HE PHE 72 -6.200 3.817 -3.306 361 HE2 PHE 72 2HE PHE 72 -8.559 0.221 -3.400 362 HZ PHE 72 HZ PHE 72 -6.360 1.348 -3.159 363 H LYS 73 H LYS 73 -13.902 4.907 -6.290 364 HA LYS 73 HA LYS 73 -15.148 6.278 -4.075 365 HB2 LYS 73 2HB LYS 73 -16.759 7.138 -5.779 366 HB3 LYS 73 3HB LYS 73 -15.079 7.526 -6.042 367 HG2 LYS 73 2HG LYS 73 -15.018 6.521 -8.038 368 HG3 LYS 73 3HG LYS 73 -15.744 5.029 -7.428 369 HD2 LYS 73 2HD LYS 73 -17.981 5.965 -7.611 370 HD3 LYS 73 3HD LYS 73 -17.328 7.516 -8.210 371 HE2 LYS 73 2HE LYS 73 -16.476 6.520 -10.205 372 HE3 LYS 73 3HE LYS 73 -16.566 4.903 -9.505 373 HZ1 LYS 73 3HZ LYS 73 -19.007 5.094 -9.570 374 HZ2 LYS 73 1HZ LYS 73 -18.422 5.235 -11.069 375 HZ3 LYS 73 2HZ LYS 73 -18.910 6.588 -10.270 376 H GLU 74 H GLU 74 -16.318 3.343 -5.728 377 HA GLU 74 HA GLU 74 -18.825 3.469 -4.126 378 HB2 GLU 74 2HB GLU 74 -19.287 2.615 -6.146 379 HB3 GLU 74 3HB GLU 74 -17.785 1.755 -6.333 380 HG2 GLU 74 2HG GLU 74 -19.822 0.803 -4.289 381 HG3 GLU 74 3HG GLU 74 -20.076 0.510 -5.990 382 H LYS 75 H LYS 75 -15.623 2.185 -3.862 383 HA LYS 75 HA LYS 75 -16.166 0.010 -2.118 384 HB2 LYS 75 2HB LYS 75 -13.616 1.643 -2.412 385 HB3 LYS 75 3HB LYS 75 -13.711 0.032 -1.696 386 HG2 LYS 75 2HG LYS 75 -14.290 0.772 -4.582 387 HG3 LYS 75 3HG LYS 75 -12.831 -0.006 -4.001 388 HD2 LYS 75 2HD LYS 75 -13.871 -2.045 -3.597 389 HD3 LYS 75 3HD LYS 75 -15.506 -1.359 -3.493 390 HE2 LYS 75 2HE LYS 75 -15.220 -0.606 -5.895 391 HE3 LYS 75 3HE LYS 75 -13.844 -1.736 -5.979 392 HZ1 LYS 75 3HZ LYS 75 -16.718 -2.290 -5.609 393 HZ2 LYS 75 1HZ LYS 75 -15.597 -3.426 -5.133 394 HZ3 LYS 75 2HZ LYS 75 -15.697 -2.957 -6.698 395 H ARG 76 H ARG 76 -16.485 -0.292 -0.067 396 HA ARG 76 HA ARG 76 -16.605 1.703 1.949 397 HB2 ARG 76 2HB ARG 76 -16.028 -1.234 2.388 398 HB3 ARG 76 3HB ARG 76 -16.857 -0.074 3.352 399 HG2 ARG 76 2HG ARG 76 -18.631 0.086 1.462 400 HG3 ARG 76 3HG ARG 76 -17.919 -1.455 0.927 401 HD2 ARG 76 2HD ARG 76 -18.375 -2.433 3.146 402 HD3 ARG 76 3HD ARG 76 -19.086 -0.902 3.670 403 HE ARG 76 HE ARG 76 -20.271 -2.936 1.887 404 HH11 ARG 76 1HH1 ARG 76 -20.677 0.402 3.074 405 HH12 ARG 76 2HH1 ARG 76 -22.296 0.451 2.401 406 HH21 ARG 76 2HH2 ARG 76 -23.193 -1.130 1.485 407 HH22 ARG 76 1HH2 ARG 76 -22.391 -2.632 1.080 408 H THR 77 H THR 77 -15.060 1.977 3.728 409 HA THR 77 HA THR 77 -12.380 2.161 3.597 410 HB THR 77 HB THR 77 -13.886 0.744 5.801 411 HG1 THR 77 1HG THR 77 -13.387 3.518 5.472 412 HG21 THR 77 1HG2 THR 77 -12.209 1.898 7.329 413 HG22 THR 77 2HG2 THR 77 -11.275 2.339 5.882 414 HG23 THR 77 3HG2 THR 77 -11.507 0.631 6.316 415 H VAL 78 H VAL 78 -13.825 -0.932 4.581 416 HA VAL 78 HA VAL 78 -11.417 -2.454 4.524 417 HB VAL 78 HB VAL 78 -13.278 -3.037 5.887 418 HG11 VAL 78 1HG1 VAL 78 -14.898 -3.662 3.401 419 HG12 VAL 78 2HG1 VAL 78 -15.388 -3.894 5.086 420 HG13 VAL 78 3HG1 VAL 78 -15.134 -2.257 4.475 421 HG21 VAL 78 3HG2 VAL 78 -11.799 -4.884 5.142 422 HG22 VAL 78 1HG2 VAL 78 -13.445 -5.424 5.508 423 HG23 VAL 78 2HG2 VAL 78 -12.932 -5.246 3.819 424 H GLN 79 H GLN 79 -13.908 -1.955 2.046 425 HA GLN 79 HA GLN 79 -12.749 -3.908 0.227 426 HB2 GLN 79 2HB GLN 79 -14.734 -1.672 -0.370 427 HB3 GLN 79 3HB GLN 79 -14.210 -2.949 -1.472 428 HG2 GLN 79 2HG GLN 79 -15.023 -4.403 0.685 429 HG3 GLN 79 3HG GLN 79 -16.209 -3.106 0.665 430 HE21 GLN 79 2HE2 GLN 79 -17.711 -4.268 -2.411 431 HE22 GLN 79 1HE2 GLN 79 -17.536 -2.869 -1.399 432 H GLN 80 H GLN 80 -12.112 -0.473 0.802 433 HA GLN 80 HA GLN 80 -10.324 -0.170 -1.482 434 HB2 GLN 80 2HB GLN 80 -10.499 1.350 1.157 435 HB3 GLN 80 3HB GLN 80 -9.453 1.786 -0.191 436 HG2 GLN 80 2HG GLN 80 -11.451 2.102 -1.639 437 HG3 GLN 80 3HG GLN 80 -12.498 1.682 -0.299 438 HE21 GLN 80 2HE2 GLN 80 -12.505 5.338 -0.221 439 HE22 GLN 80 1HE2 GLN 80 -13.172 4.069 -1.238 440 H HIS 81 H HIS 81 -9.748 -0.828 2.056 441 HA HIS 81 HA HIS 81 -6.964 -1.127 1.921 442 HB2 HIS 81 2HB HIS 81 -8.966 -2.577 3.691 443 HB3 HIS 81 3HB HIS 81 -7.223 -2.625 3.922 444 HD1 HIS 81 1HD HIS 81 -9.442 -1.308 5.965 445 HD2 HIS 81 2HD HIS 81 -6.609 0.553 3.469 446 HE1 HIS 81 1HE HIS 81 -8.994 0.987 6.968 447 H GLN 82 H GLN 82 -9.336 -3.840 1.512 448 HA GLN 82 HA GLN 82 -7.622 -5.940 1.064 449 HB2 GLN 82 2HB GLN 82 -9.912 -6.366 1.213 450 HB3 GLN 82 3HB GLN 82 -10.318 -5.235 -0.075 451 HG2 GLN 82 2HG GLN 82 -10.616 -7.584 -0.726 452 HG3 GLN 82 3HG GLN 82 -9.533 -6.709 -1.788 453 HE21 GLN 82 2HE2 GLN 82 -7.628 -9.714 -1.610 454 HE22 GLN 82 1HE2 GLN 82 -8.810 -8.819 -2.550 455 H MET 83 H MET 83 -8.551 -3.522 -1.474 456 HA MET 83 HA MET 83 -7.254 -4.806 -3.654 457 HB2 MET 83 2HB MET 83 -7.672 -1.836 -3.103 458 HB3 MET 83 3HB MET 83 -7.321 -2.532 -4.685 459 HG2 MET 83 2HG MET 83 -9.360 -3.785 -4.637 460 HG3 MET 83 3HG MET 83 -9.745 -3.280 -3.022 461 HE1 MET 83 3HE MET 83 -9.640 -2.154 -6.809 462 HE2 MET 83 1HE MET 83 -10.137 -0.457 -6.688 463 HE3 MET 83 2HE MET 83 -8.548 -0.957 -6.080 464 H VAL 84 H VAL 84 -6.076 -2.435 -1.374 465 HA VAL 84 HA VAL 84 -3.391 -2.173 -2.466 466 HB VAL 84 HB VAL 84 -4.187 -1.481 0.365 467 HG11 VAL 84 1HG1 VAL 84 -1.894 -1.012 0.040 468 HG12 VAL 84 2HG1 VAL 84 -2.166 -0.405 -1.599 469 HG13 VAL 84 3HG1 VAL 84 -2.677 0.582 -0.218 470 HG21 VAL 84 3HG2 VAL 84 -4.784 0.177 -2.088 471 HG22 VAL 84 1HG2 VAL 84 -5.955 -0.516 -0.932 472 HG23 VAL 84 2HG2 VAL 84 -4.875 0.744 -0.397 473 H ASN 85 H ASN 85 -4.855 -4.241 -0.048 474 HA ASN 85 HA ASN 85 -2.461 -5.372 1.146 475 HB2 ASN 85 2HB ASN 85 -5.427 -5.933 1.097 476 HB3 ASN 85 3HB ASN 85 -4.344 -7.218 1.648 477 HD21 ASN 85 2HD2 ASN 85 -4.913 -3.920 3.979 478 HD22 ASN 85 1HD2 ASN 85 -5.164 -3.823 2.244 479 H GLN 86 H GLN 86 -4.764 -6.587 -1.473 480 HA GLN 86 HA GLN 86 -3.380 -8.948 -1.950 481 HB2 GLN 86 2HB GLN 86 -5.771 -7.933 -2.375 482 HB3 GLN 86 3HB GLN 86 -5.092 -7.289 -3.855 483 HG2 GLN 86 2HG GLN 86 -6.273 -9.320 -4.194 484 HG3 GLN 86 3HG GLN 86 -4.549 -9.537 -4.576 485 HE21 GLN 86 2HE2 GLN 86 -4.354 -12.355 -2.398 486 HE22 GLN 86 1HE2 GLN 86 -3.697 -11.483 -3.777 487 H ALA 87 H ALA 87 -2.719 -5.739 -2.997 488 HA ALA 87 HA ALA 87 -1.477 -6.113 -5.520 489 HB1 ALA 87 1HB ALA 87 -2.213 -3.918 -4.547 490 HB2 ALA 87 2HB ALA 87 -0.900 -4.019 -3.356 491 HB3 ALA 87 3HB ALA 87 -0.517 -3.878 -5.078 492 H LEU 88 H LEU 88 -0.100 -6.105 -2.227 493 HA LEU 88 HA LEU 88 2.509 -7.111 -3.375 494 HB2 LEU 88 2HB LEU 88 3.718 -5.894 -1.927 495 HB3 LEU 88 3HB LEU 88 2.480 -4.791 -2.465 496 HG LEU 88 HG LEU 88 2.845 -4.323 -0.206 497 HD11 LEU 88 1HD1 LEU 88 0.441 -4.414 -0.784 498 HD12 LEU 88 2HD1 LEU 88 0.776 -4.677 0.937 499 HD13 LEU 88 3HD1 LEU 88 0.371 -6.055 -0.091 500 HD21 LEU 88 3HD2 LEU 88 3.022 -5.802 1.601 501 HD22 LEU 88 1HD2 LEU 88 3.992 -6.499 0.289 502 HD23 LEU 88 2HD2 LEU 88 2.379 -7.170 0.696 503 H LYS 89 H LYS 89 -0.096 -8.200 -1.588 504 HA LYS 89 HA LYS 89 0.917 -10.068 0.214 505 HB2 LYS 89 2HB LYS 89 -1.424 -9.681 -0.162 506 HB3 LYS 89 3HB LYS 89 -1.325 -10.235 -1.834 507 HG2 LYS 89 2HG LYS 89 -1.183 -12.440 -1.301 508 HG3 LYS 89 3HG LYS 89 -0.368 -12.214 0.195 509 HD2 LYS 89 2HD LYS 89 -3.301 -11.529 -0.318 510 HD3 LYS 89 3HD LYS 89 -2.759 -13.050 0.418 511 HE2 LYS 89 2HE LYS 89 -1.985 -11.953 2.393 512 HE3 LYS 89 3HE LYS 89 -2.071 -10.354 1.637 513 HZ1 LYS 89 3HZ LYS 89 -4.420 -12.036 2.312 514 HZ2 LYS 89 1HZ LYS 89 -4.489 -10.576 1.564 515 HZ3 LYS 89 2HZ LYS 89 -3.937 -10.655 3.084 516 H GLU 90 H GLU 90 1.018 -10.239 -3.335 517 HA GLU 90 HA GLU 90 1.903 -12.913 -3.288 518 HB2 GLU 90 2HB GLU 90 1.189 -10.801 -5.252 519 HB3 GLU 90 3HB GLU 90 2.509 -11.793 -5.827 520 HG2 GLU 90 2HG GLU 90 1.194 -13.836 -5.364 521 HG3 GLU 90 3HG GLU 90 -0.139 -12.848 -4.766 522 H GLU 91 H GLU 91 3.607 -10.268 -2.352 523 HA GLU 91 HA GLU 91 6.296 -11.378 -3.027 524 HB2 GLU 91 2HB GLU 91 5.114 -8.590 -2.946 525 HB3 GLU 91 3HB GLU 91 6.689 -8.756 -2.296 526 HG2 GLU 91 2HG GLU 91 5.747 -9.186 -5.119 527 HG3 GLU 91 3HG GLU 91 6.967 -8.059 -4.501 528 H ILE 92 H ILE 92 4.398 -9.564 -0.583 529 HA ILE 92 HA ILE 92 5.708 -11.042 1.637 530 HB ILE 92 HB ILE 92 5.351 -8.022 1.537 531 HG12 ILE 92 2HG1 ILE 92 7.838 -9.776 1.492 532 HG13 ILE 92 3HG1 ILE 92 7.291 -8.664 0.238 533 HG21 ILE 92 1HG2 ILE 92 4.837 -8.962 3.771 534 HG22 ILE 92 2HG2 ILE 92 6.408 -9.809 3.776 535 HG23 ILE 92 3HG2 ILE 92 6.317 -8.036 3.808 536 HD11 ILE 92 3HD1 ILE 92 8.426 -7.928 2.940 537 HD12 ILE 92 1HD1 ILE 92 9.103 -7.609 1.336 538 HD13 ILE 92 2HD1 ILE 92 7.629 -6.759 1.849 539 H LYS 93 H LYS 93 3.983 -12.015 2.692 540 HA LYS 93 HA LYS 93 1.262 -11.068 2.129 541 HB2 LYS 93 2HB LYS 93 2.182 -13.290 3.875 542 HB3 LYS 93 3HB LYS 93 0.544 -13.104 3.283 543 HG2 LYS 93 2HG LYS 93 1.158 -13.753 1.063 544 HG3 LYS 93 3HG LYS 93 2.884 -13.555 1.382 545 HD2 LYS 93 2HD LYS 93 2.486 -15.885 1.369 546 HD3 LYS 93 3HD LYS 93 2.773 -15.418 3.045 547 HE2 LYS 93 2HE LYS 93 0.190 -15.347 3.297 548 HE3 LYS 93 3HE LYS 93 0.131 -16.107 1.698 549 HZ1 LYS 93 3HZ LYS 93 0.139 -17.902 3.196 550 HZ2 LYS 93 1HZ LYS 93 1.256 -17.221 4.197 551 HZ3 LYS 93 2HZ LYS 93 1.722 -17.811 2.757 552 H GLU 94 H GLU 94 3.488 -10.369 4.608 553 HA GLU 94 HA GLU 94 2.056 -10.767 6.899 554 HB2 GLU 94 2HB GLU 94 4.529 -9.158 6.362 555 HB3 GLU 94 3HB GLU 94 4.069 -9.955 7.839 556 HG2 GLU 94 2HG GLU 94 4.966 -11.281 5.287 557 HG3 GLU 94 3HG GLU 94 5.829 -11.214 6.812 558 H MET 95 H MET 95 0.253 -9.119 5.660 559 HA MET 95 HA MET 95 0.508 -6.360 6.350 560 HB2 MET 95 2HB MET 95 -1.655 -8.087 5.249 561 HB3 MET 95 3HB MET 95 -2.151 -6.554 5.963 562 HG2 MET 95 2HG MET 95 -1.750 -6.223 3.601 563 HG3 MET 95 3HG MET 95 -0.618 -5.302 4.562 564 HE1 MET 95 3HE MET 95 0.281 -8.892 1.845 565 HE2 MET 95 1HE MET 95 -0.854 -9.013 3.209 566 HE3 MET 95 2HE MET 95 -1.211 -7.927 1.853 567 H HIS 96 H HIS 96 0.148 -8.783 8.577 568 HA HIS 96 HA HIS 96 -1.210 -7.304 10.623 569 HB2 HIS 96 2HB HIS 96 -0.426 -8.899 12.083 570 HB3 HIS 96 3HB HIS 96 -0.499 -9.789 10.591 571 HD1 HIS 96 1HD HIS 96 1.775 -9.096 13.407 572 HD2 HIS 96 2HD HIS 96 2.163 -9.945 9.305 573 HE1 HIS 96 1HE HIS 96 4.129 -9.990 13.075 574 H GLY 97 H GLY 97 1.908 -6.886 9.209 575 HA2 GLY 97 2HA GLY 97 2.994 -5.002 11.252 576 HA3 GLY 97 3HA GLY 97 3.730 -5.509 9.789 577 H LEU 98 H LEU 98 1.146 -4.829 8.304 578 HA LEU 98 HA LEU 98 2.174 -2.195 7.471 579 HB2 LEU 98 2HB LEU 98 0.362 -4.201 6.215 580 HB3 LEU 98 3HB LEU 98 0.431 -2.530 5.672 581 HG LEU 98 HG LEU 98 3.031 -2.802 5.707 582 HD11 LEU 98 1HD1 LEU 98 3.207 -5.007 6.765 583 HD12 LEU 98 2HD1 LEU 98 3.886 -4.984 5.137 584 HD13 LEU 98 3HD1 LEU 98 2.309 -5.722 5.399 585 HD21 LEU 98 3HD2 LEU 98 2.994 -3.548 3.416 586 HD22 LEU 98 1HD2 LEU 98 1.704 -2.396 3.819 587 HD23 LEU 98 2HD2 LEU 98 1.319 -4.131 3.627 588 H ARG 99 H ARG 99 1.172 -0.350 7.340 589 HA ARG 99 HA ARG 99 -1.515 0.085 8.638 590 HB2 ARG 99 2HB ARG 99 0.465 0.804 10.049 591 HB3 ARG 99 3HB ARG 99 0.762 2.056 8.829 592 HG2 ARG 99 2HG ARG 99 -1.680 2.756 9.126 593 HG3 ARG 99 3HG ARG 99 -1.789 1.590 10.446 594 HD2 ARG 99 2HD ARG 99 0.009 2.807 11.657 595 HD3 ARG 99 3HD ARG 99 0.098 3.933 10.284 596 HE ARG 99 HE ARG 99 -2.599 3.721 11.355 597 HH11 ARG 99 1HH1 ARG 99 0.393 5.573 12.011 598 HH12 ARG 99 2HH1 ARG 99 -0.565 6.652 13.025 599 HH21 ARG 99 2HH2 ARG 99 -2.607 6.561 13.201 600 HH22 ARG 99 1HH2 ARG 99 -3.566 5.293 12.437 601 H ILE 100 H ILE 100 -2.759 0.247 6.883 602 HA ILE 100 HA ILE 100 -1.898 2.021 4.632 603 HB ILE 100 HB ILE 100 -4.170 0.012 4.409 604 HG12 ILE 100 2HG1 ILE 100 -1.228 -0.676 4.248 605 HG13 ILE 100 3HG1 ILE 100 -2.547 -1.380 5.223 606 HG21 ILE 100 1HG2 ILE 100 -3.566 0.044 2.018 607 HG22 ILE 100 2HG2 ILE 100 -3.965 1.628 2.569 608 HG23 ILE 100 3HG2 ILE 100 -2.255 1.193 2.351 609 HD11 ILE 100 3HD1 ILE 100 -2.184 -2.971 3.552 610 HD12 ILE 100 1HD1 ILE 100 -3.645 -2.065 3.071 611 HD13 ILE 100 2HD1 ILE 100 -2.085 -1.750 2.271 612 H PHE 101 H PHE 101 -2.864 3.329 3.662 613 HA PHE 101 HA PHE 101 -5.271 4.707 4.745 614 HB2 PHE 101 2HB PHE 101 -2.494 5.597 3.926 615 HB3 PHE 101 3HB PHE 101 -3.765 6.687 4.259 616 HD1 PHE 101 1HD PHE 101 -4.429 7.177 6.611 617 HD2 PHE 101 2HD PHE 101 -1.310 4.363 5.644 618 HE1 PHE 101 1HE PHE 101 -3.509 7.366 8.904 619 HE2 PHE 101 2HE PHE 101 -0.445 4.501 7.919 620 HZ PHE 101 HZ PHE 101 -1.497 6.084 9.566 621 H THR 102 H THR 102 -6.679 5.223 3.114 622 HA THR 102 HA THR 102 -5.875 5.631 0.235 623 HB THR 102 HB THR 102 -7.956 4.285 -0.328 624 HG1 THR 102 1HG THR 102 -9.135 3.731 1.258 625 HG21 THR 102 1HG2 THR 102 -5.785 3.171 -0.613 626 HG22 THR 102 2HG2 THR 102 -7.022 2.026 -0.086 627 HG23 THR 102 3HG2 THR 102 -5.823 2.625 1.079 628 H SER 103 H SER 103 -7.151 6.910 -0.854 629 HA SER 103 HA SER 103 -9.707 7.791 0.223 630 HB2 SER 103 2HB SER 103 -8.889 10.210 -0.438 631 HB3 SER 103 3HB SER 103 -8.629 9.580 1.177 632 HG SER 103 HG SER 103 -6.855 10.600 -0.411 633 H VAL 104 H VAL 104 -10.808 9.267 -1.388 634 HA VAL 104 HA VAL 104 -9.904 8.811 -4.196 635 HB VAL 104 HB VAL 104 -11.532 7.092 -3.697 636 HG11 VAL 104 1HG1 VAL 104 -13.685 9.162 -3.425 637 HG12 VAL 104 2HG1 VAL 104 -13.742 7.400 -3.166 638 HG13 VAL 104 3HG1 VAL 104 -12.882 8.406 -2.014 639 HG21 VAL 104 3HG2 VAL 104 -11.380 8.139 -5.964 640 HG22 VAL 104 1HG2 VAL 104 -12.890 7.313 -5.646 641 HG23 VAL 104 2HG2 VAL 104 -12.813 9.093 -5.592 642 HA PRO 105 HA PRO 105 -10.886 13.151 -4.162 643 HB2 PRO 105 2HB PRO 105 -10.159 13.807 -6.716 644 HB3 PRO 105 3HB PRO 105 -8.958 13.390 -5.452 645 HG2 PRO 105 2HG PRO 105 -10.085 11.610 -7.622 646 HG3 PRO 105 3HG PRO 105 -8.380 11.742 -7.100 647 HD2 PRO 105 2HD PRO 105 -9.990 9.747 -6.227 648 HD3 PRO 105 3HD PRO 105 -8.658 10.398 -5.317 649 H LYS 106 H LYS 106 -12.845 13.991 -4.305 650 HA LYS 106 HA LYS 106 -14.828 12.835 -6.197 651 HB2 LYS 106 2HB LYS 106 -14.321 12.129 -3.501 652 HB3 LYS 106 3HB LYS 106 -15.740 13.121 -3.395 653 HG2 LYS 106 2HG LYS 106 -15.395 10.695 -5.206 654 HG3 LYS 106 3HG LYS 106 -16.127 10.666 -3.598 655 HD2 LYS 106 2HD LYS 106 -17.934 12.199 -4.381 656 HD3 LYS 106 3HD LYS 106 -17.195 12.223 -5.988 657 HE2 LYS 106 2HE LYS 106 -18.946 10.678 -6.140 658 HE3 LYS 106 3HE LYS 106 -17.469 9.713 -6.086 659 HZ1 LYS 106 3HZ LYS 106 -19.197 10.235 -3.707 660 HZ2 LYS 106 1HZ LYS 106 -17.962 9.160 -3.789 661 HZ3 LYS 106 2HZ LYS 106 -19.342 8.920 -4.662 662 H ARG 107 H ARG 107 -13.683 15.473 -6.151 663 HA ARG 107 HA ARG 107 -16.038 17.285 -5.707 664 HB2 ARG 107 2HB ARG 107 -13.045 17.718 -5.868 665 HB3 ARG 107 3HB ARG 107 -14.131 19.009 -6.372 666 HG2 ARG 107 2HG ARG 107 -15.257 19.008 -4.198 667 HG3 ARG 107 3HG ARG 107 -14.200 17.698 -3.626 668 HD2 ARG 107 2HD ARG 107 -12.245 19.086 -3.773 669 HD3 ARG 107 3HD ARG 107 -13.090 20.332 -4.683 670 HE ARG 107 HE ARG 107 -13.260 19.821 -1.767 671 HH11 ARG 107 1HH1 ARG 107 -14.679 21.655 -4.431 672 HH12 ARG 107 2HH1 ARG 107 -15.323 22.852 -3.342 673 HH21 ARG 107 2HH2 ARG 107 -14.735 22.900 -1.268 674 HH22 ARG 107 1HH2 ARG 107 -13.672 21.685 -0.576 Start of MODEL 15 1 H1 ALA 27 H1 ALA 27 11.752 6.048 11.526 2 H2 ALA 27 H2 ALA 27 11.869 4.407 11.701 3 H3 ALA 27 H3 ALA 27 10.418 5.136 11.880 4 HA ALA 27 HA ALA 27 10.484 4.047 9.790 5 HB1 ALA 27 1HB ALA 27 10.671 7.069 9.431 6 HB2 ALA 27 2HB ALA 27 9.922 5.917 8.314 7 HB3 ALA 27 3HB ALA 27 9.215 6.172 9.920 8 H THR 28 H THR 28 11.411 3.903 7.630 9 HA THR 28 HA THR 28 14.306 4.482 7.343 10 HB THR 28 HB THR 28 14.044 1.662 6.962 11 HG1 THR 28 1HG THR 28 12.585 1.083 8.283 12 HG21 THR 28 1HG2 THR 28 16.051 2.859 7.734 13 HG22 THR 28 2HG2 THR 28 15.632 1.513 8.802 14 HG23 THR 28 3HG2 THR 28 15.260 3.180 9.298 15 H GLN 29 H GLN 29 15.176 3.313 5.324 16 HA GLN 29 HA GLN 29 13.002 2.284 3.555 17 HB2 GLN 29 2HB GLN 29 15.565 3.548 2.765 18 HB3 GLN 29 3HB GLN 29 15.141 2.030 1.970 19 HG2 GLN 29 2HG GLN 29 14.101 3.528 0.614 20 HG3 GLN 29 3HG GLN 29 12.785 2.972 1.583 21 HE21 GLN 29 2HE2 GLN 29 11.968 6.388 2.101 22 HE22 GLN 29 1HE2 GLN 29 11.404 4.761 1.716 23 H THR 30 H THR 30 13.135 0.215 2.888 24 HA THR 30 HA THR 30 15.437 -1.466 3.604 25 HB THR 30 HB THR 30 13.914 -3.443 3.873 26 HG1 THR 30 1HG THR 30 11.872 -2.095 4.893 27 HG21 THR 30 1HG2 THR 30 15.004 -2.389 5.821 28 HG22 THR 30 2HG2 THR 30 13.379 -2.961 6.241 29 HG23 THR 30 3HG2 THR 30 13.674 -1.232 5.949 30 H GLU 31 H GLU 31 15.301 -3.571 2.090 31 HA GLU 31 HA GLU 31 14.994 -2.556 -0.634 32 HB2 GLU 31 2HB GLU 31 15.821 -5.191 0.610 33 HB3 GLU 31 3HB GLU 31 15.500 -5.052 -1.116 34 HG2 GLU 31 2HG GLU 31 17.862 -4.766 -0.764 35 HG3 GLU 31 3HG GLU 31 17.168 -3.258 -1.346 36 H GLY 32 H GLY 32 12.989 -4.445 1.554 37 HA2 GLY 32 2HA GLY 32 10.939 -5.246 -0.247 38 HA3 GLY 32 3HA GLY 32 10.787 -5.010 1.493 39 H GLU 33 H GLU 33 11.419 -2.172 1.598 40 HA GLU 33 HA GLU 33 9.046 -0.821 1.163 41 HB2 GLU 33 2HB GLU 33 11.417 -0.304 2.278 42 HB3 GLU 33 3HB GLU 33 11.706 0.576 0.801 43 HG2 GLU 33 2HG GLU 33 9.278 0.985 2.519 44 HG3 GLU 33 3HG GLU 33 10.805 1.734 2.905 45 H LEU 34 H LEU 34 11.855 -0.902 -1.040 46 HA LEU 34 HA LEU 34 10.684 0.574 -3.181 47 HB2 LEU 34 2HB LEU 34 12.821 -1.518 -3.556 48 HB3 LEU 34 3HB LEU 34 12.628 0.026 -4.377 49 HG LEU 34 HG LEU 34 13.628 -0.474 -1.561 50 HD11 LEU 34 1HD1 LEU 34 15.743 0.457 -2.458 51 HD12 LEU 34 2HD1 LEU 34 14.994 0.628 -4.057 52 HD13 LEU 34 3HD1 LEU 34 15.238 -0.988 -3.351 53 HD21 LEU 34 3HD2 LEU 34 12.359 1.652 -1.595 54 HD22 LEU 34 1HD2 LEU 34 13.265 2.174 -3.030 55 HD23 LEU 34 2HD2 LEU 34 14.096 1.969 -1.468 56 H ARG 35 H ARG 35 11.144 -2.912 -2.669 57 HA ARG 35 HA ARG 35 10.109 -3.967 -5.112 58 HB2 ARG 35 2HB ARG 35 11.313 -5.315 -3.567 59 HB3 ARG 35 3HB ARG 35 10.151 -5.037 -2.275 60 HG2 ARG 35 2HG ARG 35 8.744 -6.636 -2.957 61 HG3 ARG 35 3HG ARG 35 8.781 -6.145 -4.625 62 HD2 ARG 35 2HD ARG 35 9.839 -8.139 -4.903 63 HD3 ARG 35 3HD ARG 35 11.288 -7.258 -4.476 64 HE ARG 35 HE ARG 35 9.857 -9.249 -2.874 65 HH11 ARG 35 1HH1 ARG 35 12.527 -6.945 -2.731 66 HH12 ARG 35 2HH1 ARG 35 12.778 -7.254 -1.034 67 HH21 ARG 35 2HH2 ARG 35 11.564 -8.646 0.073 68 HH22 ARG 35 1HH2 ARG 35 10.351 -9.613 -0.753 69 H VAL 36 H VAL 36 8.431 -3.162 -2.094 70 HA VAL 36 HA VAL 36 5.841 -4.051 -3.031 71 HB VAL 36 HB VAL 36 6.731 -2.327 -0.679 72 HG11 VAL 36 1HG1 VAL 36 3.893 -3.068 -1.486 73 HG12 VAL 36 2HG1 VAL 36 4.361 -2.582 0.165 74 HG13 VAL 36 3HG1 VAL 36 4.542 -1.449 -1.173 75 HG21 VAL 36 3HG2 VAL 36 7.172 -4.779 -0.586 76 HG22 VAL 36 1HG2 VAL 36 5.968 -4.292 0.611 77 HG23 VAL 36 2HG2 VAL 36 5.457 -5.096 -0.893 78 H THR 37 H THR 37 7.454 -0.822 -2.707 79 HA THR 37 HA THR 37 5.443 0.797 -3.799 80 HB THR 37 HB THR 37 8.434 1.012 -4.091 81 HG1 THR 37 1HG THR 37 8.052 1.208 -2.006 82 HG21 THR 37 1HG2 THR 37 7.474 2.493 -5.728 83 HG22 THR 37 2HG2 THR 37 8.067 3.445 -4.373 84 HG23 THR 37 3HG2 THR 37 6.318 3.133 -4.523 85 H GLN 38 H GLN 38 7.933 -1.030 -5.518 86 HA GLN 38 HA GLN 38 7.325 -0.094 -8.134 87 HB2 GLN 38 2HB GLN 38 8.893 -2.361 -6.997 88 HB3 GLN 38 3HB GLN 38 8.338 -2.570 -8.644 89 HG2 GLN 38 2HG GLN 38 10.455 -1.725 -8.799 90 HG3 GLN 38 3HG GLN 38 9.384 -0.367 -9.088 91 HE21 GLN 38 2HE2 GLN 38 10.533 1.457 -6.172 92 HE22 GLN 38 1HE2 GLN 38 9.263 1.365 -7.387 93 H ILE 39 H ILE 39 5.775 -2.743 -6.342 94 HA ILE 39 HA ILE 39 4.075 -3.423 -8.679 95 HB ILE 39 HB ILE 39 3.705 -4.373 -5.811 96 HG12 ILE 39 2HG1 ILE 39 5.271 -5.697 -8.072 97 HG13 ILE 39 3HG1 ILE 39 5.946 -4.991 -6.602 98 HG21 ILE 39 1HG2 ILE 39 2.661 -5.244 -8.545 99 HG22 ILE 39 2HG2 ILE 39 2.494 -6.247 -7.103 100 HG23 ILE 39 3HG2 ILE 39 1.717 -4.682 -7.148 101 HD11 ILE 39 3HD1 ILE 39 4.264 -7.495 -6.767 102 HD12 ILE 39 1HD1 ILE 39 5.946 -7.321 -6.270 103 HD13 ILE 39 2HD1 ILE 39 4.656 -6.657 -5.242 104 H LEU 40 H LEU 40 3.732 -1.525 -5.644 105 HA LEU 40 HA LEU 40 0.973 -0.953 -5.871 106 HB2 LEU 40 2HB LEU 40 3.318 0.738 -4.888 107 HB3 LEU 40 3HB LEU 40 1.661 1.326 -4.866 108 HG LEU 40 HG LEU 40 2.779 -1.074 -3.382 109 HD11 LEU 40 1HD1 LEU 40 2.299 0.257 -1.409 110 HD12 LEU 40 2HD1 LEU 40 1.514 1.516 -2.395 111 HD13 LEU 40 3HD1 LEU 40 3.257 1.231 -2.538 112 HD21 LEU 40 3HD2 LEU 40 0.517 -1.161 -2.241 113 HD22 LEU 40 1HD2 LEU 40 0.526 -1.736 -3.904 114 HD23 LEU 40 2HD2 LEU 40 -0.104 -0.113 -3.539 115 H LYS 41 H LYS 41 3.592 0.666 -7.655 116 HA LYS 41 HA LYS 41 1.802 2.553 -8.914 117 HB2 LYS 41 2HB LYS 41 4.556 1.809 -9.894 118 HB3 LYS 41 3HB LYS 41 3.631 3.301 -10.221 119 HG2 LYS 41 2HG LYS 41 3.523 3.322 -7.550 120 HG3 LYS 41 3HG LYS 41 4.990 2.392 -7.735 121 HD2 LYS 41 2HD LYS 41 5.981 4.212 -9.141 122 HD3 LYS 41 3HD LYS 41 4.575 5.226 -8.747 123 HE2 LYS 41 2HE LYS 41 5.065 5.039 -6.344 124 HE3 LYS 41 3HE LYS 41 6.315 3.833 -6.680 125 HZ1 LYS 41 3HZ LYS 41 7.335 5.920 -6.252 126 HZ2 LYS 41 1HZ LYS 41 6.457 6.694 -7.412 127 HZ3 LYS 41 2HZ LYS 41 7.586 5.554 -7.830 128 H GLU 42 H GLU 42 2.314 -0.759 -9.710 129 HA GLU 42 HA GLU 42 1.206 -0.549 -12.352 130 HB2 GLU 42 2HB GLU 42 2.304 -2.474 -10.493 131 HB3 GLU 42 3HB GLU 42 1.164 -3.118 -11.482 132 HG2 GLU 42 2HG GLU 42 2.622 -1.916 -13.279 133 HG3 GLU 42 3HG GLU 42 3.863 -1.921 -12.076 134 H LYS 43 H LYS 43 0.224 -1.635 -9.045 135 HA LYS 43 HA LYS 43 -2.325 -2.300 -10.119 136 HB2 LYS 43 2HB LYS 43 -1.777 -1.900 -7.155 137 HB3 LYS 43 3HB LYS 43 -3.093 -2.766 -7.968 138 HG2 LYS 43 2HG LYS 43 -0.258 -3.681 -7.781 139 HG3 LYS 43 3HG LYS 43 -1.683 -4.355 -7.025 140 HD2 LYS 43 2HD LYS 43 -2.644 -5.120 -9.026 141 HD3 LYS 43 3HD LYS 43 -1.515 -4.203 -10.015 142 HE2 LYS 43 2HE LYS 43 0.374 -5.611 -9.082 143 HE3 LYS 43 3HE LYS 43 -0.842 -6.590 -8.248 144 HZ1 LYS 43 3HZ LYS 43 -0.272 -7.609 -10.298 145 HZ2 LYS 43 1HZ LYS 43 -0.545 -6.260 -11.189 146 HZ3 LYS 43 2HZ LYS 43 -1.801 -7.075 -10.466 147 H PHE 44 H PHE 44 -0.996 0.591 -8.688 148 HA PHE 44 HA PHE 44 -3.446 1.993 -9.445 149 HB2 PHE 44 2HB PHE 44 -1.834 2.624 -6.922 150 HB3 PHE 44 3HB PHE 44 -3.395 3.299 -7.361 151 HD1 PHE 44 1HD PHE 44 -5.455 1.936 -7.211 152 HD2 PHE 44 2HD PHE 44 -1.663 0.478 -5.779 153 HE1 PHE 44 1HE PHE 44 -6.622 0.186 -5.891 154 HE2 PHE 44 2HE PHE 44 -2.821 -1.291 -4.482 155 HZ PHE 44 HZ PHE 44 -5.305 -1.433 -4.541 156 HA PRO 45 HA PRO 45 0.173 4.337 -11.270 157 HB2 PRO 45 2HB PRO 45 -0.780 4.210 -13.905 158 HB3 PRO 45 3HB PRO 45 0.445 3.125 -13.200 159 HG2 PRO 45 2HG PRO 45 -2.536 2.689 -13.489 160 HG3 PRO 45 3HG PRO 45 -1.213 1.528 -13.816 161 HD2 PRO 45 2HD PRO 45 -2.537 1.305 -11.549 162 HD3 PRO 45 3HD PRO 45 -0.820 1.226 -11.452 163 H ARG 46 H ARG 46 -3.356 4.527 -11.539 164 HA ARG 46 HA ARG 46 -3.203 7.303 -12.499 165 HB2 ARG 46 2HB ARG 46 -5.607 5.542 -11.929 166 HB3 ARG 46 3HB ARG 46 -5.608 7.077 -12.781 167 HG2 ARG 46 2HG ARG 46 -4.348 4.479 -13.752 168 HG3 ARG 46 3HG ARG 46 -5.808 5.260 -14.350 169 HD2 ARG 46 2HD ARG 46 -4.378 7.267 -14.937 170 HD3 ARG 46 3HD ARG 46 -2.950 6.283 -14.591 171 HE ARG 46 HE ARG 46 -3.934 4.651 -16.335 172 HH11 ARG 46 1HH1 ARG 46 -4.384 8.145 -16.646 173 HH12 ARG 46 2HH1 ARG 46 -4.885 7.976 -18.315 174 HH21 ARG 46 2HH2 ARG 46 -4.446 6.172 -19.390 175 HH22 ARG 46 1HH2 ARG 46 -4.261 4.633 -18.573 176 H ALA 47 H ALA 47 -3.117 5.931 -9.475 177 HA ALA 47 HA ALA 47 -4.698 7.496 -7.799 178 HB1 ALA 47 1HB ALA 47 -3.414 5.525 -7.163 179 HB2 ALA 47 2HB ALA 47 -1.890 6.402 -7.434 180 HB3 ALA 47 3HB ALA 47 -2.980 6.885 -6.122 181 H THR 48 H THR 48 -4.377 9.306 -6.497 182 HA THR 48 HA THR 48 -2.629 11.456 -7.616 183 HB THR 48 HB THR 48 -4.099 13.009 -6.489 184 HG1 THR 48 1HG THR 48 -5.709 12.382 -5.333 185 HG21 THR 48 1HG2 THR 48 -4.574 12.420 -8.845 186 HG22 THR 48 2HG2 THR 48 -6.050 12.792 -7.933 187 HG23 THR 48 3HG2 THR 48 -5.642 11.106 -8.295 188 H ALA 49 H ALA 49 -3.009 9.387 -4.821 189 HA ALA 49 HA ALA 49 -0.302 10.439 -4.208 190 HB1 ALA 49 1HB ALA 49 -1.772 11.272 -2.391 191 HB2 ALA 49 2HB ALA 49 -2.336 9.617 -2.084 192 HB3 ALA 49 3HB ALA 49 -0.638 10.042 -1.793 193 H ILE 50 H ILE 50 1.226 8.805 -4.056 194 HA ILE 50 HA ILE 50 0.509 6.077 -3.232 195 HB ILE 50 HB ILE 50 2.091 5.328 -5.298 196 HG12 ILE 50 2HG1 ILE 50 0.397 7.500 -6.602 197 HG13 ILE 50 3HG1 ILE 50 2.139 7.604 -6.317 198 HG21 ILE 50 1HG2 ILE 50 -0.027 4.312 -4.583 199 HG22 ILE 50 2HG2 ILE 50 -0.904 5.524 -5.537 200 HG23 ILE 50 3HG2 ILE 50 0.154 4.355 -6.339 201 HD11 ILE 50 3HD1 ILE 50 2.440 5.558 -7.749 202 HD12 ILE 50 1HD1 ILE 50 0.710 5.643 -8.153 203 HD13 ILE 50 2HD1 ILE 50 1.788 6.969 -8.605 204 H LYS 51 H LYS 51 1.824 5.972 -1.550 205 HA LYS 51 HA LYS 51 4.724 5.828 -2.041 206 HB2 LYS 51 2HB LYS 51 5.259 7.352 -0.202 207 HB3 LYS 51 3HB LYS 51 4.536 8.124 -1.594 208 HG2 LYS 51 2HG LYS 51 2.282 7.698 -0.043 209 HG3 LYS 51 3HG LYS 51 3.524 7.836 1.202 210 HD2 LYS 51 2HD LYS 51 2.643 10.012 0.833 211 HD3 LYS 51 3HD LYS 51 4.250 9.992 0.064 212 HE2 LYS 51 2HE LYS 51 3.261 9.749 -2.148 213 HE3 LYS 51 3HE LYS 51 1.658 9.466 -1.453 214 HZ1 LYS 51 3HZ LYS 51 1.616 11.728 -0.666 215 HZ2 LYS 51 1HZ LYS 51 1.929 11.758 -2.266 216 HZ3 LYS 51 2HZ LYS 51 3.135 12.040 -1.204 217 H VAL 52 H VAL 52 5.911 4.868 -0.408 218 HA VAL 52 HA VAL 52 4.474 3.241 1.650 219 HB VAL 52 HB VAL 52 6.979 2.455 0.102 220 HG11 VAL 52 1HG1 VAL 52 6.530 0.172 0.984 221 HG12 VAL 52 2HG1 VAL 52 6.885 1.321 2.263 222 HG13 VAL 52 3HG1 VAL 52 5.203 0.827 1.968 223 HG21 VAL 52 3HG2 VAL 52 5.104 2.399 -1.465 224 HG22 VAL 52 1HG2 VAL 52 5.593 0.768 -1.057 225 HG23 VAL 52 2HG2 VAL 52 4.132 1.465 -0.300 226 H THR 53 H THR 53 5.522 3.022 3.696 227 HA THR 53 HA THR 53 8.286 4.173 3.919 228 HB THR 53 HB THR 53 5.990 4.697 5.858 229 HG1 THR 53 1HG THR 53 