NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24709 | 2k49 | 15791 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 7.898 11.280 -2.643 2 H1 MET 1 1H MET 1 9.887 12.563 -2.191 3 H2 MET 1 2H MET 1 8.518 13.561 -2.186 4 H3 MET 1 3H MET 1 9.573 13.572 -3.511 5 HB2 MET 1 2HB MET 1 7.684 12.989 -5.139 6 HB3 MET 1 1HB MET 1 6.634 11.650 -4.700 7 HG2 MET 1 2HG MET 1 5.821 12.916 -2.774 8 HG3 MET 1 1HG MET 1 6.883 14.256 -3.206 9 HE1 MET 1 3HE MET 1 3.845 14.807 -2.744 10 HE2 MET 1 1HE MET 1 3.443 15.788 -4.154 11 HE3 MET 1 2HE MET 1 4.974 16.037 -3.314 12 H SER 2 H SER 2 9.701 9.848 -2.682 13 HA SER 2 HA SER 2 11.374 9.718 -5.061 14 HG SER 2 HG SER 2 12.000 10.099 -1.964 15 HB2 SER 2 2HB SER 2 11.439 8.046 -2.533 16 HB3 SER 2 1HB SER 2 12.668 8.046 -3.798 17 H GLY 3 H GLY 3 8.494 8.202 -4.062 18 HA2 GLY 3 2HA GLY 3 9.107 5.767 -5.632 19 HA3 GLY 3 1HA GLY 3 8.034 5.797 -4.247 20 H TRP 4 H TRP 4 6.940 4.580 -6.189 21 HA TRP 4 HA TRP 4 4.900 6.348 -7.272 22 HD1 TRP 4 HD1 TRP 4 5.211 3.205 -10.413 23 HE1 TRP 4 HE1 TRP 4 7.034 1.429 -10.712 24 HE3 TRP 4 HE3 TRP 4 9.009 5.490 -7.857 25 HZ2 TRP 4 HZ2 TRP 4 9.714 1.021 -9.952 26 HZ3 TRP 4 HZ3 TRP 4 11.174 4.331 -7.688 27 HH2 TRP 4 HH2 TRP 4 11.521 2.146 -8.716 28 HB2 TRP 4 2HB TRP 4 5.218 5.690 -9.581 29 HB3 TRP 4 1HB TRP 4 6.735 6.347 -8.976 30 H TYR 5 H TYR 5 3.255 4.990 -8.575 31 HA TYR 5 HA TYR 5 2.793 2.454 -7.135 32 HD1 TYR 5 HD1 TYR 5 1.491 6.147 -6.776 33 HD2 TYR 5 HD2 TYR 5 0.177 2.292 -5.519 34 HE1 TYR 5 HE1 TYR 5 1.118 7.016 -4.506 35 HE2 TYR 5 HE2 TYR 5 -0.199 3.156 -3.251 36 HH TYR 5 HH TYR 5 -0.161 6.501 -2.521 37 HB2 TYR 5 2HB TYR 5 0.876 4.411 -8.408 38 HB3 TYR 5 1HB TYR 5 0.384 2.809 -7.870 39 H GLU 6 H GLU 6 2.436 0.578 -8.203 40 HA GLU 6 HA GLU 6 2.114 0.630 -11.139 41 HB2 GLU 6 2HB GLU 6 3.969 -1.047 -9.474 42 HB3 GLU 6 1HB GLU 6 3.355 -1.679 -10.995 43 HG2 GLU 6 2HG GLU 6 4.351 0.150 -12.208 44 HG3 GLU 6 1HG GLU 6 4.857 0.916 -10.703 45 H LEU 7 H LEU 7 0.145 -0.106 -11.607 46 HA LEU 7 HA LEU 7 -1.186 -2.053 -9.870 47 HG LEU 7 HG LEU 7 -3.469 -2.663 -11.773 48 HB2 LEU 7 2HB LEU 7 -2.450 -0.071 -10.597 49 HB3 LEU 7 1HB LEU 7 -2.199 -0.521 -12.276 50 HD11 LEU 7 1HD1 LEU 7 -4.968 -2.635 -9.832 51 HD12 LEU 7 2HD1 LEU 7 -4.193 -1.158 -9.258 52 HD13 LEU 7 3HD1 LEU 7 -3.270 -2.659 -9.353 53 HD21 LEU 7 3HD2 LEU 7 -4.922 -0.031 -11.513 54 HD22 LEU 7 1HD2 LEU 7 -5.664 -1.577 -11.930 55 HD23 LEU 7 2HD2 LEU 7 -4.479 -0.850 -13.013 56 H SER 8 H SER 8 -1.343 -4.193 -10.399 57 HA SER 8 HA SER 8 -0.827 -4.968 -13.201 58 HG SER 8 HG SER 8 0.420 -5.670 -9.855 59 HB2 SER 8 2HB SER 8 0.503 -6.901 -12.413 60 HB3 SER 8 1HB SER 8 1.230 -5.369 -11.934 61 H LYS 9 H LYS 9 -1.635 -7.058 -13.834 62 HA LYS 9 HA LYS 9 -4.129 -7.754 -12.456 63 HB2 LYS 9 2HB LYS 9 -4.388 -7.280 -14.804 64 HB3 LYS 9 1HB LYS 9 -3.089 -8.389 -15.229 65 HG2 LYS 9 2HG LYS 9 -4.483 -10.264 -14.367 66 HG3 LYS 9 1HG LYS 9 -5.797 -9.117 -14.110 67 HD2 LYS 9 2HD LYS 9 -4.481 -9.560 -16.793 68 HD3 LYS 9 1HD LYS 9 -5.904 -10.452 -16.252 69 HE2 LYS 9 2HE LYS 9 -5.784 -7.440 -16.411 70 HE3 LYS 9 1HE LYS 9 -6.370 -8.464 -17.721 71 HZ1 LYS 9 3HZ LYS 9 -7.523 -8.381 -14.981 72 HZ2 LYS 9 1HZ LYS 9 -8.096 -9.303 -16.277 73 HZ3 LYS 9 2HZ LYS 9 -8.176 -7.617 -16.339 74 H SER 10 H SER 10 -4.536 -9.729 -11.601 75 HA SER 10 HA SER 10 -2.324 -11.642 -11.386 76 HG SER 10 HG SER 10 -3.002 -12.984 -8.787 77 HB2 SER 10 2HB SER 10 -3.365 -10.981 -9.286 78 HB3 SER 10 1HB SER 10 -4.956 -11.436 -9.894 79 H SER 11 H SER 11 -3.289 -14.037 -11.141 80 HA SER 11 HA SER 11 -4.009 -14.845 -13.746 81 HG SER 11 HG SER 11 -3.986 -17.352 -10.525 82 HB2 SER 11 2HB SER 11 -4.265 -17.106 -12.768 83 HB3 SER 11 1HB SER 11 -2.782 -16.322 -12.225 84 H ASN 12 H ASN 12 -5.968 -14.085 -10.951 85 HA ASN 12 HA ASN 12 -8.414 -15.156 -12.111 86 HB2 ASN 12 2HB ASN 12 -8.032 -13.422 -9.655 87 HB3 ASN 12 1HB ASN 12 -9.509 -14.270 -10.103 88 HD21 ASN 12 1HD2 ASN 12 -7.934 -14.496 -7.693 89 HD22 ASN 12 2HD2 ASN 12 -7.463 -16.156 -7.583 90 H ASP 13 H ASP 13 -6.725 -12.718 -13.165 91 HA ASP 13 HA ASP 13 -7.078 -10.779 -14.267 92 HB2 ASP 13 2HB ASP 13 -9.962 -11.595 -13.960 93 HB3 ASP 13 1HB ASP 13 -9.520 -10.054 -14.686 94 H GLN 14 H GLN 14 -7.752 -11.216 -11.085 95 HA GLN 14 HA GLN 14 -8.873 -8.721 -10.324 96 HB2 GLN 14 2HB GLN 14 -7.182 -10.668 -8.739 97 HB3 GLN 14 1HB GLN 14 -8.063 -9.309 -8.050 98 HG2 GLN 14 2HG GLN 14 -10.173 -10.309 -8.835 99 HG3 GLN 14 1HG GLN 14 -9.267 -11.687 -9.461 100 HE21 GLN 14 1HE2 GLN 14 -10.356 -10.040 -6.606 101 HE22 GLN 14 2HE2 GLN 14 -10.067 -11.336 -5.507 102 H PHE 15 H PHE 15 -7.868 -6.879 -9.467 103 HA PHE 15 HA PHE 15 -5.167 -6.437 -10.549 104 HD1 PHE 15 HD1 PHE 15 -5.639 -5.040 -13.004 105 HD2 PHE 15 HD2 PHE 15 -9.239 -5.057 -10.729 106 HE1 PHE 15 HE1 PHE 15 -6.938 -5.402 -15.060 107 HE2 PHE 15 HE2 PHE 15 -10.539 -5.417 -12.786 108 HZ PHE 15 HZ PHE 15 -9.388 -5.589 -14.953 109 HB2 PHE 15 2HB PHE 15 -7.207 -4.356 -9.725 110 HB3 PHE 15 1HB PHE 15 -5.753 -4.104 -10.686 111 H LYS 16 H LYS 16 -3.479 -5.908 -9.244 112 HA LYS 16 HA LYS 16 -4.059 -4.752 -6.607 113 HB2 LYS 16 2HB LYS 16 -2.508 -6.144 -5.433 114 HB3 LYS 16 1HB LYS 16 -3.608 -7.198 -6.302 115 HG2 LYS 16 2HG LYS 16 -0.865 -6.486 -7.324 116 HG3 LYS 16 1HG LYS 16 -1.177 -7.871 -6.280 117 HD2 LYS 16 2HD LYS 16 -2.762 -8.742 -7.982 118 HD3 LYS 16 1HD LYS 16 -2.328 -7.394 -9.037 119 HE2 LYS 16 2HE LYS 16 -1.095 -9.442 -9.619 120 HE3 LYS 16 1HE LYS 16 -0.010 -8.159 -9.088 121 HZ1 LYS 16 3HZ LYS 16 -0.943 -10.432 -7.415 122 HZ2 LYS 16 1HZ LYS 16 0.107 -9.206 -6.912 123 HZ3 LYS 16 2HZ LYS 16 0.589 -10.290 -8.116 124 H PHE 17 H PHE 17 -2.748 -3.087 -6.047 125 HA PHE 17 HA PHE 17 -0.593 -2.422 -7.942 126 HD1 PHE 17 HD2 PHE 17 -4.311 -1.293 -6.572 127 HD2 PHE 17 HD1 PHE 17 -0.891 0.688 -4.976 128 HE1 PHE 17 HE2 PHE 17 -5.642 -0.566 -4.633 129 HE2 PHE 17 HE1 PHE 17 -2.218 1.422 -3.036 130 HZ PHE 17 HZ PHE 17 -4.597 0.797 -2.862 131 HB2 PHE 17 2HB PHE 17 -0.910 -0.063 -7.253 132 HB3 PHE 17 1HB PHE 17 -2.350 -0.763 -7.974 133 H VAL 18 H VAL 18 1.409 -1.778 -7.239 134 HA VAL 18 HA VAL 18 1.973 -2.169 -4.366 135 HB VAL 18 HB VAL 18 4.227 -2.997 -5.027 136 HG11 VAL 18 1HG1 VAL 18 2.445 -4.568 -4.460 137 HG12 VAL 18 2HG1 VAL 18 3.498 -5.236 -5.708 138 HG13 VAL 18 3HG1 VAL 18 1.913 -4.592 -6.142 139 HG21 VAL 18 3HG2 VAL 18 3.072 -3.005 -7.826 140 HG22 VAL 18 1HG2 VAL 18 4.605 -3.735 -7.348 141 HG23 VAL 18 2HG2 VAL 18 4.391 -1.987 -7.246 142 H LEU 19 H LEU 19 2.973 -0.572 -3.337 143 HA LEU 19 HA LEU 19 3.946 1.745 -4.850 144 HG LEU 19 HG LEU 19 5.116 3.054 -2.147 145 HB2 LEU 19 2HB LEU 19 2.363 2.209 -3.079 146 HB3 LEU 19 1HB LEU 19 3.342 1.335 -1.918 147 HD11 LEU 19 1HD1 LEU 19 3.100 4.489 -3.876 148 HD12 LEU 19 2HD1 LEU 19 4.650 3.830 -4.401 149 HD13 LEU 19 3HD1 LEU 19 4.605 5.176 -3.263 150 HD21 LEU 19 3HD2 LEU 19 2.399 4.136 -1.392 151 HD22 LEU 19 1HD2 LEU 19 3.954 4.817 -0.911 152 HD23 LEU 19 2HD2 LEU 19 3.481 3.216 -0.344 153 H LYS 20 H LYS 20 6.064 2.064 -5.171 154 HA LYS 20 HA LYS 20 7.985 0.502 -3.574 155 HB2 LYS 20 2HB LYS 20 8.168 1.740 -6.317 156 HB3 LYS 20 1HB LYS 20 9.612 1.256 -5.438 157 HG2 LYS 20 2HG LYS 20 9.116 -0.555 -6.838 158 HG3 LYS 20 1HG LYS 20 8.560 -1.046 -5.242 159 HD2 LYS 20 2HD LYS 20 6.824 -1.702 -6.663 160 HD3 LYS 20 1HD LYS 20 6.254 -0.170 -6.002 161 HE2 LYS 20 2HE LYS 20 5.822 -0.223 -8.359 162 HE3 LYS 20 1HE LYS 20 7.088 0.960 -8.036 163 HZ1 LYS 20 3HZ LYS 20 7.384 -1.753 -9.195 164 HZ2 LYS 20 1HZ LYS 20 8.705 -0.861 -8.622 165 HZ3 LYS 20 2HZ LYS 20 7.778 -0.275 -9.907 166 H ALA 21 H ALA 21 9.690 1.424 -2.493 167 HA ALA 21 HA ALA 21 9.370 3.986 -1.395 168 HB1 ALA 21 3HB ALA 21 10.578 2.178 -0.273 169 HB2 ALA 21 1HB ALA 21 11.566 3.636 -0.383 170 HB3 ALA 21 2HB ALA 21 11.864 2.284 -1.476 171 H GLY 22 H GLY 22 11.811 2.873 -3.760 172 HA2 GLY 22 2HA GLY 22 11.707 5.212 -5.340 173 HA3 GLY 22 1HA GLY 22 13.041 5.357 -4.203 174 H ASN 23 H ASN 23 14.195 2.951 -4.116 175 HA ASN 23 HA ASN 23 15.538 2.805 -6.645 176 HB2 ASN 23 2HB ASN 23 16.909 1.057 -5.580 177 HB3 ASN 23 1HB ASN 23 16.754 2.477 -4.550 178 HD21 ASN 23 1HD2 ASN 23 15.594 2.326 -2.643 179 HD22 ASN 23 2HD2 ASN 23 15.105 0.811 -1.974 180 H GLY 24 H GLY 24 12.597 1.636 -6.028 181 HA2 GLY 24 2HA GLY 24 11.496 0.104 -7.533 182 HA3 GLY 24 1HA GLY 24 12.987 -0.822 -7.628 183 H GLU 25 H GLU 25 13.201 -0.430 -4.600 184 HA GLU 25 HA GLU 25 12.108 -2.843 -3.697 185 HB2 GLU 25 2HB GLU 25 13.952 -1.731 -2.569 186 HB3 GLU 25 1HB GLU 25 12.927 -0.361 -2.168 187 HG2 GLU 25 2HG GLU 25 11.573 -1.816 -0.721 188 HG3 GLU 25 1HG GLU 25 12.637 -3.170 -1.106 189 H VAL 26 H VAL 26 10.068 -3.414 -3.178 190 HA VAL 26 HA VAL 26 7.954 -1.427 -3.185 191 HB VAL 26 HB VAL 26 7.775 -4.426 -2.788 192 HG11 VAL 26 1HG1 VAL 26 5.401 -4.152 -3.378 193 HG12 VAL 26 2HG1 VAL 26 5.616 -2.402 -3.420 194 HG13 VAL 26 3HG1 VAL 26 5.816 -3.281 -1.903 195 HG21 VAL 26 3HG2 VAL 26 8.738 -3.827 -4.969 196 HG22 VAL 26 1HG2 VAL 26 7.349 -2.791 -5.299 197 HG23 VAL 26 2HG2 VAL 26 7.133 -4.535 -5.142 198 H ILE 27 H ILE 27 7.027 -0.540 -1.431 199 HA ILE 27 HA ILE 27 7.677 -1.639 1.224 200 HB ILE 27 HB ILE 27 6.937 0.603 2.092 201 HG12 ILE 27 2HG1 ILE 27 6.919 1.298 -0.862 202 HG13 ILE 27 1HG1 ILE 27 5.538 1.329 0.228 203 HG21 ILE 27 1HG2 ILE 27 9.236 0.637 0.137 204 HG22 ILE 27 2HG2 ILE 27 9.296 0.029 1.791 205 HG23 ILE 27 3HG2 ILE 27 9.003 1.742 1.492 206 HD11 ILE 27 3HD1 ILE 27 7.949 3.129 0.359 207 HD12 ILE 27 1HD1 ILE 27 6.595 3.151 1.491 208 HD13 ILE 27 2HD1 ILE 27 6.337 3.563 -0.205 209 H LEU 28 H LEU 28 4.943 -0.701 -0.816 210 HA LEU 28 HA LEU 28 3.123 -1.959 1.150 211 HG LEU 28 HG LEU 28 1.565 1.381 1.544 212 HB2 LEU 28 2HB LEU 28 2.821 0.588 -0.381 213 HB3 LEU 28 1HB LEU 28 1.384 -0.381 -0.133 214 HD11 LEU 28 1HD1 LEU 28 0.466 -0.702 2.169 215 HD12 LEU 28 2HD1 LEU 28 1.288 0.023 3.552 216 HD13 LEU 28 3HD1 LEU 28 2.006 -1.358 2.725 217 HD21 LEU 28 3HD2 LEU 28 4.121 0.040 2.408 218 HD22 LEU 28 1HD2 LEU 28 3.333 1.397 3.207 219 HD23 LEU 28 2HD2 LEU 28 4.005 1.595 1.589 220 H THR 29 H THR 29 1.947 -3.611 0.416 221 HA THR 29 HA THR 29 1.489 -3.897 -2.495 222 HB THR 29 HB THR 29 1.965 -6.167 -0.537 223 HG1 THR 29 HG1 THR 29 3.867 -4.912 -1.174 224 HG21 THR 29 3HG2 THR 29 0.423 -6.800 -2.327 225 HG22 THR 29 1HG2 THR 29 1.983 -7.592 -2.552 226 HG23 THR 29 2HG2 THR 29 1.555 -6.194 -3.538 227 H SER 30 H SER 30 -0.637 -3.433 -2.762 228 HA SER 30 HA SER 30 -2.609 -4.024 -0.740 229 HG SER 30 HG SER 30 -3.596 -1.280 -1.671 230 HB2 SER 30 2HB SER 30 -2.917 -3.016 -3.581 231 HB3 SER 30 1HB SER 30 -4.230 -3.132 -2.406 232 H GLU 31 H GLU 31 -4.396 -5.440 -0.936 233 HA GLU 31 HA GLU 31 -3.681 -7.966 -2.130 234 HB2 GLU 31 2HB GLU 31 -4.719 -7.649 0.163 235 HB3 GLU 31 1HB GLU 31 -6.235 -7.293 -0.653 236 HG2 GLU 31 2HG GLU 31 -6.357 -9.497 -1.555 237 HG3 GLU 31 1HG GLU 31 -4.713 -9.865 -1.038 238 H LEU 32 H LEU 32 -5.565 -9.259 -3.210 239 HA LEU 32 HA LEU 32 -5.873 -8.122 -5.748 240 HG LEU 32 HG LEU 32 -4.779 -10.810 -4.665 241 HB2 LEU 32 2HB LEU 32 -7.213 -10.533 -4.525 242 HB3 LEU 32 1HB LEU 32 -7.275 -10.130 -6.231 243 HD11 LEU 32 1HD1 LEU 32 -6.278 -12.376 -6.768 244 HD12 LEU 32 2HD1 LEU 32 -6.182 -12.758 -5.048 245 HD13 LEU 32 3HD1 LEU 32 -4.733 -12.834 -6.048 246 HD21 LEU 32 3HD2 LEU 32 -3.639 -10.763 -6.829 247 HD22 LEU 32 1HD2 LEU 32 -4.311 -9.185 -6.426 248 HD23 LEU 32 2HD2 LEU 32 -5.123 -10.214 -7.606 249 H TYR 33 H TYR 33 -7.147 -6.415 -6.167 250 HA TYR 33 HA TYR 33 -9.875 -6.236 -5.174 251 HD1 TYR 33 HD2 TYR 33 -6.640 -4.426 -5.091 252 HD2 TYR 33 HD1 TYR 33 -10.641 -2.976 -4.925 253 HE1 TYR 33 HE2 TYR 33 -6.057 -3.047 -3.139 254 HE2 TYR 33 HE1 TYR 33 -10.066 -1.596 -2.976 255 HH TYR 33 HH TYR 33 -6.843 -1.077 -1.960 256 HB2 TYR 33 2HB TYR 33 -8.246 -4.543 -7.080 257 HB3 TYR 33 1HB TYR 33 -9.954 -4.247 -6.783 258 H THR 34 H THR 34 -11.710 -6.807 -6.291 259 HA THR 34 HA THR 34 -11.406 -8.433 -8.663 260 HB THR 34 HB THR 34 -13.856 -8.750 -8.526 261 HG1 THR 34 HG1 THR 34 -14.964 -7.264 -7.518 262 HG21 THR 34 3HG2 THR 34 -13.896 -9.921 -6.365 263 HG22 THR 34 1HG2 THR 34 -12.426 -9.076 -5.879 264 HG23 THR 34 2HG2 THR 34 -12.384 -10.216 -7.225 265 H GLY 35 H GLY 35 -11.606 -5.156 -8.253 266 HA2 GLY 35 2HA GLY 35 -12.372 -4.774 -11.052 267 HA3 GLY 35 1HA GLY 35 -13.319 -3.918 -9.847 268 H LYS 36 H LYS 36 -11.399 -2.997 -12.026 269 HA LYS 36 HA LYS 36 -9.034 -2.040 -10.788 270 HB2 LYS 36 2HB LYS 36 -9.188 -2.313 -13.213 271 HB3 LYS 36 1HB LYS 36 -10.421 -1.060 -13.295 272 HG2 LYS 36 2HG LYS 36 -8.839 0.620 -12.593 273 HG3 LYS 36 1HG LYS 36 -7.597 -0.602 -12.327 274 HD2 LYS 36 2HD LYS 36 -8.861 0.037 -14.998 275 HD3 LYS 36 1HD LYS 36 -7.297 0.641 -14.448 276 HE2 LYS 36 2HE LYS 36 -6.500 -1.696 -14.262 277 HE3 LYS 36 1HE LYS 36 -8.049 -2.252 -14.894 278 HZ1 LYS 36 3HZ LYS 36 -6.090 -0.537 -16.322 279 HZ2 LYS 36 1HZ LYS 36 -7.605 -0.997 -16.924 280 HZ3 LYS 36 2HZ LYS 36 -6.413 -2.166 -16.637 281 H SER 37 H SER 37 -12.221 -0.594 -11.276 282 HA SER 37 HA SER 37 -11.790 2.033 -10.546 283 HG SER 37 HG SER 37 -13.892 3.093 -9.764 284 HB2 SER 37 2HB SER 37 -13.988 1.292 -11.268 285 HB3 SER 37 1HB SER 37 -14.152 0.258 -9.851 286 H GLY 38 H GLY 38 -12.434 -0.701 -8.334 287 HA2 GLY 38 2HA GLY 38 -12.210 0.762 -5.929 288 HA3 GLY 38 1HA GLY 38 -12.021 -0.977 -6.089 289 H ALA 39 H ALA 39 -9.761 -0.943 -7.840 290 HA ALA 39 HA ALA 39 -7.651 -0.706 -5.963 291 HB1 ALA 39 3HB ALA 39 -7.593 -2.301 -7.816 292 HB2 ALA 39 1HB ALA 39 -6.173 -1.255 -7.833 293 HB3 ALA 39 2HB ALA 39 -7.492 -0.971 -8.970 294 H MET 40 H MET 40 -8.347 1.222 -8.892 295 HA MET 40 HA MET 40 -6.300 3.117 -8.513 296 HB2 MET 40 2HB MET 40 -8.930 3.426 -9.979 297 HB3 MET 40 1HB MET 40 -7.548 4.505 -10.132 298 HG2 MET 40 2HG MET 40 -7.627 1.592 -10.894 299 HG3 MET 40 1HG MET 40 -7.658 2.964 -12.000 300 HE1 MET 40 3HE MET 40 -5.544 4.955 -10.683 301 HE2 MET 40 1HE MET 40 -5.633 4.590 -12.407 302 HE3 MET 40 2HE MET 40 -4.089 4.482 -11.560 303 H ASN 41 H ASN 41 -9.797 3.376 -7.756 304 HA ASN 41 HA ASN 41 -9.726 5.831 -6.426 305 HB2 ASN 41 2HB ASN 41 -11.811 4.637 -7.032 306 HB3 ASN 41 1HB ASN 41 -11.482 3.442 -5.784 307 HD21 ASN 41 1HD2 ASN 41 -11.856 3.955 -3.653 308 HD22 ASN 41 2HD2 ASN 41 -12.684 5.392 -3.169 309 H GLY 42 H GLY 42 -8.924 2.590 -5.273 310 HA2 GLY 42 2HA GLY 42 -8.468 3.161 -2.565 311 HA3 GLY 42 1HA GLY 42 -7.644 1.915 -3.494 312 H ILE 43 H ILE 43 -6.306 3.531 -5.378 313 HA ILE 43 HA ILE 43 -4.005 4.338 -3.940 314 HB ILE 43 HB ILE 43 -4.804 5.086 -6.769 315 HG12 ILE 43 2HG1 ILE 43 -3.053 2.817 -5.767 316 HG13 ILE 43 1HG1 ILE 43 -4.688 2.642 -6.397 317 HG21 ILE 43 1HG2 ILE 43 -3.074 6.568 -5.907 318 HG22 ILE 43 2HG2 ILE 43 -2.403 5.486 -7.128 319 HG23 ILE 43 3HG2 ILE 43 -2.102 5.178 -5.418 320 HD11 ILE 43 3HD1 ILE 43 -2.285 3.604 -7.936 321 HD12 ILE 43 1HD1 ILE 43 -3.924 3.461 -8.573 322 HD13 ILE 43 2HD1 ILE 43 -3.049 2.019 -8.060 323 H GLU 44 H GLU 44 -6.532 6.269 -5.567 324 HA GLU 44 HA GLU 44 -5.590 8.806 -4.810 325 HB2 GLU 44 2HB GLU 44 -8.458 7.956 -5.288 326 HB3 GLU 44 1HB GLU 44 -7.850 9.608 -5.321 327 HG2 GLU 44 2HG GLU 44 -6.389 8.987 -7.227 328 HG3 GLU 44 1HG GLU 44 -7.118 7.383 -7.220 329 H SER 45 H SER 45 -7.690 6.509 -3.131 330 HA SER 45 HA SER 45 -8.342 8.082 -0.891 331 HG SER 45 HG SER 45 -9.836 5.743 0.653 332 HB2 SER 45 2HB SER 45 -9.387 5.876 -1.383 333 HB3 SER 45 1HB SER 45 -7.873 5.081 -0.956 334 H VAL 46 H VAL 46 -5.590 5.855 -1.422 335 HA VAL 46 HA VAL 46 -4.244 6.251 0.987 336 HB VAL 46 HB VAL 46 -3.028 5.773 -1.751 337 HG11 VAL 46 1HG1 VAL 46 -1.332 6.610 -0.227 338 HG12 VAL 46 2HG1 VAL 46 -1.082 4.887 -0.508 339 HG13 VAL 46 3HG1 VAL 46 -1.816 5.437 0.999 340 HG21 VAL 46 3HG2 VAL 46 -3.758 3.819 0.441 341 HG22 VAL 46 1HG2 VAL 46 -2.970 3.416 -1.086 342 HG23 VAL 46 2HG2 VAL 46 -4.622 4.034 -1.081 343 H GLN 47 H GLN 47 -4.141 8.207 -1.980 344 HA GLN 47 HA GLN 47 -2.119 10.002 -1.244 345 HB2 GLN 47 2HB GLN 47 -4.562 10.475 -2.975 346 HB3 GLN 47 1HB GLN 47 -3.191 11.572 -2.867 347 HG2 GLN 47 2HG GLN 47 -1.717 9.842 -3.760 348 HG3 GLN 47 1HG GLN 47 -3.075 8.721 -3.842 349 HE21 GLN 47 1HE2 GLN 47 -1.327 9.753 -5.962 350 HE22 GLN 47 2HE2 GLN 47 -2.384 10.471 -7.122 351 H THR 48 H THR 48 -5.640 10.209 -0.657 352 HA THR 48 HA THR 48 -5.487 12.658 0.831 353 HB THR 48 HB THR 48 -7.671 10.554 0.812 354 HG1 THR 48 HG1 THR 48 -7.278 12.971 -0.651 355 HG21 THR 48 3HG2 THR 48 -7.766 13.418 1.791 356 HG22 THR 48 1HG2 THR 48 -7.810 11.985 2.817 357 HG23 THR 48 2HG2 THR 48 -9.135 12.310 1.699 358 H ASN 49 H ASN 49 -5.328 9.258 1.710 359 HA ASN 49 HA ASN 49 -5.536 9.684 4.542 360 HB2 ASN 49 2HB ASN 49 -4.611 7.284 2.944 361 HB3 ASN 49 1HB ASN 49 -4.860 7.283 4.689 362 HD21 ASN 49 1HD2 ASN 49 -6.185 5.872 2.403 363 HD22 ASN 49 2HD2 ASN 49 -7.868 6.173 2.610 364 H SER 50 H SER 50 -2.933 9.635 2.249 365 HA SER 50 HA SER 50 -0.725 8.922 3.695 366 HG SER 50 HG SER 50 1.437 9.729 2.070 367 HB2 SER 50 2HB SER 50 -0.552 9.384 1.339 368 HB3 SER 50 1HB SER 50 -0.965 11.079 1.584 369 HA PRO 51 HA PRO 51 -0.116 13.299 5.596 370 HB2 PRO 51 2HB PRO 51 -2.049 15.171 5.410 371 HB3 PRO 51 1HB PRO 51 -0.861 14.927 4.123 372 HG2 PRO 51 2HG PRO 51 -3.684 13.930 4.302 373 HG3 PRO 51 1HG PRO 51 -2.845 14.667 2.925 374 HD2 PRO 51 2HD PRO 51 -3.173 11.972 3.205 375 HD3 PRO 51 1HD PRO 51 -1.803 12.700 2.346 376 H ILE 52 H ILE 52 -3.093 11.580 5.783 377 HA ILE 52 HA ILE 52 -3.676 12.566 8.495 378 HB ILE 52 HB ILE 52 -5.400 10.815 6.724 379 HG12 ILE 52 2HG1 ILE 52 -5.629 13.789 7.286 380 HG13 ILE 52 1HG1 ILE 52 -5.028 13.093 5.785 381 HG21 ILE 52 1HG2 ILE 52 -7.198 11.378 8.302 382 HG22 ILE 52 2HG2 ILE 52 -6.052 12.289 9.286 383 HG23 ILE 52 3HG2 ILE 52 -5.871 10.544 9.112 384 HD11 ILE 52 3HD1 ILE 52 -7.214 12.053 5.411 385 HD12 ILE 52 1HD1 ILE 52 -7.315 13.809 5.536 386 HD13 ILE 52 2HD1 ILE 52 -7.809 12.800 6.895 387 H GLU 53 H GLU 53 -2.141 11.450 9.680 388 HA GLU 53 HA GLU 53 -1.404 8.769 9.339 389 HB2 GLU 53 2HB GLU 53 -1.244 10.453 11.851 390 HB3 GLU 53 1HB GLU 53 -0.341 8.974 11.544 391 HG2 GLU 53 2HG GLU 53 0.836 10.035 9.706 392 HG3 GLU 53 1HG GLU 53 -0.114 11.504 9.916 393 H ALA 54 H ALA 54 -4.106 10.145 11.077 394 HA ALA 54 HA ALA 54 -4.687 8.113 12.895 395 HB1 ALA 54 3HB ALA 54 -6.973 8.974 12.895 396 HB2 ALA 54 1HB ALA 54 -6.642 9.870 11.411 397 HB3 ALA 54 2HB ALA 54 -5.795 10.285 12.902 398 H ARG 55 H ARG 55 -4.647 7.803 9.547 399 HA ARG 55 HA ARG 55 -6.806 5.852 9.367 400 HE ARG 55 HE ARG 55 -9.383 9.052 8.504 401 HB2 ARG 55 2HB ARG 55 -4.931 6.969 7.270 402 HB3 ARG 55 1HB ARG 55 -6.266 5.872 6.942 403 HG2 ARG 55 2HG ARG 55 -6.597 8.596 8.194 404 HG3 ARG 55 1HG ARG 55 -6.738 8.278 6.465 405 HD2 ARG 55 2HD ARG 55 -8.603 6.785 6.846 406 HD3 ARG 55 1HD ARG 55 -8.412 6.937 8.591 407 HH11 ARG 55 1HH1 ARG 55 -8.932 7.849 5.304 408 HH12 ARG 55 2HH1 ARG 55 -10.090 8.937 4.622 409 HH21 ARG 55 1HH2 ARG 55 -10.872 10.437 7.602 410 HH22 ARG 55 2HH2 ARG 55 -11.209 10.336 5.909 411 H TYR 56 H TYR 56 -3.558 5.637 10.234 412 HA TYR 56 HA TYR 56 -2.854 3.333 8.662 413 HD1 TYR 56 HD2 TYR 56 -1.650 2.476 12.309 414 HD2 TYR 56 HD1 TYR 56 -0.728 6.479 11.196 415 HE1 TYR 56 HE2 TYR 56 -1.292 3.045 14.671 416 HE2 TYR 56 HE1 TYR 56 -0.357 7.055 13.556 417 HH TYR 56 HH TYR 56 -1.043 6.241 15.780 418 HB2 TYR 56 2HB TYR 56 -0.772 3.270 9.857 419 HB3 TYR 56 1HB TYR 56 -1.144 4.949 9.504 420 H ALA 57 H ALA 57 -2.032 1.307 9.719 421 HA ALA 57 HA ALA 57 -3.197 0.636 12.317 422 HB1 ALA 57 3HB ALA 57 -3.598 -1.103 9.877 423 HB2 ALA 57 1HB ALA 57 -4.848 -0.143 10.669 424 HB3 ALA 57 2HB ALA 57 -4.096 -1.490 11.523 425 H LYS 58 H LYS 58 -1.264 0.352 13.358 426 HA LYS 58 HA LYS 58 0.917 -1.043 11.973 427 HB2 LYS 58 2HB LYS 58 0.875 0.597 14.516 428 HB3 LYS 58 1HB LYS 58 2.309 -0.210 13.892 429 HG2 LYS 58 2HG LYS 58 2.374 1.173 11.967 430 HG3 LYS 58 1HG LYS 58 0.756 1.805 12.279 431 HD2 LYS 58 2HD LYS 58 2.443 3.457 12.875 432 HD3 LYS 58 1HD LYS 58 1.589 2.909 14.316 433 HE2 LYS 58 2HE LYS 58 3.471 1.363 14.790 434 HE3 LYS 58 1HE LYS 58 4.331 2.030 13.400 435 HZ1 LYS 58 3HZ LYS 58 3.486 3.520 15.827 436 HZ2 LYS 58 1HZ LYS 58 4.241 4.211 14.480 437 HZ3 LYS 58 2HZ LYS 58 5.069 3.079 15.421 438 H GLU 59 H GLU 59 1.413 -3.103 12.385 439 HA GLU 59 HA GLU 59 0.577 -4.303 14.942 440 HB2 GLU 59 2HB GLU 59 -1.109 -4.828 13.205 441 HB3 GLU 59 1HB GLU 59 0.150 -5.540 12.207 442 HG2 GLU 59 2HG GLU 59 -1.109 -7.273 13.323 443 HG3 GLU 59 1HG GLU 59 0.546 -7.245 13.929 444 H VAL 60 H VAL 60 1.784 -6.130 15.617 445 HA VAL 60 HA VAL 60 4.215 -6.749 14.063 446 HB VAL 60 HB VAL 60 4.126 -6.394 17.073 447 HG11 VAL 60 1HG1 VAL 60 5.637 -8.192 16.393 448 HG12 VAL 60 2HG1 VAL 60 6.540 -6.805 17.000 449 HG13 VAL 60 3HG1 VAL 60 6.444 -7.102 15.264 450 HG21 VAL 60 3HG2 VAL 60 5.634 -4.496 16.714 451 HG22 VAL 60 1HG2 VAL 60 4.091 -4.247 15.895 452 HG23 VAL 60 2HG2 VAL 60 5.515 -4.722 14.968 453 H ALA 61 H ALA 61 4.166 -8.839 13.528 454 HA ALA 61 HA ALA 61 2.402 -10.745 14.602 455 HB1 ALA 61 3HB ALA 61 3.608 -12.373 13.269 456 HB2 ALA 61 1HB ALA 61 4.964 -11.260 13.091 457 HB3 ALA 61 2HB ALA 61 3.409 -10.879 12.353 458 H LYS 62 H LYS 62 2.867 -12.701 15.824 459 HA LYS 62 HA LYS 62 4.165 -12.173 18.244 460 HB2 LYS 62 2HB LYS 62 3.853 -14.661 18.682 461 HB3 LYS 62 1HB LYS 62 2.413 -13.726 18.325 462 HG2 LYS 62 2HG LYS 62 2.164 -15.745 17.155 463 HG3 LYS 62 1HG LYS 62 2.610 -14.551 15.939 464 HD2 LYS 62 2HD LYS 62 3.790 -16.667 15.588 465 HD3 LYS 62 1HD LYS 62 4.919 -15.370 15.972 466 HE2 LYS 62 2HE LYS 62 5.123 -16.157 18.243 467 HE3 LYS 62 1HE LYS 62 3.870 -17.369 17.977 468 HZ1 LYS 62 3HZ LYS 62 6.100 -18.314 17.871 469 HZ2 LYS 62 1HZ LYS 62 6.495 -17.286 16.585 470 HZ3 LYS 62 2HZ LYS 62 5.301 -18.465 16.385 471 H ASN 63 H ASN 63 5.524 -13.370 15.311 472 HA ASN 63 HA ASN 63 7.952 -14.351 16.596 473 HB2 ASN 63 2HB ASN 63 7.016 -15.413 14.538 474 HB3 ASN 63 1HB ASN 63 7.342 -13.932 13.647 475 HD21 ASN 63 1HD2 ASN 63 9.442 -13.479 13.028 476 HD22 ASN 63 2HD2 ASN 63 10.721 -14.626 13.165 477 H ASP 64 H ASP 64 7.030 -11.487 16.826 478 HA ASP 64 HA ASP 64 7.868 -9.381 16.853 479 HB2 ASP 64 2HB ASP 64 10.411 -10.990 16.690 480 HB3 ASP 64 1HB ASP 64 10.444 -9.232 16.774 481 H LYS 65 H LYS 65 6.892 -10.263 14.373 482 HA LYS 65 HA LYS 65 8.687 -9.055 12.380 483 HB2 LYS 65 2HB LYS 65 6.046 -10.444 11.878 484 HB3 LYS 65 1HB LYS 65 7.291 -10.057 10.697 485 HG2 LYS 65 2HG LYS 65 8.799 -11.672 11.725 486 HG3 LYS 65 1HG LYS 65 7.595 -12.028 12.964 487 HD2 LYS 65 2HD LYS 65 7.482 -13.769 11.327 488 HD3 LYS 65 1HD LYS 65 6.046 -12.764 11.131 489 HE2 LYS 65 2HE LYS 65 7.002 -13.348 8.965 490 HE3 LYS 65 1HE LYS 65 7.105 -11.611 9.248 491 HZ1 LYS 65 3HZ LYS 65 9.144 -12.552 8.299 492 HZ2 LYS 65 1HZ LYS 65 9.336 -13.522 9.668 493 HZ3 LYS 65 2HZ LYS 65 9.415 -11.842 9.806 494 HA PRO 66 HA PRO 66 5.933 -5.494 13.059 495 HB2 PRO 66 2HB PRO 66 7.665 -3.571 12.350 496 HB3 PRO 66 1HB PRO 66 7.804 -4.420 13.894 497 HG2 PRO 66 2HG PRO 66 9.335 -4.847 11.356 498 HG3 PRO 66 1HG PRO 66 9.927 -4.820 13.027 499 HD2 PRO 66 2HD PRO 66 9.390 -7.125 11.612 500 HD3 PRO 66 1HD PRO 66 9.364 -7.017 13.383 501 H TYR 67 H TYR 67 4.411 -4.928 11.646 502 HA TYR 67 HA TYR 67 5.122 -3.896 9.023 503 HD1 TYR 67 HD2 TYR 67 4.366 -7.678 10.524 504 HD2 TYR 67 HD1 TYR 67 1.196 -5.635 8.542 505 HE1 TYR 67 HE2 TYR 67 2.735 -9.127 11.651 506 HE2 TYR 67 HE1 TYR 67 -0.444 -7.086 9.660 507 HH TYR 67 HH TYR 67 -0.543 -9.284 10.722 508 HB2 TYR 67 2HB TYR 67 3.469 -5.308 7.832 509 HB3 TYR 67 1HB TYR 67 4.780 -6.259 8.514 510 H PHE 68 H PHE 68 2.769 -3.344 7.896 511 HA PHE 68 HA PHE 68 0.827 -2.451 9.835 512 HD1 PHE 68 HD2 PHE 68 4.514 -1.062 8.670 513 HD2 PHE 68 HD1 PHE 68 1.053 0.917 7.157 514 HE1 PHE 68 HE2 PHE 68 5.844 -0.148 6.814 515 HE2 PHE 68 HE1 PHE 68 2.386 1.826 5.300 516 HZ PHE 68 HZ PHE 68 4.783 1.293 5.130 517 HB2 PHE 68 2HB PHE 68 1.019 -0.048 9.332 518 HB3 PHE 68 1HB PHE 68 2.484 -0.681 10.074 519 H ASN 69 H ASN 69 -1.125 -1.836 8.987 520 HA ASN 69 HA ASN 69 -1.481 -2.078 6.069 521 HB2 ASN 69 2HB ASN 69 -3.484 -2.574 8.293 522 HB3 ASN 69 1HB ASN 69 -3.816 -2.725 6.572 523 HD21 ASN 69 1HD2 ASN 69 -3.050 -4.521 5.464 524 HD22 ASN 69 2HD2 ASN 69 -2.402 -5.900 6.277 525 H LEU 70 H LEU 70 -3.166 -0.683 5.130 526 HA LEU 70 HA LEU 70 -3.544 1.837 6.631 527 HG LEU 70 HG LEU 70 -4.530 3.526 4.222 528 HB2 LEU 70 2HB LEU 70 -1.937 2.057 4.757 529 HB3 LEU 70 1HB LEU 70 -3.177 1.512 3.643 530 HD11 LEU 70 1HD1 LEU 70 -3.620 3.946 6.453 531 HD12 LEU 70 2HD1 LEU 70 -3.491 5.374 5.426 532 HD13 LEU 70 3HD1 LEU 70 -2.066 4.384 5.742 533 HD21 LEU 70 3HD2 LEU 70 -3.146 5.121 2.972 534 HD22 LEU 70 1HD2 LEU 70 -3.117 3.519 2.239 535 HD23 LEU 70 2HD2 LEU 70 -1.744 4.076 3.194 536 H LYS 71 H LYS 71 -5.604 2.503 6.907 537 HA LYS 71 HA LYS 71 -7.718 1.146 5.350 538 HB2 LYS 71 2HB LYS 71 -7.803 2.251 8.165 539 HB3 LYS 71 1HB LYS 71 -9.216 1.669 7.293 540 HG2 LYS 71 2HG LYS 71 -8.009 -0.555 7.100 541 HG3 LYS 71 1HG LYS 71 -6.848 0.086 8.269 542 HD2 LYS 71 2HD LYS 71 -8.714 0.502 9.850 543 HD3 LYS 71 1HD LYS 71 -9.832 -0.201 8.685 544 HE2 LYS 71 2HE LYS 71 -9.287 -1.839 10.372 545 HE3 LYS 71 1HE LYS 71 -8.605 -2.337 8.826 546 HZ1 LYS 71 3HZ LYS 71 -7.050 -0.916 10.911 547 HZ2 LYS 71 1HZ LYS 71 -6.452 -1.683 9.527 548 HZ3 LYS 71 2HZ LYS 71 -7.112 -2.600 10.783 549 H ALA 72 H ALA 72 -9.341 2.319 4.415 550 HA ALA 72 HA ALA 72 -9.062 5.190 4.180 551 HB1 ALA 72 3HB ALA 72 -9.793 3.834 2.267 552 HB2 ALA 72 1HB ALA 72 -10.990 5.059 2.691 553 HB3 ALA 72 2HB ALA 72 -11.247 3.377 3.152 554 H ALA 73 H ALA 73 -11.348 6.428 4.343 555 HA ALA 73 HA ALA 73 -11.846 6.801 7.050 556 HB1 ALA 73 3HB ALA 73 -13.668 7.495 4.745 557 HB2 ALA 73 1HB ALA 73 -12.336 8.482 5.351 558 HB3 ALA 73 2HB ALA 73 -13.746 8.182 6.369 559 H ASN 74 H ASN 74 -13.661 4.793 4.747 560 HA ASN 74 HA ASN 74 -15.692 4.094 6.667 561 HB2 ASN 74 2HB ASN 74 -16.008 4.219 4.148 562 HB3 ASN 74 1HB ASN 74 -15.129 2.697 4.044 563 HD21 ASN 74 1HD2 ASN 74 -16.171 0.813 4.570 564 HD22 ASN 74 2HD2 ASN 74 -17.843 0.739 4.984 565 H HIS 75 H HIS 75 -12.605 3.312 6.767 566 HA HIS 75 HA HIS 75 -11.486 1.895 8.157 567 HD1 HIS 75 HD1 HIS 75 -13.019 -1.614 9.676 568 HD2 HIS 75 HD2 HIS 75 -11.527 1.882 11.355 569 HE1 HIS 75 HE1 HIS 75 -11.662 -2.346 11.653 570 HE2 HIS 75 HE2 HIS 75 -10.934 -0.206 12.760 571 HB2 HIS 75 2HB HIS 75 -13.657 2.031 9.486 572 HB3 HIS 75 1HB HIS 75 -14.105 0.501 8.745 573 H GLN 76 H GLN 76 -12.121 1.309 5.323 574 HA GLN 76 HA GLN 76 -12.081 -1.604 5.143 575 HB2 GLN 76 2HB GLN 76 -12.235 -1.243 2.738 576 HB3 GLN 76 1HB GLN 76 -13.432 -0.249 3.563 577 HG2 GLN 76 2HG GLN 76 -11.647 1.615 3.431 578 HG3 GLN 76 1HG GLN 76 -10.889 0.592 2.215 579 HE21 GLN 76 1HE2 GLN 76 -13.589 2.593 2.992 580 HE22 GLN 76 2HE2 GLN 76 -14.248 2.691 1.397 581 H ILE 77 H ILE 77 -10.356 -2.767 4.072 582 HA ILE 77 HA ILE 77 -7.722 -1.669 4.662 583 HB ILE 77 HB ILE 77 -8.514 -4.401 3.617 584 HG12 ILE 77 2HG1 ILE 77 -9.289 -3.910 5.927 585 HG13 ILE 77 1HG1 ILE 77 -8.090 -5.196 5.881 586 HG21 ILE 77 1HG2 ILE 77 -6.214 -5.082 4.206 587 HG22 ILE 77 2HG2 ILE 77 -5.826 -3.401 4.579 588 HG23 ILE 77 3HG2 ILE 77 -6.247 -3.865 2.930 589 HD11 ILE 77 3HD1 ILE 77 -6.377 -3.650 6.624 590 HD12 ILE 77 1HD1 ILE 77 -7.735 -3.667 7.746 591 HD13 ILE 77 2HD1 ILE 77 -7.545 -2.327 6.616 592 H ILE 78 H ILE 78 -7.099 -0.209 3.131 593 HA ILE 78 HA ILE 78 -7.424 -0.870 0.290 594 HB ILE 78 HB ILE 78 -6.691 1.447 -0.151 595 HG12 ILE 78 2HG1 ILE 78 -6.619 1.676 2.875 596 HG13 ILE 78 1HG1 ILE 78 -5.231 1.773 1.796 597 HG21 ILE 78 1HG2 ILE 78 -8.701 2.554 0.726 598 HG22 ILE 78 2HG2 ILE 78 -8.953 1.206 1.838 599 HG23 ILE 78 3HG2 ILE 78 -9.062 0.945 0.097 600 HD11 ILE 78 3HD1 ILE 78 -5.860 3.968 2.520 601 HD12 ILE 78 1HD1 ILE 78 -7.515 3.722 1.966 602 HD13 ILE 78 2HD1 ILE 78 -6.198 3.807 0.798 603 H GLY 79 H GLY 79 -4.920 -0.581 2.720 604 HA2 GLY 79 2HA GLY 79 -2.948 -1.464 0.699 605 HA3 GLY 79 1HA GLY 79 -2.566 -0.111 1.750 606 H THR 80 H THR 80 -1.195 -2.681 1.463 607 HA THR 80 HA THR 80 -1.093 -3.397 4.304 608 HB THR 80 HB THR 80 -1.480 -5.447 2.100 609 HG1 THR 80 HG1 THR 80 -3.488 -5.116 2.709 610 HG21 THR 80 3HG2 THR 80 -0.865 -5.876 5.034 611 HG22 THR 80 1HG2 THR 80 0.192 -6.269 3.677 612 HG23 THR 80 2HG2 THR 80 -1.326 -7.140 3.896 613 H SER 81 H SER 81 0.986 -3.476 4.965 614 HA SER 81 HA SER 81 3.099 -3.358 2.950 615 HG SER 81 HG SER 81 5.256 -1.873 4.625 616 HB2 SER 81 2HB SER 81 3.174 -1.686 4.710 617 HB3 SER 81 1HB SER 81 3.189 -2.937 5.950 618 H GLN 82 H GLN 82 5.147 -4.528 3.306 619 HA GLN 82 HA GLN 82 4.602 -7.330 3.918 620 HB2 GLN 82 2HB GLN 82 7.079 -6.085 2.698 621 HB3 GLN 82 1HB GLN 82 6.756 -7.805 2.847 622 HG2 GLN 82 2HG GLN 82 6.229 -7.400 0.645 623 HG3 GLN 82 1HG GLN 82 4.651 -7.295 1.421 624 HE21 GLN 82 1HE2 GLN 82 7.232 -5.512 -0.077 625 HE22 GLN 82 2HE2 GLN 82 6.351 -4.046 -0.311 626 H MET 83 H MET 83 5.448 -8.442 5.563 627 HA MET 83 HA MET 83 6.297 -7.475 7.933 628 HB2 MET 83 2HB MET 83 7.371 -9.722 8.305 629 HB3 MET 83 1HB MET 83 5.724 -9.780 7.687 630 HG2 MET 83 2HG MET 83 6.649 -10.117 5.399 631 HG3 MET 83 1HG MET 83 8.258 -10.210 6.111 632 HE1 MET 83 3HE MET 83 8.537 -12.535 4.843 633 HE2 MET 83 1HE MET 83 6.882 -12.488 4.235 634 HE3 MET 83 2HE MET 83 7.472 -13.919 5.079 635 H TYR 84 H TYR 84 7.924 -6.176 8.519 636 HA TYR 84 HA TYR 84 10.433 -6.109 7.032 637 HD1 TYR 84 HD2 TYR 84 10.941 -3.370 6.174 638 HD2 TYR 84 HD1 TYR 84 7.378 -3.702 8.483 639 HE1 TYR 84 HE2 TYR 84 9.780 -1.899 4.585 640 HE2 TYR 84 HE1 TYR 84 6.209 -2.237 6.896 641 HH TYR 84 HH TYR 84 7.405 -1.483 3.856 642 HB2 TYR 84 2HB TYR 84 9.470 -4.455 9.383 643 HB3 TYR 84 1HB TYR 84 10.982 -4.193 8.520 644 H SER 85 H SER 85 12.498 -5.896 8.403 645 HA SER 85 HA SER 85 12.702 -8.256 10.086 646 HG SER 85 HG SER 85 15.881 -6.067 8.762 647 HB2 SER 85 2HB SER 85 15.137 -7.798 10.039 648 HB3 SER 85 1HB SER 85 14.443 -7.850 8.418 649 H SER 86 H SER 86 13.752 -4.859 10.472 650 HA SER 86 HA SER 86 13.604 -5.173 13.397 651 HG SER 86 HG SER 86 15.653 -2.682 11.042 652 HB2 SER 86 2HB SER 86 14.965 -3.158 13.532 653 HB3 SER 86 1HB SER 86 15.718 -4.286 12.404 654 H THR 87 H THR 87 12.616 -3.464 14.695 655 HA THR 87 HA THR 87 10.102 -2.553 13.769 656 HB THR 87 HB THR 87 9.997 -1.177 15.803 657 HG1 THR 87 HG1 THR 87 11.760 -0.583 16.839 658 HG21 THR 87 3HG2 THR 87 11.243 -3.887 16.310 659 HG22 THR 87 1HG2 THR 87 9.531 -3.574 16.010 660 HG23 THR 87 2HG2 THR 87 10.299 -2.953 17.472 661 H ALA 88 H ALA 88 13.229 -0.927 14.098 662 HA ALA 88 HA ALA 88 12.525 1.647 13.307 663 HB1 ALA 88 3HB ALA 88 14.722 1.033 14.240 664 HB2 ALA 88 1HB ALA 88 14.865 1.977 12.759 665 HB3 ALA 88 2HB ALA 88 15.131 0.234 12.723 666 H ALA 89 H ALA 89 13.429 -1.150 11.279 667 HA ALA 89 HA ALA 89 13.399 0.050 8.770 668 HB1 ALA 89 3HB ALA 89 12.424 -2.721 9.486 669 HB2 ALA 89 1HB ALA 89 14.088 -2.266 9.123 670 HB3 ALA 89 2HB ALA 89 12.855 -2.167 7.866 671 H ARG 90 H ARG 90 10.680 -1.197 10.664 672 HA ARG 90 HA ARG 90 8.646 -0.814 8.758 673 HE ARG 90 HE ARG 90 7.196 0.212 12.977 674 HB2 ARG 90 2HB ARG 90 8.335 -2.169 10.770 675 HB3 ARG 90 1HB ARG 90 8.499 -0.738 11.779 676 HG2 ARG 90 2HG ARG 90 6.459 0.170 10.512 677 HG3 ARG 90 1HG ARG 90 6.236 -1.491 9.952 678 HD2 ARG 90 2HD ARG 90 4.890 -1.054 11.938 679 HD3 ARG 90 1HD ARG 90 6.135 -2.259 12.277 680 HH11 ARG 90 1HH1 ARG 90 4.581 -1.794 13.988 681 HH12 ARG 90 2HH1 ARG 90 4.591 -1.178 15.600 682 HH21 ARG 90 1HH2 ARG 90 7.217 0.980 15.028 683 HH22 ARG 90 2HH2 ARG 90 6.080 0.373 16.190 684 H ASP 91 H ASP 91 9.578 1.286 11.507 685 HA ASP 91 HA ASP 91 7.702 3.311 10.850 686 HB2 ASP 91 2HB ASP 91 10.099 3.294 12.684 687 HB3 ASP 91 1HB ASP 91 9.003 4.668 12.545 688 H ASN 92 H ASN 92 11.145 2.938 10.038 689 HA ASN 92 HA ASN 92 11.384 5.449 8.713 690 HB2 ASN 92 2HB ASN 92 12.954 2.888 8.595 691 HB3 ASN 92 1HB ASN 92 13.258 4.152 7.408 692 HD21 ASN 92 1HD2 ASN 92 13.540 3.227 10.725 693 HD22 ASN 92 2HD2 ASN 92 14.534 4.551 11.217 694 H GLY 93 H GLY 93 10.397 2.219 7.635 695 HA2 GLY 93 2HA GLY 93 9.924 2.753 4.939 696 HA3 GLY 93 1HA GLY 93 9.003 1.614 5.912 697 H ILE 94 H ILE 94 7.722 3.187 7.707 698 HA ILE 94 HA ILE 94 5.507 4.226 6.398 699 HB ILE 94 HB ILE 94 6.540 4.963 9.151 700 HG12 ILE 94 2HG1 ILE 94 4.489 2.896 8.295 701 HG13 ILE 94 1HG1 ILE 94 6.133 2.537 8.814 702 HG21 ILE 94 1HG2 ILE 94 4.214 5.620 9.643 703 HG22 ILE 94 2HG2 ILE 94 3.789 5.340 7.954 704 HG23 ILE 94 3HG2 ILE 94 4.930 6.617 8.377 705 HD11 ILE 94 3HD1 ILE 94 3.967 3.777 10.500 706 HD12 ILE 94 1HD1 ILE 94 5.616 3.447 11.029 707 HD13 ILE 94 2HD1 ILE 94 4.547 2.114 10.593 708 H LYS 95 H LYS 95 8.350 6.022 7.631 709 HA LYS 95 HA LYS 95 7.498 8.603 6.941 710 HB2 LYS 95 2HB LYS 95 10.326 7.516 6.891 711 HB3 LYS 95 1HB LYS 95 9.889 9.221 6.888 712 HG2 LYS 95 2HG LYS 95 8.761 8.846 9.101 713 HG3 LYS 95 1HG LYS 95 9.455 7.224 9.104 714 HD2 LYS 95 2HD LYS 95 11.020 9.810 8.984 715 HD3 LYS 95 1HD LYS 95 10.809 8.806 10.417 716 HE2 LYS 95 2HE LYS 95 11.985 6.967 9.301 717 HE3 LYS 95 1HE LYS 95 12.184 7.965 7.859 718 HZ1 LYS 95 3HZ LYS 95 14.163 7.886 9.326 719 HZ2 LYS 95 1HZ LYS 95 13.276 8.681 10.528 720 HZ3 LYS 95 2HZ LYS 95 13.591 9.450 9.056 721 H SER 96 H SER 96 9.251 6.202 4.993 722 HA SER 96 HA SER 96 9.437 7.720 2.617 723 HG SER 96 HG SER 96 11.063 5.256 3.966 724 HB2 SER 96 2HB SER 96 9.243 4.706 2.928 725 HB3 SER 96 1HB SER 96 9.785 5.554 1.479 726 H VAL 97 H VAL 97 6.969 5.428 3.749 727 HA VAL 97 HA VAL 97 5.273 5.385 1.545 728 HB VAL 97 HB VAL 97 4.483 5.263 4.462 729 HG11 VAL 97 1HG1 VAL 97 2.517 3.998 3.672 730 HG12 VAL 97 2HG1 VAL 97 2.999 4.315 2.006 731 HG13 VAL 97 3HG1 VAL 97 2.536 5.653 3.057 732 HG21 VAL 97 3HG2 VAL 97 6.196 3.614 3.837 733 HG22 VAL 97 1HG2 VAL 97 5.126 3.005 2.576 734 HG23 VAL 97 2HG2 VAL 97 4.663 2.866 4.269 735 H MET 98 H MET 98 5.226 7.621 4.328 736 HA MET 98 HA MET 98 2.997 9.119 3.485 737 HB2 MET 98 2HB MET 98 5.345 9.979 5.192 738 HB3 MET 98 1HB MET 98 3.857 10.899 5.001 739 HG2 MET 98 2HG MET 98 2.615 8.938 5.924 740 HG3 MET 98 1HG MET 98 4.171 8.187 6.275 741 HE1 MET 98 3HE MET 98 5.914 10.735 7.133 742 HE2 MET 98 1HE MET 98 5.944 9.212 8.020 743 HE3 MET 98 2HE MET 98 5.681 10.729 8.882 744 H GLU 99 H GLU 99 6.463 9.475 2.785 745 HA GLU 99 HA GLU 99 6.253 11.946 1.411 746 HB2 GLU 99 2HB GLU 99 8.383 10.993 2.280 747 HB3 GLU 99 1HB GLU 99 8.331 9.785 1.000 748 HG2 GLU 99 2HG GLU 99 8.204 11.808 -0.599 749 HG3 GLU 99 1HG GLU 99 8.764 12.745 0.782 750 H ASN 100 H ASN 100 6.376 8.589 0.139 751 HA ASN 100 HA ASN 100 6.048 9.629 -2.577 752 HB2 ASN 100 2HB ASN 100 6.490 7.260 -3.272 753 HB3 ASN 100 1HB ASN 100 7.792 8.017 -2.366 754 HD21 ASN 100 1HD2 ASN 100 8.632 6.031 -1.764 755 HD22 ASN 100 2HD2 ASN 100 7.867 5.034 -0.583 756 H GLY 101 H GLY 101 4.194 7.839 -0.209 757 HA2 GLY 101 2HA GLY 101 2.236 6.673 -1.809 758 HA3 GLY 101 1HA GLY 101 1.986 7.212 -0.161 759 H LYS 102 H LYS 102 2.756 10.017 -1.318 760 HA LYS 102 HA LYS 102 0.019 10.726 -2.107 761 HB2 LYS 102 2HB LYS 102 0.630 13.016 -1.516 762 HB3 LYS 102 1HB LYS 102 0.985 11.920 -0.188 763 HG2 LYS 102 2HG LYS 102 3.349 11.942 -0.772 764 HG3 LYS 102 1HG LYS 102 3.013 12.979 -2.156 765 HD2 LYS 102 2HD LYS 102 3.791 14.452 -0.504 766 HD3 LYS 102 1HD LYS 102 2.040 14.640 -0.461 767 HE2 LYS 102 2HE LYS 102 3.639 12.897 1.416 768 HE3 LYS 102 1HE LYS 102 3.096 14.528 1.784 769 HZ1 LYS 102 3HZ LYS 102 1.407 12.130 1.341 770 HZ2 LYS 102 1HZ LYS 102 0.784 13.703 1.435 771 HZ3 LYS 102 2HZ LYS 102 1.582 13.028 2.761 772 H THR 103 H THR 103 2.344 9.626 -3.875 773 HA THR 103 HA THR 103 2.855 11.823 -5.706 774 HB THR 103 HB THR 103 4.577 10.041 -5.271 775 HG1 THR 103 HG1 THR 103 5.226 10.002 -7.467 776 HG21 THR 103 3HG2 THR 103 2.754 8.354 -7.008 777 HG22 THR 103 1HG2 THR 103 3.105 8.073 -5.301 778 HG23 THR 103 2HG2 THR 103 4.387 7.920 -6.501 779 H THR 104 H THR 104 2.391 11.714 -8.001 780 HA THR 104 HA THR 104 -0.262 10.545 -8.531 781 HB THR 104 HB THR 104 -0.380 12.111 -10.439 782 HG1 THR 104 HG1 THR 104 1.423 12.956 -11.139 783 HG21 THR 104 3HG2 THR 104 0.356 13.430 -7.814 784 HG22 THR 104 1HG2 THR 104 -1.245 12.854 -8.280 785 HG23 THR 104 2HG2 THR 104 -0.512 14.208 -9.140 786 H THR 105 H THR 105 2.952 9.843 -9.134 787 HA THR 105 HA THR 105 2.800 8.962 -11.848 788 HB THR 105 HB THR 105 4.779 8.113 -9.709 789 HG1 THR 105 HG1 THR 105 5.239 10.030 -11.749 790 HG21 THR 105 3HG2 THR 105 4.931 7.940 -12.731 791 HG22 THR 105 1HG2 THR 105 4.782 6.578 -11.620 792 HG23 THR 105 2HG2 THR 105 6.247 7.561 -11.620 793 H ILE 106 H ILE 106 1.195 7.511 -12.268 794 HA ILE 106 HA ILE 106 1.224 4.963 -10.762 795 HB ILE 106 HB ILE 106 -1.179 6.273 -12.064 796 HG12 ILE 106 2HG1 ILE 106 -0.517 5.907 -9.125 797 HG13 ILE 106 1HG1 ILE 106 -0.445 7.434 -10.000 798 HG21 ILE 106 1HG2 ILE 106 -2.471 4.473 -11.004 799 HG22 ILE 106 2HG2 ILE 106 -0.976 3.749 -10.415 800 HG23 ILE 106 3HG2 ILE 106 -1.290 3.837 -12.148 801 HD11 ILE 106 3HD1 ILE 106 -2.861 7.300 -10.394 802 HD12 ILE 106 1HD1 ILE 106 -2.460 7.294 -8.678 803 HD13 ILE 106 2HD1 ILE 106 -2.915 5.792 -9.480 804 H LYS 107 H LYS 107 1.794 3.251 -11.944 805 HA LYS 107 HA LYS 107 1.671 3.389 -14.883 806 HB2 LYS 107 2HB LYS 107 3.213 1.511 -13.071 807 HB3 LYS 107 1HB LYS 107 3.287 1.521 -14.828 808 HG2 LYS 107 2HG LYS 107 4.282 3.731 -14.810 809 HG3 LYS 107 1HG LYS 107 4.126 3.813 -13.053 810 HD2 LYS 107 2HD LYS 107 5.653 1.912 -12.821 811 HD3 LYS 107 1HD LYS 107 5.786 1.791 -14.575 812 HE2 LYS 107 2HE LYS 107 6.598 4.212 -12.962 813 HE3 LYS 107 1HE LYS 107 7.706 2.948 -13.492 814 HZ1 LYS 107 3HZ LYS 107 6.062 4.614 -15.319 815 HZ2 LYS 107 1HZ LYS 107 7.240 3.485 -15.767 816 HZ3 LYS 107 2HZ LYS 107 7.689 4.900 -14.960 817 H ASP 108 H ASP 108 0.073 2.261 -15.910 818 HA ASP 108 HA ASP 108 -1.265 0.064 -14.531 819 HB2 ASP 108 2HB ASP 108 -2.607 1.722 -15.801 820 HB3 ASP 108 1HB ASP 108 -1.795 1.228 -17.283 821 H LEU 109 H LEU 109 -0.561 -1.960 -14.712 822 HA LEU 109 HA LEU 109 0.938 -2.791 -17.124 823 HG LEU 109 HG LEU 109 2.122 -1.847 -14.264 824 HB2 LEU 109 2HB LEU 109 0.999 -4.041 -14.364 825 HB3 LEU 109 1HB LEU 109 2.000 -4.493 -15.732 826 HD11 LEU 109 1HD1 LEU 109 4.065 -4.160 -14.269 827 HD12 LEU 109 2HD1 LEU 109 2.977 -3.734 -12.948 828 HD13 LEU 109 3HD1 LEU 109 4.262 -2.624 -13.421 829 HD21 LEU 109 3HD2 LEU 109 2.687 -1.608 -16.630 830 HD22 LEU 109 1HD2 LEU 109 3.852 -2.925 -16.494 831 HD23 LEU 109 2HD2 LEU 109 4.117 -1.419 -15.616 832 H THR 110 H THR 110 -2.054 -2.773 -16.421 833 HA THR 110 HA THR 110 -2.684 -5.642 -16.420 834 HB THR 110 HB THR 110 -4.954 -5.040 -15.907 835 HG1 THR 110 HG1 THR 110 -4.211 -2.293 -16.242 836 HG21 THR 110 3HG2 THR 110 -4.673 -3.694 -13.851 837 HG22 THR 110 1HG2 THR 110 -3.039 -3.277 -14.368 838 HG23 THR 110 2HG2 THR 110 -3.449 -4.955 -14.001 839 H LEU 111 H LEU 111 -3.480 -2.716 -18.272 840 HA LEU 111 HA LEU 111 -4.869 -4.069 -20.356 841 HG LEU 111 HG LEU 111 -5.151 -1.509 -18.513 842 HB2 LEU 111 2HB LEU 111 -3.553 -1.349 -20.437 843 HB3 LEU 111 1HB LEU 111 -4.831 -1.923 -21.493 844 HD11 LEU 111 1HD1 LEU 111 -4.733 0.616 -19.593 845 HD12 LEU 111 2HD1 LEU 111 -6.424 0.497 -19.107 846 HD13 LEU 111 3HD1 LEU 111 -5.977 0.274 -20.799 847 HD21 LEU 111 3HD2 LEU 111 -7.181 -2.038 -20.689 848 HD22 LEU 111 1HD2 LEU 111 -7.551 -1.689 -18.998 849 HD23 LEU 111 2HD2 LEU 111 -6.685 -3.165 -19.425 850 H GLU 112 H GLU 112 -1.623 -2.638 -20.157 851 HA GLU 112 HA GLU 112 -0.791 -3.838 -22.664 852 HB2 GLU 112 2HB GLU 112 -0.015 -1.590 -21.177 853 HB3 GLU 112 1HB GLU 112 1.346 -2.688 -21.035 854 HG2 GLU 112 2HG GLU 112 0.130 -1.990 -23.695 855 HG3 GLU 112 1HG GLU 112 1.367 -0.993 -22.937 856 H HIS 113 H HIS 113 0.785 -5.464 -22.877 857 HA HIS 113 HA HIS 113 0.634 -7.454 -20.804 858 HD1 HIS 113 HD1 HIS 113 3.930 -9.117 -22.265 859 HD2 HIS 113 HD2 HIS 113 0.040 -10.572 -22.306 860 HE1 HIS 113 HE1 HIS 113 4.125 -11.568 -21.773 861 HE2 HIS 113 HE2 HIS 113 1.792 -12.461 -22.062 862 HB2 HIS 113 2HB HIS 113 0.451 -8.003 -23.220 863 HB3 HIS 113 1HB HIS 113 2.133 -7.542 -23.435 864 H HIS 114 H HIS 114 1.871 -5.835 -19.327 865 HA HIS 114 HA HIS 114 4.744 -6.529 -19.442 866 HD1 HIS 114 HD1 HIS 114 6.606 -4.596 -20.164 867 HD2 HIS 114 HD2 HIS 114 3.007 -2.529 -20.362 868 HE1 HIS 114 HE1 HIS 114 6.810 -3.085 -22.151 869 HE2 HIS 114 HE2 HIS 114 4.552 -2.003 -22.369 870 HB2 HIS 114 2HB HIS 114 3.409 -4.121 -18.178 871 HB3 HIS 114 1HB HIS 114 5.092 -4.556 -17.909 872 H HIS 115 H HIS 115 3.806 -8.590 -18.542 873 HA HIS 115 HA HIS 115 2.792 -8.596 -15.855 874 HD1 HIS 115 HD1 HIS 115 4.226 -12.580 -15.531 875 HD2 HIS 115 HD2 HIS 115 0.544 -10.655 -15.371 876 HE1 HIS 115 HE1 HIS 115 2.922 -13.760 -13.739 877 HE2 HIS 115 HE2 HIS 115 0.627 -12.742 -13.848 878 HB2 HIS 115 2HB HIS 115 2.273 -10.311 -17.650 879 HB3 HIS 115 1HB HIS 115 3.897 -10.942 -17.417 880 H HIS 116 H HIS 116 4.368 -7.545 -14.595 881 HA HIS 116 HA HIS 116 7.128 -8.242 -14.645 882 HD1 HIS 116 HD1 HIS 116 6.963 -6.985 -10.462 883 HD2 HIS 116 HD2 HIS 116 9.254 -6.211 -13.844 884 HE1 HIS 116 HE1 HIS 116 9.299 -6.635 -9.626 885 HE2 HIS 116 HE2 HIS 116 10.690 -6.358 -11.697 886 HB2 HIS 116 2HB HIS 116 6.345 -6.025 -13.932 887 HB3 HIS 116 1HB HIS 116 5.563 -6.744 -12.527 888 H HIS 117 H HIS 117 4.523 -9.035 -12.331 889 HA HIS 117 HA HIS 117 5.890 -11.428 -11.482 890 HD1 HIS 117 HD1 HIS 117 8.339 -11.594 -9.358 891 HD2 HIS 117 HD2 HIS 117 4.662 -11.064 -7.491 892 HE1 HIS 117 HE1 HIS 117 8.372 -13.107 -7.359 893 HE2 HIS 117 HE2 HIS 117 6.213 -12.651 -6.165 894 HB2 HIS 117 2HB HIS 117 7.041 -9.576 -10.218 895 HB3 HIS 117 1HB HIS 117 5.501 -9.201 -9.460 896 H HIS 118 H HIS 118 4.498 -12.882 -10.464 897 HA HIS 118 HA HIS 118 1.682 -12.089 -10.375 898 HD1 HIS 118 HD1 HIS 118 3.865 -15.341 -12.397 899 HD2 HIS 118 HD2 HIS 118 3.481 -15.694 -8.274 900 HE1 HIS 118 HE1 HIS 118 5.619 -16.985 -11.697 901 HE2 HIS 118 HE2 HIS 118 5.484 -17.045 -9.191 902 HB2 HIS 118 2HB HIS 118 1.307 -14.595 -9.978 903 HB3 HIS 118 1HB HIS 118 1.902 -14.098 -11.553 Start of MODEL 2 1 HA MET 1 HA MET 1 12.050 8.407 -9.783 2 H1 MET 1 1H MET 1 11.647 10.609 -10.676 3 H2 MET 1 2H MET 1 12.922 9.849 -11.481 4 H3 MET 1 3H MET 1 13.242 11.061 -10.345 5 HB2 MET 1 2HB MET 1 14.784 9.564 -9.196 6 HB3 MET 1 1HB MET 1 14.181 8.079 -8.475 7 HG2 MET 1 2HG MET 1 14.012 7.061 -10.686 8 HG3 MET 1 1HG MET 1 14.577 8.558 -11.424 9 HE1 MET 1 3HE MET 1 18.267 8.788 -10.234 10 HE2 MET 1 1HE MET 1 16.834 9.597 -9.601 11 HE3 MET 1 2HE MET 1 17.055 9.427 -11.342 12 H SER 2 H SER 2 10.334 9.146 -8.525 13 HA SER 2 HA SER 2 11.112 10.254 -5.903 14 HG SER 2 HG SER 2 9.495 11.528 -4.845 15 HB2 SER 2 2HB SER 2 10.127 12.096 -7.219 16 HB3 SER 2 1HB SER 2 8.681 11.129 -7.495 17 H GLY 3 H GLY 3 8.491 8.703 -7.750 18 HA2 GLY 3 2HA GLY 3 8.229 6.414 -6.252 19 HA3 GLY 3 1HA GLY 3 7.211 7.593 -5.436 20 H TRP 4 H TRP 4 6.240 5.203 -6.652 21 HA TRP 4 HA TRP 4 4.136 6.319 -8.235 22 HD1 TRP 4 HD1 TRP 4 5.091 2.448 -10.049 23 HE1 TRP 4 HE1 TRP 4 7.319 1.179 -10.191 24 HE3 TRP 4 HE3 TRP 4 8.314 6.382 -9.487 25 HZ2 TRP 4 HZ2 TRP 4 10.076 1.756 -10.084 26 HZ3 TRP 4 HZ3 TRP 4 10.734 5.936 -9.523 27 HH2 TRP 4 HH2 TRP 4 11.595 3.668 -9.815 28 HB2 TRP 4 2HB TRP 4 4.534 5.083 -10.320 29 HB3 TRP 4 1HB TRP 4 5.839 6.214 -9.991 30 H TYR 5 H TYR 5 2.626 4.614 -9.078 31 HA TYR 5 HA TYR 5 2.549 2.286 -7.253 32 HD1 TYR 5 HD1 TYR 5 1.051 5.884 -7.649 33 HD2 TYR 5 HD2 TYR 5 -0.061 2.527 -5.279 34 HE1 TYR 5 HE1 TYR 5 0.760 7.359 -5.703 35 HE2 TYR 5 HE2 TYR 5 -0.351 3.994 -3.326 36 HH TYR 5 HH TYR 5 0.466 6.197 -2.545 37 HB2 TYR 5 2HB TYR 5 0.271 3.712 -8.663 38 HB3 TYR 5 1HB TYR 5 0.094 2.299 -7.633 39 H GLU 6 H GLU 6 2.595 0.256 -8.145 40 HA GLU 6 HA GLU 6 2.075 0.020 -11.047 41 HB2 GLU 6 2HB GLU 6 3.983 -1.508 -9.280 42 HB3 GLU 6 1HB GLU 6 3.447 -2.157 -10.825 43 HG2 GLU 6 2HG GLU 6 4.334 -0.180 -11.966 44 HG3 GLU 6 1HG GLU 6 4.868 0.471 -10.419 45 H LEU 7 H LEU 7 0.215 -0.878 -11.526 46 HA LEU 7 HA LEU 7 -1.174 -2.582 -9.582 47 HG LEU 7 HG LEU 7 -3.533 -3.223 -11.441 48 HB2 LEU 7 2HB LEU 7 -2.366 -0.619 -10.434 49 HB3 LEU 7 1HB LEU 7 -2.158 -1.189 -12.079 50 HD11 LEU 7 1HD1 LEU 7 -4.996 -3.005 -9.484 51 HD12 LEU 7 2HD1 LEU 7 -4.120 -1.553 -8.997 52 HD13 LEU 7 3HD1 LEU 7 -3.295 -3.112 -9.035 53 HD21 LEU 7 3HD2 LEU 7 -4.880 -0.527 -11.262 54 HD22 LEU 7 1HD2 LEU 7 -5.663 -2.060 -11.661 55 HD23 LEU 7 2HD2 LEU 7 -4.452 -1.379 -12.748 56 H SER 8 H SER 8 -1.303 -4.742 -9.878 57 HA SER 8 HA SER 8 -1.176 -5.785 -12.641 58 HG SER 8 HG SER 8 1.057 -7.428 -9.665 59 HB2 SER 8 2HB SER 8 0.070 -7.749 -11.856 60 HB3 SER 8 1HB SER 8 0.961 -6.269 -11.510 61 H LYS 9 H LYS 9 -2.239 -7.871 -12.965 62 HA LYS 9 HA LYS 9 -4.605 -8.113 -11.216 63 HB2 LYS 9 2HB LYS 9 -5.054 -7.392 -13.539 64 HB3 LYS 9 1HB LYS 9 -4.310 -8.870 -14.133 65 HG2 LYS 9 2HG LYS 9 -6.070 -10.136 -12.819 66 HG3 LYS 9 1HG LYS 9 -6.867 -8.583 -12.568 67 HD2 LYS 9 2HD LYS 9 -7.876 -9.695 -14.460 68 HD3 LYS 9 1HD LYS 9 -6.983 -8.284 -15.028 69 HE2 LYS 9 2HE LYS 9 -5.103 -9.739 -15.660 70 HE3 LYS 9 1HE LYS 9 -6.011 -11.144 -15.101 71 HZ1 LYS 9 3HZ LYS 9 -7.704 -10.630 -16.775 72 HZ2 LYS 9 1HZ LYS 9 -6.193 -10.929 -17.472 73 HZ3 LYS 9 2HZ LYS 9 -6.762 -9.345 -17.337 74 H SER 10 H SER 10 -4.806 -9.920 -10.058 75 HA SER 10 HA SER 10 -3.125 -12.213 -10.396 76 HG SER 10 HG SER 10 -4.101 -13.758 -7.786 77 HB2 SER 10 2HB SER 10 -3.867 -11.713 -8.168 78 HB3 SER 10 1HB SER 10 -5.556 -11.706 -8.662 79 H SER 11 H SER 11 -3.939 -14.437 -10.711 80 HA SER 11 HA SER 11 -5.415 -14.750 -13.088 81 HG SER 11 HG SER 11 -5.642 -17.295 -10.371 82 HB2 SER 11 2HB SER 11 -5.407 -17.178 -12.548 83 HB3 SER 11 1HB SER 11 -3.816 -16.443 -12.355 84 H ASN 12 H ASN 12 -6.432 -14.467 -9.802 85 HA ASN 12 HA ASN 12 -9.072 -15.559 -10.148 86 HB2 ASN 12 2HB ASN 12 -7.943 -13.751 -7.991 87 HB3 ASN 12 1HB ASN 12 -9.509 -14.553 -7.921 88 HD21 ASN 12 1HD2 ASN 12 -8.962 -15.695 -6.077 89 HD22 ASN 12 2HD2 ASN 12 -7.843 -17.009 -6.102 90 H ASP 13 H ASP 13 -7.934 -13.121 -11.785 91 HA ASP 13 HA ASP 13 -8.773 -11.311 -12.860 92 HB2 ASP 13 2HB ASP 13 -11.430 -12.272 -11.758 93 HB3 ASP 13 1HB ASP 13 -11.221 -11.094 -13.053 94 H GLN 14 H GLN 14 -7.857 -11.055 -10.093 95 HA GLN 14 HA GLN 14 -9.411 -8.688 -9.254 96 HB2 GLN 14 2HB GLN 14 -7.829 -10.630 -7.554 97 HB3 GLN 14 1HB GLN 14 -8.521 -9.126 -6.954 98 HG2 GLN 14 2HG GLN 14 -10.763 -9.921 -7.516 99 HG3 GLN 14 1HG GLN 14 -10.077 -11.420 -8.142 100 HE21 GLN 14 1HE2 GLN 14 -10.813 -9.585 -5.285 101 HE22 GLN 14 2HE2 GLN 14 -10.559 -10.870 -4.162 102 H PHE 15 H PHE 15 -8.388 -6.793 -8.992 103 HA PHE 15 HA PHE 15 -5.613 -6.605 -9.901 104 HD1 PHE 15 HD2 PHE 15 -9.452 -5.750 -10.566 105 HD2 PHE 15 HD1 PHE 15 -5.795 -4.744 -12.510 106 HE1 PHE 15 HE2 PHE 15 -10.474 -6.256 -12.748 107 HE2 PHE 15 HE1 PHE 15 -6.814 -5.251 -14.691 108 HZ PHE 15 HZ PHE 15 -9.154 -6.011 -14.813 109 HB2 PHE 15 2HB PHE 15 -7.670 -4.425 -9.434 110 HB3 PHE 15 1HB PHE 15 -6.104 -4.221 -10.211 111 H LYS 16 H LYS 16 -3.945 -5.935 -8.621 112 HA LYS 16 HA LYS 16 -4.501 -4.482 -6.155 113 HB2 LYS 16 2HB LYS 16 -3.171 -5.906 -4.726 114 HB3 LYS 16 1HB LYS 16 -4.445 -6.861 -5.464 115 HG2 LYS 16 2HG LYS 16 -1.571 -6.822 -6.388 116 HG3 LYS 16 1HG LYS 16 -2.273 -8.033 -5.318 117 HD2 LYS 16 2HD LYS 16 -3.920 -8.570 -7.133 118 HD3 LYS 16 1HD LYS 16 -3.024 -7.481 -8.193 119 HE2 LYS 16 2HE LYS 16 -1.980 -9.990 -6.875 120 HE3 LYS 16 1HE LYS 16 -2.323 -9.764 -8.590 121 HZ1 LYS 16 3HZ LYS 16 -0.224 -8.378 -7.014 122 HZ2 LYS 16 1HZ LYS 16 -0.582 -8.054 -8.636 123 HZ3 LYS 16 2HZ LYS 16 0.021 -9.568 -8.187 124 H PHE 17 H PHE 17 -2.981 -2.972 -5.674 125 HA PHE 17 HA PHE 17 -0.788 -2.719 -7.628 126 HD1 PHE 17 HD2 PHE 17 -4.427 -1.100 -6.457 127 HD2 PHE 17 HD1 PHE 17 -0.823 0.614 -4.953 128 HE1 PHE 17 HE2 PHE 17 -5.679 -0.106 -4.587 129 HE2 PHE 17 HE1 PHE 17 -2.075 1.603 -3.081 130 HZ PHE 17 HZ PHE 17 -4.503 1.247 -2.899 131 HB2 PHE 17 2HB PHE 17 -0.934 -0.273 -7.212 132 HB3 PHE 17 1HB PHE 17 -2.426 -0.950 -7.850 133 H VAL 18 H VAL 18 1.222 -1.829 -6.980 134 HA VAL 18 HA VAL 18 1.798 -1.973 -4.081 135 HB VAL 18 HB VAL 18 4.082 -2.696 -4.617 136 HG11 VAL 18 1HG1 VAL 18 2.378 -4.404 -4.203 137 HG12 VAL 18 2HG1 VAL 18 3.586 -4.973 -5.354 138 HG13 VAL 18 3HG1 VAL 18 2.002 -4.454 -5.927 139 HG21 VAL 18 3HG2 VAL 18 4.681 -3.388 -6.912 140 HG22 VAL 18 1HG2 VAL 18 4.351 -1.656 -6.804 141 HG23 VAL 18 2HG2 VAL 18 3.144 -2.743 -7.492 142 H LEU 19 H LEU 19 3.072 -0.358 -3.192 143 HA LEU 19 HA LEU 19 3.474 2.019 -4.885 144 HG LEU 19 HG LEU 19 4.811 3.611 -2.358 145 HB2 LEU 19 2HB LEU 19 2.100 2.385 -2.923 146 HB3 LEU 19 1HB LEU 19 3.342 1.711 -1.886 147 HD11 LEU 19 1HD1 LEU 19 2.551 4.630 -4.082 148 HD12 LEU 19 2HD1 LEU 19 4.136 4.101 -4.639 149 HD13 LEU 19 3HD1 LEU 19 3.992 5.543 -3.637 150 HD21 LEU 19 3HD2 LEU 19 3.547 5.338 -1.195 151 HD22 LEU 19 1HD2 LEU 19 3.230 3.757 -0.484 152 HD23 LEU 19 2HD2 LEU 19 2.038 4.498 -1.551 153 H LYS 20 H LYS 20 5.441 2.447 -5.593 154 HA LYS 20 HA LYS 20 7.777 1.357 -4.143 155 HB2 LYS 20 2HB LYS 20 7.451 2.067 -7.066 156 HB3 LYS 20 1HB LYS 20 8.961 1.552 -6.328 157 HG2 LYS 20 2HG LYS 20 7.895 -0.605 -5.739 158 HG3 LYS 20 1HG LYS 20 6.435 -0.077 -6.585 159 HD2 LYS 20 2HD LYS 20 7.676 0.092 -8.675 160 HD3 LYS 20 1HD LYS 20 9.174 -0.336 -7.848 161 HE2 LYS 20 2HE LYS 20 8.250 -2.543 -7.311 162 HE3 LYS 20 1HE LYS 20 6.743 -2.113 -8.123 163 HZ1 LYS 20 3HZ LYS 20 7.962 -1.885 -10.190 164 HZ2 LYS 20 1HZ LYS 20 8.177 -3.431 -9.547 165 HZ3 LYS 20 2HZ LYS 20 9.411 -2.284 -9.418 166 H ALA 21 H ALA 21 9.551 2.654 -3.739 167 HA ALA 21 HA ALA 21 9.239 5.508 -3.726 168 HB1 ALA 21 3HB ALA 21 11.686 3.804 -3.200 169 HB2 ALA 21 1HB ALA 21 10.533 4.369 -1.990 170 HB3 ALA 21 2HB ALA 21 11.541 5.528 -2.856 171 H GLY 22 H GLY 22 11.382 6.750 -4.615 172 HA2 GLY 22 2HA GLY 22 11.072 6.886 -7.391 173 HA3 GLY 22 1HA GLY 22 12.402 7.593 -6.494 174 H ASN 23 H ASN 23 13.319 4.958 -5.527 175 HA ASN 23 HA ASN 23 14.861 4.200 -7.878 176 HB2 ASN 23 2HB ASN 23 16.139 2.795 -6.236 177 HB3 ASN 23 1HB ASN 23 16.100 4.511 -5.841 178 HD21 ASN 23 1HD2 ASN 23 14.964 5.197 -4.045 179 HD22 ASN 23 2HD2 ASN 23 14.371 4.104 -2.845 180 H GLY 24 H GLY 24 11.969 3.180 -6.538 181 HA2 GLY 24 2HA GLY 24 10.707 1.405 -7.544 182 HA3 GLY 24 1HA GLY 24 12.203 0.532 -7.824 183 H GLU 25 H GLU 25 12.525 1.681 -4.786 184 HA GLU 25 HA GLU 25 12.266 -0.753 -3.460 185 HB2 GLU 25 2HB GLU 25 13.598 1.159 -2.657 186 HB3 GLU 25 1HB GLU 25 12.121 2.040 -2.301 187 HG2 GLU 25 2HG GLU 25 11.545 0.482 -0.561 188 HG3 GLU 25 1HG GLU 25 12.899 -0.565 -0.993 189 H VAL 26 H VAL 26 10.424 -1.897 -3.330 190 HA VAL 26 HA VAL 26 7.809 -0.739 -3.286 191 HB VAL 26 HB VAL 26 8.583 -3.597 -2.649 192 HG11 VAL 26 1HG1 VAL 26 5.955 -2.398 -3.539 193 HG12 VAL 26 2HG1 VAL 26 6.317 -3.085 -1.957 194 HG13 VAL 26 3HG1 VAL 26 6.279 -4.125 -3.381 195 HG21 VAL 26 3HG2 VAL 26 9.465 -2.939 -4.831 196 HG22 VAL 26 1HG2 VAL 26 7.866 -2.378 -5.318 197 HG23 VAL 26 2HG2 VAL 26 8.142 -4.092 -5.006 198 H ILE 27 H ILE 27 7.243 0.418 -1.503 199 HA ILE 27 HA ILE 27 7.869 -0.605 1.157 200 HB ILE 27 HB ILE 27 6.860 1.536 1.979 201 HG12 ILE 27 2HG1 ILE 27 6.755 2.226 -0.978 202 HG13 ILE 27 1HG1 ILE 27 5.361 1.993 0.069 203 HG21 ILE 27 1HG2 ILE 27 9.263 1.298 1.669 204 HG22 ILE 27 2HG2 ILE 27 8.751 2.938 1.275 205 HG23 ILE 27 3HG2 ILE 27 9.115 1.793 -0.017 206 HD11 ILE 27 3HD1 ILE 27 6.050 3.937 1.402 207 HD12 ILE 27 1HD1 ILE 27 5.780 4.349 -0.292 208 HD13 ILE 27 2HD1 ILE 27 7.425 4.174 0.320 209 H LEU 28 H LEU 28 5.021 -0.108 -0.894 210 HA LEU 28 HA LEU 28 3.408 -1.517 1.148 211 HG LEU 28 HG LEU 28 1.482 1.604 1.582 212 HB2 LEU 28 2HB LEU 28 2.709 0.918 -0.443 213 HB3 LEU 28 1HB LEU 28 1.434 -0.201 -0.014 214 HD11 LEU 28 1HD1 LEU 28 2.632 -0.897 2.818 215 HD12 LEU 28 2HD1 LEU 28 0.932 -0.615 2.443 216 HD13 LEU 28 3HD1 LEU 28 1.739 0.369 3.663 217 HD21 LEU 28 3HD2 LEU 28 4.352 0.854 2.104 218 HD22 LEU 28 1HD2 LEU 28 3.417 2.057 2.985 219 HD23 LEU 28 2HD2 LEU 28 3.792 2.308 1.282 220 H THR 29 H THR 29 1.770 -2.872 0.448 221 HA THR 29 HA THR 29 1.458 -3.428 -2.416 222 HB THR 29 HB THR 29 2.078 -5.562 -0.347 223 HG1 THR 29 HG1 THR 29 3.680 -4.145 -1.878 224 HG21 THR 29 3HG2 THR 29 1.902 -7.158 -2.228 225 HG22 THR 29 1HG2 THR 29 1.322 -5.853 -3.261 226 HG23 THR 29 2HG2 THR 29 0.362 -6.375 -1.876 227 H SER 30 H SER 30 -0.675 -3.536 -2.888 228 HA SER 30 HA SER 30 -2.559 -3.329 -0.685 229 HG SER 30 HG SER 30 -4.637 -1.735 -1.885 230 HB2 SER 30 2HB SER 30 -2.664 -1.768 -2.607 231 HB3 SER 30 1HB SER 30 -3.068 -3.119 -3.664 232 H GLU 31 H GLU 31 -4.730 -4.397 -0.912 233 HA GLU 31 HA GLU 31 -4.352 -7.261 -1.374 234 HB2 GLU 31 2HB GLU 31 -5.256 -6.448 0.811 235 HB3 GLU 31 1HB GLU 31 -6.664 -5.828 -0.034 236 HG2 GLU 31 2HG GLU 31 -7.345 -8.049 -0.659 237 HG3 GLU 31 1HG GLU 31 -5.854 -8.733 -0.013 238 H LEU 32 H LEU 32 -6.398 -8.432 -2.222 239 HA LEU 32 HA LEU 32 -6.554 -7.706 -4.940 240 HG LEU 32 HG LEU 32 -5.740 -10.233 -3.259 241 HB2 LEU 32 2HB LEU 32 -8.150 -9.749 -3.393 242 HB3 LEU 32 1HB LEU 32 -8.039 -9.663 -5.141 243 HD11 LEU 32 1HD1 LEU 32 -5.793 -12.485 -4.247 244 HD12 LEU 32 2HD1 LEU 32 -7.250 -12.050 -5.143 245 HD13 LEU 32 3HD1 LEU 32 -7.281 -12.105 -3.380 246 HD21 LEU 32 3HD2 LEU 32 -4.985 -9.026 -5.228 247 HD22 LEU 32 1HD2 LEU 32 -5.834 -10.164 -6.278 248 HD23 LEU 32 2HD2 LEU 32 -4.467 -10.709 -5.306 249 H TYR 33 H TYR 33 -7.725 -6.067 -5.731 250 HA TYR 33 HA TYR 33 -10.496 -5.611 -4.874 251 HD1 TYR 33 HD2 TYR 33 -6.983 -3.828 -5.167 252 HD2 TYR 33 HD1 TYR 33 -10.976 -2.460 -4.591 253 HE1 TYR 33 HE2 TYR 33 -6.213 -2.335 -3.375 254 HE2 TYR 33 HE1 TYR 33 -10.210 -0.961 -2.801 255 HH TYR 33 HH TYR 33 -6.929 -0.272 -2.260 256 HB2 TYR 33 2HB TYR 33 -8.747 -4.165 -6.890 257 HB3 TYR 33 1HB TYR 33 -10.415 -3.732 -6.540 258 H THR 34 H THR 34 -12.283 -5.892 -6.307 259 HA THR 34 HA THR 34 -11.819 -7.804 -8.469 260 HB THR 34 HB THR 34 -14.328 -7.832 -8.663 261 HG1 THR 34 HG1 THR 34 -14.664 -5.720 -7.707 262 HG21 THR 34 3HG2 THR 34 -14.685 -9.061 -6.562 263 HG22 THR 34 1HG2 THR 34 -13.167 -8.423 -5.936 264 HG23 THR 34 2HG2 THR 34 -13.159 -9.506 -7.328 265 H GLY 35 H GLY 35 -11.814 -4.484 -8.296 266 HA2 GLY 35 2HA GLY 35 -12.463 -4.291 -11.174 267 HA3 GLY 35 1HA GLY 35 -13.174 -3.154 -10.041 268 H LYS 36 H LYS 36 -11.214 -2.937 -12.373 269 HA LYS 36 HA LYS 36 -8.690 -2.107 -11.421 270 HB2 LYS 36 2HB LYS 36 -9.151 -2.625 -13.782 271 HB3 LYS 36 1HB LYS 36 -10.193 -1.216 -13.898 272 HG2 LYS 36 2HG LYS 36 -8.206 0.214 -13.377 273 HG3 LYS 36 1HG LYS 36 -7.205 -1.239 -13.474 274 HD2 LYS 36 2HD LYS 36 -8.956 -0.175 -15.702 275 HD3 LYS 36 1HD LYS 36 -7.213 0.064 -15.580 276 HE2 LYS 36 2HE LYS 36 -8.371 -2.706 -15.558 277 HE3 LYS 36 1HE LYS 36 -8.140 -1.849 -17.079 278 HZ1 LYS 36 3HZ LYS 36 -6.282 -3.357 -16.268 279 HZ2 LYS 36 1HZ LYS 36 -5.923 -2.147 -15.143 280 HZ3 LYS 36 2HZ LYS 36 -5.847 -1.814 -16.799 281 H SER 37 H SER 37 -11.653 -0.228 -12.102 282 HA SER 37 HA SER 37 -10.534 2.292 -11.393 283 HG SER 37 HG SER 37 -13.176 1.688 -13.582 284 HB2 SER 37 2HB SER 37 -13.434 1.417 -11.524 285 HB3 SER 37 1HB SER 37 -12.895 3.087 -11.330 286 H GLY 38 H GLY 38 -12.250 -0.197 -9.572 287 HA2 GLY 38 2HA GLY 38 -12.494 1.173 -7.112 288 HA3 GLY 38 1HA GLY 38 -12.378 -0.572 -7.302 289 H ALA 39 H ALA 39 -9.863 -0.828 -8.415 290 HA ALA 39 HA ALA 39 -8.092 -0.634 -6.249 291 HB1 ALA 39 3HB ALA 39 -7.791 -2.212 -8.103 292 HB2 ALA 39 1HB ALA 39 -6.341 -1.243 -7.841 293 HB3 ALA 39 2HB ALA 39 -7.419 -0.873 -9.188 294 H MET 40 H MET 40 -8.359 1.435 -9.162 295 HA MET 40 HA MET 40 -6.338 3.258 -8.477 296 HB2 MET 40 2HB MET 40 -8.860 3.751 -10.081 297 HB3 MET 40 1HB MET 40 -7.478 4.835 -10.011 298 HG2 MET 40 2HG MET 40 -6.076 2.956 -10.919 299 HG3 MET 40 1HG MET 40 -7.574 2.066 -11.185 300 HE1 MET 40 3HE MET 40 -9.405 4.462 -13.756 301 HE2 MET 40 1HE MET 40 -9.547 4.480 -12.000 302 HE3 MET 40 2HE MET 40 -9.527 2.945 -12.868 303 H ASN 41 H ASN 41 -9.824 3.317 -7.718 304 HA ASN 41 HA ASN 41 -9.961 5.684 -6.275 305 HB2 ASN 41 2HB ASN 41 -11.925 4.265 -6.796 306 HB3 ASN 41 1HB ASN 41 -11.366 3.072 -5.629 307 HD21 ASN 41 1HD2 ASN 41 -13.187 3.231 -4.357 308 HD22 ASN 41 2HD2 ASN 41 -13.528 4.622 -3.390 309 H GLY 42 H GLY 42 -8.937 2.461 -5.179 310 HA2 GLY 42 2HA GLY 42 -8.317 3.071 -2.513 311 HA3 GLY 42 1HA GLY 42 -7.544 1.819 -3.469 312 H ILE 43 H ILE 43 -6.380 3.495 -5.456 313 HA ILE 43 HA ILE 43 -3.962 4.257 -4.192 314 HB ILE 43 HB ILE 43 -5.014 4.999 -6.937 315 HG12 ILE 43 2HG1 ILE 43 -3.096 2.819 -6.058 316 HG13 ILE 43 1HG1 ILE 43 -4.765 2.574 -6.560 317 HG21 ILE 43 1HG2 ILE 43 -3.277 6.569 -6.245 318 HG22 ILE 43 2HG2 ILE 43 -2.683 5.511 -7.524 319 HG23 ILE 43 3HG2 ILE 43 -2.202 5.228 -5.851 320 HD11 ILE 43 3HD1 ILE 43 -4.226 3.327 -8.800 321 HD12 ILE 43 1HD1 ILE 43 -3.174 1.997 -8.316 322 HD13 ILE 43 2HD1 ILE 43 -2.562 3.652 -8.307 323 H GLU 44 H GLU 44 -6.562 6.262 -5.616 324 HA GLU 44 HA GLU 44 -5.603 8.771 -4.841 325 HB2 GLU 44 2HB GLU 44 -8.519 7.952 -4.948 326 HB3 GLU 44 1HB GLU 44 -7.873 9.578 -5.124 327 HG2 GLU 44 2HG GLU 44 -7.532 7.276 -7.041 328 HG3 GLU 44 1HG GLU 44 -8.523 8.714 -7.278 329 H SER 45 H SER 45 -7.404 6.361 -3.024 330 HA SER 45 HA SER 45 -7.903 7.916 -0.704 331 HG SER 45 HG SER 45 -9.363 5.796 -2.194 332 HB2 SER 45 2HB SER 45 -7.629 4.906 -0.988 333 HB3 SER 45 1HB SER 45 -8.261 5.733 0.434 334 H VAL 46 H VAL 46 -5.226 5.715 -1.574 335 HA VAL 46 HA VAL 46 -3.751 5.890 0.806 336 HB VAL 46 HB VAL 46 -2.696 5.594 -2.024 337 HG11 VAL 46 1HG1 VAL 46 -1.330 5.011 0.609 338 HG12 VAL 46 2HG1 VAL 46 -0.917 6.304 -0.516 339 HG13 VAL 46 3HG1 VAL 46 -0.690 4.619 -0.984 340 HG21 VAL 46 3HG2 VAL 46 -3.355 3.490 0.048 341 HG22 VAL 46 1HG2 VAL 46 -2.634 3.190 -1.532 342 HG23 VAL 46 2HG2 VAL 46 -4.272 3.827 -1.419 343 H GLN 47 H GLN 47 -3.543 7.901 -2.133 344 HA GLN 47 HA GLN 47 -1.559 9.678 -1.296 345 HB2 GLN 47 2HB GLN 47 -3.947 10.248 -3.071 346 HB3 GLN 47 1HB GLN 47 -2.508 11.253 -2.949 347 HG2 GLN 47 2HG GLN 47 -1.149 9.433 -3.842 348 HG3 GLN 47 1HG GLN 47 -2.580 8.405 -3.938 349 HE21 GLN 47 1HE2 GLN 47 -2.381 8.165 -6.161 350 HE22 GLN 47 2HE2 GLN 47 -2.741 9.439 -7.265 351 H THR 48 H THR 48 -5.054 9.774 -0.741 352 HA THR 48 HA THR 48 -5.079 12.343 0.524 353 HB THR 48 HB THR 48 -7.156 10.134 0.590 354 HG1 THR 48 HG1 THR 48 -7.323 10.756 -1.438 355 HG21 THR 48 3HG2 THR 48 -8.746 11.895 1.221 356 HG22 THR 48 1HG2 THR 48 -7.432 13.070 1.278 357 HG23 THR 48 2HG2 THR 48 -7.473 11.736 2.433 358 H ASN 49 H ASN 49 -4.923 9.020 1.729 359 HA ASN 49 HA ASN 49 -5.264 9.812 4.487 360 HB2 ASN 49 2HB ASN 49 -4.557 7.128 3.284 361 HB3 ASN 49 1HB ASN 49 -4.924 7.411 4.984 362 HD21 ASN 49 1HD2 ASN 49 -6.291 5.694 3.135 363 HD22 ASN 49 2HD2 ASN 49 -7.922 6.250 3.050 364 H SER 50 H SER 50 -2.553 9.134 2.382 365 HA SER 50 HA SER 50 -0.550 8.349 4.052 366 HG SER 50 HG SER 50 1.890 9.106 1.882 367 HB2 SER 50 2HB SER 50 -0.165 8.595 1.674 368 HB3 SER 50 1HB SER 50 -0.318 10.347 1.791 369 HA PRO 51 HA PRO 51 0.477 12.884 5.509 370 HB2 PRO 51 2HB PRO 51 -1.545 14.721 5.314 371 HB3 PRO 51 1HB PRO 51 -0.295 14.516 4.081 372 HG2 PRO 51 2HG PRO 51 -3.089 13.425 4.144 373 HG3 PRO 51 1HG PRO 51 -2.208 14.175 2.795 374 HD2 PRO 51 2HD PRO 51 -2.465 11.502 3.006 375 HD3 PRO 51 1HD PRO 51 -0.998 12.249 2.348 376 H ILE 52 H ILE 52 -2.698 11.454 5.827 377 HA ILE 52 HA ILE 52 -3.116 12.526 8.514 378 HB ILE 52 HB ILE 52 -4.869 10.619 6.938 379 HG12 ILE 52 2HG1 ILE 52 -5.124 13.626 7.270 380 HG13 ILE 52 1HG1 ILE 52 -4.572 12.816 5.808 381 HG21 ILE 52 1HG2 ILE 52 -5.464 12.271 9.406 382 HG22 ILE 52 2HG2 ILE 52 -5.278 10.518 9.347 383 HG23 ILE 52 3HG2 ILE 52 -6.633 11.286 8.522 384 HD11 ILE 52 3HD1 ILE 52 -6.760 11.729 5.603 385 HD12 ILE 52 1HD1 ILE 52 -6.885 13.488 5.602 386 HD13 ILE 52 2HD1 ILE 52 -7.303 12.577 7.051 387 H GLU 53 H GLU 53 -1.570 11.510 9.782 388 HA GLU 53 HA GLU 53 -0.839 8.802 9.626 389 HB2 GLU 53 2HB GLU 53 0.523 10.578 10.690 390 HB3 GLU 53 1HB GLU 53 -0.626 10.645 12.018 391 HG2 GLU 53 2HG GLU 53 -0.072 8.404 12.693 392 HG3 GLU 53 1HG GLU 53 0.942 8.181 11.268 393 H ALA 54 H ALA 54 -3.579 10.284 11.122 394 HA ALA 54 HA ALA 54 -4.221 8.466 13.139 395 HB1 ALA 54 3HB ALA 54 -6.520 9.264 12.918 396 HB2 ALA 54 1HB ALA 54 -6.122 10.000 11.366 397 HB3 ALA 54 2HB ALA 54 -5.369 10.598 12.844 398 H ARG 55 H ARG 55 -4.327 7.979 9.707 399 HA ARG 55 HA ARG 55 -6.224 5.779 9.808 400 HE ARG 55 HE ARG 55 -8.417 8.905 7.004 401 HB2 ARG 55 2HB ARG 55 -4.414 6.699 7.561 402 HB3 ARG 55 1HB ARG 55 -5.709 5.520 7.412 403 HG2 ARG 55 2HG ARG 55 -6.065 8.424 8.155 404 HG3 ARG 55 1HG ARG 55 -6.351 7.727 6.561 405 HD2 ARG 55 2HD ARG 55 -8.070 6.237 7.597 406 HD3 ARG 55 1HD ARG 55 -7.842 7.109 9.116 407 HH11 ARG 55 1HH1 ARG 55 -9.938 6.610 9.083 408 HH12 ARG 55 2HH1 ARG 55 -11.484 7.373 8.961 409 HH21 ARG 55 1HH2 ARG 55 -10.397 9.845 6.837 410 HH22 ARG 55 2HH2 ARG 55 -11.749 9.183 7.695 411 H TYR 56 H TYR 56 -3.311 5.909 11.062 412 HA TYR 56 HA TYR 56 -1.710 3.959 9.837 413 HD1 TYR 56 HD1 TYR 56 -3.037 6.361 12.950 414 HD2 TYR 56 HD2 TYR 56 -0.710 2.914 13.859 415 HE1 TYR 56 HE1 TYR 56 -3.945 6.355 15.232 416 HE2 TYR 56 HE2 TYR 56 -1.614 2.900 16.140 417 HH TYR 56 HH TYR 56 -2.620 4.624 17.738 418 HB2 TYR 56 2HB TYR 56 -0.362 4.022 11.812 419 HB3 TYR 56 1HB TYR 56 -0.982 5.651 11.564 420 H ALA 57 H ALA 57 -1.091 1.861 10.629 421 HA ALA 57 HA ALA 57 -2.536 0.490 12.671 422 HB1 ALA 57 3HB ALA 57 -3.587 -1.234 11.316 423 HB2 ALA 57 1HB ALA 57 -3.013 -0.460 9.839 424 HB3 ALA 57 2HB ALA 57 -4.206 0.352 10.851 425 H LYS 58 H LYS 58 -0.668 -0.270 13.588 426 HA LYS 58 HA LYS 58 1.266 -1.652 11.830 427 HB2 LYS 58 2HB LYS 58 1.744 -0.313 14.502 428 HB3 LYS 58 1HB LYS 58 2.948 -1.254 13.635 429 HG2 LYS 58 2HG LYS 58 3.518 0.899 13.043 430 HG3 LYS 58 1HG LYS 58 2.489 0.423 11.692 431 HD2 LYS 58 2HD LYS 58 1.809 2.613 12.325 432 HD3 LYS 58 1HD LYS 58 0.566 1.512 12.924 433 HE2 LYS 58 2HE LYS 58 1.013 3.082 14.663 434 HE3 LYS 58 1HE LYS 58 1.731 1.549 15.150 435 HZ1 LYS 58 3HZ LYS 58 3.161 3.886 14.007 436 HZ2 LYS 58 1HZ LYS 58 3.889 2.397 14.355 437 HZ3 LYS 58 2HZ LYS 58 3.239 3.337 15.603 438 H GLU 59 H GLU 59 1.467 -3.773 12.027 439 HA GLU 59 HA GLU 59 0.643 -5.085 14.539 440 HB2 GLU 59 2HB GLU 59 -1.188 -5.251 12.884 441 HB3 GLU 59 1HB GLU 59 -0.082 -5.993 11.737 442 HG2 GLU 59 2HG GLU 59 -1.449 -7.692 12.744 443 HG3 GLU 59 1HG GLU 59 0.216 -7.890 13.288 444 H VAL 60 H VAL 60 1.641 -7.130 14.956 445 HA VAL 60 HA VAL 60 4.172 -7.537 13.486 446 HB VAL 60 HB VAL 60 3.478 -8.367 16.317 447 HG11 VAL 60 1HG1 VAL 60 6.098 -8.540 14.815 448 HG12 VAL 60 2HG1 VAL 60 5.078 -9.898 15.291 449 HG13 VAL 60 3HG1 VAL 60 5.868 -8.915 16.523 450 HG21 VAL 60 3HG2 VAL 60 5.067 -6.618 17.002 451 HG22 VAL 60 1HG2 VAL 60 3.697 -5.945 16.116 452 HG23 VAL 60 2HG2 VAL 60 5.256 -6.137 15.315 453 H ALA 61 H ALA 61 4.351 -9.319 12.292 454 HA ALA 61 HA ALA 61 2.316 -11.212 11.956 455 HB1 ALA 61 3HB ALA 61 3.991 -10.729 10.241 456 HB2 ALA 61 1HB ALA 61 3.927 -12.455 10.598 457 HB3 ALA 61 2HB ALA 61 5.239 -11.470 11.244 458 H LYS 62 H LYS 62 2.220 -13.458 12.461 459 HA LYS 62 HA LYS 62 2.738 -14.116 15.135 460 HB2 LYS 62 2HB LYS 62 2.083 -16.434 14.466 461 HB3 LYS 62 1HB LYS 62 0.953 -15.189 13.946 462 HG2 LYS 62 2HG LYS 62 2.000 -15.244 11.691 463 HG3 LYS 62 1HG LYS 62 3.009 -16.586 12.234 464 HD2 LYS 62 2HD LYS 62 1.048 -17.958 12.619 465 HD3 LYS 62 1HD LYS 62 -0.016 -16.606 12.223 466 HE2 LYS 62 2HE LYS 62 0.136 -18.132 10.341 467 HE3 LYS 62 1HE LYS 62 0.886 -16.591 9.929 468 HZ1 LYS 62 3HZ LYS 62 3.059 -17.584 10.356 469 HZ2 LYS 62 1HZ LYS 62 2.220 -18.452 9.173 470 HZ3 LYS 62 2HZ LYS 62 2.330 -19.057 10.747 471 H ASN 63 H ASN 63 4.823 -14.353 12.403 472 HA ASN 63 HA ASN 63 6.670 -16.197 13.710 473 HB2 ASN 63 2HB ASN 63 6.164 -16.149 11.193 474 HB3 ASN 63 1HB ASN 63 7.126 -14.677 11.135 475 HD21 ASN 63 1HD2 ASN 63 9.355 -14.815 11.586 476 HD22 ASN 63 2HD2 ASN 63 10.203 -16.308 11.445 477 H ASP 64 H ASP 64 5.983 -13.374 14.674 478 HA ASP 64 HA ASP 64 6.978 -11.604 15.664 479 HB2 ASP 64 2HB ASP 64 8.200 -13.376 16.863 480 HB3 ASP 64 1HB ASP 64 9.438 -13.371 15.612 481 H LYS 65 H LYS 65 6.579 -10.781 13.367 482 HA LYS 65 HA LYS 65 9.006 -9.377 12.512 483 HB2 LYS 65 2HB LYS 65 7.118 -10.841 10.654 484 HB3 LYS 65 1HB LYS 65 8.280 -9.641 10.105 485 HG2 LYS 65 2HG LYS 65 10.100 -11.056 11.050 486 HG3 LYS 65 1HG LYS 65 8.890 -12.285 11.423 487 HD2 LYS 65 2HD LYS 65 8.345 -12.501 9.057 488 HD3 LYS 65 1HD LYS 65 9.469 -11.202 8.659 489 HE2 LYS 65 2HE LYS 65 11.330 -12.568 9.514 490 HE3 LYS 65 1HE LYS 65 10.198 -13.872 9.866 491 HZ1 LYS 65 3HZ LYS 65 9.682 -14.007 7.510 492 HZ2 LYS 65 1HZ LYS 65 11.336 -14.233 7.776 493 HZ3 LYS 65 2HZ LYS 65 10.771 -12.761 7.174 494 HA PRO 66 HA PRO 66 5.785 -6.235 13.107 495 HB2 PRO 66 2HB PRO 66 7.446 -4.092 13.171 496 HB3 PRO 66 1HB PRO 66 7.248 -5.189 14.543 497 HG2 PRO 66 2HG PRO 66 9.407 -5.143 12.457 498 HG3 PRO 66 1HG PRO 66 9.561 -5.312 14.217 499 HD2 PRO 66 2HD PRO 66 9.665 -7.443 12.548 500 HD3 PRO 66 1HD PRO 66 8.976 -7.555 14.180 501 H TYR 67 H TYR 67 4.544 -5.527 11.499 502 HA TYR 67 HA TYR 67 5.764 -4.071 9.250 503 HD1 TYR 67 HD2 TYR 67 4.271 -7.926 10.031 504 HD2 TYR 67 HD1 TYR 67 1.788 -5.046 8.106 505 HE1 TYR 67 HE2 TYR 67 2.279 -9.201 10.696 506 HE2 TYR 67 HE1 TYR 67 -0.208 -6.322 8.764 507 HH TYR 67 HH TYR 67 -0.813 -8.604 9.406 508 HB2 TYR 67 2HB TYR 67 4.177 -5.098 7.679 509 HB3 TYR 67 1HB TYR 67 5.206 -6.315 8.419 510 H PHE 68 H PHE 68 3.724 -3.034 7.939 511 HA PHE 68 HA PHE 68 1.703 -2.152 9.871 512 HD1 PHE 68 HD2 PHE 68 5.380 -0.716 8.521 513 HD2 PHE 68 HD1 PHE 68 1.790 0.825 6.820 514 HE1 PHE 68 HE2 PHE 68 6.649 0.088 6.573 515 HE2 PHE 68 HE1 PHE 68 3.056 1.629 4.873 516 HZ PHE 68 HZ PHE 68 5.487 1.263 4.748 517 HB2 PHE 68 2HB PHE 68 1.871 0.185 9.138 518 HB3 PHE 68 1HB PHE 68 3.361 -0.375 9.881 519 H ASN 69 H ASN 69 -0.126 -1.015 8.807 520 HA ASN 69 HA ASN 69 -0.648 -1.825 6.059 521 HB2 ASN 69 2HB ASN 69 -1.304 -3.763 7.468 522 HB3 ASN 69 1HB ASN 69 -2.380 -2.718 8.388 523 HD21 ASN 69 1HD2 ASN 69 -4.061 -4.180 7.787 524 HD22 ASN 69 2HD2 ASN 69 -4.780 -4.084 6.221 525 H LEU 70 H LEU 70 -2.234 -0.568 5.065 526 HA LEU 70 HA LEU 70 -3.065 1.796 6.621 527 HG LEU 70 HG LEU 70 -4.062 3.422 4.128 528 HB2 LEU 70 2HB LEU 70 -1.369 2.253 4.883 529 HB3 LEU 70 1HB LEU 70 -2.449 1.601 3.664 530 HD11 LEU 70 1HD1 LEU 70 -3.502 3.846 6.458 531 HD12 LEU 70 2HD1 LEU 70 -3.387 5.324 5.505 532 HD13 LEU 70 3HD1 LEU 70 -1.920 4.470 5.981 533 HD21 LEU 70 3HD2 LEU 70 -1.271 4.385 3.480 534 HD22 LEU 70 1HD2 LEU 70 -2.773 5.229 3.101 535 HD23 LEU 70 2HD2 LEU 70 -2.415 3.682 2.338 536 H LYS 71 H LYS 71 -5.152 2.187 6.811 537 HA LYS 71 HA LYS 71 -7.071 0.754 5.088 538 HB2 LYS 71 2HB LYS 71 -7.483 1.983 7.827 539 HB3 LYS 71 1HB LYS 71 -8.711 1.131 6.897 540 HG2 LYS 71 2HG LYS 71 -7.268 -0.910 7.021 541 HG3 LYS 71 1HG LYS 71 -6.203 -0.019 8.113 542 HD2 LYS 71 2HD LYS 71 -8.329 0.418 9.510 543 HD3 LYS 71 1HD LYS 71 -9.059 -0.872 8.552 544 HE2 LYS 71 2HE LYS 71 -8.252 -1.906 10.515 545 HE3 LYS 71 1HE LYS 71 -7.086 -2.314 9.257 546 HZ1 LYS 71 3HZ LYS 71 -6.806 -0.316 11.425 547 HZ2 LYS 71 1HZ LYS 71 -5.784 -0.335 10.078 548 HZ3 LYS 71 2HZ LYS 71 -5.838 -1.665 11.119 549 H ALA 72 H ALA 72 -8.922 1.874 4.304 550 HA ALA 72 HA ALA 72 -8.589 4.783 4.036 551 HB1 ALA 72 3HB ALA 72 -8.908 3.418 1.993 552 HB2 ALA 72 1HB ALA 72 -10.145 4.657 2.203 553 HB3 ALA 72 2HB ALA 72 -10.512 2.974 2.576 554 H ALA 73 H ALA 73 -10.917 5.904 3.819 555 HA ALA 73 HA ALA 73 -11.888 6.230 6.387 556 HB1 ALA 73 3HB ALA 73 -13.359 6.798 3.814 557 HB2 ALA 73 1HB ALA 73 -12.187 7.860 4.592 558 HB3 ALA 73 2HB ALA 73 -13.717 7.500 5.393 559 H ASN 74 H ASN 74 -13.166 4.057 3.876 560 HA ASN 74 HA ASN 74 -15.416 3.240 5.515 561 HB2 ASN 74 2HB ASN 74 -15.430 3.382 2.970 562 HB3 ASN 74 1HB ASN 74 -14.447 1.925 2.973 563 HD21 ASN 74 1HD2 ASN 74 -15.995 0.701 1.930 564 HD22 ASN 74 2HD2 ASN 74 -17.458 0.207 2.699 565 H HIS 75 H HIS 75 -12.369 2.696 6.057 566 HA HIS 75 HA HIS 75 -11.262 1.267 7.437 567 HD1 HIS 75 HD1 HIS 75 -11.832 1.747 10.170 568 HD2 HIS 75 HD2 HIS 75 -15.620 1.756 8.456 569 HE1 HIS 75 HE1 HIS 75 -13.132 3.493 11.418 570 HE2 HIS 75 HE2 HIS 75 -15.353 3.601 10.252 571 HB2 HIS 75 2HB HIS 75 -13.901 -0.204 7.647 572 HB3 HIS 75 1HB HIS 75 -12.508 -0.435 8.697 573 H GLN 76 H GLN 76 -11.645 0.784 4.505 574 HA GLN 76 HA GLN 76 -11.352 -2.088 4.187 575 HB2 GLN 76 2HB GLN 76 -11.271 -1.581 1.800 576 HB3 GLN 76 1HB GLN 76 -12.618 -0.738 2.555 577 HG2 GLN 76 2HG GLN 76 -10.988 1.252 2.736 578 HG3 GLN 76 1HG GLN 76 -10.029 0.376 1.545 579 HE21 GLN 76 1HE2 GLN 76 -12.906 2.177 2.133 580 HE22 GLN 76 2HE2 GLN 76 -13.423 2.298 0.490 581 H ILE 77 H ILE 77 -9.463 -3.117 3.350 582 HA ILE 77 HA ILE 77 -6.976 -1.920 4.239 583 HB ILE 77 HB ILE 77 -7.458 -4.609 2.933 584 HG12 ILE 77 2HG1 ILE 77 -8.719 -4.445 5.010 585 HG13 ILE 77 1HG1 ILE 77 -7.337 -5.505 5.251 586 HG21 ILE 77 1HG2 ILE 77 -5.289 -5.226 3.930 587 HG22 ILE 77 2HG2 ILE 77 -5.080 -3.559 4.470 588 HG23 ILE 77 3HG2 ILE 77 -5.141 -3.925 2.746 589 HD11 ILE 77 3HD1 ILE 77 -7.681 -4.064 7.162 590 HD12 ILE 77 1HD1 ILE 77 -7.549 -2.635 6.135 591 HD13 ILE 77 2HD1 ILE 77 -6.151 -3.684 6.372 592 H ILE 78 H ILE 78 -6.115 -0.411 2.889 593 HA ILE 78 HA ILE 78 -6.295 -0.855 -0.010 594 HB ILE 78 HB ILE 78 -5.692 1.528 -0.262 595 HG12 ILE 78 2HG1 ILE 78 -5.863 1.586 2.769 596 HG13 ILE 78 1HG1 ILE 78 -4.409 1.842 1.810 597 HG21 ILE 78 1HG2 ILE 78 -7.837 2.431 0.520 598 HG22 ILE 78 2HG2 ILE 78 -8.069 1.002 1.527 599 HG23 ILE 78 3HG2 ILE 78 -8.026 0.845 -0.228 600 HD11 ILE 78 3HD1 ILE 78 -6.846 3.610 1.827 601 HD12 ILE 78 1HD1 ILE 78 -5.391 3.870 0.867 602 HD13 ILE 78 2HD1 ILE 78 -5.311 3.940 2.627 603 H GLY 79 H GLY 79 -3.873 -0.723 2.543 604 HA2 GLY 79 2HA GLY 79 -1.908 -1.618 0.577 605 HA3 GLY 79 1HA GLY 79 -1.568 -0.043 1.266 606 H THR 80 H THR 80 -1.043 -3.339 1.576 607 HA THR 80 HA THR 80 -0.246 -3.122 4.413 608 HB THR 80 HB THR 80 -0.418 -5.623 2.701 609 HG1 THR 80 HG1 THR 80 -2.311 -4.234 4.200 610 HG21 THR 80 3HG2 THR 80 1.159 -5.811 4.583 611 HG22 THR 80 1HG2 THR 80 -0.263 -6.823 4.835 612 HG23 THR 80 2HG2 THR 80 -0.108 -5.292 5.694 613 H SER 81 H SER 81 1.912 -3.304 5.021 614 HA SER 81 HA SER 81 3.881 -3.018 2.886 615 HG SER 81 HG SER 81 5.108 -3.792 6.210 616 HB2 SER 81 2HB SER 81 5.418 -2.321 4.588 617 HB3 SER 81 1HB SER 81 3.867 -1.571 4.965 618 H GLN 82 H GLN 82 6.134 -4.063 3.489 619 HA GLN 82 HA GLN 82 5.821 -6.928 3.578 620 HB2 GLN 82 2HB GLN 82 8.242 -7.013 3.314 621 HB3 GLN 82 1HB GLN 82 7.560 -5.859 2.176 622 HG2 GLN 82 2HG GLN 82 8.253 -4.010 3.572 623 HG3 GLN 82 1HG GLN 82 8.833 -5.121 4.809 624 HE21 GLN 82 1HE2 GLN 82 9.987 -6.960 2.836 625 HE22 GLN 82 2HE2 GLN 82 11.418 -6.186 2.261 626 H MET 83 H MET 83 7.226 -8.240 5.109 627 HA MET 83 HA MET 83 6.782 -7.313 7.840 628 HB2 MET 83 2HB MET 83 7.745 -9.979 6.771 629 HB3 MET 83 1HB MET 83 7.420 -9.637 8.465 630 HG2 MET 83 2HG MET 83 5.068 -9.202 7.920 631 HG3 MET 83 1HG MET 83 5.399 -9.562 6.226 632 HE1 MET 83 3HE MET 83 3.409 -11.377 6.220 633 HE2 MET 83 1HE MET 83 3.088 -10.970 7.907 634 HE3 MET 83 2HE MET 83 3.277 -12.656 7.428 635 H TYR 84 H TYR 84 8.319 -6.157 8.815 636 HA TYR 84 HA TYR 84 11.108 -6.337 7.968 637 HD1 TYR 84 HD1 TYR 84 7.916 -3.867 8.546 638 HD2 TYR 84 HD2 TYR 84 11.950 -3.464 7.241 639 HE1 TYR 84 HE1 TYR 84 7.174 -2.385 6.731 640 HE2 TYR 84 HE2 TYR 84 11.219 -1.983 5.420 641 HH TYR 84 HH TYR 84 9.208 -1.491 4.137 642 HB2 TYR 84 2HB TYR 84 9.780 -4.510 9.993 643 HB3 TYR 84 1HB TYR 84 11.442 -4.378 9.433 644 H SER 85 H SER 85 12.672 -5.944 9.991 645 HA SER 85 HA SER 85 11.989 -7.853 12.150 646 HG SER 85 HG SER 85 12.957 -9.506 10.866 647 HB2 SER 85 2HB SER 85 14.717 -7.285 10.948 648 HB3 SER 85 1HB SER 85 14.434 -8.306 12.357 649 H SER 86 H SER 86 12.161 -4.712 11.542 650 HA SER 86 HA SER 86 12.973 -4.046 14.290 651 HG SER 86 HG SER 86 14.597 -1.697 14.302 652 HB2 SER 86 2HB SER 86 14.883 -3.375 13.000 653 HB3 SER 86 1HB SER 86 13.865 -2.624 11.769 654 H THR 87 H THR 87 11.601 -2.691 15.322 655 HA THR 87 HA THR 87 9.134 -1.921 14.102 656 HB THR 87 HB THR 87 8.643 -0.761 16.228 657 HG1 THR 87 HG1 THR 87 10.358 0.003 17.222 658 HG21 THR 87 3HG2 THR 87 8.236 -3.168 16.097 659 HG22 THR 87 1HG2 THR 87 8.764 -2.718 17.719 660 HG23 THR 87 2HG2 THR 87 9.894 -3.491 16.607 661 H ALA 88 H ALA 88 12.086 -0.174 15.005 662 HA ALA 88 HA ALA 88 11.218 2.429 14.416 663 HB1 ALA 88 3HB ALA 88 13.584 3.013 14.262 664 HB2 ALA 88 1HB ALA 88 14.009 1.304 14.156 665 HB3 ALA 88 2HB ALA 88 13.290 1.943 15.633 666 H ALA 89 H ALA 89 12.979 0.114 12.324 667 HA ALA 89 HA ALA 89 12.970 1.673 9.983 668 HB1 ALA 89 3HB ALA 89 13.422 -0.412 8.794 669 HB2 ALA 89 1HB ALA 89 12.935 -1.340 10.213 670 HB3 ALA 89 2HB ALA 89 14.372 -0.317 10.277 671 H ARG 90 H ARG 90 10.518 -0.350 11.410 672 HA ARG 90 HA ARG 90 8.773 -0.566 9.185 673 HE ARG 90 HE ARG 90 6.174 0.869 12.638 674 HB2 ARG 90 2HB ARG 90 8.775 -2.029 11.217 675 HB3 ARG 90 1HB ARG 90 8.126 -0.691 12.144 676 HG2 ARG 90 2HG ARG 90 6.672 -1.776 9.752 677 HG3 ARG 90 1HG ARG 90 6.534 -2.535 11.337 678 HD2 ARG 90 2HD ARG 90 5.698 0.238 10.511 679 HD3 ARG 90 1HD ARG 90 4.694 -1.057 11.164 680 HH11 ARG 90 1HH1 ARG 90 5.062 -2.401 12.782 681 HH12 ARG 90 2HH1 ARG 90 5.112 -2.439 14.510 682 HH21 ARG 90 1HH2 ARG 90 6.224 0.801 14.823 683 HH22 ARG 90 2HH2 ARG 90 5.766 -0.649 15.655 684 H ASP 91 H ASP 91 8.639 1.591 12.063 685 HA ASP 91 HA ASP 91 6.484 3.156 11.059 686 HB2 ASP 91 2HB ASP 91 8.523 3.802 13.205 687 HB3 ASP 91 1HB ASP 91 7.067 4.741 12.887 688 H ASN 92 H ASN 92 9.998 3.475 10.831 689 HA ASN 92 HA ASN 92 10.075 5.973 9.520 690 HB2 ASN 92 2HB ASN 92 11.936 3.587 9.406 691 HB3 ASN 92 1HB ASN 92 12.266 5.094 8.552 692 HD21 ASN 92 1HD2 ASN 92 14.159 5.336 9.820 693 HD22 ASN 92 2HD2 ASN 92 14.065 5.894 11.450 694 H GLY 93 H GLY 93 9.577 2.676 8.307 695 HA2 GLY 93 2HA GLY 93 9.456 3.205 5.557 696 HA3 GLY 93 1HA GLY 93 8.556 1.937 6.379 697 H ILE 94 H ILE 94 6.897 3.431 8.027 698 HA ILE 94 HA ILE 94 4.791 4.311 6.421 699 HB ILE 94 HB ILE 94 5.412 5.261 9.233 700 HG12 ILE 94 2HG1 ILE 94 3.782 2.877 8.293 701 HG13 ILE 94 1HG1 ILE 94 5.358 2.798 9.077 702 HG21 ILE 94 1HG2 ILE 94 3.714 6.627 8.121 703 HG22 ILE 94 2HG2 ILE 94 2.993 5.656 9.407 704 HG23 ILE 94 3HG2 ILE 94 2.794 5.175 7.721 705 HD11 ILE 94 3HD1 ILE 94 2.811 3.825 10.310 706 HD12 ILE 94 1HD1 ILE 94 4.389 3.784 11.098 707 HD13 ILE 94 2HD1 ILE 94 3.592 2.278 10.640 708 H LYS 95 H LYS 95 7.379 6.227 7.956 709 HA LYS 95 HA LYS 95 6.613 8.762 7.022 710 HB2 LYS 95 2HB LYS 95 9.347 7.627 7.632 711 HB3 LYS 95 1HB LYS 95 9.091 9.313 7.203 712 HG2 LYS 95 2HG LYS 95 7.711 9.651 9.155 713 HG3 LYS 95 1HG LYS 95 7.809 7.936 9.559 714 HD2 LYS 95 2HD LYS 95 9.340 9.327 10.919 715 HD3 LYS 95 1HD LYS 95 10.191 8.120 9.955 716 HE2 LYS 95 2HE LYS 95 11.372 10.242 9.883 717 HE3 LYS 95 1HE LYS 95 10.732 9.852 8.289 718 HZ1 LYS 95 3HZ LYS 95 9.537 11.764 10.227 719 HZ2 LYS 95 1HZ LYS 95 8.889 11.374 8.713 720 HZ3 LYS 95 2HZ LYS 95 10.375 12.168 8.812 721 H SER 96 H SER 96 8.664 6.291 5.465 722 HA SER 96 HA SER 96 9.320 7.666 3.127 723 HG SER 96 HG SER 96 11.292 5.142 3.101 724 HB2 SER 96 2HB SER 96 8.767 4.704 3.492 725 HB3 SER 96 1HB SER 96 9.498 5.406 2.048 726 H VAL 97 H VAL 97 6.343 5.977 3.972 727 HA VAL 97 HA VAL 97 5.055 6.207 1.451 728 HB VAL 97 HB VAL 97 3.669 6.230 4.131 729 HG11 VAL 97 1HG1 VAL 97 2.792 5.229 1.419 730 HG12 VAL 97 2HG1 VAL 97 2.194 6.663 2.257 731 HG13 VAL 97 3HG1 VAL 97 1.871 5.059 2.915 732 HG21 VAL 97 3HG2 VAL 97 5.295 4.426 4.143 733 HG22 VAL 97 1HG2 VAL 97 4.669 3.835 2.605 734 HG23 VAL 97 2HG2 VAL 97 3.654 3.786 4.045 735 H MET 98 H MET 98 5.128 8.298 4.303 736 HA MET 98 HA MET 98 3.336 10.269 3.330 737 HB2 MET 98 2HB MET 98 5.482 10.457 5.459 738 HB3 MET 98 1HB MET 98 4.228 11.661 5.185 739 HG2 MET 98 2HG MET 98 2.513 10.004 5.714 740 HG3 MET 98 1HG MET 98 3.760 8.789 5.972 741 HE1 MET 98 3HE MET 98 2.425 9.422 9.586 742 HE2 MET 98 1HE MET 98 2.764 8.217 8.343 743 HE3 MET 98 2HE MET 98 1.491 9.412 8.092 744 H GLU 99 H GLU 99 6.742 9.743 2.821 745 HA GLU 99 HA GLU 99 7.139 12.375 1.632 746 HB2 GLU 99 2HB GLU 99 8.933 10.033 2.201 747 HB3 GLU 99 1HB GLU 99 9.459 11.310 1.111 748 HG2 GLU 99 2HG GLU 99 8.609 11.695 3.978 749 HG3 GLU 99 1HG GLU 99 10.272 11.656 3.389 750 H ASN 100 H ASN 100 7.478 9.001 0.467 751 HA ASN 100 HA ASN 100 7.688 9.914 -2.280 752 HB2 ASN 100 2HB ASN 100 7.660 7.094 -1.170 753 HB3 ASN 100 1HB ASN 100 8.102 7.557 -2.812 754 HD21 ASN 100 1HD2 ASN 100 9.635 6.218 -0.662 755 HD22 ASN 100 2HD2 ASN 100 11.062 7.166 -0.464 756 H GLY 101 H GLY 101 5.145 8.930 -0.221 757 HA2 GLY 101 2HA GLY 101 3.453 7.827 -2.306 758 HA3 GLY 101 1HA GLY 101 3.010 8.096 -0.630 759 H LYS 102 H LYS 102 4.378 10.852 -2.096 760 HA LYS 102 HA LYS 102 1.759 12.146 -2.266 761 HB2 LYS 102 2HB LYS 102 4.446 13.442 -2.766 762 HB3 LYS 102 1HB LYS 102 2.934 14.226 -2.331 763 HG2 LYS 102 2HG LYS 102 4.602 12.453 -0.550 764 HG3 LYS 102 1HG LYS 102 4.483 14.208 -0.462 765 HD2 LYS 102 2HD LYS 102 2.176 12.299 -0.030 766 HD3 LYS 102 1HD LYS 102 3.135 13.024 1.257 767 HE2 LYS 102 2HE LYS 102 1.283 14.414 1.172 768 HE3 LYS 102 1HE LYS 102 2.450 15.281 0.179 769 HZ1 LYS 102 3HZ LYS 102 0.215 15.184 -0.803 770 HZ2 LYS 102 1HZ LYS 102 0.321 13.501 -0.880 771 HZ3 LYS 102 2HZ LYS 102 1.372 14.459 -1.795 772 H THR 103 H THR 103 3.038 10.166 -4.253 773 HA THR 103 HA THR 103 3.195 11.759 -6.702 774 HB THR 103 HB THR 103 4.920 10.074 -6.406 775 HG1 THR 103 HG1 THR 103 4.549 8.892 -8.384 776 HG21 THR 103 3HG2 THR 103 4.374 7.671 -6.369 777 HG22 THR 103 1HG2 THR 103 2.658 8.065 -6.307 778 HG23 THR 103 2HG2 THR 103 3.713 8.508 -4.965 779 H THR 104 H THR 104 1.837 11.498 -8.474 780 HA THR 104 HA THR 104 -0.662 9.980 -8.021 781 HB THR 104 HB THR 104 -1.706 11.443 -9.720 782 HG1 THR 104 HG1 THR 104 -0.017 13.463 -9.860 783 HG21 THR 104 3HG2 THR 104 -1.741 13.522 -8.395 784 HG22 THR 104 1HG2 THR 104 -0.343 12.951 -7.482 785 HG23 THR 104 2HG2 THR 104 -1.879 12.090 -7.375 786 H THR 105 H THR 105 2.164 9.410 -9.361 787 HA THR 105 HA THR 105 1.491 8.715 -12.071 788 HB THR 105 HB THR 105 3.924 7.902 -10.454 789 HG1 THR 105 HG1 THR 105 3.315 10.172 -12.045 790 HG21 THR 105 3HG2 THR 105 3.431 7.883 -13.441 791 HG22 THR 105 1HG2 THR 105 3.609 6.465 -12.405 792 HG23 THR 105 2HG2 THR 105 4.978 7.550 -12.660 793 H ILE 106 H ILE 106 0.122 7.080 -12.461 794 HA ILE 106 HA ILE 106 0.359 4.602 -10.872 795 HB ILE 106 HB ILE 106 -1.970 5.488 -12.596 796 HG12 ILE 106 2HG1 ILE 106 -1.696 5.531 -9.569 797 HG13 ILE 106 1HG1 ILE 106 -1.648 6.950 -10.611 798 HG21 ILE 106 1HG2 ILE 106 -3.189 3.665 -11.492 799 HG22 ILE 106 2HG2 ILE 106 -1.727 3.214 -10.614 800 HG23 ILE 106 3HG2 ILE 106 -1.786 3.058 -12.371 801 HD11 ILE 106 3HD1 ILE 106 -3.814 6.706 -9.546 802 HD12 ILE 106 1HD1 ILE 106 -4.001 5.104 -10.259 803 HD13 ILE 106 2HD1 ILE 106 -3.951 6.532 -11.295 804 H LYS 107 H LYS 107 0.921 2.724 -11.852 805 HA LYS 107 HA LYS 107 1.213 2.694 -14.792 806 HB2 LYS 107 2HB LYS 107 2.933 1.382 -12.675 807 HB3 LYS 107 1HB LYS 107 3.079 1.056 -14.396 808 HG2 LYS 107 2HG LYS 107 3.667 3.391 -14.803 809 HG3 LYS 107 1HG LYS 107 3.486 3.743 -13.083 810 HD2 LYS 107 2HD LYS 107 5.850 3.424 -13.759 811 HD3 LYS 107 1HD LYS 107 5.323 2.264 -12.539 812 HE2 LYS 107 2HE LYS 107 6.674 1.199 -14.297 813 HE3 LYS 107 1HE LYS 107 5.034 0.557 -14.252 814 HZ1 LYS 107 3HZ LYS 107 4.464 1.946 -16.132 815 HZ2 LYS 107 1HZ LYS 107 5.795 0.974 -16.511 816 HZ3 LYS 107 2HZ LYS 107 6.017 2.610 -16.154 817 H ASP 108 H ASP 108 -0.577 1.595 -15.446 818 HA ASP 108 HA ASP 108 -1.495 -0.770 -14.058 819 HB2 ASP 108 2HB ASP 108 -3.128 0.735 -15.073 820 HB3 ASP 108 1HB ASP 108 -2.400 0.495 -16.658 821 H LEU 109 H LEU 109 -0.143 -2.477 -14.207 822 HA LEU 109 HA LEU 109 1.215 -3.108 -16.715 823 HG LEU 109 HG LEU 109 2.314 -2.205 -13.863 824 HB2 LEU 109 2HB LEU 109 1.360 -4.464 -14.018 825 HB3 LEU 109 1HB LEU 109 2.391 -4.815 -15.393 826 HD11 LEU 109 1HD1 LEU 109 3.332 -4.045 -12.606 827 HD12 LEU 109 2HD1 LEU 109 4.533 -2.846 -13.081 828 HD13 LEU 109 3HD1 LEU 109 4.418 -4.372 -13.957 829 HD21 LEU 109 3HD2 LEU 109 2.837 -1.830 -16.223 830 HD22 LEU 109 1HD2 LEU 109 4.091 -3.068 -16.154 831 HD23 LEU 109 2HD2 LEU 109 4.265 -1.583 -15.219 832 H THR 110 H THR 110 -1.797 -3.654 -15.799 833 HA THR 110 HA THR 110 -2.030 -6.504 -16.033 834 HB THR 110 HB THR 110 -4.412 -6.208 -15.941 835 HG1 THR 110 