NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
534133 | 2lhg | 17843 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 THR 1 1H THR 1 5.468 14.076 -5.427 2 H2 THR 1 2H THR 1 6.404 13.455 -4.434 3 H3 THR 1 3H THR 1 4.944 13.579 -4.112 4 HA THR 1 HA THR 1 6.920 15.487 -3.410 5 HB THR 1 HB THR 1 4.852 16.567 -5.372 6 HG1 THR 1 1HG THR 1 6.771 17.060 -6.592 7 HG21 THR 1 3HG2 THR 1 7.073 17.958 -3.821 8 HG22 THR 1 1HG2 THR 1 6.018 18.719 -5.034 9 HG23 THR 1 2HG2 THR 1 5.329 18.117 -3.507 10 H THR 2 H THR 2 3.405 15.189 -3.941 11 HA THR 2 HA THR 2 2.583 16.953 -1.890 12 HB THR 2 HB THR 2 1.231 14.389 -2.835 13 HG1 THR 2 1HG THR 2 0.053 15.913 -4.140 14 HG21 THR 2 3HG2 THR 2 0.119 16.804 -1.350 15 HG22 THR 2 1HG2 THR 2 -0.832 15.432 -1.965 16 HG23 THR 2 2HG2 THR 2 0.356 15.181 -0.663 17 H TYR 3 H TYR 3 3.087 13.422 -1.669 18 HA TYR 3 HA TYR 3 2.565 13.408 1.199 19 HB2 TYR 3 1HB TYR 3 3.237 11.107 1.115 20 HB3 TYR 3 2HB TYR 3 2.143 11.472 -0.242 21 HD1 TYR 3 1HD TYR 3 5.592 10.595 0.705 22 HD2 TYR 3 2HD TYR 3 2.959 11.444 -2.539 23 HE1 TYR 3 1HE TYR 3 7.270 9.699 -0.880 24 HE2 TYR 3 2HE TYR 3 4.622 10.553 -4.136 25 HH TYR 3 HH TYR 3 6.606 9.395 -4.353 26 H LYS 4 H LYS 4 5.257 14.245 -0.716 27 HA LYS 4 HA LYS 4 7.233 13.666 1.399 28 HB2 LYS 4 1HB LYS 4 7.412 15.178 -1.211 29 HB3 LYS 4 2HB LYS 4 8.774 14.875 -0.108 30 HG2 LYS 4 1HG LYS 4 8.460 12.436 -0.429 31 HG3 LYS 4 2HG LYS 4 7.152 12.776 -1.587 32 HD2 LYS 4 1HD LYS 4 8.718 13.960 -3.045 33 HD3 LYS 4 2HD LYS 4 10.031 13.699 -1.874 34 HE2 LYS 4 1HE LYS 4 9.746 11.249 -2.149 35 HE3 LYS 4 2HE LYS 4 8.509 11.557 -3.390 36 HZ1 LYS 4 3HZ LYS 4 11.336 12.389 -3.543 37 HZ2 LYS 4 1HZ LYS 4 10.661 11.129 -4.366 38 HZ3 LYS 4 2HZ LYS 4 10.189 12.675 -4.694 39 H LEU 5 H LEU 5 5.127 16.248 0.471 40 HA LEU 5 HA LEU 5 6.701 18.239 2.010 41 HB2 LEU 5 1HB LEU 5 4.189 18.305 0.474 42 HB3 LEU 5 2HB LEU 5 4.817 19.801 1.203 43 HG LEU 5 HG LEU 5 6.126 18.149 -0.993 44 HD11 LEU 5 1HD1 LEU 5 5.756 20.208 -2.379 45 HD12 LEU 5 2HD1 LEU 5 4.218 19.555 -1.768 46 HD13 LEU 5 3HD1 LEU 5 4.951 20.979 -0.992 47 HD21 LEU 5 3HD2 LEU 5 7.798 19.059 0.509 48 HD22 LEU 5 1HD2 LEU 5 7.845 19.923 -1.046 49 HD23 LEU 5 2HD2 LEU 5 7.081 20.682 0.370 50 H ILE 6 H ILE 6 3.805 16.290 2.271 51 HA ILE 6 HA ILE 6 3.254 17.572 4.939 52 HB ILE 6 HB ILE 6 1.332 16.167 3.024 53 HG12 ILE 6 1HG1 ILE 6 1.406 19.048 3.878 54 HG13 ILE 6 2HG1 ILE 6 2.062 18.423 2.348 55 HG21 ILE 6 1HG2 ILE 6 -0.404 16.827 4.656 56 HG22 ILE 6 2HG2 ILE 6 0.800 15.751 5.403 57 HG23 ILE 6 3HG2 ILE 6 0.853 17.500 5.721 58 HD11 ILE 6 3HD1 ILE 6 -0.841 18.267 3.232 59 HD12 ILE 6 1HD1 ILE 6 -0.179 19.391 2.023 60 HD13 ILE 6 2HD1 ILE 6 -0.183 17.641 1.702 61 H LEU 7 H LEU 7 3.807 16.479 6.592 62 HA LEU 7 HA LEU 7 4.692 13.746 6.373 63 HB2 LEU 7 1HB LEU 7 4.000 15.535 8.604 64 HB3 LEU 7 2HB LEU 7 4.720 13.950 8.971 65 HG LEU 7 HG LEU 7 6.024 16.200 7.391 66 HD11 LEU 7 1HD1 LEU 7 7.599 16.310 9.341 67 HD12 LEU 7 2HD1 LEU 7 5.924 16.640 9.842 68 HD13 LEU 7 3HD1 LEU 7 6.649 15.046 10.158 69 HD21 LEU 7 3HD2 LEU 7 6.684 14.022 6.554 70 HD22 LEU 7 1HD2 LEU 7 8.042 14.777 7.423 71 HD23 LEU 7 2HD2 LEU 7 7.096 13.483 8.199 72 H ASN 8 H ASN 8 1.638 15.215 7.261 73 HA ASN 8 HA ASN 8 0.423 12.850 8.372 74 HB2 ASN 8 1HB ASN 8 -1.031 15.267 7.054 75 HB3 ASN 8 2HB ASN 8 -1.533 13.721 7.782 76 HD21 ASN 8 2HD2 ASN 8 -1.987 16.550 8.554 77 HD22 ASN 8 1HD2 ASN 8 -1.456 16.663 10.199 78 H LEU 9 H LEU 9 1.090 13.866 5.106 79 HA LEU 9 HA LEU 9 -0.555 11.622 4.043 80 HB2 LEU 9 1HB LEU 9 1.047 13.755 2.791 81 HB3 LEU 9 2HB LEU 9 0.084 12.641 1.793 82 HG LEU 9 HG LEU 9 -0.953 14.713 3.766 83 HD11 LEU 9 1HD1 LEU 9 -2.009 15.709 1.719 84 HD12 LEU 9 2HD1 LEU 9 -0.239 15.630 1.559 85 HD13 LEU 9 3HD1 LEU 9 -1.262 14.432 0.730 86 HD21 LEU 9 3HD2 LEU 9 -2.300 12.701 3.887 87 HD22 LEU 9 1HD2 LEU 9 -3.213 13.994 3.075 88 HD23 LEU 9 2HD2 LEU 9 -2.484 12.682 2.118 89 H LYS 10 H LYS 10 2.707 12.467 4.800 90 HA LYS 10 HA LYS 10 4.066 10.514 3.209 91 HB2 LYS 10 1HB LYS 10 5.171 12.285 4.505 92 HB3 LYS 10 2HB LYS 10 4.671 11.478 6.010 93 HG2 LYS 10 1HG LYS 10 6.035 9.524 5.436 94 HG3 LYS 10 2HG LYS 10 6.510 10.293 3.902 95 HD2 LYS 10 1HD LYS 10 7.583 12.124 5.146 96 HD3 LYS 10 2HD LYS 10 7.103 11.363 6.682 97 HE2 LYS 10 1HE LYS 10 8.437 9.376 6.112 98 HE3 LYS 10 2HE LYS 10 8.927 10.145 4.585 99 HZ1 LYS 10 3HZ LYS 10 9.536 11.158 7.289 100 HZ2 LYS 10 1HZ LYS 10 10.603 10.398 6.286 101 HZ3 LYS 10 2HZ LYS 10 9.990 11.873 5.873 102 H GLN 11 H GLN 11 2.154 10.231 6.137 103 HA GLN 11 HA GLN 11 3.040 7.589 6.860 104 HB2 GLN 11 1HB GLN 11 0.458 9.083 7.358 105 HB3 GLN 11 2HB GLN 11 0.847 7.497 8.065 106 HG2 GLN 11 1HG GLN 11 2.923 8.759 9.283 107 HG3 GLN 11 2HG GLN 11 2.174 10.051 8.313 108 HE21 GLN 11 2HE2 GLN 11 2.576 10.322 11.047 109 HE22 GLN 11 1HE2 GLN 11 1.043 10.324 11.853 110 H ALA 12 H ALA 12 1.011 8.741 4.337 111 HA ALA 12 HA ALA 12 -0.645 6.433 4.005 112 HB1 ALA 12 1HB ALA 12 -0.995 7.279 1.715 113 HB2 ALA 12 2HB ALA 12 -1.133 8.581 2.921 114 HB3 ALA 12 3HB ALA 12 0.343 8.430 1.938 115 H LYS 13 H LYS 13 2.442 7.337 2.444 116 HA LYS 13 HA LYS 13 2.648 4.857 0.965 117 HB2 LYS 13 1HB LYS 13 4.754 5.583 0.318 118 HB3 LYS 13 2HB LYS 13 3.791 7.070 0.486 119 HG2 LYS 13 1HG LYS 13 4.855 7.621 2.562 120 HG3 LYS 13 2HG LYS 13 5.650 6.031 2.644 121 HD2 LYS 13 1HD LYS 13 6.916 6.594 0.580 122 HD3 LYS 13 2HD LYS 13 6.170 8.209 0.591 123 HE2 LYS 13 1HE LYS 13 7.171 8.674 2.775 124 HE3 LYS 13 2HE LYS 13 7.890 7.047 2.804 125 HZ1 LYS 13 3HZ LYS 13 8.507 9.159 0.839 126 HZ2 LYS 13 1HZ LYS 13 9.473 8.707 2.096 127 HZ3 LYS 13 2HZ LYS 13 9.173 7.651 0.866 128 H GLU 14 H GLU 14 3.470 5.810 4.212 129 HA GLU 14 HA GLU 14 5.306 3.616 4.718 130 HB2 GLU 14 1HB GLU 14 3.662 5.392 6.522 131 HB3 GLU 14 2HB GLU 14 4.797 4.154 7.111 132 HG2 GLU 14 1HG GLU 14 6.700 5.400 6.017 133 HG3 GLU 14 2HG GLU 14 5.454 6.488 5.362 134 H GLU 15 H GLU 15 1.823 4.099 5.254 135 HA GLU 15 HA GLU 15 1.414 1.419 6.306 136 HB2 GLU 15 1HB GLU 15 -0.428 3.466 5.070 137 HB3 GLU 15 2HB GLU 15 -0.974 1.892 5.697 138 HG2 GLU 15 1HG GLU 15 -0.147 2.571 8.003 139 HG3 GLU 15 2HG GLU 15 0.402 4.069 7.216 140 H ALA 16 H ALA 16 1.494 2.839 3.094 141 HA ALA 16 HA ALA 16 0.341 0.607 1.715 142 HB1 ALA 16 1HB ALA 16 1.424 1.561 -0.283 143 HB2 ALA 16 2HB ALA 16 0.596 2.814 0.673 144 HB3 ALA 16 3HB ALA 16 2.367 2.656 0.753 145 H ILE 17 H ILE 17 3.738 1.458 2.416 146 HA ILE 17 HA ILE 17 4.737 -1.058 1.280 147 HB ILE 17 HB ILE 17 6.904 -0.352 2.216 148 HG12 ILE 17 1HG1 ILE 17 5.365 1.892 3.497 149 HG13 ILE 17 2HG1 ILE 17 6.044 0.472 4.329 150 HG21 ILE 17 1HG2 ILE 17 7.160 1.809 1.046 151 HG22 ILE 17 2HG2 ILE 17 6.185 0.673 0.084 152 HG23 ILE 17 3HG2 ILE 17 5.391 1.986 0.984 153 HD11 ILE 17 3HD1 ILE 17 7.635 2.592 2.843 154 HD12 ILE 17 1HD1 ILE 17 7.493 2.445 4.610 155 HD13 ILE 17 2HD1 ILE 17 8.314 1.172 3.674 156 H LYS 18 H LYS 18 3.487 -0.065 4.337 157 HA LYS 18 HA LYS 18 4.568 -2.251 5.883 158 HB2 LYS 18 1HB LYS 18 3.523 -0.263 6.864 159 HB3 LYS 18 2HB LYS 18 1.961 -0.747 6.162 160 HG2 LYS 18 1HG LYS 18 1.940 -2.767 7.541 161 HG3 LYS 18 2HG LYS 18 3.535 -2.346 8.210 162 HD2 LYS 18 1HD LYS 18 2.598 -0.302 9.192 163 HD3 LYS 18 2HD LYS 18 1.007 -0.685 8.496 164 HE2 LYS 18 1HE LYS 18 0.949 -2.773 9.813 165 HE3 LYS 18 2HE LYS 18 2.517 -2.348 10.535 166 HZ1 LYS 18 3HZ LYS 18 0.029 -0.786 10.801 167 HZ2 LYS 18 1HZ LYS 18 0.687 -1.747 11.969 168 HZ3 LYS 18 2HZ LYS 18 1.485 -0.391 11.471 169 H GLU 19 H GLU 19 1.543 -1.883 4.032 170 HA GLU 19 HA GLU 19 0.592 -4.547 4.585 171 HB2 GLU 19 1HB GLU 19 0.051 -2.594 2.349 172 HB3 GLU 19 2HB GLU 19 -0.772 -4.164 2.511 173 HG2 GLU 19 1HG GLU 19 -1.734 -3.406 4.724 174 HG3 GLU 19 2HG GLU 19 -0.763 -1.933 4.501 175 H LEU 20 H LEU 20 2.714 -3.214 2.101 176 HA LEU 20 HA LEU 20 2.733 -5.616 0.480 177 HB2 LEU 20 1HB LEU 20 4.409 -3.235 0.808 178 HB3 LEU 20 2HB LEU 20 4.963 -4.450 -0.368 179 HG LEU 20 HG LEU 20 2.288 -3.004 -0.470 180 HD11 LEU 20 1HD1 LEU 20 3.273 -1.778 -2.426 181 HD12 LEU 20 2HD1 LEU 20 4.191 -1.461 -0.935 182 HD13 LEU 20 3HD1 LEU 20 4.822 -2.606 -2.145 183 HD21 LEU 20 3HD2 LEU 20 2.219 -5.213 -1.465 184 HD22 LEU 20 1HD2 LEU 20 2.125 -3.972 -2.737 185 HD23 LEU 20 2HD2 LEU 20 3.651 -4.844 -2.455 186 H VAL 21 H VAL 21 4.963 -4.316 2.937 187 HA VAL 21 HA VAL 21 6.808 -6.574 2.706 188 HB VAL 21 HB VAL 21 7.315 -4.189 3.609 189 HG11 VAL 21 1HG1 VAL 21 7.031 -3.959 6.054 190 HG12 VAL 21 2HG1 VAL 21 5.457 -4.107 5.236 191 HG13 VAL 21 3HG1 VAL 21 6.149 -5.503 6.097 192 HG21 VAL 21 3HG2 VAL 21 8.919 -6.004 3.618 193 HG22 VAL 21 1HG2 VAL 21 9.031 -5.055 5.118 194 HG23 VAL 21 2HG2 VAL 21 8.221 -6.640 5.127 195 H ASP 22 H ASP 22 3.922 -5.946 4.560 196 HA ASP 22 HA ASP 22 4.292 -8.285 6.278 197 HB2 ASP 22 1HB ASP 22 1.822 -6.556 5.663 198 HB3 ASP 22 2HB ASP 22 1.926 -8.043 6.638 199 H ALA 23 H ALA 23 2.738 -7.613 3.180 200 HA ALA 23 HA ALA 23 1.608 -10.291 2.978 201 HB1 ALA 23 1HB ALA 23 1.115 -9.646 0.651 202 HB2 ALA 23 2HB ALA 23 0.586 -8.396 1.802 203 HB3 ALA 23 3HB ALA 23 2.078 -8.165 0.860 204 H GLY 24 H GLY 24 4.703 -8.903 2.473 205 HA2 GLY 24 1HA GLY 24 6.682 -10.117 2.104 206 HA3 GLY 24 2HA GLY 24 5.716 -11.532 1.625 207 H ILE 25 H ILE 25 5.004 -8.414 0.249 208 HA ILE 25 HA ILE 25 5.913 -9.423 -2.418 209 HB ILE 25 HB ILE 25 4.148 -7.037 -1.700 210 HG12 ILE 25 1HG1 ILE 25 3.290 -9.663 -2.874 211 HG13 ILE 25 2HG1 ILE 25 3.246 -9.299 -1.133 212 HG21 ILE 25 1HG2 ILE 25 3.599 -7.051 -4.110 213 HG22 ILE 25 2HG2 ILE 25 5.341 -6.800 -3.852 214 HG23 ILE 25 3HG2 ILE 25 4.738 -8.394 -4.362 215 HD11 ILE 25 3HD1 ILE 25 1.761 -7.779 -3.305 216 HD12 ILE 25 1HD1 ILE 25 1.040 -8.944 -2.171 217 HD13 ILE 25 2HD1 ILE 25 1.719 -7.415 -1.563 218 H ALA 26 H ALA 26 8.122 -9.142 -2.031 219 HA ALA 26 HA ALA 26 9.211 -6.593 -1.287 220 HB1 ALA 26 1HB ALA 26 11.360 -7.543 -2.029 221 HB2 ALA 26 2HB ALA 26 10.459 -8.687 -1.008 222 HB3 ALA 26 3HB ALA 26 10.498 -8.908 -2.774 223 H GLU 27 H GLU 27 8.565 -8.119 -4.421 224 HA GLU 27 HA GLU 27 9.989 -6.368 -6.100 225 HB2 GLU 27 1HB GLU 27 8.856 -8.396 -6.854 226 HB3 GLU 27 2HB GLU 27 7.278 -7.628 -6.553 227 HG2 GLU 27 1HG GLU 27 7.815 -5.921 -8.363 228 HG3 GLU 27 2HG GLU 27 9.374 -6.765 -8.504 229 H LYS 28 H LYS 28 6.650 -5.987 -4.896 230 HA LYS 28 HA LYS 28 6.460 -3.341 -6.185 231 HB2 LYS 28 1HB LYS 28 4.560 -4.734 -4.295 232 HB3 LYS 28 2HB LYS 28 4.222 -3.298 -5.290 233 HG2 LYS 28 1HG LYS 28 4.790 -6.105 -6.302 234 HG3 LYS 28 2HG LYS 28 3.208 -5.291 -6.284 235 HD2 LYS 28 1HD LYS 28 3.970 -3.633 -7.863 236 HD3 LYS 28 2HD LYS 28 5.639 -4.246 -7.770 237 HE2 LYS 28 1HE LYS 28 4.914 -6.385 -8.731 238 HE3 LYS 28 2HE LYS 28 3.243 -5.785 -8.816 239 HZ1 LYS 28 3HZ LYS 28 5.549 -4.645 -10.261 240 HZ2 LYS 28 1HZ LYS 28 4.368 -5.584 -10.929 241 HZ3 LYS 28 2HZ LYS 28 3.998 -4.087 -10.340 242 H TYR 29 H TYR 29 7.058 -4.670 -2.992 243 HA TYR 29 HA TYR 29 6.788 -2.342 -1.415 244 HB2 TYR 29 1HB TYR 29 7.314 -4.515 -0.485 245 HB3 TYR 29 2HB TYR 29 8.886 -4.517 -1.322 246 HD1 TYR 29 1HD TYR 29 6.928 -2.922 1.397 247 HD2 TYR 29 2HD TYR 29 10.767 -3.353 -0.406 248 HE1 TYR 29 1HE TYR 29 7.961 -1.801 3.350 249 HE2 TYR 29 2HE TYR 29 11.816 -2.236 1.534 250 HH TYR 29 HH TYR 29 11.480 -1.253 3.561 251 H PHE 30 H PHE 30 9.394 -3.266 -3.626 252 HA PHE 30 HA PHE 30 10.903 -0.813 -2.864 253 HB2 PHE 30 1HB PHE 30 11.597 -3.232 -4.581 254 HB3 PHE 30 2HB PHE 30 12.651 -1.810 -4.404 255 HD1 PHE 30 2HD PHE 30 13.212 -1.140 -1.944 256 HD2 PHE 30 1HD PHE 30 11.882 -5.007 -3.185 257 HE1 PHE 30 2HE PHE 30 14.220 -2.134 0.082 258 HE2 PHE 30 1HE PHE 30 12.887 -6.003 -1.157 259 HZ PHE 30 HZ PHE 30 14.055 -4.567 0.477 260 H LYS 31 H LYS 31 8.909 -2.095 -5.415 261 HA LYS 31 HA LYS 31 9.872 0.029 -7.284 262 HB2 LYS 31 1HB LYS 31 8.204 -2.453 -7.711 263 HB3 LYS 31 2HB LYS 31 8.586 -1.254 -8.970 264 HG2 LYS 31 1HG LYS 31 11.007 -1.742 -8.639 265 HG3 LYS 31 2HG LYS 31 10.562 -3.012 -7.475 266 HD2 LYS 31 1HD LYS 31 9.271 -4.160 -9.249 267 HD3 LYS 31 2HD LYS 31 9.780 -2.910 -10.408 268 HE2 LYS 31 1HE LYS 31 12.132 -3.521 -10.035 269 HE3 LYS 31 2HE LYS 31 11.623 -4.775 -8.881 270 HZ1 LYS 31 3HZ LYS 31 10.936 -4.703 -11.749 271 HZ2 LYS 31 1HZ LYS 31 12.059 -5.692 -11.057 272 HZ3 LYS 31 2HZ LYS 31 10.462 -5.866 -10.679 273 H LEU 32 H LEU 32 6.776 -1.425 -6.203 274 HA LEU 32 HA LEU 32 5.168 0.293 -7.774 275 HB2 LEU 32 1HB LEU 32 4.418 -1.670 -6.869 276 HB3 LEU 32 2HB LEU 32 4.543 -1.186 -5.162 277 HG LEU 32 HG LEU 32 2.849 0.633 -5.675 278 HD11 LEU 32 1HD1 LEU 32 1.410 0.262 -7.696 279 HD12 LEU 32 2HD1 LEU 32 3.096 0.596 -8.155 280 HD13 LEU 32 3HD1 LEU 32 2.477 -1.073 -8.192 281 HD21 LEU 32 3HD2 LEU 32 2.245 -1.380 -4.465 282 HD22 LEU 32 1HD2 LEU 32 0.913 -0.897 -5.543 283 HD23 LEU 32 2HD2 LEU 32 1.977 -2.252 -5.993 284 H ILE 33 H ILE 33 5.868 0.604 -4.275 285 HA ILE 33 HA ILE 33 4.389 3.138 -4.180 286 HB ILE 33 HB ILE 33 6.179 1.799 -2.099 287 HG12 ILE 33 1HG1 ILE 33 4.411 0.335 -2.633 288 HG13 ILE 33 2HG1 ILE 33 4.089 1.091 -1.056 289 HG21 ILE 33 1HG2 ILE 33 4.988 3.260 -0.500 290 HG22 ILE 33 2HG2 ILE 33 5.858 4.221 -1.719 291 HG23 ILE 33 3HG2 ILE 33 4.096 4.008 -1.846 292 HD11 ILE 33 3HD1 ILE 33 2.807 1.875 -3.697 293 HD12 ILE 33 1HD1 ILE 33 2.032 0.934 -2.402 294 HD13 ILE 33 2HD1 ILE 33 2.487 2.631 -2.119 295 H ALA 34 H ALA 34 7.740 2.195 -4.479 296 HA ALA 34 HA ALA 34 8.840 4.784 -3.912 297 HB1 ALA 34 1HB ALA 34 10.830 3.956 -5.108 298 HB2 ALA 34 2HB ALA 34 10.213 2.750 -3.954 299 HB3 ALA 34 3HB ALA 34 9.896 2.562 -5.695 300 H ASN 35 H ASN 35 7.091 3.532 -6.607 301 HA ASN 35 HA ASN 35 7.988 5.771 -8.359 302 HB2 ASN 35 1HB ASN 35 6.158 3.380 -9.147 303 HB3 ASN 35 2HB ASN 35 6.667 4.911 -9.900 304 HD21 ASN 35 2HD2 ASN 35 7.125 1.962 -10.454 305 HD22 ASN 35 1HD2 ASN 35 8.839 1.841 -10.686 306 H ALA 36 H ALA 36 6.255 5.970 -5.859 307 HA ALA 36 HA ALA 36 3.756 7.036 -6.960 308 HB1 ALA 36 1HB ALA 36 3.304 7.712 -4.634 309 HB2 ALA 36 2HB ALA 36 3.776 6.000 -4.737 310 HB3 ALA 36 3HB ALA 36 4.948 7.214 -4.172 311 H LYS 37 H LYS 37 3.213 9.080 -7.376 312 HA LYS 37 HA LYS 37 5.395 11.119 -7.141 313 HB2 LYS 37 1HB LYS 37 2.935 10.990 -8.891 314 HB3 LYS 37 2HB LYS 37 4.048 12.376 -8.799 315 HG2 LYS 37 1HG LYS 37 5.887 10.932 -9.610 316 HG3 LYS 37 2HG LYS 37 4.744 9.573 -9.743 317 HD2 LYS 37 1HD LYS 37 3.403 10.876 -11.361 318 HD3 LYS 37 2HD LYS 37 4.577 12.208 -11.246 319 HE2 LYS 37 1HE LYS 37 6.332 10.820 -12.153 320 HE3 LYS 37 2HE LYS 37 5.275 9.389 -12.116 321 HZ1 LYS 37 3HZ LYS 37 4.856 11.789 -13.781 322 HZ2 LYS 37 1HZ LYS 37 5.418 10.335 -14.320 323 HZ3 LYS 37 2HZ LYS 37 3.875 10.463 -13.748 324 H THR 38 H THR 38 1.890 10.669 -6.662 325 HA THR 38 HA THR 38 2.075 12.786 -4.543 326 HB THR 38 HB THR 38 -0.220 13.423 -5.003 327 HG1 THR 38 1HG THR 38 -1.327 12.413 -6.783 328 HG21 THR 38 3HG2 THR 38 1.357 13.240 -7.601 329 HG22 THR 38 1HG2 THR 38 -0.002 14.344 -7.285 330 HG23 THR 38 2HG2 THR 38 1.518 14.520 -6.375 331 H VAL 39 H VAL 39 0.298 12.613 -2.920 332 HA VAL 39 HA VAL 39 0.239 9.955 -1.736 333 HB VAL 39 HB VAL 39 -0.015 12.233 -0.529 334 HG11 VAL 39 1HG1 VAL 39 -2.348 13.014 -0.294 335 HG12 VAL 39 2HG1 VAL 39 -1.800 13.132 -1.983 336 HG13 VAL 39 3HG1 VAL 39 -2.874 11.802 -1.486 337 HG21 VAL 39 3HG2 VAL 39 -0.253 10.093 0.583 338 HG22 VAL 39 1HG2 VAL 39 -1.454 11.258 1.189 339 HG23 VAL 39 2HG2 VAL 39 -1.946 9.982 0.050 340 H GLU 40 H GLU 40 -1.812 11.608 -4.014 341 HA GLU 40 HA GLU 40 -3.961 9.642 -3.835 342 HB2 GLU 40 1HB GLU 40 -3.148 11.629 -5.960 343 HB3 GLU 40 2HB GLU 40 -4.580 10.577 -6.067 344 HG2 GLU 40 1HG GLU 40 -5.526 11.709 -4.002 345 HG3 GLU 40 2HG GLU 40 -4.002 12.626 -3.967 346 H GLY 41 H GLY 41 -1.038 10.010 -5.815 347 HA2 GLY 41 1HA GLY 41 -1.347 7.653 -7.372 348 HA3 GLY 41 2HA GLY 41 0.202 8.371 -6.872 349 H VAL 42 H VAL 42 -0.051 8.155 -4.086 350 HA VAL 42 HA VAL 42 0.592 5.372 -3.572 351 HB VAL 42 HB VAL 42 -0.129 7.663 -1.698 352 HG11 VAL 42 1HG1 VAL 42 0.813 6.231 0.084 353 HG12 VAL 42 2HG1 VAL 42 -0.610 5.469 -0.666 354 HG13 VAL 42 3HG1 VAL 42 1.026 4.911 -1.091 355 HG21 VAL 42 3HG2 VAL 42 1.911 8.050 -2.946 356 HG22 VAL 42 1HG2 VAL 42 2.269 7.723 -1.234 357 HG23 VAL 42 2HG2 VAL 42 2.536 6.456 -2.456 358 H TRP 43 H TRP 43 -2.349 7.288 -3.061 359 HA TRP 43 HA TRP 43 -3.792 5.160 -1.756 360 HB2 TRP 43 1HB TRP 43 -4.709 7.639 -3.272 361 HB3 TRP 43 2HB TRP 43 -5.815 6.530 -2.429 362 HD1 TRP 43 HD TRP 43 -3.631 6.189 -0.065 363 HE1 TRP 43 1HE TRP 43 -3.600 8.105 1.841 364 HE3 TRP 43 3HE TRP 43 -5.941 9.876 -2.694 365 HZ2 TRP 43 2HZ TRP 43 -4.468 10.723 2.013 366 HZ3 TRP 43 3HZ TRP 43 -6.329 12.033 -1.674 367 HH2 TRP 43 HH TRP 43 -5.628 12.513 0.631 368 H THR 44 H THR 44 -3.365 6.064 -5.148 369 HA THR 44 HA THR 44 -5.123 4.044 -6.218 370 HB THR 44 HB THR 44 -2.600 5.285 -7.396 371 HG1 THR 44 1HG THR 44 -4.185 6.560 -8.523 372 HG21 THR 44 3HG2 THR 44 -4.849 3.714 -8.715 373 HG22 THR 44 1HG2 THR 44 -3.501 4.510 -9.561 374 HG23 THR 44 2HG2 THR 44 -3.183 3.138 -8.472 375 H TYR 45 H TYR 45 -1.670 4.013 -5.366 376 HA TYR 45 HA TYR 45 -1.233 1.286 -6.209 377 HB2 TYR 45 1HB TYR 45 0.188 3.002 -4.164 378 HB3 TYR 45 2HB TYR 45 0.758 1.422 -4.753 379 HD1 TYR 45 1HD TYR 45 -0.552 2.424 -7.620 380 HD2 TYR 45 2HD TYR 45 2.524 3.746 -4.981 381 HE1 TYR 45 1HE TYR 45 0.585 3.540 -9.517 382 HE2 TYR 45 2HE TYR 45 3.673 4.865 -6.862 383 HH TYR 45 HH TYR 45 3.636 5.338 -9.090 384 H LYS 46 H LYS 46 -2.501 2.732 -3.278 385 HA LYS 46 HA LYS 46 -2.295 0.528 -1.514 386 HB2 LYS 46 1HB LYS 46 -3.092 2.774 -0.905 387 HB3 LYS 46 2HB LYS 46 -4.584 2.478 -1.827 388 HG2 LYS 46 1HG LYS 46 -5.182 0.650 -0.311 389 HG3 LYS 46 2HG LYS 46 -3.669 0.889 0.594 390 HD2 LYS 46 1HD LYS 46 -4.380 3.155 1.213 391 HD3 LYS 46 2HD LYS 46 -5.881 2.947 0.281 392 HE2 LYS 46 1HE LYS 46 -6.536 1.085 1.743 393 HE3 LYS 46 2HE LYS 46 -5.033 1.285 2.673 394 HZ1 LYS 46 3HZ LYS 46 -7.172 3.300 2.420 395 HZ2 LYS 46 1HZ LYS 46 -6.893 2.361 3.747 396 HZ3 LYS 46 2HZ LYS 46 -5.779 3.486 3.283 397 H ASP 47 H ASP 47 -4.805 1.223 -3.947 398 HA ASP 47 HA ASP 47 -6.264 -1.230 -3.467 399 HB2 ASP 47 1HB ASP 47 -6.188 0.624 -5.923 400 HB3 ASP 47 2HB ASP 47 -7.117 -0.874 -5.669 401 H GLU 48 H GLU 48 -3.544 -0.368 -5.544 402 HA GLU 48 HA GLU 48 -3.520 -2.837 -7.040 403 HB2 GLU 48 1HB GLU 48 -1.349 -0.848 -6.365 404 HB3 GLU 48 2HB GLU 48 -1.146 -2.226 -7.475 405 HG2 GLU 48 1HG GLU 48 -3.024 0.173 -7.912 406 HG3 GLU 48 2HG GLU 48 -1.479 -0.234 -8.690 407 H ILE 49 H ILE 49 -2.209 -1.889 -3.918 408 HA ILE 49 HA ILE 49 -0.495 -4.160 -3.514 409 HB ILE 49 HB ILE 49 -2.070 -2.432 -1.555 410 HG12 ILE 49 1HG1 ILE 49 0.875 -2.498 -2.148 411 HG13 ILE 49 2HG1 ILE 49 -0.281 -1.383 -2.913 412 HG21 ILE 49 1HG2 ILE 49 -0.640 -3.423 0.201 413 HG22 ILE 49 2HG2 ILE 49 -1.643 -4.665 -0.585 414 HG23 ILE 49 3HG2 ILE 49 0.080 -4.518 -1.003 415 HD11 ILE 49 3HD1 ILE 49 0.312 -1.564 0.062 416 HD12 ILE 49 1HD1 ILE 49 0.896 -0.297 -1.041 417 HD13 ILE 49 2HD1 ILE 49 -0.845 -0.449 -0.705 418 H LYS 50 H LYS 50 -3.935 -3.706 -2.737 419 HA LYS 50 HA LYS 50 -4.295 -6.388 -1.745 420 HB2 LYS 50 1HB LYS 50 -6.198 -4.396 -2.980 421 HB3 LYS 50 2HB LYS 50 -6.697 -5.960 -2.293 422 HG2 LYS 50 1HG LYS 50 -5.844 -5.274 -0.093 423 HG3 LYS 50 2HG LYS 50 -5.324 -3.715 -0.776 424 HD2 LYS 50 1HD LYS 50 -7.668 -3.198 -1.356 425 HD3 LYS 50 2HD LYS 50 -8.178 -4.745 -0.642 426 HE2 LYS 50 1HE LYS 50 -7.334 -4.036 1.542 427 HE3 LYS 50 2HE LYS 50 -6.768 -2.505 0.840 428 HZ1 LYS 50 3HZ LYS 50 -9.578 -3.390 0.984 429 HZ2 LYS 50 1HZ LYS 50 -8.881 -2.247 1.949 430 HZ3 LYS 50 2HZ LYS 50 -9.054 -1.967 0.332 431 H THR 51 H THR 51 -4.398 -4.980 -4.977 432 HA THR 51 HA THR 51 -5.413 -7.309 -6.324 433 HB THR 51 HB THR 51 -3.533 -5.131 -7.328 434 HG1 THR 51 1HG THR 51 -5.525 -4.321 -8.218 435 HG21 THR 51 3HG2 THR 51 -5.217 -7.165 -8.842 436 HG22 THR 51 1HG2 THR 51 -4.270 -5.848 -9.573 437 HG23 THR 51 2HG2 THR 51 -3.443 -7.171 -8.718 438 H PHE 52 H PHE 52 -2.145 -6.334 -5.373 439 HA PHE 52 HA PHE 52 -0.963 -8.683 -6.711 440 HB2 PHE 52 1HB PHE 52 0.236 -6.541 -4.901 441 HB3 PHE 52 2HB PHE 52 1.159 -7.824 -5.716 442 HD1 PHE 52 2HD PHE 52 0.314 -7.945 -8.370 443 HD2 PHE 52 1HD PHE 52 0.565 -4.512 -5.837 444 HE1 PHE 52 2HE PHE 52 0.573 -6.499 -10.359 445 HE2 PHE 52 1HE PHE 52 0.822 -3.063 -7.824 446 HZ PHE 52 HZ PHE 52 0.826 -4.057 -10.085 447 H THR 53 H THR 53 -2.150 -7.819 -3.559 448 HA THR 53 HA THR 53 -0.783 -9.937 -2.118 449 HB THR 53 HB THR 53 -3.352 -8.428 -1.475 450 HG1 THR 53 1HG THR 53 -1.901 -7.284 -0.062 451 HG21 THR 53 3HG2 THR 53 -1.578 -10.175 0.276 452 HG22 THR 53 1HG2 THR 53 -2.981 -9.230 0.831 453 HG23 THR 53 2HG2 THR 53 -3.213 -10.592 -0.291 454 H VAL 54 H VAL 54 -3.997 -9.656 -3.617 455 HA VAL 54 HA VAL 54 -4.646 -12.469 -2.946 456 HB VAL 54 HB VAL 54 -6.082 -10.433 -4.701 457 HG11 VAL 54 1HG1 VAL 54 -7.995 -11.988 -4.510 458 HG12 VAL 54 2HG1 VAL 54 -6.606 -12.776 -5.296 459 HG13 VAL 54 3HG1 VAL 54 -6.980 -13.124 -3.591 460 HG21 VAL 54 3HG2 VAL 54 -5.994 -9.709 -2.391 461 HG22 VAL 54 1HG2 VAL 54 -7.641 -10.216 -2.832 462 HG23 VAL 54 2HG2 VAL 54 -6.612 -11.289 -1.853 463 H THR 55 H THR 55 -3.816 -14.090 -3.915 464 HA THR 55 HA THR 55 -3.300 -13.848 -6.863 465 HB THR 55 HB THR 55 -1.444 -15.434 -6.583 466 HG1 THR 55 1HG THR 55 -0.798 -15.969 -4.414 467 HG21 THR 55 3HG2 THR 55 -1.243 -13.084 -4.658 468 HG22 THR 55 1HG2 THR 55 0.129 -13.973 -5.363 469 HG23 THR 55 2HG2 THR 55 -0.949 -13.019 -6.412 470 H GLU 56 H GLU 56 -4.964 -15.460 -4.377 471 HA GLU 56 HA GLU 56 -5.513 -17.785 -6.188 472 HB2 GLU 56 1HB GLU 56 -5.892 -17.429 -3.212 473 HB3 GLU 56 2HB GLU 56 -6.429 -18.844 -4.147 474 HG2 GLU 56 1HG GLU 56 -3.986 -19.305 -4.739 475 HG3 GLU 56 2HG GLU 56 -3.635 -17.855 -3.770 Start of MODEL 2 1 H1 THR 1 1H THR 1 -11.592 2.768 2.835 2 H2 THR 1 2H THR 1 -11.578 1.960 4.100 3 H3 THR 1 3H THR 1 -11.339 3.440 4.152 4 HA THR 1 HA THR 1 -9.298 1.481 3.958 5 HB THR 1 HB THR 1 -9.506 3.273 1.501 6 HG1 THR 1 1HG THR 1 -10.775 1.336 1.442 7 HG21 THR 1 3HG2 THR 1 -7.346 1.300 2.346 8 HG22 THR 1 1HG2 THR 1 -7.409 2.174 0.797 9 HG23 THR 1 2HG2 THR 1 -7.183 3.072 2.316 10 H THR 2 H THR 2 -8.148 2.188 5.566 11 HA THR 2 HA THR 2 -7.859 4.907 6.354 12 HB THR 2 HB THR 2 -5.962 2.564 6.806 13 HG1 THR 2 1HG THR 2 -7.090 2.502 8.839 14 HG21 THR 2 3HG2 THR 2 -6.214 5.234 8.248 15 HG22 THR 2 1HG2 THR 2 -5.143 3.894 8.719 16 HG23 THR 2 2HG2 THR 2 -4.873 4.751 7.182 17 H TYR 3 H TYR 3 -5.974 2.950 4.099 18 HA TYR 3 HA TYR 3 -3.718 4.684 3.892 19 HB2 TYR 3 1HB TYR 3 -4.965 2.928 1.769 20 HB3 TYR 3 2HB TYR 3 -3.320 3.610 1.746 21 HD1 TYR 3 1HD TYR 3 -4.127 2.754 5.056 22 HD2 TYR 3 2HD TYR 3 -2.958 0.984 1.356 23 HE1 TYR 3 1HE TYR 3 -3.289 0.770 6.280 24 HE2 TYR 3 2HE TYR 3 -2.118 -1.004 2.561 25 HH TYR 3 HH TYR 3 -2.273 -2.149 4.662 26 H LYS 4 H LYS 4 -6.922 4.896 2.507 27 HA LYS 4 HA LYS 4 -6.043 6.987 0.590 28 HB2 LYS 4 1HB LYS 4 -8.715 5.680 1.116 29 HB3 LYS 4 2HB LYS 4 -8.418 6.936 -0.110 30 HG2 LYS 4 1HG LYS 4 -6.885 5.457 -1.299 31 HG3 LYS 4 2HG LYS 4 -7.079 4.210 -0.044 32 HD2 LYS 4 1HD LYS 4 -9.509 4.104 -0.580 33 HD3 LYS 4 2HD LYS 4 -9.239 5.269 -1.898 34 HE2 LYS 4 1HE LYS 4 -7.668 3.699 -2.960 35 HE3 LYS 4 2HE LYS 4 -7.951 2.533 -1.646 36 HZ1 LYS 4 3HZ LYS 4 -9.991 3.513 -3.538 37 HZ2 LYS 4 1HZ LYS 4 -9.275 2.028 -3.586 38 HZ3 LYS 4 2HZ LYS 4 -10.255 2.432 -2.321 39 H LEU 5 H LEU 5 -6.949 6.851 3.791 40 HA LEU 5 HA LEU 5 -8.225 9.540 3.737 41 HB2 LEU 5 1HB LEU 5 -7.570 7.606 5.864 42 HB3 LEU 5 2HB LEU 5 -8.439 9.109 6.256 43 HG LEU 5 HG LEU 5 -9.447 6.826 4.515 44 HD11 LEU 5 1HD1 LEU 5 -11.160 6.560 6.329 45 HD12 LEU 5 2HD1 LEU 5 -9.511 6.344 6.961 46 HD13 LEU 5 3HD1 LEU 5 -10.377 7.874 7.238 47 HD21 LEU 5 3HD2 LEU 5 -10.200 8.965 3.658 48 HD22 LEU 5 1HD2 LEU 5 -11.562 8.095 4.403 49 HD23 LEU 5 2HD2 LEU 5 -10.782 9.439 5.272 50 H ILE 6 H ILE 6 -5.151 8.173 3.911 51 HA ILE 6 HA ILE 6 -4.025 10.232 5.723 52 HB ILE 6 HB ILE 6 -2.690 8.051 4.052 53 HG12 ILE 6 1HG1 ILE 6 -3.139 8.140 7.021 54 HG13 ILE 6 2HG1 ILE 6 -4.210 7.304 5.871 55 HG21 ILE 6 1HG2 ILE 6 -0.701 8.532 5.439 56 HG22 ILE 6 2HG2 ILE 6 -1.193 9.964 4.507 57 HG23 ILE 6 3HG2 ILE 6 -1.579 9.856 6.240 58 HD11 ILE 6 3HD1 ILE 6 -1.265 6.703 6.318 59 HD12 ILE 6 1HD1 ILE 6 -2.629 5.731 6.917 60 HD13 ILE 6 2HD1 ILE 6 -2.335 5.869 5.167 61 H LEU 7 H LEU 7 -3.692 12.178 5.137 62 HA LEU 7 HA LEU 7 -3.339 12.843 2.291 63 HB2 LEU 7 1HB LEU 7 -3.309 14.367 4.812 64 HB3 LEU 7 2HB LEU 7 -3.185 15.231 3.261 65 HG LEU 7 HG LEU 7 -5.550 13.567 4.214 66 HD11 LEU 7 1HD1 LEU 7 -6.749 15.770 4.261 67 HD12 LEU 7 2HD1 LEU 7 -5.355 15.768 5.368 68 HD13 LEU 7 3HD1 LEU 7 -5.238 16.584 3.791 69 HD21 LEU 7 3HD2 LEU 7 -5.254 13.404 1.813 70 HD22 LEU 7 1HD2 LEU 7 -6.686 14.393 2.182 71 HD23 LEU 7 2HD2 LEU 7 -5.170 15.176 1.673 72 H ASN 8 H ASN 8 -1.342 12.272 5.059 73 HA ASN 8 HA ASN 8 0.980 13.696 3.950 74 HB2 ASN 8 1HB ASN 8 0.584 13.245 6.602 75 HB3 ASN 8 2HB ASN 8 0.898 11.634 5.912 76 HD21 ASN 8 2HD2 ASN 8 2.342 13.207 7.937 77 HD22 ASN 8 1HD2 ASN 8 3.972 13.326 7.362 78 H LEU 9 H LEU 9 2.087 13.011 2.314 79 HA LEU 9 HA LEU 9 1.841 10.437 1.150 80 HB2 LEU 9 1HB LEU 9 2.575 12.330 0.045 81 HB3 LEU 9 2HB LEU 9 4.112 12.486 0.925 82 HG LEU 9 HG LEU 9 4.794 10.257 0.017 83 HD11 LEU 9 1HD1 LEU 9 3.513 9.358 -1.943 84 HD12 LEU 9 2HD1 LEU 9 2.509 9.390 -0.476 85 HD13 LEU 9 3HD1 LEU 9 2.303 10.643 -1.724 86 HD21 LEU 9 3HD2 LEU 9 5.586 12.303 -1.014 87 HD22 LEU 9 1HD2 LEU 9 5.308 11.064 -2.260 88 HD23 LEU 9 2HD2 LEU 9 4.133 12.383 -2.039 89 H LYS 10 H LYS 10 4.133 11.638 3.558 90 HA LYS 10 HA LYS 10 5.916 9.415 3.532 91 HB2 LYS 10 1HB LYS 10 6.352 11.533 4.679 92 HB3 LYS 10 2HB LYS 10 5.055 11.168 5.840 93 HG2 LYS 10 1HG LYS 10 6.304 9.221 6.651 94 HG3 LYS 10 2HG LYS 10 7.590 9.537 5.461 95 HD2 LYS 10 1HD LYS 10 7.946 11.774 6.522 96 HD3 LYS 10 2HD LYS 10 6.760 11.325 7.771 97 HE2 LYS 10 1HE LYS 10 9.206 9.652 7.171 98 HE3 LYS 10 2HE LYS 10 9.234 10.994 8.339 99 HZ1 LYS 10 3HZ LYS 10 7.468 8.635 8.480 100 HZ2 LYS 10 1HZ LYS 10 8.805 8.890 9.414 101 HZ3 LYS 10 2HZ LYS 10 7.493 9.879 9.563 102 H GLN 11 H GLN 11 3.141 9.998 5.719 103 HA GLN 11 HA GLN 11 3.305 7.373 6.904 104 HB2 GLN 11 1HB GLN 11 1.074 9.405 6.721 105 HB3 GLN 11 2HB GLN 11 0.970 7.893 7.653 106 HG2 GLN 11 1HG GLN 11 3.017 8.866 9.133 107 HG3 GLN 11 2HG GLN 11 2.802 10.117 7.887 108 HE21 GLN 11 2HE2 GLN 11 2.743 10.612 10.668 109 HE22 GLN 11 1HE2 GLN 11 1.146 11.127 11.096 110 H ALA 12 H ALA 12 1.581 8.671 4.119 111 HA ALA 12 HA ALA 12 -0.156 6.437 3.724 112 HB1 ALA 12 1HB ALA 12 -0.363 7.277 1.417 113 HB2 ALA 12 2HB ALA 12 -0.496 8.594 2.606 114 HB3 ALA 12 3HB ALA 12 1.015 8.368 1.692 115 H LYS 13 H LYS 13 3.126 7.125 2.536 116 HA LYS 13 HA LYS 13 3.373 4.669 1.029 117 HB2 LYS 13 1HB LYS 13 5.370 6.571 2.252 118 HB3 LYS 13 2HB LYS 13 5.840 5.123 1.330 119 HG2 LYS 13 1HG LYS 13 4.647 6.000 -0.643 120 HG3 LYS 13 2HG LYS 13 4.196 7.452 0.279 121 HD2 LYS 13 1HD LYS 13 6.543 8.058 0.540 122 HD3 LYS 13 2HD LYS 13 7.045 6.561 -0.282 123 HE2 LYS 13 1HE LYS 13 5.854 7.313 -2.320 124 HE3 