7.147 6.212 3.829 230 HG21 THR 53 1HG2 THR 53 8.837 5.667 5.889 231 HG22 THR 53 2HG2 THR 53 8.024 4.606 7.069 232 HG23 THR 53 3HG2 THR 53 7.521 6.294 6.919 233 H ASP 54 H ASP 54 9.574 2.601 4.556 234 HA ASP 54 HA ASP 54 8.591 0.290 6.118 235 HB2 ASP 54 2HB ASP 54 10.628 0.124 4.621 236 HB3 ASP 54 3HB ASP 54 11.387 1.367 5.527 237 H ILE 55 H ILE 55 8.422 0.113 8.156 238 HA ILE 55 HA ILE 55 9.516 2.189 9.988 239 HB ILE 55 HB ILE 55 7.415 2.141 11.287 240 HG12 ILE 55 2HG1 ILE 55 6.410 0.390 9.009 241 HG13 ILE 55 3HG1 ILE 55 6.330 0.143 10.700 242 HG21 ILE 55 1HG2 ILE 55 6.328 3.792 9.942 243 HG22 ILE 55 2HG2 ILE 55 8.043 3.898 9.563 244 HG23 ILE 55 3HG2 ILE 55 6.932 3.084 8.436 245 HD11 ILE 55 3HD1 ILE 55 4.655 2.025 10.876 246 HD12 ILE 55 1HD1 ILE 55 4.747 2.218 9.110 247 HD13 ILE 55 2HD1 ILE 55 4.120 0.716 9.794 248 H SER 56 H SER 56 10.661 -0.234 9.180 249 HA SER 56 HA SER 56 10.859 -1.791 11.681 250 HB2 SER 56 2HB SER 56 8.978 -2.675 10.397 251 HB3 SER 56 3HB SER 56 10.052 -3.008 9.051 252 HG SER 56 HG SER 56 10.316 -4.001 11.738 253 H GLY 57 H GLY 57 12.810 -0.053 10.808 254 HA2 GLY 57 2HA GLY 57 14.822 -0.935 9.177 255 HA3 GLY 57 3HA GLY 57 15.078 -0.090 10.710 256 H GLY 58 H GLY 58 14.210 -2.278 12.455 257 HA2 GLY 58 2HA GLY 58 16.635 -3.856 12.579 258 HA3 GLY 58 3HA GLY 58 15.228 -3.965 13.631 259 H CYS 59 H CYS 59 13.712 -4.475 10.806 260 HA CYS 59 HA CYS 59 14.398 -7.370 10.524 261 HB2 CYS 59 2HB CYS 59 12.681 -6.816 12.469 262 HB3 CYS 59 3HB CYS 59 11.546 -6.515 11.172 263 HG CYS 59 HG CYS 59 13.394 -9.254 11.646 264 H GLY 60 H GLY 60 12.302 -4.709 9.520 265 HA2 GLY 60 2HA GLY 60 11.261 -4.087 7.723 266 HA3 GLY 60 3HA GLY 60 12.105 -5.304 6.706 267 H ALA 61 H ALA 61 9.936 -5.521 9.535 268 HA ALA 61 HA ALA 61 8.092 -7.383 8.134 269 HB1 ALA 61 1HB ALA 61 9.006 -8.057 10.300 270 HB2 ALA 61 2HB ALA 61 8.372 -6.577 11.058 271 HB3 ALA 61 3HB ALA 61 7.256 -7.804 10.424 272 H MET 62 H MET 62 8.074 -4.079 9.456 273 HA MET 62 HA MET 62 5.192 -3.800 8.793 274 HB2 MET 62 2HB MET 62 6.962 -2.082 10.585 275 HB3 MET 62 3HB MET 62 5.261 -1.822 10.229 276 HG2 MET 62 2HG MET 62 5.115 -2.762 12.217 277 HG3 MET 62 3HG MET 62 4.901 -4.193 11.211 278 HE1 MET 62 3HE MET 62 7.578 -3.682 14.642 279 HE2 MET 62 1HE MET 62 6.913 -2.295 13.740 280 HE3 MET 62 2HE MET 62 5.820 -3.556 14.357 281 H TYR 63 H TYR 63 4.413 -2.243 7.576 282 HA TYR 63 HA TYR 63 6.133 -0.067 6.631 283 HB2 TYR 63 2HB TYR 63 4.545 -1.777 4.701 284 HB3 TYR 63 3HB TYR 63 5.308 -0.335 4.316 285 HD1 TYR 63 HD1 TYR 63 5.833 -3.869 5.257 286 HD2 TYR 63 HD2 TYR 63 7.798 -0.271 3.896 287 HE1 TYR 63 HE1 TYR 63 7.926 -5.161 4.861 288 HE2 TYR 63 HE2 TYR 63 9.879 -1.537 3.598 289 HH TYR 63 HH TYR 63 10.932 -3.499 3.911 290 H GLU 64 H GLU 64 5.129 1.732 6.216 291 HA GLU 64 HA GLU 64 2.221 2.076 6.572 292 HB2 GLU 64 2HB GLU 64 4.380 3.628 7.341 293 HB3 GLU 64 3HB GLU 64 3.959 4.382 5.805 294 HG2 GLU 64 2HG GLU 64 1.718 4.825 6.562 295 HG3 GLU 64 3HG GLU 64 1.955 3.751 7.938 296 H ILE 65 H ILE 65 0.856 2.503 4.781 297 HA ILE 65 HA ILE 65 2.135 3.104 2.148 298 HB ILE 65 HB ILE 65 -0.022 1.006 2.576 299 HG12 ILE 65 2HG1 ILE 65 2.787 0.756 1.408 300 HG13 ILE 65 3HG1 ILE 65 2.308 0.231 3.015 301 HG21 ILE 65 1HG2 ILE 65 0.047 0.771 0.067 302 HG22 ILE 65 2HG2 ILE 65 -0.540 2.333 0.577 303 HG23 ILE 65 3HG2 ILE 65 1.133 2.177 -0.001 304 HD11 ILE 65 3HD1 ILE 65 0.700 -1.384 2.015 305 HD12 ILE 65 1HD1 ILE 65 1.321 -0.967 0.400 306 HD13 ILE 65 2HD1 ILE 65 2.398 -1.693 1.588 307 H LYS 66 H LYS 66 1.191 4.777 1.133 308 HA LYS 66 HA LYS 66 -1.505 5.737 2.053 309 HB2 LYS 66 2HB LYS 66 1.098 7.258 1.833 310 HB3 LYS 66 3HB LYS 66 -0.454 8.089 1.706 311 HG2 LYS 66 2HG LYS 66 -1.060 7.611 3.926 312 HG3 LYS 66 3HG LYS 66 0.108 6.293 4.088 313 HD2 LYS 66 2HD LYS 66 1.969 7.952 3.989 314 HD3 LYS 66 3HD LYS 66 0.770 9.261 3.887 315 HE2 LYS 66 2HE LYS 66 -0.162 8.591 6.080 316 HE3 LYS 66 3HE LYS 66 0.995 7.252 6.183 317 HZ1 LYS 66 3HZ LYS 66 1.759 10.113 6.029 318 HZ2 LYS 66 1HZ LYS 66 2.792 8.846 6.246 319 HZ3 LYS 66 2HZ LYS 66 1.709 9.249 7.419 320 H ILE 67 H ILE 67 -2.870 5.570 0.474 321 HA ILE 67 HA ILE 67 -2.020 6.179 -2.254 322 HB ILE 67 HB ILE 67 -4.088 4.099 -1.639 323 HG12 ILE 67 2HG1 ILE 67 -1.088 3.855 -1.616 324 HG13 ILE 67 3HG1 ILE 67 -2.314 3.079 -0.698 325 HG21 ILE 67 1HG2 ILE 67 -2.454 4.766 -4.111 326 HG22 ILE 67 2HG2 ILE 67 -3.649 3.452 -3.994 327 HG23 ILE 67 3HG2 ILE 67 -4.171 5.112 -3.896 328 HD11 ILE 67 3HD1 ILE 67 -1.110 1.526 -2.156 329 HD12 ILE 67 1HD1 ILE 67 -2.808 1.624 -2.705 330 HD13 ILE 67 2HD1 ILE 67 -1.510 2.469 -3.585 331 H GLU 68 H GLU 68 -3.760 7.162 -3.562 332 HA GLU 68 HA GLU 68 -6.470 7.584 -2.484 333 HB2 GLU 68 2HB GLU 68 -5.086 9.460 -1.559 334 HB3 GLU 68 3HB GLU 68 -4.574 9.825 -3.102 335 HG2 GLU 68 2HG GLU 68 -6.771 10.662 -3.773 336 HG3 GLU 68 3HG GLU 68 -7.540 9.887 -2.411 337 H SER 69 H SER 69 -7.861 7.358 -4.286 338 HA SER 69 HA SER 69 -6.888 7.984 -7.006 339 HB2 SER 69 2HB SER 69 -5.853 5.715 -6.425 340 HB3 SER 69 3HB SER 69 -7.483 5.091 -6.267 341 HG SER 69 HG SER 69 -6.922 4.693 -8.352 342 H GLU 70 H GLU 70 -8.409 8.002 -8.544 343 HA GLU 70 HA GLU 70 -11.027 8.654 -7.860 344 HB2 GLU 70 2HB GLU 70 -9.328 8.880 -10.006 345 HB3 GLU 70 3HB GLU 70 -10.459 7.710 -10.657 346 HG2 GLU 70 2HG GLU 70 -11.333 10.308 -9.336 347 HG3 GLU 70 3HG GLU 70 -10.769 10.225 -11.002 348 H GLU 71 H GLU 71 -9.728 5.558 -8.455 349 HA GLU 71 HA GLU 71 -12.181 4.108 -9.065 350 HB2 GLU 71 2HB GLU 71 -10.875 2.163 -9.047 351 HB3 GLU 71 3HB GLU 71 -9.866 3.434 -9.725 352 HG2 GLU 71 2HG GLU 71 -9.117 3.680 -7.133 353 HG3 GLU 71 3HG GLU 71 -9.666 2.014 -7.068 354 H PHE 72 H PHE 72 -10.842 5.224 -6.026 355 HA PHE 72 HA PHE 72 -11.786 2.923 -4.538 356 HB2 PHE 72 2HB PHE 72 -10.362 5.489 -3.926 357 HB3 PHE 72 3HB PHE 72 -11.051 4.632 -2.612 358 HD1 PHE 72 1HD PHE 72 -8.069 5.265 -3.796 359 HD2 PHE 72 2HD PHE 72 -10.507 1.768 -3.182 360 HE1 PHE 72 1HE PHE 72 -6.030 3.877 -3.567 361 HE2 PHE 72 2HE PHE 72 -8.464 0.392 -2.946 362 HZ PHE 72 HZ PHE 72 -6.225 1.436 -3.192 363 H LYS 73 H LYS 73 -13.756 5.067 -5.817 364 HA LYS 73 HA LYS 73 -15.200 6.068 -3.540 365 HB2 LYS 73 2HB LYS 73 -16.880 6.835 -5.276 366 HB3 LYS 73 3HB LYS 73 -15.249 7.456 -5.428 367 HG2 LYS 73 2HG LYS 73 -14.740 5.825 -7.206 368 HG3 LYS 73 3HG LYS 73 -16.365 5.132 -7.052 369 HD2 LYS 73 2HD LYS 73 -17.413 7.072 -7.874 370 HD3 LYS 73 3HD LYS 73 -15.919 8.056 -7.692 371 HE2 LYS 73 2HE LYS 73 -14.884 6.223 -9.291 372 HE3 LYS 73 3HE LYS 73 -16.567 5.902 -9.724 373 HZ1 LYS 73 3HZ LYS 73 -15.613 7.549 -11.191 374 HZ2 LYS 73 1HZ LYS 73 -15.102 8.488 -9.967 375 HZ3 LYS 73 2HZ LYS 73 -16.726 8.326 -10.256 376 H GLU 74 H GLU 74 -16.177 3.472 -5.883 377 HA GLU 74 HA GLU 74 -18.539 2.998 -4.266 378 HB2 GLU 74 2HB GLU 74 -19.331 1.619 -5.884 379 HB3 GLU 74 3HB GLU 74 -18.518 2.928 -6.730 380 HG2 GLU 74 2HG GLU 74 -17.244 0.172 -6.307 381 HG3 GLU 74 3HG GLU 74 -18.325 0.531 -7.638 382 H LYS 75 H LYS 75 -16.078 2.629 -2.874 383 HA LYS 75 HA LYS 75 -16.237 -0.207 -1.937 384 HB2 LYS 75 2HB LYS 75 -13.835 1.680 -1.959 385 HB3 LYS 75 3HB LYS 75 -13.825 0.022 -1.367 386 HG2 LYS 75 2HG LYS 75 -14.280 0.891 -4.246 387 HG3 LYS 75 3HG LYS 75 -12.759 0.324 -3.581 388 HD2 LYS 75 2HD LYS 75 -13.379 -1.871 -3.485 389 HD3 LYS 75 3HD LYS 75 -15.119 -1.536 -3.297 390 HE2 LYS 75 2HE LYS 75 -15.255 -0.651 -5.552 391 HE3 LYS 75 3HE LYS 75 -13.533 -0.975 -5.833 392 HZ1 LYS 75 3HZ LYS 75 -15.641 -3.015 -5.363 393 HZ2 LYS 75 1HZ LYS 75 -14.063 -3.373 -5.584 394 HZ3 LYS 75 2HZ LYS 75 -14.958 -2.672 -6.796 395 H ARG 76 H ARG 76 -16.505 -0.564 0.215 396 HA ARG 76 HA ARG 76 -16.693 1.555 2.126 397 HB2 ARG 76 2HB ARG 76 -15.954 -1.331 2.705 398 HB3 ARG 76 3HB ARG 76 -16.739 -0.155 3.650 399 HG2 ARG 76 2HG ARG 76 -18.728 -0.286 1.942 400 HG3 ARG 76 3HG ARG 76 -17.996 -1.860 1.547 401 HD2 ARG 76 2HD ARG 76 -18.011 -2.406 4.009 402 HD3 ARG 76 3HD ARG 76 -18.834 -0.859 4.293 403 HE ARG 76 HE ARG 76 -20.340 -2.421 2.418 404 HH11 ARG 76 1HH1 ARG 76 -19.644 -2.238 5.894 405 HH12 ARG 76 2HH1 ARG 76 -21.083 -3.206 6.243 406 HH21 ARG 76 2HH2 ARG 76 -22.423 -3.787 4.798 407 HH22 ARG 76 1HH2 ARG 76 -22.153 -3.536 3.064 408 H THR 77 H THR 77 -15.167 1.695 3.972 409 HA THR 77 HA THR 77 -12.467 2.075 3.487 410 HB THR 77 HB THR 77 -13.956 1.131 5.917 411 HG1 THR 77 1HG THR 77 -14.264 3.199 6.285 412 HG21 THR 77 1HG2 THR 77 -11.570 0.784 6.437 413 HG22 THR 77 2HG2 THR 77 -12.125 2.237 7.278 414 HG23 THR 77 3HG2 THR 77 -11.165 2.392 5.789 415 H VAL 78 H VAL 78 -13.766 -0.940 4.897 416 HA VAL 78 HA VAL 78 -11.311 -2.380 4.793 417 HB VAL 78 HB VAL 78 -13.270 -3.015 6.109 418 HG11 VAL 78 1HG1 VAL 78 -15.218 -4.042 5.184 419 HG12 VAL 78 2HG1 VAL 78 -14.972 -2.509 4.327 420 HG13 VAL 78 3HG1 VAL 78 -14.541 -4.048 3.549 421 HG21 VAL 78 3HG2 VAL 78 -12.468 -5.257 4.210 422 HG22 VAL 78 1HG2 VAL 78 -11.524 -4.705 5.610 423 HG23 VAL 78 2HG2 VAL 78 -13.126 -5.419 5.851 424 H GLN 79 H GLN 79 -13.781 -1.963 2.260 425 HA GLN 79 HA GLN 79 -12.500 -3.902 0.495 426 HB2 GLN 79 2HB GLN 79 -14.629 -1.839 -0.196 427 HB3 GLN 79 3HB GLN 79 -14.046 -3.172 -1.205 428 HG2 GLN 79 2HG GLN 79 -14.718 -4.497 1.077 429 HG3 GLN 79 3HG GLN 79 -15.970 -3.257 1.027 430 HE21 GLN 79 2HE2 GLN 79 -17.437 -4.739 -1.959 431 HE22 GLN 79 1HE2 GLN 79 -17.306 -3.197 -1.132 432 H GLN 80 H GLN 80 -12.135 -0.423 0.995 433 HA GLN 80 HA GLN 80 -10.375 0.063 -1.259 434 HB2 GLN 80 2HB GLN 80 -10.567 1.437 1.460 435 HB3 GLN 80 3HB GLN 80 -9.517 1.950 0.154 436 HG2 GLN 80 2HG GLN 80 -11.519 2.369 -1.280 437 HG3 GLN 80 3HG GLN 80 -12.560 1.895 0.039 438 HE21 GLN 80 2HE2 GLN 80 -12.351 5.623 0.145 439 HE22 GLN 80 1HE2 GLN 80 -12.952 4.431 -1.004 440 H HIS 81 H HIS 81 -9.686 -0.649 2.241 441 HA HIS 81 HA HIS 81 -6.899 -0.923 2.034 442 HB2 HIS 81 2HB HIS 81 -8.863 -2.415 3.824 443 HB3 HIS 81 3HB HIS 81 -7.116 -2.458 4.020 444 HD1 HIS 81 1HD HIS 81 -9.367 -1.154 6.091 445 HD2 HIS 81 2HD HIS 81 -6.468 0.685 3.647 446 HE1 HIS 81 1HE HIS 81 -8.920 1.143 7.103 447 H GLN 82 H GLN 82 -9.290 -3.614 1.685 448 HA GLN 82 HA GLN 82 -7.568 -5.673 1.147 449 HB2 GLN 82 2HB GLN 82 -9.836 -6.116 1.490 450 HB3 GLN 82 3HB GLN 82 -10.352 -5.064 0.177 451 HG2 GLN 82 2HG GLN 82 -10.621 -7.464 -0.324 452 HG3 GLN 82 3HG GLN 82 -9.650 -6.603 -1.503 453 HE21 GLN 82 2HE2 GLN 82 -7.785 -9.650 -1.289 454 HE22 GLN 82 1HE2 GLN 82 -9.095 -8.846 -2.129 455 H MET 83 H MET 83 -8.611 -3.217 -1.332 456 HA MET 83 HA MET 83 -7.420 -4.653 -3.526 457 HB2 MET 83 2HB MET 83 -7.583 -1.635 -3.476 458 HB3 MET 83 3HB MET 83 -7.674 -2.736 -4.844 459 HG2 MET 83 2HG MET 83 -9.858 -3.493 -3.313 460 HG3 MET 83 3HG MET 83 -9.778 -1.765 -3.023 461 HE1 MET 83 3HE MET 83 -10.373 -0.321 -6.660 462 HE2 MET 83 1HE MET 83 -10.159 0.090 -4.949 463 HE3 MET 83 2HE MET 83 -8.804 -0.594 -5.881 464 H VAL 84 H VAL 84 -6.108 -2.330 -1.209 465 HA VAL 84 HA VAL 84 -3.484 -2.084 -2.470 466 HB VAL 84 HB VAL 84 -4.167 -1.382 0.389 467 HG11 VAL 84 1HG1 VAL 84 -2.594 0.605 -0.217 468 HG12 VAL 84 2HG1 VAL 84 -1.857 -1.021 -0.042 469 HG13 VAL 84 3HG1 VAL 84 -2.182 -0.362 -1.647 470 HG21 VAL 84 3HG2 VAL 84 -5.934 -0.338 -0.873 471 HG22 VAL 84 1HG2 VAL 84 -4.788 0.879 -0.359 472 HG23 VAL 84 2HG2 VAL 84 -4.752 0.305 -2.048 473 H ASN 85 H ASN 85 -4.918 -4.117 0.012 474 HA ASN 85 HA ASN 85 -2.482 -5.339 1.024 475 HB2 ASN 85 2HB ASN 85 -5.457 -5.834 1.176 476 HB3 ASN 85 3HB ASN 85 -4.355 -7.125 1.674 477 HD21 ASN 85 2HD2 ASN 85 -4.721 -3.778 3.991 478 HD22 ASN 85 1HD2 ASN 85 -5.122 -3.719 2.288 479 H GLN 86 H GLN 86 -4.963 -6.443 -1.414 480 HA GLN 86 HA GLN 86 -3.647 -8.760 -2.202 481 HB2 GLN 86 2HB GLN 86 -5.992 -7.535 -2.758 482 HB3 GLN 86 3HB GLN 86 -5.160 -7.098 -4.237 483 HG2 GLN 86 2HG GLN 86 -5.496 -9.908 -3.113 484 HG3 GLN 86 3HG GLN 86 -6.531 -9.198 -4.348 485 HE21 GLN 86 2HE2 GLN 86 -3.271 -11.114 -5.613 486 HE22 GLN 86 1HE2 GLN 86 -4.230 -11.488 -4.198 487 H ALA 87 H ALA 87 -2.857 -5.456 -3.089 488 HA ALA 87 HA ALA 87 -1.551 -5.834 -5.568 489 HB1 ALA 87 1HB ALA 87 -0.979 -3.792 -3.365 490 HB2 ALA 87 2HB ALA 87 -0.540 -3.641 -5.069 491 HB3 ALA 87 3HB ALA 87 -2.254 -3.642 -4.600 492 H LEU 88 H LEU 88 -0.349 -6.248 -2.253 493 HA LEU 88 HA LEU 88 2.240 -7.271 -3.389 494 HB2 LEU 88 2HB LEU 88 3.510 -6.190 -1.917 495 HB3 LEU 88 3HB LEU 88 2.370 -4.992 -2.466 496 HG LEU 88 HG LEU 88 2.626 -4.468 -0.251 497 HD11 LEU 88 1HD1 LEU 88 0.278 -6.343 0.055 498 HD12 LEU 88 2HD1 LEU 88 0.194 -4.740 -0.725 499 HD13 LEU 88 3HD1 LEU 88 0.636 -4.884 0.983 500 HD21 LEU 88 3HD2 LEU 88 2.388 -7.332 0.669 501 HD22 LEU 88 1HD2 LEU 88 2.897 -5.921 1.595 502 HD23 LEU 88 2HD2 LEU 88 3.935 -6.505 0.275 503 H LYS 89 H LYS 89 -0.490 -8.256 -1.720 504 HA LYS 89 HA LYS 89 0.363 -9.972 0.262 505 HB2 LYS 89 2HB LYS 89 -1.992 -9.707 -0.205 506 HB3 LYS 89 3HB LYS 89 -1.811 -10.261 -1.875 507 HG2 LYS 89 2HG LYS 89 -1.412 -12.515 -1.234 508 HG3 LYS 89 3HG LYS 89 -1.091 -12.100 0.405 509 HD2 LYS 89 2HD LYS 89 -3.185 -13.160 0.438 510 HD3 LYS 89 3HD LYS 89 -3.598 -11.445 0.596 511 HE2 LYS 89 2HE LYS 89 -4.364 -11.305 -1.648 512 HE3 LYS 89 3HE LYS 89 -3.453 -12.753 -2.128 513 HZ1 LYS 89 3HZ LYS 89 -5.738 -13.351 -1.996 514 HZ2 LYS 89 1HZ LYS 89 -5.935 -12.718 -0.513 515 HZ3 LYS 89 2HZ LYS 89 -5.013 -14.061 -0.718 516 H GLU 90 H GLU 90 0.730 -10.489 -3.249 517 HA GLU 90 HA GLU 90 1.241 -13.254 -2.883 518 HB2 GLU 90 2HB GLU 90 1.187 -11.233 -5.117 519 HB3 GLU 90 3HB GLU 90 1.841 -12.814 -5.426 520 HG2 GLU 90 2HG GLU 90 -0.272 -13.884 -4.759 521 HG3 GLU 90 3HG GLU 90 -0.936 -12.322 -4.273 522 H GLU 91 H GLU 91 3.074 -10.498 -2.453 523 HA GLU 91 HA GLU 91 5.748 -11.543 -3.219 524 HB2 GLU 91 2HB GLU 91 4.772 -9.539 -4.346 525 HB3 GLU 91 3HB GLU 91 4.584 -8.752 -2.792 526 HG2 GLU 91 2HG GLU 91 6.365 -7.814 -3.946 527 HG3 GLU 91 3HG GLU 91 6.956 -8.601 -2.483 528 H ILE 92 H ILE 92 4.142 -9.534 -0.674 529 HA ILE 92 HA ILE 92 5.527 -11.057 1.470 530 HB ILE 92 HB ILE 92 4.597 -8.214 1.873 531 HG12 ILE 92 2HG1 ILE 92 6.101 -8.000 -0.104 532 HG13 ILE 92 3HG1 ILE 92 6.484 -7.094 1.303 533 HG21 ILE 92 1HG2 ILE 92 6.741 -9.893 3.197 534 HG22 ILE 92 2HG2 ILE 92 6.291 -8.233 3.652 535 HG23 ILE 92 3HG2 ILE 92 5.117 -9.548 3.817 536 HD11 ILE 92 3HD1 ILE 92 7.858 -9.718 0.628 537 HD12 ILE 92 1HD1 ILE 92 8.460 -8.119 0.142 538 HD13 ILE 92 2HD1 ILE 92 8.351 -8.538 1.863 539 H LYS 93 H LYS 93 3.790 -12.179 2.617 540 HA LYS 93 HA LYS 93 1.084 -11.128 2.127 541 HB2 LYS 93 2HB LYS 93 0.435 -13.261 2.983 542 HB3 LYS 93 3HB LYS 93 1.524 -13.458 1.617 543 HG2 LYS 93 2HG LYS 93 3.335 -14.081 3.123 544 HG3 LYS 93 3HG LYS 93 2.337 -13.714 4.541 545 HD2 LYS 93 2HD LYS 93 1.751 -15.893 2.491 546 HD3 LYS 93 3HD LYS 93 2.566 -16.145 4.046 547 HE2 LYS 93 2HE LYS 93 0.561 -15.283 5.241 548 HE3 LYS 93 3HE LYS 93 -0.243 -15.061 3.682 549 HZ1 LYS 93 3HZ LYS 93 -0.016 -17.469 3.312 550 HZ2 LYS 93 1HZ LYS 93 -0.953 -17.100 4.608 551 HZ3 LYS 93 2HZ LYS 93 0.612 -17.644 4.822 552 H GLU 94 H GLU 94 3.349 -10.837 4.607 553 HA GLU 94 HA GLU 94 1.787 -11.219 6.887 554 HB2 GLU 94 2HB GLU 94 4.507 -10.191 6.174 555 HB3 GLU 94 3HB GLU 94 3.970 -10.365 7.815 556 HG2 GLU 94 2HG GLU 94 3.622 -12.742 7.590 557 HG3 GLU 94 3HG GLU 94 3.986 -12.676 5.866 558 H MET 95 H MET 95 0.222 -9.400 5.630 559 HA MET 95 HA MET 95 0.773 -6.681 6.213 560 HB2 MET 95 2HB MET 95 -1.766 -8.107 5.405 561 HB3 MET 95 3HB MET 95 -1.765 -6.386 5.779 562 HG2 MET 95 2HG MET 95 -1.484 -6.472 3.462 563 HG3 MET 95 3HG MET 95 0.064 -6.013 4.139 564 HE1 MET 95 3HE MET 95 -1.831 -9.448 3.525 565 HE2 MET 95 1HE MET 95 -1.964 -8.528 2.003 566 HE3 MET 95 2HE MET 95 -0.986 -10.010 2.075 567 H HIS 96 H HIS 96 0.131 -8.930 8.582 568 HA HIS 96 HA HIS 96 -1.192 -7.209 10.481 569 HB2 HIS 96 2HB HIS 96 -0.245 -8.772 12.159 570 HB3 HIS 96 3HB HIS 96 -1.137 -9.562 10.868 571 HD1 HIS 96 1HD HIS 96 0.181 -11.297 9.385 572 HD2 HIS 96 2HD HIS 96 2.480 -9.159 12.178 573 HE1 HIS 96 1HE HIS 96 2.433 -12.503 9.539 574 H GLY 97 H GLY 97 1.962 -6.997 9.129 575 HA2 GLY 97 2HA GLY 97 2.915 -5.096 11.243 576 HA3 GLY 97 3HA GLY 97 3.821 -5.634 9.872 577 H LEU 98 H LEU 98 1.088 -4.984 8.305 578 HA LEU 98 HA LEU 98 2.175 -2.370 7.407 579 HB2 LEU 98 2HB LEU 98 0.479 -4.449 6.069 580 HB3 LEU 98 3HB LEU 98 0.557 -2.781 5.511 581 HG LEU 98 HG LEU 98 3.178 -3.074 5.769 582 HD11 LEU 98 1HD1 LEU 98 3.122 -5.363 6.695 583 HD12 LEU 98 2HD1 LEU 98 4.044 -5.203 5.199 584 HD13 LEU 98 3HD1 LEU 98 2.437 -5.929 5.141 585 HD21 LEU 98 3HD2 LEU 98 1.594 -4.226 3.477 586 HD22 LEU 98 1HD2 LEU 98 3.305 -3.711 3.433 587 HD23 LEU 98 2HD2 LEU 98 2.038 -2.518 3.773 588 H ARG 99 H ARG 99 1.143 -0.615 7.123 589 HA ARG 99 HA ARG 99 -1.466 -0.095 8.551 590 HB2 ARG 99 2HB ARG 99 0.681 0.408 9.838 591 HB3 ARG 99 3HB ARG 99 0.955 1.697 8.670 592 HG2 ARG 99 2HG ARG 99 -1.475 2.493 9.293 593 HG3 ARG 99 3HG ARG 99 -1.344 1.355 10.650 594 HD2 ARG 99 2HD ARG 99 0.904 2.496 11.179 595 HD3 ARG 99 3HD ARG 99 0.457 3.686 9.970 596 HE ARG 99 HE ARG 99 -1.255 4.547 11.431 597 HH11 ARG 99 1HH1 ARG 99 0.338 1.809 12.975 598 HH12 ARG 99 2HH1 ARG 99 0.227 2.572 14.541 599 HH21 ARG 99 2HH2 ARG 99 -1.156 4.230 14.834 600 HH22 ARG 99 1HH2 ARG 99 -1.661 5.219 13.448 601 H ILE 100 H ILE 100 -2.724 0.174 6.817 602 HA ILE 100 HA ILE 100 -1.819 2.005 4.624 603 HB ILE 100 HB ILE 100 -4.071 -0.036 4.391 604 HG12 ILE 100 2HG1 ILE 100 -1.099 -0.551 4.128 605 HG13 ILE 100 3HG1 ILE 100 -2.345 -1.361 5.111 606 HG21 ILE 100 1HG2 ILE 100 -2.301 1.313 2.311 607 HG22 ILE 100 2HG2 ILE 100 -3.556 0.102 1.984 608 HG23 ILE 100 3HG2 ILE 100 -4.022 1.644 2.609 609 HD11 ILE 100 3HD1 ILE 100 -1.950 -2.876 3.390 610 HD12 ILE 100 1HD1 ILE 100 -3.456 -2.022 2.950 611 HD13 ILE 100 2HD1 ILE 100 -1.921 -1.609 2.148 612 H PHE 101 H PHE 101 -2.753 3.362 3.647 613 HA PHE 101 HA PHE 101 -5.074 4.799 4.836 614 HB2 PHE 101 2HB PHE 101 -2.287 5.611 3.941 615 HB3 PHE 101 3HB PHE 101 -3.520 6.737 4.289 616 HD1 PHE 101 1HD PHE 101 -1.176 4.294 5.668 617 HD2 PHE 101 2HD PHE 101 -4.128 7.277 6.641 618 HE1 PHE 101 1HE PHE 101 -0.399 4.283 7.986 619 HE2 PHE 101 2HE PHE 101 -3.306 7.308 8.988 620 HZ PHE 101 HZ PHE 101 -1.418 5.844 9.669 621 H THR 102 H THR 102 -6.546 5.327 3.326 622 HA THR 102 HA THR 102 -5.958 5.527 0.382 623 HB THR 102 HB THR 102 -8.084 4.193 0.019 624 HG1 THR 102 1HG THR 102 -9.186 3.836 1.741 625 HG21 THR 102 1HG2 THR 102 -7.121 1.974 0.261 626 HG22 THR 102 2HG2 THR 102 -5.934 2.572 1.438 627 HG23 THR 102 3HG2 THR 102 -5.861 3.108 -0.256 628 H SER 103 H SER 103 -7.602 6.500 -0.777 629 HA SER 103 HA SER 103 -9.947 7.667 0.360 630 HB2 SER 103 2HB SER 103 -8.929 10.087 -0.204 631 HB3 SER 103 3HB SER 103 -8.790 9.365 1.395 632 HG SER 103 HG SER 103 -6.780 10.063 0.876 633 H VAL 104 H VAL 104 -10.807 9.380 -1.313 634 HA VAL 104 HA VAL 104 -9.867 8.807 -4.075 635 HB VAL 104 HB VAL 104 -11.625 7.226 -3.725 636 HG11 VAL 104 1HG1 VAL 104 -12.955 8.079 -1.974 637 HG12 VAL 104 2HG1 VAL 104 -13.465 9.493 -2.960 638 HG13 VAL 104 3HG1 VAL 104 -13.969 7.851 -3.383 639 HG21 VAL 104 3HG2 VAL 104 -12.775 9.443 -5.429 640 HG22 VAL 104 1HG2 VAL 104 -11.467 8.339 -5.883 641 HG23 VAL 104 2HG2 VAL 104 -13.039 7.677 -5.557 642 HA PRO 105 HA PRO 105 -10.502 13.231 -4.332 643 HB2 PRO 105 2HB PRO 105 -9.765 13.649 -6.918 644 HB3 PRO 105 3HB PRO 105 -8.574 13.199 -5.659 645 HG2 PRO 105 2HG PRO 105 -9.907 11.390 -7.697 646 HG3 PRO 105 3HG PRO 105 -8.188 11.408 -7.197 647 HD2 PRO 105 2HD PRO 105 -9.978 9.662 -6.202 648 HD3 PRO 105 3HD PRO 105 -8.563 10.208 -5.313 649 H LYS 106 H LYS 106 -12.330 14.281 -4.567 650 HA LYS 106 HA LYS 106 -14.503 13.151 -6.241 651 HB2 LYS 106 2HB LYS 106 -13.938 12.724 -3.455 652 HB3 LYS 106 3HB LYS 106 -15.290 13.809 -3.479 653 HG2 LYS 106 2HG LYS 106 -15.087 11.077 -4.820 654 HG3 LYS 106 3HG LYS 106 -15.970 11.491 -3.348 655 HD2 LYS 106 2HD LYS 106 -17.399 13.058 -4.753 656 HD3 LYS 106 3HD LYS 106 -16.603 12.401 -6.179 657 HE2 LYS 106 2HE LYS 106 -17.335 10.080 -5.401 658 HE3 LYS 106 3HE LYS 106 -18.292 10.884 -4.144 659 HZ1 LYS 106 3HZ LYS 106 -18.627 11.109 -7.082 660 HZ2 LYS 106 1HZ LYS 106 -19.417 12.098 -6.014 661 HZ3 LYS 106 2HZ LYS 106 -19.711 10.488 -6.028 662 H ARG 107 H ARG 107 -13.058 15.606 -6.523 663 HA ARG 107 HA ARG 107 -14.659 17.868 -5.628 664 HB2 ARG 107 2HB ARG 107 -12.275 17.966 -5.785 665 HB3 ARG 107 3HB ARG 107 -12.278 17.576 -7.497 666 HG2 ARG 107 2HG ARG 107 -13.675 20.083 -6.513 667 HG3 ARG 107 3HG ARG 107 -11.916 20.025 -6.625 668 HD2 ARG 107 2HD ARG 107 -12.114 19.342 -9.049 669 HD3 ARG 107 3HD ARG 107 -13.856 19.562 -8.921 670 HE ARG 107 HE ARG 107 -13.591 21.810 -9.120 671 HH11 ARG 107 1HH1 ARG 107 -10.371 20.553 -8.367 672 HH12 ARG 107 2HH1 ARG 107 -9.664 22.150 -8.392 673 HH21 ARG 107 2HH2 ARG 107 -10.948 23.952 -8.732 674 HH22 ARG 107 1HH2 ARG 107 -12.619 23.781 -9.144 Start of MODEL 16 1 H1 ALA 27 H1 ALA 27 14.545 8.533 6.764 2 H2 ALA 27 H2 ALA 27 12.957 8.421 6.343 3 H3 ALA 27 H3 ALA 27 13.880 9.607 5.702 4 HA ALA 27 HA ALA 27 13.506 7.955 4.078 5 HB1 ALA 27 1HB ALA 27 16.397 7.943 5.028 6 HB2 ALA 27 2HB ALA 27 15.819 7.524 3.404 7 HB3 ALA 27 3HB ALA 27 15.634 9.173 4.005 8 H THR 28 H THR 28 15.908 6.192 6.107 9 HA THR 28 HA THR 28 15.997 4.116 6.864 10 HB THR 28 HB THR 28 14.628 5.294 8.490 11 HG1 THR 28 1HG THR 28 13.739 2.789 8.873 12 HG21 THR 28 1HG2 THR 28 12.291 3.800 7.260 13 HG22 THR 28 2HG2 THR 28 12.458 5.548 7.511 14 HG23 THR 28 3HG2 THR 28 12.298 4.483 8.905 15 H GLN 29 H GLN 29 14.890 4.157 4.017 16 HA GLN 29 HA GLN 29 13.224 2.196 3.272 17 HB2 GLN 29 2HB GLN 29 15.884 2.955 2.120 18 HB3 GLN 29 3HB GLN 29 14.953 1.621 1.441 19 HG2 GLN 29 2HG GLN 29 14.216 3.468 0.272 20 HG3 GLN 29 3HG GLN 29 12.929 3.060 1.336 21 HE21 GLN 29 2HE2 GLN 29 12.777 6.546 1.955 22 HE22 GLN 29 1HE2 GLN 29 11.990 5.070 1.397 23 H THR 30 H THR 30 13.029 0.069 3.067 24 HA THR 30 HA THR 30 15.389 -1.716 3.398 25 HB THR 30 HB THR 30 13.855 -3.618 3.430 26 HG1 THR 30 1HG THR 30 11.606 -3.091 3.804 27 HG21 THR 30 1HG2 THR 30 12.825 -3.249 5.698 28 HG22 THR 30 2HG2 THR 30 13.301 -1.548 5.595 29 HG23 THR 30 3HG2 THR 30 14.541 -2.807 5.619 30 H GLU 31 H GLU 31 15.333 -3.495 1.597 31 HA GLU 31 HA GLU 31 14.747 -2.304 -1.012 32 HB2 GLU 31 2HB GLU 31 15.860 -4.915 -0.004 33 HB3 GLU 31 3HB GLU 31 15.308 -4.786 -1.686 34 HG2 GLU 31 2HG GLU 31 16.759 -2.872 -2.103 35 HG3 GLU 31 3HG GLU 31 17.245 -2.811 -0.410 36 H GLY 32 H GLY 32 12.951 -4.253 1.250 37 HA2 GLY 32 2HA GLY 32 10.794 -5.111 -0.417 38 HA3 GLY 32 3HA GLY 32 10.746 -4.849 1.319 39 H GLU 33 H GLU 33 11.240 -2.069 1.520 40 HA GLU 33 HA GLU 33 8.915 -0.713 1.062 41 HB2 GLU 33 2HB GLU 33 11.294 -0.231 2.203 42 HB3 GLU 33 3HB GLU 33 11.615 0.653 0.735 43 HG2 GLU 33 2HG GLU 33 9.126 1.166 2.312 44 HG3 GLU 33 3HG GLU 33 10.660 1.705 2.936 45 H LEU 34 H LEU 34 11.710 -0.861 -1.140 46 HA LEU 34 HA LEU 34 10.668 0.779 -3.219 47 HB2 LEU 34 2HB LEU 34 12.658 -1.458 -3.628 48 HB3 LEU 34 3HB LEU 34 12.581 0.103 -4.441 49 HG LEU 34 HG LEU 34 13.456 -0.479 -1.606 50 HD11 LEU 34 1HD1 LEU 34 15.092 -1.095 -3.334 51 HD12 LEU 34 2HD1 LEU 34 15.665 0.273 -2.362 52 HD13 LEU 34 3HD1 LEU 34 15.015 0.552 -3.991 53 HD21 LEU 34 3HD2 LEU 34 13.305 2.202 -3.055 54 HD22 LEU 34 1HD2 LEU 34 14.094 1.929 -1.485 55 HD23 LEU 34 2HD2 LEU 34 12.342 1.717 -1.643 56 H ARG 35 H ARG 35 10.924 -2.751 -2.910 57 HA ARG 35 HA ARG 35 9.791 -3.576 -5.392 58 HB2 ARG 35 2HB ARG 35 11.076 -5.042 -3.901 59 HB3 ARG 35 3HB ARG 35 9.895 -4.865 -2.624 60 HG2 ARG 35 2HG ARG 35 8.787 -6.634 -3.329 61 HG3 ARG 35 3HG ARG 35 8.388 -5.868 -4.846 62 HD2 ARG 35 2HD ARG 35 10.338 -6.664 -5.963 63 HD3 ARG 35 3HD ARG 35 11.107 -7.178 -4.468 64 HE ARG 35 HE ARG 35 8.954 -8.592 -5.956 65 HH11 ARG 35 1HH1 ARG 35 11.148 -8.708 -3.164 66 HH12 ARG 35 2HH1 ARG 35 11.161 -10.453 -3.246 67 HH21 ARG 35 2HH2 ARG 35 9.700 -11.541 -4.467 68 HH22 ARG 35 1HH2 ARG 35 8.905 -10.679 -5.794 69 H VAL 36 H VAL 36 8.268 -3.148 -2.217 70 HA VAL 36 HA VAL 36 5.615 -3.827 -3.051 71 HB VAL 36 HB VAL 36 6.716 -2.165 -0.727 72 HG11 VAL 36 1HG1 VAL 36 4.579 -1.161 -1.037 73 HG12 VAL 36 2HG1 VAL 36 3.807 -2.717 -1.386 74 HG13 VAL 36 3HG1 VAL 36 4.379 -2.338 0.260 75 HG21 VAL 36 3HG2 VAL 36 7.061 -4.626 -0.647 76 HG22 VAL 36 1HG2 VAL 36 5.957 -4.087 0.619 77 HG23 VAL 36 2HG2 VAL 36 5.319 -4.875 -0.844 78 H THR 37 H THR 37 7.366 -0.635 -2.722 79 HA THR 37 HA THR 37 5.250 0.935 -3.640 80 HB THR 37 HB THR 37 8.198 1.421 -4.045 81 HG1 THR 37 1HG THR 37 7.855 1.307 -1.937 82 HG21 THR 37 1HG2 THR 37 7.602 3.838 -4.074 83 HG22 THR 37 2HG2 THR 37 5.880 3.384 -4.124 84 HG23 THR 37 3HG2 THR 37 6.973 2.967 -5.468 85 H GLN 38 H GLN 38 7.591 -0.868 -5.594 86 HA GLN 38 HA GLN 38 6.856 0.271 -8.112 87 HB2 GLN 38 2HB GLN 38 7.982 -2.497 -7.460 88 HB3 GLN 38 3HB GLN 38 7.788 -1.837 -9.055 89 HG2 GLN 38 2HG GLN 38 9.877 -1.274 -7.033 90 HG3 GLN 38 3HG GLN 38 9.984 -1.321 -8.767 91 HE21 GLN 38 2HE2 GLN 38 9.475 2.261 -6.900 92 HE22 GLN 38 1HE2 GLN 38 9.593 0.733 -5.999 93 H ILE 39 H ILE 39 5.494 -2.581 -6.416 94 HA ILE 39 HA ILE 39 3.667 -3.107 -8.651 95 HB ILE 39 HB ILE 39 3.522 -4.250 -5.841 96 HG12 ILE 39 2HG1 ILE 39 4.971 -5.266 -8.334 97 HG13 ILE 39 3HG1 ILE 39 5.715 -4.752 -6.821 98 HG21 ILE 39 1HG2 ILE 39 2.298 -5.065 -8.528 99 HG22 ILE 39 2HG2 ILE 39 2.229 -6.060 -7.065 100 HG23 ILE 39 3HG2 ILE 39 1.433 -4.509 -7.073 101 HD11 ILE 39 3HD1 ILE 39 5.758 -7.092 -6.769 102 HD12 ILE 39 1HD1 ILE 39 4.428 -6.623 -5.663 103 HD13 ILE 39 2HD1 ILE 39 4.083 -7.253 -7.295 104 H LEU 40 H LEU 40 3.492 -1.261 -5.603 105 HA LEU 40 HA LEU 40 0.717 -0.624 -5.756 106 HB2 LEU 40 2HB LEU 40 3.114 0.979 -4.737 107 HB3 LEU 40 3HB LEU 40 1.473 1.565 -4.687 108 HG LEU 40 HG LEU 40 2.639 -0.888 -3.305 109 HD11 LEU 40 1HD1 LEU 40 1.347 1.633 -2.195 110 HD12 LEU 40 2HD1 LEU 40 3.092 1.368 -2.360 111 HD13 LEU 40 3HD1 LEU 40 2.153 0.342 -1.270 112 HD21 LEU 40 3HD2 LEU 40 0.444 -1.633 -3.815 113 HD22 LEU 40 1HD2 LEU 40 -0.268 -0.051 -3.441 114 HD23 LEU 40 2HD2 LEU 40 0.392 -1.078 -2.144 115 H LYS 41 H LYS 41 3.389 0.933 -7.542 116 HA LYS 41 HA LYS 41 1.807 2.931 -8.787 117 HB2 LYS 41 2HB LYS 41 4.243 1.689 -10.075 118 HB3 LYS 41 3HB LYS 41 3.524 3.286 -10.381 119 HG2 LYS 41 2HG LYS 41 3.844 3.410 -7.688 120 HG3 LYS 41 3HG LYS 41 5.116 2.290 -8.110 121 HD2 LYS 41 2HD LYS 41 6.099 3.973 -9.678 122 HD3 LYS 41 3HD LYS 41 4.847 5.132 -9.156 123 HE2 LYS 41 2HE LYS 41 5.608 4.783 -6.775 124 HE3 LYS 41 3HE LYS 41 6.903 3.741 -7.379 125 HZ1 LYS 41 3HZ LYS 41 6.610 6.620 -8.057 126 HZ2 LYS 41 1HZ LYS 41 7.783 5.648 -8.607 127 HZ3 LYS 41 2HZ LYS 41 7.695 6.002 -6.989 128 H GLU 42 H GLU 42 1.923 -0.493 -9.537 129 HA GLU 42 HA GLU 42 0.665 -0.240 -12.084 130 HB2 GLU 42 2HB GLU 42 1.923 -2.191 -10.334 131 HB3 GLU 42 3HB GLU 42 1.065 -2.762 -11.616 132 HG2 GLU 42 2HG GLU 42 2.499 -1.427 -13.070 133 HG3 GLU 42 3HG GLU 42 3.438 -0.854 -11.705 134 H LYS 43 H LYS 43 -0.089 -1.538 -8.784 135 HA LYS 43 HA LYS 43 -2.680 -2.295 -9.762 136 HB2 LYS 43 2HB LYS 43 -1.895 -1.897 -6.847 137 HB3 LYS 43 3HB LYS 43 -3.343 -2.673 -7.509 138 HG2 LYS 43 2HG LYS 43 -0.571 -3.768 -7.754 139 HG3 LYS 43 3HG LYS 43 -1.841 -4.283 -6.660 140 HD2 LYS 43 2HD LYS 43 -3.283 -5.021 -8.415 141 HD3 LYS 43 3HD LYS 43 -2.188 -4.368 -9.629 142 HE2 LYS 43 2HE LYS 43 -0.392 -5.959 -8.679 143 HE3 LYS 43 3HE LYS 43 -1.678 -6.674 -7.687 144 HZ1 LYS 43 3HZ LYS 43 -1.517 -6.625 -10.633 145 HZ2 LYS 43 1HZ LYS 43 -2.869 -7.084 -9.848 146 HZ3 LYS 43 2HZ LYS 43 -1.475 -7.968 -9.666 147 H PHE 44 H PHE 44 -1.258 0.654 -8.586 148 HA PHE 44 HA PHE 44 -3.838 1.970 -9.010 149 HB2 PHE 44 2HB PHE 44 -1.895 2.666 -6.743 150 HB3 PHE 44 3HB PHE 44 -3.504 3.335 -6.975 151 HD1 PHE 44 1HD PHE 44 -1.603 0.569 -5.489 152 HD2 PHE 44 2HD PHE 44 -5.514 1.912 -6.693 153 HE1 PHE 44 1HE PHE 44 -2.623 -1.267 -4.171 154 HE2 PHE 44 2HE PHE 44 -6.538 0.086 -5.344 155 HZ PHE 44 HZ PHE 44 -5.093 -1.508 -4.118 156 HA PRO 45 HA PRO 45 -0.772 4.532 -11.381 157 HB2 PRO 45 2HB PRO 45 -1.785 4.065 -13.903 158 HB3 PRO 45 3HB PRO 45 -0.483 3.102 -13.152 159 HG2 PRO 45 2HG PRO 45 -3.446 2.459 -13.233 160 HG3 PRO 45 3HG PRO 45 -2.069 1.371 -13.604 161 HD2 PRO 45 2HD PRO 45 -3.196 1.238 -11.216 162 HD3 PRO 45 3HD PRO 45 -1.465 1.207 -11.299 163 H ARG 46 H ARG 46 -4.300 4.151 -11.299 164 HA ARG 46 HA ARG 46 -4.746 6.856 -12.249 165 HB2 ARG 46 2HB ARG 46 -6.620 4.963 -10.817 166 HB3 ARG 46 3HB ARG 46 -7.086 6.438 -11.628 167 HG2 ARG 46 2HG ARG 46 -5.832 4.054 -13.073 168 HG3 ARG 46 3HG ARG 46 -7.545 4.310 -12.840 169 HD2 ARG 46 2HD ARG 46 -7.059 5.020 -15.035 170 HD3 ARG 46 3HD ARG 46 -7.444 6.439 -14.077 171 HE ARG 46 HE ARG 46 -5.340 7.277 -14.483 172 HH11 ARG 46 1HH1 ARG 46 -5.212 3.886 -15.500 173 HH12 ARG 46 2HH1 ARG 46 -3.519 4.045 -15.934 174 HH21 ARG 46 2HH2 ARG 46 -2.443 5.926 -15.721 175 HH22 ARG 46 1HH2 ARG 46 -3.274 7.355 -15.123 176 H ALA 47 H ALA 47 -3.437 5.802 -9.391 177 HA ALA 47 HA ALA 47 -4.666 7.406 -7.474 178 HB1 ALA 47 1HB ALA 47 -2.627 7.057 -6.170 179 HB2 ALA 47 2HB ALA 47 -3.152 5.569 -6.961 180 HB3 ALA 47 3HB ALA 47 -1.782 6.500 -7.623 181 H THR 48 H THR 48 -4.128 9.228 -6.386 182 HA THR 48 HA THR 48 -2.357 11.250 -7.771 183 HB THR 48 HB THR 48 -3.474 12.968 -6.476 184 HG1 THR 48 1HG THR 48 -5.288 12.517 -5.372 185 HG21 THR 48 1HG2 THR 48 -5.587 13.032 -7.731 186 HG22 THR 48 2HG2 THR 48 -5.405 11.318 -8.160 187 HG23 THR 48 3HG2 THR 48 -4.249 12.516 -8.773 188 H ALA 49 H ALA 49 -2.973 9.535 -4.685 189 HA ALA 49 HA ALA 49 -0.164 10.300 -3.962 190 HB1 ALA 49 1HB ALA 49 -1.869 11.139 -2.320 191 HB2 ALA 49 2HB ALA 49 -2.368 9.454 -2.041 192 HB3 ALA 49 3HB ALA 49 -0.730 9.968 -1.631 193 H ILE 50 H ILE 50 1.280 8.705 -3.938 194 HA ILE 50 HA ILE 50 0.596 6.030 -3.016 195 HB ILE 50 HB ILE 50 2.132 5.163 -5.060 196 HG12 ILE 50 2HG1 ILE 50 0.503 7.325 -6.464 197 HG13 ILE 50 3HG1 ILE 50 2.238 7.426 -6.150 198 HG21 ILE 50 1HG2 ILE 50 -0.052 4.263 -4.334 199 HG22 ILE 50 2HG2 ILE 50 -0.857 5.450 -5.384 200 HG23 ILE 50 3HG2 ILE 50 0.187 4.203 -6.082 201 HD11 ILE 50 3HD1 ILE 50 2.586 5.376 -7.525 202 HD12 ILE 50 1HD1 ILE 50 0.850 5.379 -7.928 203 HD13 ILE 50 2HD1 ILE 50 1.880 6.727 -8.431 204 H LYS 51 H LYS 51 1.845 6.210 -1.313 205 HA LYS 51 HA LYS 51 4.787 6.330 -1.678 206 HB2 LYS 51 2HB LYS 51 5.032 8.051 0.027 207 HB3 LYS 51 3HB LYS 51 4.225 8.599 -1.433 208 HG2 LYS 51 2HG LYS 51 1.997 8.098 -0.027 209 HG3 LYS 51 3HG LYS 51 3.116 8.204 1.338 210 HD2 LYS 51 2HD LYS 51 2.226 10.370 1.070 211 HD3 LYS 51 3HD LYS 51 3.851 10.449 0.354 212 HE2 LYS 51 2HE LYS 51 2.953 10.360 -1.891 213 HE3 LYS 51 3HE LYS 51 1.355 9.897 -1.314 214 HZ1 LYS 51 3HZ LYS 51 1.106 12.129 -0.353 215 HZ2 LYS 51 1HZ LYS 51 1.484 12.275 -1.929 216 HZ3 LYS 51 2HZ LYS 51 2.645 12.536 -0.793 217 H VAL 52 H VAL 52 5.999 5.451 0.013 218 HA VAL 52 HA VAL 52 4.579 3.717 1.971 219 HB VAL 52 HB VAL 52 6.873 2.772 0.207 220 HG11 VAL 52 1HG1 VAL 52 6.731 1.487 2.255 221 HG12 VAL 52 2HG1 VAL 52 5.000 1.205 2.003 222 HG13 VAL 52 3HG1 VAL 52 6.203 0.502 0.900 223 HG21 VAL 52 3HG2 VAL 52 3.911 2.222 -0.220 224 HG22 VAL 52 1HG2 VAL 52 5.029 3.051 -1.341 225 HG23 VAL 52 2HG2 VAL 52 5.245 1.354 -1.033 226 H THR 53 H THR 53 5.757 3.159 3.852 227 HA THR 53 HA THR 53 8.623 4.025 4.001 228 HB THR 53 HB THR 53 6.493 4.752 6.082 229 HG1 THR 53 1HG THR 53 6.463 6.248 4.499 230 HG21 THR 53 1HG2 THR 53 8.317 5.983 7.220 231 HG22 THR 53 2HG2 THR 53 9.482 5.132 6.160 232 HG23 THR 53 3HG2 THR 53 8.434 4.226 7.289 233 H ASP 54 H ASP 54 9.907 2.620 5.018 234 HA ASP 54 HA ASP 54 8.699 0.193 6.240 235 HB2 ASP 54 2HB ASP 54 10.735 -0.173 4.987 236 HB3 ASP 54 3HB ASP 54 11.544 1.147 5.702 237 H ILE 55 H ILE 55 8.320 -0.069 8.266 238 HA ILE 55 HA ILE 55 9.475 1.754 10.318 239 HB ILE 55 HB ILE 55 7.299 1.753 11.510 240 HG12 ILE 55 2HG1 ILE 55 6.308 0.455 8.947 241 HG13 ILE 55 3HG1 ILE 55 6.072 -0.082 10.582 242 HG21 ILE 55 1HG2 ILE 55 6.493 3.636 10.291 243 HG22 ILE 55 2HG2 ILE 55 8.230 3.589 10.006 244 HG23 ILE 55 3HG2 ILE 55 7.109 3.014 8.750 245 HD11 ILE 55 3HD1 ILE 55 3.993 0.846 9.685 246 HD12 ILE 55 1HD1 ILE 55 4.588 1.968 10.931 247 HD13 ILE 55 2HD1 ILE 55 4.802 2.341 9.201 248 H SER 56 H SER 56 10.320 -0.745 9.270 249 HA SER 56 HA SER 56 10.603 -2.275 11.770 250 HB2 SER 56 2HB SER 56 10.582 -4.355 10.348 251 HB3 SER 56 3HB SER 56 9.097 -3.608 10.874 252 HG SER 56 HG SER 56 9.958 -2.614 8.421 253 H GLY 57 H GLY 57 12.465 -0.655 11.613 254 HA2 GLY 57 2HA GLY 57 14.682 -1.208 9.985 255 HA3 GLY 57 3HA GLY 57 14.726 -0.421 11.558 256 H GLY 58 H GLY 58 13.546 -3.522 12.130 257 HA2 GLY 58 2HA GLY 58 16.273 -4.760 12.321 258 HA3 GLY 58 3HA GLY 58 15.068 -4.936 13.585 259 H CYS 59 H CYS 59 13.276 -5.108 10.831 260 HA CYS 59 HA CYS 59 13.805 -7.953 10.123 261 HB2 CYS 59 2HB CYS 59 11.652 -6.945 11.921 262 HB3 CYS 59 3HB CYS 59 11.187 -8.197 10.744 263 HG CYS 59 HG CYS 59 13.931 -8.331 12.592 264 H GLY 60 H GLY 60 12.371 -4.919 9.334 265 HA2 GLY 60 2HA GLY 60 11.298 -4.101 7.617 266 HA3 GLY 60 3HA GLY 60 12.194 -5.258 6.625 267 H ALA 61 H ALA 61 9.487 -5.723 8.983 268 HA ALA 61 HA ALA 61 7.944 -7.132 6.874 269 HB1 ALA 61 1HB ALA 61 8.800 -8.647 8.562 270 HB2 ALA 61 2HB ALA 61 8.025 -7.692 9.848 271 HB3 ALA 61 3HB ALA 61 7.032 -8.547 8.647 272 H MET 62 H MET 62 7.988 -4.258 8.378 273 HA MET 62 HA MET 62 5.088 -3.879 8.813 274 HB2 MET 62 2HB MET 62 6.962 -4.124 10.762 275 HB3 MET 62 3HB MET 62 7.263 -2.430 10.356 276 HG2 MET 62 2HG MET 62 4.726 -2.141 10.648 277 HG3 MET 62 3HG MET 62 4.829 -3.772 11.381 278 HE1 MET 62 3HE MET 62 6.394 -4.248 13.507 279 HE2 MET 62 1HE MET 62 7.773 -3.319 12.858 280 HE3 MET 62 2HE MET 62 7.151 -2.976 14.486 281 H TYR 63 H TYR 63 4.285 -2.238 7.533 282 HA TYR 63 HA TYR 63 6.122 -0.053 6.740 283 HB2 TYR 63 2HB TYR 63 4.542 -1.629 4.717 284 HB3 TYR 63 3HB TYR 63 5.356 -0.195 4.411 285 HD1 TYR 63 HD1 TYR 63 7.823 -0.212 3.949 286 HD2 TYR 63 HD2 TYR 63 5.768 -3.752 5.320 287 HE1 TYR 63 HE1 TYR 63 9.873 -1.547 3.608 288 HE2 TYR 63 HE2 TYR 63 7.810 -5.103 4.900 289 HH TYR 63 HH TYR 63 9.985 -5.031 4.486 290 H GLU 64 H GLU 64 5.248 1.814 6.274 291 HA GLU 64 HA GLU 64 2.374 2.360 6.773 292 HB2 GLU 64 2HB GLU 64 4.491 3.806 7.560 293 HB3 GLU 64 3HB GLU 64 4.456 4.372 5.897 294 HG2 GLU 64 2HG GLU 64 1.965 4.877 6.310 295 HG3 GLU 64 3HG GLU 64 2.308 4.545 7.999 296 H ILE 65 H ILE 65 0.968 2.655 5.000 297 HA ILE 65 HA ILE 65 2.164 3.287 2.334 298 HB ILE 65 HB ILE 65 0.025 1.178 2.811 299 HG12 ILE 65 2HG1 ILE 65 2.804 0.939 1.559 300 HG13 ILE 65 3HG1 ILE 65 2.389 0.405 3.185 301 HG21 ILE 65 1HG2 ILE 65 1.168 2.338 0.224 302 HG22 ILE 65 2HG2 ILE 65 0.057 0.950 0.303 303 HG23 ILE 65 3HG2 ILE 65 -0.498 2.520 0.815 304 HD11 ILE 65 3HD1 ILE 65 1.327 -0.782 0.589 305 HD12 ILE 65 1HD1 ILE 65 2.439 -1.508 1.740 306 HD13 ILE 65 2HD1 ILE 65 0.746 -1.211 2.213 307 H LYS 66 H LYS 66 1.240 4.985 1.417 308 HA LYS 66 HA LYS 66 -1.550 5.798 2.192 309 HB2 LYS 66 2HB LYS 66 0.947 7.474 1.888 310 HB3 LYS 66 3HB LYS 66 -0.663 8.186 1.734 311 HG2 LYS 66 2HG LYS 66 -1.215 7.735 3.991 312 HG3 LYS 66 3HG LYS 66 0.112 6.583 4.198 313 HD2 LYS 66 2HD LYS 66 1.734 8.485 3.929 314 HD3 LYS 66 3HD LYS 66 0.352 9.606 3.862 315 HE2 LYS 66 2HE LYS 66 -0.375 8.793 6.117 316 HE3 LYS 66 3HE LYS 66 1.015 7.697 6.153 317 HZ1 LYS 66 3HZ LYS 66 2.466 9.666 6.017 318 HZ2 LYS 66 1HZ LYS 66 1.538 9.678 7.363 319 HZ3 LYS 66 2HZ LYS 66 1.175 10.664 6.091 320 H ILE 67 H ILE 67 -2.868 5.465 0.616 321 HA ILE 67 HA ILE 67 -1.998 5.967 -2.139 322 HB ILE 67 HB ILE 67 -4.073 3.923 -1.440 323 HG12 ILE 67 2HG1 ILE 67 -1.078 3.700 -1.381 324 HG13 ILE 67 3HG1 ILE 67 -2.316 2.940 -0.458 325 HG21 ILE 67 1HG2 ILE 67 -4.169 4.846 -3.728 326 HG22 ILE 67 2HG2 ILE 67 -2.447 4.509 -3.945 327 HG23 ILE 67 3HG2 ILE 67 -3.629 3.190 -3.774 328 HD11 ILE 67 3HD1 ILE 67 -1.087 1.356 -1.838 329 HD12 ILE 67 1HD1 ILE 67 -2.772 1.427 -2.424 330 HD13 ILE 67 2HD1 ILE 67 -1.460 2.251 -3.307 331 H GLU 68 H GLU 68 -3.633 6.997 -3.470 332 HA GLU 68 HA GLU 68 -6.388 7.403 -2.493 333 HB2 GLU 68 2HB GLU 68 -5.115 9.277 -1.492 334 HB3 GLU 68 3HB GLU 68 -4.418 9.615 -2.968 335 HG2 GLU 68 2HG GLU 68 -6.543 10.432 -3.915 336 HG3 GLU 68 3HG GLU 68 -7.430 9.792 -2.541 337 H SER 69 H SER 69 -7.660 7.048 -4.322 338 HA SER 69 HA SER 69 -6.579 7.701 -7.007 339 HB2 SER 69 2HB SER 69 -5.580 5.474 -6.434 340 HB3 SER 69 3HB SER 69 -7.173 4.877 -6.098 341 HG SER 69 HG SER 69 -6.733 4.285 -8.215 342 H GLU 70 H GLU 70 -8.010 7.722 -8.620 343 HA GLU 70 HA GLU 70 -10.684 8.458 -8.108 344 HB2 GLU 70 2HB GLU 70 -9.173 7.547 -10.471 345 HB3 GLU 70 3HB GLU 70 -10.869 8.028 -10.645 346 HG2 GLU 70 2HG GLU 70 -10.240 10.278 -9.757 347 HG3 GLU 70 3HG GLU 70 -8.543 9.766 -9.724 348 H GLU 71 H GLU 71 -9.410 5.221 -8.518 349 HA GLU 71 HA GLU 71 -11.953 4.005 -9.264 350 HB2 GLU 71 2HB GLU 71 -10.807 1.942 -9.170 351 HB3 GLU 71 3HB GLU 71 -9.694 3.127 -9.853 352 HG2 GLU 71 2HG GLU 71 -8.993 3.365 -7.237 353 HG3 GLU 71 3HG GLU 71 -9.629 1.727 -7.184 354 H PHE 72 H PHE 72 -10.609 5.040 -6.204 355 HA PHE 72 HA PHE 72 -11.721 2.838 -4.687 356 HB2 PHE 72 2HB PHE 72 -10.147 5.334 -4.104 357 HB3 PHE 72 3HB PHE 72 -10.925 4.560 -2.784 358 HD1 PHE 72 1HD PHE 72 -10.500 1.597 -3.500 359 HD2 PHE 72 2HD PHE 72 -7.908 5.045 -3.576 360 HE1 PHE 72 1HE PHE 72 -8.564 0.156 -3.036 361 HE2 PHE 72 2HE PHE 72 -5.972 3.582 -3.092 362 HZ PHE 72 HZ PHE 72 -6.295 1.144 -2.826 363 H LYS 73 H LYS 73 -13.620 4.708 -6.143 364 HA LYS 73 HA LYS 73 -15.106 5.897 -3.901 365 HB2 LYS 73 2HB LYS 73 -16.669 6.814 -5.596 366 HB3 LYS 73 3HB LYS 73 -15.034 7.403 -5.687 367 HG2 LYS 73 2HG LYS 73 -14.795 6.760 -7.811 368 HG3 LYS 73 3HG LYS 73 -15.295 5.105 -7.467 369 HD2 LYS 73 2HD LYS 73 -17.641 5.705 -7.633 370 HD3 LYS 73 3HD LYS 73 -17.238 7.422 -7.881 371 HE2 LYS 73 2HE LYS 73 -16.114 6.915 -9.991 372 HE3 LYS 73 3HE LYS 73 -16.323 5.178 -9.720 373 HZ1 LYS 73 3HZ LYS 73 -18.734 5.523 -9.823 374 HZ2 LYS 73 1HZ LYS 73 -18.015 5.956 -11.217 375 HZ3 LYS 73 2HZ LYS 73 -18.523 7.125 -10.200 376 H GLU 74 H GLU 74 -15.586 3.380 -6.317 377 HA GLU 74 HA GLU 74 -18.180 2.559 -5.223 378 HB2 GLU 74 2HB GLU 74 -17.665 2.719 -7.626 379 HB3 GLU 74 3HB GLU 74 -16.513 1.417 -7.488 380 HG2 GLU 74 2HG GLU 74 -18.383 -0.129 -6.835 381 HG3 GLU 74 3HG GLU 74 -19.505 1.231 -6.867 382 H LYS 75 H LYS 75 -16.351 2.510 -3.247 383 HA LYS 75 HA LYS 75 -16.176 -0.309 -2.357 384 HB2 LYS 75 2HB LYS 75 -13.942 1.788 -2.298 385 HB3 LYS 75 3HB LYS 75 -13.840 0.204 -1.549 386 HG2 LYS 75 2HG LYS 75 -14.137 0.660 -4.547 387 HG3 LYS 75 3HG LYS 75 -12.630 0.488 -3.711 388 HD2 LYS 75 2HD LYS 75 -12.991 -1.788 -3.168 389 HD3 LYS 75 3HD LYS 75 -14.753 -1.678 -3.409 390 HE2 LYS 75 2HE LYS 75 -14.547 -1.405 -5.732 391 HE3 LYS 75 3HE LYS 75 -12.792 -1.203 -5.653 392 HZ1 LYS 75 3HZ LYS 75 -14.288 -3.723 -5.060 393 HZ2 LYS 75 1HZ LYS 75 -12.676 -3.575 -4.853 394 HZ3 LYS 75 2HZ LYS 75 -13.302 -3.451 -6.355 395 H ARG 76 H ARG 76 -16.587 -0.590 -0.204 396 HA ARG 76 HA ARG 76 -16.885 1.561 1.645 397 HB2 ARG 76 2HB ARG 76 -16.119 -1.264 2.404 398 HB3 ARG 76 3HB ARG 76 -17.002 -0.069 3.202 399 HG2 ARG 76 2HG ARG 76 -18.834 -0.209 1.432 400 HG3 ARG 76 3HG ARG 76 -18.120 -1.789 1.036 401 HD2 ARG 76 2HD ARG 76 -18.598 -2.634 3.239 402 HD3 ARG 76 3HD ARG 76 -18.867 -1.005 3.864 403 HE ARG 76 HE ARG 76 -21.016 -1.008 3.156 404 HH11 ARG 76 1HH1 ARG 76 -19.543 -3.780 1.540 405 HH12 ARG 76 2HH1 ARG 76 -21.026 -4.130 0.669 406 HH21 ARG 76 2HH2 ARG 76 -22.894 -3.059 1.161 407 HH22 ARG 76 1HH2 ARG 76 -22.845 -1.613 2.146 408 H THR 77 H THR 77 -15.423 1.604 3.626 409 HA THR 77 HA THR 77 -12.720 2.096 3.043 410 HB THR 77 HB THR 77 -14.058 1.257 5.594 411 HG1 THR 77 1HG THR 77 -14.053 3.648 5.848 412 HG21 THR 77 1HG2 THR 77 -11.534 2.987 5.139 413 HG22 THR 77 2HG2 THR 77 -11.537 1.349 5.823 414 HG23 THR 77 3HG2 THR 77 -12.273 2.672 6.726 415 H VAL 78 H VAL 78 -14.036 -0.841 4.598 416 HA VAL 78 HA VAL 78 -11.598 -2.316 4.608 417 HB VAL 78 HB VAL 78 -13.625 -2.949 5.832 418 HG11 VAL 78 1HG1 VAL 78 -15.489 -4.057 4.762 419 HG12 VAL 78 2HG1 VAL 78 -15.279 -2.436 4.078 420 HG13 VAL 78 3HG1 VAL 78 -14.763 -3.882 3.169 421 HG21 VAL 78 3HG2 VAL 78 -12.712 -5.171 3.954 422 HG22 VAL 78 1HG2 VAL 78 -11.860 -4.639 5.421 423 HG23 VAL 78 2HG2 VAL 78 -13.471 -5.360 5.545 424 H GLN 79 H GLN 79 -13.954 -1.851 1.979 425 HA GLN 79 HA GLN 79 -12.608 -3.792 0.266 426 HB2 GLN 79 2HB GLN 79 -14.692 -1.737 -0.544 427 HB3 GLN 79 3HB GLN 79 -14.094 -3.116 -1.476 428 HG2 GLN 79 2HG GLN 79 -14.896 -4.449 0.716 429 HG3 GLN 79 3HG GLN 79 -16.028 -3.097 0.804 430 HE21 GLN 79 2HE2 GLN 79 -17.721 -4.260 -2.244 431 HE22 GLN 79 1HE2 GLN 79 -17.555 -2.828 -1.244 432 H GLN 80 H GLN 80 -12.199 -0.307 0.818 433 HA GLN 80 HA GLN 80 -10.292 0.072 -1.345 434 HB2 GLN 80 2HB GLN 80 -10.562 1.496 1.346 435 HB3 GLN 80 3HB GLN 80 -9.448 1.962 0.078 436 HG2 GLN 80 2HG GLN 80 -11.336 2.469 -1.436 437 HG3 GLN 80 3HG GLN 80 -12.480 1.975 -0.206 438 HE21 GLN 80 2HE2 GLN 80 -12.380 5.659 0.018 439 HE22 GLN 80 1HE2 GLN 80 -12.843 4.491 -1.206 440 H HIS 81 H HIS 81 -9.839 -0.722 2.180 441 HA HIS 81 HA HIS 81 -7.044 -1.059 2.156 442 HB2 HIS 81 2HB HIS 81 -9.153 -2.525 3.792 443 HB3 HIS 81 3HB HIS 81 -7.428 -2.574 4.110 444 HD1 HIS 81 1HD HIS 81 -9.844 -1.250 6.006 445 HD2 HIS 81 2HD HIS 81 -6.761 0.582 3.793 446 HE1 HIS 81 1HE HIS 81 -9.397 0.992 7.119 447 H GLN 82 H GLN 82 -9.437 -3.700 1.647 448 HA GLN 82 HA GLN 82 -7.867 -5.887 1.233 449 HB2 GLN 82 2HB GLN 82 -10.289 -5.904 1.301 450 HB3 GLN 82 3HB GLN 82 -10.384 -4.982 -0.198 451 HG2 GLN 82 2HG GLN 82 -10.908 -7.287 -0.628 452 HG3 GLN 82 3HG GLN 82 -9.429 -6.860 -1.466 453 HE21 GLN 82 2HE2 GLN 82 -8.475 -10.076 -0.247 454 HE22 GLN 82 1HE2 GLN 82 -8.801 -9.039 -1.628 455 H MET 83 H MET 83 -8.596 -3.450 -1.353 456 HA MET 83 HA MET 83 -7.260 -4.786 -3.466 457 HB2 MET 83 2HB MET 83 -7.653 -1.813 -2.974 458 HB3 MET 83 3HB MET 83 -7.266 -2.551 -4.536 459 HG2 MET 83 2HG MET 83 -9.308 -3.765 -4.544 460 HG3 MET 83 3HG MET 83 -9.742 -3.291 -2.937 461 HE1 MET 83 3HE MET 83 -8.429 -0.869 -5.861 462 HE2 MET 83 1HE MET 83 -9.406 -2.138 -6.635 463 HE3 MET 83 2HE MET 83 -10.000 -0.461 -6.578 464 H VAL 84 H VAL 84 -6.116 -2.321 -1.228 465 HA VAL 84 HA VAL 84 -3.395 -2.098 -2.191 466 HB VAL 84 HB VAL 84 -4.182 -1.580 0.679 467 HG11 VAL 84 1HG1 VAL 84 -1.913 -1.070 0.443 468 HG12 VAL 84 2HG1 VAL 84 -2.117 -0.487 -1.212 469 HG13 VAL 84 3HG1 VAL 84 -2.662 0.528 0.135 470 HG21 VAL 84 3HG2 VAL 84 -5.941 -0.517 -0.562 471 HG22 VAL 84 1HG2 VAL 84 -4.878 0.675 0.133 472 HG23 VAL 84 2HG2 VAL 84 -4.741 0.298 -1.607 473 H ASN 85 H ASN 85 -4.951 -4.255 0.107 474 HA ASN 85 HA ASN 85 -2.595 -5.486 1.274 475 HB2 ASN 85 2HB ASN 85 -5.581 -5.941 1.209 476 HB3 ASN 85 3HB ASN 85 -4.554 -7.329 1.617 477 HD21 ASN 85 2HD2 ASN 85 -5.051 -4.227 4.189 478 HD22 ASN 85 1HD2 ASN 85 -5.306 -3.993 2.466 479 H GLN 86 H GLN 86 -4.917 -6.606 -1.225 480 HA GLN 86 HA GLN 86 -3.425 -8.930 -1.928 481 HB2 GLN 86 2HB GLN 86 -5.926 -7.838 -2.503 482 HB3 GLN 86 3HB GLN 86 -5.144 -7.687 -4.059 483 HG2 GLN 86 2HG GLN 86 -5.011 -10.333 -2.586 484 HG3 GLN 86 3HG GLN 86 -6.547 -9.825 -3.258 485 HE21 GLN 86 2HE2 GLN 86 -3.631 -10.779 -5.976 486 HE22 GLN 86 1HE2 GLN 86 -3.098 -10.027 -4.486 487 H ALA 87 H ALA 87 -2.909 -5.628 -2.910 488 HA ALA 87 HA ALA 87 -1.659 -5.898 -5.410 489 HB1 ALA 87 1HB ALA 87 -2.346 -3.751 -4.329 490 HB2 ALA 87 2HB ALA 87 -1.080 -3.968 -3.098 491 HB3 ALA 87 3HB ALA 87 -0.629 -3.714 -4.785 492 H LEU 88 H LEU 88 -0.291 -6.236 -2.141 493 HA LEU 88 HA LEU 88 2.230 -7.253 -3.405 494 HB2 LEU 88 2HB LEU 88 3.577 -6.150 -1.976 495 HB3 LEU 88 3HB LEU 88 2.421 -4.979 -2.561 496 HG LEU 88 HG LEU 88 2.773 -4.377 -0.359 497 HD11 LEU 88 1HD1 LEU 88 0.315 -6.105 -0.029 498 HD12 LEU 88 2HD1 LEU 88 0.349 -4.517 -0.838 499 HD13 LEU 88 3HD1 LEU 88 0.751 -4.654 0.880 500 HD21 LEU 88 3HD2 LEU 88 2.377 -7.169 0.713 501 HD22 LEU 88 1HD2 LEU 88 2.975 -5.734 1.549 502 HD23 LEU 88 2HD2 LEU 88 3.965 -6.468 0.273 503 H LYS 89 H LYS 89 -0.310 -8.386 -1.743 504 HA LYS 89 HA LYS 89 0.639 -9.860 0.418 505 HB2 LYS 89 2HB LYS 89 -1.715 -9.712 -0.096 506 HB3 LYS 89 3HB LYS 89 -1.509 -10.471 -1.678 507 HG2 LYS 89 2HG LYS 89 -1.203 -12.593 -0.802 508 HG3 LYS 89 3HG LYS 89 -0.602 -12.021 0.717 509 HD2 LYS 89 2HD LYS 89 -2.668 -12.733 1.447 510 HD3 LYS 89 3HD LYS 89 -3.090 -11.084 1.037 511 HE2 LYS 89 2HE LYS 89 -4.796 -12.194 -0.024 512 HE3 LYS 89 3HE LYS 89 -3.640 -12.111 -1.358 513 HZ1 LYS 89 3HZ LYS 89 -4.553 -14.352 -1.069 514 HZ2 LYS 89 1HZ LYS 89 -4.001 -14.422 0.485 515 HZ3 LYS 89 2HZ LYS 89 -2.934 -14.394 -0.767 516 H GLU 90 H GLU 90 1.033 -10.633 -3.073 517 HA GLU 90 HA GLU 90 1.926 -13.272 -2.373 518 HB2 GLU 90 2HB GLU 90 1.297 -11.692 -4.834 519 HB3 GLU 90 3HB GLU 90 2.394 -13.012 -5.034 520 HG2 GLU 90 2HG GLU 90 0.755 -14.585 -4.115 521 HG3 GLU 90 3HG GLU 90 -0.325 -13.254 -3.686 522 H GLU 91 H GLU 91 3.443 -10.280 -2.374 523 HA GLU 91 HA GLU 91 6.201 -11.235 -2.965 524 HB2 GLU 91 2HB GLU 91 4.751 -8.581 -2.766 525 HB3 GLU 91 3HB GLU 91 6.448 -8.641 -2.378 526 HG2 GLU 91 2HG GLU 91 5.970 -7.979 -4.682 527 HG3 GLU 91 3HG GLU 91 7.055 -9.342 -4.534 528 H ILE 92 H ILE 92 4.314 -9.536 -0.429 529 HA ILE 92 HA ILE 92 5.815 -10.913 1.724 530 HB ILE 92 HB ILE 92 5.481 -7.883 1.586 531 HG12 ILE 92 2HG1 ILE 92 7.926 -9.676 1.343 532 HG13 ILE 92 3HG1 ILE 92 7.310 -8.518 0.160 533 HG21 ILE 92 1HG2 ILE 92 6.770 -9.599 3.756 534 HG22 ILE 92 2HG2 ILE 92 6.591 -7.832 3.765 535 HG23 ILE 92 3HG2 ILE 92 5.164 -8.825 3.879 536 HD11 ILE 92 3HD1 ILE 92 8.664 -7.892 2.788 537 HD12 ILE 92 1HD1 ILE 92 9.238 -7.549 1.148 538 HD13 ILE 92 2HD1 ILE 92 7.828 -6.669 1.788 539 H LYS 93 H LYS 93 4.042 -12.040 2.502 540 HA LYS 93 HA LYS 93 1.377 -10.952 2.359 541 HB2 LYS 93 2HB LYS 93 0.874 -13.129 3.534 542 HB3 LYS 93 3HB LYS 93 1.634 -13.295 1.959 543 HG2 LYS 93 2HG LYS 93 3.705 -13.943 2.934 544 HG3 LYS 93 3HG LYS 93 3.247 -13.335 4.535 545 HD2 LYS 93 2HD LYS 93 3.227 -15.729 4.562 546 HD3 LYS 93 3HD LYS 93 1.576 -15.135 4.733 547 HE2 LYS 93 2HE LYS 93 1.119 -15.647 2.358 548 HE3 LYS 93 3HE LYS 93 2.811 -16.128 2.119 549 HZ1 LYS 93 3HZ LYS 93 1.341 -18.043 2.509 550 HZ2 LYS 93 1HZ LYS 93 0.935 -17.453 3.987 551 HZ3 LYS 93 2HZ LYS 93 2.500 -17.917 3.664 552 H GLU 94 H GLU 94 3.679 -10.301 4.619 553 HA GLU 94 HA GLU 94 2.579 -10.766 7.073 554 HB2 GLU 94 2HB GLU 94 4.759 -8.873 6.259 555 HB3 GLU 94 3HB GLU 94 4.516 -9.705 7.774 556 HG2 GLU 94 2HG GLU 94 4.723 -11.903 6.391 557 HG3 GLU 94 3HG GLU 94 5.474 -10.884 5.181 558 H MET 95 H MET 95 0.556 -9.161 5.676 559 HA MET 95 HA MET 95 0.607 -6.458 6.492 560 HB2 MET 95 2HB MET 95 -1.683 -8.218 5.589 561 HB3 MET 95 3HB MET 95 -1.889 -6.512 5.988 562 HG2 MET 95 2HG MET 95 -1.576 -6.469 3.691 563 HG3 MET 95 3HG MET 95 -0.044 -5.953 4.363 564 HE1 MET 95 3HE MET 95 -1.883 -8.408 2.007 565 HE2 MET 95 1HE MET 95 -0.945 -9.911 2.190 566 HE3 MET 95 2HE MET 95 -1.902 -9.292 3.549 567 H HIS 96 H HIS 96 0.404 -8.894 8.751 568 HA HIS 96 HA HIS 96 -1.074 -7.426 10.745 569 HB2 HIS 96 2HB HIS 96 -0.054 -8.750 12.336 570 HB3 HIS 96 3HB HIS 96 -0.150 -9.809 10.944 571 HD1 HIS 96 1HD HIS 96 2.359 -8.083 13.246 572 HD2 HIS 96 2HD HIS 96 2.277 -10.562 9.836 573 HE1 HIS 96 1HE HIS 96 4.684 -9.058 13.019 574 H GLY 97 H GLY 97 1.993 -6.954 9.228 575 HA2 GLY 97 2HA GLY 97 3.101 -4.908 10.977 576 HA3 GLY 97 3HA GLY 97 3.642 -5.401 9.396 577 H LEU 98 H LEU 98 0.968 -4.827 8.192 578 HA LEU 98 HA LEU 98 2.060 -2.241 7.299 579 HB2 LEU 98 2HB LEU 98 0.363 -4.305 5.982 580 HB3 LEU 98 3HB LEU 98 0.490 -2.655 5.371 581 HG LEU 98 HG LEU 98 3.065 -2.898 5.669 582 HD11 LEU 98 1HD1 LEU 98 3.196 -5.019 6.868 583 HD12 LEU 98 2HD1 LEU 98 4.004 -5.089 5.308 584 HD13 LEU 98 3HD1 LEU 98 2.420 -5.848 5.487 585 HD21 LEU 98 3HD2 LEU 98 1.625 -4.415 3.513 586 HD22 LEU 98 1HD2 LEU 98 3.297 -3.771 3.456 587 HD23 LEU 98 2HD2 LEU 98 1.931 -2.655 3.631 588 H ARG 99 H ARG 99 1.364 -0.400 7.673 589 HA ARG 99 HA ARG 99 -1.319 0.201 8.854 590 HB2 ARG 99 2HB ARG 99 0.879 0.775 10.004 591 HB3 ARG 99 3HB ARG 99 1.084 2.017 8.762 592 HG2 ARG 99 2HG ARG 99 -1.254 2.861 9.430 593 HG3 ARG 99 3HG ARG 99 -1.189 1.722 10.787 594 HD2 ARG 99 2HD ARG 99 0.815 2.833 11.669 595 HD3 ARG 99 3HD ARG 99 0.868 3.865 10.227 596 HE ARG 99 HE ARG 99 -1.672 4.263 11.290 597 HH11 ARG 99 1HH1 ARG 99 1.491 4.837 12.794 598 HH12 ARG 99 2HH1 ARG 99 0.806 6.124 13.772 599 HH21 ARG 99 2HH2 ARG 99 -1.399 6.539 13.713 600 HH22 ARG 99 1HH2 ARG 99 -2.388 5.706 12.525 601 H ILE 100 H ILE 100 -2.735 0.453 7.170 602 HA ILE 100 HA ILE 100 -1.888 2.078 4.794 603 HB ILE 100 HB ILE 100 -4.289 0.218 4.745 604 HG12 ILE 100 2HG1 ILE 100 -1.437 -0.768 4.455 605 HG13 ILE 100 3HG1 ILE 100 -2.713 -1.282 5.587 606 HG21 ILE 100 1HG2 ILE 100 -3.793 0.096 2.353 607 HG22 ILE 100 2HG2 ILE 100 -3.923 1.757 2.827 608 HG23 ILE 100 3HG2 ILE 100 -2.311 1.051 2.583 609 HD11 ILE 100 3HD1 ILE 100 -4.080 -2.031 3.624 610 HD12 ILE 100 1HD1 ILE 100 -2.618 -1.861 2.622 611 HD13 ILE 100 2HD1 ILE 100 -2.622 -2.992 3.977 612 H PHE 101 H PHE 101 -2.779 3.469 3.887 613 HA PHE 101 HA PHE 101 -5.090 4.947 5.071 614 HB2 PHE 101 2HB PHE 101 -2.327 5.687 4.047 615 HB3 PHE 101 3HB PHE 101 -3.533 6.838 4.386 616 HD1 PHE 101 1HD PHE 101 -3.917 7.601 6.693 617 HD2 PHE 101 2HD PHE 101 -1.174 4.400 5.810 618 HE1 PHE 101 1HE PHE 101 -2.971 7.766 8.982 619 HE2 PHE 101 2HE PHE 101 -0.225 4.569 8.066 620 HZ PHE 101 HZ PHE 101 -1.104 6.281 9.670 621 H THR 102 H THR 102 -6.678 5.244 3.534 622 HA THR 102 HA THR 102 -6.026 5.458 0.591 623 HB THR 102 HB THR 102 -8.123 4.129 0.196 624 HG1 THR 102 1HG THR 102 -9.293 3.809 1.860 625 HG21 THR 102 1HG2 THR 102 -7.159 1.907 0.556 626 HG22 THR 102 2HG2 THR 102 -6.022 2.554 1.753 627 HG23 THR 102 3HG2 THR 102 -5.886 3.029 0.045 628 H SER 103 H SER 103 -7.538 6.442 -0.654 629 HA SER 103 HA SER 103 -9.950 7.653 0.301 630 HB2 SER 103 2HB SER 103 -8.895 10.033 -0.348 631 HB3 SER 103 3HB SER 103 -8.828 9.416 1.295 632 HG SER 103 HG SER 103 -6.816 10.243 -0.068 633 H VAL 104 H VAL 104 -10.688 9.347 -1.518 634 HA VAL 104 HA VAL 104 -9.633 8.578 -4.198 635 HB VAL 104 HB VAL 104 -11.448 7.077 -3.934 636 HG11 VAL 104 1HG1 VAL 104 -12.775 8.104 -2.201 637 HG12 VAL 104 2HG1 VAL 104 -13.289 9.395 -3.333 638 HG13 VAL 104 3HG1 VAL 104 -13.749 7.704 -3.610 639 HG21 VAL 104 3HG2 VAL 104 -12.828 7.583 -5.811 640 HG22 VAL 104 1HG2 VAL 104 -12.494 9.333 -5.679 641 HG23 VAL 104 2HG2 VAL 104 -11.228 8.179 -6.118 642 HA PRO 105 HA PRO 105 -9.812 12.960 -4.512 643 HB2 PRO 105 2HB PRO 105 -8.874 13.360 -7.015 644 HB3 PRO 105 3HB PRO 105 -7.901 12.718 -5.656 645 HG2 PRO 105 2HG PRO 105 -9.294 11.167 -7.867 646 HG3 PRO 105 