HG1 THR 110 -3.955 -3.412 -16.341 836 HG21 THR 110 3HG2 THR 110 -4.661 -4.825 -13.928 837 HG22 THR 110 1HG2 THR 110 -3.060 -4.137 -14.202 838 HG23 THR 110 2HG2 THR 110 -3.233 -5.853 -13.830 839 H LEU 111 H LEU 111 -1.687 -4.019 -18.329 840 HA LEU 111 HA LEU 111 -3.089 -5.361 -20.475 841 HG LEU 111 HG LEU 111 -3.477 -2.463 -19.477 842 HB2 LEU 111 2HB LEU 111 -1.283 -2.943 -20.449 843 HB3 LEU 111 1HB LEU 111 -2.043 -3.568 -21.901 844 HD11 LEU 111 1HD1 LEU 111 -3.151 -1.366 -22.273 845 HD12 LEU 111 2HD1 LEU 111 -2.421 -0.723 -20.801 846 HD13 LEU 111 3HD1 LEU 111 -4.171 -0.673 -21.011 847 HD21 LEU 111 3HD2 LEU 111 -5.523 -2.721 -20.802 848 HD22 LEU 111 1HD2 LEU 111 -4.757 -4.278 -20.493 849 HD23 LEU 111 2HD2 LEU 111 -4.602 -3.518 -22.077 850 H GLU 112 H GLU 112 0.368 -4.701 -19.749 851 HA GLU 112 HA GLU 112 1.098 -7.037 -21.349 852 HB2 GLU 112 2HB GLU 112 2.774 -5.803 -22.648 853 HB3 GLU 112 1HB GLU 112 1.150 -5.209 -22.962 854 HG2 GLU 112 2HG GLU 112 1.517 -3.253 -21.649 855 HG3 GLU 112 1HG GLU 112 3.043 -3.884 -21.028 856 H HIS 113 H HIS 113 3.301 -7.736 -21.083 857 HA HIS 113 HA HIS 113 4.998 -6.508 -19.101 858 HD1 HIS 113 HD1 HIS 113 5.093 -10.898 -18.649 859 HD2 HIS 113 HD2 HIS 113 1.344 -9.110 -18.632 860 HE1 HIS 113 HE1 HIS 113 3.471 -12.739 -19.162 861 HE2 HIS 113 HE2 HIS 113 1.242 -11.592 -19.337 862 HB2 HIS 113 2HB HIS 113 5.076 -8.533 -17.628 863 HB3 HIS 113 1HB HIS 113 3.538 -7.683 -17.575 864 H HIS 114 H HIS 114 6.764 -6.519 -20.451 865 HA HIS 114 HA HIS 114 7.361 -8.894 -22.004 866 HD1 HIS 114 HD1 HIS 114 7.320 -4.597 -21.890 867 HD2 HIS 114 HD2 HIS 114 11.100 -6.210 -21.283 868 HE1 HIS 114 HE1 HIS 114 8.669 -2.766 -20.835 869 HE2 HIS 114 HE2 HIS 114 10.987 -3.714 -20.606 870 HB2 HIS 114 2HB HIS 114 9.276 -7.592 -22.916 871 HB3 HIS 114 1HB HIS 114 7.720 -6.810 -23.137 872 H HIS 115 H HIS 115 9.199 -7.041 -19.513 873 HA HIS 115 HA HIS 115 11.211 -7.556 -18.517 874 HD1 HIS 115 HD1 HIS 115 10.856 -7.972 -15.200 875 HD2 HIS 115 HD2 HIS 115 7.356 -8.393 -17.408 876 HE1 HIS 115 HE1 HIS 115 9.090 -6.746 -13.906 877 HE2 HIS 115 HE2 HIS 115 6.966 -7.091 -15.206 878 HB2 HIS 115 2HB HIS 115 9.605 -10.068 -17.975 879 HB3 HIS 115 1HB HIS 115 11.078 -9.626 -17.120 880 H HIS 116 H HIS 116 11.950 -7.694 -20.922 881 HA HIS 116 HA HIS 116 12.205 -10.243 -22.153 882 HD1 HIS 116 HD1 HIS 116 15.377 -8.997 -24.416 883 HD2 HIS 116 HD2 HIS 116 11.411 -9.927 -25.250 884 HE1 HIS 116 HE1 HIS 116 15.426 -10.317 -26.549 885 HE2 HIS 116 HE2 HIS 116 13.014 -10.727 -27.112 886 HB2 HIS 116 2HB HIS 116 12.000 -7.958 -23.287 887 HB3 HIS 116 1HB HIS 116 13.710 -7.743 -22.941 888 H HIS 117 H HIS 117 13.887 -11.645 -22.247 889 HA HIS 117 HA HIS 117 15.864 -11.519 -20.199 890 HD1 HIS 117 HD1 HIS 117 15.809 -14.821 -19.158 891 HD2 HIS 117 HD2 HIS 117 12.760 -13.554 -21.680 892 HE1 HIS 117 HE1 HIS 117 13.707 -15.811 -18.224 893 HE2 HIS 117 HE2 HIS 117 11.859 -14.887 -19.656 894 HB2 HIS 117 2HB HIS 117 15.567 -13.442 -22.521 895 HB3 HIS 117 1HB HIS 117 16.687 -13.653 -21.179 896 H HIS 118 H HIS 118 17.320 -9.894 -20.431 897 HA HIS 118 HA HIS 118 18.656 -9.307 -22.904 898 HD1 HIS 118 HD1 HIS 118 19.731 -6.465 -23.241 899 HD2 HIS 118 HD2 HIS 118 21.938 -8.102 -20.129 900 HE1 HIS 118 HE1 HIS 118 22.061 -5.590 -23.542 901 HE2 HIS 118 HE2 HIS 118 23.349 -6.493 -21.580 902 HB2 HIS 118 2HB HIS 118 18.298 -7.521 -21.313 903 HB3 HIS 118 1HB HIS 118 19.174 -8.396 -20.062 Start of MODEL 3 1 HA MET 1 HA MET 1 14.063 10.344 -5.585 2 H1 MET 1 1H MET 1 14.859 12.613 -5.851 3 H2 MET 1 2H MET 1 13.324 13.212 -5.456 4 H3 MET 1 3H MET 1 13.539 12.285 -6.850 5 HB2 MET 1 2HB MET 1 13.914 10.396 -3.111 6 HB3 MET 1 1HB MET 1 15.203 11.416 -3.728 7 HG2 MET 1 2HG MET 1 13.763 13.386 -3.431 8 HG3 MET 1 1HG MET 1 12.506 12.347 -2.761 9 HE1 MET 1 3HE MET 1 12.362 13.815 -0.553 10 HE2 MET 1 1HE MET 1 13.573 14.901 -1.236 11 HE3 MET 1 2HE MET 1 13.773 14.277 0.399 12 H SER 2 H SER 2 11.853 11.424 -6.959 13 HA SER 2 HA SER 2 9.470 11.258 -5.351 14 HG SER 2 HG SER 2 8.942 13.561 -7.023 15 HB2 SER 2 2HB SER 2 9.747 11.285 -8.373 16 HB3 SER 2 1HB SER 2 8.271 11.595 -7.458 17 H GLY 3 H GLY 3 7.876 9.656 -5.398 18 HA2 GLY 3 2HA GLY 3 8.803 6.995 -6.278 19 HA3 GLY 3 1HA GLY 3 7.638 7.297 -5.000 20 H TRP 4 H TRP 4 6.426 5.608 -6.263 21 HA TRP 4 HA TRP 4 4.422 6.818 -7.902 22 HD1 TRP 4 HD1 TRP 4 5.232 2.980 -9.884 23 HE1 TRP 4 HE1 TRP 4 7.359 1.536 -9.885 24 HE3 TRP 4 HE3 TRP 4 8.685 6.590 -8.770 25 HZ2 TRP 4 HZ2 TRP 4 10.111 1.861 -9.453 26 HZ3 TRP 4 HZ3 TRP 4 11.051 5.933 -8.580 27 HH2 TRP 4 HH2 TRP 4 11.751 3.617 -8.919 28 HB2 TRP 4 2HB TRP 4 4.863 5.630 -9.998 29 HB3 TRP 4 1HB TRP 4 6.229 6.657 -9.578 30 H TYR 5 H TYR 5 2.788 5.260 -8.656 31 HA TYR 5 HA TYR 5 2.673 2.819 -7.002 32 HD1 TYR 5 HD1 TYR 5 1.052 6.455 -7.152 33 HD2 TYR 5 HD2 TYR 5 0.132 2.835 -5.105 34 HE1 TYR 5 HE1 TYR 5 0.693 7.726 -5.075 35 HE2 TYR 5 HE2 TYR 5 -0.224 4.094 -3.025 36 HH TYR 5 HH TYR 5 0.449 6.239 -2.028 37 HB2 TYR 5 2HB TYR 5 0.461 4.378 -8.377 38 HB3 TYR 5 1HB TYR 5 0.217 2.874 -7.502 39 H GLU 6 H GLU 6 2.315 0.814 -7.950 40 HA GLU 6 HA GLU 6 2.003 0.725 -10.886 41 HB2 GLU 6 2HB GLU 6 3.841 -0.993 -9.201 42 HB3 GLU 6 1HB GLU 6 3.419 -1.356 -10.868 43 HG2 GLU 6 2HG GLU 6 4.362 0.868 -11.512 44 HG3 GLU 6 1HG GLU 6 4.931 1.041 -9.854 45 H LEU 7 H LEU 7 0.222 -0.314 -11.481 46 HA LEU 7 HA LEU 7 -1.143 -2.058 -9.547 47 HG LEU 7 HG LEU 7 -3.317 -2.938 -11.455 48 HB2 LEU 7 2HB LEU 7 -2.455 -0.220 -10.464 49 HB3 LEU 7 1HB LEU 7 -2.122 -0.767 -12.097 50 HD11 LEU 7 1HD1 LEU 7 -4.923 -2.796 -9.624 51 HD12 LEU 7 2HD1 LEU 7 -4.285 -1.213 -9.179 52 HD13 LEU 7 3HD1 LEU 7 -3.265 -2.647 -9.040 53 HD21 LEU 7 3HD2 LEU 7 -4.873 -0.357 -11.584 54 HD22 LEU 7 1HD2 LEU 7 -5.535 -1.968 -11.866 55 HD23 LEU 7 2HD2 LEU 7 -4.306 -1.321 -12.948 56 H SER 8 H SER 8 -0.883 -4.201 -9.756 57 HA SER 8 HA SER 8 -0.506 -5.320 -12.470 58 HG SER 8 HG SER 8 -0.154 -5.972 -9.030 59 HB2 SER 8 2HB SER 8 0.636 -7.221 -11.438 60 HB3 SER 8 1HB SER 8 1.403 -5.721 -10.915 61 H LYS 9 H LYS 9 -1.509 -7.445 -12.879 62 HA LYS 9 HA LYS 9 -4.066 -7.686 -11.417 63 HB2 LYS 9 2HB LYS 9 -4.207 -6.999 -13.830 64 HB3 LYS 9 1HB LYS 9 -3.518 -8.558 -14.265 65 HG2 LYS 9 2HG LYS 9 -5.432 -9.686 -13.208 66 HG3 LYS 9 1HG LYS 9 -6.123 -8.113 -12.810 67 HD2 LYS 9 2HD LYS 9 -7.215 -8.902 -14.783 68 HD3 LYS 9 1HD LYS 9 -6.139 -7.590 -15.260 69 HE2 LYS 9 2HE LYS 9 -4.503 -9.168 -16.084 70 HE3 LYS 9 1HE LYS 9 -5.457 -10.524 -15.481 71 HZ1 LYS 9 3HZ LYS 9 -7.200 -9.963 -17.031 72 HZ2 LYS 9 1HZ LYS 9 -5.744 -10.176 -17.868 73 HZ3 LYS 9 2HZ LYS 9 -6.334 -8.616 -17.584 74 H SER 10 H SER 10 -4.819 -9.688 -10.803 75 HA SER 10 HA SER 10 -2.837 -11.819 -10.583 76 HG SER 10 HG SER 10 -3.775 -13.330 -8.332 77 HB2 SER 10 2HB SER 10 -4.072 -11.242 -8.565 78 HB3 SER 10 1HB SER 10 -5.608 -11.528 -9.382 79 H SER 11 H SER 11 -3.697 -14.129 -10.813 80 HA SER 11 HA SER 11 -4.447 -14.562 -13.509 81 HG SER 11 HG SER 11 -5.074 -17.354 -10.889 82 HB2 SER 11 2HB SER 11 -4.539 -16.967 -12.883 83 HB3 SER 11 1HB SER 11 -3.066 -16.179 -12.319 84 H ASN 12 H ASN 12 -6.355 -14.036 -10.710 85 HA ASN 12 HA ASN 12 -8.781 -15.160 -11.894 86 HB2 ASN 12 2HB ASN 12 -8.450 -13.546 -9.351 87 HB3 ASN 12 1HB ASN 12 -9.885 -14.441 -9.839 88 HD21 ASN 12 1HD2 ASN 12 -8.331 -14.716 -7.438 89 HD22 ASN 12 2HD2 ASN 12 -7.752 -16.344 -7.408 90 H ASP 13 H ASP 13 -7.126 -12.644 -12.795 91 HA ASP 13 HA ASP 13 -7.457 -10.601 -13.683 92 HB2 ASP 13 2HB ASP 13 -10.251 -11.701 -13.843 93 HB3 ASP 13 1HB ASP 13 -9.893 -10.063 -14.386 94 H GLN 14 H GLN 14 -7.874 -11.124 -10.690 95 HA GLN 14 HA GLN 14 -9.274 -8.695 -9.895 96 HB2 GLN 14 2HB GLN 14 -7.790 -10.792 -8.284 97 HB3 GLN 14 1HB GLN 14 -8.580 -9.387 -7.580 98 HG2 GLN 14 2HG GLN 14 -10.740 -10.164 -8.412 99 HG3 GLN 14 1HG GLN 14 -9.957 -11.554 -9.162 100 HE21 GLN 14 1HE2 GLN 14 -10.910 -10.086 -6.143 101 HE22 GLN 14 2HE2 GLN 14 -10.739 -11.510 -5.179 102 H PHE 15 H PHE 15 -8.312 -6.796 -9.420 103 HA PHE 15 HA PHE 15 -5.533 -6.521 -10.228 104 HD1 PHE 15 HD2 PHE 15 -9.268 -5.712 -10.945 105 HD2 PHE 15 HD1 PHE 15 -5.586 -4.260 -12.527 106 HE1 PHE 15 HE2 PHE 15 -10.143 -5.986 -13.229 107 HE2 PHE 15 HE1 PHE 15 -6.459 -4.540 -14.810 108 HZ PHE 15 HZ PHE 15 -8.737 -5.403 -15.163 109 HB2 PHE 15 2HB PHE 15 -7.618 -4.432 -9.550 110 HB3 PHE 15 1HB PHE 15 -6.019 -4.094 -10.206 111 H LYS 16 H LYS 16 -3.879 -5.646 -9.014 112 HA LYS 16 HA LYS 16 -4.292 -4.959 -6.208 113 HB2 LYS 16 2HB LYS 16 -2.440 -6.564 -5.540 114 HB3 LYS 16 1HB LYS 16 -3.981 -7.304 -5.960 115 HG2 LYS 16 2HG LYS 16 -3.095 -7.830 -8.203 116 HG3 LYS 16 1HG LYS 16 -1.541 -7.134 -7.735 117 HD2 LYS 16 2HD LYS 16 -1.275 -8.819 -6.000 118 HD3 LYS 16 1HD LYS 16 -2.873 -9.478 -6.359 119 HE2 LYS 16 2HE LYS 16 -2.125 -10.101 -8.601 120 HE3 LYS 16 1HE LYS 16 -0.534 -9.416 -8.271 121 HZ1 LYS 16 3HZ LYS 16 -0.531 -11.805 -8.000 122 HZ2 LYS 16 1HZ LYS 16 -1.765 -11.715 -6.850 123 HZ3 LYS 16 2HZ LYS 16 -0.245 -11.056 -6.516 124 H PHE 17 H PHE 17 -3.055 -3.220 -5.732 125 HA PHE 17 HA PHE 17 -0.870 -2.554 -7.595 126 HD1 PHE 17 HD1 PHE 17 -1.264 0.479 -4.643 127 HD2 PHE 17 HD2 PHE 17 -4.679 -1.360 -6.409 128 HE1 PHE 17 HE1 PHE 17 -2.640 1.207 -2.739 129 HE2 PHE 17 HE2 PHE 17 -6.056 -0.633 -4.506 130 HZ PHE 17 HZ PHE 17 -5.038 0.651 -2.668 131 HB2 PHE 17 2HB PHE 17 -1.268 -0.189 -6.985 132 HB3 PHE 17 1HB PHE 17 -2.674 -0.953 -7.709 133 H VAL 18 H VAL 18 1.031 -1.601 -6.874 134 HA VAL 18 HA VAL 18 1.642 -1.859 -3.994 135 HB VAL 18 HB VAL 18 3.942 -2.494 -4.591 136 HG11 VAL 18 1HG1 VAL 18 3.492 -4.763 -5.427 137 HG12 VAL 18 2HG1 VAL 18 1.860 -4.265 -5.880 138 HG13 VAL 18 3HG1 VAL 18 2.340 -4.276 -4.183 139 HG21 VAL 18 3HG2 VAL 18 4.540 -3.077 -6.897 140 HG22 VAL 18 1HG2 VAL 18 4.097 -1.374 -6.765 141 HG23 VAL 18 2HG2 VAL 18 2.957 -2.531 -7.451 142 H LEU 19 H LEU 19 3.231 -0.366 -3.167 143 HA LEU 19 HA LEU 19 3.483 2.095 -4.782 144 HG LEU 19 HG LEU 19 4.822 3.614 -2.187 145 HB2 LEU 19 2HB LEU 19 2.101 2.458 -2.841 146 HB3 LEU 19 1HB LEU 19 3.304 1.735 -1.790 147 HD11 LEU 19 1HD1 LEU 19 4.074 5.604 -3.412 148 HD12 LEU 19 2HD1 LEU 19 2.622 4.739 -3.922 149 HD13 LEU 19 3HD1 LEU 19 4.211 4.191 -4.457 150 HD21 LEU 19 3HD2 LEU 19 3.556 5.355 -1.023 151 HD22 LEU 19 1HD2 LEU 19 3.247 3.763 -0.330 152 HD23 LEU 19 2HD2 LEU 19 2.050 4.511 -1.390 153 H LYS 20 H LYS 20 5.444 2.607 -5.456 154 HA LYS 20 HA LYS 20 7.827 1.495 -4.153 155 HB2 LYS 20 2HB LYS 20 7.311 2.798 -6.817 156 HB3 LYS 20 1HB LYS 20 8.943 2.729 -6.179 157 HG2 LYS 20 2HG LYS 20 8.527 0.934 -7.755 158 HG3 LYS 20 1HG LYS 20 8.856 0.301 -6.144 159 HD2 LYS 20 2HD LYS 20 6.656 -0.362 -5.820 160 HD3 LYS 20 1HD LYS 20 6.030 0.736 -7.049 161 HE2 LYS 20 2HE LYS 20 5.995 -1.664 -7.713 162 HE3 LYS 20 1HE LYS 20 6.908 -0.630 -8.805 163 HZ1 LYS 20 3HZ LYS 20 8.066 -2.403 -6.722 164 HZ2 LYS 20 1HZ LYS 20 8.950 -1.397 -7.757 165 HZ3 LYS 20 2HZ LYS 20 8.062 -2.693 -8.384 166 H ALA 21 H ALA 21 9.272 2.717 -3.037 167 HA ALA 21 HA ALA 21 8.823 5.539 -2.609 168 HB1 ALA 21 3HB ALA 21 9.692 4.152 -0.799 169 HB2 ALA 21 1HB ALA 21 10.848 5.416 -1.216 170 HB3 ALA 21 2HB ALA 21 11.116 3.760 -1.761 171 H GLY 22 H GLY 22 11.032 6.918 -2.775 172 HA2 GLY 22 2HA GLY 22 11.457 7.463 -5.466 173 HA3 GLY 22 1HA GLY 22 12.512 7.989 -4.168 174 H ASN 23 H ASN 23 13.003 5.014 -3.567 175 HA ASN 23 HA ASN 23 15.216 4.721 -5.466 176 HB2 ASN 23 2HB ASN 23 16.093 3.078 -3.839 177 HB3 ASN 23 1HB ASN 23 15.776 4.643 -3.097 178 HD21 ASN 23 1HD2 ASN 23 15.969 2.062 -1.825 179 HD22 ASN 23 2HD2 ASN 23 14.462 1.793 -1.029 180 H GLY 24 H GLY 24 12.122 3.736 -5.483 181 HA2 GLY 24 2HA GLY 24 11.081 2.172 -6.845 182 HA3 GLY 24 1HA GLY 24 12.653 1.493 -7.228 183 H GLU 25 H GLU 25 11.901 1.825 -3.880 184 HA GLU 25 HA GLU 25 11.761 -1.087 -3.620 185 HB2 GLU 25 2HB GLU 25 13.374 0.249 -2.266 186 HB3 GLU 25 1HB GLU 25 12.016 1.032 -1.471 187 HG2 GLU 25 2HG GLU 25 11.346 -0.999 -0.427 188 HG3 GLU 25 1HG GLU 25 12.462 -1.946 -1.411 189 H VAL 26 H VAL 26 10.032 -2.202 -2.783 190 HA VAL 26 HA VAL 26 7.476 -0.838 -2.802 191 HB VAL 26 HB VAL 26 8.101 -3.760 -2.303 192 HG11 VAL 26 1HG1 VAL 26 5.709 -4.136 -2.767 193 HG12 VAL 26 2HG1 VAL 26 5.458 -2.392 -2.854 194 HG13 VAL 26 3HG1 VAL 26 5.954 -3.137 -1.334 195 HG21 VAL 26 3HG2 VAL 26 8.758 -3.017 -4.545 196 HG22 VAL 26 1HG2 VAL 26 7.138 -2.369 -4.809 197 HG23 VAL 26 2HG2 VAL 26 7.373 -4.107 -4.615 198 H ILE 27 H ILE 27 6.556 0.015 -1.086 199 HA ILE 27 HA ILE 27 7.329 -0.914 1.609 200 HB ILE 27 HB ILE 27 6.395 1.334 2.355 201 HG12 ILE 27 2HG1 ILE 27 6.508 1.827 -0.639 202 HG13 ILE 27 1HG1 ILE 27 5.077 1.892 0.382 203 HG21 ILE 27 1HG2 ILE 27 8.794 0.857 2.225 204 HG22 ILE 27 2HG2 ILE 27 8.449 2.530 1.790 205 HG23 ILE 27 3HG2 ILE 27 8.805 1.348 0.529 206 HD11 ILE 27 3HD1 ILE 27 5.848 4.108 -0.195 207 HD12 ILE 27 1HD1 ILE 27 7.429 3.763 0.503 208 HD13 ILE 27 2HD1 ILE 27 6.001 3.831 1.541 209 H LEU 28 H LEU 28 4.513 -0.007 -0.366 210 HA LEU 28 HA LEU 28 2.807 -1.494 1.530 211 HG LEU 28 HG LEU 28 1.160 1.731 2.295 212 HB2 LEU 28 2HB LEU 28 2.310 1.139 0.174 213 HB3 LEU 28 1HB LEU 28 0.950 0.103 0.557 214 HD11 LEU 28 1HD1 LEU 28 0.550 -0.515 3.023 215 HD12 LEU 28 2HD1 LEU 28 1.453 0.344 4.269 216 HD13 LEU 28 3HD1 LEU 28 2.252 -0.893 3.298 217 HD21 LEU 28 3HD2 LEU 28 4.019 0.846 2.665 218 HD22 LEU 28 1HD2 LEU 28 3.164 2.056 3.621 219 HD23 LEU 28 2HD2 LEU 28 3.500 2.356 1.915 220 H THR 29 H THR 29 1.843 -3.193 0.685 221 HA THR 29 HA THR 29 1.138 -3.256 -2.186 222 HB THR 29 HB THR 29 2.193 -5.567 -0.523 223 HG1 THR 29 HG1 THR 29 3.852 -5.510 -2.205 224 HG21 THR 29 3HG2 THR 29 0.443 -6.341 -2.048 225 HG22 THR 29 1HG2 THR 29 2.025 -6.900 -2.591 226 HG23 THR 29 2HG2 THR 29 1.245 -5.542 -3.399 227 H SER 30 H SER 30 -1.062 -3.194 -2.284 228 HA SER 30 HA SER 30 -2.649 -4.138 -0.037 229 HG SER 30 HG SER 30 -5.483 -2.533 -1.402 230 HB2 SER 30 2HB SER 30 -3.268 -2.040 -1.182 231 HB3 SER 30 1HB SER 30 -3.576 -2.947 -2.665 232 H GLU 31 H GLU 31 -4.655 -5.452 -0.473 233 HA GLU 31 HA GLU 31 -3.905 -7.921 -1.767 234 HB2 GLU 31 2HB GLU 31 -6.223 -7.039 -0.070 235 HB3 GLU 31 1HB GLU 31 -6.333 -8.541 -0.970 236 HG2 GLU 31 2HG GLU 31 -5.631 -9.039 1.251 237 HG3 GLU 31 1HG GLU 31 -4.279 -9.331 0.162 238 H LEU 32 H LEU 32 -6.300 -8.933 -2.706 239 HA LEU 32 HA LEU 32 -6.263 -7.926 -5.368 240 HG LEU 32 HG LEU 32 -5.759 -10.720 -4.036 241 HB2 LEU 32 2HB LEU 32 -8.101 -9.940 -4.066 242 HB3 LEU 32 1HB LEU 32 -7.984 -9.654 -5.793 243 HD11 LEU 32 1HD1 LEU 32 -7.475 -12.111 -6.094 244 HD12 LEU 32 2HD1 LEU 32 -7.538 -12.348 -4.346 245 HD13 LEU 32 3HD1 LEU 32 -6.096 -12.817 -5.247 246 HD21 LEU 32 3HD2 LEU 32 -4.571 -11.112 -6.152 247 HD22 LEU 32 1HD2 LEU 32 -4.872 -9.396 -5.873 248 HD23 LEU 32 2HD2 LEU 32 -5.866 -10.289 -7.027 249 H TYR 33 H TYR 33 -7.860 -6.949 -6.586 250 HA TYR 33 HA TYR 33 -10.273 -5.952 -5.205 251 HD1 TYR 33 HD2 TYR 33 -6.700 -4.520 -5.384 252 HD2 TYR 33 HD1 TYR 33 -10.528 -2.790 -4.669 253 HE1 TYR 33 HE2 TYR 33 -5.798 -3.335 -3.431 254 HE2 TYR 33 HE1 TYR 33 -9.627 -1.601 -2.717 255 HH TYR 33 HH TYR 33 -7.750 -1.861 -1.100 256 HB2 TYR 33 2HB TYR 33 -8.480 -4.470 -7.147 257 HB3 TYR 33 1HB TYR 33 -10.101 -3.926 -6.730 258 H THR 34 H THR 34 -12.172 -6.008 -6.377 259 HA THR 34 HA THR 34 -12.495 -8.012 -8.298 260 HB THR 34 HB THR 34 -14.790 -7.107 -8.623 261 HG1 THR 34 HG1 THR 34 -15.368 -5.239 -7.413 262 HG21 THR 34 3HG2 THR 34 -15.535 -7.399 -6.301 263 HG22 THR 34 1HG2 THR 34 -13.871 -7.223 -5.742 264 HG23 THR 34 2HG2 THR 34 -14.324 -8.603 -6.740 265 H GLY 35 H GLY 35 -12.443 -4.467 -8.776 266 HA2 GLY 35 2HA GLY 35 -11.828 -4.959 -11.626 267 HA3 GLY 35 1HA GLY 35 -13.090 -3.818 -11.189 268 H LYS 36 H LYS 36 -10.845 -3.144 -12.761 269 HA LYS 36 HA LYS 36 -8.690 -2.062 -11.326 270 HB2 LYS 36 2HB LYS 36 -8.567 -2.443 -13.738 271 HB3 LYS 36 1HB LYS 36 -9.791 -1.211 -14.017 272 HG2 LYS 36 2HG LYS 36 -8.317 0.520 -13.243 273 HG3 LYS 36 1HG LYS 36 -7.119 -0.665 -12.734 274 HD2 LYS 36 2HD LYS 36 -6.393 0.340 -14.799 275 HD3 LYS 36 1HD LYS 36 -6.834 -1.337 -15.113 276 HE2 LYS 36 2HE LYS 36 -8.827 0.865 -15.548 277 HE3 LYS 36 1HE LYS 36 -7.598 0.528 -16.763 278 HZ1 LYS 36 3HZ LYS 36 -8.407 -1.804 -16.768 279 HZ2 LYS 36 1HZ LYS 36 -9.544 -0.683 -17.321 280 HZ3 LYS 36 2HZ LYS 36 -9.684 -1.333 -15.766 281 H SER 37 H SER 37 -11.809 -0.622 -12.209 282 HA SER 37 HA SER 37 -11.323 2.039 -11.534 283 HG SER 37 HG SER 37 -14.034 3.146 -11.695 284 HB2 SER 37 2HB SER 37 -13.427 1.331 -12.572 285 HB3 SER 37 1HB SER 37 -13.882 0.470 -11.100 286 H GLY 38 H GLY 38 -12.358 -0.618 -9.396 287 HA2 GLY 38 2HA GLY 38 -12.478 0.914 -7.013 288 HA3 GLY 38 1HA GLY 38 -12.339 -0.834 -7.107 289 H ALA 39 H ALA 39 -9.862 -0.981 -8.484 290 HA ALA 39 HA ALA 39 -8.007 -0.746 -6.366 291 HB1 ALA 39 3HB ALA 39 -7.758 -2.372 -8.181 292 HB2 ALA 39 1HB ALA 39 -6.312 -1.377 -8.006 293 HB3 ALA 39 2HB ALA 39 -7.447 -1.062 -9.319 294 H MET 40 H MET 40 -8.439 1.239 -9.303 295 HA MET 40 HA MET 40 -6.428 3.127 -8.770 296 HB2 MET 40 2HB MET 40 -9.049 3.484 -10.252 297 HB3 MET 40 1HB MET 40 -7.713 4.626 -10.288 298 HG2 MET 40 2HG MET 40 -6.289 2.967 -11.347 299 HG3 MET 40 1HG MET 40 -7.585 1.775 -11.255 300 HE1 MET 40 3HE MET 40 -7.928 5.621 -12.122 301 HE2 MET 40 1HE MET 40 -7.791 5.580 -13.878 302 HE3 MET 40 2HE MET 40 -6.400 5.165 -12.874 303 H ASN 41 H ASN 41 -9.934 3.260 -8.062 304 HA ASN 41 HA ASN 41 -10.020 5.591 -6.567 305 HB2 ASN 41 2HB ASN 41 -12.048 4.417 -7.165 306 HB3 ASN 41 1HB ASN 41 -11.580 3.018 -6.203 307 HD21 ASN 41 1HD2 ASN 41 -11.936 3.032 -4.028 308 HD22 ASN 41 2HD2 ASN 41 -12.790 4.289 -3.210 309 H GLY 42 H GLY 42 -9.024 2.347 -5.545 310 HA2 GLY 42 2HA GLY 42 -8.556 2.899 -2.821 311 HA3 GLY 42 1HA GLY 42 -7.745 1.658 -3.766 312 H ILE 43 H ILE 43 -6.440 3.282 -5.659 313 HA ILE 43 HA ILE 43 -4.100 4.027 -4.259 314 HB ILE 43 HB ILE 43 -4.947 4.739 -7.077 315 HG12 ILE 43 2HG1 ILE 43 -3.164 2.516 -6.032 316 HG13 ILE 43 1HG1 ILE 43 -4.793 2.309 -6.663 317 HG21 ILE 43 1HG2 ILE 43 -3.221 6.269 -6.319 318 HG22 ILE 43 2HG2 ILE 43 -2.544 5.139 -7.490 319 HG23 ILE 43 3HG2 ILE 43 -2.228 4.920 -5.769 320 HD11 ILE 43 3HD1 ILE 43 -2.396 3.257 -8.216 321 HD12 ILE 43 1HD1 ILE 43 -4.029 3.070 -8.857 322 HD13 ILE 43 2HD1 ILE 43 -3.134 1.658 -8.294 323 H GLU 44 H GLU 44 -6.502 6.098 -5.950 324 HA GLU 44 HA GLU 44 -5.622 8.582 -5.102 325 HB2 GLU 44 2HB GLU 44 -8.379 7.523 -5.686 326 HB3 GLU 44 1HB GLU 44 -8.171 9.170 -5.113 327 HG2 GLU 44 2HG GLU 44 -8.319 9.260 -7.471 328 HG3 GLU 44 1HG GLU 44 -6.643 9.580 -7.040 329 H SER 45 H SER 45 -7.754 6.321 -3.371 330 HA SER 45 HA SER 45 -8.197 7.863 -1.070 331 HG SER 45 HG SER 45 -9.789 5.228 -2.383 332 HB2 SER 45 2HB SER 45 -8.004 4.847 -1.315 333 HB3 SER 45 1HB SER 45 -8.646 5.704 0.086 334 H VAL 46 H VAL 46 -5.572 5.545 -1.788 335 HA VAL 46 HA VAL 46 -4.231 5.712 0.671 336 HB VAL 46 HB VAL 46 -3.084 5.212 -2.088 337 HG11 VAL 46 1HG1 VAL 46 -1.321 5.954 -0.537 338 HG12 VAL 46 2HG1 VAL 46 -1.136 4.254 -0.959 339 HG13 VAL 46 3HG1 VAL 46 -1.804 4.702 0.610 340 HG21 VAL 46 3HG2 VAL 46 -4.763 3.578 -1.384 341 HG22 VAL 46 1HG2 VAL 46 -3.888 3.312 0.124 342 HG23 VAL 46 2HG2 VAL 46 -3.156 2.851 -1.415 343 H GLN 47 H GLN 47 -3.843 7.681 -2.276 344 HA GLN 47 HA GLN 47 -1.808 9.375 -1.395 345 HB2 GLN 47 2HB GLN 47 -4.160 10.066 -3.178 346 HB3 GLN 47 1HB GLN 47 -2.676 10.998 -3.042 347 HG2 GLN 47 2HG GLN 47 -1.394 9.177 -3.983 348 HG3 GLN 47 1HG GLN 47 -2.824 8.148 -4.018 349 HE21 GLN 47 1HE2 GLN 47 -1.083 8.974 -6.198 350 HE22 GLN 47 2HE2 GLN 47 -2.108 9.748 -7.351 351 H THR 48 H THR 48 -5.285 9.494 -0.772 352 HA THR 48 HA THR 48 -5.256 12.018 0.587 353 HB THR 48 HB THR 48 -7.328 9.810 0.735 354 HG1 THR 48 HG1 THR 48 -8.388 11.059 -0.878 355 HG21 THR 48 3HG2 THR 48 -7.519 12.749 1.431 356 HG22 THR 48 1HG2 THR 48 -7.565 11.404 2.572 357 HG23 THR 48 2HG2 THR 48 -8.869 11.616 1.403 358 H ASN 49 H ASN 49 -5.218 8.633 1.713 359 HA ASN 49 HA ASN 49 -5.395 9.390 4.498 360 HB2 ASN 49 2HB ASN 49 -4.985 6.707 3.163 361 HB3 ASN 49 1HB ASN 49 -5.071 6.914 4.910 362 HD21 ASN 49 1HD2 ASN 49 -6.847 6.867 1.960 363 HD22 ASN 49 2HD2 ASN 49 -8.418 6.941 2.661 364 H SER 50 H SER 50 -2.789 8.631 2.301 365 HA SER 50 HA SER 50 -0.867 7.576 3.985 366 HG SER 50 HG SER 50 1.631 8.267 1.571 367 HB2 SER 50 2HB SER 50 -0.531 7.628 1.585 368 HB3 SER 50 1HB SER 50 -0.432 9.390 1.600 369 HA PRO 51 HA PRO 51 0.849 11.936 5.139 370 HB2 PRO 51 2HB PRO 51 -0.676 14.128 4.724 371 HB3 PRO 51 1HB PRO 51 0.420 13.489 3.493 372 HG2 PRO 51 2HG PRO 51 -2.547 13.111 3.766 373 HG3 PRO 51 1HG PRO 51 -1.599 13.488 2.312 374 HD2 PRO 51 2HD PRO 51 -2.451 10.974 2.885 375 HD3 PRO 51 1HD PRO 51 -0.932 11.295 2.025 376 H ILE 52 H ILE 52 -2.210 10.677 5.788 377 HA ILE 52 HA ILE 52 -2.521 12.218 8.286 378 HB ILE 52 HB ILE 52 -4.530 10.369 6.976 379 HG12 ILE 52 2HG1 ILE 52 -4.440 13.404 6.957 380 HG13 ILE 52 1HG1 ILE 52 -4.034 12.376 5.587 381 HG21 ILE 52 1HG2 ILE 52 -6.137 11.403 8.518 382 HG22 ILE 52 2HG2 ILE 52 -4.837 12.355 9.235 383 HG23 ILE 52 3HG2 ILE 52 -4.832 10.598 9.389 384 HD11 ILE 52 3HD1 ILE 52 -6.264 13.275 5.360 385 HD12 ILE 52 1HD1 ILE 52 -6.729 12.581 6.913 386 HD13 ILE 52 2HD1 ILE 52 -6.329 11.525 5.558 387 H GLU 53 H GLU 53 -1.180 11.218 9.711 388 HA GLU 53 HA GLU 53 -0.520 8.508 9.794 389 HB2 GLU 53 2HB GLU 53 -0.436 10.575 12.004 390 HB3 GLU 53 1HB GLU 53 0.378 9.015 12.057 391 HG2 GLU 53 2HG GLU 53 1.853 9.613 10.307 392 HG3 GLU 53 1HG GLU 53 0.899 11.032 9.885 393 H ALA 54 H ALA 54 -3.215 10.200 11.263 394 HA ALA 54 HA ALA 54 -3.934 8.253 13.185 395 HB1 ALA 54 3HB ALA 54 -6.071 9.417 13.307 396 HB2 ALA 54 1HB ALA 54 -5.700 10.277 11.810 397 HB3 ALA 54 2HB ALA 54 -4.731 10.566 13.257 398 H ARG 55 H ARG 55 -4.010 7.954 9.844 399 HA ARG 55 HA ARG 55 -6.417 6.273 9.783 400 HE ARG 55 HE ARG 55 -9.008 9.514 8.970 401 HB2 ARG 55 2HB ARG 55 -4.669 7.363 7.568 402 HB3 ARG 55 1HB ARG 55 -6.035 6.289 7.297 403 HG2 ARG 55 2HG ARG 55 -6.276 8.958 8.671 404 HG3 ARG 55 1HG ARG 55 -6.477 8.733 6.933 405 HD2 ARG 55 2HD ARG 55 -8.334 7.195 7.329 406 HD3 ARG 55 1HD ARG 55 -8.112 7.358 9.072 407 HH11 ARG 55 1HH1 ARG 55 -8.883 8.082 5.835 408 HH12 ARG 55 2HH1 ARG 55 -9.999 9.219 5.160 409 HH21 ARG 55 1HH2 ARG 55 -10.432 10.969 8.074 410 HH22 ARG 55 2HH2 ARG 55 -10.862 10.818 6.405 411 H TYR 56 H TYR 56 -3.104 5.791 10.261 412 HA TYR 56 HA TYR 56 -2.893 3.399 8.625 413 HD1 TYR 56 HD2 TYR 56 -1.941 3.747 12.254 414 HD2 TYR 56 HD1 TYR 56 0.925 5.874 9.927 415 HE1 TYR 56 HE2 TYR 56 -1.002 4.699 14.298 416 HE2 TYR 56 HE1 TYR 56 1.873 6.832 11.984 417 HH TYR 56 HH TYR 56 1.235 7.273 14.292 418 HB2 TYR 56 2HB TYR 56 -0.594 3.223 9.439 419 HB3 TYR 56 1HB TYR 56 -0.931 4.832 8.828 420 H ALA 57 H ALA 57 -1.697 1.471 9.811 421 HA ALA 57 HA ALA 57 -2.512 1.074 12.573 422 HB1 ALA 57 3HB ALA 57 -3.357 -0.881 10.422 423 HB2 ALA 57 1HB ALA 57 -4.434 0.204 11.302 424 HB3 ALA 57 2HB ALA 57 -3.587 -1.084 12.158 425 H LYS 58 H LYS 58 -0.421 0.844 13.300 426 HA LYS 58 HA LYS 58 1.317 -1.052 11.854 427 HB2 LYS 58 2HB LYS 58 3.223 0.084 12.965 428 HB3 LYS 58 1HB LYS 58 2.290 1.141 11.920 429 HG2 LYS 58 2HG LYS 58 1.169 2.089 13.897 430 HG3 LYS 58 1HG LYS 58 2.141 1.043 14.934 431 HD2 LYS 58 2HD LYS 58 4.185 2.118 14.114 432 HD3 LYS 58 1HD LYS 58 3.228 3.144 13.046 433 HE2 LYS 58 2HE LYS 58 3.865 4.382 15.031 434 HE3 LYS 58 1HE LYS 58 2.122 4.132 15.017 435 HZ1 LYS 58 3HZ LYS 58 4.038 2.470 16.557 436 HZ2 LYS 58 1HZ LYS 58 2.352 2.391 16.624 437 HZ3 LYS 58 2HZ LYS 58 3.160 3.758 17.204 438 H GLU 59 H GLU 59 1.590 -2.973 12.706 439 HA GLU 59 HA GLU 59 1.715 -3.297 15.628 440 HB2 GLU 59 2HB GLU 59 0.068 -5.067 13.798 441 HB3 GLU 59 1HB GLU 59 0.295 -5.301 15.526 442 HG2 GLU 59 2HG GLU 59 -0.817 -3.093 15.895 443 HG3 GLU 59 1HG GLU 59 -1.171 -3.044 14.168 444 H VAL 60 H VAL 60 2.176 -5.891 15.931 445 HA VAL 60 HA VAL 60 4.360 -6.613 14.072 446 HB VAL 60 HB VAL 60 4.401 -6.992 17.080 447 HG11 VAL 60 1HG1 VAL 60 6.518 -7.582 15.005 448 HG12 VAL 60 2HG1 VAL 60 5.570 -8.775 15.894 449 HG13 VAL 60 3HG1 VAL 60 6.712 -7.740 16.751 450 HG21 VAL 60 3HG2 VAL 60 6.208 -5.332 17.097 451 HG22 VAL 60 1HG2 VAL 60 4.707 -4.637 16.483 452 HG23 VAL 60 2HG2 VAL 60 5.996 -5.080 15.365 453 H ALA 61 H ALA 61 4.290 -8.679 13.323 454 HA ALA 61 HA ALA 61 2.135 -10.421 13.955 455 HB1 ALA 61 3HB ALA 61 3.210 -12.008 12.472 456 HB2 ALA 61 1HB ALA 61 4.711 -11.080 12.522 457 HB3 ALA 61 2HB ALA 61 3.274 -10.393 11.765 458 H LYS 62 H LYS 62 2.193 -12.472 14.995 459 HA LYS 62 HA LYS 62 3.255 -12.485 17.530 460 HB2 LYS 62 2HB LYS 62 1.401 -13.911 16.771 461 HB3 LYS 62 1HB LYS 62 2.534 -14.902 15.860 462 HG2 LYS 62 2HG LYS 62 3.641 -15.551 17.957 463 HG3 LYS 62 1HG LYS 62 2.482 -14.575 18.862 464 HD2 LYS 62 2HD LYS 62 1.838 -16.970 17.129 465 HD3 LYS 62 1HD LYS 62 1.837 -16.927 18.894 466 HE2 LYS 62 2HE LYS 62 0.024 -15.283 18.856 467 HE3 LYS 62 1HE LYS 62 0.038 -15.299 17.092 468 HZ1 LYS 62 3HZ LYS 62 -0.576 -17.631 18.822 469 HZ2 LYS 62 1HZ LYS 62 -0.601 -17.614 17.130 470 HZ3 LYS 62 2HZ LYS 62 -1.713 -16.692 18.003 471 H ASN 63 H ASN 63 4.769 -13.792 14.617 472 HA ASN 63 HA ASN 63 6.952 -14.991 16.124 473 HB2 ASN 63 2HB ASN 63 5.932 -16.023 14.046 474 HB3 ASN 63 1HB ASN 63 6.682 -14.731 13.116 475 HD21 ASN 63 1HD2 ASN 63 7.906 -16.243 11.956 476 HD22 ASN 63 2HD2 ASN 63 9.274 -17.034 12.654 477 H ASP 64 H ASP 64 6.480 -12.023 16.092 478 HA ASP 64 HA ASP 64 7.694 -10.131 16.219 479 HB2 ASP 64 2HB ASP 64 9.906 -12.159 16.126 480 HB3 ASP 64 1HB ASP 64 10.276 -10.435 16.127 481 H LYS 65 H LYS 65 6.597 -10.682 13.724 482 HA LYS 65 HA LYS 65 8.541 -9.355 11.938 483 HB2 LYS 65 2HB LYS 65 6.093 -11.008 11.355 484 HB3 LYS 65 1HB LYS 65 6.717 -9.881 10.165 485 HG2 LYS 65 2HG LYS 65 7.573 -12.023 9.626 486 HG3 LYS 65 1HG LYS 65 8.910 -11.084 10.289 487 HD2 LYS 65 2HD LYS 65 8.646 -12.202 12.440 488 HD3 LYS 65 1HD LYS 65 7.263 -13.102 11.813 489 HE2 LYS 65 2HE LYS 65 9.303 -14.470 11.819 490 HE3 LYS 65 1HE LYS 65 8.698 -14.211 10.185 491 HZ1 LYS 65 3HZ LYS 65 11.104 -13.961 10.333 492 HZ2 LYS 65 1HZ LYS 65 10.922 -12.700 11.444 493 HZ3 LYS 65 2HZ LYS 65 10.370 -12.516 9.859 494 HA PRO 66 HA PRO 66 5.813 -5.853 13.147 495 HB2 PRO 66 2HB PRO 66 7.651 -3.916 12.598 496 HB3 PRO 66 1HB PRO 66 7.621 -4.814 14.120 497 HG2 PRO 66 2HG PRO 66 9.330 -5.267 11.693 498 HG3 PRO 66 1HG PRO 66 9.799 -5.263 13.405 499 HD2 PRO 66 2HD PRO 66 9.382 -7.555 12.045 500 HD3 PRO 66 1HD PRO 66 8.977 -7.402 13.766 501 H TYR 67 H TYR 67 4.366 -4.986 11.781 502 HA TYR 67 HA TYR 67 5.173 -4.051 9.130 503 HD1 TYR 67 HD2 TYR 67 3.643 -7.521 10.905 504 HD2 TYR 67 HD1 TYR 67 1.079 -5.057 8.557 505 HE1 TYR 67 HE2 TYR 67 1.683 -8.490 12.031 506 HE2 TYR 67 HE1 TYR 67 -0.881 -6.021 9.681 507 HH TYR 67 HH TYR 67 -1.488 -8.060 10.877 508 HB2 TYR 67 2HB TYR 67 3.394 -5.258 7.982 509 HB3 TYR 67 1HB TYR 67 4.443 -6.403 8.810 510 H PHE 68 H PHE 68 3.192 -2.943 8.028 511 HA PHE 68 HA PHE 68 1.263 -1.885 9.940 512 HD1 PHE 68 HD2 PHE 68 4.987 -1.088 8.513 513 HD2 PHE 68 HD1 PHE 68 1.872 1.584 7.370 514 HE1 PHE 68 HE2 PHE 68 6.349 -0.312 6.618 515 HE2 PHE 68 HE1 PHE 68 3.233 2.362 5.478 516 HZ PHE 68 HZ PHE 68 5.471 1.414 5.097 517 HB2 PHE 68 2HB PHE 68 1.725 0.456 9.416 518 HB3 PHE 68 1HB PHE 68 3.139 -0.316 10.115 519 H ASN 69 H ASN 69 -0.684 -1.594 9.092 520 HA ASN 69 HA ASN 69 -1.002 -1.710 6.161 521 HB2 ASN 69 2HB ASN 69 -2.910 -2.472 8.388 522 HB3 ASN 69 1HB ASN 69 -3.335 -2.463 6.679 523 HD21 ASN 69 1HD2 ASN 69 -3.789 -4.678 6.785 524 HD22 ASN 69 2HD2 ASN 69 -2.533 -5.862 6.830 525 H LEU 70 H LEU 70 -2.679 -0.398 5.205 526 HA LEU 70 HA LEU 70 -3.324 2.048 6.731 527 HG LEU 70 HG LEU 70 -4.359 3.669 4.251 528 HB2 LEU 70 2HB LEU 70 -1.677 2.428 4.923 529 HB3 LEU 70 1HB LEU 70 -2.818 1.791 3.756 530 HD11 LEU 70 1HD1 LEU 70 -2.113 4.655 6.015 531 HD12 LEU 70 2HD1 LEU 70 -3.715 4.137 6.538 532 HD13 LEU 70 3HD1 LEU 70 -3.538 5.587 5.554 533 HD21 LEU 70 3HD2 LEU 70 -3.046 5.422 3.145 534 HD22 LEU 70 1HD2 LEU 70 -2.793 3.850 2.386 535 HD23 LEU 70 2HD2 LEU 70 -1.565 4.518 3.462 536 H LYS 71 H LYS 71 -5.433 2.440 7.006 537 HA LYS 71 HA LYS 71 -7.367 1.011 5.286 538 HB2 LYS 71 2HB LYS 71 -7.608 1.684 8.227 539 HB3 LYS 71 1HB LYS 71 -8.870 0.936 7.254 540 HG2 LYS 71 2HG LYS 71 -7.336 -0.983 6.843 541 HG3 LYS 71 1HG LYS 71 -6.184 -0.242 7.960 542 HD2 LYS 71 2HD LYS 71 -7.920 -0.316 9.738 543 HD3 LYS 71 1HD LYS 71 -8.994 -1.151 8.613 544 HE2 LYS 71 2HE LYS 71 -7.276 -2.951 8.414 545 HE3 LYS 71 1HE LYS 71 -6.347 -2.142 9.675 546 HZ1 LYS 71 3HZ LYS 71 -8.302 -2.405 11.144 547 HZ2 LYS 71 1HZ LYS 71 -7.639 -3.881 10.648 548 HZ3 LYS 71 2HZ LYS 71 -9.059 -3.310 9.934 549 H ALA 72 H ALA 72 -8.989 2.153 4.369 550 HA ALA 72 HA ALA 72 -8.971 5.019 4.450 551 HB1 ALA 72 3HB ALA 72 -9.565 3.739 2.422 552 HB2 ALA 72 1HB ALA 72 -10.808 4.905 2.877 553 HB3 ALA 72 2HB ALA 72 -11.038 3.191 3.223 554 H ALA 73 H ALA 73 -11.325 6.096 4.616 555 HA ALA 73 HA ALA 73 -11.921 6.326 7.300 556 HB1 ALA 73 3HB ALA 73 -13.797 6.873 5.000 557 HB2 ALA 73 1HB ALA 73 -12.566 7.978 5.617 558 HB3 ALA 73 2HB ALA 73 -13.936 7.527 6.635 559 H ASN 74 H ASN 74 -13.638 4.288 4.919 560 HA ASN 74 HA ASN 74 -15.555 3.313 6.825 561 HB2 ASN 74 2HB ASN 74 -15.820 3.467 4.273 562 HB3 ASN 74 1HB ASN 74 -14.874 1.987 4.195 563 HD21 ASN 74 1HD2 ASN 74 -15.784 0.065 5.039 564 HD22 ASN 74 2HD2 ASN 74 -17.484 -0.081 5.291 565 H HIS 75 H HIS 75 -12.392 2.795 6.829 566 HA HIS 75 HA HIS 75 -11.071 1.404 8.046 567 HD1 HIS 75 HD1 HIS 75 -11.236 1.405 11.149 568 HD2 HIS 75 HD2 HIS 75 -14.979 2.241 9.547 569 HE1 HIS 75 HE1 HIS 75 -12.189 3.225 12.583 570 HE2 HIS 75 HE2 HIS 75 -14.498 3.627 11.680 571 HB2 HIS 75 2HB HIS 75 -13.634 -0.079 8.689 572 HB3 HIS 75 1HB HIS 75 -12.076 -0.371 9.457 573 H GLN 76 H GLN 76 -11.839 0.966 5.216 574 HA GLN 76 HA GLN 76 -11.550 -1.906 4.816 575 HB2 GLN 76 2HB GLN 76 -11.925 -1.412 2.473 576 HB3 GLN 76 1HB GLN 76 -13.125 -0.566 3.443 577 HG2 GLN 76 2HG GLN 76 -11.500 1.439 3.293 578 HG3 GLN 76 1HG GLN 76 -10.773 0.549 1.959 579 HE21 GLN 76 1HE2 GLN 76 -13.497 2.353 3.041 580 HE22 GLN 76 2HE2 GLN 76 -14.309 2.448 1.520 581 H ILE 77 H ILE 77 -9.772 -2.875 3.766 582 HA ILE 77 HA ILE 77 -7.233 -1.658 4.241 583 HB ILE 77 HB ILE 77 -7.929 -4.193 2.737 584 HG12 ILE 77 2HG1 ILE 77 -8.527 -4.235 5.131 585 HG13 ILE 77 1HG1 ILE 77 -7.205 -5.343 4.782 586 HG21 ILE 77 1HG2 ILE 77 -5.225 -3.184 3.647 587 HG22 ILE 77 2HG2 ILE 77 -5.774 -3.374 1.981 588 HG23 ILE 77 3HG2 ILE 77 -5.548 -4.794 3.001 589 HD11 ILE 77 3HD1 ILE 77 -6.834 -4.154 6.859 590 HD12 ILE 77 1HD1 ILE 77 -6.940 -2.611 6.014 591 HD13 ILE 77 2HD1 ILE 77 -5.611 -3.718 5.665 592 H ILE 78 H ILE 78 -6.450 -0.066 3.012 593 HA ILE 78 HA ILE 78 -6.662 -0.318 0.072 594 HB ILE 78 HB ILE 78 -6.162 2.107 -0.048 595 HG12 ILE 78 2HG1 ILE 78 -6.471 2.009 2.970 596 HG13 ILE 78 1HG1 ILE 78 -4.975 2.344 2.102 597 HG21 ILE 78 1HG2 ILE 78 -8.373 2.879 0.688 598 HG22 ILE 78 2HG2 ILE 78 -8.580 1.398 1.626 599 HG23 ILE 78 3HG2 ILE 78 -8.470 1.321 -0.134 600 HD11 ILE 78 3HD1 ILE 78 -5.946 4.383 2.949 601 HD12 ILE 78 1HD1 ILE 78 -7.457 4.045 2.108 602 HD13 ILE 78 2HD1 ILE 78 -5.991 4.382 1.185 603 H GLY 79 H GLY 79 -4.535 -0.540 2.700 604 HA2 GLY 79 2HA GLY 79 -2.322 -1.011 0.853 605 HA3 GLY 79 1HA GLY 79 -2.075 0.262 2.037 606 H THR 80 H THR 80 -0.852 -2.502 1.587 607 HA THR 80 HA THR 80 -0.879 -3.262 4.428 608 HB THR 80 HB THR 80 -1.128 -5.285 2.178 609 HG1 THR 80 HG1 THR 80 -3.205 -5.395 2.670 610 HG21 THR 80 3HG2 THR 80 0.263 -6.098 4.037 611 HG22 THR 80 1HG2 THR 80 -1.277 -6.954 3.961 612 HG23 THR 80 2HG2 THR 80 -1.027 -5.700 5.172 613 H SER 81 H SER 81 1.190 -3.190 5.127 614 HA SER 81 HA SER 81 3.375 -3.313 3.215 615 HG SER 81 HG SER 81 5.415 -2.468 4.205 616 HB2 SER 81 2HB SER 81 3.426 -1.656 5.042 617 HB3 SER 81 1HB SER 81 3.471 -2.966 6.223 618 H GLN 82 H GLN 82 5.410 -4.587 4.028 619 HA GLN 82 HA GLN 82 4.529 -7.375 4.213 620 HB2 GLN 82 2HB GLN 82 6.807 -7.945 3.417 621 HB3 GLN 82 1HB GLN 82 5.942 -6.891 2.312 622 HG2 GLN 82 2HG GLN 82 7.823 -5.710 4.321 623 HG3 GLN 82 1HG GLN 82 8.453 -6.450 2.853 624 HE21 GLN 82 1HE2 GLN 82 8.105 -5.445 0.886 625 HE22 GLN 82 2HE2 GLN 82 7.513 -3.828 0.762 626 H MET 83 H MET 83 5.754 -8.910 5.489 627 HA MET 83 HA MET 83 6.145 -8.099 8.167 628 HB2 MET 83 2HB MET 83 6.902 -10.668 6.752 629 HB3 MET 83 1HB MET 83 6.969 -10.444 8.494 630 HG2 MET 83 2HG MET 83 4.950 -11.604 7.933 631 HG3 MET 83 1HG MET 83 4.536 -9.985 8.492 632 HE1 MET 83 3HE MET 83 4.658 -12.467 5.477 633 HE2 MET 83 1HE MET 83 5.875 -11.280 4.995 634 HE3 MET 83 2HE MET 83 4.361 -11.403 4.100 635 H TYR 84 H TYR 84 7.757 -6.628 8.527 636 HA TYR 84 HA TYR 84 10.348 -6.815 7.304 637 HD1 TYR 84 HD2 TYR 84 11.342 -4.239 6.567 638 HD2 TYR 84 HD1 TYR 84 7.451 -4.083 8.289 639 HE1 TYR 84 HE2 TYR 84 10.621 -2.707 4.787 640 HE2 TYR 84 HE1 TYR 84 6.722 -2.550 6.514 641 HH TYR 84 HH TYR 84 7.571 -1.059 4.898 642 HB2 TYR 84 2HB TYR 84 9.264 -5.057 9.509 643 HB3 TYR 84 1HB TYR 84 10.918 -4.944 8.921 644 H SER 85 H SER 85 12.377 -6.946 8.468 645 HA SER 85 HA SER 85 12.423 -9.014 10.488 646 HG SER 85 HG SER 85 14.548 -9.992 8.621 647 HB2 SER 85 2HB SER 85 14.707 -7.376 9.342 648 HB3 SER 85 1HB SER 85 14.870 -8.828 10.329 649 H SER 86 H SER 86 12.977 -5.537 10.358 650 HA SER 86 HA SER 86 13.349 -5.495 13.293 651 HG SER 86 HG SER 86 16.364 -4.787 11.400 652 HB2 SER 86 2HB SER 86 14.599 -3.618 11.267 653 HB3 SER 86 1HB SER 86 14.845 -3.578 13.011 654 H THR 87 H THR 87 12.422 -3.759 14.450 655 HA THR 87 HA THR 87 9.951 -2.760 13.471 656 HB THR 87 HB THR 87 9.867 -1.397 15.527 657 HG1 THR 87 HG1 THR 87 11.679 -1.458 16.948 658 HG21 THR 87 3HG2 THR 87 10.940 -4.185 16.029 659 HG22 THR 87 1HG2 THR 87 9.259 -3.779 15.669 660 HG23 THR 87 2HG2 THR 87 10.003 -3.216 17.167 661 H ALA 88 H ALA 88 13.151 -1.283 13.837 662 HA ALA 88 HA ALA 88 12.584 1.332 13.065 663 HB1 ALA 88 3HB ALA 88 14.756 0.630 13.942 664 HB2 ALA 88 1HB ALA 88 14.939 1.500 12.420 665 HB3 ALA 88 2HB ALA 88 15.080 -0.258 12.453 666 H ALA 89 H ALA 89 13.355 -1.472 11.011 667 HA ALA 89 HA ALA 89 13.320 -0.242 8.510 668 HB1 ALA 89 3HB ALA 89 12.382 -3.028 9.207 669 HB2 ALA 89 1HB ALA 89 14.047 -2.553 8.874 670 HB3 ALA 89 2HB ALA 89 12.830 -2.459 7.600 671 H ARG 90 H ARG 90 10.628 -1.584 10.395 672 HA ARG 90 HA ARG 90 8.534 -1.107 8.601 673 HE ARG 90 HE ARG 90 7.056 -0.432 13.093 674 HB2 ARG 90 2HB ARG 90 8.267 -2.432 10.654 675 HB3 ARG 90 1HB ARG 90 8.505 -0.989 11.632 676 HG2 ARG 90 2HG ARG 90 6.449 -0.024 10.657 677 HG3 ARG 90 1HG ARG 90 6.201 -1.523 9.762 678 HD2 ARG 90 2HD ARG 90 4.833 -1.531 11.753 679 HD3 ARG 90 1HD ARG 90 6.097 -2.751 11.901 680 HH11 ARG 90 1HH1 ARG 90 4.483 -2.689 13.586 681 HH12 ARG 90 2HH1 ARG 90 4.434 -2.403 15.292 682 HH21 ARG 90 1HH2 ARG 90 6.976 -0.092 15.269 683 HH22 ARG 90 2HH2 ARG 90 5.839 -0.968 16.239 684 H ASP 91 H ASP 91 9.946 1.021 11.074 685 HA ASP 91 HA ASP 91 8.174 3.196 10.718 686 HB2 ASP 91 2HB ASP 91 9.727 2.777 12.679 687 HB3 ASP 91 1HB ASP 91 11.045 3.355 11.665 688 H ASN 92 H ASN 92 11.291 2.382 9.221 689 HA ASN 92 HA ASN 92 11.652 4.680 7.659 690 HB2 ASN 92 2HB ASN 92 12.376 1.821 6.957 691 HB3 ASN 92 1HB ASN 92 13.025 3.263 6.178 692 HD21 ASN 92 1HD2 ASN 92 14.421 1.159 7.593 693 HD22 ASN 92 2HD2 ASN 92 15.273 1.932 8.882 694 H GLY 93 H GLY 93 9.817 1.714 6.969 695 HA2 GLY 93 2HA GLY 93 8.873 2.365 4.413 696 HA3 GLY 93 1HA GLY 93 8.025 1.354 5.573 697 H ILE 94 H ILE 94 7.533 3.203 7.600 698 HA ILE 94 HA ILE 94 5.230 4.548 6.734 699 HB ILE 94 HB ILE 94 6.912 5.147 9.184 700 HG12 ILE 94 2HG1 ILE 94 4.510 3.319 8.835 701 HG13 ILE 94 1HG1 ILE 94 6.174 2.791 9.065 702 HG21 ILE 94 1HG2 ILE 94 4.037 5.841 8.570 703 HG22 ILE 94 2HG2 ILE 94 5.382 6.974 8.705 704 HG23 ILE 94 3HG2 ILE 94 4.833 6.083 10.125 705 HD11 ILE 94 3HD1 ILE 94 4.900 2.594 11.113 706 HD12 ILE 94 1HD1 ILE 94 4.507 4.313 11.058 707 HD13 ILE 94 2HD1 ILE 94 6.178 3.796 11.294 708 H LYS 95 H LYS 95 8.483 5.885 7.434 709 HA LYS 95 HA LYS 95 8.034 8.556 6.766 710 HB2 LYS 95 2HB LYS 95 10.548 7.017 6.063 711 HB3 LYS 95 1HB LYS 95 10.412 8.746 6.344 712 HG2 LYS 95 2HG LYS 95 9.943 8.342 8.703 713 HG3 LYS 95 1HG LYS 95 10.019 6.598 8.427 714 HD2 LYS 95 2HD LYS 95 12.385 6.988 7.555 715 HD3 LYS 95 1HD LYS 95 12.256 8.616 8.224 716 HE2 LYS 95 2HE LYS 95 12.009 6.029 9.764 717 HE3 LYS 95 1HE LYS 95 13.403 7.106 9.764 718 HZ1 LYS 95 3HZ LYS 95 12.095 8.805 10.802 719 HZ2 LYS 95 1HZ LYS 95 11.959 7.384 11.709 720 HZ3 LYS 95 2HZ LYS 95 10.693 7.868 10.700 721 H SER 96 H SER 96 8.913 5.844 4.694 722 HA SER 96 HA SER 96 9.271 7.273 2.302 723 HG SER 96 HG SER 96 10.489 4.543 3.584 724 HB2 SER 96 2HB SER 96 8.531 4.364 2.701 725 HB3 SER 96 1HB SER 96 9.122 5.065 1.193 726 H VAL 97 H VAL 97 6.361 5.591 3.554 727 HA VAL 97 HA VAL 97 4.874 6.079 1.163 728 HB VAL 97 HB VAL 97 4.241 4.201 2.523 729 HG11 VAL 97 1HG1 VAL 97 4.831 5.026 4.727 730 HG12 VAL 97 2HG1 VAL 97 3.171 4.433 4.706 731 HG13 VAL 97 3HG1 VAL 97 3.486 6.169 4.682 732 HG21 VAL 97 3HG2 VAL 97 1.820 4.542 2.648 733 HG22 VAL 97 1HG2 VAL 97 2.491 5.237 1.171 734 HG23 VAL 97 2HG2 VAL 97 2.055 6.286 2.522 735 H MET 98 H MET 98 4.857 7.709 4.366 736 HA MET 98 HA MET 98 2.831 9.563 3.761 737 HB2 MET 98 2HB MET 98 3.641 10.893 5.615 738 HB3 MET 98 1HB MET 98 3.729 9.192 6.048 739 HG2 MET 98 2HG MET 98 6.118 9.183 5.637 740 HG3 MET 98 1HG MET 98 6.054 10.866 5.117 741 HE1 MET 98 3HE MET 98 5.391 12.886 6.772 742 HE2 MET 98 1HE MET 98 5.024 12.654 8.482 743 HE3 MET 98 2HE MET 98 3.925 12.030 7.251 744 H GLU 99 H GLU 99 6.279 9.605 3.015 745 HA GLU 99 HA GLU 99 6.276 12.268 1.933 746 HB2 GLU 99 2HB GLU 99 8.344 11.345 2.763 747 HB3 GLU 99 1HB GLU 99 8.230 9.973 1.669 748 HG2 GLU 99 2HG GLU 99 9.891 11.625 0.937 749 HG3 GLU 99 1HG GLU 99 8.599 11.410 -0.242 750 H ASN 100 H ASN 100 6.426 9.035 0.396 751 HA ASN 100 HA ASN 100 6.109 10.225 -2.234 752 HB2 ASN 100 2HB ASN 100 6.483 7.342 -1.389 753 HB3 ASN 100 1HB ASN 100 6.410 7.894 -3.062 754 HD21 ASN 100 1HD2 ASN 100 8.317 7.769 -0.179 755 HD22 ASN 100 2HD2 ASN 100 9.772 8.377 -0.873 756 H GLY 101 H GLY 101 3.866 9.803 -0.022 757 HA2 GLY 101 2HA GLY 101 1.853 8.417 -1.599 758 HA3 GLY 101 1HA GLY 101 1.614 9.186 -0.039 759 H LYS 102 H LYS 102 3.160 11.198 -2.331 760 HA LYS 102 HA LYS 102 0.619 12.618 -2.835 761 HB2 LYS 102 2HB LYS 102 3.441 13.719 -2.957 762 HB3 LYS 102 1HB LYS 102 1.958 14.638 -3.176 763 HG2 LYS 102 2HG LYS 102 1.328 14.093 -0.835 764 HG3 LYS 102 1HG LYS 102 2.892 13.299 -0.638 765 HD2 LYS 102 2HD LYS 102 2.490 16.207 -1.371 766 HD3 LYS 102 1HD LYS 102 2.874 15.610 0.244 767 HE2 LYS 102 2HE LYS 102 4.615 15.191 -2.191 768 HE3 LYS 102 1HE LYS 102 4.844 16.482 -1.013 769 HZ1 LYS 102 3HZ LYS 102 5.215 14.837 0.695 770 HZ2 LYS 102 1HZ LYS 102 6.286 14.575 -0.586 771 HZ3 LYS 102 2HZ LYS 102 4.936 13.578 -0.395 772 H THR 103 H THR 103 2.776 10.597 -4.345 773 HA THR 103 HA THR 103 3.010 11.901 -6.897 774 HB THR 103 HB THR 103 4.752 10.353 -6.264 775 HG1 THR 103 HG1 THR 103 4.855 9.215 -8.179 776 HG21 THR 103 3HG2 THR 103 2.639 8.187 -6.286 777 HG22 THR 103 1HG2 THR 103 3.403 8.858 -4.845 778 HG23 THR 103 2HG2 THR 103 4.367 7.958 -6.013 779 H THR 104 H THR 104 1.710 11.797 -8.634 780 HA THR 104 HA THR 104 -0.740 10.175 -8.466 781 HB THR 104 HB THR 104 -1.617 11.576 -10.265 782 HG1 THR 104 HG1 THR 104 -0.143 12.370 -11.573 783 HG21 THR 104 3HG2 THR 104 -1.623 13.750 -9.114 784 HG22 THR 104 1HG2 THR 104 -0.275 13.216 -8.107 785 HG23 THR 104 2HG2 THR 104 -1.842 12.417 -7.982 786 H THR 105 H THR 105 2.243 9.644 -9.562 787 HA THR 105 HA THR 105 1.772 8.730 -12.246 788 HB THR 105 HB THR 105 4.109 8.201 -10.389 789 HG1 THR 105 HG1 THR 105 5.088 9.882 -11.519 790 HG21 THR 105 3HG2 THR 105 3.886 7.760 -13.376 791 HG22 THR 105 1HG2 THR 105 3.958 6.493 -12.150 792 HG23 THR 105 2HG2 THR 105 5.343 7.553 -12.404 793 H ILE 106 H ILE 106 0.509 7.015 -12.607 794 HA ILE 106 HA ILE 106 0.820 4.610 -10.902 795 HB ILE 106 HB ILE 106 -1.652 5.481 -12.430 796 HG12 ILE 106 2HG1 ILE 106 -1.143 5.436 -9.438 797 HG13 ILE 106 1HG1 ILE 106 -1.192 6.886 -10.435 798 HG21 ILE 106 1HG2 ILE 106 -2.764 3.614 -11.276 799 HG22 ILE 106 2HG2 ILE 106 -1.224 3.145 -10.558 800 HG23 ILE 106 3HG2 ILE 106 -1.445 3.052 -12.305 801 HD11 ILE 106 3HD1 ILE 106 -3.485 4.995 -9.944 802 HD12 ILE 106 1HD1 ILE 106 -3.537 6.438 -10.959 803 HD13 ILE 106 2HD1 ILE 106 -3.266 6.590 -9.223 804 H LYS 107 H LYS 107 1.927 3.073 -11.986 805 HA LYS 107 HA LYS 107 1.872 2.960 -14.898 806 HB2 LYS 107 2HB LYS 107 3.346 1.171 -12.954 807 HB3 LYS 107 1HB LYS 107 3.578 1.230 -14.693 808 HG2 LYS 107 2HG LYS 107 4.418 3.535 -14.491 809 HG3 LYS 107 1HG LYS 107 4.221 3.436 -12.735 810 HD2 LYS 107 2HD LYS 107 5.743 1.424 -12.786 811 HD3 LYS 107 1HD LYS 107 6.055 1.785 -14.481 812 HE2 LYS 107 2HE LYS 107 7.020 3.920 -13.894 813 HE3 LYS 107 1HE LYS 107 6.583 3.689 -12.200 814 HZ1 LYS 107 3HZ LYS 107 8.887 3.160 -12.507 815 HZ2 LYS 107 1HZ LYS 107 8.532 2.075 -13.755 816 HZ3 LYS 107 2HZ LYS 107 8.049 1.728 -12.172 817 H ASP 108 H ASP 108 0.398 1.763 -15.956 818 HA ASP 108 HA ASP 108 -1.101 -0.330 -14.670 819 HB2 ASP 108 2HB ASP 108 -2.051 1.122 -16.465 820 HB3 ASP 108 1HB ASP 108 -0.955 0.371 -17.619 821 H LEU 109 H LEU 109 -0.128 -2.218 -14.206 822 HA LEU 109 HA LEU 109 1.823 -3.363 -16.088 823 HG LEU 109 HG LEU 109 2.059 -2.182 -12.956 824 HB2 LEU 109 2HB LEU 109 1.109 -4.379 -13.336 825 HB3 LEU 109 1HB LEU 109 2.484 -4.848 -14.316 826 HD11 LEU 109 1HD1 LEU 109 4.047 -4.406 -12.491 827 HD12 LEU 109 2HD1 LEU 109 2.701 -3.961 -11.441 828 HD13 LEU 109 3HD1 LEU 109 4.047 -2.847 -11.667 829 HD21 LEU 109 3HD2 LEU 109 3.168 -1.858 -15.125 830 HD22 LEU 109 1HD2 LEU 109 4.369 -3.076 -14.695 831 HD23 LEU 109 2HD2 LEU 109 4.276 -1.568 -13.786 832 H THR 110 H THR 110 -1.359 -3.383 -15.971 833 HA THR 110 HA THR 110 -1.875 -6.252 -15.903 834 HB THR 110 HB THR 110 -4.181 -5.775 -15.981 835 HG1 THR 110 HG1 THR 110 -3.641 -3.070 -16.732 836 HG21 THR 110 3HG2 THR 110 -3.195 -5.102 -13.863 837 HG22 THR 110 1HG2 THR 110 -4.520 -4.014 -14.278 838 HG23 THR 110 2HG2 THR 110 -2.849 -3.494 -14.505 839 H LEU 111 H LEU 111 -1.484 -3.709 -18.260 840 HA LEU 111 HA LEU 111 -2.509 -5.143 -20.501 841 HG LEU 111 HG LEU 111 -2.642 -2.153 -19.452 842 HB2 LEU 111 2HB LEU 111 -0.506 -2.879 -20.416 843 HB3 LEU 111 1HB LEU 111 -1.337 -3.448 -21.854 844 HD11 LEU 111 1HD1 LEU 111 -2.170 -1.115 -22.249 845 HD12 LEU 111 2HD1 LEU 111 -1.371 -0.560 -20.776 846 HD13 LEU 111 3HD1 LEU 111 -3.101 -0.299 -20.993 847 HD21 LEU 111 3HD2 LEU 111 -3.877 -3.033 -22.066 848 HD22 LEU 111 1HD2 LEU 111 -4.699 -2.205 -20.741 849 HD23 LEU 111 2HD2 LEU 111 -4.085 -3.843 -20.511 850 H GLU 112 H GLU 112 0.882 -4.434 -19.564 851 HA GLU 112 HA GLU 112 1.786 -6.936 -20.766 852 HB2 GLU 112 2HB GLU 112 3.392 -5.812 -22.266 853 HB3 GLU 112 1HB GLU 112 1.729 -5.406 -22.677 854 HG2 GLU 112 2HG GLU 112 1.949 -3.267 -21.522 855 HG3 GLU 112 1HG GLU 112 3.602 -3.672 -21.068 856 H HIS 113 H HIS 113 3.963 -7.512 -20.218 857 HA HIS 113 HA HIS 113 5.054 -6.261 -17.856 858 HD1 HIS 113 HD1 HIS 113 4.209 -10.262 -18.728 859 HD2 HIS 113 HD2 HIS 113 5.913 -8.060 -15.640 860 HE1 HIS 113 HE1 HIS 113 3.402 -11.333 -16.605 861 HE2 HIS 113 HE2 HIS 113 4.339 -9.910 -14.757 862 HB2 HIS 113 2HB HIS 113 5.893 -8.599 -19.555 863 HB3 HIS 113 1HB HIS 113 6.993 -7.932 -18.354 864 H HIS 114 H HIS 114 6.313 -4.536 -17.862 865 HA HIS 114 HA HIS 114 7.497 -3.522 -20.293 866 HD1 HIS 114 HD1 HIS 114 5.203 -2.715 -16.922 867 HD2 HIS 114 HD2 HIS 114 6.037 -0.506 -20.345 868 HE1 HIS 114 HE1 HIS 114 3.063 -1.537 -17.501 869 HE2 HIS 114 HE2 HIS 114 3.618 -0.128 -19.508 870 HB2 HIS 114 2HB HIS 114 7.740 -2.488 -17.452 871 HB3 HIS 114 1HB HIS 114 8.182 -1.615 -18.918 872 H HIS 115 H HIS 115 9.523 -3.893 -21.000 873 HA HIS 115 HA HIS 115 11.384 -5.335 -19.222 874 HD1 HIS 115 HD1 HIS 115 9.717 -6.555 -23.331 875 HD2 HIS 115 HD2 HIS 115 10.651 -7.906 -19.516 876 HE1 HIS 115 HE1 HIS 115 8.286 -8.584 -22.967 877 HE2 HIS 115 HE2 HIS 115 8.746 -9.280 -20.600 878 HB2 HIS 115 2HB HIS 115 11.378 -5.102 -22.241 879 HB3 HIS 115 1HB HIS 115 12.487 -6.086 -21.287 880 H HIS 116 H HIS 116 11.804 -3.118 -22.009 881 HA HIS 116 HA HIS 116 14.231 -2.064 -20.817 882 HD1 HIS 116 HD1 HIS 116 16.536 -1.353 -22.493 883 HD2 HIS 116 HD2 HIS 116 13.548 1.254 -23.731 884 HE1 HIS 116 HE1 HIS 116 17.693 0.823 -22.961 885 HE2 HIS 116 HE2 HIS 116 15.902 2.302 -23.925 886 HB2 HIS 116 2HB HIS 116 14.221 -2.493 -23.217 887 HB3 HIS 116 1HB HIS 116 12.864 -1.393 -23.435 888 H HIS 117 H HIS 117 14.235 -0.436 -19.452 889 HA HIS 117 HA HIS 117 12.437 1.845 -19.867 890 HD1 HIS 117 HD1 HIS 117 13.194 2.366 -15.669 891 HD2 HIS 117 HD2 HIS 117 9.922 2.925 -18.166 892 HE1 HIS 117 HE1 HIS 117 12.015 4.393 -14.785 893 HE2 HIS 117 HE2 HIS 117 9.940 4.589 -16.191 894 HB2 HIS 117 2HB HIS 117 11.329 0.430 -18.192 895 HB3 HIS 117 1HB HIS 117 12.794 0.408 -17.219 896 H HIS 118 H HIS 118 13.609 3.657 -19.894 897 HA HIS 118 HA HIS 118 16.373 3.668 -19.104 898 HD1 HIS 118 HD1 HIS 118 15.973 7.482 -18.303 899 HD2 HIS 118 HD2 HIS 118 18.162 5.806 -21.409 900 HE1 HIS 118 HE1 HIS 118 18.102 8.803 -18.412 901 HE2 HIS 118 HE2 HIS 118 19.297 7.915 -20.436 902 HB2 HIS 118 2HB HIS 118 15.594 4.928 -21.070 903 HB3 HIS 118 1HB HIS 118 14.601 5.947 -20.032 Start of MODEL 4 1 HA MET 1 HA MET 1 7.289 13.467 -2.836 2 H1 MET 1 1H MET 1 9.229 11.593 -1.618 3 H2 MET 1 2H MET 1 7.545 11.473 -1.600 4 H3 MET 1 3H MET 1 8.314 12.727 -0.761 5 HB2 MET 1 2HB MET 1 9.403 14.462 -1.749 6 HB3 MET 1 1HB MET 1 10.300 13.654 -3.026 7 HG2 MET 1 2HG MET 1 8.126 15.696 -3.463 8 HG3 MET 1 1HG MET 1 9.856 16.026 -3.503 9 HE1 MET 1 3HE MET 1 8.772 16.307 -7.268 10 HE2 MET 1 1HE MET 1 9.531 17.133 -5.907 11 HE3 MET 1 2HE MET 1 7.807 16.761 -5.863 12 H SER 2 H SER 2 10.085 11.288 -3.426 13 HA SER 2 HA SER 2 9.156 10.911 -6.196 14 HG SER 2 HG SER 2 12.471 11.796 -6.559 15 HB2 SER 2 2HB SER 2 11.796 10.185 -4.899 16 HB3 SER 2 1HB SER 2 11.386 9.878 -6.587 17 H GLY 3 H GLY 3 7.866 9.223 -6.568 18 HA2 GLY 3 2HA GLY 3 8.613 6.548 -5.970 19 HA3 GLY 3 1HA GLY 3 7.349 7.072 -4.865 20 H TRP 4 H TRP 4 6.677 4.976 -6.411 21 HA TRP 4 HA TRP 4 4.597 6.081 -8.104 22 HD1 TRP 4 HD1 TRP 4 5.677 2.250 -10.015 23 HE1 TRP 4 HE1 TRP 4 7.858 0.889 -9.902 24 HE3 TRP 4 HE3 TRP 4 8.895 5.992 -8.655 25 HZ2 TRP 4 HZ2 TRP 4 10.585 1.347 -9.313 26 HZ3 TRP 4 HZ3 TRP 4 11.271 5.444 -8.334 27 HH2 TRP 4 HH2 TRP 4 12.097 3.168 -8.657 28 HB2 TRP 4 2HB TRP 4 5.210 4.885 -10.133 29 HB3 TRP 4 1HB TRP 4 6.514 5.964 -9.655 30 H TYR 5 H TYR 5 3.029 4.529 -8.841 31 HA TYR 5 HA TYR 5 2.888 2.103 -7.159 32 HD1 TYR 5 HD1 TYR 5 1.414 5.739 -7.468 33 HD2 TYR 5 HD2 TYR 5 0.233 2.284 -5.271 34 HE1 TYR 5 HE1 TYR 5 1.051 7.132 -5.475 35 HE2 TYR 5 HE2 TYR 5 -0.126 3.672 -3.276 36 HH TYR 5 HH TYR 5 -0.249 7.057 -3.388 37 HB2 TYR 5 2HB TYR 5 0.688 3.612 -8.600 38 HB3 TYR 5 1HB TYR 5 0.452 2.160 -7.637 39 H GLU 6 H GLU 6 3.074 0.138 -8.137 40 HA GLU 6 HA GLU 6 2.685 -0.009 -11.061 41 HB2 GLU 6 2HB GLU 6 4.243 -1.770 -9.164 42 HB3 GLU 6 1HB GLU 6 3.891 -2.241 -10.822 43 HG2 GLU 6 2HG GLU 6 5.094 -0.273 -11.639 44 HG3 GLU 6 1HG GLU 6 5.438 0.206 -9.980 45 H LEU 7 H LEU 7 0.793 -0.772 -11.720 46 HA LEU 7 HA LEU 7 -0.806 -2.478 -9.946 47 HG LEU 7 HG LEU 7 -2.982 -3.054 -12.082 48 HB2 LEU 7 2HB LEU 7 -1.896 -0.499 -10.869 49 HB3 LEU 7 1HB LEU 7 -1.537 -1.039 -12.498 50 HD11 LEU 7 1HD1 LEU 7 -4.569 -2.982 -10.222 51 HD12 LEU 7 2HD1 LEU 7 -3.761 -1.552 -9.581 52 HD13 LEU 7 3HD1 LEU 7 -2.904 -3.092 -9.654 53 HD21 LEU 7 3HD2 LEU 7 -4.321 -0.363 -11.826 54 HD22 LEU 7 1HD2 LEU 7 -5.096 -1.861 -12.345 55 HD23 LEU 7 2HD2 LEU 7 -3.818 -1.146 -13.327 56 H SER 8 H SER 8 -1.192 -4.564 -10.326 57 HA SER 8 HA SER 8 -0.679 -5.701 -12.994 58 HG SER 8 HG SER 8 -0.102 -6.295 -9.574 59 HB2 SER 8 2HB SER 8 0.429 -7.650 -12.000 60 HB3 SER 8 1HB SER 8 1.294 -6.179 -11.558 61 H LYS 9 H LYS 9 -1.805 -7.776 -13.359 62 HA LYS 9 HA LYS 9 -4.166 -8.071 -11.607 63 HB2 LYS 9 2HB LYS 9 -4.734 -7.132 -13.825 64 HB3 LYS 9 1HB LYS 9 -4.042 -8.553 -14.596 65 HG2 LYS 9 2HG LYS 9 -5.723 -9.972 -13.633 66 HG3 LYS 9 1HG LYS 9 -6.344 -8.644 -12.653 67 HD2 LYS 9 2HD LYS 9 -7.799 -9.017 -14.550 68 HD3 LYS 9 1HD LYS 9 -6.998 -7.455 -14.714 69 HE2 LYS 9 2HE LYS 9 -5.452 -8.358 -16.325 70 HE3 LYS 9 1HE LYS 9 -6.072 -9.989 -16.066 71 HZ1 LYS 9 3HZ LYS 9 -6.923 -8.853 -18.092 72 HZ2 LYS 9 1HZ LYS 9 -7.729 -7.754 -17.092 73 HZ3 LYS 9 2HZ LYS 9 -8.135 -9.396 -17.040 74 H SER 10 H SER 10 -4.644 -10.054 -10.837 75 HA SER 10 HA SER 10 -2.650 -12.133 -11.138 76 HG SER 10 HG SER 10 -5.661 -11.467 -8.651 77 HB2 SER 10 2HB SER 10 -3.836 -13.262 -9.320 78 HB3 SER 10 1HB SER 10 -3.583 -11.566 -8.913 79 H SER 11 H SER 11 -3.503 -14.477 -11.176 80 HA SER 11 HA SER 11 -4.624 -15.050 -13.668 81 HG SER 11 HG SER 11 -2.616 -17.603 -12.165 82 HB2 SER 11 2HB SER 11 -4.586 -16.858 -11.234 83 HB3 SER 11 1HB SER 11 -4.773 -17.375 -12.909 84 H ASN 12 H ASN 12 -6.200 -14.318 -10.671 85 HA ASN 12 HA ASN 12 -8.768 -15.453 -11.398 86 HB2 ASN 12 2HB ASN 12 -8.106 -13.520 -9.158 87 HB3 ASN 12 1HB ASN 12 -9.569 -14.490 -9.310 88 HD21 ASN 12 1HD2 ASN 12 -7.623 -14.413 -7.167 89 HD22 ASN 12 2HD2 ASN 12 -7.019 -16.024 -7.004 90 H ASP 13 H ASP 13 -7.215 -12.986 -12.711 91 HA ASP 13 HA ASP 13 -7.729 -11.101 -13.846 92 HB2 ASP 13 2HB ASP 13 -9.665 -12.643 -14.589 93 HB3 ASP 13 1HB ASP 13 -10.666 -11.714 -13.478 94 H GLN 14 H GLN 14 -7.626 -11.199 -10.859 95 HA GLN 14 HA GLN 14 -9.171 -8.792 -10.162 96 HB2 GLN 14 2HB GLN 14 -7.640 -10.712 -8.391 97 HB3 GLN 14 1HB GLN 14 -8.544 -9.313 -7.822 98 HG2 GLN 14 2HG GLN 14 -10.606 -10.337 -8.765 99 HG3 GLN 14 1HG GLN 14 -9.659 -11.769 -9.169 100 HE21 GLN 14 1HE2 GLN 14 -11.030 -9.876 -6.597 101 HE22 GLN 14 2HE2 GLN 14 -10.840 -11.060 -5.358 102 H PHE 15 H PHE 15 -8.165 -6.930 -9.390 103 HA PHE 15 HA PHE 15 -5.441 -6.596 -10.398 104 HD1 PHE 15 HD2 PHE 15 -9.246 -5.658 -10.838 105 HD2 PHE 15 HD1 PHE 15 -5.595 -4.351 -12.604 106 HE1 PHE 15 HE2 PHE 15 -10.271 -5.825 -13.066 107 HE2 PHE 15 HE1 PHE 15 -6.615 -4.519 -14.837 108 HZ PHE 15 HZ PHE 15 -8.954 -5.257 -15.072 109 HB2 PHE 15 2HB PHE 15 -7.479 -4.538 -9.510 110 HB3 PHE 15 1HB PHE 15 -5.920 -4.180 -10.248 111 H LYS 16 H LYS 16 -3.710 -6.114 -9.206 112 HA LYS 16 HA LYS 16 -3.988 -5.287 -6.398 113 HB2 LYS 16 2HB LYS 16 -2.131 -6.850 -5.782 114 HB3 LYS 16 1HB LYS 16 -3.607 -7.675 -6.267 115 HG2 LYS 16 2HG LYS 16 -2.669 -8.135 -8.462 116 HG3 LYS 16 1HG LYS 16 -1.204 -7.245 -8.042 117 HD2 LYS 16 2HD LYS 16 -0.695 -8.864 -6.294 118 HD3 LYS 16 1HD LYS 16 -2.190 -9.738 -6.639 119 HE2 LYS 16 2HE LYS 16 -1.375 -10.231 -8.901 120 HE3 LYS 16 1HE LYS 16 0.114 -9.352 -8.559 121 HZ1 LYS 16 3HZ LYS 16 0.312 -11.786 -8.329 122 HZ2 LYS 16 1HZ LYS 16 -0.790 -11.741 -7.048 123 HZ3 LYS 16 2HZ LYS 16 0.699 -10.953 -6.907 124 H PHE 17 H PHE 17 -2.603 -3.657 -5.871 125 HA PHE 17 HA PHE 17 -0.464 -3.009 -7.799 126 HD1 PHE 17 HD2 PHE 17 -4.276 -1.978 -6.813 127 HD2 PHE 17 HD1 PHE 17 -1.127 0.349 -5.128 128 HE1 PHE 17 HE2 PHE 17 -5.802 -1.193 -5.052 129 HE2 PHE 17 HE1 PHE 17 -2.652 1.139 -3.366 130 HZ PHE 17 HZ PHE 17 -4.994 0.370 -3.327 131 HB2 PHE 17 2HB PHE 17 -0.889 -0.601 -7.302 132 HB3 PHE 17 1HB PHE 17 -2.234 -1.405 -8.100 133 H VAL 18 H VAL 18 1.435 -2.064 -7.020 134 HA VAL 18 HA VAL 18 1.835 -2.165 -4.092 135 HB VAL 18 HB VAL 18 4.140 -2.978 -4.473 136 HG11 VAL 18 1HG1 VAL 18 3.574 -5.295 -4.998 137 HG12 VAL 18 2HG1 VAL 18 2.025 -4.777 -5.666 138 HG13 VAL 18 3HG1 VAL 18 2.357 -4.572 -3.945 139 HG21 VAL 18 3HG2 VAL 18 4.783 -3.899 -6.664 140 HG22 VAL 18 1HG2 VAL 18 4.491 -2.162 -6.748 141 HG23 VAL 18 2HG2 VAL 18 3.280 -3.289 -7.359 142 H LEU 19 H LEU 19 2.989 -0.511 -3.188 143 HA LEU 19 HA LEU 19 3.720 1.722 -4.949 144 HG LEU 19 HG LEU 19 4.978 3.340 -2.404 145 HB2 LEU 19 2HB LEU 19 2.234 2.273 -3.120 146 HB3 LEU 19 1HB LEU 19 3.340 1.569 -1.956 147 HD11 LEU 19 1HD1 LEU 19 2.907 4.473 -4.284 148 HD12 LEU 19 2HD1 LEU 19 4.465 3.783 -4.740 149 HD13 LEU 19 3HD1 LEU 19 4.403 5.265 -3.791 150 HD21 LEU 19 3HD2 LEU 19 3.735 5.219 -1.434 151 HD22 LEU 19 1HD2 LEU 19 3.356 3.694 -0.632 152 HD23 LEU 19 2HD2 LEU 19 2.217 4.391 -1.785 153 H LYS 20 H LYS 20 5.763 2.060 -5.491 154 HA LYS 20 HA LYS 20 7.914 0.899 -3.833 155 HB2 LYS 20 2HB LYS 20 7.857 1.620 -6.771 156 HB3 LYS 20 1HB LYS 20 9.316 1.139 -5.913 157 HG2 LYS 20 2HG LYS 20 8.302 -1.041 -5.418 158 HG3 LYS 20 1HG LYS 20 6.846 -0.552 -6.292 159 HD2 LYS 20 2HD LYS 20 8.086 -0.365 -8.357 160 HD3 LYS 20 1HD LYS 20 9.605 -0.682 -7.518 161 HE2 LYS 20 2HE LYS 20 8.870 -2.938 -6.987 162 HE3 LYS 20 1HE LYS 20 7.302 -2.625 -7.731 163 HZ1 LYS 20 3HZ LYS 20 8.870 -3.862 -9.167 164 HZ2 LYS 20 1HZ LYS 20 9.885 -2.510 -9.193 165 HZ3 LYS 20 2HZ LYS 20 8.335 -2.414 -9.857 166 H ALA 21 H ALA 21 9.629 2.131 -3.165 167 HA ALA 21 HA ALA 21 9.330 5.008 -3.170 168 HB1 ALA 21 3HB ALA 21 11.577 3.303 -2.080 169 HB2 ALA 21 1HB ALA 21 10.140 3.799 -1.185 170 HB3 ALA 21 2HB ALA 21 11.296 5.010 -1.736 171 H GLY 22 H GLY 22 11.747 6.129 -3.440 172 HA2 GLY 22 2HA GLY 22 12.119 6.338 -6.211 173 HA3 GLY 22 1HA GLY 22 13.221 6.952 -4.993 174 H ASN 23 H ASN 23 13.672 4.219 -3.900 175 HA ASN 23 HA ASN 23 15.815 3.450 -5.681 176 HB2 ASN 23 2HB ASN 23 16.446 1.887 -3.930 177 HB3 ASN 23 1HB ASN 23 16.067 3.447 -3.208 178 HD21 ASN 23 1HD2 ASN 23 16.082 0.846 -1.967 179 HD22 ASN 23 2HD2 ASN 23 14.489 0.588 -1.352 180 H GLY 24 H GLY 24 12.555 2.645 -5.541 181 HA2 GLY 24 2HA GLY 24 11.433 1.187 -6.989 182 HA3 GLY 24 1HA GLY 24 12.958 0.394 -7.347 183 H GLU 25 H GLU 25 12.417 0.728 -3.994 184 HA GLU 25 HA GLU 25 11.804 -2.127 -3.787 185 HB2 GLU 25 2HB GLU 25 13.641 -1.314 -2.434 186 HB3 GLU 25 1HB GLU 25 12.612 -0.091 -1.700 187 HG2 GLU 25 2HG GLU 25 11.368 -1.734 -0.506 188 HG3 GLU 25 1HG GLU 25 12.119 -3.049 -1.407 189 H VAL 26 H VAL 26 9.973 -2.976 -2.852 190 HA VAL 26 HA VAL 26 7.632 -1.284 -2.933 191 HB VAL 26 HB VAL 26 7.859 -4.227 -2.260 192 HG11 VAL 26 1HG1 VAL 26 5.455 -4.323 -2.743 193 HG12 VAL 26 2HG1 VAL 26 5.427 -2.574 -2.972 194 HG13 VAL 26 3HG1 VAL 26 5.800 -3.249 -1.386 195 HG21 VAL 26 3HG2 VAL 26 8.655 -3.753 -4.516 196 HG22 VAL 26 1HG2 VAL 26 7.171 -2.866 -4.873 197 HG23 VAL 26 2HG2 VAL 26 7.112 -4.604 -4.572 198 H ILE 27 H ILE 27 6.935 -0.146 -1.244 199 HA ILE 27 HA ILE 27 7.563 -1.012 1.488 200 HB ILE 27 HB ILE 27 6.594 1.237 2.134 201 HG12 ILE 27 2HG1 ILE 27 6.644 1.634 -0.875 202 HG13 ILE 27 1HG1 ILE 27 5.218 1.655 0.159 203 HG21 ILE 27 1HG2 ILE 27 8.997 0.843 1.974 204 HG22 ILE 27 2HG2 ILE 27 8.590 2.476 1.450 205 HG23 ILE 27 3HG2 ILE 27 8.960 1.232 0.254 206 HD11 ILE 27 3HD1 ILE 27 7.478 3.645 0.237 207 HD12 ILE 27 1HD1 ILE 27 6.039 3.670 1.255 208 HD13 ILE 27 2HD1 ILE 27 5.889 3.898 -0.485 209 H LEU 28 H LEU 28 4.750 -0.336 -0.566 210 HA LEU 28 HA LEU 28 3.021 -1.607 1.471 211 HG LEU 28 HG LEU 28 1.357 1.687 1.830 212 HB2 LEU 28 2HB LEU 28 2.563 0.872 -0.149 213 HB3 LEU 28 1HB LEU 28 1.185 -0.131 0.251 214 HD11 LEU 28 1HD1 LEU 28 0.521 -0.436 2.676 215 HD12 LEU 28 2HD1 LEU 28 1.397 0.442 3.928 216 HD13 LEU 28 3HD1 LEU 28 2.160 -0.923 3.113 217 HD21 LEU 28 3HD2 LEU 28 4.110 0.656 2.517 218 HD22 LEU 28 1HD2 LEU 28 3.262 1.987 3.305 219 HD23 LEU 28 2HD2 LEU 28 3.758 2.133 1.619 220 H THR 29 H THR 29 1.829 -3.275 0.813 221 HA THR 29 HA THR 29 1.452 -3.739 -2.084 222 HB THR 29 HB THR 29 1.912 -5.862 0.038 223 HG1 THR 29 HG1 THR 29 3.861 -6.209 -1.259 224 HG21 THR 29 3HG2 THR 29 1.551 -6.117 -2.958 225 HG22 THR 29 1HG2 THR 29 0.407 -6.648 -1.724 226 HG23 THR 29 2HG2 THR 29 1.980 -7.432 -1.865 227 H SER 30 H SER 30 -0.655 -3.729 -2.637 228 HA SER 30 HA SER 30 -2.696 -4.015 -0.561 229 HG SER 30 HG SER 30 -3.553 -1.447 -1.463 230 HB2 SER 30 2HB SER 30 -2.945 -3.227 -3.478 231 HB3 SER 30 1HB SER 30 -4.272 -3.241 -2.315 232 H GLU 31 H GLU 31 -4.600 -5.344 -0.887 233 HA GLU 31 HA GLU 31 -3.930 -7.984 -1.853 234 HB2 GLU 31 2HB GLU 31 -6.301 -6.811 -0.406 235 HB3 GLU 31 1HB GLU 31 -6.341 -8.452 -1.030 236 HG2 GLU 31 2HG GLU 31 -5.755 -8.385 1.342 237 HG3 GLU 31 1HG GLU 31 -4.465 -9.077 0.364 238 H LEU 32 H LEU 32 -6.229 -9.057 -2.806 239 HA LEU 32 HA LEU 32 -6.225 -8.072 -5.512 240 HG LEU 32 HG LEU 32 -5.302 -10.797 -4.287 241 HB2 LEU 32 2HB LEU 32 -7.722 -10.364 -4.238 242 HB3 LEU 32 1HB LEU 32 -7.704 -10.020 -5.959 243 HD11 LEU 32 1HD1 LEU 32 -6.840 -12.330 -6.385 244 HD12 LEU 32 2HD1 LEU 32 -6.825 -12.659 -4.652 245 HD13 LEU 32 3HD1 LEU 32 -5.353 -12.865 -5.601 246 HD21 LEU 32 3HD2 LEU 32 -4.108 -10.916 -6.432 247 HD22 LEU 32 1HD2 LEU 32 -4.655 -9.278 -6.080 248 HD23 LEU 32 2HD2 LEU 32 -5.526 -10.266 -7.254 249 H TYR 33 H TYR 33 -7.571 -6.650 -6.357 250 HA TYR 33 HA TYR 33 -10.225 -6.203 -5.156 251 HD1 TYR 33 HD2 TYR 33 -6.905 -4.775 -4.940 252 HD2 TYR 33 HD1 TYR 33 -10.669 -2.795 -4.708 253 HE1 TYR 33 HE2 TYR 33 -6.166 -3.628 -2.897 254 HE2 TYR 33 HE1 TYR 33 -9.941 -1.640 -2.664 255 HH TYR 33 HH TYR 33 -6.671 -1.700 -1.564 256 HB2 TYR 33 2HB TYR 33 -8.517 -4.479 -6.968 257 HB3 TYR 33 1HB TYR 33 -10.190 -4.095 -6.586 258 H THR 34 H THR 34 -12.106 -6.379 -6.388 259 HA THR 34 HA THR 34 -11.982 -8.123 -8.668 260 HB THR 34 HB THR 34 -14.463 -7.865 -8.742 261 HG1 THR 34 HG1 THR 34 -15.277 -6.729 -6.730 262 HG21 THR 34 3HG2 THR 34 -13.469 -9.614 -7.363 263 HG22 THR 34 1HG2 THR 34 -14.904 -8.958 -6.578 264 HG23 THR 34 2HG2 THR 34 -13.300 -8.484 -6.020 265 H GLY 35 H GLY 35 -11.795 -4.746 -8.377 266 HA2 GLY 35 2HA GLY 35 -12.169 -4.457 -11.284 267 HA3 GLY 35 1HA GLY 35 -13.068 -3.395 -10.213 268 H LYS 36 H LYS 36 -10.981 -2.855 -12.271 269 HA LYS 36 HA LYS 36 -8.602 -2.011 -10.929 270 HB2 LYS 36 2HB LYS 36 -8.543 -2.534 -13.300 271 HB3 LYS 36 1HB LYS 36 -9.725 -1.279 -13.644 272 HG2 LYS 36 2HG LYS 36 -8.144 0.445 -13.039 273 HG3 LYS 36 1HG LYS 36 -6.969 -0.766 -12.525 274 HD2 LYS 36 2HD LYS 36 -6.736 -1.573 -14.793 275 HD3 LYS 36 1HD LYS 36 -8.029 -0.505 -15.345 276 HE2 LYS 36 2HE LYS 36 -6.686 1.448 -14.835 277 HE3 LYS 36 1HE LYS 36 -5.418 0.433 -14.148 278 HZ1 LYS 36 3HZ LYS 36 -4.989 -0.497 -16.294 279 HZ2 LYS 36 1HZ LYS 36 -4.941 1.185 -16.422 280 HZ3 LYS 36 2HZ LYS 36 -6.291 0.338 -16.983 281 H SER 37 H SER 37 -11.612 -0.416 -11.852 282 HA SER 37 HA SER 37 -10.953 2.236 -11.292 283 HG SER 37 HG SER 37 -13.593 3.504 -11.472 284 HB2 SER 37 2HB SER 37 -13.074 1.651 -12.341 285 HB3 SER 37 1HB SER 37 -13.600 0.813 -10.886 286 H GLY 38 H GLY 38 -12.369 -0.196 -9.081 287 HA2 GLY 38 2HA GLY 38 -12.260 1.357 -6.731 288 HA3 GLY 38 1HA GLY 38 -12.302 -0.400 -6.797 289 H ALA 39 H ALA 39 -9.855 -0.840 -8.161 290 HA ALA 39 HA ALA 39 -7.966 -0.778 -6.089 291 HB1 ALA 39 3HB ALA 39 -7.849 -2.351 -7.966 292 HB2 ALA 39 1HB ALA 39 -6.333 -1.473 -7.769 293 HB3 ALA 39 2HB ALA 39 -7.451 -1.023 -9.057 294 H MET 40 H MET 40 -8.051 1.240 -9.055 295 HA MET 40 HA MET 40 -5.956 2.970 -8.317 296 HB2 MET 40 2HB MET 40 -8.332 3.569 -10.105 297 HB3 MET 40 1HB MET 40 -6.847 4.510 -10.024 298 HG2 MET 40 2HG MET 40 -5.576 2.585 -10.832 299 HG3 MET 40 1HG MET 40 -7.060 1.640 -10.918 300 HE1 MET 40 3HE MET 40 -9.087 2.240 -12.562 301 HE2 MET 40 1HE MET 40 -9.044 3.570 -13.717 302 HE3 MET 40 2HE MET 40 -9.114 3.906 -11.987 303 H ASN 41 H ASN 41 -9.465 3.200 -7.788 304 HA ASN 41 HA ASN 41 -9.585 5.627 -6.428 305 HB2 ASN 41 2HB ASN 41 -11.586 4.392 -7.066 306 HB3 ASN 41 1HB ASN 41 -11.171 3.086 -5.962 307 HD21 ASN 41 1HD2 ASN 41 -12.313 6.361 -6.214 308 HD22 ASN 41 2HD2 ASN 41 -12.928 6.468 -4.604 309 H GLY 42 H GLY 42 -8.728 2.398 -5.204 310 HA2 GLY 42 2HA GLY 42 -8.260 3.054 -2.520 311 HA3 GLY 42 1HA GLY 42 -7.430 1.784 -3.410 312 H ILE 43 H ILE 43 -6.149 3.400 -5.365 313 HA ILE 43 HA ILE 43 -3.837 4.284 -3.988 314 HB ILE 43 HB ILE 43 -4.729 4.932 -6.813 315 HG12 ILE 43 2HG1 ILE 43 -2.864 2.781 -5.766 316 HG13 ILE 43 1HG1 ILE 43 -4.492 2.517 -6.377 317 HG21 ILE 43 1HG2 ILE 43 -2.371 5.446 -7.257 318 HG22 ILE 43 2HG2 ILE 43 -1.997 5.197 -5.551 319 HG23 ILE 43 3HG2 ILE 43 -3.052 6.524 -6.039 320 HD11 ILE 43 3HD1 ILE 43 -2.162 3.550 -7.980 321 HD12 ILE 43 1HD1 ILE 43 -3.789 3.247 -8.589 322 HD13 ILE 43 2HD1 ILE 43 -2.799 1.908 -8.011 323 H GLU 44 H GLU 44 -6.439 6.140 -5.584 324 HA GLU 44 HA GLU 44 -5.736 8.728 -4.894 325 HB2 GLU 44 2HB GLU 44 -8.545 7.588 -4.807 326 HB3 GLU 44 1HB GLU 44 -8.107 9.273 -5.047 327 HG2 GLU 44 2HG GLU 44 -7.329 7.082 -6.959 328 HG3 GLU 44 1HG GLU 44 -8.825 7.999 -7.097 329 H SER 45 H SER 45 -7.542 6.351 -2.985 330 HA SER 45 HA SER 45 -7.984 7.899 -0.687 331 HG SER 45 HG SER 45 -9.383 5.608 -2.144 332 HB2 SER 45 2HB SER 45 -7.640 4.894 -0.912 333 HB3 SER 45 1HB SER 45 -8.308 5.738 0.485 334 H VAL 46 H VAL 46 -5.224 5.830 -1.577 335 HA VAL 46 HA VAL 46 -3.762 5.991 0.804 336 HB VAL 46 HB VAL 46 -2.714 5.894 -2.042 337 HG11 VAL 46 1HG1 VAL 46 -0.960 6.681 -0.546 338 HG12 VAL 46 2HG1 VAL 46 -0.624 5.027 -1.056 339 HG13 VAL 46 3HG1 VAL 46 -1.269 5.338 0.556 340 HG21 VAL 46 3HG2 VAL 46 -4.141 3.994 -1.482 341 HG22 VAL 46 1HG2 VAL 46 -3.187 3.686 -0.030 342 HG23 VAL 46 2HG2 VAL 46 -2.457 3.484 -1.624 343 H GLN 47 H GLN 47 -3.851 8.221 -1.961 344 HA GLN 47 HA GLN 47 -1.932 10.072 -1.089 345 HB2 GLN 47 2HB GLN 47 -4.456 10.688 -2.648 346 HB3 GLN 47 1HB GLN 47 -2.986 11.653 -2.610 347 HG2 GLN 47 2HG GLN 47 -1.762 9.851 -3.718 348 HG3 GLN 47 1HG GLN 47 -3.222 8.863 -3.735 349 HE21 GLN 47 1HE2 GLN 47 -1.611 9.791 -5.961 350 HE22 GLN 47 2HE2 GLN 47 -2.678 10.692 -6.975 351 H THR 48 H THR 48 -5.442 9.960 -0.489 352 HA THR 48 HA THR 48 -5.595 12.291 1.125 353 HB THR 48 HB THR 48 -7.413 9.866 1.238 354 HG1 THR 48 HG1 THR 48 -7.556 12.210 -0.395 355 HG21 THR 48 3HG2 THR 48 -7.930 12.761 1.970 356 HG22 THR 48 1HG2 THR 48 -7.726 11.433 3.116 357 HG23 THR 48 2HG2 THR 48 -9.111 11.453 2.023 358 H ASN 49 H ASN 49 -5.081 8.884 1.931 359 HA ASN 49 HA ASN 49 -5.216 9.203 4.762 360 HB2 ASN 49 2HB ASN 49 -4.034 6.980 3.081 361 HB3 ASN 49 1HB ASN 49 -4.267 6.903 4.826 362 HD21 ASN 49 1HD2 ASN 49 -5.408 5.265 2.718 363 HD22 ASN 49 2HD2 ASN 49 -7.115 5.392 2.892 364 H SER 50 H SER 50 -2.683 9.534 2.437 365 HA SER 50 HA SER 50 -0.356 8.922 3.629 366 HG SER 50 HG SER 50 1.593 10.217 2.196 367 HB2 SER 50 2HB SER 50 -0.381 9.778 1.400 368 HB3 SER 50 1HB SER 50 -0.972 11.347 1.940 369 HA PRO 51 HA PRO 51 0.182 12.900 6.199 370 HB2 PRO 51 2HB PRO 51 -1.629 14.852 6.284 371 HB3 PRO 51 1HB PRO 51 -0.578 14.652 4.875 372 HG2 PRO 51 2HG PRO 51 -3.433 13.791 5.244 373 HG3 PRO 51 1HG PRO 51 -2.678 14.593 3.853 374 HD2 PRO 51 2HD PRO 51 -3.127 11.874 4.027 375 HD3 PRO 51 1HD PRO 51 -1.886 12.616 3.000 376 H ILE 52 H ILE 52 -2.277 10.769 6.581 377 HA ILE 52 HA ILE 52 -3.175 11.860 9.185 378 HB ILE 52 HB ILE 52 -4.624 9.805 7.504 379 HG12 ILE 52 2HG1 ILE 52 -5.210 12.772 7.770 380 HG13 ILE 52 1HG1 ILE 52 -4.489 12.013 6.353 381 HG21 ILE 52 1HG2 ILE 52 -5.497 11.422 9.906 382 HG22 ILE 52 2HG2 ILE 52 -5.156 9.691 9.881 383 HG23 ILE 52 3HG2 ILE 52 -6.531 10.332 8.980 384 HD11 ILE 52 3HD1 ILE 52 -6.834 12.415 5.984 385 HD12 ILE 52 1HD1 ILE 52 -7.252 11.513 7.440 386 HD13 ILE 52 2HD1 ILE 52 -6.533 10.678 6.060 387 H GLU 53 H GLU 53 -1.975 10.952 10.766 388 HA GLU 53 HA GLU 53 -0.681 8.479 10.743 389 HB2 GLU 53 2HB GLU 53 -0.174 10.273 12.344 390 HB3 GLU 53 1HB GLU 53 -1.730 10.030 13.124 391 HG2 GLU 53 2HG GLU 53 -0.156 8.974 14.506 392 HG3 GLU 53 1HG GLU 53 -0.963 7.671 13.639 393 H ALA 54 H ALA 54 -3.960 9.286 11.800 394 HA ALA 54 HA ALA 54 -4.643 6.920 13.118 395 HB1 ALA 54 3HB ALA 54 -6.967 7.583 12.778 396 HB2 ALA 54 1HB ALA 54 -6.463 8.755 11.560 397 HB3 ALA 54 2HB ALA 54 -5.974 8.966 13.241 398 H ARG 55 H ARG 55 -4.123 7.372 9.757 399 HA ARG 55 HA ARG 55 -5.801 5.120 8.958 400 HE ARG 55 HE ARG 55 -8.427 8.261 8.773 401 HB2 ARG 55 2HB ARG 55 -3.892 6.779 7.295 402 HB3 ARG 55 1HB ARG 55 -5.100 5.653 6.687 403 HG2 ARG 55 2HG ARG 55 -5.709 8.160 8.249 404 HG3 ARG 55 1HG ARG 55 -5.779 8.018 6.493 405 HD2 ARG 55 2HD ARG 55 -7.608 6.520 6.586 406 HD3 ARG 55 1HD ARG 55 -7.387 6.235 8.313 407 HH11 ARG 55 1HH1 ARG 55 -8.136 7.825 5.357 408 HH12 ARG 55 2HH1 ARG 55 -9.244 9.106 5.009 409 HH21 ARG 55 1HH2 ARG 55 -9.840 9.866 8.298 410 HH22 ARG 55 2HH2 ARG 55 -10.195 10.240 6.646 411 H TYR 56 H TYR 56 -2.534 5.734 9.872 412 HA TYR 56 HA TYR 56 -1.535 3.257 8.688 413 HD1 TYR 56 HD1 TYR 56 0.926 3.613 7.260 414 HD2 TYR 56 HD2 TYR 56 -0.640 7.265 8.791 415 HE1 TYR 56 HE1 TYR 56 1.355 4.694 5.099 416 HE2 TYR 56 HE2 TYR 56 -0.210 8.360 6.626 417 HH TYR 56 HH TYR 56 0.521 6.635 3.807 418 HB2 TYR 56 2HB TYR 56 -0.162 5.434 10.284 419 HB3 TYR 56 1HB TYR 56 0.651 3.983 9.703 420 H ALA 57 H ALA 57 -2.500 1.607 9.803 421 HA ALA 57 HA ALA 57 -2.272 1.521 12.731 422 HB1 ALA 57 3HB ALA 57 -3.814 -0.358 12.624 423 HB2 ALA 57 1HB ALA 57 -3.729 -0.354 10.861 424 HB3 ALA 57 2HB ALA 57 -4.457 1.009 11.712 425 H LYS 58 H LYS 58 -0.360 0.740 13.441 426 HA LYS 58 HA LYS 58 1.032 -1.269 11.802 427 HB2 LYS 58 2HB LYS 58 3.041 -0.566 13.309 428 HB3 LYS 58 1HB LYS 58 2.536 0.473 11.988 429 HG2 LYS 58 2HG LYS 58 1.511 0.934 14.773 430 HG3 LYS 58 1HG LYS 58 3.099 1.526 14.279 431 HD2 LYS 58 2HD LYS 58 2.107 2.840 12.503 432 HD3 LYS 58 1HD LYS 58 0.514 2.161 12.839 433 HE2 LYS 58 2HE LYS 58 0.595 3.187 15.093 434 HE3 LYS 58 1HE LYS 58 2.137 3.931 14.670 435 HZ1 LYS 58 3HZ LYS 58 -0.427 4.400 13.245 436 HZ2 LYS 58 1HZ LYS 58 1.047 5.164 12.924 437 HZ3 LYS 58 2HZ LYS 58 0.254 5.443 14.387 438 H GLU 59 H GLU 59 1.391 -3.256 12.490 439 HA GLU 59 HA GLU 59 1.144 -3.899 15.356 440 HB2 GLU 59 2HB GLU 59 -0.177 -5.418 13.087 441 HB3 GLU 59 1HB GLU 59 -0.113 -5.965 14.758 442 HG2 GLU 59 2HG GLU 59 -1.407 -3.999 15.444 443 HG3 GLU 59 1HG GLU 59 -1.486 -3.472 13.765 444 H VAL 60 H VAL 60 1.666 -6.508 15.425 445 HA VAL 60 HA VAL 60 4.183 -6.886 13.917 446 HB VAL 60 HB VAL 60 3.621 -7.764 16.763 447 HG11 VAL 60 1HG1 VAL 60 6.143 -8.026 15.115 448 HG12 VAL 60 2HG1 VAL 60 5.067 -9.343 15.578 449 HG13 VAL 60 3HG1 VAL 60 5.967 -8.466 16.814 450 HG21 VAL 60 3HG2 VAL 60 3.966 -5.345 16.587 451 HG22 VAL 60 1HG2 VAL 60 5.481 -5.618 15.724 452 HG23 VAL 60 2HG2 VAL 60 5.319 -6.123 17.407 453 H ALA 61 H ALA 61 4.264 -8.676 12.713 454 HA ALA 61 HA ALA 61 2.148 -10.502 12.466 455 HB1 ALA 61 3HB ALA 61 3.767 -10.022 10.680 456 HB2 ALA 61 1HB ALA 61 3.616 -11.753 10.987 457 HB3 ALA 61 2HB ALA 61 5.017 -10.867 11.594 458 H LYS 62 H LYS 62 2.145 -12.808 12.855 459 HA LYS 62 HA LYS 62 2.499 -13.465 15.525 460 HB2 LYS 62 2HB LYS 62 2.060 -15.812 14.824 461 HB3 LYS 62 1HB LYS 62 0.915 -14.652 14.166 462 HG2 LYS 62 2HG LYS 62 2.114 -14.696 12.021 463 HG3 LYS 62 1HG LYS 62 3.247 -15.872 12.687 464 HD2 LYS 62 2HD LYS 62 1.564 -17.002 11.348 465 HD3 LYS 62 1HD LYS 62 1.385 -17.444 13.046 466 HE2 LYS 62 2HE LYS 62 -0.796 -17.056 12.096 467 HE3 LYS 62 1HE LYS 62 -0.437 -15.767 13.244 468 HZ1 LYS 62 3HZ LYS 62 -1.427 -14.916 11.205 469 HZ2 LYS 62 1HZ LYS 62 -0.164 -15.568 10.291 470 HZ3 LYS 62 2HZ LYS 62 0.141 -14.329 11.398 471 H ASN 63 H ASN 63 4.755 -13.930 12.859 472 HA ASN 63 HA ASN 63 6.591 -15.514 14.471 473 HB2 ASN 63 2HB ASN 63 7.014 -14.291 11.733 474 HB3 ASN 63 1HB ASN 63 8.009 -15.533 12.487 475 HD21 ASN 63 1HD2 ASN 63 6.565 -15.563 9.975 476 HD22 ASN 63 2HD2 ASN 63 5.493 -16.914 10.057 477 H ASP 64 H ASP 64 5.837 -12.577 15.025 478 HA ASP 64 HA ASP 64 6.762 -10.699 15.838 479 HB2 ASP 64 2HB ASP 64 8.053 -12.311 17.225 480 HB3 ASP 64 1HB ASP 64 9.331 -12.295 16.013 481 H LYS 65 H LYS 65 6.363 -10.067 13.526 482 HA LYS 65 HA LYS 65 8.787 -8.680 12.612 483 HB2 LYS 65 2HB LYS 65 6.822 -10.136 10.829 484 HB3 LYS 65 1HB LYS 65 7.866 -8.859 10.227 485 HG2 LYS 65 2HG LYS 65 9.124 -10.674 9.690 486 HG3 LYS 65 1HG LYS 65 9.760 -10.345 11.302 487 HD2 LYS 65 2HD LYS 65 7.993 -12.020 12.132 488 HD3 LYS 65 1HD LYS 65 7.827 -12.485 10.437 489 HE2 LYS 65 2HE LYS 65 9.385 -13.979 11.482 490 HE3 LYS 65 1HE LYS 65 10.277 -12.930 10.381 491 HZ1 LYS 65 3HZ LYS 65 10.911 -11.560 12.290 492 HZ2 LYS 65 1HZ LYS 65 11.437 -13.154 12.472 493 HZ3 LYS 65 2HZ LYS 65 10.089 -12.608 13.331 494 HA PRO 66 HA PRO 66 5.711 -5.474 13.363 495 HB2 PRO 66 2HB PRO 66 7.413 -3.376 13.388 496 HB3 PRO 66 1HB PRO 66 7.305 -4.518 14.732 497 HG2 PRO 66 2HG PRO 66 9.311 -4.403 12.506 498 HG3 PRO 66 1HG PRO 66 9.580 -4.667 14.239 499 HD2 PRO 66 2HD PRO 66 9.513 -6.692 12.412 500 HD3 PRO 66 1HD PRO 66 9.031 -6.901 14.108 501 H TYR 67 H TYR 67 4.399 -4.932 11.717 502 HA TYR 67 HA TYR 67 5.486 -3.287 9.539 503 HD1 TYR 67 HD2 TYR 67 4.173 -7.143 10.413 504 HD2 TYR 67 HD1 TYR 67 1.889 -4.764 7.715 505 HE1 TYR 67 HE2 TYR 67 2.210 -8.566 10.820 506 HE2 TYR 67 HE1 TYR 67 -0.075 -6.187 8.113 507 HH TYR 67 HH TYR 67 -0.622 -8.402 8.879 508 HB2 TYR 67 2HB TYR 67 4.238 -4.467 7.835 509 HB3 TYR 67 1HB TYR 67 5.256 -5.619 8.687 510 H PHE 68 H PHE 68 3.327 -2.540 8.161 511 HA PHE 68 HA PHE 68 1.264 -1.777 10.104 512 HD1 PHE 68 HD2 PHE 68 4.844 -0.364 8.624 513 HD2 PHE 68 HD1 PHE 68 1.225 1.407 7.233 514 HE1 PHE 68 HE2 PHE 68 6.017 0.470 6.630 515 HE2 PHE 68 HE1 PHE 68 2.398 2.245 5.243 516 HZ PHE 68 HZ PHE 68 4.796 1.776 4.938 517 HB2 PHE 68 2HB PHE 68 1.369 0.582 9.454 518 HB3 PHE 68 1HB PHE 68 2.901 0.049 10.134 519 H ASN 69 H ASN 69 -0.738 -1.294 9.272 520 HA ASN 69 HA ASN 69 -1.159 -1.850 6.408 521 HB2 ASN 69 2HB ASN 69 -3.119 -1.993 8.721 522 HB3 ASN 69 1HB ASN 69 -3.494 -2.363 7.040 523 HD21 ASN 69 1HD2 ASN 69 -2.710 -4.261 6.126 524 HD22 ASN 69 2HD2 ASN 69 -2.085 -5.546 7.095 525 H LEU 70 H LEU 70 -2.611 -0.510 5.230 526 HA LEU 70 HA LEU 70 -2.944 2.190 6.370 527 HG LEU 70 HG LEU 70 -3.970 3.487 3.676 528 HB2 LEU 70 2HB LEU 70 -1.410 2.052 4.432 529 HB3 LEU 70 1HB LEU 70 -2.710 1.388 3.460 530 HD11 LEU 70 1HD1 LEU 70 -3.189 4.188 5.871 531 HD12 LEU 70 2HD1 LEU 70 -2.918 5.461 4.683 532 HD13 LEU 70 3HD1 LEU 70 -1.569 4.464 5.228 533 HD21 LEU 70 3HD2 LEU 70 -1.125 3.916 2.756 534 HD22 LEU 70 1HD2 LEU 70 -2.527 4.883 2.295 535 HD23 LEU 70 2HD2 LEU 70 -2.420 3.193 1.800 536 H LYS 71 H LYS 71 -4.942 2.700 6.873 537 HA LYS 71 HA LYS 71 -7.182 1.271 5.613 538 HB2 LYS 71 2HB LYS 71 -7.061 2.784 8.234 539 HB3 LYS 71 1HB LYS 71 -8.480 1.952 7.607 540 HG2 LYS 71 2HG LYS 71 -7.222 -0.180 7.697 541 HG3 LYS 71 1HG LYS 71 -5.868 0.686 8.430 542 HD2 LYS 71 2HD LYS 71 -7.283 1.323 10.319 543 HD3 LYS 71 1HD LYS 71 -8.659 0.499 9.583 544 HE2 LYS 71 2HE LYS 71 -7.387 -1.630 9.707 545 HE3 LYS 71 1HE LYS 71 -6.095 -0.774 10.548 546 HZ1 LYS 71 3HZ LYS 71 -7.613 -0.261 12.331 547 HZ2 LYS 71 1HZ LYS 71 -7.593 -1.931 12.070 548 HZ3 LYS 71 2HZ LYS 71 -8.892 -1.011 11.514 549 H ALA 72 H ALA 72 -8.923 2.344 4.733 550 HA ALA 72 HA ALA 72 -8.593 5.142 4.031 551 HB1 ALA 72 3HB ALA 72 -9.424 3.561 2.365 552 HB2 ALA 72 1HB ALA 72 -10.612 4.826 2.682 553 HB3 ALA 72 2HB ALA 72 -10.829 3.219 3.375 554 H ALA 73 H ALA 73 -10.850 6.424 4.086 555 HA ALA 73 HA ALA 73 -11.193 7.330 6.666 556 HB1 ALA 73 3HB ALA 73 -13.216 7.512 4.438 557 HB2 ALA 73 1HB ALA 73 -11.835 8.583 4.665 558 HB3 ALA 73 2HB ALA 73 -13.131 8.552 5.859 559 H ASN 74 H ASN 74 -13.186 4.876 5.018 560 HA ASN 74 HA ASN 74 -15.046 4.639 7.213 561 HB2 ASN 74 2HB ASN 74 -15.578 4.168 4.777 562 HB3 ASN 74 1HB ASN 74 -14.650 2.683 4.932 563 HD21 ASN 74 1HD2 ASN 74 -15.476 1.005 6.237 564 HD22 ASN 74 2HD2 ASN 74 -17.143 0.957 6.683 565 H HIS 75 H HIS 75 -11.945 3.887 7.223 566 HA HIS 75 HA HIS 75 -10.579 2.570 8.469 567 HD1 HIS 75 HD1 HIS 75 -10.186 3.177 11.573 568 HD2 HIS 75 HD2 HIS 75 -13.928 4.408 10.247 569 HE1 HIS 75 HE1 HIS 75 -10.595 5.387 12.677 570 HE2 HIS 75 HE2 HIS 75 -12.767 6.198 11.712 571 HB2 HIS 75 2HB HIS 75 -13.146 1.717 9.833 572 HB3 HIS 75 1HB HIS 75 -11.528 1.318 10.399 573 H GLN 76 H GLN 76 -10.512 1.586 6.228 574 HA GLN 76 HA GLN 76 -11.050 -1.305 6.415 575 HB2 GLN 76 2HB GLN 76 -11.843 -1.365 4.131 576 HB3 GLN 76 1HB GLN 76 -12.786 -0.182 5.026 577 HG2 GLN 76 2HG GLN 76 -11.206 1.573 4.083 578 HG3 GLN 76 1HG GLN 76 -10.635 0.314 2.991 579 HE21 GLN 76 1HE2 GLN 76 -13.226 2.445 3.795 580 HE22 GLN 76 2HE2 GLN 76 -14.172 2.165 2.376 581 H ILE 77 H ILE 77 -9.454 -2.633 5.522 582 HA ILE 77 HA ILE 77 -6.853 -1.476 5.204 583 HB ILE 77 HB ILE 77 -7.734 -4.324 4.663 584 HG12 ILE 77 2HG1 ILE 77 -8.154 -3.625 6.991 585 HG13 ILE 77 1HG1 ILE 77 -6.872 -4.828 6.905 586 HG21 ILE 77 1HG2 ILE 77 -4.958 -3.194 5.079 587 HG22 ILE 77 2HG2 ILE 77 -5.620 -3.787 3.556 588 HG23 ILE 77 3HG2 ILE 77 -5.361 -4.901 4.896 589 HD11 ILE 77 3HD1 ILE 77 -6.358 -3.076 8.501 590 HD12 ILE 77 1HD1 ILE 77 -6.483 -1.861 7.229 591 HD13 ILE 77 2HD1 ILE 77 -5.204 -3.076 7.169 592 H ILE 78 H ILE 78 -6.743 -0.163 3.387 593 HA ILE 78 HA ILE 78 -7.378 -1.324 0.778 594 HB ILE 78 HB ILE 78 -6.850 0.849 -0.180 595 HG12 ILE 78 2HG1 ILE 78 -6.214 1.760 2.644 596 HG13 ILE 78 1HG1 ILE 78 -5.010 1.447 1.398 597 HG21 ILE 78 1HG2 ILE 78 -8.637 2.168 0.880 598 HG22 ILE 78 2HG2 ILE 78 -8.640 1.052 2.246 599 HG23 ILE 78 3HG2 ILE 78 -9.105 0.485 0.642 600 HD11 ILE 78 3HD1 ILE 78 -5.417 3.805 1.582 601 HD12 ILE 78 1HD1 ILE 78 -7.146 3.562 1.327 602 HD13 ILE 78 2HD1 ILE 78 -6.003 3.223 0.025 603 H GLY 79 H GLY 79 -4.643 -0.765 2.831 604 HA2 GLY 79 2HA GLY 79 -2.943 -2.112 0.833 605 HA3 GLY 79 1HA GLY 79 -2.396 -0.568 1.465 606 H THR 80 H THR 80 -1.225 -3.302 1.678 607 HA THR 80 HA THR 80 -0.872 -3.313 4.616 608 HB THR 80 HB THR 80 -1.078 -5.786 2.863 609 HG1 THR 80 HG1 THR 80 -3.134 -5.539 3.324 610 HG21 THR 80 3HG2 THR 80 0.589 -6.079 4.625 611 HG22 THR 80 1HG2 THR 80 -0.848 -7.045 4.968 612 HG23 THR 80 2HG2 THR 80 -0.574 -5.533 5.834 613 H SER 81 H SER 81 1.252 -3.027 5.149 614 HA SER 81 HA SER 81 3.271 -3.037 3.096 615 HG SER 81 HG SER 81 4.502 -3.629 6.437 616 HB2 SER 81 2HB SER 81 4.781 -2.215 4.747 617 HB3 SER 81 1HB SER 81 3.224 -1.476 5.113 618 H GLN 82 H GLN 82 5.284 -4.252 3.208 619 HA GLN 82 HA GLN 82 4.854 -7.044 3.735 620 HB2 GLN 82 2HB GLN 82 7.407 -5.610 2.954 621 HB3 GLN 82 1HB GLN 82 7.131 -7.347 2.882 622 HG2 GLN 82 2HG GLN 82 5.358 -6.967 1.207 623 HG3 GLN 82 1HG GLN 82 5.714 -5.242 1.249 624 HE21 GLN 82 1HE2 GLN 82 7.706 -4.512 0.392 625 HE22 GLN 82 2HE2 GLN 82 8.610 -5.485 -0.709 626 H MET 83 H MET 83 6.425 -8.343 5.045 627 HA MET 83 HA MET 83 6.540 -7.351 7.706 628 HB2 MET 83 2HB MET 83 7.638 -9.492 8.252 629 HB3 MET 83 1HB MET 83 6.188 -9.719 7.288 630 HG2 MET 83 2HG MET 83 9.016 -9.813 6.247 631 HG3 MET 83 1HG MET 83 8.001 -11.209 6.602 632 HE1 MET 83 3HE MET 83 5.202 -10.910 3.879 633 HE2 MET 83 1HE MET 83 5.147 -10.314 5.541 634 HE3 MET 83 2HE MET 83 5.860 -11.892 5.188 635 H TYR 84 H TYR 84 8.004 -6.008 8.536 636 HA TYR 84 HA TYR 84 10.606 -5.663 7.258 637 HD1 TYR 84 HD2 TYR 84 10.827 -3.033 6.353 638 HD2 TYR 84 HD1 TYR 84 7.259 -3.441 8.645 639 HE1 TYR 84 HE2 TYR 84 9.622 -1.646 4.719 640 HE2 TYR 84 HE1 TYR 84 6.047 -2.065 7.010 641 HH TYR 84 HH TYR 84 7.258 -1.317 3.963 642 HB2 TYR 84 2HB TYR 84 9.327 -4.164 9.560 643 HB3 TYR 84 1HB TYR 84 10.851 -3.737 8.790 644 H SER 85 H SER 85 12.508 -5.296 8.836 645 HA SER 85 HA SER 85 12.848 -7.692 10.413 646 HG SER 85 HG SER 85 15.708 -4.905 9.590 647 HB2 SER 85 2HB SER 85 15.154 -6.837 10.773 648 HB3 SER 85 1HB SER 85 14.711 -6.872 9.066 649 H SER 86 H SER 86 13.471 -4.271 11.268 650 HA SER 86 HA SER 86 12.474 -4.864 13.995 651 HG SER 86 HG SER 86 14.766 -5.439 13.899 652 HB2 SER 86 2HB SER 86 14.526 -2.774 13.213 653 HB3 SER 86 1HB SER 86 14.000 -3.164 14.847 654 H THR 87 H THR 87 11.882 -2.717 15.168 655 HA THR 87 HA THR 87 9.599 -1.614 13.965 656 HB THR 87 HB THR 87 9.662 0.066 15.809 657 HG1 THR 87 HG1 THR 87 11.434 -0.440 17.398 658 HG21 THR 87 3HG2 THR 87 9.472 -1.557 17.653 659 HG22 THR 87 1HG2 THR 87 10.217 -2.791 16.638 660 HG23 THR 87 2HG2 THR 87 8.644 -2.118 16.201 661 H ALA 88 H ALA 88 12.912 -0.384 14.149 662 HA ALA 88 HA ALA 88 12.562 2.191 13.162 663 HB1 ALA 88 3HB ALA 88 14.680 1.330 14.061 664 HB2 ALA 88 1HB ALA 88 14.897 2.104 12.491 665 HB3 ALA 88 2HB ALA 88 14.885 0.344 12.613 666 H ALA 89 H ALA 89 13.107 -0.814 11.312 667 HA ALA 89 HA ALA 89 13.003 0.288 8.736 668 HB1 ALA 89 3HB ALA 89 12.122 -2.472 9.588 669 HB2 ALA 89 1HB ALA 89 13.781 -1.993 9.234 670 HB3 ALA 89 2HB ALA 89 12.567 -1.969 7.956 671 H ARG 90 H ARG 90 10.389 -0.832 10.854 672 HA ARG 90 HA ARG 90 8.267 -0.547 8.999 673 HE ARG 90 HE ARG 90 6.622 0.208 13.504 674 HB2 ARG 90 2HB ARG 90 8.021 -1.821 11.081 675 HB3 ARG 90 1HB ARG 90 8.236 -0.350 12.023 676 HG2 ARG 90 2HG ARG 90 6.166 0.560 11.083 677 HG3 ARG 90 1HG ARG 90 5.945 -0.916 10.139 678 HD2 ARG 90 2HD ARG 90 4.572 -0.954 12.150 679 HD3 ARG 90 1HD ARG 90 5.802 -2.216 12.210 680 HH11 ARG 90 1HH1 ARG 90 4.815 -2.698 13.925 681 HH12 ARG 90 2HH1 ARG 90 5.028 -2.706 15.642 682 HH21 ARG 90 1HH2 ARG 90 6.871 0.190 15.717 683 HH22 ARG 90 2HH2 ARG 90 6.164 -1.095 16.640 684 H ASP 91 H ASP 91 9.476 1.660 11.523 685 HA ASP 91 HA ASP 91 7.828 3.853 11.011 686 HB2 ASP 91 2HB ASP 91 9.342 3.617 12.970 687 HB3 ASP 91 1HB ASP 91 10.724 3.875 11.912 688 H ASN 92 H ASN 92 10.833 2.827 9.468 689 HA ASN 92 HA ASN 92 11.212 5.016 7.733 690 HB2 ASN 92 2HB ASN 92 12.936 3.308 8.127 691 HB3 ASN 92 1HB ASN 92 11.938 2.101 7.321 692 HD21 ASN 92 1HD2 ASN 92 13.378 1.667 5.704 693 HD22 ASN 92 2HD2 ASN 92 13.787 2.799 4.467 694 H GLY 93 H GLY 93 9.424 1.961 7.291 695 HA2 GLY 93 2HA GLY 93 8.520 2.365 4.674 696 HA3 GLY 93 1HA GLY 93 7.672 1.432 5.899 697 H ILE 94 H ILE 94 7.026 3.381 7.742 698 HA ILE 94 HA ILE 94 4.685 4.498 6.694 699 HB ILE 94 HB ILE 94 6.186 5.354 9.181 700 HG12 ILE 94 2HG1 ILE 94 3.929 3.348 8.838 701 HG13 ILE 94 1HG1 ILE 94 5.615 2.939 9.138 702 HG21 ILE 94 1HG2 ILE 94 4.010 6.202 9.961 703 HG22 ILE 94 2HG2 ILE 94 3.297 5.796 8.399 704 HG23 ILE 94 3HG2 ILE 94 4.552 7.032 8.502 705 HD11 ILE 94 3HD1 ILE 94 3.799 4.448 11.009 706 HD12 ILE 94 1HD1 ILE 94 5.493 4.062 11.309 707 HD13 ILE 94 2HD1 ILE 94 4.308 2.766 11.165 708 H LYS 95 H LYS 95 7.727 6.211 7.564 709 HA LYS 95 HA LYS 95 6.836 8.752 6.736 710 HB2 LYS 95 2HB LYS 95 9.189 9.443 6.828 711 HB3 LYS 95 1HB LYS 95 8.741 8.485 8.232 712 HG2 LYS 95 2HG LYS 95 9.785 6.503 7.106 713 HG3 LYS 95 1HG LYS 95 10.380 7.600 5.860 714 HD2 LYS 95 2HD LYS 95 11.013 7.763 8.816 715 HD3 LYS 95 1HD LYS 95 12.091 7.145 7.565 716 HE2 LYS 95 2HE LYS 95 11.027 9.969 7.719 717 HE3 LYS 95 1HE LYS 95 12.636 9.455 8.225 718 HZ1 LYS 95 3HZ LYS 95 13.101 8.793 5.947 719 HZ2 LYS 95 1HZ LYS 95 12.665 10.424 6.020 720 HZ3 LYS 95 2HZ LYS 95 11.556 9.280 5.462 721 H SER 96 H SER 96 8.345 6.149 4.895 722 HA SER 96 HA SER 96 8.956 7.710 2.588 723 HG SER 96 HG SER 96 8.451 4.140 3.662 724 HB2 SER 96 2HB SER 96 9.307 5.599 1.430 725 HB3 SER 96 1HB SER 96 10.009 5.503 3.044 726 H VAL 97 H VAL 97 6.206 5.521 3.312 727 HA VAL 97 HA VAL 97 4.805 6.093 0.910 728 HB VAL 97 HB VAL 97 4.251 4.094 2.130 729 HG11 VAL 97 1HG1 VAL 97 3.074 4.150 4.289 730 HG12 VAL 97 2HG1 VAL 97 3.313 5.896 4.360 731 HG13 VAL 97 3HG1 VAL 97 4.705 4.813 4.393 732 HG21 VAL 97 3HG2 VAL 97 1.913 6.011 2.163 733 HG22 VAL 97 1HG2 VAL 97 1.803 4.250 2.193 734 HG23 VAL 97 2HG2 VAL 97 2.468 5.068 0.780 735 H MET 98 H MET 98 4.731 7.645 4.109 736 HA MET 98 HA MET 98 2.637 9.459 3.616 737 HB2 MET 98 2HB MET 98 5.142 9.802 5.286 738 HB3 MET 98 1HB MET 98 3.803 10.941 5.283 739 HG2 MET 98 2HG MET 98 2.311 9.204 6.126 740 HG3 MET 98 1HG MET 98 3.641 8.047 6.112 741 HE1 MET 98 3HE MET 98 3.459 11.748 8.872 742 HE2 MET 98 1HE MET 98 2.175 11.298 7.751 743 HE3 MET 98 2HE MET 98 3.727 11.863 7.132 744 H GLU 99 H GLU 99 6.043 9.542 2.725 745 HA GLU 99 HA GLU 99 5.916 12.201 1.633 746 HB2 GLU 99 2HB GLU 99 7.984 10.163 2.091 747 HB3 GLU 99 1HB GLU 99 8.238 11.107 0.630 748 HG2 GLU 99 2HG GLU 99 7.910 12.185 3.423 749 HG3 GLU 99 1HG GLU 99 9.404 12.114 2.483 750 H ASN 100 H ASN 100 5.780 8.940 0.244 751 HA ASN 100 HA ASN 100 5.912 10.105 -2.454 752 HB2 ASN 100 2HB ASN 100 6.221 7.224 -1.591 753 HB3 ASN 100 1HB ASN 100 6.448 7.843 -3.225 754 HD21 ASN 100 1HD2 ASN 100 8.363 6.481 -1.555 755 HD22 ASN 100 2HD2 ASN 100 9.691 7.561 -1.351 756 H GLY 101 H GLY 101 3.680 8.525 -0.331 757 HA2 GLY 101 2HA GLY 101 2.005 7.295 -2.247 758 HA3 GLY 101 1HA GLY 101 1.546 7.722 -0.609 759 H LYS 102 H LYS 102 2.515 10.578 -1.898 760 HA LYS 102 HA LYS 102 -0.225 11.447 -2.287 761 HB2 LYS 102 2HB LYS 102 2.307 13.088 -2.496 762 HB3 LYS 102 1HB LYS 102 0.667 13.689 -2.282 763 HG2 LYS 102 2HG LYS 102 0.596 12.591 -0.061 764 HG3 LYS 102 1HG LYS 102 2.277 12.101 -0.284 765 HD2 LYS 102 2HD LYS 102 2.899 14.500 -0.511 766 HD3 LYS 102 1HD LYS 102 1.224 14.933 -0.165 767 HE2 