LYS 13 2HE LYS 13 5.441 8.833 -1.495 125 HZ1 LYS 13 3HZ LYS 13 8.175 7.886 -2.073 126 HZ2 LYS 13 1HZ LYS 13 7.379 9.078 -2.890 127 HZ3 LYS 13 2HZ LYS 13 7.791 9.294 -1.307 128 H GLU 14 H GLU 14 4.130 5.563 4.377 129 HA GLU 14 HA GLU 14 5.521 3.157 5.054 130 HB2 GLU 14 1HB GLU 14 3.891 5.099 6.688 131 HB3 GLU 14 2HB GLU 14 4.782 3.727 7.391 132 HG2 GLU 14 1HG GLU 14 6.945 4.721 6.637 133 HG3 GLU 14 2HG GLU 14 5.975 5.905 5.732 134 H GLU 15 H GLU 15 2.074 3.956 5.069 135 HA GLU 15 HA GLU 15 1.328 1.429 6.337 136 HB2 GLU 15 1HB GLU 15 -0.226 3.578 4.896 137 HB3 GLU 15 2HB GLU 15 -0.969 2.118 5.594 138 HG2 GLU 15 1HG GLU 15 0.489 4.319 7.180 139 HG3 GLU 15 2HG GLU 15 -1.250 3.975 7.031 140 H ALA 16 H ALA 16 1.073 2.734 3.022 141 HA ALA 16 HA ALA 16 -0.059 0.344 1.929 142 HB1 ALA 16 1HB ALA 16 0.564 1.303 -0.253 143 HB2 ALA 16 2HB ALA 16 -0.209 2.514 0.797 144 HB3 ALA 16 3HB ALA 16 1.557 2.528 0.570 145 H ILE 17 H ILE 17 3.280 1.414 2.387 146 HA ILE 17 HA ILE 17 4.496 -0.852 1.040 147 HB ILE 17 HB ILE 17 5.462 1.091 3.175 148 HG12 ILE 17 1HG1 ILE 17 6.390 0.667 0.349 149 HG13 ILE 17 2HG1 ILE 17 5.134 1.833 0.827 150 HG21 ILE 17 1HG2 ILE 17 7.700 0.078 2.910 151 HG22 ILE 17 2HG2 ILE 17 6.538 -1.100 3.559 152 HG23 ILE 17 3HG2 ILE 17 7.010 -1.171 1.846 153 HD11 ILE 17 3HD1 ILE 17 8.016 1.831 1.790 154 HD12 ILE 17 1HD1 ILE 17 7.325 2.935 0.581 155 HD13 ILE 17 2HD1 ILE 17 6.759 2.996 2.267 156 H LYS 18 H LYS 18 3.799 -0.239 4.481 157 HA LYS 18 HA LYS 18 4.700 -2.699 5.504 158 HB2 LYS 18 1HB LYS 18 3.902 -0.836 6.867 159 HB3 LYS 18 2HB LYS 18 2.244 -1.123 6.288 160 HG2 LYS 18 1HG LYS 18 2.213 -3.312 7.372 161 HG3 LYS 18 2HG LYS 18 3.901 -3.095 7.897 162 HD2 LYS 18 1HD LYS 18 3.233 -1.144 9.244 163 HD3 LYS 18 2HD LYS 18 1.546 -1.360 8.719 164 HE2 LYS 18 1HE LYS 18 1.509 -3.588 9.760 165 HE3 LYS 18 2HE LYS 18 3.192 -3.367 10.292 166 HZ1 LYS 18 3HZ LYS 18 0.897 -1.711 11.127 167 HZ2 LYS 18 1HZ LYS 18 1.632 -2.865 12.047 168 HZ3 LYS 18 2HZ LYS 18 2.457 -1.503 11.620 169 H GLU 19 H GLU 19 1.654 -1.977 3.851 170 HA GLU 19 HA GLU 19 0.376 -4.487 4.214 171 HB2 GLU 19 1HB GLU 19 -0.611 -2.449 3.186 172 HB3 GLU 19 2HB GLU 19 0.375 -2.759 1.735 173 HG2 GLU 19 1HG GLU 19 -1.867 -3.667 1.260 174 HG3 GLU 19 2HG GLU 19 -0.689 -4.961 1.575 175 H LEU 20 H LEU 20 2.601 -3.472 1.607 176 HA LEU 20 HA LEU 20 2.587 -6.092 0.367 177 HB2 LEU 20 1HB LEU 20 4.292 -3.702 0.266 178 HB3 LEU 20 2HB LEU 20 4.721 -5.070 -0.788 179 HG LEU 20 HG LEU 20 2.132 -3.471 -0.866 180 HD11 LEU 20 1HD1 LEU 20 2.965 -2.730 -3.114 181 HD12 LEU 20 2HD1 LEU 20 4.088 -2.252 -1.818 182 HD13 LEU 20 3HD1 LEU 20 4.461 -3.655 -2.847 183 HD21 LEU 20 3HD2 LEU 20 1.749 -5.803 -1.408 184 HD22 LEU 20 1HD2 LEU 20 1.603 -4.806 -2.875 185 HD23 LEU 20 2HD2 LEU 20 3.072 -5.775 -2.598 186 H VAL 21 H VAL 21 4.605 -4.525 2.792 187 HA VAL 21 HA VAL 21 6.685 -6.539 2.864 188 HB VAL 21 HB VAL 21 5.640 -4.630 4.994 189 HG11 VAL 21 1HG1 VAL 21 7.728 -5.156 6.209 190 HG12 VAL 21 2HG1 VAL 21 6.713 -6.605 6.019 191 HG13 VAL 21 3HG1 VAL 21 8.137 -6.373 4.976 192 HG21 VAL 21 3HG2 VAL 21 6.623 -3.509 3.084 193 HG22 VAL 21 1HG2 VAL 21 7.674 -3.367 4.512 194 HG23 VAL 21 2HG2 VAL 21 8.083 -4.518 3.219 195 H ASP 22 H ASP 22 3.582 -6.259 4.559 196 HA ASP 22 HA ASP 22 3.928 -8.770 5.980 197 HB2 ASP 22 1HB ASP 22 1.401 -7.138 5.325 198 HB3 ASP 22 2HB ASP 22 1.546 -8.692 6.185 199 H ALA 23 H ALA 23 2.572 -7.852 2.851 200 HA ALA 23 HA ALA 23 1.480 -10.434 2.235 201 HB1 ALA 23 1HB ALA 23 1.501 -9.643 -0.097 202 HB2 ALA 23 2HB ALA 23 0.846 -8.409 1.004 203 HB3 ALA 23 3HB ALA 23 2.506 -8.257 0.383 204 H GLY 24 H GLY 24 4.711 -9.086 2.033 205 HA2 GLY 24 1HA GLY 24 6.624 -10.542 2.157 206 HA3 GLY 24 2HA GLY 24 5.685 -11.815 1.346 207 H ILE 25 H ILE 25 5.384 -8.603 0.111 208 HA ILE 25 HA ILE 25 7.101 -9.347 -2.239 209 HB ILE 25 HB ILE 25 4.838 -7.311 -1.997 210 HG12 ILE 25 1HG1 ILE 25 4.929 -9.892 -3.536 211 HG13 ILE 25 2HG1 ILE 25 4.153 -9.675 -1.950 212 HG21 ILE 25 1HG2 ILE 25 5.113 -7.065 -4.441 213 HG22 ILE 25 2HG2 ILE 25 6.601 -6.608 -3.581 214 HG23 ILE 25 3HG2 ILE 25 6.495 -8.185 -4.399 215 HD11 ILE 25 3HD1 ILE 25 3.402 -8.222 -4.510 216 HD12 ILE 25 1HD1 ILE 25 2.499 -9.566 -3.772 217 HD13 ILE 25 2HD1 ILE 25 2.625 -8.006 -2.924 218 H ALA 26 H ALA 26 9.029 -8.613 -2.221 219 HA ALA 26 HA ALA 26 9.582 -6.123 -0.709 220 HB1 ALA 26 1HB ALA 26 11.947 -6.774 -0.949 221 HB2 ALA 26 2HB ALA 26 10.980 -8.082 -0.227 222 HB3 ALA 26 3HB ALA 26 11.460 -8.170 -1.938 223 H GLU 27 H GLU 27 9.040 -7.147 -3.899 224 HA GLU 27 HA GLU 27 10.906 -5.291 -5.189 225 HB2 GLU 27 1HB GLU 27 10.242 -7.423 -6.208 226 HB3 GLU 27 2HB GLU 27 8.558 -6.850 -6.284 227 HG2 GLU 27 1HG GLU 27 9.307 -5.014 -7.882 228 HG3 GLU 27 2HG GLU 27 10.941 -5.678 -7.659 229 H LYS 28 H LYS 28 7.424 -5.324 -4.451 230 HA LYS 28 HA LYS 28 6.957 -3.130 -6.343 231 HB2 LYS 28 1HB LYS 28 5.212 -4.654 -4.412 232 HB3 LYS 28 2HB LYS 28 4.624 -3.288 -5.389 233 HG2 LYS 28 1HG LYS 28 5.859 -5.809 -6.543 234 HG3 LYS 28 2HG LYS 28 4.109 -5.554 -6.349 235 HD2 LYS 28 1HD LYS 28 4.233 -3.568 -7.796 236 HD3 LYS 28 2HD LYS 28 5.986 -3.814 -7.984 237 HE2 LYS 28 1HE LYS 28 5.577 -5.996 -9.029 238 HE3 LYS 28 2HE LYS 28 3.824 -5.767 -8.831 239 HZ1 LYS 28 3HZ LYS 28 5.599 -4.073 -10.467 240 HZ2 LYS 28 1HZ LYS 28 4.548 -5.202 -11.050 241 HZ3 LYS 28 2HZ LYS 28 3.974 -3.859 -10.284 242 H TYR 29 H TYR 29 7.085 -3.524 -2.828 243 HA TYR 29 HA TYR 29 5.925 -0.988 -2.176 244 HB2 TYR 29 1HB TYR 29 6.453 -1.463 -0.023 245 HB3 TYR 29 2HB TYR 29 6.515 -3.097 -0.729 246 HD1 TYR 29 1HD TYR 29 8.595 -0.243 0.427 247 HD2 TYR 29 2HD TYR 29 8.557 -4.334 -0.773 248 HE1 TYR 29 1HE TYR 29 10.931 -0.485 1.214 249 HE2 TYR 29 2HE TYR 29 10.888 -4.595 0.007 250 HH TYR 29 HH TYR 29 12.688 -3.580 0.964 251 H PHE 30 H PHE 30 9.189 -1.915 -3.077 252 HA PHE 30 HA PHE 30 10.319 0.665 -2.220 253 HB2 PHE 30 1HB PHE 30 11.659 -1.441 -2.121 254 HB3 PHE 30 2HB PHE 30 11.556 -1.566 -3.892 255 HD1 PHE 30 1HD PHE 30 12.802 0.564 -1.123 256 HD2 PHE 30 2HD PHE 30 13.061 -0.465 -5.261 257 HE1 PHE 30 1HE PHE 30 14.842 1.943 -1.337 258 HE2 PHE 30 2HE PHE 30 15.104 0.911 -5.477 259 HZ PHE 30 HZ PHE 30 15.993 2.116 -3.514 260 H LYS 31 H LYS 31 9.256 -0.851 -5.228 261 HA LYS 31 HA LYS 31 10.278 1.464 -6.786 262 HB2 LYS 31 1HB LYS 31 8.856 -1.055 -7.664 263 HB3 LYS 31 2HB LYS 31 9.577 0.178 -8.727 264 HG2 LYS 31 1HG LYS 31 11.809 -0.350 -7.805 265 HG3 LYS 31 2HG LYS 31 11.077 -1.605 -6.777 266 HD2 LYS 31 1HD LYS 31 10.255 -2.749 -8.833 267 HD3 LYS 31 2HD LYS 31 11.109 -1.535 -9.814 268 HE2 LYS 31 1HE LYS 31 13.243 -2.217 -8.860 269 HE3 LYS 31 2HE LYS 31 12.422 -3.374 -7.788 270 HZ1 LYS 31 3HZ LYS 31 12.458 -3.497 -10.736 271 HZ2 LYS 31 1HZ LYS 31 13.342 -4.455 -9.724 272 HZ3 LYS 31 2HZ LYS 31 11.696 -4.569 -9.741 273 H LEU 32 H LEU 32 7.172 -0.277 -6.409 274 HA LEU 32 HA LEU 32 5.673 1.647 -7.908 275 HB2 LEU 32 1HB LEU 32 4.990 -0.522 -7.547 276 HB3 LEU 32 2HB LEU 32 4.787 -0.383 -5.786 277 HG LEU 32 HG LEU 32 3.049 1.415 -6.257 278 HD11 LEU 32 1HD1 LEU 32 1.992 1.340 -8.531 279 HD12 LEU 32 2HD1 LEU 32 3.694 1.848 -8.627 280 HD13 LEU 32 3HD1 LEU 32 3.236 0.182 -9.055 281 HD21 LEU 32 3HD2 LEU 32 2.437 -0.816 -5.532 282 HD22 LEU 32 1HD2 LEU 32 1.259 -0.220 -6.726 283 HD23 LEU 32 2HD2 LEU 32 2.493 -1.407 -7.209 284 H ILE 33 H ILE 33 6.059 1.283 -4.362 285 HA ILE 33 HA ILE 33 4.243 3.644 -4.062 286 HB ILE 33 HB ILE 33 5.169 1.525 -2.066 287 HG12 ILE 33 1HG1 ILE 33 2.436 1.985 -3.227 288 HG13 ILE 33 2HG1 ILE 33 3.605 0.792 -3.840 289 HG21 ILE 33 1HG2 ILE 33 3.516 2.555 -0.542 290 HG22 ILE 33 2HG2 ILE 33 4.782 3.720 -0.994 291 HG23 ILE 33 3HG2 ILE 33 3.177 3.810 -1.757 292 HD11 ILE 33 3HD1 ILE 33 2.420 0.847 -1.042 293 HD12 ILE 33 1HD1 ILE 33 1.952 -0.265 -2.348 294 HD13 ILE 33 2HD1 ILE 33 3.589 -0.347 -1.653 295 H ALA 34 H ALA 34 7.298 2.407 -2.697 296 HA ALA 34 HA ALA 34 7.776 4.694 -1.093 297 HB1 ALA 34 1HB ALA 34 10.114 3.918 -1.022 298 HB2 ALA 34 2HB ALA 34 8.971 2.572 -0.792 299 HB3 ALA 34 3HB ALA 34 9.780 2.796 -2.362 300 H ASN 35 H ASN 35 8.198 4.186 -4.505 301 HA ASN 35 HA ASN 35 9.709 6.766 -4.713 302 HB2 ASN 35 1HB ASN 35 9.509 4.577 -6.917 303 HB3 ASN 35 2HB ASN 35 10.102 6.253 -6.806 304 HD21 ASN 35 2HD2 ASN 35 11.347 3.506 -7.240 305 HD22 ASN 35 1HD2 ASN 35 12.692 3.484 -6.148 306 H ALA 36 H ALA 36 6.802 6.460 -4.187 307 HA ALA 36 HA ALA 36 5.534 7.426 -6.636 308 HB1 ALA 36 1HB ALA 36 3.573 7.792 -5.188 309 HB2 ALA 36 2HB ALA 36 4.245 6.158 -4.978 310 HB3 ALA 36 3HB ALA 36 4.562 7.413 -3.758 311 H LYS 37 H LYS 37 4.612 9.483 -6.958 312 HA LYS 37 HA LYS 37 6.286 11.640 -5.737 313 HB2 LYS 37 1HB LYS 37 4.642 11.529 -8.268 314 HB3 LYS 37 2HB LYS 37 5.472 12.980 -7.661 315 HG2 LYS 37 1HG LYS 37 7.639 11.817 -7.863 316 HG3 LYS 37 2HG LYS 37 6.802 10.379 -8.496 317 HD2 LYS 37 1HD LYS 37 5.945 11.743 -10.386 318 HD3 LYS 37 2HD LYS 37 6.867 13.137 -9.768 319 HE2 LYS 37 1HE LYS 37 8.956 11.975 -10.095 320 HE3 LYS 37 2HE LYS 37 8.102 10.479 -10.542 321 HZ1 LYS 37 3HZ LYS 37 8.045 13.006 -12.062 322 HZ2 LYS 37 1HZ LYS 37 8.902 11.659 -12.475 323 HZ3 LYS 37 2HZ LYS 37 7.253 11.621 -12.478 324 H THR 38 H THR 38 2.978 10.562 -6.203 325 HA THR 38 HA THR 38 2.081 12.893 -4.536 326 HB THR 38 HB THR 38 -0.052 12.862 -5.715 327 HG1 THR 38 1HG THR 38 1.105 10.762 -7.278 328 HG21 THR 38 3HG2 THR 38 2.274 12.853 -7.679 329 HG22 THR 38 1HG2 THR 38 0.679 13.593 -7.958 330 HG23 THR 38 2HG2 THR 38 1.751 14.239 -6.692 331 H VAL 39 H VAL 39 0.361 12.574 -3.117 332 HA VAL 39 HA VAL 39 0.302 9.895 -1.889 333 HB VAL 39 HB VAL 39 0.101 12.217 -0.695 334 HG11 VAL 39 1HG1 VAL 39 -2.238 12.961 -0.402 335 HG12 VAL 39 2HG1 VAL 39 -1.737 13.079 -2.106 336 HG13 VAL 39 3HG1 VAL 39 -2.774 11.735 -1.574 337 HG21 VAL 39 3HG2 VAL 39 -0.070 10.081 0.435 338 HG22 VAL 39 1HG2 VAL 39 -1.275 11.229 1.066 339 HG23 VAL 39 2HG2 VAL 39 -1.777 9.939 -0.053 340 H GLU 40 H GLU 40 -1.655 11.664 -4.162 341 HA GLU 40 HA GLU 40 -3.933 9.866 -4.003 342 HB2 GLU 40 1HB GLU 40 -2.913 11.719 -6.155 343 HB3 GLU 40 2HB GLU 40 -4.418 10.777 -6.281 344 HG2 GLU 40 1HG GLU 40 -5.347 12.035 -4.297 345 HG3 GLU 40 2HG GLU 40 -3.751 12.811 -4.194 346 H GLY 41 H GLY 41 -0.932 9.907 -5.884 347 HA2 GLY 41 1HA GLY 41 -1.425 7.605 -7.466 348 HA3 GLY 41 2HA GLY 41 0.171 8.144 -6.890 349 H VAL 42 H VAL 42 -0.075 7.910 -4.167 350 HA VAL 42 HA VAL 42 0.238 5.062 -3.713 351 HB VAL 42 HB VAL 42 -0.127 7.389 -1.781 352 HG11 VAL 42 1HG1 VAL 42 0.703 5.820 -0.059 353 HG12 VAL 42 2HG1 VAL 42 -0.829 5.249 -0.761 354 HG13 VAL 42 3HG1 VAL 42 0.711 4.507 -1.259 355 HG21 VAL 42 3HG2 VAL 42 1.895 7.552 -3.105 356 HG22 VAL 42 1HG2 VAL 42 2.276 7.152 -1.415 357 HG23 VAL 42 2HG2 VAL 42 2.341 5.886 -2.663 358 H TRP 43 H TRP 43 -2.434 7.305 -3.071 359 HA TRP 43 HA TRP 43 -4.174 5.468 -1.790 360 HB2 TRP 43 1HB TRP 43 -4.751 7.788 -3.680 361 HB3 TRP 43 2HB TRP 43 -6.008 6.898 -2.789 362 HD1 TRP 43 HD TRP 43 -3.408 6.940 -0.519 363 HE1 TRP 43 1HE TRP 43 -3.554 9.003 1.221 364 HE3 TRP 43 3HE TRP 43 -6.696 9.840 -3.092 365 HZ2 TRP 43 2HZ TRP 43 -4.909 11.409 1.309 366 HZ3 TRP 43 3HZ TRP 43 -7.399 11.971 -2.192 367 HH2 TRP 43 HH TRP 43 -6.555 12.799 -0.037 368 H THR 44 H THR 44 -3.661 6.050 -5.267 369 HA THR 44 HA THR 44 -5.562 4.054 -6.128 370 HB THR 44 HB THR 44 -3.099 5.170 -7.535 371 HG1 THR 44 1HG THR 44 -4.725 6.457 -8.590 372 HG21 THR 44 3HG2 THR 44 -5.488 3.628 -8.622 373 HG22 THR 44 1HG2 THR 44 -4.184 4.347 -9.595 374 HG23 THR 44 2HG2 THR 44 -3.827 3.006 -8.482 375 H TYR 45 H TYR 45 -2.111 3.940 -5.349 376 HA TYR 45 HA TYR 45 -1.602 1.331 -6.397 377 HB2 TYR 45 1HB TYR 45 -0.358 2.798 -4.063 378 HB3 TYR 45 2HB TYR 45 0.279 1.304 -4.792 379 HD1 TYR 45 1HD TYR 45 -0.800 2.567 -7.626 380 HD2 TYR 45 2HD TYR 45 1.976 3.713 -4.600 381 HE1 TYR 45 1HE TYR 45 0.448 3.910 -9.291 382 HE2 TYR 45 2HE TYR 45 3.235 5.058 -6.249 383 HH TYR 45 HH TYR 45 3.374 5.751 -8.413 384 H LYS 46 H LYS 46 -3.101 2.385 -3.410 385 HA LYS 46 HA LYS 46 -3.016 -0.024 -1.928 386 HB2 LYS 46 1HB LYS 46 -3.960 2.233 -1.266 387 HB3 LYS 46 2HB LYS 46 -5.422 1.778 -2.172 388 HG2 LYS 46 1HG LYS 46 -4.394 -0.114 -0.092 389 HG3 LYS 46 2HG LYS 46 -5.207 1.370 0.455 390 HD2 LYS 46 1HD LYS 46 -7.206 0.816 -0.752 391 HD3 LYS 46 2HD LYS 46 -6.397 -0.538 -1.577 392 HE2 LYS 46 1HE LYS 46 -6.325 -1.843 0.374 393 HE3 LYS 46 2HE LYS 46 -6.619 -0.442 1.429 394 HZ1 LYS 46 3HZ LYS 46 -8.583 -1.635 -0.423 395 HZ2 LYS 46 1HZ LYS 46 -8.574 -1.821 1.216 396 HZ3 LYS 46 2HZ LYS 46 -8.856 -0.336 0.556 397 H ASP 47 H ASP 47 -5.153 0.904 -4.601 398 HA ASP 47 HA ASP 47 -6.843 -1.428 -4.421 399 HB2 ASP 47 1HB ASP 47 -6.257 0.454 -6.785 400 HB3 ASP 47 2HB ASP 47 -7.332 -0.964 -6.716 401 H GLU 48 H GLU 48 -3.807 -0.766 -6.104 402 HA GLU 48 HA GLU 48 -3.846 -3.252 -7.613 403 HB2 GLU 48 1HB GLU 48 -1.644 -1.317 -6.887 404 HB3 GLU 48 2HB GLU 48 -1.423 -2.740 -7.934 405 HG2 GLU 48 1HG GLU 48 -3.047 -1.749 -9.595 406 HG3 GLU 48 2HG GLU 48 -3.287 -0.452 -8.404 407 H ILE 49 H ILE 49 -2.442 -2.233 -4.523 408 HA ILE 49 HA ILE 49 -1.066 -4.837 -4.204 409 HB ILE 49 HB ILE 49 -0.261 -3.913 -2.089 410 HG12 ILE 49 1HG1 ILE 49 -2.079 -1.576 -2.619 411 HG13 ILE 49 2HG1 ILE 49 -2.374 -2.880 -1.445 412 HG21 ILE 49 1HG2 ILE 49 0.908 -1.892 -2.898 413 HG22 ILE 49 2HG2 ILE 49 0.903 -3.166 -4.138 414 HG23 ILE 49 3HG2 ILE 49 -0.216 -1.789 -4.272 415 HD11 ILE 49 3HD1 ILE 49 -0.047 -0.926 -1.386 416 HD12 ILE 49 1HD1 ILE 49 -1.482 -0.868 -0.336 417 HD13 ILE 49 2HD1 ILE 49 -0.341 -2.230 -0.212 418 H LYS 50 H LYS 50 -4.147 -3.555 -3.524 419 HA LYS 50 HA LYS 50 -4.929 -5.263 -1.377 420 HB2 LYS 50 1HB LYS 50 -6.319 -3.473 -2.288 421 HB3 LYS 50 2HB LYS 50 -6.484 -4.374 -3.813 422 HG2 LYS 50 1HG LYS 50 -7.663 -6.177 -2.625 423 HG3 LYS 50 2HG LYS 50 -7.489 -5.287 -1.095 424 HD2 LYS 50 1HD LYS 50 -8.832 -3.447 -1.983 425 HD3 LYS 50 2HD LYS 50 -8.965 -4.280 -3.549 426 HE2 LYS 50 1HE LYS 50 -10.130 -6.152 -2.439 427 HE3 LYS 50 2HE LYS 50 -10.024 -5.287 -0.890 428 HZ1 LYS 50 3HZ LYS 50 -11.460 -4.340 -3.287 429 HZ2 LYS 50 1HZ LYS 50 -12.162 -4.978 -1.938 430 HZ3 LYS 50 2HZ LYS 50 -11.362 -3.538 -1.849 431 H THR 51 H THR 51 -5.118 -5.864 -4.900 432 HA THR 51 HA THR 51 -5.873 -8.617 -4.654 433 HB THR 51 HB THR 51 -4.307 -7.220 -6.864 434 HG1 THR 51 1HG THR 51 -6.418 -7.181 -7.844 435 HG21 THR 51 3HG2 THR 51 -5.810 -9.867 -6.851 436 HG22 THR 51 1HG2 THR 51 -5.057 -9.107 -8.272 437 HG23 THR 51 2HG2 THR 51 -4.043 -9.676 -6.924 438 H PHE 52 H PHE 52 -2.699 -7.043 -4.748 439 HA PHE 52 HA PHE 52 -1.106 -9.391 -4.948 440 HB2 PHE 52 1HB PHE 52 -0.565 -6.747 -3.529 441 HB3 PHE 52 2HB PHE 52 0.658 -8.003 -3.826 442 HD1 PHE 52 1HD PHE 52 -1.310 -8.275 -6.582 443 HD2 PHE 52 2HD PHE 52 1.408 -5.528 -4.761 444 HE1 PHE 52 1HE PHE 52 -0.829 -7.285 -8.797 445 HE2 PHE 52 2HE PHE 52 1.890 -4.534 -6.973 446 HZ PHE 52 HZ PHE 52 0.772 -5.415 -8.991 447 H THR 53 H THR 53 -2.413 -7.763 -2.061 448 HA THR 53 HA THR 53 -1.269 -9.609 -0.175 449 HB THR 53 HB THR 53 -3.789 -7.906 0.023 450 HG1 THR 53 1HG THR 53 -2.166 -6.704 1.414 451 HG21 THR 53 3HG2 THR 53 -2.151 -9.296 2.180 452 HG22 THR 53 1HG2 THR 53 -3.527 -8.204 2.461 453 HG23 THR 53 2HG2 THR 53 -3.783 -9.767 1.648 454 H VAL 54 H VAL 54 -4.334 -9.599 -1.954 455 HA VAL 54 HA VAL 54 -5.458 -11.917 -0.624 456 HB VAL 54 HB VAL 54 -5.936 -10.734 -3.389 457 HG11 VAL 54 1HG1 VAL 54 -7.974 -12.135 -3.420 458 HG12 VAL 54 2HG1 VAL 54 -6.508 -13.139 -3.340 459 HG13 VAL 54 3HG1 VAL 54 -7.487 -12.876 -1.877 460 HG21 VAL 54 3HG2 VAL 54 -6.562 -9.251 -1.578 461 HG22 VAL 54 1HG2 VAL 54 -8.005 -9.888 -2.402 462 HG23 VAL 54 2HG2 VAL 54 -7.520 -10.548 -0.823 463 H THR 55 H THR 55 -3.343 -11.562 -3.434 464 HA THR 55 HA THR 55 -3.535 -14.443 -4.020 465 HB THR 55 HB THR 55 -1.889 -13.951 -5.802 466 HG1 THR 55 1HG THR 55 -1.250 -11.728 -6.062 467 HG21 THR 55 3HG2 THR 55 -4.145 -11.912 -5.659 468 HG22 THR 55 1HG2 THR 55 -3.284 -12.409 -7.134 469 HG23 THR 55 2HG2 THR 55 -4.290 -13.583 -6.253 470 H GLU 56 H GLU 56 -1.560 -12.367 -2.106 471 HA GLU 56 HA GLU 56 0.581 -14.413 -1.881 472 HB2 GLU 56 1HB GLU 56 0.148 -11.670 -0.712 473 HB3 GLU 56 2HB GLU 56 1.454 -12.753 -0.174 474 HG2 GLU 56 1HG GLU 56 1.137 -11.645 -3.031 475 HG3 GLU 56 2HG GLU 56 2.228 -11.121 -1.729 Start of MODEL 3 1 H1 THR 1 1H THR 1 -5.781 5.373 6.192 2 H2 THR 1 2H THR 1 -4.891 6.577 6.274 3 H3 THR 1 3H THR 1 -6.227 6.677 5.600 4 HA THR 1 HA THR 1 -3.789 6.097 4.275 5 HB THR 1 HB THR 1 -4.313 3.961 3.164 6 HG1 THR 1 1HG THR 1 -6.525 3.879 4.979 7 HG21 THR 1 3HG2 THR 1 -4.427 3.758 6.200 8 HG22 THR 1 1HG2 THR 1 -3.954 2.454 5.086 9 HG23 THR 1 2HG2 THR 1 -2.948 3.916 5.224 10 H THR 2 H THR 2 -7.231 6.480 4.262 11 HA THR 2 HA THR 2 -7.689 6.710 1.460 12 HB THR 2 HB THR 2 -8.990 8.311 3.703 13 HG1 THR 2 1HG THR 2 -10.557 6.597 3.580 14 HG21 THR 2 3HG2 THR 2 -9.942 7.602 0.900 15 HG22 THR 2 1HG2 THR 2 -10.886 8.475 2.129 16 HG23 THR 2 2HG2 THR 2 -9.418 9.212 1.442 17 H TYR 3 H TYR 3 -7.127 8.076 -0.043 18 HA TYR 3 HA TYR 3 -5.022 9.951 0.552 19 HB2 TYR 3 1HB TYR 3 -4.949 10.379 -1.746 20 HB3 TYR 3 2HB TYR 3 -5.376 8.658 -1.582 21 HD1 TYR 3 2HD TYR 3 -7.666 7.895 -2.106 22 HD2 TYR 3 1HD TYR 3 -6.508 11.954 -2.709 23 HE1 TYR 3 2HE TYR 3 -9.666 8.245 -3.515 24 HE2 TYR 3 1HE TYR 3 -8.507 12.323 -4.123 25 HH TYR 3 HH TYR 3 -10.857 9.720 -4.776 26 H LYS 4 H LYS 4 -8.477 10.258 0.363 27 HA LYS 4 HA LYS 4 -8.514 13.152 0.078 28 HB2 LYS 4 1HB LYS 4 -10.524 11.177 1.170 29 HB3 LYS 4 2HB LYS 4 -10.831 12.917 0.954 30 HG2 LYS 4 1HG LYS 4 -10.464 12.684 -1.469 31 HG3 LYS 4 2HG LYS 4 -10.152 10.945 -1.255 32 HD2 LYS 4 1HD LYS 4 -12.430 10.635 -0.383 33 HD3 LYS 4 2HD LYS 4 -12.744 12.377 -0.574 34 HE2 LYS 4 1HE LYS 4 -12.371 12.176 -2.999 35 HE3 LYS 4 2HE LYS 4 -12.068 10.435 -2.807 36 HZ1 LYS 4 3HZ LYS 4 -14.601 11.813 -2.180 37 HZ2 LYS 4 1HZ LYS 4 -14.323 10.872 -3.506 38 HZ3 LYS 4 2HZ LYS 4 -14.320 10.197 -2.001 39 H LEU 5 H LEU 5 -7.808 11.015 2.679 40 HA LEU 5 HA LEU 5 -8.400 13.163 4.676 41 HB2 LEU 5 1HB LEU 5 -7.828 10.281 4.921 42 HB3 LEU 5 2HB LEU 5 -8.220 11.259 6.355 43 HG LEU 5 HG LEU 5 -10.066 10.587 4.030 44 HD11 LEU 5 1HD1 LEU 5 -11.397 9.407 5.800 45 HD12 LEU 5 2HD1 LEU 5 -9.753 8.741 5.676 46 HD13 LEU 5 3HD1 LEU 5 -10.164 9.853 7.003 47 HD21 LEU 5 3HD2 LEU 5 -10.452 12.860 4.784 48 HD22 LEU 5 1HD2 LEU 5 -11.804 11.816 5.284 49 HD23 LEU 5 2HD2 LEU 5 -10.574 12.309 6.474 50 H ILE 6 H ILE 6 -5.851 11.267 3.243 51 HA ILE 6 HA ILE 6 -3.892 12.046 5.326 52 HB ILE 6 HB ILE 6 -3.546 10.575 2.671 53 HG12 ILE 6 1HG1 ILE 6 -4.925 9.350 4.208 54 HG13 ILE 6 2HG1 ILE 6 -3.341 8.576 3.974 55 HG21 ILE 6 1HG2 ILE 6 -1.331 9.956 3.575 56 HG22 ILE 6 2HG2 ILE 6 -1.487 11.720 3.417 57 HG23 ILE 6 3HG2 ILE 6 -1.637 10.953 5.016 58 HD11 ILE 6 3HD1 ILE 6 -4.165 10.255 6.370 59 HD12 ILE 6 1HD1 ILE 6 -4.038 8.481 6.337 60 HD13 ILE 6 2HD1 ILE 6 -2.579 9.481 6.136 61 H LEU 7 H LEU 7 -2.656 13.701 5.385 62 HA LEU 7 HA LEU 7 -2.831 15.656 3.186 63 HB2 LEU 7 1HB LEU 7 -3.039 16.333 5.374 64 HB3 LEU 7 2HB LEU 7 -1.457 15.738 5.926 65 HG LEU 7 HG LEU 7 -0.384 17.321 4.286 66 HD11 LEU 7 1HD1 LEU 7 -1.797 19.219 3.452 67 HD12 LEU 7 2HD1 LEU 7 -2.372 17.659 2.820 68 HD13 LEU 7 3HD1 LEU 7 -3.231 18.446 4.167 69 HD21 LEU 7 3HD2 LEU 7 -0.491 17.841 6.650 70 HD22 LEU 7 1HD2 LEU 7 -0.703 19.325 5.692 71 HD23 LEU 7 2HD2 LEU 7 -2.113 18.547 6.451 72 H ASN 8 H ASN 8 -0.196 13.905 4.862 73 HA ASN 8 HA ASN 8 1.663 14.930 2.763 74 HB2 ASN 8 1HB ASN 8 2.451 13.671 5.498 75 HB3 ASN 8 2HB ASN 8 3.299 14.190 4.020 76 HD21 ASN 8 2HD2 ASN 8 3.150 15.099 6.941 77 HD22 ASN 8 1HD2 ASN 8 2.957 16.815 6.821 78 H LEU 9 H LEU 9 3.032 13.658 1.598 79 HA LEU 9 HA LEU 9 2.061 11.117 0.739 80 HB2 LEU 9 1HB LEU 9 3.376 12.426 -0.574 81 HB3 LEU 9 2HB LEU 9 4.810 12.446 0.479 82 HG LEU 9 HG LEU 9 5.013 9.969 0.136 83 HD11 LEU 9 1HD1 LEU 9 3.778 8.968 -1.805 84 HD12 LEU 9 2HD1 LEU 9 2.654 9.540 -0.550 85 HD13 LEU 9 3HD1 LEU 9 2.908 10.505 -2.023 86 HD21 LEU 9 3HD2 LEU 9 6.400 11.514 -1.115 87 HD22 LEU 9 1HD2 LEU 9 5.965 10.126 -2.138 88 HD23 LEU 9 2HD2 LEU 9 5.138 11.687 -2.358 89 H LYS 10 H LYS 10 4.675 11.927 3.023 90 HA LYS 10 HA LYS 10 5.540 9.297 3.586 91 HB2 LYS 10 1HB LYS 10 6.631 11.346 4.383 92 HB3 LYS 10 2HB LYS 10 5.264 11.634 5.484 93 HG2 LYS 10 1HG LYS 10 5.788 9.597 6.721 94 HG3 LYS 10 2HG LYS 10 7.103 9.220 5.583 95 HD2 LYS 10 1HD LYS 10 8.282 11.269 6.249 96 HD3 LYS 10 2HD LYS 10 6.960 11.673 7.368 97 HE2 LYS 10 1HE LYS 10 7.399 9.620 8.639 98 HE3 LYS 10 2HE LYS 10 8.710 9.198 7.514 99 HZ1 LYS 10 3HZ LYS 10 8.641 11.581 9.253 100 HZ2 LYS 10 1HZ LYS 10 9.550 10.230 9.514 101 HZ3 LYS 10 2HZ LYS 10 9.858 11.192 8.210 102 H GLN 11 H GLN 11 2.806 11.100 4.962 103 HA GLN 11 HA GLN 11 2.117 9.166 6.953 104 HB2 GLN 11 1HB GLN 11 0.461 11.161 5.399 105 HB3 GLN 11 2HB GLN 11 -0.177 10.173 6.733 106 HG2 GLN 11 1HG GLN 11 1.510 11.451 8.353 107 HG3 GLN 11 2HG GLN 11 2.068 11.995 6.753 108 HE21 GLN 11 2HE2 GLN 11 1.137 13.494 9.164 109 HE22 GLN 11 1HE2 GLN 11 -0.151 14.507 8.599 110 H ALA 12 H ALA 12 1.176 9.457 3.546 111 HA ALA 12 HA ALA 12 -0.709 7.268 3.670 112 HB1 ALA 12 1HB ALA 12 -0.656 7.390 1.210 113 HB2 ALA 12 2HB ALA 12 -0.851 9.002 1.940 114 HB3 ALA 12 3HB ALA 12 0.730 8.499 1.296 115 H LYS 13 H LYS 13 2.635 7.524 2.420 116 HA LYS 13 HA LYS 13 2.678 4.781 1.513 117 HB2 LYS 13 1HB LYS 13 4.916 5.146 0.970 118 HB3 LYS 13 2HB LYS 13 4.091 6.697 0.684 119 HG2 LYS 13 1HG LYS 13 4.956 7.564 2.810 120 HG3 LYS 13 2HG LYS 13 5.757 6.007 3.129 121 HD2 LYS 13 1HD LYS 13 7.059 6.322 1.008 122 HD3 LYS 13 2HD LYS 13 6.350 7.948 0.871 123 HE2 LYS 13 1HE LYS 13 7.326 8.571 3.029 124 HE3 LYS 13 2HE LYS 13 8.010 6.938 3.201 125 HZ1 LYS 13 3HZ LYS 13 8.699 8.872 1.081 126 HZ2 LYS 13 1HZ LYS 13 9.638 8.505 2.387 127 HZ3 LYS 13 2HZ LYS 13 9.335 7.357 1.241 128 H GLU 14 H GLU 14 3.249 6.279 4.582 129 HA GLU 14 HA GLU 14 4.969 4.406 5.812 130 HB2 GLU 14 1HB GLU 14 4.226 6.493 6.841 131 HB3 GLU 14 2HB GLU 14 2.577 5.839 6.979 132 HG2 GLU 14 1HG GLU 14 3.452 4.074 8.581 133 HG3 GLU 14 2HG GLU 14 5.053 4.788 8.283 134 H GLU 15 H GLU 15 1.414 4.285 5.532 135 HA GLU 15 HA GLU 15 1.365 1.636 6.824 136 HB2 GLU 15 1HB GLU 15 -0.770 3.345 5.540 137 HB3 GLU 15 2HB GLU 15 -1.062 1.769 6.314 138 HG2 GLU 15 1HG GLU 15 -0.091 4.322 7.734 139 HG3 GLU 15 2HG GLU 15 -1.676 3.514 7.767 140 H ALA 16 H ALA 16 1.157 2.975 3.576 141 HA ALA 16 HA ALA 16 0.227 0.588 2.297 142 HB1 ALA 16 1HB ALA 16 1.077 1.623 0.228 143 HB2 ALA 16 2HB ALA 16 0.152 2.786 1.208 144 HB3 ALA 16 3HB ALA 16 1.929 2.849 1.194 145 H ILE 17 H ILE 17 3.470 1.757 3.110 146 HA ILE 17 HA ILE 17 4.897 -0.423 1.841 147 HB ILE 17 HB ILE 17 5.590 1.429 4.162 148 HG12 ILE 17 1HG1 ILE 17 6.718 1.311 1.381 149 HG13 ILE 17 2HG1 ILE 17 5.357 2.350 1.863 150 HG21 ILE 17 1HG2 ILE 17 7.897 0.565 3.954 151 HG22 ILE 17 2HG2 ILE 17 6.771 -0.728 4.425 152 HG23 ILE 17 3HG2 ILE 17 7.347 -0.619 2.745 153 HD11 ILE 17 3HD1 ILE 17 8.164 2.443 3.024 154 HD12 ILE 17 1HD1 ILE 17 7.479 3.604 1.865 155 HD13 ILE 17 2HD1 ILE 17 6.802 3.481 3.508 156 H LYS 18 H LYS 18 3.548 -0.015 5.091 157 HA LYS 18 HA LYS 18 4.434 -2.539 6.110 158 HB2 LYS 18 1HB LYS 18 1.972 -0.890 6.692 159 HB3 LYS 18 2HB LYS 18 2.452 -2.338 7.608 160 HG2 LYS 18 1HG LYS 18 4.515 -1.246 8.317 161 HG3 LYS 18 2HG LYS 18 4.122 0.185 7.333 162 HD2 LYS 18 1HD LYS 18 2.035 0.463 8.700 163 HD3 LYS 18 2HD LYS 18 2.609 -0.854 9.750 164 HE2 LYS 18 1HE LYS 18 4.590 0.418 10.339 165 HE3 LYS 18 2HE LYS 18 4.140 1.705 9.196 166 HZ1 LYS 18 3HZ LYS 18 2.608 0.930 11.595 167 HZ2 LYS 18 1HZ LYS 18 3.554 2.275 11.454 168 HZ3 LYS 18 2HZ LYS 18 2.191 2.125 10.537 169 H GLU 19 H GLU 19 1.680 -1.652 4.087 170 HA GLU 19 HA GLU 19 0.469 -4.303 4.217 171 HB2 GLU 19 1HB GLU 19 0.132 -1.966 2.333 172 HB3 GLU 19 2HB GLU 19 -0.811 -3.474 2.239 173 HG2 GLU 19 1HG GLU 19 -0.866 -1.460 4.567 174 HG3 GLU 19 2HG GLU 19 -2.068 -1.785 3.296 175 H LEU 20 H LEU 20 2.782 -2.693 2.097 176 HA LEU 20 HA LEU 20 2.890 -4.796 0.126 177 HB2 LEU 20 1HB LEU 20 4.732 -2.728 1.106 178 HB3 LEU 20 2HB LEU 20 5.268 -3.740 -0.254 179 HG LEU 20 HG LEU 20 2.803 -1.958 -0.261 180 HD11 LEU 20 1HD1 LEU 20 4.127 -0.504 -1.818 181 HD12 LEU 20 2HD1 LEU 20 4.908 -0.624 -0.225 182 HD13 LEU 20 3HD1 LEU 20 5.533 -1.571 -1.596 183 HD21 LEU 20 3HD2 LEU 20 2.591 -3.889 -1.712 184 HD22 LEU 20 1HD2 LEU 20 2.778 -2.414 -2.689 185 HD23 LEU 20 2HD2 LEU 20 4.154 -3.522 -2.478 186 H VAL 21 H VAL 21 4.541 -4.280 3.208 187 HA VAL 21 HA VAL 21 6.276 -6.609 2.988 188 HB VAL 21 HB VAL 21 5.204 -5.079 5.393 189 HG11 VAL 21 1HG1 VAL 21 6.936 -6.284 6.683 190 HG12 VAL 21 2HG1 VAL 21 5.747 -7.415 5.995 191 HG13 VAL 21 3HG1 VAL 21 7.350 -7.237 5.238 192 HG21 VAL 21 3HG2 VAL 21 6.672 -3.765 3.984 193 HG22 VAL 21 1HG2 VAL 21 7.470 -4.174 5.521 194 HG23 VAL 21 2HG2 VAL 21 7.902 -5.052 4.034 195 H ASP 22 H ASP 22 3.085 -6.114 4.485 196 HA ASP 22 HA ASP 22 2.833 -8.823 5.404 197 HB2 ASP 22 1HB ASP 22 0.678 -6.727 4.743 198 HB3 ASP 22 2HB ASP 22 0.481 -8.387 5.356 199 H ALA 23 H ALA 23 1.920 -7.252 2.359 200 HA ALA 23 HA ALA 23 0.714 -9.643 1.259 201 HB1 ALA 23 1HB ALA 23 0.814 -8.424 -0.881 202 HB2 ALA 23 2HB ALA 23 0.148 -7.408 0.418 203 HB3 ALA 23 3HB ALA 23 1.827 -7.174 -0.121 204 H GLY 24 H GLY 24 3.968 -8.313 1.336 205 HA2 GLY 24 1HA GLY 24 5.959 -9.514 1.014 206 HA3 GLY 24 2HA GLY 24 5.017 -10.896 0.406 207 H ILE 25 H ILE 25 4.842 -7.525 -0.701 208 HA ILE 25 HA ILE 25 5.471 -8.492 -3.465 209 HB ILE 25 HB ILE 25 4.248 -5.852 -2.541 210 HG12 ILE 25 1HG1 ILE 25 2.826 -8.167 -3.818 211 HG13 ILE 25 2HG1 ILE 25 2.908 -7.908 -2.060 212 HG21 ILE 25 1HG2 ILE 25 3.645 -5.609 -4.925 213 HG22 ILE 25 2HG2 ILE 25 5.407 -5.742 -4.721 214 HG23 ILE 25 3HG2 ILE 25 4.470 -7.143 -5.291 215 HD11 ILE 25 3HD1 ILE 25 1.716 -5.983 -4.087 216 HD12 ILE 25 1HD1 ILE 25 0.798 -7.040 -2.991 217 HD13 ILE 25 2HD1 ILE 25 1.799 -5.724 -2.329 218 H ALA 26 H ALA 26 7.686 -8.682 -3.212 219 HA ALA 26 HA ALA 26 9.301 -6.605 -2.111 220 HB1 ALA 26 1HB ALA 26 11.184 -7.798 -3.160 221 HB2 ALA 26 2HB ALA 26 10.081 -8.921 -2.331 222 HB3 ALA 26 3HB ALA 26 10.036 -8.776 -4.104 223 H GLU 27 H GLU 27 8.341 -7.319 -5.457 224 HA GLU 27 HA GLU 27 10.066 -5.500 -6.774 225 HB2 GLU 27 1HB GLU 27 8.689 -7.180 -7.900 226 HB3 GLU 27 2HB GLU 27 7.224 -6.266 -7.464 227 HG2 GLU 27 1HG GLU 27 8.077 -4.334 -8.903 228 HG3 GLU 27 2HG GLU 27 9.474 -5.386 -9.224 229 H LYS 28 H LYS 28 6.707 -4.914 -5.687 230 HA LYS 28 HA LYS 28 6.936 -2.075 -6.395 231 HB2 LYS 28 1HB LYS 28 4.804 -3.636 -4.926 232 HB3 LYS 28 2HB LYS 28 4.681 -1.929 -5.416 233 HG2 LYS 28 1HG LYS 28 4.812 -2.571 -7.772 234 HG3 LYS 28 2HG LYS 28 5.005 -4.280 -7.312 235 HD2 LYS 28 1HD LYS 28 2.784 -4.262 -6.268 236 HD3 LYS 28 2HD LYS 28 2.592 -2.544 -6.692 237 HE2 LYS 28 1HE LYS 28 2.896 -3.211 -9.107 238 HE3 LYS 28 2HE LYS 28 2.809 -4.906 -8.577 239 HZ1 LYS 28 3HZ LYS 28 0.696 -2.881 -8.202 240 HZ2 LYS 28 1HZ LYS 28 0.674 -4.094 -9.320 241 HZ3 LYS 28 2HZ LYS 28 0.613 -4.454 -7.710 242 H TYR 29 H TYR 29 7.638 -4.004 -3.648 243 HA