3HG PRO 105 -7.615 10.934 -7.297 647 HD2 PRO 105 2HD PRO 105 -9.666 9.420 -6.454 648 HD3 PRO 105 3HD PRO 105 -8.246 9.757 -5.472 649 H LYS 106 H LYS 106 -11.858 13.537 -4.325 650 HA LYS 106 HA LYS 106 -13.612 13.907 -6.695 651 HB2 LYS 106 2HB LYS 106 -14.074 11.672 -5.917 652 HB3 LYS 106 3HB LYS 106 -14.234 12.223 -4.243 653 HG2 LYS 106 2HG LYS 106 -16.187 13.391 -4.662 654 HG3 LYS 106 3HG LYS 106 -16.047 13.307 -6.420 655 HD2 LYS 106 2HD LYS 106 -16.582 10.938 -4.567 656 HD3 LYS 106 3HD LYS 106 -17.793 11.756 -5.545 657 HE2 LYS 106 2HE LYS 106 -15.394 10.195 -6.622 658 HE3 LYS 106 3HE LYS 106 -17.056 9.613 -6.573 659 HZ1 LYS 106 3HZ LYS 106 -16.187 11.995 -8.138 660 HZ2 LYS 106 1HZ LYS 106 -17.684 11.342 -8.128 661 HZ3 LYS 106 2HZ LYS 106 -16.415 10.497 -8.754 662 H ARG 107 H ARG 107 -13.208 16.045 -6.459 663 HA ARG 107 HA ARG 107 -13.551 17.473 -3.955 664 HB2 ARG 107 2HB ARG 107 -12.767 19.412 -5.048 665 HB3 ARG 107 3HB ARG 107 -11.744 18.029 -5.446 666 HG2 ARG 107 2HG ARG 107 -12.891 17.806 -7.621 667 HG3 ARG 107 3HG ARG 107 -13.953 19.150 -7.194 668 HD2 ARG 107 2HD ARG 107 -11.881 20.607 -6.986 669 HD3 ARG 107 3HD ARG 107 -10.944 19.272 -7.663 670 HE ARG 107 HE ARG 107 -13.003 20.946 -8.997 671 HH11 ARG 107 1HH1 ARG 107 -10.441 18.544 -9.509 672 HH12 ARG 107 2HH1 ARG 107 -10.818 18.493 -11.229 673 HH21 ARG 107 2HH2 ARG 107 -12.256 19.713 -12.129 674 HH22 ARG 107 1HH2 ARG 107 -13.357 20.689 -11.186 Start of MODEL 17 1 H1 ALA 27 H1 ALA 27 11.462 4.114 10.669 2 H2 ALA 27 H2 ALA 27 11.631 3.537 12.188 3 H3 ALA 27 H3 ALA 27 12.052 2.588 10.903 4 HA ALA 27 HA ALA 27 13.360 5.023 11.871 5 HB1 ALA 27 1HB ALA 27 14.415 2.184 11.552 6 HB2 ALA 27 2HB ALA 27 15.360 3.597 12.078 7 HB3 ALA 27 3HB ALA 27 14.018 3.010 13.076 8 H THR 28 H THR 28 13.763 2.578 9.197 9 HA THR 28 HA THR 28 14.640 4.682 7.348 10 HB THR 28 HB THR 28 16.649 4.303 8.747 11 HG1 THR 28 1HG THR 28 17.807 3.370 6.674 12 HG21 THR 28 1HG2 THR 28 16.715 1.494 7.578 13 HG22 THR 28 2HG2 THR 28 16.325 1.872 9.272 14 HG23 THR 28 3HG2 THR 28 17.926 2.259 8.629 15 H GLN 29 H GLN 29 15.397 3.691 5.244 16 HA GLN 29 HA GLN 29 13.306 2.099 4.160 17 HB2 GLN 29 2HB GLN 29 15.812 3.310 3.117 18 HB3 GLN 29 3HB GLN 29 15.014 2.033 2.190 19 HG2 GLN 29 2HG GLN 29 14.072 4.082 1.495 20 HG3 GLN 29 3HG GLN 29 12.857 3.167 2.318 21 HE21 GLN 29 2HE2 GLN 29 12.075 6.171 4.027 22 HE22 GLN 29 1HE2 GLN 29 11.532 4.901 2.933 23 H THR 30 H THR 30 13.255 0.102 3.193 24 HA THR 30 HA THR 30 15.486 -1.799 3.616 25 HB THR 30 HB THR 30 13.820 -3.663 3.566 26 HG1 THR 30 1HG THR 30 11.832 -2.294 4.651 27 HG21 THR 30 1HG2 THR 30 13.546 -1.691 5.828 28 HG22 THR 30 2HG2 THR 30 14.876 -2.840 5.660 29 HG23 THR 30 3HG2 THR 30 13.222 -3.432 5.934 30 H GLU 31 H GLU 31 15.393 -3.653 1.891 31 HA GLU 31 HA GLU 31 15.230 -2.601 -0.799 32 HB2 GLU 31 2HB GLU 31 15.288 -5.430 0.353 33 HB3 GLU 31 3HB GLU 31 15.338 -5.059 -1.370 34 HG2 GLU 31 2HG GLU 31 17.434 -3.821 -1.102 35 HG3 GLU 31 3HG GLU 31 17.397 -4.085 0.640 36 H GLY 32 H GLY 32 12.971 -4.261 1.342 37 HA2 GLY 32 2HA GLY 32 10.957 -4.920 -0.566 38 HA3 GLY 32 3HA GLY 32 10.757 -4.841 1.185 39 H GLU 33 H GLU 33 11.411 -2.001 1.499 40 HA GLU 33 HA GLU 33 9.031 -0.625 1.151 41 HB2 GLU 33 2HB GLU 33 11.445 -0.192 2.286 42 HB3 GLU 33 3HB GLU 33 11.673 0.817 0.888 43 HG2 GLU 33 2HG GLU 33 9.260 1.054 2.652 44 HG3 GLU 33 3HG GLU 33 10.792 1.740 3.127 45 H LEU 34 H LEU 34 11.825 -0.693 -1.058 46 HA LEU 34 HA LEU 34 10.774 1.041 -3.067 47 HB2 LEU 34 2HB LEU 34 12.780 -1.178 -3.545 48 HB3 LEU 34 3HB LEU 34 12.666 0.389 -4.333 49 HG LEU 34 HG LEU 34 13.600 -0.231 -1.526 50 HD11 LEU 34 1HD1 LEU 34 15.764 0.611 -2.349 51 HD12 LEU 34 2HD1 LEU 34 15.050 0.922 -3.944 52 HD13 LEU 34 3HD1 LEU 34 15.192 -0.741 -3.332 53 HD21 LEU 34 3HD2 LEU 34 14.145 2.183 -1.305 54 HD22 LEU 34 1HD2 LEU 34 12.413 1.959 -1.505 55 HD23 LEU 34 2HD2 LEU 34 13.394 2.505 -2.882 56 H ARG 35 H ARG 35 11.046 -2.491 -2.855 57 HA ARG 35 HA ARG 35 9.873 -3.214 -5.348 58 HB2 ARG 35 2HB ARG 35 11.171 -4.765 -3.985 59 HB3 ARG 35 3HB ARG 35 10.032 -4.633 -2.655 60 HG2 ARG 35 2HG ARG 35 8.822 -6.315 -3.421 61 HG3 ARG 35 3HG ARG 35 8.489 -5.490 -4.931 62 HD2 ARG 35 2HD ARG 35 10.791 -6.274 -5.742 63 HD3 ARG 35 3HD ARG 35 10.863 -7.298 -4.309 64 HE ARG 35 HE ARG 35 9.263 -8.722 -5.240 65 HH11 ARG 35 1HH1 ARG 35 9.698 -5.951 -7.474 66 HH12 ARG 35 2HH1 ARG 35 8.699 -6.776 -8.669 67 HH21 ARG 35 2HH2 ARG 35 7.809 -8.554 -8.378 68 HH22 ARG 35 1HH2 ARG 35 7.859 -9.451 -6.863 69 H VAL 36 H VAL 36 8.360 -2.765 -2.156 70 HA VAL 36 HA VAL 36 5.724 -3.506 -3.023 71 HB VAL 36 HB VAL 36 6.750 -1.842 -0.675 72 HG11 VAL 36 1HG1 VAL 36 4.373 -2.078 0.236 73 HG12 VAL 36 2HG1 VAL 36 4.595 -0.881 -1.034 74 HG13 VAL 36 3HG1 VAL 36 3.873 -2.432 -1.443 75 HG21 VAL 36 3HG2 VAL 36 5.410 -4.577 -0.867 76 HG22 VAL 36 1HG2 VAL 36 7.132 -4.298 -0.599 77 HG23 VAL 36 2HG2 VAL 36 5.969 -3.797 0.630 78 H THR 37 H THR 37 7.463 -0.331 -2.733 79 HA THR 37 HA THR 37 5.356 1.266 -3.721 80 HB THR 37 HB THR 37 8.295 1.758 -4.122 81 HG1 THR 37 1HG THR 37 7.985 1.540 -1.958 82 HG21 THR 37 1HG2 THR 37 6.973 3.359 -5.419 83 HG22 THR 37 2HG2 THR 37 7.677 4.167 -4.019 84 HG23 THR 37 3HG2 THR 37 5.961 3.701 -3.997 85 H GLN 38 H GLN 38 7.721 -0.626 -5.548 86 HA GLN 38 HA GLN 38 7.073 0.477 -8.116 87 HB2 GLN 38 2HB GLN 38 8.208 -2.265 -7.408 88 HB3 GLN 38 3HB GLN 38 8.085 -1.582 -9.002 89 HG2 GLN 38 2HG GLN 38 10.058 -1.017 -6.871 90 HG3 GLN 38 3HG GLN 38 10.260 -1.084 -8.596 91 HE21 GLN 38 2HE2 GLN 38 9.808 2.515 -6.828 92 HE22 GLN 38 1HE2 GLN 38 9.782 1.005 -5.882 93 H ILE 39 H ILE 39 5.760 -2.433 -6.440 94 HA ILE 39 HA ILE 39 4.050 -3.051 -8.733 95 HB ILE 39 HB ILE 39 3.812 -4.146 -5.908 96 HG12 ILE 39 2HG1 ILE 39 5.456 -5.137 -8.282 97 HG13 ILE 39 3HG1 ILE 39 6.086 -4.543 -6.758 98 HG21 ILE 39 1HG2 ILE 39 2.800 -5.088 -8.641 99 HG22 ILE 39 2HG2 ILE 39 2.690 -6.048 -7.154 100 HG23 ILE 39 3HG2 ILE 39 1.818 -4.541 -7.258 101 HD11 ILE 39 3HD1 ILE 39 4.868 -6.448 -5.600 102 HD12 ILE 39 1HD1 ILE 39 4.622 -7.144 -7.226 103 HD13 ILE 39 2HD1 ILE 39 6.258 -6.868 -6.630 104 H LEU 40 H LEU 40 3.675 -1.152 -5.778 105 HA LEU 40 HA LEU 40 0.876 -0.641 -5.995 106 HB2 LEU 40 2HB LEU 40 3.243 0.960 -4.904 107 HB3 LEU 40 3HB LEU 40 1.611 1.600 -4.930 108 HG LEU 40 HG LEU 40 2.596 -0.925 -3.540 109 HD11 LEU 40 1HD1 LEU 40 1.466 1.670 -2.414 110 HD12 LEU 40 2HD1 LEU 40 3.188 1.256 -2.519 111 HD13 LEU 40 3HD1 LEU 40 2.121 0.298 -1.483 112 HD21 LEU 40 3HD2 LEU 40 0.303 -0.949 -2.425 113 HD22 LEU 40 1HD2 LEU 40 0.394 -1.539 -4.081 114 HD23 LEU 40 2HD2 LEU 40 -0.235 0.090 -3.771 115 H LYS 41 H LYS 41 3.544 0.899 -7.757 116 HA LYS 41 HA LYS 41 2.069 2.905 -9.099 117 HB2 LYS 41 2HB LYS 41 4.282 1.325 -10.417 118 HB3 LYS 41 3HB LYS 41 3.731 2.971 -10.789 119 HG2 LYS 41 2HG LYS 41 4.298 3.373 -8.231 120 HG3 LYS 41 3HG LYS 41 5.269 1.923 -8.468 121 HD2 LYS 41 2HD LYS 41 6.418 3.026 -10.386 122 HD3 LYS 41 3HD LYS 41 5.568 4.533 -9.981 123 HE2 LYS 41 2HE LYS 41 6.544 4.468 -7.691 124 HE3 LYS 41 3HE LYS 41 7.377 2.957 -8.085 125 HZ1 LYS 41 3HZ LYS 41 8.578 4.175 -9.836 126 HZ2 LYS 41 1HZ LYS 41 8.868 4.841 -8.359 127 HZ3 LYS 41 2HZ LYS 41 7.831 5.563 -9.443 128 H GLU 42 H GLU 42 2.277 -0.568 -9.836 129 HA GLU 42 HA GLU 42 0.956 -0.401 -12.327 130 HB2 GLU 42 2HB GLU 42 2.185 -2.311 -10.489 131 HB3 GLU 42 3HB GLU 42 1.441 -2.908 -11.819 132 HG2 GLU 42 2HG GLU 42 3.017 -1.858 -13.217 133 HG3 GLU 42 3HG GLU 42 3.732 -0.912 -11.915 134 H LYS 43 H LYS 43 0.173 -1.588 -9.044 135 HA LYS 43 HA LYS 43 -2.408 -2.441 -10.051 136 HB2 LYS 43 2HB LYS 43 -1.632 -2.130 -7.140 137 HB3 LYS 43 3HB LYS 43 -3.048 -2.915 -7.870 138 HG2 LYS 43 2HG LYS 43 -0.260 -3.957 -8.010 139 HG3 LYS 43 3HG LYS 43 -1.612 -4.583 -7.078 140 HD2 LYS 43 2HD LYS 43 -2.892 -5.142 -9.046 141 HD3 LYS 43 3HD LYS 43 -1.676 -4.399 -10.068 142 HE2 LYS 43 2HE LYS 43 -0.003 -6.115 -9.057 143 HE3 LYS 43 3HE LYS 43 -1.423 -6.906 -8.348 144 HZ1 LYS 43 3HZ LYS 43 -0.967 -7.988 -10.390 145 HZ2 LYS 43 1HZ LYS 43 -0.835 -6.559 -11.233 146 HZ3 LYS 43 2HZ LYS 43 -2.284 -7.062 -10.704 147 H PHE 44 H PHE 44 -1.042 0.503 -8.892 148 HA PHE 44 HA PHE 44 -3.663 1.731 -9.301 149 HB2 PHE 44 2HB PHE 44 -1.745 2.559 -7.074 150 HB3 PHE 44 3HB PHE 44 -3.362 3.189 -7.351 151 HD1 PHE 44 1HD PHE 44 -5.370 1.866 -6.882 152 HD2 PHE 44 2HD PHE 44 -1.445 0.376 -5.915 153 HE1 PHE 44 1HE PHE 44 -6.382 0.081 -5.491 154 HE2 PHE 44 2HE PHE 44 -2.458 -1.424 -4.548 155 HZ PHE 44 HZ PHE 44 -4.933 -1.567 -4.355 156 HA PRO 45 HA PRO 45 -0.774 4.230 -11.929 157 HB2 PRO 45 2HB PRO 45 -2.012 3.671 -14.348 158 HB3 PRO 45 3HB PRO 45 -0.627 2.756 -13.689 159 HG2 PRO 45 2HG PRO 45 -3.573 2.078 -13.446 160 HG3 PRO 45 3HG PRO 45 -2.231 1.005 -13.953 161 HD2 PRO 45 2HD PRO 45 -3.027 0.861 -11.443 162 HD3 PRO 45 3HD PRO 45 -1.337 0.983 -11.682 163 H ARG 46 H ARG 46 -4.299 3.902 -11.504 164 HA ARG 46 HA ARG 46 -4.733 6.582 -12.625 165 HB2 ARG 46 2HB ARG 46 -6.742 4.791 -11.222 166 HB3 ARG 46 3HB ARG 46 -7.045 6.148 -12.283 167 HG2 ARG 46 2HG ARG 46 -5.956 3.419 -13.052 168 HG3 ARG 46 3HG ARG 46 -7.500 4.133 -13.510 169 HD2 ARG 46 2HD ARG 46 -6.388 5.763 -14.937 170 HD3 ARG 46 3HD ARG 46 -4.794 5.224 -14.373 171 HE ARG 46 HE ARG 46 -6.163 2.979 -15.470 172 HH11 ARG 46 1HH1 ARG 46 -4.588 5.943 -16.546 173 HH12 ARG 46 2HH1 ARG 46 -4.272 5.254 -18.144 174 HH21 ARG 46 2HH2 ARG 46 -4.789 3.350 -18.651 175 HH22 ARG 46 1HH2 ARG 46 -5.555 2.205 -17.549 176 H ALA 47 H ALA 47 -3.549 5.584 -9.762 177 HA ALA 47 HA ALA 47 -4.875 7.239 -7.877 178 HB1 ALA 47 1HB ALA 47 -3.526 5.339 -7.195 179 HB2 ALA 47 2HB ALA 47 -2.049 6.110 -7.826 180 HB3 ALA 47 3HB ALA 47 -2.889 6.803 -6.448 181 H THR 48 H THR 48 -4.310 9.070 -6.836 182 HA THR 48 HA THR 48 -2.508 11.003 -8.273 183 HB THR 48 HB THR 48 -3.843 12.805 -7.368 184 HG1 THR 48 1HG THR 48 -5.562 12.441 -6.190 185 HG21 THR 48 1HG2 THR 48 -4.479 11.954 -9.606 186 HG22 THR 48 2HG2 THR 48 -5.880 12.552 -8.704 187 HG23 THR 48 3HG2 THR 48 -5.607 10.805 -8.851 188 H ALA 49 H ALA 49 -2.902 9.300 -5.219 189 HA ALA 49 HA ALA 49 -0.175 10.395 -4.775 190 HB1 ALA 49 1HB ALA 49 -2.135 9.899 -2.493 191 HB2 ALA 49 2HB ALA 49 -0.434 10.369 -2.350 192 HB3 ALA 49 3HB ALA 49 -1.594 11.498 -3.063 193 H ILE 50 H ILE 50 1.342 8.829 -4.331 194 HA ILE 50 HA ILE 50 0.598 6.278 -3.142 195 HB ILE 50 HB ILE 50 2.166 5.114 -4.942 196 HG12 ILE 50 2HG1 ILE 50 0.853 7.197 -6.739 197 HG13 ILE 50 3HG1 ILE 50 2.554 7.216 -6.266 198 HG21 ILE 50 1HG2 ILE 50 -0.155 4.487 -4.342 199 HG22 ILE 50 2HG2 ILE 50 -0.741 5.564 -5.633 200 HG23 ILE 50 3HG2 ILE 50 0.265 4.159 -6.023 201 HD11 ILE 50 3HD1 ILE 50 2.366 6.250 -8.467 202 HD12 ILE 50 1HD1 ILE 50 2.848 4.973 -7.332 203 HD13 ILE 50 2HD1 ILE 50 1.169 5.067 -7.922 204 H LYS 51 H LYS 51 1.894 5.981 -1.541 205 HA LYS 51 HA LYS 51 4.811 6.060 -1.862 206 HB2 LYS 51 2HB LYS 51 5.107 7.635 0.006 207 HB3 LYS 51 3HB LYS 51 4.484 8.315 -1.479 208 HG2 LYS 51 2HG LYS 51 2.115 8.070 -0.259 209 HG3 LYS 51 3HG LYS 51 3.133 7.917 1.191 210 HD2 LYS 51 2HD LYS 51 2.558 10.249 0.940 211 HD3 LYS 51 3HD LYS 51 4.266 10.044 0.512 212 HE2 LYS 51 2HE LYS 51 2.948 9.648 -1.937 213 HE3 LYS 51 3HE LYS 51 1.937 10.866 -1.169 214 HZ1 LYS 51 3HZ LYS 51 3.797 11.901 -2.418 215 HZ2 LYS 51 1HZ LYS 51 4.887 11.080 -1.513 216 HZ3 LYS 51 2HZ LYS 51 3.935 12.225 -0.812 217 H VAL 52 H VAL 52 5.974 5.271 -0.038 218 HA VAL 52 HA VAL 52 4.516 3.516 1.871 219 HB VAL 52 HB VAL 52 6.870 2.618 0.173 220 HG11 VAL 52 1HG1 VAL 52 6.716 1.334 2.221 221 HG12 VAL 52 2HG1 VAL 52 5.001 0.987 1.914 222 HG13 VAL 52 3HG1 VAL 52 6.264 0.331 0.852 223 HG21 VAL 52 3HG2 VAL 52 3.956 1.914 -0.321 224 HG22 VAL 52 1HG2 VAL 52 5.008 2.873 -1.395 225 HG23 VAL 52 2HG2 VAL 52 5.374 1.198 -1.144 226 H THR 53 H THR 53 5.666 3.024 3.792 227 HA THR 53 HA THR 53 8.509 3.966 3.973 228 HB THR 53 HB THR 53 6.354 4.733 6.001 229 HG1 THR 53 1HG THR 53 6.371 6.227 4.449 230 HG21 THR 53 1HG2 THR 53 9.358 5.083 6.050 231 HG22 THR 53 2HG2 THR 53 8.349 4.158 7.188 232 HG23 THR 53 3HG2 THR 53 8.202 5.908 7.144 233 H ASP 54 H ASP 54 9.718 2.375 4.743 234 HA ASP 54 HA ASP 54 8.568 0.054 6.183 235 HB2 ASP 54 2HB ASP 54 10.717 -0.065 4.703 236 HB3 ASP 54 3HB ASP 54 11.433 1.065 5.766 237 H ILE 55 H ILE 55 8.259 -0.145 8.201 238 HA ILE 55 HA ILE 55 9.478 1.730 10.165 239 HB ILE 55 HB ILE 55 7.342 1.887 11.358 240 HG12 ILE 55 2HG1 ILE 55 6.223 0.259 9.030 241 HG13 ILE 55 3HG1 ILE 55 6.109 0.036 10.708 242 HG21 ILE 55 1HG2 ILE 55 8.201 3.602 9.701 243 HG22 ILE 55 2HG2 ILE 55 7.041 2.921 8.527 244 HG23 ILE 55 3HG2 ILE 55 6.470 3.661 10.034 245 HD11 ILE 55 3HD1 ILE 55 3.962 0.807 9.797 246 HD12 ILE 55 1HD1 ILE 55 4.608 2.074 10.865 247 HD13 ILE 55 2HD1 ILE 55 4.726 2.239 9.095 248 H SER 56 H SER 56 10.382 -0.761 9.324 249 HA SER 56 HA SER 56 10.369 -2.344 11.807 250 HB2 SER 56 2HB SER 56 8.668 -3.348 10.549 251 HB3 SER 56 3HB SER 56 9.653 -3.402 9.105 252 HG SER 56 HG SER 56 10.459 -4.657 11.548 253 H GLY 57 H GLY 57 12.311 -0.890 11.785 254 HA2 GLY 57 2HA GLY 57 14.558 -0.899 10.361 255 HA3 GLY 57 3HA GLY 57 14.569 -1.028 12.103 256 H GLY 58 H GLY 58 13.640 -3.732 12.297 257 HA2 GLY 58 2HA GLY 58 16.274 -5.071 11.790 258 HA3 GLY 58 3HA GLY 58 15.071 -5.523 12.999 259 H CYS 59 H CYS 59 13.025 -5.292 10.534 260 HA CYS 59 HA CYS 59 13.657 -7.977 9.346 261 HB2 CYS 59 2HB CYS 59 12.177 -8.031 11.478 262 HB3 CYS 59 3HB CYS 59 10.938 -7.263 10.496 263 HG CYS 59 HG CYS 59 12.543 -10.130 9.988 264 H GLY 60 H GLY 60 12.029 -4.866 9.010 265 HA2 GLY 60 2HA GLY 60 10.663 -3.972 7.528 266 HA3 GLY 60 3HA GLY 60 11.391 -4.966 6.231 267 H ALA 61 H ALA 61 9.504 -5.773 9.156 268 HA ALA 61 HA ALA 61 7.529 -7.364 7.578 269 HB1 ALA 61 1HB ALA 61 8.563 -8.406 9.544 270 HB2 ALA 61 2HB ALA 61 7.980 -7.082 10.581 271 HB3 ALA 61 3HB ALA 61 6.824 -8.179 9.792 272 H MET 62 H MET 62 7.748 -4.321 9.298 273 HA MET 62 HA MET 62 4.849 -3.774 8.831 274 HB2 MET 62 2HB MET 62 6.852 -2.367 10.669 275 HB3 MET 62 3HB MET 62 5.220 -1.817 10.309 276 HG2 MET 62 2HG MET 62 4.207 -3.196 11.542 277 HG3 MET 62 3HG MET 62 5.316 -4.567 11.352 278 HE1 MET 62 3HE MET 62 8.165 -3.199 12.619 279 HE2 MET 62 1HE MET 62 7.900 -3.884 14.228 280 HE3 MET 62 2HE MET 62 7.495 -4.847 12.791 281 H TYR 63 H TYR 63 4.229 -2.300 7.454 282 HA TYR 63 HA TYR 63 6.077 -0.169 6.637 283 HB2 TYR 63 2HB TYR 63 4.449 -1.759 4.642 284 HB3 TYR 63 3HB TYR 63 5.221 -0.314 4.301 285 HD1 TYR 63 HD1 TYR 63 7.757 -0.246 3.929 286 HD2 TYR 63 HD2 TYR 63 5.676 -3.894 4.963 287 HE1 TYR 63 HE1 TYR 63 9.803 -1.539 3.532 288 HE2 TYR 63 HE2 TYR 63 7.713 -5.204 4.387 289 HH TYR 63 HH TYR 63 10.786 -3.566 3.619 290 H GLU 64 H GLU 64 5.155 1.696 6.224 291 HA GLU 64 HA GLU 64 2.274 2.226 6.638 292 HB2 GLU 64 2HB GLU 64 4.450 3.665 7.390 293 HB3 GLU 64 3HB GLU 64 4.300 4.271 5.747 294 HG2 GLU 64 2HG GLU 64 1.894 4.825 6.273 295 HG3 GLU 64 3HG GLU 64 2.202 4.305 7.926 296 H ILE 65 H ILE 65 0.906 2.613 4.820 297 HA ILE 65 HA ILE 65 2.181 3.186 2.182 298 HB ILE 65 HB ILE 65 -0.024 1.135 2.608 299 HG12 ILE 65 2HG1 ILE 65 2.767 0.800 1.413 300 HG13 ILE 65 3HG1 ILE 65 2.303 0.302 3.037 301 HG21 ILE 65 1HG2 ILE 65 0.052 0.893 0.100 302 HG22 ILE 65 2HG2 ILE 65 -0.489 2.472 0.603 303 HG23 ILE 65 3HG2 ILE 65 1.181 2.265 0.035 304 HD11 ILE 65 3HD1 ILE 65 1.265 -0.888 0.437 305 HD12 ILE 65 1HD1 ILE 65 2.303 -1.640 1.642 306 HD13 ILE 65 2HD1 ILE 65 0.614 -1.261 2.052 307 H LYS 66 H LYS 66 1.271 4.885 1.191 308 HA LYS 66 HA LYS 66 -1.487 5.778 1.981 309 HB2 LYS 66 2HB LYS 66 1.036 7.404 1.691 310 HB3 LYS 66 3HB LYS 66 -0.555 8.149 1.548 311 HG2 LYS 66 2HG LYS 66 -1.100 7.733 3.803 312 HG3 LYS 66 3HG LYS 66 0.162 6.513 4.004 313 HD2 LYS 66 2HD LYS 66 1.888 8.343 3.723 314 HD3 LYS 66 3HD LYS 66 0.554 9.521 3.675 315 HE2 LYS 66 2HE LYS 66 -0.199 8.643 5.927 316 HE3 LYS 66 3HE LYS 66 1.230 7.598 5.954 317 HZ1 LYS 66 3HZ LYS 66 2.614 9.601 5.871 318 HZ2 LYS 66 1HZ LYS 66 1.611 9.608 7.170 319 HZ3 LYS 66 2HZ LYS 66 1.264 10.561 5.861 320 H ILE 67 H ILE 67 -2.798 5.573 0.373 321 HA ILE 67 HA ILE 67 -1.881 6.075 -2.383 322 HB ILE 67 HB ILE 67 -3.957 4.039 -1.656 323 HG12 ILE 67 2HG1 ILE 67 -0.983 3.824 -1.628 324 HG13 ILE 67 3HG1 ILE 67 -2.217 3.018 -0.752 325 HG21 ILE 67 1HG2 ILE 67 -3.586 3.282 -4.002 326 HG22 ILE 67 2HG2 ILE 67 -4.204 4.902 -3.917 327 HG23 ILE 67 3HG2 ILE 67 -2.483 4.660 -4.235 328 HD11 ILE 67 3HD1 ILE 67 -2.635 1.568 -2.773 329 HD12 ILE 67 1HD1 ILE 67 -1.324 2.434 -3.612 330 HD13 ILE 67 2HD1 ILE 67 -0.961 1.496 -2.162 331 H GLU 68 H GLU 68 -3.567 7.042 -3.766 332 HA GLU 68 HA GLU 68 -6.277 7.592 -2.683 333 HB2 GLU 68 2HB GLU 68 -4.917 9.494 -1.918 334 HB3 GLU 68 3HB GLU 68 -4.214 9.621 -3.419 335 HG2 GLU 68 2HG GLU 68 -6.289 10.487 -4.444 336 HG3 GLU 68 3HG GLU 68 -7.212 10.078 -3.016 337 H SER 69 H SER 69 -7.695 7.189 -4.386 338 HA SER 69 HA SER 69 -6.848 7.674 -7.179 339 HB2 SER 69 2HB SER 69 -5.850 5.396 -6.471 340 HB3 SER 69 3HB SER 69 -7.479 4.864 -6.220 341 HG SER 69 HG SER 69 -6.922 4.289 -8.307 342 H GLU 70 H GLU 70 -8.340 7.553 -8.642 343 HA GLU 70 HA GLU 70 -10.934 8.401 -7.957 344 HB2 GLU 70 2HB GLU 70 -9.268 8.470 -10.107 345 HB3 GLU 70 3HB GLU 70 -10.293 7.160 -10.645 346 HG2 GLU 70 2HG GLU 70 -11.339 9.827 -9.657 347 HG3 GLU 70 3HG GLU 70 -10.780 9.617 -11.317 348 H GLU 71 H GLU 71 -9.679 5.190 -8.509 349 HA GLU 71 HA GLU 71 -12.140 3.802 -9.012 350 HB2 GLU 71 2HB GLU 71 -10.810 1.860 -9.003 351 HB3 GLU 71 3HB GLU 71 -9.780 3.141 -9.642 352 HG2 GLU 71 2HG GLU 71 -9.075 3.404 -7.072 353 HG3 GLU 71 3HG GLU 71 -9.700 1.777 -6.938 354 H PHE 72 H PHE 72 -10.886 5.027 -6.037 355 HA PHE 72 HA PHE 72 -11.961 2.870 -4.389 356 HB2 PHE 72 2HB PHE 72 -10.358 5.379 -3.964 357 HB3 PHE 72 3HB PHE 72 -11.014 4.578 -2.600 358 HD1 PHE 72 1HD PHE 72 -10.565 1.635 -3.297 359 HD2 PHE 72 2HD PHE 72 -8.096 5.149 -3.696 360 HE1 PHE 72 1HE PHE 72 -8.544 0.240 -3.028 361 HE2 PHE 72 2HE PHE 72 -6.075 3.751 -3.415 362 HZ PHE 72 HZ PHE 72 -6.290 1.313 -3.087 363 H LYS 73 H LYS 73 -13.832 5.152 -5.743 364 HA LYS 73 HA LYS 73 -15.033 6.298 -3.386 365 HB2 LYS 73 2HB LYS 73 -16.708 7.307 -4.968 366 HB3 LYS 73 3HB LYS 73 -15.037 7.757 -5.121 367 HG2 LYS 73 2HG LYS 73 -15.483 7.518 -7.312 368 HG3 LYS 73 3HG LYS 73 -14.971 5.869 -6.998 369 HD2 LYS 73 2HD LYS 73 -17.444 5.287 -6.673 370 HD3 LYS 73 3HD LYS 73 -17.819 6.931 -7.188 371 HE2 LYS 73 2HE LYS 73 -16.509 6.463 -9.329 372 HE3 LYS 73 3HE LYS 73 -16.367 4.780 -8.803 373 HZ1 LYS 73 3HZ LYS 73 -18.888 6.246 -9.299 374 HZ2 LYS 73 1HZ LYS 73 -18.823 4.693 -8.762 375 HZ3 LYS 73 2HZ LYS 73 -18.286 5.068 -10.270 376 H GLU 74 H GLU 74 -16.095 3.586 -5.372 377 HA GLU 74 HA GLU 74 -18.611 3.391 -3.883 378 HB2 GLU 74 2HB GLU 74 -18.201 3.009 -6.391 379 HB3 GLU 74 3HB GLU 74 -17.574 1.425 -5.935 380 HG2 GLU 74 2HG GLU 74 -19.766 0.809 -5.004 381 HG3 GLU 74 3HG GLU 74 -20.347 2.471 -5.191 382 H LYS 75 H LYS 75 -16.218 3.088 -2.278 383 HA LYS 75 HA LYS 75 -16.281 0.215 -1.449 384 HB2 LYS 75 2HB LYS 75 -13.850 1.984 -1.801 385 HB3 LYS 75 3HB LYS 75 -13.831 0.323 -1.221 386 HG2 LYS 75 2HG LYS 75 -14.717 1.221 -3.995 387 HG3 LYS 75 3HG LYS 75 -13.149 0.544 -3.593 388 HD2 LYS 75 2HD LYS 75 -13.970 -1.610 -3.233 389 HD3 LYS 75 3HD LYS 75 -15.639 -1.075 -2.959 390 HE2 LYS 75 2HE LYS 75 -15.758 -0.278 -5.307 391 HE3 LYS 75 3HE LYS 75 -14.173 -1.026 -5.608 392 HZ1 LYS 75 3HZ LYS 75 -15.884 -2.576 -6.246 393 HZ2 LYS 75 1HZ LYS 75 -16.696 -2.386 -4.846 394 HZ3 LYS 75 2HZ LYS 75 -15.270 -3.161 -4.825 395 H ARG 76 H ARG 76 -16.467 -0.273 0.591 396 HA ARG 76 HA ARG 76 -16.454 1.570 2.761 397 HB2 ARG 76 2HB ARG 76 -15.823 -1.372 3.029 398 HB3 ARG 76 3HB ARG 76 -16.647 -0.286 4.031 399 HG2 ARG 76 2HG ARG 76 -18.487 -0.083 2.203 400 HG3 ARG 76 3HG ARG 76 -17.813 -1.624 1.630 401 HD2 ARG 76 2HD ARG 76 -18.338 -2.685 3.769 402 HD3 ARG 76 3HD ARG 76 -18.757 -1.120 4.465 403 HE ARG 76 HE ARG 76 -20.804 -1.099 3.428 404 HH11 ARG 76 1HH1 ARG 76 -19.131 -4.012 2.277 405 HH12 ARG 76 2HH1 ARG 76 -20.589 -4.615 1.542 406 HH21 ARG 76 2HH2 ARG 76 -22.448 -3.548 1.676 407 HH22 ARG 76 1HH2 ARG 76 -22.576 -1.962 2.398 408 H THR 77 H THR 77 -14.895 1.258 4.605 409 HA THR 77 HA THR 77 -12.230 1.798 3.996 410 HB THR 77 HB THR 77 -13.315 0.344 6.402 411 HG1 THR 77 1HG THR 77 -13.217 3.097 5.778 412 HG21 THR 77 1HG2 THR 77 -10.875 2.176 6.017 413 HG22 THR 77 2HG2 THR 77 -10.860 0.467 6.488 414 HG23 THR 77 3HG2 THR 77 -11.473 1.684 7.613 415 H VAL 78 H VAL 78 -13.485 -1.367 5.040 416 HA VAL 78 HA VAL 78 -11.051 -2.797 4.583 417 HB VAL 78 HB VAL 78 -12.952 -3.557 5.961 418 HG11 VAL 78 1HG1 VAL 78 -14.962 -4.435 5.060 419 HG12 VAL 78 2HG1 VAL 78 -14.718 -2.867 4.264 420 HG13 VAL 78 3HG1 VAL 78 -14.355 -4.370 3.392 421 HG21 VAL 78 3HG2 VAL 78 -12.179 -5.539 3.785 422 HG22 VAL 78 1HG2 VAL 78 -11.252 -5.176 5.256 423 HG23 VAL 78 2HG2 VAL 78 -12.853 -5.928 5.381 424 H GLN 79 H GLN 79 -13.747 -2.002 2.353 425 HA GLN 79 HA GLN 79 -12.671 -3.721 0.277 426 HB2 GLN 79 2HB GLN 79 -14.787 -1.560 -0.026 427 HB3 GLN 79 3HB GLN 79 -14.356 -2.818 -1.189 428 HG2 GLN 79 2HG GLN 79 -14.890 -4.395 0.919 429 HG3 GLN 79 3HG GLN 79 -15.949 -3.055 1.322 430 HE21 GLN 79 2HE2 GLN 79 -18.104 -3.775 -1.530 431 HE22 GLN 79 1HE2 GLN 79 -17.660 -2.439 -0.493 432 H GLN 80 H GLN 80 -11.962 -0.415 1.153 433 HA GLN 80 HA GLN 80 -10.419 0.085 -1.306 434 HB2 GLN 80 2HB GLN 80 -10.346 1.421 1.430 435 HB3 GLN 80 3HB GLN 80 -9.406 1.914 0.017 436 HG2 GLN 80 2HG GLN 80 -11.486 2.422 -1.219 437 HG3 GLN 80 3HG GLN 80 -12.444 1.954 0.178 438 HE21 GLN 80 2HE2 GLN 80 -12.067 5.648 0.377 439 HE22 GLN 80 1HE2 GLN 80 -12.784 4.556 -0.822 440 H HIS 81 H HIS 81 -9.590 -0.732 2.123 441 HA HIS 81 HA HIS 81 -6.815 -0.992 1.760 442 HB2 HIS 81 2HB HIS 81 -8.705 -2.328 3.725 443 HB3 HIS 81 3HB HIS 81 -6.951 -2.443 3.818 444 HD1 HIS 81 1HD HIS 81 -8.948 -0.914 5.964 445 HD2 HIS 81 2HD HIS 81 -6.322 0.723 3.118 446 HE1 HIS 81 1HE HIS 81 -8.268 1.392 6.833 447 H GLN 82 H GLN 82 -9.208 -3.712 1.522 448 HA GLN 82 HA GLN 82 -7.547 -5.854 1.071 449 HB2 GLN 82 2HB GLN 82 -9.868 -6.155 1.275 450 HB3 GLN 82 3HB GLN 82 -10.215 -5.095 -0.088 451 HG2 GLN 82 2HG GLN 82 -10.618 -7.383 -0.681 452 HG3 GLN 82 3HG GLN 82 -9.345 -6.720 -1.678 453 HE21 GLN 82 2HE2 GLN 82 -8.392 -10.155 -0.930 454 HE22 GLN 82 1HE2 GLN 82 -9.195 -9.103 -2.098 455 H MET 83 H MET 83 -8.433 -3.408 -1.439 456 HA MET 83 HA MET 83 -7.201 -4.803 -3.624 457 HB2 MET 83 2HB MET 83 -7.505 -1.791 -3.348 458 HB3 MET 83 3HB MET 83 -7.366 -2.716 -4.833 459 HG2 MET 83 2HG MET 83 -9.571 -3.868 -3.635 460 HG3 MET 83 3HG MET 83 -9.722 -2.197 -3.125 461 HE1 MET 83 3HE MET 83 -10.089 -0.325 -6.538 462 HE2 MET 83 1HE MET 83 -10.238 -0.189 -4.780 463 HE3 MET 83 2HE MET 83 -8.645 -0.502 -5.527 464 H VAL 84 H VAL 84 -5.971 -2.425 -1.324 465 HA VAL 84 HA VAL 84 -3.324 -2.106 -2.517 466 HB VAL 84 HB VAL 84 -4.150 -1.412 0.315 467 HG11 VAL 84 1HG1 VAL 84 -2.111 -0.335 -1.625 468 HG12 VAL 84 2HG1 VAL 84 -2.639 0.638 -0.234 469 HG13 VAL 84 3HG1 VAL 84 -1.842 -0.948 0.005 470 HG21 VAL 84 3HG2 VAL 84 -4.661 0.265 -2.140 471 HG22 VAL 84 1HG2 VAL 84 -5.901 -0.450 -1.067 472 HG23 VAL 84 2HG2 VAL 84 -4.846 0.800 -0.451 473 H ASN 85 H ASN 85 -4.816 -4.337 -0.335 474 HA ASN 85 HA ASN 85 -2.400 -5.265 1.062 475 HB2 ASN 85 2HB ASN 85 -5.356 -5.876 1.026 476 HB3 ASN 85 3HB ASN 85 -4.261 -7.142 1.591 477 HD21 ASN 85 2HD2 ASN 85 -4.785 -3.821 3.890 478 HD22 ASN 85 1HD2 ASN 85 -5.044 -3.704 2.146 479 H GLN 86 H GLN 86 -4.630 -6.500 -1.520 480 HA GLN 86 HA GLN 86 -3.144 -8.867 -2.094 481 HB2 GLN 86 2HB GLN 86 -5.392 -7.177 -3.212 482 HB3 GLN 86 3HB GLN 86 -4.561 -8.152 -4.354 483 HG2 GLN 86 2HG GLN 86 -5.909 -9.119 -1.810 484 HG3 GLN 86 3HG GLN 86 -6.523 -9.336 -3.445 485 HE21 GLN 86 2HE2 GLN 86 -4.497 -12.355 -2.071 486 HE22 GLN 86 1HE2 GLN 86 -5.508 -11.227 -1.147 487 H ALA 87 H ALA 87 -2.587 -5.548 -3.101 488 HA ALA 87 HA ALA 87 -1.334 -5.982 -5.584 489 HB1 ALA 87 1HB ALA 87 -0.863 -3.835 -3.450 490 HB2 ALA 87 2HB ALA 87 -0.378 -3.716 -5.152 491 HB3 ALA 87 3HB ALA 87 -2.103 -3.791 -4.727 492 H LEU 88 H LEU 88 0.018 -6.100 -2.320 493 HA LEU 88 HA LEU 88 2.576 -7.121 -3.476 494 HB2 LEU 88 2HB LEU 88 3.862 -6.016 -2.002 495 HB3 LEU 88 3HB LEU 88 2.760 -4.852 -2.705 496 HG LEU 88 HG LEU 88 3.011 -4.164 -0.506 497 HD11 LEU 88 1HD1 LEU 88 0.642 -4.191 -1.106 498 HD12 LEU 88 2HD1 LEU 88 0.911 -4.357 0.633 499 HD13 LEU 88 3HD1 LEU 88 0.472 -5.783 -0.323 500 HD21 LEU 88 3HD2 LEU 88 4.121 -6.204 0.297 501 HD22 LEU 88 1HD2 LEU 88 2.515 -6.911 0.616 502 HD23 LEU 88 2HD2 LEU 88 3.028 -5.447 1.469 503 H LYS 89 H LYS 89 0.006 -8.291 -1.959 504 HA LYS 89 HA LYS 89 0.882 -9.713 0.324 505 HB2 LYS 89 2HB LYS 89 -1.426 -9.551 -0.230 506 HB3 LYS 89 3HB LYS 89 -1.220 -10.337 -1.793 507 HG2 LYS 89 2HG LYS 89 -1.033 -12.431 -0.918 508 HG3 LYS 89 3HG LYS 89 -0.314 -11.909 0.593 509 HD2 LYS 89 2HD LYS 89 -3.218 -11.541 -0.169 510 HD3 LYS 89 3HD LYS 89 -2.591 -12.830 0.869 511 HE2 LYS 89 2HE LYS 89 -1.856 -11.155 2.525 512 HE3 LYS 89 3HE LYS 89 -2.412 -9.842 1.477 513 HZ1 LYS 89 3HZ LYS 89 -4.687 -10.744 1.684 514 HZ2 LYS 89 1HZ LYS 89 -4.101 -10.425 3.183 515 HZ3 LYS 89 2HZ LYS 89 -4.142 -11.962 2.624 516 H GLU 90 H GLU 90 1.346 -10.521 -3.118 517 HA GLU 90 HA GLU 90 2.273 -13.169 -2.401 518 HB2 GLU 90 2HB GLU 90 1.468 -11.660 -4.858 