LYS 102 2HE LYS 102 3.133 13.484 1.674 768 HE3 LYS 102 1HE LYS 102 2.557 15.140 1.847 769 HZ1 LYS 102 3HZ LYS 102 0.958 12.655 2.091 770 HZ2 LYS 102 1HZ LYS 102 0.280 14.206 2.049 771 HZ3 LYS 102 2HZ LYS 102 1.318 13.765 3.310 772 H THR 103 H THR 103 2.396 10.506 -4.337 773 HA THR 103 HA THR 103 1.849 12.306 -6.508 774 HB THR 103 HB THR 103 4.097 11.363 -6.201 775 HG1 THR 103 HG1 THR 103 4.009 11.900 -8.269 776 HG21 THR 103 3HG2 THR 103 4.583 9.044 -6.806 777 HG22 THR 103 1HG2 THR 103 2.866 8.738 -7.064 778 HG23 THR 103 2HG2 THR 103 3.463 9.107 -5.447 779 H THR 104 H THR 104 1.240 11.665 -8.688 780 HA THR 104 HA THR 104 -0.851 9.580 -8.728 781 HB THR 104 HB THR 104 -1.696 10.652 -10.760 782 HG1 THR 104 HG1 THR 104 -0.709 12.663 -11.429 783 HG21 THR 104 3HG2 THR 104 -2.446 12.781 -9.801 784 HG22 THR 104 1HG2 THR 104 -1.198 12.668 -8.560 785 HG23 THR 104 2HG2 THR 104 -2.510 11.490 -8.601 786 H THR 105 H THR 105 2.313 9.667 -9.324 787 HA THR 105 HA THR 105 2.624 8.680 -11.960 788 HB THR 105 HB THR 105 4.436 8.078 -9.604 789 HG1 THR 105 HG1 THR 105 5.088 10.090 -9.684 790 HG21 THR 105 3HG2 THR 105 6.195 7.955 -11.311 791 HG22 THR 105 1HG2 THR 105 4.999 8.267 -12.570 792 HG23 THR 105 2HG2 THR 105 4.920 6.778 -11.628 793 H ILE 106 H ILE 106 1.476 6.919 -12.612 794 HA ILE 106 HA ILE 106 1.628 4.467 -10.962 795 HB ILE 106 HB ILE 106 -0.807 5.440 -12.481 796 HG12 ILE 106 2HG1 ILE 106 -0.366 5.150 -9.490 797 HG13 ILE 106 1HG1 ILE 106 -0.373 6.675 -10.370 798 HG21 ILE 106 1HG2 ILE 106 -1.960 3.504 -11.480 799 HG22 ILE 106 2HG2 ILE 106 -0.423 2.953 -10.809 800 HG23 ILE 106 3HG2 ILE 106 -0.649 3.016 -12.557 801 HD11 ILE 106 3HD1 ILE 106 -2.711 6.314 -10.980 802 HD12 ILE 106 1HD1 ILE 106 -2.484 6.307 -9.230 803 HD13 ILE 106 2HD1 ILE 106 -2.704 4.785 -10.096 804 H LYS 107 H LYS 107 2.556 2.837 -12.021 805 HA LYS 107 HA LYS 107 2.589 2.743 -14.949 806 HB2 LYS 107 2HB LYS 107 3.917 0.904 -12.938 807 HB3 LYS 107 1HB LYS 107 4.183 0.897 -14.675 808 HG2 LYS 107 2HG LYS 107 5.197 3.118 -14.540 809 HG3 LYS 107 1HG LYS 107 4.901 3.152 -12.798 810 HD2 LYS 107 2HD LYS 107 6.317 1.132 -12.552 811 HD3 LYS 107 1HD LYS 107 6.667 1.190 -14.280 812 HE2 LYS 107 2HE LYS 107 7.314 3.391 -12.315 813 HE3 LYS 107 1HE LYS 107 8.457 2.161 -12.853 814 HZ1 LYS 107 3HZ LYS 107 7.140 4.217 -14.538 815 HZ2 LYS 107 1HZ LYS 107 8.115 2.970 -15.140 816 HZ3 LYS 107 2HZ LYS 107 8.776 4.141 -14.115 817 H ASP 108 H ASP 108 1.099 1.533 -16.037 818 HA ASP 108 HA ASP 108 -0.418 -0.498 -14.539 819 HB2 ASP 108 2HB ASP 108 -1.753 1.258 -15.639 820 HB3 ASP 108 1HB ASP 108 -1.062 0.807 -17.197 821 H LEU 109 H LEU 109 -0.089 -2.592 -14.893 822 HA LEU 109 HA LEU 109 1.378 -3.424 -17.319 823 HG LEU 109 HG LEU 109 2.562 -2.812 -14.428 824 HB2 LEU 109 2HB LEU 109 1.160 -4.848 -14.661 825 HB3 LEU 109 1HB LEU 109 2.141 -5.352 -16.026 826 HD11 LEU 109 1HD1 LEU 109 4.113 -5.404 -14.399 827 HD12 LEU 109 2HD1 LEU 109 3.086 -4.787 -13.104 828 HD13 LEU 109 3HD1 LEU 109 4.557 -3.924 -13.549 829 HD21 LEU 109 3HD2 LEU 109 3.279 -2.583 -16.751 830 HD22 LEU 109 1HD2 LEU 109 4.227 -4.065 -16.620 831 HD23 LEU 109 2HD2 LEU 109 4.670 -2.646 -15.671 832 H THR 110 H THR 110 -1.661 -3.123 -16.736 833 HA THR 110 HA THR 110 -2.531 -5.920 -17.095 834 HB THR 110 HB THR 110 -4.750 -5.241 -16.463 835 HG1 THR 110 HG1 THR 110 -3.785 -2.546 -16.336 836 HG21 THR 110 3HG2 THR 110 -3.213 -5.617 -14.609 837 HG22 THR 110 1HG2 THR 110 -4.359 -4.339 -14.201 838 HG23 THR 110 2HG2 THR 110 -2.705 -3.928 -14.660 839 H LEU 111 H LEU 111 -2.806 -2.727 -18.598 840 HA LEU 111 HA LEU 111 -4.447 -3.548 -20.787 841 HG LEU 111 HG LEU 111 -4.719 -1.180 -18.956 842 HB2 LEU 111 2HB LEU 111 -2.664 -1.142 -20.378 843 HB3 LEU 111 1HB LEU 111 -3.679 -1.359 -21.791 844 HD11 LEU 111 1HD1 LEU 111 -4.658 0.911 -21.136 845 HD12 LEU 111 2HD1 LEU 111 -3.737 0.941 -19.632 846 HD13 LEU 111 3HD1 LEU 111 -5.495 1.063 -19.591 847 HD21 LEU 111 3HD2 LEU 111 -6.900 -0.912 -20.041 848 HD22 LEU 111 1HD2 LEU 111 -6.166 -2.463 -20.450 849 HD23 LEU 111 2HD2 LEU 111 -6.148 -1.142 -21.620 850 H GLU 112 H GLU 112 -1.047 -3.655 -20.167 851 HA GLU 112 HA GLU 112 -0.167 -3.649 -22.878 852 HB2 GLU 112 2HB GLU 112 1.267 -4.555 -20.376 853 HB3 GLU 112 1HB GLU 112 2.022 -4.255 -21.938 854 HG2 GLU 112 2HG GLU 112 0.569 -2.183 -20.294 855 HG3 GLU 112 1HG GLU 112 2.318 -2.403 -20.330 856 H HIS 113 H HIS 113 0.790 -5.372 -24.058 857 HA HIS 113 HA HIS 113 -0.967 -7.657 -24.001 858 HD1 HIS 113 HD1 HIS 113 1.846 -8.793 -27.382 859 HD2 HIS 113 HD2 HIS 113 -2.114 -9.043 -26.148 860 HE1 HIS 113 HE1 HIS 113 0.927 -10.850 -28.481 861 HE2 HIS 113 HE2 HIS 113 -1.414 -11.072 -27.593 862 HB2 HIS 113 2HB HIS 113 -0.476 -6.470 -26.093 863 HB3 HIS 113 1HB HIS 113 1.225 -6.893 -25.946 864 H HIS 114 H HIS 114 0.094 -8.331 -21.874 865 HA HIS 114 HA HIS 114 1.161 -9.939 -20.698 866 HD1 HIS 114 HD1 HIS 114 -0.122 -12.551 -20.407 867 HD2 HIS 114 HD2 HIS 114 -1.030 -11.175 -24.225 868 HE1 HIS 114 HE1 HIS 114 -2.537 -13.142 -20.782 869 HE2 HIS 114 HE2 HIS 114 -3.085 -12.216 -23.054 870 HB2 HIS 114 2HB HIS 114 1.614 -11.120 -23.443 871 HB3 HIS 114 1HB HIS 114 1.969 -11.959 -21.937 872 H HIS 115 H HIS 115 3.111 -10.382 -19.763 873 HA HIS 115 HA HIS 115 5.591 -9.737 -21.165 874 HD1 HIS 115 HD1 HIS 115 3.388 -6.394 -19.756 875 HD2 HIS 115 HD2 HIS 115 6.956 -7.208 -21.721 876 HE1 HIS 115 HE1 HIS 115 3.650 -4.572 -21.459 877 HE2 HIS 115 HE2 HIS 115 5.900 -4.983 -22.497 878 HB2 HIS 115 2HB HIS 115 4.644 -8.277 -18.700 879 HB3 HIS 115 1HB HIS 115 6.353 -8.391 -19.110 880 H HIS 116 H HIS 116 7.230 -11.020 -20.610 881 HA HIS 116 HA HIS 116 6.903 -13.279 -18.979 882 HD1 HIS 116 HD1 HIS 116 9.065 -11.111 -22.045 883 HD2 HIS 116 HD2 HIS 116 11.093 -11.496 -18.437 884 HE1 HIS 116 HE1 HIS 116 10.799 -9.304 -22.051 885 HE2 HIS 116 HE2 HIS 116 12.107 -9.651 -19.937 886 HB2 HIS 116 2HB HIS 116 9.358 -13.583 -19.286 887 HB3 HIS 116 1HB HIS 116 8.506 -13.267 -20.792 888 H HIS 117 H HIS 117 7.709 -13.834 -16.937 889 HA HIS 117 HA HIS 117 9.197 -11.928 -15.356 890 HD1 HIS 117 HD1 HIS 117 6.455 -13.885 -12.638 891 HD2 HIS 117 HD2 HIS 117 4.701 -12.447 -16.126 892 HE1 HIS 117 HE1 HIS 117 4.290 -15.134 -12.869 893 HE2 HIS 117 HE2 HIS 117 3.284 -14.310 -15.024 894 HB2 HIS 117 2HB HIS 117 7.535 -11.703 -13.566 895 HB3 HIS 117 1HB HIS 117 6.902 -11.072 -15.085 896 H HIS 118 H HIS 118 9.747 -12.779 -13.197 897 HA HIS 118 HA HIS 118 10.372 -15.536 -13.139 898 HD1 HIS 118 HD1 HIS 118 8.947 -14.126 -9.320 899 HD2 HIS 118 HD2 HIS 118 11.188 -11.331 -11.426 900 HE1 HIS 118 HE1 HIS 118 8.375 -11.904 -8.305 901 HE2 HIS 118 HE2 HIS 118 9.835 -10.249 -9.505 902 HB2 HIS 118 2HB HIS 118 10.972 -15.116 -10.737 903 HB3 HIS 118 1HB HIS 118 11.728 -14.006 -11.874 Start of MODEL 5 1 HA MET 1 HA MET 1 9.556 12.387 -9.030 2 H1 MET 1 1H MET 1 11.927 12.708 -8.799 3 H2 MET 1 2H MET 1 11.421 13.072 -10.373 4 H3 MET 1 3H MET 1 12.229 11.619 -10.056 5 HB2 MET 1 2HB MET 1 9.575 11.863 -11.439 6 HB3 MET 1 1HB MET 1 10.363 10.328 -11.101 7 HG2 MET 1 2HG MET 1 8.402 9.569 -9.874 8 HG3 MET 1 1HG MET 1 7.611 11.119 -10.159 9 HE1 MET 1 3HE MET 1 9.007 7.837 -11.827 10 HE2 MET 1 1HE MET 1 9.864 9.108 -12.700 11 HE3 MET 1 2HE MET 1 8.654 8.131 -13.529 12 H SER 2 H SER 2 10.035 11.833 -6.888 13 HA SER 2 HA SER 2 10.951 9.098 -6.329 14 HG SER 2 HG SER 2 12.973 10.974 -4.375 15 HB2 SER 2 2HB SER 2 10.527 11.442 -4.448 16 HB3 SER 2 1HB SER 2 11.173 9.869 -3.986 17 H GLY 3 H GLY 3 9.379 7.615 -6.273 18 HA2 GLY 3 2HA GLY 3 7.674 6.595 -4.905 19 HA3 GLY 3 1HA GLY 3 6.982 8.186 -4.641 20 H TRP 4 H TRP 4 6.254 5.393 -6.010 21 HA TRP 4 HA TRP 4 4.303 6.567 -7.769 22 HD1 TRP 4 HD1 TRP 4 5.499 2.765 -9.708 23 HE1 TRP 4 HE1 TRP 4 7.710 1.461 -9.546 24 HE3 TRP 4 HE3 TRP 4 8.589 6.572 -8.241 25 HZ2 TRP 4 HZ2 TRP 4 10.407 1.973 -8.883 26 HZ3 TRP 4 HZ3 TRP 4 10.969 6.079 -7.862 27 HH2 TRP 4 HH2 TRP 4 11.860 3.823 -8.178 28 HB2 TRP 4 2HB TRP 4 4.973 5.392 -9.813 29 HB3 TRP 4 1HB TRP 4 6.236 6.495 -9.284 30 H TYR 5 H TYR 5 2.789 4.977 -8.649 31 HA TYR 5 HA TYR 5 2.595 2.541 -6.989 32 HD1 TYR 5 HD2 TYR 5 0.116 2.610 -5.236 33 HD2 TYR 5 HD1 TYR 5 0.624 6.137 -7.573 34 HE1 TYR 5 HE2 TYR 5 -0.539 3.982 -3.304 35 HE2 TYR 5 HE1 TYR 5 -0.032 7.512 -5.644 36 HH TYR 5 HH TYR 5 -0.034 6.540 -2.600 37 HB2 TYR 5 2HB TYR 5 0.477 3.962 -8.633 38 HB3 TYR 5 1HB TYR 5 0.214 2.504 -7.689 39 H GLU 6 H GLU 6 2.342 0.517 -7.961 40 HA GLU 6 HA GLU 6 2.215 0.435 -10.911 41 HB2 GLU 6 2HB GLU 6 3.896 -1.387 -9.168 42 HB3 GLU 6 1HB GLU 6 3.694 -1.543 -10.908 43 HG2 GLU 6 2HG GLU 6 4.687 0.744 -11.142 44 HG3 GLU 6 1HG GLU 6 5.051 0.695 -9.419 45 H LEU 7 H LEU 7 0.286 -0.383 -11.426 46 HA LEU 7 HA LEU 7 -1.075 -2.223 -9.608 47 HG LEU 7 HG LEU 7 -3.247 -3.063 -11.534 48 HB2 LEU 7 2HB LEU 7 -2.341 -0.354 -10.547 49 HB3 LEU 7 1HB LEU 7 -2.000 -0.920 -12.173 50 HD11 LEU 7 1HD1 LEU 7 -3.212 -2.821 -9.132 51 HD12 LEU 7 2HD1 LEU 7 -4.877 -2.863 -9.710 52 HD13 LEU 7 3HD1 LEU 7 -4.147 -1.328 -9.238 53 HD21 LEU 7 3HD2 LEU 7 -4.775 -0.463 -11.650 54 HD22 LEU 7 1HD2 LEU 7 -5.446 -2.067 -11.961 55 HD23 LEU 7 2HD2 LEU 7 -4.203 -1.410 -13.026 56 H SER 8 H SER 8 -0.974 -4.369 -9.845 57 HA SER 8 HA SER 8 -0.528 -5.476 -12.553 58 HG SER 8 HG SER 8 -0.073 -6.075 -9.107 59 HB2 SER 8 2HB SER 8 0.588 -7.400 -11.522 60 HB3 SER 8 1HB SER 8 1.388 -5.907 -11.039 61 H LYS 9 H LYS 9 -1.657 -7.395 -13.121 62 HA LYS 9 HA LYS 9 -4.168 -7.737 -11.603 63 HB2 LYS 9 2HB LYS 9 -4.408 -6.969 -13.945 64 HB3 LYS 9 1HB LYS 9 -3.579 -8.421 -14.496 65 HG2 LYS 9 2HG LYS 9 -5.460 -9.702 -13.265 66 HG3 LYS 9 1HG LYS 9 -6.318 -8.160 -13.289 67 HD2 LYS 9 2HD LYS 9 -5.272 -9.659 -15.700 68 HD3 LYS 9 1HD LYS 9 -6.958 -9.567 -15.189 69 HE2 LYS 9 2HE LYS 9 -6.941 -7.148 -15.566 70 HE3 LYS 9 1HE LYS 9 -5.247 -7.229 -16.051 71 HZ1 LYS 9 3HZ LYS 9 -7.516 -8.555 -17.438 72 HZ2 LYS 9 1HZ LYS 9 -5.890 -8.658 -17.893 73 HZ3 LYS 9 2HZ LYS 9 -6.697 -7.174 -17.971 74 H SER 10 H SER 10 -4.750 -9.677 -10.800 75 HA SER 10 HA SER 10 -3.045 -12.012 -11.187 76 HG SER 10 HG SER 10 -4.173 -13.723 -8.757 77 HB2 SER 10 2HB SER 10 -3.900 -11.657 -8.936 78 HB3 SER 10 1HB SER 10 -5.558 -11.595 -9.533 79 H SER 11 H SER 11 -3.740 -13.961 -12.186 80 HA SER 11 HA SER 11 -5.309 -13.692 -14.494 81 HG SER 11 HG SER 11 -3.369 -15.391 -15.410 82 HB2 SER 11 2HB SER 11 -4.544 -16.224 -13.017 83 HB3 SER 11 1HB SER 11 -5.211 -16.176 -14.649 84 H ASN 12 H ASN 12 -6.370 -14.018 -11.298 85 HA ASN 12 HA ASN 12 -8.941 -15.204 -11.901 86 HB2 ASN 12 2HB ASN 12 -7.999 -13.759 -9.409 87 HB3 ASN 12 1HB ASN 12 -9.460 -14.736 -9.549 88 HD21 ASN 12 1HD2 ASN 12 -6.021 -14.764 -9.266 89 HD22 ASN 12 2HD2 ASN 12 -5.851 -16.461 -8.995 90 H ASP 13 H ASP 13 -7.820 -12.422 -12.930 91 HA ASP 13 HA ASP 13 -8.692 -10.476 -13.685 92 HB2 ASP 13 2HB ASP 13 -11.307 -11.721 -12.817 93 HB3 ASP 13 1HB ASP 13 -11.195 -10.169 -13.642 94 H GLN 14 H GLN 14 -8.066 -11.046 -10.706 95 HA GLN 14 HA GLN 14 -9.326 -8.629 -9.589 96 HB2 GLN 14 2HB GLN 14 -7.954 -10.935 -8.190 97 HB3 GLN 14 1HB GLN 14 -8.575 -9.501 -7.378 98 HG2 GLN 14 2HG GLN 14 -10.839 -10.047 -8.193 99 HG3 GLN 14 1HG GLN 14 -10.193 -11.513 -8.936 100 HE21 GLN 14 1HE2 GLN 14 -10.951 -9.929 -5.923 101 HE22 GLN 14 2HE2 GLN 14 -10.898 -11.353 -4.950 102 H PHE 15 H PHE 15 -8.125 -6.915 -8.934 103 HA PHE 15 HA PHE 15 -5.363 -6.886 -9.941 104 HD1 PHE 15 HD2 PHE 15 -9.040 -5.895 -10.573 105 HD2 PHE 15 HD1 PHE 15 -5.392 -4.696 -12.421 106 HE1 PHE 15 HE2 PHE 15 -10.055 -6.211 -12.786 107 HE2 PHE 15 HE1 PHE 15 -6.412 -5.011 -14.635 108 HZ PHE 15 HZ PHE 15 -8.744 -5.769 -14.815 109 HB2 PHE 15 2HB PHE 15 -7.242 -4.584 -9.355 110 HB3 PHE 15 1HB PHE 15 -5.650 -4.454 -10.099 111 H LYS 16 H LYS 16 -3.647 -6.159 -8.755 112 HA LYS 16 HA LYS 16 -4.093 -4.959 -6.135 113 HB2 LYS 16 2HB LYS 16 -2.553 -6.403 -4.969 114 HB3 LYS 16 1HB LYS 16 -3.793 -7.397 -5.712 115 HG2 LYS 16 2HG LYS 16 -1.060 -6.973 -6.910 116 HG3 LYS 16 1HG LYS 16 -1.454 -8.303 -5.824 117 HD2 LYS 16 2HD LYS 16 -3.156 -9.087 -7.417 118 HD3 LYS 16 1HD LYS 16 -2.757 -7.750 -8.498 119 HE2 LYS 16 2HE LYS 16 -1.673 -9.839 -9.203 120 HE3 LYS 16 1HE LYS 16 -0.490 -8.611 -8.758 121 HZ1 LYS 16 3HZ LYS 16 -1.348 -10.920 -7.107 122 HZ2 LYS 16 1HZ LYS 16 -0.306 -9.700 -6.574 123 HZ3 LYS 16 2HZ LYS 16 0.157 -10.709 -7.846 124 H PHE 17 H PHE 17 -2.735 -3.285 -5.774 125 HA PHE 17 HA PHE 17 -0.527 -2.917 -7.694 126 HD1 PHE 17 HD1 PHE 17 -0.783 0.328 -4.992 127 HD2 PHE 17 HD2 PHE 17 -4.290 -1.310 -6.777 128 HE1 PHE 17 HE1 PHE 17 -2.154 1.329 -3.211 129 HE2 PHE 17 HE2 PHE 17 -5.664 -0.314 -4.995 130 HZ PHE 17 HZ PHE 17 -4.596 1.009 -3.210 131 HB2 PHE 17 2HB PHE 17 -0.787 -0.479 -7.309 132 HB3 PHE 17 1HB PHE 17 -2.221 -1.222 -7.999 133 H VAL 18 H VAL 18 1.401 -1.888 -6.990 134 HA VAL 18 HA VAL 18 1.918 -2.115 -4.087 135 HB VAL 18 HB VAL 18 4.259 -2.675 -4.614 136 HG11 VAL 18 1HG1 VAL 18 3.892 -4.964 -5.415 137 HG12 VAL 18 2HG1 VAL 18 2.270 -4.520 -5.946 138 HG13 VAL 18 3HG1 VAL 18 2.674 -4.489 -4.230 139 HG21 VAL 18 3HG2 VAL 18 4.913 -3.291 -6.915 140 HG22 VAL 18 1HG2 VAL 18 4.479 -1.586 -6.784 141 HG23 VAL 18 2HG2 VAL 18 3.346 -2.731 -7.501 142 H LEU 19 H LEU 19 2.968 -0.459 -3.095 143 HA LEU 19 HA LEU 19 3.462 1.960 -4.696 144 HG LEU 19 HG LEU 19 4.475 3.551 -2.060 145 HB2 LEU 19 2HB LEU 19 1.874 2.231 -2.880 146 HB3 LEU 19 1HB LEU 19 3.031 1.591 -1.729 147 HD11 LEU 19 1HD1 LEU 19 3.663 5.491 -3.336 148 HD12 LEU 19 2HD1 LEU 19 2.301 4.531 -3.916 149 HD13 LEU 19 3HD1 LEU 19 3.948 4.090 -4.366 150 HD21 LEU 19 3HD2 LEU 19 2.784 3.592 -0.298 151 HD22 LEU 19 1HD2 LEU 19 1.611 4.275 -1.425 152 HD23 LEU 19 2HD2 LEU 19 3.044 5.203 -0.970 153 H LYS 20 H LYS 20 5.492 2.404 -5.206 154 HA LYS 20 HA LYS 20 7.669 1.403 -3.475 155 HB2 LYS 20 2HB LYS 20 7.646 1.999 -6.441 156 HB3 LYS 20 1HB LYS 20 9.097 1.601 -5.529 157 HG2 LYS 20 2HG LYS 20 8.152 -0.587 -4.968 158 HG3 LYS 20 1HG LYS 20 6.692 -0.190 -5.880 159 HD2 LYS 20 2HD LYS 20 7.974 -0.033 -7.934 160 HD3 LYS 20 1HD LYS 20 9.478 -0.293 -7.049 161 HE2 LYS 20 2HE LYS 20 8.759 -2.543 -6.449 162 HE3 LYS 20 1HE LYS 20 7.213 -2.287 -7.260 163 HZ1 LYS 20 3HZ LYS 20 8.773 -3.536 -8.634 164 HZ2 LYS 20 1HZ LYS 20 9.871 -2.251 -8.586 165 HZ3 LYS 20 2HZ LYS 20 8.374 -2.059 -9.354 166 H ALA 21 H ALA 21 9.084 2.799 -2.611 167 HA ALA 21 HA ALA 21 8.673 5.631 -2.855 168 HB1 ALA 21 3HB ALA 21 10.859 4.090 -1.447 169 HB2 ALA 21 1HB ALA 21 9.327 4.605 -0.736 170 HB3 ALA 21 2HB ALA 21 10.511 5.809 -1.248 171 H GLY 22 H GLY 22 10.990 6.920 -2.963 172 HA2 GLY 22 2HA GLY 22 11.671 7.044 -5.666 173 HA3 GLY 22 1HA GLY 22 12.626 7.731 -4.364 174 H ASN 23 H ASN 23 13.057 5.048 -3.157 175 HA ASN 23 HA ASN 23 15.367 4.249 -4.714 176 HB2 ASN 23 2HB ASN 23 15.391 4.420 -2.231 177 HB3 ASN 23 1HB ASN 23 14.228 3.103 -2.146 178 HD21 ASN 23 1HD2 ASN 23 15.560 1.773 -0.988 179 HD22 ASN 23 2HD2 ASN 23 16.969 1.030 -1.657 180 H GLY 24 H GLY 24 12.305 3.580 -5.383 181 HA2 GLY 24 2HA GLY 24 11.151 1.820 -6.347 182 HA3 GLY 24 1HA GLY 24 12.700 1.010 -6.549 183 H GLU 25 H GLU 25 11.827 2.066 -3.430 184 HA GLU 25 HA GLU 25 12.031 -0.586 -2.346 185 HB2 GLU 25 2HB GLU 25 13.093 1.301 -1.244 186 HB3 GLU 25 1HB GLU 25 11.555 2.129 -1.098 187 HG2 GLU 25 2HG GLU 25 10.781 0.356 0.444 188 HG3 GLU 25 1HG GLU 25 12.379 -0.391 0.337 189 H VAL 26 H VAL 26 10.320 -1.937 -2.324 190 HA VAL 26 HA VAL 26 7.604 -1.068 -2.510 191 HB VAL 26 HB VAL 26 8.614 -3.815 -1.728 192 HG11 VAL 26 1HG1 VAL 26 6.246 -3.461 -1.202 193 HG12 VAL 26 2HG1 VAL 26 6.435 -4.609 -2.526 194 HG13 VAL 26 3HG1 VAL 26 5.946 -2.949 -2.864 195 HG21 VAL 26 3HG2 VAL 26 9.565 -3.119 -3.872 196 HG22 VAL 26 1HG2 VAL 26 7.952 -2.730 -4.471 197 HG23 VAL 26 2HG2 VAL 26 8.375 -4.401 -4.098 198 H ILE 27 H ILE 27 6.664 -0.024 -0.878 199 HA ILE 27 HA ILE 27 7.221 -0.866 1.892 200 HB ILE 27 HB ILE 27 6.200 1.374 2.498 201 HG12 ILE 27 2HG1 ILE 27 6.459 1.778 -0.499 202 HG13 ILE 27 1HG1 ILE 27 4.978 1.853 0.450 203 HG21 ILE 27 1HG2 ILE 27 8.602 0.985 2.537 204 HG22 ILE 27 2HG2 ILE 27 8.258 2.615 1.957 205 HG23 ILE 27 3HG2 ILE 27 8.711 1.350 0.814 206 HD11 ILE 27 3HD1 ILE 27 7.289 3.775 0.585 207 HD12 ILE 27 1HD1 ILE 27 5.848 3.842 1.601 208 HD13 ILE 27 2HD1 ILE 27 5.710 4.068 -0.143 209 H LEU 28 H LEU 28 4.500 -0.073 -0.275 210 HA LEU 28 HA LEU 28 2.719 -1.544 1.576 211 HG LEU 28 HG LEU 28 0.990 1.662 2.195 212 HB2 LEU 28 2HB LEU 28 2.270 1.067 0.164 213 HB3 LEU 28 1HB LEU 28 0.899 0.019 0.465 214 HD11 LEU 28 1HD1 LEU 28 0.323 -0.569 2.898 215 HD12 LEU 28 2HD1 LEU 28 1.152 0.286 4.197 216 HD13 LEU 28 3HD1 LEU 28 2.000 -0.964 3.284 217 HD21 LEU 28 3HD2 LEU 28 3.820 0.780 2.757 218 HD22 LEU 28 1HD2 LEU 28 2.898 1.985 3.657 219 HD23 LEU 28 2HD2 LEU 28 3.345 2.290 1.979 220 H THR 29 H THR 29 1.194 -2.907 0.687 221 HA THR 29 HA THR 29 0.900 -3.011 -2.240 222 HB THR 29 HB THR 29 1.345 -5.485 -0.532 223 HG1 THR 29 HG1 THR 29 3.097 -3.857 -1.851 224 HG21 THR 29 3HG2 THR 29 -0.189 -5.891 -2.395 225 HG22 THR 29 1HG2 THR 29 1.360 -6.683 -2.681 226 HG23 THR 29 2HG2 THR 29 0.971 -5.182 -3.520 227 H SER 30 H SER 30 -1.207 -3.408 -2.895 228 HA SER 30 HA SER 30 -3.217 -3.295 -0.795 229 HG SER 30 HG SER 30 -4.402 -4.066 -4.246 230 HB2 SER 30 2HB SER 30 -4.804 -2.814 -2.542 231 HB3 SER 30 1HB SER 30 -3.351 -1.870 -2.858 232 H GLU 31 H GLU 31 -5.291 -4.579 -1.159 233 HA GLU 31 HA GLU 31 -4.677 -7.405 -1.455 234 HB2 GLU 31 2HB GLU 31 -7.015 -7.757 -0.732 235 HB3 GLU 31 1HB GLU 31 -6.116 -6.739 0.386 236 HG2 GLU 31 2HG GLU 31 -7.199 -4.761 -0.468 237 HG3 GLU 31 1HG GLU 31 -8.006 -5.702 -1.724 238 H LEU 32 H LEU 32 -6.861 -8.556 -2.533 239 HA LEU 32 HA LEU 32 -6.528 -7.915 -5.342 240 HG LEU 32 HG LEU 32 -5.581 -10.416 -3.807 241 HB2 LEU 32 2HB LEU 32 -8.026 -10.136 -3.950 242 HB3 LEU 32 1HB LEU 32 -7.907 -9.976 -5.692 243 HD11 LEU 32 1HD1 LEU 32 -6.896 -12.288 -5.775 244 HD12 LEU 32 2HD1 LEU 32 -6.989 -12.396 -4.018 245 HD13 LEU 32 3HD1 LEU 32 -5.446 -12.632 -4.834 246 HD21 LEU 32 3HD2 LEU 32 -4.263 -10.727 -5.866 247 HD22 LEU 32 1HD2 LEU 32 -4.909 -9.092 -5.736 248 HD23 LEU 32 2HD2 LEU 32 -5.664 -10.254 -6.827 249 H TYR 33 H TYR 33 -7.657 -6.059 -5.804 250 HA TYR 33 HA TYR 33 -10.412 -5.662 -5.137 251 HD1 TYR 33 HD2 TYR 33 -6.917 -3.960 -5.383 252 HD2 TYR 33 HD1 TYR 33 -10.923 -2.551 -5.029 253 HE1 TYR 33 HE2 TYR 33 -6.226 -2.442 -3.581 254 HE2 TYR 33 HE1 TYR 33 -10.232 -1.031 -3.226 255 HH TYR 33 HH TYR 33 -8.413 -0.872 -1.551 256 HB2 TYR 33 2HB TYR 33 -8.597 -4.345 -7.169 257 HB3 TYR 33 1HB TYR 33 -10.272 -3.861 -6.931 258 H THR 34 H THR 34 -12.238 -6.189 -6.259 259 HA THR 34 HA THR 34 -11.997 -8.153 -8.377 260 HB THR 34 HB THR 34 -14.484 -8.279 -8.242 261 HG1 THR 34 HG1 THR 34 -15.598 -6.979 -6.882 262 HG21 THR 34 3HG2 THR 34 -14.573 -9.261 -6.002 263 HG22 THR 34 1HG2 THR 34 -13.069 -8.444 -5.573 264 HG23 THR 34 2HG2 THR 34 -13.070 -9.697 -6.813 265 H GLY 35 H GLY 35 -11.733 -4.951 -8.541 266 HA2 GLY 35 2HA GLY 35 -12.563 -4.890 -11.329 267 HA3 GLY 35 1HA GLY 35 -13.386 -3.751 -10.274 268 H LYS 36 H LYS 36 -11.408 -3.438 -12.579 269 HA LYS 36 HA LYS 36 -8.966 -2.484 -11.464 270 HB2 LYS 36 2HB LYS 36 -9.225 -3.256 -13.825 271 HB3 LYS 36 1HB LYS 36 -10.136 -1.790 -14.169 272 HG2 LYS 36 2HG LYS 36 -8.214 -0.416 -13.691 273 HG3 LYS 36 1HG LYS 36 -7.294 -1.822 -13.152 274 HD2 LYS 36 2HD LYS 36 -7.441 -2.764 -15.434 275 HD3 LYS 36 1HD LYS 36 -8.305 -1.317 -15.960 276 HE2 LYS 36 2HE LYS 36 -6.356 0.055 -15.394 277 HE3 LYS 36 1HE LYS 36 -5.497 -1.381 -14.841 278 HZ1 LYS 36 3HZ LYS 36 -6.458 -0.932 -17.614 279 HZ2 LYS 36 1HZ LYS 36 -5.560 -2.260 -17.075 280 HZ3 LYS 36 2HZ LYS 36 -4.863 -0.722 -17.091 281 H SER 37 H SER 37 -11.933 -0.833 -12.538 282 HA SER 37 HA SER 37 -11.169 1.814 -12.028 283 HG SER 37 HG SER 37 -14.707 2.362 -11.278 284 HB2 SER 37 2HB SER 37 -13.263 1.367 -13.152 285 HB3 SER 37 1HB SER 37 -13.883 0.489 -11.757 286 H GLY 38 H GLY 38 -12.589 -0.602 -9.833 287 HA2 GLY 38 2HA GLY 38 -12.620 0.964 -7.490 288 HA3 GLY 38 1HA GLY 38 -12.530 -0.789 -7.541 289 H ALA 39 H ALA 39 -10.050 -1.102 -8.834 290 HA ALA 39 HA ALA 39 -8.195 -0.764 -6.731 291 HB1 ALA 39 3HB ALA 39 -7.668 -1.316 -9.655 292 HB2 ALA 39 1HB ALA 39 -7.962 -2.525 -8.405 293 HB3 ALA 39 2HB ALA 39 -6.508 -1.527 -8.343 294 H MET 40 H MET 40 -8.702 1.083 -9.729 295 HA MET 40 HA MET 40 -6.595 2.916 -9.436 296 HB2 MET 40 2HB MET 40 -9.321 3.347 -10.687 297 HB3 MET 40 1HB MET 40 -7.936 4.405 -10.901 298 HG2 MET 40 2HG MET 40 -7.806 1.512 -11.678 299 HG3 MET 40 1HG MET 40 -8.513 2.717 -12.748 300 HE1 MET 40 3HE MET 40 -5.254 2.690 -10.375 301 HE2 MET 40 1HE MET 40 -4.047 2.383 -11.620 302 HE3 MET 40 2HE MET 40 -5.286 1.174 -11.274 303 H ASN 41 H ASN 41 -10.021 3.232 -8.482 304 HA ASN 41 HA ASN 41 -9.841 5.680 -7.143 305 HB2 ASN 41 2HB ASN 41 -11.954 4.476 -7.774 306 HB3 ASN 41 1HB ASN 41 -11.674 3.372 -6.431 307 HD21 ASN 41 1HD2 ASN 41 -13.526 3.955 -5.347 308 HD22 ASN 41 2HD2 ASN 41 -13.741 5.501 -4.610 309 H GLY 42 H GLY 42 -9.231 2.388 -6.000 310 HA2 GLY 42 2HA GLY 42 -8.778 2.887 -3.284 311 HA3 GLY 42 1HA GLY 42 -8.016 1.609 -4.219 312 H ILE 43 H ILE 43 -6.597 3.230 -6.060 313 HA ILE 43 HA ILE 43 -4.270 3.875 -4.584 314 HB ILE 43 HB ILE 43 -5.060 4.583 -7.417 315 HG12 ILE 43 2HG1 ILE 43 -3.208 2.475 -6.266 316 HG13 ILE 43 1HG1 ILE 43 -4.763 2.194 -7.040 317 HG21 ILE 43 1HG2 ILE 43 -3.471 6.243 -6.661 318 HG22 ILE 43 2HG2 ILE 43 -2.679 5.141 -7.787 319 HG23 ILE 43 3HG2 ILE 43 -2.396 4.984 -6.053 320 HD11 ILE 43 3HD1 ILE 43 -2.978 1.630 -8.542 321 HD12 ILE 43 1HD1 ILE 43 -2.265 3.234 -8.359 322 HD13 ILE 43 2HD1 ILE 43 -3.831 3.048 -9.151 323 H GLU 44 H GLU 44 -6.763 5.921 -6.083 324 HA GLU 44 HA GLU 44 -5.719 8.413 -5.309 325 HB2 GLU 44 2HB GLU 44 -8.589 7.573 -5.806 326 HB3 GLU 44 1HB GLU 44 -8.058 9.244 -5.638 327 HG2 GLU 44 2HG GLU 44 -6.646 9.024 -7.599 328 HG3 GLU 44 1HG GLU 44 -7.078 7.324 -7.749 329 H SER 45 H SER 45 -7.755 6.110 -3.569 330 HA SER 45 HA SER 45 -8.239 7.662 -1.260 331 HG SER 45 HG SER 45 -9.482 5.576 0.508 332 HB2 SER 45 2HB SER 45 -9.421 5.553 -1.593 333 HB3 SER 45 1HB SER 45 -7.904 4.654 -1.520 334 H VAL 46 H VAL 46 -5.610 5.331 -1.962 335 HA VAL 46 HA VAL 46 -4.115 5.685 0.368 336 HB VAL 46 HB VAL 46 -3.048 5.128 -2.414 337 HG11 VAL 46 1HG1 VAL 46 -1.266 5.832 -0.906 338 HG12 VAL 46 2HG1 VAL 46 -1.123 4.112 -1.263 339 HG13 VAL 46 3HG1 VAL 46 -1.776 4.638 0.288 340 HG21 VAL 46 3HG2 VAL 46 -3.901 3.220 -0.226 341 HG22 VAL 46 1HG2 VAL 46 -3.133 2.757 -1.745 342 HG23 VAL 46 2HG2 VAL 46 -4.733 3.497 -1.756 343 H GLN 47 H GLN 47 -3.933 7.500 -2.694 344 HA GLN 47 HA GLN 47 -1.909 9.302 -2.034 345 HB2 GLN 47 2HB GLN 47 -4.382 9.767 -3.721 346 HB3 GLN 47 1HB GLN 47 -2.975 10.822 -3.693 347 HG2 GLN 47 2HG GLN 47 -1.590 9.067 -4.614 348 HG3 GLN 47 1HG GLN 47 -2.930 7.925 -4.535 349 HE21 GLN 47 1HE2 GLN 47 -1.355 8.809 -6.829 350 HE22 GLN 47 2HE2 GLN 47 -2.495 9.452 -7.958 351 H THR 48 H THR 48 -5.340 9.344 -1.196 352 HA THR 48 HA THR 48 -5.260 11.936 0.078 353 HB THR 48 HB THR 48 -7.348 9.750 0.356 354 HG1 THR 48 HG1 THR 48 -7.057 10.535 -1.830 355 HG21 THR 48 3HG2 THR 48 -7.517 12.716 0.939 356 HG22 THR 48 1HG2 THR 48 -7.477 11.429 2.143 357 HG23 THR 48 2HG2 THR 48 -8.850 11.565 1.044 358 H ASN 49 H ASN 49 -4.822 8.615 1.089 359 HA ASN 49 HA ASN 49 -5.036 9.143 3.914 360 HB2 ASN 49 2HB ASN 49 -4.066 6.697 2.416 361 HB3 ASN 49 1HB ASN 49 -4.344 6.769 4.155 362 HD21 ASN 49 1HD2 ASN 49 -5.618 5.157 2.031 363 HD22 ASN 49 2HD2 ASN 49 -7.306 5.474 2.161 364 H SER 50 H SER 50 -2.427 8.988 1.595 365 HA SER 50 HA SER 50 -0.227 8.509 3.215 366 HG SER 50 HG SER 50 1.894 9.145 1.957 367 HB2 SER 50 2HB SER 50 0.006 8.554 0.815 368 HB3 SER 50 1HB SER 50 -0.430 10.261 0.756 369 HA PRO 51 HA PRO 51 0.164 13.187 4.306 370 HB2 PRO 51 2HB PRO 51 -1.853 14.885 3.780 371 HB3 PRO 51 1HB PRO 51 -0.634 14.479 2.564 372 HG2 PRO 51 2HG PRO 51 -3.404 13.373 2.910 373 HG3 PRO 51 1HG PRO 51 -2.596 13.913 1.425 374 HD2 PRO 51 2HD PRO 51 -2.767 11.292 2.153 375 HD3 PRO 51 1HD PRO 51 -1.420 11.943 1.203 376 H ILE 52 H ILE 52 -2.238 11.052 5.086 377 HA ILE 52 HA ILE 52 -2.933 12.517 7.564 378 HB ILE 52 HB ILE 52 -4.650 10.449 6.163 379 HG12 ILE 52 2HG1 ILE 52 -5.053 13.449 6.388 380 HG13 ILE 52 1HG1 ILE 52 -4.562 12.598 4.927 381 HG21 ILE 52 1HG2 ILE 52 -5.221 12.162 8.591 382 HG22 ILE 52 2HG2 ILE 52 -4.926 10.423 8.589 383 HG23 ILE 52 3HG2 ILE 52 -6.366 11.071 7.807 384 HD11 ILE 52 3HD1 ILE 52 -7.189 12.279 6.365 385 HD12 ILE 52 1HD1 ILE 52 -6.697 11.405 4.912 386 HD13 ILE 52 2HD1 ILE 52 -6.913 13.155 4.860 387 H GLU 53 H GLU 53 -1.284 11.655 8.821 388 HA GLU 53 HA GLU 53 -0.342 9.047 8.854 389 HB2 GLU 53 2HB GLU 53 -0.492 11.002 11.160 390 HB3 GLU 53 1HB GLU 53 0.458 9.524 11.172 391 HG2 GLU 53 2HG GLU 53 2.011 11.179 10.665 392 HG3 GLU 53 1HG GLU 53 1.631 10.474 9.097 393 H ALA 54 H ALA 54 -3.196 10.334 10.441 394 HA ALA 54 HA ALA 54 -3.648 8.312 12.335 395 HB1 ALA 54 3HB ALA 54 -5.960 9.130 12.384 396 HB2 ALA 54 1HB ALA 54 -5.655 10.063 10.919 397 HB3 ALA 54 2HB ALA 54 -4.792 10.452 12.408 398 H ARG 55 H ARG 55 -3.572 7.833 9.042 399 HA ARG 55 HA ARG 55 -5.802 5.973 8.890 400 HE ARG 55 HE ARG 55 -8.010 8.493 5.562 401 HB2 ARG 55 2HB ARG 55 -3.733 6.824 6.861 402 HB3 ARG 55 1HB ARG 55 -4.981 5.630 6.532 403 HG2 ARG 55 2HG ARG 55 -5.460 8.509 7.299 404 HG3 ARG 55 1HG ARG 55 -5.594 7.831 5.676 405 HD2 ARG 55 2HD ARG 55 -7.360 6.289 6.538 406 HD3 ARG 55 1HD ARG 55 -7.284 7.140 8.082 407 HH11 ARG 55 1HH1 ARG 55 -8.561 7.845 8.894 408 HH12 ARG 55 2HH1 ARG 55 -9.923 8.899 8.996 409 HH21 ARG 55 1HH2 ARG 55 -9.737 9.855 5.688 410 HH22 ARG 55 2HH2 ARG 55 -10.573 10.055 7.194 411 H TYR 56 H TYR 56 -2.314 5.751 9.386 412 HA TYR 56 HA TYR 56 -2.144 3.053 8.417 413 HD1 TYR 56 HD1 TYR 56 -0.219 3.288 11.910 414 HD2 TYR 56 HD2 TYR 56 0.655 6.462 9.206 415 HE1 TYR 56 HE1 TYR 56 0.700 4.611 13.766 416 HE2 TYR 56 HE2 TYR 56 1.565 7.791 11.060 417 HH TYR 56 HH TYR 56 2.226 6.457 14.138 418 HB2 TYR 56 2HB TYR 56 0.145 3.012 9.259 419 HB3 TYR 56 1HB TYR 56 -0.165 4.477 8.345 420 H ALA 57 H ALA 57 -1.341 1.237 9.761 421 HA ALA 57 HA ALA 57 -2.310 1.237 12.533 422 HB1 ALA 57 3HB ALA 57 -3.117 -0.855 10.504 423 HB2 ALA 57 1HB ALA 57 -4.158 0.462 11.056 424 HB3 ALA 57 2HB ALA 57 -3.611 -0.776 12.194 425 H LYS 58 H LYS 58 -0.532 0.642 13.692 426 HA LYS 58 HA LYS 58 1.559 -0.923 12.356 427 HB2 LYS 58 2HB LYS 58 1.672 0.497 15.027 428 HB3 LYS 58 1HB LYS 58 3.032 -0.183 14.142 429 HG2 LYS 58 2HG LYS 58 2.490 1.445 12.289 430 HG3 LYS 58 1HG LYS 58 1.363 2.213 13.407 431 HD2 LYS 58 2HD LYS 58 4.340 1.872 13.822 432 HD3 LYS 58 1HD LYS 58 3.513 3.371 13.397 433 HE2 LYS 58 2HE LYS 58 2.300 3.295 15.530 434 HE3 LYS 58 1HE LYS 58 3.139 1.802 15.952 435 HZ1 LYS 58 3HZ LYS 58 4.338 4.490 15.581 436 HZ2 LYS 58 1HZ LYS 58 5.254 3.075 15.744 437 HZ3 LYS 58 2HZ LYS 58 4.255 3.594 17.009 438 H GLU 59 H GLU 59 2.116 -2.973 12.880 439 HA GLU 59 HA GLU 59 1.693 -4.016 15.540 440 HB2 GLU 59 2HB GLU 59 -0.504 -4.440 14.510 441 HB3 GLU 59 1HB GLU 59 0.272 -5.301 13.189 442 HG2 GLU 59 2HG GLU 59 -0.685 -6.864 14.757 443 HG3 GLU 59 1HG GLU 59 1.073 -6.998 14.773 444 H VAL 60 H VAL 60 2.885 -5.915 15.973 445 HA VAL 60 HA VAL 60 4.770 -6.762 13.852 446 HB VAL 60 HB VAL 60 5.284 -6.743 16.841 447 HG11 VAL 60 1HG1 VAL 60 6.476 -8.539 15.700 448 HG12 VAL 60 2HG1 VAL 60 7.604 -7.284 16.211 449 HG13 VAL 60 3HG1 VAL 60 7.113 -7.390 14.521 450 HG21 VAL 60 3HG2 VAL 60 6.878 -4.929 16.379 451 HG22 VAL 60 1HG2 VAL 60 5.226 -4.467 15.961 452 HG23 VAL 60 2HG2 VAL 60 6.367 -4.912 14.691 453 H ALA 61 H ALA 61 4.330 -8.767 13.169 454 HA ALA 61 HA ALA 61 2.466 -10.501 14.295 455 HB1 ALA 61 3HB ALA 61 3.182 -10.582 11.955 456 HB2 ALA 61 1HB ALA 61 3.294 -12.169 12.719 457 HB3 ALA 61 2HB ALA 61 4.752 -11.212 12.453 458 H LYS 62 H LYS 62 2.711 -12.623 15.250 459 HA LYS 62 HA LYS 62 4.388 -12.630 17.516 460 HB2 LYS 62 2HB LYS 62 2.183 -13.772 17.359 461 HB3 LYS 62 1HB LYS 62 2.907 -14.974 16.303 462 HG2 LYS 62 2HG LYS 62 2.651 -15.727 18.648 463 HG3 LYS 62 1HG LYS 62 4.316 -15.778 18.070 464 HD2 LYS 62 2HD LYS 62 4.089 -14.900 20.390 465 HD3 LYS 62 1HD LYS 62 4.861 -13.766 19.281 466 HE2 LYS 62 2HE LYS 62 3.267 -12.635 20.746 467 HE3 LYS 62 1HE LYS 62 2.759 -12.536 19.063 468 HZ1 LYS 62 3HZ LYS 62 0.928 -13.032 20.585 469 HZ2 LYS 62 1HZ LYS 62 1.688 -14.471 21.050 470 HZ3 LYS 62 2HZ LYS 62 1.155 -14.268 19.457 471 H ASN 63 H ASN 63 4.866 -13.907 14.305 472 HA ASN 63 HA ASN 63 7.226 -15.422 14.995 473 HB2 ASN 63 2HB ASN 63 5.785 -15.896 12.993 474 HB3 ASN 63 1HB ASN 63 6.358 -14.393 12.276 475 HD21 ASN 63 1HD2 ASN 63 7.239 -15.519 10.523 476 HD22 ASN 63 2HD2 ASN 63 8.691 -16.436 10.673 477 H ASP 64 H ASP 64 6.813 -12.366 15.493 478 HA ASP 64 HA ASP 64 8.057 -10.505 15.686 479 HB2 ASP 64 2HB ASP 64 10.312 -12.452 15.171 480 HB3 ASP 64 1HB ASP 64 10.563 -10.765 15.620 481 H LYS 65 H LYS 65 6.791 -10.850 13.283 482 HA LYS 65 HA LYS 65 8.625 -9.623 11.332 483 HB2 LYS 65 2HB LYS 65 5.814 -10.663 10.899 484 HB3 LYS 65 1HB LYS 65 6.909 -10.073 9.656 485 HG2 LYS 65 2HG LYS 65 8.426 -11.938 10.091 486 HG3 LYS 65 1HG LYS 65 7.348 -12.526 11.358 487 HD2 LYS 65 2HD LYS 65 6.670 -12.264 8.422 488 HD3 LYS 65 1HD LYS 65 7.020 -13.769 9.272 489 HE2 LYS 65 2HE LYS 65 5.050 -13.407 10.703 490 HE3 LYS 65 1HE LYS 65 4.701 -11.914 9.834 491 HZ1 LYS 65 3HZ LYS 65 3.340 -13.701 9.004 492 HZ2 LYS 65 1HZ LYS 65 4.699 -14.656 8.682 493 HZ3 LYS 65 2HZ LYS 65 4.433 -13.235 7.803 494 HA PRO 66 HA PRO 66 6.414 -5.877 12.773 495 HB2 PRO 66 2HB PRO 66 8.319 -4.114 11.968 496 HB3 PRO 66 1HB PRO 66 8.433 -5.018 13.483 497 HG2 PRO 66 2HG PRO 66 9.740 -5.574 10.843 498 HG3 PRO 66 1HG PRO 66 10.436 -5.648 12.474 499 HD2 PRO 66 2HD PRO 66 9.607 -7.861 11.127 500 HD3 PRO 66 1HD PRO 66 9.540 -7.733 12.897 501 H TYR 67 H TYR 67 4.781 -5.177 11.523 502 HA TYR 67 HA TYR 67 5.364 -4.032 8.905 503 HD1 TYR 67 HD2 TYR 67 4.151 -7.550 10.643 504 HD2 TYR 67 HD1 TYR 67 1.346 -5.500 8.181 505 HE1 TYR 67 HE2 TYR 67 2.315 -8.779 11.723 506 HE2 TYR 67 HE1 TYR 67 -0.495 -6.727 9.249 507 HH TYR 67 HH TYR 67 -0.783 -8.921 10.457 508 HB2 TYR 67 2HB TYR 67 3.640 -5.275 7.735 509 HB3 TYR 67 1HB TYR 67 4.796 -6.398 8.432 510 H PHE 68 H PHE 68 3.019 -3.267 7.980 511 HA PHE 68 HA PHE 68 1.231 -2.388 10.071 512 HD1 PHE 68 HD2 PHE 68 4.829 -1.103 8.604 513 HD2 PHE 68 HD1 PHE 68 1.344 1.066 7.457 514 HE1 PHE 68 HE2 PHE 68 6.048 -0.170 6.680 515 HE2 PHE 68 HE1 PHE 68 2.558 1.998 5.531 516 HZ PHE 68 HZ PHE 68 4.912 1.384 5.141 517 HB2 PHE 68 2HB PHE 68 1.431 0.015 9.574 518 HB3 PHE 68 1HB PHE 68 2.934 -0.648 10.201 519 H ASN 69 H ASN 69 -0.773 -1.702 9.337 520 HA ASN 69 HA ASN 69 -1.314 -2.221 6.481 521 HB2 ASN 69 2HB ASN 69 -3.188 -2.343 8.861 522 HB3 ASN 69 1HB ASN 69 -3.630 -2.701 7.192 523 HD21 ASN 69 1HD2 ASN 69 -3.669 -4.381 9.610 524 HD22 ASN 69 2HD2 ASN 69 -2.724 -5.770 9.226 525 H LEU 70 H LEU 70 -2.912 -0.875 5.415 526 HA LEU 70 HA LEU 70 -3.022 1.858 6.526 527 HG LEU 70 HG LEU 70 -4.227 3.165 3.949 528 HB2 LEU 70 2HB LEU 70 -1.664 1.637 4.479 529 HB3 LEU 70 1HB LEU 70 -3.059 1.003 3.626 530 HD11 LEU 70 1HD1 LEU 70 -3.136 3.877 6.014 531 HD12 LEU 70 2HD1 LEU 70 -2.993 5.114 4.765 532 HD13 LEU 70 3HD1 LEU 70 -1.612 4.085 5.149 533 HD21 LEU 70 3HD2 LEU 70 -1.504 3.382 2.657 534 HD22 LEU 70 1HD2 LEU 70 -2.859 4.479 2.384 535 HD23 LEU 70 2HD2 LEU 70 -2.982 2.788 1.896 536 H LYS 71 H LYS 71 -4.951 2.612 7.054 537 HA LYS 71 HA LYS 71 -7.366 1.225 6.133 538 HB2 LYS 71 2HB LYS 71 -6.938 3.224 8.368 539 HB3 LYS 71 1HB LYS 71 -8.501 2.527 7.950 540 HG2 LYS 71 2HG LYS 71 -7.405 0.267 8.409 541 HG3 LYS 71 1HG LYS 71 -6.088 1.189 9.140 542 HD2 LYS 71 2HD LYS 71 -8.186 2.348 10.380 543 HD3 LYS 71 1HD LYS 71 -8.867 0.747 10.093 544 HE2 LYS 71 2HE LYS 71 -7.842 0.737 12.259 545 HE3 LYS 71 1HE LYS 71 -6.832 -0.231 11.182 546 HZ1 LYS 71 3HZ LYS 71 -6.326 2.594 11.952 547 HZ2 LYS 71 1HZ LYS 71 -5.354 1.673 10.924 548 HZ3 LYS 71 2HZ LYS 71 -5.498 1.254 12.555 549 H ALA 72 H ALA 72 -8.999 2.221 5.024 550 HA ALA 72 HA ALA 72 -8.450 4.807 3.797 551 HB1 ALA 72 3HB ALA 72 -9.242 2.953 2.402 552 HB2 ALA 72 1HB ALA 72 -10.361 4.317 2.366 553 HB3 ALA 72 2HB ALA 72 -10.738 2.891 3.334 554 H ALA 73 H ALA 73 -10.647 6.154 3.457 555 HA ALA 73 HA ALA 73 -11.189 7.453 5.845 556 HB1 ALA 73 3HB ALA 73 -12.928 7.362 3.380 557 HB2 ALA 73 1HB ALA 73 -11.574 8.457 3.662 558 HB3 ALA 73 2HB ALA 73 -13.022 8.568 4.665 559 H ASN 74 H ASN 74 -13.019 4.790 4.362 560 HA ASN 74 HA ASN 74 -15.059 4.866 6.442 561 HB2 ASN 74 2HB ASN 74 -15.457 4.274 3.964 562 HB3 ASN 74 1HB ASN 74 -14.746 2.711 4.343 563 HD21 ASN 74 1HD2 ASN 74 -15.876 1.292 5.697 564 HD22 ASN 74 2HD2 ASN 74 -17.556 1.500 6.035 565 H HIS 75 H HIS 75 -12.065 4.091 6.799 566 HA HIS 75 HA HIS 75 -11.018 3.063 8.552 567 HD1 HIS 75 HD1 HIS 75 -11.457 3.297 11.767 568 HD2 HIS 75 HD2 HIS 75 -12.698 -0.426 10.395 569 HE1 HIS 75 HE1 HIS 75 -10.675 1.649 13.486 570 HE2 HIS 75 HE2 HIS 75 -11.292 -0.603 12.555 571 HB2 HIS 75 2HB HIS 75 -13.102 3.414 9.820 572 HB3 HIS 75 1HB HIS 75 -13.747 1.907 9.189 573 H GLN 76 H GLN 76 -12.141 1.608 5.894 574 HA GLN 76 HA GLN 76 -11.807 -1.173 6.512 575 HB2 GLN 76 2HB GLN 76 -12.241 -1.552 4.183 576 HB3 GLN 76 1HB GLN 76 -13.311 -0.268 4.730 577 HG2 GLN 76 2HG GLN 76 -11.392 1.286 3.835 578 HG3 GLN 76 1HG GLN 76 -10.970 -0.136 2.888 579 HE21 GLN 76 1HE2 GLN 76 -13.230 2.415 3.359 580 HE22 GLN 76 2HE2 GLN 76 -14.174 2.120 1.944 581 H ILE 77 H ILE 77 -10.104 -2.562 5.935 582 HA ILE 77 HA ILE 77 -7.476 -1.365 5.729 583 HB ILE 77 HB ILE 77 -8.281 -4.288 5.684 584 HG12 ILE 77 2HG1 ILE 77 -8.861 -3.122 7.799 585 HG13 ILE 77 1HG1 ILE 77 -7.619 -4.346 8.029 586 HG21 ILE 77 1HG2 ILE 77 -5.550 -3.033 6.034 587 HG22 ILE 77 2HG2 ILE 77 -6.105 -3.968 4.645 588 HG23 ILE 77 3HG2 ILE 77 -5.919 -4.748 6.215 589 HD11 ILE 77 3HD1 ILE 77 -7.102 -1.392 7.774 590 HD12 ILE 77 1HD1 ILE 77 -5.911 -2.643 8.123 591 HD13 ILE 77 2HD1 ILE 77 -7.184 -2.288 9.290 592 H ILE 78 H ILE 78 -7.123 -0.462 3.740 593 HA ILE 78 HA ILE 78 -7.768 -1.978 1.312 594 HB ILE 78 HB ILE 78 -7.121 0.078 0.086 595 HG12 ILE 78 2HG1 ILE 78 -6.809 1.298 2.851 596 HG13 ILE 78 1HG1 ILE 78 -5.484 0.950 1.744 597 HG21 ILE 78 1HG2 ILE 78 -9.057 1.417 0.771 598 HG22 ILE 78 2HG2 ILE 78 -9.168 0.489 2.265 599 HG23 ILE 78 3HG2 ILE 78 -9.440 -0.303 0.714 600 HD11 ILE 78 3HD1 ILE 78 -6.082 3.309 1.724 601 HD12 ILE 78 1HD1 ILE 78 -7.726 2.899 1.242 602 HD13 ILE 78 2HD1 ILE 78 -6.377 2.564 0.153 603 H GLY 79 H GLY 79 -4.969 -0.857 3.130 604 HA2 GLY 79 2HA GLY 79 -3.226 -2.157 1.110 605 HA3 GLY 79 1HA GLY 79 -2.772 -0.680 1.940 606 H THR 80 H THR 80 -1.452 -3.322 1.802 607 HA THR 80 HA THR 80 -1.017 -3.621 4.700 608 HB THR 80 HB THR 80 -1.145 -5.959 2.768 609 HG1 THR 80 HG1 THR 80 -2.973 -4.989 4.719 610 HG21 THR 80 3HG2 THR 80 0.474 -6.320 4.565 611 HG22 THR 80 1HG2 THR 80 -0.945 -7.344 4.796 612 HG23 THR 80 2HG2 THR 80 -0.741 -5.886 5.767 613 H SER 81 H SER 81 1.104 -3.576 5.253 614 HA SER 81 HA SER 81 3.080 -3.312 3.143 615 HG SER 81 HG SER 81 5.266 -1.936 4.598 616 HB2 SER 81 2HB SER 81 3.222 -1.810 5.062 617 HB3 SER 81 1HB SER 81 3.399 -3.183 6.154 618 H GLN 82 H GLN 82 5.314 -4.399 3.712 619 HA GLN 82 HA GLN 82 4.803 -7.285 3.773 620 HB2 GLN 82 2HB GLN 82 7.078 -7.512 2.848 621 HB3 GLN 82 1HB GLN 82 6.059 -6.481 1.854 622 HG2 GLN 82 2HG GLN 82 7.160 -4.511 2.607 623 HG3 GLN 82 1HG GLN 82 8.004 -5.392 3.879 624 HE21 GLN 82 1HE2 GLN 82 9.026 -3.747 1.651 625 HE22 GLN 82 2HE2 GLN 82 10.129 -4.769 0.806 626 H MET 83 H MET 83 6.771 -8.563 4.708 627 HA MET 83 HA MET 83 6.988 -7.821 7.497 628 HB2 MET 83 2HB MET 83 8.191 -10.023 7.694 629 HB3 MET 83 1HB MET 83 6.555 -10.125 7.061 630 HG2 MET 83 2HG MET 83 7.473 -10.284 4.779 631 HG3 MET 83 1HG MET 83 9.102 -10.256 5.455 632 HE1 MET 83 3HE MET 83 7.874 -12.560 3.490 633 HE2 MET 83 1HE MET 83 8.609 -13.977 4.238 634 HE3 MET 83 2HE MET 83 9.547 -12.496 4.041 635 H TYR 84 H TYR 84 8.440 -6.293 8.018 636 HA TYR 84 HA TYR 84 10.970 -6.007 6.645 637 HD1 TYR 84 HD1 TYR 84 7.720 -4.127 8.066 638 HD2 TYR 84 HD2 TYR 84 11.382 -2.969 6.227 639 HE1 TYR 84 HE1 TYR 84 6.491 -2.591 6.595 640 HE2 TYR 84 HE2 TYR 84 10.157 -1.430 4.751 641 HH TYR 84 HH TYR 84 7.919 -1.106 3.869 642 HB2 TYR 84 2HB TYR 84 9.879 -4.636 9.116 643 HB3 TYR 84 1HB TYR 84 11.387 -4.203 8.320 644 H SER 85 H SER 85 13.069 -6.032 7.801 645 HA SER 85 HA SER 85 13.213 -8.293 9.662 646 HG SER 85 HG SER 85 16.424 -6.838 7.621 647 HB2 SER 85 2HB SER 85 15.650 -8.243 9.180 648 HB3 SER 85 1HB SER 85 14.675 -8.414 7.723 649 H SER 86 H SER 86 13.046 -4.982 9.895 650 HA SER 86 HA SER 86 14.102 -5.056 12.631 651 HG SER 86 HG SER 86 16.361 -4.897 11.973 652 HB2 SER 86 2HB SER 86 14.849 -2.920 10.608 653 HB3 SER 86 1HB SER 86 15.212 -2.847 12.331 654 H THR 87 H THR 87 13.007 -3.746 14.083 655 HA THR 87 HA THR 87 10.327 -3.083 13.446 656 HB THR 87 HB THR 87 10.198 -2.122 15.707 657 HG1 THR 87 HG1 THR 87 12.029 -1.858 16.943 658 HG21 THR 87 3HG2 THR 87 11.799 -4.687 15.609 659 HG22 THR 87 1HG2 THR 87 10.046 -4.557 15.472 660 HG23 THR 87 2HG2 THR 87 10.848 -4.121 16.981 661 H ALA 88 H ALA 88 13.139 -0.996 14.125 662 HA ALA 88 HA ALA 88 11.927 1.482 13.738 663 HB1 ALA 88 3HB ALA 88 14.182 1.198 14.663 664 HB2 ALA 88 1HB ALA 88 14.165 2.360 13.338 665 HB3 ALA 88 2HB ALA 88 14.776 0.727 13.071 666 H ALA 89 H ALA 89 13.329 -0.734 11.358 667 HA ALA 89 HA ALA 89 13.113 0.895 9.077 668 HB1 ALA 89 3HB ALA 89 12.897 -2.115 9.208 669 HB2 ALA 89 1HB ALA 89 14.405 -1.200 9.146 670 HB3 ALA 89 2HB ALA 89 13.287 -1.151 7.783 671 H ARG 90 H ARG 90 10.743 -1.106 10.727 672 HA ARG 90 HA ARG 90 8.710 -1.015 8.747 673 HE ARG 90 HE ARG 90 6.856 0.068 12.683 674 HB2 ARG 90 2HB ARG 90 8.804 -2.602 10.682 675 HB3 ARG 90 1HB ARG 90 8.392 -1.275 11.752 676 HG2 ARG 90 2HG ARG 90 6.604 -2.042 9.465 677 HG3 ARG 90 1HG ARG 90 6.534 -2.889 11.008 678 HD2 ARG 90 2HD ARG 90 6.020 0.044 10.504 679 HD3 ARG 90 1HD ARG 90 4.843 -1.181 10.977 680 HH11 ARG 90 1HH1 ARG 90 4.321 -2.267 12.371 681 HH12 ARG 90 2HH1 ARG 90 4.083 -2.371 14.084 682 HH21 ARG 90 1HH2 ARG 90 6.530 -0.077 14.847 683 HH22 ARG 90 2HH2 ARG 90 5.315 -1.145 15.466 684 H ASP 91 H ASP 91 9.142 0.907 11.744 685 HA ASP 91 HA ASP 91 7.099 2.773 11.170 686 HB2 ASP 91 2HB ASP 91 9.545 2.957 12.935 687 HB3 ASP 91 1HB ASP 91 8.336 4.235 12.841 688 H ASN 92 H ASN 92 10.468 2.639 10.165 689 HA ASN 92 HA ASN 92 10.527 5.212 8.938 690 HB2 ASN 92 2HB ASN 92 12.210 2.732 8.613 691 HB3 ASN 92 1HB ASN 92 12.456 4.141 7.584 692 HD21 ASN 92 1HD2 ASN 92 14.183 2.893 9.643 693 HD22 ASN 92 2HD2 ASN 92 14.561 4.171 10.740 694 H GLY 93 H GLY 93 9.537 2.004 7.809 695 HA2 GLY 93 2HA GLY 93 9.034 2.617 5.115 696 HA3 GLY 93 1HA GLY 93 8.160 1.418 6.058 697 H ILE 94 H ILE 94 7.027 3.097 7.991 698 HA ILE 94 HA ILE 94 4.764 4.208 6.738 699 HB ILE 94 HB ILE 94 5.881 4.857 9.476 700 HG12 ILE 94 2HG1 ILE 94 3.838 2.778 8.632 701 HG13 ILE 94 1HG1 ILE 94 5.495 2.443 9.128 702 HG21 ILE 94 1HG2 ILE 94 3.578 5.505 10.040 703 HG22 ILE 94 2HG2 ILE 94 3.092 5.220 8.367 704 HG23 ILE 94 3HG2 ILE 94 4.239 6.506 8.746 705 HD11 ILE 94 3HD1 ILE 94 4.999 3.333 11.346 706 HD12 ILE 94 1HD1 ILE 94 3.946 1.984 10.919 707 HD13 ILE 94 2HD1 ILE 94 3.335 3.637 10.844 708 H LYS 95 H LYS 95 7.679 5.780 8.051 709 HA LYS 95 HA LYS 95 7.105 8.416 7.276 710 HB2 LYS 95 2HB LYS 95 9.762 6.976 7.501 711 HB3 LYS 95 1HB LYS 95 9.594 8.717 7.314 712 HG2 LYS 95 2HG LYS 95 8.613 8.965 9.443 713 HG3 LYS 95 1HG LYS 95 8.303 7.235 9.591 714 HD2 LYS 95 2HD LYS 95 10.189 7.944 10.998 715 HD3 LYS 95 1HD LYS 95 10.699 6.798 9.759 716 HE2 LYS 95 2HE LYS 95 11.417 8.778 8.375 717 HE3 LYS 95 1HE LYS 95 11.110 9.786 9.789 718 HZ1 LYS 95 3HZ LYS 95 12.733 8.477 11.019 719 HZ2 LYS 95 1HZ LYS 95 13.433 9.160 9.640 720 HZ3 LYS 95 2HZ LYS 95 13.024 7.519 9.658 721 H SER 96 H SER 96 8.480 5.715 5.475 722 HA SER 96 HA SER 96 9.210 7.123 3.139 723 HG SER 96 HG SER 96 9.671 3.933 1.566 724 HB2 SER 96 2HB SER 96 10.044 4.861 3.660 725 HB3 SER 96 1HB SER 96 8.422 4.210 3.434 726 H VAL 97 H VAL 97 6.152 5.503 4.053 727 HA VAL 97 HA VAL 97 4.954 6.027 1.491 728 HB VAL 97 HB VAL 97 4.201 4.092 2.754 729 HG11 VAL 97 1HG1 VAL 97 2.797 4.300 4.743 730 HG12 VAL 97 2HG1 VAL 97 3.074 6.042 4.763 731 HG13 VAL 97 3HG1 VAL 97 4.419 4.932 5.028 732 HG21 VAL 97 3HG2 VAL 97 1.800 4.362 2.474 733 HG22 VAL 97 1HG2 VAL 97 2.665 5.145 1.151 734 HG23 VAL 97 2HG2 VAL 97 1.978 6.117 2.453 735 H MET 98 H MET 98 4.916 7.743 4.607 736 HA MET 98 HA MET 98 2.883 9.574 3.793 737 HB2 MET 98 2HB MET 98 3.496 10.930 5.699 738 HB3 MET 98 1HB MET 98 3.449 9.239 6.165 739 HG2 MET 98 2HG MET 98 5.313 10.180 7.241 740 HG3 MET 98 1HG MET 98 5.950 9.212 5.914 741 HE1 MET 98 3HE MET 98 8.293 10.467 6.269 742 HE2 MET 98 1HE MET 98 7.593 11.462 7.546 743 HE3 MET 98 2HE MET 98 8.474 12.220 6.220 744 H GLU 99 H GLU 99 6.334 9.429 3.257 745 HA GLU 99 HA GLU 99 6.508 12.049 2.062 746 HB2 GLU 99 2HB GLU 99 8.492 11.095 3.058 747 HB3 GLU 99 1HB GLU 99 8.378 9.670 2.037 748 HG2 GLU 99 2HG GLU 99 8.803 11.080 0.055 749 HG3 GLU 99 1HG GLU 99 8.981 12.479 1.112 750 H ASN 100 H ASN 100 6.639 8.728 0.704 751 HA ASN 100 HA ASN 100 6.528 9.846 -2.005 752 HB2 ASN 100 2HB ASN 100 7.052 7.000 -1.112 753 HB3 ASN 100 1HB ASN 100 7.233 7.625 -2.747 754 HD21 ASN 100 1HD2 ASN 100 8.551 7.586 0.458 755 HD22 ASN 100 2HD2 ASN 100 10.081 8.275 0.057 756 H GLY 101 H GLY 101 4.264 8.712 0.159 757 HA2 GLY 101 2HA GLY 101 2.736 6.960 -1.505 758 HA3 GLY 101 1HA GLY 101 2.203 7.688 -0.002 759 H LYS 102 H LYS 102 2.397 10.405 -0.703 760 HA LYS 102 HA LYS 102 -0.057 10.695 -2.173 761 HB2 LYS 102 2HB LYS 102 0.311 13.157 -1.697 762 HB3 LYS 102 1HB LYS 102 0.203 12.105 -0.293 763 HG2 LYS 102 2HG LYS 102 2.696 12.099 -0.180 764 HG3 LYS 102 1HG LYS 102 2.709 13.292 -1.481 765 HD2 LYS 102 2HD LYS 102 1.487 14.869 -0.099 766 HD3 LYS 102 1HD LYS 102 1.317 13.663 1.180 767 HE2 LYS 102 2HE LYS 102 3.761 13.624 1.451 768 HE3 LYS 102 1HE LYS 102 3.914 14.850 0.192 769 HZ1 LYS 102 3HZ LYS 102 2.498 15.193 2.779 770 HZ2 LYS 102 1HZ LYS 102 2.639 16.368 1.571 771 HZ3 LYS 102 2HZ LYS 102 4.015 15.826 2.389 772 H THR 103 H THR 103 1.826 9.606 -3.886 773 HA THR 103 HA THR 103 2.600 11.751 -5.738 774 HB THR 103 HB THR 103 4.330 10.109 -5.322 775 HG1 THR 103 HG1 THR 103 4.758 9.541 -7.458 776 HG21 THR 103 3HG2 THR 103 2.897 8.225 -4.647 777 HG22 THR 103 1HG2 THR 103 4.063 7.745 -5.881 778 HG23 THR 103 2HG2 THR 103 2.379 8.027 -6.322 779 H THR 104 H THR 104 1.614 12.070 -7.703 780 HA THR 104 HA THR 104 -0.849 10.606 -8.251 781 HB THR 104 HB THR 104 -1.177 12.218 -10.094 782 HG1 THR 104 HG1 THR 104 0.346 13.820 -10.478 783 HG21 THR 104 3HG2 THR 104 -1.406 14.246 -8.720 784 HG22 THR 104 1HG2 THR 104 -0.386 13.519 -7.479 785 HG23 THR 104 2HG2 THR 104 -1.959 12.816 -7.852 786 H THR 105 H THR 105 2.220 9.848 -8.810 787 HA THR 105 HA THR 105 2.154 9.195 -11.631 788 HB THR 105 HB THR 105 4.205 8.345 -9.568 789 HG1 THR 105 HG1 THR 105 4.453 10.481 -9.507 790 HG21 THR 105 3HG2 THR 105 4.375 8.599 -12.578 791 HG22 THR 105 1HG2 THR 105 4.326 7.088 -11.668 792 HG23 THR 105 2HG2 THR 105 5.708 8.172 -11.506 793 H ILE 106 H ILE 106 0.672 7.628 -12.091 794 HA ILE 106 HA ILE 106 0.774 5.101 -10.555 795 HB ILE 106 HB ILE 106 -1.466 6.145 -12.310 796 HG12 ILE 106 2HG1 ILE 106 -1.313 5.985 -9.283 797 HG13 ILE 106 1HG1 ILE 106 -1.161 7.465 -10.224 798 HG21 ILE 106 1HG2 ILE 106 -2.790 4.310 -11.333 799 HG22 ILE 106 2HG2 ILE 106 -1.351 3.730 -10.496 800 HG23 ILE 106 3HG2 ILE 106 -1.412 3.715 -12.257 801 HD11 ILE 106 3HD1 ILE 106 -3.598 5.700 -10.080 802 HD12 ILE 106 1HD1 ILE 106 -3.449 7.172 -11.042 803 HD13 ILE 106 2HD1 ILE 106 -3.381 7.257 -9.282 804 H LYS 107 H LYS 107 1.644 3.377 -11.555 805 HA LYS 107 HA LYS 107 1.965 3.406 -14.480 806 HB2 LYS 107 2HB LYS 107 3.319 1.712 -12.367 807 HB3 LYS 107 1HB LYS 107 3.612 1.577 -14.095 808 HG2 LYS 107 2HG LYS 107 4.426 3.911 -14.112 809 HG3 LYS 107 1HG LYS 107 4.197 3.975 -12.362 810 HD2 LYS 107 2HD LYS 107 6.532 3.503 -12.926 811 HD3 LYS 107 1HD LYS 107 5.796 2.140 -12.080 812 HE2 LYS 107 2HE LYS 107 5.408 1.045 -14.281 813 HE3 LYS 107 1HE LYS 107 6.268 2.375 -15.056 814 HZ1 LYS 107 3HZ LYS 107 8.241 1.780 -13.786 815 HZ2 LYS 107 1HZ LYS 107 7.705 0.472 -14.713 816 HZ3 LYS 107 2HZ LYS 107 7.409 0.508 -13.050 817 H ASP 108 H ASP 108 1.443 1.584 -15.747 818 HA ASP 108 HA ASP 108 -0.612 -0.178 -14.560 819 HB2 ASP 108 2HB ASP 108 -1.307 1.486 -16.368 820 HB3 ASP 108 1HB ASP 108 -0.344 0.531 -17.490 821 H LEU 109 H LEU 109 0.184 -2.167 -14.198 822 HA LEU 109 HA LEU 109 2.025 -3.367 -16.174 823 HG LEU 109 HG LEU 109 2.950 -2.103 -13.417 824 HB2 LEU 109 2HB LEU 109 1.548 -4.111 -13.278 825 HB3 LEU 109 1HB LEU 109 2.629 -4.961 -14.367 826 HD11 LEU 109 1HD1 LEU 109 4.557 -4.583 -12.791 827 HD12 LEU 109 2HD1 LEU 109 3.432 -3.778 -11.696 828 HD13 LEU 109 3HD1 LEU 109 4.896 -2.947 -12.221 829 HD21 LEU 109 3HD2 LEU 109 4.731 -3.759 -15.213 830 HD22 LEU 109 1HD2 LEU 109 5.103 -2.154 -14.582 831 HD23 LEU 109 2HD2 LEU 109 3.764 -2.369 -15.707 832 H THR 110 H THR 110 -1.115 -3.231 -15.840 833 HA THR 110 HA THR 110 -1.731 -6.098 -15.869 834 HB THR 110 HB THR 110 -4.058 -5.512 -15.836 835 HG1 THR 110 HG1 THR 110 -3.203 -2.828 -16.325 836 HG21 THR 110 3HG2 THR 110 -2.893 -5.277 -13.686 837 HG22 THR 110 1HG2 THR 110 -4.221 -4.125 -13.824 838 HG23 THR 110 2HG2 THR 110 -2.559 -3.585 -14.052 839 H LEU 111 H LEU 111 -1.102 -3.553 -18.064 840 HA LEU 111 HA LEU 111 -2.488 -4.359 -20.356 841 HG LEU 111 HG LEU 111 -1.599 -1.678 -19.221 842 HB2 LEU 111 2HB LEU 111 0.251 -3.106 -20.100 843 HB3 LEU 111 1HB LEU 111 -0.624 -3.256 -21.612 844 HD11 LEU 111 1HD1 LEU 111 -0.326 -0.705 -21.781 845 HD12 LEU 111 2HD1 LEU 111 0.412 -0.677 -20.178 846 HD13 LEU 111 3HD1 LEU 111 -1.014 0.307 -20.508 847 HD21 LEU 111 3HD2 LEU 111 -3.229 -0.765 -20.811 848 HD22 LEU 111 1HD2 LEU 111 -3.407 -2.508 -20.627 849 HD23 LEU 111 2HD2 LEU 111 -2.618 -1.849 -22.060 850 H GLU 112 H GLU 112 0.854 -5.203 -19.421 851 HA GLU 112 HA GLU 112 1.023 -7.160 -21.573 852 HB2 GLU 112 2HB GLU 112 3.078 -6.265 -19.535 853 HB3 GLU 112 1HB GLU 112 3.394 -7.353 -20.879 854 HG2 GLU 112 2HG GLU 112 2.941 -5.602 -22.469 855 HG3 GLU 112 1HG GLU 112 2.451 -4.508 -21.175 856 H HIS 113 H HIS 113 0.478 -9.262 -21.249 857 HA HIS 113 HA HIS 113 0.409 -10.521 -18.696 858 HD1 HIS 113 HD1 HIS 113 1.387 -13.978 -21.644 859 HD2 HIS 113 HD2 HIS 113 0.545 -10.142 -23.002 860 HE1 HIS 113 HE1 HIS 113 2.170 -13.917 -24.029 861 HE2 HIS 113 HE2 HIS 113 1.770 -11.554 -24.783 862 HB2 HIS 113 2HB HIS 113 0.229 -12.644 -19.925 863 HB3 HIS 113 1HB HIS 113 -0.852 -11.437 -20.601 864 H HIS 114 H HIS 114 2.445 -9.649 -17.921 865 HA HIS 114 HA HIS 114 4.911 -9.842 -19.106 866 HD1 HIS 114 HD1 HIS 114 4.805 -11.477 -15.065 867 HD2 HIS 114 HD2 HIS 114 2.489 -8.086 -15.710 868 HE1 HIS 114 HE1 HIS 114 3.121 -11.447 -13.205 869 HE2 HIS 114 HE2 HIS 114 1.644 -9.475 -13.706 870 HB2 HIS 114 2HB HIS 114 5.836 -9.654 -16.730 871 HB3 HIS 114 1HB HIS 114 4.726 -8.400 -17.265 872 H HIS 115 H HIS 115 5.594 -11.690 -20.005 873 HA HIS 115 HA HIS 115 5.694 -14.158 -18.462 874 HD1 HIS 115 HD1 HIS 115 5.176 -12.034 -22.103 875 HD2 HIS 115 HD2 HIS 115 8.707 -14.232 -22.073 876 HE1 HIS 115 HE1 HIS 115 6.605 -11.040 -23.910 877 HE2 HIS 115 HE2 HIS 115 8.768 -12.319 -23.813 878 HB2 HIS 115 2HB HIS 115 6.611 -15.163 -20.538 879 HB3 HIS 115 1HB HIS 115 5.069 -14.358 -20.800 880 H HIS 116 H HIS 116 7.186 -14.017 -16.888 881 HA HIS 116 HA HIS 116 9.798 -12.821 -17.435 882 HD1 HIS 116 HD1 HIS 116 10.849 -14.177 -13.509 883 HD2 HIS 116 HD2 HIS 116 10.849 -10.625 -15.664 884 HE1 HIS 116 HE1 HIS 116 12.902 -12.942 -12.765 885 HE2 HIS 116 HE2 HIS 116 12.759 -10.712 -13.924 886 HB2 HIS 116 2HB HIS 116 8.430 -12.216 -15.395 887 HB3 HIS 116 1HB HIS 116 8.732 -13.840 -14.792 888 H HIS 117 H HIS 117 10.832 -14.387 -18.659 889 HA HIS 117 HA HIS 117 11.384 -16.954 -17.295 890 HD1 HIS 117 HD1 HIS 117 13.092 -17.639 -21.184 891 HD2 HIS 117 HD2 HIS 117 10.962 -19.938 -18.455 892 HE1 HIS 117 HE1 HIS 117 14.089 -19.934 -21.319 893 HE2 HIS 117 HE2 HIS 117 12.672 -21.341 -19.793 894 HB2 HIS 117 2HB HIS 117 9.965 -17.367 -19.230 895 HB3 HIS 117 1HB HIS 117 11.052 -16.447 -20.267 896 H HIS 118 H HIS 118 13.458 -17.467 -16.976 897 HA HIS 118 HA HIS 118 15.557 -15.706 -17.966 898 HD1 HIS 118 HD1 HIS 118 17.828 -19.145 -16.340 899 HD2 HIS 118 HD2 HIS 118 18.113 -14.997 -16.410 900 HE1 HIS 118 HE1 HIS 118 20.285 -18.639 -16.378 901 HE2 HIS 118 HE2 HIS 118 20.427 -16.142 -16.600 902 HB2 HIS 118 2HB HIS 118 15.619 -16.348 -15.623 903 HB3 HIS 118 1HB HIS 118 15.615 -18.055 -16.051 Start of MODEL 6 1 HA MET 1 HA MET 1 13.621 10.757 -6.902 2 H1 MET 1 1H MET 1 13.952 12.644 -5.450 3 H2 MET 1 2H MET 1 15.324 11.660 -5.468 4 H3 MET 1 3H MET 1 14.273 11.621 -4.142 5 HB2 MET 1 2HB MET 1 14.143 9.178 -4.368 6 HB3 MET 1 1HB MET 1 13.423 8.486 -5.817 7 HG2 MET 1 2HG MET 1 15.436 8.962 -7.077 8 HG3 MET 1 1HG MET 1 16.159 9.738 -5.668 9 HE1 MET 1 3HE MET 1 17.529 7.356 -7.370 10 HE2 MET 1 1HE MET 1 18.204 6.386 -6.060 11 HE3 MET 1 2HE MET 1 18.306 8.147 -5.998 12 H SER 2 H SER 2 11.590 9.354 -6.845 13 HA SER 2 HA SER 2 9.733 9.877 -4.675 14 HG SER 2 HG SER 2 7.092 11.407 -6.555 15 HB2 SER 2 2HB SER 2 9.369 11.829 -6.158 16 HB3 SER 2 1HB SER 2 9.022 10.737 -7.498 17 H GLY 3 H GLY 3 7.745 8.580 -4.869 18 HA2 GLY 3 2HA GLY 3 8.459 5.959 -5.944 19 HA3 GLY 3 1HA GLY 3 7.178 6.299 -4.795 20 H TRP 4 H TRP 4 6.269 4.643 -6.417 21 HA TRP 4 HA TRP 4 4.323 6.024 -8.004 22 HD1 TRP 4 HD1 TRP 4 5.215 2.297 -10.189 23 HE1 TRP 4 HE1 TRP 4 7.360 0.874 -10.242 24 HE3 TRP 4 HE3 TRP 4 8.596 5.860 -8.749 25 HZ2 TRP 4 HZ2 TRP 4 10.108 1.213 -9.734 26 HZ3 TRP 4 HZ3 TRP 4 10.965 5.223 -8.555 27 HH2 TRP 4 HH2 TRP 4 11.705 2.948 -9.038 28 HB2 TRP 4 2HB TRP 4 4.839 4.961 -10.153 29 HB3 TRP 4 1HB TRP 4 6.184 5.959 -9.617 30 H TYR 5 H TYR 5 2.748 4.484 -9.005 31 HA TYR 5 HA TYR 5 2.477 2.047 -7.352 32 HD1 TYR 5 HD1 TYR 5 0.777 5.732 -8.027 33 HD2 TYR 5 HD2 TYR 5 0.023 2.399 -5.483 34 HE1 TYR 5 HE1 TYR 5 0.320 7.263 -6.162 35 HE2 TYR 5 HE2 TYR 5 -0.433 3.928 -3.611 36 HH TYR 5 HH TYR 5 0.213 6.338 -2.993 37 HB2 TYR 5 2HB TYR 5 0.357 3.512 -8.956 38 HB3 TYR 5 1HB TYR 5 0.086 2.129 -7.904 39 H GLU 6 H GLU 6 2.642 0.077 -8.318 40 HA GLU 6 HA GLU 6 2.334 -0.075 -11.254 41 HB2 GLU 6 2HB GLU 6 3.904 -1.821 -9.354 42 HB3 GLU 6 1HB GLU 6 3.545 -2.307 -11.005 43 HG2 GLU 6 2HG GLU 6 4.731 -0.338 -11.847 44 HG3 GLU 6 1HG GLU 6 5.089 0.151 -10.191 45 H LEU 7 H LEU 7 0.361 -0.687 -11.801 46 HA LEU 7 HA LEU 7 -1.183 -2.493 -10.074 47 HG LEU 7 HG LEU 7 -3.501 -2.838 -12.096 48 HB2 LEU 7 2HB LEU 7 -2.242 -0.409 -10.799 49 HB3 LEU 7 1HB LEU 7 -1.997 -0.848 -12.478 50 HD11 LEU 7 1HD1 LEU 7 -3.302 -2.981 -9.668 51 HD12 LEU 7 2HD1 LEU 7 -4.986 -2.805 -10.159 52 HD13 LEU 7 3HD1 LEU 7 -4.112 -1.422 -9.500 53 HD21 LEU 7 3HD2 LEU 7 -4.292 -0.809 -13.196 54 HD22 LEU 7 1HD2 LEU 7 -4.713 -0.111 -11.632 55 HD23 LEU 7 2HD2 LEU 7 -5.562 -1.543 -12.219 56 H SER 8 H SER 8 -1.475 -4.611 -10.585 57 HA SER 8 HA SER 8 -1.261 -5.411 -13.415 58 HG SER 8 HG SER 8 1.009 -4.929 -12.532 59 HB2 SER 8 2HB SER 8 0.072 -6.840 -11.097 60 HB3 SER 8 1HB SER 8 -0.046 -7.484 -12.732 61 H LYS 9 H LYS 9 -2.350 -7.374 -13.988 62 HA LYS 9 HA LYS 9 -4.677 -7.925 -12.284 63 HB2 LYS 9 2HB LYS 9 -5.298 -7.244 -14.492 64 HB3 LYS 9 1HB LYS 9 -4.168 -8.369 -15.233 65 HG2 LYS 9 2HG LYS 9 -5.510 -10.253 -14.362 66 HG3 LYS 9 1HG LYS 9 -6.662 -9.095 -13.698 67 HD2 LYS 9 2HD LYS 9 -5.964 -9.312 -16.634 68 HD3 LYS 9 1HD LYS 9 -7.345 -10.111 -15.884 69 HE2 LYS 9 2HE LYS 9 -8.114 -7.828 -15.127 70 HE3 LYS 9 1HE LYS 9 -6.851 -7.147 -16.155 71 HZ1 LYS 9 3HZ LYS 9 -9.067 -8.893 -17.085 72 HZ2 LYS 9 1HZ LYS 9 -7.879 -8.194 -18.063 73 HZ3 LYS 9 2HZ LYS 9 -8.999 -7.214 -17.269 74 H SER 10 H SER 10 -4.679 -9.730 -11.082 75 HA SER 10 HA SER 10 -2.900 -11.928 -11.510 76 HG SER 10 HG SER 10 -3.206 -11.874 -8.324 77 HB2 SER 10 2HB SER 10 -5.373 -11.703 -9.764 78 HB3 SER 10 1HB SER 10 -4.237 -13.052 -9.726 79 H SER 11 H SER 11 -3.833 -14.238 -11.664 80 HA SER 11 HA SER 11 -4.790 -14.524 -14.279 81 HG SER 11 HG SER 11 -2.896 -16.642 -14.129 82 HB2 SER 11 2HB SER 11 -4.724 -16.582 -12.055 83 HB3 SER 11 1HB SER 11 -4.958 -16.947 -13.764 84 H ASN 12 H ASN 12 -6.611 -14.106 -11.374 85 HA ASN 12 HA ASN 12 -9.071 -15.106 -12.641 86 HB2 ASN 12 2HB ASN 12 -10.070 -14.850 -10.376 87 HB3 ASN 12 1HB ASN 12 -8.695 -15.939 -10.412 88 HD21 ASN 12 1HD2 ASN 12 -9.728 -14.666 -8.124 89 HD22 ASN 12 2HD2 ASN 12 -8.499 -13.628 -7.499 90 H ASP 13 H ASP 13 -7.675 -12.521 -13.300 91 HA ASP 13 HA ASP 13 -8.289 -10.485 -14.063 92 HB2 ASP 13 2HB ASP 13 -11.056 -11.462 -13.365 93 HB3 ASP 13 1HB ASP 13 -10.762 -9.886 -14.090 94 H GLN 14 H GLN 14 -8.210 -11.223 -10.905 95 HA GLN 14 HA GLN 14 -9.351 -8.795 -9.837 96 HB2 GLN 14 2HB GLN 14 -7.606 -10.886 -8.515 97 HB3 GLN 14 1HB GLN 14 -8.335 -9.518 -7.682 98 HG2 GLN 14 2HG GLN 14 -10.570 -10.471 -8.611 99 HG3 GLN 14 1HG GLN 14 -9.646 -11.949 -8.831 100 HE21 GLN 14 1HE2 GLN 14 -10.940 -9.710 -6.497 101 HE22 GLN 14 2HE2 GLN 14 -10.742 -10.732 -5.119 102 H PHE 15 H PHE 15 -8.314 -6.958 -9.220 103 HA PHE 15 HA PHE 15 -5.612 -6.589 -10.327 104 HD1 PHE 15 HD2 PHE 15 -9.489 -5.616 -10.904 105 HD2 PHE 15 HD1 PHE 15 -5.744 -4.587 -12.660 106 HE1 PHE 15 HE2 PHE 15 -10.469 -5.873 -13.144 107 HE2 PHE 15 HE1 PHE 15 -6.722 -4.848 -14.900 108 HZ PHE 15 HZ PHE 15 -9.085 -5.491 -15.143 109 HB2 PHE 15 2HB PHE 15 -7.724 -4.544 -9.599 110 HB3 PHE 15 1HB PHE 15 -6.162 -4.180 -10.324 111 H LYS 16 H LYS 16 -3.911 -5.923 -9.106 112 HA LYS 16 HA LYS 16 -4.421 -4.637 -6.527 113 HB2 LYS 16 2HB LYS 16 -2.982 -6.015 -5.239 114 HB3 LYS 16 1HB LYS 16 -4.035 -7.116 -6.111 115 HG2 LYS 16 2HG LYS 16 -1.186 -6.450 -6.850 116 HG3 LYS 16 1HG LYS 16 -1.727 -7.915 -6.029 117 HD2 LYS 16 2HD LYS 16 -3.093 -8.484 -8.012 118 HD3 LYS 16 1HD LYS 16 -2.475 -7.046 -8.828 119 HE2 LYS 16 2HE LYS 16 -0.871 -9.422 -7.885 120 HE3 LYS 16 1HE LYS 16 -1.228 -8.987 -9.555 121 HZ1 LYS 16 3HZ LYS 16 0.042 -6.896 -9.154 122 HZ2 LYS 16 1HZ LYS 16 0.983 -8.300 -9.052 123 HZ3 LYS 16 2HZ LYS 16 0.497 -7.506 -7.646 124 H PHE 17 H PHE 17 -2.712 -3.261 -5.831 125 HA PHE 17 HA PHE 17 -0.656 -2.752 -7.887 126 HD1 PHE 17 HD2 PHE 17 -4.372 -1.270 -6.754 127 HD2 PHE 17 HD1 PHE 17 -0.846 0.541 -5.188 128 HE1 PHE 17 HE2 PHE 17 -5.683 -0.322 -4.901 129 HE2 PHE 17 HE1 PHE 17 -2.154 1.494 -3.336 130 HZ PHE 17 HZ PHE 17 -4.578 1.064 -3.191 131 HB2 PHE 17 2HB PHE 17 -0.900 -0.323 -7.451 132 HB3 PHE 17 1HB PHE 17 -2.360 -1.045 -8.115 133 H VAL 18 H VAL 18 1.316 -1.882 -7.191 134 HA VAL 18 HA VAL 18 1.864 -2.106 -4.294 135 HB VAL 18 HB VAL 18 4.131 -2.857 -4.827 136 HG11 VAL 18 1HG1 VAL 18 2.400 -4.549 -4.505 137 HG12 VAL 18 2HG1 VAL 18 3.606 -5.095 -5.668 138 HG13 VAL 18 3HG1 VAL 18 2.037 -4.520 -6.231 139 HG21 VAL 18 3HG2 VAL 18 4.770 -3.459 -7.127 140 HG22 VAL 18 1HG2 VAL 18 4.446 -1.731 -6.968 141 HG23 VAL 18 2HG2 VAL 18 3.249 -2.788 -7.719 142 H LEU 19 H LEU 19 3.042 -0.499 -3.335 143 HA LEU 19 HA LEU 19 3.610 1.880 -4.978 144 HG LEU 19 HG LEU 19 4.588 3.505 -2.356 145 HB2 LEU 19 2HB LEU 19 1.981 2.223 -3.214 146 HB3 LEU 19 1HB LEU 19 3.089 1.579 -2.017 147 HD11 LEU 19 1HD1 LEU 19 2.456 4.502 -4.250 148 HD12 LEU 19 2HD1 LEU 19 4.089 3.999 -4.687 149 HD13 LEU 19 3HD1 LEU 19 3.846 5.429 -3.684 150 HD21 LEU 19 3HD2 LEU 19 2.865 3.592 -0.623 151 HD22 LEU 19 1HD2 LEU 19 1.728 4.290 -1.779 152 HD23 LEU 19 2HD2 LEU 19 3.170 5.188 -1.304 153 H LYS 20 H LYS 20 5.653 2.430 -5.347 154 HA LYS 20 HA LYS 20 7.828 1.099 -3.947 155 HB2 LYS 20 2HB LYS 20 7.594 2.783 -6.409 156 HB3 LYS 20 1HB LYS 20 9.167 2.638 -5.640 157 HG2 LYS 20 2HG LYS 20 8.832 1.050 -7.490 158 HG3 LYS 20 1HG LYS 20 9.165 0.256 -5.954 159 HD2 LYS 20 2HD LYS 20 6.886 -0.383 -5.698 160 HD3 LYS 20 1HD LYS 20 6.374 0.655 -7.028 161 HE2 LYS 20 2HE LYS 20 6.475 -1.776 -7.592 162 HE3 LYS 20 1HE LYS 20 7.453 -0.744 -8.632 163 HZ1 LYS 20 3HZ LYS 20 9.422 -1.434 -7.512 164 HZ2 LYS 20 1HZ LYS 20 8.556 -2.827 -7.923 165 HZ3 LYS 20 2HZ LYS 20 8.549 -2.267 -6.327 166 H ALA 21 H ALA 21 9.432 2.087 -2.739 167 HA ALA 21 HA ALA 21 8.758 4.607 -1.450 168 HB1 ALA 21 3HB ALA 21 9.552 2.697 -0.139 169 HB2 ALA 21 1HB ALA 21 10.619 4.087 0.037 170 HB3 ALA 21 2HB ALA 21 11.087 2.740 -1.001 171 H GLY 22 H GLY 22 9.626 4.631 -4.282 172 HA2 GLY 22 2HA GLY 22 10.743 6.267 -5.516 173 HA3 GLY 22 1HA GLY 22 11.626 6.725 -4.070 174 H ASN 23 H ASN 23 12.811 4.338 -3.356 175 HA ASN 23 HA ASN 23 14.988 4.217 -5.218 176 HB2 ASN 23 2HB ASN 23 15.995 2.690 -3.611 177 HB3 ASN 23 1HB ASN 23 15.281 4.062 -2.769 178 HD21 ASN 23 1HD2 ASN 23 15.893 1.410 -1.768 179 HD22 ASN 23 2HD2 ASN 23 14.406 0.768 -1.170 180 H GLY 24 H GLY 24 12.040 2.581 -5.102 181 HA2 GLY 24 2HA GLY 24 11.542 1.174 -7.051 182 HA3 GLY 24 1HA GLY 24 13.113 0.427 -6.828 183 H GLU 25 H GLU 25 12.408 0.507 -3.774 184 HA GLU 25 HA GLU 25 11.369 -2.185 -3.743 185 HB2 GLU 25 2HB GLU 25 13.176 -1.436 -2.212 186 HB3 GLU 25 1HB GLU 25 12.030 -0.368 -1.412 187 HG2 GLU 25 2HG GLU 25 12.407 -2.450 -0.164 188 HG3 GLU 25 1HG GLU 25 10.725 -2.257 -0.657 189 H VAL 26 H VAL 26 9.473 -2.921 -2.699 190 HA VAL 26 HA VAL 26 7.245 -1.057 -2.922 191 HB VAL 26 HB VAL 26 7.242 -4.033 -2.374 192 HG11 VAL 26 1HG1 VAL 26 4.952 -2.183 -3.065 193 HG12 VAL 26 2HG1 VAL 26 5.235 -2.938 -1.498 194 HG13 VAL 26 3HG1 VAL 26 4.850 -3.935 -2.899 195 HG21 VAL 26 3HG2 VAL 26 8.119 -3.523 -4.586 196 HG22 VAL 26 1HG2 VAL 26 6.723 -2.498 -4.928 197 HG23 VAL 26 2HG2 VAL 26 6.512 -4.238 -4.719 198 H ILE 27 H ILE 27 6.639 0.099 -1.208 199 HA ILE 27 HA ILE 27 7.085 -0.887 1.500 200 HB ILE 27 HB ILE 27 6.025 1.373 2.135 201 HG12 ILE 27 2HG1 ILE 27 6.543 1.850 -0.816 202 HG13 ILE 27 1HG1 ILE 27 4.979 1.896 -0.011 203 HG21 ILE 27 1HG2 ILE 27 8.389 0.905 2.362 204 HG22 ILE 27 2HG2 ILE 27 8.155 2.548 1.766 205 HG23 ILE 27 3HG2 ILE 27 8.653 1.271 0.657 206 HD11 ILE 27 3HD1 ILE 27 7.267 3.801 0.421 207 HD12 ILE 27 1HD1 ILE 27 5.733 3.835 1.294 208 HD13 ILE 27 2HD1 ILE 27 5.767 4.129 -0.445 209 H LEU 28 H LEU 28 4.276 0.133 -0.481 210 HA LEU 28 HA LEU 28 2.554 -1.396 1.378 211 HG LEU 28 HG LEU 28 1.090 1.875 2.333 212 HB2 LEU 28 2HB LEU 28 2.057 1.295 0.115 213 HB3 LEU 28 1HB LEU 28 0.719 0.278 0.605 214 HD11 LEU 28 1HD1 LEU 28 2.217 -0.794 3.179 215 HD12 LEU 28 2HD1 LEU 28 0.511 -0.344 3.111 216 HD13 LEU 28 3HD1 LEU 28 1.585 0.448 4.263 217 HD21 LEU 28 3HD2 LEU 28 3.962 0.963 2.473 218 HD22 LEU 28 1HD2 LEU 28 3.193 2.191 3.477 219 HD23 LEU 28 2HD2 LEU 28 3.407 2.472 1.749 220 H THR 29 H THR 29 1.528 -3.022 0.470 221 HA THR 29 HA THR 29 0.743 -2.885 -2.379 222 HB THR 29 HB THR 29 1.378 -5.371 -0.752 223 HG1 THR 29 HG1 THR 29 3.182 -5.507 -2.175 224 HG21 THR 29 3HG2 THR 29 -0.363 -5.804 -2.419 225 HG22 THR 29 1HG2 THR 29 1.150 -6.573 -2.893 226 HG23 THR 29 2HG2 THR 29 0.639 -5.078 -3.674 227 H SER 30 H SER 30 -1.418 -2.988 -2.761 228 HA SER 30 HA SER 30 -3.201 -3.275 -0.473 229 HG SER 30 HG SER 30 -5.767 -1.705 -2.174 230 HB2 SER 30 2HB SER 30 -3.572 -1.448 -2.107 231 HB3 SER 30 1HB SER 30 -3.893 -2.651 -3.359 232 H GLU 31 H GLU 31 -5.419 -4.385 -1.121 233 HA GLU 31 HA GLU 31 -4.752 -7.184 -1.583 234 HB2 GLU 31 2HB GLU 31 -7.130 -7.573 -0.857 235 HB3 GLU 31 1HB GLU 31 -6.108 -6.784 0.338 236 HG2 GLU 31 2HG GLU 31 -7.096 -4.633 -0.190 237 HG3 GLU 31 1HG GLU 31 -8.063 -5.365 -1.469 238 H LEU 32 H LEU 32 -6.643 -8.457 -2.729 239 HA LEU 32 HA LEU 32 -6.566 -7.614 -5.470 240 HG LEU 32 HG LEU 32 -5.480 -10.132 -4.049 241 HB2 LEU 32 2HB LEU 32 -7.942 -9.949 -4.136 242 HB3 LEU 32 1HB LEU 32 -7.861 -9.713 -5.872 243 HD11 LEU 32 1HD1 LEU 32 -5.282 -12.306 -5.161 244 HD12 LEU 32 2HD1 LEU 32 -6.768 -11.989 -6.053 245 HD13 LEU 32 3HD1 LEU 32 -6.814 -12.161 -4.299 246 HD21 LEU 32 3HD2 LEU 32 -4.185 -10.304 -6.126 247 HD22 LEU 32 1HD2 LEU 32 -4.924 -8.711 -5.958 248 HD23 LEU 32 2HD2 LEU 32 -5.625 -9.897 -7.060 249 H TYR 33 H TYR 33 -7.889 -6.093 -6.253 250 HA TYR 33 HA TYR 33 -10.657 -5.835 -5.342 251 HD1 TYR 33 HD2 TYR 33 -7.167 -3.929 -5.893 252 HD2 TYR 33 HD1 TYR 33 -11.112 -2.768 -4.775 253 HE1 TYR 33 HE2 TYR 33 -6.243 -2.532 -4.095 254 HE2 TYR 33 HE1 TYR 33 -10.191 -1.366 -2.977 255 HH TYR 33 HH TYR 33 -8.133 -1.247 -1.606 256 HB2 TYR 33 2HB TYR 33 -9.092 -4.264 -7.411 257 HB3 TYR 33 1HB TYR 33 -10.723 -3.884 -6.876 258 H THR 34 H THR 34 -12.470 -5.927 -6.842 259 HA THR 34 HA THR 34 -12.143 -7.987 -8.876 260 HB THR 34 HB THR 34 -14.607 -7.855 -9.128 261 HG1 THR 34 HG1 THR 34 -15.785 -6.440 -7.842 262 HG21 THR 34 3HG2 THR 34 -13.682 -9.369 -7.457 263 HG22 THR 34 1HG2 THR 34 -15.189 -8.664 -6.869 264 HG23 THR 34 2HG2 THR 34 -13.643 -8.066 -6.269 265 H GLY 35 H GLY 35 -12.596 -4.521 -8.741 266 HA2 GLY 35 2HA GLY 35 -12.626 -4.454 -11.704 267 HA3 GLY 35 1HA GLY 35 -13.498 -3.294 -10.717 268 H LYS 36 H LYS 36 -11.205 -3.124 -12.764 269 HA LYS 36 HA LYS 36 -8.859 -2.270 -11.468 270 HB2 LYS 36 2HB LYS 36 -8.911 -2.786 -13.859 271 HB3 LYS 36 1HB LYS 36 -9.968 -1.411 -14.155 272 HG2 LYS 36 2HG LYS 36 -8.240 0.141 -13.632 273 HG3 LYS 36 1HG LYS 36 -7.208 -1.132 -12.985 274 HD2 LYS 36 2HD LYS 36 -6.398 -0.467 -15.162 275 HD3 LYS 36 1HD LYS 36 -7.027 -2.109 -15.247 276 HE2 LYS 36 2HE LYS 36 -8.733 0.250 -16.007 277 HE3 LYS 36 1HE LYS 36 -7.592 -0.453 -17.147 278 HZ1 LYS 36 3HZ LYS 36 -9.767 -1.389 -17.457 279 HZ2 LYS 36 1HZ LYS 36 -9.844 -1.876 -15.840 280 HZ3 LYS 36 2HZ LYS 36 -8.721 -2.586 -16.879 281 H SER 37 H SER 37 -11.752 -0.462 -12.432 282 HA SER 37 HA SER 37 -10.923 2.119 -11.722 283 HG SER 37 HG SER 37 -13.832 3.449 -12.108 284 HB2 SER 37 2HB SER 37 -13.020 1.708 -12.929 285 HB3 SER 37 1HB SER 37 -13.699 0.911 -11.514 286 H GLY 38 H GLY 38 -12.307 -0.463 -9.711 287 HA2 GLY 38 2HA GLY 38 -12.510 1.024 -7.304 288 HA3 GLY 38 1HA GLY 38 -12.424 -0.727 -7.428 289 H ALA 39 H ALA 39 -9.913 -1.055 -8.567 290 HA ALA 39 HA ALA 39 -8.137 -0.887 -6.426 291 HB1 ALA 39 3HB ALA 39 -7.817 -2.405 -8.317 292 HB2 ALA 39 1HB ALA 39 -6.376 -1.424 -8.048 293 HB3 ALA 39 2HB ALA 39 -7.475 -1.033 -9.372 294 H MET 40 H MET 40 -8.358 1.248 -9.291 295 HA MET 40 HA MET 40 -6.343 3.044 -8.442 296 HB2 MET 40 2HB MET 40 -8.682 3.526 -10.305 297 HB3 MET 40 1HB MET 40 -7.302 4.603 -10.119 298 HG2 MET 40 2HG MET 40 -5.829 2.704 -10.835 299 HG3 MET 40 1HG MET 40 -7.291 1.792 -11.206 300 HE1 MET 40 3HE MET 40 -9.172 4.181 -12.326 301 HE2 MET 40 1HE MET 40 -9.076 2.579 -13.060 302 HE3 MET 40 2HE MET 40 -8.869 4.022 -14.054 303 H ASN 41 H ASN 41 -9.859 3.010 -7.908 304 HA ASN 41 HA ASN 41 -10.141 5.407 -6.502 305 HB2 ASN 41 2HB ASN 41 -12.058 3.995 -7.125 306 HB3 ASN 41 1HB ASN 41 -11.530 2.759 -5.986 307 HD21 ASN 41 1HD2 ASN 41 -13.014 5.866 -6.345 308 HD22 ASN 41 2HD2 ASN 41 -13.572 6.009 -4.718 309 H GLY 42 H GLY 42 -9.060 2.221 -5.376 310 HA2 GLY 42 2HA GLY 42 -8.576 2.840 -2.685 311 HA3 GLY 42 1HA GLY 42 -7.704 1.632 -3.619 312 H ILE 43 H ILE 43 -6.557 3.357 -5.562 313 HA ILE 43 HA ILE 43 -4.246 4.290 -4.218 314 HB ILE 43 HB ILE 43 -5.247 4.948 -7.002 315 HG12 ILE 43 2HG1 ILE 43 -3.199 2.928 -6.041 316 HG13 ILE 43 1HG1 ILE 43 -4.823 2.549 -6.604 317 HG21 ILE 43 1HG2 ILE 43 -2.521 5.406 -5.786 318 HG22 ILE 43 2HG2 ILE 43 -3.673 6.648 -6.281 319 HG23 ILE 43 3HG2 ILE 43 -2.923 5.609 -7.492 320 HD11 ILE 43 3HD1 ILE 43 -4.238 3.393 -8.829 321 HD12 ILE 43 1HD1 ILE 43 -3.179 2.081 -8.317 322 HD13 ILE 43 2HD1 ILE 43 -2.606 3.748 -8.256 323 H GLU 44 H GLU 44 -7.048 6.045 -5.558 324 HA GLU 44 HA GLU 44 -6.252 8.642 -4.830 325 HB2 GLU 44 2HB GLU 44 -9.062 7.519 -5.018 326 HB3 GLU 44 1HB GLU 44 -8.647 9.229 -4.986 327 HG2 GLU 44 2HG GLU 44 -7.375 8.914 -7.094 328 HG3 GLU 44 1HG GLU 44 -7.927 7.241 -7.135 329 H SER 45 H SER 45 -8.017 6.154 -3.018 330 HA SER 45 HA SER 45 -8.470 7.635 -0.660 331 HG SER 45 HG SER 45 -9.903 5.466 -2.082 332 HB2 SER 45 2HB SER 45 -8.060 4.649 -1.019 333 HB3 SER 45 1HB SER 45 -8.636 5.405 0.467 334 H VAL 46 H VAL 46 -5.677 5.713 -1.717 335 HA VAL 46 HA VAL 46 -4.090 6.025 0.594 336 HB VAL 46 HB VAL 46 -3.223 5.729 -2.296 337 HG11 VAL 46 1HG1 VAL 46 -1.590 5.409 0.232 338 HG12 VAL 46 2HG1 VAL 46 -1.407 6.683 -0.972 339 HG13 VAL 46 3HG1 VAL 46 -1.046 5.012 -1.399 340 HG21 VAL 46 3HG2 VAL 46 -2.870 3.369 -1.702 341 HG22 VAL 46 1HG2 VAL 46 -4.553 3.847 -1.484 342 HG23 VAL 46 2HG2 VAL 46 -3.495 3.684 -0.082 343 H GLN 47 H GLN 47 -4.411 8.062 -2.311 344 HA GLN 47 HA GLN 47 -2.516 10.022 -1.687 345 HB2 GLN 47 2HB GLN 47 -5.157 10.318 -3.140 346 HB3 GLN 47 1HB GLN 47 -3.888 11.535 -3.129 347 HG2 GLN 47 2HG GLN 47 -3.604 8.744 -4.229 348 HG3 GLN 47 1HG GLN 47 -3.915 10.190 -5.187 349 HE21 GLN 47 1HE2 GLN 47 -1.679 8.359 -5.326 350 HE22 GLN 47 2HE2 GLN 47 -0.261 9.290 -5.045 351 H THR 48 H THR 48 -5.831 9.628 -0.562 352 HA THR 48 HA THR 48 -5.973 12.151 0.810 353 HB THR 48 HB THR 48 -7.669 9.674 1.242 354 HG1 THR 48 HG1 THR 48 -8.220 11.934 -0.410 355 HG21 THR 48 3HG2 THR 48 -8.193 12.579 1.911 356 HG22 THR 48 1HG2 THR 48 -7.884 11.286 3.067 357 HG23 THR 48 2HG2 THR 48 -9.354 11.264 2.092 358 H ASN 49 H ASN 49 -5.366 8.804 1.849 359 HA ASN 49 HA ASN 49 -5.251 9.530 4.639 360 HB2 ASN 49 2HB ASN 49 -4.680 6.887 3.284 361 HB3 ASN 49 1HB ASN 49 -4.831 7.136 5.023 362 HD21 ASN 49 1HD2 ASN 49 -6.425 5.423 3.349 363 HD22 ASN 49 2HD2 ASN 49 -8.052 5.968 3.492 364 H SER 50 H SER 50 -2.882 9.010 2.118 365 HA SER 50 HA SER 50 -0.629 8.230 3.483 366 HG SER 50 HG SER 50 1.496 8.688 1.789 367 HB2 SER 50 2HB SER 50 -0.551 8.434 1.087 368 HB3 SER 50 1HB SER 50 -0.817 10.174 1.168 369 HA PRO 51 HA PRO 51 0.496 12.676 4.857 370 HB2 PRO 51 2HB PRO 51 -1.172 14.739 4.508 371 HB3 PRO 51 1HB PRO 51 -0.156 14.150 3.185 372 HG2 PRO 51 2HG PRO 51 -3.059 13.602 3.728 373 HG3 PRO 51 1HG PRO 51 -2.267 14.024 2.196 374 HD2 PRO 51 2HD PRO 51 -2.904 11.454 2.921 375 HD3 PRO 51 1HD PRO 51 -1.577 11.864 1.817 376 H ILE 52 H ILE 52 -2.127 10.919 5.744 377 HA ILE 52 HA ILE 52 -2.631 12.520 8.183 378 HB ILE 52 HB ILE 52 -4.596 10.705 6.762 379 HG12 ILE 52 2HG1 ILE 52 -4.528 13.727 7.040 380 HG13 ILE 52 1HG1 ILE 52 -4.242 12.819 5.558 381 HG21 ILE 52 1HG2 ILE 52 -4.944 12.407 9.238 382 HG22 ILE 52 2HG2 ILE 52 -4.917 10.644 9.174 383 HG23 ILE 52 3HG2 ILE 52 -6.234 11.534 8.409 384 HD11 ILE 52 3HD1 ILE 52 -6.549 12.000 5.627 385 HD12 ILE 52 1HD1 ILE 52 -6.467 13.763 5.579 386 HD13 ILE 52 2HD1 ILE 52 -6.827 12.940 7.095 387 H GLU 53 H GLU 53 -1.358 11.526 9.683 388 HA GLU 53 HA GLU 53 -0.818 8.765 9.818 389 HB2 GLU 53 2HB GLU 53 0.605 10.439 10.904 390 HB3 GLU 53 1HB GLU 53 -0.694 10.843 12.019 391 HG2 GLU 53 2HG GLU 53 -0.589 8.583 12.964 392 HG3 GLU 53 1HG GLU 53 0.707 8.176 11.839 393 H ALA 54 H ALA 54 -3.544 10.611 10.972 394 HA ALA 54 HA ALA 54 -4.507 8.921 12.980 395 HB1 ALA 54 3HB ALA 54 -6.662 9.963 12.639 396 HB2 ALA 54 1HB ALA 54 -6.152 10.560 11.059 397 HB3 ALA 54 2HB ALA 54 -5.381 11.172 12.524 398 H ARG 55 H ARG 55 -4.199 8.187 9.679 399 HA ARG 55 HA ARG 55 -6.247 6.062 9.810 400 HE ARG 55 HE ARG 55 -8.840 9.394 7.360 401 HB2 ARG 55 2HB ARG 55 -4.641 6.936 7.395 402 HB3 ARG 55 1HB ARG 55 -6.074 5.917 7.410 403 HG2 ARG 55 2HG ARG 55 -5.947 8.857 8.080 404 HG3 ARG 55 1HG ARG 55 -6.631 8.135 6.624 405 HD2 ARG 55 2HD ARG 55 -8.365 7.058 7.939 406 HD3 ARG 55 1HD ARG 55 -7.648 7.662 9.433 407 HH11 ARG 55 1HH1 ARG 55 -8.218 8.636 10.666 408 HH12 ARG 55 2HH1 ARG 55 -9.001 10.058 11.252 409 HH21 ARG 55 1HH2 ARG 55 -9.858 11.216 8.132 410 HH22 ARG 55 2HH2 ARG 55 -9.907 11.506 9.838 411 H TYR 56 H TYR 56 -3.538 6.102 11.124 412 HA TYR 56 HA TYR 56 -1.755 4.397 9.723 413 HD1 TYR 56 HD2 TYR 56 -3.145 6.591 13.027 414 HD2 TYR 56 HD1 TYR 56 -0.845 3.055 13.626 415 HE1 TYR 56 HE2 TYR 56 -4.096 6.360 15.278 416 HE2 TYR 56 HE1 TYR 56 -1.797 2.817 15.880 417 HH TYR 56 HH TYR 56 -2.864 4.117 17.582 418 HB2 TYR 56 2HB TYR 56 -0.422 4.419 11.711 419 HB3 TYR 56 1HB TYR 56 -1.145 6.019 11.568 420 H ALA 57 H ALA 57 -1.153 2.248 10.146 421 HA ALA 57 HA ALA 57 -2.546 0.800 12.283 422 HB1 ALA 57 3HB ALA 57 -2.198 -0.313 9.493 423 HB2 ALA 57 1HB ALA 57 -3.725 0.202 10.212 424 HB3 ALA 57 2HB ALA 57 -2.856 -1.179 10.884 425 H LYS 58 H LYS 58 -0.776 0.671 13.583 426 HA LYS 58 HA LYS 58 1.748 -0.387 12.470 427 HB2 LYS 58 2HB LYS 58 1.269 0.999 15.129 428 HB3 LYS 58 1HB LYS 58 2.832 0.555 14.455 429 HG2 LYS 58 2HG LYS 58 2.711 2.226 12.791 430 HG3 LYS 58 1HG LYS 58 0.981 2.464 13.039 431 HD2 LYS 58 2HD LYS 58 2.004 4.332 14.050 432 HD3 LYS 58 1HD LYS 58 1.578 3.268 15.387 433 HE2 LYS 58 2HE LYS 58 3.746 4.004 15.890 434 HE3 LYS 58 1HE LYS 58 3.985 2.394 15.216 435 HZ1 LYS 58 3HZ LYS 58 4.604 3.380 13.120 436 HZ2 LYS 58 1HZ LYS 58 5.563 4.038 14.343 437 HZ3 LYS 58 2HZ LYS 58 4.283 4.933 13.698 438 H GLU 59 H GLU 59 2.034 -2.544 12.775 439 HA GLU 59 HA GLU 59 0.921 -3.787 15.204 440 HB2 GLU 59 2HB GLU 59 -0.650 -3.956 13.227 441 HB3 GLU 59 1HB GLU 59 0.568 -4.942 12.430 442 HG2 GLU 59 2HG GLU 59 0.377 -6.636 14.148 443 HG3 GLU 59 1HG GLU 59 -0.749 -5.627 15.056 444 H VAL 60 H VAL 60 1.643 -6.162 15.360 445 HA VAL 60 HA VAL 60 4.333 -6.592 14.228 446 HB VAL 60 HB VAL 60 3.511 -7.151 17.095 447 HG11 VAL 60 1HG1 VAL 60 6.138 -7.657 15.686 448 HG12 VAL 60 2HG1 VAL 60 5.013 -8.878 16.285 449 HG13 VAL 60 3HG1 VAL 60 5.863 -7.828 17.421 450 HG21 VAL 60 3HG2 VAL 60 5.202 -5.473 17.699 451 HG22 VAL 60 1HG2 VAL 60 3.921 -4.778 16.704 452 HG23 VAL 60 2HG2 VAL 60 5.491 -5.147 15.989 453 H ALA 61 H ALA 61 4.656 -8.610 13.410 454 HA ALA 61 HA ALA 61 2.478 -10.440 13.190 455 HB1 ALA 61 3HB ALA 61 4.129 -10.164 11.403 456 HB2 ALA 61 1HB ALA 61 4.040 -11.843 11.937 457 HB3 ALA 61 2HB ALA 61 5.384 -10.822 12.454 458 H LYS 62 H LYS 62 2.536 -12.719 13.817 459 HA LYS 62 HA LYS 62 3.001 -13.074 16.570 460 HB2 LYS 62 2HB LYS 62 2.275 -14.938 14.326 461 HB3 LYS 62 1HB LYS 62 2.631 -15.586 15.922 462 HG2 LYS 62 2HG LYS 62 0.221 -15.260 15.550 463 HG3 LYS 62 1HG LYS 62 0.830 -14.305 16.902 464 HD2 LYS 62 2HD LYS 62 0.974 -12.342 15.334 465 HD3 LYS 62 1HD LYS 62 0.156 -13.327 14.121 466 HE2 LYS 62 2HE LYS 62 -0.965 -12.683 16.849 467 HE3 LYS 62 1HE LYS 62 -1.360 -11.802 15.374 468 HZ1 LYS 62 3HZ LYS 62 -2.992 -13.536 16.009 469 HZ2 LYS 62 1HZ LYS 62 -1.811 -14.713 15.723 470 HZ3 LYS 62 2HZ LYS 62 -2.355 -13.736 14.455 471 H ASN 63 H ASN 63 5.141 -13.437 13.910 472 HA ASN 63 HA ASN 63 7.089 -15.040 15.340 473 HB2 ASN 63 2HB ASN 63 7.213 -13.499 12.737 474 HB3 ASN 63 1HB ASN 63 8.557 -14.439 13.375 475 HD21 ASN 63 1HD2 ASN 63 6.992 -16.606 14.385 476 HD22 ASN 63 2HD2 ASN 63 6.416 -17.474 13.015 477 H ASP 64 H ASP 64 6.075 -12.181 16.172 478 HA ASP 64 HA ASP 64 6.881 -10.367 17.268 479 HB2 ASP 64 2HB ASP 64 8.213 -12.039 18.511 480 HB3 ASP 64 1HB ASP 64 9.493 -11.909 17.312 481 H LYS 65 H LYS 65 7.161 -10.777 14.286 482 HA LYS 65 HA LYS 65 9.312 -8.883 13.638 483 HB2 LYS 65 2HB LYS 65 7.602 -10.588 11.807 484 HB3 LYS 65 1HB LYS 65 8.969 -9.595 11.313 485 HG2 LYS 65 2HG LYS 65 10.500 -10.979 12.555 486 HG3 LYS 65 1HG LYS 65 9.168 -11.906 13.245 487 HD2 LYS 65 2HD LYS 65 10.175 -13.180 11.454 488 HD3 LYS 65 1HD LYS 65 8.562 -12.662 10.965 489 HE2 LYS 65 2HE LYS 65 9.482 -10.881 9.617 490 HE3 LYS 65 1HE LYS 65 11.111 -11.241 10.189 491 HZ1 LYS 65 3HZ LYS 65 9.427 -13.131 8.643 492 HZ2 LYS 65 1HZ LYS 65 11.043 -13.352 9.096 493 HZ3 LYS 65 2HZ LYS 65 10.637 -12.154 7.973 494 HA PRO 66 HA PRO 66 5.949 -5.897 13.613 495 HB2 PRO 66 2HB PRO 66 7.447 -3.665 13.324 496 HB3 PRO 66 1HB PRO 66 7.368 -4.563 14.845 497 HG2 PRO 66 2HG PRO 66 9.468 -4.647 12.702 498 HG3 PRO 66 1HG PRO 66 9.672 -4.561 14.464 499 HD2 PRO 66 2HD PRO 66 9.894 -6.888 13.073 500 HD3 PRO 66 1HD PRO 66 9.300 -6.824 14.746 501 H TYR 67 H TYR 67 4.753 -4.799 12.118 502 HA TYR 67 HA TYR 67 5.850 -3.785 9.664 503 HD1 TYR 67 HD2 TYR 67 4.323 -7.170 11.231 504 HD2 TYR 67 HD1 TYR 67 2.293 -5.617 7.823 505 HE1 TYR 67 HE2 TYR 67 2.324 -8.465 11.835 506 HE2 TYR 67 HE1 TYR 67 0.293 -6.911 8.418 507 HH TYR 67 HH TYR 67 -0.208 -8.255 11.393 508 HB2 TYR 67 2HB TYR 67 4.534 -5.107 8.114 509 HB3 TYR 67 1HB TYR 67 5.527 -6.187 9.084 510 H PHE 68 H PHE 68 3.714 -3.100 8.219 511 HA PHE 68 HA PHE 68 1.654 -2.126 10.045 512 HD1 PHE 68 HD2 PHE 68 5.360 -0.862 8.637 513 HD2 PHE 68 HD1 PHE 68 1.825 1.020 7.179 514 HE1 PHE 68 HE2 PHE 68 6.595 -0.065 6.667 515 HE2 PHE 68 HE1 PHE 68 3.060 1.813 5.209 516 HZ PHE 68 HZ PHE 68 5.447 1.272 4.950 517 HB2 PHE 68 2HB PHE 68 1.910 0.206 9.409 518 HB3 PHE 68 1HB PHE 68 3.406 -0.392 10.112 519 H ASN 69 H ASN 69 -0.062 -0.891 8.891 520 HA ASN 69 HA ASN 69 -0.417 -1.682 6.082 521 HB2 ASN 69 2HB ASN 69 -2.438 -2.138 8.299 522 HB3 ASN 69 1HB ASN 69 -2.816 -2.255 6.585 523 HD21 ASN 69 1HD2 ASN 69 -1.226 -3.748 9.269 524 HD22 ASN 69 2HD2 ASN 69 -0.899 -5.254 8.493 525 H LEU 70 H LEU 70 -2.005 -0.395 4.948 526 HA LEU 70 HA LEU 70 -2.646 2.174 6.254 527 HG LEU 70 HG LEU 70 -3.894 3.485 3.690 528 HB2 LEU 70 2HB LEU 70 -1.147 2.358 4.290 529 HB3 LEU 70 1HB LEU 70 -2.368 1.583 3.296 530 HD11 LEU 70 1HD1 LEU 70 -1.560 4.712 5.163 531 HD12 LEU 70 2HD1 LEU 70 -3.076 4.170 5.886 532 HD13 LEU 70 3HD1 LEU 70 -3.074 5.523 4.756 533 HD21 LEU 70 3HD2 LEU 70 -1.177 4.307 2.652 534 HD22 LEU 70 1HD2 LEU 70 -2.706 5.122 2.321 535 HD23 LEU 70 2HD2 LEU 70 -2.434 3.485 1.727 536 H LYS 71 H LYS 71 -4.744 2.707 6.491 537 HA LYS 71 HA LYS 71 -6.752 0.878 5.322 538 HB2 LYS 71 2HB LYS 71 -6.800 2.267 8.012 539 HB3 LYS 71 1HB LYS 71 -8.093 1.264 7.365 540 HG2 LYS 71 2HG LYS 71 -6.621 -0.680 7.391 541 HG3 LYS 71 1HG LYS 71 -5.295 0.322 7.991 542 HD2 LYS 71 2HD LYS 71 -6.601 0.822 10.019 543 HD3 LYS 71 1HD LYS 71 -7.914 -0.194 9.418 544 HE2 LYS 71 2HE LYS 71 -6.487 -2.152 9.507 545 HE3 LYS 71 1HE LYS 71 -5.108 -1.161 9.984 546 HZ1 LYS 71 3HZ LYS 71 -7.585 -1.596 11.563 547 HZ2 LYS 71 1HZ LYS 71 -6.312 -0.577 12.014 548 HZ3 LYS 71 2HZ LYS 71 -6.058 -2.243 11.893 549 H ALA 72 H ALA 72 -8.789 1.713 4.770 550 HA ALA 72 HA ALA 72 -8.938 4.591 4.271 551 HB1 ALA 72 3HB ALA 72 -9.658 3.066 2.501 552 HB2 ALA 72 1HB ALA 72 -11.002 4.063 3.058 553 HB3 ALA 72 2HB ALA 72 -10.877 2.382 3.574 554 H ALA 73 H ALA 73 -11.330 5.479 4.689 555 HA ALA 73 HA ALA 73 -11.561 5.955 7.389 556 HB1 ALA 73 3HB ALA 73 -13.771 6.079 5.341 557 HB2 ALA 73 1HB ALA 73 -12.608 7.354 5.706 558 HB3 ALA 73 2HB ALA 73 -13.788 6.864 6.921 559 H ASN 74 H ASN 74 -13.300 3.445 5.546 560 HA ASN 74 HA ASN 74 -14.778 2.588 7.887 561 HB2 ASN 74 2HB ASN 74 -15.694 2.551 5.531 562 HB3 ASN 74 1HB ASN 74 -14.623 1.191 5.206 563 HD21 ASN 74 1HD2 ASN 74 -15.148 -0.824 6.019 564 HD22 ASN 74 2HD2 ASN 74 -16.646 -1.154 6.806 565 H HIS 75 H HIS 75 -11.716 2.343 7.618 566 HA HIS 75 HA HIS 75 -10.200 1.109 8.783 567 HD1 HIS 75 HD1 HIS 75 -10.351 0.972 12.095 568 HD2 HIS 75 HD2 HIS 75 -13.985 1.840 10.268 569 HE1 HIS 75 HE1 HIS 75 -11.389 2.790 13.481 570 HE2 HIS 75 HE2 HIS 75 -13.587 3.289 12.374 571 HB2 HIS 75 2HB HIS 75 -12.584 -0.571 9.597 572 HB3 HIS 75 1HB HIS 75 -10.974 -0.694 10.298 573 H GLN 76 H GLN 76 -11.366 0.284 6.021 574 HA GLN 76 HA GLN 76 -10.696 -2.521 5.833 575 HB2 GLN 76 2HB GLN 76 -11.298 -2.298 3.496 576 HB3 GLN 76 1HB GLN 76 -12.510 -1.506 4.496 577 HG2 GLN 76 2HG GLN 76 -11.058 0.631 4.018 578 HG3 GLN 76 1HG GLN 76 -10.497 -0.318 2.645 579 HE21 GLN 76 1HE2 GLN 76 -13.179 1.316 4.086 580 HE22 GLN 76 2HE2 GLN 76 -14.202 1.288 2.695 581 H ILE 77 H ILE 77 -8.976 -3.405 4.601 582 HA ILE 77 HA ILE 77 -6.527 -1.901 4.813 583 HB ILE 77 HB ILE 77 -7.021 -4.685 3.726 584 HG12 ILE 77 2HG1 ILE 77 -7.601 -4.481 6.102 585 HG13 ILE 77 1HG1 ILE 77 -6.148 -5.451 5.900 586 HG21 ILE 77 1HG2 ILE 77 -4.425 -3.306 4.426 587 HG22 ILE 77 2HG2 ILE 77 -4.963 -3.790 2.817 588 HG23 ILE 77 3HG2 ILE 77 -4.595 -5.017 4.029 589 HD11 ILE 77 3HD1 ILE 77 -5.941 -3.953 7.794 590 HD12 ILE 77 1HD1 ILE 77 -6.242 -2.564 6.750 591 HD13 ILE 77 2HD1 ILE 77 -4.778 -3.525 6.539 592 H ILE 78 H ILE 78 -6.063 -0.413 3.300 593 HA ILE 78 HA ILE 78 -6.432 -1.121 0.454 594 HB ILE 78 HB ILE 78 -6.208 1.263 -0.069 595 HG12 ILE 78 2HG1 ILE 78 -6.102 1.688 2.936 596 HG13 ILE 78 1HG1 ILE 78 -4.742 1.888 1.837 597 HG21 ILE 78 1HG2 ILE 78 -8.433 0.340 0.343 598 HG22 ILE 78 2HG2 ILE 78 -8.344 2.021 0.860 599 HG23 ILE 78 3HG2 ILE 78 -8.289 0.728 2.057 600 HD11 ILE 78 3HD1 ILE 78 -5.671 4.026 2.405 601 HD12 ILE 78 1HD1 ILE 78 -7.273 3.516 1.875 602 HD13 ILE 78 2HD1 ILE 78 -5.968 3.693 0.700 603 H GLY 79 H GLY 79 -4.125 -1.079 2.833 604 HA2 GLY 79 2HA GLY 79 -2.028 -1.489 0.860 605 HA3 GLY 79 1HA GLY 79 -1.774 -0.122 1.936 606 H THR 80 H THR 80 -0.441 -2.857 1.556 607 HA THR 80 HA THR 80 -0.221 -3.447 4.442 608 HB THR 80 HB THR 80 -0.341 -5.540 2.245 609 HG1 THR 80 HG1 THR 80 -2.139 -4.975 4.395 610 HG21 THR 80 3HG2 THR 80 1.231 -6.193 3.998 611 HG22 THR 80 1HG2 THR 80 -0.228 -7.179 4.085 612 HG23 THR 80 2HG2 THR 80 0.014 -5.862 5.234 613 H SER 81 H SER 81 1.873 -3.584 5.156 614 HA SER 81 HA SER 81 4.002 -3.229 3.181 615 HG SER 81 HG SER 81 5.014 -4.181 6.500 616 HB2 SER 81 2HB SER 81 5.417 -2.594 4.990 617 HB3 SER 81 1HB SER 81 3.847 -1.871 5.340 618 H GLN 82 H GLN 82 6.088 -4.430 3.540 619 HA GLN 82 HA GLN 82 5.682 -7.261 3.719 620 HB2 GLN 82 2HB GLN 82 8.133 -7.414 3.429 621 HB3 GLN 82 1HB GLN 82 7.392 -6.365 2.228 622 HG2 GLN 82 2HG GLN 82 8.134 -4.396 3.436 623 HG3 GLN 82 1HG GLN 82 8.793 -5.407 4.722 624 HE21 GLN 82 1HE2 GLN 82 10.709 -6.523 4.364 625 HE22 GLN 82 2HE2 GLN 82 11.744 -6.175 3.026 626 H MET 83 H MET 83 6.720 -8.691 5.264 627 HA MET 83 HA MET 83 6.558 -7.838 7.974 628 HB2 MET 83 2HB MET 83 7.528 -10.110 8.477 629 HB3 MET 83 1HB MET 83 6.073 -10.128 7.490 630 HG2 MET 83 2HG MET 83 7.452 -10.435 5.482 631 HG3 MET 83 1HG MET 83 8.898 -10.455 6.490 632 HE1 MET 83 3HE MET 83 9.506 -12.784 5.269 633 HE2 MET 83 1HE MET 83 7.985 -12.773 4.375 634 HE3 MET 83 2HE MET 83 8.456 -14.199 5.299 635 H TYR 84 H TYR 84 7.979 -6.408 8.808 636 HA TYR 84 HA TYR 84 10.719 -6.290 7.862 637 HD1 TYR 84 HD2 TYR 84 11.379 -3.630 7.091 638 HD2 TYR 84 HD1 TYR 84 7.418 -3.862 8.638 639 HE1 TYR 84 HE2 TYR 84 10.584 -2.195 5.262 640 HE2 TYR 84 HE1 TYR 84 6.618 -2.425 6.813 641 HH TYR 84 HH TYR 84 8.516 -1.682 4.078 642 HB2 TYR 84 2HB TYR 84 9.257 -4.647 9.943 643 HB3 TYR 84 1HB TYR 84 10.917 -4.359 9.440 644 H SER 85 H SER 85 12.516 -6.083 9.434 645 HA SER 85 HA SER 85 12.384 -8.218 11.443 646 HG SER 85 HG SER 85 15.633 -7.651 12.069 647 HB2 SER 85 2HB SER 85 14.219 -8.294 9.775 648 HB3 SER 85 1HB SER 85 14.795 -6.731 10.352 649 H SER 86 H SER 86 13.029 -4.761 11.140 650 HA SER 86 HA SER 86 13.218 -4.559 14.089 651 HG SER 86 HG SER 86 15.223 -2.541 11.283 652 HB2 SER 86 2HB SER 86 14.572 -2.555 13.798 653 HB3 SER 86 1HB SER 86 15.298 -3.884 12.894 654 H THR 87 H THR 87 12.065 -2.928 15.148 655 HA THR 87 HA THR 87 9.633 -2.039 13.996 656 HB THR 87 HB THR 87 9.297 -0.688 15.974 657 HG1 THR 87 HG1 THR 87 11.266 -0.773 17.511 658 HG21 THR 87 3HG2 THR 87 9.055 -3.105 16.295 659 HG22 THR 87 1HG2 THR 87 9.670 -2.338 17.760 660 HG23 THR 87 2HG2 THR 87 10.765 -3.232 16.707 661 H ALA 88 H ALA 88 12.803 -0.571 14.309 662 HA ALA 88 HA ALA 88 12.249 2.053 13.533 663 HB1 ALA 88 3HB ALA 88 14.600 2.186 12.870 664 HB2 ALA 88 1HB ALA 88 14.722 0.427 12.918 665 HB3 ALA 88 2HB ALA 88 14.425 1.331 14.401 666 H ALA 89 H ALA 89 13.145 -0.734 11.463 667 HA ALA 89 HA ALA 89 12.993 0.594 8.993 668 HB1 ALA 89 3HB ALA 89 12.825 -1.624 7.988 669 HB2 ALA 89 1HB ALA 89 12.434 -2.320 9.563 670 HB3 ALA 89 2HB ALA 89 14.026 -1.614 9.280 671 H ARG 90 H ARG 90 10.488 -0.987 10.919 672 HA ARG 90 HA ARG 90 8.358 -0.879 9.097 673 HE ARG 90 HE ARG 90 6.826 -0.059 13.522 674 HB2 ARG 90 2HB ARG 90 8.229 -2.123 11.197 675 HB3 ARG 90 1HB ARG 90 8.329 -0.628 12.117 676 HG2 ARG 90 2HG ARG 90 6.172 0.083 11.110 677 HG3 ARG 90 1HG ARG 90 6.063 -1.489 10.317 678 HD2 ARG 90 2HD ARG 90 4.737 -1.465 12.357 679 HD3 ARG 90 1HD ARG 90 6.089 -2.587 12.518 680 HH11 ARG 90 1HH1 ARG 90 4.814 -2.752 14.339 681 HH12 ARG 90 2HH1 ARG 90 4.942 -2.451 16.039 682 HH21 ARG 90 1HH2 ARG 90 6.970 0.295 15.684 683 HH22 ARG 90 2HH2 ARG 90 6.143 -0.750 16.789 684 H ASP 91 H ASP 91 9.270 1.515 11.613 685 HA ASP 91 HA ASP 91 7.264 3.389 10.823 686 HB2 ASP 91 2HB ASP 91 8.418 3.212 13.104 687 HB3 ASP 91 1HB ASP 91 9.764 4.084 12.373 688 H ASN 92 H ASN 92 10.625 2.879 9.898 689 HA ASN 92 HA ASN 92 11.032 5.171 8.325 690 HB2 ASN 92 2HB ASN 92 12.047 2.338 8.086 691 HB3 ASN 92 1HB ASN 92 12.480 3.563 6.896 692 HD21 ASN 92 1HD2 ASN 92 14.654 