TYR 29 HA TYR 29 7.400 -1.971 -1.619 244 HB2 TYR 29 1HB TYR 29 7.649 -4.339 -1.104 245 HB3 TYR 29 2HB TYR 29 9.266 -4.339 -1.851 246 HD1 TYR 29 1HD TYR 29 7.280 -3.107 1.030 247 HD2 TYR 29 2HD TYR 29 11.176 -3.521 -0.652 248 HE1 TYR 29 1HE TYR 29 8.278 -2.463 3.204 249 HE2 TYR 29 2HE TYR 29 12.190 -2.881 1.510 250 HH TYR 29 HH TYR 29 10.194 -2.095 4.367 251 H PHE 30 H PHE 30 9.979 -2.812 -3.895 252 HA PHE 30 HA PHE 30 11.700 -0.693 -2.699 253 HB2 PHE 30 1HB PHE 30 12.244 -2.902 -4.723 254 HB3 PHE 30 2HB PHE 30 13.428 -1.654 -4.275 255 HD1 PHE 30 2HD PHE 30 13.945 -1.437 -1.746 256 HD2 PHE 30 1HD PHE 30 12.185 -4.874 -3.574 257 HE1 PHE 30 2HE PHE 30 14.700 -2.831 0.152 258 HE2 PHE 30 1HE PHE 30 12.933 -6.269 -1.676 259 HZ PHE 30 HZ PHE 30 14.191 -5.248 0.187 260 H LYS 31 H LYS 31 9.779 -1.393 -5.534 261 HA LYS 31 HA LYS 31 11.151 0.796 -7.033 262 HB2 LYS 31 1HB LYS 31 9.232 -1.358 -7.935 263 HB3 LYS 31 2HB LYS 31 9.980 -0.126 -8.981 264 HG2 LYS 31 1HG LYS 31 12.219 -1.053 -8.395 265 HG3 LYS 31 2HG LYS 31 11.408 -2.337 -7.465 266 HD2 LYS 31 1HD LYS 31 10.239 -3.065 -9.522 267 HD3 LYS 31 2HD LYS 31 11.099 -1.807 -10.440 268 HE2 LYS 31 1HE LYS 31 13.249 -2.840 -9.844 269 HE3 LYS 31 2HE LYS 31 12.388 -4.101 -8.933 270 HZ1 LYS 31 3HZ LYS 31 12.153 -3.620 -11.833 271 HZ2 LYS 31 1HZ LYS 31 12.997 -4.851 -11.131 272 HZ3 LYS 31 2HZ LYS 31 11.355 -4.792 -10.989 273 H LEU 32 H LEU 32 7.817 -0.376 -6.409 274 HA LEU 32 HA LEU 32 6.711 1.865 -7.872 275 HB2 LEU 32 1HB LEU 32 5.741 -0.249 -7.754 276 HB3 LEU 32 2HB LEU 32 5.373 -0.179 -6.015 277 HG LEU 32 HG LEU 32 3.937 1.844 -6.501 278 HD11 LEU 32 1HD1 LEU 32 3.166 2.127 -8.871 279 HD12 LEU 32 2HD1 LEU 32 4.918 2.401 -8.724 280 HD13 LEU 32 3HD1 LEU 32 4.310 0.860 -9.376 281 HD21 LEU 32 3HD2 LEU 32 2.963 -0.339 -6.094 282 HD22 LEU 32 1HD2 LEU 32 2.025 0.522 -7.338 283 HD23 LEU 32 2HD2 LEU 32 3.151 -0.775 -7.809 284 H ILE 33 H ILE 33 6.603 1.030 -4.394 285 HA ILE 33 HA ILE 33 5.256 3.492 -3.680 286 HB ILE 33 HB ILE 33 5.363 1.307 -2.300 287 HG12 ILE 33 1HG1 ILE 33 5.327 2.499 -0.171 288 HG13 ILE 33 2HG1 ILE 33 5.976 3.941 -0.985 289 HG21 ILE 33 1HG2 ILE 33 7.256 1.158 -0.719 290 HG22 ILE 33 2HG2 ILE 33 7.816 1.019 -2.402 291 HG23 ILE 33 3HG2 ILE 33 8.032 2.546 -1.517 292 HD11 ILE 33 3HD1 ILE 33 3.317 2.602 -1.591 293 HD12 ILE 33 1HD1 ILE 33 3.538 4.114 -0.682 294 HD13 ILE 33 2HD1 ILE 33 3.966 4.044 -2.407 295 H ALA 34 H ALA 34 8.592 2.696 -4.195 296 HA ALA 34 HA ALA 34 9.621 5.067 -2.888 297 HB1 ALA 34 1HB ALA 34 11.694 4.561 -4.124 298 HB2 ALA 34 2HB ALA 34 11.044 3.114 -3.318 299 HB3 ALA 34 3HB ALA 34 10.826 3.329 -5.069 300 H ASN 35 H ASN 35 8.152 4.409 -5.964 301 HA ASN 35 HA ASN 35 9.053 7.037 -7.045 302 HB2 ASN 35 1HB ASN 35 7.490 4.817 -8.569 303 HB3 ASN 35 2HB ASN 35 7.977 6.500 -8.887 304 HD21 ASN 35 2HD2 ASN 35 8.690 3.746 -9.994 305 HD22 ASN 35 1HD2 ASN 35 10.421 3.763 -10.052 306 H ALA 36 H ALA 36 6.818 6.161 -4.923 307 HA ALA 36 HA ALA 36 4.377 7.228 -5.880 308 HB1 ALA 36 1HB ALA 36 3.830 7.605 -3.506 309 HB2 ALA 36 2HB ALA 36 4.567 6.006 -3.761 310 HB3 ALA 36 3HB ALA 36 5.534 7.332 -3.073 311 H LYS 37 H LYS 37 3.514 9.193 -6.108 312 HA LYS 37 HA LYS 37 5.435 11.479 -5.805 313 HB2 LYS 37 1HB LYS 37 3.202 11.046 -7.795 314 HB3 LYS 37 2HB LYS 37 4.192 12.518 -7.653 315 HG2 LYS 37 1HG LYS 37 6.202 11.228 -8.241 316 HG3 LYS 37 2HG LYS 37 5.217 9.752 -8.375 317 HD2 LYS 37 1HD LYS 37 3.907 10.793 -10.185 318 HD3 LYS 37 2HD LYS 37 4.903 12.263 -10.057 319 HE2 LYS 37 1HE LYS 37 6.893 11.010 -10.682 320 HE3 LYS 37 2HE LYS 37 5.959 9.498 -10.721 321 HZ1 LYS 37 3HZ LYS 37 5.536 11.820 -12.492 322 HZ2 LYS 37 1HZ LYS 37 6.270 10.406 -12.921 323 HZ3 LYS 37 2HZ LYS 37 4.669 10.417 -12.527 324 H THR 38 H THR 38 2.267 10.255 -5.083 325 HA THR 38 HA THR 38 1.846 12.426 -3.172 326 HB THR 38 HB THR 38 1.036 13.435 -5.355 327 HG1 THR 38 1HG THR 38 -0.976 14.075 -4.377 328 HG21 THR 38 3HG2 THR 38 -1.055 11.237 -5.096 329 HG22 THR 38 1HG2 THR 38 -1.103 12.588 -6.253 330 HG23 THR 38 2HG2 THR 38 0.176 11.356 -6.376 331 H VAL 39 H VAL 39 -0.571 12.222 -2.347 332 HA VAL 39 HA VAL 39 -0.479 9.562 -1.092 333 HB VAL 39 HB VAL 39 -2.396 10.401 0.231 334 HG11 VAL 39 1HG1 VAL 39 -1.234 12.270 1.355 335 HG12 VAL 39 2HG1 VAL 39 -0.100 10.958 0.956 336 HG13 VAL 39 3HG1 VAL 39 -0.143 12.432 -0.041 337 HG21 VAL 39 3HG2 VAL 39 -3.519 11.679 -1.494 338 HG22 VAL 39 1HG2 VAL 39 -3.211 12.686 -0.061 339 HG23 VAL 39 2HG2 VAL 39 -2.190 12.863 -1.509 340 H GLU 40 H GLU 40 -2.323 11.075 -3.626 341 HA GLU 40 HA GLU 40 -4.439 9.091 -3.664 342 HB2 GLU 40 1HB GLU 40 -4.582 11.329 -4.707 343 HB3 GLU 40 2HB GLU 40 -3.355 10.820 -5.894 344 HG2 GLU 40 1HG GLU 40 -4.958 9.063 -6.761 345 HG3 GLU 40 2HG GLU 40 -6.044 9.591 -5.455 346 H GLY 41 H GLY 41 -1.297 9.375 -5.287 347 HA2 GLY 41 1HA GLY 41 -1.568 7.033 -6.906 348 HA3 GLY 41 2HA GLY 41 -0.038 7.780 -6.392 349 H VAL 42 H VAL 42 -0.260 7.552 -3.625 350 HA VAL 42 HA VAL 42 0.507 4.799 -3.149 351 HB VAL 42 HB VAL 42 -0.275 7.040 -1.239 352 HG11 VAL 42 1HG1 VAL 42 0.766 5.635 0.511 353 HG12 VAL 42 2HG1 VAL 42 -0.639 4.818 -0.216 354 HG13 VAL 42 3HG1 VAL 42 1.011 4.335 -0.679 355 HG21 VAL 42 3HG2 VAL 42 1.721 7.522 -2.524 356 HG22 VAL 42 1HG2 VAL 42 2.129 7.198 -0.824 357 HG23 VAL 42 2HG2 VAL 42 2.423 5.953 -2.061 358 H TRP 43 H TRP 43 -2.509 6.569 -2.552 359 HA TRP 43 HA TRP 43 -3.902 4.395 -1.319 360 HB2 TRP 43 1HB TRP 43 -4.761 6.724 -1.322 361 HB3 TRP 43 2HB TRP 43 -5.001 6.629 -3.082 362 HD1 TRP 43 HD TRP 43 -6.291 5.276 0.139 363 HE1 TRP 43 1HE TRP 43 -8.816 4.381 -0.221 364 HE3 TRP 43 3HE TRP 43 -6.548 5.818 -4.908 365 HZ2 TRP 43 2HZ TRP 43 -10.489 4.036 -2.393 366 HZ3 TRP 43 3HZ TRP 43 -8.567 5.215 -6.093 367 HH2 TRP 43 HH TRP 43 -10.536 4.337 -4.916 368 H THR 44 H THR 44 -3.500 5.282 -4.738 369 HA THR 44 HA THR 44 -5.066 3.125 -5.802 370 HB THR 44 HB THR 44 -2.632 4.535 -6.975 371 HG1 THR 44 1HG THR 44 -4.298 5.698 -8.106 372 HG21 THR 44 3HG2 THR 44 -4.769 2.814 -8.296 373 HG22 THR 44 1HG2 THR 44 -3.475 3.697 -9.140 374 HG23 THR 44 2HG2 THR 44 -3.067 2.352 -8.048 375 H TYR 45 H TYR 45 -1.663 3.328 -4.830 376 HA TYR 45 HA TYR 45 -0.906 0.714 -5.722 377 HB2 TYR 45 1HB TYR 45 0.096 2.318 -3.362 378 HB3 TYR 45 2HB TYR 45 0.896 0.899 -4.082 379 HD1 TYR 45 1HD TYR 45 -0.297 2.237 -6.899 380 HD2 TYR 45 2HD TYR 45 2.467 3.316 -3.836 381 HE1 TYR 45 1HE TYR 45 0.887 3.716 -8.497 382 HE2 TYR 45 2HE TYR 45 3.658 4.797 -5.416 383 HH TYR 45 HH TYR 45 2.606 5.165 -8.811 384 H LYS 46 H LYS 46 -2.410 1.835 -2.716 385 HA LYS 46 HA LYS 46 -2.406 -0.657 -1.332 386 HB2 LYS 46 1HB LYS 46 -3.042 1.505 -0.352 387 HB3 LYS 46 2HB LYS 46 -4.513 1.510 -1.354 388 HG2 LYS 46 1HG LYS 46 -5.245 -0.582 -0.215 389 HG3 LYS 46 2HG LYS 46 -3.819 -0.470 0.843 390 HD2 LYS 46 1HD LYS 46 -4.596 1.711 1.671 391 HD3 LYS 46 2HD LYS 46 -6.016 1.614 0.603 392 HE2 LYS 46 1HE LYS 46 -6.632 -0.531 1.777 393 HE3 LYS 46 2HE LYS 46 -5.333 -0.188 2.942 394 HZ1 LYS 46 3HZ LYS 46 -7.663 1.544 2.413 395 HZ2 LYS 46 1HZ LYS 46 -7.465 0.578 3.736 396 HZ3 LYS 46 2HZ LYS 46 -6.459 1.863 3.494 397 H ASP 47 H ASP 47 -4.725 0.662 -3.690 398 HA ASP 47 HA ASP 47 -6.506 -1.586 -3.647 399 HB2 ASP 47 1HB ASP 47 -5.911 0.442 -5.886 400 HB3 ASP 47 2HB ASP 47 -7.074 -0.908 -5.866 401 H GLU 48 H GLU 48 -3.489 -0.989 -5.375 402 HA GLU 48 HA GLU 48 -3.692 -3.368 -7.034 403 HB2 GLU 48 1HB GLU 48 -1.375 -1.626 -6.189 404 HB3 GLU 48 2HB GLU 48 -1.229 -3.007 -7.303 405 HG2 GLU 48 1HG GLU 48 -2.893 -1.798 -8.860 406 HG3 GLU 48 2HG GLU 48 -2.812 -0.498 -7.649 407 H ILE 49 H ILE 49 -2.453 -2.684 -3.813 408 HA ILE 49 HA ILE 49 -1.220 -5.275 -3.401 409 HB ILE 49 HB ILE 49 -2.431 -3.250 -1.467 410 HG12 ILE 49 1HG1 ILE 49 0.445 -3.944 -1.988 411 HG13 ILE 49 2HG1 ILE 49 -0.424 -2.606 -2.775 412 HG21 ILE 49 1HG2 ILE 49 -1.292 -4.534 0.311 413 HG22 ILE 49 2HG2 ILE 49 -2.517 -5.527 -0.510 414 HG23 ILE 49 3HG2 ILE 49 -0.794 -5.753 -0.887 415 HD11 ILE 49 3HD1 ILE 49 0.037 -2.916 0.213 416 HD12 ILE 49 1HD1 ILE 49 0.909 -1.801 -0.865 417 HD13 ILE 49 2HD1 ILE 49 -0.832 -1.577 -0.573 418 H LYS 50 H LYS 50 -4.510 -4.071 -2.833 419 HA LYS 50 HA LYS 50 -5.569 -6.571 -1.907 420 HB2 LYS 50 1HB LYS 50 -6.807 -4.277 -3.429 421 HB3 LYS 50 2HB LYS 50 -7.725 -5.674 -2.819 422 HG2 LYS 50 1HG LYS 50 -7.035 -5.104 -0.513 423 HG3 LYS 50 2HG LYS 50 -6.157 -3.686 -1.139 424 HD2 LYS 50 1HD LYS 50 -8.265 -2.768 -2.022 425 HD3 LYS 50 2HD LYS 50 -9.142 -4.185 -1.396 426 HE2 LYS 50 1HE LYS 50 -8.451 -3.596 0.893 427 HE3 LYS 50 2HE LYS 50 -7.593 -2.171 0.263 428 HZ1 LYS 50 3HZ LYS 50 -10.498 -2.651 0.065 429 HZ2 LYS 50 1HZ LYS 50 -9.768 -1.600 1.106 430 HZ3 LYS 50 2HZ LYS 50 -9.704 -1.329 -0.520 431 H THR 51 H THR 51 -5.216 -5.229 -5.186 432 HA THR 51 HA THR 51 -6.399 -7.430 -6.572 433 HB THR 51 HB THR 51 -4.138 -5.584 -7.448 434 HG1 THR 51 1HG THR 51 -5.908 -4.499 -8.501 435 HG21 THR 51 3HG2 THR 51 -5.997 -7.372 -9.065 436 HG22 THR 51 1HG2 THR 51 -4.806 -6.233 -9.735 437 HG23 THR 51 2HG2 THR 51 -4.259 -7.647 -8.803 438 H PHE 52 H PHE 52 -3.056 -6.884 -5.494 439 HA PHE 52 HA PHE 52 -1.898 -9.229 -6.593 440 HB2 PHE 52 1HB PHE 52 -0.497 -7.534 -5.551 441 HB3 PHE 52 2HB PHE 52 -1.302 -7.772 -3.983 442 HD1 PHE 52 1HD PHE 52 0.979 -9.274 -6.457 443 HD2 PHE 52 2HD PHE 52 -0.678 -9.509 -2.528 444 HE1 PHE 52 1HE PHE 52 2.683 -10.957 -5.841 445 HE2 PHE 52 2HE PHE 52 1.025 -11.190 -1.906 446 HZ PHE 52 HZ PHE 52 2.705 -11.915 -3.565 447 H THR 53 H THR 53 -3.482 -8.799 -3.422 448 HA THR 53 HA THR 53 -3.178 -11.507 -2.569 449 HB THR 53 HB THR 53 -5.389 -9.514 -1.911 450 HG1 THR 53 1HG THR 53 -4.054 -9.193 -0.032 451 HG21 THR 53 3HG2 THR 53 -4.498 -12.052 -0.486 452 HG22 THR 53 1HG2 THR 53 -5.726 -10.907 0.100 453 HG23 THR 53 2HG2 THR 53 -6.020 -11.844 -1.383 454 H VAL 54 H VAL 54 -5.716 -9.945 -4.492 455 HA VAL 54 HA VAL 54 -7.426 -12.291 -4.643 456 HB VAL 54 HB VAL 54 -7.144 -9.855 -6.448 457 HG11 VAL 54 1HG1 VAL 54 -9.303 -10.569 -7.418 458 HG12 VAL 54 2HG1 VAL 54 -8.041 -11.790 -7.699 459 HG13 VAL 54 3HG1 VAL 54 -9.260 -12.046 -6.428 460 HG21 VAL 54 3HG2 VAL 54 -7.925 -9.325 -4.216 461 HG22 VAL 54 1HG2 VAL 54 -9.237 -9.144 -5.405 462 HG23 VAL 54 2HG2 VAL 54 -9.190 -10.571 -4.344 463 H THR 55 H THR 55 -4.736 -11.131 -6.621 464 HA THR 55 HA THR 55 -5.189 -13.391 -8.503 465 HB THR 55 HB THR 55 -3.461 -12.317 -9.885 466 HG1 THR 55 1HG THR 55 -2.597 -10.289 -9.144 467 HG21 THR 55 3HG2 THR 55 -5.509 -10.320 -8.846 468 HG22 THR 55 1HG2 THR 55 -4.640 -10.209 -10.394 469 HG23 THR 55 2HG2 THR 55 -5.794 -11.536 -10.113 470 H GLU 56 H GLU 56 -3.531 -12.825 -5.667 471 HA GLU 56 HA GLU 56 -0.969 -13.879 -6.004 472 HB2 GLU 56 1HB GLU 56 -1.912 -13.045 -3.890 473 HB3 GLU 56 2HB GLU 56 -2.913 -14.514 -3.777 474 HG2 GLU 56 1HG GLU 56 -0.776 -15.896 -3.623 475 HG3 GLU 56 2HG GLU 56 0.071 -14.341 -3.782 Start of MODEL 4 1 H1 THR 1 1H THR 1 -12.257 2.176 1.828 2 H2 THR 1 2H THR 1 -11.055 1.527 1.209 3 H3 THR 1 3H THR 1 -11.070 1.832 2.677 4 HA THR 1 HA THR 1 -10.033 3.556 0.680 5 HB THR 1 HB THR 1 -11.321 5.634 1.143 6 HG1 THR 1 1HG THR 1 -13.376 5.363 2.201 7 HG21 THR 1 3HG2 THR 1 -13.026 3.324 0.130 8 HG22 THR 1 1HG2 THR 1 -13.326 5.050 -0.174 9 HG23 THR 1 2HG2 THR 1 -11.874 4.269 -0.841 10 H THR 2 H THR 2 -9.410 2.167 3.199 11 HA THR 2 HA THR 2 -9.153 3.935 5.394 12 HB THR 2 HB THR 2 -7.259 1.700 4.552 13 HG1 THR 2 1HG THR 2 -8.566 0.496 6.055 14 HG21 THR 2 3HG2 THR 2 -7.722 3.034 7.250 15 HG22 THR 2 1HG2 THR 2 -6.657 1.641 6.948 16 HG23 THR 2 2HG2 THR 2 -6.277 3.225 6.231 17 H TYR 3 H TYR 3 -6.864 3.344 2.725 18 HA TYR 3 HA TYR 3 -5.109 5.496 3.778 19 HB2 TYR 3 1HB TYR 3 -4.832 3.690 1.367 20 HB3 TYR 3 2HB TYR 3 -3.609 4.828 1.977 21 HD1 TYR 3 1HD TYR 3 -4.602 3.982 4.962 22 HD2 TYR 3 2HD TYR 3 -3.012 1.932 1.579 23 HE1 TYR 3 1HE TYR 3 -3.709 2.222 6.458 24 HE2 TYR 3 2HE TYR 3 -2.114 0.166 3.056 25 HH TYR 3 HH TYR 3 -1.892 0.464 6.431 26 H LYS 4 H LYS 4 -7.590 5.031 1.431 27 HA LYS 4 HA LYS 4 -6.808 7.226 -0.314 28 HB2 LYS 4 1HB LYS 4 -9.416 5.772 0.132 29 HB3 LYS 4 2HB LYS 4 -9.178 7.047 -1.086 30 HG2 LYS 4 1HG LYS 4 -7.428 5.664 -2.162 31 HG3 LYS 4 2HG LYS 4 -7.730 4.380 -0.969 32 HD2 LYS 4 1HD LYS 4 -10.031 4.152 -1.753 33 HD3 LYS 4 2HD LYS 4 -9.795 5.492 -2.900 34 HE2 LYS 4 1HE LYS 4 -8.040 4.187 -4.042 35 HE3 LYS 4 2HE LYS 4 -8.320 2.840 -2.914 36 HZ1 LYS 4 3HZ LYS 4 -10.305 3.938 -4.801 37 HZ2 LYS 4 1HZ LYS 4 -9.485 2.519 -4.989 38 HZ3 LYS 4 2HZ LYS 4 -10.566 2.689 -3.754 39 H LEU 5 H LEU 5 -8.248 7.042 2.784 40 HA LEU 5 HA LEU 5 -9.375 9.781 2.554 41 HB2 LEU 5 1HB LEU 5 -9.214 7.755 4.685 42 HB3 LEU 5 2HB LEU 5 -10.015 9.308 5.017 43 HG LEU 5 HG LEU 5 -10.896 7.219 2.986 44 HD11 LEU 5 1HD1 LEU 5 -12.883 6.967 4.496 45 HD12 LEU 5 2HD1 LEU 5 -11.370 6.575 5.348 46 HD13 LEU 5 3HD1 LEU 5 -12.162 8.146 5.617 47 HD21 LEU 5 3HD2 LEU 5 -11.358 9.466 2.203 48 HD22 LEU 5 1HD2 LEU 5 -12.877 8.660 2.664 49 HD23 LEU 5 2HD2 LEU 5 -12.148 9.873 3.745 50 H ILE 6 H ILE 6 -6.401 8.423 3.068 51 HA ILE 6 HA ILE 6 -5.528 10.462 5.065 52 HB ILE 6 HB ILE 6 -4.018 8.185 3.699 53 HG12 ILE 6 1HG1 ILE 6 -5.019 8.438 6.525 54 HG13 ILE 6 2HG1 ILE 6 -5.762 7.458 5.238 55 HG21 ILE 6 1HG2 ILE 6 -2.248 8.677 5.351 56 HG22 ILE 6 2HG2 ILE 6 -2.549 10.080 4.302 57 HG23 ILE 6 3HG2 ILE 6 -3.196 10.054 5.960 58 HD11 ILE 6 3HD1 ILE 6 -2.969 7.079 6.374 59 HD12 ILE 6 1HD1 ILE 6 -4.386 6.066 6.734 60 HD13 ILE 6 2HD1 ILE 6 -3.712 6.099 5.088 61 H LEU 7 H LEU 7 -5.152 12.388 4.420 62 HA LEU 7 HA LEU 7 -4.247 12.926 1.678 63 HB2 LEU 7 1HB LEU 7 -4.625 14.541 4.111 64 HB3 LEU 7 2HB LEU 7 -4.184 15.347 2.588 65 HG LEU 7 HG LEU 7 -6.738 13.776 3.113 66 HD11 LEU 7 1HD1 LEU 7 -7.856 16.013 2.910 67 HD12 LEU 7 2HD1 LEU 7 -6.697 15.990 4.259 68 HD13 LEU 7 3HD1 LEU 7 -6.260 16.777 2.724 69 HD21 LEU 7 3HD2 LEU 7 -6.001 13.565 0.812 70 HD22 LEU 7 1HD2 LEU 7 -7.446 14.600 0.894 71 HD23 LEU 7 2HD2 LEU 7 -5.839 15.331 0.671 72 H ASN 8 H ASN 8 -2.786 12.375 4.759 73 HA ASN 8 HA ASN 8 -0.307 13.805 4.161 74 HB2 ASN 8 1HB ASN 8 -1.168 13.169 6.656 75 HB3 ASN 8 2HB ASN 8 -0.728 11.607 5.922 76 HD21 ASN 8 2HD2 ASN 8 0.342 14.328 7.622 77 HD22 ASN 8 1HD2 ASN 8 2.040 13.984 7.607 78 H LEU 9 H LEU 9 1.205 13.238 2.840 79 HA LEU 9 HA LEU 9 1.166 10.757 1.412 80 HB2 LEU 9 1HB LEU 9 2.049 12.647 0.516 81 HB3 LEU 9 2HB LEU 9 3.322 12.909 1.730 82 HG LEU 9 HG LEU 9 4.367 10.745 1.003 83 HD11 LEU 9 1HD1 LEU 9 3.668 9.820 -1.221 84 HD12 LEU 9 2HD1 LEU 9 2.338 9.740 -0.042 85 HD13 LEU 9 3HD1 LEU 9 2.350 11.012 -1.286 86 HD21 LEU 9 3HD2 LEU 9 5.233 12.870 0.221 87 HD22 LEU 9 1HD2 LEU 9 5.357 11.651 -1.070 88 HD23 LEU 9 2HD2 LEU 9 4.070 12.882 -1.126 89 H LYS 10 H LYS 10 3.335 11.871 4.023 90 HA LYS 10 HA LYS 10 4.976 9.551 4.054 91 HB2 LYS 10 1HB LYS 10 5.507 11.669 5.175 92 HB3 LYS 10 2HB LYS 10 4.201 11.367 6.344 93 HG2 LYS 10 1HG LYS 10 5.365 9.394 7.184 94 HG3 LYS 10 2HG LYS 10 6.643 9.603 5.964 95 HD2 LYS 10 1HD LYS 10 7.257 11.761 6.954 96 HD3 LYS 10 2HD LYS 10 5.955 11.590 8.155 97 HE2 LYS 10 1HE LYS 10 7.031 9.557 9.029 98 HE3 LYS 10 2HE LYS 10 8.336 9.735 7.834 99 HZ1 LYS 10 3HZ LYS 10 7.696 11.662 9.973 100 HZ2 LYS 10 1HZ LYS 10 8.968 10.612 9.977 101 HZ3 LYS 10 2HZ LYS 10 8.907 11.828 8.864 102 H GLN 11 H GLN 11 1.969 10.248 5.814 103 HA GLN 11 HA GLN 11 2.010 7.846 7.392 104 HB2 GLN 11 1HB GLN 11 0.612 9.828 7.862 105 HB3 GLN 11 2HB GLN 11 -0.338 9.478 6.398 106 HG2 GLN 11 1HG GLN 11 -1.707 8.388 8.289 107 HG3 GLN 11 2HG GLN 11 -0.698 7.330 7.276 108 HE21 GLN 11 2HE2 GLN 11 -0.764 5.739 8.941 109 HE22 GLN 11 1HE2 GLN 11 0.225 5.892 10.355 110 H ALA 12 H ALA 12 0.216 8.606 4.391 111 HA ALA 12 HA ALA 12 -0.825 5.946 4.122 112 HB1 ALA 12 1HB ALA 12 -1.401 6.641 1.828 113 HB2 ALA 12 2HB ALA 12 -1.854 7.882 3.019 114 HB3 ALA 12 3HB ALA 12 -0.400 8.098 2.020 115 H LYS 13 H LYS 13 2.178 7.456 3.123 116 HA LYS 13 HA LYS 13 2.973 5.447 1.216 117 HB2 LYS 13 1HB LYS 13 3.998 7.647 1.316 118 HB3 LYS 13 2HB LYS 13 4.603 7.306 2.955 119 HG2 LYS 13 1HG LYS 13 5.978 5.452 2.019 120 HG3 LYS 13 2HG LYS 13 5.432 5.911 0.388 121 HD2 LYS 13 1HD LYS 13 6.431 8.132 0.659 122 HD3 LYS 13 2HD LYS 13 6.944 7.712 2.310 123 HE2 LYS 13 1HE LYS 13 8.325 5.875 1.384 124 HE3 LYS 13 2HE LYS 13 7.854 6.373 -0.257 125 HZ1 LYS 13 3HZ LYS 13 9.339 8.034 1.678 126 HZ2 LYS 13 1HZ LYS 13 9.991 7.274 0.366 127 HZ3 LYS 13 2HZ LYS 13 8.901 8.496 0.156 128 H GLU 14 H GLU 14 4.038 5.929 4.600 129 HA GLU 14 HA GLU 14 5.529 3.474 4.674 130 HB2 GLU 14 1HB GLU 14 4.340 5.205 6.842 131 HB3 GLU 14 2HB GLU 14 5.366 3.784 7.156 132 HG2 GLU 14 1HG GLU 14 7.269 4.927 5.934 133 HG3 GLU 14 2HG GLU 14 6.105 6.230 5.602 134 H GLU 15 H GLU 15 2.179 4.251 5.492 135 HA GLU 15 HA GLU 15 1.455 1.716 6.588 136 HB2 GLU 15 1HB GLU 15 -0.006 3.866 5.088 137 HB3 GLU 15 2HB GLU 15 -0.808 2.327 5.484 138 HG2 GLU 15 1HG GLU 15 0.366 4.287 7.549 139 HG3 GLU 15 2HG GLU 15 -1.326 4.042 7.058 140 H ALA 16 H ALA 16 1.275 2.853 3.204 141 HA ALA 16 HA ALA 16 0.347 0.362 2.166 142 HB1 ALA 16 1HB ALA 16 1.065 1.243 -0.020 143 HB2 ALA 16 2HB ALA 16 0.177 2.467 0.917 144 HB3 ALA 16 3HB ALA 16 1.950 2.550 0.799 145 H ILE 17 H ILE 17 3.595 1.602 2.785 146 HA ILE 17 HA ILE 17 5.036 -0.529 1.478 147 HB ILE 17 HB ILE 17 5.744 1.286 3.826 148 HG12 ILE 17 1HG1 ILE 17 6.768 1.281 1.001 149 HG13 ILE 17 2HG1 ILE 17 5.411 2.277 1.575 150 HG21 ILE 17 1HG2 ILE 17 8.067 0.500 3.520 151 HG22 ILE 17 2HG2 ILE 17 6.995 -0.840 3.988 152 HG23 ILE 17 3HG2 ILE 17 7.513 -0.665 2.295 153 HD11 ILE 17 3HD1 ILE 17 8.262 2.384 2.618 154 HD12 ILE 17 1HD1 ILE 17 7.509 3.571 1.529 155 HD13 ILE 17 2HD1 ILE 17 6.906 3.382 3.193 156 H LYS 18 H LYS 18 3.874 -0.193 4.818 157 HA LYS 18 HA LYS 18 4.978 -2.700 5.699 158 HB2 LYS 18 1HB LYS 18 2.671 -1.013 6.665 159 HB3 LYS 18 2HB LYS 18 3.203 -2.505 7.475 160 HG2 LYS 18 1HG LYS 18 5.454 -1.486 7.788 161 HG3 LYS 18 2HG LYS 18 4.837 0.024 7.075 162 HD2 LYS 18 1HD LYS 18 3.704 -1.319 9.551 163 HD3 LYS 18 2HD LYS 18 4.851 0.041 9.570 164 HE2 LYS 18 1HE LYS 18 3.231 1.407 8.303 165 HE3 LYS 18 2HE LYS 18 2.080 0.051 8.336 166 HZ1 LYS 18 3HZ LYS 18 3.128 1.468 10.702 167 HZ2 LYS 18 1HZ LYS 18 1.618 1.653 10.065 168 HZ3 LYS 18 2HZ LYS 18 2.060 0.210 10.732 169 H GLU 19 H GLU 19 1.988 -1.848 4.059 170 HA GLU 19 HA GLU 19 0.692 -4.404 4.468 171 HB2 GLU 19 1HB GLU 19 0.354 -2.209 2.427 172 HB3 GLU 19 2HB GLU 19 -0.650 -3.680 2.465 173 HG2 GLU 19 1HG GLU 19 -0.526 -1.522 4.657 174 HG3 GLU 19 2HG GLU 19 -1.800 -1.895 3.472 175 H LEU 20 H LEU 20 2.865 -3.129 1.987 176 HA LEU 20 HA LEU 20 2.699 -5.516 0.330 177 HB2 LEU 20 1HB LEU 20 4.539 -3.246 0.627 178 HB3 LEU 20 2HB LEU 20 4.928 -4.467 -0.608 179 HG LEU 20 HG LEU 20 2.398 -2.779 -0.518 180 HD11 LEU 20 1HD1 LEU 20 3.362 -1.649 -2.540 181 HD12 LEU 20 2HD1 LEU 20 4.415 -1.442 -1.121 182 HD13 LEU 20 3HD1 LEU 20 4.831 -2.638 -2.372 183 HD21 LEU 20 3HD2 LEU 20 2.024 -4.961 -1.504 184 HD22 LEU 20 1HD2 LEU 20 1.968 -3.708 -2.766 185 HD23 LEU 20 2HD2 LEU 20 3.411 -4.738 -2.596 186 H VAL 21 H VAL 21 4.683 -4.496 3.047 187 HA VAL 21 HA VAL 21 6.522 -6.743 2.969 188 HB VAL 21 HB VAL 21 5.506 -5.018 5.263 189 HG11 VAL 21 1HG1 VAL 21 7.376 -5.982 6.562 190 HG12 VAL 21 2HG1 VAL 21 6.216 -7.242 6.078 191 HG13 VAL 21 3HG1 VAL 21 7.759 -7.069 5.205 192 HG21 VAL 21 3HG2 VAL 21 6.814 -3.799 3.627 193 HG22 VAL 21 1HG2 VAL 21 7.721 -3.993 5.145 194 HG23 VAL 21 2HG2 VAL 21 8.114 -5.008 3.737 195 H ASP 22 H ASP 22 3.383 -6.277 4.576 196 HA ASP 22 HA ASP 22 3.312 -8.972 5.635 197 HB2 ASP 22 1HB ASP 22 1.055 -6.947 5.109 198 HB3 ASP 22 2HB ASP 22 0.955 -8.598 5.767 199 H ALA 23 H ALA 23 2.282 -7.504 2.596 200 HA ALA 23 HA ALA 23 0.923 -9.875 1.648 201 HB1 ALA 23 1HB ALA 23 0.996 -8.755 -0.546 202 HB2 ALA 23 2HB ALA 23 0.433 -7.652 0.732 203 HB3 ALA 23 3HB ALA 23 2.099 -7.528 0.120 204 H GLY 24 H GLY 24 4.242 -8.759 1.628 205 HA2 GLY 24 1HA GLY 24 6.128 -10.142 1.365 206 HA3 GLY 24 2HA GLY 24 5.081 -11.436 0.733 207 H ILE 25 H ILE 25 5.088 -8.090 -0.410 208 HA ILE 25 HA ILE 25 5.946 -9.107 -3.105 209 HB ILE 25 HB ILE 25 4.388 -6.570 -2.443 210 HG12 ILE 25 1HG1 ILE 25 3.072 -8.444 -1.779 211 HG13 ILE 25 2HG1 ILE 25 2.412 -7.691 -3.249 212 HG21 ILE 25 1HG2 ILE 25 3.890 -6.596 -4.864 213 HG22 ILE 25 2HG2 ILE 25 5.644 -6.534 -4.573 214 HG23 ILE 25 3HG2 ILE 25 4.875 -8.066 -5.051 215 HD11 ILE 25 3HD1 ILE 25 4.062 -10.242 -3.143 216 HD12 ILE 25 1HD1 ILE 25 2.301 -10.149 -3.380 217 HD13 ILE 25 2HD1 ILE 25 3.401 -9.488 -4.615 218 H ALA 26 H ALA 26 8.052 -8.936 -3.194 219 HA ALA 26 HA ALA 26 9.442 -6.722 -1.931 220 HB1 ALA 26 1HB ALA 26 11.457 -7.728 -2.931 221 HB2 ALA 26 2HB ALA 26 10.466 -8.945 -2.092 222 HB3 ALA 26 3HB ALA 26 10.433 -8.841 -3.869 223 H GLU 27 H GLU 27 8.523 -7.563 -5.249 224 HA GLU 27 HA GLU 27 10.077 -5.608 -6.606 225 HB2 GLU 27 1HB GLU 27 8.892 -7.434 -7.710 226 HB3 GLU 27 2HB GLU 27 7.334 -6.691 -7.270 227 HG2 GLU 27 1HG GLU 27 7.930 -4.695 -8.739 228 HG3 GLU 27 2HG GLU 27 9.456 -5.557 -9.044 229 H LYS 28 H LYS 28 6.762 -5.358 -5.310 230 HA LYS 28 HA LYS 28 6.608 -2.542 -6.170 231 HB2 LYS 28 1HB LYS 28 4.701 -4.138 -4.457 232 HB3 LYS 28 2HB LYS 28 4.384 -2.595 -5.285 233 HG2 LYS 28 1HG LYS 28 4.917 -5.272 -6.621 234 HG3 LYS 28 2HG LYS 28 3.333 -4.475 -6.471 235 HD2 LYS 28 1HD LYS 28 4.135 -2.584 -7.806 236 HD3 LYS 28 2HD LYS 28 5.743 -3.339 -7.928 237 HE2 LYS 28 1HE LYS 28 4.743 -5.264 -9.098 238 HE3 LYS 28 2HE LYS 28 3.146 -4.487 -8.998 239 HZ1 LYS 28 3HZ LYS 28 5.489 -3.407 -10.427 240 HZ2 LYS 28 1HZ LYS 28 4.180 -4.119 -11.133 241 HZ3 LYS 28 2HZ LYS 28 4.008 -2.687 -10.334 242 H TYR 29 H TYR 29 7.307 -4.345 -3.260 243 HA TYR 29 HA TYR 29 6.978 -2.400 -1.269 244 HB2 TYR 29 1HB TYR 29 7.718 -4.564 -0.670 245 HB3 TYR 29 2HB TYR 29 9.145 -4.444 -1.730 246 HD1 TYR 29 1HD TYR 29 7.641 -3.228 1.439 247 HD2 TYR 29 2HD TYR 29 11.160 -3.405 -0.962 248 HE1 TYR 29 1HE TYR 29 8.972 -2.369 3.343 249 HE2 TYR 29 2HE TYR 29 12.505 -2.549 0.927 250 HH TYR 29 HH TYR 29 12.492 -1.840 3.092 251 H PHE 30 H PHE 30 9.606 -2.663 -3.642 252 HA PHE 30 HA PHE 30 10.621 -0.010 -2.704 253 HB2 PHE 30 1HB PHE 30 12.284 -1.865 -2.934 254 HB3 PHE 30 2HB PHE 30 11.869 -1.991 -4.657 255 HD1 PHE 30 1HD PHE 30 13.207 0.336 -2.092 256 HD2 PHE 30 2HD PHE 30 12.921 -0.678 -6.233 257 HE1 PHE 30 1HE PHE 30 14.913 2.044 -2.627 258 HE2 PHE 30 2HE PHE 30 14.628 1.028 -6.771 259 HZ PHE 30 HZ PHE 30 15.624 2.390 -4.967 260 H LYS 31 H LYS 31 10.108 -1.651 -5.858 261 HA LYS 31 HA LYS 31 10.625 0.715 -7.334 262 HB2 LYS 31 1HB LYS 31 10.674 -1.576 -8.237 263 HB3 LYS 31 2HB LYS 31 8.900 -1.643 -8.106 264 HG2 LYS 31 1HG LYS 31 8.675 0.148 -9.740 265 HG3 LYS 31 2HG LYS 31 10.444 0.332 -9.820 266 HD2 LYS 31 1HD LYS 31 10.657 -1.947 -10.701 267 HD3 LYS 31 2HD LYS 31 8.892 -2.164 -10.590 268 HE2 LYS 31 1HE LYS 31 8.568 -0.317 -12.185 269 HE3 LYS 31 2HE LYS 31 10.333 -0.114 -12.304 270 HZ1 LYS 31 3HZ LYS 31 8.829 -2.531 -13.079 271 HZ2 LYS 31 1HZ LYS 31 9.463 -1.421 -14.121 272 HZ3 LYS 31 2HZ LYS 31 10.463 -2.345 -13.190 273 H LEU 32 H LEU 32 7.482 -0.686 -6.378 274 HA LEU 32 HA LEU 32 5.935 1.128 -7.952 275 HB2 LEU 32 1HB LEU 32 5.185 -0.916 -7.159 276 HB3 LEU 32 2HB LEU 32 5.180 -0.463 -5.439 277 HG LEU 32 HG LEU 32 3.521 1.373 -6.079 278 HD11 LEU 32 1HD1 LEU 32 2.202 0.944 -8.170 279 HD12 LEU 32 2HD1 LEU 32 3.910 1.281 -8.540 280 HD13 LEU 32 3HD1 LEU 32 3.305 -0.393 -8.573 281 HD21 LEU 32 3HD2 LEU 32 2.861 -0.616 -4.859 282 HD22 LEU 32 1HD2 LEU 32 1.590 -0.168 -6.021 283 HD23 LEU 32 2HD2 LEU 32 2.686 -1.526 -6.379 284 H ILE 33 H ILE 33 6.548 1.193 -4.422 285 HA ILE 33 HA ILE 33 5.048 3.714 -4.211 286 HB ILE 33 HB ILE 33 6.639 2.061 -2.199 287 HG12 ILE 33 1HG1 ILE 33 3.681 2.539 -2.451 288 HG13 ILE 33 2HG1 ILE 33 4.544 1.107 -3.059 289 HG21 ILE 33 1HG2 ILE 33 5.677 3.553 -0.480 290 HG22 ILE 33 2HG2 ILE 33 6.715 4.459 -1.603 291 HG23 ILE 33 3HG2 ILE 33 4.944 4.553 -1.755 292 HD11 ILE 33 3HD1 ILE 33 4.382 1.985 -0.155 293 HD12 ILE 33 1HD1 ILE 33 3.473 0.646 -0.889 294 HD13 ILE 33 2HD1 ILE 33 5.247 0.556 -0.762 295 H ALA 34 H ALA 34 8.404 2.779 -4.425 296 HA ALA 34 HA ALA 34 9.497 5.267 -3.518 297 HB1 ALA 34 1HB ALA 34 11.536 4.553 -4.702 298 HB2 ALA 34 2HB ALA 34 10.849 3.230 -3.731 299 HB3 ALA 34 3HB ALA 34 10.619 3.252 -5.496 300 H ASN 35 H ASN 35 7.935 4.335 -6.465 301 HA ASN 35 HA ASN 35 8.999 6.693 -7.926 302 HB2 ASN 35 1HB ASN 35 7.099 4.486 -9.025 303 HB3 ASN 35 2HB ASN 35 7.729 6.046 -9.608 304 HD21 ASN 35 2HD2 ASN 35 8.071 3.121 -10.375 305 HD22 ASN 35 1HD2 ASN 35 9.785 2.932 -10.534 306 H ALA 36 H ALA 36 6.726 6.264 -5.635 307 HA ALA 36 HA ALA 36 4.468 7.648 -6.738 308 HB1 ALA 36 1HB ALA 36 3.822 8.011 -4.386 309 HB2 ALA 36 2HB ALA 36 4.326 6.329 -4.673 310 HB3 ALA 36 3HB ALA 36 5.431 7.463 -3.862 311 H LYS 37 H LYS 37 4.012 9.708 -7.065 312 HA LYS 37 HA LYS 37 6.001 11.738 -6.105 313 HB2 LYS 37 1HB LYS 37 4.057 11.826 -8.416 314 HB3 LYS 37 2HB LYS 37 5.110 13.163 -7.898 315 HG2 LYS 37 1HG LYS 37 7.095 11.803 -8.421 316 HG3 LYS 37 2HG LYS 37 6.041 10.468 -8.943 317 HD2 LYS 37 1HD LYS 37 5.091 11.908 -10.703 318 HD3 LYS 37 2HD LYS 37 6.152 13.238 -10.184 319 HE2 LYS 37 1HE LYS 37 8.125 11.935 -10.749 320 HE3 LYS 37 2HE LYS 37 7.112 10.535 -11.168 321 HZ1 LYS 37 3HZ LYS 37 7.100 13.137 -12.558 322 HZ2 LYS 37 1HZ LYS 37 7.799 11.752 -13.120 323 HZ3 LYS 37 2HZ LYS 37 6.160 11.838 -12.948 324 H THR 38 H THR 38 2.687 10.708 -6.028 325 HA THR 38 HA THR 38 2.127 12.950 -4.129 326 HB THR 38 HB THR 38 -0.109 13.237 -5.030 327 HG1 THR 38 1HG THR 38 -0.659 12.063 -6.993 328 HG21 THR 38 3HG2 THR 38 1.945 13.264 -7.276 329 HG22 THR 38 1HG2 THR 38 0.409 14.158 -7.263 330 HG23 THR 38 2HG2 THR 38 1.685 14.564 -6.090 331 H VAL 39 H VAL 39 0.240 12.559 -2.758 332 HA VAL 39 HA VAL 39 0.149 9.816 -1.721 333 HB VAL 39 HB VAL 39 -0.253 12.025 -0.405 334 HG11 VAL 39 1HG1 VAL 39 -2.622 12.731 -0.329 335 HG12 VAL 39 2HG1 VAL 39 -1.932 12.969 -1.953 336 HG13 VAL 39 3HG1 VAL 39 -3.005 11.585 -1.635 337 HG21 VAL 39 3HG2 VAL 39 -0.519 9.816 0.551 338 HG22 VAL 39 1HG2 VAL 39 -1.803 10.908 1.117 339 HG23 VAL 39 2HG2 VAL 39 -2.158 9.696 -0.136 340 H GLU 40 H GLU 40 -1.597 11.585 -4.134 341 HA GLU 40 HA GLU 40 -3.864 9.785 -4.259 342 HB2 GLU 40 1HB GLU 40 -2.577 11.612 -6.290 343 HB3 GLU 40 2HB GLU 40 -4.066 10.681 -6.583 344 HG2 GLU 40 1HG GLU 40 -5.217 11.969 -4.746 345 HG3 GLU 40 2HG GLU 40 -3.634 12.724 -4.444 346 H GLY 41 H GLY 41 -0.669 9.822 -5.804 347 HA2 GLY 41 1HA GLY 41 -0.958 7.466 -7.354 348 HA3 GLY 41 2HA GLY 41 0.557 8.040 -6.618 349 H VAL 42 H VAL 42 -0.056 7.896 -3.923 350 HA VAL 42 HA VAL 42 0.251 5.076 -3.327 351 HB VAL 42 HB VAL 42 -0.459 7.449 -1.552 352 HG11 VAL 42 1HG1 VAL 42 0.152 5.961 0.326 353 HG12 VAL 42 2HG1 VAL 42 -1.243 5.317 -0.572 354 HG13 VAL 42 3HG1 VAL 42 0.373 4.612 -0.815 355 HG21 VAL 42 3HG2 VAL 42 1.731 7.637 -2.569 356 HG22 VAL 42 1HG2 VAL 42 1.870 7.302 -0.829 357 HG23 VAL 42 2HG2 VAL 42 2.154 6.001 -2.010 358 H TRP 43 H TRP 43 -2.543 7.244 -3.257 359 HA TRP 43 HA TRP 43 -4.393 5.431 -2.084 360 HB2 TRP 43 1HB TRP 43 -4.774 7.612 -4.179 361 HB3 TRP 43 2HB TRP 43 -6.113 6.737 -3.398 362 HD1 TRP 43 HD TRP 43 -3.837 7.006 -0.822 363 HE1 TRP 43 1HE TRP 43 -4.253 9.169 0.745 364 HE3 TRP 43 3HE TRP 43 -6.822 9.635 -3.985 365 HZ2 TRP 43 2HZ TRP 43 -5.662 11.534 0.498 366 HZ3 TRP 43 3HZ TRP 43 -7.681 11.797 -3.327 367 HH2 TRP 43 HH TRP 43 -7.147 12.785 -1.142 368 H THR 44 H THR 44 -3.376 5.789 -5.475 369 HA THR 44 HA THR 44 -5.034 3.639 -6.461 370 HB THR 44 HB THR 44 -2.400 4.745 -7.523 371 HG1 THR 44 1HG THR 44 -4.158 6.252 -7.465 372 HG21 THR 44 3HG2 THR 44 -4.516 3.009 -8.855 373 HG22 THR 44 1HG2 THR 44 -3.085 3.702 -9.654 374 HG23 THR 44 2HG2 THR 44 -2.886 2.477 -8.377 375 H TYR 45 H TYR 45 -1.767 3.760 -5.105 376 HA TYR 45 HA TYR 45 -1.075 1.045 -5.759 377 HB2 TYR 45 1HB TYR 45 -0.129 2.849 -3.522 378 HB3 TYR 45 2HB TYR 45 0.618 1.301 -3.987 379 HD1 TYR 45 1HD TYR 45 -0.342 2.417 -7.023 380 HD2 TYR 45 2HD TYR 45 2.399 3.530 -3.951 381 HE1 TYR 45 1HE TYR 45 1.050 3.592 -8.701 382 HE2 TYR 45 2HE TYR 45 3.798 4.709 -5.611 383 HH TYR 45 HH TYR 45 4.109 5.196 -7.821 384 H LYS 46 H LYS 46 -2.896 2.472 -3.118 385 HA LYS 46 HA LYS 46 -3.044 0.279 -1.352 386 HB2 LYS 46 1HB LYS 46 -4.049 2.465 -0.936 387 HB3 LYS 46 2HB LYS 46 -5.243 2.162 -2.219 388 HG2 LYS 46 1HG LYS 46 -5.965 0.122 -0.858 389 HG3 LYS 46 2HG LYS 46 -4.987 0.790 0.469 390 HD2 LYS 46 1HD LYS 46 -6.304 2.884 0.363 391 HD3 LYS 46 2HD LYS 46 -7.305 2.172 -0.926 392 HE2 LYS 46 1HE LYS 46 -6.996 1.036 1.869 393 HE3 LYS 46 2HE LYS 46 -8.356 2.046 1.327 394 HZ1 LYS 46 3HZ LYS 46 -7.616 -0.579 0.203 395 HZ2 LYS 46 1HZ LYS 46 -8.887 -0.293 1.215 396 HZ3 LYS 46 2HZ LYS 46 -8.877 0.358 -0.300 397 H ASP 47 H ASP 47 -4.980 0.878 -4.286 398 HA ASP 47 HA ASP 47 -6.488 -1.588 -4.005 399 HB2 ASP 47 1HB ASP 47 -6.105 0.310 -6.397 400 HB3 ASP 47 2HB ASP 47 -7.006 -1.225 -6.324 401 H GLU 48 H GLU 48 -3.494 -0.690 -5.632 402 HA GLU 48 HA GLU 48 -3.123 -3.190 -7.018 403 HB2 GLU 48 1HB GLU 48 -1.152 -1.179 -5.925 404 HB3 GLU 48 2HB GLU 48 -0.722 -2.564 -6.957 405 HG2 GLU 48 1HG GLU 48 -2.470 -0.172 -7.795 406 HG3 GLU 48 2HG GLU 48 -0.794 -0.580 -8.228 407 H ILE 49 H ILE 49 -2.379 -2.123 -3.729 408 HA ILE 49 HA ILE 49 -1.033 -4.563 -2.932 409 HB ILE 49 HB ILE 49 -2.587 -2.466 -1.350 410 HG12 ILE 49 1HG1 ILE 49 0.368 -2.992 -1.446 411 HG13 ILE 49 2HG1 ILE 49 -0.467 -1.829 -2.503 412 HG21 ILE 49 1HG2 ILE 49 -1.584 -3.494 0.661 413 HG22 ILE 49 2HG2 ILE 49 -2.643 -4.645 -0.186 414 HG23 ILE 49 3HG2 ILE 49 -0.876 -4.779 -0.347 415 HD11 ILE 49 3HD1 ILE 49 -0.395 -1.740 0.534 416 HD12 ILE 49 1HD1 ILE 49 0.543 -0.699 -0.560 417 HD13 ILE 49 2HD1 ILE 49 -1.232 -0.578 -0.522 418 H LYS 50 H LYS 50 -4.437 -3.560 -2.768 419 HA LYS 50 HA LYS 50 -5.450 -5.875 -1.499 420 HB2 LYS 50 1HB LYS 50 -6.749 -3.854 -1.986 421 HB3 LYS 50 2HB LYS 50 -6.689 -4.244 -3.721 422 HG2 LYS 50 1HG LYS 50 -7.983 -6.278 -3.340 423 HG3 LYS 50 2HG LYS 50 -7.989 -5.970 -1.588 424 HD2 LYS 50 1HD LYS 50 -9.244 -3.891 -1.947 425 HD3 LYS 50 2HD LYS 50 -9.220 -4.172 -3.704 426 HE2 LYS 50 1HE LYS 50 -10.485 -6.253 -3.392 427 HE3 LYS 50 2HE LYS 50 -10.502 -5.983 -1.635 428 HZ1 LYS 50 3HZ LYS 50 -11.744 -4.225 -3.652 429 HZ2 LYS 50 1HZ LYS 50 -12.552 -5.272 -2.664 430 HZ3 LYS 50 2HZ LYS 50 -11.760 -3.975 -2.021 431 H THR 51 H THR 51 -4.670 -5.340 -4.918 432 HA THR 51 HA THR 51 -5.642 -7.830 -5.910 433 HB THR 51 HB THR 51 -3.238 -6.194 -6.825 434 HG1 THR 51 1HG THR 51 -4.797 -5.438 -8.378 435 HG21 THR 51 3HG2 THR 51 -4.830 -8.364 -8.249 436 HG22 THR 51 1HG2 THR 51 -3.530 -7.385 -8.969 437 HG23 THR 51 2HG2 THR 51 -3.164 -8.522 -7.649 438 H PHE 52 H PHE 52 -2.549 -6.992 -4.393 439 HA PHE 52 HA PHE 52 -1.453 -9.674 -4.837 440 HB2 PHE 52 1HB PHE 52 -0.524 -7.265 -3.227 441 HB3 PHE 52 2HB PHE 52 0.359 -8.807 -3.271 442 HD1 PHE 52 2HD PHE 52 0.830 -9.708 -5.709 443 HD2 PHE 52 1HD PHE 52 0.092 -5.630 -4.674 444 HE1 PHE 52 2HE PHE 52 2.009 -8.979 -7.756 445 HE2 PHE 52 1HE PHE 52 1.268 -4.895 -6.720 446 HZ PHE 52 HZ PHE 52 2.227 -6.570 -8.262 447 H THR 53 H THR 53 -3.209 -8.024 -2.291 448 HA THR 53 HA THR 53 -2.832 -10.037 -0.261 449 HB THR 53 HB THR 53 -5.177 -8.149 -0.746 450 HG1 THR 53 1HG THR 53 -4.090 -6.944 0.922 451 HG21 THR 53 3HG2 THR 53 -4.378 -9.748 1.719 452 HG22 THR 53 1HG2 THR 53 -5.705 -8.567 1.631 453 HG23 THR 53 2HG2 THR 53 -5.788 -10.072 0.683 454 H VAL 54 H VAL 54 -5.228 -9.662 -2.859 455 HA VAL 54 HA VAL 54 -6.650 -12.129 -2.222 456 HB VAL 54 HB VAL 54 -6.434 -10.507 -4.790 457 HG11 VAL 54 1HG1 VAL 54 -8.377 -11.833 -5.549 458 HG12 VAL 54 2HG1 VAL 54 -6.964 -12.875 -5.261 459 HG13 VAL 54 3HG1 VAL 54 -8.285 -12.815 -4.070 460 HG21 VAL 54 3HG2 VAL 54 -7.516 -9.307 -2.986 461 HG22 VAL 54 1HG2 VAL 54 -8.696 -9.770 -4.234 462 HG23 VAL 54 2HG2 VAL 54 -8.615 -10.679 -2.707 463 H THR 55 H THR 55 -3.962 -11.343 -4.396 464 HA THR 55 HA THR 55 -3.705 -13.938 -5.553 465 HB THR 55 HB THR 55 -1.540 -11.891 -4.909 466 HG1 THR 55 1HG THR 55 -1.867 -11.368 -7.150 467 HG21 THR 55 3HG2 THR 55 -1.541 -14.260 -6.820 468 HG22 THR 55 1HG2 THR 55 -0.241 -13.057 -6.654 469 HG23 THR 55 2HG2 THR 55 -0.620 -14.150 -5.302 470 H GLU 56 H GLU 56 -2.280 -12.589 -2.582 471 HA GLU 56 HA GLU 56 -0.752 -14.911 -1.896 472 HB2 GLU 56 1HB GLU 56 -0.499 -12.667 -0.889 473 HB3 GLU 56 2HB GLU 56 -2.063 -12.892 -0.069 474 HG2 GLU 56 1HG GLU 56 -1.054 -14.871 1.187 475 HG3 GLU 56 2HG GLU 56 0.422 -14.520 0.261 Start of MODEL 5 1 H1 THR 1 1H THR 1 -4.481 13.715 9.484 2 H2 THR 1 2H THR 1 -5.063 14.954 8.870 3 H3 THR 1 3H THR 1 -5.795 14.248 9.972 4 HA THR 1 HA THR 1 -6.206 13.786 7.205 5 HB THR 1 HB THR 1 -5.033 11.394 8.686 6 HG1 THR 1 1HG THR 1 -3.501 12.853 7.742 7 HG21 THR 1 3HG2 THR 1 -6.265 11.595 5.908 8 HG22 THR 1 1HG2 THR 1 -5.466 10.159 6.591 9 HG23 THR 1 2HG2 THR 1 -6.983 10.760 7.306 10 H THR 2 H THR 2 -8.289 13.811 7.083 11 HA THR 2 HA THR 2 -9.866 12.454 9.240 12 HB THR 2 HB THR 2 -11.769 13.818 8.461 13 HG1 THR 2 1HG THR 2 -11.319 15.470 6.884 14 HG21 THR 2 3HG2 THR 2 -9.263 15.471 8.970 15 HG22 THR 2 1HG2 THR 2 -10.939 16.030 9.183 16 HG23 THR 2 2HG2 THR 2 -10.292 14.734 10.219 17 H TYR 3 H TYR 3 -8.582 11.636 6.419 18 HA TYR 3 HA TYR 3 -11.049 10.212 5.467 19 HB2 TYR 3 1HB TYR 3 -8.586 11.049 3.921 20 HB3 TYR 3 2HB TYR 3 -9.978 10.143 3.276 21 HD1 TYR 3 2HD TYR 3 -12.151 11.271 2.963 22 HD2 TYR 3 1HD TYR 3 -8.720 13.436 4.277 23 HE1 TYR 3 2HE TYR 3 -13.295 13.394 2.420 24 HE2 TYR 3 1HE TYR 3 -9.852 15.572 3.738 25 HH TYR 3 HH TYR 3 -13.154 15.667 2.392 26 H LYS 4 H LYS 4 -10.682 8.147 4.401 27 HA LYS 4 HA LYS 4 -9.089 6.340 5.956 28 HB2 LYS 4 1HB LYS 4 -10.305 6.124 3.201 29 HB3 LYS 4 2HB LYS 4 -9.480 4.783 4.032 30 HG2 LYS 4 1HG LYS 4 -11.138 4.886 5.849 31 HG3 LYS 4 2HG LYS 4 -11.961 6.230 5.022 32 HD2 LYS 4 1HD LYS 4 -12.414 4.767 3.093 33 HD3 LYS 4 2HD LYS 4 -11.593 3.422 3.922 34 HE2 LYS 4 1HE LYS 4 -13.246 3.512 5.729 35 HE3 LYS 4 2HE LYS 4 -14.057 4.878 4.930 36 HZ1 LYS 4 3HZ LYS 4 -13.785 2.159 3.819 37 HZ2 LYS 4 1HZ LYS 4 -15.160 2.795 4.469 38 HZ3 LYS 4 2HZ LYS 4 -14.538 3.425 3.077 39 H LEU 5 H LEU 5 -8.386 8.229 3.085 40 HA LEU 5 HA LEU 5 -5.738 6.926 2.808 41 HB2 LEU 5 1HB LEU 5 -6.771 7.354 0.878 42 HB3 LEU 5 2HB LEU 5 -7.250 9.036 1.201 43 HG LEU 5 HG LEU 5 -4.807 9.641 1.218 44 HD11 LEU 5 1HD1 LEU 5 -3.226 8.025 0.130 45 HD12 LEU 5 2HD1 LEU 5 -3.911 7.351 1.628 46 HD13 LEU 5 3HD1 LEU 5 -4.537 6.824 0.049 47 HD21 LEU 5 3HD2 LEU 5 -6.200 10.094 -0.713 48 HD22 LEU 5 1HD2 LEU 5 -4.565 9.623 -1.241 49 HD23 LEU 5 2HD2 LEU 5 -5.906 8.456 -1.344 50 H ILE 6 H ILE 6 -3.986 7.540 3.774 51 HA ILE 6 HA ILE 6 -3.860 9.852 5.504 52 HB ILE 6 HB ILE 6 -1.643 8.161 4.259 53 HG12 ILE 6 1HG1 ILE 6 -2.769 8.093 7.044 54 HG13 ILE 6 2HG1 ILE 6 -3.265 7.004 5.726 55 HG21 ILE 6 1HG2 ILE 6 -0.204 9.131 6.019 56 HG22 ILE 6 2HG2 ILE 6 -0.831 10.396 4.935 57 HG23 ILE 6 3HG2 ILE 6 -1.549 10.169 6.546 58 HD11 ILE 6 3HD1 ILE 6 -0.463 7.246 6.875 59 HD12 ILE 6 1HD1 ILE 6 -1.608 5.926 7.197 60 HD13 ILE 6 2HD1 ILE 6 -0.957 6.157 5.557 61 H LEU 7 H LEU 7 -3.521 11.871 5.205 62 HA LEU 7 HA LEU 7 -3.299 12.797 2.425 63 HB2 LEU 7 1HB LEU 7 -3.490 14.123 5.048 64 HB3 LEU 7 2HB LEU 7 -3.562 15.094 3.559 65 HG LEU 7 HG LEU 7 -5.570 13.001 4.481 66 HD11 LEU 7 1HD1 LEU 7 -7.141 14.956 4.570 67 HD12 LEU 7 2HD1 LEU 7 -5.750 15.193 5.655 68 HD13 LEU 7 3HD1 LEU 7 -5.808 16.029 4.084 69 HD21 LEU 7 3HD2 LEU 7 -5.293 12.909 2.074 70 HD22 LEU 7 1HD2 LEU 7 -6.872 13.625 2.476 71 HD23 LEU 7 2HD2 LEU 7 -5.528 14.669 1.951 72 H ASN 8 H ASN 8 -1.194 12.382 5.144 73 HA ASN 8 HA ASN 8 0.930 14.048 3.942 74 HB2 ASN 8 1HB ASN 8 0.698 13.616 6.614 75 HB3 ASN 8 2HB ASN 8 1.117 12.024 5.935 76 HD21 ASN 8 2HD2 ASN 8 2.512 13.755 7.866 77 HD22 ASN 8 1HD2 ASN 8 4.098 13.998 7.214 78 H LEU 9 H LEU 9 1.963 13.424 2.227 79 HA LEU 9 HA LEU 9 1.838 10.840 1.100 80 HB2 LEU 9 1HB LEU 9 2.395 12.784 -0.036 81 HB3 LEU 9 2HB LEU 9 3.979 13.009 0.744 82 HG LEU 9 HG LEU 9 4.693 10.807 -0.221 83 HD11 LEU 9 1HD1 LEU 9 3.337 9.885 -2.119 84 HD12 LEU 9 2HD1 LEU 9 2.416 9.862 -0.597 85 HD13 LEU 9 3HD1 LEU 9 2.094 11.121 -1.812 86 HD21 LEU 9 3HD2 LEU 9 5.351 12.893 -1.266 87 HD22 LEU 9 1HD2 LEU 9 5.047 11.659 -2.512 88 HD23 LEU 9 2HD2 LEU 9 3.840 12.932 -2.207 89 H LYS 10 H LYS 10 4.150 12.168 3.411 90 HA LYS 10 HA LYS 10 6.082 10.064 3.239 91 HB2 LYS 10 1HB LYS 10 6.496 12.199 4.341 92 HB3 LYS 10 2HB LYS 10 5.282 11.801 5.580 93 HG2 LYS 10 1HG LYS 10 6.656 9.926 6.351 94 HG3 LYS 10 2HG LYS 10 7.859 10.271 5.085 95 HD2 LYS 10 1HD LYS 10 8.201 12.529 6.081 96 HD3 LYS 10 2HD LYS 10 7.081 12.087 7.392 97 HE2 LYS 10 1HE LYS 10 9.555 10.475 6.734 98 HE3 LYS 10 2HE LYS 10 9.574 11.838 7.877 99 HZ1 LYS 10 3HZ LYS 10 7.899 9.421 8.119 100 HZ2 LYS 10 1HZ LYS 10 9.257 9.740 9.000 101 HZ3 LYS 10 2HZ LYS 10 7.917 10.684 9.179 102 H GLN 11 H GLN 11 3.503 10.507 5.684 103 HA GLN 11 HA GLN 11 3.890 7.887 6.815 104 HB2 GLN 11 1HB GLN 11 1.564 9.817 6.858 105 HB3 GLN 11 2HB GLN 11 1.605 8.291 7.775 106 HG2 GLN 11 1HG GLN 11 3.735 9.334 9.082 107 HG3 GLN 11 2HG GLN 11 3.357 10.587 7.878 108 HE21 GLN 11 2HE2 GLN 11 3.527 11.066 10.651 109 HE22 GLN 11 1HE2 GLN 11 1.953 11.503 11.230 110 H ALA 12 H ALA 12 1.971 9.083 4.141 111 HA ALA 12 HA ALA 12 0.278 6.789 3.871 112 HB1 ALA 12 1HB ALA 12 -0.071 7.587 1.565 113 HB2 ALA 12 2HB ALA 12 -0.192 8.917 2.742 114 HB3 ALA 12 3HB ALA 12 1.279 8.728 1.758 115 H LYS 13 H LYS 13 3.459 7.579 2.481 116 HA LYS 13 HA LYS 13 3.715 5.095 1.021 117 HB2 LYS 13 1HB LYS 13 5.708 7.105 2.067 118 HB3 LYS 13 2HB LYS 13 6.170 5.660 1.134 119 HG2 LYS 13 1HG LYS 13 4.786 6.459 -0.756 120 HG3 LYS 13 2HG LYS 13 4.379 7.919 0.175 121 HD2 LYS 13 1HD LYS 13 6.732 8.571 0.238 122 HD3 LYS 13 2HD LYS 13 7.189 7.076 -0.613 123 HE2 LYS 13 1HE LYS 13 5.873 7.776 -2.563 124 HE3 LYS 13 2HE LYS 13 5.396 9.263 -1.714 125 HZ1 LYS 13 3HZ LYS 13 8.155 8.520 -2.450 126 HZ2 LYS 13 1HZ LYS 13 7.228 9.647 -3.217 127 HZ3 LYS 13 2HZ LYS 13 7.712 9.900 -1.661 128 H GLU 14 H GLU 14 4.588 6.104 4.301 129 HA GLU 14 HA GLU 14 6.175 3.811 4.947 130 HB2 GLU 14 1HB GLU 14 4.512 5.690 6.623 131 HB3 GLU 14 2HB GLU 14 5.512 4.387 7.311 132 HG2 GLU 14 1HG GLU 14 7.576 5.482 6.386 133 HG3 GLU 14 2HG GLU 14 6.477 6.619 5.574 134 H GLU 15 H GLU 15 2.693 4.431 5.366 135 HA GLU 15 HA GLU 15 2.245 1.821 6.600 136 HB2 GLU 15 1HB GLU 15 0.385 3.901 5.443 137 HB3 GLU 15 2HB GLU 15 -0.150 2.403 6.242 138 HG2 GLU 15 1HG GLU 15 1.377 4.715 7.584 139 HG3 GLU 15 2HG GLU 15 -0.326 4.221 7.724 140 H ALA 16 H ALA 16 1.966 3.168 3.348 141 HA ALA 16 HA ALA 16 0.704 0.869 2.184 142 HB1 ALA 16 1HB ALA 16 1.504 1.788 0.042 143 HB2 ALA 16 2HB ALA 16 0.763 3.048 1.058 144 HB3 ALA 16 3HB ALA 16 2.534 2.940 0.924 145 H ILE 17 H ILE 17 4.088 1.717 2.787 146 HA ILE 17 HA ILE 17 5.255 -0.592 1.517 147 HB ILE 17 HB ILE 17 6.132 1.136 3.867 148 HG12 ILE 17 1HG1 ILE 17 7.323 0.888 1.126 149 HG13 ILE 17 2HG1 ILE 17 6.043 2.052 1.537 150 HG21 ILE 17 1HG2 ILE 17 8.323 0.004 3.697 151 HG22 ILE 17 2HG2 ILE 17 7.041 -1.145 4.144 152 HG23 ILE 17 3HG2 ILE 17 7.654 -1.104 2.475 153 HD11 ILE 17 3HD1 ILE 17 8.793 1.906 2.821 154 HD12 ILE 17 1HD1 ILE 17 8.267 3.109 1.623 155 HD13 ILE 17 2HD1 ILE 17 7.512 3.069 3.234 156 H LYS 18 H LYS 18 4.027 -0.105 4.810 157 HA LYS 18 HA LYS 18 4.704 -2.711 5.770 158 HB2 LYS 18 1HB LYS 18 2.458 -0.823 6.480 159 HB3 LYS 18 2HB LYS 18 2.809 -2.332 7.357 160 HG2 LYS 18 1HG LYS 18 5.014 -1.487 7.983 161 HG3 LYS 18 2HG LYS 18 4.734 -0.004 7.042 162 HD2 LYS 18 1HD LYS 18 2.789 0.513 8.507 163 HD3 LYS 18 2HD LYS 18 3.181 -0.922 9.484 164 HE2 LYS 18 1HE LYS 18 5.336 0.011 10.076 165 HE3 LYS 18 2HE LYS 18 5.072 1.398 8.994 166 HZ1 LYS 18 3HZ LYS 18 3.480 0.769 11.398 167 HZ2 LYS 18 1HZ LYS 18 4.619 1.958 11.285 168 HZ3 LYS 18 2HZ LYS 18 3.234 2.056 10.394 169 H GLU 19 H GLU 19 1.875 -1.534 3.989 170 HA GLU 19 HA GLU 19 0.450 -4.064 4.163 171 HB2 GLU 19 1HB GLU 19 0.202 -1.669 2.341 172 HB3 GLU 19 2HB GLU 19 -0.876 -3.085 2.277 173 HG2 GLU 19 1HG GLU 19 -1.650 -2.585 4.625 174 HG3 GLU 19 2HG GLU 19 -0.427 -1.293 4.627 175 H LEU 20 H LEU 20 2.612 -2.585 1.771 176 HA LEU 20 HA LEU 20 2.285 -4.657 -0.204 177 HB2 LEU 20 1HB LEU 20 4.343 -2.679 0.474 178 HB3 LEU 20 2HB LEU 20 4.640 -3.714 -0.941 179 HG LEU 20 HG LEU 20 2.241 -1.872 -0.616 180 HD11 LEU 20 1HD1 LEU 20 3.385 -0.417 -2.311 181 HD12 LEU 20 2HD1 LEU 20 4.356 -0.567 -0.827 182 HD13 LEU 20 3HD1 LEU 20 4.791 -1.507 -2.275 183 HD21 LEU 20 3HD2 LEU 20 1.823 -3.783 -2.049 184 HD22 LEU 20 1HD2 LEU 20 1.910 -2.298 -3.027 185 HD23 LEU 20 2HD2 LEU 20 3.286 -3.428 -2.999 186 H VAL 21 H VAL 21 4.651 -4.194 2.413 187 HA VAL 21 HA VAL 21 6.158 -6.605 1.884 188 HB VAL 21 HB VAL 21 5.688 -5.017 4.440 189 HG11 VAL 21 1HG1 VAL 21 7.584 -6.304 5.368 190 HG12 VAL 21 2HG1 VAL 21 6.221 -7.375 4.963 191 HG13 VAL 21 3HG1 VAL 21 7.638 -7.292 3.889 192 HG21 VAL 21 3HG2 VAL 21 6.899 -3.801 2.730 193 HG22 VAL 21 1HG2 VAL 21 7.975 -4.240 4.076 194 HG23 VAL 21 2HG2 VAL 21 8.043 -5.153 2.551 195 H ASP 22 H ASP 22 3.380 -6.001 4.024 196 HA ASP 22 HA ASP 22 3.215 -8.706 4.977 197 HB2 ASP 22 1HB ASP 22 1.061 -6.518 4.767 198 HB3 ASP 22 2HB ASP 22 0.914 -8.178 5.394 199 H ALA 23 H ALA 23 1.970 -7.122 2.087 200 HA ALA 23 HA ALA 23 0.306 -9.321 1.259 201 HB1 ALA 23 1HB ALA 23 0.363 -8.233 -0.953 202 HB2 ALA 23 2HB ALA 23 0.035 -7.059 0.344 203 HB3 ALA 23 3HB ALA 23 1.656 -7.152 -0.385 204 H GLY 24 H GLY 24 3.727 -8.720 1.129 205 HA2 GLY 24 1HA GLY 24 5.325 -10.440 0.699 206 HA3 GLY 24 2HA GLY 24 4.097 -11.340 -0.218 207 H ILE 25 H ILE 25 4.423 -7.918 -0.739 208 HA ILE 25 HA ILE 25 5.363 -8.499 -3.524 209 HB ILE 25 HB ILE 25 4.087 -5.987 -2.345 210 HG12 ILE 25 1HG1 ILE 25 2.842 -8.004 -4.190 211 HG13 ILE 25 2HG1 ILE 25 2.647 -8.018 -2.422 212 HG21 ILE 25 1HG2 ILE 25 3.849 -5.309 -4.711 213 HG22 ILE 25 2HG2 ILE 25 5.560 -5.550 -4.282 214 HG23 ILE 25 3HG2 ILE 25 4.695 -6.790 -5.221 215 HD11 ILE 25 3HD1 ILE 25 1.827 -5.760 -4.283 216 HD12 ILE 25 1HD1 ILE 25 0.727 -6.931 -3.519 217 HD13 ILE 25 2HD1 ILE 25 1.632 -5.775 -2.515 218 H ALA 26 H ALA 26 7.517 -8.789 -3.187 219 HA ALA 26 HA ALA 26 9.051 -7.030 -1.517 220 HB1 ALA 26 1HB ALA 26 11.007 -8.156 -2.507 221 HB2 ALA 26 2HB ALA 26 9.762 -9.326 -2.011 222 HB3 ALA 26 3HB ALA 26 9.955 -8.905 -3.729 223 H GLU 27 H GLU 27 8.104 -6.902 -4.876 224 HA GLU 27 HA GLU 27 10.315 -5.229 -5.744 225 HB2 GLU 27 1HB GLU 27 9.060 -6.699 -7.250 226 HB3 GLU 27 2HB GLU 27 7.598 -5.723 -6.974 227 HG2 GLU 27 1HG GLU 27 8.789 -3.737 -8.047 228 HG3 GLU 27 2HG GLU 27 10.169 -4.845 -8.222 229 H LYS 28 H LYS 28 6.956 -4.558 -4.740 230 HA LYS 28 HA LYS 28 7.176 -1.849 -5.878 231 HB2 LYS 28 1HB LYS 28 4.953 -3.292 -4.427 232 HB3 LYS 28 2HB LYS 28 4.831 -1.652 -5.109 233 HG2 LYS 28 1HG LYS 28 5.263 -2.569 -7.363 234 HG3 LYS 28 2HG LYS 28 5.341 -4.207 -6.670 235 HD2 LYS 28 1HD LYS 28 3.024 -4.053 -5.941 236 HD3 LYS 28 2HD LYS 28 2.932 -2.365 -6.501 237 HE2 LYS 28 1HE LYS 28 3.374 -3.133 -8.813 238 HE3 LYS 28 2HE LYS 28 3.393 -4.815 -8.234 239 HZ1 LYS 28 3HZ LYS 28 1.090 -2.975 -8.081 240 HZ2 LYS 28 1HZ LYS 28 1.257 -4.216 -9.155 241 HZ3 LYS 28 2HZ LYS 28 1.107 -4.534 -7.544 242 H TYR 29 H TYR 29 7.256 -3.366 -2.723 243 HA TYR 29 HA TYR 29 6.621 -0.988 -1.208 244 HB2 TYR 29 1HB TYR 29 6.912 -2.270 0.621 245 HB3 TYR 29 2HB TYR 29 6.713 -3.563 -0.588 246 HD1 TYR 29 1HD TYR 29 9.286 -1.609 1.281 247 HD2 TYR 29 2HD TYR 29 8.427 -5.153 -0.931 248 HE1 TYR 29 1HE TYR 29 11.499 -2.528 1.909 249 HE2 TYR 29 2HE TYR 29 10.633 -6.083 -0.315 250 HH TYR 29 HH TYR 29 12.580 -5.747 0.818 251 H PHE 30 H PHE 30 9.487 -2.084 -2.795 252 HA PHE 30 HA PHE 30 11.178 -0.210 -1.204 253 HB2 PHE 30 1HB PHE 30 12.049 -2.507 -1.590 254 HB3 PHE 30 2HB PHE 30 11.952 -2.240 -3.346 255 HD1 PHE 30 1HD PHE 30 13.528 -0.916 -0.246 256 HD2 PHE 30 2HD PHE 30 13.730 -1.349 -4.491 257 HE1 PHE 30 1HE PHE 30 15.821 0.010 -0.230 258 HE2 PHE 30 2HE PHE 30 16.024 -0.426 -4.479 259 HZ PHE 30 HZ PHE 30 17.068 0.256 -2.346 260 H LYS 31 H LYS 31 10.134 -0.839 -4.547 261 HA LYS 31 HA LYS 31 11.564 1.638 -5.398 262 HB2 LYS 31 1HB LYS 31 10.234 -0.542 -7.014 263 HB3 LYS 31 2HB LYS 31 11.155 0.838 -7.660 264 HG2 LYS 31 1HG LYS 31 13.179 -0.018 -6.480 265 HG3 LYS 31 2HG LYS 31 12.240 -1.443 -5.975 266 HD2 LYS 31 1HD LYS 31 11.830 -1.993 -8.355 267 HD3 LYS 31 2HD LYS 31 12.822 -0.595 -8.833 268 HE2 LYS 31 1HE LYS 31 14.765 -1.573 -7.705 269 HE3 LYS 31 2HE LYS 31 13.779 -2.961 -7.191 270 HZ1 LYS 31 3HZ LYS 31 14.380 -2.226 -9.984 271 HZ2 LYS 31 1HZ LYS 31 15.074 -3.466 -9.147 272 HZ3 LYS 31 2HZ LYS 31 13.466 -3.513 -9.508 273 H LEU 32 H LEU 32 8.365 0.087 -5.896 274 HA LEU 32 HA LEU 32 7.426 2.281 -7.480 275 HB2 LEU 32 1HB LEU 32 6.608 0.144 -7.658 276 HB3 LEU 32 2HB LEU 32 5.914 0.048 -6.023 277 HG LEU 32 HG LEU 32 4.416 1.990 -6.668 278 HD11 LEU 32 1HD1 LEU 32 4.065 2.345 -9.126 279 HD12 LEU 32 2HD1 LEU 32 5.730 2.751 -8.647 280 HD13 LEU 32 3HD1 LEU 32 5.390 1.206 -9.465 281 HD21 LEU 32 3HD2 LEU 32 3.584 -0.284 -6.540 282 HD22 LEU 32 1HD2 LEU 32 2.813 0.569 -7.899 283 HD23 LEU 32 2HD2 LEU 32 4.117 -0.605 -8.207 284 H ILE 33 H ILE 33 6.509 1.358 -4.144 285 HA ILE 33 HA ILE 33 4.793 3.664 -3.825 286 HB ILE 33 HB ILE 33 4.576 1.567 -2.454 287 HG12 ILE 33 1HG1 ILE 33 4.224 2.675 -0.301 288 HG13 ILE 33 2HG1 ILE 33 5.071 4.109 -0.925 289 HG21 ILE 33 1HG2 ILE 33 6.137 1.236 -0.566 290 HG22 ILE 33 2HG2 ILE 33 6.987 1.133 -2.123 291 HG23 ILE 33 3HG2 ILE 33 7.117 2.607 -1.136 292 HD11 ILE 33 3HD1 ILE 33 2.503 2.934 -2.045 293 HD12 ILE 33 1HD1 ILE 33 2.627 4.398 -1.044 294 HD13 ILE 33 2HD1 ILE 33 3.350 4.368 -2.671 295 H ALA 34 H ALA 34 8.203 3.166 -3.317 296 HA ALA 34 HA ALA 34 8.551 5.504 -1.650 297 HB1 ALA 34 1HB ALA 34 10.951 5.192 -2.117 298 HB2 ALA 34 2HB ALA 34 10.172 3.664 -1.646 299 HB3 ALA 34 3HB ALA 34 10.549 3.981 -3.355 300 H ASN 35 H ASN 35 8.187 4.997 -5.051 301 HA ASN 35 HA ASN 35 9.381 7.678 -5.643 302 HB2 ASN 35 1HB ASN 35 8.801 5.415 -7.700 303 HB3 ASN 35 2HB ASN 35 9.263 7.133 -7.768 304 HD21 ASN 35 2HD2 ASN 35 10.573 4.463 -8.459 305 HD22 ASN 35 1HD2 ASN 35 12.148 4.585 -7.748 306 H ALA 36 H ALA 36 6.518 6.611 -4.702 307 HA ALA 36 HA ALA 36 4.728 7.677 -6.676 308 HB1 ALA 36 1HB ALA 36 3.074 7.691 -4.849 309 HB2 ALA 36 2HB ALA 36 3.976 6.158 -4.903 310 HB3 ALA 36 3HB ALA 36 4.372 7.382 -3.674 311 H LYS 37 H LYS 37 3.679 9.629 -6.850 312 HA LYS 37 HA LYS 37 5.356 11.870 -5.788 313 HB2 LYS 37 1HB LYS 37 3.573 11.675 -8.220 314 HB3 LYS 37 2HB LYS 37 4.446 13.135 -7.699 315 HG2 LYS 37 1HG LYS 37 6.591 11.960 -8.018 316 HG3 LYS 37 2HG LYS 37 5.712 10.508 -8.553 317 HD2 LYS 37 1HD LYS 37 4.765 11.771 -10.440 318 HD3 LYS 37 2HD LYS 37 5.634 13.229 -9.902 319 HE2 LYS 37 1HE LYS 37 7.779 12.056 -10.211 320 HE3 LYS 37 2HE LYS 37 6.903 10.613 -10.771 321 HZ1 LYS 37 3HZ LYS 37 6.875 13.254 -12.087 322 HZ2 LYS 37 1HZ LYS 37 7.713 11.932 -12.608 323 HZ3 LYS 37 2HZ LYS 37 6.063 11.916 -12.608 324 H THR 38 H THR 38 2.337 10.412 -5.436 325 HA THR 38 HA THR 38 1.383 12.608 -3.755 326 HB THR 38 HB THR 38 0.665 13.389 -6.022 327 HG1 THR 38 1HG THR 38 -1.565 13.598 -5.391 328 HG21 THR 38 3HG2 THR 38 -0.943 10.804 -6.011 329 HG22 THR 38 1HG2 THR 38 -1.083 12.111 -7.208 330 HG23 THR 38 2HG2 THR 38 0.424 11.172 -7.088 331 H VAL 39 H VAL 39 -0.702 12.126 -2.740 332 HA VAL 39 HA VAL 39 -0.542 9.394 -1.692 333 HB VAL 39 HB VAL 39 -2.469 10.081 -0.297 334 HG11 VAL 39 1HG1 VAL 39 -1.351 11.912 0.931 335 HG12 VAL 39 2HG1 VAL 39 -0.181 10.666 0.436 336 HG13 VAL 39 3HG1 VAL 39 -0.284 12.199 -0.464 337 HG21 VAL 39 3HG2 VAL 39 -3.654 11.428 -1.925 338 HG22 VAL 39 1HG2 VAL 39 -3.359 12.353 -0.434 339 HG23 VAL 39 2HG2 VAL 39 -2.364 12.655 -1.878 340 H GLU 40 H GLU 40 -2.298 10.898 -4.234 341 HA GLU 40 HA GLU 40 -4.543 9.088 -4.288 342 HB2 GLU 40 1HB GLU 40 -3.169 10.706 -6.435 343 HB3 GLU 40 2HB GLU 40 -4.652 9.758 -6.696 344 HG2 GLU 40 1HG GLU 40 -5.856 11.218 -5.023 345 HG3 GLU 40 2HG GLU 40 -4.282 11.996 -4.751 346 H GLY 41 H GLY 41 -1.332 8.986 -5.810 347 HA2 GLY 41 1HA GLY 41 -1.791 6.504 -7.194 348 HA3 GLY 41 2HA GLY 41 -0.211 7.226 -6.811 349 H VAL 42 H VAL 42 -0.632 7.352 -3.957 350 HA VAL 42 HA VAL 42 0.245 4.729 -3.138 351 HB VAL 42 HB VAL 42 -0.937 7.035 -1.534 352 HG11 VAL 42 1HG1 VAL 42 0.025 5.884 0.433 353 HG12 VAL 42 2HG1 VAL 42 -1.210 4.876 -0.359 354 HG13 VAL 42 3HG1 VAL 42 0.518 4.525 -0.603 355 HG21 VAL 42 3HG2 VAL 42 1.137 7.611 -2.646 356 HG22 VAL 42 1HG2 VAL 42 1.381 7.465 -0.890 357 HG23 VAL 42 2HG2 VAL 42 1.921 6.162 -1.973 358 H TRP 43 H TRP 43 -2.941 6.296 -2.873 359 HA TRP 43 HA TRP 43 -4.195 4.035 -1.607 360 HB2 TRP 43 1HB TRP 43 -5.069 6.462 -1.763 361 HB3 TRP 43 2HB TRP 43 -5.606 6.034 -3.406 362 HD1 TRP 43 HD TRP 43 -7.806 5.111 -3.586 363 HE1 TRP 43 1HE TRP 43 -9.677 4.067 -1.937 364 HE3 TRP 43 3HE TRP 43 -5.032 4.963 0.671 365 HZ2 TRP 43 2HZ TRP 43 -9.770 3.356 0.731 366 HZ3 TRP 43 3HZ TRP 43 -5.998 4.121 2.721 367 HH2 TRP 43 HH TRP 43 -8.317 3.315 2.815 368 H THR 44 H THR 44 -3.712 4.929 -4.997 369 HA THR 44 HA THR 44 -5.253 2.796 -6.136 370 HB THR 44 HB THR 44 -2.741 4.165 -7.188 371 HG1 THR 44 1HG THR 44 -4.488 5.599 -6.917 372 HG21 THR 44 3HG2 THR 44 -4.835 2.479 -8.614 373 HG22 THR 44 1HG2 THR 44 -3.490 3.343 -9.391 374 HG23 THR 44 2HG2 THR 44 -3.156 1.991 -8.283 375 H TYR 45 H TYR 45 -1.896 2.940 -5.003 376 HA TYR 45 HA TYR 45 -1.205 0.281 -5.893 377 HB2 TYR 45 1HB TYR 45 -0.085 1.939 -3.623 378 HB3 TYR 45 2HB TYR 45 0.658 0.481 -4.326 379 HD1 TYR 45 1HD TYR 45 -0.542 1.678 -7.167 380 HD2 TYR 45 2HD TYR 45 2.229 2.947 -4.184 381 HE1 TYR 45 1HE TYR 45 0.617 3.078 -8.850 382 HE2 TYR 45 2HE TYR 45 3.397 4.348 -5.851 383 HH TYR 45 HH TYR 45 3.506 5.001 -8.033 384 H LYS 46 H LYS 46 -2.718 1.539 -2.965 385 HA LYS 46 HA LYS 46 -2.760 -0.949 -1.521 386 HB2 LYS 46 1HB LYS 46 -3.262 1.228 -0.521 387 HB3 LYS 46 2HB LYS 46 -4.725 1.348 -1.526 388 HG2 LYS 46 1HG LYS 46 -5.738 -0.525 -0.387 389 HG3 LYS 46 2HG LYS 46 -4.235 -0.846 0.513 390 HD2 LYS 46 1HD LYS 46 -4.438 1.255 1.704 391 HD3 LYS 46 2HD LYS 46 -5.845 1.720 0.718 392 HE2 LYS 46 1HE LYS 46 -6.519 0.905 2.942 393 HE3 LYS 46 2HE LYS 46 -7.139 -0.128 1.634 394 HZ1 LYS 46 3HZ LYS 46 -4.769 -0.702 3.293 395 HZ2 LYS 46 1HZ LYS 46 -6.243 -1.426 3.444 396 HZ3 LYS 46 2HZ LYS 46 -5.345 -1.660 2.080 397 H ASP 47 H ASP 47 -4.973 0.459 -3.919 398 HA ASP 47 HA ASP 47 -6.844 -1.727 -3.903 399 HB2 ASP 47 1HB ASP 47 -6.135 0.290 -6.116 400 HB3 ASP 47 2HB ASP 47 -7.327 -1.032 -6.141 401 H GLU 48 H GLU 48 -3.781 -1.206 -5.582 402 HA GLU 48 HA GLU 48 -3.939 -3.566 -7.234 403 HB2 GLU 48 1HB GLU 48 -1.627 -1.969 -6.134 404 HB3 GLU 48 2HB GLU 48 -1.432 -3.360 -7.226 405 HG2 GLU 48 1HG GLU 48 -2.804 -2.090 -8.976 406 HG3 GLU 48 2HG GLU 48 -2.883 -0.801 -7.754 407 H ILE 49 H ILE 49 -2.858 -3.006 -3.916 408 HA ILE 49 HA ILE 49 -1.939 -5.714 -3.446 409 HB ILE 49 HB ILE 49 -3.068 -3.588 -1.569 410 HG12 ILE 49 1HG1 ILE 49 -0.239 -4.535 -1.917 411 HG13 ILE 49 2HG1 ILE 49 -0.933 -3.128 -2.755 412 HG21 ILE 49 1HG2 ILE 49 -2.156 -4.983 0.257 413 HG22 ILE 49 2HG2 ILE 49 -3.415 -5.855 -0.647 414 HG23 ILE 49 3HG2 ILE 49 -1.698 -6.232 -0.925 415 HD11 ILE 49 3HD1 ILE 49 -0.695 -3.466 0.255 416 HD12 ILE 49 1HD1 ILE 49 0.340 -2.438 -0.762 417 HD13 ILE 49 2HD1 ILE 49 -1.389 -2.058 -0.584 418 H LYS 50 H LYS 50 -5.112 -4.174 -3.090 419 HA LYS 50 HA LYS 50 -6.431 -6.453 -1.980 420 HB2 LYS 50 1HB LYS 50 -7.431 -4.203 -3.727 421 HB3 LYS 50 2HB LYS 50 -8.481 -5.422 -2.968 422 HG2 LYS 50 1HG LYS 50 -7.740 -4.682 -0.743 423 HG3 LYS 50 2HG LYS 50 -6.674 -3.472 -1.496 424 HD2 LYS 50 1HD LYS 50 -8.649 -2.391 -2.519 425 HD3 LYS 50 2HD LYS 50 -9.702 -3.585 -1.724 426 HE2 LYS 50 1HE LYS 50 -8.907 -2.815 0.475 427 HE3 LYS 50 2HE LYS 50 -7.869 -1.612 -0.326 428 HZ1 LYS 50 3HZ LYS 50 -10.814 -1.705 -0.474 429 HZ2 LYS 50 1HZ LYS 50 -9.933 -0.644 0.429 430 HZ3 LYS 50 2HZ LYS 50 -9.851 -0.590 -1.218 431 H THR 51 H THR 51 -5.664 -5.581 -5.311 432 HA THR 51 HA THR 51 -7.157 -7.933 -6.327 433 HB THR 51 HB THR 51 -6.453 -7.155 -8.549 434 HG1 THR 51 1HG THR 51 -5.199 -5.197 -8.660 435 HG21 THR 51 3HG2 THR 51 -7.429 -4.869 -6.790 436 HG22 THR 51 1HG2 THR 51 -7.583 -4.957 -8.560 437 HG23 THR 51 2HG2 THR 51 -8.454 -6.121 -7.531 438 H PHE 52 H PHE 52 -3.945 -7.066 -5.384 439 HA PHE 52 HA PHE 52 -2.518 -9.115 -6.809 440 HB2 PHE 52 1HB PHE 52 -1.326 -7.294 -5.680 441 HB3 PHE 52 2HB PHE 52 -1.962 -7.820 -4.106 442 HD1 PHE 52 1HD PHE 52 0.245 -8.786 -6.915 443 HD2 PHE 52 2HD PHE 52 -0.904 -9.475 -2.859 444 HE1 PHE 52 1HE PHE 52 2.220 -10.240 -6.604 445 HE2 PHE 52 2HE PHE 52 1.071 -10.928 -2.543 446 HZ PHE 52 HZ PHE 52 2.633 -11.311 -4.418 447 H THR 53 H THR 53 -3.973 -9.110 -3.546 448 HA THR 53 HA THR 53 -3.172 -11.820 -2.970 449 HB THR 53 HB THR 53 -4.761 -11.690 -1.099 450 HG1 THR 53 1HG THR 53 -5.590 -9.249 -2.342 451 HG21 THR 53 3HG2 THR 53 -3.285 -9.062 -1.537 452 HG22 THR 53 1HG2 THR 53 -3.859 -9.685 0.028 453 HG23 THR 53 2HG2 THR 53 -2.581 -10.550 -0.859 454 H VAL 54 H VAL 54 -5.811 -10.469 -4.774 455 HA VAL 54 HA VAL 54 -7.349 -12.977 -4.879 456 HB VAL 54 HB VAL 54 -7.371 -10.480 -6.627 457 HG11 VAL 54 1HG1 VAL 54 -9.479 -11.394 -7.539 458 HG12 VAL 54 2HG1 VAL 54 -8.109 -12.477 -7.882 459 HG13 VAL 54 3HG1 VAL 54 -9.255 -12.874 -6.578 460 HG21 VAL 54 3HG2 VAL 54 -8.126 -10.064 -4.361 461 HG22 VAL 54 1HG2 VAL 54 -9.488 -10.000 -5.506 462 HG23 VAL 54 2HG2 VAL 54 -9.264 -11.430 -4.470 463 H THR 55 H THR 55 -4.895 -11.416 -6.902 464 HA THR 55 HA THR 55 -5.038 -13.728 -8.773 465 HB THR 55 HB THR 55 -3.529 -12.407 -10.198 466 HG1 THR 55 1HG THR 55 -2.981 -10.262 -9.485 467 HG21 THR 55 3HG2 THR 55 -5.844 -10.751 -9.120 468 HG22 THR 55 1HG2 THR 55 -5.039 -10.514 -10.688 469 HG23 THR 55 2HG2 THR 55 -5.961 -12.005 -10.377 470 H GLU 56 H GLU 56 -3.571 -13.126 -5.927 471 HA GLU 56 HA GLU 56 -0.838 -13.895 -6.483 472 HB2 GLU 56 1HB GLU 56 -1.597 -12.728 -4.441 473 HB3 GLU 56 2HB GLU 56 -2.461 -14.206 -3.951 474 HG2 GLU 56 1HG GLU 56 -0.230 -15.419 -3.827 475 HG3 GLU 56 2HG GLU 56 0.480 -13.888 -4.389 Start of MODEL 6 1 H1 THR 1 1H THR 1 8.981 16.355 -4.852 2 H2 THR 1 2H THR 1 8.728 17.719 -5.421 3 H3 THR 1 3H THR 1 8.594 17.485 -3.945 4 HA THR 1 HA THR 1 6.464 17.314 -5.808 5 HB THR 1 HB THR 1 5.647 15.058 -5.550 6 HG1 THR 1 1HG THR 1 7.931 14.629 -3.880 7 HG21 THR 1 3HG2 THR 1 8.625 14.990 -6.180 8 HG22 THR 1 1HG2 THR 1 7.435 13.751 -6.642 9 HG23 THR 1 2HG2 THR 1 7.329 15.389 -7.330 10 H THR 2 H THR 2 4.453 16.139 -4.513 11 HA THR 2 HA THR 2 4.082 17.897 -2.200 12 HB THR 2 HB THR 2 1.854 16.786 -2.041 13 HG1 THR 2 1HG THR 2 2.807 14.754 -3.032 14 HG21 THR 2 3HG2 THR 2 2.624 17.654 -4.853 15 HG22 THR 2 1HG2 THR 2 0.971 17.597 -4.199 16 HG23 THR 2 2HG2 THR 2 2.158 18.738 -3.523 17 H TYR 3 H TYR 3 5.395 14.801 -2.669 18 HA TYR 3 HA TYR 3 4.648 13.480 -0.261 19 HB2 TYR 3 1HB TYR 3 5.815 12.339 -2.030 20 HB3 TYR 3 2HB TYR 3 7.216 13.422 -1.850 21 HD1 TYR 3 1HD TYR 3 5.235 10.808 -0.066 22 HD2 TYR 3 2HD TYR 3 8.946 12.893 -0.335 23 HE1 TYR 3 1HE TYR 3 6.221 9.251 1.588 24 HE2 TYR 3 2HE TYR 3 9.946 11.347 1.316 25 HH TYR 3 HH TYR 3 9.611 9.539 2.660 26 H LYS 4 H LYS 4 7.391 15.674 -0.891 27 HA LYS 4 HA LYS 4 8.195 15.584 1.934 28 HB2 LYS 4 1HB LYS 4 9.099 17.243 -0.421 29 HB3 LYS 4 2HB LYS 4 9.797 17.348 1.212 30 HG2 LYS 4 1HG LYS 4 10.475 14.975 1.063 31 HG3 LYS 4 2HG LYS 4 9.804 14.898 -0.585 32 HD2 LYS 4 1HD LYS 4 11.387 16.625 -1.321 33 HD3 LYS 4 2HD LYS 4 12.045 16.736 0.329 34 HE2 LYS 4 1HE LYS 4 12.732 14.372 0.205 35 HE3 LYS 4 2HE LYS 4 12.095 14.280 -1.454 36 HZ1 LYS 4 3HZ LYS 4 14.291 16.034 -0.554 37 HZ2 LYS 4 1HZ LYS 4 14.468 14.649 -1.431 38 HZ3 LYS 4 2HZ LYS 4 13.700 15.951 -2.092 39 H LEU 5 H LEU 5 6.073 17.474 -0.024 40 HA LEU 5 HA LEU 5 6.177 19.848 1.685 41 HB2 LEU 5 1HB LEU 5 4.361 18.847 -0.405 42 HB3 LEU 5 2HB LEU 5 4.090 20.469 0.275 43 HG LEU 5 HG LEU 5 6.530 19.542 -1.292 44 HD11 LEU 5 1HD1 LEU 5 5.737 21.207 -2.992 45 HD12 LEU 5 2HD1 LEU 5 4.517 19.945 -2.706 46 HD13 LEU 5 3HD1 LEU 5 4.323 21.554 -1.971 47 HD21 LEU 5 3HD2 LEU 5 7.150 21.114 0.447 48 HD22 LEU 5 1HD2 LEU 5 7.272 21.893 -1.149 49 HD23 LEU 5 2HD2 LEU 5 5.887 22.248 -0.088 50 H ILE 6 H ILE 6 4.282 16.908 1.530 51 HA ILE 6 HA ILE 6 2.633 17.921 3.834 52 HB ILE 6 HB ILE 6 1.773 16.025 1.599 53 HG12 ILE 6 1HG1 ILE 6 0.814 18.812 2.181 54 HG13 ILE 6 2HG1 ILE 6 2.001 18.385 0.927 55 HG21 ILE 6 1HG2 ILE 6 -0.447 16.171 2.674 56 HG22 ILE 6 2HG2 ILE 6 0.762 15.502 3.793 57 HG23 ILE 6 3HG2 ILE 6 0.239 17.195 3.956 58 HD11 ILE 6 3HD1 ILE 6 -0.871 17.404 1.064 59 HD12 ILE 6 1HD1 ILE 6 -0.250 18.656 -0.036 60 HD13 ILE 6 2HD1 ILE 6 0.317 16.975 -0.189 61 H LEU 7 H LEU 7 3.051 17.002 5.625 62 HA LEU 7 HA LEU 7 4.667 14.618 5.788 63 HB2 LEU 7 1HB LEU 7 2.956 16.090 7.677 64 HB3 LEU 7 2HB LEU 7 3.987 14.776 8.288 65 HG LEU 7 HG LEU 7 4.930 17.358 6.982 66 HD11 LEU 7 1HD1 LEU 7 5.882 17.849 9.251 67 HD12 LEU 7 2HD1 LEU 7 4.115 17.658 9.320 68 HD13 LEU 7 3HD1 LEU 7 5.175 16.333 9.858 69 HD21 LEU 7 3HD2 LEU 7 6.378 15.500 6.410 70 HD22 LEU 7 1HD2 LEU 7 7.205 16.584 7.554 71 HD23 LEU 7 2HD2 LEU 7 6.518 15.043 8.124 72 H ASN 8 H ASN 8 1.226 15.179 5.683 73 HA ASN 8 HA ASN 8 0.406 12.606 6.694 74 HB2 ASN 8 1HB ASN 8 -1.200 14.477 4.792 75 HB3 ASN 8 2HB ASN 8 -1.466 12.879 5.532 76 HD21 ASN 8 2HD2 ASN 8 -2.825 15.504 5.847 77 HD22 ASN 8 1HD2 ASN 8 -2.818 15.813 7.550 78 H LEU 9 H LEU 9 1.596 13.687 3.586 79 HA LEU 9 HA LEU 9 0.798 11.243 2.194 80 HB2 LEU 9 1HB LEU 9 2.281 13.668 1.734 81 HB3 LEU 9 2HB LEU 9 2.803 12.363 0.643 82 HG LEU 9 HG LEU 9 0.583 12.164 -0.285 83 HD11 LEU 9 1HD1 LEU 9 -1.276 13.671 0.465 84 HD12 LEU 9 2HD1 LEU 9 -0.702 12.640 1.797 85 HD13 LEU 9 3HD1 LEU 9 -0.204 14.347 1.714 86 HD21 LEU 9 3HD2 LEU 9 2.007 13.861 -1.272 87 HD22 LEU 9 1HD2 LEU 9 0.309 14.388 -1.324 88 HD23 LEU 9 2HD2 LEU 9 1.415 15.073 -0.111 89 H LYS 10 H LYS 10 3.620 12.350 3.969 90 HA LYS 10 HA LYS 10 5.306 10.101 3.306 91 HB2 LYS 10 1HB LYS 10 5.168 11.901 5.728 92 HB3 LYS 10 2HB LYS 10 6.422 10.665 5.465 93 HG2 LYS 10 1HG LYS 10 7.092 11.837 3.377 94 HG3 LYS 10 2HG LYS 10 5.895 13.104 3.734 95 HD2 LYS 10 1HD LYS 10 7.056 13.576 5.869 96 HD3 LYS 10 2HD LYS 10 8.276 12.345 5.460 97 HE2 LYS 10 1HE LYS 10 8.855 13.624 3.426 98 HE3 LYS 10 2HE LYS 10 7.671 14.869 3.886 99 HZ1 LYS 10 3HZ LYS 10 10.055 14.109 5.450 100 HZ2 LYS 10 1HZ LYS 10 9.899 15.476 4.541 101 HZ3 LYS 10 2HZ LYS 10 8.955 15.263 5.877 102 H GLN 11 H GLN 11 2.886 10.650 5.845 103 HA GLN 11 HA GLN 11 3.262 8.063 7.087 104 HB2 GLN 11 1HB GLN 11 0.938 9.995 7.023 105 HB3 GLN 11 2HB GLN 11 0.965 8.500 7.989 106 HG2 GLN 11 1HG GLN 11 3.057 9.588 9.312 107 HG3 GLN 11 2HG GLN 11 2.720 10.795 8.049 108 HE21 GLN 11 2HE2 GLN 11 2.820 11.341 10.832 109 HE22 GLN 11 1HE2 GLN 11 1.236 11.826 11.342 110 H ALA 12 H ALA 12 1.100 9.262 4.540 111 HA ALA 12 HA ALA 12 -0.402 6.893 4.171 112 HB1 ALA 12 1HB ALA 12 -0.776 7.712 1.877 113 HB2 ALA 12 2HB ALA 12 -0.953 9.018 3.072 114 HB3 ALA 12 3HB ALA 12 0.528 8.904 2.091 115 H LYS 13 H LYS 13 2.721 7.849 2.741 116 HA LYS 13 HA LYS 13 3.119 5.499 1.171 117 HB2 LYS 13 1HB LYS 13 4.464 7.548 1.007 118 HB3 LYS 13 2HB LYS 13 5.154 7.209 2.611 119 HG2 LYS 13 1HG LYS 13 6.147 5.127 1.740 120 HG3 LYS 13 2HG LYS 13 5.468 5.480 0.134 121 HD2 LYS 13 1HD LYS 13 6.796 7.529 -0.003 122 HD3 LYS 13 2HD LYS 13 7.436 7.242 1.632 123 HE2 LYS 13 1HE LYS 13 8.448 5.129 0.846 124 HE3 LYS 13 2HE LYS 13 7.841 5.464 -0.793 125 HZ1 LYS 13 3HZ LYS 13 9.760 7.135 0.699 126 HZ2 LYS 13 1HZ LYS 13 10.139 6.119 -0.543 127 HZ3 LYS 13 2HZ LYS 13 9.198 7.446 -0.820 128 H GLU 14 H GLU 14 4.045 6.195 4.544 129 HA GLU 14 HA GLU 14 5.455 3.759 4.990 130 HB2 GLU 14 1HB GLU 14 3.921 5.593 6.828 131 HB3 GLU 14 2HB GLU 14 4.829 4.173 7.402 132 HG2 GLU 14 1HG GLU 14 6.961 5.205 6.514 133 HG3 GLU 14 2HG GLU 14 5.923 6.502 5.880 134 H GLU 15 H GLU 15 2.008 4.518 5.233 135 HA GLU 15 HA GLU 15 1.188 2.006 6.351 136 HB2 GLU 15 1HB GLU 15 -0.192 3.990 4.544 137 HB3 GLU 15 2HB GLU 15 -0.987 2.541 5.207 138 HG2 GLU 15 1HG GLU 15 -0.664 3.426 7.535 139 HG3 GLU 15 2HG GLU 15 0.289 4.730 6.791 140 H ALA 16 H ALA 16 1.429 3.073 2.953 141 HA ALA 16 HA ALA 16 0.541 0.546 1.905 142 HB1 ALA 16 1HB ALA 16 1.363 1.407 -0.254 143 HB2 ALA 16 2HB ALA 16 0.395 2.626 0.610 144 HB3 ALA 16 3HB ALA 16 2.170 2.748 0.592 145 H ILE 17 H ILE 17 3.671 1.800 2.863 146 HA ILE 17 HA ILE 17 5.296 -0.272 1.683 147 HB ILE 17 HB ILE 17 5.649 1.448 4.174 148 HG12 ILE 17 1HG1 ILE 17 7.039 1.528 1.511 149 HG13 ILE 17 2HG1 ILE 17 5.657 2.548 1.972 150 HG21 ILE 17 1HG2 ILE 17 7.992 0.663 4.192 151 HG22 ILE 17 2HG2 ILE 17 6.863 -0.687 4.451 152 HG23 ILE 17 3HG2 ILE 17 7.628 -0.459 2.860 153 HD11 ILE 17 3HD1 ILE 17 8.371 2.504 3.339 154 HD12 ILE 17 1HD1 ILE 17 7.784 3.764 2.229 155 HD13 ILE 17 2HD1 ILE 17 6.987 3.524 3.802 156 H LYS 18 H LYS 18 3.781 -0.062 4.897 157 HA LYS 18 HA LYS 18 4.679 -2.708 5.667 158 HB2 LYS 18 1HB LYS 18 2.473 -0.910 6.679 159 HB3 LYS 18 2HB LYS 18 2.905 -2.473 7.414 160 HG2 LYS 18 1HG LYS 18 5.167 -1.628 7.889 161 HG3 LYS 18 2HG LYS 18 4.740 -0.066 7.150 162 HD2 LYS 18 1HD LYS 18 2.970 0.242 8.844 163 HD3 LYS 18 2HD LYS 18 3.427 -1.307 9.592 164 HE2 LYS 18 1HE LYS 18 5.663 -0.437 10.069 165 HE3 LYS 18 2HE LYS 18 5.245 1.102 9.283 166 HZ1 LYS 18 3HZ LYS 18 3.953 0.006 11.698 167 HZ2 LYS 18 1HZ LYS 18 5.045 1.241 11.671 168 HZ3 LYS 18 2HZ LYS 18 3.566 1.434 10.968 169 H GLU 19 H GLU 19 1.933 -1.489 3.881 170 HA GLU 19 HA GLU 19 0.394 -3.957 4.049 171 HB2 GLU 19 1HB GLU 19 0.328 -1.563 2.217 172 HB3 GLU 19 2HB GLU 19 -0.763 -2.958 2.036 173 HG2 GLU 19 1HG GLU 19 -0.654 -1.072 4.469 174 HG3 GLU 19 2HG GLU 19 -1.848 -1.182 3.155 175 H LEU 20 H LEU 20 2.809 -2.654 1.819 176 HA LEU 20 HA LEU 20 2.674 -4.866 -0.035 177 HB2 LEU 20 1HB LEU 20 4.650 -2.855 0.760 178 HB3 LEU 20 2HB LEU 20 5.158 -4.032 -0.474 179 HG LEU 20 HG LEU 20 2.790 -2.137 -0.724 180 HD11 LEU 20 1HD1 LEU 20 4.216 -0.929 -2.400 181 HD12 LEU 20 2HD1 LEU 20 4.965 -0.918 -0.785 182 HD13 LEU 20 3HD1 LEU 20 5.557 -2.039 -2.035 183 HD21 LEU 20 3HD2 LEU 20 2.498 -4.200 -1.964 184 HD22 LEU 20 1HD2 LEU 20 2.778 -2.850 -3.089 185 HD23 LEU 20 2HD2 LEU 20 4.090 -4.000 -2.731 186 H VAL 21 H VAL 21 4.454 -4.304 2.968 187 HA VAL 21 HA VAL 21 5.956 -6.779 2.928 188 HB VAL 21 HB VAL 21 4.902 -5.089 5.232 189 HG11 VAL 21 1HG1 VAL 21 6.486 -6.368 6.633 190 HG12 VAL 21 2HG1 VAL 21 5.246 -7.435 5.931 191 HG13 VAL 21 3HG1 VAL 21 6.887 -7.399 5.240 192 HG21 VAL 21 3HG2 VAL 21 6.519 -3.935 3.845 193 HG22 VAL 21 1HG2 VAL 21 7.221 -4.346 5.428 194 HG23 VAL 21 2HG2 VAL 21 7.648 -5.304 3.990 195 H ASP 22 H ASP 22 2.733 -5.992 4.210 196 HA ASP 22 HA ASP 22 2.189 -8.680 5.102 197 HB2 ASP 22 1HB ASP 22 0.283 -6.384 4.350 198 HB3 ASP 22 2HB ASP 22 -0.105 -8.027 4.915 199 H ALA 23 H ALA 23 1.678 -7.005 2.023 200 HA ALA 23 HA ALA 23 0.335 -9.217 0.757 201 HB1 ALA 23 1HB ALA 23 0.899 -8.061 -1.345 202 HB2 ALA 23 2HB ALA 23 0.228 -6.936 -0.142 203 HB3 ALA 23 3HB ALA 23 1.980 -6.967 -0.450 204 H GLY 24 H GLY 24 3.706 -8.412 1.310 205 HA2 GLY 24 1HA GLY 24 5.488 -9.933 1.337 206 HA3 GLY 24 2HA GLY 24 4.424 -11.174 0.633 207 H ILE 25 H ILE 25 4.863 -7.926 -0.685 208 HA ILE 25 HA ILE 25 5.991 -9.194 -3.168 209 HB ILE 25 HB ILE 25 4.458 -6.569 -2.912 210 HG12 ILE 25 1HG1 ILE 25 3.001 -8.356 -2.305 211 HG13 ILE 25 2HG1 ILE 25 2.569 -7.693 -3.898 212 HG21 ILE 25 1HG2 ILE 25 4.293 -6.761 -5.369 213 HG22 ILE 25 2HG2 ILE 25 5.992 -6.724 -4.844 214 HG23 ILE 25 3HG2 ILE 25 5.240 -8.267 -5.317 215 HD11 ILE 25 3HD1 ILE 25 4.096 -10.272 -3.400 216 HD12 ILE 25 1HD1 ILE 25 2.389 -10.150 -3.879 217 HD13 ILE 25 2HD1 ILE 25 3.667 -9.608 -4.994 218 H ALA 26 H ALA 26 8.092 -9.084 -3.040 219 HA ALA 26 HA ALA 26 9.410 -6.889 -1.685 220 HB1 ALA 26 1HB ALA 26 11.488 -7.990 -2.423 221 HB2 ALA 26 2HB ALA 26 10.358 -9.152 -1.688 222 HB3 ALA 26 3HB ALA 26 10.538 -9.083 -3.456 223 H GLU 27 H GLU 27 8.950 -7.804 -5.086 224 HA GLU 27 HA GLU 27 10.692 -5.876 -6.239 225 HB2 GLU 27 1HB GLU 27 9.659 -7.752 -7.444 226 HB3 GLU 27 2HB GLU 27 8.076 -6.952 -7.304 227 HG2 GLU 27 1HG GLU 27 8.916 -5.065 -8.754 228 HG3 GLU 27 2HG GLU 27 10.496 -5.879 -8.693 229 H LYS 28 H LYS 28 7.217 -5.614 -5.475 230 HA LYS 28 HA LYS 28 7.119 -2.845 -6.412 231 HB2 LYS 28 1HB LYS 28 5.164 -4.439 -4.747 232 HB3 LYS 28 2HB LYS 28 4.854 -2.868 -5.525 233 HG2 LYS 28 1HG LYS 28 5.524 -5.433 -7.006 234 HG3 LYS 28 2HG LYS 28 3.875 -4.809 -6.760 235 HD2 LYS 28 1HD LYS 28 4.496 -2.734 -7.950 236 HD3 LYS 28 2HD LYS 28 6.130 -3.386 -8.218 237 HE2 LYS 28 1HE LYS 28 5.169 -5.262 -9.491 238 HE3 LYS 28 2HE LYS 28 3.539 -4.600 -9.229 239 HZ1 LYS 28 3HZ LYS 28 5.718 -3.259 -10.698 240 HZ2 LYS 28 1HZ LYS 28 4.410 -3.994 -11.384 241 HZ3 LYS 28 2HZ LYS 28 4.206 -2.645 -10.457 242 H TYR 29 H TYR 29 7.769 -4.453 -3.391 243 HA TYR 29 HA TYR 29 7.456 -2.284 -1.591 244 HB2 TYR 29 1HB TYR 29 8.053 -4.607 -0.981 245 HB3 TYR 29 2HB TYR 29 9.673 -4.336 -1.666 246 HD1 TYR 29 1HD TYR 29 7.377 -3.449 1.095 247 HD2 TYR 29 2HD TYR 29 11.324 -3.041 -0.468 248 HE1 TYR 29 1HE TYR 29 8.135 -2.530 3.267 249 HE2 TYR 29 2HE TYR 29 12.096 -2.122 1.692 250 HH TYR 29 HH TYR 29 11.517 -1.540 3.816 251 H PHE 30 H PHE 30 9.952 -2.909 -3.996 252 HA PHE 30 HA PHE 30 11.443 -0.501 -3.029 253 HB2 PHE 30 1HB PHE 30 12.259 -2.793 -4.869 254 HB3 PHE 30 2HB PHE 30 13.273 -1.377 -4.507 255 HD1 PHE 30 2HD PHE 30 13.761 -0.929 -2.010 256 HD2 PHE 30 1HD PHE 30 12.424 -4.671 -3.580 257 HE1 PHE 30 2HE PHE 30 14.674 -2.085 -0.026 258 HE2 PHE 30 1HE PHE 30 13.333 -5.830 -1.595 259 HZ PHE 30 HZ PHE 30 14.457 -4.537 0.183 260 H LYS 31 H LYS 31 9.459 -1.688 -5.602 261 HA LYS 31 HA LYS 31 10.347 0.529 -7.397 262 HB2 LYS 31 1HB LYS 31 8.622 -1.909 -7.846 263 HB3 LYS 31 2HB LYS 31 8.907 -0.639 -9.059 264 HG2 LYS 31 1HG LYS 31 11.367 -1.140 -8.888 265 HG3 LYS 31 2HG LYS 31 10.952 -2.529 -7.856 266 HD2 LYS 31 1HD LYS 31 9.512 -3.398 -9.709 267 HD3 LYS 31 2HD LYS 31 10.105 -2.071 -10.734 268 HE2 LYS 31 1HE LYS 31 12.402 -2.880 -10.481 269 HE3 LYS 31 2HE LYS 31 11.832 -4.190 -9.420 270 HZ1 LYS 31 3HZ LYS 31 11.097 -3.838 -12.255 271 HZ2 LYS 31 1HZ LYS 31 12.167 -4.951 -11.673 272 HZ3 LYS 31 2HZ LYS 31 10.569 -5.053 -11.273 273 H LEU 32 H LEU 32 7.290 -0.919 -6.204 274 HA LEU 32 HA LEU 32 5.704 1.079 -7.538 275 HB2 LEU 32 1HB LEU 32 4.980 -1.070 -7.041 276 HB3 LEU 32 2HB LEU 32 4.989 -0.865 -5.274 277 HG LEU 32 HG LEU 32 3.310 1.025 -5.626 278 HD11 LEU 32 1HD1 LEU 32 1.981 0.904 -7.749 279 HD12 LEU 32 2HD1 LEU 32 3.683 1.305 -8.074 280 HD13 LEU 32 3HD1 LEU 32 3.089 -0.348 -8.354 281 HD21 LEU 32 3HD2 LEU 32 2.673 -1.130 -4.714 282 HD22 LEU 32 1HD2 LEU 32 1.391 -0.522 -5.788 283 HD23 LEU 32 2HD2 LEU 32 2.494 -1.803 -6.351 284 H ILE 33 H ILE 33 6.324 0.607 -4.042 285 HA ILE 33 HA ILE 33 4.903 3.077 -3.396 286 HB ILE 33 HB ILE 33 5.127 1.026 -1.860 287 HG12 ILE 33 1HG1 ILE 33 5.139 2.304 0.126 288 HG13 ILE 33 2HG1 ILE 33 6.033 3.625 -0.659 289 HG21 ILE 33 1HG2 ILE 33 7.172 0.938 -0.475 290 HG22 ILE 33 2HG2 ILE 33 7.550 0.665 -2.191 291 HG23 ILE 33 3HG2 ILE 33 7.888 2.245 -1.446 292 HD11 ILE 33 3HD1 ILE 33 3.205 2.741 -1.336 293 HD12 ILE 33 1HD1 ILE 33 3.647 4.191 -0.406 294 HD13 ILE 33 2HD1 ILE 33 4.099 4.064 -2.123 295 H ALA 34 H ALA 34 8.129 2.339 -4.305 296 HA ALA 34 HA ALA 34 9.433 4.527 -3.000 297 HB1 ALA 34 1HB ALA 34 11.203 4.195 -4.683 298 HB2 ALA 34 2HB ALA 34 10.667 2.648 -3.984 299 HB3 ALA 34 3HB ALA 34 10.120 3.128 -5.608 300 H ASN 35 H ASN 35 7.309 4.379 -5.723 301 HA ASN 35 HA ASN 35 8.208 7.056 -6.690 302 HB2 ASN 35 1HB ASN 35 6.252 5.106 -8.126 303 HB3 ASN 35 2HB ASN 35 6.794 6.788 -8.351 304 HD21 ASN 35 2HD2 ASN 35 7.102 4.170 -9.869 305 HD22 ASN 35 1HD2 ASN 35 8.796 4.096 -10.229 306 H ALA 36 H ALA 36 6.490 6.257 -4.213 307 HA ALA 36 HA ALA 36 3.917 7.433 -4.642 308 HB1 ALA 36 1HB ALA 36 3.825 7.605 -2.185 309 HB2 ALA 36 2HB ALA 36 4.413 6.008 -2.707 310 HB3 ALA 36 3HB ALA 36 5.560 7.224 -2.096 311 H LYS 37 H LYS 37 3.410 9.408 -5.164 312 HA LYS 37 HA LYS 37 5.140 11.635 -4.131 313 HB2 LYS 37 1HB LYS 37 3.490 11.463 -6.656 314 HB3 LYS 37 2HB LYS 37 4.298 12.930 -6.059 315 HG2 LYS 37 1HG LYS 37 6.483 11.835 -6.296 316 HG3 LYS 37 2HG LYS 37 5.684 10.351 -6.870 317 HD2 LYS 37 1HD LYS 37 4.765 11.605 -8.792 318 HD3 LYS 37 2HD LYS 37 5.604 13.069 -8.226 319 HE2 LYS 37 1HE LYS 37 7.764 11.957 -8.484 320 HE3 LYS 37 2HE LYS 37 6.949 10.462 -8.999 321 HZ1 LYS 37 3HZ LYS 37 6.865 13.040 -10.429 322 HZ2 LYS 37 1HZ LYS 37 7.755 11.726 -10.875 323 HZ3 LYS 37 2HZ LYS 37 6.106 11.655 -10.907 324 H THR 38 H THR 38 1.806 10.731 -5.015 325 HA THR 38 HA THR 38 0.878 12.713 -2.959 326 HB THR 38 HB THR 38 -1.179 12.972 -4.213 327 HG1 THR 38 1HG THR 38 -1.407 11.847 -6.240 328 HG21 THR 38 3HG2 THR 38 1.212 13.137 -6.089 329 HG22 THR 38 1HG2 THR 38 -0.336 13.987 -6.301 330 HG23 THR 38 2HG2 THR 38 0.718 14.388 -4.924 331 H VAL 39 H VAL 39 -1.147 12.197 -1.897 332 HA VAL 39 HA VAL 39 -1.231 9.470 -0.885 333 HB VAL 39 HB VAL 39 -2.058 11.595 0.315 334 HG11 VAL 39 1HG1 VAL 39 -4.417 12.198 -0.121 335 HG12 VAL 39 2HG1 VAL 39 -3.404 12.490 -1.555 336 HG13 VAL 39 3HG1 VAL 39 -4.456 11.056 -1.486 337 HG21 VAL 39 3HG2 VAL 39 -2.428 9.359 1.175 338 HG22 VAL 39 1HG2 VAL 39 -3.851 10.389 1.456 339 HG23 VAL 39 2HG2 VAL 39 -3.871 9.181 0.149 340 H GLU 40 H GLU 40 -2.703 11.058 -3.601 341 HA GLU 40 HA GLU 40 -4.677 8.959 -4.061 342 HB2 GLU 40 1HB GLU 40 -3.469 11.084 -5.835 343 HB3 GLU 40 2HB GLU 40 -4.748 9.957 -6.348 344 HG2 GLU 40 1HG GLU 40 -6.281 10.941 -4.587 345 HG3 GLU 40 2HG GLU 40 -4.886 11.933 -4.109 346 H GLY 41 H GLY 41 -1.376 9.607 -5.202 347 HA2 GLY 41 1HA GLY 41 -1.142 7.298 -6.863 348 HA3 GLY 41 2HA GLY 41 0.195 8.132 -6.036 349 H VAL 42 H VAL 42 -0.612 7.800 -3.372 350 HA VAL 42 HA VAL 42 0.203 5.079 -2.781 351 HB VAL 42 HB VAL 42 -1.101 7.232 -1.065 352 HG11 VAL 42 1HG1 VAL 42 -0.436 5.828 0.857 353 HG12 VAL 42 2HG1 VAL 42 -1.598 4.976 -0.186 354 HG13 VAL 42 3HG1 VAL 42 0.133 4.566 -0.260 355 HG21 VAL 42 3HG2 VAL 42 1.115 7.820 -1.849 356 HG22 VAL 42 1HG2 VAL 42 1.131 7.473 -0.104 357 HG23 VAL 42 2HG2 VAL 42 1.756 6.268 -1.256 358 H TRP 43 H TRP 43 -2.962 6.663 -2.900 359 HA TRP 43 HA TRP 43 -4.449 4.389 -1.967 360 HB2 TRP 43 1HB TRP 43 -5.171 6.782 -3.701 361 HB3 TRP 43 2HB TRP 43 -6.351 5.524 -3.263 362 HD1 TRP 43 HD TRP 43 -4.939 5.310 -0.343 363 HE1 TRP 43 1HE TRP 43 -5.729 7.115 1.508 364 HE3 TRP 43 3HE TRP 43 -6.821 8.822 -3.500 365 HZ2 TRP 43 2HZ TRP 43 -6.943 9.595 1.443 366 HZ3 TRP 43 3HZ TRP 43 -7.776 10.861 -2.616 367 HH2 TRP 43 HH TRP 43 -7.862 11.301 -0.201 368 H THR 44 H THR 44 -3.458 5.399 -5.232 369 HA THR 44 HA THR 44 -4.590 3.157 -6.615 370 HB THR 44 HB THR 44 -2.064 4.748 -7.224 371 HG1 THR 44 1HG THR 44 -3.521 5.817 -8.689 372 HG21 THR 44 3HG2 THR 44 -3.735 2.910 -8.984 373 HG22 THR 44 1HG2 THR 44 -2.354 3.895 -9.523 374 HG23 THR 44 2HG2 THR 44 -2.101 2.562 -8.373 375 H TYR 45 H TYR 45 -1.490 3.571 -4.938 376 HA TYR 45 HA TYR 45 -0.455 0.970 -5.620 377 HB2 TYR 45 1HB TYR 45 0.068 2.737 -3.221 378 HB3 TYR 45 2HB TYR 45 1.022 1.308 -3.689 379 HD1 TYR 45 1HD TYR 45 0.311 2.417 -6.758 380 HD2 TYR 45 2HD TYR 45 2.458 3.795 -3.341 381 HE1 TYR 45 1HE TYR 45 1.717 3.835 -8.223 382 HE2 TYR 45 2HE TYR 45 3.871 5.217 -4.788 383 HH TYR 45 HH TYR 45 3.422 5.331 -8.330 384 H LYS 46 H LYS 46 -2.512 2.131 -2.985 385 HA LYS 46 HA LYS 46 -2.580 -0.398 -1.577 386 HB2 LYS 46 1HB LYS 46 -4.416 1.993 -1.652 387 HB3 LYS 46 2HB LYS 46 -4.719 0.562 -0.639 388 HG2 LYS 46 1HG LYS 46 -2.554 0.939 0.505 389 HG3 LYS 46 2HG LYS 46 -2.306 2.402 -0.480 390 HD2 LYS 46 1HD LYS 46 -4.304 3.424 0.474 391 HD3 LYS 46 2HD LYS 46 -4.647 1.942 1.399 392 HE2 LYS 46 1HE LYS 46 -2.490 2.222 2.589 393 HE3 LYS 46 2HE LYS 46 -2.229 3.746 1.711 394 HZ1 LYS 46 3HZ LYS 46 -4.466 3.189 3.550 395 HZ2 LYS 46 1HZ LYS 46 -3.152 4.125 3.896 396 HZ3 LYS 46 2HZ LYS 46 -4.224 4.604 2.737 397 H ASP 47 H ASP 47 -4.475 0.989 -4.215 398 HA ASP 47 HA ASP 47 -6.421 -1.139 -4.335 399 HB2 ASP 47 1HB ASP 47 -5.419 0.804 -6.504 400 HB3 ASP 47 2HB ASP 47 -6.638 -0.489 -6.630 401 H GLU 48 H GLU 48 -3.184 -0.739 -5.700 402 HA GLU 48 HA GLU 48 -3.260 -3.243 -7.182 403 HB2 GLU 48 1HB GLU 48 -1.010 -1.506 -6.163 404 HB3 GLU 48 2HB GLU 48 -0.770 -2.984 -7.127 405 HG2 GLU 48 1HG GLU 48 -2.196 -0.428 -8.085 406 HG3 GLU 48 2HG GLU 48 -0.585 -1.065 -8.487 407 H ILE 49 H ILE 49 -2.206 -2.296 -3.933 408 HA ILE 49 HA ILE 49 -1.093 -4.858 -3.211 409 HB ILE 49 HB ILE 49 -2.323 -2.619 -1.544 410 HG12 ILE 49 1HG1 ILE 49 0.550 -3.451 -1.777 411 HG13 ILE 49 2HG1 ILE 49 -0.206 -2.240 -2.838 412 HG21 ILE 49 1HG2 ILE 49 -1.317 -3.751 0.410 413 HG22 ILE 49 2HG2 ILE 49 -2.540 -4.781 -0.367 414 HG23 ILE 49 3HG2 ILE 49 -0.810 -5.101 -0.632 415 HD11 ILE 49 3HD1 ILE 49 0.006 -2.067 0.188 416 HD12 ILE 49 1HD1 ILE 49 0.998 -1.163 -0.979 417 HD13 ILE 49 2HD1 ILE 49 -0.752 -0.856 -0.874 418 H LYS 50 H LYS 50 -4.383 -3.577 -3.017 419 HA LYS 50 HA LYS 50 -5.631 -5.712 -1.678 420 HB2 LYS 50 1HB LYS 50 -6.752 -3.662 -2.421 421 HB3 LYS 50 2HB LYS 50 -6.612 -4.208 -4.109 422 HG2 LYS 50 1HG LYS 50 -8.065 -6.116 -3.643 423 HG3 LYS 50 2HG LYS 50 -8.161 -5.644 -1.930 424 HD2 LYS 50 1HD LYS 50 -9.248 -3.536 -2.556 425 HD3 LYS 50 2HD LYS 50 -9.121 -3.972 -4.276 426 HE2 LYS 50 1HE LYS 50 -10.544 -5.935 -3.889 427 HE3 LYS 50 2HE LYS 50 -10.666 -5.511 -2.166 428 HZ1 LYS 50 3HZ LYS 50 -11.640 -3.862 -4.410 429 HZ2 LYS 50 1HZ LYS 50 -12.583 -4.766 -3.401 430 HZ3 LYS 50 2HZ LYS 50 -11.753 -3.469 -2.812 431 H THR 51 H THR 51 -4.742 -5.506 -5.122 432 HA THR 51 HA THR 51 -5.640 -8.207 -5.709 433 HB THR 51 HB THR 51 -3.638 -6.422 -7.156 434 HG1 THR 51 1HG THR 51 -5.480 -6.078 -8.535 435 HG21 THR 51 3HG2 THR 51 -5.087 -8.942 -8.062 436 HG22 THR 51 1HG2 THR 51 -4.043 -7.919 -9.079 437 HG23 THR 51 2HG2 THR 51 -3.348 -8.814 -7.706 438 H PHE 52 H PHE 52 -2.592 -6.782 -4.640 439 HA PHE 52 HA PHE 52 -0.932 -9.045 -5.199 440 HB2 PHE 52 1HB PHE 52 -0.677 -6.863 -3.085 441 HB3 PHE 52 2HB PHE 52 0.600 -8.030 -3.496 442 HD1 PHE 52 1HD PHE 52 -0.664 -7.697 -6.545 443 HD2 PHE 52 2HD PHE 52 1.221 -5.254 -3.589 444 HE1 PHE 52 1HE PHE 52 0.152 -6.183 -8.320 445 HE2 PHE 52 2HE PHE 52 2.038 -3.736 -5.362 446 HZ PHE 52 HZ PHE 52 1.503 -4.203 -7.729 447 H THR 53 H THR 53 -3.055 -8.304 -2.493 448 HA THR 53 HA THR 53 -2.025 -10.501 -0.850 449 HB THR 53 HB THR 53 -3.942 -9.997 0.623 450 HG1 THR 53 1HG THR 53 -5.342 -8.253 -0.019 451 HG21 THR 53 3HG2 THR 53 -2.541 -7.493 -0.394 452 HG22 THR 53 1HG2 THR 53 -3.352 -7.663 1.180 453 HG23 THR 53 2HG2 THR 53 -1.897 -8.624 0.819 454 H VAL 54 H VAL 54 -4.297 -10.191 -3.416 455 HA VAL 54 HA VAL 54 -5.636 -12.769 -2.815 456 HB VAL 54 HB VAL 54 -5.673 -10.971 -5.274 457 HG11 VAL 54 1HG1 VAL 54 -7.580 -12.371 -5.992 458 HG12 VAL 54 2HG1 VAL 54 -6.095 -13.339 -5.841 459 HG13 VAL 54 3HG1 VAL 54 -7.343 -13.419 -4.574 460 HG21 VAL 54 3HG2 VAL 54 -6.713 -9.929 -3.349 461 HG22 VAL 54 1HG2 VAL 54 -7.937 -10.399 -4.552 462 HG23 VAL 54 2HG2 VAL 54 -7.712 -11.378 -3.082 463 H THR 55 H THR 55 -3.177 -11.572 -5.081 464 HA THR 55 HA THR 55 -2.793 -14.172 -6.307 465 HB THR 55 HB THR 55 -0.952 -11.746 -6.198 466 HG1 THR 55 1HG THR 55 -1.820 -11.434 -8.334 467 HG21 THR 55 3HG2 THR 55 -0.922 -14.201 -7.998 468 HG22 THR 55 1HG2 THR 55 0.149 -12.787 -8.148 469 HG23 THR 55 2HG2 THR 55 0.256 -13.839 -6.716 470 H GLU 56 H GLU 56 -1.186 -12.429 -3.668 471 HA GLU 56 HA GLU 56 0.238 -14.988 -3.014 472 HB2 GLU 56 1HB GLU 56 1.226 -12.144 -2.760 473 HB3 GLU 56 2HB GLU 56 2.047 -13.579 -2.100 474 HG2 GLU 56 1HG GLU 56 1.562 -13.086 -5.100 475 HG3 GLU 56 2HG GLU 56 3.026 -12.763 -4.145 Start of MODEL 7 1 H1 THR 1 1H THR 1 -9.672 5.395 3.590 2 H2 THR 1 2H THR 1 -9.712 6.470 2.544 3 H3 THR 1 3H THR 1 -8.404 6.073 3.162 4 HA THR 1 HA THR 1 -10.055 8.184 4.090 5 HB THR 1 HB THR 1 -9.752 5.933 6.121 6 HG1 THR 1 1HG THR 1 -12.074 5.944 5.986 7 HG21 THR 1 3HG2 THR 1 -11.065 8.672 6.316 8 HG22 THR 1 1HG2 THR 1 -11.072 7.423 7.582 9 HG23 THR 1 2HG2 THR 1 -9.541 8.193 7.099 10 H THR 2 H THR 2 -7.398 5.994 4.941 11 HA THR 2 HA THR 2 -5.987 7.749 6.671 12 HB THR 2 HB THR 2 -4.870 5.695 4.715 13 HG1 THR 2 1HG THR 2 -5.547 5.518 7.491 14 HG21 THR 2 3HG2 THR 2 -3.635 6.984 7.180 15 HG22 THR 2 1HG2 THR 2 -2.904 5.684 6.209 16 HG23 THR 2 2HG2 THR 2 -3.158 7.296 5.495 17 H TYR 3 H TYR 3 -5.748 7.403 3.130 18 HA TYR 3 HA TYR 3 -3.679 9.427 2.903 19 HB2 TYR 3 1HB TYR 3 -3.874 9.160 0.600 20 HB3 TYR 3 2HB TYR 3 -4.198 7.548 1.284 21 HD1 TYR 3 2HD TYR 3 -6.598 6.765 1.451 22 HD2 TYR 3 1HD TYR 3 -5.493 10.242 -0.757 23 HE1 TYR 3 2HE TYR 3 -8.756 6.674 0.250 24 HE2 TYR 3 1HE TYR 3 -7.651 10.166 -1.973 25 HH TYR 3 HH TYR 3 -10.084 7.636 -1.333 26 H LYS 4 H LYS 4 -7.108 9.540 3.229 27 HA LYS 4 HA LYS 4 -7.355 12.267 2.165 28 HB2 LYS 4 1HB LYS 4 -9.182 10.519 3.818 29 HB3 LYS 4 2HB LYS 4 -9.596 12.151 3.242 30 HG2 LYS 4 1HG LYS 4 -9.313 11.365 0.902 31 HG3 LYS 4 2HG LYS 4 -8.994 9.726 1.518 32 HD2 LYS 4 1HD LYS 4 -11.224 9.666 2.545 33 HD3 LYS 4 2HD LYS 4 -11.544 11.317 1.961 34 HE2 LYS 4 1HE LYS 4 -11.234 10.505 -0.370 35 HE3 LYS 4 2HE LYS 4 -11.046 8.854 0.263 36 HZ1 LYS 4 3HZ LYS 4 -13.446 10.542 0.565 37 HZ2 LYS 4 1HZ LYS 4 -13.293 9.272 -0.476 38 HZ3 LYS 4 2HZ LYS 4 -13.273 9.011 1.153 39 H LEU 5 H LEU 5 -6.713 10.756 5.257 40 HA LEU 5 HA LEU 5 -7.101 13.335 6.673 41 HB2 LEU 5 1HB LEU 5 -6.304 10.618 7.490 42 HB3 LEU 5 2HB LEU 5 -6.517 11.890 8.716 43 HG LEU 5 HG LEU 5 -8.667 10.692 6.926 44 HD11 LEU 5 1HD1 LEU 5 -9.646 9.911 9.100 45 HD12 LEU 5 2HD1 LEU 5 -8.010 9.256 8.855 46 HD13 LEU 5 3HD1 LEU 5 -8.263 10.627 9.961 47 HD21 LEU 5 3HD2 LEU 5 -9.041 13.069 7.228 48 HD22 LEU 5 1HD2 LEU 5 -10.246 12.141 8.152 49 HD23 LEU 5 2HD2 LEU 5 -8.871 12.901 8.991 50 H ILE 6 H ILE 6 -4.575 11.393 5.322 51 HA ILE 6 HA ILE 6 -2.545 13.220 6.589 52 HB ILE 6 HB ILE 6 -2.193 10.400 5.467 53 HG12 ILE 6 1HG1 ILE 6 -2.000 11.390 8.300 54 HG13 ILE 6 2HG1 ILE 6 -3.372 10.497 7.604 55 HG21 ILE 6 1HG2 ILE 6 0.120 10.609 6.311 56 HG22 ILE 6 2HG2 ILE 6 -0.227 11.848 5.084 57 HG23 ILE 6 3HG2 ILE 6 -0.212 12.285 6.808 58 HD11 ILE 6 3HD1 ILE 6 -0.525 9.466 7.869 59 HD12 ILE 6 1HD1 ILE 6 -1.899 9.004 8.899 60 HD13 ILE 6 2HD1 ILE 6 -1.897 8.570 7.172 61 H LEU 7 H LEU 7 -1.966 14.785 5.376 62 HA LEU 7 HA LEU 7 -1.926 14.409 2.428 63 HB2 LEU 7 1HB LEU 7 -1.451 16.694 4.229 64 HB3 LEU 7 2HB LEU 7 -1.424 16.926 2.467 65 HG LEU 7 HG LEU 7 -3.813 16.130 4.175 66 HD11 LEU 7 1HD1 LEU 7 -4.755 18.313 3.373 67 HD12 LEU 7 2HD1 LEU 7 -3.235 18.554 4.267 68 HD13 LEU 7 3HD1 LEU 7 -3.242 18.622 2.488 69 HD21 LEU 7 3HD2 LEU 7 -3.858 14.952 2.057 70 HD22 LEU 7 1HD2 LEU 7 -5.116 16.211 2.078 71 HD23 LEU 7 2HD2 LEU 7 -3.607 16.475 1.171 72 H ASN 8 H ASN 8 0.183 14.245 5.094 73 HA ASN 8 HA ASN 8 2.616 14.915 3.604 74 HB2 ASN 8 1HB ASN 8 2.396 14.961 6.314 75 HB3 ASN 8 2HB ASN 8 2.318 13.236 5.883 76 HD21 ASN 8 2HD2 ASN 8 4.237 14.844 7.491 77 HD22 ASN 8 1HD2 ASN 8 5.793 14.496 6.812 78 H LEU 9 H LEU 9 3.357 13.774 2.013 79 HA LEU 9 HA LEU 9 2.457 11.181 1.318 80 HB2 LEU 9 1HB LEU 9 3.406 12.610 -0.181 81 HB3 LEU 9 2HB LEU 9 5.019 12.685 0.566 82 HG LEU 9 HG LEU 9 5.234 10.206 0.115 83 HD11 LEU 9 1HD1 LEU 9 3.728 9.256 -1.652 84 HD12 LEU 9 2HD1 LEU 9 2.807 9.733 -0.207 85 HD13 LEU 9 3HD1 LEU 9 2.797 10.772 -1.652 86 HD21 LEU 9 3HD2 LEU 9 6.363 11.852 -1.262 87 HD22 LEU 9 1HD2 LEU 9 5.803 10.497 -2.271 88 HD23 LEU 9 2HD2 LEU 9 4.913 12.040 -2.277 89 H LYS 10 H LYS 10 5.178 12.166 3.344 90 HA LYS 10 HA LYS 10 6.479 9.585 3.284 91 HB2 LYS 10 1HB LYS 10 6.658 11.931 5.176 92 HB3 LYS 10 2HB LYS 10 7.678 10.476 5.294 93 HG2 LYS 10 1HG LYS 10 8.590 10.933 3.053 94 HG3 LYS 10 2HG LYS 10 7.572 12.388 2.935 95 HD2 LYS 10 1HD LYS 10 8.713 13.358 4.883 96 HD3 LYS 10 2HD LYS 10 9.724 11.899 5.022 97 HE2 LYS 10 1HE LYS 10 10.659 12.327 2.794 98 HE3 LYS 10 2HE LYS 10 9.641 13.776 2.640 99 HZ1 LYS 10 3HZ LYS 10 11.748 13.367 4.665 100 HZ2 LYS 10 1HZ LYS 10 11.875 14.326 3.328 101 HZ3 LYS 10 2HZ LYS 10 10.804 14.713 4.522 102 H GLN 11 H GLN 11 3.935 10.967 5.247 103 HA GLN 11 HA GLN 11 4.017 8.657 7.103 104 HB2 GLN 11 1HB GLN 11 2.213 11.076 6.890 105 HB3 GLN 11 2HB GLN 11 2.041 9.793 8.111 106 HG2 GLN 11 1HG GLN 11 4.485 10.548 8.997 107 HG3 GLN 11 2HG GLN 11 4.236 11.595 7.582 108 HE21 GLN 11 2HE2 GLN 11 4.833 12.528 10.190 109 HE22 GLN 11 1HE2 GLN 11 3.470 13.429 10.766 110 H ALA 12 H ALA 12 2.108 9.906 4.419 111 HA ALA 12 HA ALA 12 -0.081 8.060 4.794 112 HB1 ALA 12 1HB ALA 12 -0.761 8.767 2.534 113 HB2 ALA 12 2HB ALA 12 -0.354 10.163 3.561 114 HB3 ALA 12 3HB ALA 12 0.798 9.599 2.327 115 H LYS 13 H LYS 13 2.954 7.954 3.006 116 HA LYS 13 HA LYS 13 2.262 5.746 1.299 117 HB2 LYS 13 1HB LYS 13 4.559 5.609 0.792 118 HB3 LYS 13 2HB LYS 13 4.153 7.333 0.969 119 HG2 LYS 13 1HG LYS 13 5.124 7.322 3.238 120 HG3 LYS 13 2HG LYS 13 5.553 5.606 3.039 121 HD2 LYS 13 1HD LYS 13 6.949 6.230 1.068 122 HD3 LYS 13 2HD LYS 13 6.589 7.941 1.398 123 HE2 LYS 13 1HE LYS 13 7.615 7.734 3.619 124 HE3 LYS 13 2HE LYS 13 7.971 6.021 3.297 125 HZ1 LYS 13 3HZ LYS 13 9.055 8.310 1.785 126 