519 HB3 GLU 90 3HB GLU 90 2.605 -12.962 -5.065 520 HG2 GLU 90 2HG GLU 90 1.061 -14.525 -3.933 521 HG3 GLU 90 3HG GLU 90 -0.045 -13.200 -3.573 522 H GLU 91 H GLU 91 3.669 -10.136 -2.485 523 HA GLU 91 HA GLU 91 6.479 -11.069 -2.831 524 HB2 GLU 91 2HB GLU 91 4.996 -8.448 -2.828 525 HB3 GLU 91 3HB GLU 91 6.605 -8.447 -2.148 526 HG2 GLU 91 2HG GLU 91 6.412 -7.795 -4.531 527 HG3 GLU 91 3HG GLU 91 7.621 -9.004 -4.158 528 H ILE 92 H ILE 92 4.367 -9.457 -0.416 529 HA ILE 92 HA ILE 92 5.697 -10.790 1.861 530 HB ILE 92 HB ILE 92 5.411 -7.761 1.662 531 HG12 ILE 92 2HG1 ILE 92 7.845 -9.572 1.619 532 HG13 ILE 92 3HG1 ILE 92 7.331 -8.415 0.387 533 HG21 ILE 92 1HG2 ILE 92 6.468 -9.487 3.951 534 HG22 ILE 92 2HG2 ILE 92 6.374 -7.710 3.922 535 HG23 ILE 92 3HG2 ILE 92 4.901 -8.636 3.932 536 HD11 ILE 92 3HD1 ILE 92 7.755 -6.559 2.019 537 HD12 ILE 92 1HD1 ILE 92 8.485 -7.776 3.103 538 HD13 ILE 92 2HD1 ILE 92 9.195 -7.471 1.507 539 H LYS 93 H LYS 93 3.828 -11.832 2.654 540 HA LYS 93 HA LYS 93 1.259 -10.593 2.320 541 HB2 LYS 93 2HB LYS 93 0.443 -12.612 3.167 542 HB3 LYS 93 3HB LYS 93 1.667 -13.002 1.980 543 HG2 LYS 93 2HG LYS 93 3.221 -13.664 3.741 544 HG3 LYS 93 3HG LYS 93 2.154 -13.041 4.999 545 HD2 LYS 93 2HD LYS 93 1.377 -15.312 3.121 546 HD3 LYS 93 3HD LYS 93 2.123 -15.563 4.709 547 HE2 LYS 93 2HE LYS 93 0.274 -14.429 5.838 548 HE3 LYS 93 3HE LYS 93 -0.458 -13.994 4.293 549 HZ1 LYS 93 3HZ LYS 93 -0.226 -16.730 5.388 550 HZ2 LYS 93 1HZ LYS 93 -0.733 -16.391 3.842 551 HZ3 LYS 93 2HZ LYS 93 -1.589 -15.846 5.106 552 H GLU 94 H GLU 94 3.299 -9.967 4.683 553 HA GLU 94 HA GLU 94 2.097 -10.467 7.077 554 HB2 GLU 94 2HB GLU 94 4.303 -8.618 6.223 555 HB3 GLU 94 3HB GLU 94 4.063 -9.250 7.825 556 HG2 GLU 94 2HG GLU 94 4.690 -11.011 5.434 557 HG3 GLU 94 3HG GLU 94 5.872 -10.376 6.563 558 H MET 95 H MET 95 -0.025 -9.041 5.972 559 HA MET 95 HA MET 95 0.143 -6.287 6.791 560 HB2 MET 95 2HB MET 95 -2.268 -7.872 5.875 561 HB3 MET 95 3HB MET 95 -2.256 -6.139 6.216 562 HG2 MET 95 2HG MET 95 -1.677 -5.888 4.059 563 HG3 MET 95 3HG MET 95 -0.069 -6.262 4.619 564 HE1 MET 95 3HE MET 95 1.072 -7.144 2.575 565 HE2 MET 95 1HE MET 95 0.177 -7.954 1.274 566 HE3 MET 95 2HE MET 95 -0.333 -6.350 1.824 567 H HIS 96 H HIS 96 -0.013 -8.817 8.854 568 HA HIS 96 HA HIS 96 -1.221 -7.409 11.071 569 HB2 HIS 96 2HB HIS 96 -0.072 -8.951 12.478 570 HB3 HIS 96 3HB HIS 96 -0.834 -9.801 11.150 571 HD1 HIS 96 1HD HIS 96 0.797 -11.287 9.629 572 HD2 HIS 96 2HD HIS 96 2.663 -8.885 12.541 573 HE1 HIS 96 1HE HIS 96 3.162 -12.168 9.870 574 H GLY 97 H GLY 97 1.639 -6.789 9.291 575 HA2 GLY 97 2HA GLY 97 2.650 -4.864 11.348 576 HA3 GLY 97 3HA GLY 97 3.540 -5.497 9.970 577 H LEU 98 H LEU 98 1.190 -4.997 8.182 578 HA LEU 98 HA LEU 98 2.037 -2.322 7.349 579 HB2 LEU 98 2HB LEU 98 0.266 -4.340 6.040 580 HB3 LEU 98 3HB LEU 98 0.412 -2.676 5.499 581 HG LEU 98 HG LEU 98 2.990 -3.003 5.667 582 HD11 LEU 98 1HD1 LEU 98 2.199 -5.911 5.421 583 HD12 LEU 98 2HD1 LEU 98 3.147 -5.162 6.736 584 HD13 LEU 98 3HD1 LEU 98 3.806 -5.222 5.110 585 HD21 LEU 98 3HD2 LEU 98 1.759 -2.614 3.695 586 HD22 LEU 98 1HD2 LEU 98 1.382 -4.358 3.518 587 HD23 LEU 98 2HD2 LEU 98 3.070 -3.769 3.398 588 H ARG 99 H ARG 99 1.118 -0.507 7.225 589 HA ARG 99 HA ARG 99 -1.522 0.056 8.568 590 HB2 ARG 99 2HB ARG 99 0.580 0.561 9.900 591 HB3 ARG 99 3HB ARG 99 0.928 1.813 8.698 592 HG2 ARG 99 2HG ARG 99 -1.456 2.704 9.164 593 HG3 ARG 99 3HG ARG 99 -1.522 1.552 10.507 594 HD2 ARG 99 2HD ARG 99 0.543 2.600 11.452 595 HD3 ARG 99 3HD ARG 99 0.517 3.741 10.098 596 HE ARG 99 HE ARG 99 -1.964 4.126 11.094 597 HH11 ARG 99 1HH1 ARG 99 1.029 4.084 12.983 598 HH12 ARG 99 2HH1 ARG 99 0.292 5.060 14.234 599 HH21 ARG 99 2HH2 ARG 99 -1.845 5.668 14.053 600 HH22 ARG 99 1HH2 ARG 99 -2.770 5.191 12.624 601 H ILE 100 H ILE 100 -2.798 0.363 6.822 602 HA ILE 100 HA ILE 100 -1.836 2.152 4.626 603 HB ILE 100 HB ILE 100 -4.137 0.179 4.371 604 HG12 ILE 100 2HG1 ILE 100 -1.190 -0.464 4.073 605 HG13 ILE 100 3HG1 ILE 100 -2.420 -1.211 5.116 606 HG21 ILE 100 1HG2 ILE 100 -4.019 1.820 2.574 607 HG22 ILE 100 2HG2 ILE 100 -2.302 1.443 2.303 608 HG23 ILE 100 3HG2 ILE 100 -3.585 0.261 1.970 609 HD11 ILE 100 3HD1 ILE 100 -2.151 -2.774 3.427 610 HD12 ILE 100 1HD1 ILE 100 -3.644 -1.885 3.018 611 HD13 ILE 100 2HD1 ILE 100 -2.126 -1.547 2.150 612 H PHE 101 H PHE 101 -2.807 3.478 3.608 613 HA PHE 101 HA PHE 101 -5.080 4.996 4.806 614 HB2 PHE 101 2HB PHE 101 -2.280 5.729 3.874 615 HB3 PHE 101 3HB PHE 101 -3.476 6.891 4.243 616 HD1 PHE 101 1HD PHE 101 -1.126 4.432 5.573 617 HD2 PHE 101 2HD PHE 101 -4.061 7.410 6.615 618 HE1 PHE 101 1HE PHE 101 -0.299 4.413 7.871 619 HE2 PHE 101 2HE PHE 101 -3.184 7.439 8.937 620 HZ PHE 101 HZ PHE 101 -1.295 5.963 9.579 621 H THR 102 H THR 102 -6.629 5.153 3.226 622 HA THR 102 HA THR 102 -5.882 5.643 0.319 623 HB THR 102 HB THR 102 -8.050 4.333 -0.118 624 HG1 THR 102 1HG THR 102 -8.942 3.726 1.667 625 HG21 THR 102 1HG2 THR 102 -6.896 2.135 -0.126 626 HG22 THR 102 2HG2 THR 102 -5.596 2.820 0.879 627 HG23 THR 102 3HG2 THR 102 -5.877 3.429 -0.769 628 H SER 103 H SER 103 -7.067 6.920 -0.789 629 HA SER 103 HA SER 103 -9.613 7.978 0.192 630 HB2 SER 103 2HB SER 103 -8.687 10.337 -0.387 631 HB3 SER 103 3HB SER 103 -8.330 9.650 1.181 632 HG SER 103 HG SER 103 -6.680 10.618 -0.597 633 H VAL 104 H VAL 104 -10.372 9.734 -1.532 634 HA VAL 104 HA VAL 104 -9.636 8.845 -4.271 635 HB VAL 104 HB VAL 104 -11.314 7.283 -3.685 636 HG11 VAL 104 1HG1 VAL 104 -13.212 9.539 -3.058 637 HG12 VAL 104 2HG1 VAL 104 -13.576 7.804 -3.129 638 HG13 VAL 104 3HG1 VAL 104 -12.493 8.402 -1.875 639 HG21 VAL 104 3HG2 VAL 104 -12.721 9.324 -5.436 640 HG22 VAL 104 1HG2 VAL 104 -11.377 8.298 -5.953 641 HG23 VAL 104 2HG2 VAL 104 -12.857 7.541 -5.453 642 HA PRO 105 HA PRO 105 -10.492 13.144 -4.947 643 HB2 PRO 105 2HB PRO 105 -9.697 13.373 -7.552 644 HB3 PRO 105 3HB PRO 105 -8.555 13.067 -6.213 645 HG2 PRO 105 2HG PRO 105 -9.760 11.051 -8.137 646 HG3 PRO 105 3HG PRO 105 -8.055 11.184 -7.619 647 HD2 PRO 105 2HD PRO 105 -9.796 9.464 -6.483 648 HD3 PRO 105 3HD PRO 105 -8.429 10.166 -5.616 649 H LYS 106 H LYS 106 -12.478 13.520 -4.747 650 HA LYS 106 HA LYS 106 -14.507 12.702 -6.767 651 HB2 LYS 106 2HB LYS 106 -13.941 11.597 -4.232 652 HB3 LYS 106 3HB LYS 106 -15.284 12.629 -3.901 653 HG2 LYS 106 2HG LYS 106 -15.085 10.362 -5.926 654 HG3 LYS 106 3HG LYS 106 -15.927 10.303 -4.396 655 HD2 LYS 106 2HD LYS 106 -17.668 11.762 -5.158 656 HD3 LYS 106 3HD LYS 106 -16.813 12.169 -6.648 657 HE2 LYS 106 2HE LYS 106 -17.543 9.279 -6.034 658 HE3 LYS 106 3HE LYS 106 -18.749 10.390 -6.686 659 HZ1 LYS 106 3HZ LYS 106 -16.148 9.860 -8.036 660 HZ2 LYS 106 1HZ LYS 106 -17.351 10.800 -8.584 661 HZ3 LYS 106 2HZ LYS 106 -17.611 9.206 -8.482 662 H ARG 107 H ARG 107 -13.342 15.308 -6.404 663 HA ARG 107 HA ARG 107 -15.476 17.059 -5.357 664 HB2 ARG 107 2HB ARG 107 -13.126 17.706 -5.067 665 HB3 ARG 107 3HB ARG 107 -12.899 17.766 -6.821 666 HG2 ARG 107 2HG ARG 107 -14.445 19.652 -7.005 667 HG3 ARG 107 3HG ARG 107 -14.881 19.511 -5.294 668 HD2 ARG 107 2HD ARG 107 -12.603 20.104 -4.621 669 HD3 ARG 107 3HD ARG 107 -12.093 20.185 -6.315 670 HE ARG 107 HE ARG 107 -13.752 22.088 -6.581 671 HH11 ARG 107 1HH1 ARG 107 -12.060 21.758 -3.463 672 HH12 ARG 107 2HH1 ARG 107 -12.615 23.359 -3.034 673 HH21 ARG 107 2HH2 ARG 107 -13.618 24.592 -4.296 674 HH22 ARG 107 1HH2 ARG 107 -14.050 24.101 -5.940 Start of MODEL 18 1 H1 ALA 27 H1 ALA 27 12.165 7.889 9.965 2 H2 ALA 27 H2 ALA 27 11.831 6.515 10.790 3 H3 ALA 27 H3 ALA 27 10.599 7.502 10.337 4 HA ALA 27 HA ALA 27 10.595 5.615 8.944 5 HB1 ALA 27 1HB ALA 27 11.667 8.053 7.455 6 HB2 ALA 27 2HB ALA 27 10.791 6.715 6.734 7 HB3 ALA 27 3HB ALA 27 9.966 7.775 7.896 8 H THR 28 H THR 28 11.627 4.123 7.548 9 HA THR 28 HA THR 28 14.516 4.440 6.985 10 HB THR 28 HB THR 28 14.899 3.222 8.791 11 HG1 THR 28 1HG THR 28 14.208 0.972 7.280 12 HG21 THR 28 1HG2 THR 28 12.365 1.594 8.546 13 HG22 THR 28 2HG2 THR 28 12.736 2.832 9.752 14 HG23 THR 28 3HG2 THR 28 13.648 1.325 9.736 15 H GLN 29 H GLN 29 15.085 2.251 5.604 16 HA GLN 29 HA GLN 29 12.983 1.651 3.643 17 HB2 GLN 29 2HB GLN 29 15.196 3.373 2.924 18 HB3 GLN 29 3HB GLN 29 15.268 1.844 1.999 19 HG2 GLN 29 2HG GLN 29 13.090 2.033 1.205 20 HG3 GLN 29 3HG GLN 29 12.669 3.340 2.301 21 HE21 GLN 29 2HE2 GLN 29 12.909 4.989 -0.838 22 HE22 GLN 29 1HE2 GLN 29 11.878 3.879 0.093 23 H THR 30 H THR 30 12.959 -0.385 3.148 24 HA THR 30 HA THR 30 15.318 -2.174 3.458 25 HB THR 30 HB THR 30 13.698 -4.014 3.095 26 HG1 THR 30 1HG THR 30 11.483 -3.392 3.331 27 HG21 THR 30 1HG2 THR 30 14.201 -3.276 5.454 28 HG22 THR 30 2HG2 THR 30 12.619 -4.031 5.215 29 HG23 THR 30 3HG2 THR 30 12.736 -2.279 5.381 30 H GLU 31 H GLU 31 15.174 -3.942 1.504 31 HA GLU 31 HA GLU 31 14.864 -2.582 -1.103 32 HB2 GLU 31 2HB GLU 31 15.536 -5.409 -0.220 33 HB3 GLU 31 3HB GLU 31 15.174 -4.996 -1.891 34 HG2 GLU 31 2HG GLU 31 16.969 -3.223 -1.805 35 HG3 GLU 31 3HG GLU 31 17.401 -3.801 -0.194 36 H GLY 32 H GLY 32 12.845 -4.485 1.097 37 HA2 GLY 32 2HA GLY 32 10.704 -5.190 -0.612 38 HA3 GLY 32 3HA GLY 32 10.633 -4.903 1.124 39 H GLU 33 H GLU 33 11.255 -2.165 1.290 40 HA GLU 33 HA GLU 33 8.925 -0.811 0.882 41 HB2 GLU 33 2HB GLU 33 11.330 -0.346 2.011 42 HB3 GLU 33 3HB GLU 33 11.595 0.600 0.573 43 HG2 GLU 33 2HG GLU 33 9.064 0.984 2.126 44 HG3 GLU 33 3HG GLU 33 10.558 1.475 2.890 45 H LEU 34 H LEU 34 11.630 -1.003 -1.367 46 HA LEU 34 HA LEU 34 10.618 0.787 -3.398 47 HB2 LEU 34 2HB LEU 34 12.718 -1.374 -3.735 48 HB3 LEU 34 3HB LEU 34 12.595 0.171 -4.567 49 HG LEU 34 HG LEU 34 13.350 -0.266 -1.642 50 HD11 LEU 34 1HD1 LEU 34 14.988 0.556 -4.084 51 HD12 LEU 34 2HD1 LEU 34 15.099 -0.985 -3.209 52 HD13 LEU 34 3HD1 LEU 34 15.586 0.530 -2.419 53 HD21 LEU 34 3HD2 LEU 34 13.281 2.306 -3.282 54 HD22 LEU 34 1HD2 LEU 34 14.018 2.136 -1.678 55 HD23 LEU 34 2HD2 LEU 34 12.276 1.913 -1.865 56 H ARG 35 H ARG 35 10.955 -2.712 -3.074 57 HA ARG 35 HA ARG 35 9.780 -3.644 -5.511 58 HB2 ARG 35 2HB ARG 35 11.004 -5.088 -3.953 59 HB3 ARG 35 3HB ARG 35 9.819 -4.815 -2.699 60 HG2 ARG 35 2HG ARG 35 8.651 -6.539 -3.359 61 HG3 ARG 35 3HG ARG 35 8.307 -5.802 -4.901 62 HD2 ARG 35 2HD ARG 35 9.327 -7.785 -5.542 63 HD3 ARG 35 3HD ARG 35 10.684 -6.671 -5.633 64 HE ARG 35 HE ARG 35 10.104 -8.634 -3.430 65 HH11 ARG 35 1HH1 ARG 35 12.679 -7.048 -5.263 66 HH12 ARG 35 2HH1 ARG 35 13.865 -7.505 -4.073 67 HH21 ARG 35 2HH2 ARG 35 13.285 -8.608 -2.208 68 HH22 ARG 35 1HH2 ARG 35 11.619 -9.081 -1.990 69 H VAL 36 H VAL 36 8.286 -2.935 -2.380 70 HA VAL 36 HA VAL 36 5.606 -3.663 -3.043 71 HB VAL 36 HB VAL 36 6.835 -1.888 -0.891 72 HG11 VAL 36 1HG1 VAL 36 4.671 -0.879 -1.182 73 HG12 VAL 36 2HG1 VAL 36 3.881 -2.459 -1.330 74 HG13 VAL 36 3HG1 VAL 36 4.574 -1.933 0.225 75 HG21 VAL 36 3HG2 VAL 36 7.074 -4.409 -0.761 76 HG22 VAL 36 1HG2 VAL 36 6.192 -3.695 0.597 77 HG23 VAL 36 2HG2 VAL 36 5.318 -4.520 -0.707 78 H THR 37 H THR 37 7.342 -0.482 -2.847 79 HA THR 37 HA THR 37 5.322 1.191 -3.792 80 HB THR 37 HB THR 37 8.270 1.390 -4.334 81 HG1 THR 37 1HG THR 37 7.929 1.494 -2.176 82 HG21 THR 37 1HG2 THR 37 7.251 2.919 -5.872 83 HG22 THR 37 2HG2 THR 37 7.874 3.877 -4.535 84 HG23 THR 37 3HG2 THR 37 6.132 3.508 -4.621 85 H GLN 38 H GLN 38 7.642 -0.677 -5.704 86 HA GLN 38 HA GLN 38 6.778 0.388 -8.226 87 HB2 GLN 38 2HB GLN 38 8.544 -1.838 -7.370 88 HB3 GLN 38 3HB GLN 38 7.752 -2.079 -8.921 89 HG2 GLN 38 2HG GLN 38 9.704 -1.077 -9.511 90 HG3 GLN 38 3HG GLN 38 8.597 0.274 -9.393 91 HE21 GLN 38 2HE2 GLN 38 10.400 1.815 -6.707 92 HE22 GLN 38 1HE2 GLN 38 9.003 1.934 -7.786 93 H ILE 39 H ILE 39 5.559 -2.521 -6.444 94 HA ILE 39 HA ILE 39 3.799 -3.177 -8.700 95 HB ILE 39 HB ILE 39 3.493 -4.208 -5.867 96 HG12 ILE 39 2HG1 ILE 39 4.980 -5.538 -8.181 97 HG13 ILE 39 3HG1 ILE 39 5.775 -4.701 -6.853 98 HG21 ILE 39 1HG2 ILE 39 1.513 -4.565 -7.198 99 HG22 ILE 39 2HG2 ILE 39 2.459 -5.034 -8.632 100 HG23 ILE 39 3HG2 ILE 39 2.358 -6.100 -7.231 101 HD11 ILE 39 3HD1 ILE 39 4.710 -6.270 -5.230 102 HD12 ILE 39 1HD1 ILE 39 4.128 -7.225 -6.617 103 HD13 ILE 39 2HD1 ILE 39 5.862 -7.014 -6.358 104 H LEU 40 H LEU 40 3.516 -1.244 -5.730 105 HA LEU 40 HA LEU 40 0.744 -0.685 -5.836 106 HB2 LEU 40 2HB LEU 40 3.123 1.023 -4.912 107 HB3 LEU 40 3HB LEU 40 1.456 1.578 -4.852 108 HG LEU 40 HG LEU 40 2.697 -0.774 -3.403 109 HD11 LEU 40 1HD1 LEU 40 3.109 1.530 -2.561 110 HD12 LEU 40 2HD1 LEU 40 2.213 0.521 -1.417 111 HD13 LEU 40 3HD1 LEU 40 1.359 1.754 -2.379 112 HD21 LEU 40 3HD2 LEU 40 -0.227 -0.024 -3.570 113 HD22 LEU 40 1HD2 LEU 40 0.458 -0.953 -2.210 114 HD23 LEU 40 2HD2 LEU 40 0.537 -1.601 -3.845 115 H LYS 41 H LYS 41 3.318 1.002 -7.701 116 HA LYS 41 HA LYS 41 1.522 2.872 -8.872 117 HB2 LYS 41 2HB LYS 41 4.084 1.914 -10.168 118 HB3 LYS 41 3HB LYS 41 3.196 3.427 -10.462 119 HG2 LYS 41 2HG LYS 41 3.442 3.547 -7.763 120 HG3 LYS 41 3HG LYS 41 4.857 2.590 -8.151 121 HD2 LYS 41 2HD LYS 41 5.616 4.407 -9.721 122 HD3 LYS 41 3HD LYS 41 4.222 5.374 -9.198 123 HE2 LYS 41 2HE LYS 41 5.070 4.940 -6.770 124 HE3 LYS 41 3HE LYS 41 6.545 4.338 -7.523 125 HZ1 LYS 41 3HZ LYS 41 5.496 7.116 -7.562 126 HZ2 LYS 41 1HZ LYS 41 6.562 6.617 -8.693 127 HZ3 LYS 41 2HZ LYS 41 6.958 6.590 -7.089 128 H GLU 42 H GLU 42 2.096 -0.490 -9.813 129 HA GLU 42 HA GLU 42 0.848 -0.283 -12.351 130 HB2 GLU 42 2HB GLU 42 2.051 -2.220 -10.530 131 HB3 GLU 42 3HB GLU 42 1.358 -2.792 -11.901 132 HG2 GLU 42 2HG GLU 42 2.922 -1.481 -13.196 133 HG3 GLU 42 3HG GLU 42 3.694 -0.842 -11.751 134 H LYS 43 H LYS 43 -0.017 -1.580 -9.120 135 HA LYS 43 HA LYS 43 -2.563 -2.408 -10.188 136 HB2 LYS 43 2HB LYS 43 -1.885 -1.944 -7.262 137 HB3 LYS 43 3HB LYS 43 -3.266 -2.812 -7.952 138 HG2 LYS 43 2HG LYS 43 -0.417 -3.723 -8.082 139 HG3 LYS 43 3HG LYS 43 -1.671 -4.332 -7.012 140 HD2 LYS 43 2HD LYS 43 -2.950 -5.289 -8.770 141 HD3 LYS 43 3HD LYS 43 -1.970 -4.478 -9.999 142 HE2 LYS 43 2HE LYS 43 0.043 -5.759 -9.153 143 HE3 LYS 43 3HE LYS 43 -1.021 -6.616 -8.021 144 HZ1 LYS 43 3HZ LYS 43 -2.193 -7.560 -9.909 145 HZ2 LYS 43 1HZ LYS 43 -0.605 -7.888 -10.011 146 HZ3 LYS 43 2HZ LYS 43 -1.225 -6.715 -10.978 147 H PHE 44 H PHE 44 -1.214 0.559 -9.002 148 HA PHE 44 HA PHE 44 -3.809 1.855 -9.487 149 HB2 PHE 44 2HB PHE 44 -1.856 2.618 -7.253 150 HB3 PHE 44 3HB PHE 44 -3.442 3.319 -7.526 151 HD1 PHE 44 1HD PHE 44 -5.500 2.060 -7.045 152 HD2 PHE 44 2HD PHE 44 -1.631 0.467 -6.018 153 HE1 PHE 44 1HE PHE 44 -6.567 0.364 -5.589 154 HE2 PHE 44 2HE PHE 44 -2.693 -1.261 -4.626 155 HZ PHE 44 HZ PHE 44 -5.170 -1.293 -4.385 156 HA PRO 45 HA PRO 45 -1.036 4.444 -12.089 157 HB2 PRO 45 2HB PRO 45 -2.190 3.816 -14.515 158 HB3 PRO 45 3HB PRO 45 -0.785 2.940 -13.833 159 HG2 PRO 45 2HG PRO 45 -3.721 2.181 -13.629 160 HG3 PRO 45 3HG PRO 45 -2.354 1.150 -14.130 161 HD2 PRO 45 2HD PRO 45 -3.173 0.967 -11.626 162 HD3 PRO 45 3HD PRO 45 -1.487 1.092 -11.866 163 H ARG 46 H ARG 46 -4.364 3.926 -11.437 164 HA ARG 46 HA ARG 46 -5.275 6.441 -12.519 165 HB2 ARG 46 2HB ARG 46 -6.451 4.512 -10.530 166 HB3 ARG 46 3HB ARG 46 -7.234 6.033 -10.932 167 HG2 ARG 46 2HG ARG 46 -8.272 4.611 -12.335 168 HG3 ARG 46 3HG ARG 46 -7.090 5.338 -13.388 169 HD2 ARG 46 2HD ARG 46 -7.331 2.952 -13.782 170 HD3 ARG 46 3HD ARG 46 -5.689 3.336 -13.275 171 HE ARG 46 HE ARG 46 -7.012 2.589 -10.905 172 HH11 ARG 46 1HH1 ARG 46 -6.600 0.946 -14.044 173 HH12 ARG 46 2HH1 ARG 46 -6.590 -0.604 -13.220 174 HH21 ARG 46 2HH2 ARG 46 -6.914 -0.836 -11.216 175 HH22 ARG 46 1HH2 ARG 46 -7.091 0.517 -10.094 176 H ALA 47 H ALA 47 -3.338 5.861 -9.764 177 HA ALA 47 HA ALA 47 -4.688 7.306 -7.828 178 HB1 ALA 47 1HB ALA 47 -1.728 6.644 -8.007 179 HB2 ALA 47 2HB ALA 47 -2.602 7.084 -6.533 180 HB3 ALA 47 3HB ALA 47 -3.015 5.588 -7.378 181 H THR 48 H THR 48 -4.336 9.162 -6.648 182 HA THR 48 HA THR 48 -2.771 11.399 -7.921 183 HB THR 48 HB THR 48 -4.095 12.912 -6.539 184 HG1 THR 48 1HG THR 48 -5.204 11.915 -5.021 185 HG21 THR 48 1HG2 THR 48 -6.116 12.852 -7.926 186 HG22 THR 48 2HG2 THR 48 -5.748 11.188 -8.435 187 HG23 THR 48 3HG2 THR 48 -4.682 12.526 -8.913 188 H ALA 49 H ALA 49 -3.161 9.423 -4.979 189 HA ALA 49 HA ALA 49 -0.475 10.471 -4.226 190 HB1 ALA 49 1HB ALA 49 -2.232 11.246 -2.610 191 HB2 ALA 49 2HB ALA 49 -2.529 9.541 -2.199 192 HB3 ALA 49 3HB ALA 49 -0.941 10.264 -1.897 193 H ILE 50 H ILE 50 1.055 8.991 -3.784 194 HA ILE 50 HA ILE 50 0.523 6.211 -3.114 195 HB ILE 50 HB ILE 50 2.273 5.585 -5.042 196 HG12 ILE 50 2HG1 ILE 50 0.593 7.630 -6.553 197 HG13 ILE 50 3HG1 ILE 50 2.227 7.972 -5.972 198 HG21 ILE 50 1HG2 ILE 50 0.505 4.554 -6.292 199 HG22 ILE 50 2HG2 ILE 50 0.089 4.502 -4.577 200 HG23 ILE 50 3HG2 ILE 50 -0.689 5.688 -5.648 201 HD11 ILE 50 3HD1 ILE 50 1.487 5.779 -7.945 202 HD12 ILE 50 1HD1 ILE 50 2.321 7.305 -8.295 203 HD13 ILE 50 2HD1 ILE 50 3.106 6.086 -7.275 204 H LYS 51 H LYS 51 1.763 6.090 -1.414 205 HA LYS 51 HA LYS 51 4.677 6.595 -1.588 206 HB2 LYS 51 2HB LYS 51 4.663 8.032 0.365 207 HB3 LYS 51 3HB LYS 51 3.835 8.714 -1.029 208 HG2 LYS 51 2HG LYS 51 1.650 7.779 0.161 209 HG3 LYS 51 3HG LYS 51 2.691 7.710 1.584 210 HD2 LYS 51 2HD LYS 51 1.566 9.801 1.647 211 HD3 LYS 51 3HD LYS 51 3.230 10.147 1.132 212 HE2 LYS 51 2HE LYS 51 2.503 10.339 -1.208 213 HE3 LYS 51 3HE LYS 51 0.875 9.800 -0.792 214 HZ1 LYS 51 3HZ LYS 51 2.134 12.304 0.180 215 HZ2 LYS 51 1HZ LYS 51 0.588 11.853 0.496 216 HZ3 LYS 51 2HZ LYS 51 1.021 12.242 -1.032 217 H VAL 52 H VAL 52 5.888 5.536 -0.074 218 HA VAL 52 HA VAL 52 4.582 3.582 1.776 219 HB VAL 52 HB VAL 52 6.975 2.965 -0.001 220 HG11 VAL 52 1HG1 VAL 52 5.190 1.142 1.668 221 HG12 VAL 52 2HG1 VAL 52 6.489 0.603 0.581 222 HG13 VAL 52 3HG1 VAL 52 6.878 1.553 2.009 223 HG21 VAL 52 3HG2 VAL 52 4.075 2.138 -0.452 224 HG22 VAL 52 1HG2 VAL 52 5.057 3.160 -1.523 225 HG23 VAL 52 2HG2 VAL 52 5.478 1.477 -1.332 226 H THR 53 H THR 53 5.715 3.094 3.740 227 HA THR 53 HA THR 53 8.563 3.984 3.941 228 HB THR 53 HB THR 53 6.379 4.706 5.977 229 HG1 THR 53 1HG THR 53 7.233 5.965 3.815 230 HG21 THR 53 1HG2 THR 53 8.202 6.060 7.018 231 HG22 THR 53 2HG2 THR 53 9.353 5.232 5.918 232 HG23 THR 53 3HG2 THR 53 8.426 4.319 7.128 233 H ASP 54 H ASP 54 9.757 2.402 4.610 234 HA ASP 54 HA ASP 54 8.788 0.107 6.221 235 HB2 ASP 54 2HB ASP 54 10.722 -0.233 4.772 236 HB3 ASP 54 3HB ASP 54 11.432 1.242 5.216 237 H ILE 55 H ILE 55 8.557 0.043 8.220 238 HA ILE 55 HA ILE 55 9.752 2.031 10.078 239 HB ILE 55 HB ILE 55 7.638 2.189 11.306 240 HG12 ILE 55 2HG1 ILE 55 6.482 0.425 9.088 241 HG13 ILE 55 3HG1 ILE 55 6.475 0.220 10.786 242 HG21 ILE 55 1HG2 ILE 55 6.648 3.846 9.928 243 HG22 ILE 55 2HG2 ILE 55 8.355 3.825 9.496 244 HG23 ILE 55 3HG2 ILE 55 7.151 3.038 8.437 245 HD11 ILE 55 3HD1 ILE 55 4.253 0.884 10.002 246 HD12 ILE 55 1HD1 ILE 55 4.915 2.208 10.991 247 HD13 ILE 55 2HD1 ILE 55 4.912 2.325 9.214 248 H SER 56 H SER 56 10.556 -0.586 9.253 249 HA SER 56 HA SER 56 10.246 -2.304 11.667 250 HB2 SER 56 2HB SER 56 8.795 -2.745 9.655 251 HB3 SER 56 3HB SER 56 10.177 -3.252 8.819 252 HG SER 56 HG SER 56 10.060 -4.435 11.303 253 H GLY 57 H GLY 57 12.350 -0.960 11.996 254 HA2 GLY 57 2HA GLY 57 14.709 -1.494 10.492 255 HA3 GLY 57 3HA GLY 57 14.593 -0.801 12.099 256 H GLY 58 H GLY 58 13.291 -3.952 11.890 257 HA2 GLY 58 2HA GLY 58 15.761 -5.404 12.609 258 HA3 GLY 58 3HA GLY 58 14.603 -5.198 13.925 259 H CYS 59 H CYS 59 13.297 -5.469 10.761 260 HA CYS 59 HA CYS 59 13.064 -8.351 10.590 261 HB2 CYS 59 2HB CYS 59 11.297 -7.468 12.381 262 HB3 CYS 59 3HB CYS 59 10.404 -6.924 10.968 263 HG CYS 59 HG CYS 59 10.481 -9.289 9.729 264 H GLY 60 H GLY 60 12.232 -5.101 9.497 265 HA2 GLY 60 2HA GLY 60 11.480 -4.194 7.657 266 HA3 GLY 60 3HA GLY 60 12.301 -5.503 6.737 267 H ALA 61 H ALA 61 9.580 -5.663 8.982 268 HA ALA 61 HA ALA 61 7.814 -6.998 6.979 269 HB1 ALA 61 1HB ALA 61 8.553 -8.277 8.945 270 HB2 ALA 61 2HB ALA 61 7.985 -6.969 10.015 271 HB3 ALA 61 3HB ALA 61 6.813 -7.929 9.071 272 H MET 62 H MET 62 7.861 -4.345 9.396 273 HA MET 62 HA MET 62 5.021 -3.657 8.907 274 HB2 MET 62 2HB MET 62 7.190 -2.525 10.735 275 HB3 MET 62 3HB MET 62 5.683 -1.682 10.403 276 HG2 MET 62 2HG MET 62 4.388 -3.066 11.464 277 HG3 MET 62 3HG MET 62 5.485 -4.468 11.423 278 HE1 MET 62 3HE MET 62 7.530 -4.721 12.940 279 HE2 MET 62 1HE MET 62 8.259 -3.120 12.669 280 HE3 MET 62 2HE MET 62 7.959 -3.686 14.324 281 H TYR 63 H TYR 63 4.362 -2.211 7.520 282 HA TYR 63 HA TYR 63 6.178 -0.044 6.718 283 HB2 TYR 63 2HB TYR 63 4.609 -1.673 4.713 284 HB3 TYR 63 3HB TYR 63 5.421 -0.244 4.358 285 HD1 TYR 63 HD1 TYR 63 7.849 -0.296 3.817 286 HD2 TYR 63 HD2 TYR 63 5.835 -3.770 5.393 287 HE1 TYR 63 HE1 TYR 63 9.862 -1.675 3.380 288 HE2 TYR 63 HE2 TYR 63 7.829 -5.157 4.910 289 HH TYR 63 HH TYR 63 9.990 -5.129 4.343 290 H GLU 64 H GLU 64 5.263 1.791 6.303 291 HA GLU 64 HA GLU 64 2.358 2.219 6.603 292 HB2 GLU 64 2HB GLU 64 4.521 3.730 7.414 293 HB3 GLU 64 3HB GLU 64 4.199 4.474 5.850 294 HG2 GLU 64 2HG GLU 64 1.793 4.705 6.532 295 HG3 GLU 64 3HG GLU 64 2.219 3.913 8.043 296 H ILE 65 H ILE 65 1.031 2.592 4.826 297 HA ILE 65 HA ILE 65 2.270 3.256 2.194 298 HB ILE 65 HB ILE 65 0.173 1.093 2.634 299 HG12 ILE 65 2HG1 ILE 65 2.897 0.921 1.268 300 HG13 ILE 65 3HG1 ILE 65 2.576 0.409 2.920 301 HG21 ILE 65 1HG2 ILE 65 -0.496 2.430 0.694 302 HG22 ILE 65 2HG2 ILE 65 1.156 2.373 0.041 303 HG23 ILE 65 3HG2 ILE 65 0.144 0.912 0.115 304 HD11 ILE 65 3HD1 ILE 65 2.561 -1.553 1.564 305 HD12 ILE 65 1HD1 ILE 65 0.880 -1.237 2.038 306 HD13 ILE 65 2HD1 ILE 65 1.441 -0.852 0.395 307 H LYS 66 H LYS 66 1.197 4.976 1.257 308 HA LYS 66 HA LYS 66 -1.639 5.294 1.970 309 HB2 LYS 66 2HB LYS 66 -0.343 6.885 3.374 310 HB3 LYS 66 3HB LYS 66 0.191 7.716 1.922 311 HG2 LYS 66 2HG LYS 66 -2.746 7.201 2.198 312 HG3 LYS 66 3HG LYS 66 -2.048 8.341 3.351 313 HD2 LYS 66 2HD LYS 66 -1.100 9.575 1.300 314 HD3 LYS 66 3HD LYS 66 -2.081 8.522 0.286 315 HE2 LYS 66 2HE LYS 66 -3.105 10.432 2.433 316 HE3 LYS 66 3HE LYS 66 -3.130 10.722 0.696 317 HZ1 LYS 66 3HZ LYS 66 -4.606 8.654 0.570 318 HZ2 LYS 66 1HZ LYS 66 -5.244 9.996 1.260 319 HZ3 LYS 66 2HZ LYS 66 -4.769 8.778 2.212 320 H ILE 67 H ILE 67 -2.949 5.439 0.430 321 HA ILE 67 HA ILE 67 -1.987 6.163 -2.252 322 HB ILE 67 HB ILE 67 -4.085 4.072 -1.772 323 HG12 ILE 67 2HG1 ILE 67 -1.083 3.843 -1.658 324 HG13 ILE 67 3HG1 ILE 67 -2.326 3.041 -0.780 325 HG21 ILE 67 1HG2 ILE 67 -3.532 3.462 -4.123 326 HG22 ILE 67 2HG2 ILE 67 -4.133 5.088 -4.001 327 HG23 ILE 67 3HG2 ILE 67 -2.389 4.827 -4.177 328 HD11 ILE 67 3HD1 ILE 67 -1.078 1.534 -2.201 329 HD12 ILE 67 1HD1 ILE 67 -2.752 1.613 -2.816 330 HD13 ILE 67 2HD1 ILE 67 -1.431 2.477 -3.645 331 H GLU 68 H GLU 68 -3.701 7.073 -3.633 332 HA GLU 68 HA GLU 68 -6.410 7.518 -2.634 333 HB2 GLU 68 2HB GLU 68 -5.196 9.486 -1.742 334 HB3 GLU 68 3HB GLU 68 -4.513 9.731 -3.259 335 HG2 GLU 68 2HG GLU 68 -6.820 10.268 -4.189 336 HG3 GLU 68 3HG GLU 68 -7.479 10.006 -2.594 337 H SER 69 H SER 69 -7.748 7.226 -4.459 338 HA SER 69 HA SER 69 -6.709 7.697 -7.191 339 HB2 SER 69 2HB SER 69 -5.767 5.447 -6.533 340 HB3 SER 69 3HB SER 69 -7.402 4.902 -6.214 341 HG SER 69 HG SER 69 -6.924 4.305 -8.342 342 H GLU 70 H GLU 70 -8.338 7.778 -8.741 343 HA GLU 70 HA GLU 70 -10.983 8.390 -7.954 344 HB2 GLU 70 2HB GLU 70 -9.654 7.848 -10.510 345 HB3 GLU 70 3HB GLU 70 -11.423 7.897 -10.487 346 HG2 GLU 70 2HG GLU 70 -11.183 10.146 -9.258 347 HG3 GLU 70 3HG GLU 70 -9.467 10.081 -9.698 348 H GLU 71 H GLU 71 -9.606 5.224 -8.561 349 HA GLU 71 HA GLU 71 -12.078 3.846 -9.069 350 HB2 GLU 71 2HB GLU 71 -10.814 1.866 -8.947 351 HB3 GLU 71 3HB GLU 71 -9.788 3.095 -9.691 352 HG2 GLU 71 2HG GLU 71 -8.995 3.436 -7.146 353 HG3 GLU 71 3HG GLU 71 -9.611 1.806 -6.964 354 H PHE 72 H PHE 72 -10.756 5.030 -6.083 355 HA PHE 72 HA PHE 72 -11.825 2.873 -4.451 356 HB2 PHE 72 2HB PHE 72 -10.230 5.391 -4.014 357 HB3 PHE 72 3HB PHE 72 -10.905 4.586 -2.651 358 HD1 PHE 72 1HD PHE 72 -7.940 5.097 -3.821 359 HD2 PHE 72 2HD PHE 72 -10.495 1.661 -3.316 360 HE1 PHE 72 1HE PHE 72 -5.952 3.645 -3.549 361 HE2 PHE 72 2HE PHE 72 -8.516 0.234 -3.023 362 HZ PHE 72 HZ PHE 72 -6.239 1.223 -3.132 363 H LYS 73 H LYS 73 -13.637 4.878 -5.924 364 HA LYS 73 HA LYS 73 -15.140 6.282 -3.864 365 HB2 LYS 73 2HB LYS 73 -16.766 6.722 -5.774 366 HB3 LYS 73 3HB LYS 73 -15.136 7.327 -5.983 367 HG2 LYS 73 2HG LYS 73 -14.603 5.289 -7.392 368 HG3 LYS 73 3HG LYS 73 -16.301 4.820 -7.288 369 HD2 LYS 73 2HD LYS 73 -17.022 6.680 -8.512 370 HD3 LYS 73 3HD LYS 73 -15.482 7.564 -8.286 371 HE2 LYS 73 2HE LYS 73 -14.318 5.673 -9.526 372 HE3 LYS 73 3HE LYS 73 -15.916 5.080 -9.987 373 HZ1 LYS 73 3HZ LYS 73 -14.809 7.767 -10.607 374 HZ2 LYS 73 1HZ LYS 73 -16.282 7.251 -11.089 375 HZ3 LYS 73 2HZ LYS 73 -14.919 6.541 -11.686 376 H GLU 74 H GLU 74 -15.747 3.394 -5.738 377 HA GLU 74 HA GLU 74 -18.340 2.890 -4.507 378 HB2 GLU 74 2HB GLU 74 -18.506 1.130 -6.142 379 HB3 GLU 74 3HB GLU 74 -17.861 2.605 -6.907 380 HG2 GLU 74 2HG GLU 74 -15.579 1.673 -6.837 381 HG3 GLU 74 3HG GLU 74 -16.159 0.241 -5.989 382 H LYS 75 H LYS 75 -15.889 2.842 -2.803 383 HA LYS 75 HA LYS 75 -15.854 0.035 -1.766 384 HB2 LYS 75 2HB LYS 75 -13.519 1.938 -2.151 385 HB3 LYS 75 3HB LYS 75 -13.423 0.339 -1.419 386 HG2 LYS 75 2HG LYS 75 -14.263 0.853 -4.301 387 HG3 LYS 75 3HG LYS 75 -12.622 0.505 -3.773 388 HD2 LYS 75 2HD LYS 75 -13.132 -1.682 -3.061 389 HD3 LYS 75 3HD LYS 75 -14.899 -1.425 -3.159 390 HE2 LYS 75 2HE LYS 75 -14.856 -1.167 -5.484 391 HE3 LYS 75 3HE LYS 75 -13.090 -1.073 -5.550 392 HZ1 LYS 75 3HZ LYS 75 -13.902 -3.261 -6.250 393 HZ2 LYS 75 1HZ LYS 75 -14.659 -3.495 -4.815 394 HZ3 LYS 75 2HZ LYS 75 -13.030 -3.440 -4.841 395 H ARG 76 H ARG 76 -16.138 -0.207 0.291 396 HA ARG 76 HA ARG 76 -16.167 1.875 2.266 397 HB2 ARG 76 2HB ARG 76 -15.685 -1.075 2.782 398 HB3 ARG 76 3HB ARG 76 -16.442 0.139 3.721 399 HG2 ARG 76 2HG ARG 76 -18.354 0.205 1.977 400 HG3 ARG 76 3HG ARG 76 -17.682 -1.365 1.450 401 HD2 ARG 76 2HD ARG 76 -17.787 -2.124 3.864 402 HD3 ARG 76 3HD ARG 76 -18.567 -0.572 4.237 403 HE ARG 76 HE ARG 76 -20.019 -2.031 2.181 404 HH11 ARG 76 1HH1 ARG 76 -19.578 -1.800 5.672 405 HH12 ARG 76 2HH1 ARG 76 -21.122 -2.566 5.973 406 HH21 ARG 76 2HH2 ARG 76 -22.480 -3.019 4.310 407 HH22 ARG 76 1HH2 ARG 76 -21.920 -2.855 2.629 408 H THR 77 H THR 77 -14.663 1.807 4.157 409 HA THR 77 HA THR 77 -11.926 1.988 3.760 410 HB THR 77 HB THR 77 -13.495 0.971 6.129 411 HG1 THR 77 1HG THR 77 -13.068 3.249 6.720 412 HG21 THR 77 1HG2 THR 77 -10.649 2.121 6.066 413 HG22 THR 77 2HG2 THR 77 -11.090 0.460 6.535 414 HG23 THR 77 3HG2 THR 77 -11.599 1.814 7.541 415 H VAL 78 H VAL 78 -13.475 -0.989 4.983 416 HA VAL 78 HA VAL 78 -11.240 -2.708 4.759 417 HB VAL 78 HB VAL 78 -13.125 -3.336 6.029 418 HG11 VAL 78 1HG1 VAL 78 -15.305 -3.917 5.163 419 HG12 VAL 78 2HG1 VAL 78 -14.933 -2.241 4.755 420 HG13 VAL 78 3HG1 VAL 78 -14.814 -3.517 3.512 421 HG21 VAL 78 3HG2 VAL 78 -11.810 -5.170 4.954 422 HG22 VAL 78 1HG2 VAL 78 -13.473 -5.622 5.373 423 HG23 VAL 78 2HG2 VAL 78 -13.047 -5.277 3.687 424 H GLN 79 H GLN 79 -13.699 -1.937 2.294 425 HA GLN 79 HA GLN 79 -12.596 -3.843 0.398 426 HB2 GLN 79 2HB GLN 79 -14.538 -1.560 -0.121 427 HB3 GLN 79 3HB GLN 79 -14.099 -2.863 -1.226 428 HG2 GLN 79 2HG GLN 79 -14.870 -4.381 0.853 429 HG3 GLN 79 3HG GLN 79 -15.893 -2.976 1.161 430 HE21 GLN 79 2HE2 GLN 79 -17.918 -3.690 -1.759 431 HE22 GLN 79 1HE2 GLN 79 -17.550 -2.398 -0.646 432 H GLN 80 H GLN 80 -11.893 -0.431 1.047 433 HA GLN 80 HA GLN 80 -10.209 -0.052 -1.302 434 HB2 GLN 80 2HB GLN 80 -10.264 1.373 1.396 435 HB3 GLN 80 3HB GLN 80 -9.267 1.846 0.018 436 HG2 GLN 80 2HG GLN 80 -11.263 2.360 -1.312 437 HG3 GLN 80 3HG GLN 80 -12.304 1.868 0.010 438 HE21 GLN 80 2HE2 GLN 80 -12.120 5.545 0.257 439 HE22 GLN 80 1HE2 GLN 80 -12.758 4.396 -0.914 440 H HIS 81 H HIS 81 -9.521 -0.839 2.180 441 HA HIS 81 HA HIS 81 -6.734 -1.141 1.993 442 HB2 HIS 81 2HB HIS 81 -8.769 -2.596 3.727 443 HB3 HIS 81 3HB HIS 81 -7.031 -2.779 3.914 444 HD1 HIS 81 1HD HIS 81 -9.022 -1.429 6.147 445 HD2 HIS 81 2HD HIS 81 -6.306 0.427 3.511 446 HE1 HIS 81 1HE HIS 81 -8.353 0.759 7.232 447 H GLN 82 H GLN 82 -9.102 -3.857 1.629 448 HA GLN 82 HA GLN 82 -7.436 -5.917 0.989 449 HB2 GLN 82 2HB GLN 82 -9.676 -6.366 1.251 450 HB3 GLN 82 3HB GLN 82 -10.188 -5.143 0.095 451 HG2 GLN 82 2HG GLN 82 -10.569 -7.442 -0.675 452 HG3 GLN 82 3HG GLN 82 -9.613 -6.462 -1.771 453 HE21 GLN 82 2HE2 GLN 82 -7.337 -9.108 -2.106 454 HE22 GLN 82 1HE2 GLN 82 -8.333 -7.868 -2.853 455 H MET 83 H MET 83 -8.424 -3.404 -1.424 456 HA MET 83 HA MET 83 -7.235 -4.691 -3.692 457 HB2 MET 83 2HB MET 83 -7.587 -1.708 -3.193 458 HB3 MET 83 3HB MET 83 -7.401 -2.486 -4.765 459 HG2 MET 83 2HG MET 83 -9.468 -3.665 -4.479 460 HG3 MET 83 3HG MET 83 -9.698 -3.056 -2.876 461 HE1 MET 83 3HE MET 83 -9.389 -2.012 -6.617 462 HE2 MET 83 1HE MET 83 -10.107 -0.387 -6.633 463 HE3 MET 83 2HE MET 83 -8.519 -0.645 -5.888 464 H VAL 84 H VAL 84 -5.979 -2.483 -1.346 465 HA VAL 84 HA VAL 84 -3.344 -2.083 -2.607 466 HB VAL 84 HB VAL 84 -4.065 -1.455 0.271 467 HG11 VAL 84 1HG1 VAL 84 -2.056 -0.379 -1.716 468 HG12 VAL 84 2HG1 VAL 84 -2.495 0.553 -0.274 469 HG13 VAL 84 3HG1 VAL 84 -1.740 -1.068 -0.121 470 HG21 VAL 84 3HG2 VAL 84 -5.801 -0.406 -1.055 471 HG22 VAL 84 1HG2 VAL 84 -4.684 0.793 -0.442 472 HG23 VAL 84 2HG2 VAL 84 -4.568 0.286 -2.146 473 H ASN 85 H ASN 85 -4.720 -4.099 -0.025 474 HA ASN 85 HA ASN 85 -2.295 -5.290 0.956 475 HB2 ASN 85 2HB ASN 85 -5.242 -5.962 0.993 476 HB3 ASN 85 3HB ASN 85 -4.071 -7.181 1.514 477 HD21 ASN 85 2HD2 ASN 85 -4.655 -3.882 3.836 478 HD22 ASN 85 1HD2 ASN 85 -5.003 -3.803 2.114 479 H GLN 86 H GLN 86 -4.646 -6.462 -1.642 480 HA GLN 86 HA GLN 86 -3.309 -8.762 -2.381 481 HB2 GLN 86 2HB GLN 86 -5.609 -7.633 -2.856 482 HB3 GLN 86 3HB GLN 86 -4.787 -6.631 -4.026 483 HG2 GLN 86 2HG GLN 86 -5.846 -8.331 -5.161 484 HG3 GLN 86 3HG GLN 86 -4.106 -8.673 -5.231 485 HE21 GLN 86 2HE2 GLN 86 -4.870 -12.006 -4.199 486 HE22 GLN 86 1HE2 GLN 86 -3.836 -10.930 -5.148 487 H ALA 87 H ALA 87 -2.534 -5.410 -3.139 488 HA ALA 87 HA ALA 87 -1.086 -5.800 -5.565 489 HB1 ALA 87 1HB ALA 87 -0.678 -3.617 -3.476 490 HB2 ALA 87 2HB ALA 87 -0.283 -3.536 -5.196 491 HB3 ALA 87 3HB ALA 87 -1.986 -3.609 -4.682 492 H LEU 88 H LEU 88 -0.006 -5.945 -2.156 493 HA LEU 88 HA LEU 88 2.622 -7.012 -3.146 494 HB2 LEU 88 2HB LEU 88 3.813 -5.805 -1.709 495 HB3 LEU 88 3HB LEU 88 2.661 -4.661 -2.344 496 HG LEU 88 HG LEU 88 2.869 -4.083 -0.110 497 HD11 LEU 88 1HD1 LEU 88 0.784 -4.424 1.005 498 HD12 LEU 88 2HD1 LEU 88 0.431 -5.866 0.052 499 HD13 LEU 88 3HD1 LEU 88 0.469 -4.268 -0.733 500 HD21 LEU 88 3HD2 LEU 88 4.067 -6.173 0.475 501 HD22 LEU 88 1HD2 LEU 88 2.480 -6.915 0.914 502 HD23 LEU 88 2HD2 LEU 88 3.057 -5.477 1.756 503 H LYS 89 H LYS 89 -0.096 -8.015 -1.610 504 HA LYS 89 HA LYS 89 0.623 -9.590 0.520 505 HB2 LYS 89 2HB LYS 89 -1.678 -9.471 -0.298 506 HB3 LYS 89 3HB LYS 89 -1.226 -10.112 -1.877 507 HG2 LYS 89 2HG LYS 89 -0.886 -12.297 -1.050 508 HG3 LYS 89 3HG LYS 89 -0.749 -11.776 0.590 509 HD2 LYS 89 2HD LYS 89 -2.875 -12.831 0.442 510 HD3 LYS 89 3HD LYS 89 -3.227 -11.100 0.496 511 HE2 LYS 89 2HE LYS 89 -3.333 -11.171 -2.075 512 HE3 LYS 89 3HE LYS 89 -3.199 -12.933 -1.945 513 HZ1 LYS 89 3HZ LYS 89 -5.391 -11.215 -0.949 514 HZ2 LYS 89 1HZ LYS 89 -5.213 -12.763 -0.445 515 HZ3 LYS 89 2HZ LYS 89 -5.489 -12.451 -2.035 516 H GLU 90 H GLU 90 1.321 -10.292 -2.940 517 HA GLU 90 HA GLU 90 2.164 -12.893 -2.205 518 HB2 GLU 90 2HB GLU 90 2.082 -11.371 -4.810 519 HB3 GLU 90 3HB GLU 90 2.416 -13.066 -4.627 520 HG2 GLU 90 2HG GLU 90 0.187 -13.316 -3.421 521 HG3 GLU 90 3HG GLU 90 -0.192 -11.672 -3.931 522 H GLU 91 H GLU 91 3.720 -10.100 -1.676 523 HA GLU 91 HA GLU 91 6.472 -11.140 -2.078 524 HB2 GLU 91 2HB GLU 91 5.163 -8.403 -2.339 525 HB3 GLU 91 3HB GLU 91 6.797 -8.499 -1.853 526 HG2 GLU 91 2HG GLU 91 5.556 -9.366 -4.471 527 HG3 GLU 91 3HG GLU 91 6.759 -8.110 -4.211 528 H ILE 92 H ILE 92 4.659 -8.755 0.019 529 HA ILE 92 HA ILE 92 5.879 -10.071 2.412 530 HB ILE 92 HB ILE 92 4.853 -7.234 2.308 531 HG12 ILE 92 2HG1 ILE 92 6.720 -7.347 0.697 532 HG13 ILE 92 3HG1 ILE 92 6.948 -6.307 2.051 533 HG21 ILE 92 1HG2 ILE 92 6.565 -8.750 4.307 534 HG22 ILE 92 2HG2 ILE 92 6.124 -7.029 4.408 535 HG23 ILE 92 3HG2 ILE 92 4.868 -8.269 4.494 536 HD11 ILE 92 3HD1 ILE 92 8.472 -7.989 3.114 537 HD12 ILE 92 1HD1 ILE 92 8.203 -9.063 1.717 538 HD13 ILE 92 2HD1 ILE 92 9.017 -7.507 1.501 539 H LYS 93 H LYS 93 4.197 -11.643 2.606 540 HA LYS 93 HA LYS 93 1.486 -10.809 2.370 541 HB2 LYS 93 2HB LYS 93 1.020 -13.073 2.646 542 HB3 LYS 93 3HB LYS 93 2.581 -13.084 1.835 543 HG2 LYS 93 2HG LYS 93 3.563 -13.396 4.216 544 HG3 LYS 93 3HG LYS 93 1.905 -13.686 4.721 545 HD2 LYS 93 2HD LYS 93 2.804 -15.828 4.409 546 HD3 LYS 93 3HD LYS 93 1.800 -15.553 2.993 547 HE2 LYS 93 2HE LYS 93 3.827 -16.630 2.293 548 HE3 LYS 93 3HE LYS 93 3.887 -14.965 1.688 549 HZ1 LYS 93 3HZ LYS 93 5.993 -15.750 2.745 550 HZ2 LYS 93 1HZ LYS 93 5.213 -15.872 4.188 551 HZ3 LYS 93 2HZ LYS 93 5.389 -14.407 3.450 552 H GLU 94 H GLU 94 3.601 -10.804 4.995 553 HA GLU 94 HA GLU 94 2.056 -11.124 7.286 554 HB2 GLU 94 2HB GLU 94 4.746 -10.173 6.457 555 HB3 GLU 94 3HB GLU 94 4.243 -9.739 8.027 556 HG2 GLU 94 2HG GLU 94 5.435 -11.689 8.388 557 HG3 GLU 94 3HG GLU 94 3.746 -12.166 8.546 558 H MET 95 H MET 95 0.427 -9.433 5.863 559 HA MET 95 HA MET 95 0.912 -6.662 6.406 560 HB2 MET 95 2HB MET 95 -1.502 -8.106 5.316 561 HB3 MET 95 3HB MET 95 -1.394 -6.343 5.419 562 HG2 MET 95 2HG MET 95 0.537 -6.249 4.011 563 HG3 MET 95 3HG MET 95 0.738 -7.997 4.003 564 HE1 MET 95 3HE MET 95 -0.439 -9.631 2.374 565 HE2 MET 95 1HE MET 95 -1.747 -9.349 3.533 566 HE3 MET 95 2HE MET 95 -2.100 -9.303 1.803 567 H HIS 96 H HIS 96 0.344 -8.695 8.774 568 HA HIS 96 HA HIS 96 -1.418 -7.008 10.404 569 HB2 HIS 96 2HB HIS 96 -0.922 -8.369 12.155 570 HB3 HIS 96 3HB HIS 96 -0.788 -9.508 10.833 571 HD1 HIS 96 1HD HIS 96 0.920 -8.495 13.869 572 HD2 HIS 96 2HD HIS 96 2.155 -9.530 9.988 573 HE1 HIS 96 1HE HIS 96 3.396 -9.087 14.040 574 H GLY 97 H GLY 97 1.832 -6.825 9.315 575 HA2 GLY 97 2HA GLY 97 2.745 -4.889 11.375 576 HA3 GLY 97 3HA GLY 97 3.636 -5.447 9.953 577 H LEU 98 H LEU 98 1.458 -4.943 8.145 578 HA LEU 98 HA LEU 98 2.232 -2.270 7.373 579 HB2 LEU 98 2HB LEU 98 0.522 -4.383 6.097 580 HB3 LEU 98 3HB LEU 98 0.581 -2.722 5.504 581 HG LEU 98 HG LEU 98 3.205 -2.979 5.729 582 HD11 LEU 98 1HD1 LEU 98 2.501 -5.876 5.227 583 HD12 LEU 98 2HD1 LEU 98 3.225 -5.240 6.733 584 HD13 LEU 98 3HD1 LEU 98 4.092 -5.118 5.208 585 HD21 LEU 98 3HD2 LEU 98 1.619 -4.279 3.538 586 HD22 LEU 98 1HD2 LEU 98 3.317 -3.712 3.445 587 HD23 LEU 98 2HD2 LEU 98 2.013 -2.541 3.736 588 H ARG 99 H ARG 99 1.227 -0.516 7.147 589 HA ARG 99 HA ARG 99 -1.412 -0.020 8.514 590 HB2 ARG 99 2HB ARG 99 0.759 0.561 9.792 591 HB3 ARG 99 3HB ARG 99 0.912 1.902 8.648 592 HG2 ARG 99 2HG ARG 99 -1.501 2.542 9.274 593 HG3 ARG 99 3HG ARG 99 -1.429 1.256 10.488 594 HD2 ARG 99 2HD ARG 99 0.679 2.406 11.389 595 HD3 ARG 99 3HD ARG 99 0.250 3.734 10.290 596 HE ARG 99 HE ARG 99 -1.968 2.965 12.021 597 HH11 ARG 99 1HH1 ARG 99 1.013 4.815 12.174 598 HH12 ARG 99 2HH1 ARG 99 0.429 5.764 13.528 599 HH21 ARG 99 2HH2 ARG 99 -1.519 5.170 14.519 600 HH22 ARG 99 1HH2 ARG 99 -2.552 3.984 13.721 601 H ILE 100 H ILE 100 -2.680 0.208 6.759 602 HA ILE 100 HA ILE 100 -1.744 1.982 4.551 603 HB ILE 100 HB ILE 100 -3.924 -0.128 4.292 604 HG12 ILE 100 2HG1 ILE 100 -0.935 -0.562 4.015 605 HG13 ILE 100 3HG1 ILE 100 -2.128 -1.396 5.035 606 HG21 ILE 100 1HG2 ILE 100 -2.146 1.227 2.226 607 HG22 ILE 100 2HG2 ILE 100 -3.421 0.029 1.906 608 HG23 ILE 100 3HG2 ILE 100 -3.862 1.587 2.523 609 HD11 ILE 100 3HD1 ILE 100 -1.772 -1.672 2.063 610 HD12 ILE 100 1HD1 ILE 100 -1.731 -2.922 3.320 611 HD13 ILE 100 2HD1 ILE 100 -3.273 -2.128 2.903 612 H PHE 101 H PHE 101 -2.637 3.382 3.641 613 HA PHE 101 HA PHE 101 -5.036 4.674 4.809 614 HB2 PHE 101 2HB PHE 101 -2.295 5.623 3.917 615 HB3 PHE 101 3HB PHE 101 -3.614 6.667 4.280 616 HD1 PHE 101 1HD PHE 101 -1.262 4.204 5.708 617 HD2 PHE 101 2HD PHE 101 -3.947 7.462 6.497 618 HE1 PHE 101 1HE PHE 101 -0.413 4.318 8.016 619 HE2 PHE 101 2HE PHE 101 -3.062 7.637 8.795 620 HZ PHE 101 HZ PHE 101 -1.303 6.053 9.595 621 H THR 102 H THR 102 -6.514 5.368 3.237 622 HA THR 102 HA THR 102 -5.844 5.495 0.318 623 HB THR 102 HB THR 102 -7.874 4.024 -0.119 624 HG1 THR 102 1HG THR 102 -8.934 3.646 1.611 625 HG21 THR 102 1HG2 THR 102 -5.591 3.084 -0.401 626 HG22 THR 102 2HG2 THR 102 -6.796 1.875 0.072 627 HG23 THR 102 3HG2 THR 102 -5.650 2.497 1.277 628 H SER 103 H SER 103 -7.307 6.537 -0.849 629 HA SER 103 HA SER 103 -9.848 7.438 0.186 630 HB2 SER 103 2HB SER 103 -9.073 9.907 -0.226 631 HB3 SER 103 3HB SER 103 -8.699 9.145 1.307 632 HG SER 103 HG SER 103 -6.936 10.301 0.200 633 H VAL 104 H VAL 104 -10.645 9.238 -1.464 634 HA VAL 104 HA VAL 104 -9.740 8.605 -4.235 635 HB VAL 104 HB VAL 104 -11.559 7.113 -3.822 636 HG11 VAL 104 1HG1 VAL 104 -13.857 7.893 -3.404 637 HG12 VAL 104 2HG1 VAL 104 -12.774 8.000 -2.023 638 HG13 VAL 104 3HG1 VAL 104 -13.211 9.478 -2.949 639 HG21 VAL 104 3HG2 VAL 104 -11.439 8.145 -5.995 640 HG22 VAL 104 1HG2 VAL 104 -13.040 7.629 -5.591 641 HG23 VAL 104 2HG2 VAL 104 -12.633 9.373 -5.525 642 HA PRO 105 HA PRO 105 -10.095 13.047 -4.416 643 HB2 PRO 105 2HB PRO 105 -9.352 13.488 -6.991 644 HB3 PRO 105 3HB PRO 105 -8.179 12.861 -5.785 645 HG2 PRO 105 2HG PRO 105 -9.793 11.301 -7.811 646 HG3 PRO 105 3HG PRO 105 -8.056 11.102 -7.438 647 HD2 PRO 105 2HD PRO 105 -9.935 9.502 -6.389 648 HD3 PRO 105 3HD PRO 105 -8.430 9.906 -5.555 649 H LYS 106 H LYS 106 -11.898 14.059 -4.417 650 HA LYS 106 HA LYS 106 -14.137 13.278 -6.202 651 HB2 LYS 106 2HB LYS 106 -13.487 12.290 -3.550 652 HB3 LYS 106 3HB LYS 106 -14.897 13.267 -3.366 653 HG2 LYS 106 2HG LYS 106 -14.568 10.957 -5.350 654 HG3 LYS 106 3HG LYS 106 -15.331 10.858 -3.761 655 HD2 LYS 106 2HD LYS 106 -17.005 12.579 -4.512 656 HD3 LYS 106 3HD LYS 106 -16.316 12.491 -6.145 657 HE2 LYS 106 2HE LYS 106 -16.895 10.086 -6.290 658 HE3 LYS 106 3HE LYS 106 -17.482 10.126 -4.611 659 HZ1 LYS 106 3HZ LYS 106 -18.613 11.650 -6.889 660 HZ2 LYS 106 1HZ LYS 106 -19.102 11.825 -5.336 661 HZ3 LYS 106 2HZ LYS 106 -19.335 10.388 -6.088 662 H ARG 107 H ARG 107 -12.655 15.728 -5.763 663 HA ARG 107 HA ARG 107 -14.742 17.646 -4.796 664 HB2 ARG 107 2HB ARG 107 -12.422 17.444 -3.633 665 HB3 ARG 107 3HB ARG 107 -11.777 18.244 -5.076 666 HG2 ARG 107 2HG ARG 107 -13.514 20.077 -4.673 667 HG3 ARG 107 3HG ARG 107 -13.879 19.269 -3.140 668 HD2 ARG 107 2HD ARG 107 -11.343 19.496 -2.639 669 HD3 ARG 107 3HD ARG 107 -11.300 20.612 -4.014 670 HE ARG 107 HE ARG 107 -12.975 20.915 -1.543 671 HH11 ARG 107 1HH1 ARG 107 -11.042 22.668 -3.943 672 HH12 ARG 107 2HH1 ARG 107 -11.805 24.178 -3.442 673 HH21 ARG 107 2HH2 ARG 107 -13.140 24.297 -1.907 674 HH22 ARG 107 1HH2 ARG 107 -13.734 22.881 -1.026 Start of MODEL 19 1 H1 ALA 27 H1 ALA 27 11.327 7.543 5.451 2 H2 ALA 27 H2 ALA 27 10.641 8.101 6.833 3 H3 ALA 27 H3 ALA 27 11.176 6.551 6.771 4 HA ALA 27 HA ALA 27 12.854 8.948 6.550 5 HB1 ALA 27 1HB ALA 27 12.632 7.038 8.917 6 HB2 ALA 27 2HB ALA 27 13.759 8.398 8.758 7 HB3 ALA 27 3HB ALA 27 12.021 8.706 8.847 8 H THR 28 H THR 28 12.962 5.327 6.964 9 HA THR 28 HA THR 28 15.378 5.374 5.210 10 HB THR 28 HB THR 28 16.006 5.132 7.619 11 HG1 THR 28 1HG THR 28 17.559 3.731 7.105 12 HG21 THR 28 1HG2 THR 28 14.189 3.609 8.376 13 HG22 THR 28 2HG2 THR 28 15.804 2.958 8.688 14 HG23 THR 28 3HG2 THR 28 14.845 2.326 7.336 15 H GLN 29 H GLN 29 15.876 2.938 4.577 16 HA GLN 29 HA GLN 29 13.354 1.996 3.255 17 HB2 GLN 29 2HB GLN 29 15.985 2.782 2.088 18 HB3 GLN 29 3HB GLN 29 15.064 1.463 1.365 19 HG2 GLN 29 2HG GLN 29 14.269 3.333 0.271 20 HG3 GLN 29 3HG GLN 29 13.008 2.918 1.363 21 HE21 GLN 29 2HE2 GLN 29 12.887 6.313 2.353 22 HE22 GLN 29 1HE2 GLN 29 12.033 4.886 1.754 23 H THR 30 H THR 30 13.276 -0.103 2.501 24 HA THR 30 HA THR 30 15.404 -2.028 3.166 25 HB THR 30 HB THR 30 13.759 -3.826 3.410 26 HG1 THR 30 1HG THR 30 11.582 -3.221 3.736 27 HG21 THR 30 1HG2 THR 30 12.818 -3.221 5.645 28 HG22 THR 30 2HG2 THR 30 13.350 -1.558 5.377 29 HG23 THR 30 3HG2 THR 30 14.547 -2.858 5.496 30 H GLU 31 H GLU 31 15.224 -3.937 1.451 31 HA GLU 31 HA GLU 31 14.693 -2.932 -1.228 32 HB2 GLU 31 2HB GLU 31 15.273 -5.658 -0.017 33 HB3 GLU 31 3HB GLU 31 14.803 -5.486 -1.710 34 HG2 GLU 31 2HG GLU 31 16.675 -3.954 -2.136 35 HG3 GLU 31 3HG GLU 31 17.162 -4.047 -0.440 36 H GLY 32 H GLY 32 12.752 -4.506 1.231 37 HA2 GLY 32 2HA GLY 32 10.475 -5.241 -0.302 38 HA3 GLY 32 3HA GLY 32 10.532 -4.906 1.434 39 H GLU 33 H GLU 33 11.203 -2.153 1.531 40 HA GLU 33 HA GLU 33 8.908 -0.743 1.018 41 HB2 GLU 33 2HB GLU 33 11.248 -0.280 2.243 42 HB3 GLU 33 3HB GLU 33 11.637 0.583 0.781 43 HG2 GLU 33 2HG GLU 33 9.068 1.112 2.200 44 HG3 GLU 33 3HG GLU 33 10.553 1.672 2.940 45 H LEU 34 H LEU 34 11.739 -1.073 -1.133 46 HA LEU 34 HA LEU 34 10.730 0.509 -3.291 47 HB2 LEU 34 2HB LEU 34 12.669 -1.766 -3.640 48 HB3 LEU 34 3HB LEU 34 12.617 -0.215 -4.473 49 HG LEU 34 HG LEU 34 13.504 -0.771 -1.666 50 HD11 LEU 34 1HD1 LEU 34 15.733 -0.087 -2.452 51 HD12 LEU 34 2HD1 LEU 34 15.085 0.132 -4.092 52 HD13 LEU 34 3HD1 LEU 34 15.113 -1.480 -3.346 53 HD21 LEU 34 3HD2 LEU 34 13.494 1.892 -3.155 54 HD22 LEU 34 1HD2 LEU 34 14.216 1.606 -1.552 55 HD23 LEU 34 2HD2 LEU 34 12.466 1.497 -1.765 56 H ARG 35 H ARG 35 10.889 -3.055 -2.831 57 HA ARG 35 HA ARG 35 9.669 -3.924 -5.265 58 HB2 ARG 35 2HB ARG 35 10.829 -5.410 -3.727 59 HB3 ARG 35 3HB ARG 35 9.654 -5.085 -2.461 60 HG2 ARG 35 2HG ARG 35 8.383 -6.748 -3.154 61 HG3 ARG 35 3HG ARG 35 8.097 -5.969 -4.689 62 HD2 ARG 35 2HD ARG 35 8.905 -8.041 -5.284 63 HD3 ARG 35 3HD ARG 35 10.224 -6.959 -5.590 64 HE ARG 35 HE ARG 35 10.008 -8.878 -3.290 65 HH11 ARG 35 1HH1 ARG 35 12.255 -6.931 -5.253 66 HH12 ARG 35 2HH1 ARG 35 13.616 -7.757 -4.520 67 HH21 ARG 35 2HH2 ARG 35 13.304 -9.443 -3.100 68 HH22 ARG 35 1HH2 ARG 35 11.679 -9.865 -2.608 69 H VAL 36 H VAL 36 8.185 -3.080 -2.143 70 HA VAL 36 HA VAL 36 5.495 -3.688 -2.972 71 HB VAL 36 HB VAL 36 6.576 -1.966 -0.694 72 HG11 VAL 36 1HG1 VAL 36 4.369 -1.080 -1.165 73 HG12 VAL 36 2HG1 VAL 36 3.703 -2.695 -1.385 74 HG13 VAL 36 3HG1 VAL 36 4.227 -2.148 0.231 75 HG21 VAL 36 3HG2 VAL 36 5.194 -4.686 -0.703 76 HG22 VAL 36 1HG2 VAL 36 6.938 -4.460 -0.560 77 HG23 VAL 36 2HG2 VAL 36 5.880 -3.844 0.711 78 H THR 37 H THR 37 7.396 -0.605 -2.710 79 HA THR 37 HA THR 37 5.429 1.120 -3.719 80 HB THR 37 HB THR 37 8.423 1.294 -4.055 81 HG1 THR 37 1HG THR 37 8.058 1.388 -1.961 82 HG21 THR 37 1HG2 THR 37 8.061 3.766 -4.193 83 HG22 THR 37 2HG2 THR 37 6.315 3.463 -4.348 84 HG23 THR 37 3HG2 THR 37 7.456 2.881 -5.590 85 H GLN 38 H GLN 38 7.795 -0.788 -5.508 86 HA GLN 38 HA GLN 38 7.226 0.272 -8.117 87 HB2 GLN 38 2HB GLN 38 8.704 -2.097 -7.040 88 HB3 GLN 38 3HB GLN 38 8.136 -2.216 -8.688 89 HG2 GLN 38 2HG GLN 38 10.341 -1.470 -8.762 90 HG3 GLN 38 3HG GLN 38 9.293 -0.122 -9.123 91 HE21 GLN 38 2HE2 GLN 38 10.455 1.806 -6.298 92 HE22 GLN 38 1HE2 GLN 38 9.217 1.688 -7.552 93 H ILE 39 H ILE 39 5.685 -2.430 -6.316 94 HA ILE 39 HA ILE 39 3.991 -3.115 -8.624 95 HB ILE 39 HB ILE 39 3.818 -4.036 -5.732 96 HG12 ILE 39 2HG1 ILE 39 4.890 -5.582 -8.121 97 HG13 ILE 39 3HG1 ILE 39 5.948 -4.671 -7.060 98 HG21 ILE 39 1HG2 ILE 39 2.401 -4.849 -8.315 99 HG22 ILE 39 2HG2 ILE 39 2.456 -5.922 -6.912 100 HG23 ILE 39 3HG2 ILE 39 1.665 -4.357 -6.774 101 HD11 ILE 39 3HD1 ILE 39 4.209 -7.013 -6.201 102 HD12 ILE 39 1HD1 ILE 39 5.969 -6.967 -6.383 103 HD13 ILE 39 2HD1 ILE 39 5.185 -6.000 -5.114 104 H LEU 40 H LEU 40 3.716 -1.094 -5.700 105 HA LEU 40 HA LEU 40 0.933 -0.459 -5.988 106 HB2 LEU 40 2HB LEU 40 3.318 1.090 -4.878 107 HB3 LEU 40 3HB LEU 40 1.702 1.750 -4.938 108 HG LEU 40 HG LEU 40 2.720 -0.644 -3.368 109 HD11 LEU 40 1HD1 LEU 40 1.251 1.867 -2.481 110 HD12 LEU 40 2HD1 LEU 40 3.014 1.690 -2.511 111 HD13 LEU 40 3HD1 LEU 40 2.046 0.647 -1.452 112 HD21 LEU 40 3HD2 LEU 40 -0.183 0.134 -3.751 113 HD22 LEU 40 1HD2 LEU 40 0.406 -0.867 -2.403 114 HD23 LEU 40 2HD2 LEU 40 0.574 -1.446 -4.058 115 H LYS 41 H LYS 41 3.770 0.945 -7.640 116 HA LYS 41 HA LYS 41 2.285 2.912 -9.032 117 HB2 LYS 41 2HB LYS 41 4.773 1.604 -10.150 118 HB3 LYS 41 3HB LYS 41 4.087 3.191 -10.567 119 HG2 LYS 41 2HG LYS 41 4.280 3.389 -7.850 120 HG3 LYS 41 3HG LYS 41 5.581 2.292 -8.212 121 HD2 LYS 41 2HD LYS 41 6.518 3.972 -9.847 122 HD3 LYS 41 3HD LYS 41 5.312 5.136 -9.260 123 HE2 LYS 41 2HE LYS 41 6.176 4.977 -6.990 124 HE3 LYS 41 3HE LYS 41 7.198 3.605 -7.437 125 HZ1 LYS 41 3HZ LYS 41 7.621 6.304 -8.602 126 HZ2 LYS 41 1HZ LYS 41 8.627 5.021 -8.686 127 HZ3 LYS 41 2HZ LYS 41 8.418 5.758 -7.254 128 H GLU 42 H GLU 42 2.392 -0.565 -9.669 129 HA GLU 42 HA GLU 42 1.255 -0.333 -12.269 130 HB2 GLU 42 2HB GLU 42 2.255 -2.316 -10.400 131 HB3 GLU 42 3HB GLU 42 1.359 -2.854 -11.672 132 HG2 GLU 42 2HG GLU 42 2.972 -1.641 -13.115 133 HG3 GLU 42 3HG GLU 42 3.999 -1.381 -11.721 134 H LYS 43 H LYS 43 0.261 -1.498 -8.991 135 HA LYS 43 HA LYS 43 -2.358 -2.041 -10.070 136 HB2 LYS 43 2HB LYS 43 -1.551 -2.005 -7.138 137 HB3 LYS 43 3HB LYS 43 -3.054 -2.589 -7.846 138 HG2 LYS 43 2HG LYS 43 -0.342 -3.859 -8.047 139 HG3 LYS 43 3HG LYS 43 -1.770 -4.482 -7.280 140 HD2 LYS 43 2HD LYS 43 -2.792 -5.183 -9.199 141 HD3 LYS 43 3HD LYS 43 -2.064 -3.968 -10.207 142 HE2 LYS 43 2HE LYS 43 0.177 -5.153 -9.890 143 HE3 LYS 43 3HE LYS 43 -0.760 -6.503 -9.238 144 HZ1 LYS 43 3HZ LYS 43 -1.022 -5.307 -11.943 145 HZ2 LYS 43 1HZ LYS 43 -2.039 -6.460 -11.357 146 HZ3 LYS 43 2HZ LYS 43 -0.453 -6.812 -11.591 147 H PHE 44 H PHE 44 -0.843 0.734 -8.735 148 HA PHE 44 HA PHE 44 -3.337 2.156 -9.251 149 HB2 PHE 44 2HB PHE 44 -1.622 2.713 -6.782 150 HB3 PHE 44 3HB PHE 44 -3.195 3.402 -7.135 151 HD1 PHE 44 1HD PHE 44 -1.411 0.520 -5.758 152 HD2 PHE 44 2HD PHE 44 -5.268 2.027 -6.957 153 HE1 PHE 44 1HE PHE 44 -2.516 -1.358 -4.550 154 HE2 PHE 44 2HE PHE 44 -6.369 0.159 -5.743 155 HZ PHE 44 HZ PHE 44 -4.996 -1.534 -4.568 156 HA PRO 45 HA PRO 45 -0.085 4.775 -11.225 157 HB2 PRO 45 2HB PRO 45 -0.804 4.360 -13.831 158 HB3 PRO 45 3HB PRO 45 0.428 3.397 -12.996 159 HG2 PRO 45 2HG PRO 45 -2.494 2.705 -13.423 160 HG3 PRO 45 3HG PRO 45 -1.066 1.642 -13.636 161 HD2 PRO 45 2HD PRO 45 -2.496 1.453 -11.424 162 HD3 PRO 45 3HD PRO 45 -0.771 1.407 -11.300 163 H ARG 46 H ARG 46 -3.619 4.351 -11.466 164 HA ARG 46 HA ARG 46 -3.935 7.026 -12.590 165 HB2 ARG 46 2HB ARG 46 -6.051 5.183 -11.488 166 HB3 ARG 46 3HB ARG 46 -6.295 6.587 -12.492 167 HG2 ARG 46 2HG ARG 46 -4.797 4.087 -13.411 168 HG3 ARG 46 3HG ARG 46 -6.508 4.370 -13.600 169 HD2 ARG 46 2HD ARG 46 -5.460 4.832 -15.676 170 HD3 ARG 46 3HD ARG 46 -6.121 6.315 -15.018 171 HE ARG 46 HE ARG 46 -4.004 7.223 -14.834 172 HH11 ARG 46 1HH1 ARG 46 -3.531 3.811 -15.704 173 HH12 ARG 46 2HH1 ARG 46 -1.817 4.099 -15.983 174 HH21 ARG 46 2HH2 ARG 46 -0.949 6.076 -15.862 175 HH22 ARG 46 1HH2 ARG 46 -1.876 7.407 -15.199 176 H ALA 47 H ALA 47 -3.553 5.728 -9.450 177 HA ALA 47 HA ALA 47 -4.940 7.513 -7.766 178 HB1 ALA 47 1HB ALA 47 -3.296 6.790 -6.093 179 HB2 ALA 47 2HB ALA 47 -3.845 5.430 -7.067 180 HB3 ALA 47 3HB ALA 47 -2.245 6.171 -7.358 181 H THR 48 H THR 48 -4.430 9.329 -6.626 182 HA THR 48 HA THR 48 -2.630 11.246 -8.026 183 HB THR 48 HB THR 48 -3.686 12.933 -6.654 184 HG1 THR 48 1HG THR 48 -5.299 12.451 -5.300 185 HG21 THR 48 1HG2 THR 48 -5.759 11.134 -7.994 186 HG22 THR 48 2HG2 THR 48 -4.775 12.379 -8.800 187 HG23 THR 48 3HG2 THR 48 -5.971 12.841 -7.575 188 H ALA 49 H ALA 49 -2.990 9.470 -4.958 189 HA ALA 49 HA ALA 49 -0.118 10.160 -4.459 190 HB1 ALA 49 1HB ALA 49 -2.239 9.549 -2.367 191 HB2 ALA 49 2HB ALA 49 -0.514 9.812 -2.061 192 HB3 ALA 49 3HB ALA 49 -1.503 11.136 -2.695 193 H ILE 50 H ILE 50 1.274 8.551 -4.078 194 HA ILE 50 HA ILE 50 0.553 5.868 -3.228 195 HB ILE 50 HB ILE 50 2.196 4.962 -5.109 196 HG12 ILE 50 2HG1 ILE 50 0.768 7.059 -6.787 197 HG13 ILE 50 3HG1 ILE 50 2.404 7.303 -6.175 198 HG21 ILE 50 1HG2 ILE 50 -0.731 5.365 -5.747 199 HG22 ILE 50 2HG2 ILE 50 0.335 4.088 -6.351 200 HG23 ILE 50 3HG2 ILE 50 -0.077 4.142 -4.637 201 HD11 ILE 50 3HD1 ILE 50 2.501 6.472 -8.451 202 HD12 ILE 50 1HD1 ILE 50 3.180 5.278 -7.334 203 HD13 ILE 50 2HD1 ILE 50 1.553 5.038 -8.022 204 H LYS 51 H LYS 51 1.858 5.822 -1.490 205 HA LYS 51 HA LYS 51 4.781 5.848 -1.915 206 HB2 LYS 51 2HB LYS 51 5.190 7.420 -0.123 207 HB3 LYS 51 3HB LYS 51 4.327 8.140 -1.467 208 HG2 LYS 51 2HG LYS 51 2.179 7.561 0.063 209 HG3 LYS 51 3HG LYS 51 3.400 7.566 1.343 210 HD2 LYS 51 2HD LYS 51 2.559 9.788 1.258 211 HD3 LYS 51 3HD LYS 51 4.120 9.849 0.401 212 HE2 LYS 51 2HE LYS 51 2.817 9.515 -1.763 213 HE3 LYS 51 3HE LYS 51 1.324 9.667 -0.833 214 HZ1 LYS 51 3HZ LYS 51 2.096 11.773 -1.896 215 HZ2 LYS 51 1HZ LYS 51 3.429 11.757 -0.946 216 HZ3 LYS 51 2HZ LYS 51 1.940 11.921 -0.266 217 H VAL 52 H VAL 52 6.000 4.933 -0.224 218 HA VAL 52 HA VAL 52 4.561 3.233 1.761 219 HB VAL 52 HB VAL 52 6.953 2.315 0.131 220 HG11 VAL 52 1HG1 VAL 52 6.731 1.107 2.243 221 HG12 VAL 52 2HG1 VAL 52 5.025 0.771 1.909 222 HG13 VAL 52 3HG1 VAL 52 6.303 0.050 0.905 223 HG21 VAL 52 3HG2 VAL 52 5.476 0.857 -1.142 224 HG22 VAL 52 1HG2 VAL 52 4.045 1.569 -0.339 225 HG23 VAL 52 2HG2 VAL 52 5.072 2.530 -1.438 226 H THR 53 H THR 53 5.605 2.985 3.753 227 HA THR 53 HA THR 53 8.454 3.918 3.966 228 HB THR 53 HB THR 53 6.233 4.321 6.014 229 HG1 THR 53 1HG THR 53 7.372 6.139 4.195 230 HG21 THR 53 1HG2 THR 53 7.720 5.818 7.169 231 HG22 THR 53 2HG2 THR 53 9.013 5.487 5.985 232 HG23 THR 53 3HG2 THR 53 8.396 4.205 7.060 233 H ASP 54 H ASP 54 9.798 2.534 4.800 234 HA ASP 54 HA ASP 54 8.816 0.113 6.233 235 HB2 ASP 54 2HB ASP 54 10.895 -0.126 4.859 236 HB3 ASP 54 3HB ASP 54 11.549 1.314 5.499 237 H ILE 55 H ILE 55 8.441 -0.014 8.181 238 HA ILE 55 HA ILE 55 9.537 1.929 10.149 239 HB ILE 55 HB ILE 55 7.406 2.065 11.266 240 HG12 ILE 55 2HG1 ILE 55 6.344 0.232 9.071 241 HG13 ILE 55 3HG1 ILE 55 6.313 0.053 10.748 242 HG21 ILE 55 1HG2 ILE 55 8.152 3.656 9.424 243 HG22 ILE 55 2HG2 ILE 55 6.984 2.841 8.365 244 HG23 ILE 55 3HG2 ILE 55 6.435 3.686 9.826 245 HD11 ILE 55 3HD1 ILE 55 4.745 2.156 9.160 246 HD12 ILE 55 1HD1 ILE 55 4.084 0.684 9.888 247 HD13 ILE 55 2HD1 ILE 55 4.694 1.990 10.929 248 H SER 56 H SER 56 10.462 -0.620 9.270 249 HA SER 56 HA SER 56 10.511 -2.126 11.807 250 HB2 SER 56 2HB SER 56 8.820 -3.068 10.447 251 HB3 SER 56 3HB SER 56 9.904 -3.258 9.099 252 HG SER 56 HG SER 56 10.608 -4.381 11.606 253 H GLY 57 H GLY 57 12.501 -0.560 11.629 254 HA2 GLY 57 2HA GLY 57 14.740 -1.242 10.057 255 HA3 GLY 57 3HA GLY 57 14.757 -0.376 11.572 256 H GLY 58 H GLY 58 13.455 -3.476 12.013 257 HA2 GLY 58 2HA GLY 58 16.094 -4.752 12.636 258 HA3 GLY 58 3HA GLY 58 14.675 -4.953 13.659 259 H CYS 59 H CYS 59 13.406 -4.949 10.584 260 HA CYS 59 HA CYS 59 13.975 -7.764 9.880 261 HB2 CYS 59 2HB CYS 59 12.261 -7.718 11.841 262 HB3 CYS 59 3HB CYS 59 11.136 -6.991 