3.312 7.510 693 HD22 ASN 92 2HD2 ASN 92 15.266 4.015 8.963 694 H GLY 93 H GLY 93 9.504 2.061 7.493 695 HA2 GLY 93 2HA GLY 93 8.807 2.617 4.836 696 HA3 GLY 93 1HA GLY 93 7.928 1.531 5.905 697 H ILE 94 H ILE 94 6.935 3.212 7.816 698 HA ILE 94 HA ILE 94 4.695 4.421 6.687 699 HB ILE 94 HB ILE 94 6.015 5.110 9.325 700 HG12 ILE 94 2HG1 ILE 94 3.804 3.135 8.678 701 HG13 ILE 94 1HG1 ILE 94 5.462 2.715 9.095 702 HG21 ILE 94 1HG2 ILE 94 3.786 5.902 10.012 703 HG22 ILE 94 2HG2 ILE 94 3.187 5.619 8.377 704 HG23 ILE 94 3HG2 ILE 94 4.430 6.839 8.663 705 HD11 ILE 94 3HD1 ILE 94 3.972 2.404 10.978 706 HD12 ILE 94 1HD1 ILE 94 3.480 4.095 10.895 707 HD13 ILE 94 2HD1 ILE 94 5.143 3.680 11.316 708 H LYS 95 H LYS 95 7.730 5.975 7.761 709 HA LYS 95 HA LYS 95 7.061 8.576 6.893 710 HB2 LYS 95 2HB LYS 95 9.733 7.234 7.328 711 HB3 LYS 95 1HB LYS 95 9.579 8.931 6.892 712 HG2 LYS 95 2HG LYS 95 8.224 9.296 8.941 713 HG3 LYS 95 1HG LYS 95 8.505 7.613 9.391 714 HD2 LYS 95 2HD LYS 95 10.744 9.578 8.886 715 HD3 LYS 95 1HD LYS 95 10.020 9.341 10.477 716 HE2 LYS 95 2HE LYS 95 11.234 7.104 8.854 717 HE3 LYS 95 1HE LYS 95 12.137 8.042 10.042 718 HZ1 LYS 95 3HZ LYS 95 10.600 7.319 11.745 719 HZ2 LYS 95 1HZ LYS 95 11.284 5.980 10.979 720 HZ3 LYS 95 2HZ LYS 95 9.697 6.445 10.621 721 H SER 96 H SER 96 8.385 5.803 5.192 722 HA SER 96 HA SER 96 9.222 7.180 2.848 723 HG SER 96 HG SER 96 10.352 4.712 4.364 724 HB2 SER 96 2HB SER 96 8.510 4.260 3.248 725 HB3 SER 96 1HB SER 96 9.228 4.914 1.776 726 H VAL 97 H VAL 97 6.135 5.665 3.768 727 HA VAL 97 HA VAL 97 4.965 6.132 1.177 728 HB VAL 97 HB VAL 97 4.122 4.290 2.515 729 HG11 VAL 97 1HG1 VAL 97 3.162 6.380 4.467 730 HG12 VAL 97 2HG1 VAL 97 4.412 5.166 4.745 731 HG13 VAL 97 3HG1 VAL 97 2.737 4.667 4.510 732 HG21 VAL 97 3HG2 VAL 97 1.717 4.698 2.279 733 HG22 VAL 97 1HG2 VAL 97 2.613 5.307 0.889 734 HG23 VAL 97 2HG2 VAL 97 2.023 6.426 2.116 735 H MET 98 H MET 98 5.116 7.951 4.197 736 HA MET 98 HA MET 98 3.273 9.974 3.341 737 HB2 MET 98 2HB MET 98 5.454 10.055 5.441 738 HB3 MET 98 1HB MET 98 4.305 11.356 5.162 739 HG2 MET 98 2HG MET 98 2.469 9.719 5.639 740 HG3 MET 98 1HG MET 98 3.710 8.568 6.127 741 HE1 MET 98 3HE MET 98 5.843 10.512 7.543 742 HE2 MET 98 1HE MET 98 5.345 8.950 8.192 743 HE3 MET 98 2HE MET 98 5.309 10.383 9.219 744 H GLU 99 H GLU 99 6.676 9.392 2.823 745 HA GLU 99 HA GLU 99 7.219 11.970 1.649 746 HB2 GLU 99 2HB GLU 99 8.732 9.375 1.853 747 HB3 GLU 99 1HB GLU 99 9.330 10.680 0.839 748 HG2 GLU 99 2HG GLU 99 8.690 11.103 3.747 749 HG3 GLU 99 1HG GLU 99 10.252 10.483 3.212 750 H ASN 100 H ASN 100 6.998 8.668 0.283 751 HA ASN 100 HA ASN 100 6.995 9.799 -2.417 752 HB2 ASN 100 2HB ASN 100 7.216 6.913 -1.520 753 HB3 ASN 100 1HB ASN 100 7.427 7.502 -3.169 754 HD21 ASN 100 1HD2 ASN 100 8.797 7.341 0.006 755 HD22 ASN 100 2HD2 ASN 100 10.388 7.844 -0.434 756 H GLY 101 H GLY 101 4.782 8.307 -0.200 757 HA2 GLY 101 2HA GLY 101 3.083 6.918 -1.930 758 HA3 GLY 101 1HA GLY 101 2.605 7.591 -0.384 759 H LYS 102 H LYS 102 3.038 10.352 -1.096 760 HA LYS 102 HA LYS 102 0.554 10.852 -2.463 761 HB2 LYS 102 2HB LYS 102 1.135 13.268 -2.018 762 HB3 LYS 102 1HB LYS 102 1.035 12.239 -0.596 763 HG2 LYS 102 2HG LYS 102 3.560 12.027 -0.732 764 HG3 LYS 102 1HG LYS 102 3.508 13.328 -1.924 765 HD2 LYS 102 2HD LYS 102 2.483 14.817 -0.308 766 HD3 LYS 102 1HD LYS 102 2.372 13.511 0.873 767 HE2 LYS 102 2HE LYS 102 4.896 13.359 0.763 768 HE3 LYS 102 1HE LYS 102 4.863 14.853 -0.175 769 HZ1 LYS 102 3HZ LYS 102 3.795 15.964 1.670 770 HZ2 LYS 102 1HZ LYS 102 5.240 15.254 2.190 771 HZ3 LYS 102 2HZ LYS 102 3.763 14.530 2.564 772 H THR 103 H THR 103 2.274 9.563 -4.202 773 HA THR 103 HA THR 103 3.164 11.598 -6.138 774 HB THR 103 HB THR 103 4.809 9.853 -5.647 775 HG1 THR 103 HG1 THR 103 5.089 9.094 -7.848 776 HG21 THR 103 3HG2 THR 103 2.745 7.897 -6.689 777 HG22 THR 103 1HG2 THR 103 3.249 8.057 -5.004 778 HG23 THR 103 2HG2 THR 103 4.402 7.511 -6.222 779 H THR 104 H THR 104 2.366 11.645 -8.262 780 HA THR 104 HA THR 104 -0.197 10.253 -8.655 781 HB THR 104 HB THR 104 -0.611 11.931 -10.453 782 HG1 THR 104 HG1 THR 104 0.860 13.470 -10.892 783 HG21 THR 104 3HG2 THR 104 -1.000 13.827 -8.952 784 HG22 THR 104 1HG2 THR 104 0.089 13.120 -7.758 785 HG23 THR 104 2HG2 THR 104 -1.426 12.311 -8.157 786 H THR 105 H THR 105 2.850 9.526 -9.320 787 HA THR 105 HA THR 105 2.613 8.826 -12.127 788 HB THR 105 HB THR 105 4.738 7.993 -10.125 789 HG1 THR 105 HG1 THR 105 5.957 9.653 -11.325 790 HG21 THR 105 3HG2 THR 105 4.714 7.871 -13.150 791 HG22 THR 105 1HG2 THR 105 4.644 6.490 -12.053 792 HG23 THR 105 2HG2 THR 105 6.095 7.490 -12.121 793 H ILE 106 H ILE 106 1.177 7.234 -12.600 794 HA ILE 106 HA ILE 106 1.282 4.742 -10.998 795 HB ILE 106 HB ILE 106 -1.118 5.866 -12.468 796 HG12 ILE 106 2HG1 ILE 106 -0.556 5.691 -9.491 797 HG13 ILE 106 1HG1 ILE 106 -0.548 7.169 -10.445 798 HG21 ILE 106 1HG2 ILE 106 -2.373 4.053 -11.385 799 HG22 ILE 106 2HG2 ILE 106 -0.876 3.440 -10.681 800 HG23 ILE 106 3HG2 ILE 106 -1.099 3.422 -12.431 801 HD11 ILE 106 3HD1 ILE 106 -2.589 6.937 -9.148 802 HD12 ILE 106 1HD1 ILE 106 -2.940 5.407 -9.954 803 HD13 ILE 106 2HD1 ILE 106 -2.930 6.909 -10.880 804 H LYS 107 H LYS 107 2.168 3.125 -12.102 805 HA LYS 107 HA LYS 107 2.087 3.073 -15.037 806 HB2 LYS 107 2HB LYS 107 3.652 1.300 -13.140 807 HB3 LYS 107 1HB LYS 107 3.848 1.393 -14.884 808 HG2 LYS 107 2HG LYS 107 4.685 3.679 -14.685 809 HG3 LYS 107 1HG LYS 107 4.435 3.629 -12.938 810 HD2 LYS 107 2HD LYS 107 6.024 1.701 -12.832 811 HD3 LYS 107 1HD LYS 107 6.347 1.931 -14.552 812 HE2 LYS 107 2HE LYS 107 6.804 4.021 -12.413 813 HE3 LYS 107 1HE LYS 107 8.054 2.967 -13.069 814 HZ1 LYS 107 3HZ LYS 107 8.063 5.146 -14.112 815 HZ2 LYS 107 1HZ LYS 107 6.471 4.927 -14.637 816 HZ3 LYS 107 2HZ LYS 107 7.702 3.939 -15.239 817 H ASP 108 H ASP 108 0.410 1.955 -15.928 818 HA ASP 108 HA ASP 108 -0.790 -0.279 -14.484 819 HB2 ASP 108 2HB ASP 108 -2.270 1.342 -15.600 820 HB3 ASP 108 1HB ASP 108 -1.538 0.949 -17.153 821 H LEU 109 H LEU 109 -0.272 -2.342 -14.828 822 HA LEU 109 HA LEU 109 1.327 -3.030 -17.212 823 HG LEU 109 HG LEU 109 2.460 -2.329 -14.343 824 HB2 LEU 109 2HB LEU 109 1.177 -4.438 -14.539 825 HB3 LEU 109 1HB LEU 109 2.186 -4.919 -15.891 826 HD11 LEU 109 1HD1 LEU 109 3.121 -4.299 -13.034 827 HD12 LEU 109 2HD1 LEU 109 4.503 -3.285 -13.445 828 HD13 LEU 109 3HD1 LEU 109 4.218 -4.785 -14.328 829 HD21 LEU 109 3HD2 LEU 109 4.537 -2.038 -15.616 830 HD22 LEU 109 1HD2 LEU 109 3.127 -2.071 -16.673 831 HD23 LEU 109 2HD2 LEU 109 4.169 -3.490 -16.550 832 H THR 110 H THR 110 -1.766 -3.080 -16.498 833 HA THR 110 HA THR 110 -2.363 -5.894 -17.039 834 HB THR 110 HB THR 110 -4.656 -5.415 -16.661 835 HG1 THR 110 HG1 THR 110 -4.069 -2.610 -16.716 836 HG21 THR 110 3HG2 THR 110 -3.337 -5.398 -14.615 837 HG22 THR 110 1HG2 THR 110 -4.673 -4.253 -14.489 838 HG23 THR 110 2HG2 THR 110 -3.038 -3.670 -14.798 839 H LEU 111 H LEU 111 -2.589 -2.764 -18.608 840 HA LEU 111 HA LEU 111 -3.592 -3.896 -21.102 841 HG LEU 111 HG LEU 111 -4.638 -1.772 -19.000 842 HB2 LEU 111 2HB LEU 111 -2.740 -1.056 -20.487 843 HB3 LEU 111 1HB LEU 111 -3.683 -1.595 -21.865 844 HD11 LEU 111 1HD1 LEU 111 -6.041 0.163 -19.510 845 HD12 LEU 111 2HD1 LEU 111 -5.299 0.292 -21.105 846 HD13 LEU 111 3HD1 LEU 111 -4.329 0.567 -19.656 847 HD21 LEU 111 3HD2 LEU 111 -6.106 -2.083 -21.623 848 HD22 LEU 111 1HD2 LEU 111 -6.829 -2.159 -20.016 849 HD23 LEU 111 2HD2 LEU 111 -5.673 -3.391 -20.523 850 H GLU 112 H GLU 112 -0.777 -1.916 -20.114 851 HA GLU 112 HA GLU 112 0.702 -2.894 -22.467 852 HB2 GLU 112 2HB GLU 112 1.048 -0.430 -20.754 853 HB3 GLU 112 1HB GLU 112 2.233 -0.934 -21.952 854 HG2 GLU 112 2HG GLU 112 -0.654 -0.393 -22.614 855 HG3 GLU 112 1HG GLU 112 0.602 0.840 -22.681 856 H HIS 113 H HIS 113 2.370 -4.214 -22.240 857 HA HIS 113 HA HIS 113 3.399 -4.811 -19.560 858 HD1 HIS 113 HD1 HIS 113 1.704 -6.704 -23.092 859 HD2 HIS 113 HD2 HIS 113 2.055 -7.619 -19.053 860 HE1 HIS 113 HE1 HIS 113 -0.406 -7.909 -22.493 861 HE2 HIS 113 HE2 HIS 113 -0.253 -8.289 -20.016 862 HB2 HIS 113 2HB HIS 113 4.002 -6.213 -22.179 863 HB3 HIS 113 1HB HIS 113 4.377 -6.794 -20.558 864 H HIS 114 H HIS 114 4.430 -2.665 -19.511 865 HA HIS 114 HA HIS 114 6.388 -1.924 -21.444 866 HD1 HIS 114 HD1 HIS 114 8.437 0.104 -18.574 867 HD2 HIS 114 HD2 HIS 114 6.328 1.341 -21.935 868 HE1 HIS 114 HE1 HIS 114 9.829 1.916 -19.616 869 HE2 HIS 114 HE2 HIS 114 8.469 2.743 -21.564 870 HB2 HIS 114 2HB HIS 114 5.041 -0.314 -20.072 871 HB3 HIS 114 1HB HIS 114 6.011 -0.766 -18.673 872 H HIS 115 H HIS 115 7.945 -3.531 -21.568 873 HA HIS 115 HA HIS 115 9.540 -4.162 -19.193 874 HD1 HIS 115 HD1 HIS 115 7.285 -5.703 -22.378 875 HD2 HIS 115 HD2 HIS 115 11.267 -5.182 -23.451 876 HE1 HIS 115 HE1 HIS 115 7.305 -5.653 -24.886 877 HE2 HIS 115 HE2 HIS 115 9.688 -5.128 -25.499 878 HB2 HIS 115 2HB HIS 115 10.684 -5.790 -20.789 879 HB3 HIS 115 1HB HIS 115 8.987 -6.104 -20.443 880 H HIS 116 H HIS 116 11.376 -3.092 -18.748 881 HA HIS 116 HA HIS 116 12.502 -1.364 -20.864 882 HD1 HIS 116 HD1 HIS 116 14.361 -0.093 -16.916 883 HD2 HIS 116 HD2 HIS 116 10.655 -1.969 -16.923 884 HE1 HIS 116 HE1 HIS 116 14.022 -0.913 -14.573 885 HE2 HIS 116 HE2 HIS 116 11.856 -2.183 -14.645 886 HB2 HIS 116 2HB HIS 116 13.175 0.193 -19.088 887 HB3 HIS 116 1HB HIS 116 11.439 -0.090 -19.066 888 H HIS 117 H HIS 117 14.527 -1.659 -21.474 889 HA HIS 117 HA HIS 117 16.269 -3.524 -20.124 890 HD1 HIS 117 HD1 HIS 117 17.915 -5.054 -23.046 891 HD2 HIS 117 HD2 HIS 117 14.134 -3.327 -23.109 892 HE1 HIS 117 HE1 HIS 117 16.468 -6.650 -24.328 893 HE2 HIS 117 HE2 HIS 117 14.168 -5.633 -24.281 894 HB2 HIS 117 2HB HIS 117 16.673 -1.755 -22.546 895 HB3 HIS 117 1HB HIS 117 17.904 -2.855 -21.928 896 H HIS 118 H HIS 118 15.822 -0.084 -20.150 897 HA HIS 118 HA HIS 118 18.262 0.330 -18.558 898 HD1 HIS 118 HD1 HIS 118 16.671 2.067 -22.216 899 HD2 HIS 118 HD2 HIS 118 20.233 1.984 -20.078 900 HE1 HIS 118 HE1 HIS 118 18.490 2.067 -23.944 901 HE2 HIS 118 HE2 HIS 118 20.633 2.117 -22.632 902 HB2 HIS 118 2HB HIS 118 16.309 2.320 -19.753 903 HB3 HIS 118 1HB HIS 118 17.719 2.758 -18.797 Start of MODEL 7 1 HA MET 1 HA MET 1 6.096 11.343 -3.616 2 H1 MET 1 1H MET 1 8.211 11.236 -2.449 3 H2 MET 1 2H MET 1 7.307 12.584 -1.976 4 H3 MET 1 3H MET 1 8.620 12.778 -3.024 5 HB2 MET 1 2HB MET 1 5.964 13.839 -3.535 6 HB3 MET 1 1HB MET 1 7.198 13.914 -4.783 7 HG2 MET 1 2HG MET 1 5.719 12.815 -6.357 8 HG3 MET 1 1HG MET 1 4.493 12.623 -5.103 9 HE1 MET 1 3HE MET 1 3.846 13.898 -7.905 10 HE2 MET 1 1HE MET 1 2.899 15.318 -7.459 11 HE3 MET 1 2HE MET 1 2.641 13.788 -6.623 12 H SER 2 H SER 2 9.391 11.282 -4.107 13 HA SER 2 HA SER 2 9.610 10.908 -6.908 14 HG SER 2 HG SER 2 11.368 12.229 -4.877 15 HB2 SER 2 2HB SER 2 11.395 10.000 -4.635 16 HB3 SER 2 1HB SER 2 11.820 9.833 -6.338 17 H GLY 3 H GLY 3 8.395 8.820 -4.481 18 HA2 GLY 3 2HA GLY 3 8.949 6.311 -5.745 19 HA3 GLY 3 1HA GLY 3 7.778 6.599 -4.466 20 H TRP 4 H TRP 4 6.968 4.820 -6.231 21 HA TRP 4 HA TRP 4 4.854 6.166 -7.701 22 HD1 TRP 4 HD1 TRP 4 5.817 2.502 -9.988 23 HE1 TRP 4 HE1 TRP 4 7.984 1.118 -10.064 24 HE3 TRP 4 HE3 TRP 4 9.123 6.074 -8.393 25 HZ2 TRP 4 HZ2 TRP 4 10.733 1.490 -9.523 26 HZ3 TRP 4 HZ3 TRP 4 11.501 5.475 -8.203 27 HH2 TRP 4 HH2 TRP 4 12.290 3.230 -8.755 28 HB2 TRP 4 2HB TRP 4 5.376 5.138 -9.852 29 HB3 TRP 4 1HB TRP 4 6.704 6.160 -9.317 30 H TYR 5 H TYR 5 3.289 4.663 -8.662 31 HA TYR 5 HA TYR 5 3.056 2.167 -7.107 32 HD1 TYR 5 HD1 TYR 5 1.439 5.809 -7.105 33 HD2 TYR 5 HD2 TYR 5 0.476 2.035 -5.386 34 HE1 TYR 5 HE1 TYR 5 0.997 6.906 -4.948 35 HE2 TYR 5 HE2 TYR 5 0.035 3.121 -3.229 36 HH TYR 5 HH TYR 5 -0.231 6.511 -2.892 37 HB2 TYR 5 2HB TYR 5 0.964 3.849 -8.511 38 HB3 TYR 5 1HB TYR 5 0.626 2.284 -7.786 39 H GLU 6 H GLU 6 2.823 0.209 -8.110 40 HA GLU 6 HA GLU 6 2.525 0.175 -11.050 41 HB2 GLU 6 2HB GLU 6 4.278 -1.583 -9.321 42 HB3 GLU 6 1HB GLU 6 3.848 -2.000 -10.976 43 HG2 GLU 6 2HG GLU 6 4.911 0.040 -11.784 44 HG3 GLU 6 1HG GLU 6 5.312 0.497 -10.129 45 H LEU 7 H LEU 7 0.645 -0.679 -11.629 46 HA LEU 7 HA LEU 7 -0.839 -2.350 -9.740 47 HG LEU 7 HG LEU 7 -3.068 -3.149 -11.509 48 HB2 LEU 7 2HB LEU 7 -1.955 -0.429 -10.829 49 HB3 LEU 7 1HB LEU 7 -1.700 -1.181 -12.394 50 HD11 LEU 7 1HD1 LEU 7 -2.955 -2.614 -9.140 51 HD12 LEU 7 2HD1 LEU 7 -4.626 -2.680 -9.698 52 HD13 LEU 7 3HD1 LEU 7 -3.850 -1.120 -9.422 53 HD21 LEU 7 3HD2 LEU 7 -4.421 -0.482 -11.879 54 HD22 LEU 7 1HD2 LEU 7 -5.188 -2.063 -12.034 55 HD23 LEU 7 2HD2 LEU 7 -3.915 -1.590 -13.157 56 H SER 8 H SER 8 -0.874 -4.497 -9.897 57 HA SER 8 HA SER 8 -0.332 -5.756 -12.513 58 HG SER 8 HG SER 8 0.116 -6.099 -9.007 59 HB2 SER 8 2HB SER 8 0.680 -7.660 -11.312 60 HB3 SER 8 1HB SER 8 1.511 -6.157 -10.912 61 H LYS 9 H LYS 9 -1.348 -7.910 -12.829 62 HA LYS 9 HA LYS 9 -3.992 -7.992 -11.507 63 HB2 LYS 9 2HB LYS 9 -3.949 -7.209 -13.913 64 HB3 LYS 9 1HB LYS 9 -3.410 -8.822 -14.355 65 HG2 LYS 9 2HG LYS 9 -5.463 -9.791 -13.561 66 HG3 LYS 9 1HG LYS 9 -5.987 -8.243 -12.900 67 HD2 LYS 9 2HD LYS 9 -7.177 -8.387 -14.899 68 HD3 LYS 9 1HD LYS 9 -5.797 -7.383 -15.333 69 HE2 LYS 9 2HE LYS 9 -5.986 -10.359 -15.832 70 HE3 LYS 9 1HE LYS 9 -6.350 -9.118 -17.026 71 HZ1 LYS 9 3HZ LYS 9 -4.140 -9.947 -17.349 72 HZ2 LYS 9 1HZ LYS 9 -3.718 -9.612 -15.747 73 HZ3 LYS 9 2HZ LYS 9 -4.046 -8.346 -16.822 74 H SER 10 H SER 10 -4.535 -9.830 -10.522 75 HA SER 10 HA SER 10 -2.769 -12.119 -10.587 76 HG SER 10 HG SER 10 -4.113 -13.443 -7.816 77 HB2 SER 10 2HB SER 10 -3.755 -11.446 -8.458 78 HB3 SER 10 1HB SER 10 -5.381 -11.659 -9.109 79 H SER 11 H SER 11 -4.063 -14.364 -10.512 80 HA SER 11 HA SER 11 -4.682 -14.948 -13.184 81 HG SER 11 HG SER 11 -6.388 -17.138 -10.570 82 HB2 SER 11 2HB SER 11 -5.309 -17.179 -12.393 83 HB3 SER 11 1HB SER 11 -3.859 -16.628 -11.557 84 H ASN 12 H ASN 12 -6.796 -14.183 -10.481 85 HA ASN 12 HA ASN 12 -9.225 -14.869 -11.911 86 HB2 ASN 12 2HB ASN 12 -8.855 -13.414 -9.277 87 HB3 ASN 12 1HB ASN 12 -10.372 -14.054 -9.899 88 HD21 ASN 12 1HD2 ASN 12 -8.963 -14.666 -7.427 89 HD22 ASN 12 2HD2 ASN 12 -8.678 -16.372 -7.453 90 H ASP 13 H ASP 13 -7.328 -12.598 -12.821 91 HA ASP 13 HA ASP 13 -7.412 -10.505 -13.681 92 HB2 ASP 13 2HB ASP 13 -10.340 -11.224 -13.784 93 HB3 ASP 13 1HB ASP 13 -9.752 -9.669 -14.368 94 H GLN 14 H GLN 14 -7.810 -10.995 -10.694 95 HA GLN 14 HA GLN 14 -9.099 -8.555 -9.810 96 HB2 GLN 14 2HB GLN 14 -7.560 -10.684 -8.301 97 HB3 GLN 14 1HB GLN 14 -8.336 -9.299 -7.540 98 HG2 GLN 14 2HG GLN 14 -10.512 -10.062 -8.306 99 HG3 GLN 14 1HG GLN 14 -9.764 -11.413 -9.154 100 HE21 GLN 14 1HE2 GLN 14 -10.622 -10.109 -6.044 101 HE22 GLN 14 2HE2 GLN 14 -10.414 -11.577 -5.161 102 H PHE 15 H PHE 15 -8.081 -6.723 -9.042 103 HA PHE 15 HA PHE 15 -5.381 -6.382 -10.135 104 HD1 PHE 15 HD2 PHE 15 -9.297 -5.435 -10.460 105 HD2 PHE 15 HD1 PHE 15 -5.708 -4.493 -12.546 106 HE1 PHE 15 HE2 PHE 15 -10.440 -5.828 -12.603 107 HE2 PHE 15 HE1 PHE 15 -6.842 -4.891 -14.690 108 HZ PHE 15 HZ PHE 15 -9.213 -5.560 -14.721 109 HB2 PHE 15 2HB PHE 15 -7.430 -4.295 -9.341 110 HB3 PHE 15 1HB PHE 15 -5.920 -3.997 -10.201 111 H LYS 16 H LYS 16 -3.653 -5.792 -8.974 112 HA LYS 16 HA LYS 16 -3.949 -4.876 -6.201 113 HB2 LYS 16 2HB LYS 16 -2.140 -6.458 -5.493 114 HB3 LYS 16 1HB LYS 16 -3.634 -7.259 -5.966 115 HG2 LYS 16 2HG LYS 16 -2.690 -7.860 -8.107 116 HG3 LYS 16 1HG LYS 16 -1.220 -6.951 -7.753 117 HD2 LYS 16 2HD LYS 16 -0.732 -8.480 -5.891 118 HD3 LYS 16 1HD LYS 16 -2.202 -9.387 -6.252 119 HE2 LYS 16 2HE LYS 16 -1.321 -9.950 -8.465 120 HE3 LYS 16 1HE LYS 16 0.137 -9.017 -8.131 121 HZ1 LYS 16 3HZ LYS 16 0.452 -11.400 -7.798 122 HZ2 LYS 16 1HZ LYS 16 -0.742 -11.403 -6.605 123 HZ3 LYS 16 2HZ LYS 16 0.686 -10.539 -6.362 124 H PHE 17 H PHE 17 -2.728 -3.076 -5.923 125 HA PHE 17 HA PHE 17 -0.452 -2.655 -7.742 126 HD1 PHE 17 HD2 PHE 17 -4.176 -1.228 -6.629 127 HD2 PHE 17 HD1 PHE 17 -0.705 0.669 -5.037 128 HE1 PHE 17 HE2 PHE 17 -5.530 -0.282 -4.805 129 HE2 PHE 17 HE1 PHE 17 -2.058 1.618 -3.213 130 HZ PHE 17 HZ PHE 17 -4.473 1.144 -3.095 131 HB2 PHE 17 2HB PHE 17 -0.689 -0.241 -7.263 132 HB3 PHE 17 1HB PHE 17 -2.136 -0.933 -7.978 133 H VAL 18 H VAL 18 1.522 -1.905 -7.002 134 HA VAL 18 HA VAL 18 1.986 -2.103 -4.086 135 HB VAL 18 HB VAL 18 4.261 -2.939 -4.578 136 HG11 VAL 18 1HG1 VAL 18 2.501 -4.542 -4.086 137 HG12 VAL 18 2HG1 VAL 18 3.615 -5.211 -5.277 138 HG13 VAL 18 3HG1 VAL 18 2.043 -4.596 -5.789 139 HG21 VAL 18 3HG2 VAL 18 4.807 -3.743 -6.852 140 HG22 VAL 18 1HG2 VAL 18 4.585 -1.994 -6.797 141 HG23 VAL 18 2HG2 VAL 18 3.311 -3.024 -7.450 142 H LEU 19 H LEU 19 3.311 -0.593 -3.134 143 HA LEU 19 HA LEU 19 3.976 1.757 -4.793 144 HG LEU 19 HG LEU 19 5.119 3.301 -2.150 145 HB2 LEU 19 2HB LEU 19 2.415 2.234 -3.004 146 HB3 LEU 19 1HB LEU 19 3.482 1.499 -1.823 147 HD11 LEU 19 1HD1 LEU 19 4.631 3.817 -4.501 148 HD12 LEU 19 2HD1 LEU 19 4.599 5.261 -3.489 149 HD13 LEU 19 3HD1 LEU 19 3.087 4.521 -4.021 150 HD21 LEU 19 3HD2 LEU 19 3.818 5.117 -1.133 151 HD22 LEU 19 1HD2 LEU 19 3.423 3.554 -0.421 152 HD23 LEU 19 2HD2 LEU 19 2.322 4.297 -1.582 153 H LYS 20 H LYS 20 6.042 1.989 -5.332 154 HA LYS 20 HA LYS 20 8.157 0.845 -3.643 155 HB2 LYS 20 2HB LYS 20 8.197 1.977 -6.449 156 HB3 LYS 20 1HB LYS 20 9.650 1.493 -5.583 157 HG2 LYS 20 2HG LYS 20 8.710 -0.801 -5.384 158 HG3 LYS 20 1HG LYS 20 7.347 -0.287 -6.382 159 HD2 LYS 20 2HD LYS 20 8.782 0.130 -8.252 160 HD3 LYS 20 1HD LYS 20 10.228 -0.092 -7.266 161 HE2 LYS 20 2HE LYS 20 9.905 -2.062 -8.595 162 HE3 LYS 20 1HE LYS 20 9.557 -2.465 -6.916 163 HZ1 LYS 20 3HZ LYS 20 7.169 -2.157 -7.472 164 HZ2 LYS 20 1HZ LYS 20 7.903 -3.443 -8.287 165 HZ3 LYS 20 2HZ LYS 20 7.605 -1.989 -9.095 166 H ALA 21 H ALA 21 9.599 2.048 -2.515 167 HA ALA 21 HA ALA 21 8.874 4.781 -1.953 168 HB1 ALA 21 3HB ALA 21 9.475 3.192 -0.187 169 HB2 ALA 21 1HB ALA 21 10.503 4.625 -0.162 170 HB3 ALA 21 2HB ALA 21 11.116 3.111 -0.828 171 H GLY 22 H GLY 22 9.963 4.460 -4.608 172 HA2 GLY 22 2HA GLY 22 11.165 5.971 -5.927 173 HA3 GLY 22 1HA GLY 22 11.954 6.576 -4.480 174 H ASN 23 H ASN 23 13.106 4.268 -3.471 175 HA ASN 23 HA ASN 23 15.402 4.012 -5.172 176 HB2 ASN 23 2HB ASN 23 16.301 2.597 -3.371 177 HB3 ASN 23 1HB ASN 23 15.617 4.087 -2.729 178 HD21 ASN 23 1HD2 ASN 23 16.072 1.569 -1.373 179 HD22 ASN 23 2HD2 ASN 23 14.534 1.051 -0.781 180 H GLY 24 H GLY 24 12.468 2.447 -5.236 181 HA2 GLY 24 2HA GLY 24 11.990 0.772 -6.886 182 HA3 GLY 24 1HA GLY 24 13.612 0.133 -6.667 183 H GLU 25 H GLU 25 12.975 0.553 -3.632 184 HA GLU 25 HA GLU 25 12.120 -2.158 -3.179 185 HB2 GLU 25 2HB GLU 25 13.868 -1.237 -1.792 186 HB3 GLU 25 1HB GLU 25 12.835 0.093 -1.291 187 HG2 GLU 25 2HG GLU 25 11.452 -1.362 -0.002 188 HG3 GLU 25 1HG GLU 25 12.240 -2.792 -0.669 189 H VAL 26 H VAL 26 10.141 -2.876 -2.662 190 HA VAL 26 HA VAL 26 7.905 -1.048 -2.751 191 HB VAL 26 HB VAL 26 7.939 -4.050 -2.353 192 HG11 VAL 26 1HG1 VAL 26 5.572 -3.982 -2.989 193 HG12 VAL 26 2HG1 VAL 26 5.636 -2.222 -3.068 194 HG13 VAL 26 3HG1 VAL 26 5.864 -3.044 -1.524 195 HG21 VAL 26 3HG2 VAL 26 7.478 -2.419 -4.858 196 HG22 VAL 26 1HG2 VAL 26 7.361 -4.175 -4.732 197 HG23 VAL 26 2HG2 VAL 26 8.915 -3.375 -4.493 198 H ILE 27 H ILE 27 7.026 -0.082 -1.022 199 HA ILE 27 HA ILE 27 7.543 -1.178 1.647 200 HB ILE 27 HB ILE 27 6.582 0.973 2.497 201 HG12 ILE 27 2HG1 ILE 27 6.642 1.768 -0.434 202 HG13 ILE 27 1HG1 ILE 27 5.190 1.548 0.537 203 HG21 ILE 27 1HG2 ILE 27 8.986 0.645 2.274 204 HG22 ILE 27 2HG2 ILE 27 8.551 2.318 1.929 205 HG23 ILE 27 3HG2 ILE 27 8.926 1.213 0.606 206 HD11 ILE 27 3HD1 ILE 27 7.314 3.639 0.985 207 HD12 ILE 27 1HD1 ILE 27 5.862 3.420 1.965 208 HD13 ILE 27 2HD1 ILE 27 5.723 3.900 0.274 209 H LEU 28 H LEU 28 4.823 -0.472 -0.511 210 HA LEU 28 HA LEU 28 3.001 -1.786 1.422 211 HG LEU 28 HG LEU 28 1.334 1.513 1.709 212 HB2 LEU 28 2HB LEU 28 2.644 0.721 -0.164 213 HB3 LEU 28 1HB LEU 28 1.241 -0.303 0.060 214 HD11 LEU 28 1HD1 LEU 28 1.757 -1.193 2.975 215 HD12 LEU 28 2HD1 LEU 28 0.240 -0.608 2.292 216 HD13 LEU 28 3HD1 LEU 28 0.938 0.192 3.700 217 HD21 LEU 28 3HD2 LEU 28 3.846 0.190 2.722 218 HD22 LEU 28 1HD2 LEU 28 3.025 1.577 3.435 219 HD23 LEU 28 2HD2 LEU 28 3.780 1.719 1.847 220 H THR 29 H THR 29 1.749 -3.391 0.690 221 HA THR 29 HA THR 29 1.437 -3.801 -2.222 222 HB THR 29 HB THR 29 1.795 -5.966 -0.122 223 HG1 THR 29 HG1 THR 29 3.806 -6.184 -0.894 224 HG21 THR 29 3HG2 THR 29 0.231 -6.669 -1.867 225 HG22 THR 29 1HG2 THR 29 1.762 -7.531 -2.028 226 HG23 THR 29 2HG2 THR 29 1.385 -6.193 -3.114 227 H SER 30 H SER 30 -0.681 -3.511 -2.725 228 HA SER 30 HA SER 30 -2.720 -3.711 -0.677 229 HG SER 30 HG SER 30 -3.563 -1.118 -1.781 230 HB2 SER 30 2HB SER 30 -2.913 -3.015 -3.617 231 HB3 SER 30 1HB SER 30 -4.267 -2.959 -2.487 232 H GLU 31 H GLU 31 -4.778 -4.862 -1.064 233 HA GLU 31 HA GLU 31 -4.264 -7.614 -1.798 234 HB2 GLU 31 2HB GLU 31 -6.627 -6.208 -0.555 235 HB3 GLU 31 1HB GLU 31 -6.701 -7.897 -1.033 236 HG2 GLU 31 2HG GLU 31 -4.761 -6.727 0.956 237 HG3 GLU 31 1HG GLU 31 -6.218 -7.638 1.346 238 H LEU 32 H LEU 32 -6.547 -8.625 -2.747 239 HA LEU 32 HA LEU 32 -6.344 -7.823 -5.520 240 HG LEU 32 HG LEU 32 -5.415 -10.436 -4.102 241 HB2 LEU 32 2HB LEU 32 -7.842 -10.081 -4.188 242 HB3 LEU 32 1HB LEU 32 -7.756 -9.837 -5.922 243 HD11 LEU 32 1HD1 LEU 32 -5.324 -12.575 -5.278 244 HD12 LEU 32 2HD1 LEU 32 -6.759 -12.138 -6.206 245 HD13 LEU 32 3HD1 LEU 32 -6.872 -12.367 -4.461 246 HD21 LEU 32 3HD2 LEU 32 -4.749 -8.973 -5.937 247 HD22 LEU 32 1HD2 LEU 32 -5.509 -10.060 -7.100 248 HD23 LEU 32 2HD2 LEU 32 -4.106 -10.598 -6.174 249 H TYR 33 H TYR 33 -7.443 -5.930 -5.835 250 HA TYR 33 HA TYR 33 -10.149 -5.496 -5.027 251 HD1 TYR 33 HD2 TYR 33 -6.638 -3.867 -5.354 252 HD2 TYR 33 HD1 TYR 33 -10.590 -2.380 -4.780 253 HE1 TYR 33 HE2 TYR 33 -5.834 -2.437 -3.525 254 HE2 TYR 33 HE1 TYR 33 -9.791 -0.948 -2.950 255 HH TYR 33 HH TYR 33 -7.891 -0.907 -1.342 256 HB2 TYR 33 2HB TYR 33 -8.401 -4.138 -7.088 257 HB3 TYR 33 1HB TYR 33 -10.051 -3.629 -6.753 258 H THR 34 H THR 34 -12.046 -5.849 -6.105 259 HA THR 34 HA THR 34 -11.996 -7.629 -8.411 260 HB THR 34 HB THR 34 -14.496 -7.659 -8.103 261 HG1 THR 34 HG1 THR 34 -15.206 -5.978 -6.999 262 HG21 THR 34 3HG2 THR 34 -14.450 -8.951 -6.015 263 HG22 THR 34 1HG2 THR 34 -12.855 -8.298 -5.641 264 HG23 THR 34 2HG2 THR 34 -13.070 -9.353 -7.038 265 H GLY 35 H GLY 35 -11.397 -4.581 -8.457 266 HA2 GLY 35 2HA GLY 35 -12.685 -4.107 -11.011 267 HA3 GLY 35 1HA GLY 35 -13.169 -3.000 -9.734 268 H LYS 36 H LYS 36 -11.363 -3.004 -12.325 269 HA LYS 36 HA LYS 36 -8.749 -2.303 -11.605 270 HB2 LYS 36 2HB LYS 36 -9.540 -2.897 -13.885 271 HB3 LYS 36 1HB LYS 36 -10.343 -1.341 -13.990 272 HG2 LYS 36 2HG LYS 36 -8.249 -0.180 -13.972 273 HG3 LYS 36 1HG LYS 36 -7.368 -1.670 -13.618 274 HD2 LYS 36 2HD LYS 36 -8.128 -2.601 -15.785 275 HD3 LYS 36 1HD LYS 36 -8.940 -1.075 -16.138 276 HE2 LYS 36 2HE LYS 36 -6.805 -1.184 -17.287 277 HE3 LYS 36 1HE LYS 36 -6.779 0.083 -16.062 278 HZ1 LYS 36 3HZ LYS 36 -4.741 -1.218 -16.070 279 HZ2 LYS 36 1HZ LYS 36 -5.612 -2.634 -15.753 280 HZ3 LYS 36 2HZ LYS 36 -5.563 -1.395 -14.606 281 H SER 37 H SER 37 -11.410 -0.065 -12.515 282 HA SER 37 HA SER 37 -10.148 2.297 -11.668 283 HG SER 37 HG SER 37 -12.969 3.653 -10.749 284 HB2 SER 37 2HB SER 37 -12.197 2.270 -13.066 285 HB3 SER 37 1HB SER 37 -13.126 1.709 -11.677 286 H GLY 38 H GLY 38 -11.877 -0.158 -9.868 287 HA2 GLY 38 2HA GLY 38 -12.224 1.232 -7.427 288 HA3 GLY 38 1HA GLY 38 -12.159 -0.513 -7.614 289 H ALA 39 H ALA 39 -9.537 -0.749 -8.644 290 HA ALA 39 HA ALA 39 -7.926 -0.648 -6.330 291 HB1 ALA 39 3HB ALA 39 -7.509 -2.207 -8.171 292 HB2 ALA 39 1HB ALA 39 -6.072 -1.251 -7.810 293 HB3 ALA 39 2HB ALA 39 -7.060 -0.861 -9.217 294 H MET 40 H MET 40 -7.928 1.413 -9.244 295 HA MET 40 HA MET 40 -5.999 3.268 -8.390 296 HB2 MET 40 2HB MET 40 -8.391 3.682 -10.205 297 HB3 MET 40 1HB MET 40 -7.052 4.814 -10.032 298 HG2 MET 40 2HG MET 40 -6.829 1.977 -11.029 299 HG3 MET 40 1HG MET 40 -6.822 3.424 -12.035 300 HE1 MET 40 3HE MET 40 -4.522 2.675 -13.156 301 HE2 MET 40 1HE MET 40 -4.535 1.210 -12.173 302 HE3 MET 40 2HE MET 40 -3.092 2.221 -12.229 303 H ASN 41 H ASN 41 -9.522 3.224 -7.907 304 HA ASN 41 HA ASN 41 -9.853 5.532 -6.393 305 HB2 ASN 41 2HB ASN 41 -11.800 4.332 -7.039 306 HB3 ASN 41 1HB ASN 41 -11.234 2.846 -6.286 307 HD21 ASN 41 1HD2 ASN 41 -11.541 2.549 -4.104 308 HD22 ASN 41 2HD2 ASN 41 -12.503 3.604 -3.133 309 H GLY 42 H GLY 42 -8.733 2.320 -5.358 310 HA2 GLY 42 2HA GLY 42 -8.374 2.836 -2.625 311 HA3 GLY 42 1HA GLY 42 -7.411 1.714 -3.576 312 H ILE 43 H ILE 43 -6.272 3.556 -5.397 313 HA ILE 43 HA ILE 43 -4.087 4.569 -3.894 314 HB ILE 43 HB ILE 43 -4.903 5.287 -6.723 315 HG12 ILE 43 2HG1 ILE 43 -2.980 3.171 -5.701 316 HG13 ILE 43 1HG1 ILE 43 -4.564 2.860 -6.403 317 HG21 ILE 43 1HG2 ILE 43 -3.330 6.904 -5.776 318 HG22 ILE 43 2HG2 ILE 43 -2.552 5.931 -7.024 319 HG23 ILE 43 3HG2 ILE 43 -2.239 5.593 -5.320 320 HD11 ILE 43 3HD1 ILE 43 -2.196 4.066 -7.820 321 HD12 ILE 43 1HD1 ILE 43 -3.789 3.796 -8.530 322 HD13 ILE 43 2HD1 ILE 43 -2.814 2.424 -8.006 323 H GLU 44 H GLU 44 -6.991 6.142 -5.232 324 HA GLU 44 HA GLU 44 -6.412 8.795 -4.489 325 HB2 GLU 44 2HB GLU 44 -9.057 7.335 -4.664 326 HB3 GLU 44 1HB GLU 44 -8.932 9.059 -4.349 327 HG2 GLU 44 2HG GLU 44 -7.730 9.307 -6.516 328 HG3 GLU 44 1HG GLU 44 -8.046 7.600 -6.830 329 H SER 45 H SER 45 -7.959 6.172 -2.673 330 HA SER 45 HA SER 45 -8.465 7.531 -0.284 331 HG SER 45 HG SER 45 -9.512 5.177 -1.824 332 HB2 SER 45 2HB SER 45 -7.633 4.630 -0.616 333 HB3 SER 45 1HB SER 45 -8.419 5.319 0.804 334 H VAL 46 H VAL 46 -5.505 5.880 -1.388 335 HA VAL 46 HA VAL 46 -3.951 6.438 0.917 336 HB VAL 46 HB VAL 46 -2.946 6.041 -1.913 337 HG11 VAL 46 1HG1 VAL 46 -1.235 6.956 -0.452 338 HG12 VAL 46 2HG1 VAL 46 -0.879 5.264 -0.801 339 HG13 VAL 46 3HG1 VAL 46 -1.565 5.716 0.760 340 HG21 VAL 46 3HG2 VAL 46 -3.423 3.980 0.250 341 HG22 VAL 46 1HG2 VAL 46 -2.712 3.676 -1.335 342 HG23 VAL 46 2HG2 VAL 46 -4.394 4.188 -1.208 343 H GLN 47 H GLN 47 -4.434 8.235 -2.118 344 HA GLN 47 HA GLN 47 -2.618 10.310 -1.811 345 HB2 GLN 47 2HB GLN 47 -5.402 10.293 -2.986 346 HB3 GLN 47 1HB GLN 47 -4.366 11.710 -3.056 347 HG2 GLN 47 2HG GLN 47 -3.608 9.023 -4.186 348 HG3 GLN 47 1HG GLN 47 -4.388 10.300 -5.118 349 HE21 GLN 47 1HE2 GLN 47 -1.778 9.077 -5.502 350 HE22 GLN 47 2HE2 GLN 47 -0.633 10.358 -5.426 351 H THR 48 H THR 48 -5.784 9.891 -0.317 352 HA THR 48 HA THR 48 -5.723 12.452 1.028 353 HB THR 48 HB THR 48 -7.555 10.073 1.448 354 HG1 THR 48 HG1 THR 48 -7.962 10.921 -0.562 355 HG21 THR 48 3HG2 THR 48 -7.511 11.477 3.445 356 HG22 THR 48 1HG2 THR 48 -9.043 11.684 2.594 357 HG23 THR 48 2HG2 THR 48 -7.788 12.916 2.464 358 H ASN 49 H ASN 49 -5.340 9.058 2.028 359 HA ASN 49 HA ASN 49 -5.015 9.630 4.796 360 HB2 ASN 49 2HB ASN 49 -4.320 7.143 3.225 361 HB3 ASN 49 1HB ASN 49 -4.324 7.252 4.983 362 HD21 ASN 49 1HD2 ASN 49 -5.905 5.540 3.283 363 HD22 ASN 49 2HD2 ASN 49 -7.552 5.901 3.633 364 H SER 50 H SER 50 -2.737 9.552 2.176 365 HA SER 50 HA SER 50 -0.410 8.617 3.178 366 HG SER 50 HG SER 50 1.542 9.464 1.992 367 HB2 SER 50 2HB SER 50 -0.567 9.405 0.897 368 HB3 SER 50 1HB SER 50 -0.731 11.074 1.437 369 HA PRO 51 HA PRO 51 0.926 12.485 5.556 370 HB2 PRO 51 2HB PRO 51 -0.376 14.802 5.492 371 HB3 PRO 51 1HB PRO 51 0.575 14.268 4.099 372 HG2 PRO 51 2HG PRO 51 -2.392 14.173 4.518 373 HG3 PRO 51 1HG PRO 51 -1.478 14.606 3.061 374 HD2 PRO 51 2HD PRO 51 -2.601 12.103 3.571 375 HD3 PRO 51 1HD PRO 51 -1.315 12.430 2.395 376 H ILE 52 H ILE 52 -2.024 11.079 5.986 377 HA ILE 52 HA ILE 52 -2.658 12.500 8.490 378 HB ILE 52 HB ILE 52 -4.464 10.738 6.816 379 HG12 ILE 52 2HG1 ILE 52 -4.404 13.754 7.153 380 HG13 ILE 52 1HG1 ILE 52 -3.905 12.875 5.712 381 HG21 ILE 52 1HG2 ILE 52 -6.265 11.586 8.274 382 HG22 ILE 52 2HG2 ILE 52 -5.062 12.423 9.257 383 HG23 ILE 52 3HG2 ILE 52 -5.065 10.662 9.175 384 HD11 ILE 52 3HD1 ILE 52 -6.209 12.067 5.435 385 HD12 ILE 52 1HD1 ILE 52 -6.100 13.828 5.409 386 HD13 ILE 52 2HD1 ILE 52 -6.689 13.003 6.852 387 H GLU 53 H GLU 53 -1.490 11.466 10.037 388 HA GLU 53 HA GLU 53 -1.041 8.689 10.254 389 HB2 GLU 53 2HB GLU 53 0.360 10.316 11.397 390 HB3 GLU 53 1HB GLU 53 -1.006 10.877 12.346 391 HG2 GLU 53 2HG GLU 53 0.375 9.522 13.738 392 HG3 GLU 53 1HG GLU 53 -1.115 8.640 13.423 393 H ALA 54 H ALA 54 -3.745 10.676 11.194 394 HA ALA 54 HA ALA 54 -4.938 9.182 13.204 395 HB1 ALA 54 3HB ALA 54 -7.030 10.242 12.587 396 HB2 ALA 54 1HB ALA 54 -6.366 10.688 11.015 397 HB3 ALA 54 2HB ALA 54 -5.704 11.402 12.485 398 H ARG 55 H ARG 55 -4.709 8.368 9.826 399 HA ARG 55 HA ARG 55 -6.823 6.337 9.996 400 HE ARG 55 HE ARG 55 -8.648 9.961 7.544 401 HB2 ARG 55 2HB ARG 55 -5.048 7.072 7.649 402 HB3 ARG 55 1HB ARG 55 -6.498 6.081 7.592 403 HG2 ARG 55 2HG ARG 55 -6.439 9.005 8.338 404 HG3 ARG 55 1HG ARG 55 -6.834 8.375 6.739 405 HD2 ARG 55 2HD ARG 55 -8.735 7.141 7.725 406 HD3 ARG 55 1HD ARG 55 -8.353 7.844 9.298 407 HH11 ARG 55 1HH1 ARG 55 -10.646 7.420 8.753 408 HH12 ARG 55 2HH1 ARG 55 -12.094 8.353 8.603 409 HH21 ARG 55 1HH2 ARG 55 -10.515 11.123 7.358 410 HH22 ARG 55 2HH2 ARG 55 -12.024 10.409 7.812 411 H TYR 56 H TYR 56 -4.228 6.083 11.488 412 HA TYR 56 HA TYR 56 -2.505 4.347 10.005 413 HD1 TYR 56 HD2 TYR 56 -3.683 6.610 13.349 414 HD2 TYR 56 HD1 TYR 56 -1.315 3.111 13.876 415 HE1 TYR 56 HE2 TYR 56 -4.392 6.487 15.699 416 HE2 TYR 56 HE1 TYR 56 -2.014 2.985 16.225 417 HH TYR 56 HH TYR 56 -4.584 4.789 17.487 418 HB2 TYR 56 2HB TYR 56 -1.078 4.363 11.901 419 HB3 TYR 56 1HB TYR 56 -1.756 5.977 11.763 420 H ALA 57 H ALA 57 -1.695 2.307 10.797 421 HA ALA 57 HA ALA 57 -3.068 0.784 12.796 422 HB1 ALA 57 3HB ALA 57 -3.232 -0.230 9.947 423 HB2 ALA 57 1HB ALA 57 -4.583 0.442 10.865 424 HB3 ALA 57 2HB ALA 57 -3.813 -1.053 11.395 425 H LYS 58 H LYS 58 -1.157 0.328 13.829 426 HA LYS 58 HA LYS 58 1.054 -0.850 12.257 427 HB2 LYS 58 2HB LYS 58 1.051 0.553 14.942 428 HB3 LYS 58 1HB LYS 58 2.439 -0.335 14.336 429 HG2 LYS 58 2HG LYS 58 2.775 1.998 13.925 430 HG3 LYS 58 1HG LYS 58 2.507 1.194 12.379 431 HD2 LYS 58 2HD LYS 58 0.199 1.978 12.348 432 HD3 LYS 58 1HD LYS 58 0.408 2.714 13.937 433 HE2 LYS 58 2HE LYS 58 2.015 3.499 11.505 434 HE3 LYS 58 1HE LYS 58 0.526 4.303 11.988 435 HZ1 LYS 58 3HZ LYS 58 3.121 4.257 13.406 436 HZ2 LYS 58 1HZ LYS 58 1.682 4.659 14.207 437 HZ3 LYS 58 2HZ LYS 58 2.210 5.591 12.900 438 H GLU 59 H GLU 59 1.642 -2.960 12.593 439 HA GLU 59 HA GLU 59 0.796 -4.308 15.063 440 HB2 GLU 59 2HB GLU 59 0.072 -5.203 12.272 441 HB3 GLU 59 1HB GLU 59 0.081 -6.310 13.636 442 HG2 GLU 59 2HG GLU 59 -1.598 -4.926 14.766 443 HG3 GLU 59 1HG GLU 59 -1.613 -3.831 13.385 444 H VAL 60 H VAL 60 1.744 -6.514 15.279 445 HA VAL 60 HA VAL 60 4.267 -6.872 13.781 446 HB VAL 60 HB VAL 60 3.865 -7.464 16.731 447 HG11 VAL 60 1HG1 VAL 60 6.337 -7.731 15.006 448 HG12 VAL 60 2HG1 VAL 60 5.374 -9.060 15.653 449 HG13 VAL 60 3HG1 VAL 60 6.259 -7.999 16.749 450 HG21 VAL 60 3HG2 VAL 60 5.501 -5.663 17.119 451 HG22 VAL 60 1HG2 VAL 60 4.036 -5.065 16.336 452 HG23 VAL 60 2HG2 VAL 60 5.506 -5.304 15.391 453 H ALA 61 H ALA 61 4.309 -8.763 12.713 454 HA ALA 61 HA ALA 61 2.255 -10.703 12.915 455 HB1 ALA 61 3HB ALA 61 3.602 -12.009 11.336 456 HB2 ALA 61 1HB ALA 61 4.965 -10.921 11.598 457 HB3 ALA 61 2HB ALA 61 3.488 -10.319 10.845 458 H LYS 62 H LYS 62 2.451 -12.960 13.506 459 HA LYS 62 HA LYS 62 3.539 -13.323 16.092 460 HB2 LYS 62 2HB LYS 62 2.481 -15.360 14.120 461 HB3 LYS 62 1HB LYS 62 2.839 -15.699 15.811 462 HG2 LYS 62 2HG LYS 62 1.160 -14.099 16.523 463 HG3 LYS 62 1HG LYS 62 0.835 -13.667 14.841 464 HD2 LYS 62 2HD LYS 62 0.066 -15.952 14.401 465 HD3 LYS 62 1HD LYS 62 0.407 -16.393 16.078 466 HE2 LYS 62 2HE LYS 62 -1.983 -15.918 15.691 467 HE3 LYS 62 1HE LYS 62 -1.259 -14.826 16.870 468 HZ1 LYS 62 3HZ LYS 62 -1.758 -14.188 14.009 469 HZ2 LYS 62 1HZ LYS 62 -1.096 -13.135 15.154 470 HZ3 LYS 62 2HZ LYS 62 -2.695 -13.655 15.313 471 H ASN 63 H ASN 63 5.022 -13.590 13.049 472 HA ASN 63 HA ASN 63 7.130 -15.392 13.914 473 HB2 ASN 63 2HB ASN 63 7.046 -13.642 11.442 474 HB3 ASN 63 1HB ASN 63 8.105 -15.020 11.725 475 HD21 ASN 63 1HD2 ASN 63 6.338 -14.652 9.531 476 HD22 ASN 63 2HD2 ASN 63 5.199 -15.946 9.574 477 H ASP 64 H ASP 64 6.479 -12.545 15.066 478 HA ASP 64 HA ASP 64 7.567 -10.806 16.011 479 HB2 ASP 64 2HB ASP 64 9.943 -12.613 15.549 480 HB3 ASP 64 1HB ASP 64 10.094 -11.041 16.333 481 H LYS 65 H LYS 65 7.159 -11.029 13.065 482 HA LYS 65 HA LYS 65 9.162 -9.116 12.080 483 HB2 LYS 65 2HB LYS 65 7.011 -10.676 10.626 484 HB3 LYS 65 1HB LYS 65 8.105 -9.534 9.856 485 HG2 LYS 65 2HG LYS 65 10.010 -10.919 10.408 486 HG3 LYS 65 1HG LYS 65 8.977 -12.034 11.307 487 HD2 LYS 65 2HD LYS 65 7.796 -12.629 9.265 488 HD3 LYS 65 1HD LYS 65 8.733 -11.449 8.348 489 HE2 LYS 65 2HE LYS 65 10.779 -12.709 8.800 490 HE3 LYS 65 1HE LYS 65 9.862 -13.870 9.762 491 HZ1 LYS 65 3HZ LYS 65 10.249 -14.706 7.541 492 HZ2 LYS 65 1HZ LYS 65 9.502 -13.353 6.862 493 HZ3 LYS 65 2HZ LYS 65 8.599 -14.447 7.779 494 HA PRO 66 HA PRO 66 5.938 -6.060 12.994 495 HB2 PRO 66 2HB PRO 66 7.478 -3.857 12.699 496 HB3 PRO 66 1HB PRO 66 7.582 -4.895 14.125 497 HG2 PRO 66 2HG PRO 66 9.354 -4.822 11.705 498 HG3 PRO 66 1HG PRO 66 9.805 -4.932 13.417 499 HD2 PRO 66 2HD PRO 66 9.711 -7.094 11.756 500 HD3 PRO 66 1HD PRO 66 9.410 -7.202 13.503 501 H TYR 67 H TYR 67 4.530 -4.973 11.717 502 HA TYR 67 HA TYR 67 5.335 -3.858 9.156 503 HD1 TYR 67 HD2 TYR 67 3.769 -7.029 11.013 504 HD2 TYR 67 HD1 TYR 67 1.419 -5.518 7.782 505 HE1 TYR 67 HE2 TYR 67 1.789 -8.158 11.926 506 HE2 TYR 67 HE1 TYR 67 -0.562 -6.642 8.704 507 HH TYR 67 HH TYR 67 -0.866 -7.682 11.722 508 HB2 TYR 67 2HB TYR 67 3.720 -5.071 7.816 509 HB3 TYR 67 1HB TYR 67 4.749 -6.239 8.634 510 H PHE 68 H PHE 68 3.117 -3.002 8.058 511 HA PHE 68 HA PHE 68 1.145 -2.211 10.035 512 HD1 PHE 68 HD2 PHE 68 4.732 -0.739 8.527 513 HD2 PHE 68 HD1 PHE 68 1.104 1.284 7.573 514 HE1 PHE 68 HE2 PHE 68 5.827 0.320 6.597 515 HE2 PHE 68 HE1 PHE 68 2.201 2.341 5.644 516 HZ PHE 68 HZ PHE 68 4.564 1.863 5.156 517 HB2 PHE 68 2HB PHE 68 1.323 0.174 9.647 518 HB3 PHE 68 1HB PHE 68 2.875 -0.435 10.198 519 H ASN 69 H ASN 69 -0.752 -1.209 9.078 520 HA ASN 69 HA ASN 69 -1.047 -1.677 6.191 521 HB2 ASN 69 2HB ASN 69 -3.405 -2.531 6.744 522 HB3 ASN 69 1HB ASN 69 -2.057 -3.606 7.078 523 HD21 ASN 69 1HD2 ASN 69 -4.708 -3.619 8.230 524 HD22 ASN 69 2HD2 ASN 69 -4.492 -3.452 9.933 525 H LEU 70 H LEU 70 -2.629 -0.425 5.141 526 HA LEU 70 HA LEU 70 -3.347 2.044 6.589 527 HG LEU 70 HG LEU 70 -4.366 3.575 4.078 528 HB2 LEU 70 2HB LEU 70 -1.696 2.315 4.754 529 HB3 LEU 70 1HB LEU 70 -2.864 1.653 3.627 530 HD11 LEU 70 1HD1 LEU 70 -2.063 4.600 5.742 531 HD12 LEU 70 2HD1 LEU 70 -3.654 4.122 6.336 532 HD13 LEU 70 3HD1 LEU 70 -3.491 5.529 5.285 533 HD21 LEU 70 3HD2 LEU 70 -3.073 5.231 2.846 534 HD22 LEU 70 1HD2 LEU 70 -2.809 3.618 2.184 535 HD23 LEU 70 2HD2 LEU 70 -1.582 4.362 3.210 536 H LYS 71 H LYS 71 -5.428 2.740 6.569 537 HA LYS 71 HA LYS 71 -7.411 1.043 5.176 538 HB2 LYS 71 2HB LYS 71 -7.638 2.193 7.965 539 HB3 LYS 71 1HB LYS 71 -8.848 1.210 7.153 540 HG2 LYS 71 2HG LYS 71 -7.348 -0.699 7.167 541 HG3 LYS 71 1HG LYS 71 -6.074 0.281 7.899 542 HD2 LYS 71 2HD LYS 71 -7.526 0.650 9.870 543 HD3 LYS 71 1HD LYS 71 -8.752 -0.390 9.142 544 HE2 LYS 71 2HE LYS 71 -7.184 -2.270 9.183 545 HE3 LYS 71 1HE LYS 71 -5.947 -1.231 9.888 546 HZ1 LYS 71 3HZ LYS 71 -7.404 -0.918 11.814 547 HZ2 LYS 71 1HZ LYS 71 -7.004 -2.545 11.580 548 HZ3 LYS 71 2HZ LYS 71 -8.537 -1.976 11.141 549 H ALA 72 H ALA 72 -9.184 2.035 4.297 550 HA ALA 72 HA ALA 72 -9.187 4.869 3.902 551 HB1 ALA 72 3HB ALA 72 -10.054 3.301 2.214 552 HB2 ALA 72 1HB ALA 72 -11.247 4.521 2.659 553 HB3 ALA 72 2HB ALA 72 -11.384 2.882 3.294 554 H ALA 73 H ALA 73 -11.563 5.949 4.210 555 HA ALA 73 HA ALA 73 -11.713 6.707 6.852 556 HB1 ALA 73 3HB ALA 73 -13.967 6.781 4.849 557 HB2 ALA 73 1HB ALA 73 -12.680 7.976 5.004 558 HB3 ALA 73 2HB ALA 73 -13.841 7.757 6.314 559 H ASN 74 H ASN 74 -13.588 4.102 5.306 560 HA ASN 74 HA ASN 74 -15.090 3.576 7.739 561 HB2 ASN 74 2HB ASN 74 -16.054 3.310 5.432 562 HB3 ASN 74 1HB ASN 74 -14.994 1.923 5.207 563 HD21 ASN 74 1HD2 ASN 74 -16.688 0.485 4.980 564 HD22 ASN 74 2HD2 ASN 74 -17.691 0.024 6.306 565 H HIS 75 H HIS 75 -12.018 3.088 7.231 566 HA HIS 75 HA HIS 75 -10.419 1.848 8.267 567 HD1 HIS 75 HD1 HIS 75 -9.707 2.137 11.167 568 HD2 HIS 75 HD2 HIS 75 -13.779 2.869 10.764 569 HE1 HIS 75 HE1 HIS 75 -10.197 4.072 12.685 570 HE2 HIS 75 HE2 HIS 75 -12.609 4.627 12.248 571 HB2 HIS 75 2HB HIS 75 -12.772 0.548 9.647 572 HB3 HIS 75 1HB HIS 75 -11.093 0.191 10.031 573 H GLN 76 H GLN 76 -11.950 0.938 5.793 574 HA GLN 76 HA GLN 76 -11.582 -1.913 5.732 575 HB2 GLN 76 2HB GLN 76 -12.191 -1.726 3.370 576 HB3 GLN 76 1HB GLN 76 -13.312 -0.820 4.380 577 HG2 GLN 76 2HG GLN 76 -11.765 1.200 3.822 578 HG3 GLN 76 1HG GLN 76 -11.229 0.188 2.482 579 HE21 GLN 76 1HE2 GLN 76 -13.827 2.020 3.828 580 HE22 GLN 76 2HE2 GLN 76 -14.849 1.993 2.436 581 H ILE 77 H ILE 77 -9.856 -3.061 4.946 582 HA ILE 77 HA ILE 77 -7.304 -1.860 4.874 583 HB ILE 77 HB ILE 77 -8.133 -4.580 3.840 584 HG12 ILE 77 2HG1 ILE 77 -8.678 -4.277 6.216 585 HG13 ILE 77 1HG1 ILE 77 -7.347 -5.413 6.025 586 HG21 ILE 77 1HG2 ILE 77 -5.768 -5.193 4.122 587 HG22 ILE 77 2HG2 ILE 77 -5.392 -3.522 4.539 588 HG23 ILE 77 3HG2 ILE 77 -5.980 -3.916 2.924 589 HD11 ILE 77 3HD1 ILE 77 -6.942 -3.940 7.888 590 HD12 ILE 77 1HD1 ILE 77 -7.129 -2.525 6.850 591 HD13 ILE 77 2HD1 ILE 77 -5.768 -3.624 6.610 592 H ILE 78 H ILE 78 -6.679 -0.465 3.328 593 HA ILE 78 HA ILE 78 -7.273 -1.102 0.509 594 HB ILE 78 HB ILE 78 -6.658 1.218 -0.016 595 HG12 ILE 78 2HG1 ILE 78 -6.357 1.556 2.986 596 HG13 ILE 78 1HG1 ILE 78 -5.042 1.586 1.815 597 HG21 ILE 78 1HG2 ILE 78 -8.603 2.312 1.056 598 HG22 ILE 78 2HG2 ILE 78 -8.747 0.933 2.149 599 HG23 ILE 78 3HG2 ILE 78 -8.984 0.713 0.415 600 HD11 ILE 78 3HD1 ILE 78 -5.622 3.823 2.490 601 HD12 ILE 78 1HD1 ILE 78 -7.300 3.567 2.018 602 HD13 ILE 78 2HD1 ILE 78 -6.031 3.588 0.791 603 H GLY 79 H GLY 79 -4.679 -0.903 2.811 604 HA2 GLY 79 2HA GLY 79 -2.858 -1.944 0.771 605 HA3 GLY 79 1HA GLY 79 -2.382 -0.433 1.524 606 H THR 80 H THR 80 -1.364 -3.356 1.558 607 HA THR 80 HA THR 80 -0.829 -3.357 4.471 608 HB THR 80 HB THR 80 -0.483 -5.923 4.144 609 HG1 THR 80 HG1 THR 80 -1.003 -5.560 1.754 610 HG21 THR 80 3HG2 THR 80 -2.858 -6.355 4.684 611 HG22 THR 80 1HG2 THR 80 -3.231 -4.682 4.264 612 HG23 THR 80 2HG2 THR 80 -2.162 -5.035 5.625 613 H SER 81 H SER 81 1.251 -3.006 4.870 614 HA SER 81 HA SER 81 3.280 -3.132 2.888 615 HG SER 81 HG SER 81 4.243 -0.779 4.542 616 HB2 SER 81 2HB SER 81 3.481 -2.952 5.907 617 HB3 SER 81 1HB SER 81 4.844 -2.755 4.804 618 H GLN 82 H GLN 82 5.306 -4.410 3.124 619 HA GLN 82 HA GLN 82 4.759 -7.217 3.520 620 HB2 GLN 82 2HB GLN 82 7.140 -7.518 2.858 621 HB3 GLN 82 1HB GLN 82 6.205 -6.599 1.688 622 HG2 GLN 82 2HG GLN 82 7.219 -4.553 2.356 623 HG3 GLN 82 1HG GLN 82 7.961 -5.307 3.767 624 HE21 GLN 82 1HE2 GLN 82 9.169 -3.860 1.483 625 HE22 GLN 82 2HE2 GLN 82 10.339 -4.954 0.833 626 H MET 83 H MET 83 6.006 -8.596 4.966 627 HA MET 83 HA MET 83 6.196 -7.572 7.611 628 HB2 MET 83 2HB MET 83 7.280 -10.166 6.477 629 HB3 MET 83 1HB MET 83 7.083 -9.801 8.186 630 HG2 MET 83 2HG MET 83 4.875 -10.024 6.150 631 HG3 MET 83 1HG MET 83 5.282 -11.215 7.383 632 HE1 MET 83 3HE MET 83 2.352 -9.983 6.897 633 HE2 MET 83 1HE MET 83 1.817 -9.700 8.554 634 HE3 MET 83 2HE MET 83 2.671 -11.186 8.147 635 H TYR 84 H TYR 84 7.737 -6.153 8.200 636 HA TYR 84 HA TYR 84 10.274 -6.006 6.828 637 HD1 TYR 84 HD2 TYR 84 10.432 -3.490 5.816 638 HD2 TYR 84 HD1 TYR 84 7.182 -3.555 8.569 639 HE1 TYR 84 HE2 TYR 84 9.116 -2.078 4.292 640 HE2 TYR 84 HE1 TYR 84 5.864 -2.144 7.051 641 HH TYR 84 HH TYR 84 6.707 -1.594 3.835 642 HB2 TYR 84 2HB TYR 84 9.260 -4.448 9.222 643 HB3 TYR 84 1HB TYR 84 10.715 -4.078 8.304 644 H SER 85 H SER 85 12.348 -5.915 7.986 645 HA SER 85 HA SER 85 12.660 -8.147 9.797 646 HG SER 85 HG SER 85 15.617 -5.678 9.260 647 HB2 SER 85 2HB SER 85 15.076 -7.670 9.635 648 HB3 SER 85 1HB SER 85 14.329 -7.735 8.040 649 H SER 86 H SER 86 13.052 -4.619 10.018 650 HA SER 86 HA SER 86 13.146 -4.880 12.966 651 HG SER 86 HG SER 86 15.443 -2.365 10.788 652 HB2 SER 86 2HB SER 86 14.605 -2.944 13.085 653 HB3 SER 86 1HB SER 86 15.322 -4.125 11.988 654 H THR 87 H THR 87 12.301 -3.009 14.171 655 HA THR 87 HA THR 87 9.828 -2.027 13.156 656 HB THR 87 HB THR 87 9.744 -0.592 15.160 657 HG1 THR 87 HG1 THR 87 11.576 -0.834 16.665 658 HG21 THR 87 3HG2 THR 87 10.750 -3.376 15.778 659 HG22 THR 87 1HG2 THR 87 9.088 -2.953 15.362 660 HG23 THR 87 2HG2 THR 87 9.804 -2.351 16.858 661 H ALA 88 H ALA 88 13.085 -0.695 13.338 662 HA ALA 88 HA ALA 88 12.577 1.958 12.619 663 HB1 ALA 88 3HB ALA 88 14.764 1.139 13.384 664 HB2 ALA 88 1HB ALA 88 14.894 2.042 11.875 665 HB3 ALA 88 2HB ALA 88 14.973 0.279 11.859 666 H ALA 89 H ALA 89 13.110 -0.891 10.537 667 HA ALA 89 HA ALA 89 12.861 0.384 8.046 668 HB1 ALA 89 3HB ALA 89 12.054 -2.430 8.807 669 HB2 ALA 89 1HB ALA 89 13.653 -1.913 8.270 670 HB3 ALA 89 2HB ALA 89 12.283 -1.838 7.160 671 H ARG 90 H ARG 90 10.386 -0.998 10.181 672 HA ARG 90 HA ARG 90 8.128 -0.509 8.581 673 HE ARG 90 HE ARG 90 7.072 0.080 13.145 674 HB2 ARG 90 2HB ARG 90 8.101 -1.926 10.598 675 HB3 ARG 90 1HB ARG 90 8.345 -0.503 11.604 676 HG2 ARG 90 2HG ARG 90 6.172 0.388 10.714 677 HG3 ARG 90 1HG ARG 90 5.928 -1.176 9.933 678 HD2 ARG 90 2HD ARG 90 4.735 -1.168 12.023 679 HD3 ARG 90 1HD ARG 90 6.112 -2.258 12.167 680 HH11 ARG 90 1HH1 ARG 90 4.292 -1.829 13.884 681 HH12 ARG 90 2HH1 ARG 90 4.217 -1.265 15.517 682 HH21 ARG 90 1HH2 ARG 90 6.970 0.762 15.249 683 HH22 ARG 90 2HH2 ARG 90 5.731 0.148 16.290 684 H ASP 91 H ASP 91 9.570 1.499 11.151 685 HA ASP 91 HA ASP 91 7.773 3.633 11.046 686 HB2 ASP 91 2HB ASP 91 9.337 3.339 12.891 687 HB3 ASP 91 1HB ASP 91 10.704 3.612 11.813 688 H ASN 92 H ASN 92 11.001 3.422 9.493 689 HA ASN 92 HA ASN 92 10.704 5.814 8.018 690 HB2 ASN 92 2HB ASN 92 12.544 3.450 7.678 691 HB3 ASN 92 1HB ASN 92 12.594 4.839 6.594 692 HD21 ASN 92 1HD2 ASN 92 13.253 3.695 9.798 693 HD22 ASN 92 2HD2 ASN 92 14.122 5.089 10.328 694 H GLY 93 H GLY 93 9.617 2.555 7.385 695 HA2 GLY 93 2HA GLY 93 8.870 2.872 4.674 696 HA3 GLY 93 1HA GLY 93 8.097 1.791 5.831 697 H ILE 94 H ILE 94 6.936 3.315 7.647 698 HA ILE 94 HA ILE 94 4.638 4.421 6.534 699 HB ILE 94 HB ILE 94 5.892 5.146 9.198 700 HG12 ILE 94 2HG1 ILE 94 3.832 3.008 8.572 701 HG13 ILE 94 1HG1 ILE 94 5.543 2.690 8.826 702 HG21 ILE 94 1HG2 ILE 94 3.604 5.705 9.895 703 HG22 ILE 94 2HG2 ILE 94 3.021 5.359 8.266 704 HG23 ILE 94 3HG2 ILE 94 4.125 6.708 8.540 705 HD11 ILE 94 3HD1 ILE 94 3.686 3.894 10.863 706 HD12 ILE 94 1HD1 ILE 94 5.380 3.469 11.107 707 HD13 ILE 94 2HD1 ILE 94 4.188 2.206 10.800 708 H LYS 95 H LYS 95 7.522 6.120 7.760 709 HA LYS 95 HA LYS 95 6.872 8.737 7.136 710 HB2 LYS 95 2HB LYS 95 9.548 7.323 7.003 711 HB3 LYS 95 1HB LYS 95 9.369 9.067 6.860 712 HG2 LYS 95 2HG LYS 95 8.598 9.270 9.095 713 HG3 LYS 95 1HG LYS 95 8.372 7.527 9.251 714 HD2 LYS 95 2HD LYS 95 10.388 8.340 10.432 715 HD3 LYS 95 1HD LYS 95 10.765 7.166 9.174 716 HE2 LYS 95 2HE LYS 95 11.356 9.042 7.660 717 HE3 LYS 95 1HE LYS 95 11.060 10.166 8.987 718 HZ1 LYS 95 3HZ LYS 95 13.060 7.973 9.083 719 HZ2 LYS 95 1HZ LYS 95 12.847 9.205 10.221 720 HZ3 LYS 95 2HZ LYS 95 13.424 9.569 8.672 721 H SER 96 H SER 96 8.455 6.335 5.027 722 HA SER 96 HA SER 96 8.637 7.978 2.737 723 HG SER 96 HG SER 96 10.414 5.406 3.807 724 HB2 SER 96 2HB SER 96 8.530 4.954 2.933 725 HB3 SER 96 1HB SER 96 8.969 5.855 1.481 726 H VAL 97 H VAL 97 6.002 5.992 3.968 727 HA VAL 97 HA VAL 97 4.325 6.152 1.674 728 HB VAL 97 HB VAL 97 3.557 5.892 4.591 729 HG11 VAL 97 1HG1 VAL 97 1.405 5.017 3.764 730 HG12 VAL 97 2HG1 VAL 97 1.903 5.385 2.111 731 HG13 VAL 97 3HG1 VAL 97 1.664 6.692 3.271 732 HG21 VAL 97 3HG2 VAL 97 3.906 3.791 2.460 733 HG22 VAL 97 1HG2 VAL 97 3.333 3.504 4.104 734 HG23 VAL 97 2HG2 VAL 97 4.979 4.073 3.830 735 H MET 98 H MET 98 4.654 8.191 4.563 736 HA MET 98 HA MET 98 2.692 10.107 3.889 737 HB2 MET 98 2HB MET 98 5.209 10.457 5.541 738 HB3 MET 98 1HB MET 98 3.842 11.563 5.518 739 HG2 MET 98 2HG MET 98 2.401 9.835 6.443 740 HG3 MET 98 1HG MET 98 3.743 8.690 6.427 741 HE1 MET 98 3HE MET 98 2.324 12.004 7.969 742 HE2 MET 98 1HE MET 98 3.895 12.535 7.370 743 HE3 MET 98 2HE MET 98 3.595 12.455 9.106 744 H GLU 99 H GLU 99 5.970 9.649 2.819 745 HA GLU 99 HA GLU 99 6.193 12.260 1.575 746 HB2 GLU 99 2HB GLU 99 7.977 9.820 1.438 747 HB3 GLU 99 1HB GLU 99 8.362 11.387 0.738 748 HG2 GLU 99 2HG GLU 99 8.366 12.399 2.949 749 HG3 GLU 99 1HG GLU 99 7.925 10.851 3.671 750 H ASN 100 H ASN 100 5.572 8.926 0.458 751 HA ASN 100 HA ASN 100 5.526 9.947 -2.316 752 HB2 ASN 100 2HB ASN 100 6.223 7.145 -1.419 753 HB3 ASN 100 1HB ASN 100 6.272 7.759 -3.073 754 HD21 ASN 100 1HD2 ASN 100 7.883 7.594 -0.061 755 HD22 ASN 100 2HD2 ASN 100 9.309 8.447 -0.526 756 H GLY 101 H GLY 101 3.577 8.409 0.065 757 HA2 GLY 101 2HA GLY 101 1.838 6.857 -1.479 758 HA3 GLY 101 1HA GLY 101 1.384 7.695 -0.004 759 H LYS 102 H LYS 102 2.105 10.297 -1.235 760 HA LYS 102 HA LYS 102 -0.364 10.744 -2.744 761 HB2 LYS 102 2HB LYS 102 0.157 13.173 -2.251 762 HB3 LYS 102 1HB LYS 102 -0.165 12.165 -0.847 763 HG2 LYS 102 2HG LYS 102 2.302 11.949 -0.517 764 HG3 LYS 102 1HG LYS 102 2.527 13.109 -1.827 765 HD2 LYS 102 2HD LYS 102 1.293 14.799 -0.568 766 HD3 LYS 102 1HD LYS 102 1.000 13.638 0.731 767 HE2 LYS 102 2HE LYS 102 3.431 13.456 1.087 768 HE3 LYS 102 1HE LYS 102 3.696 14.648 -0.182 769 HZ1 LYS 102 3HZ LYS 102 2.211 15.139 2.343 770 HZ2 LYS 102 1HZ LYS 102 2.520 16.278 1.136 771 HZ3 LYS 102 2HZ LYS 102 3.796 15.624 2.030 772 H THR 103 H THR 103 1.899 9.494 -4.098 773 HA THR 103 HA THR 103 2.896 11.576 -5.912 774 HB THR 103 HB THR 103 4.463 9.779 -5.205 775 HG1 THR 103 HG1 THR 103 5.385 9.716 -7.183 776 HG21 THR 103 3HG2 THR 103 2.701 7.969 -6.876 777 HG22 THR 103 1HG2 THR 103 2.855 7.909 -5.119 778 HG23 THR 103 2HG2 THR 103 4.241 7.529 -6.140 779 H THR 104 H THR 104 2.772 11.183 -8.306 780 HA THR 104 HA THR 104 0.045 10.255 -8.973 781 HB THR 104 HB THR 104 0.093 11.824 -10.869 782 HG1 THR 104 HG1 THR 104 1.983 13.459 -10.502 783 HG21 THR 104 3HG2 THR 104 0.802 13.135 -8.234 784 HG22 THR 104 1HG2 THR 104 -0.805 12.581 -8.706 785 HG23 THR 104 2HG2 THR 104 -0.036 13.907 -9.581 786 H THR 105 H THR 105 3.281 9.422 -9.436 787 HA THR 105 HA THR 105 3.095 8.463 -12.145 788 HB THR 105 HB THR 105 5.110 7.690 -10.014 789 HG1 THR 105 HG1 THR 105 5.009 9.807 -11.908 790 HG21 THR 105 3HG2 THR 105 6.526 7.030 -11.906 791 HG22 THR 105 1HG2 THR 105 5.227 7.434 -13.028 792 HG23 THR 105 2HG2 THR 105 5.028 6.101 -11.889 793 H ILE 106 H ILE 106 1.639 6.893 -12.583 794 HA ILE 106 HA ILE 106 1.642 4.474 -10.882 795 HB ILE 106 HB ILE 106 -0.783 5.669 -12.252 796 HG12 ILE 106 2HG1 ILE 106 -0.105 5.521 -9.297 797 HG13 ILE 106 1HG1 ILE 106 -0.023 6.979 -10.280 798 HG21 ILE 106 1HG2 ILE 106 -2.052 3.939 -11.044 799 HG22 ILE 106 2HG2 ILE 106 -0.542 3.271 -10.421 800 HG23 ILE 106 3HG2 ILE 106 -0.877 3.228 -12.153 801 HD11 ILE 106 3HD1 ILE 106 -2.435 6.857 -10.657 802 HD12 ILE 106 1HD1 ILE 106 -2.040 6.938 -8.941 803 HD13 ILE 106 2HD1 ILE 106 -2.514 5.401 -9.663 804 H LYS 107 H LYS 107 2.564 2.899 -12.032 805 HA LYS 107 HA LYS 107 2.404 2.805 -14.936 806 HB2 LYS 107 2HB LYS 107 3.819 0.955 -12.994 807 HB3 LYS 107 1HB LYS 107 4.018 0.960 -14.741 808 HG2 LYS 107 2HG LYS 107 5.015 3.171 -14.655 809 HG3 LYS 107 1HG LYS 107 4.742 3.250 -12.912 810 HD2 LYS 107 2HD LYS 107 6.228 1.302 -12.608 811 HD3 LYS 107 1HD LYS 107 6.518 1.262 -14.348 812 HE2 LYS 107 2HE LYS 107 7.147 3.632 -12.589 813 HE3 LYS 107 1HE LYS 107 8.314 2.378 -13.000 814 HZ1 LYS 107 3HZ LYS 107 6.894 4.059 -14.995 815 HZ2 LYS 107 1HZ LYS 107 8.139 2.953 -15.299 816 HZ3 LYS 107 2HZ LYS 107 8.455 4.362 -14.421 817 H ASP 108 H ASP 108 1.049 1.513 -16.075 818 HA ASP 108 HA ASP 108 -0.655 -0.386 -14.618 819 HB2 ASP 108 2HB ASP 108 -1.562 1.416 -16.202 820 HB3 ASP 108 1HB ASP 108 -0.926 0.434 -17.517 821 H LEU 109 H LEU 109 0.132 -2.412 -14.491 822 HA LEU 109 HA LEU 109 1.478 -3.574 -16.859 823 HG LEU 109 HG LEU 109 2.933 -2.268 -14.347 824 HB2 LEU 109 2HB LEU 109 1.737 -4.392 -13.958 825 HB3 LEU 109 1HB LEU 109 2.588 -5.117 -15.309 826 HD11 LEU 109 1HD1 LEU 109 4.749 -4.665 -14.068 827 HD12 LEU 109 2HD1 LEU 109 3.842 -3.889 -12.770 828 HD13 LEU 109 3HD1 LEU 109 5.136 -3.013 -13.587 829 HD21 LEU 109 3HD2 LEU 109 3.296 -2.479 -16.759 830 HD22 LEU 109 1HD2 LEU 109 4.428 -3.803 -16.483 831 HD23 LEU 109 2HD2 LEU 109 4.812 -2.178 -15.913 832 H THR 110 H THR 110 -1.481 -3.487 -15.772 833 HA THR 110 HA THR 110 -2.062 -6.307 -15.355 834 HB THR 110 HB THR 110 -4.384 -5.644 -15.071 835 HG1 THR 110 HG1 THR 110 -3.491 -3.274 -16.286 836 HG21 THR 110 3HG2 THR 110 -2.940 -5.374 -13.148 837 HG22 THR 110 1HG2 THR 110 -4.121 -4.069 -13.184 838 HG23 THR 110 2HG2 THR 110 -2.462 -3.766 -13.692 839 H LEU 111 H LEU 111 -2.104 -4.071 -17.981 840 HA LEU 111 HA LEU 111 -4.076 -5.407 -19.568 841 HG LEU 111 HG LEU 111 -3.336 -2.396 -18.663 842 HB2 LEU 111 2HB LEU 111 -1.980 -3.409 -20.431 843 HB3 LEU 111 1HB LEU 111 -3.431 -3.843 -21.319 844 HD11 LEU 111 1HD1 LEU 111 -4.069 -1.423 -21.423 845 HD12 LEU 111 2HD1 LEU 111 -2.637 -0.976 -20.493 846 HD13 LEU 111 3HD1 LEU 111 -4.239 -0.497 -19.931 847 HD21 LEU 111 3HD2 LEU 111 -5.756 -2.147 -18.906 848 HD22 LEU 111 1HD2 LEU 111 -5.297 -3.848 -18.801 849 HD23 LEU 111 2HD2 LEU 111 -5.719 -3.143 -20.362 850 H GLU 112 H GLU 112 -0.555 -4.994 -20.148 851 HA GLU 112 HA GLU 112 -0.709 -7.252 -22.028 852 HB2 GLU 112 2HB GLU 112 1.385 -5.082 -21.809 853 HB3 GLU 112 1HB GLU 112 1.336 -6.346 -23.035 854 HG2 GLU 112 2HG GLU 112 -0.809 -5.459 -23.844 855 HG3 GLU 112 1HG GLU 112 -0.723 -4.178 -22.632 856 H HIS 113 H HIS 113 1.360 -8.485 -22.325 857 HA HIS 113 HA HIS 113 2.342 -9.390 -19.693 858 HD1 HIS 113 HD1 HIS 113 2.163 -12.068 -18.749 859 HD2 HIS 113 HD2 HIS 113 4.197 -12.638 -22.325 860 HE1 HIS 113 HE1 HIS 113 3.754 -13.956 -18.322 861 HE2 HIS 113 HE2 HIS 113 4.892 -14.362 -20.527 862 HB2 HIS 113 2HB HIS 113 1.032 -11.022 -21.005 863 HB3 HIS 113 1HB HIS 113 2.148 -10.848 -22.351 864 H HIS 114 H HIS 114 3.582 -7.125 -20.991 865 HA HIS 114 HA HIS 114 6.043 -8.179 -22.209 866 HD1 HIS 114 HD1 HIS 114 5.334 -8.182 -24.407 867 HD2 HIS 114 HD2 HIS 114 3.383 -4.554 -23.882 868 HE1 HIS 114 HE1 HIS 114 3.669 -8.039 -26.276 869 HE2 HIS 114 HE2 HIS 114 2.602 -5.774 -26.021 870 HB2 HIS 114 2HB HIS 114 5.101 -5.312 -21.926 871 HB3 HIS 114 1HB HIS 114 6.511 -5.851 -22.834 872 H HIS 115 H HIS 115 5.366 -8.218 -19.224 873 HA HIS 115 HA HIS 115 7.107 -6.367 -17.936 874 HD1 HIS 115 HD1 HIS 115 7.483 -9.385 -14.835 875 HD2 HIS 115 HD2 HIS 115 6.421 -5.384 -15.225 876 HE1 HIS 115 HE1 HIS 115 8.333 -8.257 -12.760 877 HE2 HIS 115 HE2 HIS 115 7.798 -5.819 -13.080 878 HB2 HIS 115 2HB HIS 115 5.140 -7.474 -16.852 879 HB3 HIS 115 1HB HIS 115 6.047 -8.980 -16.837 880 H HIS 116 H HIS 116 7.736 -9.224 -19.652 881 HA HIS 116 HA HIS 116 9.621 -10.374 -20.136 882 HD1 HIS 116 HD1 HIS 116 10.803 -6.048 -19.552 883 HD2 HIS 116 HD2 HIS 116 10.694 -9.104 -22.365 884 HE1 HIS 116 HE1 HIS 116 10.550 -4.911 -21.772 885 HE2 HIS 116 HE2 HIS 116 10.294 -6.784 -23.427 886 HB2 HIS 116 2HB HIS 116 11.054 -8.268 -18.493 887 HB3 HIS 116 1HB HIS 116 11.828 -9.442 -19.556 888 H HIS 117 H HIS 117 10.414 -9.300 -16.814 889 HA HIS 117 HA HIS 117 11.246 -11.866 -15.957 890 HD1 HIS 117 HD1 HIS 117 9.481 -11.540 -12.592 891 HD2 HIS 117 HD2 HIS 117 13.572 -11.151 -13.198 892 HE1 HIS 117 HE1 HIS 117 10.559 -12.791 -10.707 893 HE2 HIS 117 HE2 HIS 117 13.026 -12.437 -11.023 894 HB2 HIS 117 2HB HIS 117 11.955 -9.753 -14.867 895 HB3 HIS 117 1HB HIS 117 10.316 -9.528 -14.261 896 H HIS 118 H HIS 118 10.144 -13.553 -15.108 897 HA HIS 118 HA HIS 118 7.347 -13.179 -14.300 898 HD1 HIS 118 HD1 HIS 118 9.131 -13.776 -18.024 899 HD2 HIS 118 HD2 HIS 118 8.629 -17.385 -16.024 900 HE1 HIS 118 HE1 HIS 118 10.701 -15.385 -19.140 901 HE2 HIS 118 HE2 HIS 118 10.251 -17.596 -18.031 902 HB2 HIS 118 2HB HIS 118 6.778 -15.330 -15.567 903 HB3 HIS 118 1HB HIS 118 7.020 -13.875 -16.526 Start of MODEL 8 1 HA MET 1 HA MET 1 12.765 12.031 -4.344 2 H1 MET 1 1H MET 1 13.418 14.089 -3.286 3 H2 MET 1 2H MET 1 12.164 13.936 -2.162 4 H3 MET 1 3H MET 1 11.810 14.137 -3.801 5 HB2 MET 1 2HB MET 1 13.493 10.504 -2.509 6 HB3 MET 1 1HB MET 1 14.525 11.908 -2.723 7 HG2 MET 1 2HG MET 1 13.503 12.981 -0.795 8 HG3 MET 1 1HG MET 1 12.409 11.613 -0.597 9 HE1 MET 1 3HE MET 1 16.151 12.821 -0.468 10 HE2 MET 1 1HE MET 1 16.229 11.478 -1.610 11 HE3 MET 1 2HE MET 1 16.988 11.335 -0.023 12 H SER 2 H SER 2 10.940 11.125 -5.010 13 HA SER 2 HA SER 2 8.979 10.187 -3.024 14 HG SER 2 HG SER 2 7.487 13.206 -4.230 15 HB2 SER 2 2HB SER 2 8.308 11.690 -5.570 16 HB3 SER 2 1HB SER 2 7.124 10.833 -4.585 17 H GLY 3 H GLY 3 7.298 8.694 -4.232 18 HA2 GLY 3 2HA GLY 3 8.886 6.879 -5.956 19 HA3 GLY 3 1HA GLY 3 7.745 6.324 -4.745 20 H TRP 4 H TRP 4 6.496 5.125 -6.171 21 HA TRP 4 HA TRP 4 4.488 6.596 -7.606 22 HD1 TRP 4 HD1 TRP 4 5.320 2.984 -10.085 23 HE1 TRP 4 HE1 TRP 4 7.481 1.601 -10.276 24 HE3 TRP 4 HE3 TRP 4 8.682 6.494 -8.475 25 HZ2 TRP 4 HZ2 TRP 4 10.238 1.950 -9.811 26 HZ3 TRP 4 HZ3 TRP 4 11.062 5.884 -8.380 27 HH2 TRP 4 HH2 TRP 4 11.825 3.657 -9.035 28 HB2 TRP 4 2HB TRP 4 4.882 5.597 -9.819 29 HB3 TRP 4 1HB TRP 4 6.230 6.606 -9.318 30 H TYR 5 H TYR 5 2.824 5.136 -8.585 31 HA TYR 5 HA TYR 5 2.564 2.668 -6.975 32 HD1 TYR 5 HD1 TYR 5 1.232 6.399 -7.098 33 HD2 TYR 5 HD2 TYR 5 0.029 2.879 -5.024 34 HE1 TYR 5 HE1 TYR 5 1.010 7.701 -5.025 35 HE2 TYR 5 HE2 TYR 5 -0.191 4.174 -2.944 36 HH TYR 5 HH TYR 5 -0.036 7.633 -2.901 37 HB2 TYR 5 2HB TYR 5 0.433 4.366 -8.307 38 HB3 TYR 5 1HB TYR 5 0.123 2.884 -7.415 39 H GLU 6 H GLU 6 2.562 0.725 -7.999 40 HA GLU 6 HA GLU 6 2.034 0.662 -10.912 41 HB2 GLU 6 2HB GLU 6 3.781 -1.146 -9.227 42 HB3 GLU 6 1HB GLU 6 3.364 -1.480 -10.901 43 HG2 GLU 6 2HG GLU 6 4.447 0.646 -11.554 44 HG3 GLU 6 1HG GLU 6 4.927 0.883 -9.875 45 H LEU 7 H LEU 7 0.133 -0.227 -11.440 46 HA LEU 7 HA LEU 7 -1.265 -1.984 -9.566 47 HG LEU 7 HG LEU 7 -3.374 -2.943 -11.475 48 HB2 LEU 7 2HB LEU 7 -2.507 -0.170 -10.656 49 HB3 LEU 7 1HB LEU 7 -2.120 -0.836 -12.232 50 HD11 LEU 7 1HD1 LEU 7 -3.433 -2.453 -9.089 51 HD12 LEU 7 2HD1 LEU 7 -5.058 -2.639 -9.745 52 HD13 LEU 7 3HD1 LEU 7 -4.427 -1.029 -9.397 53 HD21 LEU 7 3HD2 LEU 7 -4.931 -0.383 -11.841 54 HD22 LEU 7 1HD2 LEU 7 -5.535 -2.019 -12.107 55 HD23 LEU 7 2HD2 LEU 7 -4.249 -1.379 -13.129 56 H SER 8 H SER 8 -1.440 -4.160 -9.798 57 HA SER 8 HA SER 8 -0.522 -5.363 -12.337 58 HG SER 8 HG SER 8 -0.475 -5.780 -8.796 59 HB2 SER 8 2HB SER 8 0.417 -7.240 -11.072 60 HB3 SER 8 1HB SER 8 1.129 -5.721 -10.524 61 H LYS 9 H LYS 9 -1.386 -7.488 -12.841 62 HA LYS 9 HA LYS 9 -4.210 -7.688 -12.023 63 HB2 LYS 9 2HB LYS 9 -3.380 -7.295 -14.479 64 HB3 LYS 9 1HB LYS 9 -3.040 -9.016 -14.464 65 HG2 LYS 9 2HG LYS 9 -5.759 -7.982 -13.724 66 HG3 LYS 9 1HG LYS 9 -5.293 -8.175 -15.412 67 HD2 LYS 9 2HD LYS 9 -5.228 -10.374 -13.344 68 HD3 LYS 9 1HD LYS 9 -6.533 -10.113 -14.502 69 HE2 LYS 9 2HE LYS 9 -4.963 -10.448 -16.349 70 HE3 LYS 9 1HE LYS 9 -3.655 -10.715 -15.195 71 HZ1 LYS 9 3HZ LYS 9 -4.821 -12.659 -14.367 72 HZ2 LYS 9 1HZ LYS 9 -4.553 -12.798 -16.032 73 HZ3 LYS 9 2HZ LYS 9 -6.094 -12.399 -15.458 74 H SER 10 H SER 10 -4.981 -9.505 -11.062 75 HA SER 10 HA SER 10 -2.992 -11.449 -10.167 76 HG SER 10 HG SER 10 -4.230 -12.294 -7.531 77 HB2 SER 10 2HB SER 10 -4.342 -10.411 -8.442 78 HB3 SER 10 1HB SER 10 -5.828 -10.918 -9.244 79 H SER 11 H SER 11 -3.938 -13.718 -9.702 80 HA SER 11 HA SER 11 -4.361 -15.043 -12.163 81 HG SER 11 HG SER 11 -5.190 -16.896 -8.719 82 HB2 SER 11 2HB SER 11 -4.687 -17.071 -10.754 83 HB3 SER 11 1HB SER 11 -3.257 -16.152 -10.281 84 H ASN 12 H ASN 12 -6.554 -14.148 -9.540 85 HA ASN 12 HA ASN 12 -8.885 -15.293 -10.815 86 HB2 ASN 12 2HB ASN 12 -8.680 -13.358 -8.493 87 HB3 ASN 12 1HB ASN 12 -10.132 -14.227 -8.977 88 HD21 ASN 12 1HD2 ASN 12 -8.724 -14.274 -6.447 89 HD22 ASN 12 2HD2 ASN 12 -8.284 -15.922 -6.171 90 H ASP 13 H ASP 13 -7.126 -12.939 -11.921 91 HA ASP 13 HA ASP 13 -7.355 -11.092 -13.166 92 HB2 ASP 13 2HB ASP 13 -10.194 -12.086 -13.325 93 HB3 ASP 13 1HB ASP 13 -9.641 -10.655 -14.195 94 H GLN 14 H GLN 14 -8.170 -11.188 -10.149 95 HA GLN 14 HA GLN 14 -9.490 -8.670 -9.768 96 HB2 GLN 14 2HB GLN 14 -7.812 -10.350 -7.885 97 HB3 GLN 14 1HB GLN 14 -8.736 -8.929 -7.405 98 HG2 GLN 14 2HG GLN 14 -10.809 -10.037 -8.035 99 HG3 GLN 14 1HG GLN 14 -9.906 -11.448 -8.589 100 HE21 GLN 14 1HE2 GLN 14 -10.952 -9.632 -5.814 101 HE22 GLN 14 2HE2 GLN 14 -10.625 -10.860 -4.645 102 H PHE 15 H PHE 15 -8.317 -6.857 -8.534 103 HA PHE 15 HA PHE 15 -5.712 -6.421 -9.864 104 HD1 PHE 15 HD1 PHE 15 -5.723 -4.620 -12.235 105 HD2 PHE 15 HD2 PHE 15 -9.563 -5.580 -10.660 106 HE1 PHE 15 HE1 PHE 15 -6.528 -5.114 -14.505 107 HE2 PHE 15 HE2 PHE 15 -10.371 -6.074 -12.930 108 HZ PHE 15 HZ PHE 15 -8.852 -5.844 -14.856 109 HB2 PHE 15 2HB PHE 15 -7.910 -4.416 -9.308 110 HB3 PHE 15 1HB PHE 15 -6.326 -4.009 -9.965 111 H LYS 16 H LYS 16 -4.031 -5.648 -8.750 112 HA LYS 16 HA LYS 16 -4.378 -4.583 -6.042 113 HB2 LYS 16 2HB LYS 16 -2.592 -6.102 -5.173 114 HB3 LYS 16 1HB LYS 16 -4.067 -6.944 -5.627 115 HG2 LYS 16 2HG LYS 16 -3.043 -7.641 -7.731 116 HG3 LYS 16 1HG LYS 16 -1.568 -6.770 -7.309 117 HD2 LYS 16 2HD LYS 16 -1.270 -8.232 -5.356 118 HD3 LYS 16 1HD LYS 16 -2.746 -9.099 -5.783 119 HE2 LYS 16 2HE LYS 16 -0.804 -10.345 -6.533 120 HE3 LYS 16 1HE LYS 16 -1.716 -9.759 -7.925 121 HZ1 LYS 16 3HZ LYS 16 -0.131 -7.991 -8.212 122 HZ2 LYS 16 1HZ LYS 16 0.691 -9.468 -8.166 123 HZ3 LYS 16 2HZ LYS 16 0.709 -8.450 -6.816 124 H PHE 17 H PHE 17 -2.948 -2.957 -5.603 125 HA PHE 17 HA PHE 17 -0.849 -2.465 -7.620 126 HD1 PHE 17 HD2 PHE 17 -4.546 -1.076 -6.323 127 HD2 PHE 17 HD1 PHE 17 -0.997 0.754 -4.827 128 HE1 PHE 17 HE2 PHE 17 -5.809 -0.192 -4.407 129 HE2 PHE 17 HE1 PHE 17 -2.259 1.639 -2.911 130 HZ PHE 17 HZ PHE 17 -4.668 1.168 -2.699 131 HB2 PHE 17 2HB PHE 17 -1.112 -0.056 -7.110 132 HB3 PHE 17 1HB PHE 17 -2.582 -0.782 -7.743 133 H VAL 18 H VAL 18 1.131 -1.539 -6.970 134 HA VAL 18 HA VAL 18 1.778 -1.818 -4.101 135 HB VAL 18 HB VAL 18 4.044 -2.572 -4.747 136 HG11 VAL 18 1HG1 VAL 18 2.352 -4.232 -4.186 137 HG12 VAL 18 2HG1 VAL 18 3.432 -4.849 -5.436 138 HG13 VAL 18 3HG1 VAL 18 1.817 -4.281 -5.866 139 HG21 VAL 18 3HG2 VAL 18 4.506 -3.302 -7.046 140 HG22 VAL 18 1HG2 VAL 18 4.174 -1.572 -6.981 141 HG23 VAL 18 2HG2 VAL 18 2.937 -2.686 -7.563 142 H LEU 19 H LEU 19 2.664 -0.073 -3.179 143 HA LEU 19 HA LEU 19 3.474 2.198 -4.821 144 HG LEU 19 HG LEU 19 4.796 3.614 -2.153 145 HB2 LEU 19 2HB LEU 19 2.026 2.680 -2.955 146 HB3 LEU 19 1HB LEU 19 3.106 1.863 -1.840 147 HD11 LEU 19 1HD1 LEU 19 4.267 5.652 -3.414 148 HD12 LEU 19 2HD1 LEU 19 2.776 4.906 -3.987 149 HD13 LEU 19 3HD1 LEU 19 4.336 4.232 -4.455 150 HD21 LEU 19 3HD2 LEU 19 3.612 5.445 -1.046 151 HD22 LEU 19 1HD2 LEU 19 3.142 3.882 -0.379 152 HD23 LEU 19 2HD2 LEU 19 2.064 4.726 -1.494 153 H LYS 20 H LYS 20 5.506 2.314 -5.497 154 HA LYS 20 HA LYS 20 7.671 1.114 -3.918 155 HB2 LYS 20 2HB LYS 20 7.608 2.189 -6.747 156 HB3 LYS 20 1HB LYS 20 9.054 1.566 -5.964 157 HG2 LYS 20 2HG LYS 20 7.984 -0.626 -5.734 158 HG3 LYS 20 1HG LYS 20 6.541 0.002 -6.537 159 HD2 LYS 20 2HD LYS 20 7.802 0.419 -8.566 160 HD3 LYS 20 1HD LYS 20 9.302 -0.070 -7.773 161 HE2 LYS 20 2HE LYS 20 8.438 -2.342 -7.517 162 HE3 LYS 20 1HE LYS 20 6.913 -1.857 -8.259 163 HZ1 LYS 20 3HZ LYS 20 8.420 -2.989 -9.809 164 HZ2 LYS 20 1HZ LYS 20 9.555 -1.749 -9.614 165 HZ3 LYS 20 2HZ LYS 20 8.047 -1.419 -10.310 166 H ALA 21 H ALA 21 9.291 2.294 -2.989 167 HA ALA 21 HA ALA 21 9.029 5.159 -2.796 168 HB1 ALA 21 3HB ALA 21 11.219 3.341 -1.776 169 HB2 ALA 21 1HB ALA 21 9.777 3.828 -0.882 170 HB3 ALA 21 2HB ALA 21 10.984 5.032 -1.334 171 H GLY 22 H GLY 22 11.224 6.461 -3.044 172 HA2 GLY 22 2HA GLY 22 11.750 6.722 -5.760 173 HA3 GLY 22 1HA GLY 22 12.765 7.371 -4.486 174 H ASN 23 H ASN 23 13.343 4.600 -3.467 175 HA ASN 23 HA ASN 23 15.598 4.088 -5.202 176 HB2 ASN 23 2HB ASN 23 16.261 2.446 -3.481 177 HB3 ASN 23 1HB ASN 23 15.920 4.032 -2.798 178 HD21 ASN 23 1HD2 ASN 23 15.034 0.721 -2.874 179 HD22 ASN 23 2HD2 ASN 23 13.814 0.814 -1.657 180 H GLY 24 H GLY 24 12.461 3.104 -5.414 181 HA2 GLY 24 2HA GLY 24 11.663 1.731 -7.141 182 HA3 GLY 24 1HA GLY 24 13.229 0.950 -7.231 183 H GLU 25 H GLU 25 12.315 0.981 -4.009 184 HA GLU 25 HA GLU 25 11.486 -1.826 -4.181 185 HB2 GLU 25 2HB GLU 25 13.351 -1.281 -2.684 186 HB3 GLU 25 1HB GLU 25 12.325 -0.172 -1.787 187 HG2 GLU 25 2HG GLU 25 12.593 -2.263 -0.589 188 HG3 GLU 25 1HG GLU 25 10.914 -2.032 -1.073 189 H VAL 26 H VAL 26 9.599 -2.636 -3.320 190 HA VAL 26 HA VAL 26 7.365 -0.828 -3.149 191 HB VAL 26 HB VAL 26 7.463 -3.821 -2.687 192 HG11 VAL 26 1HG1 VAL 26 5.025 -3.735 -3.058 193 HG12 VAL 26 2HG1 VAL 26 5.107 -1.975 -3.126 194 HG13 VAL 26 3HG1 VAL 26 5.511 -2.818 -1.630 195 HG21 VAL 26 3HG2 VAL 26 8.167 -3.226 -4.947 196 HG22 VAL 26 1HG2 VAL 26 6.720 -2.239 -5.155 197 HG23 VAL 26 2HG2 VAL 26 6.576 -3.988 -4.978 198 H ILE 27 H ILE 27 6.860 0.251 -1.340 199 HA ILE 27 HA ILE 27 7.574 -0.817 1.285 200 HB ILE 27 HB ILE 27 6.577 1.376 2.123 201 HG12 ILE 27 2HG1 ILE 27 6.589 1.981 -0.848 202 HG13 ILE 27 1HG1 ILE 27 5.182 1.931 0.205 203 HG21 ILE 27 1HG2 ILE 27 8.923 1.523 0.230 204 HG22 ILE 27 2HG2 ILE 27 8.975 1.010 1.914 205 HG23 ILE 27 3HG2 ILE 27 8.553 2.673 1.516 206 HD11 ILE 27 3HD1 ILE 27 7.439 3.917 0.354 207 HD12 ILE 27 1HD1 ILE 27 6.045 3.863 1.435 208 HD13 ILE 27 2HD1 ILE 27 5.821 4.210 -0.279 209 H LEU 28 H LEU 28 4.638 0.055 -0.525 210 HA LEU 28 HA LEU 28 3.021 -1.409 1.476 211 HG LEU 28 HG LEU 28 1.562 1.906 2.346 212 HB2 LEU 28 2HB LEU 28 2.546 1.268 0.215 213 HB3 LEU 28 1HB LEU 28 1.158 0.266 0.582 214 HD11 LEU 28 1HD1 LEU 28 2.141 -0.918 3.230 215 HD12 LEU 28 2HD1 LEU 28 0.549 -0.205 2.972 216 HD13 LEU 28 3HD1 LEU 28 1.582 0.392 4.270 217 HD21 LEU 28 3HD2 LEU 28 4.218 0.534 2.757 218 HD22 LEU 28 1HD2 LEU 28 3.536 1.810 3.765 219 HD23 LEU 28 2HD2 LEU 28 3.985 2.152 2.095 220 H THR 29 H THR 29 1.829 -3.036 0.670 221 HA THR 29 HA THR 29 1.173 -3.072 -2.223 222 HB THR 29 HB THR 29 1.640 -5.443 -0.382 223 HG1 THR 29 HG1 THR 29 3.328 -3.952 -1.888 224 HG21 THR 29 3HG2 THR 29 -0.045 -5.951 -2.086 225 HG22 THR 29 1HG2 THR 29 1.458 -6.811 -2.416 226 HG23 THR 29 2HG2 THR 29 1.044 -5.375 -3.349 227 H SER 30 H SER 30 -0.980 -3.314 -2.771 228 HA SER 30 HA SER 30 -2.927 -3.296 -0.602 229 HG SER 30 HG SER 30 -4.201 -4.069 -3.927 230 HB2 SER 30 2HB SER 30 -4.563 -2.711 -2.245 231 HB3 SER 30 1HB SER 30 -3.107 -1.800 -2.644 232 H GLU 31 H GLU 31 -4.988 -4.613 -0.942 233 HA GLU 31 HA GLU 31 -4.292 -7.399 -1.449 234 HB2 GLU 31 2HB GLU 31 -6.689 -6.055 -0.192 235 HB3 GLU 31 1HB GLU 31 -6.672 -7.775 -0.563 236 HG2 GLU 31 2HG GLU 31 -4.566 -6.482 1.149 237 HG3 GLU 31 1HG GLU 31 -6.084 -7.083 1.810 238 H LEU 32 H LEU 32 -6.668 -8.493 -2.236 239 HA LEU 32 HA LEU 32 -6.636 -7.816 -5.059 240 HG LEU 32 HG LEU 32 -5.638 -10.372 -3.512 241 HB2 LEU 32 2HB LEU 32 -8.062 -10.024 -3.566 242 HB3 LEU 32 1HB LEU 32 -8.012 -9.859 -5.312 243 HD11 LEU 32 1HD1 LEU 32 -7.054 -12.162 -5.489 244 HD12 LEU 32 2HD1 LEU 32 -7.062 -12.329 -3.733 245 HD13 LEU 32 3HD1 LEU 32 -5.563 -12.559 -4.634 246 HD21 LEU 32 3HD2 LEU 32 -4.988 -9.004 -5.415 247 HD22 LEU 32 1HD2 LEU 32 -5.788 -10.126 -6.518 248 HD23 LEU 32 2HD2 LEU 32 -4.374 -10.645 -5.601 249 H TYR 33 H TYR 33 -7.876 -6.108 -5.628 250 HA TYR 33 HA TYR 33 -10.479 -5.616 -4.477 251 HD1 TYR 33 HD2 TYR 33 -7.045 -4.031 -5.279 252 HD2 TYR 33 HD1 TYR 33 -10.892 -2.456 -4.343 253 HE1 TYR 33 HE2 TYR 33 -6.024 -2.523 -3.632 254 HE2 TYR 33 HE1 TYR 33 -9.876 -0.945 -2.695 255 HH TYR 33 HH TYR 33 -6.523 -0.405 -2.521 256 HB2 TYR 33 2HB TYR 33 -9.003 -4.343 -6.791 257 HB3 TYR 33 1HB TYR 33 -10.606 -3.835 -6.267 258 H THR 34 H THR 34 -12.467 -5.535 -5.702 259 HA THR 34 HA THR 34 -12.974 -7.858 -7.239 260 HB THR 34 HB THR 34 -15.226 -6.849 -7.654 261 HG1 THR 34 HG1 THR 34 -15.529 -4.836 -6.282 262 HG21 THR 34 3HG2 THR 34 -14.791 -8.161 -5.621 263 HG22 THR 34 1HG2 THR 34 -15.946 -6.863 -5.313 264 HG23 THR 34 2HG2 THR 34 -14.271 -6.696 -4.786 265 H GLY 35 H GLY 35 -12.745 -4.426 -8.184 266 HA2 GLY 35 2HA GLY 35 -12.041 -5.281 -10.915 267 HA3 GLY 35 1HA GLY 35 -13.380 -4.162 -10.707 268 H LYS 36 H LYS 36 -11.328 -3.375 -12.286 269 HA LYS 36 HA LYS 36 -9.171 -2.106 -10.982 270 HB2 LYS 36 2HB LYS 36 -9.093 -2.652 -13.357 271 HB3 LYS 36 1HB LYS 36 -10.399 -1.519 -13.686 272 HG2 LYS 36 2HG LYS 36 -8.995 0.353 -13.075 273 HG3 LYS 36 1HG LYS 36 -7.705 -0.735 -12.567 274 HD2 LYS 36 2HD LYS 36 -8.771 -0.524 -15.390 275 HD3 LYS 36 1HD LYS 36 -7.315 0.281 -14.797 276 HE2 LYS 36 2HE LYS 36 -6.339 -1.912 -14.257 277 HE3 LYS 36 1HE LYS 36 -7.783 -2.704 -14.889 278 HZ1 LYS 36 3HZ LYS 36 -5.920 -0.996 -16.445 279 HZ2 LYS 36 1HZ LYS 36 -7.308 -1.755 -17.056 280 HZ3 LYS 36 2HZ LYS 36 -6.006 -2.685 -16.509 281 H SER 37 H SER 37 -12.447 -1.015 -11.637 282 HA SER 37 HA SER 37 -12.138 1.740 -11.283 283 HG SER 37 HG SER 37 -15.340 1.818 -9.822 284 HB2 SER 37 2HB SER 37 -14.257 0.734 -12.018 285 HB3 SER 37 1HB SER 37 -14.479 0.011 -10.425 286 H GLY 38 H GLY 38 -12.890 -0.720 -8.795 287 HA2 GLY 38 2HA GLY 38 -12.663 1.096 -6.600 288 HA3 GLY 38 1HA GLY 38 -12.695 -0.657 -6.499 289 H ALA 39 H ALA 39 -10.382 -1.046 -8.224 290 HA ALA 39 HA ALA 39 -8.294 -0.966 -6.340 291 HB1 ALA 39 3HB ALA 39 -8.362 -2.557 -8.194 292 HB2 ALA 39 1HB ALA 39 -6.839 -1.663 -8.174 293 HB3 ALA 39 2HB ALA 39 -8.098 -1.240 -9.338 294 H MET 40 H MET 40 -8.769 1.060 -9.257 295 HA MET 40 HA MET 40 -6.550 2.745 -8.770 296 HB2 MET 40 2HB MET 40 -9.063 3.296 -10.371 297 HB3 MET 40 1HB MET 40 -7.615 4.295 -10.398 298 HG2 MET 40 2HG MET 40 -6.342 2.297 -11.197 299 HG3 MET 40 1HG MET 40 -7.877 1.443 -11.333 300 HE1 MET 40 3HE MET 40 -6.677 5.121 -13.853 301 HE2 MET 40 1HE MET 40 -5.629 4.340 -12.669 302 HE3 MET 40 2HE MET 40 -7.049 5.239 -12.133 303 H ASN 41 H ASN 41 -10.019 3.155 -7.996 304 HA ASN 41 HA ASN 41 -9.897 5.587 -6.653 305 HB2 ASN 41 2HB ASN 41 -12.015 4.428 -7.085 306 HB3 ASN 41 1HB ASN 41 -11.571 3.152 -5.955 307 HD21 ASN 41 1HD2 ASN 41 -11.700 3.543 -3.755 308 HD22 ASN 41 2HD2 ASN 41 -12.487 4.935 -3.106 309 H GLY 42 H GLY 42 -9.075 2.344 -5.499 310 HA2 GLY 42 2HA GLY 42 -8.427 2.971 -2.840 311 HA3 GLY 42 1HA GLY 42 -7.734 1.650 -3.771 312 H ILE 43 H ILE 43 -6.453 3.160 -5.795 313 HA ILE 43 HA ILE 43 -3.999 3.838 -4.553 314 HB ILE 43 HB ILE 43 -4.972 4.661 -7.306 315 HG12 ILE 43 2HG1 ILE 43 -3.360 2.233 -6.474 316 HG13 ILE 43 1HG1 ILE 43 -5.048 2.214 -6.968 317 HG21 ILE 43 1HG2 ILE 43 -3.055 5.970 -6.614 318 HG22 ILE 43 2HG2 ILE 43 -2.569 4.817 -7.856 319 HG23 ILE 43 3HG2 ILE 43 -2.180 4.506 -6.164 320 HD11 ILE 43 3HD1 ILE 43 -2.725 3.024 -8.706 321 HD12 ILE 43 1HD1 ILE 43 -4.419 2.954 -9.195 322 HD13 ILE 43 2HD1 ILE 43 -3.566 1.476 -8.753 323 H GLU 44 H GLU 44 -6.541 5.860 -5.989 324 HA GLU 44 HA GLU 44 -5.453 8.373 -5.368 325 HB2 GLU 44 2HB GLU 44 -8.371 7.585 -5.633 326 HB3 GLU 44 1HB GLU 44 -7.737 9.226 -5.727 327 HG2 GLU 44 2HG GLU 44 -6.478 8.656 -7.727 328 HG3 GLU 44 1HG GLU 44 -7.037 6.989 -7.623 329 H SER 45 H SER 45 -7.576 6.227 -3.517 330 HA SER 45 HA SER 45 -8.011 7.894 -1.293 331 HG SER 45 HG SER 45 -9.639 6.040 0.336 332 HB2 SER 45 2HB SER 45 -9.255 5.777 -1.705 333 HB3 SER 45 1HB SER 45 -7.800 4.867 -1.295 334 H VAL 46 H VAL 46 -5.415 5.530 -1.948 335 HA VAL 46 HA VAL 46 -3.988 5.825 0.450 336 HB VAL 46 HB VAL 46 -2.907 5.227 -2.321 337 HG11 VAL 46 1HG1 VAL 46 -1.099 6.019 -0.899 338 HG12 VAL 46 2HG1 VAL 46 -0.946 4.280 -1.148 339 HG13 VAL 46 3HG1 VAL 46 -1.578 4.900 0.378 340 HG21 VAL 46 3HG2 VAL 46 -3.615 3.373 -0.040 341 HG22 VAL 46 1HG2 VAL 46 -2.933 2.892 -1.595 342 HG23 VAL 46 2HG2 VAL 46 -4.549 3.592 -1.519 343 H GLN 47 H GLN 47 -3.689 7.637 -2.610 344 HA GLN 47 HA GLN 47 -1.609 9.355 -1.882 345 HB2 GLN 47 2HB GLN 47 -3.972 9.888 -3.700 346 HB3 GLN 47 1HB GLN 47 -2.527 10.889 -3.618 347 HG2 GLN 47 2HG GLN 47 -1.161 9.063 -4.416 348 HG3 GLN 47 1HG GLN 47 -2.542 7.970 -4.376 349 HE21 GLN 47 1HE2 GLN 47 -0.808 8.738 -6.593 350 HE22 GLN 47 2HE2 GLN 47 -1.864 9.358 -7.812 351 H THR 48 H THR 48 -5.056 9.564 -1.172 352 HA THR 48 HA THR 48 -4.896 12.147 0.102 353 HB THR 48 HB THR 48 -7.058 10.026 0.135 354 HG1 THR 48 HG1 THR 48 -7.054 12.595 -1.103 355 HG21 THR 48 3HG2 THR 48 -7.165 12.832 1.257 356 HG22 THR 48 1HG2 THR 48 -7.215 11.337 2.194 357 HG23 THR 48 2HG2 THR 48 -8.539 11.737 1.099 358 H ASN 49 H ASN 49 -4.906 8.792 1.242 359 HA ASN 49 HA ASN 49 -5.204 9.556 4.014 360 HB2 ASN 49 2HB ASN 49 -4.788 6.852 2.725 361 HB3 ASN 49 1HB ASN 49 -5.134 7.108 4.436 362 HD21 ASN 49 1HD2 ASN 49 -6.658 5.728 2.321 363 HD22 ASN 49 2HD2 ASN 49 -8.213 6.463 2.309 364 H SER 50 H SER 50 -2.509 8.595 1.969 365 HA SER 50 HA SER 50 -0.698 7.698 3.870 366 HG SER 50 HG SER 50 -0.686 7.395 0.517 367 HB2 SER 50 2HB SER 50 -0.120 9.243 1.331 368 HB3 SER 50 1HB SER 50 1.107 8.425 2.296 369 HA PRO 51 HA PRO 51 0.787 12.221 4.746 370 HB2 PRO 51 2HB PRO 51 -0.821 14.277 4.017 371 HB3 PRO 51 1HB PRO 51 0.427 13.622 2.951 372 HG2 PRO 51 2HG PRO 51 -2.522 13.069 2.975 373 HG3 PRO 51 1HG PRO 51 -1.457 13.392 1.591 374 HD2 PRO 51 2HD PRO 51 -2.220 10.883 2.287 375 HD3 PRO 51 1HD PRO 51 -0.642 11.228 1.554 376 H ILE 52 H ILE 52 -2.290 10.882 5.179 377 HA ILE 52 HA ILE 52 -2.830 12.506 7.581 378 HB ILE 52 HB ILE 52 -4.681 10.606 6.117 379 HG12 ILE 52 2HG1 ILE 52 -4.663 13.638 6.247 380 HG13 ILE 52 1HG1 ILE 52 -4.208 12.670 4.850 381 HG21 ILE 52 1HG2 ILE 52 -5.233 12.442 8.458 382 HG22 ILE 52 2HG2 ILE 52 -5.182 10.680 8.504 383 HG23 ILE 52 3HG2 ILE 52 -6.442 11.500 7.584 384 HD11 ILE 52 3HD1 ILE 52 -6.495 11.823 4.701 385 HD12 ILE 52 1HD1 ILE 52 -6.430 13.581 4.594 386 HD13 ILE 52 2HD1 ILE 52 -6.946 12.809 6.093 387 H GLU 53 H GLU 53 -1.395 11.561 8.989 388 HA GLU 53 HA GLU 53 -0.696 8.905 9.252 389 HB2 GLU 53 2HB GLU 53 -0.842 11.032 11.395 390 HB3 GLU 53 1HB GLU 53 0.011 9.503 11.562 391 HG2 GLU 53 2HG GLU 53 1.535 10.099 9.796 392 HG3 GLU 53 1HG GLU 53 0.626 11.572 9.460 393 H ALA 54 H ALA 54 -3.574 10.477 10.443 394 HA ALA 54 HA ALA 54 -4.301 8.717 12.506 395 HB1 ALA 54 3HB ALA 54 -6.545 9.669 12.277 396 HB2 ALA 54 1HB ALA 54 -6.081 10.388 10.733 397 HB3 ALA 54 2HB ALA 54 -5.300 10.918 12.225 398 H ARG 55 H ARG 55 -4.115 7.979 9.221 399 HA ARG 55 HA ARG 55 -6.228 5.935 9.358 400 HE ARG 55 HE ARG 55 -8.590 9.053 6.815 401 HB2 ARG 55 2HB ARG 55 -4.508 6.813 7.024 402 HB3 ARG 55 1HB ARG 55 -5.809 5.633 6.941 403 HG2 ARG 55 2HG ARG 55 -6.107 8.554 7.635 404 HG3 ARG 55 1HG ARG 55 -6.541 7.792 6.104 405 HD2 ARG 55 2HD ARG 55 -8.218 6.431 7.232 406 HD3 ARG 55 1HD ARG 55 -7.758 7.122 8.789 407 HH11 ARG 55 1HH1 ARG 55 -9.591 7.010 9.405 408 HH12 ARG 55 2HH1 ARG 55 -11.055 7.894 9.674 409 HH21 ARG 55 1HH2 ARG 55 -10.442 10.197 7.199 410 HH22 ARG 55 2HH2 ARG 55 -11.516 9.695 8.458 411 H TYR 56 H TYR 56 -3.436 5.926 10.672 412 HA TYR 56 HA TYR 56 -1.962 3.810 9.450 413 HD1 TYR 56 HD1 TYR 56 -3.091 6.521 12.212 414 HD2 TYR 56 HD2 TYR 56 -0.685 3.313 13.638 415 HE1 TYR 56 HE1 TYR 56 -3.875 6.957 14.491 416 HE2 TYR 56 HE2 TYR 56 -1.471 3.741 15.930 417 HH TYR 56 HH TYR 56 -4.100 5.893 16.581 418 HB2 TYR 56 2HB TYR 56 -0.533 3.910 11.389 419 HB3 TYR 56 1HB TYR 56 -0.963 5.556 10.939 420 H ALA 57 H ALA 57 -1.675 1.671 10.138 421 HA ALA 57 HA ALA 57 -3.311 0.665 12.360 422 HB1 ALA 57 3HB ALA 57 -3.219 -0.648 9.641 423 HB2 ALA 57 1HB ALA 57 -4.596 0.216 10.324 424 HB3 ALA 57 2HB ALA 57 -4.033 -1.278 11.073 425 H LYS 58 H LYS 58 -1.859 -0.137 13.757 426 HA LYS 58 HA LYS 58 0.770 -0.968 12.829 427 HB2 LYS 58 2HB LYS 58 -0.272 -0.814 15.666 428 HB3 LYS 58 1HB LYS 58 1.410 -0.916 15.165 429 HG2 LYS 58 2HG LYS 58 -0.431 1.394 14.544 430 HG3 LYS 58 1HG LYS 58 0.729 1.356 15.871 431 HD2 LYS 58 2HD LYS 58 1.525 0.990 12.980 432 HD3 LYS 58 1HD LYS 58 1.475 2.566 13.769 433 HE2 LYS 58 2HE LYS 58 3.120 0.221 14.729 434 HE3 LYS 58 1HE LYS 58 3.740 1.539 13.738 435 HZ1 LYS 58 3HZ LYS 58 4.226 1.895 16.068 436 HZ2 LYS 58 1HZ LYS 58 2.581 1.819 16.460 437 HZ3 LYS 58 2HZ LYS 58 3.169 3.085 15.504 438 H GLU 59 H GLU 59 1.105 -3.023 12.231 439 HA GLU 59 HA GLU 59 -0.189 -5.201 13.761 440 HB2 GLU 59 2HB GLU 59 0.366 -5.068 10.785 441 HB3 GLU 59 1HB GLU 59 -0.180 -6.511 11.624 442 HG2 GLU 59 2HG GLU 59 -1.731 -3.928 11.551 443 HG3 GLU 59 1HG GLU 59 -1.955 -5.246 10.403 444 H VAL 60 H VAL 60 1.137 -6.867 14.439 445 HA VAL 60 HA VAL 60 3.869 -6.996 13.321 446 HB VAL 60 HB VAL 60 3.159 -7.281 16.255 447 HG11 VAL 60 1HG1 VAL 60 5.831 -7.563 14.862 448 HG12 VAL 60 2HG1 VAL 60 4.911 -8.857 15.631 449 HG13 VAL 60 3HG1 VAL 60 5.584 -7.554 16.610 450 HG21 VAL 60 3HG2 VAL 60 4.777 -5.178 14.804 451 HG22 VAL 60 1HG2 VAL 60 4.604 -5.301 16.555 452 HG23 VAL 60 2HG2 VAL 60 3.197 -4.951 15.553 453 H ALA 61 H ALA 61 4.382 -8.942 12.551 454 HA ALA 61 HA ALA 61 2.651 -11.191 12.786 455 HB1 ALA 61 3HB ALA 61 4.050 -10.821 10.807 456 HB2 ALA 61 1HB ALA 61 4.368 -12.400 11.528 457 HB3 ALA 61 2HB ALA 61 5.500 -11.071 11.781 458 H LYS 62 H LYS 62 2.882 -13.099 13.978 459 HA LYS 62 HA LYS 62 3.981 -12.797 16.561 460 HB2 LYS 62 2HB LYS 62 2.881 -15.216 15.133 461 HB3 LYS 62 1HB LYS 62 3.387 -15.246 16.818 462 HG2 LYS 62 2HG LYS 62 1.243 -13.451 15.675 463 HG3 LYS 62 1HG LYS 62 0.961 -14.939 16.582 464 HD2 LYS 62 2HD LYS 62 2.051 -13.970 18.544 465 HD3 LYS 62 1HD LYS 62 2.408 -12.499 17.640 466 HE2 LYS 62 2HE LYS 62 -0.367 -13.536 18.229 467 HE3 LYS 62 1HE LYS 62 0.453 -12.271 19.141 468 HZ1 LYS 62 3HZ LYS 62 0.535 -10.929 17.127 469 HZ2 LYS 62 1HZ LYS 62 -1.057 -11.340 17.517 470 HZ3 LYS 62 2HZ LYS 62 -0.269 -12.142 16.261 471 H ASN 63 H ASN 63 5.639 -13.485 13.764 472 HA ASN 63 HA ASN 63 7.813 -14.881 15.139 473 HB2 ASN 63 2HB ASN 63 7.473 -13.945 12.280 474 HB3 ASN 63 1HB ASN 63 8.959 -14.669 12.888 475 HD21 ASN 63 1HD2 ASN 63 5.701 -15.250 11.903 476 HD22 ASN 63 2HD2 ASN 63 5.778 -16.970 11.974 477 H ASP 64 H ASP 64 6.842 -12.072 15.735 478 HA ASP 64 HA ASP 64 7.680 -10.086 16.411 479 HB2 ASP 64 2HB ASP 64 10.342 -11.504 16.138 480 HB3 ASP 64 1HB ASP 64 10.109 -9.943 16.924 481 H LYS 65 H LYS 65 7.359 -10.702 13.509 482 HA LYS 65 HA LYS 65 9.248 -8.811 12.296 483 HB2 LYS 65 2HB LYS 65 7.161 -10.562 10.964 484 HB3 LYS 65 1HB LYS 65 8.386 -9.599 10.145 485 HG2 LYS 65 2HG LYS 65 10.142 -10.976 11.216 486 HG3 LYS 65 1HG LYS 65 8.879 -11.968 11.946 487 HD2 LYS 65 2HD LYS 65 9.672 -13.095 9.980 488 HD3 LYS 65 1HD LYS 65 8.049 -12.493 9.649 489 HE2 LYS 65 2HE LYS 65 9.001 -10.574 8.454 490 HE3 LYS 65 1HE LYS 65 10.627 -11.167 8.792 491 HZ1 LYS 65 3HZ LYS 65 8.564 -12.497 7.126 492 HZ2 LYS 65 1HZ LYS 65 10.050 -13.193 7.533 493 HZ3 LYS 65 2HZ LYS 65 10.006 -11.795 6.590 494 HA PRO 66 HA PRO 66 5.784 -5.958 12.970 495 HB2 PRO 66 2HB PRO 66 7.199 -3.677 12.953 496 HB3 PRO 66 1HB PRO 66 7.259 -4.798 14.317 497 HG2 PRO 66 2HG PRO 66 9.210 -4.454 12.068 498 HG3 PRO 66 1HG PRO 66 9.528 -4.658 13.801 499 HD2 PRO 66 2HD PRO 66 9.681 -6.693 11.966 500 HD3 PRO 66 1HD PRO 66 9.330 -6.943 13.688 501 H TYR 67 H TYR 67 4.482 -4.829 11.652 502 HA TYR 67 HA TYR 67 5.427 -3.490 9.283 503 HD1 TYR 67 HD2 TYR 67 4.592 -7.290 10.312 504 HD2 TYR 67 HD1 TYR 67 1.669 -5.377 7.872 505 HE1 TYR 67 HE2 TYR 67 2.930 -8.964 10.996 506 HE2 TYR 67 HE1 TYR 67 0.002 -7.052 8.554 507 HH TYR 67 HH TYR 67 -0.120 -9.278 9.436 508 HB2 TYR 67 2HB TYR 67 3.915 -4.693 7.721 509 HB3 TYR 67 1HB TYR 67 5.195 -5.717 8.357 510 H PHE 68 H PHE 68 3.183 -2.799 8.001 511 HA PHE 68 HA PHE 68 1.047 -2.194 9.873 512 HD1 PHE 68 HD2 PHE 68 4.721 -0.588 9.028 513 HD2 PHE 68 HD1 PHE 68 1.283 1.340 7.405 514 HE1 PHE 68 HE2 PHE 68 6.127 0.473 7.311 515 HE2 PHE 68 HE1 PHE 68 2.689 2.401 5.690 516 HZ PHE 68 HZ PHE 68 5.112 1.970 5.642 517 HB2 PHE 68 2HB PHE 68 1.152 0.248 9.514 518 HB3 PHE 68 1HB PHE 68 2.594 -0.355 10.321 519 H ASN 69 H ASN 69 -0.869 -1.327 8.833 520 HA ASN 69 HA ASN 69 -0.821 -1.548 5.891 521 HB2 ASN 69 2HB ASN 69 -2.996 -2.643 5.907 522 HB3 ASN 69 1HB ASN 69 -1.849 -3.574 6.864 523 HD21 ASN 69 1HD2 ASN 69 -2.113 -3.665 9.101 524 HD22 ASN 69 2HD2 ASN 69 -3.588 -3.195 9.862 525 H LEU 70 H LEU 70 -2.487 -0.353 4.784 526 HA LEU 70 HA LEU 70 -3.350 2.036 6.287 527 HG LEU 70 HG LEU 70 -4.355 3.634 3.817 528 HB2 LEU 70 2HB LEU 70 -1.655 2.447 4.514 529 HB3 LEU 70 1HB LEU 70 -2.763 1.790 3.325 530 HD11 LEU 70 1HD1 LEU 70 -3.678 4.094 6.122 531 HD12 LEU 70 2HD1 LEU 70 -3.629 5.553 5.132 532 HD13 LEU 70 3HD1 LEU 70 -2.131 4.718 5.548 533 HD21 LEU 70 3HD2 LEU 70 -2.777 3.837 1.960 534 HD22 LEU 70 1HD2 LEU 70 -1.579 4.547 3.043 535 HD23 LEU 70 2HD2 LEU 70 -3.082 5.404 2.706 536 H LYS 71 H LYS 71 -5.465 2.434 6.416 537 HA LYS 71 HA LYS 71 -7.295 0.902 4.679 538 HB2 LYS 71 2HB LYS 71 -7.338 1.441 7.615 539 HB3 LYS 71 1HB LYS 71 -8.884 1.373 6.779 540 HG2 LYS 71 2HG LYS 71 -8.481 -0.868 6.049 541 HG3 LYS 71 1HG LYS 71 -6.814 -0.814 6.621 542 HD2 LYS 71 2HD LYS 71 -9.100 -0.410 8.532 543 HD3 LYS 71 1HD LYS 71 -8.613 -2.035 8.049 544 HE2 LYS 71 2HE LYS 71 -6.329 -1.571 8.832 545 HE3 LYS 71 1HE LYS 71 -6.835 0.041 9.339 546 HZ1 LYS 71 3HZ LYS 71 -8.313 -0.921 10.943 547 HZ2 LYS 71 1HZ LYS 71 -6.775 -1.593 11.167 548 HZ3 LYS 71 2HZ LYS 71 -7.986 -2.486 10.395 549 H ALA 72 H ALA 72 -8.743 1.963 3.522 550 HA ALA 72 HA ALA 72 -8.772 4.793 3.322 551 HB1 ALA 72 3HB ALA 72 -9.267 3.310 1.437 552 HB2 ALA 72 1HB ALA 72 -10.570 4.466 1.708 553 HB3 ALA 72 2HB ALA 72 -10.752 2.791 2.232 554 H ALA 73 H ALA 73 -11.105 5.895 3.228 555 HA ALA 73 HA ALA 73 -11.966 6.390 5.807 556 HB1 ALA 73 3HB ALA 73 -13.575 6.678 3.267 557 HB2 ALA 73 1HB ALA 73 -12.448 7.863 3.929 558 HB3 ALA 73 2HB ALA 73 -13.928 7.468 4.805 559 H ASN 74 H ASN 74 -13.408 4.094 3.480 560 HA ASN 74 HA ASN 74 -15.475 3.241 5.280 561 HB2 ASN 74 2HB ASN 74 -15.565 3.118 2.750 562 HB3 ASN 74 1HB ASN 74 -14.455 1.756 2.847 563 HD21 ASN 74 1HD2 ASN 74 -15.897 0.278 2.002 564 HD22 ASN 74 2HD2 ASN 74 -17.299 -0.257 2.857 565 H HIS 75 H HIS 75 -12.237 2.747 5.402 566 HA HIS 75 HA HIS 75 -10.911 1.506 6.759 567 HD1 HIS 75 HD1 HIS 75 -10.820 1.812 9.809 568 HD2 HIS 75 HD2 HIS 75 -14.569 2.838 8.338 569 HE1 HIS 75 HE1 HIS 75 -11.432 3.952 10.966 570 HE2 HIS 75 HE2 HIS 75 -13.641 4.617 9.966 571 HB2 HIS 75 2HB HIS 75 -13.527 0.309 7.705 572 HB3 HIS 75 1HB HIS 75 -11.957 -0.056 8.420 573 H GLN 76 H GLN 76 -11.473 0.766 4.079 574 HA GLN 76 HA GLN 76 -11.226 -2.147 4.036 575 HB2 GLN 76 2HB GLN 76 -11.352 -1.925 1.614 576 HB3 GLN 76 1HB GLN 76 -12.658 -1.018 2.366 577 HG2 GLN 76 2HG GLN 76 -11.054 1.009 2.152 578 HG3 GLN 76 1HG GLN 76 -10.200 0.000 0.985 579 HE21 GLN 76 1HE2 GLN 76 -13.071 1.796 1.653 580 HE22 GLN 76 2HE2 GLN 76 -13.739 1.727 0.060 581 H ILE 77 H ILE 77 -9.348 -3.229 3.381 582 HA ILE 77 HA ILE 77 -6.874 -1.948 3.972 583 HB ILE 77 HB ILE 77 -7.422 -4.664 2.749 584 HG12 ILE 77 2HG1 ILE 77 -8.269 -4.313 5.067 585 HG13 ILE 77 1HG1 ILE 77 -7.001 -5.532 4.985 586 HG21 ILE 77 1HG2 ILE 77 -4.826 -3.538 3.813 587 HG22 ILE 77 2HG2 ILE 77 -5.184 -3.946 2.135 588 HG23 ILE 77 3HG2 ILE 77 -5.094 -5.219 3.351 589 HD11 ILE 77 3HD1 ILE 77 -6.738 -4.094 6.921 590 HD12 ILE 77 1HD1 ILE 77 -6.654 -2.677 5.875 591 HD13 ILE 77 2HD1 ILE 77 -5.383 -3.901 5.808 592 H ILE 78 H ILE 78 -6.427 -0.279 2.578 593 HA ILE 78 HA ILE 78 -6.322 -0.824 -0.300 594 HB ILE 78 HB ILE 78 -5.830 1.590 -0.557 595 HG12 ILE 78 2HG1 ILE 78 -6.200 1.671 2.453 596 HG13 ILE 78 1HG1 ILE 78 -4.700 1.982 1.586 597 HG21 ILE 78 1HG2 ILE 78 -8.065 2.397 0.088 598 HG22 ILE 78 2HG2 ILE 78 -8.290 0.954 1.078 599 HG23 ILE 78 3HG2 ILE 78 -8.127 0.806 -0.672 600 HD11 ILE 78 3HD1 ILE 78 -7.208 3.640 1.417 601 HD12 ILE 78 1HD1 ILE 78 -5.699 3.952 0.556 602 HD13 ILE 78 2HD1 ILE 78 -5.745 4.044 2.315 603 H GLY 79 H GLY 79 -4.237 -0.779 2.398 604 HA2 GLY 79 2HA GLY 79 -1.993 -1.390 0.630 605 HA3 GLY 79 1HA GLY 79 -1.784 0.011 1.671 606 H THR 80 H THR 80 -0.366 -2.597 1.586 607 HA THR 80 HA THR 80 -0.306 -2.959 4.483 608 HB THR 80 HB THR 80 -0.624 -5.314 2.587 609 HG1 THR 80 HG1 THR 80 -2.422 -3.873 3.951 610 HG21 THR 80 3HG2 THR 80 0.995 -5.852 4.325 611 HG22 THR 80 1HG2 THR 80 -0.517 -6.706 4.629 612 HG23 THR 80 2HG2 THR 80 -0.109 -5.271 5.572 613 H SER 81 H SER 81 1.778 -2.800 5.095 614 HA SER 81 HA SER 81 3.845 -2.685 3.105 615 HG SER 81 HG SER 81 4.903 -3.384 6.525 616 HB2 SER 81 2HB SER 81 5.308 -1.980 4.877 617 HB3 SER 81 1HB SER 81 3.749 -1.202 5.142 618 H GLN 82 H GLN 82 5.829 -3.891 3.147 619 HA GLN 82 HA GLN 82 5.581 -6.681 3.491 620 HB2 