HZ2 LYS 13 1HZ LYS 13 9.883 7.417 2.897 127 HZ3 LYS 13 2HZ LYS 13 9.385 6.722 1.486 128 H GLU 14 H GLU 14 3.052 5.913 4.643 129 HA GLU 14 HA GLU 14 4.127 3.259 4.964 130 HB2 GLU 14 1HB GLU 14 2.637 5.093 6.844 131 HB3 GLU 14 2HB GLU 14 3.362 3.540 7.325 132 HG2 GLU 14 1HG GLU 14 5.647 4.444 6.723 133 HG3 GLU 14 2HG GLU 14 4.787 5.895 6.159 134 H GLU 15 H GLU 15 0.904 4.459 4.489 135 HA GLU 15 HA GLU 15 -0.523 2.190 5.540 136 HB2 GLU 15 1HB GLU 15 -1.583 4.327 5.049 137 HB3 GLU 15 2HB GLU 15 -1.224 4.117 3.319 138 HG2 GLU 15 1HG GLU 15 -3.589 3.489 3.625 139 HG3 GLU 15 2HG GLU 15 -2.558 2.064 3.365 140 H ALA 16 H ALA 16 0.479 2.978 2.199 141 HA ALA 16 HA ALA 16 -0.340 0.412 1.172 142 HB1 ALA 16 1HB ALA 16 0.946 1.059 -0.829 143 HB2 ALA 16 2HB ALA 16 -0.109 2.381 -0.274 144 HB3 ALA 16 3HB ALA 16 1.637 2.436 0.062 145 H ILE 17 H ILE 17 2.711 1.696 2.429 146 HA ILE 17 HA ILE 17 4.349 -0.574 1.743 147 HB ILE 17 HB ILE 17 4.536 1.496 3.972 148 HG12 ILE 17 1HG1 ILE 17 6.217 1.134 1.510 149 HG13 ILE 17 2HG1 ILE 17 4.800 2.206 1.610 150 HG21 ILE 17 1HG2 ILE 17 6.832 0.659 4.345 151 HG22 ILE 17 2HG2 ILE 17 5.627 -0.604 4.688 152 HG23 ILE 17 3HG2 ILE 17 6.549 -0.644 3.167 153 HD11 ILE 17 3HD1 ILE 17 7.314 2.417 3.305 154 HD12 ILE 17 1HD1 ILE 17 6.894 3.465 1.932 155 HD13 ILE 17 2HD1 ILE 17 5.897 3.488 3.406 156 H LYS 18 H LYS 18 2.335 0.092 4.577 157 HA LYS 18 HA LYS 18 2.951 -2.199 6.098 158 HB2 LYS 18 1HB LYS 18 1.453 -0.420 6.833 159 HB3 LYS 18 2HB LYS 18 0.258 -0.915 5.610 160 HG2 LYS 18 1HG LYS 18 0.007 -3.092 6.734 161 HG3 LYS 18 2HG LYS 18 1.200 -2.596 7.959 162 HD2 LYS 18 1HD LYS 18 -0.255 -0.780 8.688 163 HD3 LYS 18 2HD LYS 18 -1.428 -1.176 7.410 164 HE2 LYS 18 1HE LYS 18 -1.752 -3.407 8.421 165 HE3 LYS 18 2HE LYS 18 -0.619 -2.969 9.720 166 HZ1 LYS 18 3HZ LYS 18 -3.177 -1.615 9.147 167 HZ2 LYS 18 1HZ LYS 18 -2.904 -2.662 10.392 168 HZ3 LYS 18 2HZ LYS 18 -2.126 -1.208 10.352 169 H GLU 19 H GLU 19 0.741 -1.909 3.326 170 HA GLU 19 HA GLU 19 -0.052 -4.721 3.505 171 HB2 GLU 19 1HB GLU 19 -0.411 -2.626 1.356 172 HB3 GLU 19 2HB GLU 19 -1.110 -4.264 1.313 173 HG2 GLU 19 1HG GLU 19 -1.819 -2.049 3.330 174 HG3 GLU 19 2HG GLU 19 -2.746 -2.707 1.962 175 H LEU 20 H LEU 20 2.336 -2.856 1.717 176 HA LEU 20 HA LEU 20 3.094 -4.962 -0.097 177 HB2 LEU 20 1HB LEU 20 4.452 -2.645 1.100 178 HB3 LEU 20 2HB LEU 20 5.318 -3.584 -0.136 179 HG LEU 20 HG LEU 20 2.671 -2.150 -0.568 180 HD11 LEU 20 1HD1 LEU 20 4.017 -0.529 -1.929 181 HD12 LEU 20 2HD1 LEU 20 4.544 -0.540 -0.229 182 HD13 LEU 20 3HD1 LEU 20 5.500 -1.393 -1.464 183 HD21 LEU 20 3HD2 LEU 20 2.956 -4.093 -1.991 184 HD22 LEU 20 1HD2 LEU 20 3.094 -2.606 -2.959 185 HD23 LEU 20 2HD2 LEU 20 4.557 -3.515 -2.508 186 H VAL 21 H VAL 21 4.094 -4.138 3.192 187 HA VAL 21 HA VAL 21 6.158 -6.240 3.273 188 HB VAL 21 HB VAL 21 4.838 -4.566 5.450 189 HG11 VAL 21 1HG1 VAL 21 6.643 -5.418 6.911 190 HG12 VAL 21 2HG1 VAL 21 5.612 -6.743 6.327 191 HG13 VAL 21 3HG1 VAL 21 7.211 -6.472 5.594 192 HG21 VAL 21 3HG2 VAL 21 6.206 -3.258 3.936 193 HG22 VAL 21 1HG2 VAL 21 6.986 -3.402 5.528 194 HG23 VAL 21 2HG2 VAL 21 7.566 -4.385 4.163 195 H ASP 22 H ASP 22 2.827 -5.900 4.447 196 HA ASP 22 HA ASP 22 2.760 -8.431 5.799 197 HB2 ASP 22 1HB ASP 22 0.494 -6.735 4.592 198 HB3 ASP 22 2HB ASP 22 0.389 -8.301 5.433 199 H ALA 23 H ALA 23 1.999 -7.512 2.453 200 HA ALA 23 HA ALA 23 1.324 -10.235 1.694 201 HB1 ALA 23 1HB ALA 23 1.420 -9.361 -0.609 202 HB2 ALA 23 2HB ALA 23 0.449 -8.310 0.449 203 HB3 ALA 23 3HB ALA 23 2.104 -7.836 0.001 204 H GLY 24 H GLY 24 4.258 -8.324 1.851 205 HA2 GLY 24 1HA GLY 24 6.438 -9.162 1.977 206 HA3 GLY 24 2HA GLY 24 5.820 -10.787 1.607 207 H ILE 25 H ILE 25 5.422 -7.746 -0.211 208 HA ILE 25 HA ILE 25 6.719 -9.091 -2.569 209 HB ILE 25 HB ILE 25 4.746 -6.761 -2.538 210 HG12 ILE 25 1HG1 ILE 25 3.640 -8.717 -1.747 211 HG13 ILE 25 2HG1 ILE 25 3.100 -8.306 -3.391 212 HG21 ILE 25 1HG2 ILE 25 4.614 -7.207 -4.966 213 HG22 ILE 25 2HG2 ILE 25 6.277 -6.810 -4.478 214 HG23 ILE 25 3HG2 ILE 25 5.823 -8.500 -4.795 215 HD11 ILE 25 3HD1 ILE 25 5.078 -10.495 -2.664 216 HD12 ILE 25 1HD1 ILE 25 3.379 -10.740 -3.129 217 HD13 ILE 25 2HD1 ILE 25 4.538 -10.084 -4.309 218 H ALA 26 H ALA 26 8.797 -8.628 -2.314 219 HA ALA 26 HA ALA 26 9.710 -6.057 -1.396 220 HB1 ALA 26 1HB ALA 26 11.944 -6.873 -2.043 221 HB2 ALA 26 2HB ALA 26 11.046 -8.096 -1.115 222 HB3 ALA 26 3HB ALA 26 11.195 -8.252 -2.881 223 H GLU 27 H GLU 27 9.246 -7.480 -4.602 224 HA GLU 27 HA GLU 27 10.638 -5.604 -6.175 225 HB2 GLU 27 1HB GLU 27 9.601 -7.638 -7.039 226 HB3 GLU 27 2HB GLU 27 7.989 -6.948 -6.738 227 HG2 GLU 27 1HG GLU 27 8.490 -5.142 -8.460 228 HG3 GLU 27 2HG GLU 27 10.083 -5.919 -8.606 229 H LYS 28 H LYS 28 7.272 -5.405 -5.008 230 HA LYS 28 HA LYS 28 6.985 -2.716 -6.181 231 HB2 LYS 28 1HB LYS 28 5.154 -4.289 -4.362 232 HB3 LYS 28 2HB LYS 28 4.752 -2.792 -5.233 233 HG2 LYS 28 1HG LYS 28 5.420 -5.476 -6.489 234 HG3 LYS 28 2HG LYS 28 3.799 -4.755 -6.360 235 HD2 LYS 28 1HD LYS 28 4.491 -2.878 -7.765 236 HD3 LYS 28 2HD LYS 28 6.145 -3.530 -7.849 237 HE2 LYS 28 1HE LYS 28 5.266 -5.565 -8.947 238 HE3 LYS 28 2HE LYS 28 3.633 -4.862 -8.907 239 HZ1 LYS 28 3HZ LYS 28 5.952 -3.729 -10.335 240 HZ2 LYS 28 1HZ LYS 28 4.693 -4.531 -11.036 241 HZ3 LYS 28 2HZ LYS 28 4.438 -3.077 -10.299 242 H TYR 29 H TYR 29 7.764 -4.133 -3.089 243 HA TYR 29 HA TYR 29 7.341 -1.882 -1.407 244 HB2 TYR 29 1HB TYR 29 7.972 -4.101 -0.600 245 HB3 TYR 29 2HB TYR 29 9.570 -3.925 -1.366 246 HD1 TYR 29 1HD TYR 29 7.397 -2.745 1.388 247 HD2 TYR 29 2HD TYR 29 11.292 -2.584 -0.341 248 HE1 TYR 29 1HE TYR 29 8.257 -1.664 3.445 249 HE2 TYR 29 2HE TYR 29 12.166 -1.505 1.704 250 HH TYR 29 HH TYR 29 11.681 -0.727 3.789 251 H PHE 30 H PHE 30 9.983 -2.610 -3.644 252 HA PHE 30 HA PHE 30 11.382 -0.123 -2.786 253 HB2 PHE 30 1HB PHE 30 12.205 -2.452 -4.569 254 HB3 PHE 30 2HB PHE 30 13.195 -0.995 -4.319 255 HD1 PHE 30 2HD PHE 30 13.706 -0.399 -1.839 256 HD2 PHE 30 1HD PHE 30 12.515 -4.261 -3.220 257 HE1 PHE 30 2HE PHE 30 14.718 -1.426 0.169 258 HE2 PHE 30 1HE PHE 30 13.523 -5.293 -1.211 259 HZ PHE 30 HZ PHE 30 14.623 -3.875 0.483 260 H LYS 31 H LYS 31 9.503 -1.435 -5.417 261 HA LYS 31 HA LYS 31 10.402 0.774 -7.214 262 HB2 LYS 31 1HB LYS 31 8.804 -1.740 -7.718 263 HB3 LYS 31 2HB LYS 31 9.177 -0.504 -8.943 264 HG2 LYS 31 1HG LYS 31 11.613 -0.941 -8.548 265 HG3 LYS 31 2HG LYS 31 11.151 -2.281 -7.472 266 HD2 LYS 31 1HD LYS 31 9.931 -3.340 -9.355 267 HD3 LYS 31 2HD LYS 31 10.477 -2.024 -10.422 268 HE2 LYS 31 1HE LYS 31 12.810 -2.643 -10.015 269 HE3 LYS 31 2HE LYS 31 12.287 -3.936 -8.912 270 HZ1 LYS 31 3HZ LYS 31 11.673 -3.788 -11.794 271 HZ2 LYS 31 1HZ LYS 31 12.790 -4.784 -11.103 272 HZ3 LYS 31 2HZ LYS 31 11.186 -4.987 -10.772 273 H LEU 32 H LEU 32 7.345 -0.786 -6.173 274 HA LEU 32 HA LEU 32 5.724 1.008 -7.694 275 HB2 LEU 32 1HB LEU 32 5.065 -1.097 -6.999 276 HB3 LEU 32 2HB LEU 32 5.031 -0.725 -5.260 277 HG LEU 32 HG LEU 32 3.273 1.023 -5.776 278 HD11 LEU 32 1HD1 LEU 32 2.024 0.740 -7.935 279 HD12 LEU 32 2HD1 LEU 32 3.718 1.200 -8.225 280 HD13 LEU 32 3HD1 LEU 32 3.204 -0.492 -8.437 281 HD21 LEU 32 3HD2 LEU 32 2.697 -1.108 -4.777 282 HD22 LEU 32 1HD2 LEU 32 1.429 -0.613 -5.923 283 HD23 LEU 32 2HD2 LEU 32 2.604 -1.868 -6.384 284 H ILE 33 H ILE 33 6.322 0.960 -4.166 285 HA ILE 33 HA ILE 33 4.745 3.365 -3.744 286 HB ILE 33 HB ILE 33 5.283 1.537 -2.000 287 HG12 ILE 33 1HG1 ILE 33 5.370 3.130 -0.159 288 HG13 ILE 33 2HG1 ILE 33 5.753 4.426 -1.314 289 HG21 ILE 33 1HG2 ILE 33 7.367 1.887 -0.719 290 HG22 ILE 33 2HG2 ILE 33 7.720 1.453 -2.408 291 HG23 ILE 33 3HG2 ILE 33 7.866 3.144 -1.875 292 HD11 ILE 33 3HD1 ILE 33 3.203 2.776 -1.276 293 HD12 ILE 33 1HD1 ILE 33 3.366 4.453 -0.708 294 HD13 ILE 33 2HD1 ILE 33 3.587 4.072 -2.433 295 H ALA 34 H ALA 34 8.000 2.820 -4.718 296 HA ALA 34 HA ALA 34 9.073 5.340 -3.864 297 HB1 ALA 34 1HB ALA 34 10.822 4.916 -5.547 298 HB2 ALA 34 2HB ALA 34 10.501 3.471 -4.558 299 HB3 ALA 34 3HB ALA 34 9.854 3.581 -6.212 300 H ASN 35 H ASN 35 6.938 4.438 -6.438 301 HA ASN 35 HA ASN 35 7.379 7.040 -7.828 302 HB2 ASN 35 1HB ASN 35 5.650 4.652 -8.827 303 HB3 ASN 35 2HB ASN 35 5.936 6.335 -9.329 304 HD21 ASN 35 2HD2 ASN 35 6.542 3.564 -10.453 305 HD22 ASN 35 1HD2 ASN 35 8.206 3.668 -10.925 306 H ALA 36 H ALA 36 5.855 6.285 -5.165 307 HA ALA 36 HA ALA 36 3.170 7.252 -5.725 308 HB1 ALA 36 1HB ALA 36 2.923 7.270 -3.273 309 HB2 ALA 36 2HB ALA 36 3.607 5.732 -3.850 310 HB3 ALA 36 3HB ALA 36 4.664 6.950 -3.098 311 H LYS 37 H LYS 37 3.573 9.181 -6.871 312 HA LYS 37 HA LYS 37 5.086 11.362 -5.710 313 HB2 LYS 37 1HB LYS 37 2.991 11.238 -7.882 314 HB3 LYS 37 2HB LYS 37 3.869 12.718 -7.426 315 HG2 LYS 37 1HG LYS 37 5.998 11.653 -8.042 316 HG3 LYS 37 2HG LYS 37 5.128 10.165 -8.485 317 HD2 LYS 37 1HD LYS 37 3.886 11.410 -10.214 318 HD3 LYS 37 2HD LYS 37 4.768 12.891 -9.776 319 HE2 LYS 37 1HE LYS 37 6.886 11.831 -10.400 320 HE3 LYS 37 2HE LYS 37 6.025 10.328 -10.803 321 HZ1 LYS 37 3HZ LYS 37 5.658 12.927 -12.149 322 HZ2 LYS 37 1HZ LYS 37 6.488 11.640 -12.761 323 HZ3 LYS 37 2HZ LYS 37 4.859 11.534 -12.523 324 H THR 38 H THR 38 1.741 10.323 -5.498 325 HA THR 38 HA THR 38 1.282 12.550 -3.544 326 HB THR 38 HB THR 38 -0.998 12.809 -4.330 327 HG1 THR 38 1HG THR 38 -1.688 11.593 -6.189 328 HG21 THR 38 3HG2 THR 38 0.929 12.808 -6.686 329 HG22 THR 38 1HG2 THR 38 -0.611 13.695 -6.602 330 HG23 THR 38 2HG2 THR 38 0.725 14.128 -5.511 331 H VAL 39 H VAL 39 -0.613 12.149 -2.133 332 HA VAL 39 HA VAL 39 -0.455 9.466 -0.952 333 HB VAL 39 HB VAL 39 -2.075 10.280 0.646 334 HG11 VAL 39 1HG1 VAL 39 -0.966 12.330 1.468 335 HG12 VAL 39 2HG1 VAL 39 0.229 11.131 0.921 336 HG13 VAL 39 3HG1 VAL 39 -0.165 12.529 -0.109 337 HG21 VAL 39 3HG2 VAL 39 -3.627 11.321 -0.896 338 HG22 VAL 39 1HG2 VAL 39 -3.196 12.439 0.418 339 HG23 VAL 39 2HG2 VAL 39 -2.473 12.642 -1.196 340 H GLU 40 H GLU 40 -2.458 10.992 -3.335 341 HA GLU 40 HA GLU 40 -4.496 8.905 -3.297 342 HB2 GLU 40 1HB GLU 40 -3.624 10.904 -5.385 343 HB3 GLU 40 2HB GLU 40 -4.979 9.767 -5.591 344 HG2 GLU 40 1HG GLU 40 -6.163 10.872 -3.643 345 HG3 GLU 40 2HG GLU 40 -4.699 11.869 -3.484 346 H GLY 41 H GLY 41 -1.429 9.397 -5.002 347 HA2 GLY 41 1HA GLY 41 -1.509 7.014 -6.564 348 HA3 GLY 41 2HA GLY 41 -0.040 7.829 -5.977 349 H VAL 42 H VAL 42 -0.402 7.632 -3.224 350 HA VAL 42 HA VAL 42 0.377 4.947 -2.564 351 HB VAL 42 HB VAL 42 -0.831 7.154 -0.848 352 HG11 VAL 42 1HG1 VAL 42 0.003 5.841 1.075 353 HG12 VAL 42 2HG1 VAL 42 -1.217 4.929 0.156 354 HG13 VAL 42 3HG1 VAL 42 0.511 4.544 -0.033 355 HG21 VAL 42 3HG2 VAL 42 1.308 7.747 -1.819 356 HG22 VAL 42 1HG2 VAL 42 1.462 7.472 -0.068 357 HG23 VAL 42 2HG2 VAL 42 2.022 6.232 -1.215 358 H TRP 43 H TRP 43 -2.801 6.532 -2.330 359 HA TRP 43 HA TRP 43 -4.201 4.293 -1.269 360 HB2 TRP 43 1HB TRP 43 -5.271 6.475 -1.360 361 HB3 TRP 43 2HB TRP 43 -5.132 6.517 -3.134 362 HD1 TRP 43 HD TRP 43 -7.099 5.883 -4.322 363 HE1 TRP 43 1HE TRP 43 -9.386 4.522 -3.843 364 HE3 TRP 43 3HE TRP 43 -6.019 4.273 0.375 365 HZ2 TRP 43 2HZ TRP 43 -10.389 3.048 -1.732 366 HZ3 TRP 43 3HZ TRP 43 -7.612 2.920 1.592 367 HH2 TRP 43 HH TRP 43 -9.773 2.282 0.611 368 H THR 44 H THR 44 -3.617 5.208 -4.667 369 HA THR 44 HA THR 44 -4.967 2.971 -5.825 370 HB THR 44 HB THR 44 -2.560 4.531 -6.854 371 HG1 THR 44 1HG THR 44 -4.229 5.611 -8.063 372 HG21 THR 44 3HG2 THR 44 -4.518 2.705 -8.303 373 HG22 THR 44 1HG2 THR 44 -3.236 3.673 -9.069 374 HG23 THR 44 2HG2 THR 44 -2.810 2.340 -7.970 375 H TYR 45 H TYR 45 -1.672 3.332 -4.591 376 HA TYR 45 HA TYR 45 -0.781 0.775 -5.665 377 HB2 TYR 45 1HB TYR 45 0.343 2.579 -3.513 378 HB3 TYR 45 2HB TYR 45 1.152 1.130 -4.161 379 HD1 TYR 45 1HD TYR 45 -0.371 2.194 -6.963 380 HD2 TYR 45 2HD TYR 45 2.663 3.564 -4.296 381 HE1 TYR 45 1HE TYR 45 0.607 3.555 -8.786 382 HE2 TYR 45 2HE TYR 45 3.651 4.927 -6.106 383 HH TYR 45 HH TYR 45 3.428 5.664 -8.257 384 H LYS 46 H LYS 46 -2.235 1.843 -2.642 385 HA LYS 46 HA LYS 46 -2.029 -0.672 -1.265 386 HB2 LYS 46 1HB LYS 46 -2.725 1.383 -0.173 387 HB3 LYS 46 2HB LYS 46 -4.173 1.458 -1.205 388 HG2 LYS 46 1HG LYS 46 -5.010 -0.620 -0.194 389 HG3 LYS 46 2HG LYS 46 -3.556 -0.714 0.828 390 HD2 LYS 46 1HD LYS 46 -4.152 1.371 1.936 391 HD3 LYS 46 2HD LYS 46 -5.553 1.573 0.856 392 HE2 LYS 46 1HE LYS 46 -6.606 -0.406 1.761 393 HE3 LYS 46 2HE LYS 46 -5.166 -0.770 2.740 394 HZ1 LYS 46 3HZ LYS 46 -6.899 1.597 3.056 395 HZ2 LYS 46 1HZ LYS 46 -6.887 0.277 4.046 396 HZ3 LYS 46 2HZ LYS 46 -5.563 1.258 3.964 397 H ASP 47 H ASP 47 -4.461 0.597 -3.535 398 HA ASP 47 HA ASP 47 -6.080 -1.794 -3.521 399 HB2 ASP 47 1HB ASP 47 -5.806 0.431 -5.631 400 HB3 ASP 47 2HB ASP 47 -6.849 -1.013 -5.641 401 H GLU 48 H GLU 48 -3.194 -0.842 -5.284 402 HA GLU 48 HA GLU 48 -3.285 -2.978 -7.223 403 HB2 GLU 48 1HB GLU 48 -1.075 -1.284 -6.072 404 HB3 GLU 48 2HB GLU 48 -0.776 -2.563 -7.274 405 HG2 GLU 48 1HG GLU 48 -2.516 -0.064 -7.731 406 HG3 GLU 48 2HG GLU 48 -0.869 -0.424 -8.294 407 H ILE 49 H ILE 49 -1.419 -2.665 -4.185 408 HA ILE 49 HA ILE 49 -0.448 -5.394 -4.293 409 HB ILE 49 HB ILE 49 0.635 -3.556 -2.937 410 HG12 ILE 49 1HG1 ILE 49 1.133 -4.917 -1.004 411 HG13 ILE 49 2HG1 ILE 49 -0.253 -5.969 -1.377 412 HG21 ILE 49 1HG2 ILE 49 -0.361 -3.005 -0.743 413 HG22 ILE 49 2HG2 ILE 49 -1.438 -2.522 -2.073 414 HG23 ILE 49 3HG2 ILE 49 -1.785 -3.995 -1.140 415 HD11 ILE 49 3HD1 ILE 49 2.195 -5.562 -3.131 416 HD12 ILE 49 1HD1 ILE 49 1.864 -6.988 -2.122 417 HD13 ILE 49 2HD1 ILE 49 0.809 -6.613 -3.505 418 H LYS 50 H LYS 50 -3.370 -3.948 -3.027 419 HA LYS 50 HA LYS 50 -4.327 -6.247 -1.611 420 HB2 LYS 50 1HB LYS 50 -5.350 -4.019 -1.511 421 HB3 LYS 50 2HB LYS 50 -5.856 -4.188 -3.207 422 HG2 LYS 50 1HG LYS 50 -7.314 -6.051 -2.625 423 HG3 LYS 50 2HG LYS 50 -6.753 -5.993 -0.938 424 HD2 LYS 50 1HD LYS 50 -7.682 -3.733 -0.693 425 HD3 LYS 50 2HD LYS 50 -8.225 -3.767 -2.388 426 HE2 LYS 50 1HE LYS 50 -9.678 -5.681 -1.891 427 HE3 LYS 50 2HE LYS 50 -9.134 -5.660 -0.198 428 HZ1 LYS 50 3HZ LYS 50 -10.592 -3.485 -1.557 429 HZ2 LYS 50 1HZ LYS 50 -11.241 -4.540 -0.468 430 HZ3 LYS 50 2HZ LYS 50 -10.086 -3.464 0.013 431 H THR 51 H THR 51 -4.807 -5.272 -5.016 432 HA THR 51 HA THR 51 -6.150 -7.689 -5.790 433 HB THR 51 HB THR 51 -4.430 -5.794 -7.445 434 HG1 THR 51 1HG THR 51 -6.526 -4.974 -8.033 435 HG21 THR 51 3HG2 THR 51 -6.468 -7.892 -8.291 436 HG22 THR 51 1HG2 THR 51 -5.638 -6.752 -9.375 437 HG23 THR 51 2HG2 THR 51 -4.707 -8.003 -8.518 438 H PHE 52 H PHE 52 -2.721 -6.814 -5.659 439 HA PHE 52 HA PHE 52 -1.719 -9.112 -7.026 440 HB2 PHE 52 1HB PHE 52 -0.463 -7.424 -4.817 441 HB3 PHE 52 2HB PHE 52 0.407 -8.615 -5.812 442 HD1 PHE 52 1HD PHE 52 -1.654 -7.553 -8.175 443 HD2 PHE 52 2HD PHE 52 1.407 -5.944 -5.668 444 HE1 PHE 52 1HE PHE 52 -1.191 -5.809 -9.863 445 HE2 PHE 52 2HE PHE 52 1.872 -4.195 -7.353 446 HZ PHE 52 HZ PHE 52 0.572 -4.130 -9.453 447 H THR 53 H THR 53 -2.426 -8.582 -3.580 448 HA THR 53 HA THR 53 -1.490 -11.166 -2.718 449 HB THR 53 HB THR 53 -3.599 -9.341 -1.487 450 HG1 THR 53 1HG THR 53 -1.790 -8.739 -0.152 451 HG21 THR 53 3HG2 THR 53 -2.016 -11.655 -0.300 452 HG22 THR 53 1HG2 THR 53 -3.125 -10.586 0.591 453 HG23 THR 53 2HG2 THR 53 -3.757 -11.668 -0.673 454 H VAL 54 H VAL 54 -4.651 -10.006 -3.828 455 HA VAL 54 HA VAL 54 -6.070 -12.484 -3.317 456 HB VAL 54 HB VAL 54 -6.570 -10.226 -5.300 457 HG11 VAL 54 1HG1 VAL 54 -8.832 -11.198 -5.537 458 HG12 VAL 54 2HG1 VAL 54 -7.583 -12.341 -6.087 459 HG13 VAL 54 3HG1 VAL 54 -8.354 -12.562 -4.497 460 HG21 VAL 54 3HG2 VAL 54 -6.730 -9.537 -2.982 461 HG22 VAL 54 1HG2 VAL 54 -8.339 -9.579 -3.743 462 HG23 VAL 54 2HG2 VAL 54 -7.842 -10.883 -2.640 463 H THR 55 H THR 55 -4.193 -11.319 -6.076 464 HA THR 55 HA THR 55 -4.912 -13.741 -7.617 465 HB THR 55 HB THR 55 -3.510 -12.757 -9.390 466 HG1 THR 55 1HG THR 55 -2.579 -10.665 -8.976 467 HG21 THR 55 3HG2 THR 55 -5.374 -10.723 -8.106 468 HG22 THR 55 1HG2 THR 55 -4.831 -10.711 -9.799 469 HG23 THR 55 2HG2 THR 55 -5.865 -12.032 -9.206 470 H GLU 56 H GLU 56 -2.526 -12.775 -5.384 471 HA GLU 56 HA GLU 56 -0.314 -14.356 -6.307 472 HB2 GLU 56 1HB GLU 56 -0.193 -12.623 -4.556 473 HB3 GLU 56 2HB GLU 56 -1.144 -13.676 -3.481 474 HG2 GLU 56 1HG GLU 56 0.743 -15.374 -3.537 475 HG3 GLU 56 2HG GLU 56 1.536 -14.255 -4.669 Start of MODEL 8 1 H1 THR 1 1H THR 1 -6.259 11.429 -10.129 2 H2 THR 1 2H THR 1 -7.467 12.313 -10.207 3 H3 THR 1 3H THR 1 -7.201 11.515 -8.965 4 HA THR 1 HA THR 1 -8.823 10.651 -11.125 5 HB THR 1 HB THR 1 -7.762 8.523 -11.747 6 HG1 THR 1 1HG THR 1 -5.566 8.174 -11.067 7 HG21 THR 1 3HG2 THR 1 -5.885 10.892 -12.109 8 HG22 THR 1 1HG2 THR 1 -5.892 9.411 -13.093 9 HG23 THR 1 2HG2 THR 1 -7.288 10.514 -13.134 10 H THR 2 H THR 2 -7.312 10.134 -8.064 11 HA THR 2 HA THR 2 -9.282 7.998 -7.383 12 HB THR 2 HB THR 2 -6.929 9.094 -5.784 13 HG1 THR 2 1HG THR 2 -6.035 7.005 -6.350 14 HG21 THR 2 3HG2 THR 2 -8.731 6.681 -5.330 15 HG22 THR 2 1HG2 THR 2 -7.314 7.122 -4.349 16 HG23 THR 2 2HG2 THR 2 -8.744 8.183 -4.375 17 H TYR 3 H TYR 3 -11.037 8.334 -6.272 18 HA TYR 3 HA TYR 3 -11.447 11.118 -5.233 19 HB2 TYR 3 1HB TYR 3 -13.459 9.072 -6.193 20 HB3 TYR 3 2HB TYR 3 -13.821 10.710 -5.599 21 HD1 TYR 3 2HD TYR 3 -12.816 12.685 -6.913 22 HD2 TYR 3 1HD TYR 3 -13.021 8.724 -8.478 23 HE1 TYR 3 2HE TYR 3 -12.547 13.586 -9.198 24 HE2 TYR 3 1HE TYR 3 -12.752 9.610 -10.776 25 HH TYR 3 HH TYR 3 -12.402 13.101 -11.419 26 H LYS 4 H LYS 4 -10.688 8.155 -4.123 27 HA LYS 4 HA LYS 4 -12.503 8.166 -1.788 28 HB2 LYS 4 1HB LYS 4 -10.116 6.471 -2.538 29 HB3 LYS 4 2HB LYS 4 -11.080 6.267 -1.055 30 HG2 LYS 4 1HG LYS 4 -13.081 5.810 -2.445 31 HG3 LYS 4 2HG LYS 4 -12.077 5.955 -3.907 32 HD2 LYS 4 1HD LYS 4 -10.680 4.076 -3.134 33 HD3 LYS 4 2HD LYS 4 -11.692 3.929 -1.676 34 HE2 LYS 4 1HE LYS 4 -13.650 3.449 -3.083 35 HE3 LYS 4 2HE LYS 4 -12.640 3.596 -4.540 36 HZ1 LYS 4 3HZ LYS 4 -12.289 1.589 -2.405 37 HZ2 LYS 4 1HZ LYS 4 -12.941 1.303 -3.893 38 HZ3 LYS 4 2HZ LYS 4 -11.351 1.726 -3.756 39 H LEU 5 H LEU 5 -11.528 7.939 0.402 40 HA LEU 5 HA LEU 5 -10.320 10.420 1.067 41 HB2 LEU 5 1HB LEU 5 -11.629 9.130 2.486 42 HB3 LEU 5 2HB LEU 5 -10.450 7.813 2.682 43 HG LEU 5 HG LEU 5 -8.855 9.541 3.639 44 HD11 LEU 5 1HD1 LEU 5 -9.910 11.626 4.553 45 HD12 LEU 5 2HD1 LEU 5 -10.039 11.561 2.781 46 HD13 LEU 5 3HD1 LEU 5 -11.450 11.164 3.791 47 HD21 LEU 5 3HD2 LEU 5 -10.010 7.941 5.047 48 HD22 LEU 5 1HD2 LEU 5 -9.898 9.511 5.878 49 HD23 LEU 5 2HD2 LEU 5 -11.436 9.003 5.135 50 H ILE 6 H ILE 6 -8.399 11.183 0.771 51 HA ILE 6 HA ILE 6 -6.101 9.261 0.562 52 HB ILE 6 HB ILE 6 -6.311 12.168 -0.346 53 HG12 ILE 6 1HG1 ILE 6 -7.737 10.787 -1.670 54 HG13 ILE 6 2HG1 ILE 6 -6.315 11.317 -2.598 55 HG21 ILE 6 1HG2 ILE 6 -4.167 11.697 -1.480 56 HG22 ILE 6 2HG2 ILE 6 -4.023 11.471 0.277 57 HG23 ILE 6 3HG2 ILE 6 -4.162 10.057 -0.794 58 HD11 ILE 6 3HD1 ILE 6 -6.704 8.573 -1.352 59 HD12 ILE 6 1HD1 ILE 6 -6.865 8.964 -3.079 60 HD13 ILE 6 2HD1 ILE 6 -5.281 9.102 -2.279 61 H LEU 7 H LEU 7 -4.666 9.092 2.037 62 HA LEU 7 HA LEU 7 -4.646 11.039 4.266 63 HB2 LEU 7 1HB LEU 7 -3.072 8.623 3.653 64 HB3 LEU 7 2HB LEU 7 -2.949 9.414 5.241 65 HG LEU 7 HG LEU 7 -5.380 7.998 4.081 66 HD11 LEU 7 1HD1 LEU 7 -5.048 6.445 6.024 67 HD12 LEU 7 2HD1 LEU 7 -3.617 6.473 4.967 68 HD13 LEU 7 3HD1 LEU 7 -3.609 7.376 6.502 69 HD21 LEU 7 3HD2 LEU 7 -6.061 9.957 5.337 70 HD22 LEU 7 1HD2 LEU 7 -6.474 8.482 6.244 71 HD23 LEU 7 2HD2 LEU 7 -5.061 9.455 6.720 72 H ASN 8 H ASN 8 -2.730 12.028 5.049 73 HA ASN 8 HA ASN 8 -1.236 13.480 3.145 74 HB2 ASN 8 1HB ASN 8 -1.287 13.971 5.791 75 HB3 ASN 8 2HB ASN 8 -0.303 12.495 5.654 76 HD21 ASN 8 2HD2 ASN 8 -0.397 15.911 5.402 77 HD22 ASN 8 1HD2 ASN 8 1.275 16.163 5.024 78 H LEU 9 H LEU 9 0.583 13.244 2.033 79 HA LEU 9 HA LEU 9 1.169 10.740 0.992 80 HB2 LEU 9 1HB LEU 9 1.807 13.011 0.311 81 HB3 LEU 9 2HB LEU 9 3.296 12.921 1.279 82 HG LEU 9 HG LEU 9 2.515 10.989 -0.937 83 HD11 LEU 9 1HD1 LEU 9 4.372 12.073 -2.229 84 HD12 LEU 9 2HD1 LEU 9 3.096 13.244 -1.823 85 HD13 LEU 9 3HD1 LEU 9 4.612 13.220 -0.890 86 HD21 LEU 9 3HD2 LEU 9 3.871 9.953 0.784 87 HD22 LEU 9 1HD2 LEU 9 4.828 10.153 -0.703 88 HD23 LEU 9 2HD2 LEU 9 5.070 11.262 0.669 89 H LYS 10 H LYS 10 2.806 12.305 3.734 90 HA LYS 10 HA LYS 10 4.797 10.322 4.152 91 HB2 LYS 10 1HB LYS 10 4.749 12.508 5.257 92 HB3 LYS 10 2HB LYS 10 3.316 12.001 6.183 93 HG2 LYS 10 1HG LYS 10 4.629 10.259 7.295 94 HG3 LYS 10 2HG LYS 10 6.061 10.707 6.338 95 HD2 LYS 10 1HD LYS 10 6.063 12.938 7.354 96 HD3 LYS 10 2HD LYS 10 4.600 12.530 8.280 97 HE2 LYS 10 1HE LYS 10 5.836 10.720 9.413 98 HE3 LYS 10 2HE LYS 10 7.299 11.161 8.503 99 HZ1 LYS 10 3HZ LYS 10 5.877 12.905 10.410 100 HZ2 LYS 10 1HZ LYS 10 7.298 12.120 10.705 101 HZ3 LYS 10 2HZ LYS 10 7.234 13.313 9.566 102 H GLN 11 H GLN 11 1.521 10.545 5.553 103 HA GLN 11 HA GLN 11 1.794 8.030 6.976 104 HB2 GLN 11 1HB GLN 11 0.247 9.899 7.583 105 HB3 GLN 11 2HB GLN 11 -0.713 9.500 6.139 106 HG2 GLN 11 1HG GLN 11 -1.878 8.211 8.051 107 HG3 GLN 11 2HG GLN 11 -0.831 7.306 6.932 108 HE21 GLN 11 2HE2 GLN 11 -0.659 5.636 8.509 109 HE22 GLN 11 1HE2 GLN 11 0.388 5.812 9.880 110 H ALA 12 H ALA 12 0.166 8.980 3.952 111 HA ALA 12 HA ALA 12 -0.982 6.448 3.404 112 HB1 ALA 12 1HB ALA 12 -1.108 7.224 1.069 113 HB2 ALA 12 2HB ALA 12 -1.617 8.492 2.207 114 HB3 ALA 12 3HB ALA 12 -0.005 8.564 1.457 115 H LYS 13 H LYS 13 2.250 7.711 2.738 116 HA LYS 13 HA LYS 13 3.162 5.543 1.102 117 HB2 LYS 13 1HB LYS 13 4.339 7.674 1.348 118 HB3 LYS 13 2HB LYS 13 4.683 7.283 3.050 119 HG2 LYS 13 1HG LYS 13 6.048 5.371 2.357 120 HG3 LYS 13 2HG LYS 13 5.674 5.707 0.650 121 HD2 LYS 13 1HD LYS 13 6.782 7.891 0.824 122 HD3 LYS 13 2HD LYS 13 7.132 7.583 2.541 123 HE2 LYS 13 1HE LYS 13 8.477 5.617 1.902 124 HE3 LYS 13 2HE LYS 13 8.149 5.960 0.188 125 HZ1 LYS 13 3HZ LYS 13 9.588 7.742 2.048 126 HZ2 LYS 13 1HZ LYS 13 10.286 6.817 0.873 127 HZ3 LYS 13 2HZ LYS 13 9.284 8.061 0.459 128 H GLU 14 H GLU 14 3.442 6.047 4.629 129 HA GLU 14 HA GLU 14 4.637 3.470 5.124 130 HB2 GLU 14 1HB GLU 14 3.075 5.372 6.872 131 HB3 GLU 14 2HB GLU 14 3.838 3.876 7.462 132 HG2 GLU 14 1HG GLU 14 6.101 4.807 6.793 133 HG3 GLU 14 2HG GLU 14 5.194 6.201 6.163 134 H GLU 15 H GLU 15 1.302 4.576 4.886 135 HA GLU 15 HA GLU 15 0.085 2.202 5.964 136 HB2 GLU 15 1HB GLU 15 -0.853 4.308 4.019 137 HB3 GLU 15 2HB GLU 15 -1.875 2.955 4.560 138 HG2 GLU 15 1HG GLU 15 -0.718 5.152 6.381 139 HG3 GLU 15 2HG GLU 15 -2.370 4.940 5.758 140 H ALA 16 H ALA 16 0.998 3.117 2.650 141 HA ALA 16 HA ALA 16 0.095 0.658 1.467 142 HB1 ALA 16 1HB ALA 16 1.528 1.306 -0.431 143 HB2 ALA 16 2HB ALA 16 0.535 2.670 0.133 144 HB3 ALA 16 3HB ALA 16 2.259 2.589 0.562 145 H ILE 17 H ILE 17 3.180 1.682 2.886 146 HA ILE 17 HA ILE 17 4.670 -0.669 2.116 147 HB ILE 17 HB ILE 17 5.008 1.325 4.398 148 HG12 ILE 17 1HG1 ILE 17 6.671 0.936 1.929 149 HG13 ILE 17 2HG1 ILE 17 5.291 2.054 2.025 150 HG21 ILE 17 1HG2 ILE 17 7.251 0.336 4.716 151 HG22 ILE 17 2HG2 ILE 17 5.974 -0.860 5.037 152 HG23 ILE 17 3HG2 ILE 17 6.874 -0.911 3.504 153 HD11 ILE 17 3HD1 ILE 17 7.788 2.160 3.755 154 HD12 ILE 17 1HD1 ILE 17 7.420 3.238 2.388 155 HD13 ILE 17 2HD1 ILE 17 6.406 3.278 3.851 156 H LYS 18 H LYS 18 2.591 0.019 4.877 157 HA LYS 18 HA LYS 18 3.121 -2.359 6.350 158 HB2 LYS 18 1HB LYS 18 0.621 -0.713 5.980 159 HB3 LYS 18 2HB LYS 18 0.723 -2.105 7.086 160 HG2 LYS 18 1HG LYS 18 2.451 -0.992 8.388 161 HG3 LYS 18 2HG LYS 18 2.482 0.366 7.240 162 HD2 LYS 18 1HD LYS 18 0.091 0.825 7.789 163 HD3 LYS 18 2HD LYS 18 0.161 -0.461 9.016 164 HE2 LYS 18 1HE LYS 18 1.884 0.737 10.235 165 HE3 LYS 18 2HE LYS 18 1.951 1.986 8.970 166 HZ1 LYS 18 3HZ LYS 18 -0.378 1.407 10.687 167 HZ2 LYS 18 1HZ LYS 18 0.639 2.695 10.853 168 HZ3 LYS 18 2HZ LYS 18 -0.316 2.565 9.514 169 H GLU 19 H GLU 19 1.038 -1.793 3.545 170 HA GLU 19 HA GLU 19 0.060 -4.572 3.583 171 HB2 GLU 19 1HB GLU 19 -0.214 -2.303 1.608 172 HB3 GLU 19 2HB GLU 19 -0.939 -3.915 1.396 173 HG2 GLU 19 1HG GLU 19 -1.648 -1.899 3.611 174 HG3 GLU 19 2HG GLU 19 -2.558 -2.388 2.162 175 H LEU 20 H LEU 20 2.599 -2.727 2.031 176 HA LEU 20 HA LEU 20 3.163 -4.627 -0.062 177 HB2 LEU 20 1HB LEU 20 4.658 -2.553 1.379 178 HB3 LEU 20 2HB LEU 20 5.509 -3.423 0.081 179 HG LEU 20 HG LEU 20 2.965 -1.790 -0.267 180 HD11 LEU 20 1HD1 LEU 20 4.445 -0.157 -1.467 181 HD12 LEU 20 2HD1 LEU 20 4.936 -0.349 0.232 182 HD13 LEU 20 3HD1 LEU 20 5.856 -1.159 -1.058 183 HD21 LEU 20 3HD2 LEU 20 3.142 -3.620 -1.848 184 HD22 LEU 20 1HD2 LEU 20 3.400 -2.069 -2.684 185 HD23 LEU 20 2HD2 LEU 20 4.790 -3.114 -2.294 186 H VAL 21 H VAL 21 4.354 -4.265 3.258 187 HA VAL 21 HA VAL 21 6.243 -6.511 2.992 188 HB VAL 21 HB VAL 21 6.463 -4.523 4.624 189 HG11 VAL 21 1HG1 VAL 21 5.321 -4.828 6.795 190 HG12 VAL 21 2HG1 VAL 21 4.147 -4.585 5.481 191 HG13 VAL 21 3HG1 VAL 21 4.431 -6.218 6.133 192 HG21 VAL 21 3HG2 VAL 21 7.892 -6.479 4.708 193 HG22 VAL 21 1HG2 VAL 21 7.486 -5.921 6.347 194 HG23 VAL 21 2HG2 VAL 21 6.672 -7.351 5.669 195 H ASP 22 H ASP 22 2.917 -6.101 4.006 196 HA ASP 22 HA ASP 22 2.691 -8.787 5.110 197 HB2 ASP 22 1HB ASP 22 0.567 -6.768 4.170 198 HB3 ASP 22 2HB ASP 22 0.338 -8.438 4.749 199 H ALA 23 H ALA 23 2.252 -7.341 1.921 200 HA ALA 23 HA ALA 23 1.093 -9.653 0.688 201 HB1 ALA 23 1HB ALA 23 1.820 -8.620 -1.427 202 HB2 ALA 23 2HB ALA 23 1.039 -7.433 -0.355 203 HB3 ALA 23 3HB ALA 23 2.811 -7.457 -0.517 204 H GLY 24 H GLY 24 4.439 -8.675 1.285 205 HA2 GLY 24 1HA GLY 24 6.260 -10.136 1.551 206 HA3 GLY 24 2HA GLY 24 5.260 -11.477 0.949 207 H ILE 25 H ILE 25 5.001 -8.740 -1.023 208 HA ILE 25 HA ILE 25 6.750 -10.028 -3.080 209 HB ILE 25 HB ILE 25 4.685 -7.793 -3.333 210 HG12 ILE 25 1HG1 ILE 25 4.472 -10.667 -4.189 211 HG13 ILE 25 2HG1 ILE 25 3.772 -9.995 -2.699 212 HG21 ILE 25 1HG2 ILE 25 4.922 -8.192 -5.761 213 HG22 ILE 25 2HG2 ILE 25 6.470 -7.694 -5.040 214 HG23 ILE 25 3HG2 ILE 25 6.184 -9.405 -5.439 215 HD11 ILE 25 3HD1 ILE 25 3.088 -9.131 -5.531 216 HD12 ILE 25 1HD1 ILE 25 2.081 -10.155 -4.483 217 HD13 ILE 25 2HD1 ILE 25 2.388 -8.459 -4.040 218 H ALA 26 H ALA 26 8.773 -9.498 -2.825 219 HA ALA 26 HA ALA 26 9.586 -7.001 -1.673 220 HB1 ALA 26 1HB ALA 26 11.864 -7.706 -2.297 221 HB2 ALA 26 2HB ALA 26 10.959 -9.028 -1.521 222 HB3 ALA 26 3HB ALA 26 11.184 -9.017 -3.287 223 H GLU 27 H GLU 27 9.179 -8.102 -4.995 224 HA GLU 27 HA GLU 27 10.548 -6.038 -6.361 225 HB2 GLU 27 1HB GLU 27 9.585 -8.002 -7.441 226 HB3 GLU 27 2HB GLU 27 7.948 -7.405 -7.075 227 HG2 GLU 27 1HG GLU 27 8.413 -5.397 -8.586 228 HG3 GLU 27 2HG GLU 27 10.010 -6.140 -8.832 229 H LYS 28 H LYS 28 7.137 -6.076 -5.294 230 HA LYS 28 HA LYS 28 6.765 -3.329 -6.265 231 HB2 LYS 28 1HB LYS 28 4.978 -5.121 -4.610 232 HB3 LYS 28 2HB LYS 28 4.517 -3.569 -5.348 233 HG2 LYS 28 1HG LYS 28 5.398 -6.036 -6.886 234 HG3 LYS 28 2HG LYS 28 3.705 -5.551 -6.625 235 HD2 LYS 28 1HD LYS 28 4.147 -3.413 -7.778 236 HD3 LYS 28 2HD LYS 28 5.829 -3.922 -8.060 237 HE2 LYS 28 1HE LYS 28 5.039 -5.832 -9.379 238 HE3 LYS 28 2HE LYS 28 3.354 -5.349 -9.082 239 HZ1 LYS 28 3HZ LYS 28 5.363 -3.755 -10.540 240 HZ2 LYS 28 1HZ LYS 28 4.127 -4.604 -11.230 241 HZ3 LYS 28 2HZ LYS 28 3.800 -3.305 -10.265 242 H TYR 29 H TYR 29 7.587 -4.884 -3.263 243 HA TYR 29 HA TYR 29 6.917 -2.862 -1.405 244 HB2 TYR 29 1HB TYR 29 7.872 -5.099 -0.889 245 HB3 TYR 29 2HB TYR 29 9.448 -4.511 -1.473 246 HD1 TYR 29 1HD TYR 29 6.920 -4.220 1.207 247 HD2 TYR 29 2HD TYR 29 10.778 -2.995 -0.135 248 HE1 TYR 29 1HE TYR 29 7.405 -3.309 3.458 249 HE2 TYR 29 2HE TYR 29 11.279 -2.080 2.106 250 HH TYR 29 HH TYR 29 10.518 -1.744 4.226 251 H PHE 30 H PHE 30 9.576 -3.002 -3.719 252 HA PHE 30 HA PHE 30 10.457 -0.300 -2.764 253 HB2 PHE 30 1HB PHE 30 11.916 -2.390 -4.439 254 HB3 PHE 30 2HB PHE 30 12.556 -0.788 -4.006 255 HD1 PHE 30 2HD PHE 30 12.750 -0.251 -1.508 256 HD2 PHE 30 1HD PHE 30 12.300 -4.197 -3.084 257 HE1 PHE 30 2HE PHE 30 13.698 -1.189 0.575 258 HE2 PHE 30 1HE PHE 30 13.243 -5.138 -1.001 259 HZ PHE 30 HZ PHE 30 13.942 -3.634 0.828 260 H LYS 31 H LYS 31 9.195 -2.097 -5.491 261 HA LYS 31 HA LYS 31 9.829 0.038 -7.409 262 HB2 LYS 31 1HB LYS 31 9.844 -2.334 -8.038 263 HB3 LYS 31 2HB LYS 31 8.108 -2.435 -7.659 264 HG2 LYS 31 1HG LYS 31 7.642 -0.775 -9.434 265 HG3 LYS 31 2HG LYS 31 9.376 -0.734 -9.833 266 HD2 LYS 31 1HD LYS 31 7.755 -3.291 -9.865 267 HD3 LYS 31 2HD LYS 31 7.884 -2.228 -11.286 268 HE2 LYS 31 1HE LYS 31 10.369 -2.415 -11.129 269 HE3 LYS 31 2HE LYS 31 10.157 -3.599 -9.818 270 HZ1 LYS 31 3HZ LYS 31 9.164 -3.903 -12.580 271 HZ2 LYS 31 1HZ LYS 31 10.478 -4.673 -11.942 272 HZ3 LYS 31 2HZ LYS 31 8.966 -5.000 -11.364 273 H LEU 32 H LEU 32 6.787 -1.383 -6.160 274 HA LEU 32 HA LEU 32 5.084 0.348 -7.620 275 HB2 LEU 32 1HB LEU 32 4.430 -1.633 -6.619 276 HB3 LEU 32 2HB LEU 32 4.610 -1.070 -4.941 277 HG LEU 32 HG LEU 32 2.865 0.677 -5.422 278 HD11 LEU 32 1HD1 LEU 32 1.396 0.303 -7.421 279 HD12 LEU 32 2HD1 LEU 32 3.069 0.662 -7.907 280 HD13 LEU 32 3HD1 LEU 32 2.471 -1.014 -7.945 281 HD21 LEU 32 3HD2 LEU 32 2.309 -1.352 -4.217 282 HD22 LEU 32 1HD2 LEU 32 0.952 -0.879 -5.267 283 HD23 LEU 32 2HD2 LEU 32 2.025 -2.217 -5.747 284 H ILE 33 H ILE 33 6.265 0.687 -4.269 285 HA ILE 33 HA ILE 33 4.866 3.189 -3.824 286 HB ILE 33 HB ILE 33 5.823 1.580 -2.032 287 HG12 ILE 33 1HG1 ILE 33 6.397 3.441 -0.515 288 HG13 ILE 33 2HG1 ILE 33 6.340 4.538 -1.913 289 HG21 ILE 33 1HG2 ILE 33 8.148 2.054 -1.344 290 HG22 ILE 33 2HG2 ILE 33 8.091 1.396 -2.994 291 HG23 ILE 33 3HG2 ILE 33 8.342 3.139 -2.741 292 HD11 ILE 33 3HD1 ILE 33 4.027 2.865 -0.872 293 HD12 ILE 33 1HD1 ILE 33 4.235 4.614 -0.637 294 HD13 ILE 33 2HD1 ILE 33 3.972 3.961 -2.272 295 H ALA 34 H ALA 34 7.828 2.401 -5.414 296 HA ALA 34 HA ALA 34 8.799 5.176 -5.237 297 HB1 ALA 34 1HB ALA 34 10.684 4.348 -6.591 298 HB2 ALA 34 2HB ALA 34 10.416 3.333 -5.155 299 HB3 ALA 34 3HB ALA 34 9.872 2.773 -6.753 300 H ASN 35 H ASN 35 6.645 3.427 -7.163 301 HA ASN 35 HA ASN 35 7.104 5.158 -9.549 302 HB2 ASN 35 1HB ASN 35 5.209 2.698 -9.336 303 HB3 ASN 35 2HB ASN 35 5.483 4.004 -10.515 304 HD21 ASN 35 2HD2 ASN 35 5.889 1.010 -10.510 305 HD22 ASN 35 1HD2 ASN 35 7.513 0.800 -11.078 306 H ALA 36 H ALA 36 5.893 5.910 -6.817 307 HA ALA 36 HA ALA 36 3.212 6.791 -7.636 308 HB1 ALA 36 1HB ALA 36 3.144 7.846 -5.409 309 HB2 ALA 36 2HB ALA 36 3.618 6.134 -5.306 310 HB3 ALA 36 3HB ALA 36 4.849 7.408 -5.151 311 H LYS 37 H LYS 37 2.612 8.696 -8.396 312 HA LYS 37 HA LYS 37 4.749 10.786 -8.681 313 HB2 LYS 37 1HB LYS 37 2.380 10.183 -10.459 314 HB3 LYS 37 2HB LYS 37 3.523 11.531 -10.667 315 HG2 LYS 37 1HG LYS 37 5.353 9.935 -11.040 316 HG3 LYS 37 2HG LYS 37 4.223 8.578 -10.810 317 HD2 LYS 37 1HD LYS 37 2.911 9.353 -12.752 318 HD3 LYS 37 2HD LYS 37 4.062 10.688 -12.989 319 HE2 LYS 37 1HE LYS 37 5.868 9.097 -13.387 320 HE3 LYS 37 2HE LYS 37 4.765 7.738 -13.071 321 HZ1 LYS 37 3HZ LYS 37 4.513 9.673 -15.283 322 HZ2 LYS 37 1HZ LYS 37 5.056 8.122 -15.423 323 HZ3 LYS 37 2HZ LYS 37 3.490 8.413 -14.993 324 H THR 38 H THR 38 1.566 10.033 -7.552 325 HA THR 38 HA THR 38 1.358 12.849 -6.557 326 HB THR 38 HB THR 38 -1.042 12.846 -6.912 327 HG1 THR 38 1HG THR 38 -2.010 11.035 -8.006 328 HG21 THR 38 3HG2 THR 38 0.392 11.913 -9.429 329 HG22 THR 38 1HG2 THR 38 -1.149 12.800 -9.379 330 HG23 THR 38 2HG2 THR 38 0.348 13.583 -8.818 331 H VAL 39 H VAL 39 -0.030 13.108 -4.693 332 HA VAL 39 HA VAL 39 0.412 11.109 -2.640 333 HB VAL 39 HB VAL 39 -0.015 13.598 -2.255 334 HG11 VAL 39 1HG1 VAL 39 -2.386 14.285 -2.107 335 HG12 VAL 39 2HG1 VAL 39 -1.956 13.823 -3.771 336 HG13 VAL 39 3HG1 VAL 39 -2.886 12.701 -2.746 337 HG21 VAL 39 3HG2 VAL 39 -0.009 11.988 -0.447 338 HG22 VAL 39 1HG2 VAL 39 -1.259 13.224 -0.186 339 HG23 VAL 39 2HG2 VAL 39 -1.719 11.603 -0.757 340 H GLU 40 H GLU 40 -2.082 11.530 -5.026 341 HA GLU 40 HA GLU 40 -3.944 9.676 -3.765 342 HB2 GLU 40 1HB GLU 40 -3.611 10.655 -6.603 343 HB3 GLU 40 2HB GLU 40 -4.917 9.573 -6.061 344 HG2 GLU 40 1HG GLU 40 -5.667 11.432 -4.449 345 HG3 GLU 40 2HG GLU 40 -4.340 12.367 -5.173 346 H GLY 41 H GLY 41 -1.391 9.377 -6.221 347 HA2 GLY 41 1HA GLY 41 -1.741 6.593 -6.724 348 HA3 GLY 41 2HA GLY 41 -0.231 7.510 -6.934 349 H VAL 42 H VAL 42 0.239 8.348 -4.325 350 HA VAL 42 HA VAL 42 1.573 6.090 -3.176 351 HB VAL 42 HB VAL 42 0.673 8.716 -1.924 352 HG11 VAL 42 1HG1 VAL 42 2.280 8.180 -0.123 353 HG12 VAL 42 2HG1 VAL 42 0.979 6.969 -0.203 354 HG13 VAL 42 3HG1 VAL 42 2.587 6.594 -0.868 355 HG21 VAL 42 3HG2 VAL 42 2.261 8.998 -3.732 356 HG22 VAL 42 1HG2 VAL 42 3.020 9.353 -2.163 357 HG23 VAL 42 2HG2 VAL 42 3.354 7.809 -2.982 358 H TRP 43 H TRP 43 -1.532 7.575 -2.261 359 HA TRP 43 HA TRP 43 -2.015 5.656 -0.146 360 HB2 TRP 43 1HB TRP 43 -3.112 7.888 -0.210 361 HB3 TRP 43 2HB TRP 43 -3.990 7.401 -1.679 362 HD1 TRP 43 HD TRP 43 -3.787 6.791 1.978 363 HE1 TRP 43 1HE TRP 43 -6.091 5.660 2.825 364 HE3 TRP 43 3HE TRP 43 -5.931 6.001 -2.563 365 HZ2 TRP 43 2HZ TRP 43 -8.355 4.654 1.602 366 HZ3 TRP 43 3HZ TRP 43 -8.116 4.976 -2.712 367 HH2 TRP 43 HH TRP 43 -9.358 4.295 -0.706 368 H THR 44 H THR 44 -3.094 5.880 -3.533 369 HA THR 44 HA THR 44 -4.975 3.723 -3.346 370 HB THR 44 HB THR 44 -3.464 4.817 -5.756 371 HG1 THR 44 1HG THR 44 -6.102 5.298 -4.757 372 HG21 THR 44 3HG2 THR 44 -5.923 3.029 -5.607 373 HG22 THR 44 1HG2 THR 44 -5.236 3.730 -7.090 374 HG23 THR 44 2HG2 THR 44 -4.307 2.530 -6.160 375 H TYR 45 H TYR 45 -1.514 3.790 -3.897 376 HA TYR 45 HA TYR 45 -1.252 1.172 -5.030 377 HB2 TYR 45 1HB TYR 45 0.599 2.929 -3.422 378 HB3 TYR 45 2HB TYR 45 1.079 1.327 -4.038 379 HD1 TYR 45 1HD TYR 45 -1.052 2.292 -6.476 380 HD2 TYR 45 2HD TYR 45 2.734 3.474 -4.908 381 HE1 TYR 45 1HE TYR 45 -0.471 3.306 -8.662 382 HE2 TYR 45 2HE TYR 45 3.330 4.489 -7.081 383 HH TYR 45 HH TYR 45 2.651 4.941 -9.208 384 H LYS 46 H LYS 46 -1.754 2.255 -1.751 385 HA LYS 46 HA LYS 46 -1.035 -0.093 -0.335 386 HB2 LYS 46 1HB LYS 46 -1.728 1.980 0.735 387 HB3 LYS 46 2HB LYS 46 -3.372 1.775 0.086 388 HG2 LYS 46 1HG LYS 46 -3.664 -0.256 1.427 389 HG3 LYS 46 2HG LYS 46 -2.005 -0.092 2.054 390 HD2 LYS 46 1HD LYS 46 -2.596 2.052 3.090 391 HD3 LYS 46 2HD LYS 46 -4.246 1.922 2.439 392 HE2 LYS 46 1HE LYS 46 -4.633 -0.100 3.747 393 HE3 LYS 46 2HE LYS 46 -2.964 -0.042 4.360 394 HZ1 LYS 46 3HZ LYS 46 -5.042 1.992 4.855 395 HZ2 LYS 46 1HZ LYS 46 -4.525 0.866 5.944 396 HZ3 LYS 46 2HZ LYS 46 -3.495 2.045 5.425 397 H ASP 47 H ASP 47 -3.848 0.581 -2.346 398 HA ASP 47 HA ASP 47 -5.034 -2.044 -1.590 399 HB2 ASP 47 1HB ASP 47 -6.186 0.207 -3.346 400 HB3 ASP 47 2HB ASP 47 -6.849 -1.386 -2.902 401 H GLU 48 H GLU 48 -3.169 -0.563 -4.076 402 HA GLU 48 HA GLU 48 -3.866 -2.355 -6.230 403 HB2 GLU 48 1HB GLU 48 -1.401 -0.729 -5.603 404 HB3 GLU 48 2HB GLU 48 -1.582 -1.713 -7.077 405 HG2 GLU 48 1HG GLU 48 -3.318 0.713 -6.314 406 HG3 GLU 48 2HG GLU 48 -2.031 0.558 -7.533 407 H ILE 49 H ILE 49 -1.410 -2.489 -3.667 408 HA ILE 49 HA ILE 49 -0.170 -4.923 -4.644 409 HB ILE 49 HB ILE 49 0.900 -3.318 -2.993 410 HG12 ILE 49 1HG1 ILE 49 1.829 -5.086 -1.543 411 HG13 ILE 49 2HG1 ILE 49 0.625 -6.209 -2.217 412 HG21 ILE 49 1HG2 ILE 49 0.263 -3.548 -0.617 413 HG22 ILE 49 2HG2 ILE 49 -1.095 -2.928 -1.585 414 HG23 ILE 49 3HG2 ILE 49 -1.071 -4.633 -1.077 415 HD11 ILE 49 3HD1 ILE 49 2.776 -4.750 -3.792 416 HD12 ILE 49 1HD1 ILE 49 2.807 -6.468 -3.332 417 HD13 ILE 49 2HD1 ILE 49 1.571 -5.873 -4.466 418 H LYS 50 H LYS 50 -3.012 -4.295 -2.737 419 HA LYS 50 HA LYS 50 -3.373 -6.967 -1.740 420 HB2 LYS 50 1HB LYS 50 -5.350 -4.809 -2.487 421 HB3 LYS 50 2HB LYS 50 -5.778 -6.335 -1.677 422 HG2 LYS 50 1HG LYS 50 -4.405 -5.732 0.249 423 HG3 LYS 50 2HG LYS 50 -3.882 -4.239 -0.565 424 HD2 LYS 50 1HD LYS 50 -6.271 -3.507 -0.643 425 HD3 LYS 50 2HD LYS 50 -6.702 -4.948 0.308 426 HE2 LYS 50 1HE LYS 50 -5.368 -4.204 2.166 427 HE3 LYS 50 2HE LYS 50 -4.700 -2.861 1.211 428 HZ1 LYS 50 3HZ LYS 50 -7.525 -3.162 2.004 429 HZ2 LYS 50 1HZ LYS 50 -6.443 -2.122 2.688 430 HZ3 LYS 50 2HZ LYS 50 -6.906 -1.916 1.118 431 H THR 51 H THR 51 -4.462 -5.397 -4.751 432 HA THR 51 HA THR 51 -5.631 -7.785 -5.868 433 HB THR 51 HB THR 51 -4.415 -5.355 -7.254 434 HG1 THR 51 1HG THR 51 -6.660 -4.763 -7.403 435 HG21 THR 51 3HG2 THR 51 -6.279 -7.525 -8.298 436 HG22 THR 51 1HG2 THR 51 -5.762 -6.078 -9.194 437 HG23 THR 51 2HG2 THR 51 -4.570 -7.321 -8.746 438 H PHE 52 H PHE 52 -2.358 -6.426 -5.971 439 HA PHE 52 HA PHE 52 -1.282 -8.300 -7.852 440 HB2 PHE 52 1HB PHE 52 0.073 -6.810 -5.561 441 HB3 PHE 52 2HB PHE 52 0.916 -7.663 -6.873 442 HD1 PHE 52 1HD PHE 52 -1.692 -6.519 -8.619 443 HD2 PHE 52 2HD PHE 52 1.634 -4.973 -6.427 444 HE1 PHE 52 1HE PHE 52 -1.746 -4.464 -9.991 445 HE2 PHE 52 2HE PHE 52 1.582 -2.915 -7.795 446 HZ PHE 52 HZ PHE 52 -0.107 -2.662 -9.580 447 H THR 53 H THR 53 -1.737 -8.474 -4.350 448 HA THR 53 HA THR 53 -0.344 -10.989 -4.026 449 HB THR 53 HB THR 53 -2.569 -9.745 -2.354 450 HG1 THR 53 1HG THR 53 -0.623 -8.495 -2.482 451 HG21 THR 53 3HG2 THR 53 -0.577 -11.956 -1.711 452 HG22 THR 53 1HG2 THR 53 -1.742 -11.241 -0.572 453 HG23 THR 53 2HG2 THR 53 -2.324 -12.174 -1.972 454 H VAL 54 H VAL 54 -3.734 -10.142 -4.655 455 HA VAL 54 HA VAL 54 -4.729 -12.865 -4.578 456 HB VAL 54 HB VAL 54 -5.743 -10.369 -5.999 457 HG11 VAL 54 1HG1 VAL 54 -7.855 -11.626 -6.279 458 HG12 VAL 54 2HG1 VAL 54 -6.518 -12.420 -7.144 459 HG13 VAL 54 3HG1 VAL 54 -7.085 -13.073 -5.589 460 HG21 VAL 54 3HG2 VAL 54 -5.765 -10.192 -3.583 461 HG22 VAL 54 1HG2 VAL 54 -7.418 -10.338 -4.221 462 HG23 VAL 54 2HG2 VAL 54 -6.632 -11.740 -3.457 463 H THR 55 H THR 55 -3.330 -10.894 -7.157 464 HA THR 55 HA THR 55 -3.848 -13.058 -9.113 465 HB THR 55 HB THR 55 -2.831 -11.522 -10.749 466 HG1 THR 55 1HG THR 55 -2.184 -9.422 -9.986 467 HG21 THR 55 3HG2 THR 55 -4.816 -10.123 -8.914 468 HG22 THR 55 1HG2 THR 55 -4.483 -9.692 -10.608 469 HG23 THR 55 2HG2 THR 55 -5.230 -11.261 -10.219 470 H GLU 56 H GLU 56 -1.419 -12.169 -6.906 471 HA GLU 56 HA GLU 56 1.001 -12.863 -8.033 472 HB2 GLU 56 1HB GLU 56 0.652 -12.327 -5.668 473 HB3 GLU 56 2HB GLU 56 -0.112 -13.916 -5.428 474 HG2 GLU 56 1HG GLU 56 2.123 -15.001 -6.069 475 HG3 GLU 56 2HG GLU 56 2.708 -13.328 -6.221 Start of MODEL 9 1 H1 THR 1 1H THR 1 2.264 21.401 -7.069 2 H2 THR 1 2H THR 1 1.425 20.356 -7.741 3 H3 THR 1 3H THR 1 0.843 21.192 -6.640 4 HA THR 1 HA THR 1 2.071 18.664 -6.272 5 HB THR 1 HB THR 1 3.766 19.296 -4.509 6 HG1 THR 1 1HG THR 1 3.034 21.474 -4.217 7 HG21 THR 1 3HG2 THR 1 4.311 20.328 -7.321 8 HG22 THR 1 1HG2 THR 1 5.545 19.885 -6.118 9 HG23 THR 1 2HG2 THR 1 4.464 18.638 -6.786 10 H THR 2 H THR 2 -0.410 19.295 -5.838 11 HA THR 2 HA THR 2 -1.118 20.316 -3.275 12 HB THR 2 HB THR 2 -2.504 18.172 -4.939 13 HG1 THR 2 1HG THR 2 -3.782 20.006 -5.587 14 HG21 THR 2 3HG2 THR 2 -3.539 19.917 -2.669 15 HG22 THR 2 1HG2 THR 2 -4.515 18.799 -3.649 16 HG23 THR 2 2HG2 THR 2 -3.241 18.166 -2.580 17 H TYR 3 H TYR 3 0.071 17.158 -4.247 18 HA TYR 3 HA TYR 3 -0.794 15.725 -1.911 19 HB2 TYR 3 1HB TYR 3 0.743 14.029 -2.583 20 HB3 TYR 3 2HB TYR 3 -0.071 14.680 -4.025 21 HD1 TYR 3 2HD TYR 3 1.178 16.109 -5.611 22 HD2 TYR 3 1HD TYR 3 3.122 14.283 -2.285 23 HE1 TYR 3 2HE TYR 3 3.371 16.567 -6.656 24 HE2 TYR 3 1HE TYR 3 5.329 14.734 -3.317 25 HH TYR 3 HH TYR 3 5.632 16.374 -6.471 26 H LYS 4 H LYS 4 1.858 17.902 -2.479 27 HA LYS 4 HA LYS 4 3.403 17.105 -0.149 28 HB2 LYS 4 1HB LYS 4 3.310 19.613 -1.824 29 HB3 LYS 4 2HB LYS 4 4.414 19.387 -0.446 30 HG2 LYS 4 1HG LYS 4 5.362 17.386 -1.603 31 HG3 LYS 4 2HG LYS 4 4.336 17.758 -3.009 32 HD2 LYS 4 1HD LYS 4 5.431 19.944 -3.243 33 HD3 LYS 4 2HD LYS 4 6.441 19.597 -1.820 34 HE2 LYS 4 1HE LYS 4 7.395 17.644 -2.997 35 HE3 LYS 4 2HE LYS 4 6.420 18.048 -4.428 36 HZ1 LYS 4 3HZ LYS 4 8.501 19.764 -3.232 37 HZ2 LYS 4 1HZ LYS 4 8.664 18.882 -4.617 38 HZ3 LYS 4 2HZ LYS 4 7.595 20.138 -4.560 39 H LEU 5 H LEU 5 0.600 19.092 -0.666 40 HA LEU 5 HA LEU 5 0.796 20.303 2.022 41 HB2 LEU 5 1HB LEU 5 -1.286 20.231 -0.062 42 HB3 LEU 5 2HB LEU 5 -1.489 21.259 1.374 43 HG LEU 5 HG LEU 5 0.634 21.553 -0.787 44 HD11 LEU 5 1HD1 LEU 5 -0.537 23.720 -1.262 45 HD12 LEU 5 2HD1 LEU 5 -1.631 22.334 -1.477 46 HD13 LEU 5 3HD1 LEU 5 -1.735 23.330 -0.007 47 HD21 LEU 5 3HD2 LEU 5 1.525 22.130 1.393 48 HD22 LEU 5 1HD2 LEU 5 1.304 23.603 0.419 49 HD23 LEU 5 2HD2 LEU 5 0.142 23.205 1.707 50 H ILE 6 H ILE 6 -0.090 17.330 0.812 51 HA ILE 6 HA ILE 6 -2.253 16.844 2.785 52 HB ILE 6 HB ILE 6 -0.809 14.924 0.901 53 HG12 ILE 6 1HG1 ILE 6 -1.937 16.626 -0.345 54 HG13 ILE 6 2HG1 ILE 6 -2.756 15.054 -0.504 55 HG21 ILE 6 1HG2 ILE 6 -2.735 13.443 1.352 56 HG22 ILE 6 2HG2 ILE 6 -1.857 13.824 2.851 57 HG23 ILE 6 3HG2 ILE 6 -3.393 14.643 2.487 58 HD11 ILE 6 3HD1 ILE 6 -3.651 17.355 1.268 59 HD12 ILE 6 1HD1 ILE 6 -4.386 16.888 -0.283 60 HD13 ILE 6 2HD1 ILE 6 -4.470 15.782 1.109 61 H LEU 7 H LEU 7 -2.002 16.327 4.762 62 HA LEU 7 HA LEU 7 0.685 15.951 5.815 63 HB2 LEU 7 1HB LEU 7 -2.033 15.737 6.931 64 HB3 LEU 7 2HB LEU 7 -0.629 15.637 8.021 65 HG LEU 7 HG LEU 7 -1.466 18.033 6.340 66 HD11 LEU 7 1HD1 LEU 7 -1.823 19.126 8.569 67 HD12 LEU 7 2HD1 LEU 7 -2.853 17.685 8.383 68 HD13 LEU 7 3HD1 LEU 7 -1.374 17.601 9.371 69 HD21 LEU 7 3HD2 LEU 7 0.949 17.853 6.443 70 HD22 LEU 7 1HD2 LEU 7 0.400 19.221 7.440 71 HD23 LEU 7 2HD2 LEU 7 0.890 17.695 8.214 72 H ASN 8 H ASN 8 -1.749 13.839 4.638 73 HA ASN 8 HA ASN 8 -0.550 11.504 6.052 74 HB2 ASN 8 1HB ASN 8 -3.085 11.504 4.246 75 HB3 ASN 8 2HB ASN 8 -2.071 10.279 5.046 76 HD21 ASN 8 2HD2 ASN 8 -4.924 11.274 5.350 77 HD22 ASN 8 1HD2 ASN 8 -5.095 11.538 7.054 78 H LEU 9 H LEU 9 0.582 13.232 3.721 79 HA LEU 9 HA LEU 9 0.889 11.506 1.470 80 HB2 LEU 9 1HB LEU 9 1.418 13.700 1.358 81 HB3 LEU 9 2HB LEU 9 2.667 13.715 2.623 82 HG LEU 9 HG LEU 9 4.026 12.162 1.171 83 HD11 LEU 9 1HD1 LEU 9 3.435 12.090 -1.265 84 HD12 LEU 9 2HD1 LEU 9 2.158 11.356 -0.269 85 HD13 LEU 9 3HD1 LEU 9 1.947 13.000 -0.916 86 HD21 LEU 9 3HD2 LEU 9 4.538 14.528 1.318 87 HD22 LEU 9 1HD2 LEU 9 4.822 13.947 -0.341 88 HD23 LEU 9 2HD2 LEU 9 3.360 14.892 0.035 89 H LYS 10 H LYS 10 3.177 12.002 4.178 90 HA LYS 10 HA LYS 10 4.727 9.656 3.363 91 HB2 LYS 10 1HB LYS 10 5.711 11.677 4.407 92 HB3 LYS 10 2HB LYS 10 4.833 11.286 5.905 93 HG2 LYS 10 1HG LYS 10 6.098 9.258 6.199 94 HG3 LYS 10 2HG LYS 10 6.856 9.440 4.600 95 HD2 LYS 10 1HD LYS 10 7.953 11.515 5.359 96 HD3 LYS 10 2HD LYS 10 7.205 11.319 6.961 97 HE2 LYS 10 1HE LYS 10 8.390 9.208 7.283 98 HE3 LYS 10 2HE LYS 10 9.100 9.341 5.658 99 HZ1 LYS 10 3HZ LYS 10 9.569 11.210 7.891 100 HZ2 LYS 10 1HZ LYS 10 10.632 10.066 7.359 101 HZ3 LYS 10 2HZ LYS 10 10.228 11.333 6.384 102 H GLN 11 H GLN 11 2.252 10.374 5.765 103 HA GLN 11 HA GLN 11 2.395 7.962 7.259 104 HB2 GLN 11 1HB GLN 11 0.981 9.900 7.818 105 HB3 GLN 11 2HB GLN 11 -0.043 9.539 6.408 106 HG2 GLN 11 1HG GLN 11 -1.283 8.412 8.366 107 HG3 GLN 11 2HG GLN 11 -0.310 7.379 7.293 108 HE21 GLN 11 2HE2 GLN 11 -0.478 5.868 9.132 109 HE22 GLN 11 1HE2 GLN 11 0.670 6.001 10.421 110 H ALA 12 H ALA 12 0.518 8.664 4.302 111 HA ALA 12 HA ALA 12 -0.496 5.991 4.054 112 HB1 ALA 12 1HB ALA 12 -1.062 6.655 1.750 113 HB2 ALA 12 2HB ALA 12 -1.538 7.904 2.925 114 HB3 ALA 12 3HB ALA 12 -0.077 8.126 1.934 115 H LYS 13 H LYS 13 2.395 7.601 2.780 116 HA LYS 13 HA LYS 13 3.325 5.515 1.090 117 HB2 LYS 13 1HB LYS 13 4.307 7.745 1.181 118 HB3 LYS 13 2HB LYS 13 4.886 7.428 2.834 119 HG2 LYS 13 1HG LYS 13 6.317 5.604 1.964 120 HG3 LYS 13 2HG LYS 13 5.764 5.976 0.314 121 HD2 LYS 13 1HD LYS 13 6.727 8.210 0.454 122 HD3 LYS 13 2HD LYS 13 7.195 7.929 2.149 123 HE2 LYS 13 1HE LYS 13 8.644 6.054 1.396 124 HE3 LYS 13 2HE LYS 13 8.232 6.446 -0.288 125 HZ1 LYS 13 3HZ LYS 13 9.602 8.247 1.605 126 HZ2 LYS 13 1HZ LYS 13 10.323 7.428 0.368 127 HZ3 LYS 13 2HZ LYS 13 9.220 8.612 0.043 128 H GLU 14 H GLU 14 3.898 6.024 4.574 129 HA GLU 14 HA GLU 14 5.564 3.658 4.816 130 HB2 GLU 14 1HB GLU 14 4.106 5.384 6.818 131 HB3 GLU 14 2HB GLU 14 5.126 3.995 7.266 132 HG2 GLU 14 1HG GLU 14 7.119 5.167 6.217 133 HG3 GLU 14 2HG GLU 14 5.962 6.440 5.764 134 H GLU 15 H GLU 15 2.123 4.316 5.243 135 HA GLU 15 HA GLU 15 1.487 1.709 6.338 136 HB2 GLU 15 1HB GLU 15 -0.127 3.807 4.890 137 HB3 GLU 15 2HB GLU 15 -0.819 2.283 5.499 138 HG2 GLU 15 1HG GLU 15 -0.300 2.955 7.843 139 HG3 GLU 15 2HG GLU 15 0.633 4.301 7.153 140 H ALA 16 H ALA 16 1.806 2.989 3.069 141 HA ALA 16 HA ALA 16 0.632 0.736 1.741 142 HB1 ALA 16 1HB ALA 16 1.801 1.582 -0.257 143 HB2 ALA 16 2HB ALA 16 0.978 2.891 0.622 144 HB3 ALA 16 3HB ALA 16 2.740 2.693 0.767 145 H ILE 17 H ILE 17 4.018 1.522 2.544 146 HA ILE 17 HA ILE 17 5.004 -1.021 1.456 147 HB ILE 17 HB ILE 17 7.157 -0.343 2.451 148 HG12 ILE 17 1HG1 ILE 17 5.672 2.001 3.607 149 HG13 ILE 17 2HG1 ILE 17 6.169 0.554 4.515 150 HG21 ILE 17 1HG2 ILE 17 7.485 1.792 1.250 151 HG22 ILE 17 2HG2 ILE 17 6.521 0.654 0.280 152 HG23 ILE 17 3HG2 ILE 17 5.723 1.997 1.131 153 HD11 ILE 17 3HD1 ILE 17 8.032 2.497 3.105 154 HD12 ILE 17 1HD1 ILE 17 7.753 2.408 4.860 155 HD13 ILE 17 2HD1 ILE 17 8.530 1.050 4.012 156 H LYS 18 H LYS 18 3.778 0.060 4.513 157 HA LYS 18 HA LYS 18 4.739 -2.162 6.077 158 HB2 LYS 18 1HB LYS 18 3.768 -0.138 7.044 159 HB3 LYS 18 2HB LYS 18 2.197 -0.541 6.310 160 HG2 LYS 18 1HG LYS 18 2.054 -2.566 7.683 161 HG3 LYS 18 2HG LYS 18 3.646 -2.209 8.394 162 HD2 LYS 18 1HD LYS 18 2.775 -0.133 9.356 163 HD3 LYS 18 2HD LYS 18 1.189 -0.437 8.608 164 HE2 LYS 18 1HE LYS 18 0.998 -2.528 9.917 165 HE3 LYS 18 2HE LYS 18 2.554 -2.166 10.695 166 HZ1 LYS 18 3HZ LYS 18 0.123 -0.505 10.871 167 HZ2 LYS 18 1HZ LYS 18 0.699 -1.491 12.062 168 HZ3 LYS 18 2HZ LYS 18 1.568 -0.169 11.593 169 H GLU 19 H GLU 19 1.744 -1.689 4.199 170 HA GLU 19 HA GLU 19 0.758 -4.359 4.805 171 HB2 GLU 19 1HB GLU 19 0.021 -2.311 2.712 172 HB3 GLU 19 2HB GLU 19 -0.818 -3.866 2.928 173 HG2 GLU 19 1HG GLU 19 -1.517 -3.151 5.245 174 HG3 GLU 19 2HG GLU 19 -0.523 -1.701 4.967 175 H LEU 20 H LEU 20 2.732 -2.949 2.264 176 HA LEU 20 HA LEU 20 2.630 -5.208 0.480 177 HB2 LEU 20 1HB LEU 20 4.505 -3.026 1.049 178 HB3 LEU 20 2HB LEU 20 4.965 -4.171 -0.233 179 HG LEU 20 HG LEU 20 2.447 -2.461 -0.214 180 HD11 LEU 20 1HD1 LEU 20 3.571 -1.190 -2.062 181 HD12 LEU 20 2HD1 LEU 20 4.508 -1.099 -0.553 182 HD13 LEU 20 3HD1 LEU 20 5.022 -2.200 -1.853 183 HD21 LEU 20 3HD2 LEU 20 2.151 -4.561 -1.389 184 HD22 LEU 20 1HD2 LEU 20 2.200 -3.216 -2.554 185 HD23 LEU 20 2HD2 LEU 20 3.622 -4.267 -2.347 186 H VAL 21 H VAL 21 4.836 -4.359 3.140 187 HA VAL 21 HA VAL 21 6.433 -6.767 2.983 188 HB VAL 21 HB VAL 21 5.753 -4.910 5.296 189 HG11 VAL 21 1HG1 VAL 21 7.578 -6.047 6.516 190 HG12 VAL 21 2HG1 VAL 21 6.256 -7.179 6.139 191 HG13 VAL 21 3HG1 VAL 21 7.753 -7.204 5.175 192 HG21 VAL 21 3HG2 VAL 21 7.089 -3.888 3.552 193 HG22 VAL 21 1HG2 VAL 21 8.058 -4.145 5.021 194 HG23 VAL 21 2HG2 VAL 21 8.251 -5.234 3.627 195 H ASP 22 H ASP 22 3.416 -6.029 4.696 196 HA ASP 22 HA ASP 22 3.190 -8.598 5.963 197 HB2 ASP 22 1HB ASP 22 1.017 -6.577 5.140 198 HB3 ASP 22 2HB ASP 22 0.846 -8.141 5.977 199 H ALA 23 H ALA 23 2.359 -7.450 2.738 200 HA ALA 23 HA ALA 23 0.980 -9.970 2.104 201 HB1 ALA 23 1HB ALA 23 0.687 -8.964 -0.126 202 HB2 ALA 23 2HB ALA 23 0.145 -7.863 1.161 203 HB3 ALA 23 3HB ALA 23 1.709 -7.593 0.360 204 H GLY 24 H GLY 24 4.173 -8.730 2.014 205 HA2 GLY 24 1HA GLY 24 6.119 -9.947 1.564 206 HA3 GLY 24 2HA GLY 24 5.123 -11.278 0.928 207 H ILE 25 H ILE 25 4.707 -7.969 -0.157 208 HA ILE 25 HA ILE 25 5.547 -8.821 -2.899 209 HB ILE 25 HB ILE 25 4.077 -6.299 -2.012 210 HG12 ILE 25 1HG1 ILE 25 2.755 -8.197 -1.434 211 HG13 ILE 25 2HG1 ILE 25 2.052 -7.330 -2.819 212 HG21 ILE 25 1HG2 ILE 25 3.487 -6.142 -4.408 213 HG22 ILE 25 2HG2 ILE 25 5.252 -6.128 -4.181 214 HG23 ILE 25 3HG2 ILE 25 4.439 -7.609 -4.738 215 HD11 ILE 25 3HD1 ILE 25 3.661 -9.905 -2.962 216 HD12 ILE 25 1HD1 ILE 25 1.895 -9.770 -3.123 217 HD13 ILE 25 2HD1 ILE 25 2.960 -9.038 -4.347 218 H ALA 26 H ALA 26 7.756 -8.809 -2.580 219 HA ALA 26 HA ALA 26 9.110 -6.493 -1.529 220 HB1 ALA 26 1HB ALA 26 11.154 -7.598 -2.351 221 HB2 ALA 26 2HB ALA 26 10.111 -8.732 -1.460 222 HB3 ALA 26 3HB ALA 26 10.158 -8.775 -3.239 223 H GLU 27 H GLU 27 8.393 -7.624 -4.817 224 HA GLU 27 HA GLU 27 10.065 -5.847 -6.245 225 HB2 GLU 27 1HB GLU 27 8.823 -7.736 -7.218 226 HB3 GLU 27 2HB GLU 27 7.307 -6.832 -6.993 227 HG2 GLU 27 1HG GLU 27 8.232 -5.050 -8.598 228 HG3 GLU 27 2HG GLU 27 9.638 -6.129 -8.724 229 H LYS 28 H LYS 28 6.723 -5.341 -5.119 230 HA LYS 28 HA LYS 28 6.705 -2.618 -6.243 231 HB2 LYS 28 1HB LYS 28 4.711 -3.957 -4.414 232 HB3 LYS 28 2HB LYS 28 4.470 -2.489 -5.389 233 HG2 LYS 28 1HG LYS 28 4.933 -5.286 -6.482 234 HG3 LYS 28 2HG LYS 28 3.359 -4.462 -6.383 235 HD2 LYS 28 1HD LYS 28 4.382 -2.609 -7.792 236 HD3 LYS 28 2HD LYS 28 5.766 -3.695 -8.058 237 HE2 LYS 28 1HE LYS 28 2.883 -4.375 -8.709 238 HE3 LYS 28 2HE LYS 28 4.064 -3.756 -9.886 239 HZ1 LYS 28 3HZ LYS 28 4.314 -6.274 -8.367 240 HZ2 LYS 28 1HZ LYS 28 3.903 -6.151 -9.961 241 HZ3 LYS 28 2HZ LYS 28 5.409 -5.701 -9.459 242 H TYR 29 H TYR 29 7.157 -4.151 -3.109 243 HA TYR 29 HA TYR 29 7.103 -1.851 -1.451 244 HB2 TYR 29 1HB TYR 29 7.337 -4.046 -0.523 245 HB3 TYR 29 2HB TYR 29 8.861 -4.307 -1.407 246 HD1 TYR 29 1HD TYR 29 7.281 -2.500 1.411 247 HD2 TYR 29 2HD TYR 29 10.940 -3.415 -0.579 248 HE1 TYR 29 1HE TYR 29 8.547 -1.589 3.336 249 HE2 TYR 29 2HE TYR 29 12.219 -2.511 1.332 250 HH TYR 29 HH TYR 29 12.114 -1.545 3.393 251 H PHE 30 H PHE 30 9.712 -3.084 -3.528 252 HA PHE 30 HA PHE 30 11.495 -0.896 -2.649 253 HB2 PHE 30 1HB PHE 30 11.819 -3.248 -4.549 254 HB3 PHE 30 2HB PHE 30 13.058 -1.988 -4.350 255 HD1 PHE 30 2HD PHE 30 13.732 -1.516 -1.847 256 HD2 PHE 30 1HD PHE 30 11.979 -5.134 -3.296 257 HE1 PHE 30 2HE PHE 30 14.671 -2.742 0.082 258 HE2 PHE 30 1HE PHE 30 12.916 -6.361 -1.366 259 HZ PHE 30 HZ PHE 30 14.262 -5.166 0.324 260 H LYS 31 H LYS 31 9.551 -1.772 -5.465 261 HA LYS 31 HA LYS 31 10.831 0.440 -7.008 262 HB2 LYS 31 1HB LYS 31 8.994 -1.800 -7.873 263 HB3 LYS 31 2HB LYS 31 9.733 -0.581 -8.939 264 HG2 LYS 31 1HG LYS 31 11.978 -1.431 -8.315 265 HG3 LYS 31 2HG LYS 31 11.205 -2.688 -7.319 266 HD2 LYS 31 1HD LYS 31 10.054 -3.548 -9.342 267 HD3 LYS 31 2HD LYS 31 10.900 -2.324 -10.320 268 HE2 LYS 31 1HE LYS 31 13.062 -3.287 -9.658 269 HE3 LYS 31 2HE LYS 31 12.220 -4.506 -8.674 270 HZ1 LYS 31 3HZ LYS 31 11.989 -4.209 -11.600 271 HZ2 LYS 31 1HZ LYS 31 12.852 -5.379 -10.819 272 HZ3 LYS 31 2HZ LYS 31 11.207 -5.338 -10.687 273 H LEU 32 H LEU 32 7.545 -0.846 -6.358 274 HA LEU 32 HA LEU 32 6.272 1.140 -7.952 275 HB2 LEU 32 1HB LEU 32 5.355 -0.911 -7.350 276 HB3 LEU 32 2HB LEU 32 5.152 -0.519 -5.626 277 HG LEU 32 HG LEU 32 3.654 1.398 -6.368 278 HD11 LEU 32 1HD1 LEU 32 2.624 1.163 -8.645 279 HD12 LEU 32 2HD1 LEU 32 4.377 1.446 -8.755 280 HD13 LEU 32 3HD1 LEU 32 3.723 -0.193 -8.985 281 HD21 LEU 32 3HD2 LEU 32 2.761 -0.634 -5.391 282 HD22 LEU 32 1HD2 LEU 32 1.680 -0.055 -6.682 283 HD23 LEU 32 2HD2 LEU 32 2.766 -1.435 -6.980 284 H ILE 33 H ILE 33 6.668 1.007 -4.404 285 HA ILE 33 HA ILE 33 5.287 3.564 -4.055 286 HB ILE 33 HB ILE 33 7.033 1.972 -2.120 287 HG12 ILE 33 1HG1 ILE 33 5.221 0.626 -2.828 288 HG13 ILE 33 2HG1 ILE 33 4.939 1.192 -1.166 289 HG21 ILE 33 1HG2 ILE 33 5.872 3.289 -0.381 290 HG22 ILE 33 2HG2 ILE 33 6.771 4.347 -1.491 291 HG23 ILE 33 3HG2 ILE 33 5.004 4.193 -1.644 292 HD11 ILE 33 3HD1 ILE 33 3.652 2.327 -3.673 293 HD12 ILE 33 1HD1 ILE 33 2.864 1.257 -2.492 294 HD13 ILE 33 2HD1 ILE 33 3.369 2.895 -2.011 295 H ALA 34 H ALA 34 8.634 2.564 -4.369 296 HA ALA 34 HA ALA 34 9.752 5.115 -3.660 297 HB1 ALA 34 1HB ALA 34 11.756 4.316 -4.850 298 HB2 ALA 34 2HB ALA 34 11.104 3.072 -3.758 299 HB3 ALA 34 3HB ALA 34 10.819 2.956 -5.511 300 H ASN 35 H ASN 35 8.229 3.883 -6.549 301 HA ASN 35 HA ASN 35 9.076 6.288 -8.092 302 HB2 ASN 35 1HB ASN 35 7.530 3.814 -9.177 303 HB3 ASN 35 2HB ASN 35 7.998 5.417 -9.795 304 HD21 ASN 35 2HD2 ASN 35 8.732 2.508 -10.387 305 HD22 ASN 35 1HD2 ASN 35 10.462 2.533 -10.467 306 H ALA 36 H ALA 36 6.853 5.737 -5.833 307 HA ALA 36 HA ALA 36 4.424 6.663 -7.023 308 HB1 ALA 36 1HB ALA 36 3.753 7.213 -4.716 309 HB2 ALA 36 2HB ALA 36 4.494 5.598 -4.814 310 HB3 ALA 36 3HB ALA 36 5.429 6.970 -4.173 311 H LYS 37 H LYS 37 3.566 8.613 -7.405 312 HA LYS 37 HA LYS 37 5.517 10.880 -7.325 313 HB2 LYS 37 1HB LYS 37 3.042 10.393 -8.986 314 HB3 LYS 37 2HB LYS 37 4.008 11.888 -9.013 315 HG2 LYS 37 1HG LYS 37 5.969 10.573 -9.778 316 HG3 LYS 37 2HG LYS 37 4.950 9.114 -9.819 317 HD2 LYS 37 1HD LYS 37 3.466 10.218 -11.467 318 HD3 LYS 37 2HD LYS 37 4.534 11.642 -11.452 319 HE2 LYS 37 1HE LYS 37 6.365 10.365 -12.345 320 HE3 LYS 37 2HE LYS 37 5.455 8.847 -12.173 321 HZ1 LYS 37 3HZ LYS 37 4.752 11.071 -13.979 322 HZ2 LYS 37 1HZ LYS 37 5.436 9.643 -14.439 323 HZ3 LYS 37 2HZ LYS 37 3.907 9.665 -13.818 324 H THR 38 H THR 38 2.121 10.066 -6.647 325 HA THR 38 HA THR 38 2.040 12.457 -4.841 326 HB THR 38 HB THR 38 -0.240 12.918 -5.494 327 HG1 THR 38 1HG THR 38 -1.222 11.625 -7.160 328 HG21 THR 38 3HG2 THR 38 1.458 12.464 -7.980 329 HG22 THR 38 1HG2 THR 38 0.040 13.533 -7.869 330 HG23 THR 38 2HG2 THR 38 1.509 13.904 -6.935 331 H VAL 39 H VAL 39 0.271 12.365 -3.251 332 HA VAL 39 HA VAL 39 0.210 9.794 -1.863 333 HB VAL 39 HB VAL 39 0.005 12.120 -0.784 334 HG11 VAL 39 1HG1 VAL 39 -2.290 13.027 -0.656 335 HG12 VAL 39 2HG1 VAL 39 -1.696 13.024 -2.334 336 HG13 VAL 39 3HG1 VAL 39 -2.849 11.779 -1.794 337 HG21 VAL 39 3HG2 VAL 39 -0.369 10.061 0.437 338 HG22 VAL 39 1HG2 VAL 39 -1.523 11.316 0.945 339 HG23 VAL 39 2HG2 VAL 39 -2.053 10.005 -0.135 340 H GLU 40 H GLU 40 -1.832 11.338 -4.230 341 HA GLU 40 HA GLU 40 -4.045 9.478 -3.897 342 HB2 GLU 40 1HB GLU 40 -3.148 11.239 -6.180 343 HB3 GLU 40 2HB GLU 40 -4.619 10.236 -6.212 344 HG2 GLU 40 1HG GLU 40 -5.531 11.571 -4.257 345 HG3 GLU 40 2HG GLU 40 -3.974 12.428 -4.284 346 H GLY 41 H GLY 41 -1.101 9.523 -5.873 347 HA2 GLY 41 1HA GLY 41 -1.547 7.089 -7.271 348 HA3 GLY 41 2HA GLY 41 0.041 7.746 -6.809 349 H VAL 42 H VAL 42 -0.132 7.719 -4.049 350 HA VAL 42 HA VAL 42 0.337 4.931 -3.387 351 HB VAL 42 HB VAL 42 -0.087 7.387 -1.635 352 HG11 VAL 42 1HG1 VAL 42 0.850 6.000 0.184 353 HG12 VAL 42 2HG1 VAL 42 -0.672 5.310 -0.429 354 HG13 VAL 42 3HG1 VAL 42 0.888 4.595 -0.907 355 HG21 VAL 42 3HG2 VAL 42 1.897 7.524 -3.021 356 HG22 VAL 42 1HG2 VAL 42 2.334 7.280 -1.314 357 HG23 VAL 42 2HG2 VAL 42 2.424 5.920 -2.458 358 H TRP 43 H TRP 43 -2.423 7.094 -2.878 359 HA TRP 43 HA TRP 43 -3.977 5.198 -1.376 360 HB2 TRP 43 1HB TRP 43 -4.719 7.600 -3.091 