10.705 263 HG CYS 59 HG CYS 59 11.594 -8.939 8.834 264 H GLY 60 H GLY 60 12.258 -4.746 9.229 265 HA2 GLY 60 2HA GLY 60 11.008 -3.935 7.616 266 HA3 GLY 60 3HA GLY 60 11.793 -5.020 6.435 267 H ALA 61 H ALA 61 9.689 -5.613 9.275 268 HA ALA 61 HA ALA 61 7.806 -7.260 7.639 269 HB1 ALA 61 1HB ALA 61 8.969 -8.378 9.484 270 HB2 ALA 61 2HB ALA 61 8.352 -7.164 10.633 271 HB3 ALA 61 3HB ALA 61 7.235 -8.277 9.808 272 H MET 62 H MET 62 7.914 -4.248 9.377 273 HA MET 62 HA MET 62 4.993 -3.862 8.969 274 HB2 MET 62 2HB MET 62 6.917 -2.456 10.885 275 HB3 MET 62 3HB MET 62 5.344 -1.833 10.444 276 HG2 MET 62 2HG MET 62 4.237 -3.067 11.713 277 HG3 MET 62 3HG MET 62 5.105 -4.577 11.350 278 HE1 MET 62 3HE MET 62 7.322 -5.306 12.558 279 HE2 MET 62 1HE MET 62 8.147 -3.734 12.394 280 HE3 MET 62 2HE MET 62 8.014 -4.501 13.984 281 H TYR 63 H TYR 63 4.285 -2.199 7.729 282 HA TYR 63 HA TYR 63 6.156 -0.128 6.864 283 HB2 TYR 63 2HB TYR 63 4.597 -1.759 4.863 284 HB3 TYR 63 3HB TYR 63 5.359 -0.288 4.509 285 HD1 TYR 63 HD1 TYR 63 5.793 -3.821 5.396 286 HD2 TYR 63 HD2 TYR 63 7.865 -0.289 4.034 287 HE1 TYR 63 HE1 TYR 63 7.804 -5.183 4.936 288 HE2 TYR 63 HE2 TYR 63 9.910 -1.616 3.725 289 HH TYR 63 HH TYR 63 10.004 -5.129 4.540 290 H GLU 64 H GLU 64 5.214 1.759 6.271 291 HA GLU 64 HA GLU 64 2.304 2.230 6.690 292 HB2 GLU 64 2HB GLU 64 4.536 3.729 7.327 293 HB3 GLU 64 3HB GLU 64 4.130 4.409 5.745 294 HG2 GLU 64 2HG GLU 64 1.865 4.908 6.585 295 HG3 GLU 64 3HG GLU 64 2.289 4.121 8.100 296 H ILE 65 H ILE 65 0.916 2.508 4.864 297 HA ILE 65 HA ILE 65 2.176 3.079 2.211 298 HB ILE 65 HB ILE 65 0.032 0.987 2.727 299 HG12 ILE 65 2HG1 ILE 65 2.778 0.763 1.425 300 HG13 ILE 65 3HG1 ILE 65 2.378 0.229 3.058 301 HG21 ILE 65 1HG2 ILE 65 -0.007 0.738 0.210 302 HG22 ILE 65 2HG2 ILE 65 -0.622 2.277 0.747 303 HG23 ILE 65 3HG2 ILE 65 1.029 2.179 0.098 304 HD11 ILE 65 3HD1 ILE 65 0.698 -1.366 2.081 305 HD12 ILE 65 1HD1 ILE 65 1.335 -0.965 0.464 306 HD13 ILE 65 2HD1 ILE 65 2.392 -1.701 1.664 307 H LYS 66 H LYS 66 1.234 4.751 1.167 308 HA LYS 66 HA LYS 66 -1.518 5.628 1.966 309 HB2 LYS 66 2HB LYS 66 1.045 7.223 1.940 310 HB3 LYS 66 3HB LYS 66 -0.495 8.031 1.611 311 HG2 LYS 66 2HG LYS 66 -1.360 7.530 3.728 312 HG3 LYS 66 3HG LYS 66 -0.155 6.264 4.050 313 HD2 LYS 66 2HD LYS 66 1.594 7.948 4.298 314 HD3 LYS 66 3HD LYS 66 0.415 9.245 3.957 315 HE2 LYS 66 2HE LYS 66 -0.845 8.777 5.931 316 HE3 LYS 66 3HE LYS 66 -0.082 7.200 6.151 317 HZ1 LYS 66 3HZ LYS 66 0.768 8.904 7.694 318 HZ2 LYS 66 1HZ LYS 66 1.372 9.771 6.450 319 HZ3 LYS 66 2HZ LYS 66 1.956 8.262 6.767 320 H ILE 67 H ILE 67 -2.854 5.531 0.399 321 HA ILE 67 HA ILE 67 -1.988 6.149 -2.333 322 HB ILE 67 HB ILE 67 -4.076 4.087 -1.723 323 HG12 ILE 67 2HG1 ILE 67 -1.078 3.789 -1.665 324 HG13 ILE 67 3HG1 ILE 67 -2.324 3.074 -0.726 325 HG21 ILE 67 1HG2 ILE 67 -2.406 4.701 -4.185 326 HG22 ILE 67 2HG2 ILE 67 -3.621 3.405 -4.058 327 HG23 ILE 67 3HG2 ILE 67 -4.124 5.072 -3.985 328 HD11 ILE 67 3HD1 ILE 67 -2.854 1.587 -2.705 329 HD12 ILE 67 1HD1 ILE 67 -1.520 2.371 -3.589 330 HD13 ILE 67 2HD1 ILE 67 -1.167 1.458 -2.127 331 H GLU 68 H GLU 68 -3.757 7.140 -3.677 332 HA GLU 68 HA GLU 68 -6.428 7.631 -2.507 333 HB2 GLU 68 2HB GLU 68 -4.990 9.478 -1.646 334 HB3 GLU 68 3HB GLU 68 -4.470 9.789 -3.187 335 HG2 GLU 68 2HG GLU 68 -6.653 10.712 -3.867 336 HG3 GLU 68 3HG GLU 68 -7.423 10.017 -2.458 337 H SER 69 H SER 69 -7.906 7.401 -4.245 338 HA SER 69 HA SER 69 -7.086 8.066 -7.017 339 HB2 SER 69 2HB SER 69 -6.005 5.797 -6.428 340 HB3 SER 69 3HB SER 69 -7.620 5.175 -6.202 341 HG SER 69 HG SER 69 -7.046 4.693 -8.267 342 H GLU 70 H GLU 70 -8.677 8.162 -8.447 343 HA GLU 70 HA GLU 70 -11.253 8.744 -7.584 344 HB2 GLU 70 2HB GLU 70 -9.848 9.031 -9.894 345 HB3 GLU 70 3HB GLU 70 -10.978 7.795 -10.406 346 HG2 GLU 70 2HG GLU 70 -11.745 10.369 -9.008 347 HG3 GLU 70 3HG GLU 70 -11.556 10.266 -10.758 348 H GLU 71 H GLU 71 -9.969 5.633 -8.578 349 HA GLU 71 HA GLU 71 -12.387 4.184 -8.901 350 HB2 GLU 71 2HB GLU 71 -11.035 2.278 -9.042 351 HB3 GLU 71 3HB GLU 71 -10.054 3.599 -9.678 352 HG2 GLU 71 2HG GLU 71 -9.240 3.712 -7.102 353 HG3 GLU 71 3HG GLU 71 -9.788 2.051 -7.103 354 H PHE 72 H PHE 72 -10.956 5.260 -5.912 355 HA PHE 72 HA PHE 72 -11.922 2.962 -4.375 356 HB2 PHE 72 2HB PHE 72 -10.410 5.501 -3.794 357 HB3 PHE 72 3HB PHE 72 -11.051 4.589 -2.487 358 HD1 PHE 72 1HD PHE 72 -10.539 1.731 -3.261 359 HD2 PHE 72 2HD PHE 72 -8.114 5.273 -3.665 360 HE1 PHE 72 1HE PHE 72 -8.506 0.342 -3.137 361 HE2 PHE 72 2HE PHE 72 -6.070 3.864 -3.590 362 HZ PHE 72 HZ PHE 72 -6.263 1.407 -3.336 363 H LYS 73 H LYS 73 -13.628 5.445 -5.599 364 HA LYS 73 HA LYS 73 -15.183 6.426 -3.366 365 HB2 LYS 73 2HB LYS 73 -16.689 7.321 -5.137 366 HB3 LYS 73 3HB LYS 73 -15.027 7.722 -5.441 367 HG2 LYS 73 2HG LYS 73 -14.935 5.701 -7.042 368 HG3 LYS 73 3HG LYS 73 -16.682 5.551 -6.805 369 HD2 LYS 73 2HD LYS 73 -17.076 7.740 -7.639 370 HD3 LYS 73 3HD LYS 73 -15.328 8.107 -7.742 371 HE2 LYS 73 2HE LYS 73 -15.062 6.273 -9.397 372 HE3 LYS 73 3HE LYS 73 -16.804 5.967 -9.307 373 HZ1 LYS 73 3HZ LYS 73 -16.433 7.372 -11.175 374 HZ2 LYS 73 1HZ LYS 73 -15.437 8.377 -10.326 375 HZ3 LYS 73 2HZ LYS 73 -17.056 8.373 -10.018 376 H GLU 74 H GLU 74 -15.443 3.609 -5.265 377 HA GLU 74 HA GLU 74 -18.253 3.102 -4.464 378 HB2 GLU 74 2HB GLU 74 -18.468 1.853 -6.495 379 HB3 GLU 74 3HB GLU 74 -17.766 3.439 -6.839 380 HG2 GLU 74 2HG GLU 74 -15.464 2.234 -6.743 381 HG3 GLU 74 3HG GLU 74 -16.388 0.735 -6.856 382 H LYS 75 H LYS 75 -15.982 2.613 -2.705 383 HA LYS 75 HA LYS 75 -16.137 -0.343 -2.272 384 HB2 LYS 75 2HB LYS 75 -13.716 1.486 -2.002 385 HB3 LYS 75 3HB LYS 75 -13.722 -0.233 -1.619 386 HG2 LYS 75 2HG LYS 75 -14.129 0.991 -4.378 387 HG3 LYS 75 3HG LYS 75 -12.614 0.357 -3.755 388 HD2 LYS 75 2HD LYS 75 -13.200 -1.828 -3.956 389 HD3 LYS 75 3HD LYS 75 -14.939 -1.553 -3.706 390 HE2 LYS 75 2HE LYS 75 -15.118 -0.408 -5.851 391 HE3 LYS 75 3HE LYS 75 -13.398 -0.640 -6.174 392 HZ1 LYS 75 3HZ LYS 75 -15.471 -2.769 -5.981 393 HZ2 LYS 75 1HZ LYS 75 -13.877 -3.103 -6.080 394 HZ3 LYS 75 2HZ LYS 75 -14.655 -2.329 -7.328 395 H ARG 76 H ARG 76 -16.406 -1.020 -0.146 396 HA ARG 76 HA ARG 76 -16.842 0.811 1.965 397 HB2 ARG 76 2HB ARG 76 -15.829 -1.970 2.433 398 HB3 ARG 76 3HB ARG 76 -16.965 -0.975 3.262 399 HG2 ARG 76 2HG ARG 76 -18.650 -1.304 1.385 400 HG3 ARG 76 3HG ARG 76 -17.558 -2.597 0.814 401 HD2 ARG 76 2HD ARG 76 -17.551 -3.428 3.233 402 HD3 ARG 76 3HD ARG 76 -18.912 -2.330 3.503 403 HE ARG 76 HE ARG 76 -19.692 -3.917 1.324 404 HH11 ARG 76 1HH1 ARG 76 -18.718 -4.505 4.655 405 HH12 ARG 76 2HH1 ARG 76 -19.569 -6.019 4.747 406 HH21 ARG 76 2HH2 ARG 76 -20.631 -6.802 3.048 407 HH22 ARG 76 1HH2 ARG 76 -20.901 -5.838 1.598 408 H THR 77 H THR 77 -15.396 0.980 3.925 409 HA THR 77 HA THR 77 -12.701 1.584 3.606 410 HB THR 77 HB THR 77 -14.000 0.176 5.937 411 HG1 THR 77 1HG THR 77 -14.486 2.181 6.654 412 HG21 THR 77 1HG2 THR 77 -11.512 1.976 5.805 413 HG22 THR 77 2HG2 THR 77 -11.549 0.271 6.287 414 HG23 THR 77 3HG2 THR 77 -12.310 1.490 7.320 415 H VAL 78 H VAL 78 -13.855 -1.589 4.736 416 HA VAL 78 HA VAL 78 -11.402 -2.961 4.593 417 HB VAL 78 HB VAL 78 -13.296 -3.715 5.834 418 HG11 VAL 78 1HG1 VAL 78 -15.262 -4.742 4.864 419 HG12 VAL 78 2HG1 VAL 78 -15.120 -3.060 4.352 420 HG13 VAL 78 3HG1 VAL 78 -14.691 -4.381 3.225 421 HG21 VAL 78 3HG2 VAL 78 -11.604 -5.381 5.156 422 HG22 VAL 78 1HG2 VAL 78 -13.211 -6.095 5.372 423 HG23 VAL 78 2HG2 VAL 78 -12.590 -5.799 3.736 424 H GLN 79 H GLN 79 -13.826 -2.518 2.005 425 HA GLN 79 HA GLN 79 -12.386 -4.209 0.126 426 HB2 GLN 79 2HB GLN 79 -14.525 -2.130 -0.438 427 HB3 GLN 79 3HB GLN 79 -13.781 -3.215 -1.620 428 HG2 GLN 79 2HG GLN 79 -14.509 -5.023 0.248 429 HG3 GLN 79 3HG GLN 79 -15.782 -3.858 0.484 430 HE21 GLN 79 2HE2 GLN 79 -17.379 -4.710 -2.614 431 HE22 GLN 79 1HE2 GLN 79 -17.196 -3.359 -1.520 432 H GLN 80 H GLN 80 -12.197 -0.694 0.825 433 HA GLN 80 HA GLN 80 -10.342 -0.094 -1.309 434 HB2 GLN 80 2HB GLN 80 -10.630 1.193 1.443 435 HB3 GLN 80 3HB GLN 80 -9.578 1.761 0.151 436 HG2 GLN 80 2HG GLN 80 -11.572 2.131 -1.302 437 HG3 GLN 80 3HG GLN 80 -12.608 1.663 0.035 438 HE21 GLN 80 2HE2 GLN 80 -12.576 5.310 0.318 439 HE22 GLN 80 1HE2 GLN 80 -13.206 4.136 -0.825 440 H HIS 81 H HIS 81 -9.780 -1.008 2.157 441 HA HIS 81 HA HIS 81 -6.959 -1.225 2.006 442 HB2 HIS 81 2HB HIS 81 -8.978 -2.743 3.708 443 HB3 HIS 81 3HB HIS 81 -7.238 -2.841 3.926 444 HD1 HIS 81 1HD HIS 81 -9.455 -1.536 6.044 445 HD2 HIS 81 2HD HIS 81 -6.589 0.354 3.606 446 HE1 HIS 81 1HE HIS 81 -8.939 0.713 7.127 447 H GLN 82 H GLN 82 -9.341 -3.902 1.505 448 HA GLN 82 HA GLN 82 -7.677 -5.984 0.886 449 HB2 GLN 82 2HB GLN 82 -9.985 -6.331 1.129 450 HB3 GLN 82 3HB GLN 82 -10.389 -5.174 -0.132 451 HG2 GLN 82 2HG GLN 82 -10.815 -7.445 -0.832 452 HG3 GLN 82 3HG GLN 82 -9.664 -6.646 -1.883 453 HE21 GLN 82 2HE2 GLN 82 -7.716 -9.577 -1.713 454 HE22 GLN 82 1HE2 GLN 82 -8.702 -8.508 -2.710 455 H MET 83 H MET 83 -8.708 -3.454 -1.533 456 HA MET 83 HA MET 83 -7.385 -4.747 -3.718 457 HB2 MET 83 2HB MET 83 -7.652 -1.734 -3.521 458 HB3 MET 83 3HB MET 83 -7.624 -2.736 -4.962 459 HG2 MET 83 2HG MET 83 -9.866 -3.669 -3.603 460 HG3 MET 83 3HG MET 83 -9.860 -1.954 -3.222 461 HE1 MET 83 3HE MET 83 -10.127 0.002 -5.077 462 HE2 MET 83 1HE MET 83 -8.700 -0.626 -5.941 463 HE3 MET 83 2HE MET 83 -10.214 -0.331 -6.817 464 H VAL 84 H VAL 84 -6.160 -2.394 -1.356 465 HA VAL 84 HA VAL 84 -3.530 -2.098 -2.609 466 HB VAL 84 HB VAL 84 -4.236 -1.471 0.262 467 HG11 VAL 84 1HG1 VAL 84 -1.931 -1.082 -0.069 468 HG12 VAL 84 2HG1 VAL 84 -2.186 -0.449 -1.698 469 HG13 VAL 84 3HG1 VAL 84 -2.649 0.546 -0.304 470 HG21 VAL 84 3HG2 VAL 84 -4.753 0.302 -2.129 471 HG22 VAL 84 1HG2 VAL 84 -5.962 -0.396 -1.024 472 HG23 VAL 84 2HG2 VAL 84 -4.842 0.792 -0.412 473 H ASN 85 H ASN 85 -4.956 -4.199 -0.159 474 HA ASN 85 HA ASN 85 -2.525 -5.353 0.909 475 HB2 ASN 85 2HB ASN 85 -5.473 -5.991 0.917 476 HB3 ASN 85 3HB ASN 85 -4.342 -7.249 1.414 477 HD21 ASN 85 2HD2 ASN 85 -4.935 -3.993 3.800 478 HD22 ASN 85 1HD2 ASN 85 -5.166 -3.881 2.072 479 H GLN 86 H GLN 86 -4.878 -6.625 -1.659 480 HA GLN 86 HA GLN 86 -3.415 -8.949 -2.195 481 HB2 GLN 86 2HB GLN 86 -5.839 -8.018 -2.617 482 HB3 GLN 86 3HB GLN 86 -5.161 -7.241 -4.019 483 HG2 GLN 86 2HG GLN 86 -6.118 -9.149 -4.783 484 HG3 GLN 86 3HG GLN 86 -4.377 -9.474 -4.794 485 HE21 GLN 86 2HE2 GLN 86 -5.320 -12.654 -3.370 486 HE22 GLN 86 1HE2 GLN 86 -4.446 -11.853 -4.647 487 H ALA 87 H ALA 87 -2.872 -5.673 -3.241 488 HA ALA 87 HA ALA 87 -1.470 -5.969 -5.688 489 HB1 ALA 87 1HB ALA 87 -2.220 -3.821 -4.705 490 HB2 ALA 87 2HB ALA 87 -0.942 -3.956 -3.473 491 HB3 ALA 87 3HB ALA 87 -0.510 -3.806 -5.180 492 H LEU 88 H LEU 88 -0.266 -6.142 -2.315 493 HA LEU 88 HA LEU 88 2.316 -7.230 -3.343 494 HB2 LEU 88 2HB LEU 88 3.543 -6.040 -1.888 495 HB3 LEU 88 3HB LEU 88 2.394 -4.902 -2.552 496 HG LEU 88 HG LEU 88 2.589 -4.257 -0.346 497 HD11 LEU 88 1HD1 LEU 88 0.529 -4.554 0.779 498 HD12 LEU 88 2HD1 LEU 88 0.215 -6.084 -0.043 499 HD13 LEU 88 3HD1 LEU 88 0.190 -4.558 -0.960 500 HD21 LEU 88 3HD2 LEU 88 2.260 -7.040 0.804 501 HD22 LEU 88 1HD2 LEU 88 2.789 -5.550 1.588 502 HD23 LEU 88 2HD2 LEU 88 3.828 -6.294 0.360 503 H LYS 89 H LYS 89 -0.339 -8.296 -1.786 504 HA LYS 89 HA LYS 89 0.428 -9.567 0.539 505 HB2 LYS 89 2HB LYS 89 -1.889 -9.553 -0.188 506 HB3 LYS 89 3HB LYS 89 -1.512 -10.428 -1.676 507 HG2 LYS 89 2HG LYS 89 -1.131 -12.449 -0.590 508 HG3 LYS 89 3HG LYS 89 -0.830 -11.725 0.956 509 HD2 LYS 89 2HD LYS 89 -2.876 -12.801 1.233 510 HD3 LYS 89 3HD LYS 89 -3.364 -11.115 1.004 511 HE2 LYS 89 2HE LYS 89 -3.908 -11.583 -1.362 512 HE3 LYS 89 3HE LYS 89 -3.262 -13.223 -1.199 513 HZ1 LYS 89 3HZ LYS 89 -5.682 -12.162 0.166 514 HZ2 LYS 89 1HZ LYS 89 -5.011 -13.643 0.483 515 HZ3 LYS 89 2HZ LYS 89 -5.602 -13.299 -1.005 516 H GLU 90 H GLU 90 1.157 -10.643 -2.806 517 HA GLU 90 HA GLU 90 1.975 -13.194 -1.766 518 HB2 GLU 90 2HB GLU 90 1.622 -11.888 -4.440 519 HB3 GLU 90 3HB GLU 90 2.606 -13.305 -4.324 520 HG2 GLU 90 2HG GLU 90 0.732 -14.556 -3.272 521 HG3 GLU 90 3HG GLU 90 -0.261 -13.091 -3.311 522 H GLU 91 H GLU 91 3.466 -10.185 -2.005 523 HA GLU 91 HA GLU 91 6.257 -11.168 -2.260 524 HB2 GLU 91 2HB GLU 91 4.806 -8.530 -2.495 525 HB3 GLU 91 3HB GLU 91 6.458 -8.518 -1.947 526 HG2 GLU 91 2HG GLU 91 6.093 -8.139 -4.380 527 HG3 GLU 91 3HG GLU 91 7.297 -9.349 -3.965 528 H ILE 92 H ILE 92 4.436 -8.923 -0.070 529 HA ILE 92 HA ILE 92 5.850 -10.121 2.281 530 HB ILE 92 HB ILE 92 4.836 -7.276 2.055 531 HG12 ILE 92 2HG1 ILE 92 6.646 -7.573 0.377 532 HG13 ILE 92 3HG1 ILE 92 6.924 -6.410 1.616 533 HG21 ILE 92 1HG2 ILE 92 4.941 -8.122 4.309 534 HG22 ILE 92 2HG2 ILE 92 6.604 -8.690 4.080 535 HG23 ILE 92 3HG2 ILE 92 6.240 -6.945 4.066 536 HD11 ILE 92 3HD1 ILE 92 8.490 -7.915 2.776 537 HD12 ILE 92 1HD1 ILE 92 8.095 -9.227 1.637 538 HD13 ILE 92 2HD1 ILE 92 8.939 -7.771 1.067 539 H LYS 93 H LYS 93 4.133 -11.676 2.606 540 HA LYS 93 HA LYS 93 1.445 -10.820 2.577 541 HB2 LYS 93 2HB LYS 93 0.970 -13.038 3.170 542 HB3 LYS 93 3HB LYS 93 2.364 -13.128 2.094 543 HG2 LYS 93 2HG LYS 93 3.806 -13.337 4.169 544 HG3 LYS 93 3HG LYS 93 2.325 -13.433 5.121 545 HD2 LYS 93 2HD LYS 93 3.115 -15.360 2.883 546 HD3 LYS 93 3HD LYS 93 3.342 -15.634 4.613 547 HE2 LYS 93 2HE LYS 93 0.804 -15.248 4.865 548 HE3 LYS 93 3HE LYS 93 0.711 -15.370 3.093 549 HZ1 LYS 93 3HZ LYS 93 1.760 -17.425 4.942 550 HZ2 LYS 93 1HZ LYS 93 1.726 -17.574 3.286 551 HZ3 LYS 93 2HZ LYS 93 0.327 -17.503 4.158 552 H GLU 94 H GLU 94 3.710 -10.578 5.086 553 HA GLU 94 HA GLU 94 2.360 -10.844 7.449 554 HB2 GLU 94 2HB GLU 94 4.758 -9.360 6.435 555 HB3 GLU 94 3HB GLU 94 4.340 -9.368 8.095 556 HG2 GLU 94 2HG GLU 94 5.946 -10.994 8.000 557 HG3 GLU 94 3HG GLU 94 4.422 -11.852 8.167 558 H MET 95 H MET 95 0.516 -9.269 5.892 559 HA MET 95 HA MET 95 0.781 -6.492 6.408 560 HB2 MET 95 2HB MET 95 -1.557 -8.122 5.424 561 HB3 MET 95 3HB MET 95 -1.553 -6.353 5.447 562 HG2 MET 95 2HG MET 95 0.351 -6.215 3.997 563 HG3 MET 95 3HG MET 95 0.623 -7.954 4.036 564 HE1 MET 95 3HE MET 95 -1.880 -9.411 3.694 565 HE2 MET 95 1HE MET 95 -2.211 -9.443 1.964 566 HE3 MET 95 2HE MET 95 -0.548 -9.699 2.554 567 H HIS 96 H HIS 96 0.205 -8.584 8.777 568 HA HIS 96 HA HIS 96 -1.532 -6.927 10.460 569 HB2 HIS 96 2HB HIS 96 -0.405 -8.306 12.295 570 HB3 HIS 96 3HB HIS 96 -1.376 -9.181 11.119 571 HD1 HIS 96 1HD HIS 96 -0.182 -11.034 9.702 572 HD2 HIS 96 2HD HIS 96 2.393 -8.611 11.997 573 HE1 HIS 96 1HE HIS 96 2.140 -12.060 9.506 574 H GLY 97 H GLY 97 1.736 -6.838 9.366 575 HA2 GLY 97 2HA GLY 97 2.730 -4.811 11.280 576 HA3 GLY 97 3HA GLY 97 3.533 -5.485 9.877 577 H LEU 98 H LEU 98 0.799 -4.774 8.410 578 HA LEU 98 HA LEU 98 2.011 -2.264 7.380 579 HB2 LEU 98 2HB LEU 98 0.385 -4.383 6.043 580 HB3 LEU 98 3HB LEU 98 0.506 -2.740 5.424 581 HG LEU 98 HG LEU 98 3.087 -2.972 5.812 582 HD11 LEU 98 1HD1 LEU 98 4.061 -5.112 5.524 583 HD12 LEU 98 2HD1 LEU 98 2.499 -5.904 5.409 584 HD13 LEU 98 3HD1 LEU 98 3.038 -5.178 6.954 585 HD21 LEU 98 3HD2 LEU 98 1.658 -4.384 3.573 586 HD22 LEU 98 1HD2 LEU 98 3.358 -3.827 3.563 587 HD23 LEU 98 2HD2 LEU 98 2.045 -2.647 3.733 588 H ARG 99 H ARG 99 1.222 -0.464 7.572 589 HA ARG 99 HA ARG 99 -1.577 0.070 8.558 590 HB2 ARG 99 2HB ARG 99 0.383 0.761 9.976 591 HB3 ARG 99 3HB ARG 99 0.784 1.943 8.719 592 HG2 ARG 99 2HG ARG 99 -1.601 2.825 8.937 593 HG3 ARG 99 3HG ARG 99 -1.836 1.707 10.286 594 HD2 ARG 99 2HD ARG 99 -0.006 2.804 11.534 595 HD3 ARG 99 3HD ARG 99 0.289 3.834 10.118 596 HE ARG 99 HE ARG 99 -2.463 3.987 11.049 597 HH11 ARG 99 1HH1 ARG 99 0.702 5.499 11.600 598 HH12 ARG 99 2HH1 ARG 99 -0.088 6.988 12.112 599 HH21 ARG 99 2HH2 ARG 99 -2.241 7.151 12.307 600 HH22 ARG 99 1HH2 ARG 99 -3.294 5.851 11.845 601 H ILE 100 H ILE 100 -2.836 0.271 6.775 602 HA ILE 100 HA ILE 100 -1.840 1.930 4.479 603 HB ILE 100 HB ILE 100 -4.102 -0.110 4.313 604 HG12 ILE 100 2HG1 ILE 100 -1.153 -0.741 4.009 605 HG13 ILE 100 3HG1 ILE 100 -2.382 -1.466 5.072 606 HG21 ILE 100 1HG2 ILE 100 -3.962 1.546 2.487 607 HG22 ILE 100 2HG2 ILE 100 -2.273 1.075 2.188 608 HG23 ILE 100 3HG2 ILE 100 -3.619 -0.050 1.917 609 HD11 ILE 100 3HD1 ILE 100 -3.607 -2.182 2.969 610 HD12 ILE 100 1HD1 ILE 100 -2.098 -1.858 2.093 611 HD13 ILE 100 2HD1 ILE 100 -2.119 -3.069 3.383 612 H PHE 101 H PHE 101 -2.706 3.350 3.612 613 HA PHE 101 HA PHE 101 -5.135 4.667 4.731 614 HB2 PHE 101 2HB PHE 101 -2.407 5.538 3.777 615 HB3 PHE 101 3HB PHE 101 -3.691 6.625 4.027 616 HD1 PHE 101 1HD PHE 101 -4.166 7.504 6.245 617 HD2 PHE 101 2HD PHE 101 -1.349 4.287 5.659 618 HE1 PHE 101 1HE PHE 101 -3.217 7.904 8.501 619 HE2 PHE 101 2HE PHE 101 -0.419 4.668 7.887 620 HZ PHE 101 HZ PHE 101 -1.298 6.553 9.302 621 H THR 102 H THR 102 -6.615 5.138 3.210 622 HA THR 102 HA THR 102 -5.977 5.497 0.289 623 HB THR 102 HB THR 102 -8.139 4.176 -0.121 624 HG1 THR 102 1HG THR 102 -9.162 3.570 1.558 625 HG21 THR 102 1HG2 THR 102 -7.137 1.952 -0.057 626 HG22 THR 102 2HG2 THR 102 -5.894 2.505 1.087 627 HG23 THR 102 3HG2 THR 102 -5.928 3.137 -0.575 628 H SER 103 H SER 103 -7.442 6.664 -0.784 629 HA SER 103 HA SER 103 -9.846 7.708 0.388 630 HB2 SER 103 2HB SER 103 -8.931 10.137 0.084 631 HB3 SER 103 3HB SER 103 -8.601 9.282 1.572 632 HG SER 103 HG SER 103 -6.898 10.404 -0.084 633 H VAL 104 H VAL 104 -10.561 9.649 -1.175 634 HA VAL 104 HA VAL 104 -9.814 8.972 -3.973 635 HB VAL 104 HB VAL 104 -11.462 7.399 -3.485 636 HG11 VAL 104 1HG1 VAL 104 -13.767 7.927 -2.860 637 HG12 VAL 104 2HG1 VAL 104 -12.608 8.192 -1.572 638 HG13 VAL 104 3HG1 VAL 104 -13.275 9.590 -2.473 639 HG21 VAL 104 3HG2 VAL 104 -11.571 8.624 -5.628 640 HG22 VAL 104 1HG2 VAL 104 -12.962 7.707 -5.207 641 HG23 VAL 104 2HG2 VAL 104 -12.993 9.494 -5.033 642 HA PRO 105 HA PRO 105 -10.399 13.338 -4.403 643 HB2 PRO 105 2HB PRO 105 -9.616 13.682 -6.986 644 HB3 PRO 105 3HB PRO 105 -8.470 13.151 -5.717 645 HG2 PRO 105 2HG PRO 105 -9.957 11.410 -7.706 646 HG3 PRO 105 3HG PRO 105 -8.220 11.353 -7.281 647 HD2 PRO 105 2HD PRO 105 -9.993 9.715 -6.153 648 HD3 PRO 105 3HD PRO 105 -8.579 10.301 -5.282 649 H LYS 106 H LYS 106 -11.987 14.644 -4.787 650 HA LYS 106 HA LYS 106 -14.471 13.496 -5.988 651 HB2 LYS 106 2HB LYS 106 -13.460 13.925 -3.195 652 HB3 LYS 106 3HB LYS 106 -15.109 14.367 -3.435 653 HG2 LYS 106 2HG LYS 106 -14.025 11.645 -4.263 654 HG3 LYS 106 3HG LYS 106 -14.668 11.993 -2.657 655 HD2 LYS 106 2HD LYS 106 -16.835 12.651 -3.644 656 HD3 LYS 106 3HD LYS 106 -16.237 12.250 -5.261 657 HE2 LYS 106 2HE LYS 106 -15.847 9.896 -4.501 658 HE3 LYS 106 3HE LYS 106 -16.497 10.324 -2.910 659 HZ1 LYS 106 3HZ LYS 106 -18.255 9.339 -4.222 660 HZ2 LYS 106 1HZ LYS 106 -17.994 10.391 -5.477 661 HZ3 LYS 106 2HZ LYS 106 -18.597 10.937 -4.066 662 H ARG 107 H ARG 107 -13.735 15.300 -7.534 663 HA ARG 107 HA ARG 107 -14.389 18.075 -7.041 664 HB2 ARG 107 2HB ARG 107 -12.963 17.178 -8.894 665 HB3 ARG 107 3HB ARG 107 -14.402 16.497 -9.653 666 HG2 ARG 107 2HG ARG 107 -15.348 18.740 -9.974 667 HG3 ARG 107 3HG ARG 107 -14.036 19.455 -9.035 668 HD2 ARG 107 2HD ARG 107 -13.541 19.860 -11.326 669 HD3 ARG 107 3HD ARG 107 -12.397 18.650 -10.751 670 HE ARG 107 HE ARG 107 -14.730 17.459 -12.035 671 HH11 ARG 107 1HH1 ARG 107 -11.540 18.755 -12.791 672 HH12 ARG 107 2HH1 ARG 107 -11.698 18.321 -14.478 673 HH21 ARG 107 2HH2 ARG 107 -13.509 17.348 -15.204 674 HH22 ARG 107 1HH2 ARG 107 -14.759 16.827 -14.081 Start of MODEL 20 1 H1 ALA 27 H1 ALA 27 12.087 8.395 5.707 2 H2 ALA 27 H2 ALA 27 12.805 9.730 6.367 3 H3 ALA 27 H3 ALA 27 12.554 8.396 7.289 4 HA ALA 27 HA ALA 27 14.275 8.390 4.926 5 HB1 ALA 27 1HB ALA 27 16.207 8.506 6.427 6 HB2 ALA 27 2HB ALA 27 15.190 9.940 6.594 7 HB3 ALA 27 3HB ALA 27 15.142 8.669 7.834 8 H THR 28 H THR 28 15.898 6.547 5.185 9 HA THR 28 HA THR 28 16.365 4.395 5.128 10 HB THR 28 HB THR 28 14.805 4.192 7.674 11 HG1 THR 28 1HG THR 28 17.515 4.646 7.018 12 HG21 THR 28 1HG2 THR 28 16.945 2.353 6.522 13 HG22 THR 28 2HG2 THR 28 15.245 1.945 6.868 14 HG23 THR 28 3HG2 THR 28 16.343 2.315 8.198 15 H GLN 29 H GLN 29 15.925 2.551 4.107 16 HA GLN 29 HA GLN 29 13.066 1.816 3.643 17 HB2 GLN 29 2HB GLN 29 15.108 1.570 1.427 18 HB3 GLN 29 3HB GLN 29 13.351 1.549 1.342 19 HG2 GLN 29 2HG GLN 29 13.623 4.073 2.210 20 HG3 GLN 29 3HG GLN 29 15.246 3.840 1.518 21 HE21 GLN 29 2HE2 GLN 29 12.013 4.078 -1.011 22 HE22 GLN 29 1HE2 GLN 29 11.734 3.710 0.676 23 H THR 30 H THR 30 13.172 -0.450 2.365 24 HA THR 30 HA THR 30 15.221 -2.272 3.494 25 HB THR 30 HB THR 30 13.523 -4.078 3.665 26 HG1 THR 30 1HG THR 30 11.356 -3.363 3.804 27 HG21 THR 30 1HG2 THR 30 14.193 -2.986 5.719 28 HG22 THR 30 2HG2 THR 30 12.451 -3.295 5.766 29 HG23 THR 30 3HG2 THR 30 13.049 -1.663 5.434 30 H GLU 31 H GLU 31 14.850 -4.591 2.023 31 HA GLU 31 HA GLU 31 14.827 -3.969 -0.826 32 HB2 GLU 31 2HB GLU 31 14.292 -6.518 0.771 33 HB3 GLU 31 3HB GLU 31 14.290 -6.427 -0.980 34 HG2 GLU 31 2HG GLU 31 16.672 -5.684 -0.947 35 HG3 GLU 31 3HG GLU 31 16.687 -5.933 0.808 36 H GLY 32 H GLY 32 12.428 -4.899 1.612 37 HA2 GLY 32 2HA GLY 32 10.205 -5.498 -0.036 38 HA3 GLY 32 3HA GLY 32 10.173 -5.059 1.672 39 H GLU 33 H GLU 33 11.048 -2.411 1.673 40 HA GLU 33 HA GLU 33 8.795 -0.967 1.109 41 HB2 GLU 33 2HB GLU 33 11.151 -0.567 2.374 42 HB3 GLU 33 3HB GLU 33 11.511 0.368 0.949 43 HG2 GLU 33 2HG GLU 33 8.904 0.802 2.373 44 HG3 GLU 33 3HG GLU 33 10.377 1.301 3.177 45 H LEU 34 H LEU 34 11.692 -1.145 -0.949 46 HA LEU 34 HA LEU 34 10.811 0.519 -3.100 47 HB2 LEU 34 2HB LEU 34 12.754 -1.838 -3.169 48 HB3 LEU 34 3HB LEU 34 12.725 -0.462 -4.270 49 HG LEU 34 HG LEU 34 13.361 -0.394 -1.308 50 HD11 LEU 34 1HD1 LEU 34 15.690 0.085 -2.053 51 HD12 LEU 34 2HD1 LEU 34 15.189 -0.155 -3.739 52 HD13 LEU 34 3HD1 LEU 34 15.130 -1.506 -2.586 53 HD21 LEU 34 3HD2 LEU 34 14.181 1.928 -1.852 54 HD22 LEU 34 1HD2 LEU 34 12.421 1.731 -1.982 55 HD23 LEU 34 2HD2 LEU 34 13.423 1.767 -3.451 56 H ARG 35 H ARG 35 10.932 -2.929 -2.636 57 HA ARG 35 HA ARG 35 9.895 -3.977 -5.102 58 HB2 ARG 35 2HB ARG 35 11.047 -5.291 -3.442 59 HB3 ARG 35 3HB ARG 35 9.791 -5.000 -2.251 60 HG2 ARG 35 2HG ARG 35 8.654 -6.760 -2.926 61 HG3 ARG 35 3HG ARG 35 8.417 -6.075 -4.517 62 HD2 ARG 35 2HD ARG 35 9.504 -8.152 -4.872 63 HD3 ARG 35 3HD ARG 35 10.690 -6.915 -5.210 64 HE ARG 35 HE ARG 35 10.603 -8.435 -2.587 65 HH11 ARG 35 1HH1 ARG 35 12.670 -6.867 -5.015 66 HH12 ARG 35 2HH1 ARG 35 14.095 -7.529 -4.232 67 HH21 ARG 35 2HH2 ARG 35 13.992 -8.694 -2.491 68 HH22 ARG 35 1HH2 ARG 35 12.469 -9.059 -1.694 69 H VAL 36 H VAL 36 8.197 -3.221 -2.070 70 HA VAL 36 HA VAL 36 5.580 -3.865 -3.029 71 HB VAL 36 HB VAL 36 6.548 -2.113 -0.710 72 HG11 VAL 36 1HG1 VAL 36 3.706 -2.905 -1.448 73 HG12 VAL 36 2HG1 VAL 36 4.187 -2.330 0.169 74 HG13 VAL 36 3HG1 VAL 36 4.344 -1.273 -1.234 75 HG21 VAL 36 3HG2 VAL 36 5.947 -3.957 0.729 76 HG22 VAL 36 1HG2 VAL 36 5.183 -4.831 -0.627 77 HG23 VAL 36 2HG2 VAL 36 6.929 -4.638 -0.567 78 H THR 37 H THR 37 7.438 -0.752 -2.702 79 HA THR 37 HA THR 37 5.418 0.928 -3.694 80 HB THR 37 HB THR 37 8.402 1.243 -3.988 81 HG1 THR 37 1HG THR 37 7.988 1.204 -1.883 82 HG21 THR 37 1HG2 THR 37 6.211 3.346 -4.153 83 HG22 THR 37 2HG2 THR 37 7.304 2.855 -5.469 84 HG23 THR 37 3HG2 THR 37 7.955 3.691 -4.062 85 H GLN 38 H GLN 38 7.785 -0.986 -5.515 86 HA GLN 38 HA GLN 38 7.248 0.150 -8.081 87 HB2 GLN 38 2HB GLN 38 8.100 -2.683 -7.330 88 HB3 GLN 38 3HB GLN 38 8.034 -2.047 -8.946 89 HG2 GLN 38 2HG GLN 38 10.099 -1.670 -6.876 90 HG3 GLN 38 3HG GLN 38 10.221 -1.723 -8.614 91 HE21 GLN 38 2HE2 GLN 38 10.107 1.876 -6.746 92 HE22 GLN 38 1HE2 GLN 38 9.838 0.371 -5.853 93 H ILE 39 H ILE 39 5.613 -2.550 -6.376 94 HA ILE 39 HA ILE 39 3.864 -3.018 -8.690 95 HB ILE 39 HB ILE 39 3.607 -4.180 -5.894 96 HG12 ILE 39 2HG1 ILE 39 5.114 -5.168 -8.355 97 HG13 ILE 39 3HG1 ILE 39 5.808 -4.717 -6.804 98 HG21 ILE 39 1HG2 ILE 39 2.400 -4.857 -8.621 99 HG22 ILE 39 2HG2 ILE 39 2.327 -5.960 -7.241 100 HG23 ILE 39 3HG2 ILE 39 1.552 -4.404 -7.120 101 HD11 ILE 39 3HD1 ILE 39 5.812 -7.057 -6.830 102 HD12 ILE 39 1HD1 ILE 39 4.477 -6.596 -5.740 103 HD13 ILE 39 2HD1 ILE 39 4.149 -7.171 -7.398 104 H LEU 40 H LEU 40 3.630 -1.190 -5.627 105 HA LEU 40 HA LEU 40 0.892 -0.450 -5.881 106 HB2 LEU 40 2HB LEU 40 3.314 1.119 -4.883 107 HB3 LEU 40 3HB LEU 40 1.678 1.738 -4.850 108 HG LEU 40 HG LEU 40 2.843 -0.613 -3.322 109 HD11 LEU 40 1HD1 LEU 40 3.104 1.702 -2.467 110 HD12 LEU 40 2HD1 LEU 40 2.115 0.695 -1.391 111 HD13 LEU 40 3HD1 LEU 40 1.345 1.895 -2.451 112 HD21 LEU 40 3HD2 LEU 40 -0.104 0.050 -3.634 113 HD22 LEU 40 1HD2 LEU 40 0.556 -0.903 -2.281 114 HD23 LEU 40 2HD2 LEU 40 0.710 -1.501 -3.931 115 H LYS 41 H LYS 41 3.677 1.012 -7.600 116 HA LYS 41 HA LYS 41 2.220 3.070 -8.892 117 HB2 LYS 41 2HB LYS 41 4.536 1.598 -10.186 118 HB3 LYS 41 3HB LYS 41 3.967 3.249 -10.514 119 HG2 LYS 41 2HG LYS 41 4.428 3.555 -7.929 120 HG3 LYS 41 3HG LYS 41 5.427 2.135 -8.184 121 HD2 LYS 41 2HD LYS 41 6.563 3.366 -10.090 122 HD3 LYS 41 3HD LYS 41 5.815 4.853 -9.478 123 HE2 LYS 41 2HE LYS 41 6.959 4.665 -7.357 124 HE3 LYS 41 3HE LYS 41 7.415 2.984 -7.685 125 HZ1 LYS 41 3HZ LYS 41 8.531 5.369 -9.054 126 HZ2 LYS 41 1HZ LYS 41 8.824 3.814 -9.502 127 HZ3 LYS 41 2HZ LYS 41 9.318 4.342 -8.027 128 H GLU 42 H GLU 42 2.441 -0.355 -9.722 129 HA GLU 42 HA GLU 42 1.277 -0.144 -12.290 130 HB2 GLU 42 2HB GLU 42 2.299 -2.103 -10.390 131 HB3 GLU 42 3HB GLU 42 1.531 -2.645 -11.752 132 HG2 GLU 42 2HG GLU 42 3.222 -1.522 -13.062 133 HG3 GLU 42 