GLN 82 2HB GLN 82 7.993 -6.753 3.029 621 HB3 GLN 82 1HB GLN 82 7.172 -5.664 1.916 622 HG2 GLN 82 2HG GLN 82 7.892 -3.753 3.312 623 HG3 GLN 82 1HG GLN 82 8.791 -4.870 4.333 624 HE21 GLN 82 1HE2 GLN 82 9.609 -6.505 2.016 625 HE22 GLN 82 2HE2 GLN 82 10.837 -5.589 1.220 626 H MET 83 H MET 83 6.195 -8.047 5.155 627 HA MET 83 HA MET 83 6.398 -6.964 7.782 628 HB2 MET 83 2HB MET 83 6.967 -9.798 6.871 629 HB3 MET 83 1HB MET 83 6.669 -9.278 8.526 630 HG2 MET 83 2HG MET 83 4.686 -10.302 7.674 631 HG3 MET 83 1HG MET 83 4.388 -8.574 7.847 632 HE1 MET 83 3HE MET 83 2.224 -9.448 4.710 633 HE2 MET 83 1HE MET 83 2.244 -8.689 6.304 634 HE3 MET 83 2HE MET 83 2.463 -10.433 6.153 635 H TYR 84 H TYR 84 8.175 -5.776 8.237 636 HA TYR 84 HA TYR 84 10.815 -6.446 7.328 637 HD1 TYR 84 HD2 TYR 84 12.180 -4.208 6.488 638 HD2 TYR 84 HD1 TYR 84 8.348 -3.112 7.992 639 HE1 TYR 84 HE2 TYR 84 11.874 -2.686 4.585 640 HE2 TYR 84 HE1 TYR 84 8.035 -1.585 6.088 641 HH TYR 84 HH TYR 84 9.875 -1.691 3.328 642 HB2 TYR 84 2HB TYR 84 9.808 -4.416 9.336 643 HB3 TYR 84 1HB TYR 84 11.505 -4.585 8.906 644 H SER 85 H SER 85 12.662 -6.637 8.936 645 HA SER 85 HA SER 85 11.996 -8.670 10.933 646 HG SER 85 HG SER 85 15.333 -8.919 11.624 647 HB2 SER 85 2HB SER 85 13.855 -9.079 9.339 648 HB3 SER 85 1HB SER 85 14.723 -7.705 10.021 649 H SER 86 H SER 86 13.766 -5.564 10.804 650 HA SER 86 HA SER 86 13.741 -5.424 13.735 651 HG SER 86 HG SER 86 16.902 -4.719 13.015 652 HB2 SER 86 2HB SER 86 15.036 -3.552 11.728 653 HB3 SER 86 1HB SER 86 15.236 -3.491 13.480 654 H THR 87 H THR 87 12.736 -3.781 14.908 655 HA THR 87 HA THR 87 10.262 -2.846 13.923 656 HB THR 87 HB THR 87 10.029 -1.595 15.990 657 HG1 THR 87 HG1 THR 87 11.760 -0.703 16.789 658 HG21 THR 87 3HG2 THR 87 11.467 -4.215 16.470 659 HG22 THR 87 1HG2 THR 87 9.740 -4.016 16.165 660 HG23 THR 87 2HG2 THR 87 10.456 -3.373 17.643 661 H ALA 88 H ALA 88 13.338 -1.151 14.430 662 HA ALA 88 HA ALA 88 12.649 1.438 13.779 663 HB1 ALA 88 3HB ALA 88 14.866 0.772 14.594 664 HB2 ALA 88 1HB ALA 88 14.981 1.772 13.145 665 HB3 ALA 88 2HB ALA 88 15.215 0.027 13.033 666 H ALA 89 H ALA 89 13.592 -1.156 11.520 667 HA ALA 89 HA ALA 89 13.480 0.288 9.132 668 HB1 ALA 89 3HB ALA 89 12.819 -2.630 9.558 669 HB2 ALA 89 1HB ALA 89 14.433 -1.962 9.314 670 HB3 ALA 89 2HB ALA 89 13.237 -1.875 8.018 671 H ARG 90 H ARG 90 10.902 -1.210 10.998 672 HA ARG 90 HA ARG 90 8.854 -0.954 9.035 673 HE ARG 90 HE ARG 90 7.157 0.193 13.193 674 HB2 ARG 90 2HB ARG 90 8.813 -2.516 10.989 675 HB3 ARG 90 1HB ARG 90 8.575 -1.136 12.048 676 HG2 ARG 90 2HG ARG 90 6.655 -1.658 9.807 677 HG3 ARG 90 1HG ARG 90 6.542 -2.569 11.311 678 HD2 ARG 90 2HD ARG 90 6.385 0.432 11.008 679 HD3 ARG 90 1HD ARG 90 5.046 -0.656 11.364 680 HH11 ARG 90 1HH1 ARG 90 4.403 -1.835 12.657 681 HH12 ARG 90 2HH1 ARG 90 4.115 -2.045 14.350 682 HH21 ARG 90 1HH2 ARG 90 6.752 -0.103 15.346 683 HH22 ARG 90 2HH2 ARG 90 5.421 -1.095 15.838 684 H ASP 91 H ASP 91 9.820 1.073 11.812 685 HA ASP 91 HA ASP 91 7.807 3.035 11.471 686 HB2 ASP 91 2HB ASP 91 9.222 2.705 13.533 687 HB3 ASP 91 1HB ASP 91 10.559 3.456 12.666 688 H ASN 92 H ASN 92 11.144 2.805 10.246 689 HA ASN 92 HA ASN 92 11.262 5.146 8.745 690 HB2 ASN 92 2HB ASN 92 12.441 2.416 8.190 691 HB3 ASN 92 1HB ASN 92 12.808 3.838 7.220 692 HD21 ASN 92 1HD2 ASN 92 14.971 3.725 7.774 693 HD22 ASN 92 2HD2 ASN 92 15.545 4.197 9.334 694 H GLY 93 H GLY 93 9.815 2.009 7.896 695 HA2 GLY 93 2HA GLY 93 8.964 2.610 5.294 696 HA3 GLY 93 1HA GLY 93 8.165 1.486 6.382 697 H ILE 94 H ILE 94 7.416 3.304 8.410 698 HA ILE 94 HA ILE 94 4.970 4.292 7.457 699 HB ILE 94 HB ILE 94 6.471 5.132 9.951 700 HG12 ILE 94 2HG1 ILE 94 4.322 3.029 9.536 701 HG13 ILE 94 1HG1 ILE 94 6.026 2.707 9.838 702 HG21 ILE 94 1HG2 ILE 94 4.752 6.759 9.373 703 HG22 ILE 94 2HG2 ILE 94 4.274 5.843 10.802 704 HG23 ILE 94 3HG2 ILE 94 3.554 5.471 9.235 705 HD11 ILE 94 3HD1 ILE 94 5.831 3.707 12.049 706 HD12 ILE 94 1HD1 ILE 94 4.682 2.387 11.833 707 HD13 ILE 94 2HD1 ILE 94 4.129 4.058 11.745 708 H LYS 95 H LYS 95 7.895 6.191 8.372 709 HA LYS 95 HA LYS 95 6.907 8.660 7.424 710 HB2 LYS 95 2HB LYS 95 9.251 9.433 7.403 711 HB3 LYS 95 1HB LYS 95 8.860 8.579 8.890 712 HG2 LYS 95 2HG LYS 95 10.041 6.629 8.159 713 HG3 LYS 95 1HG LYS 95 10.272 7.310 6.550 714 HD2 LYS 95 2HD LYS 95 11.412 8.519 9.072 715 HD3 LYS 95 1HD LYS 95 12.291 7.405 8.026 716 HE2 LYS 95 2HE LYS 95 11.946 9.002 6.141 717 HE3 LYS 95 1HE LYS 95 11.237 10.137 7.291 718 HZ1 LYS 95 3HZ LYS 95 13.313 10.174 8.503 719 HZ2 LYS 95 1HZ LYS 95 13.588 10.586 6.884 720 HZ3 LYS 95 2HZ LYS 95 13.995 9.043 7.445 721 H SER 96 H SER 96 8.644 6.059 5.788 722 HA SER 96 HA SER 96 9.247 7.368 3.387 723 HG SER 96 HG SER 96 10.585 5.571 4.852 724 HB2 SER 96 2HB SER 96 8.672 4.436 3.898 725 HB3 SER 96 1HB SER 96 9.303 5.063 2.375 726 H VAL 97 H VAL 97 6.296 5.550 4.288 727 HA VAL 97 HA VAL 97 5.154 5.865 1.683 728 HB VAL 97 HB VAL 97 4.506 3.962 3.016 729 HG11 VAL 97 1HG1 VAL 97 3.201 5.917 4.912 730 HG12 VAL 97 2HG1 VAL 97 4.636 4.940 5.239 731 HG13 VAL 97 3HG1 VAL 97 3.076 4.156 4.982 732 HG21 VAL 97 3HG2 VAL 97 2.073 4.069 2.718 733 HG22 VAL 97 1HG2 VAL 97 2.930 4.757 1.337 734 HG23 VAL 97 2HG2 VAL 97 2.173 5.820 2.524 735 H MET 98 H MET 98 4.664 7.622 4.771 736 HA MET 98 HA MET 98 2.534 9.222 3.801 737 HB2 MET 98 2HB MET 98 2.844 10.629 5.722 738 HB3 MET 98 1HB MET 98 3.092 8.963 6.217 739 HG2 MET 98 2HG MET 98 5.472 9.276 6.266 740 HG3 MET 98 1HG MET 98 5.311 10.903 5.601 741 HE1 MET 98 3HE MET 98 6.431 11.734 9.236 742 HE2 MET 98 1HE MET 98 6.722 12.002 7.517 743 HE3 MET 98 2HE MET 98 7.009 10.411 8.225 744 H GLU 99 H GLU 99 5.995 9.491 3.435 745 HA GLU 99 HA GLU 99 5.836 12.166 2.294 746 HB2 GLU 99 2HB GLU 99 8.162 10.256 2.602 747 HB3 GLU 99 1HB GLU 99 8.293 11.877 1.931 748 HG2 GLU 99 2HG GLU 99 7.474 12.793 4.082 749 HG3 GLU 99 1HG GLU 99 7.460 11.157 4.740 750 H ASN 100 H ASN 100 6.912 8.965 1.090 751 HA ASN 100 HA ASN 100 7.124 9.836 -1.617 752 HB2 ASN 100 2HB ASN 100 7.107 7.087 -0.363 753 HB3 ASN 100 1HB ASN 100 7.309 7.344 -2.093 754 HD21 ASN 100 1HD2 ASN 100 8.769 7.778 1.046 755 HD22 ASN 100 2HD2 ASN 100 10.355 8.118 0.467 756 H GLY 101 H GLY 101 4.487 8.510 0.243 757 HA2 GLY 101 2HA GLY 101 2.925 7.521 -1.933 758 HA3 GLY 101 1HA GLY 101 2.357 7.831 -0.304 759 H LYS 102 H LYS 102 3.647 10.693 -1.171 760 HA LYS 102 HA LYS 102 1.121 11.926 -1.731 761 HB2 LYS 102 2HB LYS 102 3.886 13.136 -2.005 762 HB3 LYS 102 1HB LYS 102 2.366 14.008 -1.860 763 HG2 LYS 102 2HG LYS 102 2.096 13.107 0.426 764 HG3 LYS 102 1HG LYS 102 3.664 12.308 0.271 765 HD2 LYS 102 2HD LYS 102 4.669 14.576 -0.169 766 HD3 LYS 102 1HD LYS 102 3.102 15.279 0.236 767 HE2 LYS 102 2HE LYS 102 4.892 13.659 2.050 768 HE3 LYS 102 1HE LYS 102 4.540 15.381 2.170 769 HZ1 LYS 102 3HZ LYS 102 2.697 13.117 2.662 770 HZ2 LYS 102 1HZ LYS 102 2.165 14.717 2.498 771 HZ3 LYS 102 2HZ LYS 102 3.209 14.299 3.758 772 H THR 103 H THR 103 3.287 10.277 -3.676 773 HA THR 103 HA THR 103 3.407 11.852 -6.015 774 HB THR 103 HB THR 103 5.006 10.078 -5.677 775 HG1 THR 103 HG1 THR 103 5.069 9.484 -7.756 776 HG21 THR 103 3HG2 THR 103 3.571 8.479 -4.483 777 HG22 THR 103 1HG2 THR 103 4.398 7.713 -5.842 778 HG23 THR 103 2HG2 THR 103 2.696 8.151 -5.981 779 H THR 104 H THR 104 2.215 11.952 -7.845 780 HA THR 104 HA THR 104 -0.428 10.656 -7.852 781 HB THR 104 HB THR 104 -1.024 12.250 -9.621 782 HG1 THR 104 HG1 THR 104 0.588 13.941 -10.076 783 HG21 THR 104 3HG2 THR 104 -0.901 14.323 -8.310 784 HG22 THR 104 1HG2 THR 104 0.322 13.599 -7.266 785 HG23 THR 104 2HG2 THR 104 -1.319 12.950 -7.287 786 H THR 105 H THR 105 2.478 9.769 -8.835 787 HA THR 105 HA THR 105 2.009 9.231 -11.647 788 HB THR 105 HB THR 105 4.343 8.285 -9.964 789 HG1 THR 105 HG1 THR 105 4.497 10.450 -9.753 790 HG21 THR 105 3HG2 THR 105 4.076 8.830 -12.929 791 HG22 THR 105 1HG2 THR 105 4.113 7.235 -12.176 792 HG23 THR 105 2HG2 THR 105 5.531 8.277 -12.099 793 H ILE 106 H ILE 106 0.989 7.457 -12.379 794 HA ILE 106 HA ILE 106 1.054 4.984 -10.752 795 HB ILE 106 HB ILE 106 -1.319 5.995 -12.344 796 HG12 ILE 106 2HG1 ILE 106 -0.946 5.871 -9.333 797 HG13 ILE 106 1HG1 ILE 106 -0.868 7.343 -10.298 798 HG21 ILE 106 1HG2 ILE 106 -2.548 4.152 -11.296 799 HG22 ILE 106 2HG2 ILE 106 -1.075 3.622 -10.481 800 HG23 ILE 106 3HG2 ILE 106 -1.187 3.547 -12.241 801 HD11 ILE 106 3HD1 ILE 106 -3.011 7.150 -9.204 802 HD12 ILE 106 1HD1 ILE 106 -3.278 5.572 -9.946 803 HD13 ILE 106 2HD1 ILE 106 -3.208 7.020 -10.951 804 H LYS 107 H LYS 107 1.310 3.067 -11.823 805 HA LYS 107 HA LYS 107 1.557 3.089 -14.769 806 HB2 LYS 107 2HB LYS 107 3.050 1.560 -12.646 807 HB3 LYS 107 1HB LYS 107 2.924 0.910 -14.271 808 HG2 LYS 107 2HG LYS 107 4.027 2.911 -15.158 809 HG3 LYS 107 1HG LYS 107 4.163 3.560 -13.520 810 HD2 LYS 107 2HD LYS 107 5.649 1.827 -12.855 811 HD3 LYS 107 1HD LYS 107 5.303 0.875 -14.298 812 HE2 LYS 107 2HE LYS 107 7.497 1.913 -14.448 813 HE3 LYS 107 1HE LYS 107 6.417 2.561 -15.680 814 HZ1 LYS 107 3HZ LYS 107 7.030 3.900 -13.102 815 HZ2 LYS 107 1HZ LYS 107 6.107 4.530 -14.370 816 HZ3 LYS 107 2HZ LYS 107 7.762 4.267 -14.579 817 H ASP 108 H ASP 108 0.456 1.525 -15.946 818 HA ASP 108 HA ASP 108 -1.259 -0.326 -14.407 819 HB2 ASP 108 2HB ASP 108 -2.468 1.325 -15.820 820 HB3 ASP 108 1HB ASP 108 -1.652 0.684 -17.242 821 H LEU 109 H LEU 109 -0.253 -2.246 -14.275 822 HA LEU 109 HA LEU 109 1.189 -3.325 -16.607 823 HG LEU 109 HG LEU 109 2.202 -2.111 -13.810 824 HB2 LEU 109 2HB LEU 109 1.136 -4.352 -13.762 825 HB3 LEU 109 1HB LEU 109 2.212 -4.876 -15.045 826 HD11 LEU 109 1HD1 LEU 109 4.120 -4.410 -13.424 827 HD12 LEU 109 2HD1 LEU 109 2.984 -3.784 -12.228 828 HD13 LEU 109 3HD1 LEU 109 4.320 -2.778 -12.784 829 HD21 LEU 109 3HD2 LEU 109 2.938 -2.099 -16.143 830 HD22 LEU 109 1HD2 LEU 109 4.103 -3.377 -15.789 831 HD23 LEU 109 2HD2 LEU 109 4.287 -1.785 -15.050 832 H THR 110 H THR 110 -1.814 -3.273 -16.192 833 HA THR 110 HA THR 110 -2.414 -6.158 -15.978 834 HB THR 110 HB THR 110 -4.697 -5.577 -15.494 835 HG1 THR 110 HG1 THR 110 -3.976 -2.844 -15.960 836 HG21 THR 110 3HG2 THR 110 -3.160 -5.390 -13.600 837 HG22 THR 110 1HG2 THR 110 -4.457 -4.202 -13.472 838 HG23 THR 110 2HG2 THR 110 -2.851 -3.700 -14.002 839 H LEU 111 H LEU 111 -3.127 -3.322 -17.997 840 HA LEU 111 HA LEU 111 -4.563 -4.729 -20.006 841 HG LEU 111 HG LEU 111 -4.850 -2.057 -18.423 842 HB2 LEU 111 2HB LEU 111 -3.081 -2.099 -20.186 843 HB3 LEU 111 1HB LEU 111 -4.278 -2.677 -21.331 844 HD11 LEU 111 1HD1 LEU 111 -4.260 -0.026 -19.626 845 HD12 LEU 111 2HD1 LEU 111 -5.984 -0.055 -19.259 846 HD13 LEU 111 3HD1 LEU 111 -5.425 -0.417 -20.892 847 HD21 LEU 111 3HD2 LEU 111 -7.196 -2.208 -19.104 848 HD22 LEU 111 1HD2 LEU 111 -6.350 -3.731 -19.367 849 HD23 LEU 111 2HD2 LEU 111 -6.699 -2.670 -20.732 850 H GLU 112 H GLU 112 -1.197 -3.664 -19.759 851 HA GLU 112 HA GLU 112 -0.516 -4.895 -22.319 852 HB2 GLU 112 2HB GLU 112 1.182 -3.285 -20.392 853 HB3 GLU 112 1HB GLU 112 1.669 -3.806 -22.000 854 HG2 GLU 112 2HG GLU 112 -0.005 -2.402 -23.016 855 HG3 GLU 112 1HG GLU 112 -0.643 -1.958 -21.433 856 H HIS 113 H HIS 113 0.788 -6.684 -22.549 857 HA HIS 113 HA HIS 113 1.359 -8.266 -20.176 858 HD1 HIS 113 HD1 HIS 113 0.074 -8.427 -24.379 859 HD2 HIS 113 HD2 HIS 113 4.131 -9.014 -23.713 860 HE1 HIS 113 HE1 HIS 113 1.179 -8.046 -26.596 861 HE2 HIS 113 HE2 HIS 113 3.636 -8.164 -26.105 862 HB2 HIS 113 2HB HIS 113 2.219 -9.957 -21.795 863 HB3 HIS 113 1HB HIS 113 0.563 -9.465 -22.115 864 H HIS 114 H HIS 114 2.737 -5.753 -20.396 865 HA HIS 114 HA HIS 114 5.480 -6.288 -21.190 866 HD1 HIS 114 HD1 HIS 114 6.610 -4.224 -22.899 867 HD2 HIS 114 HD2 HIS 114 6.681 -2.650 -19.056 868 HE1 HIS 114 HE1 HIS 114 8.796 -3.010 -22.711 869 HE2 HIS 114 HE2 HIS 114 8.878 -2.187 -20.336 870 HB2 HIS 114 2HB HIS 114 4.259 -4.117 -21.647 871 HB3 HIS 114 1HB HIS 114 4.322 -3.789 -19.921 872 H HIS 115 H HIS 115 4.544 -7.871 -19.013 873 HA HIS 115 HA HIS 115 5.118 -7.057 -16.450 874 HD1 HIS 115 HD1 HIS 115 3.980 -10.098 -19.280 875 HD2 HIS 115 HD2 HIS 115 7.657 -10.775 -17.469 876 HE1 HIS 115 HE1 HIS 115 5.187 -11.700 -20.785 877 HE2 HIS 115 HE2 HIS 115 7.410 -12.092 -19.680 878 HB2 HIS 115 2HB HIS 115 5.629 -9.468 -15.992 879 HB3 HIS 115 1HB HIS 115 4.127 -9.204 -16.868 880 H HIS 116 H HIS 116 6.905 -6.640 -15.248 881 HA HIS 116 HA HIS 116 9.451 -6.448 -16.671 882 HD1 HIS 116 HD1 HIS 116 10.233 -3.060 -16.193 883 HD2 HIS 116 HD2 HIS 116 6.338 -4.304 -15.456 884 HE1 HIS 116 HE1 HIS 116 8.761 -1.289 -17.186 885 HE2 HIS 116 HE2 HIS 116 6.419 -2.120 -16.836 886 HB2 HIS 116 2HB HIS 116 8.616 -5.418 -13.946 887 HB3 HIS 116 1HB HIS 116 10.159 -5.082 -14.726 888 H HIS 117 H HIS 117 8.730 -9.108 -16.056 889 HA HIS 117 HA HIS 117 11.039 -9.926 -14.494 890 HD1 HIS 117 HD1 HIS 117 7.744 -8.749 -12.003 891 HD2 HIS 117 HD2 HIS 117 11.615 -10.211 -11.651 892 HE1 HIS 117 HE1 HIS 117 8.712 -7.606 -9.990 893 HE2 HIS 117 HE2 HIS 117 10.963 -8.681 -9.673 894 HB2 HIS 117 2HB HIS 117 8.209 -10.547 -13.653 895 HB3 HIS 117 1HB HIS 117 9.534 -11.626 -13.234 896 H HIS 118 H HIS 118 11.367 -12.328 -14.601 897 HA HIS 118 HA HIS 118 10.087 -13.547 -16.973 898 HD1 HIS 118 HD1 HIS 118 13.961 -11.639 -16.701 899 HD2 HIS 118 HD2 HIS 118 11.474 -13.165 -19.657 900 HE1 HIS 118 HE1 HIS 118 14.270 -10.135 -18.682 901 HE2 HIS 118 HE2 HIS 118 12.913 -11.198 -20.509 902 HB2 HIS 118 2HB HIS 118 12.967 -13.842 -16.069 903 HB3 HIS 118 1HB HIS 118 12.222 -14.780 -17.359 Start of MODEL 9 1 HA MET 1 HA MET 1 12.038 12.532 -5.276 2 H1 MET 1 1H MET 1 14.319 11.928 -4.766 3 H2 MET 1 2H MET 1 13.810 10.460 -4.097 4 H3 MET 1 3H MET 1 13.365 11.922 -3.371 5 HB2 MET 1 2HB MET 1 12.958 9.847 -6.329 6 HB3 MET 1 1HB MET 1 11.606 10.739 -7.009 7 HG2 MET 1 2HG MET 1 13.080 12.557 -7.634 8 HG3 MET 1 1HG MET 1 14.444 11.735 -6.876 9 HE1 MET 1 3HE MET 1 11.609 9.862 -8.838 10 HE2 MET 1 1HE MET 1 12.205 9.935 -10.496 11 HE3 MET 1 2HE MET 1 11.682 11.409 -9.682 12 H SER 2 H SER 2 9.796 11.909 -5.443 13 HA SER 2 HA SER 2 8.887 9.956 -3.471 14 HG SER 2 HG SER 2 7.231 11.931 -2.536 15 HB2 SER 2 2HB SER 2 7.336 11.786 -5.334 16 HB3 SER 2 1HB SER 2 6.588 10.687 -4.176 17 H GLY 3 H GLY 3 8.102 7.950 -3.948 18 HA2 GLY 3 2HA GLY 3 8.958 6.733 -6.344 19 HA3 GLY 3 1HA GLY 3 7.970 5.983 -5.108 20 H TRP 4 H TRP 4 6.547 4.904 -6.407 21 HA TRP 4 HA TRP 4 4.563 6.446 -7.836 22 HD1 TRP 4 HD1 TRP 4 5.230 2.640 -10.070 23 HE1 TRP 4 HE1 TRP 4 7.334 1.162 -10.149 24 HE3 TRP 4 HE3 TRP 4 8.710 6.125 -8.702 25 HZ2 TRP 4 HZ2 TRP 4 10.108 1.445 -9.697 26 HZ3 TRP 4 HZ3 TRP 4 11.067 5.442 -8.552 27 HH2 TRP 4 HH2 TRP 4 11.752 3.148 -9.038 28 HB2 TRP 4 2HB TRP 4 4.896 5.293 -10.001 29 HB3 TRP 4 1HB TRP 4 6.286 6.276 -9.557 30 H TYR 5 H TYR 5 3.031 4.835 -9.048 31 HA TYR 5 HA TYR 5 2.490 2.541 -7.261 32 HD1 TYR 5 HD1 TYR 5 1.571 6.174 -7.239 33 HD2 TYR 5 HD2 TYR 5 -0.493 2.752 -5.781 34 HE1 TYR 5 HE1 TYR 5 1.183 7.323 -5.098 35 HE2 TYR 5 HE2 TYR 5 -0.878 3.889 -3.633 36 HH TYR 5 HH TYR 5 -0.232 7.251 -3.192 37 HB2 TYR 5 2HB TYR 5 0.597 4.361 -8.772 38 HB3 TYR 5 1HB TYR 5 0.088 2.845 -8.037 39 H GLU 6 H GLU 6 2.452 0.539 -8.182 40 HA GLU 6 HA GLU 6 1.946 0.365 -11.089 41 HB2 GLU 6 2HB GLU 6 3.921 -1.264 -9.473 42 HB3 GLU 6 1HB GLU 6 3.416 -1.692 -11.103 43 HG2 GLU 6 2HG GLU 6 4.253 0.540 -11.868 44 HG3 GLU 6 1HG GLU 6 4.899 0.788 -10.250 45 H LEU 7 H LEU 7 0.095 -0.598 -11.500 46 HA LEU 7 HA LEU 7 -1.159 -2.363 -9.536 47 HG LEU 7 HG LEU 7 -3.402 -3.323 -11.366 48 HB2 LEU 7 2HB LEU 7 -2.491 -0.560 -10.538 49 HB3 LEU 7 1HB LEU 7 -2.203 -1.221 -12.137 50 HD11 LEU 7 1HD1 LEU 7 -4.905 -3.109 -9.445 51 HD12 LEU 7 2HD1 LEU 7 -4.193 -1.539 -9.065 52 HD13 LEU 7 3HD1 LEU 7 -3.211 -3.002 -8.972 53 HD21 LEU 7 3HD2 LEU 7 -4.937 -0.727 -11.450 54 HD22 LEU 7 1HD2 LEU 7 -5.637 -2.336 -11.654 55 HD23 LEU 7 2HD2 LEU 7 -4.471 -1.727 -12.828 56 H SER 8 H SER 8 -1.524 -4.528 -9.838 57 HA SER 8 HA SER 8 -0.756 -5.727 -12.422 58 HG SER 8 HG SER 8 -0.214 -6.002 -8.927 59 HB2 SER 8 2HB SER 8 0.345 -7.594 -11.219 60 HB3 SER 8 1HB SER 8 1.120 -6.050 -10.871 61 H LYS 9 H LYS 9 -1.660 -7.878 -12.808 62 HA LYS 9 HA LYS 9 -4.302 -8.162 -11.527 63 HB2 LYS 9 2HB LYS 9 -4.447 -7.651 -13.893 64 HB3 LYS 9 1HB LYS 9 -3.347 -8.965 -14.287 65 HG2 LYS 9 2HG LYS 9 -4.988 -10.596 -13.541 66 HG3 LYS 9 1HG LYS 9 -6.090 -9.306 -13.072 67 HD2 LYS 9 2HD LYS 9 -5.101 -9.773 -15.892 68 HD3 LYS 9 1HD LYS 9 -6.636 -10.373 -15.262 69 HE2 LYS 9 2HE LYS 9 -7.250 -7.998 -14.742 70 HE3 LYS 9 1HE LYS 9 -5.789 -7.494 -15.592 71 HZ1 LYS 9 3HZ LYS 9 -7.977 -9.094 -16.797 72 HZ2 LYS 9 1HZ LYS 9 -6.622 -8.478 -17.601 73 HZ3 LYS 9 2HZ LYS 9 -7.792 -7.425 -16.982 74 H SER 10 H SER 10 -5.127 -10.260 -11.079 75 HA SER 10 HA SER 10 -3.081 -12.375 -10.754 76 HG SER 10 HG SER 10 -4.471 -13.751 -7.990 77 HB2 SER 10 2HB SER 10 -4.032 -11.752 -8.617 78 HB3 SER 10 1HB SER 10 -5.670 -11.907 -9.249 79 H SER 11 H SER 11 -4.168 -14.656 -10.727 80 HA SER 11 HA SER 11 -5.046 -15.195 -13.355 81 HG SER 11 HG SER 11 -3.297 -17.695 -12.616 82 HB2 SER 11 2HB SER 11 -5.173 -16.975 -10.903 83 HB3 SER 11 1HB SER 11 -5.380 -17.521 -12.567 84 H ASN 12 H ASN 12 -6.831 -14.301 -10.561 85 HA ASN 12 HA ASN 12 -9.380 -15.346 -11.496 86 HB2 ASN 12 2HB ASN 12 -8.865 -13.351 -9.278 87 HB3 ASN 12 1HB ASN 12 -10.321 -14.311 -9.522 88 HD21 ASN 12 1HD2 ASN 12 -8.521 -14.136 -7.234 89 HD22 ASN 12 2HD2 ASN 12 -7.981 -15.749 -6.931 90 H ASP 13 H ASP 13 -7.573 -13.032 -12.747 91 HA ASP 13 HA ASP 13 -7.839 -11.142 -13.955 92 HB2 ASP 13 2HB ASP 13 -9.838 -12.470 -14.828 93 HB3 ASP 13 1HB ASP 13 -10.834 -11.517 -13.733 94 H GLN 14 H GLN 14 -8.185 -11.303 -10.896 95 HA GLN 14 HA GLN 14 -9.439 -8.764 -10.268 96 HB2 GLN 14 2HB GLN 14 -7.906 -10.726 -8.544 97 HB3 GLN 14 1HB GLN 14 -8.683 -9.268 -7.941 98 HG2 GLN 14 2HG GLN 14 -10.863 -10.142 -8.670 99 HG3 GLN 14 1HG GLN 14 -10.072 -11.610 -9.241 100 HE21 GLN 14 1HE2 GLN 14 -11.020 -9.777 -6.438 101 HE22 GLN 14 2HE2 GLN 14 -10.804 -11.051 -5.292 102 H PHE 15 H PHE 15 -8.126 -7.236 -8.788 103 HA PHE 15 HA PHE 15 -5.518 -6.756 -10.103 104 HD1 PHE 15 HD1 PHE 15 -5.692 -4.961 -12.424 105 HD2 PHE 15 HD2 PHE 15 -9.448 -5.555 -10.511 106 HE1 PHE 15 HE1 PHE 15 -6.761 -5.247 -14.620 107 HE2 PHE 15 HE2 PHE 15 -10.522 -5.836 -12.702 108 HZ PHE 15 HZ PHE 15 -9.180 -5.683 -14.760 109 HB2 PHE 15 2HB PHE 15 -7.567 -4.683 -9.280 110 HB3 PHE 15 1HB PHE 15 -6.026 -4.364 -10.077 111 H LYS 16 H LYS 16 -3.875 -5.809 -8.929 112 HA LYS 16 HA LYS 16 -4.226 -5.121 -6.126 113 HB2 LYS 16 2HB LYS 16 -2.361 -6.671 -5.438 114 HB3 LYS 16 1HB LYS 16 -3.856 -7.480 -5.892 115 HG2 LYS 16 2HG LYS 16 -2.907 -7.982 -8.105 116 HG3 LYS 16 1HG LYS 16 -1.404 -7.187 -7.634 117 HD2 LYS 16 2HD LYS 16 -1.044 -8.839 -5.884 118 HD3 LYS 16 1HD LYS 16 -2.591 -9.603 -6.254 119 HE2 LYS 16 2HE LYS 16 -0.803 -10.886 -7.254 120 HE3 LYS 16 1HE LYS 16 -1.749 -10.118 -8.529 121 HZ1 LYS 16 3HZ LYS 16 0.542 -9.868 -9.042 122 HZ2 LYS 16 1HZ LYS 16 0.896 -9.260 -7.501 123 HZ3 LYS 16 2HZ LYS 16 -0.036 -8.349 -8.581 124 H PHE 17 H PHE 17 -3.038 -3.324 -5.744 125 HA PHE 17 HA PHE 17 -0.894 -2.678 -7.662 126 HD1 PHE 17 HD1 PHE 17 -1.126 0.369 -4.740 127 HD2 PHE 17 HD2 PHE 17 -4.667 -1.433 -6.291 128 HE1 PHE 17 HE1 PHE 17 -2.386 1.151 -2.778 129 HE2 PHE 17 HE2 PHE 17 -5.921 -0.654 -4.325 130 HZ PHE 17 HZ PHE 17 -4.782 0.641 -2.569 131 HB2 PHE 17 2HB PHE 17 -1.278 -0.317 -7.081 132 HB3 PHE 17 1HB PHE 17 -2.728 -1.089 -7.703 133 H VAL 18 H VAL 18 1.037 -1.711 -6.984 134 HA VAL 18 HA VAL 18 1.686 -1.995 -4.116 135 HB VAL 18 HB VAL 18 3.996 -2.519 -4.723 136 HG11 VAL 18 1HG1 VAL 18 3.646 -4.764 -5.670 137 HG12 VAL 18 2HG1 VAL 18 1.994 -4.318 -6.096 138 HG13 VAL 18 3HG1 VAL 18 2.482 -4.384 -4.402 139 HG21 VAL 18 3HG2 VAL 18 4.625 -2.999 -7.059 140 HG22 VAL 18 1HG2 VAL 18 4.167 -1.312 -6.833 141 HG23 VAL 18 2HG2 VAL 18 3.041 -2.435 -7.592 142 H LEU 19 H LEU 19 2.859 -0.372 -3.155 143 HA LEU 19 HA LEU 19 3.358 2.065 -4.742 144 HG LEU 19 HG LEU 19 4.369 3.529 -1.948 145 HB2 LEU 19 2HB LEU 19 1.741 2.456 -3.002 146 HB3 LEU 19 1HB LEU 19 2.763 1.685 -1.803 147 HD11 LEU 19 1HD1 LEU 19 3.856 5.544 -3.243 148 HD12 LEU 19 2HD1 LEU 19 2.459 4.733 -3.950 149 HD13 LEU 19 3HD1 LEU 19 4.085 4.139 -4.282 150 HD21 LEU 19 3HD2 LEU 19 2.527 3.685 -0.343 151 HD22 LEU 19 1HD2 LEU 19 1.535 4.501 -1.554 152 HD23 LEU 19 2HD2 LEU 19 2.995 5.276 -0.940 153 H LYS 20 H LYS 20 5.392 2.823 -4.906 154 HA LYS 20 HA LYS 20 7.496 1.458 -3.335 155 HB2 LYS 20 2HB LYS 20 7.593 2.494 -6.175 156 HB3 LYS 20 1HB LYS 20 8.984 1.867 -5.297 157 HG2 LYS 20 2HG LYS 20 7.868 -0.313 -5.104 158 HG3 LYS 20 1HG LYS 20 6.493 0.321 -6.013 159 HD2 LYS 20 2HD LYS 20 7.897 0.683 -7.956 160 HD3 LYS 20 1HD LYS 20 9.328 0.183 -7.052 161 HE2 LYS 20 2HE LYS 20 8.366 -2.060 -6.789 162 HE3 LYS 20 1HE LYS 20 6.947 -1.553 -7.707 163 HZ1 LYS 20 3HZ LYS 20 8.606 -2.777 -9.026 164 HZ2 LYS 20 1HZ LYS 20 9.715 -1.529 -8.771 165 HZ3 LYS 20 2HZ LYS 20 8.288 -1.234 -9.633 166 H ALA 21 H ALA 21 9.438 2.641 -2.905 167 HA ALA 21 HA ALA 21 9.059 5.492 -2.462 168 HB1 ALA 21 3HB ALA 21 11.400 3.701 -1.796 169 HB2 ALA 21 1HB ALA 21 10.083 4.130 -0.705 170 HB3 ALA 21 2HB ALA 21 11.197 5.374 -1.274 171 H GLY 22 H GLY 22 11.153 6.868 -2.944 172 HA2 GLY 22 2HA GLY 22 11.326 7.165 -5.726 173 HA3 GLY 22 1HA GLY 22 12.402 7.919 -4.562 174 H ASN 23 H ASN 23 13.098 5.008 -3.711 175 HA ASN 23 HA ASN 23 15.334 4.766 -5.561 176 HB2 ASN 23 2HB ASN 23 16.119 3.026 -3.901 177 HB3 ASN 23 1HB ASN 23 15.936 4.657 -3.262 178 HD21 ASN 23 1HD2 ASN 23 15.706 3.907 -1.158 179 HD22 ASN 23 2HD2 ASN 23 14.271 3.111 -0.614 180 H GLY 24 H GLY 24 12.250 3.429 -5.349 181 HA2 GLY 24 2HA GLY 24 11.424 1.959 -7.034 182 HA3 GLY 24 1HA GLY 24 13.030 1.273 -7.200 183 H GLU 25 H GLU 25 12.524 1.435 -3.950 184 HA GLU 25 HA GLU 25 11.881 -1.385 -3.763 185 HB2 GLU 25 2HB GLU 25 13.599 -0.514 -2.291 186 HB3 GLU 25 1HB GLU 25 12.494 0.692 -1.642 187 HG2 GLU 25 2HG GLU 25 11.110 -1.123 -0.697 188 HG3 GLU 25 1HG GLU 25 12.276 -2.300 -1.296 189 H VAL 26 H VAL 26 10.000 -2.291 -3.031 190 HA VAL 26 HA VAL 26 7.613 -0.689 -2.953 191 HB VAL 26 HB VAL 26 7.974 -3.617 -2.245 192 HG11 VAL 26 1HG1 VAL 26 5.561 -3.804 -2.637 193 HG12 VAL 26 2HG1 VAL 26 5.466 -2.068 -2.922 194 HG13 VAL 26 3HG1 VAL 26 5.906 -2.675 -1.327 195 HG21 VAL 26 3HG2 VAL 26 8.675 -3.136 -4.541 196 HG22 VAL 26 1HG2 VAL 26 7.128 -2.350 -4.859 197 HG23 VAL 26 2HG2 VAL 26 7.187 -4.082 -4.517 198 H ILE 27 H ILE 27 6.562 0.119 -1.219 199 HA ILE 27 HA ILE 27 7.508 -0.627 1.479 200 HB ILE 27 HB ILE 27 6.484 1.581 2.200 201 HG12 ILE 27 2HG1 ILE 27 6.443 2.026 -0.801 202 HG13 ILE 27 1HG1 ILE 27 5.052 2.014 0.279 203 HG21 ILE 27 1HG2 ILE 27 8.905 1.226 1.943 204 HG22 ILE 27 2HG2 ILE 27 8.426 2.881 1.563 205 HG23 ILE 27 3HG2 ILE 27 8.792 1.747 0.260 206 HD11 ILE 27 3HD1 ILE 27 7.276 4.043 0.269 207 HD12 ILE 27 1HD1 ILE 27 5.910 4.024 1.384 208 HD13 ILE 27 2HD1 ILE 27 5.638 4.271 -0.340 209 H LEU 28 H LEU 28 4.572 0.124 -0.399 210 HA LEU 28 HA LEU 28 3.008 -1.416 1.581 211 HG LEU 28 HG LEU 28 1.320 1.776 2.445 212 HB2 LEU 28 2HB LEU 28 2.379 1.223 0.297 213 HB3 LEU 28 1HB LEU 28 1.060 0.143 0.698 214 HD11 LEU 28 1HD1 LEU 28 0.651 -0.444 3.155 215 HD12 LEU 28 2HD1 LEU 28 1.635 0.336 4.392 216 HD13 LEU 28 3HD1 LEU 28 2.340 -0.909 3.361 217 HD21 LEU 28 3HD2 LEU 28 4.156 0.813 2.794 218 HD22 LEU 28 1HD2 LEU 28 3.333 2.051 3.743 219 HD23 LEU 28 2HD2 LEU 28 3.683 2.335 2.038 220 H THR 29 H THR 29 1.521 -2.882 0.790 221 HA THR 29 HA THR 29 0.914 -2.894 -2.093 222 HB THR 29 HB THR 29 1.808 -5.354 -0.554 223 HG1 THR 29 HG1 THR 29 3.233 -3.542 -1.860 224 HG21 THR 29 3HG2 THR 29 0.951 -5.078 -3.442 225 HG22 THR 29 1HG2 THR 29 0.036 -5.887 -2.167 226 HG23 THR 29 2HG2 THR 29 1.589 -6.541 -2.691 227 H SER 30 H SER 30 -1.167 -3.575 -2.597 228 HA SER 30 HA SER 30 -2.941 -3.967 -0.275 229 HG SER 30 HG SER 30 -5.576 -2.383 -1.754 230 HB2 SER 30 2HB SER 30 -3.417 -2.051 -1.799 231 HB3 SER 30 1HB SER 30 -3.712 -3.200 -3.104 232 H GLU 31 H GLU 31 -5.147 -5.105 -1.317 233 HA GLU 31 HA GLU 31 -4.212 -7.823 -1.968 234 HB2 GLU 31 2HB GLU 31 -6.790 -6.881 -0.692 235 HB3 GLU 31 1HB GLU 31 -6.432 -8.556 -1.091 236 HG2 GLU 31 2HG GLU 31 -4.417 -8.367 0.415 237 HG3 GLU 31 1HG GLU 31 -5.059 -6.812 0.942 238 H LEU 32 H LEU 32 -6.588 -8.962 -2.837 239 HA LEU 32 HA LEU 32 -6.546 -8.095 -5.597 240 HG LEU 32 HG LEU 32 -5.532 -10.725 -4.262 241 HB2 LEU 32 2HB LEU 32 -7.968 -10.395 -4.254 242 HB3 LEU 32 1HB LEU 32 -7.944 -10.116 -5.985 243 HD11 LEU 32 1HD1 LEU 32 -6.971 -12.409 -6.315 244 HD12 LEU 32 2HD1 LEU 32 -6.973 -12.666 -4.570 245 HD13 LEU 32 3HD1 LEU 32 -5.477 -12.847 -5.484 246 HD21 LEU 32 3HD2 LEU 32 -4.966 -9.237 -6.117 247 HD22 LEU 32 1HD2 LEU 32 -5.743 -10.342 -7.252 248 HD23 LEU 32 2HD2 LEU 32 -4.301 -10.849 -6.373 249 H TYR 33 H TYR 33 -7.741 -6.287 -5.968 250 HA TYR 33 HA TYR 33 -10.470 -5.990 -5.074 251 HD1 TYR 33 HD2 TYR 33 -6.969 -4.374 -5.485 252 HD2 TYR 33 HD1 TYR 33 -10.823 -2.795 -4.602 253 HE1 TYR 33 HE2 TYR 33 -6.007 -3.071 -3.639 254 HE2 TYR 33 HE1 TYR 33 -9.868 -1.486 -2.751 255 HH TYR 33 HH TYR 33 -7.916 -1.540 -1.277 256 HB2 TYR 33 2HB TYR 33 -8.857 -4.460 -7.138 257 HB3 TYR 33 1HB TYR 33 -10.478 -4.016 -6.616 258 H THR 34 H THR 34 -12.335 -6.004 -6.434 259 HA THR 34 HA THR 34 -12.350 -8.103 -8.394 260 HB THR 34 HB THR 34 -14.755 -7.607 -8.622 261 HG1 THR 34 HG1 THR 34 -15.662 -5.885 -7.510 262 HG21 THR 34 3HG2 THR 34 -13.991 -9.042 -6.770 263 HG22 THR 34 1HG2 THR 34 -15.426 -8.117 -6.328 264 HG23 THR 34 2HG2 THR 34 -13.840 -7.620 -5.737 265 H GLY 35 H GLY 35 -13.000 -4.593 -8.549 266 HA2 GLY 35 2HA GLY 35 -12.580 -4.719 -11.479 267 HA3 GLY 35 1HA GLY 35 -13.575 -3.522 -10.670 268 H LYS 36 H LYS 36 -11.290 -3.164 -12.521 269 HA LYS 36 HA LYS 36 -8.999 -2.323 -11.065 270 HB2 LYS 36 2HB LYS 36 -8.847 -2.910 -13.423 271 HB3 LYS 36 1HB LYS 36 -9.909 -1.579 -13.858 272 HG2 LYS 36 2HG LYS 36 -8.274 0.036 -13.384 273 HG3 LYS 36 1HG LYS 36 -7.304 -1.095 -12.444 274 HD2 LYS 36 2HD LYS 36 -6.189 -0.713 -14.529 275 HD3 LYS 36 1HD LYS 36 -6.831 -2.351 -14.548 276 HE2 LYS 36 2HE LYS 36 -8.248 -0.009 -15.818 277 HE3 LYS 36 1HE LYS 36 -7.095 -1.020 -16.683 278 HZ1 LYS 36 3HZ LYS 36 -9.652 -1.911 -15.463 279 HZ2 LYS 36 1HZ LYS 36 -8.518 -2.942 -16.184 280 HZ3 LYS 36 2HZ LYS 36 -9.314 -1.772 -17.106 281 H SER 37 H SER 37 -11.949 -0.676 -12.019 282 HA SER 37 HA SER 37 -11.244 1.969 -11.428 283 HG SER 37 HG SER 37 -14.791 2.573 -10.829 284 HB2 SER 37 2HB SER 37 -13.384 1.460 -12.471 285 HB3 SER 37 1HB SER 37 -13.914 0.580 -11.038 286 H GLY 38 H GLY 38 -12.659 -0.499 -9.255 287 HA2 GLY 38 2HA GLY 38 -12.551 0.993 -6.878 288 HA3 GLY 38 1HA GLY 38 -12.532 -0.761 -6.977 289 H ALA 39 H ALA 39 -10.079 -0.986 -8.451 290 HA ALA 39 HA ALA 39 -8.162 -0.944 -6.383 291 HB1 ALA 39 3HB ALA 39 -8.047 -2.481 -8.294 292 HB2 ALA 39 1HB ALA 39 -6.548 -1.568 -8.106 293 HB3 ALA 39 2HB ALA 39 -7.701 -1.122 -9.365 294 H MET 40 H MET 40 -8.427 1.149 -9.289 295 HA MET 40 HA MET 40 -6.342 2.914 -8.613 296 HB2 MET 40 2HB MET 40 -8.844 3.497 -10.224 297 HB3 MET 40 1HB MET 40 -7.403 4.509 -10.175 298 HG2 MET 40 2HG MET 40 -7.445 1.661 -11.155 299 HG3 MET 40 1HG MET 40 -7.563 3.083 -12.192 300 HE1 MET 40 3HE MET 40 -5.463 2.255 -13.627 301 HE2 MET 40 1HE MET 40 -5.367 0.816 -12.612 302 HE3 MET 40 2HE MET 40 -3.924 1.784 -12.907 303 H ASN 41 H ASN 41 -9.834 3.108 -7.955 304 HA ASN 41 HA ASN 41 -9.983 5.465 -6.519 305 HB2 ASN 41 2HB ASN 41 -11.933 4.073 -7.111 306 HB3 ASN 41 1HB ASN 41 -11.425 2.858 -5.944 307 HD21 ASN 41 1HD2 ASN 41 -13.221 2.976 -4.672 308 HD22 ASN 41 2HD2 ASN 41 -13.633 4.362 -3.729 309 H GLY 42 H GLY 42 -9.149 2.219 -5.302 310 HA2 GLY 42 2HA GLY 42 -8.576 2.898 -2.642 311 HA3 GLY 42 1HA GLY 42 -7.860 1.555 -3.519 312 H ILE 43 H ILE 43 -6.557 3.105 -5.543 313 HA ILE 43 HA ILE 43 -4.112 3.741 -4.268 314 HB ILE 43 HB ILE 43 -5.124 4.448 -7.032 315 HG12 ILE 43 2HG1 ILE 43 -3.183 2.313 -6.099 316 HG13 ILE 43 1HG1 ILE 43 -4.848 2.031 -6.593 317 HG21 ILE 43 1HG2 ILE 43 -2.758 4.911 -7.590 318 HG22 ILE 43 2HG2 ILE 43 -2.359 4.780 -5.878 319 HG23 ILE 43 3HG2 ILE 43 -3.441 6.055 -6.438 320 HD11 ILE 43 3HD1 ILE 43 -4.299 2.804 -8.851 321 HD12 ILE 43 1HD1 ILE 43 -3.305 1.434 -8.354 322 HD13 ILE 43 2HD1 ILE 43 -2.628 3.062 -8.346 323 H GLU 44 H GLU 44 -6.600 5.838 -5.725 324 HA GLU 44 HA GLU 44 -5.454 8.310 -5.039 325 HB2 GLU 44 2HB GLU 44 -8.406 7.673 -5.310 326 HB3 GLU 44 1HB GLU 44 -7.659 9.259 -5.466 327 HG2 GLU 44 2HG GLU 44 -6.428 8.467 -7.447 328 HG3 GLU 44 1HG GLU 44 -7.224 6.903 -7.300 329 H SER 45 H SER 45 -7.460 6.077 -3.218 330 HA SER 45 HA SER 45 -7.901 7.699 -0.935 331 HG SER 45 HG SER 45 -9.459 5.462 -2.317 332 HB2 SER 45 2HB SER 45 -7.709 4.679 -1.168 333 HB3 SER 45 1HB SER 45 -8.277 5.537 0.264 334 H VAL 46 H VAL 46 -5.305 5.371 -1.726 335 HA VAL 46 HA VAL 46 -3.793 5.637 0.619 336 HB VAL 46 HB VAL 46 -2.769 5.160 -2.197 337 HG11 VAL 46 1HG1 VAL 46 -0.968 5.872 -0.708 338 HG12 VAL 46 2HG1 VAL 46 -0.801 4.164 -1.111 339 HG13 VAL 46 3HG1 VAL 46 -1.431 4.638 0.466 340 HG21 VAL 46 3HG2 VAL 46 -3.490 3.182 -0.023 341 HG22 VAL 46 1HG2 VAL 46 -2.820 2.786 -1.607 342 HG23 VAL 46 2HG2 VAL 46 -4.428 3.497 -1.482 343 H GLN 47 H GLN 47 -3.564 7.473 -2.423 344 HA GLN 47 HA GLN 47 -1.536 9.254 -1.734 345 HB2 GLN 47 2HB GLN 47 -3.976 9.759 -3.458 346 HB3 GLN 47 1HB GLN 47 -2.539 10.771 -3.428 347 HG2 GLN 47 2HG GLN 47 -1.198 9.031 -4.367 348 HG3 GLN 47 1HG GLN 47 -2.503 7.857 -4.189 349 HE21 GLN 47 1HE2 GLN 47 -1.032 8.731 -6.584 350 HE22 GLN 47 2HE2 GLN 47 -2.248 9.272 -7.690 351 H THR 48 H THR 48 -5.044 9.603 -1.256 352 HA THR 48 HA THR 48 -4.968 12.176 -0.063 353 HB THR 48 HB THR 48 -7.082 10.016 0.203 354 HG1 THR 48 HG1 THR 48 -7.038 10.517 -1.918 355 HG21 THR 48 3HG2 THR 48 -7.275 12.995 0.694 356 HG22 THR 48 1HG2 THR 48 -7.331 11.736 1.931 357 HG23 THR 48 2HG2 THR 48 -8.620 11.856 0.734 358 H ASN 49 H ASN 49 -4.873 8.923 1.300 359 HA ASN 49 HA ASN 49 -5.061 9.832 4.035 360 HB2 ASN 49 2HB ASN 49 -4.542 7.096 2.857 361 HB3 ASN 49 1HB ASN 49 -4.706 7.414 4.583 362 HD21 ASN 49 1HD2 ASN 49 -6.346 5.808 2.739 363 HD22 ASN 49 2HD2 ASN 49 -7.948 6.419 2.901 364 H SER 50 H SER 50 -2.511 9.106 1.810 365 HA SER 50 HA SER 50 -0.357 8.300 3.189 366 HG SER 50 HG SER 50 1.822 8.994 1.913 367 HB2 SER 50 2HB SER 50 -0.156 8.787 0.851 368 HB3 SER 50 1HB SER 50 -0.450 10.503 1.119 369 HA PRO 51 HA PRO 51 0.863 12.492 5.116 370 HB2 PRO 51 2HB PRO 51 -0.596 14.709 4.829 371 HB3 PRO 51 1HB PRO 51 0.453 14.133 3.527 372 HG2 PRO 51 2HG PRO 51 -2.515 13.821 3.843 373 HG3 PRO 51 1HG PRO 51 -1.586 14.260 2.397 374 HD2 PRO 51 2HD PRO 51 -2.508 11.715 2.932 375 HD3 PRO 51 1HD PRO 51 -1.113 12.071 1.895 376 H ILE 52 H ILE 52 -1.965 10.914 5.669 377 HA ILE 52 HA ILE 52 -2.702 12.497 8.053 378 HB ILE 52 HB ILE 52 -4.380 10.388 6.676 379 HG12 ILE 52 2HG1 ILE 52 -4.600 13.410 6.488 380 HG13 ILE 52 1HG1 ILE 52 -3.999 12.357 5.210 381 HG21 ILE 52 1HG2 ILE 52 -4.910 10.699 9.043 382 HG22 ILE 52 2HG2 ILE 52 -6.212 11.313 8.027 383 HG23 ILE 52 3HG2 ILE 52 -5.085 12.436 8.789 384 HD11 ILE 52 3HD1 ILE 52 -6.789 12.348 6.348 385 HD12 ILE 52 1HD1 ILE 52 -6.190 11.272 5.084 386 HD13 ILE 52 2HD1 ILE 52 -6.293 13.008 4.790 387 H GLU 53 H GLU 53 -1.431 11.694 9.674 388 HA GLU 53 HA GLU 53 -0.691 9.063 10.202 389 HB2 GLU 53 2HB GLU 53 0.299 10.930 11.379 390 HB3 GLU 53 1HB GLU 53 -1.245 11.362 12.091 391 HG2 GLU 53 2HG GLU 53 0.029 10.343 13.791 392 HG3 GLU 53 1HG GLU 53 -1.190 9.167 13.311 393 H ALA 54 H ALA 54 -3.715 10.711 10.891 394 HA ALA 54 HA ALA 54 -4.799 8.860 12.726 395 HB1 ALA 54 3HB ALA 54 -6.927 9.957 12.321 396 HB2 ALA 54 1HB ALA 54 -6.275 10.726 10.874 397 HB3 ALA 54 2HB ALA 54 -5.633 11.147 12.462 398 H ARG 55 H ARG 55 -4.164 8.301 9.454 399 HA ARG 55 HA ARG 55 -6.333 6.294 9.277 400 HE ARG 55 HE ARG 55 -8.508 6.618 6.951 401 HB2 ARG 55 2HB ARG 55 -4.551 7.261 7.027 402 HB3 ARG 55 1HB ARG 55 -5.959 6.220 6.884 403 HG2 ARG 55 2HG ARG 55 -5.858 9.156 7.488 404 HG3 ARG 55 1HG ARG 55 -6.672 8.331 6.160 405 HD2 ARG 55 2HD ARG 55 -7.445 8.344 9.074 406 HD3 ARG 55 1HD ARG 55 -8.329 9.054 7.727 407 HH11 ARG 55 1HH1 ARG 55 -8.355 7.557 10.258 408 HH12 ARG 55 2HH1 ARG 55 -9.381 6.278 10.791 409 HH21 ARG 55 1HH2 ARG 55 -9.844 4.947 7.672 410 HH22 ARG 55 2HH2 ARG 55 -10.217 4.835 9.359 411 H TYR 56 H TYR 56 -3.366 6.370 10.440 412 HA TYR 56 HA TYR 56 -2.182 4.113 9.033 413 HD1 TYR 56 HD2 TYR 56 0.530 3.812 8.741 414 HD2 TYR 56 HD1 TYR 56 -0.088 4.624 12.874 415 HE1 TYR 56 HE2 TYR 56 2.326 2.242 9.318 416 HE2 TYR 56 HE1 TYR 56 1.705 3.055 13.455 417 HH TYR 56 HH TYR 56 3.874 1.802 11.157 418 HB2 TYR 56 2HB TYR 56 -0.686 5.898 9.596 419 HB3 TYR 56 1HB TYR 56 -1.219 5.903 11.273 420 H ALA 57 H ALA 57 -1.723 2.088 9.934 421 HA ALA 57 HA ALA 57 -2.632 1.509 12.671 422 HB1 ALA 57 3HB ALA 57 -3.456 -0.118 10.261 423 HB2 ALA 57 1HB ALA 57 -4.508 0.937 11.205 424 HB3 ALA 57 2HB ALA 57 -3.816 -0.507 11.944 425 H LYS 58 H LYS 58 -1.541 -0.218 13.694 426 HA LYS 58 HA LYS 58 0.897 -1.151 12.302 427 HB2 LYS 58 2HB LYS 58 0.316 -0.928 15.267 428 HB3 LYS 58 1HB LYS 58 1.808 -1.557 14.579 429 HG2 LYS 58 2HG LYS 58 2.263 0.621 13.564 430 HG3 LYS 58 1HG LYS 58 0.765 1.252 14.252 431 HD2 LYS 58 2HD LYS 58 1.609 0.854 16.507 432 HD3 LYS 58 1HD LYS 58 3.090 0.155 15.848 433 HE2 LYS 58 2HE LYS 58 3.662 2.300 14.831 434 HE3 LYS 58 1HE LYS 58 2.162 3.001 15.437 435 HZ1 LYS 58 3HZ LYS 58 4.304 1.889 17.163 436 HZ2 LYS 58 1HZ LYS 58 2.921 2.715 17.675 437 HZ3 LYS 58 2HZ LYS 58 4.121 3.531 16.804 438 H GLU 59 H GLU 59 1.364 -3.309 12.121 439 HA GLU 59 HA GLU 59 -0.313 -5.261 13.553 440 HB2 GLU 59 2HB GLU 59 0.089 -5.040 10.587 441 HB3 GLU 59 1HB GLU 59 -0.140 -6.626 11.307 442 HG2 GLU 59 2HG GLU 59 -2.060 -4.330 11.649 443 HG3 GLU 59 1HG GLU 59 -2.211 -5.579 10.413 444 H VAL 60 H VAL 60 0.901 -6.701 14.600 445 HA VAL 60 HA VAL 60 3.585 -7.348 13.534 446 HB VAL 60 HB VAL 60 2.751 -7.380 16.449 447 HG11 VAL 60 1HG1 VAL 60 5.443 -7.840 15.150 448 HG12 VAL 60 2HG1 VAL 60 4.444 -9.055 15.950 449 HG13 VAL 60 3HG1 VAL 60 5.150 -7.739 16.887 450 HG21 VAL 60 3HG2 VAL 60 4.248 -5.441 16.705 451 HG22 VAL 60 1HG2 VAL 60 2.904 -5.090 15.618 452 HG23 VAL 60 2HG2 VAL 60 4.507 -5.419 14.960 453 H ALA 61 H ALA 61 3.495 -9.314 12.623 454 HA ALA 61 HA ALA 61 1.572 -11.304 13.318 455 HB1 ALA 61 3HB ALA 61 2.565 -11.112 11.067 456 HB2 ALA 61 1HB ALA 61 2.735 -12.734 11.739 457 HB3 ALA 61 2HB ALA 61 4.117 -11.636 11.722 458 H LYS 62 H LYS 62 1.871 -13.321 14.407 459 HA LYS 62 HA LYS 62 3.508 -13.246 16.702 460 HB2 LYS 62 2HB LYS 62 1.359 -14.718 16.007 461 HB3 LYS 62 1HB LYS 62 2.611 -15.917 15.719 462 HG2 LYS 62 2HG LYS 62 2.285 -14.427 18.324 463 HG3 LYS 62 1HG LYS 62 1.550 -15.993 17.990 464 HD2 LYS 62 2HD LYS 62 3.714 -17.026 17.753 465 HD3 LYS 62 1HD LYS 62 4.522 -15.461 17.855 466 HE2 LYS 62 2HE LYS 62 2.891 -16.708 20.067 467 HE3 LYS 62 1HE LYS 62 4.650 -16.774 19.952 468 HZ1 LYS 62 3HZ LYS 62 4.065 -15.009 21.407 469 HZ2 LYS 62 1HZ LYS 62 2.976 -14.349 20.295 470 HZ3 LYS 62 2HZ LYS 62 4.640 -14.309 19.983 471 H ASN 63 H ASN 63 4.266 -14.088 13.494 472 HA ASN 63 HA ASN 63 6.625 -15.632 13.963 473 HB2 ASN 63 2HB ASN 63 5.215 -15.232 11.786 474 HB3 ASN 63 1HB ASN 63 6.219 -13.807 11.594 475 HD21 ASN 63 1HD2 ASN 63 8.590 -15.244 12.734 476 HD22 ASN 63 2HD2 ASN 63 9.112 -16.275 11.459 477 H ASP 64 H ASP 64 6.053 -12.794 15.266 478 HA ASP 64 HA ASP 64 7.177 -10.981 15.989 479 HB2 ASP 64 2HB ASP 64 9.477 -12.862 15.457 480 HB3 ASP 64 1HB ASP 64 9.722 -11.259 16.149 481 H LYS 65 H LYS 65 6.322 -10.891 13.349 482 HA LYS 65 HA LYS 65 8.421 -9.311 12.000 483 HB2 LYS 65 2HB LYS 65 5.870 -10.451 10.824 484 HB3 LYS 65 1HB LYS 65 7.136 -9.608 9.941 485 HG2 LYS 65 2HG LYS 65 8.710 -11.425 10.527 486 HG3 LYS 65 1HG LYS 65 7.385 -12.281 11.320 487 HD2 LYS 65 2HD LYS 65 7.518 -11.533 8.395 488 HD3 LYS 65 1HD LYS 65 7.769 -13.143 9.062 489 HE2 LYS 65 2HE LYS 65 5.477 -13.217 9.847 490 HE3 LYS 65 1HE LYS 65 5.212 -11.557 9.317 491 HZ1 LYS 65 3HZ LYS 65 4.399 -13.431 7.823 492 HZ2 LYS 65 1HZ LYS 65 6.021 -13.662 7.406 493 HZ3 LYS 65 2HZ LYS 65 5.268 -12.181 7.093 494 HA PRO 66 HA PRO 66 5.601 -5.980 13.357 495 HB2 PRO 66 2HB PRO 66 7.461 -4.047 13.563 496 HB3 PRO 66 1HB PRO 66 7.275 -5.296 14.800 497 HG2 PRO 66 2HG PRO 66 9.285 -5.110 12.582 498 HG3 PRO 66 1HG PRO 66 9.524 -5.581 14.276 499 HD2 PRO 66 2HD PRO 66 9.275 -7.373 12.206 500 HD3 PRO 66 1HD PRO 66 8.863 -7.745 13.891 501 H TYR 67 H TYR 67 4.446 -5.748 11.432 502 HA TYR 67 HA TYR 67 5.625 -3.866 9.485 503 HD1 TYR 67 HD2 TYR 67 4.256 -7.711 10.139 504 HD2 TYR 67 HD1 TYR 67 1.953 -5.204 7.569 505 HE1 TYR 67 HE2 TYR 67 2.315 -9.186 10.437 506 HE2 TYR 67 HE1 TYR 67 0.015 -6.683 7.863 507 HH TYR 67 HH TYR 67 -0.155 -9.046 10.266 508 HB2 TYR 67 2HB TYR 67 4.280 -4.873 7.718 509 HB3 TYR 67 1HB TYR 67 5.319 -6.076 8.460 510 H PHE 68 H PHE 68 3.477 -2.964 8.105 511 HA PHE 68 HA PHE 68 1.474 -2.166 10.088 512 HD1 PHE 68 HD2 PHE 68 5.150 -0.949 8.747 513 HD2 PHE 68 HD1 PHE 68 1.744 1.271 7.479 514 HE1 PHE 68 HE2 PHE 68 6.453 -0.017 6.880 515 HE2 PHE 68 HE1 PHE 68 3.043 2.203 5.612 516 HZ PHE 68 HZ PHE 68 5.401 1.562 5.311 517 HB2 PHE 68 2HB PHE 68 1.738 0.214 9.591 518 HB3 PHE 68 1HB PHE 68 3.206 -0.470 10.271 519 H ASN 69 H ASN 69 -0.299 -0.853 9.146 520 HA ASN 69 HA ASN 69 -0.848 -1.547 6.331 521 HB2 ASN 69 2HB ASN 69 -2.834 -1.707 8.618 522 HB3 ASN 69 1HB ASN 69 -3.195 -2.000 6.922 523 HD21 ASN 69 1HD2 ASN 69 -0.605 -3.420 6.556 524 HD22 ASN 69 2HD2 ASN 69 -0.851 -4.966 7.275 525 H LEU 70 H LEU 70 -2.396 -0.186 5.281 526 HA LEU 70 HA LEU 70 -2.943 2.397 6.598 527 HG LEU 70 HG LEU 70 -3.903 3.861 4.002 528 HB2 LEU 70 2HB LEU 70 -1.257 2.613 4.789 529 HB3 LEU 70 1HB LEU 70 -2.401 1.922 3.655 530 HD11 LEU 70 1HD1 LEU 70 -1.652 4.937 5.703 531 HD12 LEU 70 2HD1 LEU 70 -3.257 4.466 6.266 532 HD13 LEU 70 3HD1 LEU 70 -3.073 5.843 5.180 533 HD21 LEU 70 3HD2 LEU 70 -2.316 3.873 2.151 534 HD22 LEU 70 1HD2 LEU 70 -1.085 4.589 3.193 535 HD23 LEU 70 2HD2 LEU 70 -2.543 5.500 2.794 536 H LYS 71 H LYS 71 -5.060 2.919 6.728 537 HA LYS 71 HA LYS 71 -6.976 1.280 5.180 538 HB2 LYS 71 2HB LYS 71 -7.190 2.313 8.012 539 HB3 LYS 71 1HB LYS 71 -8.535 1.602 7.131 540 HG2 LYS 71 2HG LYS 71 -7.258 -0.497 6.916 541 HG3 LYS 71 1HG LYS 71 -5.956 0.222 7.869 542 HD2 LYS 71 2HD LYS 71 -7.429 0.456 9.782 543 HD3 LYS 71 1HD LYS 71 -8.804 -0.115 8.834 544 HE2 LYS 71 2HE LYS 71 -7.681 -2.296 8.561 545 HE3 LYS 71 1HE LYS 71 -6.347 -1.717 9.560 546 HZ1 LYS 71 3HZ LYS 71 -7.854 -1.477 11.408 547 HZ2 LYS 71 1HZ LYS 71 -7.937 -3.058 10.812 548 HZ3 LYS 71 2HZ LYS 71 -9.166 -1.957 10.454 549 H ALA 72 H ALA 72 -8.666 2.253 4.182 550 HA ALA 72 HA ALA 72 -8.716 5.109 3.902 551 HB1 ALA 72 3HB ALA 72 -9.351 3.583 2.072 552 HB2 ALA 72 1HB ALA 72 -10.621 4.749 2.443 553 HB3 ALA 72 2HB ALA 72 -10.764 3.084 3.000 554 H ALA 73 H ALA 73 -11.098 6.140 4.079 555 HA ALA 73 HA ALA 73 -11.606 6.608 6.754 556 HB1 ALA 73 3HB ALA 73 -13.588 6.854 4.492 557 HB2 ALA 73 1HB ALA 73 -12.367 8.051 4.923 558 HB3 ALA 73 2HB ALA 73 -13.673 7.679 6.049 559 H ASN 74 H ASN 74 -13.301 4.305 4.629 560 HA ASN 74 HA ASN 74 -15.089 3.425 6.707 561 HB2 ASN 74 2HB ASN 74 -15.684 3.448 4.282 562 HB3 ASN 74 1HB ASN 74 -14.540 2.135 4.024 563 HD21 ASN 74 1HD2 ASN 74 -16.164 0.757 3.305 564 HD22 ASN 74 2HD2 ASN 74 -17.319 0.056 4.380 565 H HIS 75 H HIS 75 -11.955 2.977 6.661 566 HA HIS 75 HA HIS 75 -10.631 1.674 7.996 567 HD1 HIS 75 HD1 HIS 75 -14.534 2.182 9.287 568 HD2 HIS 75 HD2 HIS 75 -10.900 1.772 11.268 569 HE1 HIS 75 HE1 HIS 75 -14.619 3.811 11.191 570 HE2 HIS 75 HE2 HIS 75 -12.373 3.627 12.305 571 HB2 HIS 75 2HB HIS 75 -13.170 0.121 8.556 572 HB3 HIS 75 1HB HIS 75 -11.630 -0.163 9.356 573 H GLN 76 H GLN 76 -11.673 0.926 5.130 574 HA GLN 76 HA GLN 76 -11.190 -1.892 4.922 575 HB2 GLN 76 2HB GLN 76 -11.470 -1.554 2.532 576 HB3 GLN 76 1HB GLN 76 -12.717 -0.681 3.412 577 HG2 GLN 76 2HG GLN 76 -11.108 1.342 3.192 578 HG3 GLN 76 1HG GLN 76 -10.361 0.392 1.910 579 HE21 GLN 76 1HE2 GLN 76 -13.111 2.218 2.885 580 HE22 GLN 76 2HE2 GLN 76 -13.917 2.230 1.354 581 H ILE 77 H ILE 77 -9.398 -2.959 4.116 582 HA ILE 77 HA ILE 77 -6.857 -1.708 4.506 583 HB ILE 77 HB ILE 77 -7.583 -4.439 3.424 584 HG12 ILE 77 2HG1 ILE 77 -8.154 -4.034 5.801 585 HG13 ILE 77 1HG1 ILE 77 -6.892 -5.248 5.623 586 HG21 ILE 77 1HG2 ILE 77 -5.222 -5.049 3.751 587 HG22 ILE 77 2HG2 ILE 77 -4.849 -3.372 4.153 588 HG23 ILE 77 3HG2 ILE 77 -5.410 -3.787 2.533 589 HD11 ILE 77 3HD1 ILE 77 -6.463 -2.363 6.374 590 HD12 ILE 77 1HD1 ILE 77 -5.206 -3.588 6.216 591 HD13 ILE 77 2HD1 ILE 77 -6.432 -3.742 7.475 592 H ILE 78 H ILE 78 -6.136 -0.255 3.070 593 HA ILE 78 HA ILE 78 -6.274 -0.918 0.193 594 HB ILE 78 HB ILE 78 -5.822 1.476 -0.240 595 HG12 ILE 78 2HG1 ILE 78 -6.111 1.777 2.766 596 HG13 ILE 78 1HG1 ILE 78 -4.625 2.006 1.850 597 HG21 ILE 78 1HG2 ILE 78 -8.039 2.319 0.422 598 HG22 ILE 78 2HG2 ILE 78 -8.220 0.952 1.523 599 HG23 ILE 78 3HG2 ILE 78 -8.120 0.676 -0.217 600 HD11 ILE 78 3HD1 ILE 78 -5.604 4.132 2.423 601 HD12 ILE 78 1HD1 ILE 78 -7.122 3.676 1.647 602 HD13 ILE 78 2HD1 ILE 78 -5.665 3.895 0.676 603 H GLY 79 H GLY 79 -4.145 -0.615 2.862 604 HA2 GLY 79 2HA GLY 79 -1.889 -1.174 1.060 605 HA3 GLY 79 1HA GLY 79 -1.733 0.161 2.187 606 H THR 80 H THR 80 -0.605 -2.756 1.775 607 HA THR 80 HA THR 80 -0.251 -3.161 4.672 608 HB THR 80 HB THR 80 -0.820 -5.381 2.677 609 HG1 THR 80 HG1 THR 80 -2.732 -4.547 3.427 610 HG21 THR 80 3HG2 THR 80 0.942 -6.099 4.204 611 HG22 THR 80 1HG2 THR 80 -0.568 -6.923 4.596 612 HG23 THR 80 2HG2 THR 80 -0.014 -5.574 5.590 613 H SER 81 H SER 81 1.871 -3.140 5.167 614 HA SER 81 HA SER 81 3.813 -2.900 3.062 615 HG SER 81 HG SER 81 5.004 -3.857 6.423 616 HB2 SER 81 2HB SER 81 5.404 -2.425 4.828 617 HB3 SER 81 1HB SER 81 3.898 -1.581 5.184 618 H GLN 82 H GLN 82 5.959 -4.050 3.248 619 HA GLN 82 HA GLN 82 5.618 -6.895 3.242 620 HB2 GLN 82 2HB GLN 82 8.010 -7.015 2.747 621 HB3 GLN 82 1HB GLN 82 7.221 -5.835 1.714 622 HG2 GLN 82 2HG GLN 82 8.523 -4.882 4.225 623 HG3 GLN 82 1HG GLN 82 9.542 -5.340 2.863 624 HE21 GLN 82 1HE2 GLN 82 10.257 -3.200 2.627 625 HE22 GLN 82 2HE2 GLN 82 9.249 -1.984 1.925 626 H MET 83 H MET 83 7.370 -8.245 4.472 627 HA MET 83 HA MET 83 6.919 -7.755 7.284 628 HB2 MET 83 2HB MET 83 8.037 -9.960 7.603 629 HB3 MET 83 1HB MET 83 6.649 -10.015 6.528 630 HG2 MET 83 2HG MET 83 9.520 -9.927 5.613 631 HG3 MET 83 1HG MET 83 8.556 -11.394 5.769 632 HE1 MET 83 3HE MET 83 9.166 -11.982 3.243 633 HE2 MET 83 1HE MET 83 10.079 -10.482 3.068 634 HE3 MET 83 2HE MET 83 8.846 -10.909 1.880 635 H TYR 84 H TYR 84 8.164 -6.231 8.196 636 HA TYR 84 HA TYR 84 10.974 -5.938 7.538 637 HD1 TYR 84 HD2 TYR 84 11.253 -3.171 6.836 638 HD2 TYR 84 HD1 TYR 84 7.399 -3.851 8.520 639 HE1 TYR 84 HE2 TYR 84 10.254 -1.686 5.148 640 HE2 TYR 84 HE1 TYR 84 6.399 -2.369 6.838 641 HH TYR 84 HH TYR 84 8.008 -1.362 4.074 642 HB2 TYR 84 2HB TYR 84 9.338 -4.566 9.692 643 HB3 TYR 84 1HB TYR 84 10.948 -4.098 9.160 644 H SER 85 H SER 85 12.717 -6.401 8.901 645 HA SER 85 HA SER 85 12.154 -8.307 11.066 646 HG SER 85 HG SER 85 14.262 -9.877 11.317 647 HB2 SER 85 2HB SER 85 13.823 -8.969 9.369 648 HB3 SER 85 1HB SER 85 14.800 -7.561 9.784 649 H SER 86 H SER 86 13.578 -5.156 10.488 650 HA SER 86 HA SER 86 14.041 -4.810 13.377 651 HG SER 86 HG SER 86 15.962 -2.615 10.511 652 HB2 SER 86 2HB SER 86 15.424 -2.845 12.729 653 HB3 SER 86 1HB SER 86 16.016 -4.350 12.026 654 H THR 87 H THR 87 12.933 -3.327 14.536 655 HA THR 87 HA THR 87 10.462 -2.352 13.614 656 HB THR 87 HB THR 87 10.425 -1.001 15.732 657 HG1 THR 87 HG1 THR 87 12.394 -0.518 16.406 658 HG21 THR 87 3HG2 THR 87 11.252 -3.896 16.018 659 HG22 THR 87 1HG2 THR 87 9.617 -3.310 15.708 660 HG23 THR 87 2HG2 THR 87 10.409 -2.943 17.241 661 H ALA 88 H ALA 88 13.594 -0.715 13.991 662 HA ALA 88 HA ALA 88 12.831 1.914 13.498 663 HB1 ALA 88 3HB ALA 88 15.082 1.265 14.215 664 HB2 ALA 88 1HB ALA 88 15.136 2.309 12.795 665 HB3 ALA 88 2HB ALA 88 15.393 0.573 12.625 666 H ALA 89 H ALA 89 13.642 -0.626 11.135 667 HA ALA 89 HA ALA 89 13.431 0.956 8.810 668 HB1 ALA 89 3HB ALA 89 12.929 -2.009 9.097 669 HB2 ALA 89 1HB ALA 89 14.503 -1.254 8.845 670 HB3 ALA 89 2HB ALA 89 13.265 -1.149 7.594 671 H ARG 90 H ARG 90 11.025 -0.665 10.756 672 HA ARG 90 HA ARG 90 8.849 -0.478 8.928 673 HE ARG 90 HE ARG 90 7.284 1.105 12.475 674 HB2 ARG 90 2HB ARG 90 9.051 -2.004 10.950 675 HB3 ARG 90 1HB ARG 90 8.701 -0.610 11.951 676 HG2 ARG 90 2HG ARG 90 6.830 -1.611 9.808 677 HG3 ARG 90 1HG ARG 90 6.771 -2.156 11.482 678 HD2 ARG 90 2HD ARG 90 6.271 0.621 10.417 679 HD3 ARG 90 1HD ARG 90 5.133 -0.444 11.240 680 HH11 ARG 90 1HH1 ARG 90 4.657 -1.101 12.855 681 HH12 ARG 90 2HH1 ARG 90 4.560 -0.845 14.557 682 HH21 ARG 90 1HH2 ARG 90 7.125 1.445 14.633 683 HH22 ARG 90 2HH2 ARG 90 5.951 0.575 15.558 684 H ASP 91 H ASP 91 9.760 1.500 11.781 685 HA ASP 91 HA ASP 91 7.707 3.418 11.435 686 HB2 ASP 91 2HB ASP 91 10.337 3.543 12.921 687 HB3 ASP 91 1HB ASP 91 9.139 4.837 12.970 688 H ASN 92 H ASN 92 11.106 3.414 10.330 689 HA ASN 92 HA ASN 92 11.043 5.879 8.975 690 HB2 ASN 92 2HB ASN 92 12.585 3.349 8.355 691 HB3 ASN 92 1HB ASN 92 12.836 4.871 7.505 692 HD21 ASN 92 1HD2 ASN 92 14.697 3.356 9.125 693 HD22 ASN 92 2HD2 ASN 92 15.210 4.421 10.385 694 H GLY 93 H GLY 93 9.961 2.658 7.997 695 HA2 GLY 93 2HA GLY 93 9.216 3.192 5.346 696 HA3 GLY 93 1HA GLY 93 8.466 1.992 6.385 697 H ILE 94 H ILE 94 7.441 3.723 8.371 698 HA ILE 94 HA ILE 94 5.000 4.611 7.326 699 HB ILE 94 HB ILE 94 6.374 5.710 9.792 700 HG12 ILE 94 2HG1 ILE 94 4.487 3.345 9.585 701 HG13 ILE 94 1HG1 ILE 94 6.233 3.218 9.787 702 HG21 ILE 94 1HG2 ILE 94 4.086 6.165 10.578 703 HG22 ILE 94 2HG2 ILE 94 3.449 5.594 9.036 704 HG23 ILE 94 3HG2 ILE 94 4.456 7.042 9.093 705 HD11 ILE 94 3HD1 ILE 94 4.303 4.471 11.732 706 HD12 ILE 94 1HD1 ILE 94 6.056 4.383 11.938 707 HD13 ILE 94 2HD1 ILE 94 5.095 2.904 11.899 708 H LYS 95 H LYS 95 7.843 6.565 8.288 709 HA LYS 95 HA LYS 95 6.911 9.018 7.284 710 HB2 LYS 95 2HB LYS 95 9.780 8.063 7.482 711 HB3 LYS 95 1HB LYS 95 9.270 9.735 7.285 712 HG2 LYS 95 2HG LYS 95 8.072 9.562 9.469 713 HG3 LYS 95 1HG LYS 95 8.770 7.954 9.671 714 HD2 LYS 95 2HD LYS 95 10.122 9.533 10.891 715 HD3 LYS 95 1HD LYS 95 11.040 8.975 9.491 716 HE2 LYS 95 2HE LYS 95 10.495 11.019 8.287 717 HE3 LYS 95 1HE LYS 95 9.490 11.567 9.628 718 HZ1 LYS 95 3HZ LYS 95 11.513 11.538 11.025 719 HZ2 LYS 95 1HZ LYS 95 11.603 12.644 9.749 720 HZ3 LYS 95 2HZ LYS 95 12.429 11.174 9.655 721 H SER 96 H SER 96 8.630 6.385 5.686 722 HA SER 96 HA SER 96 9.199 7.636 3.245 723 HG SER 96 HG SER 96 10.598 6.083 4.613 724 HB2 SER 96 2HB SER 96 8.601 4.718 3.813 725 HB3 SER 96 1HB SER 96 9.257 5.322 2.291 726 H VAL 97 H VAL 97 6.295 5.702 4.140 727 HA VAL 97 HA VAL 97 5.080 6.059 1.588 728 HB VAL 97 HB VAL 97 4.435 4.166 2.951 729 HG11 VAL 97 1HG1 VAL 97 3.234 6.165 4.864 730 HG12 VAL 97 2HG1 VAL 97 4.614 5.110 5.170 731 HG13 VAL 97 3HG1 VAL 97 3.010 4.417 4.933 732 HG21 VAL 97 3HG2 VAL 97 2.831 4.972 1.307 733 HG22 VAL 97 1HG2 VAL 97 2.123 6.058 2.505 734 HG23 VAL 97 2HG2 VAL 97 1.995 4.309 2.712 735 H MET 98 H MET 98 4.989 7.991 4.537 736 HA MET 98 HA MET 98 2.814 9.645 3.735 737 HB2 MET 98 2HB MET 98 5.113 10.214 5.619 738 HB3 MET 98 1HB MET 98 3.747 11.296 5.383 739 HG2 MET 98 2HG MET 98 2.255 9.397 6.098 740 HG3 MET 98 1HG MET 98 3.718 8.525 6.557 741 HE1 MET 98 3HE MET 98 5.346 9.289 8.527 742 HE2 MET 98 1HE MET 98 5.164 10.811 9.403 743 HE3 MET 98 2HE MET 98 5.582 10.826 7.690 744 H GLU 99 H GLU 99 6.319 9.864 3.204 745 HA GLU 99 HA GLU 99 6.148 12.406 1.837 746 HB2 GLU 99 2HB GLU 99 8.452 10.445 2.015 747 HB3 GLU 99 1HB GLU 99 8.557 12.099 1.429 748 HG2 GLU 99 2HG GLU 99 7.894 12.915 3.657 749 HG3 GLU 99 1HG GLU 99 7.842 11.250 4.234 750 H ASN 100 H ASN 100 6.289 9.028 0.857 751 HA ASN 100 HA ASN 100 6.638 9.766 -1.956 752 HB2 ASN 100 2HB ASN 100 6.743 7.115 -0.518 753 HB3 ASN 100 1HB ASN 100 6.789 7.246 -2.274 754 HD21 ASN 100 1HD2 ASN 100 8.481 8.032 0.684 755 HD22 ASN 100 2HD2 ASN 100 10.019 8.289 -0.051 756 H GLY 101 H GLY 101 4.227 8.189 0.123 757 HA2 GLY 101 2HA GLY 101 2.566 7.099 -1.830 758 HA3 GLY 101 1HA GLY 101 2.039 7.596 -0.234 759 H LYS 102 H LYS 102 2.956 10.434 -1.044 760 HA LYS 102 HA LYS 102 0.401 11.299 -2.035 761 HB2 LYS 102 2HB LYS 102 1.304 13.562 -1.806 762 HB3 LYS 102 1HB LYS 102 1.615 12.610 -0.362 763 HG2 LYS 102 2HG LYS 102 3.925 12.240 -1.101 764 HG3 LYS 102 1HG LYS 102 3.612 13.199 -2.547 765 HD2 LYS 102 2HD LYS 102 4.683 14.687 -1.083 766 HD3 LYS 102 1HD LYS 102 2.976 15.098 -0.946 767 HE2 LYS 102 2HE LYS 102 4.523 13.355 0.979 768 HE3 LYS 102 1HE LYS 102 4.123 15.048 1.239 769 HZ1 LYS 102 3HZ LYS 102 2.560 13.758 2.418 770 HZ2 LYS 102 1HZ LYS 102 2.250 12.753 1.095 771 HZ3 LYS 102 2HZ LYS 102 1.739 14.366 1.074 772 H THR 103 H THR 103 2.781 9.888 -3.705 773 HA THR 103 HA THR 103 3.163 11.679 -5.914 774 HB THR 103 HB THR 103 4.863 9.998 -5.447 775 HG1 THR 103 HG1 THR 103 5.096 9.230 -7.584 776 HG21 THR 103 3HG2 THR 103 4.479 7.619 -5.821 777 HG22 THR 103 1HG2 THR 103 2.793 7.933 -6.229 778 HG23 THR 103 2HG2 THR 103 3.371 8.218 -4.588 779 H THR 104 H THR 104 2.316 11.579 -7.983 780 HA THR 104 HA THR 104 -0.290 10.205 -8.217 781 HB THR 104 HB THR 104 -0.805 11.883 -9.985 782 HG1 THR 104 HG1 THR 104 0.795 13.037 -10.736 783 HG21 THR 104 3HG2 THR 104 0.002 13.060 -7.318 784 HG22 THR 104 1HG2 THR 104 -1.538 12.281 -7.684 785 HG23 THR 104 2HG2 THR 104 -1.107 13.797 -8.474 786 H THR 105 H THR 105 2.763 9.587 -9.116 787 HA THR 105 HA THR 105 2.460 9.051 -11.921 788 HB THR 105 HB THR 105 4.531 7.919 -10.012 789 HG1 THR 105 HG1 THR 105 5.575 9.760 -10.240 790 HG21 THR 105 3HG2 THR 105 5.882 7.578 -12.035 791 HG22 THR 105 1HG2 THR 105 4.551 8.168 -13.030 792 HG23 THR 105 2HG2 THR 105 4.375 6.668 -12.121 793 H ILE 106 H ILE 106 0.752 7.692 -12.348 794 HA ILE 106 HA ILE 106 0.553 5.125 -10.933 795 HB ILE 106 HB ILE 106 -1.347 6.367 -12.943 796 HG12 ILE 106 2HG1 ILE 106 -1.138 7.614 -10.770 797 HG13 ILE 106 1HG1 ILE 106 -2.747 6.976 -11.075 798 HG21 ILE 106 1HG2 ILE 106 -2.943 4.660 -12.180 799 HG22 ILE 106 2HG2 ILE 106 -1.698 3.960 -11.142 800 HG23 ILE 106 3HG2 ILE 106 -1.507 3.928 -12.897 801 HD11 ILE 106 3HD1 ILE 106 -0.702 5.689 -9.287 802 HD12 ILE 106 1HD1 ILE 106 -2.377 5.182 -9.524 803 HD13 ILE 106 2HD1 ILE 106 -2.024 6.726 -8.748 804 H LYS 107 H LYS 107 1.038 3.209 -11.856 805 HA LYS 107 HA LYS 107 1.458 3.076 -14.779 806 HB2 LYS 107 2HB LYS 107 3.162 1.777 -12.634 807 HB3 LYS 107 1HB LYS 107 3.316 1.474 -14.359 808 HG2 LYS 107 2HG LYS 107 3.922 3.822 -14.716 809 HG3 LYS 107 1HG LYS 107 3.765 4.120 -12.984 810 HD2 LYS 107 2HD LYS 107 6.093 3.833 -13.479 811 HD3 LYS 107 1HD LYS 107 5.546 2.412 -12.591 812 HE2 LYS 107 2HE LYS 107 5.754 2.509 -15.603 813 HE3 LYS 107 1HE LYS 107 7.067 1.971 -14.562 814 HZ1 LYS 107 3HZ LYS 107 5.856 0.088 -15.354 815 HZ2 LYS 107 1HZ LYS 107 4.387 0.723 -14.816 816 HZ3 LYS 107 2HZ LYS 107 5.558 0.239 -13.698 817 H ASP 108 H ASP 108 0.254 1.524 -15.729 818 HA ASP 108 HA ASP 108 -0.934 -0.570 -14.054 819 HB2 ASP 108 2HB ASP 108 -2.450 0.749 -15.469 820 HB3 ASP 108 1HB ASP 108 -1.562 0.245 -16.905 821 H LEU 109 H LEU 109 -0.542 -2.726 -14.326 822 HA LEU 109 HA LEU 109 1.329 -3.548 -16.470 823 HG LEU 109 HG LEU 109 2.341 -2.475 -13.660 824 HB2 LEU 109 2HB LEU 109 1.164 -4.654 -13.655 825 HB3 LEU 109 1HB LEU 109 2.240 -5.229 -14.914 826 HD11 LEU 109 1HD1 LEU 109 4.175 -4.848 -13.287 827 HD12 LEU 109 2HD1 LEU 109 3.023 -4.236 -12.098 828 HD13 LEU 109 3HD1 LEU 109 4.393 -3.241 -12.591 829 HD21 LEU 109 3HD2 LEU 109 3.109 -2.468 -15.980 830 HD22 LEU 109 1HD2 LEU 109 4.204 -3.809 -15.633 831 HD23 LEU 109 2HD2 LEU 109 4.458 -2.239 -14.868 832 H THR 110 H THR 110 -1.730 -3.619 -16.026 833 HA THR 110 HA THR 110 -2.230 -6.517 -16.095 834 HB THR 110 HB THR 110 -4.526 -6.052 -15.672 835 HG1 THR 110 HG1 THR 110 -4.070 -3.247 -15.941 836 HG21 THR 110 3HG2 THR 110 -4.464 -4.607 -13.660 837 HG22 THR 110 1HG2 THR 110 -2.838 -4.096 -14.099 838 HG23 THR 110 2HG2 THR 110 -3.152 -5.784 -13.688 839 H LEU 111 H LEU 111 -2.694 -3.598 -18.020 840 HA LEU 111 HA LEU 111 -3.819 -4.997 -20.284 841 HG LEU 111 HG LEU 111 -4.603 -2.467 -18.528 842 HB2 LEU 111 2HB LEU 111 -2.696 -2.192 -20.103 843 HB3 LEU 111 1HB LEU 111 -3.700 -2.825 -21.396 844 HD11 LEU 111 1HD1 LEU 111 -5.942 -0.603 -19.387 845 HD12 LEU 111 2HD1 LEU 111 -5.197 -0.800 -20.974 846 HD13 LEU 111 3HD1 LEU 111 -4.215 -0.314 -19.591 847 HD21 LEU 111 3HD2 LEU 111 -6.126 -3.247 -21.021 848 HD22 LEU 111 1HD2 LEU 111 -6.852 -2.892 -19.452 849 HD23 LEU 111 2HD2 LEU 111 -5.781 -4.279 -19.632 850 H GLU 112 H GLU 112 -0.692 -3.664 -19.352 851 HA GLU 112 HA GLU 112 0.560 -4.914 -21.717 852 HB2 GLU 112 2HB GLU 112 2.393 -3.340 -21.452 853 HB3 GLU 112 1HB GLU 112 0.869 -2.468 -21.554 854 HG2 GLU 112 2HG GLU 112 0.865 -2.093 -19.174 855 HG3 GLU 112 1HG GLU 112 2.305 -3.093 -18.977 856 H HIS 113 H HIS 113 3.220 -4.956 -20.775 857 HA HIS 113 HA HIS 113 3.198 -6.451 -18.259 858 HD1 HIS 113 HD1 HIS 113 2.791 -9.289 -17.761 859 HD2 HIS 113 HD2 HIS 113 6.478 -9.006 -19.648 860 HE1 HIS 113 HE1 HIS 113 4.270 -10.935 -16.586 861 HE2 HIS 113 HE2 HIS 113 6.448 -10.846 -17.834 862 HB2 HIS 113 2HB HIS 113 2.786 -8.078 -20.135 863 HB3 HIS 113 1HB HIS 113 4.366 -7.653 -20.782 864 H HIS 114 H HIS 114 4.511 -3.952 -19.727 865 HA HIS 114 HA HIS 114 7.336 -4.533 -19.430 866 HD1 HIS 114 HD1 HIS 114 4.839 -1.784 -22.046 867 HD2 HIS 114 HD2 HIS 114 8.105 -4.352 -22.111 868 HE1 HIS 114 HE1 HIS 114 4.987 -2.625 -24.407 869 HE2 HIS 114 HE2 HIS 114 7.067 -4.032 -24.459 870 HB2 HIS 114 2HB HIS 114 5.960 -1.871 -19.870 871 HB3 HIS 114 1HB HIS 114 7.688 -2.176 -20.008 872 H HIS 115 H HIS 115 8.344 -4.560 -17.514 873 HA HIS 115 HA HIS 115 7.352 -2.785 -15.366 874 HD1 HIS 115 HD1 HIS 115 6.791 -3.001 -12.836 875 HD2 HIS 115 HD2 HIS 115 9.641 -6.033 -12.797 876 HE1 HIS 115 HE1 HIS 115 7.684 -3.063 -10.496 877 HE2 HIS 115 HE2 HIS 115 9.266 -5.016 -10.451 878 HB2 HIS 115 2HB HIS 115 6.725 -5.061 -14.833 879 HB3 HIS 115 1HB HIS 115 8.363 -5.629 -15.130 880 H HIS 116 H HIS 116 8.808 -1.365 -14.641 881 HA HIS 116 HA HIS 116 11.488 -1.301 -15.564 882 HD1 HIS 116 HD1 HIS 116 12.772 1.714 -15.473 883 HD2 HIS 116 HD2 HIS 116 8.653 1.391 -15.913 884 HE1 HIS 116 HE1 HIS 116 12.168 3.307 -17.308 885 HE2 HIS 116 HE2 HIS 116 9.655 3.301 -17.336 886 HB2 HIS 116 2HB HIS 116 9.885 0.302 -13.622 887 HB3 HIS 116 1HB HIS 116 11.633 0.459 -13.566 888 H HIS 117 H HIS 117 12.675 -3.145 -14.945 889 HA HIS 117 HA HIS 117 13.229 -3.721 -12.194 890 HD1 HIS 117 HD1 HIS 117 14.076 -6.414 -11.679 891 HD2 HIS 117 HD2 HIS 117 17.423 -4.613 -13.360 892 HE1 HIS 117 HE1 HIS 117 16.039 -7.342 -10.425 893 HE2 HIS 117 HE2 HIS 117 18.052 -6.398 -11.600 894 HB2 HIS 117 2HB HIS 117 13.735 -5.281 -14.104 895 HB3 HIS 117 1HB HIS 117 15.019 -4.188 -14.601 896 H HIS 118 H HIS 118 14.348 -1.448 -14.552 897 HA HIS 118 HA HIS 118 15.362 0.278 -12.471 898 HD1 HIS 118 HD1 HIS 118 19.392 -1.621 -13.256 899 HD2 HIS 118 HD2 HIS 118 16.871 0.702 -10.908 900 HE1 HIS 118 HE1 HIS 118 20.430 -1.601 -10.976 901 HE2 HIS 118 HE2 HIS 118 19.001 -0.031 -9.634 902 HB2 HIS 118 2HB HIS 118 17.175 -1.058 -14.398 903 HB3 HIS 118 1HB HIS 118 17.400 0.681 -14.260 Start of MODEL 10 1 HA MET 1 HA MET 1 12.385 10.839 -9.865 2 H1 MET 1 1H MET 1 13.064 12.893 -8.826 3 H2 MET 1 2H MET 1 14.363 12.169 -9.621 4 H3 MET 1 3H MET 1 14.257 12.087 -7.934 5 HB2 MET 1 2HB MET 1 14.413 9.571 -8.006 6 HB3 MET 1 1HB MET 1 13.280 8.696 -9.026 7 HG2 MET 1 2HG MET 1 14.360 9.690 -11.015 8 HG3 MET 1 1HG MET 1 15.536 10.467 -9.955 9 HE1 MET 1 3HE MET 1 17.297 7.302 -8.365 10 HE2 MET 1 1HE MET 1 15.852 8.093 -7.734 11 HE3 MET 1 2HE MET 1 17.194 9.060 -8.347 12 H SER 2 H SER 2 10.397 11.000 -9.028 13 HA SER 2 HA SER 2 9.966 10.917 -6.135 14 HG SER 2 HG SER 2 6.585 12.001 -6.778 15 HB2 SER 2 2HB SER 2 8.759 12.617 -7.470 16 HB3 SER 2 1HB SER 2 7.979 11.336 -8.395 17 H GLY 3 H GLY 3 7.724 9.673 -5.641 18 HA2 GLY 3 2HA GLY 3 8.272 6.876 -6.264 19 HA3 GLY 3 1HA GLY 3 7.104 7.479 -5.097 20 H TRP 4 H TRP 4 6.222 5.446 -6.584 21 HA TRP 4 HA TRP 4 4.055 6.667 -8.037 22 HD1 TRP 4 HD1 TRP 4 4.819 2.965 -10.358 23 HE1 TRP 4 HE1 TRP 4 6.946 1.531 -10.501 24 HE3 TRP 4 HE3 TRP 4 8.260 6.454 -8.897 25 HZ2 TRP 4 HZ2 TRP 4 9.713 1.830 -10.048 26 HZ3 TRP 4 HZ3 TRP 4 10.626 5.796 -8.778 27 HH2 TRP 4 HH2 TRP 4 11.336 3.531 -9.341 28 HB2 TRP 4 2HB TRP 4 4.419 5.579 -10.179 29 HB3 TRP 4 1HB TRP 4 5.800 6.595 -9.784 30 H TYR 5 H TYR 5 2.486 5.047 -8.878 31 HA TYR 5 HA TYR 5 2.400 2.656 -7.142 32 HD1 TYR 5 HD1 TYR 5 0.914 6.302 -7.321 33 HD2 TYR 5 HD2 TYR 5 -0.102 2.792 -5.131 34 HE1 TYR 5 HE1 TYR 5 0.692 7.646 -5.274 35 HE2 TYR 5 HE2 TYR 5 -0.320 4.130 -3.084 36 HH TYR 5 HH TYR 5 -0.282 7.598 -3.129 37 HB2 TYR 5 2HB TYR 5 0.146 4.198 -8.455 38 HB3 TYR 5 1HB TYR 5 -0.063 2.728 -7.510 39 H GLU 6 H GLU 6 2.545 0.699 -8.104 40 HA GLU 6 HA GLU 6 1.888 0.490 -10.977 41 HB2 GLU 6 2HB GLU 6 3.796 -1.057 -9.238 42 HB3 GLU 6 1HB GLU 6 3.196 -1.742 -10.741 43 HG2 GLU 6 2HG GLU 6 4.098 0.183 -11.972 44 HG3 GLU 6 1HG GLU 6 4.720 0.845 -10.460 45 H LEU 7 H LEU 7 -0.082 -0.296 -11.354 46 HA LEU 7 HA LEU 7 -1.355 -2.098 -9.406 47 HG LEU 7 HG LEU 7 -3.705 -2.764 -11.197 48 HB2 LEU 7 2HB LEU 7 -2.660 -0.165 -10.082 49 HB3 LEU 7 1HB LEU 7 -2.465 -0.584 -11.774 50 HD11 LEU 7 1HD1 LEU 7 -4.477 -1.133 -8.781 51 HD12 LEU 7 2HD1 LEU 7 -3.538 -2.627 -8.779 52 HD13 LEU 7 3HD1 LEU 7 -5.225 -2.648 -9.290 53 HD21 LEU 7 3HD2 LEU 7 -5.173 -0.135 -11.088 54 HD22 LEU 7 1HD2 LEU 7 -5.877 -1.703 -11.484 55 HD23 LEU 7 2HD2 LEU 7 -4.662 -0.992 -12.545 56 H SER 8 H SER 8 -1.432 -4.251 -9.774 57 HA SER 8 HA SER 8 -1.058 -5.194 -12.553 58 HG SER 8 HG SER 8 -0.184 -5.874 -9.147 59 HB2 SER 8 2HB SER 8 0.188 -7.119 -11.680 60 HB3 SER 8 1HB SER 8 0.946 -5.611 -11.170 61 H LYS 9 H LYS 9 -1.963 -7.271 -13.093 62 HA LYS 9 HA LYS 9 -4.458 -7.840 -11.645 63 HB2 LYS 9 2HB LYS 9 -4.751 -7.377 -14.000 64 HB3 LYS 9 1HB LYS 9 -3.529 -8.565 -14.434 65 HG2 LYS 9 2HG LYS 9 -4.989 -10.353 -13.559 66 HG3 LYS 9 1HG LYS 9 -6.220 -9.144 -13.193 67 HD2 LYS 9 2HD LYS 9 -5.109 -9.669 -15.955 68 HD3 LYS 9 1HD LYS 9 -6.603 -10.371 -15.331 69 HE2 LYS 9 2HE LYS 9 -6.083 -7.403 -15.555 70 HE3 LYS 9 1HE LYS 9 -6.941 -8.356 -16.764 71 HZ1 LYS 9 3HZ LYS 9 -8.421 -7.193 -15.200 72 HZ2 LYS 9 1HZ LYS 9 -7.789 -8.109 -13.924 73 HZ3 LYS 9 2HZ LYS 9 -8.637 -8.865 -15.175 74 H SER 10 H SER 10 -4.676 -9.630 -10.451 75 HA SER 10 HA SER 10 -2.556 -11.613 -10.345 76 HG SER 10 HG SER 10 -3.276 -12.825 -7.559 77 HB2 SER 10 2HB SER 10 -3.544 -10.870 -8.247 78 HB3 SER 10 1HB SER 10 -5.147 -11.361 -8.789 79 H SER 11 H SER 11 -3.500 -14.010 -9.970 80 HA SER 11 HA SER 11 -4.376 -14.914 -12.513 81 HG SER 11 HG SER 11 -5.009 -17.347 -9.519 82 HB2 SER 11 2HB SER 11 -4.464 -17.141 -11.517 83 HB3 SER 11 1HB SER 11 -3.019 -16.299 -10.959 84 H ASN 12 H ASN 12 -6.100 -14.230 -9.519 85 HA ASN 12 HA ASN 12 -8.634 -15.254 -10.399 86 HB2 ASN 12 2HB ASN 12 -8.043 -13.205 -8.245 87 HB3 ASN 12 1HB ASN 12 -9.571 -14.050 -8.466 88 HD21 ASN 12 1HD2 ASN 12 -7.987 -14.024 -6.119 89 HD22 ASN 12 2HD2 ASN 12 -7.499 -15.654 -5.809 90 H ASP 13 H ASP 13 -6.953 -12.904 -11.779 91 HA ASP 13 HA ASP 13 -7.407 -11.215 -13.213 92 HB2 ASP 13 2HB ASP 13 -9.486 -12.509 -13.785 93 HB3 ASP 13 1HB ASP 13 -10.345 -11.563 -12.574 94 H GLN 14 H GLN 14 -8.603 -11.196 -9.993 95 HA GLN 14 HA GLN 14 -9.362 -8.568 -9.580 96 HB2 GLN 14 2HB GLN 14 -7.881 -10.415 -7.698 97 HB3 GLN 14 1HB GLN 14 -8.733 -8.953 -7.219 98 HG2 GLN 14 2HG GLN 14 -10.845 -9.907 -7.889 99 HG3 GLN 14 1HG GLN 14 -10.035 -11.339 -8.525 100 HE21 GLN 14 1HE2 GLN 14 -10.980 -9.626 -5.649 101 HE22 GLN 14 2HE2 GLN 14 -10.736 -10.936 -4.553 102 H PHE 15 H PHE 15 -8.212 -6.802 -8.561 103 HA PHE 15 HA PHE 15 -5.563 -6.504 -9.806 104 HD1 PHE 15 HD2 PHE 15 -9.518 -5.417 -9.970 105 HD2 PHE 15 HD1 PHE 15 -6.000 -4.847 -12.303 106 HE1 PHE 15 HE2 PHE 15 -10.798 -5.897 -12.013 107 HE2 PHE 15 HE1 PHE 15 -7.278 -5.333 -14.347 108 HZ PHE 15 HZ PHE 15 -9.679 -5.859 -14.202 109 HB2 PHE 15 2HB PHE 15 -7.542 -4.349 -9.028 110 HB3 PHE 15 1HB PHE 15 -6.079 -4.143 -9.991 111 H LYS 16 H LYS 16 -3.826 -5.859 -8.681 112 HA LYS 16 HA LYS 16 -4.131 -4.888 -5.925 113 HB2 LYS 16 2HB LYS 16 -2.259 -6.369 -5.210 114 HB3 LYS 16 1HB LYS 16 -3.702 -7.255 -5.681 115 HG2 LYS 16 2HG LYS 16 -2.686 -7.726 -7.874 116 HG3 LYS 16 1HG LYS 16 -1.227 -6.871 -7.368 117 HD2 LYS 16 2HD LYS 16 -0.941 -8.497 -5.529 118 HD3 LYS 16 1HD LYS 16 -2.370 -9.365 -6.094 119 HE2 LYS 16 2HE LYS 16 -1.244 -9.768 -8.254 120 HE3 LYS 16 1HE LYS 16 0.191 -8.943 -7.643 121 HZ1 LYS 16 3HZ LYS 16 0.434 -11.321 -7.441 122 HZ2 LYS 16 1HZ LYS 16 -0.994 -11.431 -6.543 123 HZ3 LYS 16 2HZ LYS 16 0.348 -10.631 -5.900 124 H PHE 17 H PHE 17 -2.949 -3.076 -5.617 125 HA PHE 17 HA PHE 17 -0.818 -2.495 -7.568 126 HD1 PHE 17 HD1 PHE 17 -1.164 0.594 -4.673 127 HD2 PHE 17 HD2 PHE 17 -4.615 -1.176 -6.444 128 HE1 PHE 17 HE1 PHE 17 -2.540 1.411 -2.806 129 HE2 PHE 17 HE2 PHE 17 -5.992 -0.362 -4.575 130 HZ PHE 17 HZ PHE 17 -4.956 0.935 -2.754 131 HB2 PHE 17 2HB PHE 17 -1.177 -0.098 -7.020 132 HB3 PHE 17 1HB PHE 17 -2.589 -0.873 -7.724 133 H VAL 18 H VAL 18 1.117 -1.511 -6.906 134 HA VAL 18 HA VAL 18 1.756 -1.825 -4.038 135 HB VAL 18 HB VAL 18 4.054 -2.427 -4.673 136 HG11 VAL 18 1HG1 VAL 18 2.468 -4.223 -4.274 137 HG12 VAL 18 2HG1 VAL 18 3.587 -4.681 -5.560 138 HG13 VAL 18 3HG1 VAL 18 1.946 -4.169 -5.960 139 HG21 VAL 18 3HG2 VAL 18 4.601 -2.985 -7.014 140 HG22 VAL 18 1HG2 VAL 18 4.215 -1.274 -6.815 141 HG23 VAL 18 2HG2 VAL 18 3.026 -2.371 -7.518 142 H LEU 19 H LEU 19 2.691 -0.138 -3.022 143 HA LEU 19 HA LEU 19 3.226 2.307 -4.525 144 HG LEU 19 HG LEU 19 4.705 3.615 -1.896 145 HB2 LEU 19 2HB LEU 19 1.938 2.532 -2.492 146 HB3 LEU 19 1HB LEU 19 3.184 1.727 -1.559 147 HD11 LEU 19 1HD1 LEU 19 3.980 4.341 -4.100 148 HD12 LEU 19 2HD1 LEU 19 3.931 5.684 -2.959 149 HD13 LEU 19 3HD1 LEU 19 2.436 4.880 -3.436 150 HD21 LEU 19 3HD2 LEU 19 3.217 3.647 0.035 151 HD22 LEU 19 1HD2 LEU 19 1.982 4.477 -0.913 152 HD23 LEU 19 2HD2 LEU 19 3.513 5.280 -0.560 153 H LYS 20 H LYS 20 5.189 2.758 -5.273 154 HA LYS 20 HA LYS 20 7.528 1.495 -3.980 155 HB2 LYS 20 2HB LYS 20 7.156 2.255 -6.890 156 HB3 LYS 20 1HB LYS 20 8.608 1.540 -6.199 157 HG2 LYS 20 2HG LYS 20 7.401 -0.491 -5.660 158 HG3 LYS 20 1HG LYS 20 5.891 0.228 -6.221 159 HD2 LYS 20 2HD LYS 20 6.798 -1.285 -7.899 160 HD3 LYS 20 1HD LYS 20 6.812 0.376 -8.493 161 HE2 LYS 20 2HE LYS 20 9.190 0.553 -7.981 162 HE3 LYS 20 1HE LYS 20 9.183 -1.085 -7.325 163 HZ1 LYS 20 3HZ LYS 20 10.027 -0.929 -9.627 164 HZ2 LYS 20 1HZ LYS 20 8.497 -0.412 -10.134 165 HZ3 LYS 20 2HZ LYS 20 8.692 -1.957 -9.479 166 H ALA 21 H ALA 21 9.270 2.726 -3.457 167 HA ALA 21 HA ALA 21 8.915 5.585 -3.333 168 HB1 ALA 21 3HB ALA 21 11.266 3.875 -2.510 169 HB2 ALA 21 1HB ALA 21 9.921 4.360 -1.476 170 HB3 ALA 21 2HB ALA 21 11.034 5.576 -2.104 171 H GLY 22 H GLY 22 11.082 6.924 -3.798 172 HA2 GLY 22 2HA GLY 22 11.341 7.088 -6.599 173 HA3 GLY 22 1HA GLY 22 12.363 7.910 -5.433 174 H ASN 23 H ASN 23 13.045 5.088 -4.359 175 HA ASN 23 HA ASN 23 15.288 4.604 -6.160 176 HB2 ASN 23 2HB ASN 23 16.093 3.099 -4.396 177 HB3 ASN 23 1HB ASN 23 15.656 4.666 -3.721 178 HD21 ASN 23 1HD2 ASN 23 15.867 2.219 -2.285 179 HD22 ASN 23 2HD2 ASN 23 14.303 1.882 -1.634 180 H GLY 24 H GLY 24 12.149 3.585 -6.044 181 HA2 GLY 24 2HA GLY 24 11.112 2.018 -7.412 182 HA3 GLY 24 1HA GLY 24 12.679 1.321 -7.775 183 H GLU 25 H GLU 25 12.181 1.650 -4.422 184 HA GLU 25 HA GLU 25 11.863 -1.236 -4.157 185 HB2 GLU 25 2HB GLU 25 13.531 -0.024 -2.791 186 HB3 GLU 25 1HB GLU 25 12.236 0.882 -2.022 187 HG2 GLU 25 2HG GLU 25 11.334 -1.183 -1.081 188 HG3 GLU 25 1HG GLU 25 12.600 -2.109 -1.884 189 H VAL 26 H VAL 26 10.098 -2.290 -3.354 190 HA VAL 26 HA VAL 26 7.590 -0.825 -3.269 191 HB VAL 26 HB VAL 26 8.103 -3.788 -2.870 192 HG11 VAL 26 1HG1 VAL 26 5.534 -2.290 -3.416 193 HG12 VAL 26 2HG1 VAL 26 5.971 -3.110 -1.918 194 HG13 VAL 26 3HG1 VAL 26 5.704 -4.045 -3.389 195 HG21 VAL 26 3HG2 VAL 26 8.835 -3.027 -5.080 196 HG22 VAL 26 1HG2 VAL 26 7.252 -2.303 -5.365 197 HG23 VAL 26 2HG2 VAL 26 7.406 -4.052 -5.199 198 H ILE 27 H ILE 27 6.607 -0.124 -1.447 199 HA ILE 27 HA ILE 27 7.487 -1.252 1.140 200 HB ILE 27 HB ILE 27 6.686 0.896 2.166 201 HG12 ILE 27 2HG1 ILE 27 6.566 1.821 -0.723 202 HG13 ILE 27 1HG1 ILE 27 5.180 1.615 0.342 203 HG21 ILE 27 1HG2 ILE 27 9.053 0.458 1.723 204 HG22 ILE 27 2HG2 ILE 27 8.669 2.169 1.544 205 HG23 ILE 27 3HG2 ILE 27 8.887 1.160 0.113 206 HD11 ILE 27 3HD1 ILE 27 6.021 3.395 1.786 207 HD12 ILE 27 1HD1 ILE 27 5.809 3.950 0.126 208 HD13 ILE 27 2HD1 ILE 27 7.424 3.587 0.731 209 H LEU 28 H LEU 28 4.612 -0.296 -0.717 210 HA LEU 28 HA LEU 28 2.958 -1.791 1.232 211 HG LEU 28 HG LEU 28 1.390 1.495 2.024 212 HB2 LEU 28 2HB LEU 28 2.394 0.832 -0.118 213 HB3 LEU 28 1HB LEU 28 1.065 -0.211 0.339 214 HD11 LEU 28 1HD1 LEU 28 0.635 -0.665 2.818 215 HD12 LEU 28 2HD1 LEU 28 1.674 0.101 4.019 216 HD13 LEU 28 3HD1 LEU 28 2.305 -1.204 3.014 217 HD21 LEU 28 3HD2 LEU 28 3.411 1.702 3.329 218 HD22 LEU 28 1HD2 LEU 28 3.758 1.962 1.619 219 HD23 LEU 28 2HD2 LEU 28 4.186 0.432 2.383 220 H THR 29 H THR 29 1.398 -3.154 0.444 221 HA THR 29 HA THR 29 0.847 -3.211 -2.450 222 HB THR 29 HB THR 29 1.443 -5.678 -0.780 223 HG1 THR 29 HG1 THR 29 3.034 -4.048 -2.254 224 HG21 THR 29 3HG2 THR 29 1.226 -6.905 -2.911 225 HG22 THR 29 1HG2 THR 29 0.719 -5.414 -3.709 226 HG23 THR 29 2HG2 THR 29 -0.288 -6.127 -2.446 227 H SER 30 H SER 30 -1.308 -3.434 -2.920 228 HA SER 30 HA SER 30 -3.153 -3.242 -0.698 229 HG SER 30 HG SER 30 -4.512 -4.110 -4.003 230 HB2 SER 30 2HB SER 30 -4.824 -2.703 -2.354 231 HB3 SER 30 1HB SER 30 -3.338 -1.851 -2.774 232 H GLU 31 H GLU 31 -5.357 -4.373 -0.958 233 HA GLU 31 HA GLU 31 -5.013 -7.231 -1.143 234 HB2 GLU 31 2HB GLU 31 -7.391 -7.350 -0.538 235 HB3 GLU 31 1HB GLU 31 -6.508 -6.289 0.550 236 HG2 GLU 31 2HG GLU 31 -7.404 -4.334 -0.552 237 HG3 GLU 31 1HG GLU 31 -8.192 -5.340 -1.767 238 H LEU 32 H LEU 32 -7.226 -8.244 -2.321 239 HA LEU 32 HA LEU 32 -6.704 -7.659 -5.142 240 HG LEU 32 HG LEU 32 -5.708 -10.129 -3.522 241 HB2 LEU 32 2HB LEU 32 -8.137 -9.959 -3.806 242 HB3 LEU 32 1HB LEU 32 -7.935 -9.795 -5.539 243 HD11 LEU 32 1HD1 LEU 32 -6.776 -12.023 -5.618 244 HD12 LEU 32 2HD1 LEU 32 -6.986 -12.177 -3.873 245 HD13 LEU 32 3HD1 LEU 32 -5.377 -12.310 -4.581 246 HD21 LEU 32 3HD2 LEU 32 -4.231 -10.302 -5.474 247 HD22 LEU 32 1HD2 LEU 32 -4.997 -8.717 -5.378 248 HD23 LEU 32 2HD2 LEU 32 -5.585 -9.912 -6.534 249 H TYR 33 H TYR 33 -7.929 -6.010 -5.857 250 HA TYR 33 HA TYR 33 -10.721 -5.717 -5.122 251 HD1 TYR 33 HD2 TYR 33 -7.183 -3.970 -5.384 252 HD2 TYR 33 HD1 TYR 33 -11.151 -2.652 -4.571 253 HE1 TYR 33 HE2 TYR 33 -6.354 -2.665 -3.473 254 HE2 TYR 33 HE1 TYR 33 -10.327 -1.342 -2.664 255 HH TYR 33 HH TYR 33 -8.356 -1.414 -1.102 256 HB2 TYR 33 2HB TYR 33 -8.996 -4.170 -7.075 257 HB3 TYR 33 1HB TYR 33 -10.650 -3.745 -6.644 258 H THR 34 H THR 34 -12.506 -6.138 -6.383 259 HA THR 34 HA THR 34 -12.264 -8.046 -8.497 260 HB THR 34 HB THR 34 -14.717 -7.797 -8.748 261 HG1 THR 34 HG1 THR 34 -15.539 -5.935 -8.175 262 HG21 THR 34 3HG2 THR 34 -13.836 -9.300 -7.021 263 HG22 THR 34 1HG2 THR 34 -15.339 -8.543 -6.489 264 HG23 THR 34 2HG2 THR 34 -13.793 -7.962 -5.872 265 H GLY 35 H GLY 35 -13.251 -4.615 -8.469 266 HA2 GLY 35 2HA GLY 35 -12.986 -4.544 -11.414 267 HA3 GLY 35 1HA GLY 35 -13.891 -3.390 -10.447 268 H LYS 36 H LYS 36 -11.624 -3.102 -12.460 269 HA LYS 36 HA LYS 36 -9.276 -2.390 -11.028 270 HB2 LYS 36 2HB LYS 36 -9.203 -3.028 -13.399 271 HB3 LYS 36 1HB LYS 36 -10.093 -1.570 -13.825 272 HG2 LYS 36 2HG LYS 36 -8.295 -0.168 -13.295 273 HG3 LYS 36 1HG LYS 36 -7.488 -1.412 -12.345 274 HD2 LYS 36 2HD LYS 36 -6.285 -1.120 -14.400 275 HD3 LYS 36 1HD LYS 36 -7.090 -2.686 -14.447 276 HE2 LYS 36 2HE LYS 36 -8.776 -1.854 -15.925 277 HE3 LYS 36 1HE LYS 36 -8.211 -0.194 -15.724 278 HZ1 LYS 36 3HZ LYS 36 -6.165 -0.764 -16.819 279 HZ2 LYS 36 1HZ LYS 36 -7.463 -1.199 -17.813 280 HZ3 LYS 36 2HZ LYS 36 -6.625 -2.387 -16.948 281 H SER 37 H SER 37 -12.023 -0.459 -12.171 282 HA SER 37 HA SER 37 -10.950 2.084 -11.644 283 HG SER 37 HG SER 37 -14.248 3.442 -11.770 284 HB2 SER 37 2HB SER 37 -13.067 1.730 -12.895 285 HB3 SER 37 1HB SER 37 -13.859 1.266 -11.387 286 H GLY 38 H GLY 38 -12.781 -0.112 -9.513 287 HA2 GLY 38 2HA GLY 38 -12.749 1.467 -7.185 288 HA3 GLY 38 1HA GLY 38 -12.843 -0.285 -7.222 289 H ALA 39 H ALA 39 -10.368 -0.859 -8.417 290 HA ALA 39 HA ALA 39 -8.552 -0.746 -6.274 291 HB1 ALA 39 3HB ALA 39 -8.442 -2.442 -8.042 292 HB2 ALA 39 1HB ALA 39 -6.897 -1.610 -7.853 293 HB3 ALA 39 2HB ALA 39 -7.960 -1.205 -9.203 294 H MET 40 H MET 40 -8.670 1.186 -9.283 295 HA MET 40 HA MET 40 -6.450 2.824 -8.708 296 HB2 MET 40 2HB MET 40 -8.891 3.399 -10.408 297 HB3 MET 40 1HB MET 40 -7.454 4.416 -10.361 298 HG2 MET 40 2HG MET 40 -6.115 2.463 -11.127 299 HG3 MET 40 1HG MET 40 -7.617 1.558 -11.304 300 HE1 MET 40 3HE MET 40 -9.506 2.153 -13.056 301 HE2 MET 40 1HE MET 40 -9.433 3.531 -14.154 302 HE3 MET 40 2HE MET 40 -9.616 3.795 -12.419 303 H ASN 41 H ASN 41 -9.913 3.285 -8.032 304 HA ASN 41 HA ASN 41 -9.816 5.739 -6.726 305 HB2 ASN 41 2HB ASN 41 -11.894 4.426 -7.270 306 HB3 ASN 41 1HB ASN 41 -11.528 3.369 -5.910 307 HD21 ASN 41 1HD2 ASN 41 -13.369 3.892 -4.775 308 HD22 ASN 41 2HD2 ASN 41 -13.620 5.444 -4.055 309 H GLY 42 H GLY 42 -9.132 2.487 -5.484 310 HA2 GLY 42 2HA GLY 42 -8.478 3.181 -2.832 311 HA3 GLY 42 1HA GLY 42 -7.873 1.778 -3.701 312 H ILE 43 H ILE 43 -6.522 3.182 -5.793 313 HA ILE 43 HA ILE 43 -3.999 3.654 -4.633 314 HB ILE 43 HB ILE 43 -5.054 4.507 -7.345 315 HG12 ILE 43 2HG1 ILE 43 -3.341 2.137 -6.535 316 HG13 ILE 43 1HG1 ILE 43 -5.048 2.063 -6.959 317 HG21 ILE 43 1HG2 ILE 43 -3.151 5.884 -6.756 318 HG22 ILE 43 2HG2 ILE 43 -2.684 4.728 -8.003 319 HG23 ILE 43 3HG2 ILE 43 -2.213 4.455 -6.324 320 HD11 ILE 43 3HD1 ILE 43 -4.517 2.794 -9.223 321 HD12 ILE 43 1HD1 ILE 43 -3.640 1.326 -8.791 322 HD13 ILE 43 2HD1 ILE 43 -2.806 2.881 -8.796 323 H GLU 44 H GLU 44 -6.400 5.937 -5.934 324 HA GLU 44 HA GLU 44 -4.990 8.279 -5.189 325 HB2 GLU 44 2HB GLU 44 -7.955 7.919 -5.682 326 HB3 GLU 44 1HB GLU 44 -7.098 9.458 -5.647 327 HG2 GLU 44 2HG GLU 44 -5.741 8.714 -7.575 328 HG3 GLU 44 1HG GLU 44 -6.677 7.221 -7.628 329 H SER 45 H SER 45 -7.327 6.250 -3.496 330 HA SER 45 HA SER 45 -7.743 7.857 -1.224 331 HG SER 45 HG SER 45 -9.347 5.556 0.402 332 HB2 SER 45 2HB SER 45 -9.030 5.784 -1.660 333 HB3 SER 45 1HB SER 45 -7.585 4.827 -1.349 334 H VAL 46 H VAL 46 -5.178 5.492 -1.957 335 HA VAL 46 HA VAL 46 -3.696 5.748 0.409 336 HB VAL 46 HB VAL 46 -2.625 5.256 -2.385 337 HG11 VAL 46 1HG1 VAL 46 -1.366 4.679 0.304 338 HG12 VAL 46 2HG1 VAL 46 -0.853 5.922 -0.838 339 HG13 VAL 46 3HG1 VAL 46 -0.705 4.217 -1.264 340 HG21 VAL 46 3HG2 VAL 46 -3.454 3.288 -0.244 341 HG22 VAL 46 1HG2 VAL 46 -2.728 2.879 -1.800 342 HG23 VAL 46 2HG2 VAL 46 -4.327 3.619 -1.741 343 H GLN 47 H GLN 47 -3.477 7.632 -2.632 344 HA GLN 47 HA GLN 47 -1.439 9.398 -1.946 345 HB2 GLN 47 2HB GLN 47 -3.959 10.012 -3.507 346 HB3 GLN 47 1HB GLN 47 -2.515 11.015 -3.490 347 HG2 GLN 47 2HG GLN 47 -1.236 9.253 -4.556 348 HG3 GLN 47 1HG GLN 47 -2.631 8.174 -4.495 349 HE21 GLN 47 1HE2 GLN 47 -1.096 9.180 -6.788 350 HE22 GLN 47 2HE2 GLN 47 -2.256 9.931 -7.825 351 H THR 48 H THR 48 -4.842 9.466 -1.030 352 HA THR 48 HA THR 48 -4.770 12.005 0.281 353 HB THR 48 HB THR 48 -6.737 9.735 0.688 354 HG1 THR 48 HG1 THR 48 -6.946 12.003 -1.035 355 HG21 THR 48 3HG2 THR 48 -7.013 12.702 1.223 356 HG22 THR 48 1HG2 THR 48 -6.831 11.452 2.454 357 HG23 THR 48 2HG2 THR 48 -8.274 11.486 1.439 358 H ASN 49 H ASN 49 -4.576 8.654 1.448 359 HA ASN 49 HA ASN 49 -4.591 9.467 4.222 360 HB2 ASN 49 2HB ASN 49 -4.254 6.741 2.954 361 HB3 ASN 49 1HB ASN 49 -4.445 7.037 4.681 362 HD21 ASN 49 1HD2 ASN 49 -6.119 5.558 2.764 363 HD22 ASN 49 2HD2 ASN 49 -7.687 6.258 2.885 364 H SER 50 H SER 50 -2.110 8.557 1.916 365 HA SER 50 HA SER 50 -0.117 7.537 3.502 366 HG SER 50 HG SER 50 -0.379 7.543 0.159 367 HB2 SER 50 2HB SER 50 0.171 9.335 1.090 368 HB3 SER 50 1HB SER 50 1.524 8.495 1.846 369 HA PRO 51 HA PRO 51 1.633 11.822 4.738 370 HB2 PRO 51 2HB PRO 51 0.334 14.096 4.173 371 HB3 PRO 51 1HB PRO 51 1.364 13.297 2.978 372 HG2 PRO 51 2HG PRO 51 -1.623 13.217 3.256 373 HG3 PRO 51 1HG PRO 51 -0.646 13.431 1.791 374 HD2 PRO 51 2HD PRO 51 -1.740 11.032 2.537 375 HD3 PRO 51 1HD PRO 51 -0.255 11.173 1.574 376 H ILE 52 H ILE 52 -1.304 10.558 5.444 377 HA ILE 52 HA ILE 52 -1.739 12.303 7.794 378 HB ILE 52 HB ILE 52 -3.805 10.618 6.350 379 HG12 ILE 52 2HG1 ILE 52 -3.463 13.633 6.449 380 HG13 ILE 52 1HG1 ILE 52 -3.128 12.611 5.056 381 HG21 ILE 52 1HG2 ILE 52 -4.110 12.518 8.685 382 HG22 ILE 52 2HG2 ILE 52 -4.264 10.761 8.737 383 HG23 ILE 52 3HG2 ILE 52 -5.434 11.721 7.833 384 HD11 ILE 52 3HD1 ILE 52 -5.253 13.723 4.800 385 HD12 ILE 52 1HD1 ILE 52 -5.818 13.055 6.331 386 HD13 ILE 52 2HD1 ILE 52 -5.500 11.984 4.968 387 H GLU 53 H GLU 53 -0.550 11.218 9.338 388 HA GLU 53 HA GLU 53 -0.282 8.454 9.621 389 HB2 GLU 53 2HB GLU 53 -0.166 10.581 11.769 390 HB3 GLU 53 1HB GLU 53 0.377 8.922 11.979 391 HG2 GLU 53 2HG GLU 53 2.063 9.252 10.231 392 HG3 GLU 53 1HG GLU 53 1.522 10.919 10.028 393 H ALA 54 H ALA 54 -2.920 10.519 10.579 394 HA ALA 54 HA ALA 54 -4.066 8.989 12.631 395 HB1 ALA 54 3HB ALA 54 -4.694 11.305 12.157 396 HB2 ALA 54 1HB ALA 54 -6.107 10.250 12.212 397 HB3 ALA 54 2HB ALA 54 -5.470 10.789 10.658 398 H ARG 55 H ARG 55 -3.740 8.086 9.403 399 HA ARG 55 HA ARG 55 -6.114 6.337 9.459 400 HE ARG 55 HE ARG 55 -8.509 7.621 6.262 401 HB2 ARG 55 2HB ARG 55 -4.233 6.855 7.141 402 HB3 ARG 55 1HB ARG 55 -5.802 6.060 7.076 403 HG2 ARG 55 2HG ARG 55 -5.296 8.964 7.725 404 HG3 ARG 55 1HG ARG 55 -5.946 8.325 6.215 405 HD2 ARG 55 2HD ARG 55 -7.273 7.983 8.909 406 HD3 ARG 55 1HD ARG 55 -7.661 9.272 7.774 407 HH11 ARG 55 1HH1 ARG 55 -7.781 6.414 9.406 408 HH12 ARG 55 2HH1 ARG 55 -8.828 5.050 9.248 409 HH21 ARG 55 1HH2 ARG 55 -9.870 5.897 6.083 410 HH22 ARG 55 2HH2 ARG 55 -10.006 4.769 7.386 411 H TYR 56 H TYR 56 -3.490 5.998 10.927 412 HA TYR 56 HA TYR 56 -1.906 4.004 9.709 413 HD1 TYR 56 HD2 TYR 56 -2.832 6.745 12.813 414 HD2 TYR 56 HD1 TYR 56 -1.928 2.677 13.690 415 HE1 TYR 56 HE2 TYR 56 -4.000 6.955 14.959 416 HE2 TYR 56 HE1 TYR 56 -3.099 2.880 15.840 417 HH TYR 56 HH TYR 56 -5.017 5.657 16.640 418 HB2 TYR 56 2HB TYR 56 -0.794 3.829 11.862 419 HB3 TYR 56 1HB TYR 56 -1.128 5.523 11.519 420 H ALA 57 H ALA 57 -1.450 1.871 10.590 421 HA ALA 57 HA ALA 57 -3.205 0.570 12.439 422 HB1 ALA 57 3HB ALA 57 -4.618 0.396 10.450 423 HB2 ALA 57 1HB ALA 57 -4.020 -1.192 10.929 424 HB3 ALA 57 2HB ALA 57 -3.293 -0.352 9.559 425 H LYS 58 H LYS 58 -1.433 -0.129 13.617 426 HA LYS 58 HA LYS 58 0.678 -1.596 12.175 427 HB2 LYS 58 2HB LYS 58 0.756 -0.405 14.956 428 HB3 LYS 58 1HB LYS 58 2.076 -1.274 14.188 429 HG2 LYS 58 2HG LYS 58 2.690 0.916 13.839 430 HG3 LYS 58 1HG LYS 58 1.856 0.538 12.334 431 HD2 LYS 58 2HD LYS 58 0.981 2.615 12.905 432 HD3 LYS 58 1HD LYS 58 -0.240 1.500 13.516 433 HE2 LYS 58 2HE LYS 58 1.932 2.849 15.131 434 HE3 LYS 58 1HE LYS 58 0.223 3.265 15.137 435 HZ1 LYS 58 3HZ LYS 58 1.478 0.780 16.161 436 HZ2 LYS 58 1HZ LYS 58 -0.194 0.971 15.977 437 HZ3 LYS 58 2HZ LYS 58 0.657 1.964 17.044 438 H GLU 59 H GLU 59 1.261 -3.636 12.682 439 HA GLU 59 HA GLU 59 -0.058 -5.055 14.883 440 HB2 GLU 59 2HB GLU 59 -1.547 -5.491 13.037 441 HB3 GLU 59 1HB GLU 59 -0.201 -5.843 11.964 442 HG2 GLU 59 2HG GLU 59 -1.201 -7.913 12.517 443 HG3 GLU 59 1HG GLU 59 0.321 -7.832 13.396 444 H VAL 60 H VAL 60 1.131 -6.822 15.664 445 HA VAL 60 HA VAL 60 3.827 -7.159 14.491 446 HB VAL 60 HB VAL 60 2.960 -7.724 17.339 447 HG11 VAL 60 1HG1 VAL 60 4.783 -9.176 16.604 448 HG12 VAL 60 2HG1 VAL 60 5.359 -8.003 17.790 449 HG13 VAL 60 3HG1 VAL 60 5.706 -7.769 16.075 450 HG21 VAL 60 3HG2 VAL 60 4.305 -5.757 17.948 451 HG22 VAL 60 1HG2 VAL 60 2.968 -5.323 16.884 452 HG23 VAL 60 2HG2 VAL 60 4.606 -5.436 16.240 453 H ALA 61 H ALA 61 3.941 -8.975 13.294 454 HA ALA 61 HA ALA 61 2.205 -11.185 13.497 455 HB1 ALA 61 3HB ALA 61 3.490 -10.674 11.472 456 HB2 ALA 61 1HB ALA 61 3.766 -12.332 12.007 457 HB3 ALA 61 2HB ALA 61 4.984 -11.091 12.312 458 H LYS 62 H LYS 62 2.384 -13.169 14.542 459 HA LYS 62 HA LYS 62 3.675 -13.171 17.038 460 HB2 LYS 62 2HB LYS 62 2.933 -15.494 17.256 461 HB3 LYS 62 1HB LYS 62 1.654 -14.458 16.642 462 HG2 LYS 62 2HG LYS 62 2.192 -15.289 14.341 463 HG3 LYS 62 1HG LYS 62 3.305 -16.442 15.086 464 HD2 LYS 62 2HD LYS 62 1.391 -17.312 16.443 465 HD3 LYS 62 1HD LYS 62 0.318 -16.250 15.531 466 HE2 LYS 62 2HE LYS 62 0.175 -18.418 14.555 467 HE3 LYS 62 1HE LYS 62 1.097 -17.408 13.444 468 HZ1 LYS 62 3HZ LYS 62 3.129 -18.385 14.271 469 HZ2 LYS 62 1HZ LYS 62 2.086 -19.600 13.732 470 HZ3 LYS 62 2HZ LYS 62 2.273 -19.319 15.389 471 H ASN 63 H ASN 63 5.066 -13.695 14.047 472 HA ASN 63 HA ASN 63 7.224 -15.415 14.893 473 HB2 ASN 63 2HB ASN 63 7.110 -13.571 12.490 474 HB3 ASN 63 1HB ASN 63 8.206 -14.928 12.725 475 HD21 ASN 63 1HD2 ASN 63 7.545 -15.953 10.863 476 HD22 ASN 63 2HD2 ASN 63 5.994 -16.690 10.701 477 H ASP 64 H ASP 64 6.517 -12.640 16.155 478 HA ASP 64 HA ASP 64 7.560 -10.900 17.154 479 HB2 ASP 64 2HB ASP 64 10.062 -12.521 16.604 480 HB3 ASP 64 1HB ASP 64 9.972 -11.132 17.685 481 H LYS 65 H LYS 65 6.893 -10.653 14.479 482 HA LYS 65 HA LYS 65 8.965 -8.828 13.441 483 HB2 LYS 65 2HB LYS 65 7.386 -10.909 11.912 484 HB3 LYS 65 1HB LYS 65 8.299 -9.621 11.133 485 HG2 LYS 65 2HG LYS 65 10.359 -10.477 11.866 486 HG3 LYS 65 1HG LYS 65 9.599 -11.513 13.073 487 HD2 LYS 65 2HD LYS 65 8.705 -12.949 11.341 488 HD3 LYS 65 1HD LYS 65 9.307 -11.871 10.082 489 HE2 LYS 65 2HE LYS 65 10.754 -13.835 10.371 490 HE3 LYS 65 1HE LYS 65 11.605 -12.339 10.752 491 HZ1 LYS 65 3HZ LYS 65 12.134 -13.946 12.405 492 HZ2 LYS 65 1HZ LYS 65 10.508 -14.313 12.681 493 HZ3 LYS 65 2HZ LYS 65 11.125 -12.803 13.131 494 HA PRO 66 HA PRO 66 5.165 -6.350 13.572 495 HB2 PRO 66 2HB PRO 66 6.327 -3.954 13.841 496 HB3 PRO 66 1HB PRO 66 6.300 -5.116 15.174 497 HG2 PRO 66 2HG PRO 66 8.521 -4.487 13.257 498 HG3 PRO 66 1HG PRO 66 8.597 -4.726 15.013 499 HD2 PRO 66 2HD PRO 66 9.222 -6.664 13.157 500 HD3 PRO 66 1HD PRO 66 8.681 -7.008 14.814 501 H TYR 67 H TYR 67 4.048 -5.094 12.118 502 HA TYR 67 HA TYR 67 5.368 -3.798 9.892 503 HD1 TYR 67 HD2 TYR 67 3.979 -7.602 10.734 504 HD2 TYR 67 HD1 TYR 67 1.709 -5.188 8.056 505 HE1 TYR 67 HE2 TYR 67 2.005 -9.013 11.143 506 HE2 TYR 67 HE1 TYR 67 -0.267 -6.594 8.458 507 HH TYR 67 HH TYR 67 -0.830 -8.804 9.204 508 HB2 TYR 67 2HB TYR 67 4.067 -4.929 8.152 509 HB3 TYR 67 1HB TYR 67 5.068 -6.080 9.022 510 H PHE 68 H PHE 68 3.384 -2.968 8.346 511 HA PHE 68 HA PHE 68 1.188 -2.049 10.058 512 HD1 PHE 68 HD2 PHE 68 4.951 -0.817 8.823 513 HD2 PHE 68 HD1 PHE 68 1.524 1.183 7.268 514 HE1 PHE 68 HE2 PHE 68 6.291 0.004 6.931 515 HE2 PHE 68 HE1 PHE 68 2.862 2.004 5.374 516 HZ PHE 68 HZ PHE 68 5.247 1.416 5.204 517 HB2 PHE 68 2HB PHE 68 1.479 0.290 9.467 518 HB3 PHE 68 1HB PHE 68 2.939 -0.317 10.238 519 H ASN 69 H ASN 69 -0.614 -1.163 8.935 520 HA ASN 69 HA ASN 69 -0.766 -1.792 6.061 521 HB2 ASN 69 2HB ASN 69 -2.969 -2.193 8.112 522 HB3 ASN 69 1HB ASN 69 -3.081 -2.536 6.391 523 HD21 ASN 69 1HD2 ASN 69 -0.370 -3.673 6.296 524 HD22 ASN 69 2HD2 ASN 69 -0.501 -5.227 7.034 525 H LEU 70 H LEU 70 -2.103 -0.415 4.826 526 HA LEU 70 HA LEU 70 -2.977 2.065 6.165 527 HG LEU 70 HG LEU 70 -3.816 3.577 3.576 528 HB2 LEU 70 2HB LEU 70 -1.191 2.328 4.438 529 HB3 LEU 70 1HB LEU 70 -2.294 1.668 3.244 530 HD11 LEU 70 1HD1 LEU 70 -1.703 4.616 5.470 531 HD12 LEU 70 2HD1 LEU 70 -3.320 4.068 5.912 532 HD13 LEU 70 3HD1 LEU 70 -3.122 5.505 4.912 533 HD21 LEU 70 3HD2 LEU 70 -2.404 5.307 2.560 534 HD22 LEU 70 1HD2 LEU 70 -2.121 3.724 1.836 535 HD23 LEU 70 2HD2 LEU 70 -0.964 4.384 2.994 536 H LYS 71 H LYS 71 -5.094 2.696 5.961 537 HA LYS 71 HA LYS 71 -6.867 0.809 4.529 538 HB2 LYS 71 2HB LYS 71 -7.327 2.090 7.229 539 HB3 LYS 71 1HB LYS 71 -8.479 1.069 6.381 540 HG2 LYS 71 2HG LYS 71 -6.970 -0.827 6.561 541 HG3 LYS 71 1HG LYS 71 -5.759 0.192 7.348 542 HD2 LYS 71 2HD LYS 71 -7.326 0.612 9.197 543 HD3 LYS 71 1HD LYS 71 -8.528 -0.413 8.412 544 HE2 LYS 71 2HE LYS 71 -7.054 -2.343 8.635 545 HE3 LYS 71 1HE LYS 71 -5.806 -1.325 9.354 546 HZ1 LYS 71 3HZ LYS 71 -8.481 -1.898 10.504 547 HZ2 LYS 71 1HZ LYS 71 -7.348 -0.837 11.176 548 HZ3 LYS 71 