361 HB3 TRP 43 2HB TRP 43 -5.927 6.625 -2.219 362 HD1 TRP 43 HD TRP 43 -3.794 6.297 0.215 363 HE1 TRP 43 1HE TRP 43 -3.699 8.317 2.007 364 HE3 TRP 43 3HE TRP 43 -5.874 9.930 -2.666 365 HZ2 TRP 43 2HZ TRP 43 -4.440 10.979 2.010 366 HZ3 TRP 43 3HZ TRP 43 -6.173 12.160 -1.781 367 HH2 TRP 43 HH TRP 43 -5.486 12.739 0.506 368 H THR 44 H THR 44 -3.594 5.759 -4.853 369 HA THR 44 HA THR 44 -5.472 3.717 -5.663 370 HB THR 44 HB THR 44 -2.984 4.782 -7.063 371 HG1 THR 44 1HG THR 44 -4.594 6.001 -8.218 372 HG21 THR 44 3HG2 THR 44 -5.333 3.167 -8.131 373 HG22 THR 44 1HG2 THR 44 -4.012 3.852 -9.107 374 HG23 THR 44 2HG2 THR 44 -3.672 2.569 -7.920 375 H TYR 45 H TYR 45 -2.026 3.664 -4.844 376 HA TYR 45 HA TYR 45 -1.602 0.913 -5.593 377 HB2 TYR 45 1HB TYR 45 -0.201 2.664 -3.562 378 HB3 TYR 45 2HB TYR 45 0.368 1.071 -4.119 379 HD1 TYR 45 1HD TYR 45 -0.793 1.877 -7.045 380 HD2 TYR 45 2HD TYR 45 2.048 3.539 -4.333 381 HE1 TYR 45 1HE TYR 45 0.376 2.956 -8.944 382 HE2 TYR 45 2HE TYR 45 3.226 4.624 -6.216 383 HH TYR 45 HH TYR 45 2.109 4.275 -9.591 384 H LYS 46 H LYS 46 -2.977 2.431 -2.763 385 HA LYS 46 HA LYS 46 -2.941 0.059 -1.098 386 HB2 LYS 46 1HB LYS 46 -4.621 2.561 -1.139 387 HB3 LYS 46 2HB LYS 46 -4.861 1.252 0.043 388 HG2 LYS 46 1HG LYS 46 -2.528 1.556 0.822 389 HG3 LYS 46 2HG LYS 46 -2.337 2.902 -0.327 390 HD2 LYS 46 1HD LYS 46 -3.972 4.224 0.811 391 HD3 LYS 46 2HD LYS 46 -4.488 2.842 1.807 392 HE2 LYS 46 1HE LYS 46 -2.207 2.788 2.818 393 HE3 LYS 46 2HE LYS 46 -1.810 4.263 1.908 394 HZ1 LYS 46 3HZ LYS 46 -3.953 4.012 3.921 395 HZ2 LYS 46 1HZ LYS 46 -2.502 4.760 4.153 396 HZ3 LYS 46 2HZ LYS 46 -3.587 5.382 3.078 397 H ASP 47 H ASP 47 -4.813 1.019 -3.830 398 HA ASP 47 HA ASP 47 -6.774 -1.165 -3.319 399 HB2 ASP 47 1HB ASP 47 -6.617 0.853 -5.640 400 HB3 ASP 47 2HB ASP 47 -7.740 -0.498 -5.346 401 H GLU 48 H GLU 48 -3.913 -0.435 -5.174 402 HA GLU 48 HA GLU 48 -4.184 -2.647 -7.035 403 HB2 GLU 48 1HB GLU 48 -1.796 -1.070 -6.066 404 HB3 GLU 48 2HB GLU 48 -1.738 -2.302 -7.349 405 HG2 GLU 48 1HG GLU 48 -3.271 0.364 -7.482 406 HG3 GLU 48 2HG GLU 48 -1.769 -0.144 -8.289 407 H ILE 49 H ILE 49 -2.907 -2.303 -3.783 408 HA ILE 49 HA ILE 49 -1.482 -4.823 -3.721 409 HB ILE 49 HB ILE 49 -1.325 -2.854 -2.029 410 HG12 ILE 49 1HG1 ILE 49 -1.672 -5.604 -0.875 411 HG13 ILE 49 2HG1 ILE 49 -0.281 -5.108 -1.867 412 HG21 ILE 49 1HG2 ILE 49 -2.854 -3.043 -0.096 413 HG22 ILE 49 2HG2 ILE 49 -3.750 -2.672 -1.587 414 HG23 ILE 49 3HG2 ILE 49 -3.755 -4.328 -0.935 415 HD11 ILE 49 3HD1 ILE 49 -1.114 -3.863 0.777 416 HD12 ILE 49 1HD1 ILE 49 0.250 -4.978 0.535 417 HD13 ILE 49 2HD1 ILE 49 0.276 -3.366 -0.216 418 H LYS 50 H LYS 50 -4.826 -4.057 -3.658 419 HA LYS 50 HA LYS 50 -5.738 -6.454 -2.327 420 HB2 LYS 50 1HB LYS 50 -7.046 -4.686 -4.401 421 HB3 LYS 50 2HB LYS 50 -7.862 -5.990 -3.504 422 HG2 LYS 50 1HG LYS 50 -7.588 -4.824 -1.417 423 HG3 LYS 50 2HG LYS 50 -6.549 -3.597 -2.181 424 HD2 LYS 50 1HD LYS 50 -8.429 -2.832 -3.553 425 HD3 LYS 50 2HD LYS 50 -9.473 -4.086 -2.843 426 HE2 LYS 50 1HE LYS 50 -9.345 -3.075 -0.675 427 HE3 LYS 50 2HE LYS 50 -8.083 -1.946 -1.213 428 HZ1 LYS 50 3HZ LYS 50 -10.871 -1.984 -2.173 429 HZ2 LYS 50 1HZ LYS 50 -10.236 -0.890 -1.113 430 HZ3 LYS 50 2HZ LYS 50 -9.700 -0.935 -2.673 431 H THR 51 H THR 51 -4.401 -5.865 -5.447 432 HA THR 51 HA THR 51 -5.260 -8.603 -6.316 433 HB THR 51 HB THR 51 -4.650 -7.914 -8.591 434 HG1 THR 51 1HG THR 51 -4.053 -5.689 -8.925 435 HG21 THR 51 3HG2 THR 51 -6.425 -5.858 -7.214 436 HG22 THR 51 1HG2 THR 51 -6.393 -6.203 -8.960 437 HG23 THR 51 2HG2 THR 51 -6.950 -7.449 -7.816 438 H PHE 52 H PHE 52 -2.606 -6.713 -5.244 439 HA PHE 52 HA PHE 52 -0.477 -8.321 -6.346 440 HB2 PHE 52 1HB PHE 52 -0.642 -6.602 -3.835 441 HB3 PHE 52 2HB PHE 52 0.850 -7.365 -4.429 442 HD1 PHE 52 1HD PHE 52 -0.557 -6.728 -7.379 443 HD2 PHE 52 2HD PHE 52 0.892 -4.568 -3.991 444 HE1 PHE 52 1HE PHE 52 -0.124 -4.764 -8.819 445 HE2 PHE 52 2HE PHE 52 1.325 -2.601 -5.425 446 HZ PHE 52 HZ PHE 52 0.817 -2.701 -7.841 447 H THR 53 H THR 53 -2.534 -8.645 -3.499 448 HA THR 53 HA THR 53 -1.066 -10.926 -2.431 449 HB THR 53 HB THR 53 -3.048 -11.251 -0.996 450 HG1 THR 53 1HG THR 53 -4.818 -9.766 -1.276 451 HG21 THR 53 3HG2 THR 53 -2.271 -8.322 -1.289 452 HG22 THR 53 1HG2 THR 53 -3.022 -9.061 0.146 453 HG23 THR 53 2HG2 THR 53 -1.382 -9.544 -0.351 454 H VAL 54 H VAL 54 -3.432 -10.486 -4.920 455 HA VAL 54 HA VAL 54 -4.123 -13.351 -5.095 456 HB VAL 54 HB VAL 54 -4.477 -11.043 -7.054 457 HG11 VAL 54 1HG1 VAL 54 -6.004 -12.583 -8.243 458 HG12 VAL 54 2HG1 VAL 54 -4.348 -13.232 -8.200 459 HG13 VAL 54 3HG1 VAL 54 -5.588 -13.879 -7.098 460 HG21 VAL 54 3HG2 VAL 54 -5.780 -10.752 -5.034 461 HG22 VAL 54 1HG2 VAL 54 -6.832 -11.150 -6.414 462 HG23 VAL 54 2HG2 VAL 54 -6.444 -12.395 -5.203 463 H THR 55 H THR 55 -1.857 -11.156 -6.707 464 HA THR 55 HA THR 55 -0.848 -13.352 -8.393 465 HB THR 55 HB THR 55 0.779 -11.693 -9.202 466 HG1 THR 55 1HG THR 55 0.657 -9.546 -8.315 467 HG21 THR 55 3HG2 THR 55 -2.026 -10.534 -8.953 468 HG22 THR 55 1HG2 THR 55 -0.801 -10.049 -10.150 469 HG23 THR 55 2HG2 THR 55 -1.486 -11.691 -10.192 470 H GLU 56 H GLU 56 -0.276 -12.163 -5.243 471 HA GLU 56 HA GLU 56 2.389 -12.603 -4.693 472 HB2 GLU 56 1HB GLU 56 0.686 -12.065 -3.021 473 HB3 GLU 56 2HB GLU 56 0.043 -13.720 -3.149 474 HG2 GLU 56 1HG GLU 56 2.306 -14.577 -2.285 475 HG3 GLU 56 2HG GLU 56 2.736 -12.854 -2.188 Start of MODEL 10 1 H1 THR 1 1H THR 1 -8.092 -2.133 5.069 2 H2 THR 1 2H THR 1 -8.756 -1.121 5.956 3 H3 THR 1 3H THR 1 -8.911 -1.030 4.466 4 HA THR 1 HA THR 1 -6.917 0.313 5.969 5 HB THR 1 HB THR 1 -4.852 -0.467 4.854 6 HG1 THR 1 1HG THR 1 -5.044 -2.552 3.728 7 HG21 THR 1 3HG2 THR 1 -6.389 -2.713 6.218 8 HG22 THR 1 1HG2 THR 1 -4.622 -2.628 6.026 9 HG23 THR 1 2HG2 THR 1 -5.466 -1.436 7.043 10 H THR 2 H THR 2 -8.205 -0.647 2.863 11 HA THR 2 HA THR 2 -7.163 1.822 1.588 12 HB THR 2 HB THR 2 -8.262 0.989 -0.445 13 HG1 THR 2 1HG THR 2 -10.057 -0.031 0.606 14 HG21 THR 2 3HG2 THR 2 -6.735 -1.205 1.012 15 HG22 THR 2 1HG2 THR 2 -6.979 -1.100 -0.748 16 HG23 THR 2 2HG2 THR 2 -6.007 0.133 0.092 17 H TYR 3 H TYR 3 -9.849 0.843 3.411 18 HA TYR 3 HA TYR 3 -11.742 2.748 2.231 19 HB2 TYR 3 1HB TYR 3 -11.689 1.119 4.771 20 HB3 TYR 3 2HB TYR 3 -12.982 2.283 4.389 21 HD1 TYR 3 2HD TYR 3 -14.312 1.919 2.237 22 HD2 TYR 3 1HD TYR 3 -11.767 -1.073 3.898 23 HE1 TYR 3 2HE TYR 3 -15.484 0.198 0.905 24 HE2 TYR 3 1HE TYR 3 -12.932 -2.811 2.571 25 HH TYR 3 HH TYR 3 -15.630 -2.012 0.379 26 H LYS 4 H LYS 4 -9.330 2.777 4.775 27 HA LYS 4 HA LYS 4 -10.065 5.634 5.325 28 HB2 LYS 4 1HB LYS 4 -8.499 3.630 6.959 29 HB3 LYS 4 2HB LYS 4 -8.690 5.352 7.364 30 HG2 LYS 4 1HG LYS 4 -11.130 5.034 7.549 31 HG3 LYS 4 2HG LYS 4 -10.929 3.308 7.161 32 HD2 LYS 4 1HD LYS 4 -9.529 3.023 9.172 33 HD3 LYS 4 2HD LYS 4 -9.744 4.747 9.561 34 HE2 LYS 4 1HE LYS 4 -12.228 4.329 9.614 35 HE3 LYS 4 2HE LYS 4 -11.875 2.593 9.465 36 HZ1 LYS 4 3HZ LYS 4 -10.960 4.348 11.653 37 HZ2 LYS 4 1HZ LYS 4 -12.183 3.247 11.756 38 HZ3 LYS 4 2HZ LYS 4 -10.631 2.737 11.517 39 H LEU 5 H LEU 5 -9.051 6.572 3.603 40 HA LEU 5 HA LEU 5 -6.230 5.963 3.049 41 HB2 LEU 5 1HB LEU 5 -8.102 8.039 2.114 42 HB3 LEU 5 2HB LEU 5 -6.521 7.829 1.328 43 HG LEU 5 HG LEU 5 -8.830 5.847 1.353 44 HD11 LEU 5 1HD1 LEU 5 -8.828 6.241 -1.125 45 HD12 LEU 5 2HD1 LEU 5 -9.123 7.751 -0.230 46 HD13 LEU 5 3HD1 LEU 5 -7.515 7.425 -0.920 47 HD21 LEU 5 3HD2 LEU 5 -6.709 4.684 1.505 48 HD22 LEU 5 1HD2 LEU 5 -7.414 4.452 -0.113 49 HD23 LEU 5 2HD2 LEU 5 -6.072 5.601 0.119 50 H ILE 6 H ILE 6 -4.466 7.205 3.366 51 HA ILE 6 HA ILE 6 -4.779 9.203 5.579 52 HB ILE 6 HB ILE 6 -2.343 7.649 4.592 53 HG12 ILE 6 1HG1 ILE 6 -3.852 7.406 7.179 54 HG13 ILE 6 2HG1 ILE 6 -4.066 6.340 5.771 55 HG21 ILE 6 1HG2 ILE 6 -1.209 8.609 6.567 56 HG22 ILE 6 2HG2 ILE 6 -1.748 9.889 5.455 57 HG23 ILE 6 3HG2 ILE 6 -2.666 9.557 6.943 58 HD11 ILE 6 3HD1 ILE 6 -1.494 6.710 7.345 59 HD12 ILE 6 1HD1 ILE 6 -2.585 5.310 7.448 60 HD13 ILE 6 2HD1 ILE 6 -1.708 5.647 5.936 61 H LEU 7 H LEU 7 -4.506 11.236 5.343 62 HA LEU 7 HA LEU 7 -4.026 12.314 2.694 63 HB2 LEU 7 1HB LEU 7 -4.192 13.438 5.409 64 HB3 LEU 7 2HB LEU 7 -4.058 14.549 4.027 65 HG LEU 7 HG LEU 7 -6.333 12.597 4.552 66 HD11 LEU 7 1HD1 LEU 7 -7.698 14.674 4.893 67 HD12 LEU 7 2HD1 LEU 7 -6.363 14.576 6.066 68 HD13 LEU 7 3HD1 LEU 7 -6.233 15.656 4.657 69 HD21 LEU 7 3HD2 LEU 7 -5.910 12.862 2.180 70 HD22 LEU 7 1HD2 LEU 7 -7.430 13.678 2.621 71 HD23 LEU 7 2HD2 LEU 7 -5.956 14.634 2.342 72 H ASN 8 H ASN 8 -2.044 11.825 5.553 73 HA ASN 8 HA ASN 8 0.204 13.391 4.576 74 HB2 ASN 8 1HB ASN 8 -0.134 12.580 7.141 75 HB3 ASN 8 2HB ASN 8 0.229 11.084 6.248 76 HD21 ASN 8 2HD2 ASN 8 1.474 13.845 7.804 77 HD22 ASN 8 1HD2 ASN 8 3.154 13.566 7.484 78 H LEU 9 H LEU 9 1.531 12.988 3.014 79 HA LEU 9 HA LEU 9 1.325 10.656 1.388 80 HB2 LEU 9 1HB LEU 9 2.060 12.674 0.602 81 HB3 LEU 9 2HB LEU 9 3.527 12.777 1.605 82 HG LEU 9 HG LEU 9 4.365 10.703 0.448 83 HD11 LEU 9 1HD1 LEU 9 3.288 10.105 -1.738 84 HD12 LEU 9 2HD1 LEU 9 2.161 9.883 -0.379 85 HD13 LEU 9 3HD1 LEU 9 2.021 11.314 -1.428 86 HD21 LEU 9 3HD2 LEU 9 5.175 12.902 -0.175 87 HD22 LEU 9 1HD2 LEU 9 5.046 11.872 -1.620 88 HD23 LEU 9 2HD2 LEU 9 3.814 13.118 -1.301 89 H LYS 10 H LYS 10 3.758 11.530 3.843 90 HA LYS 10 HA LYS 10 5.408 9.230 3.433 91 HB2 LYS 10 1HB LYS 10 6.103 11.245 4.645 92 HB3 LYS 10 2HB LYS 10 4.944 10.856 5.940 93 HG2 LYS 10 1HG LYS 10 6.175 8.809 6.461 94 HG3 LYS 10 2HG LYS 10 7.308 9.131 5.127 95 HD2 LYS 10 1HD LYS 10 7.951 11.266 6.249 96 HD3 LYS 10 2HD LYS 10 6.906 10.819 7.618 97 HE2 LYS 10 1HE LYS 10 9.132 9.033 6.621 98 HE3 LYS 10 2HE LYS 10 9.405 10.303 7.836 99 HZ1 LYS 10 3HZ LYS 10 7.511 8.057 8.100 100 HZ2 LYS 10 1HZ LYS 10 8.971 8.174 8.858 101 HZ3 LYS 10 2HZ LYS 10 7.762 9.235 9.227 102 H GLN 11 H GLN 11 2.853 9.807 5.866 103 HA GLN 11 HA GLN 11 3.064 7.165 6.999 104 HB2 GLN 11 1HB GLN 11 0.847 9.220 6.990 105 HB3 GLN 11 2HB GLN 11 0.785 7.694 7.904 106 HG2 GLN 11 1HG GLN 11 2.935 8.621 9.266 107 HG3 GLN 11 2HG GLN 11 2.655 9.893 8.052 108 HE21 GLN 11 2HE2 GLN 11 2.779 10.327 10.852 109 HE22 GLN 11 1HE2 GLN 11 1.219 10.862 11.384 110 H ALA 12 H ALA 12 1.131 8.520 4.377 111 HA ALA 12 HA ALA 12 -0.529 6.208 4.003 112 HB1 ALA 12 1HB ALA 12 -0.956 7.150 1.766 113 HB2 ALA 12 2HB ALA 12 -1.077 8.394 3.033 114 HB3 ALA 12 3HB ALA 12 0.371 8.311 2.002 115 H LYS 13 H LYS 13 2.611 7.160 2.632 116 HA LYS 13 HA LYS 13 2.886 4.893 0.888 117 HB2 LYS 13 1HB LYS 13 4.879 6.696 2.257 118 HB3 LYS 13 2HB LYS 13 5.348 5.388 1.144 119 HG2 LYS 13 1HG LYS 13 4.215 6.450 -0.694 120 HG3 LYS 13 2HG LYS 13 3.490 7.663 0.387 121 HD2 LYS 13 1HD LYS 13 5.326 8.713 -0.744 122 HD3 LYS 13 2HD LYS 13 5.814 8.441 0.946 123 HE2 LYS 13 1HE LYS 13 7.023 6.413 0.276 124 HE3 LYS 13 2HE LYS 13 6.530 6.673 -1.413 125 HZ1 LYS 13 3HZ LYS 13 8.220 8.493 0.180 126 HZ2 LYS 13 1HZ LYS 13 8.756 7.476 -1.002 127 HZ3 LYS 13 2HZ LYS 13 7.763 8.736 -1.387 128 H GLU 14 H GLU 14 3.702 5.393 4.298 129 HA GLU 14 HA GLU 14 5.162 2.926 4.600 130 HB2 GLU 14 1HB GLU 14 3.688 4.692 6.556 131 HB3 GLU 14 2HB GLU 14 4.631 3.257 7.029 132 HG2 GLU 14 1HG GLU 14 6.726 4.340 6.194 133 HG3 GLU 14 2HG GLU 14 5.682 5.614 5.524 134 H GLU 15 H GLU 15 1.750 3.782 5.116 135 HA GLU 15 HA GLU 15 1.048 1.096 6.016 136 HB2 GLU 15 1HB GLU 15 -0.577 3.454 5.059 137 HB3 GLU 15 2HB GLU 15 -1.283 1.918 5.616 138 HG2 GLU 15 1HG GLU 15 0.366 3.864 7.339 139 HG3 GLU 15 2HG GLU 15 -1.383 3.546 7.321 140 H ALA 16 H ALA 16 1.083 2.791 2.928 141 HA ALA 16 HA ALA 16 -0.334 0.829 1.422 142 HB1 ALA 16 1HB ALA 16 0.832 1.783 -0.528 143 HB2 ALA 16 2HB ALA 16 0.195 3.057 0.540 144 HB3 ALA 16 3HB ALA 16 1.929 2.662 0.560 145 H ILE 17 H ILE 17 3.108 1.107 2.264 146 HA ILE 17 HA ILE 17 3.704 -1.442 0.857 147 HB ILE 17 HB ILE 17 6.025 -1.014 1.512 148 HG12 ILE 17 1HG1 ILE 17 4.943 1.334 3.049 149 HG13 ILE 17 2HG1 ILE 17 5.546 -0.190 3.741 150 HG21 ILE 17 1HG2 ILE 17 6.400 1.154 0.384 151 HG22 ILE 17 2HG2 ILE 17 5.182 0.187 -0.477 152 HG23 ILE 17 3HG2 ILE 17 4.672 1.542 0.556 153 HD11 ILE 17 3HD1 ILE 17 7.181 1.798 2.127 154 HD12 ILE 17 1HD1 ILE 17 7.245 1.587 3.892 155 HD13 ILE 17 2HD1 ILE 17 7.783 0.272 2.817 156 H LYS 18 H LYS 18 2.702 -0.446 3.950 157 HA LYS 18 HA LYS 18 3.669 -2.692 5.460 158 HB2 LYS 18 1HB LYS 18 2.584 -0.711 6.431 159 HB3 LYS 18 2HB LYS 18 1.049 -1.199 5.674 160 HG2 LYS 18 1HG LYS 18 1.008 -3.242 7.020 161 HG3 LYS 18 2HG LYS 18 2.573 -2.811 7.749 162 HD2 LYS 18 1HD LYS 18 1.575 -0.786 8.718 163 HD3 LYS 18 2HD LYS 18 0.010 -1.196 7.977 164 HE2 LYS 18 1HE LYS 18 -0.045 -3.291 9.277 165 HE3 LYS 18 2HE LYS 18 1.501 -2.850 10.038 166 HZ1 LYS 18 3HZ LYS 18 -1.015 -1.328 10.264 167 HZ2 LYS 18 1HZ LYS 18 -0.370 -2.292 11.436 168 HZ3 LYS 18 2HZ LYS 18 0.418 -0.919 10.968 169 H GLU 19 H GLU 19 0.837 -2.286 3.350 170 HA GLU 19 HA GLU 19 -0.155 -4.965 3.654 171 HB2 GLU 19 1HB GLU 19 -0.277 -2.967 1.396 172 HB3 GLU 19 2HB GLU 19 -1.076 -4.558 1.341 173 HG2 GLU 19 1HG GLU 19 -1.691 -2.511 3.547 174 HG3 GLU 19 2HG GLU 19 -2.462 -2.585 1.946 175 H LEU 20 H LEU 20 2.396 -3.583 1.643 176 HA LEU 20 HA LEU 20 2.887 -6.015 0.147 177 HB2 LEU 20 1HB LEU 20 4.457 -3.635 0.867 178 HB3 LEU 20 2HB LEU 20 5.190 -4.834 -0.223 179 HG LEU 20 HG LEU 20 2.647 -3.257 -0.773 180 HD11 LEU 20 1HD1 LEU 20 4.030 -2.081 -2.505 181 HD12 LEU 20 2HD1 LEU 20 4.691 -1.832 -0.870 182 HD13 LEU 20 3HD1 LEU 20 5.455 -3.005 -1.971 183 HD21 LEU 20 3HD2 LEU 20 2.621 -5.451 -1.805 184 HD22 LEU 20 1HD2 LEU 20 2.827 -4.197 -3.052 185 HD23 LEU 20 2HD2 LEU 20 4.225 -5.165 -2.522 186 H VAL 21 H VAL 21 4.017 -4.766 3.242 187 HA VAL 21 HA VAL 21 5.969 -6.847 3.752 188 HB VAL 21 HB VAL 21 4.253 -5.171 5.630 189 HG11 VAL 21 1HG1 VAL 21 5.813 -5.916 7.398 190 HG12 VAL 21 2HG1 VAL 21 4.932 -7.296 6.697 191 HG13 VAL 21 3HG1 VAL 21 6.622 -6.988 6.231 192 HG21 VAL 21 3HG2 VAL 21 5.815 -3.863 4.319 193 HG22 VAL 21 1HG2 VAL 21 6.323 -3.933 6.023 194 HG23 VAL 21 2HG2 VAL 21 7.151 -4.933 4.807 195 H ASP 22 H ASP 22 2.491 -6.630 4.467 196 HA ASP 22 HA ASP 22 2.332 -9.293 5.568 197 HB2 ASP 22 1HB ASP 22 0.174 -7.509 4.290 198 HB3 ASP 22 2HB ASP 22 0.020 -9.147 4.973 199 H ALA 23 H ALA 23 2.136 -8.009 2.288 200 HA ALA 23 HA ALA 23 1.351 -10.535 1.111 201 HB1 ALA 23 1HB ALA 23 1.952 -9.460 -1.023 202 HB2 ALA 23 2HB ALA 23 0.930 -8.401 -0.023 203 HB3 ALA 23 3HB ALA 23 2.681 -8.104 -0.132 204 H GLY 24 H GLY 24 4.381 -9.099 2.069 205 HA2 GLY 24 1HA GLY 24 6.446 -10.185 2.293 206 HA3 GLY 24 2HA GLY 24 5.773 -11.613 1.473 207 H ILE 25 H ILE 25 5.498 -8.372 0.144 208 HA ILE 25 HA ILE 25 7.176 -9.272 -2.176 209 HB ILE 25 HB ILE 25 5.055 -7.084 -1.971 210 HG12 ILE 25 1HG1 ILE 25 4.962 -9.695 -3.456 211 HG13 ILE 25 2HG1 ILE 25 4.224 -9.403 -1.865 212 HG21 ILE 25 1HG2 ILE 25 5.329 -6.913 -4.421 213 HG22 ILE 25 2HG2 ILE 25 6.850 -6.536 -3.580 214 HG23 ILE 25 3HG2 ILE 25 6.635 -8.120 -4.360 215 HD11 ILE 25 3HD1 ILE 25 3.531 -7.948 -4.440 216 HD12 ILE 25 1HD1 ILE 25 2.555 -9.218 -3.667 217 HD13 ILE 25 2HD1 ILE 25 2.793 -7.656 -2.848 218 H ALA 26 H ALA 26 9.118 -8.614 -2.327 219 HA ALA 26 HA ALA 26 9.923 -6.224 -0.778 220 HB1 ALA 26 1HB ALA 26 12.220 -6.973 -1.261 221 HB2 ALA 26 2HB ALA 26 11.253 -8.270 -0.522 222 HB3 ALA 26 3HB ALA 26 11.577 -8.287 -2.272 223 H GLU 27 H GLU 27 8.976 -6.988 -3.923 224 HA GLU 27 HA GLU 27 10.882 -5.277 -5.338 225 HB2 GLU 27 1HB GLU 27 9.853 -7.249 -6.368 226 HB3 GLU 27 2HB GLU 27 8.252 -6.487 -6.208 227 HG2 GLU 27 1HG GLU 27 9.053 -4.636 -7.784 228 HG3 GLU 27 2HG GLU 27 10.579 -5.548 -7.831 229 H LYS 28 H LYS 28 7.533 -4.939 -4.177 230 HA LYS 28 HA LYS 28 7.124 -2.621 -5.932 231 HB2 LYS 28 1HB LYS 28 5.381 -3.874 -3.804 232 HB3 LYS 28 2HB LYS 28 4.887 -2.581 -4.923 233 HG2 LYS 28 1HG LYS 28 5.751 -5.376 -5.741 234 HG3 LYS 28 2HG LYS 28 4.065 -4.823 -5.613 235 HD2 LYS 28 1HD LYS 28 4.639 -3.007 -7.276 236 HD3 LYS 28 2HD LYS 28 6.208 -3.816 -7.510 237 HE2 LYS 28 1HE LYS 28 3.525 -5.171 -7.891 238 HE3 LYS 28 2HE LYS 28 4.446 -4.408 -9.207 239 HZ1 LYS 28 3HZ LYS 28 5.389 -6.642 -7.525 240 HZ2 LYS 28 1HZ LYS 28 4.863 -6.770 -9.084 241 HZ3 LYS 28 2HZ LYS 28 6.244 -5.933 -8.746 242 H TYR 29 H TYR 29 7.712 -3.205 -2.510 243 HA TYR 29 HA TYR 29 7.068 -0.524 -1.640 244 HB2 TYR 29 1HB TYR 29 7.739 -1.194 0.413 245 HB3 TYR 29 2HB TYR 29 7.434 -2.782 -0.332 246 HD1 TYR 29 1HD TYR 29 10.125 -0.350 0.523 247 HD2 TYR 29 2HD TYR 29 9.184 -4.367 -0.555 248 HE1 TYR 29 1HE TYR 29 12.460 -1.020 1.009 249 HE2 TYR 29 2HE TYR 29 11.511 -5.052 -0.074 250 HH TYR 29 HH TYR 29 13.575 -4.385 0.617 251 H PHE 30 H PHE 30 9.738 -1.848 -3.345 252 HA PHE 30 HA PHE 30 11.398 0.560 -2.738 253 HB2 PHE 30 1HB PHE 30 12.568 -1.609 -2.670 254 HB3 PHE 30 2HB PHE 30 12.030 -1.968 -4.326 255 HD1 PHE 30 1HD PHE 30 14.057 0.405 -2.314 256 HD2 PHE 30 2HD PHE 30 13.273 -1.302 -6.151 257 HE1 PHE 30 1HE PHE 30 16.095 1.484 -3.208 258 HE2 PHE 30 2HE PHE 30 15.310 -0.228 -7.048 259 HZ PHE 30 HZ PHE 30 16.721 1.167 -5.577 260 H LYS 31 H LYS 31 9.760 -1.093 -5.417 261 HA LYS 31 HA LYS 31 10.665 1.065 -7.262 262 HB2 LYS 31 1HB LYS 31 9.195 -1.523 -7.783 263 HB3 LYS 31 2HB LYS 31 9.761 -0.372 -9.016 264 HG2 LYS 31 1HG LYS 31 12.102 -0.782 -8.262 265 HG3 LYS 31 2HG LYS 31 11.488 -2.016 -7.136 266 HD2 LYS 31 1HD LYS 31 10.518 -3.248 -9.067 267 HD3 LYS 31 2HD LYS 31 11.241 -2.045 -10.163 268 HE2 LYS 31 1HE LYS 31 13.476 -2.638 -9.369 269 HE3 LYS 31 2HE LYS 31 12.776 -3.805 -8.225 270 HZ1 LYS 31 3HZ LYS 31 12.580 -3.956 -11.165 271 HZ2 LYS 31 1HZ LYS 31 13.567 -4.880 -10.220 272 HZ3 LYS 31 2HZ LYS 31 11.929 -5.041 -10.103 273 H LEU 32 H LEU 32 7.612 -0.638 -6.476 274 HA LEU 32 HA LEU 32 5.989 1.042 -8.092 275 HB2 LEU 32 1HB LEU 32 5.322 -1.015 -7.356 276 HB3 LEU 32 2HB LEU 32 5.309 -0.634 -5.619 277 HG LEU 32 HG LEU 32 3.522 1.090 -6.124 278 HD11 LEU 32 1HD1 LEU 32 2.244 0.772 -8.258 279 HD12 LEU 32 2HD1 LEU 32 3.927 1.250 -8.579 280 HD13 LEU 32 3HD1 LEU 32 3.434 -0.449 -8.770 281 HD21 LEU 32 3HD2 LEU 32 2.990 -1.040 -5.097 282 HD22 LEU 32 1HD2 LEU 32 1.698 -0.571 -6.227 283 HD23 LEU 32 2HD2 LEU 32 2.881 -1.816 -6.695 284 H ILE 33 H ILE 33 6.432 1.187 -4.543 285 HA ILE 33 HA ILE 33 4.794 3.556 -4.275 286 HB ILE 33 HB ILE 33 5.487 1.836 -2.434 287 HG12 ILE 33 1HG1 ILE 33 5.423 3.580 -0.690 288 HG13 ILE 33 2HG1 ILE 33 5.562 4.806 -1.972 289 HG21 ILE 33 1HG2 ILE 33 7.496 2.498 -1.154 290 HG22 ILE 33 2HG2 ILE 33 7.924 2.009 -2.810 291 HG23 ILE 33 3HG2 ILE 33 7.870 3.735 -2.376 292 HD11 ILE 33 3HD1 ILE 33 3.309 2.789 -1.680 293 HD12 ILE 33 1HD1 ILE 33 3.219 4.518 -1.271 294 HD13 ILE 33 2HD1 ILE 33 3.449 4.014 -2.962 295 H ALA 34 H ALA 34 8.143 3.088 -5.066 296 HA ALA 34 HA ALA 34 8.892 5.843 -4.541 297 HB1 ALA 34 1HB ALA 34 10.924 5.283 -5.818 298 HB2 ALA 34 2HB ALA 34 10.566 4.049 -4.587 299 HB3 ALA 34 3HB ALA 34 10.194 3.734 -6.299 300 H ASN 35 H ASN 35 7.368 4.146 -7.170 301 HA ASN 35 HA ASN 35 7.859 6.235 -9.157 302 HB2 ASN 35 1HB ASN 35 5.815 3.894 -9.322 303 HB3 ASN 35 2HB ASN 35 6.235 5.298 -10.334 304 HD21 ASN 35 2HD2 ASN 35 6.451 2.348 -10.729 305 HD22 ASN 35 1HD2 ASN 35 8.099 2.081 -11.192 306 H ALA 36 H ALA 36 5.778 5.928 -6.483 307 HA ALA 36 HA ALA 36 3.554 7.459 -7.451 308 HB1 ALA 36 1HB ALA 36 3.050 7.824 -5.066 309 HB2 ALA 36 2HB ALA 36 3.437 6.118 -5.398 310 HB3 ALA 36 3HB ALA 36 4.648 7.173 -4.631 311 H LYS 37 H LYS 37 3.158 9.560 -7.639 312 HA LYS 37 HA LYS 37 5.367 11.437 -6.853 313 HB2 LYS 37 1HB LYS 37 3.323 11.663 -9.068 314 HB3 LYS 37 2HB LYS 37 4.523 12.900 -8.626 315 HG2 LYS 37 1HG LYS 37 6.342 11.359 -9.233 316 HG3 LYS 37 2HG LYS 37 5.145 10.115 -9.667 317 HD2 LYS 37 1HD LYS 37 4.228 11.612 -11.402 318 HD3 LYS 37 2HD LYS 37 5.442 12.841 -10.975 319 HE2 LYS 37 1HE LYS 37 7.242 11.323 -11.609 320 HE3 LYS 37 2HE LYS 37 6.062 10.042 -11.967 321 HZ1 LYS 37 3HZ LYS 37 6.267 12.626 -13.375 322 HZ2 LYS 37 1HZ LYS 37 6.780 11.171 -13.961 323 HZ3 LYS 37 2HZ LYS 37 5.171 11.439 -13.707 324 H THR 38 H THR 38 2.040 10.600 -6.498 325 HA THR 38 HA THR 38 1.747 12.935 -4.651 326 HB THR 38 HB THR 38 -0.558 13.267 -5.334 327 HG1 THR 38 1HG THR 38 -1.382 12.031 -7.125 328 HG21 THR 38 3HG2 THR 38 1.255 13.123 -7.775 329 HG22 THR 38 1HG2 THR 38 -0.244 14.074 -7.646 330 HG23 THR 38 2HG2 THR 38 1.160 14.482 -6.629 331 H VAL 39 H VAL 39 0.050 12.671 -3.053 332 HA VAL 39 HA VAL 39 0.076 10.047 -1.798 333 HB VAL 39 HB VAL 39 -0.297 12.344 -0.661 334 HG11 VAL 39 1HG1 VAL 39 -2.666 13.032 -0.492 335 HG12 VAL 39 2HG1 VAL 39 -2.089 13.127 -2.173 336 HG13 VAL 39 3HG1 VAL 39 -3.116 11.767 -1.660 337 HG21 VAL 39 3HG2 VAL 39 -0.468 10.227 0.507 338 HG22 VAL 39 1HG2 VAL 39 -1.729 11.356 1.056 339 HG23 VAL 39 2HG2 VAL 39 -2.146 10.032 -0.057 340 H GLU 40 H GLU 40 -1.958 11.524 -4.193 341 HA GLU 40 HA GLU 40 -4.101 9.563 -3.926 342 HB2 GLU 40 1HB GLU 40 -3.277 11.431 -6.153 343 HB3 GLU 40 2HB GLU 40 -4.709 10.375 -6.207 344 HG2 GLU 40 1HG GLU 40 -5.669 11.623 -4.222 345 HG3 GLU 40 2HG GLU 40 -4.140 12.532 -4.216 346 H GLY 41 H GLY 41 -1.164 9.835 -5.892 347 HA2 GLY 41 1HA GLY 41 -1.540 7.421 -7.374 348 HA3 GLY 41 2HA GLY 41 0.021 8.191 -7.003 349 H VAL 42 H VAL 42 -0.124 8.094 -4.177 350 HA VAL 42 HA VAL 42 0.661 5.364 -3.584 351 HB VAL 42 HB VAL 42 -0.104 7.693 -1.775 352 HG11 VAL 42 1HG1 VAL 42 0.944 6.371 0.032 353 HG12 VAL 42 2HG1 VAL 42 -0.466 5.524 -0.647 354 HG13 VAL 42 3HG1 VAL 42 1.180 5.015 -1.095 355 HG21 VAL 42 3HG2 VAL 42 1.885 8.110 -3.097 356 HG22 VAL 42 1HG2 VAL 42 2.303 7.866 -1.385 357 HG23 VAL 42 2HG2 VAL 42 2.586 6.563 -2.563 358 H TRP 43 H TRP 43 -2.342 7.168 -3.001 359 HA TRP 43 HA TRP 43 -3.715 5.058 -1.650 360 HB2 TRP 43 1HB TRP 43 -4.761 7.290 -3.444 361 HB3 TRP 43 2HB TRP 43 -5.785 6.231 -2.444 362 HD1 TRP 43 HD TRP 43 -3.368 6.443 -0.190 363 HE1 TRP 43 1HE TRP 43 -3.527 8.561 1.481 364 HE3 TRP 43 3HE TRP 43 -6.426 9.371 -3.004 365 HZ2 TRP 43 2HZ TRP 43 -4.802 11.011 1.435 366 HZ3 TRP 43 3HZ TRP 43 -7.099 11.549 -2.201 367 HH2 TRP 43 HH TRP 43 -6.332 12.413 -0.031 368 H THR 44 H THR 44 -3.486 5.827 -5.120 369 HA THR 44 HA THR 44 -5.194 3.683 -5.986 370 HB THR 44 HB THR 44 -2.899 5.069 -7.438 371 HG1 THR 44 1HG THR 44 -4.677 6.239 -8.379 372 HG21 THR 44 3HG2 THR 44 -5.185 3.359 -8.497 373 HG22 THR 44 1HG2 THR 44 -3.991 4.228 -9.489 374 HG23 THR 44 2HG2 THR 44 -3.471 2.884 -8.444 375 H TYR 45 H TYR 45 -1.682 3.868 -5.482 376 HA TYR 45 HA TYR 45 -1.092 1.221 -6.412 377 HB2 TYR 45 1HB TYR 45 0.243 2.994 -4.359 378 HB3 TYR 45 2HB TYR 45 0.903 1.436 -4.917 379 HD1 TYR 45 1HD TYR 45 -0.609 2.532 -7.745 380 HD2 TYR 45 2HD TYR 45 2.676 3.622 -5.256 381 HE1 TYR 45 1HE TYR 45 0.459 3.672 -9.666 382 HE2 TYR 45 2HE TYR 45 3.756 4.764 -7.162 383 HH TYR 45 HH TYR 45 2.246 4.867 -10.398 384 H LYS 46 H LYS 46 -1.963 2.441 -3.185 385 HA LYS 46 HA LYS 46 -1.594 -0.041 -1.809 386 HB2 LYS 46 1HB LYS 46 -1.870 2.222 -0.786 387 HB3 LYS 46 2HB LYS 46 -3.599 2.136 -1.200 388 HG2 LYS 46 1HG LYS 46 -3.866 0.172 0.238 389 HG3 LYS 46 2HG LYS 46 -2.130 0.201 0.623 390 HD2 LYS 46 1HD LYS 46 -2.498 2.558 1.509 391 HD3 LYS 46 2HD LYS 46 -4.243 2.244 1.364 392 HE2 LYS 46 1HE LYS 46 -3.898 0.201 2.800 393 HE3 LYS 46 2HE LYS 46 -2.232 0.759 3.076 394 HZ1 LYS 46 3HZ LYS 46 -4.677 2.254 3.774 395 HZ2 LYS 46 1HZ LYS 46 -3.705 1.452 4.840 396 HZ3 LYS 46 2HZ LYS 46 -3.132 2.771 4.030 397 H ASP 47 H ASP 47 -4.365 1.276 -3.576 398 HA ASP 47 HA ASP 47 -6.251 -0.753 -2.911 399 HB2 ASP 47 1HB ASP 47 -5.946 0.878 -5.504 400 HB3 ASP 47 2HB ASP 47 -7.191 -0.315 -5.062 401 H GLU 48 H GLU 48 -3.825 -0.646 -5.518 402 HA GLU 48 HA GLU 48 -4.480 -3.317 -6.469 403 HB2 GLU 48 1HB GLU 48 -2.073 -1.532 -6.842 404 HB3 GLU 48 2HB GLU 48 -2.282 -3.113 -7.633 405 HG2 GLU 48 1HG GLU 48 -4.333 -2.214 -8.821 406 HG3 GLU 48 2HG GLU 48 -4.061 -0.724 -7.887 407 H ILE 49 H ILE 49 -2.230 -1.988 -4.110 408 HA ILE 49 HA ILE 49 -0.696 -4.423 -3.749 409 HB ILE 49 HB ILE 49 -1.195 -2.015 -1.947 410 HG12 ILE 49 1HG1 ILE 49 1.294 -2.848 -3.405 411 HG13 ILE 49 2HG1 ILE 49 0.077 -1.729 -4.066 412 HG21 ILE 49 1HG2 ILE 49 0.648 -2.886 -0.551 413 HG22 ILE 49 2HG2 ILE 49 -0.724 -4.019 -0.579 414 HG23 ILE 49 3HG2 ILE 49 0.723 -4.349 -1.563 415 HD11 ILE 49 3HD1 ILE 49 1.679 -1.315 -1.516 416 HD12 ILE 49 1HD1 ILE 49 1.969 -0.504 -3.070 417 HD13 ILE 49 2HD1 ILE 49 0.463 -0.196 -2.175 418 H LYS 50 H LYS 50 -3.627 -3.179 -2.208 419 HA LYS 50 HA LYS 50 -4.008 -5.224 -0.298 420 HB2 LYS 50 1HB LYS 50 -5.441 -3.253 -0.549 421 HB3 LYS 50 2HB LYS 50 -6.057 -3.906 -2.086 422 HG2 LYS 50 1HG LYS 50 -7.050 -5.807 -0.914 423 HG3 LYS 50 2HG LYS 50 -6.382 -5.226 0.630 424 HD2 LYS 50 1HD LYS 50 -8.740 -4.621 0.457 425 HD3 LYS 50 2HD LYS 50 -7.721 -3.162 0.423 426 HE2 LYS 50 1HE LYS 50 -7.907 -3.058 -2.009 427 HE3 LYS 50 2HE LYS 50 -8.868 -4.555 -2.016 428 HZ1 LYS 50 3HZ LYS 50 -9.664 -2.012 -0.749 429 HZ2 LYS 50 1HZ LYS 50 -10.260 -2.604 -2.169 430 HZ3 LYS 50 2HZ LYS 50 -10.556 -3.401 -0.755 431 H THR 51 H THR 51 -4.960 -5.234 -3.742 432 HA THR 51 HA THR 51 -5.903 -7.921 -3.816 433 HB THR 51 HB THR 51 -4.474 -6.324 -5.984 434 HG1 THR 51 1HG THR 51 -6.669 -5.951 -6.657 435 HG21 THR 51 3HG2 THR 51 -6.233 -8.803 -6.161 436 HG22 THR 51 1HG2 THR 51 -5.577 -7.892 -7.541 437 HG23 THR 51 2HG2 THR 51 -4.476 -8.753 -6.438 438 H PHE 52 H PHE 52 -2.618 -6.620 -4.168 439 HA PHE 52 HA PHE 52 -1.328 -9.098 -4.771 440 HB2 PHE 52 1HB PHE 52 -0.258 -6.698 -3.223 441 HB3 PHE 52 2HB PHE 52 0.719 -7.991 -3.951 442 HD1 PHE 52 1HD PHE 52 -1.653 -7.786 -6.292 443 HD2 PHE 52 2HD PHE 52 1.415 -5.337 -4.607 444 HE1 PHE 52 1HE PHE 52 -1.520 -6.504 -8.401 445 HE2 PHE 52 2HE PHE 52 1.549 -4.051 -6.713 446 HZ PHE 52 HZ PHE 52 0.081 -4.636 -8.612 447 H THR 53 H THR 53 -2.081 -7.572 -1.643 448 HA THR 53 HA THR 53 -0.904 -9.593 -0.001 449 HB THR 53 HB THR 53 -3.365 -7.881 0.547 450 HG1 THR 53 1HG THR 53 -1.830 -6.514 1.563 451 HG21 THR 53 3HG2 THR 53 -1.483 -9.360 2.427 452 HG22 THR 53 1HG2 THR 53 -2.818 -8.293 2.920 453 HG23 THR 53 2HG2 THR 53 -3.165 -9.818 2.069 454 H VAL 54 H VAL 54 -4.139 -9.358 -1.447 455 HA VAL 54 HA VAL 54 -5.179 -11.744 -0.158 456 HB VAL 54 HB VAL 54 -5.985 -10.309 -2.721 457 HG11 VAL 54 1HG1 VAL 54 -8.075 -11.618 -2.556 458 HG12 VAL 54 2HG1 VAL 54 -6.666 -12.685 -2.766 459 HG13 VAL 54 3HG1 VAL 54 -7.413 -12.500 -1.160 460 HG21 VAL 54 3HG2 VAL 54 -6.266 -8.953 -0.733 461 HG22 VAL 54 1HG2 VAL 54 -7.844 -9.461 -1.381 462 HG23 VAL 54 2HG2 VAL 54 -7.171 -10.266 0.057 463 H THR 55 H THR 55 -3.486 -11.199 -3.217 464 HA THR 55 HA THR 55 -3.877 -13.987 -4.042 465 HB THR 55 HB THR 55 -2.369 -13.399 -5.914 466 HG1 THR 55 1HG THR 55 -1.610 -11.201 -6.005 467 HG21 THR 55 3HG2 THR 55 -4.460 -11.262 -5.343 468 HG22 THR 55 1HG2 THR 55 -3.772 -11.643 -6.939 469 HG23 THR 55 2HG2 THR 55 -4.772 -12.847 -6.090 470 H GLU 56 H GLU 56 -1.592 -12.248 -2.132 471 HA GLU 56 HA GLU 56 0.406 -14.437 -2.328 472 HB2 GLU 56 1HB GLU 56 0.302 -11.811 -0.848 473 HB3 GLU 56 2HB GLU 56 1.585 -13.020 -0.603 474 HG2 GLU 56 1HG GLU 56 1.004 -11.569 -3.256 475 HG3 GLU 56 2HG GLU 56 2.284 -11.272 -2.057
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