3HG GLU 42 4.066 -0.999 -11.618 134 H LYS 43 H LYS 43 0.255 -1.380 -9.053 135 HA LYS 43 HA LYS 43 -2.277 -2.222 -10.157 136 HB2 LYS 43 2HB LYS 43 -1.616 -1.735 -7.212 137 HB3 LYS 43 3HB LYS 43 -3.044 -2.509 -7.907 138 HG2 LYS 43 2HG LYS 43 -0.287 -3.642 -8.005 139 HG3 LYS 43 3HG LYS 43 -1.586 -4.099 -6.927 140 HD2 LYS 43 2HD LYS 43 -2.989 -4.895 -8.693 141 HD3 LYS 43 3HD LYS 43 -1.858 -4.308 -9.911 142 HE2 LYS 43 2HE LYS 43 -0.120 -5.880 -9.068 143 HE3 LYS 43 3HE LYS 43 -1.226 -6.417 -7.787 144 HZ1 LYS 43 3HZ LYS 43 -1.269 -7.962 -9.642 145 HZ2 LYS 43 1HZ LYS 43 -1.707 -6.752 -10.687 146 HZ3 LYS 43 2HZ LYS 43 -2.731 -7.231 -9.523 147 H PHE 44 H PHE 44 -0.997 0.754 -8.848 148 HA PHE 44 HA PHE 44 -3.572 2.023 -9.441 149 HB2 PHE 44 2HB PHE 44 -1.824 2.709 -7.011 150 HB3 PHE 44 3HB PHE 44 -3.422 3.356 -7.343 151 HD1 PHE 44 1HD PHE 44 -5.436 1.959 -7.078 152 HD2 PHE 44 2HD PHE 44 -1.554 0.572 -5.830 153 HE1 PHE 44 1HE PHE 44 -6.503 0.152 -5.738 154 HE2 PHE 44 2HE PHE 44 -2.615 -1.249 -4.523 155 HZ PHE 44 HZ PHE 44 -5.090 -1.460 -4.494 156 HA PRO 45 HA PRO 45 -0.401 4.727 -11.494 157 HB2 PRO 45 2HB PRO 45 -1.309 4.344 -14.090 158 HB3 PRO 45 3HB PRO 45 0.008 3.401 -13.338 159 HG2 PRO 45 2HG PRO 45 -2.904 2.658 -13.558 160 HG3 PRO 45 3HG PRO 45 -1.485 1.633 -13.907 161 HD2 PRO 45 2HD PRO 45 -2.666 1.315 -11.580 162 HD3 PRO 45 3HD PRO 45 -0.964 1.422 -11.558 163 H ARG 46 H ARG 46 -3.873 4.320 -11.510 164 HA ARG 46 HA ARG 46 -4.444 6.915 -12.547 165 HB2 ARG 46 2HB ARG 46 -6.096 5.039 -10.852 166 HB3 ARG 46 3HB ARG 46 -6.666 6.601 -11.402 167 HG2 ARG 46 2HG ARG 46 -7.495 5.251 -13.029 168 HG3 ARG 46 3HG ARG 46 -6.075 5.893 -13.797 169 HD2 ARG 46 2HD ARG 46 -6.449 3.470 -14.226 170 HD3 ARG 46 3HD ARG 46 -4.877 3.820 -13.524 171 HE ARG 46 HE ARG 46 -6.819 3.170 -11.457 172 HH11 ARG 46 1HH1 ARG 46 -4.955 1.390 -13.915 173 HH12 ARG 46 2HH1 ARG 46 -4.606 0.135 -12.773 174 HH21 ARG 46 2HH2 ARG 46 -5.263 0.216 -10.739 175 HH22 ARG 46 1HH2 ARG 46 -6.347 1.457 -10.164 176 H ALA 47 H ALA 47 -3.220 5.972 -9.463 177 HA ALA 47 HA ALA 47 -4.532 7.518 -7.671 178 HB1 ALA 47 1HB ALA 47 -1.606 6.692 -7.678 179 HB2 ALA 47 2HB ALA 47 -2.529 7.199 -6.251 180 HB3 ALA 47 3HB ALA 47 -2.989 5.724 -7.107 181 H THR 48 H THR 48 -4.295 9.314 -6.531 182 HA THR 48 HA THR 48 -2.721 11.589 -7.709 183 HB THR 48 HB THR 48 -3.870 13.000 -6.120 184 HG1 THR 48 1HG THR 48 -5.333 12.081 -4.674 185 HG21 THR 48 1HG2 THR 48 -4.990 12.469 -8.296 186 HG22 THR 48 2HG2 THR 48 -6.163 12.763 -6.996 187 HG23 THR 48 3HG2 THR 48 -5.811 11.100 -7.531 188 H ALA 49 H ALA 49 -2.898 9.570 -4.757 189 HA ALA 49 HA ALA 49 -0.095 10.456 -4.119 190 HB1 ALA 49 1HB ALA 49 -1.786 11.301 -2.500 191 HB2 ALA 49 2HB ALA 49 -2.306 9.633 -2.189 192 HB3 ALA 49 3HB ALA 49 -0.657 10.147 -1.758 193 H ILE 50 H ILE 50 1.430 8.844 -3.911 194 HA ILE 50 HA ILE 50 0.680 6.204 -3.012 195 HB ILE 50 HB ILE 50 2.185 5.194 -5.003 196 HG12 ILE 50 2HG1 ILE 50 0.664 7.365 -6.501 197 HG13 ILE 50 3HG1 ILE 50 2.400 7.398 -6.173 198 HG21 ILE 50 1HG2 ILE 50 0.239 4.242 -5.979 199 HG22 ILE 50 2HG2 ILE 50 -0.053 4.433 -4.248 200 HG23 ILE 50 3HG2 ILE 50 -0.781 5.568 -5.404 201 HD11 ILE 50 3HD1 ILE 50 0.923 5.349 -7.878 202 HD12 ILE 50 1HD1 ILE 50 2.037 6.608 -8.427 203 HD13 ILE 50 2HD1 ILE 50 2.650 5.257 -7.453 204 H LYS 51 H LYS 51 1.985 5.871 -1.437 205 HA LYS 51 HA LYS 51 4.911 5.815 -1.823 206 HB2 LYS 51 2HB LYS 51 5.308 7.298 0.093 207 HB3 LYS 51 3HB LYS 51 4.626 8.083 -1.320 208 HG2 LYS 51 2HG LYS 51 2.299 7.736 -0.065 209 HG3 LYS 51 3HG LYS 51 3.323 7.477 1.351 210 HD2 LYS 51 2HD LYS 51 2.748 9.780 1.330 211 HD3 LYS 51 3HD LYS 51 4.436 9.691 0.774 212 HE2 LYS 51 2HE LYS 51 3.691 9.908 -1.575 213 HE3 LYS 51 3HE LYS 51 2.002 9.870 -1.086 214 HZ1 LYS 51 3HZ LYS 51 2.951 12.185 -1.442 215 HZ2 LYS 51 1HZ LYS 51 3.938 11.934 -0.156 216 HZ3 LYS 51 2HZ LYS 51 2.315 11.970 0.059 217 H VAL 52 H VAL 52 6.062 4.796 -0.196 218 HA VAL 52 HA VAL 52 4.632 3.190 1.875 219 HB VAL 52 HB VAL 52 6.969 2.163 0.230 220 HG11 VAL 52 1HG1 VAL 52 6.414 -0.031 1.123 221 HG12 VAL 52 2HG1 VAL 52 6.695 1.094 2.449 222 HG13 VAL 52 3HG1 VAL 52 5.044 0.636 2.025 223 HG21 VAL 52 3HG2 VAL 52 5.079 2.332 -1.322 224 HG22 VAL 52 1HG2 VAL 52 5.503 0.672 -0.980 225 HG23 VAL 52 2HG2 VAL 52 4.067 1.391 -0.194 226 H THR 53 H THR 53 5.721 3.165 3.827 227 HA THR 53 HA THR 53 8.592 4.044 3.957 228 HB THR 53 HB THR 53 6.304 4.844 5.868 229 HG1 THR 53 1HG THR 53 7.714 6.332 3.896 230 HG21 THR 53 1HG2 THR 53 7.979 6.413 6.801 231 HG22 THR 53 2HG2 THR 53 9.219 5.775 5.699 232 HG23 THR 53 3HG2 THR 53 8.531 4.748 6.974 233 H ASP 54 H ASP 54 9.820 2.584 4.797 234 HA ASP 54 HA ASP 54 8.824 0.367 6.471 235 HB2 ASP 54 2HB ASP 54 10.796 -0.069 5.064 236 HB3 ASP 54 3HB ASP 54 11.535 1.402 5.515 237 H ILE 55 H ILE 55 8.591 0.338 8.485 238 HA ILE 55 HA ILE 55 9.846 2.306 10.316 239 HB ILE 55 HB ILE 55 7.714 2.569 11.528 240 HG12 ILE 55 2HG1 ILE 55 6.583 0.902 9.254 241 HG13 ILE 55 3HG1 ILE 55 6.431 0.660 10.966 242 HG21 ILE 55 1HG2 ILE 55 8.553 4.179 9.748 243 HG22 ILE 55 2HG2 ILE 55 7.387 3.422 8.629 244 HG23 ILE 55 3HG2 ILE 55 6.820 4.255 10.082 245 HD11 ILE 55 3HD1 ILE 55 4.311 1.440 10.027 246 HD12 ILE 55 1HD1 ILE 55 4.971 2.740 11.048 247 HD13 ILE 55 2HD1 ILE 55 5.112 2.821 9.277 248 H SER 56 H SER 56 10.554 -0.318 9.513 249 HA SER 56 HA SER 56 10.484 -1.905 12.020 250 HB2 SER 56 2HB SER 56 8.679 -2.461 10.463 251 HB3 SER 56 3HB SER 56 9.851 -2.934 9.263 252 HG SER 56 HG SER 56 9.634 -4.015 11.913 253 H GLY 57 H GLY 57 12.543 -0.552 11.991 254 HA2 GLY 57 2HA GLY 57 14.557 -0.813 10.095 255 HA3 GLY 57 3HA GLY 57 14.771 -0.318 11.766 256 H GLY 58 H GLY 58 13.769 -3.408 12.155 257 HA2 GLY 58 2HA GLY 58 16.336 -4.749 11.471 258 HA3 GLY 58 3HA GLY 58 15.826 -4.772 13.163 259 H CYS 59 H CYS 59 13.322 -4.877 10.857 260 HA CYS 59 HA CYS 59 13.094 -7.861 10.761 261 HB2 CYS 59 2HB CYS 59 11.321 -5.832 12.129 262 HB3 CYS 59 3HB CYS 59 10.615 -7.337 11.476 263 HG CYS 59 HG CYS 59 13.101 -6.982 13.638 264 H GLY 60 H GLY 60 12.037 -4.652 9.641 265 HA2 GLY 60 2HA GLY 60 10.978 -3.879 7.896 266 HA3 GLY 60 3HA GLY 60 11.783 -5.152 6.918 267 H ALA 61 H ALA 61 9.313 -5.302 9.451 268 HA ALA 61 HA ALA 61 7.468 -6.911 7.730 269 HB1 ALA 61 1HB ALA 61 6.644 -7.676 9.964 270 HB2 ALA 61 2HB ALA 61 8.376 -8.010 9.725 271 HB3 ALA 61 3HB ALA 61 7.865 -6.643 10.744 272 H MET 62 H MET 62 7.752 -4.009 9.674 273 HA MET 62 HA MET 62 4.891 -3.323 9.372 274 HB2 MET 62 2HB MET 62 6.885 -3.060 11.504 275 HB3 MET 62 3HB MET 62 6.267 -1.478 11.074 276 HG2 MET 62 2HG MET 62 3.983 -2.238 11.444 277 HG3 MET 62 3HG MET 62 4.556 -3.860 11.835 278 HE1 MET 62 3HE MET 62 7.275 -2.321 13.616 279 HE2 MET 62 1HE MET 62 6.615 -2.692 15.222 280 HE3 MET 62 2HE MET 62 6.582 -3.931 13.947 281 H TYR 63 H TYR 63 4.279 -1.797 8.042 282 HA TYR 63 HA TYR 63 6.186 0.258 7.126 283 HB2 TYR 63 2HB TYR 63 4.555 -1.441 5.240 284 HB3 TYR 63 3HB TYR 63 5.394 -0.042 4.772 285 HD1 TYR 63 HD1 TYR 63 7.862 -0.130 4.376 286 HD2 TYR 63 HD2 TYR 63 5.656 -3.537 5.788 287 HE1 TYR 63 HE1 TYR 63 9.816 -1.587 3.923 288 HE2 TYR 63 HE2 TYR 63 7.522 -5.033 5.126 289 HH TYR 63 HH TYR 63 9.727 -5.094 4.713 290 H GLU 64 H GLU 64 5.218 2.131 6.449 291 HA GLU 64 HA GLU 64 2.302 2.505 6.970 292 HB2 GLU 64 2HB GLU 64 3.592 3.875 8.397 293 HB3 GLU 64 3HB GLU 64 4.681 4.383 7.108 294 HG2 GLU 64 2HG GLU 64 2.896 5.614 6.087 295 HG3 GLU 64 3HG GLU 64 1.733 4.960 7.209 296 H ILE 65 H ILE 65 1.029 2.724 5.152 297 HA ILE 65 HA ILE 65 2.277 3.568 2.559 298 HB ILE 65 HB ILE 65 0.224 1.389 3.098 299 HG12 ILE 65 2HG1 ILE 65 3.000 1.408 1.868 300 HG13 ILE 65 3HG1 ILE 65 2.571 0.728 3.438 301 HG21 ILE 65 1HG2 ILE 65 -0.481 2.659 1.081 302 HG22 ILE 65 2HG2 ILE 65 1.147 2.476 0.392 303 HG23 ILE 65 3HG2 ILE 65 0.084 1.071 0.642 304 HD11 ILE 65 3HD1 ILE 65 2.872 -1.076 1.891 305 HD12 ILE 65 1HD1 ILE 65 1.135 -0.968 2.265 306 HD13 ILE 65 2HD1 ILE 65 1.773 -0.369 0.713 307 H LYS 66 H LYS 66 1.272 5.121 1.400 308 HA LYS 66 HA LYS 66 -1.514 5.885 2.135 309 HB2 LYS 66 2HB LYS 66 0.379 7.448 3.041 310 HB3 LYS 66 3HB LYS 66 0.589 7.919 1.353 311 HG2 LYS 66 2HG LYS 66 -1.912 8.448 1.328 312 HG3 LYS 66 3HG LYS 66 -1.887 8.221 3.085 313 HD2 LYS 66 2HD LYS 66 0.025 9.954 3.145 314 HD3 LYS 66 3HD LYS 66 -0.379 10.298 1.449 315 HE2 LYS 66 2HE LYS 66 -2.757 10.765 2.195 316 HE3 LYS 66 3HE LYS 66 -2.231 10.520 3.865 317 HZ1 LYS 66 3HZ LYS 66 -1.460 12.704 2.033 318 HZ2 LYS 66 1HZ LYS 66 -0.557 12.377 3.374 319 HZ3 LYS 66 2HZ LYS 66 -2.136 12.801 3.511 320 H ILE 67 H ILE 67 -2.827 5.598 0.532 321 HA ILE 67 HA ILE 67 -1.925 6.038 -2.231 322 HB ILE 67 HB ILE 67 -3.978 3.989 -1.476 323 HG12 ILE 67 2HG1 ILE 67 -1.006 3.827 -1.454 324 HG13 ILE 67 3HG1 ILE 67 -2.206 2.985 -0.575 325 HG21 ILE 67 1HG2 ILE 67 -3.615 3.237 -3.819 326 HG22 ILE 67 2HG2 ILE 67 -4.199 4.877 -3.752 327 HG23 ILE 67 3HG2 ILE 67 -2.481 4.591 -4.052 328 HD11 ILE 67 3HD1 ILE 67 -1.285 2.440 -3.436 329 HD12 ILE 67 1HD1 ILE 67 -0.929 1.489 -1.993 330 HD13 ILE 67 2HD1 ILE 67 -2.594 1.543 -2.629 331 H GLU 68 H GLU 68 -3.591 7.070 -3.590 332 HA GLU 68 HA GLU 68 -6.356 7.402 -2.596 333 HB2 GLU 68 2HB GLU 68 -5.145 9.345 -1.622 334 HB3 GLU 68 3HB GLU 68 -4.484 9.685 -3.120 335 HG2 GLU 68 2HG GLU 68 -6.728 10.260 -4.057 336 HG3 GLU 68 3HG GLU 68 -7.500 9.743 -2.579 337 H SER 69 H SER 69 -7.711 7.174 -4.349 338 HA SER 69 HA SER 69 -6.835 7.920 -7.038 339 HB2 SER 69 2HB SER 69 -5.756 5.588 -6.363 340 HB3 SER 69 3HB SER 69 -7.354 4.983 -6.626 341 HG SER 69 HG SER 69 -7.020 5.095 -8.710 342 H GLU 70 H GLU 70 -8.430 7.893 -8.510 343 HA GLU 70 HA GLU 70 -11.044 8.382 -7.759 344 HB2 GLU 70 2HB GLU 70 -9.648 7.811 -10.263 345 HB3 GLU 70 3HB GLU 70 -11.423 7.777 -10.347 346 HG2 GLU 70 2HG GLU 70 -11.390 10.080 -9.285 347 HG3 GLU 70 3HG GLU 70 -9.634 10.062 -9.481 348 H GLU 71 H GLU 71 -9.718 5.166 -8.464 349 HA GLU 71 HA GLU 71 -12.263 3.897 -8.839 350 HB2 GLU 71 2HB GLU 71 -11.087 1.779 -8.425 351 HB3 GLU 71 3HB GLU 71 -10.322 2.767 -9.648 352 HG2 GLU 71 2HG GLU 71 -9.248 3.341 -6.928 353 HG3 GLU 71 3HG GLU 71 -9.153 1.641 -7.353 354 H PHE 72 H PHE 72 -10.755 4.989 -5.872 355 HA PHE 72 HA PHE 72 -11.984 2.892 -4.277 356 HB2 PHE 72 2HB PHE 72 -10.395 5.379 -3.723 357 HB3 PHE 72 3HB PHE 72 -11.102 4.487 -2.415 358 HD1 PHE 72 1HD PHE 72 -8.120 5.136 -3.538 359 HD2 PHE 72 2HD PHE 72 -10.594 1.619 -3.204 360 HE1 PHE 72 1HE PHE 72 -6.091 3.719 -3.314 361 HE2 PHE 72 2HE PHE 72 -8.572 0.220 -2.996 362 HZ PHE 72 HZ PHE 72 -6.320 1.272 -3.070 363 H LYS 73 H LYS 73 -13.805 4.715 -5.841 364 HA LYS 73 HA LYS 73 -15.231 6.445 -4.030 365 HB2 LYS 73 2HB LYS 73 -16.663 6.881 -6.044 366 HB3 LYS 73 3HB LYS 73 -14.949 7.172 -6.279 367 HG2 LYS 73 2HG LYS 73 -14.701 4.962 -7.383 368 HG3 LYS 73 3HG LYS 73 -16.430 4.660 -7.165 369 HD2 LYS 73 2HD LYS 73 -17.027 6.404 -8.671 370 HD3 LYS 73 3HD LYS 73 -15.346 7.037 -8.736 371 HE2 LYS 73 2HE LYS 73 -14.518 5.044 -9.760 372 HE3 LYS 73 3HE LYS 73 -15.993 4.165 -9.359 373 HZ1 LYS 73 3HZ LYS 73 -17.161 5.642 -10.985 374 HZ2 LYS 73 1HZ LYS 73 -16.011 4.700 -11.680 375 HZ3 LYS 73 2HZ LYS 73 -15.694 6.286 -11.419 376 H GLU 74 H GLU 74 -16.163 3.243 -5.318 377 HA GLU 74 HA GLU 74 -18.605 3.428 -3.605 378 HB2 GLU 74 2HB GLU 74 -19.897 2.262 -5.146 379 HB3 GLU 74 3HB GLU 74 -19.147 3.619 -5.988 380 HG2 GLU 74 2HG GLU 74 -17.727 2.244 -7.247 381 HG3 GLU 74 3HG GLU 74 -18.000 0.823 -6.220 382 H LYS 75 H LYS 75 -16.144 2.650 -2.702 383 HA LYS 75 HA LYS 75 -16.404 -0.261 -2.010 384 HB2 LYS 75 2HB LYS 75 -13.991 1.621 -2.067 385 HB3 LYS 75 3HB LYS 75 -13.930 -0.031 -1.459 386 HG2 LYS 75 2HG LYS 75 -14.729 0.640 -4.316 387 HG3 LYS 75 3HG LYS 75 -13.054 0.394 -3.820 388 HD2 LYS 75 2HD LYS 75 -13.458 -1.872 -3.165 389 HD3 LYS 75 3HD LYS 75 -15.221 -1.717 -3.371 390 HE2 LYS 75 2HE LYS 75 -14.935 -1.248 -5.747 391 HE3 LYS 75 3HE LYS 75 -13.168 -1.262 -5.570 392 HZ1 LYS 75 3HZ LYS 75 -15.008 -3.561 -5.486 393 HZ2 LYS 75 1HZ LYS 75 -13.523 -3.657 -4.760 394 HZ3 LYS 75 2HZ LYS 75 -13.649 -3.378 -6.364 395 H ARG 76 H ARG 76 -16.472 -0.880 0.051 396 HA ARG 76 HA ARG 76 -16.777 0.939 2.243 397 HB2 ARG 76 2HB ARG 76 -15.785 -1.901 2.481 398 HB3 ARG 76 3HB ARG 76 -16.841 -1.010 3.472 399 HG2 ARG 76 2HG ARG 76 -17.769 -2.052 0.789 400 HG3 ARG 76 3HG ARG 76 -17.958 -2.883 2.306 401 HD2 ARG 76 2HD ARG 76 -19.051 -0.537 3.047 402 HD3 ARG 76 3HD ARG 76 -19.352 -0.414 1.309 403 HE ARG 76 HE ARG 76 -20.237 -2.979 2.021 404 HH11 ARG 76 1HH1 ARG 76 -21.196 0.267 3.022 405 HH12 ARG 76 2HH1 ARG 76 -22.611 -0.346 3.848 406 HH21 ARG 76 2HH2 ARG 76 -23.032 -2.478 3.925 407 HH22 ARG 76 1HH2 ARG 76 -22.059 -3.621 2.987 408 H THR 77 H THR 77 -15.230 1.097 4.038 409 HA THR 77 HA THR 77 -12.531 1.605 3.611 410 HB THR 77 HB THR 77 -13.914 0.330 5.954 411 HG1 THR 77 1HG THR 77 -14.018 2.460 6.696 412 HG21 THR 77 1HG2 THR 77 -12.136 1.445 7.378 413 HG22 THR 77 2HG2 THR 77 -11.286 1.933 5.891 414 HG23 THR 77 3HG2 THR 77 -11.442 0.216 6.325 415 H VAL 78 H VAL 78 -13.738 -1.501 4.882 416 HA VAL 78 HA VAL 78 -11.348 -2.953 4.781 417 HB VAL 78 HB VAL 78 -13.289 -3.691 5.977 418 HG11 VAL 78 1HG1 VAL 78 -14.645 -4.330 3.340 419 HG12 VAL 78 2HG1 VAL 78 -15.267 -4.620 4.972 420 HG13 VAL 78 3HG1 VAL 78 -15.051 -2.963 4.409 421 HG21 VAL 78 3HG2 VAL 78 -11.647 -5.406 5.318 422 HG22 VAL 78 1HG2 VAL 78 -13.288 -6.056 5.478 423 HG23 VAL 78 2HG2 VAL 78 -12.617 -5.754 3.865 424 H GLN 79 H GLN 79 -13.652 -2.414 2.172 425 HA GLN 79 HA GLN 79 -12.347 -4.240 0.304 426 HB2 GLN 79 2HB GLN 79 -14.532 -2.150 -0.081 427 HB3 GLN 79 3HB GLN 79 -13.906 -3.234 -1.324 428 HG2 GLN 79 2HG GLN 79 -14.614 -4.759 0.932 429 HG3 GLN 79 3HG GLN 79 -16.012 -3.829 0.382 430 HE21 GLN 79 2HE2 GLN 79 -16.090 -5.588 -2.810 431 HE22 GLN 79 1HE2 GLN 79 -16.505 -4.065 -2.035 432 H GLN 80 H GLN 80 -12.129 -0.716 0.916 433 HA GLN 80 HA GLN 80 -10.375 -0.131 -1.316 434 HB2 GLN 80 2HB GLN 80 -10.567 1.179 1.434 435 HB3 GLN 80 3HB GLN 80 -9.578 1.749 0.095 436 HG2 GLN 80 2HG GLN 80 -11.626 2.171 -1.250 437 HG3 GLN 80 3HG GLN 80 -12.615 1.664 0.115 438 HE21 GLN 80 2HE2 GLN 80 -12.461 5.333 0.408 439 HE22 GLN 80 1HE2 GLN 80 -13.124 4.226 -0.779 440 H HIS 81 H HIS 81 -9.696 -0.901 2.154 441 HA HIS 81 HA HIS 81 -6.883 -1.117 2.000 442 HB2 HIS 81 2HB HIS 81 -8.898 -2.620 3.718 443 HB3 HIS 81 3HB HIS 81 -7.153 -2.703 3.935 444 HD1 HIS 81 1HD HIS 81 -9.385 -1.372 6.036 445 HD2 HIS 81 2HD HIS 81 -6.532 0.495 3.551 446 HE1 HIS 81 1HE HIS 81 -8.850 0.875 7.101 447 H GLN 82 H GLN 82 -9.231 -3.856 1.568 448 HA GLN 82 HA GLN 82 -7.527 -5.887 1.006 449 HB2 GLN 82 2HB GLN 82 -9.892 -6.241 1.160 450 HB3 GLN 82 3HB GLN 82 -10.210 -5.210 -0.227 451 HG2 GLN 82 2HG GLN 82 -10.500 -7.570 -0.760 452 HG3 GLN 82 3HG GLN 82 -9.274 -6.827 -1.762 453 HE21 GLN 82 2HE2 GLN 82 -7.755 -10.020 -1.046 454 HE22 GLN 82 1HE2 GLN 82 -8.833 -9.191 -2.175 455 H MET 83 H MET 83 -8.530 -3.422 -1.485 456 HA MET 83 HA MET 83 -7.211 -4.739 -3.655 457 HB2 MET 83 2HB MET 83 -7.553 -1.732 -3.398 458 HB3 MET 83 3HB MET 83 -7.388 -2.680 -4.870 459 HG2 MET 83 2HG MET 83 -9.589 -3.852 -3.714 460 HG3 MET 83 3HG MET 83 -9.764 -2.182 -3.185 461 HE1 MET 83 3HE MET 83 -10.311 -0.276 -6.571 462 HE2 MET 83 1HE MET 83 -10.409 -0.164 -4.802 463 HE3 MET 83 2HE MET 83 -8.830 -0.385 -5.599 464 H VAL 84 H VAL 84 -6.012 -2.309 -1.345 465 HA VAL 84 HA VAL 84 -3.351 -2.052 -2.506 466 HB VAL 84 HB VAL 84 -4.179 -1.406 0.336 467 HG11 VAL 84 1HG1 VAL 84 -1.855 -1.019 0.117 468 HG12 VAL 84 2HG1 VAL 84 -2.034 -0.391 -1.520 469 HG13 VAL 84 3HG1 VAL 84 -2.578 0.597 -0.144 470 HG21 VAL 84 3HG2 VAL 84 -5.854 -0.344 -1.042 471 HG22 VAL 84 1HG2 VAL 84 -4.754 0.856 -0.409 472 HG23 VAL 84 2HG2 VAL 84 -4.584 0.327 -2.104 473 H ASN 85 H ASN 85 -4.828 -4.217 -0.136 474 HA ASN 85 HA ASN 85 -2.345 -5.342 0.929 475 HB2 ASN 85 2HB ASN 85 -5.311 -5.950 1.084 476 HB3 ASN 85 3HB ASN 85 -4.136 -7.170 1.604 477 HD21 ASN 85 2HD2 ASN 85 -4.767 -3.842 3.851 478 HD22 ASN 85 1HD2 ASN 85 -5.194 -3.843 2.144 479 H GLN 86 H GLN 86 -4.740 -6.337 -1.553 480 HA GLN 86 HA GLN 86 -3.358 -8.737 -2.319 481 HB2 GLN 86 2HB GLN 86 -5.772 -7.288 -3.018 482 HB3 GLN 86 3HB GLN 86 -4.938 -7.601 -4.498 483 HG2 GLN 86 2HG GLN 86 -5.277 -9.871 -2.509 484 HG3 GLN 86 3HG GLN 86 -6.681 -9.284 -3.390 485 HE21 GLN 86 2HE2 GLN 86 -3.812 -10.945 -5.813 486 HE22 GLN 86 1HE2 GLN 86 -3.271 -9.801 -4.599 487 H ALA 87 H ALA 87 -2.687 -5.409 -3.216 488 HA ALA 87 HA ALA 87 -1.327 -5.767 -5.649 489 HB1 ALA 87 1HB ALA 87 -1.983 -3.591 -4.590 490 HB2 ALA 87 2HB ALA 87 -0.744 -3.842 -3.339 491 HB3 ALA 87 3HB ALA 87 -0.260 -3.628 -5.026 492 H LEU 88 H LEU 88 -0.190 -6.227 -2.297 493 HA LEU 88 HA LEU 88 2.408 -7.221 -3.394 494 HB2 LEU 88 2HB LEU 88 3.637 -6.119 -1.900 495 HB3 LEU 88 3HB LEU 88 2.465 -4.950 -2.445 496 HG LEU 88 HG LEU 88 2.711 -4.476 -0.198 497 HD11 LEU 88 1HD1 LEU 88 0.290 -4.732 -0.751 498 HD12 LEU 88 2HD1 LEU 88 0.686 -4.912 0.967 499 HD13 LEU 88 3HD1 LEU 88 0.353 -6.350 0.000 500 HD21 LEU 88 3HD2 LEU 88 2.958 -5.973 1.605 501 HD22 LEU 88 1HD2 LEU 88 3.981 -6.563 0.277 502 HD23 LEU 88 2HD2 LEU 88 2.420 -7.358 0.651 503 H LYS 89 H LYS 89 -0.269 -8.340 -1.850 504 HA LYS 89 HA LYS 89 0.509 -9.973 0.222 505 HB2 LYS 89 2HB LYS 89 -1.805 -9.778 -0.408 506 HB3 LYS 89 3HB LYS 89 -1.504 -10.328 -2.059 507 HG2 LYS 89 2HG LYS 89 -1.198 -12.591 -1.412 508 HG3 LYS 89 3HG LYS 89 -0.972 -12.190 0.260 509 HD2 LYS 89 2HD LYS 89 -3.149 -12.987 0.334 510 HD3 LYS 89 3HD LYS 89 -3.495 -11.284 0.066 511 HE2 LYS 89 2HE LYS 89 -4.795 -12.102 -1.635 512 HE3 LYS 89 3HE LYS 89 -3.267 -12.105 -2.523 513 HZ1 LYS 89 3HZ LYS 89 -3.102 -14.500 -1.477 514 HZ2 LYS 89 1HZ LYS 89 -4.036 -14.235 -2.824 515 HZ3 LYS 89 2HZ LYS 89 -4.711 -14.371 -1.317 516 H GLU 90 H GLU 90 1.124 -10.559 -3.241 517 HA GLU 90 HA GLU 90 1.878 -13.271 -2.605 518 HB2 GLU 90 2HB GLU 90 1.265 -11.637 -5.034 519 HB3 GLU 90 3HB GLU 90 2.296 -13.010 -5.243 520 HG2 GLU 90 2HG GLU 90 0.577 -14.491 -4.234 521 HG3 GLU 90 3HG GLU 90 -0.425 -13.088 -3.862 522 H GLU 91 H GLU 91 3.437 -10.277 -2.629 523 HA GLU 91 HA GLU 91 6.197 -11.259 -3.186 524 HB2 GLU 91 2HB GLU 91 4.762 -8.610 -3.059 525 HB3 GLU 91 3HB GLU 91 6.425 -8.642 -2.526 526 HG2 GLU 91 2HG GLU 91 6.112 -7.967 -4.834 527 HG3 GLU 91 3HG GLU 91 7.247 -9.297 -4.625 528 H ILE 92 H ILE 92 4.314 -9.583 -0.637 529 HA ILE 92 HA ILE 92 5.863 -10.925 1.510 530 HB ILE 92 HB ILE 92 5.144 -7.972 1.545 531 HG12 ILE 92 2HG1 ILE 92 7.819 -9.378 1.325 532 HG13 ILE 92 3HG1 ILE 92 7.084 -8.305 0.137 533 HG21 ILE 92 1HG2 ILE 92 4.846 -9.126 3.752 534 HG22 ILE 92 2HG2 ILE 92 6.535 -9.672 3.657 535 HG23 ILE 92 3HG2 ILE 92 6.136 -7.949 3.780 536 HD11 ILE 92 3HD1 ILE 92 7.269 -6.426 1.787 537 HD12 ILE 92 1HD1 ILE 92 8.187 -7.529 2.850 538 HD13 ILE 92 2HD1 ILE 92 8.821 -7.113 1.252 539 H LYS 93 H LYS 93 4.217 -12.177 2.387 540 HA LYS 93 HA LYS 93 1.469 -11.361 1.855 541 HB2 LYS 93 2HB LYS 93 1.757 -13.717 3.542 542 HB3 LYS 93 3HB LYS 93 0.940 -13.552 2.009 543 HG2 LYS 93 2HG LYS 93 3.095 -13.854 0.807 544 HG3 LYS 93 3HG LYS 93 3.957 -13.964 2.345 545 HD2 LYS 93 2HD LYS 93 1.864 -15.929 1.379 546 HD3 LYS 93 3HD LYS 93 3.610 -16.159 1.320 547 HE2 LYS 93 2HE LYS 93 1.887 -15.903 3.821 548 HE3 LYS 93 3HE LYS 93 2.637 -17.369 3.188 549 HZ1 LYS 93 3HZ LYS 93 3.962 -15.079 4.504 550 HZ2 LYS 93 1HZ LYS 93 4.835 -16.100 3.533 551 HZ3 LYS 93 2HZ LYS 93 4.030 -16.675 4.851 552 H GLU 94 H GLU 94 3.462 -10.933 4.556 553 HA GLU 94 HA GLU 94 1.488 -11.258 6.574 554 HB2 GLU 94 2HB GLU 94 4.423 -10.948 6.234 555 HB3 GLU 94 3HB GLU 94 3.784 -10.442 7.750 556 HG2 GLU 94 2HG GLU 94 4.415 -12.712 8.025 557 HG3 GLU 94 3HG GLU 94 2.654 -12.692 7.999 558 H MET 95 H MET 95 0.171 -9.419 5.417 559 HA MET 95 HA MET 95 0.961 -6.731 5.964 560 HB2 MET 95 2HB MET 95 -1.689 -7.898 5.112 561 HB3 MET 95 3HB MET 95 -1.462 -6.183 5.442 562 HG2 MET 95 2HG MET 95 -1.190 -6.355 3.138 563 HG3 MET 95 3HG MET 95 0.407 -6.091 3.815 564 HE1 MET 95 3HE MET 95 -1.938 -8.442 1.742 565 HE2 MET 95 1HE MET 95 -1.130 -10.021 1.910 566 HE3 MET 95 2HE MET 95 -1.902 -9.270 3.313 567 H HIS 96 H HIS 96 0.442 -8.751 8.399 568 HA HIS 96 HA HIS 96 -1.237 -7.402 10.212 569 HB2 HIS 96 2HB HIS 96 -0.033 -8.535 11.948 570 HB3 HIS 96 3HB HIS 96 -0.148 -9.633 10.586 571 HD1 HIS 96 1HD HIS 96 2.452 -7.483 12.480 572 HD2 HIS 96 2HD HIS 96 2.204 -10.428 9.479 573 HE1 HIS 96 1HE HIS 96 4.831 -8.228 12.005 574 H GLY 97 H GLY 97 2.018 -6.662 9.271 575 HA2 GLY 97 2HA GLY 97 2.464 -4.507 11.213 576 HA3 GLY 97 3HA GLY 97 3.520 -5.024 9.908 577 H LEU 98 H LEU 98 0.782 -4.572 8.265 578 HA LEU 98 HA LEU 98 1.863 -1.967 7.332 579 HB2 LEU 98 2HB LEU 98 0.462 -4.172 5.847 580 HB3 LEU 98 3HB LEU 98 0.639 -2.524 5.222 581 HG LEU 98 HG LEU 98 3.168 -2.819 6.044 582 HD11 LEU 98 1HD1 LEU 98 2.564 -5.652 5.281 583 HD12 LEU 98 2HD1 LEU 98 2.857 -5.069 6.957 584 HD13 LEU 98 3HD1 LEU 98 4.107 -4.934 5.727 585 HD21 LEU 98 3HD2 LEU 98 2.149 -3.994 3.461 586 HD22 LEU 98 1HD2 LEU 98 3.826 -3.492 3.830 587 HD23 LEU 98 2HD2 LEU 98 2.534 -2.283 3.816 588 H ARG 99 H ARG 99 1.207 -0.375 7.995 589 HA ARG 99 HA ARG 99 -1.642 0.225 8.622 590 HB2 ARG 99 2HB ARG 99 0.686 1.151 9.775 591 HB3 ARG 99 3HB ARG 99 0.335 2.461 8.638 592 HG2 ARG 99 2HG ARG 99 -2.046 2.484 9.558 593 HG3 ARG 99 3HG ARG 99 -1.522 1.271 10.743 594 HD2 ARG 99 2HD ARG 99 0.282 2.952 11.443 595 HD3 ARG 99 3HD ARG 99 -0.578 4.130 10.450 596 HE ARG 99 HE ARG 99 -2.562 3.062 12.052 597 HH11 ARG 99 1HH1 ARG 99 0.394 4.757 12.856 598 HH12 ARG 99 2HH1 ARG 99 -0.136 5.013 14.520 599 HH21 ARG 99 2HH2 ARG 99 -2.182 4.400 15.130 600 HH22 ARG 99 1HH2 ARG 99 -3.228 3.588 13.975 601 H ILE 100 H ILE 100 -2.951 0.781 7.046 602 HA ILE 100 HA ILE 100 -1.870 2.234 4.649 603 HB ILE 100 HB ILE 100 -4.107 0.170 4.406 604 HG12 ILE 100 2HG1 ILE 100 -1.155 -0.495 4.195 605 HG13 ILE 100 3HG1 ILE 100 -2.403 -1.189 5.255 606 HG21 ILE 100 1HG2 ILE 100 -2.151 1.256 2.343 607 HG22 ILE 100 2HG2 ILE 100 -3.555 0.209 2.038 608 HG23 ILE 100 3HG2 ILE 100 -3.812 1.842 2.576 609 HD11 ILE 100 3HD1 ILE 100 -2.107 -2.820 3.606 610 HD12 ILE 100 1HD1 ILE 100 -3.609 -1.963 3.176 611 HD13 ILE 100 2HD1 ILE 100 -2.104 -1.637 2.291 612 H PHE 101 H PHE 101 -2.627 3.710 3.863 613 HA PHE 101 HA PHE 101 -5.140 4.909 4.896 614 HB2 PHE 101 2HB PHE 101 -2.575 6.107 3.813 615 HB3 PHE 101 3HB PHE 101 -3.856 6.912 4.608 616 HD1 PHE 101 1HD PHE 101 -4.045 4.881 7.053 617 HD2 PHE 101 2HD PHE 101 -0.803 6.961 5.098 618 HE1 PHE 101 1HE PHE 101 -2.704 4.790 9.135 619 HE2 PHE 101 2HE PHE 101 0.437 7.006 7.210 620 HZ PHE 101 HZ PHE 101 -0.488 5.920 9.242 621 H THR 102 H THR 102 -6.692 5.081 3.344 622 HA THR 102 HA THR 102 -5.960 5.508 0.443 623 HB THR 102 HB THR 102 -8.055 4.189 -0.087 624 HG1 THR 102 1HG THR 102 -9.142 3.595 1.556 625 HG21 THR 102 1HG2 THR 102 -5.840 3.204 -0.490 626 HG22 THR 102 2HG2 THR 102 -6.990 1.969 0.047 627 HG23 THR 102 3HG2 THR 102 -5.779 2.607 1.185 628 H SER 103 H SER 103 -7.369 6.664 -0.721 629 HA SER 103 HA SER 103 -9.843 7.702 0.358 630 HB2 SER 103 2HB SER 103 -8.912 10.103 -0.185 631 HB3 SER 103 3HB SER 103 -8.685 9.410 1.406 632 HG SER 103 HG SER 103 -6.870 10.383 -0.197 633 H VAL 104 H VAL 104 -10.665 9.488 -1.338 634 HA VAL 104 HA VAL 104 -9.916 8.656 -4.074 635 HB VAL 104 HB VAL 104 -11.572 7.062 -3.438 636 HG11 VAL 104 1HG1 VAL 104 -13.653 9.200 -3.155 637 HG12 VAL 104 2HG1 VAL 104 -13.780 7.440 -2.896 638 HG13 VAL 104 3HG1 VAL 104 -12.843 8.412 -1.768 639 HG21 VAL 104 3HG2 VAL 104 -12.852 8.976 -5.415 640 HG22 VAL 104 1HG2 VAL 104 -11.471 7.925 -5.761 641 HG23 VAL 104 2HG2 VAL 104 -12.997 7.206 -5.340 642 HA PRO 105 HA PRO 105 -10.613 13.020 -4.424 643 HB2 PRO 105 2HB PRO 105 -9.601 13.466 -6.889 644 HB3 PRO 105 3HB PRO 105 -8.590 12.932 -5.511 645 HG2 PRO 105 2HG PRO 105 -9.844 11.239 -7.703 646 HG3 PRO 105 3HG PRO 105 -8.152 11.159 -7.182 647 HD2 PRO 105 2HD PRO 105 -9.989 9.436 -6.244 648 HD3 PRO 105 3HD PRO 105 -8.637 10.002 -5.278 649 H LYS 106 H LYS 106 -12.637 13.830 -4.646 650 HA LYS 106 HA LYS 106 -14.030 13.770 -7.247 651 HB2 LYS 106 2HB LYS 106 -14.768 11.736 -6.123 652 HB3 LYS 106 3HB LYS 106 -15.168 12.650 -4.655 653 HG2 LYS 106 2HG LYS 106 -16.837 13.899 -5.783 654 HG3 LYS 106 3HG LYS 106 -16.424 13.225 -7.366 655 HD2 LYS 106 2HD LYS 106 -17.562 11.660 -5.004 656 HD3 LYS 106 3HD LYS 106 -18.499 12.239 -6.376 657 HE2 LYS 106 2HE LYS 106 -16.241 10.184 -6.507 658 HE3 LYS 106 3HE LYS 106 -17.967 9.845 -6.551 659 HZ1 LYS 106 3HZ LYS 106 -16.385 11.208 -8.651 660 HZ2 LYS 106 1HZ LYS 106 -18.009 11.360 -8.578 661 HZ3 LYS 106 2HZ LYS 106 -17.333 9.877 -8.790 662 H ARG 107 H ARG 107 -13.801 15.916 -7.474 663 HA ARG 107 HA ARG 107 -14.731 17.794 -5.359 664 HB2 ARG 107 2HB ARG 107 -12.443 18.008 -6.360 665 HB3 ARG 107 3HB ARG 107 -13.199 18.416 -7.904 666 HG2 ARG 107 2HG ARG 107 -14.208 20.423 -6.916 667 HG3 ARG 107 3HG ARG 107 -13.699 19.913 -5.294 668 HD2 ARG 107 2HD ARG 107 -11.332 20.124 -5.943 669 HD3 ARG 107 3HD ARG 107 -11.822 20.699 -7.550 670 HE ARG 107 HE ARG 107 -13.133 22.345 -5.687 671 HH11 ARG 107 1HH1 ARG 107 -9.686 21.669 -6.224 672 HH12 ARG 107 2HH1 ARG 107 -9.285 23.253 -5.552 673 HH21 ARG 107 2HH2 ARG 107 -10.666 24.660 -5.093 674 HH22 ARG 107 1HH2 ARG 107 -12.405 24.423 -5.300
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