2HZ LYS 71 -6.999 -2.486 11.064 549 H ALA 72 H ALA 72 -8.784 1.576 3.673 550 HA ALA 72 HA ALA 72 -9.054 4.433 3.211 551 HB1 ALA 72 3HB ALA 72 -10.949 3.822 1.798 552 HB2 ALA 72 1HB ALA 72 -10.850 2.154 2.362 553 HB3 ALA 72 2HB ALA 72 -9.538 2.840 1.402 554 H ALA 73 H ALA 73 -11.570 5.147 3.365 555 HA ALA 73 HA ALA 73 -12.127 5.645 6.015 556 HB1 ALA 73 3HB ALA 73 -14.139 5.497 3.773 557 HB2 ALA 73 1HB ALA 73 -13.115 6.882 4.153 558 HB3 ALA 73 2HB ALA 73 -14.346 6.352 5.302 559 H ASN 74 H ASN 74 -13.367 2.920 4.072 560 HA ASN 74 HA ASN 74 -14.993 1.924 6.262 561 HB2 ASN 74 2HB ASN 74 -15.642 1.690 3.853 562 HB3 ASN 74 1HB ASN 74 -14.310 0.557 3.646 563 HD21 ASN 74 1HD2 ASN 74 -15.632 -1.172 3.133 564 HD22 ASN 74 2HD2 ASN 74 -16.667 -1.929 4.288 565 H HIS 75 H HIS 75 -11.841 2.010 6.143 566 HA HIS 75 HA HIS 75 -10.183 0.959 7.284 567 HD1 HIS 75 HD1 HIS 75 -13.934 0.794 9.534 568 HD2 HIS 75 HD2 HIS 75 -9.925 1.753 10.049 569 HE1 HIS 75 HE1 HIS 75 -13.902 2.688 11.178 570 HE2 HIS 75 HE2 HIS 75 -11.486 3.374 11.316 571 HB2 HIS 75 2HB HIS 75 -12.439 -0.777 8.317 572 HB3 HIS 75 1HB HIS 75 -10.784 -0.854 8.912 573 H GLN 76 H GLN 76 -11.435 -0.144 4.637 574 HA GLN 76 HA GLN 76 -10.550 -2.839 4.438 575 HB2 GLN 76 2HB GLN 76 -10.844 -2.551 2.039 576 HB3 GLN 76 1HB GLN 76 -12.191 -1.813 2.897 577 HG2 GLN 76 2HG GLN 76 -10.762 0.367 2.688 578 HG3 GLN 76 1HG GLN 76 -9.971 -0.514 1.383 579 HE21 GLN 76 1HE2 GLN 76 -12.900 0.979 2.463 580 HE22 GLN 76 2HE2 GLN 76 -13.711 0.957 0.939 581 H ILE 77 H ILE 77 -8.627 -3.676 3.556 582 HA ILE 77 HA ILE 77 -6.307 -2.080 4.165 583 HB ILE 77 HB ILE 77 -6.460 -4.894 3.053 584 HG12 ILE 77 2HG1 ILE 77 -7.533 -4.700 5.261 585 HG13 ILE 77 1HG1 ILE 77 -6.033 -5.612 5.371 586 HG21 ILE 77 1HG2 ILE 77 -4.300 -3.859 2.596 587 HG22 ILE 77 2HG2 ILE 77 -4.137 -5.110 3.828 588 HG23 ILE 77 3HG2 ILE 77 -4.136 -3.408 4.294 589 HD11 ILE 77 3HD1 ILE 77 -6.296 -4.092 7.248 590 HD12 ILE 77 1HD1 ILE 77 -6.394 -2.724 6.142 591 HD13 ILE 77 2HD1 ILE 77 -4.899 -3.650 6.269 592 H ILE 78 H ILE 78 -6.211 -0.440 2.628 593 HA ILE 78 HA ILE 78 -6.023 -1.102 -0.196 594 HB ILE 78 HB ILE 78 -5.686 1.298 -0.578 595 HG12 ILE 78 2HG1 ILE 78 -5.800 1.544 2.446 596 HG13 ILE 78 1HG1 ILE 78 -4.386 1.841 1.442 597 HG21 ILE 78 1HG2 ILE 78 -7.871 2.081 0.186 598 HG22 ILE 78 2HG2 ILE 78 -7.962 0.740 1.331 599 HG23 ILE 78 3HG2 ILE 78 -7.963 0.421 -0.405 600 HD11 ILE 78 3HD1 ILE 78 -5.409 3.920 2.129 601 HD12 ILE 78 1HD1 ILE 78 -6.945 3.429 1.413 602 HD13 ILE 78 2HD1 ILE 78 -5.544 3.722 0.382 603 H GLY 79 H GLY 79 -3.913 -1.072 2.430 604 HA2 GLY 79 2HA GLY 79 -1.671 -1.567 0.630 605 HA3 GLY 79 1HA GLY 79 -1.486 -0.185 1.700 606 H THR 80 H THR 80 -0.407 -3.142 1.387 607 HA THR 80 HA THR 80 -0.180 -3.553 4.309 608 HB THR 80 HB THR 80 -0.205 -5.718 2.183 609 HG1 THR 80 HG1 THR 80 -2.296 -5.215 2.580 610 HG21 THR 80 3HG2 THR 80 1.355 -6.290 3.965 611 HG22 THR 80 1HG2 THR 80 -0.090 -7.293 4.087 612 HG23 THR 80 2HG2 THR 80 0.132 -5.931 5.184 613 H SER 81 H SER 81 1.883 -3.557 5.076 614 HA SER 81 HA SER 81 4.087 -3.517 3.145 615 HG SER 81 HG SER 81 3.214 -2.312 6.610 616 HB2 SER 81 2HB SER 81 5.480 -2.839 5.107 617 HB3 SER 81 1HB SER 81 4.139 -1.741 4.789 618 H GLN 82 H GLN 82 6.181 -4.637 4.011 619 HA GLN 82 HA GLN 82 5.531 -7.451 4.159 620 HB2 GLN 82 2HB GLN 82 8.229 -6.078 4.086 621 HB3 GLN 82 1HB GLN 82 7.950 -7.803 3.881 622 HG2 GLN 82 2HG GLN 82 6.584 -7.275 1.864 623 HG3 GLN 82 1HG GLN 82 7.060 -5.585 2.043 624 HE21 GLN 82 1HE2 GLN 82 9.210 -5.004 1.628 625 HE22 GLN 82 2HE2 GLN 82 10.284 -6.045 0.764 626 H MET 83 H MET 83 6.629 -8.932 5.683 627 HA MET 83 HA MET 83 6.340 -8.079 8.403 628 HB2 MET 83 2HB MET 83 7.616 -10.621 7.356 629 HB3 MET 83 1HB MET 83 7.033 -10.343 8.992 630 HG2 MET 83 2HG MET 83 5.366 -10.514 6.486 631 HG3 MET 83 1HG MET 83 5.461 -11.707 7.781 632 HE1 MET 83 3HE MET 83 2.687 -10.699 6.740 633 HE2 MET 83 1HE MET 83 1.834 -10.365 8.247 634 HE3 MET 83 2HE MET 83 2.853 -11.799 8.112 635 H TYR 84 H TYR 84 7.805 -6.499 8.969 636 HA TYR 84 HA TYR 84 10.572 -6.663 8.161 637 HD1 TYR 84 HD2 TYR 84 10.905 -4.796 6.662 638 HD2 TYR 84 HD1 TYR 84 7.526 -3.484 8.900 639 HE1 TYR 84 HE2 TYR 84 10.010 -3.695 4.657 640 HE2 TYR 84 HE1 TYR 84 6.622 -2.383 6.895 641 HH TYR 84 HH TYR 84 7.457 -1.478 4.750 642 HB2 TYR 84 2HB TYR 84 9.190 -4.686 9.991 643 HB3 TYR 84 1HB TYR 84 10.821 -4.516 9.348 644 H SER 85 H SER 85 12.368 -6.998 9.443 645 HA SER 85 HA SER 85 11.932 -8.470 11.922 646 HG SER 85 HG SER 85 15.180 -8.500 12.374 647 HB2 SER 85 2HB SER 85 13.543 -9.328 10.256 648 HB3 SER 85 1HB SER 85 14.504 -7.860 10.432 649 H SER 86 H SER 86 12.085 -5.305 11.245 650 HA SER 86 HA SER 86 13.143 -4.623 13.900 651 HG SER 86 HG SER 86 15.031 -1.794 12.530 652 HB2 SER 86 2HB SER 86 15.021 -4.133 12.505 653 HB3 SER 86 1HB SER 86 14.002 -3.373 11.282 654 H THR 87 H THR 87 11.901 -3.192 14.975 655 HA THR 87 HA THR 87 9.469 -2.162 13.963 656 HB THR 87 HB THR 87 9.404 -0.765 16.008 657 HG1 THR 87 HG1 THR 87 11.413 -1.490 17.430 658 HG21 THR 87 3HG2 THR 87 8.702 -3.114 16.143 659 HG22 THR 87 1HG2 THR 87 9.453 -2.586 17.649 660 HG23 THR 87 2HG2 THR 87 10.359 -3.589 16.517 661 H ALA 88 H ALA 88 12.704 -0.803 14.203 662 HA ALA 88 HA ALA 88 12.121 1.869 13.552 663 HB1 ALA 88 3HB ALA 88 14.484 2.059 12.963 664 HB2 ALA 88 1HB ALA 88 14.633 0.301 12.952 665 HB3 ALA 88 2HB ALA 88 14.279 1.149 14.458 666 H ALA 89 H ALA 89 12.883 -0.920 11.482 667 HA ALA 89 HA ALA 89 12.883 0.345 8.988 668 HB1 ALA 89 3HB ALA 89 12.388 -1.852 8.041 669 HB2 ALA 89 1HB ALA 89 11.923 -2.446 9.636 670 HB3 ALA 89 2HB ALA 89 13.594 -1.977 9.322 671 H ARG 90 H ARG 90 10.176 -0.981 10.859 672 HA ARG 90 HA ARG 90 8.096 -0.507 9.039 673 HE ARG 90 HE ARG 90 7.019 0.243 13.821 674 HB2 ARG 90 2HB ARG 90 7.792 -1.842 11.061 675 HB3 ARG 90 1HB ARG 90 8.064 -0.425 12.065 676 HG2 ARG 90 2HG ARG 90 6.007 0.511 10.669 677 HG3 ARG 90 1HG ARG 90 5.665 -1.210 10.492 678 HD2 ARG 90 2HD ARG 90 4.501 -0.275 12.426 679 HD3 ARG 90 1HD ARG 90 5.697 -1.471 12.924 680 HH11 ARG 90 1HH1 ARG 90 4.157 1.512 12.400 681 HH12 ARG 90 2HH1 ARG 90 4.299 3.032 13.212 682 HH21 ARG 90 1HH2 ARG 90 7.167 2.196 14.877 683 HH22 ARG 90 2HH2 ARG 90 5.959 3.404 14.602 684 H ASP 91 H ASP 91 9.181 1.562 11.750 685 HA ASP 91 HA ASP 91 7.377 3.673 11.241 686 HB2 ASP 91 2HB ASP 91 8.556 3.231 13.402 687 HB3 ASP 91 1HB ASP 91 10.043 3.823 12.667 688 H ASN 92 H ASN 92 10.764 3.187 10.254 689 HA ASN 92 HA ASN 92 11.085 5.585 8.811 690 HB2 ASN 92 2HB ASN 92 12.956 4.062 9.373 691 HB3 ASN 92 1HB ASN 92 12.317 2.870 8.243 692 HD21 ASN 92 1HD2 ASN 92 14.155 2.888 6.991 693 HD22 ASN 92 2HD2 ASN 92 14.582 4.217 5.975 694 H GLY 93 H GLY 93 9.751 2.438 7.901 695 HA2 GLY 93 2HA GLY 93 9.224 2.898 5.198 696 HA3 GLY 93 1HA GLY 93 8.292 1.835 6.240 697 H ILE 94 H ILE 94 7.121 3.567 8.024 698 HA ILE 94 HA ILE 94 4.947 4.652 6.655 699 HB ILE 94 HB ILE 94 6.017 5.422 9.382 700 HG12 ILE 94 2HG1 ILE 94 3.853 3.487 8.488 701 HG13 ILE 94 1HG1 ILE 94 5.393 3.070 9.229 702 HG21 ILE 94 1HG2 ILE 94 3.785 6.351 9.832 703 HG22 ILE 94 2HG2 ILE 94 3.317 6.033 8.161 704 HG23 ILE 94 3HG2 ILE 94 4.586 7.206 8.513 705 HD11 ILE 94 3HD1 ILE 94 3.594 2.873 10.823 706 HD12 ILE 94 1HD1 ILE 94 3.130 4.551 10.548 707 HD13 ILE 94 2HD1 ILE 94 4.682 4.177 11.294 708 H LYS 95 H LYS 95 7.861 6.371 7.847 709 HA LYS 95 HA LYS 95 7.145 8.908 6.841 710 HB2 LYS 95 2HB LYS 95 9.813 7.656 7.461 711 HB3 LYS 95 1HB LYS 95 9.696 9.285 6.803 712 HG2 LYS 95 2HG LYS 95 8.290 9.941 8.709 713 HG3 LYS 95 1HG LYS 95 8.465 8.321 9.385 714 HD2 LYS 95 2HD LYS 95 10.789 10.159 8.795 715 HD3 LYS 95 1HD LYS 95 9.998 10.050 10.369 716 HE2 LYS 95 2HE LYS 95 11.350 7.773 8.914 717 HE3 LYS 95 1HE LYS 95 12.029 8.674 10.269 718 HZ1 LYS 95 3HZ LYS 95 10.159 7.913 11.634 719 HZ2 LYS 95 1HZ LYS 95 11.067 6.619 11.035 720 HZ3 LYS 95 2HZ LYS 95 9.577 6.999 10.338 721 H SER 96 H SER 96 8.824 6.194 5.276 722 HA SER 96 HA SER 96 9.407 7.433 2.825 723 HG SER 96 HG SER 96 10.166 4.443 1.381 724 HB2 SER 96 2HB SER 96 10.257 5.196 3.390 725 HB3 SER 96 1HB SER 96 8.623 4.543 3.332 726 H VAL 97 H VAL 97 6.453 5.796 3.930 727 HA VAL 97 HA VAL 97 4.962 5.891 1.565 728 HB VAL 97 HB VAL 97 3.900 6.101 4.389 729 HG11 VAL 97 1HG1 VAL 97 2.544 5.168 1.857 730 HG12 VAL 97 2HG1 VAL 97 2.210 6.666 2.725 731 HG13 VAL 97 3HG1 VAL 97 1.846 5.113 3.476 732 HG21 VAL 97 3HG2 VAL 97 4.434 3.647 2.724 733 HG22 VAL 97 1HG2 VAL 97 3.676 3.671 4.317 734 HG23 VAL 97 2HG2 VAL 97 5.357 4.167 4.132 735 H MET 98 H MET 98 4.978 8.251 4.273 736 HA MET 98 HA MET 98 3.154 10.035 3.056 737 HB2 MET 98 2HB MET 98 3.835 11.669 4.725 738 HB3 MET 98 1HB MET 98 3.640 10.087 5.465 739 HG2 MET 98 2HG MET 98 6.061 9.779 5.454 740 HG3 MET 98 1HG MET 98 6.260 11.358 4.696 741 HE1 MET 98 3HE MET 98 4.644 10.721 8.978 742 HE2 MET 98 1HE MET 98 5.191 9.411 7.929 743 HE3 MET 98 2HE MET 98 3.721 10.303 7.535 744 H GLU 99 H GLU 99 6.606 9.622 2.665 745 HA GLU 99 HA GLU 99 7.084 12.079 1.282 746 HB2 GLU 99 2HB GLU 99 8.919 10.861 2.309 747 HB3 GLU 99 1HB GLU 99 8.615 9.469 1.277 748 HG2 GLU 99 2HG GLU 99 9.176 10.875 -0.697 749 HG3 GLU 99 1HG GLU 99 9.600 12.185 0.403 750 H ASN 100 H ASN 100 6.657 8.723 0.069 751 HA ASN 100 HA ASN 100 6.692 9.748 -2.668 752 HB2 ASN 100 2HB ASN 100 6.735 7.292 -3.273 753 HB3 ASN 100 1HB ASN 100 8.113 7.883 -2.349 754 HD21 ASN 100 1HD2 ASN 100 8.695 6.024 -1.381 755 HD22 ASN 100 2HD2 ASN 100 7.715 5.169 -0.252 756 H GLY 101 H GLY 101 4.425 8.142 -0.478 757 HA2 GLY 101 2HA GLY 101 2.464 7.347 -2.288 758 HA3 GLY 101 1HA GLY 101 2.162 7.772 -0.615 759 H LYS 102 H LYS 102 3.235 10.589 -1.362 760 HA LYS 102 HA LYS 102 0.646 11.685 -2.035 761 HB2 LYS 102 2HB LYS 102 1.748 13.883 -1.752 762 HB3 LYS 102 1HB LYS 102 1.994 12.821 -0.372 763 HG2 LYS 102 2HG LYS 102 4.243 12.296 -1.149 764 HG3 LYS 102 1HG LYS 102 4.005 13.322 -2.566 765 HD2 LYS 102 2HD LYS 102 3.756 15.279 -1.130 766 HD3 LYS 102 1HD LYS 102 3.908 14.264 0.306 767 HE2 LYS 102 2HE LYS 102 6.005 15.432 -0.211 768 HE3 LYS 102 1HE LYS 102 6.186 13.682 -0.311 769 HZ1 LYS 102 3HZ LYS 102 6.045 13.817 -2.699 770 HZ2 LYS 102 1HZ LYS 102 7.273 14.841 -2.145 771 HZ3 LYS 102 2HZ LYS 102 5.789 15.488 -2.633 772 H THR 103 H THR 103 2.802 10.287 -3.987 773 HA THR 103 HA THR 103 3.167 12.203 -6.078 774 HB THR 103 HB THR 103 4.666 10.267 -5.872 775 HG1 THR 103 HG1 THR 103 4.779 9.847 -8.066 776 HG21 THR 103 3HG2 THR 103 2.270 8.629 -6.729 777 HG22 THR 103 1HG2 THR 103 3.022 8.595 -5.134 778 HG23 THR 103 2HG2 THR 103 3.918 8.031 -6.543 779 H THR 104 H THR 104 2.286 12.093 -8.221 780 HA THR 104 HA THR 104 -0.527 11.196 -8.287 781 HB THR 104 HB THR 104 -0.795 12.762 -10.198 782 HG1 THR 104 HG1 THR 104 0.922 13.594 -11.105 783 HG21 THR 104 3HG2 THR 104 -0.659 14.846 -8.910 784 HG22 THR 104 1HG2 THR 104 0.371 14.047 -7.719 785 HG23 THR 104 2HG2 THR 104 -1.305 13.534 -7.923 786 H THR 105 H THR 105 2.442 10.133 -9.243 787 HA THR 105 HA THR 105 1.832 9.365 -11.967 788 HB THR 105 HB THR 105 4.184 8.571 -10.229 789 HG1 THR 105 HG1 THR 105 3.554 10.863 -11.552 790 HG21 THR 105 3HG2 THR 105 3.766 8.336 -13.220 791 HG22 THR 105 1HG2 THR 105 3.861 6.998 -12.076 792 HG23 THR 105 2HG2 THR 105 5.276 8.008 -12.370 793 H ILE 106 H ILE 106 0.435 7.765 -12.342 794 HA ILE 106 HA ILE 106 0.606 5.291 -10.724 795 HB ILE 106 HB ILE 106 -1.777 6.314 -12.301 796 HG12 ILE 106 2HG1 ILE 106 -1.342 6.220 -9.297 797 HG13 ILE 106 1HG1 ILE 106 -1.302 7.678 -10.282 798 HG21 ILE 106 1HG2 ILE 106 -3.014 4.504 -11.195 799 HG22 ILE 106 2HG2 ILE 106 -1.522 3.945 -10.438 800 HG23 ILE 106 3HG2 ILE 106 -1.701 3.877 -12.192 801 HD11 ILE 106 3HD1 ILE 106 -3.416 7.478 -9.124 802 HD12 ILE 106 1HD1 ILE 106 -3.693 5.895 -9.850 803 HD13 ILE 106 2HD1 ILE 106 -3.659 7.338 -10.865 804 H LYS 107 H LYS 107 0.790 3.324 -11.791 805 HA LYS 107 HA LYS 107 1.058 3.407 -14.729 806 HB2 LYS 107 2HB LYS 107 2.752 1.853 -12.757 807 HB3 LYS 107 1HB LYS 107 2.823 1.656 -14.503 808 HG2 LYS 107 2HG LYS 107 3.508 4.011 -14.724 809 HG3 LYS 107 1HG LYS 107 3.486 4.166 -12.966 810 HD2 LYS 107 2HD LYS 107 5.233 2.476 -12.773 811 HD3 LYS 107 1HD LYS 107 5.222 2.237 -14.522 812 HE2 LYS 107 2HE LYS 107 5.930 4.812 -13.108 813 HE3 LYS 107 1HE LYS 107 7.090 3.668 -13.783 814 HZ1 LYS 107 3HZ LYS 107 5.046 5.187 -15.316 815 HZ2 LYS 107 1HZ LYS 107 6.127 4.066 -15.975 816 HZ3 LYS 107 2HZ LYS 107 6.708 5.499 -15.292 817 H ASP 108 H ASP 108 -0.434 2.221 -15.690 818 HA ASP 108 HA ASP 108 -1.839 0.097 -14.299 819 HB2 ASP 108 2HB ASP 108 -3.021 1.727 -15.766 820 HB3 ASP 108 1HB ASP 108 -2.138 1.095 -17.150 821 H LEU 109 H LEU 109 -0.922 -1.887 -14.204 822 HA LEU 109 HA LEU 109 0.836 -2.778 -16.382 823 HG LEU 109 HG LEU 109 1.322 -2.000 -13.194 824 HB2 LEU 109 2HB LEU 109 0.328 -4.156 -13.744 825 HB3 LEU 109 1HB LEU 109 1.617 -4.489 -14.883 826 HD11 LEU 109 1HD1 LEU 109 2.034 -3.879 -11.879 827 HD12 LEU 109 2HD1 LEU 109 3.419 -2.821 -12.155 828 HD13 LEU 109 3HD1 LEU 109 3.252 -4.312 -13.080 829 HD21 LEU 109 3HD2 LEU 109 2.292 -1.418 -15.344 830 HD22 LEU 109 1HD2 LEU 109 3.464 -2.728 -15.195 831 HD23 LEU 109 2HD2 LEU 109 3.522 -1.360 -14.085 832 H THR 110 H THR 110 -2.365 -2.897 -15.964 833 HA THR 110 HA THR 110 -2.777 -5.750 -16.452 834 HB THR 110 HB THR 110 -5.143 -5.340 -16.315 835 HG1 THR 110 HG1 THR 110 -4.510 -2.550 -16.309 836 HG21 THR 110 3HG2 THR 110 -5.342 -4.273 -14.102 837 HG22 THR 110 1HG2 THR 110 -3.695 -3.663 -14.256 838 HG23 THR 110 2HG2 THR 110 -3.988 -5.401 -14.169 839 H LEU 111 H LEU 111 -3.089 -2.681 -18.176 840 HA LEU 111 HA LEU 111 -3.773 -3.962 -20.683 841 HG LEU 111 HG LEU 111 -5.008 -1.619 -18.906 842 HB2 LEU 111 2HB LEU 111 -2.923 -1.106 -20.138 843 HB3 LEU 111 1HB LEU 111 -3.659 -1.704 -21.615 844 HD11 LEU 111 1HD1 LEU 111 -4.685 0.615 -19.795 845 HD12 LEU 111 2HD1 LEU 111 -6.387 0.161 -19.869 846 HD13 LEU 111 3HD1 LEU 111 -5.402 0.132 -21.333 847 HD21 LEU 111 3HD2 LEU 111 -6.105 -2.363 -21.622 848 HD22 LEU 111 1HD2 LEU 111 -7.050 -2.189 -20.142 849 HD23 LEU 111 2HD2 LEU 111 -5.835 -3.461 -20.266 850 H GLU 112 H GLU 112 -0.939 -2.649 -19.084 851 HA GLU 112 HA GLU 112 0.830 -3.364 -21.291 852 HB2 GLU 112 2HB GLU 112 1.350 -2.211 -18.540 853 HB3 GLU 112 1HB GLU 112 2.631 -2.617 -19.675 854 HG2 GLU 112 2HG GLU 112 0.449 -0.576 -20.088 855 HG3 GLU 112 1HG GLU 112 2.151 -0.251 -19.757 856 H HIS 113 H HIS 113 3.016 -4.472 -20.182 857 HA HIS 113 HA HIS 113 2.132 -6.795 -18.599 858 HD1 HIS 113 HD1 HIS 113 0.560 -8.611 -20.177 859 HD2 HIS 113 HD2 HIS 113 2.419 -6.428 -23.186 860 HE1 HIS 113 HE1 HIS 113 -1.103 -8.495 -22.046 861 HE2 HIS 113 HE2 HIS 113 0.101 -7.317 -23.910 862 HB2 HIS 113 2HB HIS 113 3.932 -7.073 -21.021 863 HB3 HIS 113 1HB HIS 113 3.271 -8.367 -20.026 864 H HIS 114 H HIS 114 3.206 -6.052 -16.769 865 HA HIS 114 HA HIS 114 6.027 -5.333 -16.951 866 HD1 HIS 114 HD1 HIS 114 6.449 -6.049 -13.064 867 HD2 HIS 114 HD2 HIS 114 6.615 -2.473 -15.167 868 HE1 HIS 114 HE1 HIS 114 8.363 -4.771 -12.065 869 HE2 HIS 114 HE2 HIS 114 8.313 -2.542 -13.223 870 HB2 HIS 114 2HB HIS 114 4.388 -4.073 -15.508 871 HB3 HIS 114 1HB HIS 114 4.300 -5.490 -14.471 872 H HIS 115 H HIS 115 7.121 -7.237 -17.410 873 HA HIS 115 HA HIS 115 6.532 -9.706 -16.077 874 HD1 HIS 115 HD1 HIS 115 7.993 -7.954 -19.795 875 HD2 HIS 115 HD2 HIS 115 10.930 -8.846 -16.996 876 HE1 HIS 115 HE1 HIS 115 10.000 -6.614 -20.479 877 HE2 HIS 115 HE2 HIS 115 11.728 -7.087 -18.716 878 HB2 HIS 115 2HB HIS 115 8.598 -10.544 -17.262 879 HB3 HIS 115 1HB HIS 115 7.349 -9.878 -18.305 880 H HIS 116 H HIS 116 7.087 -10.237 -14.090 881 HA HIS 116 HA HIS 116 9.749 -9.636 -13.060 882 HD1 HIS 116 HD1 HIS 116 7.641 -9.208 -9.219 883 HD2 HIS 116 HD2 HIS 116 11.047 -7.739 -11.092 884 HE1 HIS 116 HE1 HIS 116 9.329 -8.887 -7.392 885 HE2 HIS 116 HE2 HIS 116 11.392 -8.047 -8.548 886 HB2 HIS 116 2HB HIS 116 8.418 -7.661 -12.409 887 HB3 HIS 116 1HB HIS 116 7.242 -8.706 -11.625 888 H HIS 117 H HIS 117 10.170 -11.842 -12.937 889 HA HIS 117 HA HIS 117 8.343 -13.736 -11.874 890 HD1 HIS 117 HD1 HIS 117 11.693 -15.940 -10.482 891 HD2 HIS 117 HD2 HIS 117 8.503 -16.597 -13.064 892 HE1 HIS 117 HE1 HIS 117 10.992 -18.318 -10.095 893 HE2 HIS 117 HE2 HIS 117 9.027 -18.678 -11.619 894 HB2 HIS 117 2HB HIS 117 10.218 -14.301 -13.434 895 HB3 HIS 117 1HB HIS 117 11.347 -14.034 -12.110 896 H HIS 118 H HIS 118 8.049 -14.527 -9.858 897 HA HIS 118 HA HIS 118 9.787 -13.619 -7.669 898 HD1 HIS 118 HD1 HIS 118 6.613 -11.885 -9.732 899 HD2 HIS 118 HD2 HIS 118 5.219 -14.442 -6.767 900 HE1 HIS 118 HE1 HIS 118 4.253 -12.427 -10.373 901 HE2 HIS 118 HE2 HIS 118 3.484 -14.092 -8.657 902 HB2 HIS 118 2HB HIS 118 7.649 -13.127 -6.341 903 HB3 HIS 118 1HB HIS 118 8.099 -11.967 -7.585 Start of MODEL 11 1 HA MET 1 HA MET 1 13.791 8.631 -9.593 2 H1 MET 1 1H MET 1 14.704 11.387 -8.991 3 H2 MET 1 2H MET 1 13.640 10.979 -10.232 4 H3 MET 1 3H MET 1 15.228 10.399 -10.261 5 HB2 MET 1 2HB MET 1 15.333 9.769 -7.244 6 HB3 MET 1 1HB MET 1 14.764 8.110 -7.363 7 HG2 MET 1 2HG MET 1 16.216 7.714 -9.259 8 HG3 MET 1 1HG MET 1 16.733 9.400 -9.244 9 HE1 MET 1 3HE MET 1 16.126 6.978 -6.155 10 HE2 MET 1 1HE MET 1 17.756 6.342 -5.926 11 HE3 MET 1 2HE MET 1 16.850 5.942 -7.384 12 H SER 2 H SER 2 11.580 8.984 -9.565 13 HA SER 2 HA SER 2 10.405 10.304 -7.196 14 HG SER 2 HG SER 2 9.959 11.120 -10.677 15 HB2 SER 2 2HB SER 2 8.951 9.555 -9.749 16 HB3 SER 2 1HB SER 2 8.426 10.681 -8.497 17 H GLY 3 H GLY 3 8.276 9.332 -6.459 18 HA2 GLY 3 2HA GLY 3 8.410 6.391 -6.392 19 HA3 GLY 3 1HA GLY 3 7.447 7.410 -5.332 20 H TRP 4 H TRP 4 6.414 5.119 -6.736 21 HA TRP 4 HA TRP 4 4.244 6.390 -8.174 22 HD1 TRP 4 HD1 TRP 4 4.884 2.550 -10.228 23 HE1 TRP 4 HE1 TRP 4 6.982 1.069 -10.373 24 HE3 TRP 4 HE3 TRP 4 8.447 6.081 -9.243 25 HZ2 TRP 4 HZ2 TRP 4 9.768 1.348 -10.101 26 HZ3 TRP 4 HZ3 TRP 4 10.807 5.389 -9.208 27 HH2 TRP 4 HH2 TRP 4 11.454 3.071 -9.627 28 HB2 TRP 4 2HB TRP 4 4.559 5.213 -10.285 29 HB3 TRP 4 1HB TRP 4 5.967 6.208 -9.931 30 H TYR 5 H TYR 5 2.576 4.869 -8.913 31 HA TYR 5 HA TYR 5 2.436 2.418 -7.267 32 HD1 TYR 5 HD2 TYR 5 0.167 2.611 -5.255 33 HD2 TYR 5 HD1 TYR 5 0.606 6.104 -7.649 34 HE1 TYR 5 HE2 TYR 5 -0.168 4.012 -3.261 35 HE2 TYR 5 HE1 TYR 5 0.269 7.512 -5.664 36 HH TYR 5 HH TYR 5 0.369 6.307 -2.509 37 HB2 TYR 5 2HB TYR 5 0.217 3.943 -8.670 38 HB3 TYR 5 1HB TYR 5 -0.003 2.499 -7.690 39 H GLU 6 H GLU 6 2.661 0.489 -8.306 40 HA GLU 6 HA GLU 6 2.184 0.384 -11.211 41 HB2 GLU 6 2HB GLU 6 3.675 -1.478 -9.357 42 HB3 GLU 6 1HB GLU 6 3.293 -1.901 -11.021 43 HG2 GLU 6 2HG GLU 6 4.573 0.014 -11.816 44 HG3 GLU 6 1HG GLU 6 4.929 0.477 -10.155 45 H LEU 7 H LEU 7 0.144 -0.058 -11.693 46 HA LEU 7 HA LEU 7 -1.453 -1.865 -10.041 47 HG LEU 7 HG LEU 7 -3.697 -2.207 -12.061 48 HB2 LEU 7 2HB LEU 7 -2.462 0.237 -10.785 49 HB3 LEU 7 1HB LEU 7 -2.168 -0.196 -12.459 50 HD11 LEU 7 1HD1 LEU 7 -3.646 -2.166 -9.618 51 HD12 LEU 7 2HD1 LEU 7 -5.292 -2.033 -10.231 52 HD13 LEU 7 3HD1 LEU 7 -4.460 -0.602 -9.621 53 HD21 LEU 7 3HD2 LEU 7 -4.854 0.578 -11.901 54 HD22 LEU 7 1HD2 LEU 7 -5.731 -0.873 -12.389 55 HD23 LEU 7 2HD2 LEU 7 -4.390 -0.284 -13.368 56 H SER 8 H SER 8 -1.437 -3.996 -10.485 57 HA SER 8 HA SER 8 -1.316 -4.831 -13.313 58 HG SER 8 HG SER 8 0.830 -5.835 -10.249 59 HB2 SER 8 2HB SER 8 0.070 -6.769 -12.695 60 HB3 SER 8 1HB SER 8 0.882 -5.263 -12.267 61 H LYS 9 H LYS 9 -2.283 -6.946 -13.746 62 HA LYS 9 HA LYS 9 -4.501 -7.482 -11.873 63 HB2 LYS 9 2HB LYS 9 -5.108 -6.719 -14.178 64 HB3 LYS 9 1HB LYS 9 -4.353 -8.175 -14.818 65 HG2 LYS 9 2HG LYS 9 -5.949 -9.547 -13.543 66 HG3 LYS 9 1HG LYS 9 -6.715 -8.078 -12.943 67 HD2 LYS 9 2HD LYS 9 -8.003 -8.978 -14.781 68 HD3 LYS 9 1HD LYS 9 -7.267 -7.449 -15.271 69 HE2 LYS 9 2HE LYS 9 -5.601 -8.577 -16.558 70 HE3 LYS 9 1HE LYS 9 -6.054 -10.144 -15.883 71 HZ1 LYS 9 3HZ LYS 9 -8.154 -10.017 -17.011 72 HZ2 LYS 9 1HZ LYS 9 -6.907 -9.799 -18.133 73 HZ3 LYS 9 2HZ LYS 9 -7.806 -8.469 -17.595 74 H SER 10 H SER 10 -4.872 -9.497 -11.100 75 HA SER 10 HA SER 10 -2.765 -11.462 -11.283 76 HG SER 10 HG SER 10 -3.571 -13.181 -8.837 77 HB2 SER 10 2HB SER 10 -3.810 -11.124 -9.127 78 HB3 SER 10 1HB SER 10 -5.407 -11.460 -9.794 79 H SER 11 H SER 11 -3.360 -13.817 -11.584 80 HA SER 11 HA SER 11 -4.428 -14.265 -14.160 81 HG SER 11 HG SER 11 -4.480 -17.128 -11.526 82 HB2 SER 11 2HB SER 11 -4.272 -16.690 -13.572 83 HB3 SER 11 1HB SER 11 -2.792 -15.800 -13.220 84 H ASN 12 H ASN 12 -5.919 -14.128 -11.037 85 HA ASN 12 HA ASN 12 -8.405 -15.355 -11.917 86 HB2 ASN 12 2HB ASN 12 -7.761 -13.867 -9.353 87 HB3 ASN 12 1HB ASN 12 -9.241 -14.768 -9.669 88 HD21 ASN 12 1HD2 ASN 12 -7.311 -15.183 -7.567 89 HD22 ASN 12 2HD2 ASN 12 -6.723 -16.795 -7.757 90 H ASP 13 H ASP 13 -7.169 -12.695 -12.994 91 HA ASP 13 HA ASP 13 -7.871 -10.731 -13.849 92 HB2 ASP 13 2HB ASP 13 -10.528 -12.129 -13.584 93 HB3 ASP 13 1HB ASP 13 -10.387 -10.519 -14.287 94 H GLN 14 H GLN 14 -7.951 -11.207 -10.762 95 HA GLN 14 HA GLN 14 -9.451 -8.814 -9.999 96 HB2 GLN 14 2HB GLN 14 -7.876 -10.800 -8.341 97 HB3 GLN 14 1HB GLN 14 -8.713 -9.400 -7.682 98 HG2 GLN 14 2HG GLN 14 -10.845 -10.300 -8.513 99 HG3 GLN 14 1HG GLN 14 -9.995 -11.719 -9.124 100 HE21 GLN 14 1HE2 GLN 14 -11.100 -10.051 -6.278 101 HE22 GLN 14 2HE2 GLN 14 -10.869 -11.364 -5.180 102 H PHE 15 H PHE 15 -8.463 -6.931 -9.215 103 HA PHE 15 HA PHE 15 -5.808 -6.541 -10.391 104 HD1 PHE 15 HD2 PHE 15 -9.614 -5.858 -10.787 105 HD2 PHE 15 HD1 PHE 15 -6.119 -4.292 -12.659 106 HE1 PHE 15 HE2 PHE 15 -10.662 -6.158 -12.992 107 HE2 PHE 15 HE1 PHE 15 -7.168 -4.589 -14.864 108 HZ PHE 15 HZ PHE 15 -9.440 -5.523 -15.032 109 HB2 PHE 15 2HB PHE 15 -7.903 -4.534 -9.525 110 HB3 PHE 15 1HB PHE 15 -6.375 -4.127 -10.303 111 H LYS 16 H LYS 16 -4.086 -5.630 -9.360 112 HA LYS 16 HA LYS 16 -4.275 -4.988 -6.493 113 HB2 LYS 16 2HB LYS 16 -2.243 -6.257 -6.012 114 HB3 LYS 16 1HB LYS 16 -3.464 -7.326 -6.692 115 HG2 LYS 16 2HG LYS 16 -2.364 -7.267 -8.856 116 HG3 LYS 16 1HG LYS 16 -1.184 -6.106 -8.251 117 HD2 LYS 16 2HD LYS 16 -0.192 -8.313 -8.295 118 HD3 LYS 16 1HD LYS 16 -0.398 -7.798 -6.620 119 HE2 LYS 16 2HE LYS 16 -2.373 -9.179 -6.398 120 HE3 LYS 16 1HE LYS 16 -2.299 -9.614 -8.105 121 HZ1 LYS 16 3HZ LYS 16 -0.208 -10.739 -7.701 122 HZ2 LYS 16 1HZ LYS 16 -1.407 -11.355 -6.680 123 HZ3 LYS 16 2HZ LYS 16 -0.247 -10.295 -6.068 124 H PHE 17 H PHE 17 -2.517 -3.577 -5.754 125 HA PHE 17 HA PHE 17 -0.774 -2.513 -7.856 126 HD1 PHE 17 HD2 PHE 17 -4.531 -1.516 -6.322 127 HD2 PHE 17 HD1 PHE 17 -1.083 0.570 -4.931 128 HE1 PHE 17 HE2 PHE 17 -5.762 -0.824 -4.309 129 HE2 PHE 17 HE1 PHE 17 -2.314 1.262 -2.914 130 HZ PHE 17 HZ PHE 17 -4.656 0.566 -2.603 131 HB2 PHE 17 2HB PHE 17 -1.230 -0.180 -7.223 132 HB3 PHE 17 1HB PHE 17 -2.672 -0.981 -7.832 133 H VAL 18 H VAL 18 1.194 -1.731 -7.194 134 HA VAL 18 HA VAL 18 1.816 -1.990 -4.311 135 HB VAL 18 HB VAL 18 4.067 -2.727 -4.877 136 HG11 VAL 18 1HG1 VAL 18 2.369 -4.445 -4.580 137 HG12 VAL 18 2HG1 VAL 18 3.548 -4.948 -5.792 138 HG13 VAL 18 3HG1 VAL 18 1.961 -4.363 -6.295 139 HG21 VAL 18 3HG2 VAL 18 4.701 -3.274 -7.192 140 HG22 VAL 18 1HG2 VAL 18 4.368 -1.554 -6.993 141 HG23 VAL 18 2HG2 VAL 18 3.176 -2.598 -7.766 142 H LEU 19 H LEU 19 3.202 -0.473 -3.396 143 HA LEU 19 HA LEU 19 3.625 1.969 -4.992 144 HG LEU 19 HG LEU 19 4.911 3.517 -2.456 145 HB2 LEU 19 2HB LEU 19 2.220 2.247 -3.013 146 HB3 LEU 19 1HB LEU 19 3.482 1.580 -1.996 147 HD11 LEU 19 1HD1 LEU 19 3.999 5.468 -3.665 148 HD12 LEU 19 2HD1 LEU 19 2.609 4.493 -4.145 149 HD13 LEU 19 3HD1 LEU 19 4.226 4.061 -4.701 150 HD21 LEU 19 3HD2 LEU 19 3.613 5.202 -1.254 151 HD22 LEU 19 1HD2 LEU 19 3.377 3.602 -0.552 152 HD23 LEU 19 2HD2 LEU 19 2.128 4.308 -1.580 153 H LYS 20 H LYS 20 5.623 2.254 -5.731 154 HA LYS 20 HA LYS 20 7.894 1.100 -4.238 155 HB2 LYS 20 2HB LYS 20 7.606 1.824 -7.162 156 HB3 LYS 20 1HB LYS 20 9.136 1.371 -6.423 157 HG2 LYS 20 2HG LYS 20 8.195 -0.818 -5.827 158 HG3 LYS 20 1HG LYS 20 6.669 -0.358 -6.588 159 HD2 LYS 20 2HD LYS 20 7.767 -0.162 -8.749 160 HD3 LYS 20 1HD LYS 20 9.334 -0.507 -8.012 161 HE2 LYS 20 2HE LYS 20 8.630 -2.747 -7.448 162 HE3 LYS 20 1HE LYS 20 6.988 -2.411 -8.000 163 HZ1 LYS 20 3HZ LYS 20 8.189 -3.648 -9.661 164 HZ2 LYS 20 1HZ LYS 20 9.422 -2.493 -9.706 165 HZ3 LYS 20 2HZ LYS 20 7.865 -2.101 -10.247 166 H ALA 21 H ALA 21 9.692 2.305 -3.739 167 HA ALA 21 HA ALA 21 9.331 5.178 -3.573 168 HB1 ALA 21 3HB ALA 21 11.635 3.462 -2.641 169 HB2 ALA 21 1HB ALA 21 10.233 3.911 -1.671 170 HB3 ALA 21 2HB ALA 21 11.358 5.153 -2.222 171 H GLY 22 H GLY 22 11.643 6.383 -3.875 172 HA2 GLY 22 2HA GLY 22 11.940 6.758 -6.621 173 HA3 GLY 22 1HA GLY 22 13.064 7.328 -5.404 174 H ASN 23 H ASN 23 13.545 4.433 -4.590 175 HA ASN 23 HA ASN 23 15.615 3.902 -6.585 176 HB2 ASN 23 2HB ASN 23 16.473 2.271 -4.937 177 HB3 ASN 23 1HB ASN 23 16.289 3.880 -4.246 178 HD21 ASN 23 1HD2 ASN 23 16.346 1.242 -2.963 179 HD22 ASN 23 2HD2 ASN 23 14.884 1.146 -2.051 180 H GLY 24 H GLY 24 12.454 2.939 -6.071 181 HA2 GLY 24 2HA GLY 24 11.296 1.435 -7.481 182 HA3 GLY 24 1HA GLY 24 12.803 0.595 -7.800 183 H GLU 25 H GLU 25 12.609 1.091 -4.502 184 HA GLU 25 HA GLU 25 12.112 -1.687 -3.985 185 HB2 GLU 25 2HB GLU 25 13.717 -0.307 -2.675 186 HB3 GLU 25 1HB GLU 25 12.366 0.606 -2.020 187 HG2 GLU 25 2HG GLU 25 13.117 -1.029 -0.415 188 HG3 GLU 25 1HG GLU 25 11.499 -1.444 -0.979 189 H VAL 26 H VAL 26 10.317 -2.668 -3.097 190 HA VAL 26 HA VAL 26 7.819 -1.188 -3.355 191 HB VAL 26 HB VAL 26 8.221 -4.115 -2.682 192 HG11 VAL 26 1HG1 VAL 26 5.884 -4.361 -3.442 193 HG12 VAL 26 2HG1 VAL 26 5.774 -2.609 -3.624 194 HG13 VAL 26 3HG1 VAL 26 6.026 -3.315 -2.027 195 HG21 VAL 26 3HG2 VAL 26 7.701 -2.828 -5.370 196 HG22 VAL 26 1HG2 VAL 26 7.752 -4.561 -5.048 197 HG23 VAL 26 2HG2 VAL 26 9.210 -3.587 -4.858 198 H ILE 27 H ILE 27 7.352 0.063 -1.592 199 HA ILE 27 HA ILE 27 7.890 -0.925 1.087 200 HB ILE 27 HB ILE 27 6.933 1.238 1.874 201 HG12 ILE 27 2HG1 ILE 27 6.722 1.865 -1.090 202 HG13 ILE 27 1HG1 ILE 27 5.365 1.650 0.011 203 HG21 ILE 27 1HG2 ILE 27 9.327 0.986 1.461 204 HG22 ILE 27 2HG2 ILE 27 8.790 2.622 1.084 205 HG23 ILE 27 3HG2 ILE 27 9.101 1.473 -0.220 206 HD11 ILE 27 3HD1 ILE 27 6.092 3.621 1.278 207 HD12 ILE 27 1HD1 ILE 27 5.764 3.994 -0.415 208 HD13 ILE 27 2HD1 ILE 27 7.429 3.840 0.144 209 H LEU 28 H LEU 28 5.011 -0.296 -0.912 210 HA LEU 28 HA LEU 28 3.415 -1.788 1.088 211 HG LEU 28 HG LEU 28 1.587 1.387 1.662 212 HB2 LEU 28 2HB LEU 28 2.754 0.734 -0.385 213 HB3 LEU 28 1HB LEU 28 1.457 -0.374 0.002 214 HD11 LEU 28 1HD1 LEU 28 2.541 -1.241 2.798 215 HD12 LEU 28 2HD1 LEU 28 0.870 -0.814 2.422 216 HD13 LEU 28 3HD1 LEU 28 1.736 0.050 3.692 217 HD21 LEU 28 3HD2 LEU 28 4.389 0.424 2.212 218 HD22 LEU 28 1HD2 LEU 28 3.513 1.662 3.110 219 HD23 LEU 28 2HD2 LEU 28 3.951 1.941 1.426 220 H THR 29 H THR 29 1.922 -3.252 0.362 221 HA THR 29 HA THR 29 1.296 -3.416 -2.502 222 HB THR 29 HB THR 29 2.228 -5.785 -0.845 223 HG1 THR 29 HG1 THR 29 3.580 -4.148 -2.364 224 HG21 THR 29 3HG2 THR 29 0.302 -6.451 -2.188 225 HG22 THR 29 1HG2 THR 29 1.776 -7.144 -2.865 226 HG23 THR 29 2HG2 THR 29 1.030 -5.738 -3.626 227 H SER 30 H SER 30 -0.870 -3.713 -2.811 228 HA SER 30 HA SER 30 -2.501 -4.347 -0.431 229 HG SER 30 HG SER 30 -5.238 -2.558 -1.777 230 HB2 SER 30 2HB SER 30 -2.994 -2.198 -1.568 231 HB3 SER 30 1HB SER 30 -3.374 -3.081 -3.045 232 H GLU 31 H GLU 31 -4.382 -5.735 -0.685 233 HA GLU 31 HA GLU 31 -3.770 -8.110 -2.163 234 HB2 GLU 31 2HB GLU 31 -6.151 -7.355 -0.462 235 HB3 GLU 31 1HB GLU 31 -5.981 -8.922 -1.236 236 HG2 GLU 31 2HG GLU 31 -5.176 -9.395 0.847 237 HG3 GLU 31 1HG GLU 31 -3.684 -8.977 0.011 238 H LEU 32 H LEU 32 -6.185 -9.119 -3.010 239 HA LEU 32 HA LEU 32 -6.337 -7.827 -5.583 240 HG LEU 32 HG LEU 32 -5.211 -10.600 -4.833 241 HB2 LEU 32 2HB LEU 32 -7.628 -10.327 -4.499 242 HB3 LEU 32 1HB LEU 32 -7.805 -9.774 -6.153 243 HD11 LEU 32 1HD1 LEU 32 -6.870 -11.951 -6.968 244 HD12 LEU 32 2HD1 LEU 32 -6.651 -12.504 -5.308 245 HD13 LEU 32 3HD1 LEU 32 -5.280 -12.479 -6.416 246 HD21 LEU 32 3HD2 LEU 32 -4.875 -8.805 -6.468 247 HD22 LEU 32 1HD2 LEU 32 -5.754 -9.739 -7.679 248 HD23 LEU 32 2HD2 LEU 32 -4.217 -10.334 -7.049 249 H TYR 33 H TYR 33 -7.838 -6.482 -6.274 250 HA TYR 33 HA TYR 33 -10.352 -6.130 -4.798 251 HD1 TYR 33 HD2 TYR 33 -6.970 -4.409 -5.550 252 HD2 TYR 33 HD1 TYR 33 -10.717 -2.984 -4.110 253 HE1 TYR 33 HE2 TYR 33 -5.814 -3.184 -3.759 254 HE2 TYR 33 HE1 TYR 33 -9.568 -1.759 -2.316 255 HH TYR 33 HH TYR 33 -7.376 -1.942 -1.077 256 HB2 TYR 33 2HB TYR 33 -9.048 -4.454 -6.964 257 HB3 TYR 33 1HB TYR 33 -10.602 -4.084 -6.221 258 H THR 34 H THR 34 -12.384 -6.026 -5.970 259 HA THR 34 HA THR 34 -12.611 -8.145 -7.901 260 HB THR 34 HB THR 34 -15.031 -7.681 -7.873 261 HG1 THR 34 HG1 THR 34 -15.795 -6.005 -6.470 262 HG21 THR 34 3HG2 THR 34 -15.435 -8.187 -5.510 263 HG22 THR 34 1HG2 THR 34 -13.791 -7.687 -5.110 264 HG23 THR 34 2HG2 THR 34 -14.063 -9.107 -6.122 265 H GLY 35 H GLY 35 -12.507 -4.664 -8.074 266 HA2 GLY 35 2HA GLY 35 -12.615 -4.857 -11.018 267 HA3 GLY 35 1HA GLY 35 -13.579 -3.646 -10.187 268 H LYS 36 H LYS 36 -11.553 -3.145 -12.165 269 HA LYS 36 HA LYS 36 -9.092 -2.372 -11.004 270 HB2 LYS 36 2HB LYS 36 -9.392 -2.746 -13.422 271 HB3 LYS 36 1HB LYS 36 -10.415 -1.319 -13.514 272 HG2 LYS 36 2HG LYS 36 -8.553 0.104 -12.913 273 HG3 LYS 36 1HG LYS 36 -7.515 -1.303 -12.684 274 HD2 LYS 36 2HD LYS 36 -7.043 -0.299 -14.835 275 HD3 LYS 36 1HD LYS 36 -7.811 -1.867 -15.082 276 HE2 LYS 36 2HE LYS 36 -8.740 -0.228 -16.622 277 HE3 LYS 36 1HE LYS 36 -9.970 -0.727 -15.462 278 HZ1 LYS 36 3HZ LYS 36 -9.923 1.689 -15.864 279 HZ2 LYS 36 1HZ LYS 36 -8.355 1.755 -15.233 280 HZ3 LYS 36 2HZ LYS 36 -9.651 1.301 -14.245 281 H SER 37 H SER 37 -12.030 -0.501 -11.727 282 HA SER 37 HA SER 37 -11.162 2.025 -10.923 283 HG SER 37 HG SER 37 -13.657 3.518 -11.176 284 HB2 SER 37 2HB SER 37 -13.311 1.637 -12.064 285 HB3 SER 37 1HB SER 37 -13.936 0.838 -10.623 286 H GLY 38 H GLY 38 -12.509 -0.623 -8.971 287 HA2 GLY 38 2HA GLY 38 -12.566 0.694 -6.482 288 HA3 GLY 38 1HA GLY 38 -12.409 -1.043 -6.711 289 H ALA 39 H ALA 39 -9.974 -1.230 -7.995 290 HA ALA 39 HA ALA 39 -8.059 -1.000 -5.969 291 HB1 ALA 39 3HB ALA 39 -7.832 -2.498 -7.906 292 HB2 ALA 39 1HB ALA 39 -6.397 -1.497 -7.681 293 HB3 ALA 39 2HB ALA 39 -7.559 -1.101 -8.949 294 H MET 40 H MET 40 -8.654 1.149 -8.751 295 HA MET 40 HA MET 40 -6.654 3.049 -8.154 296 HB2 MET 40 2HB MET 40 -9.296 3.470 -9.572 297 HB3 MET 40 1HB MET 40 -7.939 4.588 -9.596 298 HG2 MET 40 2HG MET 40 -6.565 2.886 -10.703 299 HG3 MET 40 1HG MET 40 -7.942 1.785 -10.699 300 HE1 MET 40 3HE MET 40 -7.766 5.717 -13.115 301 HE2 MET 40 1HE MET 40 -6.422 5.093 -12.155 302 HE3 MET 40 2HE MET 40 -7.880 5.684 -11.356 303 H ASN 41 H ASN 41 -10.053 2.830 -7.149 304 HA ASN 41 HA ASN 41 -10.354 5.174 -5.699 305 HB2 ASN 41 2HB ASN 41 -12.139 3.477 -6.112 306 HB3 ASN 41 1HB ASN 41 -11.381 2.421 -4.929 307 HD21 ASN 41 1HD2 ASN 41 -14.051 3.525 -4.959 308 HD22 ASN 41 2HD2 ASN 41 -14.225 4.419 -3.494 309 H GLY 42 H GLY 42 -8.936 2.086 -4.649 310 HA2 GLY 42 2HA GLY 42 -8.158 2.882 -2.057 311 HA3 GLY 42 1HA GLY 42 -7.425 1.591 -2.995 312 H ILE 43 H ILE 43 -6.520 3.232 -5.189 313 HA ILE 43 HA ILE 43 -3.984 3.987 -4.176 314 HB ILE 43 HB ILE 43 -5.261 4.656 -6.840 315 HG12 ILE 43 2HG1 ILE 43 -3.310 2.467 -6.050 316 HG13 ILE 43 1HG1 ILE 43 -5.015 2.237 -6.420 317 HG21 ILE 43 1HG2 ILE 43 -2.990 5.117 -7.638 318 HG22 ILE 43 2HG2 ILE 43 -2.359 4.850 -6.013 319 HG23 ILE 43 3HG2 ILE 43 -3.437 6.208 -6.327 320 HD11 ILE 43 3HD1 ILE 43 -2.868 3.138 -8.329 321 HD12 ILE 43 1HD1 ILE 43 -4.584 3.019 -8.720 322 HD13 ILE 43 2HD1 ILE 43 -3.673 1.571 -8.297 323 H GLU 44 H GLU 44 -6.662 6.016 -5.431 324 HA GLU 44 HA GLU 44 -5.450 8.495 -4.819 325 HB2 GLU 44 2HB GLU 44 -7.733 9.445 -5.048 326 HB3 GLU 44 1HB GLU 44 -7.290 8.395 -6.385 327 HG2 GLU 44 2HG GLU 44 -8.588 6.569 -5.322 328 HG3 GLU 44 1HG GLU 44 -9.107 7.708 -4.082 329 H SER 45 H SER 45 -7.488 6.322 -2.924 330 HA SER 45 HA SER 45 -7.889 7.954 -0.670 331 HG SER 45 HG SER 45 -9.360 5.902 1.017 332 HB2 SER 45 2HB SER 45 -9.031 5.766 -1.036 333 HB3 SER 45 1HB SER 45 -7.514 4.941 -0.681 334 H VAL 46 H VAL 46 -5.245 5.673 -1.413 335 HA VAL 46 HA VAL 46 -3.672 6.065 0.861 336 HB VAL 46 HB VAL 46 -2.756 5.522 -1.979 337 HG11 VAL 46 1HG1 VAL 46 -0.902 6.417 -0.661 338 HG12 VAL 46 2HG1 VAL 46 -0.665 4.700 -0.970 339 HG13 VAL 46 3HG1 VAL 46 -1.220 5.240 0.613 340 HG21 VAL 46 3HG2 VAL 46 -4.244 3.801 -1.092 341 HG22 VAL 46 1HG2 VAL 46 -3.239 3.650 0.347 342 HG23 VAL 46 2HG2 VAL 46 -2.599 3.186 -1.230 343 H GLN 47 H GLN 47 -3.723 7.926 -2.176 344 HA GLN 47 HA GLN 47 -1.647 9.712 -1.644 345 HB2 GLN 47 2HB GLN 47 -4.222 10.265 -3.141 346 HB3 GLN 47 1HB GLN 47 -2.756 11.231 -3.241 347 HG2 GLN 47 2HG GLN 47 -1.561 9.344 -4.214 348 HG3 GLN 47 1HG GLN 47 -3.008 8.346 -4.081 349 HE21 GLN 47 1HE2 GLN 47 -1.470 9.083 -6.437 350 HE22 GLN 47 2HE2 GLN 47 -2.579 9.866 -7.506 351 H THR 48 H THR 48 -5.049 9.866 -0.652 352 HA THR 48 HA THR 48 -4.786 12.417 0.672 353 HB THR 48 HB THR 48 -6.954 10.324 1.022 354 HG1 THR 48 HG1 THR 48 -6.789 12.548 -0.768 355 HG21 THR 48 3HG2 THR 48 -6.964 13.298 1.597 356 HG22 THR 48 1HG2 THR 48 -6.950 12.011 2.805 357 HG23 THR 48 2HG2 THR 48 -8.349 12.218 1.751 358 H ASN 49 H ASN 49 -4.639 9.048 1.668 359 HA ASN 49 HA ASN 49 -4.718 9.569 4.492 360 HB2 ASN 49 2HB ASN 49 -4.045 7.058 2.942 361 HB3 ASN 49 1HB ASN 49 -4.238 7.131 4.692 362 HD21 ASN 49 1HD2 ASN 49 -5.739 5.705 2.582 363 HD22 ASN 49 2HD2 ASN 49 -7.386 6.159 2.799 364 H SER 50 H SER 50 -2.190 9.335 2.138 365 HA SER 50 HA SER 50 -0.032 8.257 3.302 366 HG SER 50 HG SER 50 2.132 9.055 1.756 367 HB2 SER 50 2HB SER 50 0.093 9.155 1.072 368 HB3 SER 50 1HB SER 50 -0.054 10.806 1.676 369 HA PRO 51 HA PRO 51 1.377 11.992 5.901 370 HB2 PRO 51 2HB PRO 51 0.043 14.299 6.006 371 HB3 PRO 51 1HB PRO 51 1.016 13.881 4.589 372 HG2 PRO 51 2HG PRO 51 -1.953 13.677 4.972 373 HG3 PRO 51 1HG PRO 51 -1.048 14.288 3.575 374 HD2 PRO 51 2HD PRO 51 -2.094 11.738 3.761 375 HD3 PRO 51 1HD PRO 51 -0.735 12.189 2.715 376 H ILE 52 H ILE 52 -1.445 10.429 6.283 377 HA ILE 52 HA ILE 52 -2.040 11.554 8.956 378 HB ILE 52 HB ILE 52 -3.902 9.997 7.141 379 HG12 ILE 52 2HG1 ILE 52 -3.907 12.953 7.821 380 HG13 ILE 52 1HG1 ILE 52 -3.388 12.270 6.284 381 HG21 ILE 52 1HG2 ILE 52 -4.443 11.393 9.767 382 HG22 ILE 52 2HG2 ILE 52 -4.402 9.651 9.503 383 HG23 ILE 52 3HG2 ILE 52 -5.656 10.627 8.742 384 HD11 ILE 52 3HD1 ILE 52 -5.644 11.441 5.885 385 HD12 ILE 52 1HD1 ILE 52 -5.636 13.185 6.147 386 HD13 ILE 52 2HD1 ILE 52 -6.167 12.103 7.434 387 H GLU 53 H GLU 53 -0.654 10.256 10.203 388 HA GLU 53 HA GLU 53 -0.288 7.484 9.900 389 HB2 GLU 53 2HB GLU 53 0.059 9.280 12.299 390 HB3 GLU 53 1HB GLU 53 0.436 7.565 12.349 391 HG2 GLU 53 2HG GLU 53 2.026 7.943 10.447 392 HG3 GLU 53 1HG GLU 53 1.742 9.673 10.640 393 H ALA 54 H ALA 54 -2.892 9.245 11.377 394 HA ALA 54 HA ALA 54 -3.983 7.301 13.067 395 HB1 ALA 54 3HB ALA 54 -6.099 8.495 12.821 396 HB2 ALA 54 1HB ALA 54 -5.466 9.350 11.415 397 HB3 ALA 54 2HB ALA 54 -4.757 9.623 13.007 398 H ARG 55 H ARG 55 -3.968 7.472 9.592 399 HA ARG 55 HA ARG 55 -6.002 5.410 9.283 400 HE ARG 55 HE ARG 55 -9.263 7.575 8.495 401 HB2 ARG 55 2HB ARG 55 -4.321 6.988 7.336 402 HB3 ARG 55 1HB ARG 55 -5.330 5.645 6.813 403 HG2 ARG 55 2HG ARG 55 -6.411 8.009 8.343 404 HG3 ARG 55 1HG ARG 55 -6.344 7.945 6.580 405 HD2 ARG 55 2HD ARG 55 -7.799 6.032 6.531 406 HD3 ARG 55 1HD ARG 55 -7.729 5.871 8.283 407 HH11 ARG 55 1HH1 ARG 55 -8.205 7.437 5.211 408 HH12 ARG 55 2HH1 ARG 55 -9.519 8.399 4.636 409 HH21 ARG 55 1HH2 ARG 55 -10.948 8.786 7.729 410 HH22 ARG 55 2HH2 ARG 55 -11.041 9.158 6.040 411 H TYR 56 H TYR 56 -2.612 5.543 9.725 412 HA TYR 56 HA TYR 56 -2.049 3.015 8.409 413 HD1 TYR 56 HD2 TYR 56 -1.054 6.673 8.485 414 HD2 TYR 56 HD1 TYR 56 0.963 3.159 7.181 415 HE1 TYR 56 HE2 TYR 56 -0.453 7.804 6.390 416 HE2 TYR 56 HE1 TYR 56 1.573 4.285 5.082 417 HH TYR 56 HH TYR 56 1.225 7.642 4.641 418 HB2 TYR 56 2HB TYR 56 -0.342 4.865 10.083 419 HB3 TYR 56 1HB TYR 56 0.242 3.335 9.436 420 H ALA 57 H ALA 57 -2.914 1.279 9.382 421 HA ALA 57 HA ALA 57 -2.966 0.964 12.254 422 HB1 ALA 57 3HB ALA 57 -3.941 -1.226 11.790 423 HB2 ALA 57 1HB ALA 57 -3.572 -1.042 10.075 424 HB3 ALA 57 2HB ALA 57 -4.748 0.025 10.844 425 H LYS 58 H LYS 58 -0.968 0.770 13.169 426 HA LYS 58 HA LYS 58 1.037 -0.935 11.875 427 HB2 LYS 58 2HB LYS 58 2.625 0.030 13.579 428 HB3 LYS 58 1HB LYS 58 1.961 1.184 12.437 429 HG2 LYS 58 2HG LYS 58 0.629 0.851 15.092 430 HG3 LYS 58 1HG LYS 58 2.143 1.748 14.997 431 HD2 LYS 58 2HD LYS 58 -0.315 2.360 13.341 432 HD3 LYS 58 1HD LYS 58 0.104 3.182 14.842 433 HE2 LYS 58 2HE LYS 58 1.798 3.122 12.339 434 HE3 LYS 58 1HE LYS 58 0.778 4.466 12.852 435 HZ1 LYS 58 3HZ LYS 58 2.123 4.594 14.893 436 HZ2 LYS 58 1HZ LYS 58 3.027 4.884 13.497 437 HZ3 LYS 58 2HZ LYS 58 3.145 3.397 14.284 438 H GLU 59 H GLU 59 1.055 -2.984 12.427 439 HA GLU 59 HA GLU 59 0.423 -3.765 15.207 440 HB2 GLU 59 2HB GLU 59 -0.476 -5.153 12.663 441 HB3 GLU 59 1HB GLU 59 -0.752 -5.750 14.295 442 HG2 GLU 59 2HG GLU 59 -2.181 -3.888 14.805 443 HG3 GLU 59 1HG GLU 59 -1.788 -3.113 13.270 444 H VAL 60 H VAL 60 1.202 -5.994 15.744 445 HA VAL 60 HA VAL 60 3.777 -6.542 14.405 446 HB VAL 60 HB VAL 60 2.993 -7.131 17.272 447 HG11 VAL 60 1HG1 VAL 60 5.616 -7.557 15.832 448 HG12 VAL 60 2HG1 VAL 60 4.528 -8.816 16.415 449 HG13 VAL 60 3HG1 VAL 60 5.358 -7.767 17.564 450 HG21 VAL 60 3HG2 VAL 60 4.881 -5.064 16.124 451 HG22 VAL 60 1HG2 VAL 60 4.686 -5.420 17.840 452 HG23 VAL 60 2HG2 VAL 60 3.340 -4.753 16.920 453 H ALA 61 H ALA 61 4.086 -8.467 13.488 454 HA ALA 61 HA ALA 61 1.976 -10.382 13.302 455 HB1 ALA 61 3HB ALA 61 3.526 -11.656 11.905 456 HB2 ALA 61 1HB ALA 61 4.849 -10.594 12.390 457 HB3 ALA 61 2HB ALA 61 3.506 -9.955 11.441 458 H LYS 62 H LYS 62 2.356 -12.753 13.709 459 HA LYS 62 HA LYS 62 2.743 -13.110 16.487 460 HB2 LYS 62 2HB LYS 62 2.436 -15.135 14.263 461 HB3 LYS 62 1HB LYS 62 2.501 -15.569 15.965 462 HG2 LYS 62 2HG LYS 62 0.213 -15.539 15.358 463 HG3 LYS 62 1HG LYS 62 0.492 -14.088 16.321 464 HD2 LYS 62 2HD LYS 62 0.626 -12.751 14.259 465 HD3 LYS 62 1HD LYS 62 0.358 -14.207 13.300 466 HE2 LYS 62 2HE LYS 62 -1.845 -14.482 14.411 467 HE3 LYS 62 1HE LYS 62 -1.573 -12.960 15.259 468 HZ1 LYS 62 3HZ LYS 62 -1.733 -13.288 12.308 469 HZ2 LYS 62 1HZ LYS 62 -1.494 -11.825 13.125 470 HZ3 LYS 62 2HZ LYS 62 -2.952 -12.665 13.296 471 H ASN 63 H ASN 63 4.936 -13.334 13.827 472 HA ASN 63 HA ASN 63 6.987 -14.791 15.257 473 HB2 ASN 63 2HB ASN 63 7.179 -13.138 12.725 474 HB3 ASN 63 1HB ASN 63 8.425 -14.219 13.337 475 HD21 ASN 63 1HD2 ASN 63 7.049 -14.260 10.797 476 HD22 ASN 63 2HD2 ASN 63 6.295 -15.805 10.682 477 H ASP 64 H ASP 64 5.816 -11.986 16.119 478 HA ASP 64 HA ASP 64 6.548 -10.127 17.197 479 HB2 ASP 64 2HB ASP 64 9.175 -11.632 17.240 480 HB3 ASP 64 1HB ASP 64 8.874 -10.139 18.125 481 H LYS 65 H LYS 65 6.674 -10.373 14.271 482 HA LYS 65 HA LYS 65 8.789 -8.451 13.570 483 HB2 LYS 65 2HB LYS 65 7.019 -10.203 11.851 484 HB3 LYS 65 1HB LYS 65 8.137 -9.010 11.204 485 HG2 LYS 65 2HG LYS 65 10.012 -10.216 12.242 486 HG3 LYS 65 1HG LYS 65 8.882 -11.428 12.852 487 HD2 LYS 65 2HD LYS 65 8.303 -12.110 10.626 488 HD3 LYS 65 1HD LYS 65 9.196 -10.765 9.920 489 HE2 LYS 65 2HE LYS 65 11.289 -11.741 10.869 490 HE3 LYS 65 1HE LYS 65 10.344 -13.130 11.404 491 HZ1 LYS 65 3HZ LYS 65 11.444 -13.566 9.299 492 HZ2 LYS 65 1HZ LYS 65 10.667 -12.244 8.586 493 HZ3 LYS 65 2HZ LYS 65 9.766 -13.577 9.101 494 HA PRO 66 HA PRO 66 5.379 -5.461 13.744 495 HB2 PRO 66 2HB PRO 66 6.916 -3.233 13.540 496 HB3 PRO 66 1HB PRO 66 6.749 -4.147 15.043 497 HG2 PRO 66 2HG PRO 66 8.959 -4.231 13.014 498 HG3 PRO 66 1HG PRO 66 9.068 -4.190 14.785 499 HD2 PRO 66 2HD PRO 66 9.335 -6.483 13.354 500 HD3 PRO 66 1HD PRO 66 8.644 -6.450 14.989 501 H TYR 67 H TYR 67 4.158 -4.654 12.150 502 HA TYR 67 HA TYR 67 5.348 -3.713 9.645 503 HD1 TYR 67 HD2 TYR 67 3.859 -7.175 11.287 504 HD2 TYR 67 HD1 TYR 67 1.359 -5.038 8.580 505 HE1 TYR 67 HE2 TYR 67 1.885 -8.296 12.229 506 HE2 TYR 67 HE1 TYR 67 -0.619 -6.152 9.524 507 HH TYR 67 HH TYR 67 -0.605 -7.778 12.427 508 HB2 TYR 67 2HB TYR 67 3.729 -4.989 8.292 509 HB3 TYR 67 1HB TYR 67 4.772 -6.062 9.217 510 H PHE 68 H PHE 68 3.275 -2.918 8.208 511 HA PHE 68 HA PHE 68 1.233 -1.730 9.905 512 HD1 PHE 68 HD2 PHE 68 5.082 -0.700 8.674 513 HD2 PHE 68 HD1 PHE 68 1.729 1.283 6.939 514 HE1 PHE 68 HE2 PHE 68 6.465 -0.035 6.749 515 HE2 PHE 68 HE1 PHE 68 3.113 1.944 5.021 516 HZ PHE 68 HZ PHE 68 5.482 1.288 4.924 517 HB2 PHE 68 2HB PHE 68 1.649 0.565 9.208 518 HB3 PHE 68 1HB PHE 68 3.067 -0.089 10.014 519 H ASN 69 H ASN 69 -0.671 -1.499 8.919 520 HA ASN 69 HA ASN 69 -0.781 -1.753 5.979 521 HB2 ASN 69 2HB ASN 69 -2.798 -2.630 8.068 522 HB3 ASN 69 1HB ASN 69 -3.099 -2.648 6.332 523 HD21 ASN 69 1HD2 ASN 69 -3.373 -4.850 6.238 524 HD22 ASN 69 2HD2 ASN 69 -2.074 -5.964 6.436 525 H LEU 70 H LEU 70 -2.303 -0.465 4.856 526 HA LEU 70 HA LEU 70 -3.146 1.951 6.323 527 HG LEU 70 HG LEU 70 -4.097 3.499 3.746 528 HB2 LEU 70 2HB LEU 70 -1.437 2.303 4.562 529 HB3 LEU 70 1HB LEU 70 -2.537 1.632 3.375 530 HD11 LEU 70 1HD1 LEU 70 -3.609 3.982 6.072 531 HD12 LEU 70 2HD1 LEU 70 -3.399 5.432 5.094 532 HD13 LEU 70 3HD1 LEU 70 -1.987 4.529 5.646 533 HD21 LEU 70 3HD2 LEU 70 -2.751 5.260 2.714 534 HD22 LEU 70 1HD2 LEU 70 -2.394 3.689 2.000 535 HD23 LEU 70 2HD2 LEU 70 -1.274 4.405 3.157 536 H LYS 71 H LYS 71 -5.255 2.513 6.327 537 HA LYS 71 HA LYS 71 -7.119 0.832 4.764 538 HB2 LYS 71 2HB LYS 71 -7.440 1.868 7.592 539 HB3 LYS 71 1HB LYS 71 -8.685 1.012 6.692 540 HG2 LYS 71 2HG LYS 71 -7.219 -0.966 6.580 541 HG3 LYS 71 1HG LYS 71 -6.005 -0.102 7.528 542 HD2 LYS 71 2HD LYS 71 -7.601 0.105 9.382 543 HD3 LYS 71 1HD LYS 71 -8.818 -0.753 8.434 544 HE2 LYS 71 2HE LYS 71 -7.301 -2.718 8.357 545 HE3 LYS 71 1HE LYS 71 -6.178 -1.857 9.410 546 HZ1 LYS 71 3HZ LYS 71 -7.593 -3.386 10.647 547 HZ2 LYS 71 1HZ LYS 71 -8.977 -2.578 10.101 548 HZ3 LYS 71 2HZ LYS 71 -7.881 -1.788 11.114 549 H ALA 72 H ALA 72 -8.916 1.775 3.877 550 HA ALA 72 HA ALA 72 -8.981 4.647 3.561 551 HB1 ALA 72 3HB ALA 72 -9.541 3.125 1.705 552 HB2 ALA 72 1HB ALA 72 -10.856 4.245 2.063 553 HB3 ALA 72 2HB ALA 72 -10.955 2.568 2.601 554 H ALA 73 H ALA 73 -11.413 5.611 3.675 555 HA ALA 73 HA ALA 73 -12.020 6.004 6.361 556 HB1 ALA 73 3HB ALA 73 -13.892 6.333 4.015 557 HB2 ALA 73 1HB ALA 73 -12.703 7.518 4.559 558 HB3 ALA 73 2HB ALA 73 -14.061 7.091 5.601 559 H ASN 74 H ASN 74 -13.494 3.677 4.108 560 HA ASN 74 HA ASN 74 -15.413 2.683 5.994 561 HB2 ASN 74 2HB ASN 74 -15.559 2.535 3.452 562 HB3 ASN 74 1HB ASN 74 -14.382 1.232 3.546 563 HD21 ASN 74 1HD2 ASN 74 -15.022 -0.762 4.420 564 HD22 ASN 74 2HD2 ASN 74 -16.685 -1.168 4.627 565 H HIS 75 H HIS 75 -12.167 2.486 6.063 566 HA HIS 75 HA HIS 75 -10.704 1.370 7.393 567 HD1 HIS 75 HD1 HIS 75 -10.662 2.011 10.259 568 HD2 HIS 75 HD2 HIS 75 -14.673 2.007 9.170 569 HE1 HIS 75 HE1 HIS 75 -11.698 3.923 11.507 570 HE2 HIS 75 HE2 HIS 75 -14.152 3.773 10.987 571 HB2 HIS 75 2HB HIS 75 -13.141 -0.137 8.378 572 HB3 HIS 75 1HB HIS 75 -11.538 -0.222 9.101 573 H GLN 76 H GLN 76 -11.656 0.434 4.717 574 HA GLN 76 HA GLN 76 -11.162 -2.415 4.682 575 HB2 GLN 76 2HB GLN 76 -11.516 -2.234 2.295 576 HB3 GLN 76 1HB GLN 76 -12.741 -1.276 3.118 577 HG2 GLN 76 2HG GLN 76 -11.133 0.708 2.736 578 HG3 GLN 76 1HG GLN 76 -10.358 -0.342 1.555 579 HE21 GLN 76 1HE2 GLN 76 -13.113 1.581 2.299 580 HE22 GLN 76 2HE2 GLN 76 -13.871 1.470 0.750 581 H ILE 77 H ILE 77 -9.316 -3.437 3.762 582 HA ILE 77 HA ILE 77 -6.841 -2.071 4.160 583 HB ILE 77 HB ILE 77 -7.387 -4.758 2.880 584 HG12 ILE 77 2HG1 ILE 77 -8.029 -4.605 5.259 585 HG13 ILE 77 1HG1 ILE 77 -6.659 -5.684 5.031 586 HG21 ILE 77 1HG2 ILE 77 -4.985 -5.213 3.235 587 HG22 ILE 77 2HG2 ILE 77 -4.756 -3.536 3.730 588 HG23 ILE 77 3HG2 ILE 77 -5.261 -3.908 2.082 589 HD11 ILE 77 3HD1 ILE 77 -5.150 -3.910 5.788 590 HD12 ILE 77 1HD1 ILE 77 -6.365 -4.317 7.000 591 HD13 ILE 77 2HD1 ILE 77 -6.538 -2.848 6.038 592 H ILE 78 H ILE 78 -6.053 -0.588 2.818 593 HA ILE 78 HA ILE 78 -6.235 -1.067 -0.093 594 HB ILE 78 HB ILE 78 -5.897 1.355 -0.418 595 HG12 ILE 78 2HG1 ILE 78 -6.145 1.498 2.600 596 HG13 ILE 78 1HG1 ILE 78 -4.693 1.846 1.669 597 HG21 ILE 78 1HG2 ILE 78 -8.134 2.070 0.289 598 HG22 ILE 78 2HG2 ILE 78 -8.244 0.671 1.360 599 HG23 ILE 78 3HG2 ILE 78 -8.160 0.440 -0.388 600 HD11 ILE 78 3HD1 ILE 78 -5.778 3.878 2.387 601 HD12 ILE 78 1HD1 ILE 78 -7.269 3.398 1.582 602 HD13 ILE 78 2HD1 ILE 78 -5.824 3.747 0.629 603 H GLY 79 H GLY 79 -4.115 -1.047 2.534 604 HA2 GLY 79 2HA GLY 79 -1.905 -1.545 0.697 605 HA3 GLY 79 1HA GLY 79 -1.688 -0.176 1.773 606 H THR 80 H THR 80 -0.519 -3.054 1.452 607 HA THR 80 HA THR 80 -0.334 -3.500 4.369 608 HB THR 80 HB THR 80 -0.453 -5.705 2.283 609 HG1 THR 80 HG1 THR 80 -2.533 -5.532 2.606 610 HG21 THR 80 3HG2 THR 80 1.034 -6.285 4.133 611 HG22 THR 80 1HG2 THR 80 -0.452 -7.231 4.221 612 HG23 THR 80 2HG2 THR 80 -0.221 -5.852 5.298 613 H SER 81 H SER 81 1.747 -3.426 5.080 614 HA SER 81 HA SER 81 3.913 -3.578 3.099 615 HG SER 81 HG SER 81 3.313 -2.048 6.580 616 HB2 SER 81 2HB SER 81 5.363 -2.711 4.905 617 HB3 SER 81 1HB SER 81 3.969 -1.669 4.629 618 H GLN 82 H GLN 82 5.914 -4.764 3.681 619 HA GLN 82 HA GLN 82 5.259 -7.446 4.558 620 HB2 GLN 82 2HB GLN 82 7.835 -6.253 3.514 621 HB3 GLN 82 1HB GLN 82 7.607 -7.957 3.891 622 HG2 GLN 82 2HG GLN 82 5.880 -8.126 2.187 623 HG3 GLN 82 1HG GLN 82 6.041 -6.406 1.831 624 HE21 GLN 82 1HE2 GLN 82 7.856 -5.687 0.728 625 HE22 GLN 82 2HE2 GLN 82 8.904 -6.757 -0.129 626 H MET 83 H MET 83 5.841 -8.416 6.403 627 HA MET 83 HA MET 83 6.298 -7.065 8.749 628 HB2 MET 83 2HB MET 83 7.111 -9.909 8.109 629 HB3 MET 83 1HB MET 83 6.899 -9.247 9.724 630 HG2 MET 83 2HG MET 83 4.551 -8.945 9.361 631 HG3 MET 83 1HG MET 83 4.708 -9.391 7.665 632 HE1 MET 83 3HE MET 83 6.781 -11.873 7.897 633 HE2 MET 83 1HE MET 83 5.367 -11.836 6.841 634 HE3 MET 83 2HE MET 83 5.622 -13.204 7.923 635 H TYR 84 H TYR 84 7.950 -5.890 9.444 636 HA TYR 84 HA TYR 84 10.649 -6.303 8.407 637 HD1 TYR 84 HD2 TYR 84 11.371 -3.758 7.075 638 HD2 TYR 84 HD1 TYR 84 7.621 -3.486 9.081 639 HE1 TYR 84 HE2 TYR 84 10.437 -2.531 5.159 640 HE2 TYR 84 HE1 TYR 84 6.682 -2.262 7.169 641 HH TYR 84 HH TYR 84 8.197 -2.098 4.165 642 HB2 TYR 84 2HB TYR 84 9.597 -4.166 10.287 643 HB3 TYR 84 1HB TYR 84 11.176 -4.178 9.512 644 H SER 85 H SER 85 12.509 -6.157 10.001 645 HA SER 85 HA SER 85 12.042 -8.072 12.153 646 HG SER 85 HG SER 85 15.362 -7.903 12.932 647 HB2 SER 85 2HB SER 85 13.988 -8.342 10.621 648 HB3 SER 85 1HB SER 85 14.663 -6.843 11.255 649 H SER 86 H SER 86 12.404 -4.672 11.838 650 HA SER 86 HA SER 86 12.506 -4.393 14.768 651 HG SER 86 HG SER 86 14.627 -2.972 11.940 652 HB2 SER 86 2HB SER 86 14.111 -2.579 14.648 653 HB3 SER 86 1HB SER 86 14.790 -3.975 13.813 654 H THR 87 H THR 87 11.601 -2.417 15.591 655 HA THR 87 HA THR 87 9.305 -1.481 14.210 656 HB THR 87 HB THR 87 9.134 0.218 16.023 657 HG1 THR 87 HG1 THR 87 10.724 0.259 17.636 658 HG21 THR 87 3HG2 THR 87 9.787 -2.573 16.992 659 HG22 THR 87 1HG2 THR 87 8.226 -2.034 16.374 660 HG23 THR 87 2HG2 THR 87 8.857 -1.366 17.878 661 H ALA 88 H ALA 88 12.554 -0.170 14.639 662 HA ALA 88 HA ALA 88 12.245 2.361 13.524 663 HB1 ALA 88 3HB ALA 88 14.293 1.624 14.637 664 HB2 ALA 88 1HB ALA 88 14.640 2.275 13.034 665 HB3 ALA 88 2HB ALA 88 14.639 0.530 13.296 666 H ALA 89 H ALA 89 12.912 -0.734 11.895 667 HA ALA 89 HA ALA 89 13.044 0.279 9.260 668 HB1 ALA 89 3HB ALA 89 12.210 -2.478 10.176 669 HB2 ALA 89 1HB ALA 89 13.863 -1.948 9.861 670 HB3 ALA 89 2HB ALA 89 12.698 -2.035 8.541 671 H ARG 90 H ARG 90 10.318 -0.872 11.206 672 HA ARG 90 HA ARG 90 8.303 -0.783 9.239 673 HE ARG 90 HE ARG 90 6.656 1.028 13.221 674 HB2 ARG 90 2HB ARG 90 7.949 -1.856 11.396 675 HB3 ARG 90 1HB ARG 90 8.149 -0.319 12.227 676 HG2 ARG 90 2HG ARG 90 6.113 0.463 10.856 677 HG3 ARG 90 1HG ARG 90 5.848 -1.255 10.537 678 HD2 ARG 90 2HD ARG 90 4.550 -0.482 12.471 679 HD3 ARG 90 1HD ARG 90 5.744 -1.697 12.936 680 HH11 ARG 90 1HH1 ARG 90 4.976 -1.547 14.790 681 HH12 ARG 90 2HH1 ARG 90 5.370 -0.972 16.369 682 HH21 ARG 90 1HH2 ARG 90 7.134 1.752 15.233 683 HH22 ARG 90 2HH2 ARG 90 6.570 0.874 16.620 684 H ASP 91 H ASP 91 9.090 1.668 11.730 685 HA ASP 91 HA ASP 91 7.419 3.687 10.726 686 HB2 ASP 91 2HB ASP 91 9.875 3.755 12.476 687 HB3 ASP 91 1HB ASP 91 9.002 5.225 12.047 688 H ASN 92 H ASN 92 10.772 2.869 9.945 689 HA ASN 92 HA ASN 92 11.426 5.026 8.297 690 HB2 ASN 92 2HB ASN 92 13.031 3.272 8.970 691 HB3 ASN 92 1HB ASN 92 12.194 2.110 7.946 692 HD21 ASN 92 1HD2 ASN 92 13.979 1.714 6.675 693 HD22 ASN 92 2HD2 ASN 92 14.613 2.878 5.565 694 H GLY 93 H GLY 93 9.716 2.008 7.515 695 HA2 GLY 93 2HA GLY 93 9.219 2.505 4.792 696 HA3 GLY 93 1HA GLY 93 8.225 1.501 5.840 697 H ILE 94 H ILE 94 7.132 3.169 7.616 698 HA ILE 94 HA ILE 94 4.998 4.382 6.323 699 HB ILE 94 HB ILE 94 6.107 5.091 9.052 700 HG12 ILE 94 2HG1 ILE 94 3.989 3.077 8.235 701 HG13 ILE 94 1HG1 ILE 94 5.610 2.694 8.805 702 HG21 ILE 94 1HG2 ILE 94 3.812 5.843 9.565 703 HG22 ILE 94 2HG2 ILE 94 3.358 5.567 7.884 704 HG23 ILE 94 3HG2 ILE 94 4.558 6.796 8.282 705 HD11 ILE 94 3HD1 ILE 94 3.962 2.371 10.550 706 HD12 ILE 94 1HD1 ILE 94 3.449 4.053 10.403 707 HD13 ILE 94 2HD1 ILE 94 5.075 3.672 10.976 708 H LYS 95 H LYS 95 7.946 5.944 7.576 709 HA LYS 95 HA LYS 95 7.418 8.578 6.810 710 HB2 LYS 95 2HB LYS 95 10.060 7.100 6.906 711 HB3 LYS 95 1HB LYS 95 9.900 8.848 6.784 712 HG2 LYS 95 2HG LYS 95 8.858 8.956 8.957 713 HG3 LYS 95 1HG LYS 95 8.836 7.196 9.072 714 HD2 LYS 95 2HD LYS 95 10.666 8.194 10.389 715 HD3 LYS 95 1HD LYS 95 11.266 7.134 9.114 716 HE2 LYS 95 2HE LYS 95 12.565 9.231 9.312 717 HE3 LYS 95 1HE LYS 95 11.812 9.045 7.728 718 HZ1 LYS 95 3HZ LYS 95 10.779 10.721 9.951 719 HZ2 LYS 95 1HZ LYS 95 10.052 10.545 8.435 720 HZ3 LYS 95 2HZ LYS 95 11.561 11.288 8.565 721 H SER 96 H SER 96 8.967 5.952 4.988 722 HA SER 96 HA SER 96 9.452 7.377 2.608 723 HG SER 96 HG SER 96 10.734 4.810 4.087 724 HB2 SER 96 2HB SER 96 8.917 4.411 2.972 725 HB3 SER 96 1HB SER 96 9.616 5.153 1.532 726 H VAL 97 H VAL 97 6.552 5.747 3.796 727 HA VAL 97 HA VAL 97 5.066 5.918 1.364 728 HB VAL 97 HB VAL 97 3.868 5.912 4.132 729 HG11 VAL 97 1HG1 VAL 97 2.013 4.728 3.036 730 HG12 VAL 97 2HG1 VAL 97 2.852 4.859 1.490 731 HG13 VAL 97 3HG1 VAL 97 2.296 6.313 2.317 732 HG21 VAL 97 3HG2 VAL 97 4.790 3.527 2.546 733 HG22 VAL 97 1HG2 VAL 97 3.895 3.474 4.065 734 HG23 VAL 97 2HG2 VAL 97 5.530 4.133 4.025 735 H MET 98 H MET 98 5.477 8.078 4.141 736 HA MET 98 HA MET 98 3.563 10.017 3.364 737 HB2 MET 98 2HB MET 98 6.080 10.342 5.020 738 HB3 MET 98 1HB MET 98 4.818 11.556 4.869 739 HG2 MET 98 2HG MET 98 3.208 9.979 5.867 740 HG3 MET 98 1HG MET 98 4.510 8.807 6.067 741 HE1 MET 98 3HE MET 98 4.320 12.870 8.260 742 HE2 MET 98 1HE MET 98 3.085 12.296 7.140 743 HE3 MET 98 2HE MET 98 4.686 12.728 6.540 744 H GLU 99 H GLU 99 6.916 9.492 2.456 745 HA GLU 99 HA GLU 99 7.176 11.968 1.006 746 HB2 GLU 99 2HB GLU 99 9.147 10.882 1.953 747 HB3 GLU 99 1HB GLU 99 8.872 9.461 0.953 748 HG2 GLU 99 2HG GLU 99 9.247 10.820 -1.064 749 HG3 GLU 99 1HG GLU 99 9.555 12.225 -0.047 750 H ASN 100 H ASN 100 6.726 8.562 0.006 751 HA ASN 100 HA ASN 100 6.572 9.387 -2.792 752 HB2 ASN 100 2HB ASN 100 6.544 6.623 -1.556 753 HB3 ASN 100 1HB ASN 100 6.555 6.958 -3.286 754 HD21 ASN 100 1HD2 ASN 100 8.410 6.930 -0.372 755 HD22 ASN 100 2HD2 ASN 100 9.946 7.192 -1.106 756 H GLY 101 H GLY 101 4.413 8.241 -0.278 757 HA2 GLY 101 2HA GLY 101 2.324 7.230 -1.873 758 HA3 GLY 101 1HA GLY 101 2.155 7.821 -0.231 759 H LYS 102 H LYS 102 3.310 10.464 -1.552 760 HA LYS 102 HA LYS 102 0.692 11.598 -2.121 761 HB2 LYS 102 2HB LYS 102 1.852 13.757 -2.097 762 HB3 LYS 102 1HB LYS 102 2.255 12.816 -0.663 763 HG2 LYS 102 2HG LYS 102 4.390 12.180 -1.653 764 HG3 LYS 102 1HG LYS 102 3.985 13.062 -3.125 765 HD2 LYS 102 2HD LYS 102 5.483 14.392 -1.778 766 HD3 LYS 102 1HD LYS 102 3.896 15.157 -1.811 767 HE2 LYS 102 2HE LYS 102 3.397 14.286 0.401 768 HE3 LYS 102 1HE LYS 102 4.923 13.403 0.426 769 HZ1 LYS 102 3HZ LYS 102 5.063 15.458 1.681 770 HZ2 LYS 102 1HZ LYS 102 4.640 16.358 0.316 771 HZ3 LYS 102 2HZ LYS 102 6.100 15.508 0.350 772 H THR 103 H THR 103 2.600 9.845 -4.011 773 HA THR 103 HA THR 103 2.970 11.591 -6.278 774 HB THR 103 HB THR 103 4.543 9.747 -5.952 775 HG1 THR 103 HG1 THR 103 4.672 9.304 -8.076 776 HG21 THR 103 3HG2 THR 103 2.187 7.932 -6.514 777 HG22 THR 103 1HG2 THR 103 3.018 8.093 -4.966 778 HG23 THR 103 2HG2 THR 103 3.868 7.421 -6.359 779 H THR 104 H THR 104 1.828 11.696 -8.160 780 HA THR 104 HA THR 104 -0.769 10.306 -8.257 781 HB THR 104 HB THR 104 -1.314 11.922 -10.103 782 HG1 THR 104 HG1 THR 104 0.884 12.447 -10.670 783 HG21 THR 104 3HG2 THR 104 -1.608 13.881 -8.631 784 HG22 THR 104 1HG2 THR 104 -0.515 13.150 -7.455 785 HG23 THR 104 2HG2 THR 104 -2.057 12.380 -7.823 786 H THR 105 H THR 105 2.225 9.627 -9.185 787 HA THR 105 HA THR 105 1.841 8.973 -11.970 788 HB THR 105 HB THR 105 4.089 8.120 -10.121 789 HG1 THR 105 HG1 THR 105 4.166 10.238 -12.020 790 HG21 THR 105 3HG2 THR 105 3.920 8.205 -13.142 791 HG22 THR 105 1HG2 THR 105 3.951 6.749 -12.146 792 HG23 THR 105 2HG2 THR 105 5.361 7.808 -12.205 793 H ILE 106 H ILE 106 0.345 7.427 -12.361 794 HA ILE 106 HA ILE 106 0.558 4.874 -10.879 795 HB ILE 106 HB ILE 106 -1.864 5.928 -12.368 796 HG12 ILE 106 2HG1 ILE 106 -1.362 5.804 -9.374 797 HG13 ILE 106 1HG1 ILE 106 -1.331 7.274 -10.342 798 HG21 ILE 106 1HG2 ILE 106 -3.062 4.094 -11.241 799 HG22 ILE 106 2HG2 ILE 106 -1.542 3.540 -10.534 800 HG23 ILE 106 3HG2 ILE 106 -1.772 3.489 -12.283 801 HD11 ILE 106 3HD1 ILE 106 -3.723 5.499 -9.904 802 HD12 ILE 106 1HD1 ILE 106 -3.696 6.971 -10.877 803 HD13 ILE 106 2HD1 ILE 106 -3.423 7.057 -9.137 804 H LYS 107 H LYS 107 1.658 3.422 -12.040 805 HA LYS 107 HA LYS 107 1.604 3.401 -14.946 806 HB2 LYS 107 2HB LYS 107 3.054 1.697 -12.910 807 HB3 LYS 107 1HB LYS 107 3.173 1.434 -14.644 808 HG2 LYS 107 2HG LYS 107 4.200 3.574 -14.967 809 HG3 LYS 107 1HG LYS 107 3.918 4.019 -13.284 810 HD2 LYS 107 2HD LYS 107 6.259 3.334 -13.724 811 HD3 LYS 107 1HD LYS 107 5.461 2.316 -12.526 812 HE2 LYS 107 2HE LYS 107 6.782 0.971 -14.077 813 HE3 LYS 107 1HE LYS 107 5.066 0.607 -14.237 814 HZ1 LYS 107 3HZ LYS 107 4.971 1.959 -16.206 815 HZ2 LYS 107 1HZ LYS 107 6.194 0.806 -16.381 816 HZ3 LYS 107 2HZ LYS 107 6.590 2.415 -16.035 817 H ASP 108 H ASP 108 -0.197 2.528 -15.869 818 HA ASP 108 HA ASP 108 -1.564 0.273 -14.679 819 HB2 ASP 108 2HB ASP 108 -2.747 2.092 -15.966 820 HB3 ASP 108 1HB ASP 108 -2.016 1.452 -17.435 821 H LEU 109 H LEU 109 -0.614 -1.660 -14.769 822 HA LEU 109 HA LEU 109 0.888 -2.458 -17.167 823 HG LEU 109 HG LEU 109 1.836 -1.688 -14.164 824 HB2 LEU 109 2HB LEU 109 0.709 -3.853 -14.491 825 HB3 LEU 109 1HB LEU 109 1.815 -4.238 -15.799 826 HD11 LEU 109 1HD1 LEU 109 2.593 -3.641 -12.902 827 HD12 LEU 109 2HD1 LEU 109 3.926 -2.541 -13.244 828 HD13 LEU 109 3HD1 LEU 109 3.748 -4.026 -14.180 829 HD21 LEU 109 3HD2 LEU 109 2.573 -1.294 -16.461 830 HD22 LEU 109 1HD2 LEU 109 3.721 -2.626 -16.329 831 HD23 LEU 109 2HD2 LEU 109 3.923 -1.186 -15.334 832 H THR 110 H THR 110 -2.223 -2.615 -16.219 833 HA THR 110 HA THR 110 -2.726 -5.456 -16.457 834 HB THR 110 HB THR 110 -5.005 -5.004 -15.987 835 HG1 THR 110 HG1 THR 110 -4.517 -2.236 -16.533 836 HG21 THR 110 3HG2 THR 110 -3.529 -4.607 -14.071 837 HG22 THR 110 1HG2 THR 110 -4.940 -3.550 -14.015 838 HG23 THR 110 2HG2 THR 110 -3.378 -2.911 -14.533 839 H LEU 111 H LEU 111 -2.932 -2.663 -18.566 840 HA LEU 111 HA LEU 111 -4.614 -3.628 -20.567 841 HG LEU 111 HG LEU 111 -3.921 -0.849 -19.375 842 HB2 LEU 111 2HB LEU 111 -2.192 -1.840 -20.838 843 HB3 LEU 111 1HB LEU 111 -3.397 -2.076 -22.092 844 HD11 LEU 111 1HD1 LEU 111 -3.739 0.439 -22.098 845 HD12 LEU 111 2HD1 LEU 111 -2.562 0.599 -20.794 846 HD13 LEU 111 3HD1 LEU 111 -4.189 1.248 -20.598 847 HD21 LEU 111 3HD2 LEU 111 -6.121 -0.277 -20.303 848 HD22 LEU 111 1HD2 LEU 111 -5.879 -2.024 -20.231 849 HD23 LEU 111 2HD2 LEU 111 -5.734 -1.175 -21.771 850 H GLU 112 H GLU 112 -1.067 -3.515 -21.016 851 HA GLU 112 HA GLU 112 -1.276 -5.731 -22.905 852 HB2 GLU 112 2HB GLU 112 0.801 -3.650 -22.327 853 HB3 GLU 112 1HB GLU 112 1.259 -5.115 -23.187 854 HG2 GLU 112 2HG GLU 112 -0.931 -3.230 -24.050 855 HG3 GLU 112 1HG GLU 112 0.720 -3.222 -24.676 856 H HIS 113 H HIS 113 0.171 -7.503 -22.928 857 HA HIS 113 HA HIS 113 0.610 -8.787 -20.437 858 HD1 HIS 113 HD1 HIS 113 0.284 -12.126 -21.174 859 HD2 HIS 113 HD2 HIS 113 4.062 -10.569 -21.929 860 HE1 HIS 113 HE1 HIS 113 1.901 -13.889 -20.418 861 HE2 HIS 113 HE2 HIS 113 4.170 -12.984 -21.019 862 HB2 HIS 113 2HB HIS 113 0.201 -10.018 -22.530 863 HB3 HIS 113 1HB HIS 113 1.716 -9.421 -23.189 864 H HIS 114 H HIS 114 1.899 -7.370 -19.190 865 HA HIS 114 HA HIS 114 4.482 -6.511 -20.129 866 HD1 HIS 114 HD1 HIS 114 1.155 -4.991 -18.701 867 HD2 HIS 114 HD2 HIS 114 4.936 -3.343 -19.222 868 HE1 HIS 114 HE1 HIS 114 0.772 -2.725 -19.705 869 HE2 HIS 114 HE2 HIS 114 3.073 -1.837 -20.188 870 HB2 HIS 114 2HB HIS 114 3.081 -6.265 -17.468 871 HB3 HIS 114 1HB HIS 114 4.724 -5.680 -17.730 872 H HIS 115 H HIS 115 6.505 -7.126 -19.357 873 HA HIS 115 HA HIS 115 6.653 -9.979 -18.838 874 HD1 HIS 115 HD1 HIS 115 8.275 -11.034 -21.399 875 HD2 HIS 115 HD2 HIS 115 7.484 -6.960 -21.659 876 HE1 HIS 115 HE1 HIS 115 7.548 -10.637 -23.768 877 HE2 HIS 115 HE2 HIS 115 6.860 -8.219 -23.829 878 HB2 HIS 115 2HB HIS 115 8.847 -7.959 -19.378 879 HB3 HIS 115 1HB HIS 115 9.048 -9.709 -19.343 880 H HIS 116 H HIS 116 6.456 -10.606 -16.782 881 HA HIS 116 HA HIS 116 7.191 -8.981 -14.547 882 HD1 HIS 116 HD1 HIS 116 8.098 -12.441 -12.671 883 HD2 HIS 116 HD2 HIS 116 5.073 -9.720 -11.813 884 HE1 HIS 116 HE1 HIS 116 8.020 -12.283 -10.166 885 HE2 HIS 116 HE2 HIS 116 6.067 -10.783 -9.676 886 HB2 HIS 116 2HB HIS 116 5.323 -10.566 -14.424 887 HB3 HIS 116 1HB HIS 116 6.426 -11.913 -14.678 888 H HIS 117 H HIS 117 9.444 -8.583 -15.053 889 HA HIS 117 HA HIS 117 11.227 -10.842 -14.400 890 HD1 HIS 117 HD1 HIS 117 14.030 -7.823 -14.324 891 HD2 HIS 117 HD2 HIS 117 13.929 -11.444 -16.355 892 HE1 HIS 117 HE1 HIS 117 16.366 -8.721 -14.207 893 HE2 HIS 117 HE2 HIS 117 16.231 -10.996 -15.260 894 HB2 HIS 117 2HB HIS 117 11.709 -9.757 -16.549 895 HB3 HIS 117 1HB HIS 117 11.873 -8.200 -15.742 896 H HIS 118 H HIS 118 12.359 -10.839 -12.550 897 HA HIS 118 HA HIS 118 12.022 -8.610 -10.698 898 HD1 HIS 118 HD1 HIS 118 15.083 -11.040 -8.665 899 HD2 HIS 118 HD2 HIS 118 11.654 -8.924 -7.637 900 HE1 HIS 118 HE1 HIS 118 15.523 -10.120 -6.372 901 HE2 HIS 118 HE2 HIS 118 13.491 -8.742 -5.823 902 HB2 HIS 118 2HB HIS 118 11.629 -10.848 -9.837 903 HB3 HIS 118 1HB HIS 118 13.241 -11.357 -10.328 Start of MODEL 12 1 HA MET 1 HA MET 1 13.621 10.768 -7.524 2 H1 MET 1 1H MET 1 14.799 11.247 -5.524 3 H2 MET 1 2H MET 1 15.754 10.229 -6.478 4 H3 MET 1 3H MET 1 14.936 9.607 -5.137 5 HB2 MET 1 2HB MET 1 14.111 7.889 -6.744 6 HB3 MET 1 1HB MET 1 12.930 8.365 -7.954 7 HG2 MET 1 2HG MET 1 14.664 9.284 -9.350 8 HG3 MET 1 1HG MET 1 15.876 8.965 -8.111 9 HE1 MET 1 3HE MET 1 12.888 6.561 -9.054 10 HE2 MET 1 1HE MET 1 13.617 5.608 -10.345 11 HE3 MET 1 2HE MET 1 13.294 7.324 -10.593 12 H SER 2 H SER 2 11.319 10.437 -7.586 13 HA SER 2 HA SER 2 10.068 10.243 -4.929 14 HG SER 2 HG SER 2 8.032 10.475 -8.017 15 HB2 SER 2 2HB SER 2 8.088 11.235 -5.967 16 HB3 SER 2 1HB SER 2 9.505 12.210 -6.350 17 H GLY 3 H GLY 3 8.233 8.870 -4.576 18 HA2 GLY 3 2HA GLY 3 8.452 6.297 -5.810 19 HA3 GLY 3 1HA GLY 3 7.266 6.775 -4.610 20 H TRP 4 H TRP 4 6.351 5.092 -6.439 21 HA TRP 4 HA TRP 4 4.361 6.686 -7.805 22 HD1 TRP 4 HD1 TRP 4 5.151 3.047 -10.311 23 HE1 TRP 4 HE1 TRP 4 7.290 1.623 -10.439 24 HE3 TRP 4 HE3 TRP 4 8.507 6.462 -8.517 25 HZ2 TRP 4 HZ2 TRP 4 10.033 1.910 -9.853 26 HZ3 TRP 4 HZ3 TRP 4 10.872 5.807 -8.332 27 HH2 TRP 4 HH2 TRP 4 11.618 3.574 -8.986 28 HB2 TRP 4 2HB TRP 4 4.732 5.638 -10.017 29 HB3 TRP 4 1HB TRP 4 6.087 6.639 -9.512 30 H TYR 5 H TYR 5 2.613 5.356 -8.741 31 HA TYR 5 HA TYR 5 2.213 2.886 -7.164 32 HD1 TYR 5 HD1 TYR 5 1.224 6.613 -6.984 33 HD2 TYR 5 HD2 TYR 5 -0.457 3.066 -5.333 34 HE1 TYR 5 HE1 TYR 5 1.051 7.718 -4.794 35 HE2 TYR 5 HE2 TYR 5 -0.630 4.163 -3.141 36 HH TYR 5 HH TYR 5 -0.144 7.542 -2.727 37 HB2 TYR 5 2HB TYR 5 0.232 4.806 -8.417 38 HB3 TYR 5 1HB TYR 5 -0.231 3.277 -7.682 39 H GLU 6 H GLU 6 2.166 0.968 -8.225 40 HA GLU 6 HA GLU 6 1.559 1.007 -11.118 41 HB2 GLU 6 2HB GLU 6 3.449 -0.860 -9.664 42 HB3 GLU 6 1HB GLU 6 3.049 -0.947 -11.376 43 HG2 GLU 6 2HG GLU 6 3.943 1.392 -11.599 44 HG3 GLU 6 1HG GLU 6 4.527 1.251 -9.947 45 H LEU 7 H LEU 7 -0.290 0.068 -11.616 46 HA LEU 7 HA LEU 7 -1.540 -1.846 -9.795 47 HG LEU 7 HG LEU 7 -3.716 -2.740 -11.725 48 HB2 LEU 7 2HB LEU 7 -2.897 -0.018 -10.705 49 HB3 LEU 7 1HB LEU 7 -2.559 -0.565 -12.338 50 HD11 LEU 7 1HD1 LEU 7 -3.592 -2.530 -9.298 51 HD12 LEU 7 2HD1 LEU 7 -5.260 -2.705 -9.840 52 HD13 LEU 7 3HD1 LEU 7 -4.653 -1.121 -9.358 53 HD21 LEU 7 3HD2 LEU 7 -5.341 -0.198 -11.689 54 HD22 LEU 7 1HD2 LEU 7 -5.966 -1.812 -12.032 55 HD23 LEU 7 2HD2 LEU 7 -4.791 -1.074 -13.118 56 H SER 8 H SER 8 -1.719 -4.008 -10.184 57 HA SER 8 HA SER 8 -0.957 -5.019 -12.847 58 HG SER 8 HG SER 8 -0.356 -5.407 -9.435 59 HB2 SER 8 2HB SER 8 0.387 -6.816 -11.772 60 HB3 SER 8 1HB SER 8 1.033 -5.209 -11.442 61 H LYS 9 H LYS 9 -1.731 -7.151 -13.358 62 HA LYS 9 HA LYS 9 -4.296 -7.732 -12.086 63 HB2 LYS 9 2HB LYS 9 -4.170 -7.580 -14.560 64 HB3 LYS 9 1HB LYS 9 -3.050 -8.937 -14.578 65 HG2 LYS 9 2HG LYS 9 -4.826 -10.339 -13.531 66 HG3 LYS 9 1HG LYS 9 -5.935 -8.982 -13.697 67 HD2 LYS 9 2HD LYS 9 -4.490 -10.256 -16.025 68 HD3 LYS 9 1HD LYS 9 -6.092 -10.753 -15.487 69 HE2 LYS 9 2HE LYS 9 -6.523 -9.279 -17.244 70 HE3 LYS 9 1HE LYS 9 -6.753 -8.288 -15.805 71 HZ1 LYS 9 3HZ LYS 9 -4.253 -8.359 -17.404 72 HZ2 LYS 9 1HZ LYS 9 -4.615 -7.304 -16.136 73 HZ3 LYS 9 2HZ LYS 9 -5.467 -7.197 -17.591 74 H SER 10 H SER 10 -4.897 -9.897 -11.470 75 HA SER 10 HA SER 10 -2.628 -11.593 -10.616 76 HG SER 10 HG SER 10 -3.621 -12.403 -7.673 77 HB2 SER 10 2HB SER 10 -3.765 -10.580 -8.695 78 HB3 SER 10 1HB SER 10 -5.318 -11.189 -9.266 79 H SER 11 H SER 11 -3.786 -13.883 -9.924 80 HA SER 11 HA SER 11 -4.146 -15.272 -12.309 81 HG SER 11 HG SER 11 -5.096 -16.776 -8.634 82 HB2 SER 11 2HB SER 11 -4.901 -17.160 -10.886 83 HB3 SER 11 1HB SER 11 -3.468 -16.366 -10.228 84 H ASN 12 H ASN 12 -6.656 -14.368 -9.941 85 HA ASN 12 HA ASN 12 -8.800 -15.375 -11.586 86 HB2 ASN 12 2HB ASN 12 -8.972 -13.647 -9.108 87 HB3 ASN 12 1HB ASN 12 -10.259 -14.629 -9.799 88 HD21 ASN 12 1HD2 ASN 12 -9.068 -14.683 -7.139 89 HD22 ASN 12 2HD2 ASN 12 -8.502 -16.300 -6.911 90 H ASP 13 H ASP 13 -7.160 -13.117 -12.700 91 HA ASP 13 HA ASP 13 -7.434 -11.247 -13.956 92 HB2 ASP 13 2HB ASP 13 -9.480 -12.446 -14.768 93 HB3 ASP 13 1HB ASP 13 -10.415 -11.619 -13.527 94 H GLN 14 H GLN 14 -8.100 -11.405 -10.767 95 HA GLN 14 HA GLN 14 -9.266 -8.881 -10.196 96 HB2 GLN 14 2HB GLN 14 -7.604 -10.717 -8.453 97 HB3 GLN 14 1HB GLN 14 -8.507 -9.322 -7.871 98 HG2 GLN 14 2HG GLN 14 -10.594 -10.342 -8.600 99 HG3 GLN 14 1HG GLN 14 -9.710 -11.732 -9.229 100 HE21 GLN 14 1HE2 GLN 14 -10.726 -10.047 -6.370 101 HE22 GLN 14 2HE2 GLN 14 -10.442 -11.339 -5.265 102 H PHE 15 H PHE 15 -8.179 -7.104 -9.027 103 HA PHE 15 HA PHE 15 -5.516 -6.630 -10.220 104 HD1 PHE 15 HD2 PHE 15 -9.459 -5.761 -10.876 105 HD2 PHE 15 HD1 PHE 15 -5.707 -4.954 -12.722 106 HE1 PHE 15 HE2 PHE 15 -10.431 -6.278 -13.075 107 HE2 PHE 15 HE1 PHE 15 -6.673 -5.475 -14.919 108 HZ PHE 15 HZ PHE 15 -9.036 -6.140 -15.099 109 HB2 PHE 15 2HB PHE 15 -7.698 -4.595 -9.677 110 HB3 PHE 15 1HB PHE 15 -6.142 -4.274 -10.439 111 H LYS 16 H LYS 16 -3.912 -5.806 -8.997 112 HA LYS 16 HA LYS 16 -4.513 -4.590 -6.405 113 HB2 LYS 16 2HB LYS 16 -2.867 -5.878 -5.193 114 HB3 LYS 16 1HB LYS 16 -4.004 -6.988 -5.939 115 HG2 LYS 16 2HG LYS 16 -1.324 -6.336 -7.152 116 HG3 LYS 16 1HG LYS 16 -1.569 -7.652 -6.007 117 HD2 LYS 16 2HD LYS 16 -3.175 -8.693 -7.524 118 HD3 LYS 16 1HD LYS 16 -2.984 -7.357 -8.662 119 HE2 LYS 16 2HE LYS 16 -1.679 -9.357 -9.301 120 HE3 LYS 16 1HE LYS 16 -0.666 -7.943 -9.023 121 HZ1 LYS 16 3HZ LYS 16 0.227 -9.997 -8.047 122 HZ2 LYS 16 1HZ LYS 16 -1.120 -10.095 -7.030 123 HZ3 LYS 16 2HZ LYS 16 -0.044 -8.798 -6.888 124 H PHE 17 H PHE 17 -3.132 -2.927 -5.865 125 HA PHE 17 HA PHE 17 -1.044 -2.311 -7.860 126 HD1 PHE 17 HD2 PHE 17 -4.686 -1.073 -6.238 127 HD2 PHE 17 HD1 PHE 17 -1.086 0.880 -5.054 128 HE1 PHE 17 HE2 PHE 17 -5.796 -0.262 -4.198 129 HE2 PHE 17 HE1 PHE 17 -2.195 1.691 -3.013 130 HZ PHE 17 HZ PHE 17 -4.553 1.119 -2.583 131 HB2 PHE 17 2HB PHE 17 -1.354 0.056 -7.304 132 HB3 PHE 17 1HB PHE 17 -2.864 -0.675 -7.836 133 H VAL 18 H VAL 18 0.962 -1.554 -7.210 134 HA VAL 18 HA VAL 18 1.598 -1.826 -4.335 135 HB VAL 18 HB VAL 18 3.866 -2.584 -5.000 136 HG11 VAL 18 1HG1 VAL 18 2.188 -4.239 -4.415 137 HG12 VAL 18 2HG1 VAL 18 3.223 -4.857 -5.704 138 HG13 VAL 18 3HG1 VAL 18 1.600 -4.269 -6.078 139 HG21 VAL 18 3HG2 VAL 18 4.276 -3.328 -7.313 140 HG22 VAL 18 1HG2 VAL 18 3.994 -1.589 -7.228 141 HG23 VAL 18 2HG2 VAL 18 2.716 -2.665 -7.799 142 H LEU 19 H LEU 19 2.411 -0.055 -3.401 143 HA LEU 19 HA LEU 19 3.216 2.225 -5.013 144 HG LEU 19 HG LEU 19 4.612 3.606 -2.346 145 HB2 LEU 19 2HB LEU 19 1.829 2.662 -3.084 146 HB3 LEU 19 1HB LEU 19 2.963 1.840 -2.027 147 HD11 LEU 19 1HD1 LEU 19 4.083 5.636 -3.618 148 HD12 LEU 19 2HD1 LEU 19 2.587 4.891 -4.180 149 HD13 LEU 19 3HD1 LEU 19 4.144 4.210 -4.650 150 HD21 LEU 19 3HD2 LEU 19 2.950 3.880 -0.572 151 HD22 LEU 19 1HD2 LEU 19 1.891 4.740 -1.689 152 HD23 LEU 19 2HD2 LEU 19 3.448 5.436 -1.234 153 H LYS 20 H LYS 20 5.210 2.288 -5.788 154 HA LYS 20 HA LYS 20 7.404 1.029 -4.277 155 HB2 LYS 20 2HB LYS 20 6.859 0.374 -6.699 156 HB3 LYS 20 1HB LYS 20 7.506 1.942 -7.143 157 HG2 LYS 20 2HG LYS 20 9.664 1.379 -6.213 158 HG3 LYS 20 1HG LYS 20 9.043 -0.169 -5.638 159 HD2 LYS 20 2HD LYS 20 9.046 0.598 -8.558 160 HD3 LYS 20 1HD LYS 20 10.417 -0.195 -7.788 161 HE2 LYS 20 2HE LYS 20 9.127 -1.892 -8.849 162 HE3 LYS 20 1HE LYS 20 8.851 -2.046 -7.117 163 HZ1 LYS 20 3HZ LYS 20 6.817 -2.263 -8.437 164 HZ2 LYS 20 1HZ LYS 20 7.018 -0.690 -9.017 165 HZ3 LYS 20 2HZ LYS 20 6.733 -0.954 -7.374 166 H ALA 21 H ALA 21 8.792 2.309 -3.256 167 HA ALA 21 HA ALA 21 8.703 5.149 -3.407 168 HB1 ALA 21 3HB ALA 21 10.752 3.371 -2.079 169 HB2 ALA 21 1HB ALA 21 9.269 3.971 -1.337 170 HB3 ALA 21 2HB ALA 21 10.544 5.100 -1.798 171 H GLY 22 H GLY 22 10.624 6.532 -3.832 172 HA2 GLY 22 2HA GLY 22 11.475 6.329 -6.463 173 HA3 GLY 22 1HA GLY 22 12.229 7.348 -5.253 174 H ASN 23 H ASN 23 12.897 4.773 -3.713 175 HA ASN 23 HA ASN 23 15.478 4.337 -4.927 176 HB2 ASN 23 2HB ASN 23 15.197 4.514 -2.484 177 HB3 ASN 23 1HB ASN 23 14.197 3.068 -2.489 178 HD21 ASN 23 1HD2 ASN 23 15.174 1.080 -2.623 179 HD22 ASN 23 2HD2 ASN 23 16.881 0.858 -2.529 180 H GLY 24 H GLY 24 12.618 3.158 -5.852 181 HA2 GLY 24 2HA GLY 24 11.971 1.306 -7.074 182 HA3 GLY 24 1HA GLY 24 13.639 0.747 -7.023 183 H GLU 25 H GLU 25 11.567 1.478 -4.274 184 HA GLU 25 HA GLU 25 11.746 -1.343 -3.401 185 HB2 GLU 25 2HB GLU 25 13.283 0.105 -2.154 186 HB3 GLU 25 1HB GLU 25 11.960 1.183 -1.739 187 HG2 GLU 25 2HG GLU 25 10.905 -0.676 -0.479 188 HG3 GLU 25 1HG GLU 25 12.324 -1.666 -0.821 189 H VAL 26 H VAL 26 9.741 -2.231 -3.376 190 HA VAL 26 HA VAL 26 7.345 -0.688 -3.317 191 HB VAL 26 HB VAL 26 7.685 -3.660 -2.833 192 HG11 VAL 26 1HG1 VAL 26 5.310 -3.812 -3.487 193 HG12 VAL 26 2HG1 VAL 26 5.222 -2.051 -3.538 194 HG13 VAL 26 3HG1 VAL 26 5.537 -2.876 -2.009 195 HG21 VAL 26 3HG2 VAL 26 7.047 -2.164 -5.384 196 HG22 VAL 26 1HG2 VAL 26 7.081 -3.919 -5.198 197 HG23 VAL 26 2HG2 VAL 26 8.563 -2.982 -5.013 198 H ILE 27 H ILE 27 6.948 0.502 -1.536 199 HA ILE 27 HA ILE 27 7.580 -0.479 1.115 200 HB ILE 27 HB ILE 27 6.633 1.746 1.866 201 HG12 ILE 27 2HG1 ILE 27 6.468 2.177 -1.132 202 HG13 ILE 27 1HG1 ILE 27 5.139 2.235 0.020 203 HG21 ILE 27 1HG2 ILE 27 9.030 1.347 1.534 204 HG22 ILE 27 2HG2 ILE 27 8.580 3.004 1.131 205 HG23 ILE 27 3HG2 ILE 27 8.875 1.834 -0.156 206 HD11 ILE 27 3HD1 ILE 27 7.446 4.167 -0.113 207 HD12 ILE 27 1HD1 ILE 27 6.114 4.226 1.042 208 HD13 ILE 27 2HD1 ILE 27 5.801 4.460 -0.677 209 H LEU 28 H LEU 28 4.594 0.299 -0.676 210 HA LEU 28 HA LEU 28 3.077 -1.199 1.373 211 HG LEU 28 HG LEU 28 1.416 1.996 2.233 212 HB2 LEU 28 2HB LEU 28 2.467 1.435 0.098 213 HB3 LEU 28 1HB LEU 28 1.123 0.370 0.456 214 HD11 LEU 28 1HD1 LEU 28 2.236 -0.766 3.126 215 HD12 LEU 28 2HD1 LEU 28 0.585 -0.198 2.871 216 HD13 LEU 28 3HD1 LEU 28 1.568 0.498 4.159 217 HD21 LEU 28 3HD2 LEU 28 4.176 0.848 2.654 218 HD22 LEU 28 1HD2 LEU 28 3.395 2.095 3.625 219 HD23 LEU 28 2HD2 LEU 28 3.821 2.423 1.946 220 H THR 29 H THR 29 2.062 -2.928 0.624 221 HA THR 29 HA THR 29 1.436 -3.123 -2.263 222 HB THR 29 HB THR 29 2.102 -5.353 -0.314 223 HG1 THR 29 HG1 THR 29 4.011 -5.476 -1.410 224 HG21 THR 29 3HG2 THR 29 0.412 -6.095 -1.929 225 HG22 THR 29 1HG2 THR 29 1.970 -6.850 -2.267 226 HG23 THR 29 2HG2 THR 29 1.408 -5.503 -3.258 227 H SER 30 H SER 30 -0.688 -3.213 -2.761 228 HA SER 30 HA SER 30 -2.633 -3.474 -0.621 229 HG SER 30 HG SER 30 -5.046 -1.988 -2.341 230 HB2 SER 30 2HB SER 30 -2.936 -1.740 -2.333 231 HB3 SER 30 1HB SER 30 -3.062 -2.981 -3.579 232 H GLU 31 H GLU 31 -4.752 -4.682 -1.338 233 HA GLU 31 HA GLU 31 -3.949 -7.483 -1.743 234 HB2 GLU 31 2HB GLU 31 -5.600 -6.219 0.158 235 HB3 GLU 31 1HB GLU 31 -6.706 -7.100 -0.882 236 HG2 GLU 31 2HG GLU 31 -4.328 -8.313 0.529 237 HG3 GLU 31 1HG GLU 31 -5.990 -8.376 1.110 238 H LEU 32 H LEU 32 -6.163 -8.745 -2.573 239 HA LEU 32 HA LEU 32 -6.355 -7.931 -5.326 240 HG LEU 32 HG LEU 32 -5.240 -10.544 -3.908 241 HB2 LEU 32 2HB LEU 32 -7.656 -10.226 -3.855 242 HB3 LEU 32 1HB LEU 32 -7.690 -10.001 -5.593 243 HD11 LEU 32 1HD1 LEU 32 -6.664 -12.256 -5.950 244 HD12 LEU 32 2HD1 LEU 32 -6.641 -12.510 -4.204 245 HD13 LEU 32 3HD1 LEU 32 -5.151 -12.661 -5.135 246 HD21 LEU 32 3HD2 LEU 32 -4.652 -9.067 -5.729 247 HD22 LEU 32 1HD2 LEU 32 -5.489 -10.104 -6.884 248 HD23 LEU 32 2HD2 LEU 32 -4.045 -10.688 -6.060 249 H TYR 33 H TYR 33 -7.770 -6.473 -6.029 250 HA TYR 33 HA TYR 33 -10.355 -6.089 -4.722 251 HD1 TYR 33 HD2 TYR 33 -6.988 -4.279 -5.823 252 HD2 TYR 33 HD1 TYR 33 -10.768 -3.009 -4.328 253 HE1 TYR 33 HE2 TYR 33 -5.854 -2.800 -4.225 254 HE2 TYR 33 HE1 TYR 33 -9.640 -1.522 -2.727 255 HH TYR 33 HH TYR 33 -7.434 -1.353 -1.613 256 HB2 TYR 33 2HB TYR 33 -9.077 -4.682 -7.086 257 HB3 TYR 33 1HB TYR 33 -10.633 -4.248 -6.387 258 H THR 34 H THR 34 -12.371 -6.298 -5.837 259 HA THR 34 HA THR 34 -12.418 -8.528 -7.699 260 HB THR 34 HB THR 34 -14.871 -8.407 -7.499 261 HG1 THR 34 HG1 THR 34 -15.861 -6.748 -6.542 262 HG21 THR 34 3HG2 THR 34 -15.047 -8.916 -5.098 263 HG22 THR 34 1HG2 THR 34 -13.449 -8.219 -4.834 264 HG23 THR 34 2HG2 THR 34 -13.626 -9.674 -5.816 265 H GLY 35 H GLY 35 -12.498 -5.100 -7.923 266 HA2 GLY 35 2HA GLY 35 -13.085 -5.319 -10.807 267 HA3 GLY 35 1HA GLY 35 -13.942 -4.133 -9.838 268 H LYS 36 H LYS 36 -12.044 -3.882 -12.141 269 HA LYS 36 HA LYS 36 -9.579 -2.807 -11.339 270 HB2 LYS 36 2HB LYS 36 -10.147 -3.438 -13.664 271 HB3 LYS 36 1HB LYS 36 -11.251 -2.073 -13.758 272 HG2 LYS 36 2HG LYS 36 -9.370 -0.528 -13.467 273 HG3 LYS 36 1HG LYS 36 -8.263 -1.897 -13.366 274 HD2 LYS 36 2HD LYS 36 -8.217 -0.934 -15.602 275 HD3 LYS 36 1HD LYS 36 -8.890 -2.563 -15.651 276 HE2 LYS 36 2HE LYS 36 -11.143 -1.661 -15.780 277 HE3 LYS 36 1HE LYS 36 -10.522 -0.019 -15.623 278 HZ1 LYS 36 3HZ LYS 36 -9.354 -0.308 -17.724 279 HZ2 LYS 36 1HZ LYS 36 -11.018 -0.547 -17.918 280 HZ3 LYS 36 2HZ LYS 36 -9.973 -1.875 -17.878 281 H SER 37 H SER 37 -12.750 -1.293 -11.716 282 HA SER 37 HA SER 37 -12.040 1.392 -11.332 283 HG SER 37 HG SER 37 -14.800 2.560 -11.297 284 HB2 SER 37 2HB SER 37 -14.293 0.677 -12.042 285 HB3 SER 37 1HB SER 37 -14.580 -0.009 -10.444 286 H GLY 38 H GLY 38 -13.058 -1.027 -8.905 287 HA2 GLY 38 2HA GLY 38 -12.740 0.566 -6.616 288 HA3 GLY 38 1HA GLY 38 -12.645 -1.188 -6.648 289 H ALA 39 H ALA 39 -10.380 -1.446 -8.329 290 HA ALA 39 HA ALA 39 -8.247 -1.217 -6.535 291 HB1 ALA 39 3HB ALA 39 -8.263 -2.773 -8.424 292 HB2 ALA 39 1HB ALA 39 -6.806 -1.777 -8.426 293 HB3 ALA 39 2HB ALA 39 -8.122 -1.417 -9.545 294 H MET 40 H MET 40 -9.062 0.857 -9.337 295 HA MET 40 HA MET 40 -6.993 2.729 -8.978 296 HB2 MET 40 2HB MET 40 -9.749 3.168 -10.160 297 HB3 MET 40 1HB MET 40 -8.397 4.285 -10.309 298 HG2 MET 40 2HG MET 40 -7.117 2.501 -11.465 299 HG3 MET 40 1HG MET 40 -8.557 1.489 -11.417 300 HE1 MET 40 3HE MET 40 -10.859 3.667 -11.908 301 HE2 MET 40 1HE MET 40 -10.832 2.098 -12.716 302 HE3 MET 40 2HE MET 40 -11.039 3.573 -13.660 303 H ASN 41 H ASN 41 -10.343 2.747 -7.729 304 HA ASN 41 HA ASN 41 -10.311 5.096 -6.256 305 HB2 ASN 41 2HB ASN 41 -11.567 2.449 -5.468 306 HB3 ASN 41 1HB ASN 41 -11.956 4.006 -4.743 307 HD21 ASN 41 1HD2 ASN 41 -13.668 2.131 -6.160 308 HD22 ASN 41 2HD2 ASN 41 -14.349 3.014 -7.476 309 H GLY 42 H GLY 42 -9.037 1.908 -5.366 310 HA2 GLY 42 2HA GLY 42 -8.119 2.499 -2.783 311 HA3 GLY 42 1HA GLY 42 -7.426 1.286 -3.849 312 H ILE 43 H ILE 43 -6.523 2.943 -5.936 313 HA ILE 43 HA ILE 43 -4.005 3.751 -4.954 314 HB ILE 43 HB ILE 43 -5.346 4.570 -7.547 315 HG12 ILE 43 2HG1 ILE 43 -3.464 2.269 -6.936 316 HG13 ILE 43 1HG1 ILE 43 -5.182 2.130 -7.290 317 HG21 ILE 43 1HG2 ILE 43 -3.469 6.032 -7.001 318 HG22 ILE 43 2HG2 ILE 43 -3.076 4.997 -8.374 319 HG23 ILE 43 3HG2 ILE 43 -2.422 4.630 -6.776 320 HD11 ILE 43 3HD1 ILE 43 -3.076 3.133 -9.196 321 HD12 ILE 43 1HD1 ILE 43 -4.796 2.959 -9.546 322 HD13 ILE 43 2HD1 ILE 43 -3.816 1.532 -9.208 323 H GLU 44 H GLU 44 -6.820 5.695 -5.956 324 HA GLU 44 HA GLU 44 -5.716 8.226 -5.388 325 HB2 GLU 44 2HB GLU 44 -8.611 7.340 -5.410 326 HB3 GLU 44 1HB GLU 44 -8.071 9.015 -5.407 327 HG2 GLU 44 2HG GLU 44 -6.985 8.682 -7.567 328 HG3 GLU 44 1HG GLU 44 -7.484 6.991 -7.564 329 H SER 45 H SER 45 -7.550 5.969 -3.347 330 HA SER 45 HA SER 45 -7.868 7.698 -1.131 331 HG SER 45 HG SER 45 -7.506 4.016 -1.813 332 HB2 SER 45 2HB SER 45 -8.449 5.774 0.168 333 HB3 SER 45 1HB SER 45 -9.072 5.490 -1.456 334 H VAL 46 H VAL 46 -5.340 5.260 -1.831 335 HA VAL 46 HA VAL 46 -3.764 5.723 0.445 336 HB VAL 46 HB VAL 46 -2.821 4.860 -2.304 337 HG11 VAL 46 1HG1 VAL 46 -0.962 5.625 -0.923 338 HG12 VAL 46 2HG1 VAL 46 -0.909 3.871 -1.099 339 HG13 VAL 46 3HG1 VAL 46 -1.495 4.589 0.403 340 HG21 VAL 46 3HG2 VAL 46 -2.987 2.577 -1.422 341 HG22 VAL 46 1HG2 VAL 46 -4.556 3.385 -1.407 342 HG23 VAL 46 2HG2 VAL 46 -3.644 3.205 0.091 343 H GLN 47 H GLN 47 -3.647 7.290 -2.771 344 HA GLN 47 HA GLN 47 -1.476 8.994 -2.338 345 HB2 GLN 47 2HB GLN 47 -3.995 9.398 -3.961 346 HB3 GLN 47 1HB GLN 47 -2.655 10.538 -3.981 347 HG2 GLN 47 2HG GLN 47 -1.171 8.815 -4.840 348 HG3 GLN 47 1HG GLN 47 -2.472 7.630 -4.757 349 HE21 GLN 47 1HE2 GLN 47 -0.869 8.630 -7.034 350 HE22 GLN 47 2HE2 GLN 47 -2.027 9.173 -8.193 351 H THR 48 H THR 48 -4.835 9.341 -1.332 352 HA THR 48 HA THR 48 -4.482 12.005 -0.252 353 HB THR 48 HB THR 48 -6.781 10.076 0.191 354 HG1 THR 48 HG1 THR 48 -6.686 10.466 -1.999 355 HG21 THR 48 3HG2 THR 48 -6.753 11.905 1.809 356 HG22 THR 48 1HG2 THR 48 -8.074 12.127 0.660 357 HG23 THR 48 2HG2 THR 48 -6.601 13.083 0.504 358 H ASN 49 H ASN 49 -4.536 8.723 0.992 359 HA ASN 49 HA ASN 49 -4.721 9.516 3.760 360 HB2 ASN 49 2HB ASN 49 -4.515 6.846 2.378 361 HB3 ASN 49 1HB ASN 49 -4.494 7.001 4.134 362 HD21 ASN 49 1HD2 ASN 49 -6.470 5.751 2.343 363 HD22 ASN 49 2HD2 ASN 49 -7.970 6.518 2.715 364 H SER 50 H SER 50 -2.123 8.554 1.606 365 HA SER 50 HA SER 50 -0.224 7.642 3.396 366 HG SER 50 HG SER 50 -0.318 7.363 0.073 367 HB2 SER 50 2HB SER 50 0.195 9.246 0.866 368 HB3 SER 50 1HB SER 50 1.506 8.493 1.772 369 HA PRO 51 HA PRO 51 1.280 12.172 4.313 370 HB2 PRO 51 2HB PRO 51 -0.499 14.190 3.841 371 HB3 PRO 51 1HB PRO 51 0.725 13.681 2.674 372 HG2 PRO 51 2HG PRO 51 -2.181 12.955 2.804 373 HG3 PRO 51 1HG PRO 51 -1.204 13.410 1.395 374 HD2 PRO 51 2HD PRO 51 -1.801 10.836 1.953 375 HD3 PRO 51 1HD PRO 51 -0.258 11.305 1.211 376 H ILE 52 H ILE 52 -1.635 10.643 5.016 377 HA ILE 52 HA ILE 52 -1.929 12.092 7.578 378 HB ILE 52 HB ILE 52 -3.939 10.238 6.263 379 HG12 ILE 52 2HG1 ILE 52 -3.976 13.266 6.455 380 HG13 ILE 52 1HG1 ILE 52 -3.632 12.351 4.991 381 HG21 ILE 52 1HG2 ILE 52 -5.495 11.062 7.962 382 HG22 ILE 52 2HG2 ILE 52 -4.217 12.051 8.665 383 HG23 ILE 52 3HG2 ILE 52 -4.095 10.293 8.709 384 HD11 ILE 52 3HD1 ILE 52 -5.914 13.189 5.017 385 HD12 ILE 52 1HD1 ILE 52 -6.230 12.312 6.514 386 HD13 ILE 52 2HD1 ILE 52 -5.883 11.425 5.030 387 H GLU 53 H GLU 53 -0.359 11.024 8.787 388 HA GLU 53 HA GLU 53 0.298 8.312 8.582 389 HB2 GLU 53 2HB GLU 53 1.593 8.598 10.604 390 HB3 GLU 53 1HB GLU 53 1.758 10.030 9.598 391 HG2 GLU 53 2HG GLU 53 0.096 11.184 11.014 392 HG3 GLU 53 1HG GLU 53 0.017 9.757 12.045 393 H ALA 54 H ALA 54 -2.245 9.834 10.425 394 HA ALA 54 HA ALA 54 -2.742 7.871 12.358 395 HB1 ALA 54 3HB ALA 54 -4.981 8.829 12.530 396 HB2 ALA 54 1HB ALA 54 -4.745 9.678 11.002 397 HB3 ALA 54 2HB ALA 54 -3.758 10.095 12.404 398 H ARG 55 H ARG 55 -3.260 7.731 8.958 399 HA ARG 55 HA ARG 55 -5.459 5.909 8.935 400 HE ARG 55 HE ARG 55 -7.681 8.150 5.414 401 HB2 ARG 55 2HB ARG 55 -3.454 6.761 6.854 402 HB3 ARG 55 1HB ARG 55 -4.668 5.535 6.516 403 HG2 ARG 55 2HG ARG 55 -5.248 8.361 7.395 404 HG3 ARG 55 1HG ARG 55 -5.327 7.766 5.736 405 HD2 ARG 55 2HD ARG 55 -7.001 6.040 6.622 406 HD3 ARG 55 1HD ARG 55 -7.082 7.037 8.073 407 HH11 ARG 55 1HH1 ARG 55 -8.583 7.566 8.685 408 HH12 ARG 55 2HH1 ARG 55 -10.044 8.478 8.554 409 HH21 ARG 55 1HH2 ARG 55 -9.566 9.291 5.256 410 HH22 ARG 55 2HH2 ARG 55 -10.591 9.449 6.637 411 H TYR 56 H TYR 56 -2.205 5.384 9.755 412 HA TYR 56 HA TYR 56 -1.904 2.810 8.535 413 HD1 TYR 56 HD1 TYR 56 -1.965 4.011 12.033 414 HD2 TYR 56 HD2 TYR 56 1.945 4.789 10.526 415 HE1 TYR 56 HE1 TYR 56 -1.406 5.202 14.103 416 HE2 TYR 56 HE2 TYR 56 2.503 5.987 12.595 417 HH TYR 56 HH TYR 56 1.396 7.127 14.427 418 HB2 TYR 56 2HB TYR 56 0.144 2.598 9.882 419 HB3 TYR 56 1HB TYR 56 0.075 4.114 9.003 420 H ALA 57 H ALA 57 -1.226 0.895 9.978 421 HA ALA 57 HA ALA 57 -2.812 0.688 12.440 422 HB1 ALA 57 3HB ALA 57 -3.701 -1.486 11.801 423 HB2 ALA 57 1HB ALA 57 -2.885 -1.382 10.241 424 HB3 ALA 57 2HB ALA 57 -4.187 -0.258 10.630 425 H LYS 58 H LYS 58 -1.416 0.173 13.989 426 HA LYS 58 HA LYS 58 1.168 -0.960 13.496 427 HB2 LYS 58 2HB LYS 58 -0.328 -0.491 16.088 428 HB3 LYS 58 1HB LYS 58 1.374 -0.916 15.972 429 HG2 LYS 58 2HG LYS 58 0.250 1.564 14.686 430 HG3 LYS 58 1HG LYS 58 0.798 1.530 16.365 431 HD2 LYS 58 2HD LYS 58 3.028 0.746 15.565 432 HD3 LYS 58 1HD LYS 58 2.459 0.944 13.904 433 HE2 LYS 58 2HE LYS 58 2.279 3.282 14.127 434 HE3 LYS 58 1HE LYS 58 2.362 3.205 15.887 435 HZ1 LYS 58 3HZ LYS 58 4.678 2.472 15.677 436 HZ2 LYS 58 1HZ LYS 58 4.430 4.000 15.003 437 HZ3 LYS 58 2HZ LYS 58 4.589 2.655 13.998 438 H GLU 59 H GLU 59 1.566 -3.093 13.169 439 HA GLU 59 HA GLU 59 0.145 -5.083 14.788 440 HB2 GLU 59 2HB GLU 59 0.289 -5.140 11.769 441 HB3 GLU 59 1HB GLU 59 -0.117 -6.544 12.744 442 HG2 GLU 59 2HG GLU 59 -2.031 -5.225 13.685 443 HG3 GLU 59 1HG GLU 59 -1.674 -3.981 12.487 444 H VAL 60 H VAL 60 1.552 -6.444 15.685 445 HA VAL 60 HA VAL 60 3.969 -7.203 14.163 446 HB VAL 60 HB VAL 60 3.445 -7.494 17.138 447 HG11 VAL 60 1HG1 VAL 60 5.927 -8.120 15.521 448 HG12 VAL 60 2HG1 VAL 60 4.866 -9.292 16.302 449 HG13 VAL 60 3HG1 VAL 60 5.812 -8.172 17.281 450 HG21 VAL 60 3HG2 VAL 60 5.165 -5.772 17.418 451 HG22 VAL 60 1HG2 VAL 60 3.805 -5.163 16.475 452 HG23 VAL 60 2HG2 VAL 60 5.306 -5.618 15.667 453 H ALA 61 H ALA 61 3.651 -9.032 13.066 454 HA ALA 61 HA ALA 61 1.556 -10.839 13.407 455 HB1 ALA 61 3HB ALA 61 2.832 -10.648 11.332 456 HB2 ALA 61 1HB ALA 61 2.785 -12.319 11.894 457 HB3 ALA 61 2HB ALA 61 4.242 -11.352 12.125 458 H LYS 62 H LYS 62 1.411 -12.927 14.280 459 HA LYS 62 HA LYS 62 2.667 -13.373 16.759 460 HB2 LYS 62 2HB LYS 62 0.433 -14.283 15.963 461 HB3 LYS 62 1HB LYS 62 1.332 -15.483 15.045 462 HG2 LYS 62 2HG LYS 62 0.523 -16.392 17.162 463 HG3 LYS 62 1HG LYS 62 2.288 -16.377 17.102 464 HD2 LYS 62 2HD LYS 62 2.347 -14.374 18.484 465 HD3 LYS 62 1HD LYS 62 0.585 -14.284 18.473 466 HE2 LYS 62 2HE LYS 62 2.164 -16.592 19.619 467 HE3 LYS 62 1HE LYS 62 1.552 -15.238 20.568 468 HZ1 LYS 62 3HZ LYS 62 0.065 -17.125 20.682 469 HZ2 LYS 62 1HZ LYS 62 -0.102 -17.137 19.000 470 HZ3 LYS 62 2HZ LYS 62 -0.694 -15.833 19.897 471 H ASN 63 H ASN 63 3.682 -14.106 13.556 472 HA ASN 63 HA ASN 63 5.707 -16.036 14.212 473 HB2 ASN 63 2HB ASN 63 5.514 -14.155 11.843 474 HB3 ASN 63 1HB ASN 63 6.574 -15.554 11.961 475 HD21 ASN 63 1HD2 ASN 63 4.392 -14.857 10.091 476 HD22 ASN 63 2HD2 ASN 63 3.332 -16.212 10.125 477 H ASP 64 H ASP 64 5.486 -13.099 15.429 478 HA ASP 64 HA ASP 64 6.847 -11.491 16.236 479 HB2 ASP 64 2HB ASP 64 8.156 -13.466 17.048 480 HB3 ASP 64 1HB ASP 64 9.134 -13.374 15.587 481 H LYS 65 H LYS 65 6.018 -10.536 14.143 482 HA LYS 65 HA LYS 65 8.282 -9.521 12.556 483 HB2 LYS 65 2HB LYS 65 5.658 -10.494 11.385 484 HB3 LYS 65 1HB LYS 65 6.927 -9.675 10.484 485 HG2 LYS 65 2HG LYS 65 8.442 -11.533 10.871 486 HG3 LYS 65 1HG LYS 65 7.227 -12.345 11.862 487 HD2 LYS 65 2HD LYS 65 5.752 -12.549 9.934 488 HD3 LYS 65 1HD LYS 65 6.893 -11.656 8.934 489 HE2 LYS 65 2HE LYS 65 8.567 -13.453 9.327 490 HE3 LYS 65 1HE LYS 65 7.333 -14.361 10.200 491 HZ1 LYS 65 3HZ LYS 65 5.988 -14.331 8.149 492 HZ2 LYS 65 1HZ LYS 65 7.461 -15.135 7.952 493 HZ3 LYS 65 2HZ LYS 65 7.267 -13.575 7.337 494 HA PRO 66 HA PRO 66 5.810 -5.870 13.740 495 HB2 PRO 66 2HB PRO 66 7.823 -4.090 13.748 496 HB3 PRO 66 1HB PRO 66 7.619 -5.266 15.053 497 HG2 PRO 66 2HG PRO 66 9.495 -5.336 12.715 498 HG3 PRO 66 1HG PRO 66 9.806 -5.753 14.410 499 HD2 PRO 66 2HD PRO 66 9.283 -7.601 12.439 500 HD3 PRO 66 1HD PRO 66 8.976 -7.876 14.163 501 H TYR 67 H TYR 67 4.534 -5.164 12.114 502 HA TYR 67 HA TYR 67 5.741 -3.601 9.949 503 HD1 TYR 67 HD2 TYR 67 4.525 -7.334 10.846 504 HD2 TYR 67 HD1 TYR 67 2.001 -5.168 8.184 505 HE1 TYR 67 HE2 TYR 67 2.670 -8.853 11.373 506 HE2 TYR 67 HE1 TYR 67 0.141 -6.689 8.708 507 HH TYR 67 HH TYR 67 0.115 -8.724 11.324 508 HB2 TYR 67 2HB TYR 67 4.305 -4.671 8.247 509 HB3 TYR 67 1HB TYR 67 5.432 -5.814 8.964 510 H PHE 68 H PHE 68 3.674 -2.719 8.550 511 HA PHE 68 HA PHE 68 1.514 -2.003 10.392 512 HD1 PHE 68 HD2 PHE 68 5.134 -0.467 8.988 513 HD2 PHE 68 HD1 PHE 68 1.478 1.328 7.731 514 HE1 PHE 68 HE2 PHE 68 6.289 0.534 7.058 515 HE2 PHE 68 HE1 PHE 68 2.633 2.331 5.803 516 HZ PHE 68 HZ PHE 68 5.041 1.937 5.466 517 HB2 PHE 68 2HB PHE 68 1.643 0.364 9.891 518 HB3 PHE 68 1HB PHE 68 3.183 -0.178 10.537 519 H ASN 69 H ASN 69 -0.439 -1.650 9.475 520 HA ASN 69 HA ASN 69 -0.695 -2.133 6.577 521 HB2 ASN 69 2HB ASN 69 -1.849 -3.774 7.960 522 HB3 ASN 69 1HB ASN 69 -2.678 -2.500 8.844 523 HD21 ASN 69 1HD2 ASN 69 -2.438 -4.171 5.794 524 HD22 ASN 69 2HD2 ASN 69 -3.974 -3.678 5.199 525 H LEU 70 H LEU 70 -2.413 -0.911 5.451 526 HA LEU 70 HA LEU 70 -2.806 1.794 6.566 527 HG LEU 70 HG LEU 70 -3.650 3.177 3.962 528 HB2 LEU 70 2HB LEU 70 -1.106 1.733 4.745 529 HB3 LEU 70 1HB LEU 70 -2.323 1.084 3.661 530 HD11 LEU 70 1HD1 LEU 70 -1.209 4.119 5.465 531 HD12 LEU 70 2HD1 LEU 70 -2.819 3.857 6.137 532 HD13 LEU 70 3HD1 LEU 70 -2.557 5.136 4.951 533 HD21 LEU 70 3HD2 LEU 70 -2.260 4.561 2.539 534 HD22 LEU 70 1HD2 LEU 70 -2.136 2.871 2.048 535 HD23 LEU 70 2HD2 LEU 70 -0.831 3.619 2.972 536 H LYS 71 H LYS 71 -4.870 2.416 6.711 537 HA LYS 71 HA LYS 71 -6.914 0.893 5.208 538 HB2 LYS 71 2HB LYS 71 -7.117 2.027 8.009 539 HB3 LYS 71 1HB LYS 71 -8.407 1.195 7.146 540 HG2 LYS 71 2HG LYS 71 -7.048 -0.848 7.100 541 HG3 LYS 71 1HG LYS 71 -5.770 -0.010 7.984 542 HD2 LYS 71 2HD LYS 71 -7.359 0.387 9.840 543 HD3 LYS 71 1HD LYS 71 -8.583 -0.531 8.961 544 HE2 LYS 71 2HE LYS 71 -7.108 -2.510 9.027 545 HE3 LYS 71 1HE LYS 71 -5.933 -1.580 9.958 546 HZ1 LYS 71 3HZ LYS 71 -7.633 -1.284 11.680 547 HZ2 LYS 71 1HZ LYS 71 -7.274 -2.915 11.421 548 HZ3 LYS 71 2HZ LYS 71 -8.697 -2.257 10.797 549 H ALA 72 H ALA 72 -8.779 1.968 4.531 550 HA ALA 72 HA ALA 72 -8.577 4.874 4.250 551 HB1 ALA 72 3HB ALA 72 -9.099 3.508 2.272 552 HB2 ALA 72 1HB ALA 72 -10.381 4.661 2.635 553 HB3 ALA 72 2HB ALA 72 -10.581 2.960 3.052 554 H ALA 73 H ALA 73 -10.969 5.926 4.288 555 HA ALA 73 HA ALA 73 -11.548 6.358 6.945 556 HB1 ALA 73 3HB ALA 73 -13.461 6.704 4.634 557 HB2 ALA 73 1HB ALA 73 -12.218 7.857 5.123 558 HB3 ALA 73 2HB ALA 73 -13.568 7.503 6.204 559 H ASN 74 H ASN 74 -13.383 4.176 4.755 560 HA ASN 74 HA ASN 74 -15.195 3.353 6.829 561 HB2 ASN 74 2HB ASN 74 -15.745 3.359 4.381 562 HB3 ASN 74 1HB ASN 74 -14.662 1.983 4.180 563 HD21 ASN 74 1HD2 ASN 74 -16.293 0.613 3.500 564 HD22 ASN 74 2HD2 ASN 74 -17.511 0.014 4.567 565 H HIS 75 H HIS 75 -12.100 2.822 6.942 566 HA HIS 75 HA HIS 75 -10.835 1.430 8.235 567 HD1 HIS 75 HD1 HIS 75 -13.163 3.165 9.110 568 HD2 HIS 75 HD2 HIS 75 -12.394 0.348 12.069 569 HE1 HIS 75 HE1 HIS 75 -13.341 4.401 11.282 570 HE2 HIS 75 HE2 HIS 75 -13.026 2.649 13.052 571 HB2 HIS 75 2HB HIS 75 -13.494 0.090 8.766 572 HB3 HIS 75 1HB HIS 75 -11.989 -0.440 9.503 573 H GLN 76 H GLN 76 -11.826 0.844 5.362 574 HA GLN 76 HA GLN 76 -11.481 -1.991 5.021 575 HB2 GLN 76 2HB GLN 76 -11.734 -1.520 2.652 576 HB3 GLN 76 1HB GLN 76 -12.933 -0.601 3.559 577 HG2 GLN 76 2HG GLN 76 -11.211 1.318 3.468 578 HG3 GLN 76 1HG GLN 76 -10.465 0.383 2.171 579 HE21 GLN 76 1HE2 GLN 76 -13.182 2.276 3.138 580 HE22 GLN 76 2HE2 GLN 76 -13.900 2.428 1.573 581 H ILE 77 H ILE 77 -9.729 -3.056 4.054 582 HA ILE 77 HA ILE 77 -7.140 -1.889 4.543 583 HB ILE 77 HB ILE 77 -7.795 -4.525 3.203 584 HG12 ILE 77 2HG1 ILE 77 -8.800 -4.433 5.434 585 HG13 ILE 77 1HG1 ILE 77 -7.431 -5.538 5.433 586 HG21 ILE 77 1HG2 ILE 77 -5.248 -3.560 4.523 587 HG22 ILE 77 2HG2 ILE 77 -5.505 -3.778 2.790 588 HG23 ILE 77 3HG2 ILE 77 -5.522 -5.176 3.866 589 HD11 ILE 77 3HD1 ILE 77 -7.433 -2.719 6.492 590 HD12 ILE 77 1HD1 ILE 77 -6.050 -3.813 6.482 591 HD13 ILE 77 2HD1 ILE 77 -7.473 -4.199 7.449 592 H ILE 78 H ILE 78 -6.236 -0.487 3.146 593 HA ILE 78 HA ILE 78 -6.690 -0.879 0.254 594 HB ILE 78 HB ILE 78 -5.958 1.467 -0.044 595 HG12 ILE 78 2HG1 ILE 78 -5.969 1.526 2.989 596 HG13 ILE 78 1HG1 ILE 78 -4.551 1.683 1.958 597 HG21 ILE 78 1HG2 ILE 78 -7.997 2.507 0.863 598 HG22 ILE 78 2HG2 ILE 78 -8.265 1.085 1.871 599 HG23 ILE 78 3HG2 ILE 78 -8.331 0.945 0.113 600 HD11 ILE 78 3HD1 ILE 78 -5.218 3.839 2.793 601 HD12 ILE 78 1HD1 ILE 78 -6.845 3.622 2.150 602 HD13 ILE 78 2HD1 ILE 78 -5.475 3.774 1.050 603 H GLY 79 H GLY 79 -4.235 -1.001 2.699 604 HA2 GLY 79 2HA GLY 79 -2.404 -2.099 0.755 605 HA3 GLY 79 1HA GLY 79 -1.889 -0.533 1.354 606 H THR 80 H THR 80 -0.600 -3.141 1.637 607 HA THR 80 HA THR 80 -0.278 -3.079 4.571 608 HB THR 80 HB THR 80 -0.280 -5.603 2.878 609 HG1 THR 80 HG1 THR 80 -2.069 -6.116 4.359 610 HG21 THR 80 3HG2 THR 80 1.404 -5.721 4.655 611 HG22 THR 80 1HG2 THR 80 0.048 -6.795 5.008 612 HG23 THR 80 2HG2 THR 80 0.192 -5.250 5.848 613 H SER 81 H SER 81 1.844 -2.979 5.238 614 HA SER 81 HA SER 81 3.792 -2.484 3.146 615 HG SER 81 HG SER 81 5.532 -1.080 3.957 616 HB2 SER 81 2HB SER 81 3.565 -1.015 5.160 617 HB3 SER 81 1HB SER 81 4.203 -2.337 6.138 618 H GLN 82 H GLN 82 6.192 -3.174 4.091 619 HA GLN 82 HA GLN 82 6.328 -5.943 3.385 620 HB2 GLN 82 2HB GLN 82 8.520 -4.129 4.425 621 HB3 GLN 82 1HB GLN 82 8.750 -5.672 3.614 622 HG2 GLN 82 2HG GLN 82 7.800 -4.742 1.562 623 HG3 GLN 82 1HG GLN 82 7.541 -3.200 2.378 624 HE21 GLN 82 1HE2 GLN 82 8.878 -2.104 0.937 625 HE22 GLN 82 2HE2 GLN 82 10.595 -2.268 0.971 626 H MET 83 H MET 83 7.565 -7.567 4.633 627 HA MET 83 HA MET 83 6.900 -7.568 7.456 628 HB2 MET 83 2HB MET 83 7.918 -9.850 7.451 629 HB3 MET 83 1HB MET 83 6.609 -9.657 6.297 630 HG2 MET 83 2HG MET 83 9.546 -9.574 5.613 631 HG3 MET 83 1HG MET 83 8.485 -10.966 5.401 632 HE1 MET 83 3HE MET 83 9.285 -11.067 2.826 633 HE2 MET 83 1HE MET 83 10.296 -9.646 3.085 634 HE3 MET 83 2HE MET 83 9.174 -9.692 1.727 635 H TYR 84 H TYR 84 8.161 -5.875 8.271 636 HA TYR 84 HA TYR 84 10.990 -5.710 7.839 637 HD1 TYR 84 HD2 TYR 84 11.431 -2.724 7.461 638 HD2 TYR 84 HD1 TYR 84 7.432 -3.780 8.474 639 HE1 TYR 84 HE2 TYR 84 10.591 -1.167 5.753 640 HE2 TYR 84 HE1 TYR 84 6.585 -2.227 6.771 641 HH TYR 84 HH TYR 84 7.195 -0.408 5.469 642 HB2 TYR 84 2HB TYR 84 9.277 -4.360 9.944 643 HB3 TYR 84 1HB TYR 84 10.934 -3.924 9.537 644 H SER 85 H SER 85 12.679 -6.206 9.259 645 HA SER 85 HA SER 85 12.092 -8.297 11.212 646 HG SER 85 HG SER 85 13.585 -9.641 9.533 647 HB2 SER 85 2HB SER 85 14.778 -7.194 10.331 648 HB3 SER 85 1HB SER 85 14.514 -8.649 11.292 649 H SER 86 H SER 86 12.373 -4.964 11.256 650 HA SER 86 HA SER 86 12.831 -4.947 14.158 651 HG SER 86 HG SER 86 14.080 -3.412 11.202 652 HB2 SER 86 2HB SER 86 14.374 -3.042 14.008 653 HB3 SER 86 1HB SER 86 15.015 -4.425 13.121 654 H THR 87 H THR 87 11.914 -3.180 15.268 655 HA THR 87 HA THR 87 9.490 -2.184 14.167 656 HB THR 87 HB THR 87 9.280 -0.864 16.238 657 HG1 THR 87 HG1 THR 87 11.401 -1.752 17.606 658 HG21 THR 87 3HG2 THR 87 10.315 -3.661 16.755 659 HG22 THR 87 1HG2 THR 87 8.671 -3.252 16.263 660 HG23 THR 87 2HG2 THR 87 9.280 -2.718 17.828 661 H ALA 88 H ALA 88 12.654 -0.690 14.746 662 HA ALA 88 HA ALA 88 12.047 1.956 14.114 663 HB1 ALA 88 3HB ALA 88 14.189 1.201 15.084 664 HB2 ALA 88 1HB ALA 88 14.417 2.256 13.689 665 HB3 ALA 88 2HB ALA 88 14.635 0.514 13.523 666 H ALA 89 H ALA 89 13.220 -0.610 11.908 667 HA ALA 89 HA ALA 89 13.201 0.861 9.537 668 HB1 ALA 89 3HB ALA 89 12.609 -2.078 9.869 669 HB2 ALA 89 1HB ALA 89 14.216 -1.358 9.761 670 HB3 ALA 89 2HB ALA 89 13.119 -1.279 8.381 671 H ARG 90 H ARG 90 10.585 -0.908 11.111 672 HA ARG 90 HA ARG 90 8.576 -0.719 9.197 673 HE ARG 90 HE ARG 90 7.030 0.498 13.363 674 HB2 ARG 90 2HB ARG 90 8.281 -2.028 11.204 675 HB3 ARG 90 1HB ARG 90 8.427 -0.598 12.215 676 HG2 ARG 90 2HG ARG 90 6.311 0.227 10.973 677 HG3 ARG 90 1HG ARG 90 6.127 -1.461 10.491 678 HD2 ARG 90 2HD ARG 90 4.855 -0.931 12.532 679 HD3 ARG 90 1HD ARG 90 6.100 -2.150 12.824 680 HH11 ARG 90 1HH1 ARG 90 5.135 -2.044 14.720 681 HH12 ARG 90 2HH1 ARG 90 5.531 -1.610 16.344 682 HH21 ARG 90 1HH2 ARG 90 7.508 1.059 15.425 683 HH22 ARG 90 2HH2 ARG 90 6.867 0.131 16.741 684 H ASP 91 H ASP 91 9.229 1.574 11.875 685 HA ASP 91 HA ASP 91 7.256 3.440 11.018 686 HB2 ASP 91 2HB ASP 91 9.575 3.760 12.936 687 HB3 ASP 91 1HB ASP 91 8.290 4.947 12.714 688 H ASN 92 H ASN 92 10.688 3.092 10.312 689 HA ASN 92 HA ASN 92 10.969 5.555 8.911 690 HB2 ASN 92 2HB ASN 92 12.488 2.947 8.640 691 HB3 ASN 92 1HB ASN 92 12.945 4.449 7.839 692 HD21 ASN 92 1HD2 ASN 92 14.460 2.931 9.761 693 HD22 ASN 92 2HD2 ASN 92 14.745 3.979 11.102 694 H GLY 93 H GLY 93 9.750 2.376 7.997 695 HA2 GLY 93 2HA GLY 93 9.361 2.896 5.238 696 HA3 GLY 93 1HA GLY 93 8.433 1.760 6.209 697 H ILE 94 H ILE 94 7.411 3.612 8.100 698 HA ILE 94 HA ILE 94 5.117 4.605 6.832 699 HB ILE 94 HB ILE 94 6.293 5.436 9.494 700 HG12 ILE 94 2HG1 ILE 94 4.186 3.368 8.790 701 HG13 ILE 94 1HG1 ILE 94 5.830 3.025 9.318 702 HG21 ILE 94 1HG2 ILE 94 4.016 6.190 10.057 703 HG22 ILE 94 2HG2 ILE 94 3.495 5.828 8.411 704 HG23 ILE 94 3HG2 ILE 94 4.686 7.096 8.700 705 HD11 ILE 94 3HD1 ILE 94 5.352 4.004 11.486 706 HD12 ILE 94 1HD1 ILE 94 4.209 2.717 11.107 707 HD13 ILE 94 2HD1 ILE 94 3.718 4.404 10.959 708 H LYS 95 H LYS 95 8.050 6.422 7.906 709 HA LYS 95 HA LYS 95 7.167 8.919 6.910 710 HB2 LYS 95 2HB LYS 95 9.413 9.705 7.106 711 HB3 LYS 95 1HB LYS 95 9.155 8.580 8.432 712 HG2 LYS 95 2HG LYS 95 10.393 6.862 7.286 713 HG3 LYS 95 1HG LYS 95 10.552 7.878 5.853 714 HD2 LYS 95 2HD LYS 95 11.859 9.505 7.202 715 HD3 LYS 95 1HD LYS 95 11.753 8.403 8.579 716 HE2 LYS 95 2HE LYS 95 12.933 6.679 7.294 717 HE3 LYS 95 1HE LYS 95 13.032 7.771 5.913 718 HZ1 LYS 95 3HZ LYS 95 14.271 8.246 8.567 719 HZ2 LYS 95 1HZ LYS 95 14.388 9.261 7.223 720 HZ3 LYS 95 2HZ LYS 95 15.088 7.726 7.183 721 H SER 96 H SER 96 8.874 6.240 5.358 722 HA SER 96 HA SER 96 9.500 7.422 2.906 723 HG SER 96 HG SER 96 10.594 5.061 4.581 724 HB2 SER 96 2HB SER 96 8.740 4.543 3.475 725 HB3 SER 96 1HB SER 96 9.476 5.107 1.977 726 H VAL 97 H VAL 97 6.468 5.802 3.903 727 HA VAL 97 HA VAL 97 5.298 6.065 1.298 728 HB VAL 97 HB VAL 97 4.594 4.236 2.720 729 HG11 VAL 97 1HG1 VAL 97 3.421 6.330 4.547 730 HG12 VAL 97 2HG1 VAL 97 4.777 5.259 4.905 731 HG13 VAL 97 3HG1 VAL 97 3.161 4.589 4.679 732 HG21 VAL 97 3HG2 VAL 97 3.029 4.995 1.031 733 HG22 VAL 97 1HG2 VAL 97 2.342 6.172 2.151 734 HG23 VAL 97 2HG2 VAL 97 2.154 4.446 2.459 735 H MET 98 H MET 98 5.001 7.978 4.307 736 HA MET 98 HA MET 98 2.913 9.621 3.313 737 HB2 MET 98 2HB MET 98 3.337 11.105 5.161 738 HB3 MET 98 1HB MET 98 3.459 9.446 5.721 739 HG2 MET 98 2HG MET 98 5.206 10.528 6.783 740 HG3 MET 98 1HG MET 98 5.985 9.730 5.420 741 HE1 MET 98 3HE MET 98 8.075 11.387 6.003 742 HE2 MET 98 1HE MET 98 7.134 12.225 7.237 743 HE3 MET 98 2HE MET 98 7.948 13.145 5.972 744 H GLU 99 H GLU 99 6.380 9.714 2.863 745 HA GLU 99 HA GLU 99 6.373 12.281 1.529 746 HB2 GLU 99 2HB GLU 99 8.457 10.095 1.715 747 HB3 GLU 99 1HB GLU 99 8.716 11.618 0.874 748 HG2 GLU 99 2HG GLU 99 8.414 12.845 2.945 749 HG3 GLU 99 1HG GLU 99 8.065 11.346 3.806 750 H ASN 100 H ASN 100 6.842 8.912 0.398 751 HA ASN 100 HA ASN 100 6.906 9.757 -2.363 752 HB2 ASN 100 2HB ASN 100 7.081 7.054 -1.033 753 HB3 ASN 100 1HB ASN 100 7.099 7.253 -2.783 754 HD21 ASN 100 1HD2 ASN 100 8.842 7.842 0.180 755 HD22 ASN 100 2HD2 ASN 100 10.364 8.176 -0.562 756 H GLY 101 H GLY 101 4.393 8.780 -0.242 757 HA2 GLY 101 2HA GLY 101 2.741 7.478 -2.217 758 HA3 GLY 101 1HA GLY 101 2.273 7.893 -0.581 759 H LYS 102 H LYS 102 3.374 10.729 -1.641 760 HA LYS 102 HA LYS 102 0.707 11.714 -2.272 761 HB2 LYS 102 2HB LYS 102 3.336 13.190 -1.954 762 HB3 LYS 102 1HB LYS 102 1.753 13.944 -2.100 763 HG2 LYS 102 2HG LYS 102 1.046 12.968 -0.003 764 HG3 LYS 102 1HG LYS 102 2.567 12.085 0.130 765 HD2 LYS 102 2HD LYS 102 2.275 15.097 0.122 766 HD3 LYS 102 1HD LYS 102 2.541 14.096 1.550 767 HE2 LYS 102 2HE LYS 102 4.687 13.330 0.569 768 HE3 LYS 102 1HE LYS 102 4.428 14.423 -0.790 769 HZ1 LYS 102 3HZ LYS 102 4.445 16.281 0.761 770 HZ2 LYS 102 1HZ LYS 102 5.885 15.400 0.856 771 HZ3 LYS 102 2HZ LYS 102 4.708 15.223 2.054 772 H THR 103 H THR 103 2.727 10.192 -4.162 773 HA THR 103 HA THR 103 3.189 12.044 -6.320 774 HB THR 103 HB THR 103 4.780 10.248 -5.967 775 HG1 THR 103 HG1 THR 103 4.887 9.520 -8.108 776 HG21 THR 103 3HG2 THR 103 4.214 7.909 -6.354 777 HG22 THR 103 1HG2 THR 103 2.534 8.347 -6.662 778 HG23 THR 103 2HG2 THR 103 3.222 8.568 -5.055 779 H THR 104 H THR 104 2.116 12.261 -8.221 780 HA THR 104 HA THR 104 -0.535 11.060 -8.462 781 HB THR 104 HB THR 104 -0.825 12.598 -10.393 782 HG1 THR 104 HG1 THR 104 0.878 13.508 -11.254 783 HG21 THR 104 3HG2 THR 104 0.197 13.962 -7.894 784 HG22 THR 104 1HG2 THR 104 -1.438 13.339 -8.129 785 HG23 THR 104 2HG2 THR 104 -0.856 14.683 -9.113 786 H THR 105 H THR 105 2.527 10.188 -9.386 787 HA THR 105 HA THR 105 2.107 9.355 -12.084 788 HB THR 105 HB THR 105 4.172 8.342 -10.107 789 HG1 THR 105 HG1 THR 105 5.020 10.068 -12.059 790 HG21 THR 105 3HG2 THR 105 4.119 8.227 -13.132 791 HG22 THR 105 1HG2 THR 105 3.921 6.855 -12.041 792 HG23 THR 105 2HG2 THR 105 5.460 7.713 -12.108 793 H ILE 106 H ILE 106 0.349 8.017 -12.364 794 HA ILE 106 HA ILE 106 0.290 5.495 -10.828 795 HB ILE 106 HB ILE 106 -1.921 6.708 -12.510 796 HG12 ILE 106 2HG1 ILE 106 -1.599 6.632 -9.490 797 HG13 ILE 106 1HG1 ILE 106 -1.417 8.064 -10.498 798 HG21 ILE 106 1HG2 ILE 106 -3.355 5.020 -11.432 799 HG22 ILE 106 2HG2 ILE 106 -1.947 4.355 -10.604 800 HG23 ILE 106 3HG2 ILE 106 -2.059 4.269 -12.363 801 HD11 ILE 106 3HD1 ILE 106 -3.572 8.034 -9.386 802 HD12 ILE 106 1HD1 ILE 106 -3.949 6.476 -10.120 803 HD13 ILE 106 2HD1 ILE 106 -3.772 7.908 -11.134 804 H LYS 107 H LYS 107 1.522 4.059 -11.890 805 HA LYS 107 HA LYS 107 1.463 3.859 -14.801 806 HB2 LYS 107 2HB LYS 107 3.139 2.434 -12.725 807 HB3 LYS 107 1HB LYS 107 3.303 2.210 -14.457 808 HG2 LYS 107 2HG LYS 107 3.941 4.552 -14.709 809 HG3 LYS 107 1HG LYS 107 3.746 4.798 -12.974 810 HD2 LYS 107 2HD LYS 107 6.077 4.519 -13.384 811 HD3 LYS 107 1HD LYS 107 5.510 3.036 -12.619 812 HE2 LYS 107 2HE LYS 107 5.838 3.358 -15.606 813 HE3 LYS 107 1HE LYS 107 7.100 2.730 -14.552 814 HZ1 LYS 107 3HZ LYS 107 5.543 0.950 -13.892 815 HZ2 LYS 107 1HZ LYS 107 5.922 0.924 -15.540 816 HZ3 LYS 107 2HZ LYS 107 4.430 1.524 -15.031 817 H ASP 108 H ASP 108 0.296 2.367 -15.866 818 HA ASP 108 HA ASP 108 -1.017 0.228 -14.381 819 HB2 ASP 108 2HB ASP 108 -2.475 1.342 -15.877 820 HB3 ASP 108 1HB ASP 108 -1.293 1.305 -17.185 821 H LEU 109 H LEU 109 -0.540 -1.907 -14.560 822 HA LEU 109 HA LEU 109 1.444 -2.761 -16.581 823 HG LEU 109 HG LEU 109 2.345 -1.693 -13.750 824 HB2 LEU 109 2HB LEU 109 1.098 -3.828 -13.770 825 HB3 LEU 109 1HB LEU 109 2.214 -4.465 -14.964 826 HD11 LEU 109 1HD1 LEU 109 4.048 -4.139 -13.272 827 HD12 LEU 109 2HD1 LEU 109 2.915 -3.411 -12.133 828 HD13 LEU 109 3HD1 LEU 109 4.358 -2.526 -12.625 829 HD21 LEU 109 3HD2 LEU 109 3.206 -1.715 -16.029 830 HD22 LEU 109 1HD2 LEU 109 4.231 -3.100 -15.648 831 HD23 LEU 109 2HD2 LEU 109 4.524 -1.542 -14.872 832 H THR 110 H THR 110 -1.738 -2.955 -15.762 833 HA THR 110 HA THR 110 -2.141 -5.816 -16.121 834 HB THR 110 HB THR 110 -4.418 -5.489 -15.643 835 HG1 THR 110 HG1 THR 110 -4.208 -2.684 -16.102 836 HG21 THR 110 3HG2 THR 110 -3.045 -4.965 -13.691 837 HG22 THR 110 1HG2 THR 110 -4.515 -3.988 -13.697 838 HG23 THR 110 2HG2 THR 110 -2.978 -3.272 -14.180 839 H LEU 111 H LEU 111 -2.817 -2.836 -17.914 840 HA LEU 111 HA LEU 111 -3.736 -4.283 -20.272 841 HG LEU 111 HG LEU 111 -4.694 -1.965 -18.212 842 HB2 LEU 111 2HB LEU 111 -3.104 -1.336 -20.079 843 HB3 LEU 111 1HB LEU 111 -4.202 -2.134 -21.189 844 HD11 LEU 111 1HD1 LEU 111 -5.732 -0.155 -20.395 845 HD12 LEU 111 2HD1 LEU 111 -4.596 0.287 -19.116 846 HD13 LEU 111 3HD1 LEU 111 -6.257 -0.147 -18.710 847 HD21 LEU 111 3HD2 LEU 111 -7.010 -2.496 -18.839 848 HD22 LEU 111 1HD2 LEU 111 -5.893 -3.771 -19.329 849 HD23 LEU 111 2HD2 LEU 111 -6.518 -2.638 -20.526 850 H GLU 112 H GLU 112 -1.029 -2.230 -19.285 851 HA GLU 112 HA GLU 112 0.601 -3.270 -21.526 852 HB2 GLU 112 2HB GLU 112 0.725 -0.441 -20.466 853 HB3 GLU 112 1HB GLU 112 1.543 -1.086 -21.882 854 HG2 GLU 112 2HG GLU 112 -0.484 -1.227 -23.103 855 HG3 GLU 112 1HG GLU 112 -1.454 -0.926 -21.661 856 H HIS 113 H HIS 113 2.585 -4.030 -20.905 857 HA HIS 113 HA HIS 113 3.761 -2.994 -18.425 858 HD1 HIS 113 HD1 HIS 113 1.229 -6.510 -17.829 859 HD2 HIS 113 HD2 HIS 113 4.092 -6.741 -20.837 860 HE1 HIS 113 HE1 HIS 113 0.444 -8.333 -19.362 861 HE2 HIS 113 HE2 HIS 113 2.142 -8.408 -21.217 862 HB2 HIS 113 2HB HIS 113 4.590 -5.493 -18.087 863 HB3 HIS 113 1HB HIS 113 3.055 -4.933 -17.441 864 H HIS 114 H HIS 114 5.283 -1.832 -19.438 865 HA HIS 114 HA HIS 114 6.855 -2.840 -21.618 866 HD1 HIS 114 HD1 HIS 114 7.406 -0.567 -23.651 867 HD2 HIS 114 HD2 HIS 114 10.068 -0.253 -20.475 868 HE1 HIS 114 HE1 HIS 114 9.620 -0.003 -24.684 869 HE2 HIS 114 HE2 HIS 114 11.205 0.240 -22.746 870 HB2 HIS 114 2HB HIS 114 6.272 -0.431 -21.323 871 HB3 HIS 114 1HB HIS 114 7.324 -0.378 -19.912 872 H HIS 115 H HIS 115 8.838 -3.758 -21.598 873 HA HIS 115 HA HIS 115 10.010 -4.403 -18.979 874 HD1 HIS 115 HD1 HIS 115 9.405 -7.177 -18.462 875 HD2 HIS 115 HD2 HIS 115 8.119 -6.620 -22.379 876 HE1 HIS 115 HE1 HIS 115 7.310 -8.537 -18.684 877 HE2 HIS 115 HE2 HIS 115 6.480 -8.079 -21.012 878 HB2 HIS 115 2HB HIS 115 10.586 -5.606 -21.702 879 HB3 HIS 115 1HB HIS 115 11.221 -6.175 -20.160 880 H HIS 116 H HIS 116 12.203 -4.059 -18.511 881 HA HIS 116 HA HIS 116 13.529 -2.055 -20.237 882 HD1 HIS 116 HD1 HIS 116 13.168 0.774 -19.021 883 HD2 HIS 116 HD2 HIS 116 11.178 -1.951 -16.592 884 HE1 HIS 116 HE1 HIS 116 11.036 1.911 -18.342 885 HE2 HIS 116 HE2 HIS 116 9.891 0.282 -16.804 886 HB2 HIS 116 2HB HIS 116 13.832 -2.467 -17.251 887 HB3 HIS 116 1HB HIS 116 14.635 -1.224 -18.207 888 H HIS 117 H HIS 117 15.626 -2.325 -20.839 889 HA HIS 117 HA HIS 117 17.231 -4.473 -19.676 890 HD1 HIS 117 HD1 HIS 117 14.444 -4.265 -23.013 891 HD2 HIS 117 HD2 HIS 117 18.423 -3.596 -24.005 892 HE1 HIS 117 HE1 HIS 117 14.397 -3.046 -25.205 893 HE2 HIS 117 HE2 HIS 117 16.803 -2.499 -25.691 894 HB2 HIS 117 2HB HIS 117 17.831 -5.374 -21.908 895 HB3 HIS 117 1HB HIS 117 16.118 -5.572 -21.553 896 H HIS 118 H HIS 118 19.445 -4.082 -19.760 897 HA HIS 118 HA HIS 118 20.442 -1.792 -21.253 898 HD1 HIS 118 HD1 HIS 118 22.291 -1.569 -17.025 899 HD2 HIS 118 HD2 HIS 118 18.321 -2.640 -17.608 900 HE1 HIS 118 HE1 HIS 118 21.576 -2.673 -14.894 901 HE2 HIS 118 HE2 HIS 118 19.124 -3.136 -15.201 902 HB2 HIS 118 2HB HIS 118 21.408 -0.726 -19.185 903 HB3 HIS 118 1HB HIS 118 19.657 -0.632 -19.317 Start of MODEL 13 1 HA MET 1 HA MET 1 6.576 14.006 -3.901 2 H1 MET 1 1H MET 1 8.999 13.297 -2.354 3 H2 MET 1 2H MET 1 7.507 12.513 -2.249 4 H3 MET 1 3H MET 1 7.644 14.128 -1.775 5 HB2 MET 1 2HB MET 1 9.423 15.017 -4.101 6 HB3 MET 1 1HB MET 1 8.107 15.464 -5.180 7 HG2 MET 1 2HG MET 1 8.300 16.057 -2.234 8 HG3 MET 1 1HG MET 1 8.475 17.207 -3.561 9 HE1 MET 1 3HE MET 1 6.488 17.612 -1.069 10 HE2 MET 1 1HE MET 1 5.072 18.247 -1.903 11 HE3 MET 1 2HE MET 1 6.686 18.784 -2.372 12 H SER 2 H SER 2 9.369 11.966 -3.633 13 HA SER 2 HA SER 2 9.313 11.111 -6.408 14 HG SER 2 HG SER 2 11.308 12.209 -5.026 15 HB2 SER 2 2HB SER 2 10.831 10.001 -4.022 16 HB3 SER 2 1HB SER 2 11.050 9.484 -5.693 17 H GLY 3 H GLY 3 9.466 8.476 -6.513 18 HA2 GLY 3 2HA GLY 3 8.555 6.398 -5.816 19 HA3 GLY 3 1HA GLY 3 7.392 7.262 -4.827 20 H TRP 4 H TRP 4 6.460 5.216 -6.304 21 HA TRP 4 HA TRP 4 4.482 6.498 -7.916 22 HD1 TRP 4 HD1 TRP 4 5.311 2.822 -10.299 23 HE1 TRP 4 HE1 TRP 4 7.413 1.340 -10.320 24 HE3 TRP 4 HE3 TRP 4 8.712 6.192 -8.474 25 HZ2 TRP 4 HZ2 TRP 4 10.144 1.562 -9.655 26 HZ3 TRP 4 HZ3 TRP 4 11.051 5.474 -8.204 27 HH2 TRP 4 HH2 TRP 4 11.752 3.206 -8.782 28 HB2 TRP 4 2HB TRP 4 4.941 5.423 -10.053 29 HB3 TRP 4 1HB TRP 4 6.315 6.408 -9.570 30 H TYR 5 H TYR 5 2.899 4.947 -8.834 31 HA TYR 5 HA TYR 5 2.685 2.516 -7.167 32 HD1 TYR 5 HD1 TYR 5 1.277 6.171 -7.268 33 HD2 TYR 5 HD2 TYR 5 0.059 2.584 -5.315 34 HE1 TYR 5 HE1 TYR 5 0.971 7.417 -5.172 35 HE2 TYR 5 HE2 TYR 5 -0.244 3.826 -3.215 36 HH TYR 5 HH TYR 5 -0.123 7.286 -3.088 37 HB2 TYR 5 2HB TYR 5 0.536 4.153 -8.545 38 HB3 TYR 5 1HB TYR 5 0.238 2.642 -7.695 39 H GLU 6 H GLU 6 2.364 0.525 -8.113 40 HA GLU 6 HA GLU 6 2.010 0.446 -11.046 41 HB2 GLU 6 2HB GLU 6 3.782 -1.274 -9.311 42 HB3 GLU 6 1HB GLU 6 3.270 -1.788 -10.912 43 HG2 GLU 6 2HG GLU 6 4.314 0.218 -11.878 44 HG3 GLU 6 1HG GLU 6 4.849 0.702 -10.272 45 H LEU 7 H LEU 7 0.028 -0.256 -11.490 46 HA LEU 7 HA LEU 7 -1.296 -2.204 -9.731 47 HG LEU 7 HG LEU 7 -3.591 -2.731 -11.726 48 HB2 LEU 7 2HB LEU 7 -2.605 -0.243 -10.317 49 HB3 LEU 7 1HB LEU 7 -2.342 -0.539 -12.027 50 HD11 LEU 7 1HD1 LEU 7 -3.394 -2.936 -9.315 51 HD12 LEU 7 2HD1 LEU 7 -5.088 -2.910 -9.799 52 HD13 LEU 7 3HD1 LEU 7 -4.351 -1.472 -9.092 53 HD21 LEU 7 3HD2 LEU 7 -5.114 -0.176 -11.212 54 HD22 LEU 7 1HD2 LEU 7 -5.788 -1.681 -11.839 55 HD23 LEU 7 2HD2 LEU 7 -4.604 -0.785 -12.790 56 H SER 8 H SER 8 -1.332 -4.311 -10.256 57 HA SER 8 HA SER 8 -1.058 -5.062 -13.100 58 HG SER 8 HG SER 8 1.362 -7.556 -12.538 59 HB2 SER 8 2HB SER 8 1.101 -5.420 -11.984 60 HB3 SER 8 1HB SER 8 0.316 -6.403 -10.749 61 H LYS 9 H LYS 9 -1.981 -7.081 -13.705 62 HA LYS 9 HA LYS 9 -4.292 -7.811 -12.050 63 HB2 LYS 9 2HB LYS 9 -4.727 -7.173 -14.383 64 HB3 LYS 9 1HB LYS 9 -3.658 -8.452 -14.944 65 HG2 LYS 9 2HG LYS 9 -5.172 -10.119 -13.918 66 HG3 LYS 9 1HG LYS 9 -6.264 -8.812 -13.463 67 HD2 LYS 9 2HD LYS 9 -5.446 -9.510 -16.289 68 HD3 LYS 9 1HD LYS 9 -6.974 -9.955 -15.529 69 HE2 LYS 9 2HE LYS 9 -7.518 -7.574 -15.249 70 HE3 LYS 9 1HE LYS 9 -5.998 -7.140 -16.030 71 HZ1 LYS 9 3HZ LYS 9 -8.257 -8.614 -17.271 72 HZ2 LYS 9 1HZ LYS 9 -6.772 -8.311 -18.026 73 HZ3 LYS 9 2HZ LYS 9 -7.786 -7.025 -17.607 74 H SER 10 H SER 10 -4.590 -9.831 -11.220 75 HA SER 10 HA SER 10 -2.314 -11.650 -11.251 76 HG SER 10 HG SER 10 -4.152 -13.614 -8.897 77 HB2 SER 10 2HB SER 10 -3.409 -11.132 -9.101 78 HB3 SER 10 1HB SER 10 -4.917 -11.820 -9.702 79 H SER 11 H SER 11 -2.983 -14.086 -11.184 80 HA SER 11 HA SER 11 -3.721 -14.754 -13.826 81 HG SER 11 HG SER 11 -2.928 -17.408 -10.835 82 HB2 SER 11 2HB SER 11 -3.539 -17.103 -13.053 83 HB3 SER 11 1HB SER 11 -2.163 -16.122 -12.548 84 H ASN 12 H ASN 12 -5.728 -14.099 -11.172 85 HA ASN 12 HA ASN 12 -7.944 -15.687 -12.290 86 HB2 ASN 12 2HB ASN 12 -9.075 -15.276 -10.130 87 HB3 ASN 12 1HB ASN 12 -7.528 -16.080 -9.928 88 HD21 ASN 12 1HD2 ASN 12 -8.926 -14.662 -7.943 89 HD22 ASN 12 2HD2 ASN 12 -7.946 -13.323 -7.470 90 H ASP 13 H ASP 13 -6.761 -12.866 -12.996 91 HA ASP 13 HA ASP 13 -7.576 -11.077 -14.126 92 HB2 ASP 13 2HB ASP 13 -9.320 -12.654 -14.953 93 HB3 ASP 13 1HB ASP 13 -10.340 -12.192 -13.596 94 H GLN 14 H GLN 14 -7.725 -11.469 -10.942 95 HA GLN 14 HA GLN 14 -9.227 -9.061 -10.289 96 HB2 GLN 14 2HB GLN 14 -7.477 -10.786 -8.519 97 HB3 GLN 14 1HB GLN 14 -8.496 -9.462 -7.971 98 HG2 GLN 14 2HG GLN 14 -10.429 -10.820 -9.038 99 HG3 GLN 14 1HG GLN 14 -9.295 -12.162 -8.989 100 HE21 GLN 14 1HE2 GLN 14 -11.146 -9.921 -7.073 101 HE22 GLN 14 2HE2 GLN 14 -11.013 -10.782 -5.585 102 H PHE 15 H PHE 15 -8.208 -7.235 -9.141 103 HA PHE 15 HA PHE 15 -5.628 -6.591 -10.417 104 HD1 PHE 15 HD1 PHE 15 -5.987 -4.667 -12.545 105 HD2 PHE 15 HD2 PHE 15 -9.648 -5.529 -10.544 106 HE1 PHE 15 HE1 PHE 15 -7.136 -4.797 -14.715 107 HE2 PHE 15 HE2 PHE 15 -10.806 -5.660 -12.712 108 HZ PHE 15 HZ PHE 15 -9.551 -5.294 -14.801 109 HB2 PHE 15 2HB PHE 15 -7.756 -4.737 -9.317 110 HB3 PHE 15 1HB PHE 15 -6.281 -4.233 -10.135 111 H LYS 16 H LYS 16 -3.890 -5.856 -9.277 112 HA LYS 16 HA LYS 16 -4.132 -5.265 -6.421 113 HB2 LYS 16 2HB LYS 16 -2.162 -6.762 -5.931 114 HB3 LYS 16 1HB LYS 16 -3.649 -7.609 -6.340 115 HG2 LYS 16 2HG LYS 16 -2.839 -7.997 -8.603 116 HG3 LYS 16 1HG LYS 16 -1.367 -7.093 -8.246 117 HD2 LYS 16 2HD LYS 16 -0.695 -8.743 -6.610 118 HD3 LYS 16 1HD LYS 16 -2.221 -9.608 -6.800 119 HE2 LYS 16 2HE LYS 16 -0.435 -10.736 -8.018 120 HE3 LYS 16 1HE LYS 16 -1.643 -10.104 -9.135 121 HZ1 LYS 16 3HZ LYS 16 1.018 -8.935 -8.539 122 HZ2 LYS 16 1HZ LYS 16 -0.157 -8.177 -9.489 123 HZ3 LYS 16 2HZ LYS 16 0.515 -9.640 -9.992 124 H PHE 17 H PHE 17 -2.857 -3.562 -5.853 125 HA PHE 17 HA PHE 17 -0.714 -2.781 -7.732 126 HD1 PHE 17 HD1 PHE 17 -1.012 0.246 -4.837 127 HD2 PHE 17 HD2 PHE 17 -4.543 -1.532 -6.431 128 HE1 PHE 17 HE1 PHE 17 -2.288 1.033 -2.885 129 HE2 PHE 17 HE2 PHE 17 -5.820 -0.743 -4.483 130 HZ PHE 17 HZ PHE 17 -4.693 0.539 -2.708 131 HB2 PHE 17 2HB PHE 17 -1.140 -0.439 -7.179 132 HB3 PHE 17 1HB PHE 17 -2.585 -1.205 -7.820 133 H VAL 18 H VAL 18 1.168 -1.813 -6.920 134 HA VAL 18 HA VAL 18 1.628 -2.117 -4.015 135 HB VAL 18 HB VAL 18 3.956 -2.776 -4.475 136 HG11 VAL 18 1HG1 VAL 18 2.299 -4.522 -4.101 137 HG12 VAL 18 2HG1 VAL 18 3.505 -5.061 -5.271 138 HG13 VAL 18 3HG1 VAL 18 1.910 -4.547 -5.822 139 HG21 VAL 18 3HG2 VAL 18 4.636 -3.436 -6.754 140 HG22 VAL 18 1HG2 VAL 18 4.259 -1.715 -6.651 141 HG23 VAL 18 2HG2 VAL 18 3.102 -2.830 -7.378 142 H LEU 19 H LEU 19 2.885 -0.572 -3.007 143 HA LEU 19 HA LEU 19 3.452 1.859 -4.576 144 HG LEU 19 HG LEU 19 4.651 3.279 -1.862 145 HB2 LEU 19 2HB LEU 19 1.940 2.238 -2.734 146 HB3 LEU 19 1HB LEU 19 3.034 1.451 -1.612 147 HD11 LEU 19 1HD1 LEU 19 4.062 5.311 -3.105 148 HD12 LEU 19 2HD1 LEU 19 2.615 4.511 -3.721 149 HD13 LEU 19 3HD1 LEU 19 4.214 3.910 -4.165 150 HD21 LEU 19 3HD2 LEU 19 2.950 3.449 -0.120 151 HD22 LEU 19 1HD2 LEU 19 1.863 4.266 -1.246 152 HD23 LEU 19 2HD2 LEU 19 3.369 5.040 -0.752 153 H LYS 20 H LYS 20 5.500 2.325 -5.057 154 HA LYS 20 HA LYS 20 7.644 1.247 -3.326 155 HB2 LYS 20 2HB LYS 20 7.668 1.522 -6.341 156 HB3 LYS 20 1HB LYS 20 9.056 1.058 -5.362 157 HG2 LYS 20 2HG LYS 20 7.784 -0.913 -4.565 158 HG3 LYS 20 1HG LYS 20 6.470 -0.474 -5.655 159 HD2 LYS 20 2HD LYS 20 9.301 -1.088 -6.518 160 HD3 LYS 20 1HD LYS 20 7.966 -2.239 -6.561 161 HE2 LYS 20 2HE LYS 20 6.758 -0.714 -8.092 162 HE3 LYS 20 1HE LYS 20 8.161 0.353 -8.089 163 HZ1 LYS 20 3HZ LYS 20 8.121 -2.458 -9.032 164 HZ2 LYS 20 1HZ LYS 20 9.477 -1.453 -9.013 165 HZ3 LYS 20 2HZ LYS 20 8.168 -1.086 -10.015 166 H ALA 21 H ALA 21 9.354 2.560 -2.840 167 HA ALA 21 HA ALA 21 8.929 5.385 -3.031 168 HB1 ALA 21 3HB ALA 21 11.349 3.888 -2.017 169 HB2 ALA 21 1HB ALA 21 9.940 4.333 -1.052 170 HB3 ALA 21 2HB ALA 21 10.975 5.589 -1.733 171 H GLY 22 H GLY 22 11.038 6.761 -3.567 172 HA2 GLY 22 2HA GLY 22 11.333 6.766 -6.344 173 HA3 GLY 22 1HA GLY 22 12.365 7.635 -5.227 174 H ASN 23 H ASN 23 13.063 4.853 -4.055 175 HA ASN 23 HA ASN 23 15.315 4.373 -5.844 176 HB2 ASN 23 2HB ASN 23 16.176 2.966 -4.015 177 HB3 ASN 23 1HB ASN 23 15.747 4.576 -3.445 178 HD21 ASN 23 1HD2 ASN 23 16.002 2.208 -1.866 179 HD22 ASN 23 2HD2 ASN 23 14.461 1.919 -1.144 180 H GLY 24 H GLY 24 12.223 3.197 -5.654 181 HA2 GLY 24 2HA GLY 24 11.311 1.502 -6.992 182 HA3 GLY 24 1HA GLY 24 12.918 0.839 -7.221 183 H GLU 25 H GLU 25 12.392 1.406 -3.961 184 HA GLU 25 HA GLU 25 12.163 -1.439 -3.434 185 HB2 GLU 25 2HB GLU 25 13.802 -0.160 -2.193 186 HB3 GLU 25 1HB GLU 25 12.562 0.940 -1.610 187 HG2 GLU 25 2HG GLU 25 11.604 -0.741 -0.225 188 HG3 GLU 25 1HG GLU 25 12.589 -2.000 -0.965 189 H VAL 26 H VAL 26 10.432 -2.500 -2.638 190 HA VAL 26 HA VAL 26 7.871 -1.174 -2.715 191 HB VAL 26 HB VAL 26 8.496 -4.048 -1.975 192 HG11 VAL 26 1HG1 VAL 26 6.297 -3.351 -1.188 193 HG12 VAL 26 2HG1 VAL 26 6.135 -4.471 -2.540 194 HG13 VAL 26 3HG1 VAL 26 5.892 -2.743 -2.795 195 HG21 VAL 26 3HG2 VAL 26 9.284 -3.493 -4.236 196 HG22 VAL 26 1HG2 VAL 26 7.676 -2.899 -4.651 197 HG23 VAL 26 2HG2 VAL 26 7.918 -4.607 -4.282 198 H ILE 27 H ILE 27 6.865 -0.256 -1.046 199 HA ILE 27 HA ILE 27 7.591 -1.100 1.692 200 HB ILE 27 HB ILE 27 6.610 1.086 2.435 201 HG12 ILE 27 2HG1 ILE 27 6.633 1.704 -0.538 202 HG13 ILE 27 1HG1 ILE 27 5.197 1.545 0.466 203 HG21 ILE 27 1HG2 ILE 27 9.011 0.785 2.230 204 HG22 ILE 27 2HG2 ILE 27 8.559 2.422 1.753 205 HG23 ILE 27 3HG2 ILE 27 8.944 1.219 0.520 206 HD11 ILE 27 3HD1 ILE 27 5.723 3.871 0.040 207 HD12 ILE 27 1HD1 ILE 27 7.324 3.659 0.747 208 HD13 ILE 27 2HD1 ILE 27 5.885 3.504 1.759 209 H LEU 28 H LEU 28 4.825 -0.479 -0.443 210 HA LEU 28 HA LEU 28 3.093 -1.894 1.495 211 HG LEU 28 HG LEU 28 1.298 1.344 1.863 212 HB2 LEU 28 2HB LEU 28 2.525 0.577 -0.115 213 HB3 LEU 28 1HB LEU 28 1.208 -0.504 0.290 214 HD11 LEU 28 1HD1 LEU 28 0.549 -0.824 2.706 215 HD12 LEU 28 2HD1 LEU 28 1.364 0.109 3.961 216 HD13 LEU 28 3HD1 LEU 28 2.205 -1.222 3.167 217 HD21 LEU 28 3HD2 LEU 28 4.073 0.405 2.567 218 HD22 LEU 28 1HD2 LEU 28 3.173 1.702 3.350 219 HD23 LEU 28 2HD2 LEU 28 3.679 1.872 1.670 220 H THR 29 H THR 29 1.801 -3.489 0.729 221 HA THR 29 HA THR 29 1.472 -3.826 -2.184 222 HB THR 29 HB THR 29 2.219 -6.050 -0.254 223 HG1 THR 29 HG1 THR 29 3.767 -4.432 -1.564 224 HG21 THR 29 3HG2 THR 29 0.564 -6.839 -1.880 225 HG22 THR 29 1HG2 THR 29 2.149 -7.533 -2.223 226 HG23 THR 29 2HG2 THR 29 1.539 -6.199 -3.202 227 H SER 30 H SER 30 -0.672 -3.740 -2.588 228 HA SER 30 HA SER 30 -2.573 -4.254 -0.445 229 HG SER 30 HG SER 30 -4.987 -2.469 -1.855 230 HB2 SER 30 2HB SER 30 -2.865 -2.290 -1.926 231 HB3 SER 30 1HB SER 30 -3.111 -3.373 -3.297 232 H GLU 31 H GLU 31 -4.772 -5.276 -1.424 233 HA GLU 31 HA GLU 31 -3.986 -8.040 -2.052 234 HB2 GLU 31 2HB GLU 31 -6.174 -8.678 -1.147 235 HB3 GLU 31 1HB GLU 31 -5.252 -7.728 0.010 236 HG2 GLU 31 2HG GLU 31 -6.589 -5.775 -0.451 237 HG3 GLU 31 1HG GLU 31 -7.433 -6.617 -1.750 238 H LEU 32 H LEU 32 -6.313 -9.113 -2.975 239 HA LEU 32 HA LEU 32 -6.313 -8.171 -5.721 240 HG LEU 32 HG LEU 32 -5.192 -10.803 -4.494 241 HB2 LEU 32 2HB LEU 32 -7.643 -10.555 -4.422 242 HB3 LEU 32 1HB LEU 32 -7.660 -10.219 -6.145 243 HD11 LEU 32 1HD1 LEU 32 -5.109 -12.900 -5.752 244 HD12 LEU 32 2HD1 LEU 32 -6.634 -12.492 -6.537 245 HD13 LEU 32 3HD1 LEU 32 -6.587 -12.778 -4.797 246 HD21 LEU 32 3HD2 LEU 32 -4.030 -10.876 -6.662 247 HD22 LEU 32 1HD2 LEU 32 -4.687 -9.277 -6.315 248 HD23 LEU 32 2HD2 LEU 32 -5.507 -10.336 -7.463 249 H TYR 33 H TYR 33 -7.600 -6.460 -6.112 250 HA TYR 33 HA TYR 33 -10.259 -6.193 -4.997 251 HD1 TYR 33 HD2 TYR 33 -6.793 -4.493 -5.697 252 HD2 TYR 33 HD1 TYR 33 -10.577 -3.049 -4.382 253 HE1 TYR 33 HE2 TYR 33 -5.681 -3.206 -3.928 254 HE2 TYR 33 HE1 TYR 33 -9.468 -1.755 -2.609 255 HH TYR 33 HH TYR 33 -7.334 -1.810 -1.337 256 HB2 TYR 33 2HB TYR 33 -8.827 -4.600 -7.144 257 HB3 TYR 33 1HB TYR 33 -10.398 -4.185 -6.468 258 H THR 34 H THR 34 -12.191 -5.994 -6.335 259 HA THR 34 HA THR 34 -12.340 -8.047 -8.388 260 HB THR 34 HB THR 34 -14.767 -7.595 -8.376 261 HG1 THR 34 HG1 THR 34 -15.573 -5.841 -7.449 262 HG21 THR 34 3HG2 THR 34 -13.876 -9.141 -6.703 263 HG22 THR 34 1HG2 THR 34 -15.225 -8.220 -6.036 264 HG23 THR 34 2HG2 THR 34 -13.568 -7.795 -5.604 265 H GLY 35 H GLY 35 -13.149 -4.569 -8.209 266 HA2 GLY 35 2HA GLY 35 -13.188 -4.468 -11.161 267 HA3 GLY 35 1HA GLY 35 -13.958 -3.311 -10.089 268 H LYS 36 H LYS 36 -12.088 -2.903 -12.335 269 HA LYS 36 HA LYS 36 -9.535 -2.115 -11.460 270 HB2 LYS 36 2HB LYS 36 -10.116 -2.359 -13.826 271 HB3 LYS 36 1HB LYS 36 -11.244 -1.017 -13.709 272 HG2 LYS 36 2HG LYS 36 -9.390 0.516 -13.267 273 HG3 LYS 36 1HG LYS 36 -8.249 -0.830 -13.366 274 HD2 LYS 36 2HD LYS 36 -8.937 -1.230 -15.692 275 HD3 LYS 36 1HD LYS 36 -10.067 0.119 -15.588 276 HE2 LYS 36 2HE LYS 36 -8.233 1.672 -15.268 277 HE3 LYS 36 1HE LYS 36 -7.075 0.341 -15.242 278 HZ1 LYS 36 3HZ LYS 36 -7.056 1.329 -17.396 279 HZ2 LYS 36 1HZ LYS 36 -8.737 1.208 -17.543 280 HZ3 LYS 36 2HZ LYS 36 -7.788 -0.192 -17.536 281 H SER 37 H SER 37 -12.583 -0.307 -11.675 282 HA SER 37 HA SER 37 -11.710 2.192 -10.793 283 HG SER 37 HG SER 37 -14.522 3.505 -10.566 284 HB2 SER 37 2HB SER 37 -13.978 1.811 -11.660 285 HB3 SER 37 1HB SER 37 -14.377 0.865 -10.228 286 H GLY 38 H GLY 38 -12.710 -0.638 -8.888 287 HA2 GLY 38 2HA GLY 38 -12.533 0.531 -6.327 288 HA3 GLY 38 1HA GLY 38 -12.378 -1.182 -6.680 289 H ALA 39 H ALA 39 -10.088 -1.212 -8.238 290 HA ALA 39 HA ALA 39 -8.009 -1.131 -6.352 291 HB1 ALA 39 3HB ALA 39 -7.972 -2.548 -8.358 292 HB2 ALA 39 1HB ALA 39 -6.510 -1.572 -8.222 293 HB3 ALA 39 2HB ALA 39 -7.771 -1.114 -9.366 294 H MET 40 H MET 40 -8.726 1.132 -9.032 295 HA MET 40 HA MET 40 -6.675 2.972 -8.466 296 HB2 MET 40 2HB MET 40 -9.382 3.450 -9.739 297 HB3 MET 40 1HB MET 40 -8.068 4.619 -9.723 298 HG2 MET 40 2HG MET 40 -6.663 2.955 -10.943 299 HG3 MET 40 1HG MET 40 -8.090 1.931 -11.084 300 HE1 MET 40 3HE MET 40 -10.455 4.175 -13.282 301 HE2 MET 40 1HE MET 40 -10.392 4.116 -11.520 302 HE3 MET 40 2HE MET 40 -10.279 2.628 -12.458 303 H ASN 41 H ASN 41 -10.059 2.876 -7.357 304 HA ASN 41 HA ASN 41 -10.188 5.164 -5.814 305 HB2 ASN 41 2HB ASN 41 -12.021 3.454 -6.295 306 HB3 ASN 41 1HB ASN 41 -11.364 2.501 -4.973 307 HD21 ASN 41 1HD2 ASN 41 -13.978 3.718 -5.283 308 HD22 ASN 41 2HD2 ASN 41 -14.191 4.762 -3.926 309 H GLY 42 H GLY 42 -8.950 1.959 -4.883 310 HA2 GLY 42 2HA GLY 42 -8.144 2.550 -2.265 311 HA3 GLY 42 1HA GLY 42 -7.406 1.338 -3.299 312 H ILE 43 H ILE 43 -6.372 2.981 -5.334 313 HA ILE 43 HA ILE 43 -3.914 3.796 -4.174 314 HB ILE 43 HB ILE 43 -5.046 4.491 -6.900 315 HG12 ILE 43 2HG1 ILE 43 -3.173 2.260 -6.042 316 HG13 ILE 43 1HG1 ILE 43 -4.854 2.059 -6.524 317 HG21 ILE 43 1HG2 ILE 43 -3.258 6.017 -6.289 318 HG22 ILE 43 2HG2 ILE 43 -2.697 4.903 -7.535 319 HG23 ILE 43 3HG2 ILE 43 -2.215 4.661 -5.856 320 HD11 ILE 43 3HD1 ILE 43 -3.375 1.423 -8.319 321 HD12 ILE 43 1HD1 ILE 43 -2.596 3.004 -8.277 322 HD13 ILE 43 2HD1 ILE 43 -4.283 2.864 -8.774 323 H GLU 44 H GLU 44 -6.602 5.706 -5.522 324 HA GLU 44 HA GLU 44 -5.648 8.271 -4.984 325 HB2 GLU 44 2HB GLU 44 -8.525 7.340 -4.835 326 HB3 GLU 44 1HB GLU 44 -7.980 8.992 -5.080 327 HG2 GLU 44 2HG GLU 44 -7.010 8.360 -7.232 328 HG3 GLU 44 1HG GLU 44 -7.547 6.698 -6.987 329 H SER 45 H SER 45 -7.461 6.037 -2.931 330 HA SER 45 HA SER 45 -7.778 7.725 -0.697 331 HG SER 45 HG SER 45 -9.452 5.148 -1.832 332 HB2 SER 45 2HB SER 45 -7.624 4.699 -0.826 333 HB3 SER 45 1HB SER 45 -8.147 5.618 0.587 334 H VAL 46 H VAL 46 -5.145 5.466 -1.557 335 HA VAL 46 HA VAL 46 -3.605 5.756 0.777 336 HB VAL 46 HB VAL 46 -2.617 5.340 -2.062 337 HG11 VAL 46 1HG1 VAL 46 -1.196 4.824 0.556 338 HG12 VAL 46 2HG1 VAL 46 -0.827 6.124 -0.577 339 HG13 VAL 46 3HG1 VAL 46 -0.580 4.444 -1.052 340 HG21 VAL 46 3HG2 VAL 46 -3.257 3.338 0.115 341 HG22 VAL 46 1HG2 VAL 46 -2.517 2.954 -1.442 342 HG23 VAL 46 2HG2 VAL 46 -4.159 3.587 -1.379 343 H GLN 47 H GLN 47 -3.509 7.616 -2.256 344 HA GLN 47 HA GLN 47 -1.552 9.492 -1.595 345 HB2 GLN 47 2HB GLN 47 -4.033 9.858 -3.302 346 HB3 GLN 47 1HB GLN 47 -2.647 10.941 -3.298 347 HG2 GLN 47 2HG GLN 47 -1.231 9.244 -4.220 348 HG3 GLN 47 1HG GLN 47 -2.488 8.022 -4.030 349 HE21 GLN 47 1HE2 GLN 47 -1.059 8.932 -6.436 350 HE22 GLN 47 2HE2 GLN 47 -2.291 9.423 -7.540 351 H THR 48 H THR 48 -4.998 9.454 -0.832 352 HA THR 48 HA THR 48 -5.054 12.081 0.329 353 HB THR 48 HB THR 48 -7.051 9.815 0.627 354 HG1 THR 48 HG1 THR 48 -7.852 10.460 -1.248 355 HG21 THR 48 3HG2 THR 48 -7.325 11.519 2.373 356 HG22 THR 48 1HG2 THR 48 -8.655 11.586 1.218 357 HG23 THR 48 2HG2 THR 48 -7.363 12.784 1.145 358 H ASN 49 H ASN 49 -4.661 8.807 1.593 359 HA ASN 49 HA ASN 49 -4.832 9.558 4.364 360 HB2 ASN 49 2HB ASN 49 -3.861 7.021 3.034 361 HB3 ASN 49 1HB ASN 49 -3.995 7.229 4.778 362 HD21 ASN 49 1HD2 ASN 49 -5.340 5.345 3.067 363 HD22 ASN 49 2HD2 ASN 49 -7.027 5.610 3.282 364 H SER 50 H SER 50 -2.258 9.325 2.033 365 HA SER 50 HA SER 50 -0.002 8.840 3.477 366 HG SER 50 HG SER 50 2.040 9.434 1.686 367 HB2 SER 50 2HB SER 50 0.011 9.198 1.056 368 HB3 SER 50 1HB SER 50 -0.288 10.918 1.290 369 HA PRO 51 HA PRO 51 0.387 13.294 5.201 370 HB2 PRO 51 2HB PRO 51 -1.522 15.138 4.812 371 HB3 PRO 51 1HB PRO 51 -0.298 14.805 3.578 372 HG2 PRO 51 2HG PRO 51 -3.131 13.820 3.747 373 HG3 PRO 51 1HG PRO 51 -2.257 14.472 2.346 374 HD2 PRO 51 2HD PRO 51 -2.585 11.789 2.814 375 HD3 PRO 51 1HD PRO 51 -1.219 12.467 1.908 376 H ILE 52 H ILE 52 -2.545 11.503 5.372 377 HA ILE 52 HA ILE 52 -3.359 12.663 7.942 378 HB ILE 52 HB ILE 52 -4.728 10.494 6.322 379 HG12 ILE 52 2HG1 ILE 52 -5.340 13.462 6.529 380 HG13 ILE 52 1HG1 ILE 52 -4.696 12.639 5.112 381 HG21 ILE 52 1HG2 ILE 52 -5.728 12.117 8.668 382 HG22 ILE 52 2HG2 ILE 52 -5.255 10.420 8.719 383 HG23 ILE 52 3HG2 ILE 52 -6.654 10.915 7.768 384 HD11 ILE 52 3HD1 ILE 52 -6.771 11.340 4.945 385 HD12 ILE 52 1HD1 ILE 52 -7.055 13.077 4.845 386 HD13 ILE 52 2HD1 ILE 52 -7.413 12.211 6.339 387 H GLU 53 H GLU 53 -1.752 11.916 9.318 388 HA GLU 53 HA GLU 53 -0.579 9.410 9.400 389 HB2 GLU 53 2HB GLU 53 0.320 11.308 10.611 390 HB3 GLU 53 1HB GLU 53 -1.094 11.358 11.655 391 HG2 GLU 53 2HG GLU 53 -0.477 9.112 12.517 392 HG3 GLU 53 1HG GLU 53 0.997 9.189 11.551 393 H ALA 54 H ALA 54 -3.504 10.511 11.076 394 HA ALA 54 HA ALA 54 -3.831 8.430 12.882 395 HB1 ALA 54 3HB ALA 54 -6.170 9.130 13.024 396 HB2 ALA 54 1HB ALA 54 -5.971 10.076 11.548 397 HB3 ALA 54 2HB ALA 54 -5.070 10.509 13.001 398 H ARG 55 H ARG 55 -4.150 8.182 9.488 399 HA ARG 55 HA ARG 55 -6.097 6.034 9.508 400 HE ARG 55 HE ARG 55 -9.196 8.466 8.433 401 HB2 ARG 55 2HB ARG 55 -4.354 7.197 7.324 402 HB3 ARG 55 1HB ARG 55 -5.479 5.870 7.056 403 HG2 ARG 55 2HG ARG 55 -6.285 8.581 8.114 404 HG3 ARG 55 1HG ARG 55 -6.348 8.120 6.411 405 HD2 ARG 55 2HD ARG 55 -7.944 6.374 6.889 406 HD3 ARG 55 1HD ARG 55 -7.794 6.655 8.621 407 HH11 ARG 55 1HH1 ARG 55 -8.214 7.528 5.261 408 HH12 ARG 55 2HH1 ARG 55 -9.458 8.445 4.494 409 HH21 ARG 55 1HH2 ARG 55 -10.775 9.634 7.435 410 HH22 ARG 55 2HH2 ARG 55 -10.891 9.626 5.711 411 H TYR 56 H TYR 56 -3.028 6.092 10.548 412 HA TYR 56 HA TYR 56 -1.734 3.949 9.238 413 HD1 TYR 56 HD2 TYR 56 -2.417 6.701 12.274 414 HD2 TYR 56 HD1 TYR 56 -0.178 3.190 13.172 415 HE1 TYR 56 HE2 TYR 56 -2.949 6.978 14.652 416 HE2 TYR 56 HE1 TYR 56 -0.713 3.462 15.557 417 HH TYR 56 HH TYR 56 -3.063 5.752 16.667 418 HB2 TYR 56 2HB TYR 56 -0.101 4.072 10.981 419 HB3 TYR 56 1HB TYR 56 -0.639 5.717 10.668 420 H ALA 57 H ALA 57 -0.893 2.031 10.622 421 HA ALA 57 HA ALA 57 -2.614 0.993 12.683 422 HB1 ALA 57 3HB ALA 57 -2.446 -0.500 10.053 423 HB2 ALA 57 1HB ALA 57 -3.881 0.302 10.702 424 HB3 ALA 57 2HB ALA 57 -3.198 -1.098 11.535 425 H LYS 58 H LYS 58 -0.916 0.708 14.063 426 HA LYS 58 HA LYS 58 1.600 -0.439 13.192 427 HB2 LYS 58 2HB LYS 58 0.626 0.335 15.955 428 HB3 LYS 58 1HB LYS 58 2.261 -0.181 15.576 429 HG2 LYS 58 2HG LYS 58 0.922 2.280 14.453 430 HG3 LYS 58 1HG LYS 58 2.044 2.261 15.815 431 HD2 LYS 58 2HD LYS 58 3.781 1.306 14.313 432 HD3 LYS 58 1HD LYS 58 2.654 1.457 12.963 433 HE2 LYS 58 2HE LYS 58 4.180 3.339 12.970 434 HE3 LYS 58 1HE LYS 58 2.553 3.895 13.354 435 HZ1 LYS 58 3HZ LYS 58 4.693 3.368 15.340 436 HZ2 LYS 58 1HZ LYS 58 3.149 3.963 15.679 437 HZ3 LYS 58 2HZ LYS 58 4.240 4.895 14.785 438 H GLU 59 H GLU 59 1.744 -2.608 12.887 439 HA GLU 59 HA GLU 59 0.509 -4.362 14.914 440 HB2 GLU 59 2HB GLU 59 0.448 -4.745 11.918 441 HB3 GLU 59 1HB GLU 59 -0.008 -5.985 13.079 442 HG2 GLU 59 2HG GLU 59 -1.761 -4.432 13.942 443 HG3 GLU 59 1HG GLU 59 -1.359 -3.332 12.622 444 H VAL 60 H VAL 60 1.557 -6.234 15.437 445 HA VAL 60 HA VAL 60 4.044 -6.915 13.999 446 HB VAL 60 HB VAL 60 3.615 -7.184 16.992 447 HG11 VAL 60 1HG1 VAL 60 6.018 -7.828 15.268 448 HG12 VAL 60 2HG1 VAL 60 4.992 -8.987 16.113 449 HG13 VAL 60 3HG1 VAL 60 5.993 -7.863 17.031 450 HG21 VAL 60 3HG2 VAL 60 5.369 -5.477 17.212 451 HG22 VAL 60 1HG2 VAL 60 3.966 -4.849 16.345 452 HG23 VAL 60 2HG2 VAL 60 5.422 -5.301 15.457 453 H ALA 61 H ALA 61 3.887 -8.874 13.096 454 HA ALA 61 HA ALA 61 1.548 -10.454 13.440 455 HB1 ALA 61 3HB ALA 61 4.091 -11.111 11.957 456 HB2 ALA 61 1HB ALA 61 2.706 -10.239 11.298 457 HB3 ALA 61 2HB ALA 61 2.539 -11.928 11.777 458 H LYS 62 H LYS 62 1.523 -12.799 13.861 459 HA LYS 62 HA LYS 62 2.541 -13.649 16.288 460 HB2 LYS 62 2HB LYS 62 1.799 -15.268 13.843 461 HB3 LYS 62 1HB LYS 62 2.176 -15.995 15.399 462 HG2 LYS 62 2HG LYS 62 -0.052 -14.015 14.941 463 HG3 LYS 62 1HG LYS 62 -0.248 -15.769 14.952 464 HD2 LYS 62 2HD LYS 62 0.716 -15.762 17.281 465 HD3 LYS 62 1HD LYS 62 0.618 -13.999 17.243 466 HE2 LYS 62 2HE LYS 62 -1.317 -15.005 18.376 467 HE3 LYS 62 1HE LYS 62 -1.794 -14.119 16.926 468 HZ1 LYS 62 3HZ LYS 62 -2.920 -16.268 17.116 469 HZ2 LYS 62 1HZ LYS 62 -1.430 -17.067 17.088 470 HZ3 LYS 62 2HZ LYS 62 -1.953 -16.200 15.730 471 H ASN 63 H ASN 63 4.074 -13.683 13.145 472 HA ASN 63 HA ASN 63 6.258 -15.395 13.750 473 HB2 ASN 63 2HB ASN 63 6.275 -13.162 11.708 474 HB3 ASN 63 1HB ASN 63 7.212 -14.651 11.685 475 HD21 ASN 63 1HD2 ASN 63 6.473 -15.262 9.685 476 HD22 ASN 63 2HD2 ASN 63 4.853 -15.758 9.388 477 H ASP 64 H ASP 64 5.570 -12.559 15.207 478 HA ASP 64 HA ASP 64 6.680 -10.989 16.396 479 HB2 ASP 64 2HB ASP 64 9.048 -12.830 15.966 480 HB3 ASP 64 1HB ASP 64 9.051 -11.438 17.049 481 H LYS 65 H LYS 65 6.560 -10.988 13.412 482 HA LYS 65 HA LYS 65 8.805 -9.209 12.764 483 HB2 LYS 65 2HB LYS 65 6.738 -10.475 10.945 484 HB3 LYS 65 1HB LYS 65 8.124 -9.522 10.423 485 HG2 LYS 65 2HG LYS 65 9.638 -11.200 11.342 486 HG3 LYS 65 1HG LYS 65 8.260 -12.148 11.901 487 HD2 LYS 65 2HD LYS 65 7.524 -12.470 9.597 488 HD3 LYS 65 1HD LYS 65 8.856 -11.474 9.014 489 HE2 LYS 65 2HE LYS 65 9.047 -14.137 10.419 490 HE3 LYS 65 1HE LYS 65 9.432 -13.796 8.733 491 HZ1 LYS 65 3HZ LYS 65 11.211 -12.301 9.545 492 HZ2 LYS 65 1HZ LYS 65 11.448 -13.918 9.987 493 HZ3 LYS 65 2HZ LYS 65 10.886 -12.803 11.127 494 HA PRO 66 HA PRO 66 5.860 -5.852 13.282 495 HB2 PRO 66 2HB PRO 66 7.570 -3.804 12.901 496 HB3 PRO 66 1HB PRO 66 7.605 -4.784 14.371 497 HG2 PRO 66 2HG PRO 66 9.356 -4.954 11.943 498 HG3 PRO 66 1HG PRO 66 9.813 -5.023 13.656 499 HD2 PRO 66 2HD PRO 66 9.524 -7.244 12.082 500 HD3 PRO 66 1HD PRO 66 9.260 -7.253 13.838 501 H TYR 67 H TYR 67 4.553 -4.764 11.912 502 HA TYR 67 HA TYR 67 5.479 -3.742 9.372 503 HD1 TYR 67 HD2 TYR 67 3.815 -6.960 11.131 504 HD2 TYR 67 HD1 TYR 67 1.621 -5.302 7.875 505 HE1 TYR 67 HE2 TYR 67 1.778 -8.083 11.931 506 HE2 TYR 67 HE1 TYR 67 -0.419 -6.412 8.676 507 HH TYR 67 HH TYR 67 -0.872 -7.513 11.629 508 HB2 TYR 67 2HB TYR 67 3.904 -4.938 7.969 509 HB3 TYR 67 1HB TYR 67 4.895 -6.106 8.834 510 H PHE 68 H PHE 68 3.330 -2.834 8.168 511 HA PHE 68 HA PHE 68 1.421 -1.809 10.120 512 HD1 PHE 68 HD2 PHE 68 5.153 -0.712 8.670 513 HD2 PHE 68 HD1 PHE 68 1.701 1.350 7.253 514 HE1 PHE 68 HE2 PHE 68 6.403 0.018 6.680 515 HE2 PHE 68 HE1 PHE 68 2.953 2.079 5.268 516 HZ PHE 68 HZ PHE 68 5.304 1.416 4.980 517 HB2 PHE 68 2HB PHE 68 1.775 0.534 9.496 518 HB3 PHE 68 1HB PHE 68 3.242 -0.160 10.170 519 H ASN 69 H ASN 69 -0.522 -1.111 9.256 520 HA ASN 69 HA ASN 69 -0.907 -1.616 6.369 521 HB2 ASN 69 2HB ASN 69 -2.656 -2.329 8.722 522 HB3 ASN 69 1HB ASN 69 -3.300 -2.236 7.084 523 HD21 ASN 69 1HD2 ASN 69 -3.792 -4.479 7.263 524 HD22 ASN 69 2HD2 ASN 69 -2.559 -5.665 7.046 525 H LEU 70 H LEU 70 -2.437 -0.330 5.257 526 HA LEU 70 HA LEU 70 -2.993 2.255 6.565 527 HG LEU 70 HG LEU 70 -3.974 3.734 4.031 528 HB2 LEU 70 2HB LEU 70 -1.375 2.319 4.676 529 HB3 LEU 70 1HB LEU 70 -2.631 1.700 3.618 530 HD11 LEU 70 1HD1 LEU 70 -1.575 4.646 5.623 531 HD12 LEU 70 2HD1 LEU 70 -3.187 4.308 6.257 532 HD13 LEU 70 3HD1 LEU 70 -2.938 5.661 5.154 533 HD21 LEU 70 3HD2 LEU 70 -2.580 5.277 2.751 534 HD22 LEU 70 1HD2 LEU 70 -2.474 3.637 2.111 535 HD23 LEU 70 2HD2 LEU 70 -1.160 4.287 3.092 536 H LYS 71 H LYS 71 -5.033 3.047 6.585 537 HA LYS 71 HA LYS 71 -7.146 1.360 5.389 538 HB2 LYS 71 2HB LYS 71 -6.922 2.593 8.120 539 HB3 LYS 71 1HB LYS 71 -8.501 2.201 7.441 540 HG2 LYS 71 2HG LYS 71 -7.925 -0.118 7.278 541 HG3 LYS 71 1HG LYS 71 -6.257 0.212 7.745 542 HD2 LYS 71 2HD LYS 71 -8.550 0.910 9.565 543 HD3 LYS 71 1HD LYS 71 -7.887 -0.723 9.524 544 HE2 LYS 71 2HE LYS 71 -6.842 0.512 11.316 545 HE3 LYS 71 1HE LYS 71 -5.651 0.205 10.054 546 HZ1 LYS 71 3HZ LYS 71 -7.128 2.760 10.415 547 HZ2 LYS 71 1HZ LYS 71 -5.911 2.461 9.281 548 HZ3 LYS 71 2HZ LYS 71 -5.540 2.478 10.930 549 H ALA 72 H ALA 72 -8.874 2.312 4.426 550 HA ALA 72 HA ALA 72 -8.759 5.171 3.875 551 HB1 ALA 72 3HB ALA 72 -9.250 3.584 2.063 552 HB2 ALA 72 1HB ALA 72 -10.557 4.745 2.290 553 HB3 ALA 72 2HB ALA 72 -10.725 3.097 2.896 554 H ALA 73 H ALA 73 -11.128 6.212 3.765 555 HA ALA 73 HA ALA 73 -11.882 6.863 6.333 556 HB1 ALA 73 3HB ALA 73 -13.672 6.943 3.905 557 HB2 ALA 73 1HB ALA 73 -12.463 8.157 4.322 558 HB3 ALA 73 2HB ALA 73 -13.853 7.897 5.376 559 H ASN 74 H ASN 74 -13.290 4.296 4.305 560 HA ASN 74 HA ASN 74 -15.324 3.678 6.276 561 HB2 ASN 74 2HB ASN 74 -15.484 3.437 3.692 562 HB3 ASN 74 1HB ASN 74 -14.646 1.907 3.936 563 HD21 ASN 74 1HD2 ASN 74 -16.346 0.624 3.322 564 HD22 ASN 74 2HD2 ASN 74 -17.807 0.488 4.232 565 H HIS 75 H HIS 75 -12.236 3.249 6.627 566 HA HIS 75 HA HIS 75 -11.017 2.049 8.136 567 HD1 HIS 75 HD1 HIS 75 -14.944 2.689 9.123 568 HD2 HIS 75 HD2 HIS 75 -11.476 2.310 11.380 569 HE1 HIS 75 HE1 HIS 75 -15.126 4.416 10.929 570 HE2 HIS 75 HE2 HIS 75 -13.112 4.050 12.380 571 HB2 HIS 75 2HB HIS 75 -13.605 0.559 8.617 572 HB3 HIS 75 1HB HIS 75 -12.127 0.288 9.532 573 H GLN 76 H GLN 76 -11.865 1.045 5.274 574 HA GLN 76 HA GLN 76 -11.281 -1.757 5.328 575 HB2 GLN 76 2HB GLN 76 -11.387 -1.609 2.902 576 HB3 GLN 76 1HB GLN 76 -12.719 -0.702 3.609 577 HG2 GLN 76 2HG GLN 76 -11.107 1.330 3.380 578 HG3 GLN 76 1HG GLN 76 -10.269 0.303 2.218 579 HE21 GLN 76 1HE2 GLN 76 -13.129 2.093 2.909 580 HE22 GLN 76 2HE2 GLN 76 -13.794 2.050 1.319 581 H ILE 77 H ILE 77 -9.379 -2.808 4.925 582 HA ILE 77 HA ILE 77 -6.910 -1.342 5.062 583 HB ILE 77 HB ILE 77 -7.468 -4.289 4.653 584 HG12 ILE 77 2HG1 ILE 77 -7.993 -3.241 6.901 585 HG13 ILE 77 1HG1 ILE 77 -6.824 -4.556 6.954 586 HG21 ILE 77 1HG2 ILE 77 -5.359 -3.768 3.575 587 HG22 ILE 77 2HG2 ILE 77 -5.056 -4.655 5.068 588 HG23 ILE 77 3HG2 ILE 77 -4.800 -2.910 5.010 589 HD11 ILE 77 3HD1 ILE 77 -6.221 -2.682 8.402 590 HD12 ILE 77 1HD1 ILE 77 -6.145 -1.627 6.992 591 HD13 ILE 77 2HD1 ILE 77 -5.013 -2.972 7.151 592 H ILE 78 H ILE 78 -6.611 -0.088 3.257 593 HA ILE 78 HA ILE 78 -6.878 -1.256 0.593 594 HB ILE 78 HB ILE 78 -6.293 0.990 -0.248 595 HG12 ILE 78 2HG1 ILE 78 -6.164 1.744 2.688 596 HG13 ILE 78 1HG1 ILE 78 -4.797 1.684 1.580 597 HG21 ILE 78 1HG2 ILE 78 -8.330 2.126 0.488 598 HG22 ILE 78 2HG2 ILE 78 -8.475 1.005 1.840 599 HG23 ILE 78 3HG2 ILE 78 -8.628 0.415 0.186 600 HD11 ILE 78 3HD1 ILE 78 -5.497 3.954 1.911 601 HD12 ILE 78 1HD1 ILE 78 -7.144 3.558 1.422 602 HD13 ILE 78 2HD1 ILE 78 -5.829 3.470 0.249 603 H GLY 79 H GLY 79 -4.425 -0.689 2.927 604 HA2 GLY 79 2HA GLY 79 -2.425 -1.690 1.005 605 HA3 GLY 79 1HA GLY 79 -2.065 -0.239 1.929 606 H THR 80 H THR 80 -1.030 -3.153 1.815 607 HA THR 80 HA THR 80 -0.724 -3.363 4.746 608 HB THR 80 HB THR 80 -1.063 -5.676 2.814 609 HG1 THR 80 HG1 THR 80 -2.662 -4.475 4.796 610 HG21 THR 80 3HG2 THR 80 0.668 -6.229 4.452 611 HG22 THR 80 1HG2 THR 80 -0.806 -7.137 4.792 612 HG23 THR 80 2HG2 THR 80 -0.393 -5.726 5.768 613 H SER 81 H SER 81 1.349 -3.272 5.376 614 HA SER 81 HA SER 81 3.437 -3.204 3.377 615 HG SER 81 HG SER 81 5.636 -1.797 5.229 616 HB2 SER 81 2HB SER 81 3.544 -1.622 5.216 617 HB3 SER 81 1HB SER 81 3.580 -2.939 6.389 618 H GLN 82 H GLN 82 5.599 -4.302 4.099 619 HA GLN 82 HA GLN 82 5.018 -7.172 4.125 620 HB2 GLN 82 2HB GLN 82 7.551 -5.656 3.445 621 HB3 GLN 82 1HB GLN 82 7.362 -7.402 3.334 622 HG2 GLN 82 2HG GLN 82 5.654 -7.139 1.631 623 HG3 GLN 82 1HG GLN 82 5.754 -5.384 1.773 624 HE21 GLN 82 1HE2 GLN 82 6.222 -7.150 -0.526 625 HE22 GLN 82 2HE2 GLN 82 7.820 -6.789 -1.073 626 H MET 83 H MET 83 6.673 -8.580 5.263 627 HA MET 83 HA MET 83 6.770 -7.831 8.031 628 HB2 MET 83 2HB MET 83 7.820 -10.076 8.333 629 HB3 MET 83 1HB MET 83 6.283 -10.118 7.480 630 HG2 MET 83 2HG MET 83 7.508 -10.282 5.342 631 HG3 MET 83 1HG MET 83 9.024 -10.337 6.244 632 HE1 MET 83 3HE MET 83 9.698 -12.623 5.040 633 HE2 MET 83 1HE MET 83 8.201 -12.533 4.111 634 HE3 MET 83 2HE MET 83 8.626 -14.020 4.955 635 H TYR 84 H TYR 84 8.275 -6.513 8.839 636 HA TYR 84 HA TYR 84 10.889 -6.274 7.567 637 HD1 TYR 84 HD2 TYR 84 11.269 -3.686 6.692 638 HD2 TYR 84 HD1 TYR 84 7.669 -3.870 8.963 639 HE1 TYR 84 HE2 TYR 84 10.161 -2.229 5.050 640 HE2 TYR 84 HE1 TYR 84 6.556 -2.419 7.326 641 HH TYR 84 HH TYR 84 7.816 -1.756 4.284 642 HB2 TYR 84 2HB TYR 84 9.664 -4.745 9.879 643 HB3 TYR 84 1HB TYR 84 11.223 -4.384 9.144 644 H SER 85 H SER 85 12.862 -6.200 8.920 645 HA SER 85 HA SER 85 12.959 -8.510 10.688 646 HG SER 85 HG SER 85 15.229 -7.764 8.013 647 HB2 SER 85 2HB SER 85 15.208 -6.677 9.803 648 HB3 SER 85 1HB SER 85 15.386 -8.246 10.588 649 H SER 86 H SER 86 13.111 -5.025 10.945 650 HA SER 86 HA SER 86 13.171 -5.249 13.875 651 HG SER 86 HG SER 86 15.550 -5.649 13.806 652 HB2 SER 86 2HB SER 86 14.916 -3.308 12.327 653 HB3 SER 86 1HB SER 86 14.790 -3.417 14.082 654 H THR 87 H THR 87 12.396 -3.299 14.982 655 HA THR 87 HA THR 87 9.998 -2.316 13.886 656 HB THR 87 HB THR 87 9.950 -0.727 15.794 657 HG1 THR 87 HG1 THR 87 11.705 -0.665 17.221 658 HG21 THR 87 3HG2 THR 87 9.188 -3.036 16.120 659 HG22 THR 87 1HG2 THR 87 9.952 -2.413 17.581 660 HG23 THR 87 2HG2 THR 87 10.831 -3.527 16.534 661 H ALA 88 H ALA 88 13.192 -0.786 14.124 662 HA ALA 88 HA ALA 88 12.605 1.807 13.389 663 HB1 ALA 88 3HB ALA 88 14.909 2.001 12.641 664 HB2 ALA 88 1HB ALA 88 15.053 0.245 12.563 665 HB3 ALA 88 2HB ALA 88 14.824 1.044 14.119 666 H ALA 89 H ALA 89 13.408 -0.881 11.172 667 HA ALA 89 HA ALA 89 13.183 0.496 8.756 668 HB1 ALA 89 3HB ALA 89 12.522 -2.403 9.276 669 HB2 ALA 89 1HB ALA 89 14.135 -1.757 8.967 670 HB3 ALA 89 2HB ALA 89 12.898 -1.684 7.711 671 H ARG 90 H ARG 90 10.667 -0.976 10.750 672 HA ARG 90 HA ARG 90 8.541 -0.890 8.895 673 HE ARG 90 HE ARG 90 7.180 0.084 13.172 674 HB2 ARG 90 2HB ARG 90 8.431 -2.217 10.938 675 HB3 ARG 90 1HB ARG 90 8.519 -0.763 11.920 676 HG2 ARG 90 2HG ARG 90 6.338 -0.066 10.769 677 HG3 ARG 90 1HG ARG 90 6.240 -1.743 10.226 678 HD2 ARG 90 2HD ARG 90 4.970 -1.414 12.289 679 HD3 ARG 90 1HD ARG 90 6.334 -2.502 12.557 680 HH11 ARG 90 1HH1 ARG 90 4.927 -2.233 14.400 681 HH12 ARG 90 2HH1 ARG 90 5.044 -1.630 16.016 682 HH21 ARG 90 1HH2 ARG 90 7.300 0.839 15.215 683 HH22 ARG 90 2HH2 ARG 90 6.355 0.101 16.471 684 H ASP 91 H ASP 91 9.274 1.356 11.588 685 HA ASP 91 HA ASP 91 7.247 3.207 10.842 686 HB2 ASP 91 2HB ASP 91 9.630 3.498 12.683 687 HB3 ASP 91 1HB ASP 91 8.344 4.697 12.526 688 H ASN 92 H ASN 92 10.696 2.997 10.121 689 HA ASN 92 HA ASN 92 11.013 5.457 8.803 690 HB2 ASN 92 2HB ASN 92 12.891 3.933 9.360 691 HB3 ASN 92 1HB ASN 92 12.331 2.807 8.126 692 HD21 ASN 92 1HD2 ASN 92 12.581 3.361 5.945 693 HD22 ASN 92 2HD2 ASN 92 13.655 4.614 5.443 694 H GLY 93 H GLY 93 9.910 2.295 7.590 695 HA2 GLY 93 2HA GLY 93 9.461 2.958 4.910 696 HA3 GLY 93 1HA GLY 93 8.570 1.737 5.806 697 H ILE 94 H ILE 94 7.320 3.349 7.719 698 HA ILE 94 HA ILE 94 5.060 4.370 6.440 699 HB ILE 94 HB ILE 94 6.159 5.188 9.143 700 HG12 ILE 94 2HG1 ILE 94 4.151 3.038 8.395 701 HG13 ILE 94 1HG1 ILE 94 5.813 2.750 8.900 702 HG21 ILE 94 1HG2 ILE 94 3.847 5.823 9.687 703 HG22 ILE 94 2HG2 ILE 94 3.352 5.444 8.038 704 HG23 ILE 94 3HG2 ILE 94 4.472 6.772 8.339 705 HD11 ILE 94 3HD1 ILE 94 4.273 2.337 10.712 706 HD12 ILE 94 1HD1 ILE 94 3.635 3.974 10.574 707 HD13 ILE 94 2HD1 ILE 94 5.304 3.717 11.087 708 H LYS 95 H LYS 95 7.949 6.127 7.609 709 HA LYS 95 HA LYS 95 7.223 8.708 6.821 710 HB2 LYS 95 2HB LYS 95 9.968 7.425 6.777 711 HB3 LYS 95 1HB LYS 95 9.670 9.151 6.612 712 HG2 LYS 95 2HG LYS 95 8.694 9.210 8.852 713 HG3 LYS 95 1HG LYS 95 8.970 7.474 9.019 714 HD2 LYS 95 2HD LYS 95 10.715 8.754 10.157 715 HD3 LYS 95 1HD LYS 95 11.385 7.832 8.813 716 HE2 LYS 95 2HE LYS 95 12.340 10.066 8.870 717 HE3 LYS 95 1HE LYS 95 11.357 9.861 7.421 718 HZ1 LYS 95 3HZ LYS 95 10.935 11.996 8.418 719 HZ2 LYS 95 1HZ LYS 95 10.550 11.283 9.903 720 HZ3 LYS 95 2HZ LYS 95 9.551 11.038 8.561 721 H SER 96 H SER 96 8.776 6.135 4.922 722 HA SER 96 HA SER 96 9.053 7.532 2.500 723 HG SER 96 HG SER 96 10.826 4.447 2.782 724 HB2 SER 96 2HB SER 96 8.574 4.564 2.932 725 HB3 SER 96 1HB SER 96 9.125 5.293 1.425 726 H VAL 97 H VAL 97 6.278 5.785 3.846 727 HA VAL 97 HA VAL 97 4.613 5.903 1.561 728 HB VAL 97 HB VAL 97 3.700 5.991 4.441 729 HG11 VAL 97 1HG1 VAL 97 1.668 4.894 3.595 730 HG12 VAL 97 2HG1 VAL 97 2.303 4.999 1.953 731 HG13 VAL 97 3HG1 VAL 97 1.918 6.472 2.844 732 HG21 VAL 97 3HG2 VAL 97 5.252 4.147 4.128 733 HG22 VAL 97 1HG2 VAL 97 4.318 3.581 2.744 734 HG23 VAL 97 2HG2 VAL 97 3.609 3.552 4.359 735 H MET 98 H MET 98 5.076 8.155 4.263 736 HA MET 98 HA MET 98 3.033 9.977 3.568 737 HB2 MET 98 2HB MET 98 5.594 10.463 5.105 738 HB3 MET 98 1HB MET 98 4.229 11.569 5.045 739 HG2 MET 98 2HG MET 98 2.819 9.845 6.105 740 HG3 MET 98 1HG MET 98 4.231 8.793 6.217 741 HE1 MET 98 3HE MET 98 4.166 12.703 6.679 742 HE2 MET 98 1HE MET 98 3.884 12.842 8.414 743 HE3 MET 98 2HE MET 98 2.626 12.186 7.366 744 H GLU 99 H GLU 99 6.473 9.877 2.666 745 HA GLU 99 HA GLU 99 6.223 12.411 1.255 746 HB2 GLU 99 2HB GLU 99 8.225 11.891 2.626 747 HB3 GLU 99 1HB GLU 99 8.632 10.599 1.504 748 HG2 GLU 99 2HG GLU 99 9.949 12.590 1.065 749 HG3 GLU 99 1HG GLU 99 8.893 12.222 -0.297 750 H ASN 100 H ASN 100 6.462 8.992 0.419 751 HA ASN 100 HA ASN 100 6.760 9.659 -2.423 752 HB2 ASN 100 2HB ASN 100 6.841 6.989 -0.997 753 HB3 ASN 100 1HB ASN 100 6.983 7.180 -2.741 754 HD21 ASN 100 1HD2 ASN 100 8.535 7.736 0.324 755 HD22 ASN 100 2HD2 ASN 100 10.108 8.036 -0.313 756 H GLY 101 H GLY 101 4.356 8.359 -0.207 757 HA2 GLY 101 2HA GLY 101 2.615 7.214 -2.119 758 HA3 GLY 101 1HA GLY 101 2.167 7.716 -0.499 759 H LYS 102 H LYS 102 3.254 10.509 -1.518 760 HA LYS 102 HA LYS 102 0.652 11.514 -2.251 761 HB2 LYS 102 2HB LYS 102 1.717 13.721 -2.191 762 HB3 LYS 102 1HB LYS 102 2.117 12.787 -0.754 763 HG2 LYS 102 2HG LYS 102 4.304 12.238 -1.712 764 HG3 LYS 102 1HG LYS 102 3.905 13.174 -3.155 765 HD2 LYS 102 2HD LYS 102 5.319 14.476 -1.655 766 HD3 LYS 102 1HD LYS 102 3.718 15.204 -1.778 767 HE2 LYS 102 2HE LYS 102 3.082 14.247 0.360 768 HE3 LYS 102 1HE LYS 102 4.624 13.398 0.469 769 HZ1 LYS 102 3HZ LYS 102 4.534 15.456 1.792 770 HZ2 LYS 102 1HZ LYS 102 4.341 16.350 0.373 771 HZ3 LYS 102 2HZ LYS 102 5.768 15.481 0.634 772 H THR 103 H THR 103 2.979 10.032 -4.074 773 HA THR 103 HA THR 103 3.158 11.748 -6.342 774 HB THR 103 HB THR 103 4.841 10.017 -5.972 775 HG1 THR 103 HG1 THR 103 5.039 9.484 -8.097 776 HG21 THR 103 3HG2 THR 103 4.350 7.653 -6.380 777 HG22 THR 103 1HG2 THR 103 2.648 8.038 -6.621 778 HG23 THR 103 2HG2 THR 103 3.386 8.265 -5.037 779 H THR 104 H THR 104 1.994 11.870 -8.190 780 HA THR 104 HA THR 104 -0.625 10.584 -8.252 781 HB THR 104 HB THR 104 -1.085 12.032 -10.183 782 HG1 THR 104 HG1 THR 104 0.463 13.251 -11.110 783 HG21 THR 104 3HG2 THR 104 -0.912 14.217 -9.059 784 HG22 THR 104 1HG2 THR 104 0.210 13.522 -7.888 785 HG23 THR 104 2HG2 THR 104 -1.461 12.960 -7.951 786 H THR 105 H THR 105 2.428 9.809 -9.354 787 HA THR 105 HA THR 105 1.885 8.923 -12.009 788 HB THR 105 HB THR 105 4.147 8.050 -10.187 789 HG1 THR 105 HG1 THR 105 5.143 9.871 -10.738 790 HG21 THR 105 3HG2 THR 105 3.916 8.034 -13.206 791 HG22 THR 105 1HG2 THR 105 3.857 6.611 -12.166 792 HG23 THR 105 2HG2 THR 105 5.338 7.563 -12.274 793 H ILE 106 H ILE 106 0.103 7.561 -12.004 794 HA ILE 106 HA ILE 106 0.350 4.982 -10.603 795 HB ILE 106 HB ILE 106 -2.013 6.133 -12.118 796 HG12 ILE 106 2HG1 ILE 106 -1.534 5.886 -9.128 797 HG13 ILE 106 1HG1 ILE 106 -1.485 7.387 -10.048 798 HG21 ILE 106 1HG2 ILE 106 -3.298 4.304 -11.098 799 HG22 ILE 106 2HG2 ILE 106 -1.822 3.670 -10.372 800 HG23 ILE 106 3HG2 ILE 106 -2.003 3.687 -12.125 801 HD11 ILE 106 3HD1 ILE 106 -3.855 7.127 -10.586 802 HD12 ILE 106 1HD1 ILE 106 -3.573 7.163 -8.844 803 HD13 ILE 106 2HD1 ILE 106 -3.897 5.630 -9.652 804 H LYS 107 H LYS 107 1.385 3.436 -11.737 805 HA LYS 107 HA LYS 107 1.321 3.515 -14.673 806 HB2 LYS 107 2HB LYS 107 3.117 1.951 -12.803 807 HB3 LYS 107 1HB LYS 107 3.239 1.965 -14.559 808 HG2 LYS 107 2HG LYS 107 3.649 4.421 -14.451 809 HG3 LYS 107 1HG LYS 107 3.672 4.294 -12.692 810 HD2 LYS 107 2HD LYS 107 5.940 4.290 -13.560 811 HD3 LYS 107 1HD LYS 107 5.567 2.720 -12.846 812 HE2 LYS 107 2HE LYS 107 6.789 2.542 -14.991 813 HE3 LYS 107 1HE LYS 107 5.212 1.758 -15.036 814 HZ1 LYS 107 3HZ LYS 107 4.323 3.491 -16.322 815 HZ2 LYS 107 1HZ LYS 107 5.830 3.168 -17.015 816 HZ3 LYS 107 2HZ LYS 107 5.629 4.521 -16.021 817 H ASP 108 H ASP 108 0.277 2.061 -15.862 818 HA ASP 108 HA ASP 108 -1.206 -0.071 -14.535 819 HB2 ASP 108 2HB ASP 108 -2.300 1.478 -16.164 820 HB3 ASP 108 1HB ASP 108 -1.278 0.814 -17.433 821 H LEU 109 H LEU 109 -0.755 -2.197 -14.696 822 HA LEU 109 HA LEU 109 1.222 -3.114 -16.701 823 HG LEU 109 HG LEU 109 2.014 -2.129 -13.768 824 HB2 LEU 109 2HB LEU 109 0.754 -4.249 -13.935 825 HB3 LEU 109 1HB LEU 109 1.917 -4.843 -15.105 826 HD11 LEU 109 1HD1 LEU 109 2.479 -3.923 -12.196 827 HD12 LEU 109 2HD1 LEU 109 3.954 -3.032 -12.572 828 HD13 LEU 109 3HD1 LEU 109 3.667 -4.611 -13.306 829 HD21 LEU 109 3HD2 LEU 109 2.990 -2.085 -16.006 830 HD22 LEU 109 1HD2 LEU 109 3.989 -3.483 -15.610 831 HD23 LEU 109 2HD2 LEU 109 4.241 -1.951 -14.772 832 H THR 110 H THR 110 -1.932 -3.084 -16.212 833 HA THR 110 HA THR 110 -2.558 -5.921 -16.361 834 HB THR 110 HB THR 110 -4.882 -5.289 -16.281 835 HG1 THR 110 HG1 THR 110 -4.030 -2.567 -16.530 836 HG21 THR 110 3HG2 THR 110 -3.666 -5.172 -14.146 837 HG22 THR 110 1HG2 THR 110 -4.967 -3.982 -14.213 838 HG23 THR 110 2HG2 THR 110 -3.294 -3.474 -14.452 839 H LEU 111 H LEU 111 -2.962 -3.059 -18.442 840 HA LEU 111 HA LEU 111 -4.051 -4.400 -20.669 841 HG LEU 111 HG LEU 111 -4.456 -1.661 -19.213 842 HB2 LEU 111 2HB LEU 111 -2.399 -1.868 -20.594 843 HB3 LEU 111 1HB LEU 111 -3.382 -2.395 -21.947 844 HD11 LEU 111 1HD1 LEU 111 -4.521 -0.108 -21.802 845 HD12 LEU 111 2HD1 LEU 111 -3.549 0.283 -20.382 846 HD13 LEU 111 3HD1 LEU 111 -5.308 0.352 -20.291 847 HD21 LEU 111 3HD2 LEU 111 -6.646 -1.760 -20.280 848 HD22 LEU 111 1HD2 LEU 111 -5.830 -3.320 -20.381 849 HD23 LEU 111 2HD2 LEU 111 -5.902 -2.268 -21.797 850 H GLU 112 H GLU 112 -0.718 -3.715 -19.734 851 HA GLU 112 HA GLU 112 0.313 -5.915 -21.218 852 HB2 GLU 112 2HB GLU 112 1.745 -4.639 -22.785 853 HB3 GLU 112 1HB GLU 112 0.032 -4.441 -23.126 854 HG2 GLU 112 2HG GLU 112 0.047 -2.257 -22.045 855 HG3 GLU 112 1HG GLU 112 1.756 -2.452 -21.651 856 H HIS 113 H HIS 113 2.758 -5.938 -21.164 857 HA HIS 113 HA HIS 113 3.756 -4.649 -18.701 858 HD1 HIS 113 HD1 HIS 113 2.559 -8.487 -19.884 859 HD2 HIS 113 HD2 HIS 113 3.925 -6.872 -16.304 860 HE1 HIS 113 HE1 HIS 113 1.216 -9.602 -18.086 861 HE2 HIS 113 HE2 HIS 113 2.219 -8.777 -15.937 862 HB2 HIS 113 2HB HIS 113 4.739 -7.145 -20.117 863 HB3 HIS 113 1HB HIS 113 5.438 -6.465 -18.651 864 H HIS 114 H HIS 114 6.089 -4.029 -18.722 865 HA HIS 114 HA HIS 114 7.045 -3.275 -21.405 866 HD1 HIS 114 HD1 HIS 114 4.769 -0.918 -18.403 867 HD2 HIS 114 HD2 HIS 114 8.867 -1.311 -17.814 868 HE1 HIS 114 HE1 HIS 114 5.158 -0.372 -15.986 869 HE2 HIS 114 HE2 HIS 114 7.643 -0.568 -15.658 870 HB2 HIS 114 2HB HIS 114 7.740 -1.054 -20.503 871 HB3 HIS 114 1HB HIS 114 5.996 -1.287 -20.539 872 H HIS 115 H HIS 115 9.276 -2.929 -21.621 873 HA HIS 115 HA HIS 115 11.459 -3.432 -21.387 874 HD1 HIS 115 HD1 HIS 115 13.066 -4.336 -17.585 875 HD2 HIS 115 HD2 HIS 115 13.899 -1.639 -20.631 876 HE1 HIS 115 HE1 HIS 115 15.569 -4.207 -17.706 877 HE2 HIS 115 HE2 HIS 115 16.055 -2.575 -19.554 878 HB2 HIS 115 2HB HIS 115 11.256 -1.769 -19.530 879 HB3 HIS 115 1HB HIS 115 11.000 -3.104 -18.412 880 H HIS 116 H HIS 116 10.649 -5.603 -22.087 881 HA HIS 116 HA HIS 116 10.589 -7.751 -20.186 882 HD1 HIS 116 HD1 HIS 116 8.834 -10.218 -21.240 883 HD2 HIS 116 HD2 HIS 116 12.364 -10.065 -23.430 884 HE1 HIS 116 HE1 HIS 116 9.506 -12.605 -21.601 885 HE2 HIS 116 HE2 HIS 116 11.506 -12.482 -23.123 886 HB2 HIS 116 2HB HIS 116 9.342 -7.902 -22.272 887 HB3 HIS 116 1HB HIS 116 10.821 -7.735 -23.208 888 H HIS 117 H HIS 117 12.430 -8.185 -19.064 889 HA HIS 117 HA HIS 117 15.036 -7.699 -20.146 890 HD1 HIS 117 HD1 HIS 117 16.066 -10.682 -16.969 891 HD2 HIS 117 HD2 HIS 117 12.156 -9.283 -17.118 892 HE1 HIS 117 HE1 HIS 117 14.708 -12.341 -15.669 893 HE2 HIS 117 HE2 HIS 117 12.331 -11.569 -15.926 894 HB2 HIS 117 2HB HIS 117 15.920 -8.461 -18.054 895 HB3 HIS 117 1HB HIS 117 14.474 -7.522 -17.704 896 H HIS 118 H HIS 118 16.553 -9.102 -20.958 897 HA HIS 118 HA HIS 118 15.535 -11.743 -21.771 898 HD1 HIS 118 HD1 HIS 118 16.340 -8.048 -23.215 899 HD2 HIS 118 HD2 HIS 118 15.093 -11.504 -25.156 900 HE1 HIS 118 HE1 HIS 118 14.605 -7.303 -24.861 901 HE2 HIS 118 HE2 HIS 118 13.748 -9.422 -25.896 902 HB2 HIS 118 2HB HIS 118 17.883 -10.143 -22.833 903 HB3 HIS 118 1HB HIS 118 17.310 -11.677 -23.485 Start of MODEL 14 1 HA MET 1 HA MET 1 6.724 11.111 -3.368 2 H1 MET 1 1H MET 1 8.845 11.107 -2.275 3 H2 MET 1 2H MET 1 7.976 12.487 -1.827 4 H3 MET 1 3H MET 1 9.242 12.612 -2.937 5 HB2 MET 1 2HB MET 1 7.630 13.764 -4.526 6 HB3 MET 1 1HB MET 1 6.170 12.899 -4.991 7 HG2 MET 1 2HG MET 1 5.365 13.105 -2.652 8 HG3 MET 1 1HG MET 1 6.779 14.093 -2.292 9 HE1 MET 1 3HE MET 1 7.248 16.465 -3.468 10 HE2 MET 1 1HE MET 1 6.157 17.192 -4.649 11 HE3 MET 1 2HE MET 1 7.051 15.729 -5.059 12 H SER 2 H SER 2 9.751 10.547 -3.789 13 HA SER 2 HA SER 2 10.068 10.405 -6.646 14 HG SER 2 HG SER 2 13.049 10.770 -4.656 15 HB2 SER 2 2HB SER 2 11.657 9.056 -4.442 16 HB3 SER 2 1HB SER 2 12.130 9.141 -6.139 17 H GLY 3 H GLY 3 8.405 8.502 -4.389 18 HA2 GLY 3 2HA GLY 3 8.699 5.956 -5.705 19 HA3 GLY 3 1HA GLY 3 7.562 6.347 -4.429 20 H TRP 4 H TRP 4 6.584 4.747 -6.274 21 HA TRP 4 HA TRP 4 4.628 6.364 -7.691 22 HD1 TRP 4 HD1 TRP 4 5.255 2.530 -9.615 23 HE1 TRP 4 HE1 TRP 4 7.328 1.024 -9.765 24 HE3 TRP 4 HE3 TRP 4 8.887 6.069 -8.907 25 HZ2 TRP 4 HZ2 TRP 4 10.132 1.290 -9.613 26 HZ3 TRP 4 HZ3 TRP 4 11.243 5.354 -8.927 27 HH2 TRP 4 HH2 TRP 4 11.851 3.012 -9.272 28 HB2 TRP 4 2HB TRP 4 5.037 5.267 -9.868 29 HB3 TRP 4 1HB TRP 4 6.432 6.201 -9.340 30 H TYR 5 H TYR 5 2.930 4.980 -8.743 31 HA TYR 5 HA TYR 5 2.434 2.558 -7.123 32 HD1 TYR 5 HD1 TYR 5 1.202 6.364 -7.773 33 HD2 TYR 5 HD2 TYR 5 -0.091 3.162 -5.287 34 HE1 TYR 5 HE1 TYR 5 0.890 7.943 -5.919 35 HE2 TYR 5 HE2 TYR 5 -0.402 4.733 -3.421 36 HH TYR 5 HH TYR 5 0.270 6.899 -2.696 37 HB2 TYR 5 2HB TYR 5 0.462 4.212 -8.728 38 HB3 TYR 5 1HB TYR 5 0.070 2.863 -7.671 39 H GLU 6 H GLU 6 1.827 0.624 -8.110 40 HA GLU 6 HA GLU 6 1.837 0.536 -11.064 41 HB2 GLU 6 2HB GLU 6 3.243 -1.334 -9.152 42 HB3 GLU 6 1HB GLU 6 2.947 -1.732 -10.839 43 HG2 GLU 6 2HG GLU 6 4.355 0.011 -11.600 44 HG3 GLU 6 1HG GLU 6 4.441 0.735 -9.994 45 H LEU 7 H LEU 7 -0.215 0.085 -11.582 46 HA LEU 7 HA LEU 7 -1.815 -1.746 -9.960 47 HG LEU 7 HG LEU 7 -3.975 -2.200 -11.979 48 HB2 LEU 7 2HB LEU 7 -2.858 0.324 -10.759 49 HB3 LEU 7 1HB LEU 7 -2.517 -0.131 -12.419 50 HD11 LEU 7 1HD1 LEU 7 -4.043 -2.070 -9.556 51 HD12 LEU 7 2HD1 LEU 7 -5.667 -1.968 -10.235 52 HD13 LEU 7 3HD1 LEU 7 -4.866 -0.511 -9.645 53 HD21 LEU 7 3HD2 LEU 7 -5.218 0.547 -12.031 54 HD22 LEU 7 1HD2 LEU 7 -6.044 -0.957 -12.440 55 HD23 LEU 7 2HD2 LEU 7 -4.690 -0.404 -13.421 56 H SER 8 H SER 8 -1.609 -3.867 -10.361 57 HA SER 8 HA SER 8 -1.301 -4.728 -13.172 58 HG SER 8 HG SER 8 -0.554 -5.603 -9.835 59 HB2 SER 8 2HB SER 8 0.009 -6.647 -12.407 60 HB3 SER 8 1HB SER 8 0.748 -5.159 -11.818 61 H LYS 9 H LYS 9 -2.240 -6.796 -13.729 62 HA LYS 9 HA LYS 9 -4.670 -7.352 -12.165 63 HB2 LYS 9 2HB LYS 9 -5.021 -6.842 -14.532 64 HB3 LYS 9 1HB LYS 9 -3.929 -8.142 -14.997 65 HG2 LYS 9 2HG LYS 9 -5.472 -9.765 -13.939 66 HG3 LYS 9 1HG LYS 9 -6.586 -8.441 -13.600 67 HD2 LYS 9 2HD LYS 9 -5.639 -9.208 -16.364 68 HD3 LYS 9 1HD LYS 9 -7.152 -9.762 -15.642 69 HE2 LYS 9 2HE LYS 9 -7.929 -7.457 -15.468 70 HE3 LYS 9 1HE LYS 9 -6.401 -6.875 -16.130 71 HZ1 LYS 9 3HZ LYS 9 -6.893 -8.073 -18.180 72 HZ2 LYS 9 1HZ LYS 9 -8.097 -6.939 -17.824 73 HZ3 LYS 9 2HZ LYS 9 -8.372 -8.584 -17.542 74 H SER 10 H SER 10 -5.054 -9.283 -11.224 75 HA SER 10 HA SER 10 -2.934 -11.245 -11.042 76 HG SER 10 HG SER 10 -3.692 -12.951 -9.096 77 HB2 SER 10 2HB SER 10 -4.169 -10.801 -9.023 78 HB3 SER 10 1HB SER 10 -5.706 -11.102 -9.829 79 H SER 11 H SER 11 -3.428 -13.602 -11.340 80 HA SER 11 HA SER 11 -4.388 -14.187 -13.932 81 HG SER 11 HG SER 11 -2.184 -14.731 -12.541 82 HB2 SER 11 2HB SER 11 -4.025 -16.098 -11.603 83 HB3 SER 11 1HB SER 11 -4.178 -16.557 -13.298 84 H ASN 12 H ASN 12 -6.021 -13.764 -10.960 85 HA ASN 12 HA ASN 12 -8.451 -15.159 -11.759 86 HB2 ASN 12 2HB ASN 12 -8.083 -13.286 -9.408 87 HB3 ASN 12 1HB ASN 12 -9.321 -14.520 -9.613 88 HD21 ASN 12 1HD2 ASN 12 -7.468 -14.177 -7.438 89 HD22 ASN 12 2HD2 ASN 12 -6.541 -15.632 -7.345 90 H ASP 13 H ASP 13 -7.164 -12.483 -12.938 91 HA ASP 13 HA ASP 13 -7.839 -10.564 -13.914 92 HB2 ASP 13 2HB ASP 13 -10.580 -11.786 -13.554 93 HB3 ASP 13 1HB ASP 13 -10.292 -10.279 -14.422 94 H GLN 14 H GLN 14 -8.014 -11.069 -10.808 95 HA GLN 14 HA GLN 14 -9.539 -8.769 -9.940 96 HB2 GLN 14 2HB GLN 14 -7.602 -10.531 -8.417 97 HB3 GLN 14 1HB GLN 14 -8.650 -9.311 -7.703 98 HG2 GLN 14 2HG GLN 14 -10.617 -10.562 -8.437 99 HG3 GLN 14 1HG GLN 14 -9.572 -11.781 -9.164 100 HE21 GLN 14 1HE2 GLN 14 -10.743 -10.429 -6.186 101 HE22 GLN 14 2HE2 GLN 14 -10.234 -11.724 -5.168 102 H PHE 15 H PHE 15 -8.755 -6.768 -9.424 103 HA PHE 15 HA PHE 15 -6.132 -6.140 -10.536 104 HD1 PHE 15 HD1 PHE 15 -6.660 -4.288 -12.799 105 HD2 PHE 15 HD2 PHE 15 -10.175 -5.372 -10.647 106 HE1 PHE 15 HE1 PHE 15 -7.849 -4.646 -14.922 107 HE2 PHE 15 HE2 PHE 15 -11.370 -5.728 -12.771 108 HZ PHE 15 HZ PHE 15 -10.205 -5.364 -14.912 109 HB2 PHE 15 2HB PHE 15 -8.317 -4.299 -9.528 110 HB3 PHE 15 1HB PHE 15 -6.879 -3.807 -10.420 111 H LYS 16 H LYS 16 -4.396 -5.431 -9.414 112 HA LYS 16 HA LYS 16 -4.659 -4.643 -6.613 113 HB2 LYS 16 2HB LYS 16 -2.798 -6.193 -5.951 114 HB3 LYS 16 1HB LYS 16 -4.311 -6.993 -6.350 115 HG2 LYS 16 2HG LYS 16 -3.456 -7.672 -8.496 116 HG3 LYS 16 1HG LYS 16 -1.981 -6.733 -8.250 117 HD2 LYS 16 2HD LYS 16 -1.293 -8.168 -6.447 118 HD3 LYS 16 1HD LYS 16 -2.839 -9.015 -6.467 119 HE2 LYS 16 2HE LYS 16 -2.344 -9.894 -8.689 120 HE3 LYS 16 1HE LYS 16 -0.820 -9.007 -8.713 121 HZ1 LYS 16 3HZ LYS 16 -0.681 -11.420 -8.095 122 HZ2 LYS 16 1HZ LYS 16 -1.458 -11.032 -6.642 123 HZ3 LYS 16 2HZ LYS 16 0.047 -10.353 -7.004 124 H PHE 17 H PHE 17 -3.311 -3.003 -6.104 125 HA PHE 17 HA PHE 17 -1.124 -2.406 -7.986 126 HD1 PHE 17 HD2 PHE 17 -4.805 -1.038 -6.521 127 HD2 PHE 17 HD1 PHE 17 -1.183 0.733 -5.134 128 HE1 PHE 17 HE2 PHE 17 -5.977 -0.193 -4.531 129 HE2 PHE 17 HE1 PHE 17 -2.358 1.580 -3.147 130 HZ PHE 17 HZ PHE 17 -4.757 1.118 -2.844 131 HB2 PHE 17 2HB PHE 17 -1.380 -0.041 -7.412 132 HB3 PHE 17 1HB PHE 17 -2.888 -0.706 -8.022 133 H VAL 18 H VAL 18 0.877 -1.749 -7.222 134 HA VAL 18 HA VAL 18 1.348 -2.050 -4.315 135 HB VAL 18 HB VAL 18 3.603 -2.888 -4.813 136 HG11 VAL 18 1HG1 VAL 18 1.805 -4.503 -4.483 137 HG12 VAL 18 2HG1 VAL 18 2.979 -5.108 -5.652 138 HG13 VAL 18 3HG1 VAL 18 1.432 -4.466 -6.208 139 HG21 VAL 18 3HG2 VAL 18 4.216 -3.544 -7.114 140 HG22 VAL 18 1HG2 VAL 18 3.990 -1.800 -6.956 141 HG23 VAL 18 2HG2 VAL 18 2.739 -2.787 -7.713 142 H LEU 19 H LEU 19 3.119 -0.787 -3.435 143 HA LEU 19 HA LEU 19 3.682 1.676 -4.978 144 HG LEU 19 HG LEU 19 4.906 3.112 -2.381 145 HB2 LEU 19 2HB LEU 19 2.147 2.132 -3.159 146 HB3 LEU 19 1HB LEU 19 3.204 1.328 -2.012 147 HD11 LEU 19 1HD1 LEU 19 2.733 4.436 -4.007 148 HD12 LEU 19 2HD1 LEU 19 4.252 3.796 -4.629 149 HD13 LEU 19 3HD1 LEU 19 4.263 5.170 -3.528 150 HD21 LEU 19 3HD2 LEU 19 3.748 4.841 -1.107 151 HD22 LEU 19 1HD2 LEU 19 3.335 3.238 -0.500 152 HD23 LEU 19 2HD2 LEU 19 2.192 4.120 -1.512 153 H LYS 20 H LYS 20 5.778 1.904 -5.485 154 HA LYS 20 HA LYS 20 7.806 0.585 -3.803 155 HB2 LYS 20 2HB LYS 20 7.907 1.617 -6.639 156 HB3 LYS 20 1HB LYS 20 9.358 1.159 -5.755 157 HG2 LYS 20 2HG LYS 20 8.342 -1.113 -5.436 158 HG3 LYS 20 1HG LYS 20 7.048 -0.619 -6.531 159 HD2 LYS 20 2HD LYS 20 8.657 -0.265 -8.323 160 HD3 LYS 20 1HD LYS 20 9.994 -0.641 -7.234 161 HE2 LYS 20 2HE LYS 20 9.509 -2.558 -8.636 162 HE3 LYS 20 1HE LYS 20 9.100 -2.928 -6.961 163 HZ1 LYS 20 3HZ LYS 20 6.766 -2.402 -7.516 164 HZ2 LYS 20 1HZ LYS 20 7.367 -3.715 -8.394 165 HZ3 LYS 20 2HZ LYS 20 7.207 -2.200 -9.130 166 H ALA 21 H ALA 21 9.503 1.678 -2.872 167 HA ALA 21 HA ALA 21 8.997 4.426 -2.184 168 HB1 ALA 21 3HB ALA 21 9.781 2.779 -0.548 169 HB2 ALA 21 1HB ALA 21 10.863 4.166 -0.654 170 HB3 ALA 21 2HB ALA 21 11.304 2.642 -1.424 171 H GLY 22 H GLY 22 9.856 3.851 -5.013 172 HA2 GLY 22 2HA GLY 22 10.950 5.256 -6.530 173 HA3 GLY 22 1HA GLY 22 11.811 5.999 -5.195 174 H ASN 23 H ASN 23 13.039 3.760 -4.057 175 HA ASN 23 HA ASN 23 15.240 3.393 -5.864 176 HB2 ASN 23 2HB ASN 23 16.274 2.146 -4.034 177 HB3 ASN 23 1HB ASN 23 15.559 3.637 -3.429 178 HD21 ASN 23 1HD2 ASN 23 16.195 1.171 -2.014 179 HD22 ASN 23 2HD2 ASN 23 14.714 0.641 -1.301 180 H GLY 24 H GLY 24 12.324 1.775 -5.589 181 HA2 GLY 24 2HA GLY 24 11.828 -0.019 -7.150 182 HA3 GLY 24 1HA GLY 24 13.438 -0.653 -6.860 183 H GLU 25 H GLU 25 12.623 0.148 -3.880 184 HA GLU 25 HA GLU 25 11.913 -2.530 -3.119 185 HB2 GLU 25 2HB GLU 25 13.458 -1.143 -1.797 186 HB3 GLU 25 1HB GLU 25 12.160 -0.007 -1.463 187 HG2 GLU 25 2HG GLU 25 10.978 -1.659 -0.164 188 HG3 GLU 25 1HG GLU 25 12.155 -2.898 -0.603 189 H VAL 26 H VAL 26 9.912 -3.338 -2.911 190 HA VAL 26 HA VAL 26 7.582 -1.641 -3.146 191 HB VAL 26 HB VAL 26 7.702 -4.626 -2.632 192 HG11 VAL 26 1HG1 VAL 26 5.441 -2.886 -3.641 193 HG12 VAL 26 2HG1 VAL 26 5.542 -3.648 -2.053 194 HG13 VAL 26 3HG1 VAL 26 5.403 -4.644 -3.502 195 HG21 VAL 26 3HG2 VAL 26 8.857 -4.080 -4.710 196 HG22 VAL 26 1HG2 VAL 26 7.468 -3.136 -5.255 197 HG23 VAL 26 2HG2 VAL 26 7.324 -4.883 -5.052 198 H ILE 27 H ILE 27 7.084 -0.468 -1.373 199 HA ILE 27 HA ILE 27 7.520 -1.541 1.286 200 HB ILE 27 HB ILE 27 6.690 0.707 2.060 201 HG12 ILE 27 2HG1 ILE 27 6.697 1.277 -0.920 202 HG13 ILE 27 1HG1 ILE 27 5.300 1.322 0.148 203 HG21 ILE 27 1HG2 ILE 27 9.067 0.187 1.813 204 HG22 ILE 27 2HG2 ILE 27 8.739 1.874 1.420 205 HG23 ILE 27 3HG2 ILE 27 9.012 0.706 0.127 206 HD11 ILE 27 3HD1 ILE 27 6.051 3.560 -0.358 207 HD12 ILE 27 1HD1 ILE 27 7.668 3.183 0.233 208 HD13 ILE 27 2HD1 ILE 27 6.305 3.217 1.353 209 H LEU 28 H LEU 28 4.718 -0.756 -0.752 210 HA LEU 28 HA LEU 28 3.031 -2.181 1.209 211 HG LEU 28 HG LEU 28 1.382 1.025 2.017 212 HB2 LEU 28 2HB LEU 28 2.420 0.419 -0.180 213 HB3 LEU 28 1HB LEU 28 1.127 -0.637 0.346 214 HD11 LEU 28 1HD1 LEU 28 2.766 -1.456 3.022 215 HD12 LEU 28 2HD1 LEU 28 1.023 -1.238 2.873 216 HD13 LEU 28 3HD1 LEU 28 1.942 -0.242 4.002 217 HD21 LEU 28 3HD2 LEU 28 4.314 0.366 2.131 218 HD22 LEU 28 1HD2 LEU 28 3.460 1.531 3.138 219 HD23 LEU 28 2HD2 LEU 28 3.606 1.807 1.402 220 H THR 29 H THR 29 2.075 -3.911 0.367 221 HA THR 29 HA THR 29 1.282 -3.874 -2.485 222 HB THR 29 HB THR 29 1.791 -6.244 -0.661 223 HG1 THR 29 HG1 THR 29 3.734 -6.026 -1.465 224 HG21 THR 29 3HG2 THR 29 1.354 -7.641 -2.655 225 HG22 THR 29 1HG2 THR 29 0.847 -6.204 -3.540 226 HG23 THR 29 2HG2 THR 29 -0.082 -6.755 -2.145 227 H SER 30 H SER 30 -0.841 -3.609 -2.854 228 HA SER 30 HA SER 30 -2.718 -3.545 -0.676 229 HG SER 30 HG SER 30 -4.991 -1.918 -2.497 230 HB2 SER 30 2HB SER 30 -2.859 -1.931 -2.517 231 HB3 SER 30 1HB SER 30 -3.175 -3.237 -3.657 232 H GLU 31 H GLU 31 -5.083 -4.481 -1.474 233 HA GLU 31 HA GLU 31 -4.734 -7.378 -1.360 234 HB2 GLU 31 2HB GLU 31 -7.091 -7.456 -0.786 235 HB3 GLU 31 1HB GLU 31 -6.285 -6.238 0.193 236 HG2 GLU 31 2HG GLU 31 -7.210 -4.463 -1.122 237 HG3 GLU 31 1HG GLU 31 -7.855 -5.603 -2.302 238 H LEU 32 H LEU 32 -7.031 -8.346 -2.507 239 HA LEU 32 HA LEU 32 -6.598 -7.864 -5.376 240 HG LEU 32 HG LEU 32 -5.497 -10.273 -3.802 241 HB2 LEU 32 2HB LEU 32 -7.969 -10.133 -3.924 242 HB3 LEU 32 1HB LEU 32 -7.864 -9.999 -5.670 243 HD11 LEU 32 1HD1 LEU 32 -5.286 -12.529 -4.758 244 HD12 LEU 32 2HD1 LEU 32 -6.797 -12.288 -5.640 245 HD13 LEU 32 3HD1 LEU 32 -6.800 -12.321 -3.876 246 HD21 LEU 32 3HD2 LEU 32 -4.205 -10.607 -5.866 247 HD22 LEU 32 1HD2 LEU 32 -4.945 -9.008 -5.814 248 HD23 LEU 32 2HD2 LEU 32 -5.649 -10.271 -6.822 249 H TYR 33 H TYR 33 -7.875 -6.154 -5.959 250 HA TYR 33 HA TYR 33 -10.577 -5.831 -4.985 251 HD1 TYR 33 HD2 TYR 33 -7.042 -4.255 -5.829 252 HD2 TYR 33 HD1 TYR 33 -10.730 -2.646 -4.439 253 HE1 TYR 33 HE2 TYR 33 -5.826 -2.933 -4.161 254 HE2 TYR 33 HE1 TYR 33 -9.519 -1.308 -2.766 255 HH TYR 33 HH TYR 33 -7.256 -1.486 -1.551 256 HB2 TYR 33 2HB TYR 33 -9.122 -4.361 -7.202 257 HB3 TYR 33 1HB TYR 33 -10.657 -3.880 -6.491 258 H THR 34 H THR 34 -12.503 -5.964 -6.208 259 HA THR 34 HA THR 34 -12.398 -7.834 -8.471 260 HB THR 34 HB THR 34 -14.847 -8.016 -8.222 261 HG1 THR 34 HG1 THR 34 -15.956 -6.728 -6.906 262 HG21 THR 34 3HG2 THR 34 -13.409 -9.508 -6.909 263 HG22 THR 34 1HG2 THR 34 -14.887 -9.111 -6.029 264 HG23 THR 34 2HG2 THR 34 -13.368 -8.323 -5.602 265 H GLY 35 H GLY 35 -12.448 -4.531 -8.018 266 HA2 GLY 35 2HA GLY 35 -13.460 -4.097 -10.763 267 HA3 GLY 35 1HA GLY 35 -13.979 -3.053 -9.449 268 H LYS 36 H LYS 36 -12.274 -2.733 -12.017 269 HA LYS 36 HA LYS 36 -9.624 -2.122 -11.246 270 HB2 LYS 36 2HB LYS 36 -10.320 -2.529 -13.589 271 HB3 LYS 36 1HB LYS 36 -11.191 -1.000 -13.583 272 HG2 LYS 36 2HG LYS 36 -9.077 0.197 -13.220 273 HG3 LYS 36 1HG LYS 36 -8.208 -1.340 -13.245 274 HD2 LYS 36 2HD LYS 36 -9.066 -1.713 -15.560 275 HD3 LYS 36 1HD LYS 36 -9.768 -0.094 -15.516 276 HE2 LYS 36 2HE LYS 36 -6.834 -0.769 -15.242 277 HE3 LYS 36 1HE LYS 36 -7.613 -0.098 -16.675 278 HZ1 LYS 36 3HZ LYS 36 -6.465 1.588 -15.354 279 HZ2 LYS 36 1HZ LYS 36 -7.464 1.250 -14.030 280 HZ3 LYS 36 2HZ LYS 36 -8.126 1.898 -15.445 281 H SER 37 H SER 37 -12.411 0.035 -11.815 282 HA SER 37 HA SER 37 -11.159 2.447 -11.135 283 HG SER 37 HG SER 37 -13.433 3.386 -12.842 284 HB2 SER 37 2HB SER 37 -14.075 1.667 -10.852 285 HB3 SER 37 1HB SER 37 -13.462 3.316 -10.750 286 H GLY 38 H GLY 38 -12.727 0.021 -9.088 287 HA2 GLY 38 2HA GLY 38 -12.733 1.441 -6.657 288 HA3 GLY 38 1HA GLY 38 -12.656 -0.311 -6.810 289 H ALA 39 H ALA 39 -10.231 -0.663 -8.066 290 HA ALA 39 HA ALA 39 -8.350 -0.405 -5.967 291 HB1 ALA 39 3HB ALA 39 -8.265 -2.181 -7.669 292 HB2 ALA 39 1HB ALA 39 -6.736 -1.314 -7.537 293 HB3 ALA 39 2HB ALA 39 -7.822 -0.982 -8.885 294 H MET 40 H MET 40 -8.716 1.367 -9.029 295 HA MET 40 HA MET 40 -6.483 3.050 -8.733 296 HB2 MET 40 2HB MET 40 -9.073 3.528 -10.228 297 HB3 MET 40 1HB MET 40 -7.625 4.515 -10.394 298 HG2 MET 40 2HG MET 40 -6.383 2.570 -11.206 299 HG3 MET 40 1HG MET 40 -7.824 1.572 -11.026 300 HE1 MET 40 3HE MET 40 -7.501 5.060 -14.035 301 HE2 MET 40 1HE MET 40 -6.202 4.605 -12.933 302 HE3 MET 40 2HE MET 40 -7.695 5.297 -12.298 303 H ASN 41 H ASN 41 -9.908 3.637 -7.853 304 HA ASN 41 HA ASN 41 -9.528 6.085 -6.547 305 HB2 ASN 41 2HB ASN 41 -11.525 3.871 -6.059 306 HB3 ASN 41 1HB ASN 41 -11.560 5.393 -5.173 307 HD21 ASN 41 1HD2 ASN 41 -13.515 6.037 -5.987 308 HD22 ASN 41 2HD2 ASN 41 -13.736 6.514 -7.633 309 H GLY 42 H GLY 42 -8.923 2.785 -5.450 310 HA2 GLY 42 2HA GLY 42 -8.322 3.271 -2.758 311 HA3 GLY 42 1HA GLY 42 -7.581 2.019 -3.748 312 H ILE 43 H ILE 43 -6.311 3.670 -5.657 313 HA ILE 43 HA ILE 43 -3.918 4.435 -4.364 314 HB ILE 43 HB ILE 43 -4.970 5.254 -7.087 315 HG12 ILE 43 2HG1 ILE 43 -3.032 3.063 -6.280 316 HG13 ILE 43 1HG1 ILE 43 -4.700 2.822 -6.787 317 HG21 ILE 43 1HG2 ILE 43 -2.635 5.785 -7.647 318 HG22 ILE 43 2HG2 ILE 43 -2.172 5.485 -5.973 319 HG23 ILE 43 3HG2 ILE 43 -3.261 6.816 -6.362 320 HD11 ILE 43 3HD1 ILE 43 -4.156 3.687 -9.000 321 HD12 ILE 43 1HD1 ILE 43 -3.146 2.307 -8.574 322 HD13 ILE 43 2HD1 ILE 43 -2.485 3.940 -8.494 323 H GLU 44 H GLU 44 -6.570 6.427 -5.689 324 HA GLU 44 HA GLU 44 -5.727 8.941 -4.848 325 HB2 GLU 44 2HB GLU 44 -8.582 7.924 -4.854 326 HB3 GLU 44 1HB GLU 44 -8.077 9.605 -4.930 327 HG2 GLU 44 2HG GLU 44 -7.454 7.544 -7.040 328 HG3 GLU 44 1HG GLU 44 -8.824 8.647 -7.101 329 H SER 45 H SER 45 -7.461 6.432 -3.042 330 HA SER 45 HA SER 45 -7.888 7.862 -0.653 331 HG SER 45 HG SER 45 -9.511 4.920 -1.688 332 HB2 SER 45 2HB SER 45 -7.516 4.884 -1.070 333 HB3 SER 45 1HB SER 45 -8.103 5.620 0.422 334 H VAL 46 H VAL 46 -5.134 5.868 -1.719 335 HA VAL 46 HA VAL 46 -3.588 5.955 0.611 336 HB VAL 46 HB VAL 46 -2.593 6.051 -2.257 337 HG11 VAL 46 1HG1 VAL 46 -1.127 5.289 0.279 338 HG12 VAL 46 2HG1 VAL 46 -0.838 6.722 -0.707 339 HG13 VAL 46 3HG1 VAL 46 -0.494 5.121 -1.361 340 HG21 VAL 46 3HG2 VAL 46 -2.364 3.627 -2.069 341 HG22 VAL 46 1HG2 VAL 46 -4.035 4.115 -1.800 342 HG23 VAL 46 2HG2 VAL 46 -3.015 3.676 -0.431 343 H GLN 47 H GLN 47 -3.755 8.270 -2.082 344 HA GLN 47 HA GLN 47 -1.874 10.132 -1.199 345 HB2 GLN 47 2HB GLN 47 -4.452 10.715 -2.674 346 HB3 GLN 47 1HB GLN 47 -3.023 11.742 -2.629 347 HG2 GLN 47 2HG GLN 47 -1.748 10.112 -3.856 348 HG3 GLN 47 1HG GLN 47 -3.077 8.956 -3.784 349 HE21 GLN 47 1HE2 GLN 47 -1.734 10.029 -6.109 350 HE22 GLN 47 2HE2 GLN 47 -2.956 10.793 -7.061 351 H THR 48 H THR 48 -5.362 9.979 -0.494 352 HA THR 48 HA THR 48 -5.456 12.261 1.191 353 HB THR 48 HB THR 48 -7.287 9.845 1.098 354 HG1 THR 48 HG1 THR 48 -7.708 12.466 0.049 355 HG21 THR 48 3HG2 THR 48 -7.733 12.525 2.435 356 HG22 THR 48 1HG2 THR 48 -7.528 10.976 3.255 357 HG23 THR 48 2HG2 THR 48 -8.947 11.259 2.247 358 H ASN 49 H ASN 49 -4.816 8.857 1.860 359 HA ASN 49 HA ASN 49 -5.064 9.180 4.720 360 HB2 ASN 49 2HB ASN 49 -4.276 6.818 3.012 361 HB3 ASN 49 1HB ASN 49 -4.387 6.757 4.771 362 HD21 ASN 49 1HD2 ASN 49 -5.928 5.324 2.760 363 HD22 ASN 49 2HD2 ASN 49 -7.580 5.709 3.065 364 H SER 50 H SER 50 -2.394 9.160 2.454 365 HA SER 50 HA SER 50 -0.269 8.378 4.001 366 HG SER 50 HG SER 50 -0.566 8.862 0.747 367 HB2 SER 50 2HB SER 50 -0.337 10.588 1.941 368 HB3 SER 50 1HB SER 50 1.150 9.928 2.623 369 HA PRO 51 HA PRO 51 0.239 12.734 6.063 370 HB2 PRO 51 2HB PRO 51 -1.864 14.444 6.001 371 HB3 PRO 51 1HB PRO 51 -0.622 14.423 4.741 372 HG2 PRO 51 2HG PRO 51 -3.336 13.138 4.740 373 HG3 PRO 51 1HG PRO 51 -2.559 14.098 3.466 374 HD2 PRO 51 2HD PRO 51 -2.599 11.397 3.402 375 HD3 PRO 51 1HD PRO 51 -1.224 12.332 2.776 376 H ILE 52 H ILE 52 -2.545 10.740 6.135 377 HA ILE 52 HA ILE 52 -3.210 11.458 8.911 378 HB ILE 52 HB ILE 52 -4.724 9.684 6.974 379 HG12 ILE 52 2HG1 ILE 52 -5.294 12.532 7.859 380 HG13 ILE 52 1HG1 ILE 52 -4.693 12.060 6.274 381 HG21 ILE 52 1HG2 ILE 52 -5.117 9.091 9.319 382 HG22 ILE 52 2HG2 ILE 52 -6.554 9.805 8.588 383 HG23 ILE 52 3HG2 ILE 52 -5.547 10.766 9.673 384 HD11 ILE 52 3HD1 ILE 52 -6.763 10.865 5.832 385 HD12 ILE 52 1HD1 ILE 52 -7.077 12.550 6.242 386 HD13 ILE 52 2HD1 ILE 52 -7.361 11.286 7.438 387 H GLU 53 H GLU 53 -1.526 10.409 10.019 388 HA GLU 53 HA GLU 53 -0.634 7.787 9.478 389 HB2 GLU 53 2HB GLU 53 0.677 9.455 10.746 390 HB3 GLU 53 1HB GLU 53 -0.457 9.315 12.084 391 HG2 GLU 53 2HG GLU 53 0.147 6.935 12.318 392 HG3 GLU 53 1HG GLU 53 1.318 7.122 11.015 393 H ALA 54 H ALA 54 -3.452 8.904 11.052 394 HA ALA 54 HA ALA 54 -3.989 6.724 12.778 395 HB1 ALA 54 3HB ALA 54 -5.151 8.854 12.984 396 HB2 ALA 54 1HB ALA 54 -6.303 7.536 12.768 397 HB3 ALA 54 2HB ALA 54 -5.920 8.604 11.417 398 H ARG 55 H ARG 55 -3.821 6.767 9.410 399 HA ARG 55 HA ARG 55 -5.567 4.400 9.201 400 HE ARG 55 HE ARG 55 -9.398 6.568 7.778 401 HB2 ARG 55 2HB ARG 55 -4.470 6.219 7.046 402 HB3 ARG 55 1HB ARG 55 -5.375 4.744 6.720 403 HG2 ARG 55 2HG ARG 55 -6.382 7.173 8.204 404 HG3 ARG 55 1HG ARG 55 -6.835 6.673 6.571 405 HD2 ARG 55 2HD ARG 55 -7.940 4.721 7.391 406 HD3 ARG 55 1HD ARG 55 -7.279 4.943 9.010 407 HH11 ARG 55 1HH1 ARG 55 -7.629 5.563 10.568 408 HH12 ARG 55 2HH1 ARG 55 -8.743 6.292 11.667 409 HH21 ARG 55 1HH2 ARG 55 -10.820 7.485 9.192 410 HH22 ARG 55 2HH2 ARG 55 -10.539 7.367 10.896 411 H TYR 56 H TYR 56 -2.339 5.213 9.554 412 HA TYR 56 HA TYR 56 -1.280 2.858 8.222 413 HD1 TYR 56 HD2 TYR 56 -0.882 6.635 8.393 414 HD2 TYR 56 HD1 TYR 56 1.759 3.511 7.220 415 HE1 TYR 56 HE2 TYR 56 -0.314 7.887 6.359 416 HE2 TYR 56 HE1 TYR 56 2.337 4.758 5.185 417 HH TYR 56 HH TYR 56 1.245 6.551 3.737 418 HB2 TYR 56 2HB TYR 56 -0.002 4.925 10.029 419 HB3 TYR 56 1HB TYR 56 0.866 3.525 9.412 420 H ALA 57 H ALA 57 -2.333 1.141 9.197 421 HA ALA 57 HA ALA 57 -2.792 0.810 11.943 422 HB1 ALA 57 3HB ALA 57 -3.286 -1.515 11.409 423 HB2 ALA 57 1HB ALA 57 -2.523 -1.329 9.828 424 HB3 ALA 57 2HB ALA 57 -3.995 -0.433 10.209 425 H LYS 58 H LYS 58 -1.134 0.942 13.370 426 HA LYS 58 HA LYS 58 1.425 -0.322 12.946 427 HB2 LYS 58 2HB LYS 58 0.297 0.699 15.565 428 HB3 LYS 58 1HB LYS 58 1.989 0.494 15.139 429 HG2 LYS 58 2HG LYS 58 0.127 2.481 13.842 430 HG3 LYS 58 1HG LYS 58 1.234 2.854 15.163 431 HD2 LYS 58 2HD LYS 58 3.139 2.252 13.760 432 HD3 LYS 58 1HD LYS 58 2.050 1.810 12.443 433 HE2 LYS 58 2HE LYS 58 3.067 4.067 12.180 434 HE3 LYS 58 1HE LYS 58 1.305 4.088 12.218 435 HZ1 LYS 58 3HZ LYS 58 2.411 5.845 13.568 436 HZ2 LYS 58 1HZ LYS 58 2.989 4.634 14.595 437 HZ3 LYS 58 2HZ LYS 58 1.325 4.884 14.437 438 H GLU 59 H GLU 59 1.561 -2.526 13.011 439 HA GLU 59 HA GLU 59 0.160 -3.969 15.154 440 HB2 GLU 59 2HB GLU 59 -0.034 -4.734 12.225 441 HB3 GLU 59 1HB GLU 59 -0.712 -5.640 13.574 442 HG2 GLU 59 2HG GLU 59 -2.173 -3.737 14.106 443 HG3 GLU 59 1HG GLU 59 -1.507 -2.851 12.738 444 H VAL 60 H VAL 60 1.239 -5.702 15.961 445 HA VAL 60 HA VAL 60 3.781 -6.461 14.645 446 HB VAL 60 HB VAL 60 3.143 -6.514 17.608 447 HG11 VAL 60 1HG1 VAL 60 5.714 -7.158 16.148 448 HG12 VAL 60 2HG1 VAL 60 4.675 -8.307 16.993 449 HG13 VAL 60 3HG1 VAL 60 5.528 -7.060 17.900 450 HG21 VAL 60 3HG2 VAL 60 4.774 -4.695 17.799 451 HG22 VAL 60 1HG2 VAL 60 3.422 -4.234 16.764 452 HG23 VAL 60 2HG2 VAL 60 4.971 -4.679 16.045 453 H ALA 61 H ALA 61 3.905 -8.498 13.950 454 HA ALA 61 HA ALA 61 1.825 -10.378 14.256 455 HB1 ALA 61 3HB ALA 61 3.286 -11.926 13.068 456 HB2 ALA 61 1HB ALA 61 4.662 -10.854 13.334 457 HB3 ALA 61 2HB ALA 61 3.320 -10.331 12.316 458 H LYS 62 H LYS 62 1.977 -12.558 15.178 459 HA LYS 62 HA LYS 62 2.651 -12.513 17.904 460 HB2 LYS 62 2HB LYS 62 0.921 -13.982 16.848 461 HB3 LYS 62 1HB LYS 62 2.219 -14.969 16.191 462 HG2 LYS 62 2HG LYS 62 1.309 -16.001 18.177 463 HG3 LYS 62 1HG LYS 62 2.970 -15.489 18.474 464 HD2 LYS 62 2HD LYS 62 1.615 -14.931 20.399 465 HD3 LYS 62 1HD LYS 62 2.093 -13.441 19.583 466 HE2 LYS 62 2HE LYS 62 -0.115 -13.369 18.474 467 HE3 LYS 62 1HE LYS 62 -0.583 -14.827 19.349 468 HZ1 LYS 62 3HZ LYS 62 -1.430 -12.858 20.431 469 HZ2 LYS 62 1HZ LYS 62 0.129 -12.217 20.572 470 HZ3 LYS 62 2HZ LYS 62 -0.291 -13.613 21.426 471 H ASN 63 H ASN 63 4.562 -13.328 15.128 472 HA ASN 63 HA ASN 63 6.654 -14.715 16.532 473 HB2 ASN 63 2HB ASN 63 6.658 -13.352 13.825 474 HB3 ASN 63 1HB ASN 63 7.954 -14.374 14.436 475 HD21 ASN 63 1HD2 ASN 63 6.220 -14.643 12.089 476 HD22 ASN 63 2HD2 ASN 63 5.492 -16.197 12.230 477 H ASP 64 H ASP 64 5.750 -11.799 17.244 478 HA ASP 64 HA ASP 64 6.671 -9.924 18.122 479 HB2 ASP 64 2HB ASP 64 9.210 -11.568 18.021 480 HB3 ASP 64 1HB ASP 64 9.085 -9.997 18.804 481 H LYS 65 H LYS 65 6.633 -10.468 15.155 482 HA LYS 65 HA LYS 65 8.795 -8.728 14.204 483 HB2 LYS 65 2HB LYS 65 6.841 -10.496 12.716 484 HB3 LYS 65 1HB LYS 65 8.049 -9.482 11.936 485 HG2 LYS 65 2HG LYS 65 9.834 -10.731 13.016 486 HG3 LYS 65 1HG LYS 65 8.647 -11.717 13.872 487 HD2 LYS 65 2HD LYS 65 7.864 -12.676 11.804 488 HD3 LYS 65 1HD LYS 65 8.870 -11.579 10.859 489 HE2 LYS 65 2HE LYS 65 10.879 -12.607 11.925 490 HE3 LYS 65 1HE LYS 65 9.813 -13.774 12.706 491 HZ1 LYS 65 3HZ LYS 65 10.796 -14.664 10.691 492 HZ2 LYS 65 1HZ LYS 65 10.127 -13.413 9.778 493 HZ3 LYS 65 2HZ LYS 65 9.120 -14.547 10.528 494 HA PRO 66 HA PRO 66 5.603 -5.511 14.136 495 HB2 PRO 66 2HB PRO 66 7.259 -3.398 13.898 496 HB3 PRO 66 1HB PRO 66 7.084 -4.282 15.418 497 HG2 PRO 66 2HG PRO 66 9.237 -4.495 13.343 498 HG3 PRO 66 1HG PRO 66 9.389 -4.445 15.110 499 HD2 PRO 66 2HD PRO 66 9.475 -6.761 13.645 500 HD3 PRO 66 1HD PRO 66 8.931 -6.688 15.333 501 H TYR 67 H TYR 67 4.453 -4.701 12.481 502 HA TYR 67 HA TYR 67 5.756 -3.852 10.008 503 HD1 TYR 67 HD2 TYR 67 4.350 -7.330 11.552 504 HD2 TYR 67 HD1 TYR 67 1.750 -5.238 8.901 505 HE1 TYR 67 HE2 TYR 67 2.427 -8.530 12.494 506 HE2 TYR 67 HE1 TYR 67 -0.176 -6.434 9.848 507 HH TYR 67 HH TYR 67 -0.705 -8.404 11.054 508 HB2 TYR 67 2HB TYR 67 4.111 -5.096 8.606 509 HB3 TYR 67 1HB TYR 67 5.195 -6.155 9.493 510 H PHE 68 H PHE 68 3.760 -3.075 8.465 511 HA PHE 68 HA PHE 68 1.665 -1.828 10.059 512 HD1 PHE 68 HD2 PHE 68 5.474 -0.899 8.637 513 HD2 PHE 68 HD1 PHE 68 2.075 1.045 6.953 514 HE1 PHE 68 HE2 PHE 68 6.788 -0.337 6.633 515 HE2 PHE 68 HE1 PHE 68 3.384 1.607 4.951 516 HZ PHE 68 HZ PHE 68 5.740 0.919 4.785 517 HB2 PHE 68 2HB PHE 68 2.063 0.411 9.231 518 HB3 PHE 68 1HB PHE 68 3.514 -0.177 10.027 519 H ASN 69 H ASN 69 -0.194 -1.347 8.959 520 HA ASN 69 HA ASN 69 -0.273 -2.010 6.077 521 HB2 ASN 69 2HB ASN 69 -2.403 -2.538 8.167 522 HB3 ASN 69 1HB ASN 69 -2.631 -2.745 6.436 523 HD21 ASN 69 1HD2 ASN 69 -1.298 -4.080 9.312 524 HD22 ASN 69 2HD2 ASN 69 -0.769 -5.567 8.612 525 H LEU 70 H LEU 70 -1.957 -0.907 4.861 526 HA LEU 70 HA LEU 70 -2.753 1.675 6.043 527 HG LEU 70 HG LEU 70 -3.533 3.111 3.419 528 HB2 LEU 70 2HB LEU 70 -0.934 1.856 4.332 529 HB3 LEU 70 1HB LEU 70 -2.031 1.167 3.150 530 HD11 LEU 70 1HD1 LEU 70 -1.380 4.174 5.249 531 HD12 LEU 70 2HD1 LEU 70 -3.019 3.719 5.714 532 HD13 LEU 70 3HD1 LEU 70 -2.757 5.093 4.641 533 HD21 LEU 70 3HD2 LEU 70 -2.106 4.755 2.295 534 HD22 LEU 70 1HD2 LEU 70 -1.850 3.132 1.655 535 HD23 LEU 70 2HD2 LEU 70 -0.675 3.839 2.765 536 H LYS 71 H LYS 71 -4.881 1.632 6.383 537 HA LYS 71 HA LYS 71 -6.643 0.247 4.467 538 HB2 LYS 71 2HB LYS 71 -7.097 1.156 7.313 539 HB3 LYS 71 1HB LYS 71 -8.410 0.633 6.270 540 HG2 LYS 71 2HG LYS 71 -7.104 -1.545 5.995 541 HG3 LYS 71 1HG LYS 71 -6.127 -0.989 7.358 542 HD2 LYS 71 2HD LYS 71 -8.165 -0.796 8.729 543 HD3 LYS 71 1HD LYS 71 -9.133 -1.356 7.368 544 HE2 LYS 71 2HE LYS 71 -8.789 -3.210 8.849 545 HE3 LYS 71 1HE LYS 71 -7.825 -3.485 7.399 546 HZ1 LYS 71 3HZ LYS 71 -6.792 -2.431 9.977 547 HZ2 LYS 71 1HZ LYS 71 -5.871 -2.730 8.592 548 HZ3 LYS 71 2HZ LYS 71 -6.596 -4.012 9.414 549 H ALA 72 H ALA 72 -8.595 1.262 3.757 550 HA ALA 72 HA ALA 72 -8.482 4.215 3.722 551 HB1 ALA 72 3HB ALA 72 -8.321 3.136 1.516 552 HB2 ALA 72 1HB ALA 72 -9.771 4.128 1.664 553 HB3 ALA 72 2HB ALA 72 -9.888 2.373 1.783 554 H ALA 73 H ALA 73 -10.858 5.114 3.277 555 HA ALA 73 HA ALA 73 -12.176 5.049 5.693 556 HB1 ALA 73 3HB ALA 73 -13.436 5.700 3.033 557 HB2 ALA 73 1HB ALA 73 -12.439 6.800 3.986 558 HB3 ALA 73 2HB ALA 73 -13.986 6.237 4.621 559 H ASN 74 H ASN 74 -12.916 3.063 2.838 560 HA ASN 74 HA ASN 74 -15.251 1.879 4.084 561 HB2 ASN 74 2HB ASN 74 -13.838 1.158 1.505 562 HB3 ASN 74 1HB ASN 74 -15.400 0.531 2.023 563 HD21 ASN 74 1HD2 ASN 74 -14.762 2.037 -0.358 564 HD22 ASN 74 2HD2 ASN 74 -15.723 3.469 -0.307 565 H HIS 75 H HIS 75 -12.308 1.480 5.029 566 HA HIS 75 HA HIS 75 -11.274 -0.062 6.343 567 HD1 HIS 75 HD1 HIS 75 -15.606 -0.160 6.851 568 HD2 HIS 75 HD2 HIS 75 -12.154 -0.046 9.164 569 HE1 HIS 75 HE1 HIS 75 -16.182 1.238 8.849 570 HE2 HIS 75 HE2 HIS 75 -14.134 1.164 10.303 571 HB2 HIS 75 2HB HIS 75 -13.820 -1.652 5.954 572 HB3 HIS 75 1HB HIS 75 -12.535 -2.087 7.075 573 H GLN 76 H GLN 76 -11.385 -0.181 3.287 574 HA GLN 76 HA GLN 76 -10.728 -2.910 2.632 575 HB2 GLN 76 2HB GLN 76 -10.390 -2.066 0.392 576 HB3 GLN 76 1HB GLN 76 -11.848 -1.334 1.054 577 HG2 GLN 76 2HG GLN 76 -10.287 0.616 1.722 578 HG3 GLN 76 1HG GLN 76 -9.176 -0.085 0.548 579 HE21 GLN 76 1HE2 GLN 76 -12.150 1.591 1.027 580 HE22 GLN 76 2HE2 GLN 76 -12.438 1.977 -0.633 581 H ILE 77 H ILE 77 -8.662 -3.655 1.915 582 HA ILE 77 HA ILE 77 -6.418 -2.364 3.254 583 HB ILE 77 HB ILE 77 -6.512 -4.963 1.698 584 HG12 ILE 77 2HG1 ILE 77 -7.900 -5.023 3.735 585 HG13 ILE 77 1HG1 ILE 77 -6.488 -6.062 3.893 586 HG21 ILE 77 1HG2 ILE 77 -4.344 -5.444 2.754 587 HG22 ILE 77 2HG2 ILE 77 -4.344 -3.838 3.481 588 HG23 ILE 77 3HG2 ILE 77 -4.266 -4.012 1.729 589 HD11 ILE 77 3HD1 ILE 77 -6.908 -4.856 5.945 590 HD12 ILE 77 1HD1 ILE 77 -6.815 -3.318 5.089 591 HD13 ILE 77 2HD1 ILE 77 -5.382 -4.336 5.233 592 H ILE 78 H ILE 78 -5.746 -0.596 2.091 593 HA ILE 78 HA ILE 78 -5.275 -0.903 -0.791 594 HB ILE 78 HB ILE 78 -4.769 1.531 -0.787 595 HG12 ILE 78 2HG1 ILE 78 -5.576 1.366 2.132 596 HG13 ILE 78 1HG1 ILE 78 -3.973 1.760 1.522 597 HG21 ILE 78 1HG2 ILE 78 -7.087 2.281 -0.406 598 HG22 ILE 78 2HG2 ILE 78 -7.434 0.756 0.410 599 HG23 ILE 78 3HG2 ILE 78 -7.015 0.764 -1.304 600 HD11 ILE 78 3HD1 ILE 78 -5.108 3.753 2.238 601 HD12 ILE 78 1HD1 ILE 78 -6.471 3.401 1.176 602 HD13 ILE 78 2HD1 ILE 78 -4.894 3.790 0.489 603 H GLY 79 H GLY 79 -3.575 -1.229 2.110 604 HA2 GLY 79 2HA GLY 79 -1.148 -1.704 0.585 605 HA3 GLY 79 1HA GLY 79 -1.031 -0.400 1.754 606 H THR 80 H THR 80 0.006 -3.345 1.403 607 HA THR 80 HA THR 80 -0.022 -3.825 4.316 608 HB THR 80 HB THR 80 -0.223 -5.984 2.187 609 HG1 THR 80 HG1 THR 80 -1.996 -5.071 4.226 610 HG21 THR 80 3HG2 THR 80 1.301 -6.695 3.961 611 HG22 THR 80 1HG2 THR 80 -0.220 -7.583 4.067 612 HG23 THR 80 2HG2 THR 80 0.107 -6.259 5.187 613 H SER 81 H SER 81 2.018 -3.721 5.094 614 HA SER 81 HA SER 81 4.272 -4.057 3.250 615 HG SER 81 HG SER 81 6.399 -2.301 5.151 616 HB2 SER 81 2HB SER 81 4.317 -2.095 4.721 617 HB3 SER 81 1HB SER 81 4.232 -3.137 6.140 618 H GLN 82 H GLN 82 6.289 -5.064 4.453 619 HA GLN 82 HA GLN 82 5.535 -7.801 5.142 620 HB2 GLN 82 2HB GLN 82 7.948 -8.281 4.891 621 HB3 GLN 82 1HB GLN 82 7.272 -7.511 3.462 622 HG2 GLN 82 2HG GLN 82 8.229 -5.376 4.132 623 HG3 GLN 82 1HG GLN 82 8.855 -6.103 5.610 624 HE21 GLN 82 1HE2 GLN 82 10.976 -5.576 5.086 625 HE22 GLN 82 2HE2 GLN 82 11.849 -6.392 3.845 626 H MET 83 H MET 83 6.527 -8.901 6.972 627 HA MET 83 HA MET 83 6.528 -7.271 9.346 628 HB2 MET 83 2HB MET 83 6.886 -9.444 10.537 629 HB3 MET 83 1HB MET 83 5.456 -9.395 9.522 630 HG2 MET 83 2HG MET 83 8.068 -10.676 8.735 631 HG3 MET 83 1HG MET 83 6.678 -11.533 9.400 632 HE1 MET 83 3HE MET 83 8.075 -12.346 6.677 633 HE2 MET 83 1HE MET 83 6.679 -12.634 5.639 634 HE3 MET 83 2HE MET 83 6.664 -13.190 7.312 635 H TYR 84 H TYR 84 8.234 -6.144 9.948 636 HA TYR 84 HA TYR 84 10.915 -6.848 9.076 637 HD1 TYR 84 HD2 TYR 84 11.842 -4.333 7.628 638 HD2 TYR 84 HD1 TYR 84 8.042 -3.875 9.499 639 HE1 TYR 84 HE2 TYR 84 11.008 -3.138 5.645 640 HE2 TYR 84 HE1 TYR 84 7.207 -2.678 7.525 641 HH TYR 84 HH TYR 84 8.823 -2.641 4.562 642 HB2 TYR 84 2HB TYR 84 9.985 -4.528 10.796 643 HB3 TYR 84 1HB TYR 84 11.567 -4.694 10.044 644 H SER 85 H SER 85 12.629 -6.203 10.953 645 HA SER 85 HA SER 85 11.934 -7.734 13.390 646 HG SER 85 HG SER 85 13.400 -8.905 10.994 647 HB2 SER 85 2HB SER 85 14.677 -7.411 12.124 648 HB3 SER 85 1HB SER 85 14.330 -8.294 13.610 649 H SER 86 H SER 86 13.964 -5.071 12.155 650 HA SER 86 HA SER 86 14.032 -3.840 14.816 651 HG SER 86 HG SER 86 16.053 -4.975 13.723 652 HB2 SER 86 2HB SER 86 15.399 -3.036 12.230 653 HB3 SER 86 1HB SER 86 15.602 -2.216 13.777 654 H THR 87 H THR 87 13.088 -1.863 15.307 655 HA THR 87 HA THR 87 10.682 -1.277 13.896 656 HB THR 87 HB THR 87 10.341 0.527 15.519 657 HG1 THR 87 HG1 THR 87 12.345 1.399 15.850 658 HG21 THR 87 3HG2 THR 87 11.466 -1.979 16.794 659 HG22 THR 87 1HG2 THR 87 9.814 -1.765 16.216 660 HG23 THR 87 2HG2 THR 87 10.401 -0.814 17.580 661 H ALA 88 H ALA 88 13.831 0.356 14.053 662 HA ALA 88 HA ALA 88 13.139 2.815 12.945 663 HB1 ALA 88 3HB ALA 88 15.314 2.394 13.939 664 HB2 ALA 88 1HB ALA 88 15.493 3.040 12.306 665 HB3 ALA 88 2HB ALA 88 15.736 1.317 12.607 666 H ALA 89 H ALA 89 14.259 -0.109 11.200 667 HA ALA 89 HA ALA 89 14.058 0.901 8.599 668 HB1 ALA 89 3HB ALA 89 13.886 -1.444 7.879 669 HB2 ALA 89 1HB ALA 89 13.585 -1.927 9.550 670 HB3 ALA 89 2HB ALA 89 15.138 -1.221 9.101 671 H ARG 90 H ARG 90 11.590 -0.554 10.671 672 HA ARG 90 HA ARG 90 9.474 -0.656 8.808 673 HE ARG 90 HE ARG 90 7.985 1.534 12.354 674 HB2 ARG 90 2HB ARG 90 9.547 -1.825 11.015 675 HB3 ARG 90 1HB ARG 90 9.322 -0.282 11.817 676 HG2 ARG 90 2HG ARG 90 7.309 -1.343 9.849 677 HG3 ARG 90 1HG ARG 90 7.295 -1.821 11.545 678 HD2 ARG 90 2HD ARG 90 6.910 0.935 10.389 679 HD3 ARG 90 1HD ARG 90 5.757 -0.022 11.318 680 HH11 ARG 90 1HH1 ARG 90 5.559 -0.833 13.032 681 HH12 ARG 90 2HH1 ARG 90 5.613 -0.545 14.734 682 HH21 ARG 90 1HH2 ARG 90 8.043 1.881 14.509 683 HH22 ARG 90 2HH2 ARG 90 7.021 0.960 15.565 684 H ASP 91 H ASP 91 10.338 1.860 11.206 685 HA ASP 91 HA ASP 91 8.309 3.686 10.472 686 HB2 ASP 91 2HB ASP 91 10.942 4.013 11.906 687 HB3 ASP 91 1HB ASP 91 9.887 5.389 11.585 688 H ASN 92 H ASN 92 11.698 3.397 9.374 689 HA ASN 92 HA ASN 92 11.707 5.575 7.613 690 HB2 ASN 92 2HB ASN 92 13.217 2.963 7.579 691 HB3 ASN 92 1HB ASN 92 13.438 4.168 6.312 692 HD21 ASN 92 1HD2 ASN 92 15.371 3.208 8.245 693 HD22 ASN 92 2HD2 ASN 92 15.890 4.592 9.143 694 H GLY 93 H GLY 93 10.477 2.293 7.194 695 HA2 GLY 93 2HA GLY 93 9.696 2.471 4.498 696 HA3 GLY 93 1HA GLY 93 8.904 1.487 5.723 697 H ILE 94 H ILE 94 7.768 3.172 7.432 698 HA ILE 94 HA ILE 94 5.463 4.149 6.212 699 HB ILE 94 HB ILE 94 6.674 5.064 8.834 700 HG12 ILE 94 2HG1 ILE 94 4.642 2.889 8.243 701 HG13 ILE 94 1HG1 ILE 94 6.312 2.629 8.736 702 HG21 ILE 94 1HG2 ILE 94 4.391 5.732 9.449 703 HG22 ILE 94 2HG2 ILE 94 3.831 5.301 7.832 704 HG23 ILE 94 3HG2 ILE 94 4.972 6.629 8.045 705 HD11 ILE 94 3HD1 ILE 94 4.806 2.306 10.593 706 HD12 ILE 94 1HD1 ILE 94 4.152 3.928 10.380 707 HD13 ILE 94 2HD1 ILE 94 5.830 3.713 10.879 708 H LYS 95 H LYS 95 8.337 5.974 7.245 709 HA LYS 95 HA LYS 95 7.619 8.531 6.443 710 HB2 LYS 95 2HB LYS 95 10.318 7.159 6.405 711 HB3 LYS 95 1HB LYS 95 10.100 8.888 6.155 712 HG2 LYS 95 2HG LYS 95 9.415 9.251 8.359 713 HG3 LYS 95 1HG LYS 95 9.044 7.547 8.625 714 HD2 LYS 95 2HD LYS 95 11.106 8.305 9.782 715 HD3 LYS 95 1HD LYS 95 11.386 6.981 8.654 716 HE2 LYS 95 2HE LYS 95 12.235 8.563 6.995 717 HE3 LYS 95 1HE LYS 95 11.909 9.904 8.094 718 HZ1 LYS 95 3HZ LYS 95 13.820 7.684 8.590 719 HZ2 LYS 95 1HZ LYS 95 13.507 8.966 9.646 720 HZ3 LYS 95 2HZ LYS 95 14.231 9.265 8.150 721 H SER 96 H SER 96 9.227 5.996 4.522 722 HA SER 96 HA SER 96 9.375 7.376 2.084 723 HG SER 96 HG SER 96 10.918 5.020 3.498 724 HB2 SER 96 2HB SER 96 9.034 4.396 2.544 725 HB3 SER 96 1HB SER 96 9.544 5.140 1.029 726 H VAL 97 H VAL 97 6.705 5.668 3.604 727 HA VAL 97 HA VAL 97 5.012 5.616 1.296 728 HB VAL 97 HB VAL 97 4.093 5.529 4.170 729 HG11 VAL 97 1HG1 VAL 97 2.887 4.437 1.625 730 HG12 VAL 97 2HG1 VAL 97 2.299 5.813 2.556 731 HG13 VAL 97 3HG1 VAL 97 2.236 4.192 3.247 732 HG21 VAL 97 3HG2 VAL 97 4.925 3.185 2.482 733 HG22 VAL 97 1HG2 VAL 97 4.334 3.141 4.138 734 HG23 VAL 97 2HG2 VAL 97 5.890 3.883 3.779 735 H MET 98 H MET 98 4.941 7.654 4.256 736 HA MET 98 HA MET 98 2.777 9.243 3.531 737 HB2 MET 98 2HB MET 98 3.486 10.809 5.218 738 HB3 MET 98 1HB MET 98 3.805 9.181 5.795 739 HG2 MET 98 2HG MET 98 6.161 9.419 5.263 740 HG3 MET 98 1HG MET 98 5.865 11.025 4.598 741 HE1 MET 98 3HE MET 98 8.124 10.615 6.728 742 HE2 MET 98 1HE MET 98 7.813 11.956 7.831 743 HE3 MET 98 2HE MET 98 7.671 12.193 6.090 744 H GLU 99 H GLU 99 6.180 9.586 2.637 745 HA GLU 99 HA GLU 99 5.751 12.173 1.397 746 HB2 GLU 99 2HB GLU 99 7.980 10.815 2.398 747 HB3 GLU 99 1HB GLU 99 8.249 10.846 0.663 748 HG2 GLU 99 2HG GLU 99 7.751 13.242 2.430 749 HG3 GLU 99 1HG GLU 99 9.301 12.747 1.754 750 H ASN 100 H ASN 100 6.082 8.817 0.295 751 HA ASN 100 HA ASN 100 5.972 9.692 -2.511 752 HB2 ASN 100 2HB ASN 100 6.523 6.969 -1.312 753 HB3 ASN 100 1HB ASN 100 6.527 7.330 -3.037 754 HD21 ASN 100 1HD2 ASN 100 8.666 6.419 -1.195 755 HD22 ASN 100 2HD2 ASN 100 9.949 7.557 -1.399 756 H GLY 101 H GLY 101 3.790 8.844 -0.172 757 HA2 GLY 101 2HA GLY 101 2.013 7.286 -1.906 758 HA3 GLY 101 1HA GLY 101 1.796 7.581 -0.190 759 H LYS 102 H LYS 102 2.589 10.365 -1.969 760 HA LYS 102 HA LYS 102 -0.241 11.085 -2.341 761 HB2 LYS 102 2HB LYS 102 0.339 13.407 -1.585 762 HB3 LYS 102 1HB LYS 102 0.409 12.187 -0.323 763 HG2 LYS 102 2HG LYS 102 2.899 12.090 -0.697 764 HG3 LYS 102 1HG LYS 102 2.720 13.508 -1.734 765 HD2 LYS 102 2HD LYS 102 1.764 14.767 0.138 766 HD3 LYS 102 1HD LYS 102 1.882 13.341 1.169 767 HE2 LYS 102 2HE LYS 102 3.726 14.761 1.687 768 HE3 LYS 102 1HE LYS 102 4.357 13.376 0.799 769 HZ1 LYS 102 3HZ LYS 102 4.238 14.834 -1.228 770 HZ2 LYS 102 1HZ LYS 102 5.395 15.277 -0.077 771 HZ3 LYS 102 2HZ LYS 102 3.942 16.136 -0.192 772 H THR 103 H THR 103 1.754 10.099 -4.208 773 HA THR 103 HA THR 103 2.132 12.417 -5.994 774 HB THR 103 HB THR 103 4.170 11.140 -5.700 775 HG1 THR 103 HG1 THR 103 4.605 10.764 -7.879 776 HG21 THR 103 3HG2 THR 103 2.610 8.745 -6.691 777 HG22 THR 103 1HG2 THR 103 3.203 8.984 -5.048 778 HG23 THR 103 2HG2 THR 103 4.345 8.784 -6.377 779 H THR 104 H THR 104 1.678 12.088 -8.312 780 HA THR 104 HA THR 104 -0.847 10.599 -8.657 781 HB THR 104 HB THR 104 -1.188 12.052 -10.663 782 HG1 THR 104 HG1 THR 104 0.261 13.565 -11.201 783 HG21 THR 104 3HG2 THR 104 -1.688 14.112 -9.413 784 HG22 THR 104 1HG2 THR 104 -0.711 13.528 -8.067 785 HG23 THR 104 2HG2 THR 104 -2.187 12.675 -8.520 786 H THR 105 H THR 105 2.317 10.037 -9.217 787 HA THR 105 HA THR 105 2.278 9.179 -11.959 788 HB THR 105 HB THR 105 4.269 8.480 -9.781 789 HG1 THR 105 HG1 THR 105 5.190 10.353 -10.209 790 HG21 THR 105 3HG2 THR 105 4.485 8.291 -12.795 791 HG22 THR 105 1HG2 THR 105 4.415 6.935 -11.668 792 HG23 THR 105 2HG2 THR 105 5.806 8.020 -11.658 793 H ILE 106 H ILE 106 0.936 7.552 -12.512 794 HA ILE 106 HA ILE 106 0.953 5.089 -10.871 795 HB ILE 106 HB ILE 106 -1.325 6.161 -12.557 796 HG12 ILE 106 2HG1 ILE 106 -1.059 5.993 -9.537 797 HG13 ILE 106 1HG1 ILE 106 -0.951 7.470 -10.487 798 HG21 ILE 106 1HG2 ILE 106 -2.649 4.337 -11.563 799 HG22 ILE 106 2HG2 ILE 106 -1.197 3.727 -10.767 800 HG23 ILE 106 3HG2 ILE 106 -1.304 3.728 -12.528 801 HD11 ILE 106 3HD1 ILE 106 -3.381 5.707 -10.252 802 HD12 ILE 106 1HD1 ILE 106 -3.268 7.201 -11.184 803 HD13 ILE 106 2HD1 ILE 106 -3.123 7.243 -9.427 804 H LYS 107 H LYS 107 1.560 3.251 -11.863 805 HA LYS 107 HA LYS 107 1.873 3.216 -14.787 806 HB2 LYS 107 2HB LYS 107 3.026 1.393 -12.659 807 HB3 LYS 107 1HB LYS 107 3.313 1.226 -14.386 808 HG2 LYS 107 2HG LYS 107 4.426 3.403 -14.425 809 HG3 LYS 107 1HG LYS 107 4.111 3.605 -12.699 810 HD2 LYS 107 2HD LYS 107 5.488 1.640 -12.210 811 HD3 LYS 107 1HD LYS 107 5.777 1.402 -13.934 812 HE2 LYS 107 2HE LYS 107 6.597 3.850 -12.360 813 HE3 LYS 107 1HE LYS 107 7.664 2.509 -12.770 814 HZ1 LYS 107 3HZ LYS 107 7.344 2.986 -15.100 815 HZ2 LYS 107 1HZ LYS 107 7.898 4.373 -14.303 816 HZ3 LYS 107 2HZ LYS 107 6.271 4.240 -14.737 817 H ASP 108 H ASP 108 0.029 2.506 -15.739 818 HA ASP 108 HA ASP 108 -1.603 0.446 -14.503 819 HB2 ASP 108 2HB ASP 108 -2.556 2.445 -15.738 820 HB3 ASP 108 1HB ASP 108 -1.978 1.709 -17.230 821 H LEU 109 H LEU 109 -1.074 -1.624 -14.725 822 HA LEU 109 HA LEU 109 0.249 -2.551 -17.194 823 HG LEU 109 HG LEU 109 1.571 -1.863 -14.364 824 HB2 LEU 109 2HB LEU 109 0.154 -3.881 -14.477 825 HB3 LEU 109 1HB LEU 109 1.065 -4.438 -15.869 826 HD11 LEU 109 1HD1 LEU 109 2.175 -3.821 -13.050 827 HD12 LEU 109 2HD1 LEU 109 3.616 -2.961 -13.588 828 HD13 LEU 109 3HD1 LEU 109 3.126 -4.451 -14.396 829 HD21 LEU 109 3HD2 LEU 109 2.146 -1.681 -16.736 830 HD22 LEU 109 1HD2 LEU 109 3.122 -3.146 -16.617 831 HD23 LEU 109 2HD2 LEU 109 3.593 -1.695 -15.729 832 H THR 110 H THR 110 -2.759 -2.227 -16.402 833 HA THR 110 HA THR 110 -3.630 -5.018 -16.788 834 HB THR 110 HB THR 110 -5.815 -4.384 -16.050 835 HG1 THR 110 HG1 THR 110 -4.859 -1.698 -16.228 836 HG21 THR 110 3HG2 THR 110 -4.178 -4.720 -14.263 837 HG22 THR 110 1HG2 THR 110 -5.369 -3.501 -13.803 838 HG23 THR 110 2HG2 THR 110 -3.755 -3.008 -14.318 839 H LEU 111 H LEU 111 -3.301 -2.084 -18.528 840 HA LEU 111 HA LEU 111 -5.374 -2.441 -20.438 841 HG LEU 111 HG LEU 111 -4.167 0.042 -18.945 842 HB2 LEU 111 2HB LEU 111 -2.748 -0.964 -20.682 843 HB3 LEU 111 1HB LEU 111 -4.064 -0.854 -21.835 844 HD11 LEU 111 1HD1 LEU 111 -2.789 1.487 -20.368 845 HD12 LEU 111 2HD1 LEU 111 -4.268 2.294 -19.846 846 HD13 LEU 111 3HD1 LEU 111 -4.141 1.664 -21.489 847 HD21 LEU 111 3HD2 LEU 111 -6.360 0.953 -19.488 848 HD22 LEU 111 1HD2 LEU 111 -6.334 -0.794 -19.726 849 HD23 LEU 111 2HD2 LEU 111 -6.250 0.288 -21.120 850 H GLU 112 H GLU 112 -2.515 -4.202 -19.970 851 HA GLU 112 HA GLU 112 -2.089 -4.949 -22.726 852 HB2 GLU 112 2HB GLU 112 -0.887 -5.764 -20.101 853 HB3 GLU 112 1HB GLU 112 -0.599 -6.748 -21.530 854 HG2 GLU 112 2HG GLU 112 0.029 -3.805 -21.306 855 HG3 GLU 112 1HG GLU 112 1.196 -5.113 -21.105 856 H HIS 113 H HIS 113 -2.472 -6.963 -23.674 857 HA HIS 113 HA HIS 113 -4.772 -8.384 -22.504 858 HD1 HIS 113 HD1 HIS 113 -3.072 -9.557 -26.441 859 HD2 HIS 113 HD2 HIS 113 -3.838 -5.531 -25.762 860 HE1 HIS 113 HE1 HIS 113 -1.658 -8.314 -28.098 861 HE2 HIS 113 HE2 HIS 113 -1.982 -5.888 -27.524 862 HB2 HIS 113 2HB HIS 113 -5.168 -9.084 -24.946 863 HB3 HIS 113 1HB HIS 113 -5.480 -7.406 -24.522 864 H HIS 114 H HIS 114 -4.656 -10.454 -22.001 865 HA HIS 114 HA HIS 114 -3.929 -12.563 -21.669 866 HD1 HIS 114 HD1 HIS 114 -1.122 -14.284 -24.657 867 HD2 HIS 114 HD2 HIS 114 -4.543 -15.206 -22.481 868 HE1 HIS 114 HE1 HIS 114 -0.984 -16.746 -24.194 869 HE2 HIS 114 HE2 HIS 114 -3.050 -17.284 -22.872 870 HB2 HIS 114 2HB HIS 114 -4.299 -12.705 -24.125 871 HB3 HIS 114 1HB HIS 114 -2.603 -12.303 -24.377 872 H HIS 115 H HIS 115 -2.575 -12.615 -19.987 873 HA HIS 115 HA HIS 115 0.247 -12.840 -20.405 874 HD1 HIS 115 HD1 HIS 115 -1.017 -10.561 -16.916 875 HD2 HIS 115 HD2 HIS 115 -1.918 -8.857 -20.593 876 HE1 HIS 115 HE1 HIS 115 -2.855 -8.916 -16.457 877 HE2 HIS 115 HE2 HIS 115 -3.503 -8.037 -18.723 878 HB2 HIS 115 2HB HIS 115 0.820 -10.905 -18.834 879 HB3 HIS 115 1HB HIS 115 0.306 -10.471 -20.460 880 H HIS 116 H HIS 116 0.348 -14.714 -19.255 881 HA HIS 116 HA HIS 116 -1.031 -15.293 -16.885 882 HD1 HIS 116 HD1 HIS 116 3.143 -16.831 -16.348 883 HD2 HIS 116 HD2 HIS 116 1.752 -16.257 -20.216 884 HE1 HIS 116 HE1 HIS 116 5.189 -16.762 -17.791 885 HE2 HIS 116 HE2 HIS 116 4.314 -16.570 -20.145 886 HB2 HIS 116 2HB HIS 116 0.638 -17.115 -16.555 887 HB3 HIS 116 1HB HIS 116 -0.059 -17.084 -18.168 888 H HIS 117 H HIS 117 -0.958 -13.984 -15.174 889 HA HIS 117 HA HIS 117 1.605 -13.512 -13.826 890 HD1 HIS 117 HD1 HIS 117 -0.782 -10.304 -12.315 891 HD2 HIS 117 HD2 HIS 117 3.250 -10.642 -13.264 892 HE1 HIS 117 HE1 HIS 117 0.425 -8.899 -10.623 893 HE2 HIS 117 HE2 HIS 117 2.862 -9.174 -11.167 894 HB2 HIS 117 2HB HIS 117 1.317 -11.505 -15.143 895 HB3 HIS 117 1HB HIS 117 -0.355 -11.341 -14.622 896 H HIS 118 H HIS 118 1.323 -14.347 -11.842 897 HA HIS 118 HA HIS 118 -1.208 -14.808 -10.637 898 HD1 HIS 118 HD1 HIS 118 2.678 -16.690 -10.866 899 HD2 HIS 118 HD2 HIS 118 -1.260 -17.620 -9.950 900 HE1 HIS 118 HE1 HIS 118 2.323 -19.020 -11.723 901 HE2 HIS 118 HE2 HIS 118 -0.120 -19.477 -11.330 902 HB2 HIS 118 2HB HIS 118 1.588 -14.918 -9.492 903 HB3 HIS 118 1HB HIS 118 0.149 -15.412 -8.604 Start of MODEL 15 1 HA MET 1 HA MET 1 11.676 11.736 -8.829 2 H1 MET 1 1H MET 1 12.814 13.690 -6.907 3 H2 MET 1 2H MET 1 11.652 14.024 -8.091 4 H3 MET 1 3H MET 1 13.213 13.562 -8.547 5 HB2 MET 1 2HB MET 1 13.586 11.319 -6.512 6 HB3 MET 1 1HB MET 1 12.897 10.042 -7.505 7 HG2 MET 1 2HG MET 1 14.048 10.982 -9.469 8 HG3 MET 1 1HG MET 1 14.776 12.208 -8.435 9 HE1 MET 1 3HE MET 1 15.351 10.458 -5.769 10 HE2 MET 1 1HE MET 1 16.469 11.641 -6.451 11 HE3 MET 1 2HE MET 1 17.030 10.012 -6.074 12 H SER 2 H SER 2 10.668 9.858 -7.477 13 HA SER 2 HA SER 2 9.607 10.396 -4.896 14 HG SER 2 HG SER 2 7.036 9.770 -7.426 15 HB2 SER 2 2HB SER 2 7.254 10.764 -5.433 16 HB3 SER 2 1HB SER 2 8.226 12.029 -6.181 17 H GLY 3 H GLY 3 7.445 8.897 -4.668 18 HA2 GLY 3 2HA GLY 3 8.199 6.243 -5.619 19 HA3 GLY 3 1HA GLY 3 6.932 6.619 -4.459 20 H TRP 4 H TRP 4 6.090 4.829 -6.131 21 HA TRP 4 HA TRP 4 4.069 6.185 -7.670 22 HD1 TRP 4 HD1 TRP 4 5.058 2.537 -10.006 23 HE1 TRP 4 HE1 TRP 4 7.234 1.160 -10.039 24 HE3 TRP 4 HE3 TRP 4 8.304 6.108 -8.305 25 HZ2 TRP 4 HZ2 TRP 4 9.960 1.541 -9.420 26 HZ3 TRP 4 HZ3 TRP 4 10.678 5.516 -8.053 27 HH2 TRP 4 HH2 TRP 4 11.487 3.282 -8.599 28 HB2 TRP 4 2HB TRP 4 4.592 5.159 -9.836 29 HB3 TRP 4 1HB TRP 4 5.913 6.190 -9.297 30 H TYR 5 H TYR 5 2.432 4.724 -8.528 31 HA TYR 5 HA TYR 5 2.300 2.186 -7.018 32 HD1 TYR 5 HD1 TYR 5 0.874 5.851 -7.013 33 HD2 TYR 5 HD2 TYR 5 -0.243 2.251 -5.027 34 HE1 TYR 5 HE1 TYR 5 0.648 7.090 -4.902 35 HE2 TYR 5 HE2 TYR 5 -0.473 3.486 -2.914 36 HH TYR 5 HH TYR 5 -0.365 6.946 -2.780 37 HB2 TYR 5 2HB TYR 5 0.084 3.836 -8.270 38 HB3 TYR 5 1HB TYR 5 -0.153 2.317 -7.414 39 H GLU 6 H GLU 6 2.529 0.330 -8.133 40 HA GLU 6 HA GLU 6 2.095 0.355 -11.044 41 HB2 GLU 6 2HB GLU 6 3.619 -1.555 -9.267 42 HB3 GLU 6 1HB GLU 6 3.295 -1.876 -10.966 43 HG2 GLU 6 2HG GLU 6 4.501 0.177 -11.572 44 HG3 GLU 6 1HG GLU 6 4.849 0.462 -9.869 45 H LEU 7 H LEU 7 0.068 -0.109 -11.534 46 HA LEU 7 HA LEU 7 -1.478 -2.071 -10.024 47 HG LEU 7 HG LEU 7 -3.684 -2.335 -12.128 48 HB2 LEU 7 2HB LEU 7 -2.538 0.038 -10.653 49 HB3 LEU 7 1HB LEU 7 -2.202 -0.271 -12.346 50 HD11 LEU 7 1HD1 LEU 7 -3.659 -2.492 -9.690 51 HD12 LEU 7 2HD1 LEU 7 -5.301 -2.359 -10.315 52 HD13 LEU 7 3HD1 LEU 7 -4.523 -0.958 -9.579 53 HD21 LEU 7 3HD2 LEU 7 -4.943 0.381 -11.740 54 HD22 LEU 7 1HD2 LEU 7 -5.746 -1.050 -12.389 55 HD23 LEU 7 2HD2 LEU 7 -4.411 -0.312 -13.274 56 H SER 8 H SER 8 -1.303 -4.189 -10.593 57 HA SER 8 HA SER 8 -1.265 -4.822 -13.476 58 HG SER 8 HG SER 8 0.275 -5.755 -10.407 59 HB2 SER 8 2HB SER 8 0.302 -6.673 -13.096 60 HB3 SER 8 1HB SER 8 1.019 -5.147 -12.584 61 H LYS 9 H LYS 9 -2.144 -6.899 -14.045 62 HA LYS 9 HA LYS 9 -4.248 -7.729 -12.166 63 HB2 LYS 9 2HB LYS 9 -4.947 -6.921 -14.416 64 HB3 LYS 9 1HB LYS 9 -4.047 -8.245 -15.149 65 HG2 LYS 9 2HG LYS 9 -5.490 -9.849 -13.936 66 HG3 LYS 9 1HG LYS 9 -6.422 -8.492 -13.304 67 HD2 LYS 9 2HD LYS 9 -7.563 -9.464 -15.208 68 HD3 LYS 9 1HD LYS 9 -7.003 -7.840 -15.612 69 HE2 LYS 9 2HE LYS 9 -5.216 -8.688 -16.925 70 HE3 LYS 9 1HE LYS 9 -5.440 -10.322 -16.305 71 HZ1 LYS 9 3HZ LYS 9 -7.531 -10.468 -17.455 72 HZ2 LYS 9 1HZ LYS 9 -6.323 -10.031 -18.557 73 HZ3 LYS 9 2HZ LYS 9 -7.405 -8.866 -17.987 74 H SER 10 H SER 10 -4.169 -9.667 -11.207 75 HA SER 10 HA SER 10 -1.982 -11.469 -11.715 76 HG SER 10 HG SER 10 -3.516 -13.515 -9.125 77 HB2 SER 10 2HB SER 10 -2.732 -11.141 -9.425 78 HB3 SER 10 1HB SER 10 -4.355 -11.693 -9.841 79 H SER 11 H SER 11 -2.582 -13.942 -11.678 80 HA SER 11 HA SER 11 -3.583 -14.577 -14.221 81 HG SER 11 HG SER 11 -1.368 -16.482 -13.795 82 HB2 SER 11 2HB SER 11 -3.291 -16.439 -11.845 83 HB3 SER 11 1HB SER 11 -3.409 -16.925 -13.535 84 H ASN 12 H ASN 12 -5.216 -14.399 -11.132 85 HA ASN 12 HA ASN 12 -7.628 -15.707 -12.075 86 HB2 ASN 12 2HB ASN 12 -8.515 -15.119 -9.819 87 HB3 ASN 12 1HB ASN 12 -7.009 -16.023 -9.760 88 HD21 ASN 12 1HD2 ASN 12 -8.097 -14.392 -7.700 89 HD22 ASN 12 2HD2 ASN 12 -6.960 -13.127 -7.405 90 H ASP 13 H ASP 13 -6.503 -12.999 -13.109 91 HA ASP 13 HA ASP 13 -7.331 -11.152 -14.098 92 HB2 ASP 13 2HB ASP 13 -9.953 -12.577 -13.662 93 HB3 ASP 13 1HB ASP 13 -9.798 -11.085 -14.586 94 H GLN 14 H GLN 14 -7.346 -11.459 -10.977 95 HA GLN 14 HA GLN 14 -9.010 -9.136 -10.364 96 HB2 GLN 14 2HB GLN 14 -7.272 -10.806 -8.532 97 HB3 GLN 14 1HB GLN 14 -8.319 -9.488 -8.022 98 HG2 GLN 14 2HG GLN 14 -10.149 -10.955 -9.268 99 HG3 GLN 14 1HG GLN 14 -9.012 -12.245 -8.889 100 HE21 GLN 14 1HE2 GLN 14 -8.639 -12.764 -6.715 101 HE22 GLN 14 2HE2 GLN 14 -9.702 -12.248 -5.461 102 H PHE 15 H PHE 15 -8.220 -7.156 -9.729 103 HA PHE 15 HA PHE 15 -5.541 -6.584 -10.768 104 HD1 PHE 15 HD2 PHE 15 -9.421 -6.259 -11.248 105 HD2 PHE 15 HD1 PHE 15 -6.069 -4.540 -13.233 106 HE1 PHE 15 HE2 PHE 15 -10.449 -6.772 -13.423 107 HE2 PHE 15 HE1 PHE 15 -7.092 -5.050 -15.409 108 HZ PHE 15 HZ PHE 15 -9.286 -6.168 -15.507 109 HB2 PHE 15 2HB PHE 15 -7.817 -4.702 -10.090 110 HB3 PHE 15 1HB PHE 15 -6.317 -4.259 -10.901 111 H LYS 16 H LYS 16 -3.910 -5.785 -9.554 112 HA LYS 16 HA LYS 16 -4.459 -4.850 -6.814 113 HB2 LYS 16 2HB LYS 16 -2.495 -6.071 -5.979 114 HB3 LYS 16 1HB LYS 16 -3.695 -7.178 -6.636 115 HG2 LYS 16 2HG LYS 16 -2.412 -7.574 -8.586 116 HG3 LYS 16 1HG LYS 16 -1.334 -6.220 -8.241 117 HD2 LYS 16 2HD LYS 16 -0.524 -7.417 -6.231 118 HD3 LYS 16 1HD LYS 16 -1.559 -8.784 -6.649 119 HE2 LYS 16 2HE LYS 16 -0.334 -9.159 -8.687 120 HE3 LYS 16 1HE LYS 16 0.597 -7.679 -8.452 121 HZ1 LYS 16 3HZ LYS 16 1.861 -9.637 -7.838 122 HZ2 LYS 16 1HZ LYS 16 0.694 -10.071 -6.695 123 HZ3 LYS 16 2HZ LYS 16 1.597 -8.657 -6.488 124 H PHE 17 H PHE 17 -2.737 -3.486 -5.928 125 HA PHE 17 HA PHE 17 -0.862 -2.444 -7.940 126 HD1 PHE 17 HD2 PHE 17 -4.586 -1.440 -6.300 127 HD2 PHE 17 HD1 PHE 17 -1.069 0.550 -4.938 128 HE1 PHE 17 HE2 PHE 17 -5.759 -0.768 -4.244 129 HE2 PHE 17 HE1 PHE 17 -2.244 1.224 -2.885 130 HZ PHE 17 HZ PHE 17 -4.590 0.565 -2.535 131 HB2 PHE 17 2HB PHE 17 -1.278 -0.140 -7.237 132 HB3 PHE 17 1HB PHE 17 -2.754 -0.882 -7.839 133 H VAL 18 H VAL 18 1.136 -1.842 -7.209 134 HA VAL 18 HA VAL 18 1.669 -2.166 -4.318 135 HB VAL 18 HB VAL 18 3.927 -2.999 -4.894 136 HG11 VAL 18 1HG1 VAL 18 2.180 -4.613 -4.421 137 HG12 VAL 18 2HG1 VAL 18 3.241 -5.235 -5.686 138 HG13 VAL 18 3HG1 VAL 18 1.657 -4.582 -6.105 139 HG21 VAL 18 3HG2 VAL 18 2.914 -2.997 -7.744 140 HG22 VAL 18 1HG2 VAL 18 4.430 -3.714 -7.195 141 HG23 VAL 18 2HG2 VAL 18 4.191 -1.970 -7.092 142 H LEU 19 H LEU 19 2.656 -0.504 -3.325 143 HA LEU 19 HA LEU 19 3.409 1.830 -4.915 144 HG LEU 19 HG LEU 19 4.640 3.275 -2.241 145 HB2 LEU 19 2HB LEU 19 1.923 2.199 -3.040 146 HB3 LEU 19 1HB LEU 19 3.055 1.433 -1.943 147 HD11 LEU 19 1HD1 LEU 19 3.997 5.292 -3.487 148 HD12 LEU 19 2HD1 LEU 19 2.551 4.466 -4.069 149 HD13 LEU 19 3HD1 LEU 19 4.148 3.885 -4.537 150 HD21 LEU 19 3HD2 LEU 19 2.965 3.430 -0.471 151 HD22 LEU 19 1HD2 LEU 19 1.849 4.227 -1.581 152 HD23 LEU 19 2HD2 LEU 19 3.353 5.023 -1.116 153 H LYS 20 H LYS 20 5.440 1.924 -5.614 154 HA LYS 20 HA LYS 20 7.614 0.792 -3.980 155 HB2 LYS 20 2HB LYS 20 7.544 1.594 -6.898 156 HB3 LYS 20 1HB LYS 20 8.960 0.961 -6.069 157 HG2 LYS 20 2HG LYS 20 7.752 -1.139 -5.633 158 HG3 LYS 20 1HG LYS 20 6.355 -0.499 -6.503 159 HD2 LYS 20 2HD LYS 20 7.668 -0.341 -8.547 160 HD3 LYS 20 1HD LYS 20 9.110 -0.889 -7.689 161 HE2 LYS 20 2HE LYS 20 8.071 -3.049 -7.277 162 HE3 LYS 20 1HE LYS 20 6.577 -2.502 -8.039 163 HZ1 LYS 20 3HZ LYS 20 7.742 -2.279 -10.128 164 HZ2 LYS 20 1HZ LYS 20 7.926 -3.851 -9.530 165 HZ3 LYS 20 2HZ LYS 20 9.201 -2.751 -9.405 166 H ALA 21 H ALA 21 9.234 2.025 -3.169 167 HA ALA 21 HA ALA 21 9.000 4.945 -3.481 168 HB1 ALA 21 3HB ALA 21 8.831 4.064 -1.198 169 HB2 ALA 21 1HB ALA 21 10.249 5.096 -1.388 170 HB3 ALA 21 2HB ALA 21 10.434 3.342 -1.358 171 H GLY 22 H GLY 22 10.429 5.946 -4.777 172 HA2 GLY 22 2HA GLY 22 12.372 6.534 -5.847 173 HA3 GLY 22 1HA GLY 22 13.149 6.016 -4.367 174 H ASN 23 H ASN 23 13.824 3.738 -4.232 175 HA ASN 23 HA ASN 23 15.259 3.069 -6.638 176 HB2 ASN 23 2HB ASN 23 16.334 1.343 -5.278 177 HB3 ASN 23 1HB ASN 23 16.303 2.879 -4.417 178 HD21 ASN 23 1HD2 ASN 23 16.579 0.230 -3.316 179 HD22 ASN 23 2HD2 ASN 23 15.253 0.009 -2.230 180 H GLY 24 H GLY 24 12.195 2.281 -5.574 181 HA2 GLY 24 2HA GLY 24 10.716 1.006 -6.946 182 HA3 GLY 24 1HA GLY 24 12.076 0.028 -7.468 183 H GLU 25 H GLU 25 12.093 0.562 -4.117 184 HA GLU 25 HA GLU 25 11.353 -2.171 -3.557 185 HB2 GLU 25 2HB GLU 25 13.172 -1.128 -2.310 186 HB3 GLU 25 1HB GLU 25 12.087 0.120 -1.717 187 HG2 GLU 25 2HG GLU 25 10.858 -1.489 -0.411 188 HG3 GLU 25 1HG GLU 25 11.788 -2.817 -1.102 189 H VAL 26 H VAL 26 9.419 -2.913 -2.899 190 HA VAL 26 HA VAL 26 7.152 -1.142 -2.974 191 HB VAL 26 HB VAL 26 7.217 -4.091 -2.291 192 HG11 VAL 26 1HG1 VAL 26 4.941 -2.301 -3.157 193 HG12 VAL 26 2HG1 VAL 26 5.159 -3.030 -1.566 194 HG13 VAL 26 3HG1 VAL 26 4.844 -4.054 -2.966 195 HG21 VAL 26 3HG2 VAL 26 8.183 -3.694 -4.499 196 HG22 VAL 26 1HG2 VAL 26 6.769 -2.748 -4.965 197 HG23 VAL 26 2HG2 VAL 26 6.608 -4.474 -4.639 198 H ILE 27 H ILE 27 6.836 0.148 -1.231 199 HA ILE 27 HA ILE 27 7.339 -0.789 1.463 200 HB ILE 27 HB ILE 27 6.379 1.464 2.133 201 HG12 ILE 27 2HG1 ILE 27 6.424 1.893 -0.869 202 HG13 ILE 27 1HG1 ILE 27 5.000 1.905 0.165 203 HG21 ILE 27 1HG2 ILE 27 8.772 1.069 1.971 204 HG22 ILE 27 2HG2 ILE 27 8.371 2.702 1.436 205 HG23 ILE 27 3HG2 ILE 27 8.737 1.448 0.248 206 HD11 ILE 27 3HD1 ILE 27 5.652 4.156 -0.428 207 HD12 ILE 27 1HD1 ILE 27 7.264 3.891 0.233 208 HD13 ILE 27 2HD1 ILE 27 5.863 3.900 1.304 209 H LEU 28 H LEU 28 4.457 0.009 -0.476 210 HA LEU 28 HA LEU 28 2.816 -1.410 1.533 211 HG LEU 28 HG LEU 28 1.251 1.851 2.309 212 HB2 LEU 28 2HB LEU 28 2.293 1.210 0.172 213 HB3 LEU 28 1HB LEU 28 0.935 0.189 0.600 214 HD11 LEU 28 1HD1 LEU 28 2.193 -0.834 3.305 215 HD12 LEU 28 2HD1 LEU 28 0.517 -0.344 3.059 216 HD13 LEU 28 3HD1 LEU 28 1.497 0.455 4.287 217 HD21 LEU 28 3HD2 LEU 28 3.271 2.087 3.607 218 HD22 LEU 28 1HD2 LEU 28 3.632 2.323 1.898 219 HD23 LEU 28 2HD2 LEU 28 4.054 0.803 2.688 220 H THR 29 H THR 29 1.363 -2.869 0.802 221 HA THR 29 HA THR 29 0.684 -2.980 -2.065 222 HB THR 29 HB THR 29 1.416 -5.394 -0.365 223 HG1 THR 29 HG1 THR 29 3.211 -4.149 -1.212 224 HG21 THR 29 3HG2 THR 29 -0.411 -5.909 -1.921 225 HG22 THR 29 1HG2 THR 29 1.084 -6.706 -2.416 226 HG23 THR 29 2HG2 THR 29 0.539 -5.256 -3.258 227 H SER 30 H SER 30 -1.465 -3.703 -2.489 228 HA SER 30 HA SER 30 -3.176 -3.858 -0.081 229 HG SER 30 HG SER 30 -5.783 -2.165 -1.459 230 HB2 SER 30 2HB SER 30 -3.629 -1.933 -1.576 231 HB3 SER 30 1HB SER 30 -3.978 -3.050 -2.894 232 H GLU 31 H GLU 31 -5.493 -4.826 -1.166 233 HA GLU 31 HA GLU 31 -4.955 -7.654 -1.369 234 HB2 GLU 31 2HB GLU 31 -7.483 -6.005 -1.292 235 HB3 GLU 31 1HB GLU 31 -7.507 -7.750 -1.497 236 HG2 GLU 31 2HG GLU 31 -6.221 -6.372 0.846 237 HG3 GLU 31 1HG GLU 31 -7.893 -6.924 0.829 238 H LEU 32 H LEU 32 -6.664 -8.806 -2.911 239 HA LEU 32 HA LEU 32 -6.139 -7.906 -5.648 240 HG LEU 32 HG LEU 32 -4.910 -10.372 -4.198 241 HB2 LEU 32 2HB LEU 32 -7.347 -10.469 -4.584 242 HB3 LEU 32 1HB LEU 32 -7.091 -10.124 -6.286 243 HD11 LEU 32 1HD1 LEU 32 -5.698 -12.244 -6.431 244 HD12 LEU 32 2HD1 LEU 32 -5.965 -12.516 -4.710 245 HD13 LEU 32 3HD1 LEU 32 -4.323 -12.443 -5.345 246 HD21 LEU 32 3HD2 LEU 32 -3.361 -10.252 -6.075 247 HD22 LEU 32 1HD2 LEU 32 -4.338 -8.788 -5.982 248 HD23 LEU 32 2HD2 LEU 32 -4.705 -10.017 -7.193 249 H TYR 33 H TYR 33 -7.557 -6.486 -6.440 250 HA TYR 33 HA TYR 33 -10.287 -6.365 -5.480 251 HD1 TYR 33 HD2 TYR 33 -6.886 -4.383 -6.050 252 HD2 TYR 33 HD1 TYR 33 -10.837 -3.347 -4.841 253 HE1 TYR 33 HE2 TYR 33 -5.966 -3.005 -4.235 254 HE2 TYR 33 HE1 TYR 33 -9.921 -1.966 -3.027 255 HH TYR 33 HH TYR 33 -6.752 -0.986 -2.885 256 HB2 TYR 33 2HB TYR 33 -8.826 -4.712 -7.553 257 HB3 TYR 33 1HB TYR 33 -10.457 -4.388 -6.979 258 H THR 34 H THR 34 -12.052 -7.142 -6.460 259 HA THR 34 HA THR 34 -11.981 -8.905 -8.650 260 HB THR 34 HB THR 34 -14.456 -8.761 -8.647 261 HG1 THR 34 HG1 THR 34 -15.397 -7.351 -7.006 262 HG21 THR 34 3HG2 THR 34 -13.329 -10.222 -7.020 263 HG22 THR 34 1HG2 THR 34 -14.816 -9.546 -6.354 264 HG23 THR 34 2HG2 THR 34 -13.254 -8.885 -5.871 265 H GLY 35 H GLY 35 -12.012 -5.481 -8.639 266 HA2 GLY 35 2HA GLY 35 -12.288 -5.480 -11.563 267 HA3 GLY 35 1HA GLY 35 -13.366 -4.444 -10.644 268 H LYS 36 H LYS 36 -11.270 -3.773 -12.629 269 HA LYS 36 HA LYS 36 -8.985 -2.699 -11.391 270 HB2 LYS 36 2HB LYS 36 -9.229 -3.082 -13.837 271 HB3 LYS 36 1HB LYS 36 -10.330 -1.712 -13.920 272 HG2 LYS 36 2HG LYS 36 -8.564 -0.201 -13.241 273 HG3 LYS 36 1HG LYS 36 -7.456 -1.554 -13.013 274 HD2 LYS 36 2HD LYS 36 -6.979 -0.471 -15.123 275 HD3 LYS 36 1HD LYS 36 -7.645 -2.076 -15.427 276 HE2 LYS 36 2HE LYS 36 -9.833 -1.091 -15.894 277 HE3 LYS 36 1HE LYS 36 -9.196 0.516 -15.544 278 HZ1 LYS 36 3HZ LYS 36 -9.246 0.151 -17.904 279 HZ2 LYS 36 1HZ LYS 36 -8.338 -1.267 -17.756 280 HZ3 LYS 36 2HZ LYS 36 -7.635 0.225 -17.397 281 H SER 37 H SER 37 -12.218 -1.409 -11.760 282 HA SER 37 HA SER 37 -11.813 1.288 -11.171 283 HG SER 37 HG SER 37 -14.751 2.092 -10.709 284 HB2 SER 37 2HB SER 37 -14.003 0.499 -11.842 285 HB3 SER 37 1HB SER 37 -14.128 -0.516 -10.405 286 H GLY 38 H GLY 38 -12.725 -1.260 -8.824 287 HA2 GLY 38 2HA GLY 38 -12.422 0.256 -6.505 288 HA3 GLY 38 1HA GLY 38 -12.280 -1.491 -6.584 289 H ALA 39 H ALA 39 -9.990 -1.518 -8.336 290 HA ALA 39 HA ALA 39 -7.876 -1.382 -6.495 291 HB1 ALA 39 3HB ALA 39 -7.702 -1.349 -9.511 292 HB2 ALA 39 1HB ALA 39 -7.852 -2.795 -8.511 293 HB3 ALA 39 2HB ALA 39 -6.409 -1.788 -8.394 294 H MET 40 H MET 40 -8.598 0.818 -9.241 295 HA MET 40 HA MET 40 -6.571 2.690 -8.586 296 HB2 MET 40 2HB MET 40 -9.100 3.076 -10.208 297 HB3 MET 40 1HB MET 40 -7.790 4.247 -10.100 298 HG2 MET 40 2HG MET 40 -6.254 2.574 -11.058 299 HG3 MET 40 1HG MET 40 -7.617 1.470 -11.244 300 HE1 MET 40 3HE MET 40 -6.854 1.286 -13.848 301 HE2 MET 40 1HE MET 40 -5.591 2.492 -13.597 302 HE3 MET 40 2HE MET 40 -6.744 2.683 -14.919 303 H ASN 41 H ASN 41 -10.058 2.626 -7.824 304 HA ASN 41 HA ASN 41 -10.329 4.980 -6.399 305 HB2 ASN 41 2HB ASN 41 -11.526 2.282 -5.682 306 HB3 ASN 41 1HB ASN 41 -12.100 3.837 -5.088 307 HD21 ASN 41 1HD2 ASN 41 -13.516 1.816 -6.620 308 HD22 ASN 41 2HD2 ASN 41 -14.046 2.585 -8.068 309 H GLY 42 H GLY 42 -9.054 1.866 -5.253 310 HA2 GLY 42 2HA GLY 42 -8.453 2.655 -2.606 311 HA3 GLY 42 1HA GLY 42 -7.688 1.337 -3.482 312 H ILE 43 H ILE 43 -6.568 2.889 -5.612 313 HA ILE 43 HA ILE 43 -4.089 3.585 -4.461 314 HB ILE 43 HB ILE 43 -5.187 4.378 -7.171 315 HG12 ILE 43 2HG1 ILE 43 -3.384 2.075 -6.369 316 HG13 ILE 43 1HG1 ILE 43 -5.080 1.937 -6.818 317 HG21 ILE 43 1HG2 ILE 43 -2.835 4.722 -7.816 318 HG22 ILE 43 2HG2 ILE 43 -2.342 4.414 -6.151 319 HG23 ILE 43 3HG2 ILE 43 -3.333 5.823 -6.532 320 HD11 ILE 43 3HD1 ILE 43 -3.646 1.277 -8.648 321 HD12 ILE 43 1HD1 ILE 43 -2.840 2.845 -8.613 322 HD13 ILE 43 2HD1 ILE 43 -4.541 2.737 -9.068 323 H GLU 44 H GLU 44 -6.627 5.704 -5.833 324 HA GLU 44 HA GLU 44 -5.350 8.132 -5.160 325 HB2 GLU 44 2HB GLU 44 -7.528 9.189 -5.580 326 HB3 GLU 44 1HB GLU 44 -7.105 8.039 -6.839 327 HG2 GLU 44 2HG GLU 44 -8.580 6.369 -5.736 328 HG3 GLU 44 1HG GLU 44 -9.079 7.624 -4.601 329 H SER 45 H SER 45 -7.635 6.104 -3.380 330 HA SER 45 HA SER 45 -8.031 7.757 -1.150 331 HG SER 45 HG SER 45 -9.662 5.525 -2.408 332 HB2 SER 45 2HB SER 45 -7.887 4.736 -1.323 333 HB3 SER 45 1HB SER 45 -8.387 5.609 0.126 334 H VAL 46 H VAL 46 -5.456 5.347 -1.750 335 HA VAL 46 HA VAL 46 -4.030 5.766 0.642 336 HB VAL 46 HB VAL 46 -2.938 4.917 -2.059 337 HG11 VAL 46 1HG1 VAL 46 -1.738 4.628 0.702 338 HG12 VAL 46 2HG1 VAL 46 -1.144 5.673 -0.590 339 HG13 VAL 46 3HG1 VAL 46 -1.088 3.920 -0.778 340 HG21 VAL 46 3HG2 VAL 46 -3.156 2.632 -1.193 341 HG22 VAL 46 1HG2 VAL 46 -4.719 3.447 -1.253 342 HG23 VAL 46 2HG2 VAL 46 -3.884 3.259 0.287 343 H GLN 47 H GLN 47 -3.728 7.357 -2.535 344 HA GLN 47 HA GLN 47 -1.567 9.038 -2.024 345 HB2 GLN 47 2HB GLN 47 -4.049 9.618 -3.662 346 HB3 GLN 47 1HB GLN 47 -2.559 10.548 -3.735 347 HG2 GLN 47 2HG GLN 47 -1.357 8.657 -4.613 348 HG3 GLN 47 1HG GLN 47 -2.765 7.616 -4.405 349 HE21 GLN 47 1HE2 GLN 47 -1.242 8.266 -6.821 350 HE22 GLN 47 2HE2 GLN 47 -2.387 8.919 -7.935 351 H THR 48 H THR 48 -4.955 9.406 -1.097 352 HA THR 48 HA THR 48 -4.609 12.070 -0.042 353 HB THR 48 HB THR 48 -6.916 10.157 0.407 354 HG1 THR 48 HG1 THR 48 -7.833 11.063 -1.387 355 HG21 THR 48 3HG2 THR 48 -6.758 13.167 0.700 356 HG22 THR 48 1HG2 THR 48 -6.850 12.005 2.028 357 HG23 THR 48 2HG2 THR 48 -8.204 12.182 0.913 358 H ASN 49 H ASN 49 -4.885 8.811 1.404 359 HA ASN 49 HA ASN 49 -4.940 9.871 4.088 360 HB2 ASN 49 2HB ASN 49 -4.770 7.022 3.096 361 HB3 ASN 49 1HB ASN 49 -4.885 7.470 4.795 362 HD21 ASN 49 1HD2 ASN 49 -6.592 6.951 1.899 363 HD22 ASN 49 2HD2 ASN 49 -8.162 7.339 2.489 364 H SER 50 H SER 50 -2.422 8.569 2.010 365 HA SER 50 HA SER 50 -0.573 7.696 3.870 366 HG SER 50 HG SER 50 -0.717 7.151 0.570 367 HB2 SER 50 2HB SER 50 -0.052 9.035 1.209 368 HB3 SER 50 1HB SER 50 1.199 8.250 2.172 369 HA PRO 51 HA PRO 51 1.315 12.162 4.315 370 HB2 PRO 51 2HB PRO 51 -0.395 14.241 3.787 371 HB3 PRO 51 1HB PRO 51 0.769 13.608 2.619 372 HG2 PRO 51 2HG PRO 51 -2.161 13.025 2.878 373 HG3 PRO 51 1HG PRO 51 -1.208 13.340 1.413 374 HD2 PRO 51 2HD PRO 51 -1.903 10.842 2.141 375 HD3 PRO 51 1HD PRO 51 -0.345 11.186 1.364 376 H ILE 52 H ILE 52 -1.937 11.218 5.060 377 HA ILE 52 HA ILE 52 -2.039 12.813 7.519 378 HB ILE 52 HB ILE 52 -4.103 10.881 6.422 379 HG12 ILE 52 2HG1 ILE 52 -4.019 13.908 6.219 380 HG13 ILE 52 1HG1 ILE 52 -3.726 12.791 4.891 381 HG21 ILE 52 1HG2 ILE 52 -5.645 11.978 7.980 382 HG22 ILE 52 2HG2 ILE 52 -4.326 12.983 8.583 383 HG23 ILE 52 3HG2 ILE 52 -4.288 11.237 8.830 384 HD11 ILE 52 3HD1 ILE 52 -6.020 11.969 5.072 385 HD12 ILE 52 1HD1 ILE 52 -5.967 13.708 4.785 386 HD13 ILE 52 2HD1 ILE 52 -6.318 13.094 6.400 387 H GLU 53 H GLU 53 -0.537 11.845 8.892 388 HA GLU 53 HA GLU 53 0.056 9.146 9.095 389 HB2 GLU 53 2HB GLU 53 1.376 11.004 10.122 390 HB3 GLU 53 1HB GLU 53 0.157 11.119 11.387 391 HG2 GLU 53 2HG GLU 53 0.638 8.666 11.863 392 HG3 GLU 53 1HG GLU 53 2.047 8.848 10.821 393 H ALA 54 H ALA 54 -2.542 10.940 10.640 394 HA ALA 54 HA ALA 54 -3.272 9.326 12.740 395 HB1 ALA 54 3HB ALA 54 -5.487 10.286 12.575 396 HB2 ALA 54 1HB ALA 54 -5.178 10.781 10.910 397 HB3 ALA 54 2HB ALA 54 -4.269 11.514 12.231 398 H ARG 55 H ARG 55 -3.456 8.428 9.436 399 HA ARG 55 HA ARG 55 -5.497 6.388 9.854 400 HE ARG 55 HE ARG 55 -8.041 9.026 7.027 401 HB2 ARG 55 2HB ARG 55 -3.808 7.079 7.438 402 HB3 ARG 55 1HB ARG 55 -5.063 5.847 7.458 403 HG2 ARG 55 2HG ARG 55 -5.455 8.805 7.905 404 HG3 ARG 55 1HG ARG 55 -5.915 7.882 6.472 405 HD2 ARG 55 2HD ARG 55 -7.466 6.550 7.845 406 HD3 ARG 55 1HD ARG 55 -7.018 7.504 9.259 407 HH11 ARG 55 1HH1 ARG 55 -8.772 7.409 9.990 408 HH12 ARG 55 2HH1 ARG 55 -10.282 8.234 10.183 409 HH21 ARG 55 1HH2 ARG 55 -9.969 10.075 7.298 410 HH22 ARG 55 2HH2 ARG 55 -10.941 9.734 8.689 411 H TYR 56 H TYR 56 -2.565 6.491 10.981 412 HA TYR 56 HA TYR 56 -1.148 4.283 9.971 413 HD1 TYR 56 HD1 TYR 56 -0.736 3.693 14.115 414 HD2 TYR 56 HD2 TYR 56 -1.585 7.586 12.614 415 HE1 TYR 56 HE1 TYR 56 -1.622 4.352 16.312 416 HE2 TYR 56 HE2 TYR 56 -2.471 8.246 14.799 417 HH TYR 56 HH TYR 56 -2.044 6.357 17.616 418 HB2 TYR 56 2HB TYR 56 0.222 4.453 11.985 419 HB3 TYR 56 1HB TYR 56 -0.132 6.062 11.366 420 H ALA 57 H ALA 57 -1.057 2.138 10.517 421 HA ALA 57 HA ALA 57 -2.440 1.232 12.954 422 HB1 ALA 57 3HB ALA 57 -3.254 -0.781 11.809 423 HB2 ALA 57 1HB ALA 57 -2.606 -0.179 10.282 424 HB3 ALA 57 2HB ALA 57 -3.922 0.681 11.082 425 H LYS 58 H LYS 58 -0.662 0.774 14.164 426 HA LYS 58 HA LYS 58 1.728 -0.351 12.963 427 HB2 LYS 58 2HB LYS 58 1.147 0.174 15.892 428 HB3 LYS 58 1HB LYS 58 2.726 -0.090 15.164 429 HG2 LYS 58 2HG LYS 58 2.531 2.008 13.929 430 HG3 LYS 58 1HG LYS 58 0.916 2.261 14.595 431 HD2 LYS 58 2HD LYS 58 1.966 2.222 16.888 432 HD3 LYS 58 1HD LYS 58 3.541 2.233 16.092 433 HE2 LYS 58 2HE LYS 58 1.407 4.343 15.728 434 HE3 LYS 58 1HE LYS 58 2.780 4.484 16.821 435 HZ1 LYS 58 3HZ LYS 58 2.980 4.160 13.878 436 HZ2 LYS 58 1HZ LYS 58 4.267 4.388 14.946 437 HZ3 LYS 58 2HZ LYS 58 3.140 5.624 14.705 438 H GLU 59 H GLU 59 1.843 -2.482 12.554 439 HA GLU 59 HA GLU 59 0.293 -4.349 14.246 440 HB2 GLU 59 2HB GLU 59 1.041 -4.633 11.325 441 HB3 GLU 59 1HB GLU 59 0.049 -5.747 12.253 442 HG2 GLU 59 2HG GLU 59 -0.691 -2.879 11.702 443 HG3 GLU 59 1HG GLU 59 -1.220 -4.247 10.728 444 H VAL 60 H VAL 60 1.118 -6.516 14.503 445 HA VAL 60 HA VAL 60 3.953 -6.957 13.831 446 HB VAL 60 HB VAL 60 2.728 -7.582 16.539 447 HG11 VAL 60 1HG1 VAL 60 5.524 -8.104 15.502 448 HG12 VAL 60 2HG1 VAL 60 4.293 -9.322 15.844 449 HG13 VAL 60 3HG1 VAL 60 4.977 -8.367 17.159 450 HG21 VAL 60 3HG2 VAL 60 4.342 -5.976 17.439 451 HG22 VAL 60 1HG2 VAL 60 3.265 -5.201 16.276 452 HG23 VAL 60 2HG2 VAL 60 4.912 -5.620 15.808 453 H ALA 61 H ALA 61 4.262 -8.880 12.854 454 HA ALA 61 HA ALA 61 2.055 -10.636 12.370 455 HB1 ALA 61 3HB ALA 61 3.753 -10.210 10.670 456 HB2 ALA 61 1HB ALA 61 3.649 -11.931 11.034 457 HB3 ALA 61 2HB ALA 61 4.978 -10.971 11.683 458 H LYS 62 H LYS 62 2.120 -12.994 12.714 459 HA LYS 62 HA LYS 62 2.540 -13.664 15.437 460 HB2 LYS 62 2HB LYS 62 0.810 -14.725 14.034 461 HB3 LYS 62 1HB LYS 62 2.062 -15.495 13.067 462 HG2 LYS 62 2HG LYS 62 2.782 -16.805 14.979 463 HG3 LYS 62 1HG LYS 62 1.618 -15.975 16.015 464 HD2 LYS 62 2HD LYS 62 0.792 -18.180 15.344 465 HD3 LYS 62 1HD LYS 62 -0.227 -16.896 14.693 466 HE2 LYS 62 2HE LYS 62 0.917 -17.099 12.526 467 HE3 LYS 62 1HE LYS 62 1.923 -18.390 13.183 468 HZ1 LYS 62 3HZ LYS 62 -0.074 -19.705 13.538 469 HZ2 LYS 62 1HZ LYS 62 0.081 -19.274 11.913 470 HZ3 LYS 62 2HZ LYS 62 -1.030 -18.469 12.894 471 H ASN 63 H ASN 63 4.524 -13.955 12.593 472 HA ASN 63 HA ASN 63 6.523 -15.651 13.809 473 HB2 ASN 63 2HB ASN 63 6.576 -13.984 11.277 474 HB3 ASN 63 1HB ASN 63 7.849 -15.098 11.768 475 HD21 ASN 63 1HD2 ASN 63 7.589 -16.359 9.940 476 HD22 ASN 63 2HD2 ASN 63 6.226 -17.393 9.716 477 H ASP 64 H ASP 64 5.727 -12.880 14.937 478 HA ASP 64 HA ASP 64 6.718 -11.333 16.249 479 HB2 ASP 64 2HB ASP 64 9.209 -12.972 15.732 480 HB3 ASP 64 1HB ASP 64 9.101 -11.669 16.912 481 H LYS 65 H LYS 65 6.972 -11.334 13.097 482 HA LYS 65 HA LYS 65 9.041 -9.295 12.794 483 HB2 LYS 65 2HB LYS 65 7.290 -10.603 10.698 484 HB3 LYS 65 1HB LYS 65 8.642 -9.520 10.381 485 HG2 LYS 65 2HG LYS 65 10.177 -11.145 11.401 486 HG3 LYS 65 1HG LYS 65 8.818 -12.231 11.699 487 HD2 LYS 65 2HD LYS 65 9.975 -12.944 9.704 488 HD3 LYS 65 1HD LYS 65 8.394 -12.307 9.255 489 HE2 LYS 65 2HE LYS 65 9.453 -10.168 8.638 490 HE3 LYS 65 1HE LYS 65 11.029 -10.842 9.053 491 HZ1 LYS 65 3HZ LYS 65 10.697 -12.531 7.334 492 HZ2 LYS 65 1HZ LYS 65 10.649 -10.970 6.686 493 HZ3 LYS 65 2HZ LYS 65 9.215 -11.830 6.921 494 HA PRO 66 HA PRO 66 5.846 -6.179 13.241 495 HB2 PRO 66 2HB PRO 66 7.416 -3.998 13.088 496 HB3 PRO 66 1HB PRO 66 7.439 -5.069 14.496 497 HG2 PRO 66 2HG PRO 66 9.330 -4.968 12.163 498 HG3 PRO 66 1HG PRO 66 9.703 -5.094 13.893 499 HD2 PRO 66 2HD PRO 66 9.677 -7.244 12.215 500 HD3 PRO 66 1HD PRO 66 9.291 -7.362 13.945 501 H TYR 67 H TYR 67 4.546 -5.055 11.889 502 HA TYR 67 HA TYR 67 5.561 -3.831 9.467 503 HD1 TYR 67 HD2 TYR 67 3.848 -7.554 10.540 504 HD2 TYR 67 HD1 TYR 67 1.688 -4.829 8.072 505 HE1 TYR 67 HE2 TYR 67 1.743 -8.690 11.127 506 HE2 TYR 67 HE1 TYR 67 -0.411 -5.964 8.650 507 HH TYR 67 HH TYR 67 -1.244 -7.979 9.479 508 HB2 TYR 67 2HB TYR 67 4.073 -4.935 7.929 509 HB3 TYR 67 1HB TYR 67 4.983 -6.172 8.778 510 H PHE 68 H PHE 68 3.350 -2.900 8.264 511 HA PHE 68 HA PHE 68 1.472 -2.011 10.316 512 HD1 PHE 68 HD2 PHE 68 5.150 -0.651 8.951 513 HD2 PHE 68 HD1 PHE 68 1.591 1.131 7.426 514 HE1 PHE 68 HE2 PHE 68 6.400 0.175 7.002 515 HE2 PHE 68 HE1 PHE 68 2.845 1.964 5.480 516 HZ PHE 68 HZ PHE 68 5.251 1.486 5.266 517 HB2 PHE 68 2HB PHE 68 1.697 0.363 9.703 518 HB3 PHE 68 1HB PHE 68 3.183 -0.286 10.382 519 H ASN 69 H ASN 69 -0.483 -1.126 9.533 520 HA ASN 69 HA ASN 69 -1.002 -1.606 6.659 521 HB2 ASN 69 2HB ASN 69 -2.919 -1.937 8.984 522 HB3 ASN 69 1HB ASN 69 -3.354 -2.092 7.286 523 HD21 ASN 69 1HD2 ASN 69 -0.776 -3.436 6.675 524 HD22 ASN 69 2HD2 ASN 69 -0.973 -5.046 7.259 525 H LEU 70 H LEU 70 -2.447 -0.163 5.612 526 HA LEU 70 HA LEU 70 -2.833 2.419 6.995 527 HG LEU 70 HG LEU 70 -3.939 3.928 4.494 528 HB2 LEU 70 2HB LEU 70 -1.322 2.491 5.032 529 HB3 LEU 70 1HB LEU 70 -2.617 1.872 4.025 530 HD11 LEU 70 1HD1 LEU 70 -2.991 4.505 6.664 531 HD12 LEU 70 2HD1 LEU 70 -2.829 5.850 5.536 532 HD13 LEU 70 3HD1 LEU 70 -1.431 4.842 5.911 533 HD21 LEU 70 3HD2 LEU 70 -2.567 3.799 2.480 534 HD22 LEU 70 1HD2 LEU 70 -1.176 4.420 3.371 535 HD23 LEU 70 2HD2 LEU 70 -2.590 5.444 3.118 536 H LYS 71 H LYS 71 -4.878 2.820 7.554 537 HA LYS 71 HA LYS 71 -7.058 1.568 6.005 538 HB2 LYS 71 2HB LYS 71 -7.111 2.585 8.858 539 HB3 LYS 71 1HB LYS 71 -8.467 1.859 8.007 540 HG2 LYS 71 2HG LYS 71 -7.003 -0.222 7.776 541 HG3 LYS 71 1HG LYS 71 -5.937 0.539 8.965 542 HD2 LYS 71 2HD LYS 71 -7.874 0.723 10.516 543 HD3 LYS 71 1HD LYS 71 -8.866 -0.136 9.338 544 HE2 LYS 71 2HE LYS 71 -8.186 -1.754 10.919 545 HE3 LYS 71 1HE LYS 71 -7.188 -2.025 9.495 546 HZ1 LYS 71 3HZ LYS 71 -6.386 -0.652 12.002 547 HZ2 LYS 71 1HZ LYS 71 -5.429 -0.712 10.610 548 HZ3 LYS 71 2HZ LYS 71 -5.817 -2.138 11.426 549 H ALA 72 H ALA 72 -8.664 2.810 5.148 550 HA ALA 72 HA ALA 72 -8.367 5.703 5.156 551 HB1 ALA 72 3HB ALA 72 -8.934 4.485 3.082 552 HB2 ALA 72 1HB ALA 72 -10.141 5.704 3.498 553 HB3 ALA 72 2HB ALA 72 -10.467 3.999 3.806 554 H ALA 73 H ALA 73 -10.679 6.908 5.274 555 HA ALA 73 HA ALA 73 -11.419 7.023 7.941 556 HB1 ALA 73 3HB ALA 73 -11.857 8.801 6.307 557 HB2 ALA 73 1HB ALA 73 -13.298 8.396 7.241 558 HB3 ALA 73 2HB ALA 73 -13.129 7.817 5.582 559 H ASN 74 H ASN 74 -12.886 5.085 5.370 560 HA ASN 74 HA ASN 74 -15.105 4.171 6.944 561 HB2 ASN 74 2HB ASN 74 -14.872 4.274 4.363 562 HB3 ASN 74 1HB ASN 74 -14.016 2.744 4.517 563 HD21 ASN 74 1HD2 ASN 74 -15.170 0.925 5.338 564 HD22 ASN 74 2HD2 ASN 74 -16.893 0.864 5.225 565 H HIS 75 H HIS 75 -11.953 3.587 7.396 566 HA HIS 75 HA HIS 75 -10.796 2.145 8.724 567 HD1 HIS 75 HD1 HIS 75 -15.130 1.656 10.387 568 HD2 HIS 75 HD2 HIS 75 -11.444 3.476 10.986 569 HE1 HIS 75 HE1 HIS 75 -15.579 3.594 11.907 570 HE2 HIS 75 HE2 HIS 75 -13.329 4.624 12.337 571 HB2 HIS 75 2HB HIS 75 -13.367 0.575 9.061 572 HB3 HIS 75 1HB HIS 75 -11.930 0.472 10.072 573 H GLN 76 H GLN 76 -11.681 1.654 5.790 574 HA GLN 76 HA GLN 76 -11.465 -1.166 5.368 575 HB2 GLN 76 2HB GLN 76 -11.573 -0.613 3.023 576 HB3 GLN 76 1HB GLN 76 -12.710 0.412 3.890 577 HG2 GLN 76 2HG GLN 76 -10.787 2.139 3.914 578 HG3 GLN 76 1HG GLN 76 -10.091 1.145 2.636 579 HE21 GLN 76 1HE2 GLN 76 -12.577 3.358 3.500 580 HE22 GLN 76 2HE2 GLN 76 -13.217 3.591 1.912 581 H ILE 77 H ILE 77 -9.742 -2.316 4.387 582 HA ILE 77 HA ILE 77 -7.104 -1.300 5.066 583 HB ILE 77 HB ILE 77 -7.890 -3.967 3.863 584 HG12 ILE 77 2HG1 ILE 77 -8.832 -3.616 6.123 585 HG13 ILE 77 1HG1 ILE 77 -7.606 -4.879 6.113 586 HG21 ILE 77 1HG2 ILE 77 -5.581 -3.441 3.361 587 HG22 ILE 77 2HG2 ILE 77 -5.644 -4.702 4.591 588 HG23 ILE 77 3HG2 ILE 77 -5.268 -3.041 5.050 589 HD11 ILE 77 3HD1 ILE 77 -7.403 -3.470 8.072 590 HD12 ILE 77 1HD1 ILE 77 -7.216 -2.044 7.052 591 HD13 ILE 77 2HD1 ILE 77 -5.983 -3.306 7.041 592 H ILE 78 H ILE 78 -6.414 0.211 3.603 593 HA ILE 78 HA ILE 78 -6.572 -0.447 0.736 594 HB ILE 78 HB ILE 78 -5.916 1.922 0.339 595 HG12 ILE 78 2HG1 ILE 78 -6.249 2.179 3.346 596 HG13 ILE 78 1HG1 ILE 78 -4.734 2.339 2.463 597 HG21 ILE 78 1HG2 ILE 78 -8.086 2.885 0.957 598 HG22 ILE 78 2HG2 ILE 78 -8.377 1.531 2.048 599 HG23 ILE 78 3HG2 ILE 78 -8.260 1.253 0.310 600 HD11 ILE 78 3HD1 ILE 78 -5.631 4.319 1.321 601 HD12 ILE 78 1HD1 ILE 78 -5.606 4.506 3.075 602 HD13 ILE 78 2HD1 ILE 78 -7.124 4.158 2.248 603 H GLY 79 H GLY 79 -4.323 -0.308 3.341 604 HA2 GLY 79 2HA GLY 79 -2.166 -0.931 1.422 605 HA3 GLY 79 1HA GLY 79 -1.896 0.321 2.620 606 H THR 80 H THR 80 -0.826 -2.526 2.002 607 HA THR 80 HA THR 80 -0.504 -3.214 4.856 608 HB THR 80 HB THR 80 -0.911 -5.230 2.617 609 HG1 THR 80 HG1 THR 80 -2.815 -4.192 3.611 610 HG21 THR 80 3HG2 THR 80 0.792 -6.031 4.177 611 HG22 THR 80 1HG2 THR 80 -0.703 -6.943 4.386 612 HG23 THR 80 2HG2 THR 80 -0.269 -5.685 5.543 613 H SER 81 H SER 81 1.625 -3.283 5.421 614 HA SER 81 HA SER 81 3.577 -2.845 3.303 615 HG SER 81 HG SER 81 4.826 -3.705 6.564 616 HB2 SER 81 2HB SER 81 5.076 -2.108 5.008 617 HB3 SER 81 1HB SER 81 3.489 -1.466 5.433 618 H GLN 82 H GLN 82 5.822 -3.781 3.744 619 HA GLN 82 HA GLN 82 5.830 -6.618 3.654 620 HB2 GLN 82 2HB GLN 82 8.165 -4.788 4.272 621 HB3 GLN 82 1HB GLN 82 8.249 -6.421 3.630 622 HG2 GLN 82 2HG GLN 82 7.328 -5.716 1.535 623 HG3 GLN 82 1HG GLN 82 6.995 -4.103 2.167 624 HE21 GLN 82 1HE2 GLN 82 8.734 -2.663 2.477 625 HE22 GLN 82 2HE2 GLN 82 10.263 -2.920 1.720 626 H MET 83 H MET 83 6.425 -8.142 5.256 627 HA MET 83 HA MET 83 6.422 -7.319 8.008 628 HB2 MET 83 2HB MET 83 7.325 -9.805 8.264 629 HB3 MET 83 1HB MET 83 5.637 -9.463 7.929 630 HG2 MET 83 2HG MET 83 6.401 -11.285 6.561 631 HG3 MET 83 1HG MET 83 6.033 -9.893 5.547 632 HE1 MET 83 3HE MET 83 7.311 -11.001 3.521 633 HE2 MET 83 1HE MET 83 7.690 -12.408 4.512 634 HE3 MET 83 2HE MET 83 8.970 -11.596 3.611 635 H TYR 84 H TYR 84 8.035 -6.004 8.606 636 HA TYR 84 HA TYR 84 10.627 -6.141 7.360 637 HD1 TYR 84 HD2 TYR 84 11.492 -3.701 6.408 638 HD2 TYR 84 HD1 TYR 84 7.647 -3.399 8.216 639 HE1 TYR 84 HE2 TYR 84 10.707 -2.371 4.501 640 HE2 TYR 84 HE1 TYR 84 6.848 -2.076 6.302 641 HH TYR 84 HH TYR 84 7.815 -0.636 4.513 642 HB2 TYR 84 2HB TYR 84 9.473 -4.301 9.460 643 HB3 TYR 84 1HB TYR 84 11.122 -4.159 8.860 644 H SER 85 H SER 85 12.609 -5.826 8.709 645 HA SER 85 HA SER 85 12.809 -7.992 10.662 646 HG SER 85 HG SER 85 16.061 -6.018 9.405 647 HB2 SER 85 2HB SER 85 15.252 -7.707 10.376 648 HB3 SER 85 1HB SER 85 14.439 -7.945 8.830 649 H SER 86 H SER 86 13.071 -4.507 10.461 650 HA SER 86 HA SER 86 13.657 -4.396 13.362 651 HG SER 86 HG SER 86 15.631 -1.766 13.385 652 HB2 SER 86 2HB SER 86 15.539 -3.475 12.157 653 HB3 SER 86 1HB SER 86 14.477 -2.466 11.176 654 H THR 87 H THR 87 12.277 -3.282 14.646 655 HA THR 87 HA THR 87 9.769 -2.366 13.697 656 HB THR 87 HB THR 87 9.404 -1.438 15.940 657 HG1 THR 87 HG1 THR 87 11.025 -1.212 17.384 658 HG21 THR 87 3HG2 THR 87 9.098 -3.840 15.657 659 HG22 THR 87 1HG2 THR 87 9.747 -3.490 17.260 660 HG23 THR 87 2HG2 THR 87 10.808 -4.117 15.997 661 H ALA 88 H ALA 88 12.812 -0.742 14.326 662 HA ALA 88 HA ALA 88 11.952 1.930 14.058 663 HB1 ALA 88 3HB ALA 88 14.296 2.454 13.622 664 HB2 ALA 88 1HB ALA 88 14.641 0.744 13.360 665 HB3 ALA 88 2HB ALA 88 14.147 1.309 14.955 666 H ALA 89 H ALA 89 13.221 -0.374 11.643 667 HA ALA 89 HA ALA 89 12.961 1.304 9.388 668 HB1 ALA 89 3HB ALA 89 13.080 -0.742 8.055 669 HB2 ALA 89 1HB ALA 89 12.795 -1.710 9.502 670 HB3 ALA 89 2HB ALA 89 14.276 -0.763 9.353 671 H ARG 90 H ARG 90 10.656 -0.731 11.077 672 HA ARG 90 HA ARG 90 8.554 -0.648 9.188 673 HE ARG 90 HE ARG 90 6.678 0.045 13.509 674 HB2 ARG 90 2HB ARG 90 8.738 -2.195 11.163 675 HB3 ARG 90 1HB ARG 90 8.320 -0.847 12.204 676 HG2 ARG 90 2HG ARG 90 6.477 -1.600 9.973 677 HG3 ARG 90 1HG ARG 90 6.508 -2.573 11.440 678 HD2 ARG 90 2HD ARG 90 5.971 0.398 11.312 679 HD3 ARG 90 1HD ARG 90 4.750 -0.857 11.509 680 HH11 ARG 90 1HH1 ARG 90 4.176 -2.200 12.672 681 HH12 ARG 90 2HH1 ARG 90 3.833 -2.575 14.327 682 HH21 ARG 90 1HH2 ARG 90 6.202 -0.458 15.607 683 HH22 ARG 90 2HH2 ARG 90 4.943 -1.593 15.957 684 H ASP 91 H ASP 91 9.253 1.413 12.018 685 HA ASP 91 HA ASP 91 7.128 3.239 11.623 686 HB2 ASP 91 2HB ASP 91 8.297 3.111 13.751 687 HB3 ASP 91 1HB ASP 91 9.808 3.599 12.990 688 H ASN 92 H ASN 92 10.558 3.393 10.650 689 HA ASN 92 HA ASN 92 10.481 5.775 9.203 690 HB2 ASN 92 2HB ASN 92 12.150 3.282 8.811 691 HB3 ASN 92 1HB ASN 92 12.415 4.769 7.904 692 HD21 ASN 92 1HD2 ASN 92 14.488 4.959 8.793 693 HD22 ASN 92 2HD2 ASN 92 14.730 5.486 10.421 694 H GLY 93 H GLY 93 9.498 2.516 8.271 695 HA2 GLY 93 2HA GLY 93 8.958 2.952 5.550 696 HA3 GLY 93 1HA GLY 93 8.130 1.789 6.575 697 H ILE 94 H ILE 94 6.849 3.412 8.392 698 HA ILE 94 HA ILE 94 4.554 4.341 7.093 699 HB ILE 94 HB ILE 94 5.620 5.258 9.783 700 HG12 ILE 94 2HG1 ILE 94 3.729 2.978 9.108 701 HG13 ILE 94 1HG1 ILE 94 5.401 2.799 9.629 702 HG21 ILE 94 1HG2 ILE 94 3.864 6.735 8.962 703 HG22 ILE 94 2HG2 ILE 94 3.264 5.769 10.310 704 HG23 ILE 94 3HG2 ILE 94 2.813 5.352 8.657 705 HD11 ILE 94 3HD1 ILE 94 3.856 2.368 11.447 706 HD12 ILE 94 1HD1 ILE 94 3.163 3.979 11.260 707 HD13 ILE 94 2HD1 ILE 94 4.837 3.795 11.783 708 H LYS 95 H LYS 95 7.377 6.178 8.248 709 HA LYS 95 HA LYS 95 6.494 8.712 7.328 710 HB2 LYS 95 2HB LYS 95 9.265 7.651 7.916 711 HB3 LYS 95 1HB LYS 95 8.923 9.339 7.549 712 HG2 LYS 95 2HG LYS 95 7.594 9.583 9.518 713 HG3 LYS 95 1HG LYS 95 7.639 7.847 9.834 714 HD2 LYS 95 2HD LYS 95 10.003 7.946 10.318 715 HD3 LYS 95 1HD LYS 95 10.074 9.640 9.829 716 HE2 LYS 95 2HE LYS 95 10.030 9.306 12.297 717 HE3 LYS 95 1HE LYS 95 8.706 10.299 11.690 718 HZ1 LYS 95 3HZ LYS 95 7.975 8.679 13.341 719 HZ2 LYS 95 1HZ LYS 95 8.508 7.414 12.359 720 HZ3 LYS 95 2HZ LYS 95 7.237 8.406 11.848 721 H SER 96 H SER 96 8.376 6.145 5.792 722 HA SER 96 HA SER 96 9.154 7.543 3.478 723 HG SER 96 HG SER 96 10.408 5.343 5.084 724 HB2 SER 96 2HB SER 96 8.665 4.584 3.896 725 HB3 SER 96 1HB SER 96 9.386 5.264 2.438 726 H VAL 97 H VAL 97 6.168 5.742 4.199 727 HA VAL 97 HA VAL 97 5.142 6.080 1.531 728 HB VAL 97 HB VAL 97 4.415 4.162 2.853 729 HG11 VAL 97 1HG1 VAL 97 3.024 6.162 4.632 730 HG12 VAL 97 2HG1 VAL 97 4.387 5.130 5.072 731 HG13 VAL 97 3HG1 VAL 97 2.822 4.409 4.697 732 HG21 VAL 97 3HG2 VAL 97 2.026 4.271 2.359 733 HG22 VAL 97 1HG2 VAL 97 2.973 4.993 1.059 734 HG23 VAL 97 2HG2 VAL 97 2.124 6.026 2.208 735 H MET 98 H MET 98 4.857 7.923 4.551 736 HA MET 98 HA MET 98 2.823 9.681 3.724 737 HB2 MET 98 2HB MET 98 5.236 10.268 5.457 738 HB3 MET 98 1HB MET 98 3.866 11.352 5.264 739 HG2 MET 98 2HG MET 98 2.433 9.418 6.122 740 HG3 MET 98 1HG MET 98 3.952 8.671 6.613 741 HE1 MET 98 3HE MET 98 5.630 11.348 7.386 742 HE2 MET 98 1HE MET 98 5.673 9.875 8.360 743 HE3 MET 98 2HE MET 98 5.326 11.426 9.122 744 H GLU 99 H GLU 99 6.321 9.780 3.127 745 HA GLU 99 HA GLU 99 6.246 12.189 1.581 746 HB2 GLU 99 2HB GLU 99 8.315 10.048 2.012 747 HB3 GLU 99 1HB GLU 99 8.585 11.355 0.867 748 HG2 GLU 99 2HG GLU 99 7.971 11.745 3.794 749 HG3 GLU 99 1HG GLU 99 9.590 11.745 3.097 750 H ASN 100 H ASN 100 6.562 8.747 0.630 751 HA ASN 100 HA ASN 100 6.596 9.495 -2.181 752 HB2 ASN 100 2HB ASN 100 6.880 6.838 -0.778 753 HB3 ASN 100 1HB ASN 100 6.867 7.002 -2.535 754 HD21 ASN 100 1HD2 ASN 100 8.655 7.611 0.382 755 HD22 ASN 100 2HD2 ASN 100 10.143 8.025 -0.390 756 H GLY 101 H GLY 101 4.263 8.128 0.051 757 HA2 GLY 101 2HA GLY 101 2.560 6.847 -1.800 758 HA3 GLY 101 1HA GLY 101 2.085 7.432 -0.216 759 H LYS 102 H LYS 102 2.774 10.227 -0.877 760 HA LYS 102 HA LYS 102 0.264 10.961 -2.095 761 HB2 LYS 102 2HB LYS 102 1.025 13.293 -1.623 762 HB3 LYS 102 1HB LYS 102 1.028 12.244 -0.212 763 HG2 LYS 102 2HG LYS 102 3.462 11.937 -0.473 764 HG3 LYS 102 1HG LYS 102 3.434 13.048 -1.843 765 HD2 LYS 102 2HD LYS 102 2.570 14.822 -0.351 766 HD3 LYS 102 1HD LYS 102 2.682 13.704 1.012 767 HE2 LYS 102 2HE LYS 102 4.617 15.173 0.966 768 HE3 LYS 102 1HE LYS 102 5.111 13.513 0.632 769 HZ1 LYS 102 3HZ LYS 102 5.028 14.112 -1.776 770 HZ2 LYS 102 1HZ LYS 102 6.221 14.928 -0.896 771 HZ3 LYS 102 2HZ LYS 102 4.800 15.728 -1.318 772 H THR 103 H THR 103 1.848 9.575 -3.943 773 HA THR 103 HA THR 103 2.777 11.615 -5.858 774 HB THR 103 HB THR 103 4.398 9.848 -5.468 775 HG1 THR 103 HG1 THR 103 4.623 9.152 -7.653 776 HG21 THR 103 3HG2 THR 103 2.843 8.086 -4.731 777 HG22 THR 103 1HG2 THR 103 3.919 7.507 -6.004 778 HG23 THR 103 2HG2 THR 103 2.248 7.923 -6.383 779 H THR 104 H THR 104 1.912 11.794 -7.917 780 HA THR 104 HA THR 104 -0.694 10.503 -8.350 781 HB THR 104 HB THR 104 -1.023 12.164 -10.150 782 HG1 THR 104 HG1 THR 104 0.564 13.869 -10.319 783 HG21 THR 104 3HG2 THR 104 -1.159 14.171 -8.733 784 HG22 THR 104 1HG2 THR 104 -0.133 13.387 -7.531 785 HG23 THR 104 2HG2 THR 104 -1.735 12.738 -7.881 786 H THR 105 H THR 105 2.396 9.753 -9.043 787 HA THR 105 HA THR 105 2.111 9.016 -11.833 788 HB THR 105 HB THR 105 4.337 8.406 -9.870 789 HG1 THR 105 HG1 THR 105 4.391 10.260 -12.025 790 HG21 THR 105 3HG2 THR 105 4.259 8.110 -12.882 791 HG22 THR 105 1HG2 THR 105 4.284 6.786 -11.714 792 HG23 THR 105 2HG2 THR 105 5.673 7.862 -11.857 793 H ILE 106 H ILE 106 0.806 7.349 -12.292 794 HA ILE 106 HA ILE 106 0.974 4.888 -10.652 795 HB ILE 106 HB ILE 106 -1.434 5.903 -12.190 796 HG12 ILE 106 2HG1 ILE 106 -0.983 5.812 -9.191 797 HG13 ILE 106 1HG1 ILE 106 -0.896 7.269 -10.176 798 HG21 ILE 106 1HG2 ILE 106 -2.656 4.098 -11.035 799 HG22 ILE 106 2HG2 ILE 106 -1.136 3.532 -10.336 800 HG23 ILE 106 3HG2 ILE 106 -1.380 3.475 -12.083 801 HD11 ILE 106 3HD1 ILE 106 -3.019 7.118 -9.019 802 HD12 ILE 106 1HD1 ILE 106 -3.339 5.555 -9.769 803 HD13 ILE 106 2HD1 ILE 106 -3.255 7.009 -10.763 804 H LYS 107 H LYS 107 2.015 3.314 -11.762 805 HA LYS 107 HA LYS 107 2.023 3.211 -14.660 806 HB2 LYS 107 2HB LYS 107 3.178 1.362 -12.562 807 HB3 LYS 107 1HB LYS 107 3.297 1.049 -14.285 808 HG2 LYS 107 2HG LYS 107 4.498 3.252 -14.503 809 HG3 LYS 107 1HG LYS 107 4.545 3.313 -12.736 810 HD2 LYS 107 2HD LYS 107 5.763 1.194 -12.676 811 HD3 LYS 107 1HD LYS 107 5.665 1.069 -14.431 812 HE2 LYS 107 2HE LYS 107 7.857 1.838 -13.851 813 HE3 LYS 107 1HE LYS 107 6.984 3.177 -14.593 814 HZ1 LYS 107 3HZ LYS 107 6.619 4.140 -12.458 815 HZ2 LYS 107 1HZ LYS 107 8.265 3.794 -12.598 816 HZ3 LYS 107 2HZ LYS 107 7.274 2.795 -11.665 817 H ASP 108 H ASP 108 0.302 2.402 -15.753 818 HA ASP 108 HA ASP 108 -1.317 0.290 -14.563 819 HB2 ASP 108 2HB ASP 108 -2.527 2.050 -15.695 820 HB3 ASP 108 1HB ASP 108 -1.595 1.802 -17.167 821 H LEU 109 H LEU 109 -0.331 -1.623 -14.601 822 HA LEU 109 HA LEU 109 1.071 -2.538 -17.020 823 HG LEU 109 HG LEU 109 2.246 -1.496 -14.232 824 HB2 LEU 109 2HB LEU 109 1.106 -3.681 -14.219 825 HB3 LEU 109 1HB LEU 109 2.104 -4.213 -15.563 826 HD11 LEU 109 1HD1 LEU 109 4.130 -3.853 -14.102 827 HD12 LEU 109 2HD1 LEU 109 3.104 -3.259 -12.795 828 HD13 LEU 109 3HD1 LEU 109 4.422 -2.257 -13.402 829 HD21 LEU 109 3HD2 LEU 109 2.813 -1.361 -16.599 830 HD22 LEU 109 1HD2 LEU 109 3.955 -2.693 -16.421 831 HD23 LEU 109 2HD2 LEU 109 4.253 -1.158 -15.603 832 H THR 110 H THR 110 -1.985 -2.666 -16.069 833 HA THR 110 HA THR 110 -2.519 -5.505 -16.060 834 HB THR 110 HB THR 110 -4.856 -4.962 -15.980 835 HG1 THR 110 HG1 THR 110 -4.422 -2.194 -16.259 836 HG21 THR 110 3HG2 THR 110 -3.659 -4.577 -13.895 837 HG22 THR 110 1HG2 THR 110 -4.940 -3.380 -14.079 838 HG23 THR 110 2HG2 THR 110 -3.264 -2.931 -14.395 839 H LEU 111 H LEU 111 -2.286 -3.047 -18.499 840 HA LEU 111 HA LEU 111 -3.869 -4.100 -20.532 841 HG LEU 111 HG LEU 111 -2.823 -1.242 -19.567 842 HB2 LEU 111 2HB LEU 111 -1.247 -2.623 -20.804 843 HB3 LEU 111 1HB LEU 111 -2.417 -2.854 -22.091 844 HD11 LEU 111 1HD1 LEU 111 -2.975 0.660 -21.107 845 HD12 LEU 111 2HD1 LEU 111 -2.612 -0.407 -22.463 846 HD13 LEU 111 3HD1 LEU 111 -1.404 -0.134 -21.207 847 HD21 LEU 111 3HD2 LEU 111 -4.739 -1.730 -21.851 848 HD22 LEU 111 1HD2 LEU 111 -4.998 -0.637 -20.490 849 HD23 LEU 111 2HD2 LEU 111 -4.892 -2.376 -20.216 850 H GLU 112 H GLU 112 -0.440 -4.797 -19.831 851 HA GLU 112 HA GLU 112 -0.693 -7.436 -20.969 852 HB2 GLU 112 2HB GLU 112 1.015 -7.203 -22.690 853 HB3 GLU 112 1HB GLU 112 -0.308 -6.086 -23.003 854 HG2 GLU 112 2HG GLU 112 0.975 -4.226 -22.226 855 HG3 GLU 112 1HG GLU 112 2.247 -5.285 -21.620 856 H HIS 113 H HIS 113 1.164 -8.777 -20.608 857 HA HIS 113 HA HIS 113 3.622 -7.810 -19.631 858 HD1 HIS 113 HD1 HIS 113 0.367 -7.182 -16.897 859 HD2 HIS 113 HD2 HIS 113 1.476 -11.167 -17.298 860 HE1 HIS 113 HE1 HIS 113 -1.586 -8.512 -16.047 861 HE2 HIS 113 HE2 HIS 113 -0.860 -10.910 -16.209 862 HB2 HIS 113 2HB HIS 113 3.473 -9.050 -17.359 863 HB3 HIS 113 1HB HIS 113 2.784 -7.440 -17.495 864 H HIS 114 H HIS 114 4.449 -9.076 -21.238 865 HA HIS 114 HA HIS 114 3.879 -11.897 -21.404 866 HD1 HIS 114 HD1 HIS 114 4.981 -8.421 -23.988 867 HD2 HIS 114 HD2 HIS 114 8.079 -10.576 -22.252 868 HE1 HIS 114 HE1 HIS 114 6.991 -6.924 -24.101 869 HE2 HIS 114 HE2 HIS 114 8.880 -8.305 -23.192 870 HB2 HIS 114 2HB HIS 114 5.621 -11.897 -23.204 871 HB3 HIS 114 1HB HIS 114 4.310 -10.755 -23.470 872 H HIS 115 H HIS 115 5.109 -13.619 -20.742 873 HA HIS 115 HA HIS 115 7.743 -13.252 -19.598 874 HD1 HIS 115 HD1 HIS 115 6.066 -15.942 -16.581 875 HD2 HIS 115 HD2 HIS 115 3.408 -13.224 -18.264 876 HE1 HIS 115 HE1 HIS 115 3.781 -16.897 -16.175 877 HE2 HIS 115 HE2 HIS 115 2.205 -15.324 -17.343 878 HB2 HIS 115 2HB HIS 115 7.199 -13.807 -17.322 879 HB3 HIS 115 1HB HIS 115 6.163 -12.464 -17.798 880 H HIS 116 H HIS 116 8.635 -15.294 -18.721 881 HA HIS 116 HA HIS 116 7.311 -17.709 -19.801 882 HD1 HIS 116 HD1 HIS 116 11.252 -16.019 -21.120 883 HD2 HIS 116 HD2 HIS 116 8.115 -18.469 -22.310 884 HE1 HIS 116 HE1 HIS 116 11.138 -15.799 -23.614 885 HE2 HIS 116 HE2 HIS 116 9.161 -17.188 -24.299 886 HB2 HIS 116 2HB HIS 116 10.237 -17.182 -19.206 887 HB3 HIS 116 1HB HIS 116 9.595 -18.760 -19.646 888 H HIS 117 H HIS 117 8.186 -19.732 -18.453 889 HA HIS 117 HA HIS 117 8.496 -19.182 -15.611 890 HD1 HIS 117 HD1 HIS 117 6.882 -22.857 -14.964 891 HD2 HIS 117 HD2 HIS 117 6.201 -19.189 -13.131 892 HE1 HIS 117 HE1 HIS 117 6.731 -23.351 -12.510 893 HE2 HIS 117 HE2 HIS 117 6.493 -21.101 -11.415 894 HB2 HIS 117 2HB HIS 117 6.036 -19.322 -15.915 895 HB3 HIS 117 1HB HIS 117 6.225 -20.933 -16.606 896 H HIS 118 H HIS 118 9.805 -20.646 -14.641 897 HA HIS 118 HA HIS 118 10.665 -22.949 -16.263 898 HD1 HIS 118 HD1 HIS 118 12.567 -23.149 -12.343 899 HD2 HIS 118 HD2 HIS 118 11.933 -19.315 -13.819 900 HE1 HIS 118 HE1 HIS 118 12.703 -21.629 -10.351 901 HE2 HIS 118 HE2 HIS 118 12.455 -19.312 -11.287 902 HB2 HIS 118 2HB HIS 118 12.701 -22.983 -14.903 903 HB3 HIS 118 1HB HIS 118 12.454 -21.403 -15.636 Start of MODEL 16 1 HA MET 1 HA MET 1 14.547 8.934 -6.869 2 H1 MET 1 1H MET 1 14.440 10.511 -8.693 3 H2 MET 1 2H MET 1 13.139 11.306 -7.960 4 H3 MET 1 3H MET 1 12.965 9.707 -8.486 5 HB2 MET 1 2HB MET 1 15.500 10.439 -5.204 6 HB3 MET 1 1HB MET 1 15.935 10.970 -6.821 7 HG2 MET 1 2HG MET 1 13.820 12.166 -5.040 8 HG3 MET 1 1HG MET 1 15.383 12.872 -5.457 9 HE1 MET 1 3HE MET 1 12.876 15.216 -7.342 10 HE2 MET 1 1HE MET 1 14.214 15.133 -6.195 11 HE3 MET 1 2HE MET 1 12.642 14.463 -5.765 12 H SER 2 H SER 2 11.560 10.111 -7.178 13 HA SER 2 HA SER 2 10.776 9.650 -4.369 14 HG SER 2 HG SER 2 7.941 11.588 -4.627 15 HB2 SER 2 2HB SER 2 9.993 11.786 -5.333 16 HB3 SER 2 1HB SER 2 9.175 10.907 -6.624 17 H GLY 3 H GLY 3 8.280 8.772 -4.471 18 HA2 GLY 3 2HA GLY 3 8.636 6.073 -5.555 19 HA3 GLY 3 1HA GLY 3 7.482 6.555 -4.327 20 H TRP 4 H TRP 4 6.269 5.020 -5.863 21 HA TRP 4 HA TRP 4 4.413 6.570 -7.377 22 HD1 TRP 4 HD1 TRP 4 5.018 2.817 -9.567 23 HE1 TRP 4 HE1 TRP 4 7.092 1.309 -9.774 24 HE3 TRP 4 HE3 TRP 4 8.631 6.267 -8.472 25 HZ2 TRP 4 HZ2 TRP 4 9.891 1.555 -9.517 26 HZ3 TRP 4 HZ3 TRP 4 10.986 5.546 -8.479 27 HH2 TRP 4 HH2 TRP 4 11.601 3.240 -8.990 28 HB2 TRP 4 2HB TRP 4 4.776 5.522 -9.575 29 HB3 TRP 4 1HB TRP 4 6.183 6.447 -9.065 30 H TYR 5 H TYR 5 2.749 5.151 -8.470 31 HA TYR 5 HA TYR 5 2.279 2.699 -6.888 32 HD1 TYR 5 HD2 TYR 5 0.080 3.011 -5.074 33 HD2 TYR 5 HD1 TYR 5 0.414 6.487 -7.506 34 HE1 TYR 5 HE2 TYR 5 -0.438 4.422 -3.125 35 HE2 TYR 5 HE1 TYR 5 -0.107 7.902 -5.572 36 HH TYR 5 HH TYR 5 0.079 6.936 -2.478 37 HB2 TYR 5 2HB TYR 5 0.325 4.357 -8.518 38 HB3 TYR 5 1HB TYR 5 -0.083 2.922 -7.590 39 H GLU 6 H GLU 6 2.089 0.724 -7.924 40 HA GLU 6 HA GLU 6 1.747 0.759 -10.854 41 HB2 GLU 6 2HB GLU 6 3.575 -1.083 -9.293 42 HB3 GLU 6 1HB GLU 6 3.174 -1.287 -10.996 43 HG2 GLU 6 2HG GLU 6 4.074 1.091 -11.303 44 HG3 GLU 6 1HG GLU 6 4.766 0.902 -9.698 45 H LEU 7 H LEU 7 -0.209 0.042 -11.257 46 HA LEU 7 HA LEU 7 -1.486 -1.963 -9.556 47 HG LEU 7 HG LEU 7 -3.720 -2.577 -11.578 48 HB2 LEU 7 2HB LEU 7 -2.814 -0.033 -10.215 49 HB3 LEU 7 1HB LEU 7 -2.505 -0.363 -11.910 50 HD11 LEU 7 1HD1 LEU 7 -5.291 -2.702 -9.705 51 HD12 LEU 7 2HD1 LEU 7 -4.585 -1.240 -9.016 52 HD13 LEU 7 3HD1 LEU 7 -3.614 -2.706 -9.160 53 HD21 LEU 7 3HD2 LEU 7 -5.266 -0.011 -11.234 54 HD22 LEU 7 1HD2 LEU 7 -5.937 -1.554 -11.767 55 HD23 LEU 7 2HD2 LEU 7 -4.734 -0.729 -12.756 56 H SER 8 H SER 8 -1.374 -4.090 -10.043 57 HA SER 8 HA SER 8 -1.020 -4.843 -12.875 58 HG SER 8 HG SER 8 0.201 -5.471 -9.621 59 HB2 SER 8 2HB SER 8 0.498 -6.677 -12.175 60 HB3 SER 8 1HB SER 8 1.144 -5.088 -11.768 61 H LYS 9 H LYS 9 -1.700 -7.021 -13.429 62 HA LYS 9 HA LYS 9 -4.173 -7.698 -12.078 63 HB2 LYS 9 2HB LYS 9 -4.165 -7.615 -14.508 64 HB3 LYS 9 1HB LYS 9 -2.880 -8.809 -14.582 65 HG2 LYS 9 2HG LYS 9 -4.323 -10.531 -13.780 66 HG3 LYS 9 1HG LYS 9 -5.595 -9.366 -13.405 67 HD2 LYS 9 2HD LYS 9 -4.553 -9.815 -16.201 68 HD3 LYS 9 1HD LYS 9 -5.908 -10.721 -15.524 69 HE2 LYS 9 2HE LYS 9 -7.026 -8.510 -15.066 70 HE3 LYS 9 1HE LYS 9 -5.735 -7.742 -15.993 71 HZ1 LYS 9 3HZ LYS 9 -7.736 -8.181 -17.317 72 HZ2 LYS 9 1HZ LYS 9 -7.558 -9.841 -17.042 73 HZ3 LYS 9 2HZ LYS 9 -6.386 -8.992 -17.924 74 H SER 10 H SER 10 -4.706 -9.872 -11.394 75 HA SER 10 HA SER 10 -2.367 -11.266 -10.253 76 HG SER 10 HG SER 10 -3.242 -12.074 -7.570 77 HB2 SER 10 2HB SER 10 -3.794 -10.281 -8.545 78 HB3 SER 10 1HB SER 10 -5.210 -11.082 -9.224 79 H SER 11 H SER 11 -3.084 -13.616 -9.550 80 HA SER 11 HA SER 11 -3.261 -15.150 -11.891 81 HG SER 11 HG SER 11 -3.945 -16.865 -8.296 82 HB2 SER 11 2HB SER 11 -3.471 -17.094 -10.372 83 HB3 SER 11 1HB SER 11 -2.200 -15.989 -9.855 84 H ASN 12 H ASN 12 -5.762 -14.056 -9.702 85 HA ASN 12 HA ASN 12 -7.825 -15.716 -10.923 86 HB2 ASN 12 2HB ASN 12 -8.032 -13.518 -8.847 87 HB3 ASN 12 1HB ASN 12 -9.345 -14.579 -9.341 88 HD21 ASN 12 1HD2 ASN 12 -8.159 -14.174 -6.735 89 HD22 ASN 12 2HD2 ASN 12 -7.612 -15.725 -6.209 90 H ASP 13 H ASP 13 -6.334 -13.449 -12.400 91 HA ASP 13 HA ASP 13 -6.771 -11.853 -13.956 92 HB2 ASP 13 2HB ASP 13 -8.446 -13.576 -14.696 93 HB3 ASP 13 1HB ASP 13 -9.666 -12.733 -13.750 94 H GLN 14 H GLN 14 -7.489 -11.556 -10.893 95 HA GLN 14 HA GLN 14 -9.117 -9.167 -10.861 96 HB2 GLN 14 2HB GLN 14 -7.564 -10.583 -8.680 97 HB3 GLN 14 1HB GLN 14 -8.597 -9.184 -8.410 98 HG2 GLN 14 2HG GLN 14 -10.542 -10.445 -9.132 99 HG3 GLN 14 1HG GLN 14 -9.528 -11.836 -9.509 100 HE21 GLN 14 1HE2 GLN 14 -10.941 -9.937 -6.959 101 HE22 GLN 14 2HE2 GLN 14 -10.659 -11.078 -5.693 102 H PHE 15 H PHE 15 -7.968 -7.451 -9.109 103 HA PHE 15 HA PHE 15 -5.414 -6.674 -10.386 104 HD1 PHE 15 HD1 PHE 15 -5.683 -5.136 -12.728 105 HD2 PHE 15 HD2 PHE 15 -9.510 -5.561 -10.903 106 HE1 PHE 15 HE1 PHE 15 -6.701 -5.468 -14.941 107 HE2 PHE 15 HE2 PHE 15 -10.527 -5.895 -13.116 108 HZ PHE 15 HZ PHE 15 -9.120 -5.848 -15.136 109 HB2 PHE 15 2HB PHE 15 -7.671 -4.799 -9.627 110 HB3 PHE 15 1HB PHE 15 -6.150 -4.349 -10.395 111 H LYS 16 H LYS 16 -3.835 -5.877 -9.056 112 HA LYS 16 HA LYS 16 -4.559 -4.797 -6.446 113 HB2 LYS 16 2HB LYS 16 -3.028 -6.101 -5.164 114 HB3 LYS 16 1HB LYS 16 -4.021 -7.228 -6.072 115 HG2 LYS 16 2HG LYS 16 -1.260 -6.390 -6.952 116 HG3 LYS 16 1HG LYS 16 -1.562 -7.777 -5.909 117 HD2 LYS 16 2HD LYS 16 -2.911 -8.824 -7.645 118 HD3 LYS 16 1HD LYS 16 -2.712 -7.409 -8.682 119 HE2 LYS 16 2HE LYS 16 -1.205 -9.251 -9.317 120 HE3 LYS 16 1HE LYS 16 -0.322 -7.809 -8.821 121 HZ1 LYS 16 3HZ LYS 16 -0.800 -10.216 -7.153 122 HZ2 LYS 16 1HZ LYS 16 0.023 -8.829 -6.647 123 HZ3 LYS 16 2HZ LYS 16 0.658 -9.787 -7.885 124 H PHE 17 H PHE 17 -3.266 -3.115 -5.820 125 HA PHE 17 HA PHE 17 -1.115 -2.387 -7.698 126 HD1 PHE 17 HD2 PHE 17 -4.863 -1.341 -6.319 127 HD2 PHE 17 HD1 PHE 17 -1.474 0.696 -4.724 128 HE1 PHE 17 HE2 PHE 17 -6.194 -0.653 -4.370 129 HE2 PHE 17 HE1 PHE 17 -2.805 1.382 -2.771 130 HZ PHE 17 HZ PHE 17 -5.168 0.710 -2.593 131 HB2 PHE 17 2HB PHE 17 -1.491 -0.042 -7.009 132 HB3 PHE 17 1HB PHE 17 -2.919 -0.773 -7.726 133 H VAL 18 H VAL 18 0.854 -1.633 -6.984 134 HA VAL 18 HA VAL 18 1.425 -1.977 -4.106 135 HB VAL 18 HB VAL 18 3.719 -2.660 -4.735 136 HG11 VAL 18 1HG1 VAL 18 2.071 -4.385 -4.260 137 HG12 VAL 18 2HG1 VAL 18 3.157 -4.922 -5.543 138 HG13 VAL 18 3HG1 VAL 18 1.533 -4.363 -5.942 139 HG21 VAL 18 3HG2 VAL 18 4.261 -3.271 -7.038 140 HG22 VAL 18 1HG2 VAL 18 3.844 -1.560 -6.936 141 HG23 VAL 18 2HG2 VAL 18 2.674 -2.718 -7.573 142 H LEU 19 H LEU 19 2.493 -0.378 -3.074 143 HA LEU 19 HA LEU 19 3.165 2.039 -4.597 144 HG LEU 19 HG LEU 19 4.391 3.334 -1.865 145 HB2 LEU 19 2HB LEU 19 1.652 2.431 -2.786 146 HB3 LEU 19 1HB LEU 19 2.668 1.546 -1.661 147 HD11 LEU 19 1HD1 LEU 19 2.285 4.757 -3.494 148 HD12 LEU 19 2HD1 LEU 19 3.840 4.169 -4.080 149 HD13 LEU 19 3HD1 LEU 19 3.782 5.473 -2.896 150 HD21 LEU 19 3HD2 LEU 19 2.786 3.355 -0.030 151 HD22 LEU 19 1HD2 LEU 19 1.646 4.271 -1.017 152 HD23 LEU 19 2HD2 LEU 19 3.180 4.998 -0.534 153 H LYS 20 H LYS 20 5.215 2.156 -5.243 154 HA LYS 20 HA LYS 20 7.350 0.959 -3.626 155 HB2 LYS 20 2HB LYS 20 7.317 2.035 -6.451 156 HB3 LYS 20 1HB LYS 20 8.783 1.506 -5.636 157 HG2 LYS 20 2HG LYS 20 7.814 -0.744 -5.380 158 HG3 LYS 20 1HG LYS 20 6.376 -0.208 -6.250 159 HD2 LYS 20 2HD LYS 20 7.692 0.223 -8.239 160 HD3 LYS 20 1HD LYS 20 9.181 -0.166 -7.372 161 HE2 LYS 20 2HE LYS 20 8.474 -2.473 -7.119 162 HE3 LYS 20 1HE LYS 20 6.913 -2.109 -7.858 163 HZ1 LYS 20 3HZ LYS 20 9.543 -1.876 -9.217 164 HZ2 LYS 20 1HZ LYS 20 8.029 -1.599 -9.919 165 HZ3 LYS 20 2HZ LYS 20 8.457 -3.155 -9.417 166 H ALA 21 H ALA 21 9.011 2.112 -2.718 167 HA ALA 21 HA ALA 21 8.684 4.985 -2.445 168 HB1 ALA 21 3HB ALA 21 10.813 3.162 -1.315 169 HB2 ALA 21 1HB ALA 21 9.311 3.611 -0.505 170 HB3 ALA 21 2HB ALA 21 10.528 4.840 -0.851 171 H GLY 22 H GLY 22 10.961 6.230 -2.467 172 HA2 GLY 22 2HA GLY 22 11.748 6.569 -5.112 173 HA3 GLY 22 1HA GLY 22 12.672 7.112 -3.723 174 H ASN 23 H ASN 23 12.789 4.110 -2.950 175 HA ASN 23 HA ASN 23 15.268 3.548 -4.332 176 HB2 ASN 23 2HB ASN 23 14.971 3.143 -1.895 177 HB3 ASN 23 1HB ASN 23 13.787 1.894 -2.266 178 HD21 ASN 23 1HD2 ASN 23 14.495 -0.096 -2.958 179 HD22 ASN 23 2HD2 ASN 23 16.159 -0.546 -2.997 180 H GLY 24 H GLY 24 12.212 3.181 -5.352 181 HA2 GLY 24 2HA GLY 24 11.202 1.884 -6.965 182 HA3 GLY 24 1HA GLY 24 12.789 1.217 -7.319 183 H GLU 25 H GLU 25 11.211 1.049 -4.197 184 HA GLU 25 HA GLU 25 10.900 -1.867 -4.511 185 HB2 GLU 25 2HB GLU 25 12.952 -1.421 -3.272 186 HB3 GLU 25 1HB GLU 25 12.081 -0.389 -2.147 187 HG2 GLU 25 2HG GLU 25 10.901 -2.244 -1.231 188 HG3 GLU 25 1HG GLU 25 11.490 -3.320 -2.497 189 H VAL 26 H VAL 26 9.097 -2.772 -3.607 190 HA VAL 26 HA VAL 26 6.903 -1.036 -3.042 191 HB VAL 26 HB VAL 26 7.063 -4.044 -2.722 192 HG11 VAL 26 1HG1 VAL 26 4.612 -3.975 -2.889 193 HG12 VAL 26 2HG1 VAL 26 4.666 -2.213 -2.926 194 HG13 VAL 26 3HG1 VAL 26 5.192 -3.082 -1.484 195 HG21 VAL 26 3HG2 VAL 26 7.581 -3.331 -5.009 196 HG22 VAL 26 1HG2 VAL 26 6.088 -2.394 -5.062 197 HG23 VAL 26 2HG2 VAL 26 6.022 -4.153 -4.936 198 H ILE 27 H ILE 27 6.574 -0.044 -1.164 199 HA ILE 27 HA ILE 27 7.365 -1.335 1.357 200 HB ILE 27 HB ILE 27 6.879 0.877 2.401 201 HG12 ILE 27 2HG1 ILE 27 6.458 1.780 -0.471 202 HG13 ILE 27 1HG1 ILE 27 5.215 1.700 0.772 203 HG21 ILE 27 1HG2 ILE 27 9.143 0.309 1.726 204 HG22 ILE 27 2HG2 ILE 27 8.848 2.026 1.456 205 HG23 ILE 27 3HG2 ILE 27 8.836 0.904 0.094 206 HD11 ILE 27 3HD1 ILE 27 6.367 3.436 2.044 207 HD12 ILE 27 1HD1 ILE 27 5.984 3.978 0.408 208 HD13 ILE 27 2HD1 ILE 27 7.631 3.499 0.812 209 H LEU 28 H LEU 28 4.553 -0.296 -0.446 210 HA LEU 28 HA LEU 28 2.803 -1.558 1.582 211 HG LEU 28 HG LEU 28 1.296 1.793 2.068 212 HB2 LEU 28 2HB LEU 28 2.512 1.026 0.125 213 HB3 LEU 28 1HB LEU 28 1.056 0.076 0.325 214 HD11 LEU 28 1HD1 LEU 28 1.527 -1.034 3.106 215 HD12 LEU 28 2HD1 LEU 28 0.049 -0.231 2.575 216 HD13 LEU 28 3HD1 LEU 28 0.900 0.348 4.008 217 HD21 LEU 28 3HD2 LEU 28 3.746 0.256 2.926 218 HD22 LEU 28 1HD2 LEU 28 3.018 1.622 3.769 219 HD23 LEU 28 2HD2 LEU 28 3.743 1.853 2.178 220 H THR 29 H THR 29 1.715 -3.284 0.843 221 HA THR 29 HA THR 29 1.285 -3.571 -2.076 222 HB THR 29 HB THR 29 1.652 -5.822 -0.071 223 HG1 THR 29 HG1 THR 29 3.521 -4.321 -0.982 224 HG21 THR 29 3HG2 THR 29 0.245 -6.421 -2.007 225 HG22 THR 29 1HG2 THR 29 1.794 -7.266 -2.041 226 HG23 THR 29 2HG2 THR 29 1.524 -5.878 -3.094 227 H SER 30 H SER 30 -0.829 -3.516 -2.650 228 HA SER 30 HA SER 30 -2.898 -3.990 -0.647 229 HG SER 30 HG SER 30 -5.241 -2.389 -2.272 230 HB2 SER 30 2HB SER 30 -3.137 -2.101 -2.235 231 HB3 SER 30 1HB SER 30 -3.203 -3.251 -3.572 232 H GLU 31 H GLU 31 -4.943 -5.214 -1.715 233 HA GLU 31 HA GLU 31 -3.884 -7.792 -2.683 234 HB2 GLU 31 2HB GLU 31 -5.641 -8.935 -1.359 235 HB3 GLU 31 1HB GLU 31 -4.458 -8.088 -0.383 236 HG2 GLU 31 2HG GLU 31 -6.070 -6.244 -0.072 237 HG3 GLU 31 1HG GLU 31 -7.262 -7.163 -0.993 238 H LEU 32 H LEU 32 -6.575 -8.981 -2.881 239 HA LEU 32 HA LEU 32 -6.680 -8.320 -5.678 240 HG LEU 32 HG LEU 32 -5.937 -10.925 -3.826 241 HB2 LEU 32 2HB LEU 32 -8.271 -10.384 -4.162 242 HB3 LEU 32 1HB LEU 32 -8.046 -10.304 -5.901 243 HD11 LEU 32 1HD1 LEU 32 -7.443 -12.782 -4.330 244 HD12 LEU 32 2HD1 LEU 32 -5.817 -13.092 -4.936 245 HD13 LEU 32 3HD1 LEU 32 -7.095 -12.607 -6.050 246 HD21 LEU 32 3HD2 LEU 32 -4.377 -11.192 -5.683 247 HD22 LEU 32 1HD2 LEU 32 -4.982 -9.537 -5.603 248 HD23 LEU 32 2HD2 LEU 32 -5.615 -10.651 -6.816 249 H TYR 33 H TYR 33 -7.875 -6.679 -6.395 250 HA TYR 33 HA TYR 33 -10.682 -6.391 -5.534 251 HD1 TYR 33 HD2 TYR 33 -7.116 -4.506 -5.852 252 HD2 TYR 33 HD1 TYR 33 -11.022 -3.340 -4.624 253 HE1 TYR 33 HE2 TYR 33 -6.149 -3.292 -3.951 254 HE2 TYR 33 HE1 TYR 33 -10.061 -2.121 -2.715 255 HH TYR 33 HH TYR 33 -7.969 -2.207 -1.341 256 HB2 TYR 33 2HB TYR 33 -9.052 -4.629 -7.394 257 HB3 TYR 33 1HB TYR 33 -10.674 -4.291 -6.805 258 H THR 34 H THR 34 -12.391 -6.771 -6.987 259 HA THR 34 HA THR 34 -11.776 -8.394 -9.307 260 HB THR 34 HB THR 34 -14.256 -8.534 -9.598 261 HG1 THR 34 HG1 THR 34 -14.946 -6.589 -8.698 262 HG21 THR 34 3HG2 THR 34 -14.663 -9.864 -7.580 263 HG22 THR 34 1HG2 THR 34 -13.244 -9.153 -6.813 264 HG23 THR 34 2HG2 THR 34 -13.057 -10.181 -8.234 265 H GLY 35 H GLY 35 -12.226 -5.057 -8.806 266 HA2 GLY 35 2HA GLY 35 -12.463 -4.661 -11.727 267 HA3 GLY 35 1HA GLY 35 -13.464 -3.730 -10.625 268 H LYS 36 H LYS 36 -11.326 -2.951 -12.595 269 HA LYS 36 HA LYS 36 -9.048 -2.045 -11.169 270 HB2 LYS 36 2HB LYS 36 -8.967 -2.324 -13.580 271 HB3 LYS 36 1HB LYS 36 -10.223 -1.112 -13.799 272 HG2 LYS 36 2HG LYS 36 -8.738 0.620 -12.953 273 HG3 LYS 36 1HG LYS 36 -7.485 -0.581 -12.648 274 HD2 LYS 36 2HD LYS 36 -8.631 0.089 -15.366 275 HD3 LYS 36 1HD LYS 36 -7.104 0.700 -14.730 276 HE2 LYS 36 2HE LYS 36 -6.363 -1.703 -14.498 277 HE3 LYS 36 1HE LYS 36 -7.815 -2.156 -15.392 278 HZ1 LYS 36 3HZ LYS 36 -5.637 -0.394 -16.375 279 HZ2 LYS 36 1HZ LYS 36 -7.037 -0.786 -17.240 280 HZ3 LYS 36 2HZ LYS 36 -5.919 -1.992 -16.854 281 H SER 37 H SER 37 -12.177 -0.584 -11.859 282 HA SER 37 HA SER 37 -11.667 2.072 -11.188 283 HG SER 37 HG SER 37 -14.619 2.474 -9.806 284 HB2 SER 37 2HB SER 37 -13.795 1.264 -12.185 285 HB3 SER 37 1HB SER 37 -14.224 0.536 -10.638 286 H GLY 38 H GLY 38 -12.812 -0.545 -9.023 287 HA2 GLY 38 2HA GLY 38 -12.699 0.996 -6.638 288 HA3 GLY 38 1HA GLY 38 -12.726 -0.761 -6.731 289 H ALA 39 H ALA 39 -10.291 -1.077 -8.224 290 HA ALA 39 HA ALA 39 -8.328 -1.043 -6.220 291 HB1 ALA 39 3HB ALA 39 -8.217 -2.511 -8.176 292 HB2 ALA 39 1HB ALA 39 -6.734 -1.574 -8.000 293 HB3 ALA 39 2HB ALA 39 -7.928 -1.117 -9.215 294 H MET 40 H MET 40 -8.667 1.124 -9.049 295 HA MET 40 HA MET 40 -6.634 2.933 -8.301 296 HB2 MET 40 2HB MET 40 -9.094 3.410 -10.005 297 HB3 MET 40 1HB MET 40 -7.719 4.502 -9.894 298 HG2 MET 40 2HG MET 40 -6.264 2.721 -10.788 299 HG3 MET 40 1HG MET 40 -7.680 1.686 -10.964 300 HE1 MET 40 3HE MET 40 -7.016 5.597 -13.330 301 HE2 MET 40 1HE MET 40 -5.839 4.920 -12.205 302 HE3 MET 40 2HE MET 40 -7.367 5.563 -11.602 303 H ASN 41 H ASN 41 -10.121 2.902 -7.659 304 HA ASN 41 HA ASN 41 -10.456 5.250 -6.236 305 HB2 ASN 41 2HB ASN 41 -12.176 3.430 -6.824 306 HB3 ASN 41 1HB ASN 41 -11.652 2.604 -5.365 307 HD21 ASN 41 1HD2 ASN 41 -11.322 5.111 -3.852 308 HD22 ASN 41 2HD2 ASN 41 -12.918 5.650 -3.512 309 H GLY 42 H GLY 42 -9.224 2.115 -5.065 310 HA2 GLY 42 2HA GLY 42 -8.589 2.863 -2.431 311 HA3 GLY 42 1HA GLY 42 -7.787 1.602 -3.355 312 H ILE 43 H ILE 43 -6.689 3.191 -5.430 313 HA ILE 43 HA ILE 43 -4.274 4.050 -4.255 314 HB ILE 43 HB ILE 43 -5.403 4.733 -6.982 315 HG12 ILE 43 2HG1 ILE 43 -3.427 2.588 -6.134 316 HG13 ILE 43 1HG1 ILE 43 -5.105 2.310 -6.593 317 HG21 ILE 43 1HG2 ILE 43 -3.678 6.333 -6.359 318 HG22 ILE 43 2HG2 ILE 43 -3.089 5.258 -7.627 319 HG23 ILE 43 3HG2 ILE 43 -2.576 5.015 -5.956 320 HD11 ILE 43 3HD1 ILE 43 -2.932 3.378 -8.385 321 HD12 ILE 43 1HD1 ILE 43 -4.614 3.111 -8.851 322 HD13 ILE 43 2HD1 ILE 43 -3.595 1.744 -8.401 323 H GLU 44 H GLU 44 -6.966 5.980 -5.596 324 HA GLU 44 HA GLU 44 -6.034 8.528 -4.937 325 HB2 GLU 44 2HB GLU 44 -8.898 7.541 -4.924 326 HB3 GLU 44 1HB GLU 44 -8.401 9.226 -4.979 327 HG2 GLU 44 2HG GLU 44 -7.307 8.809 -7.151 328 HG3 GLU 44 1HG GLU 44 -7.880 7.142 -7.096 329 H SER 45 H SER 45 -7.775 6.156 -2.981 330 HA SER 45 HA SER 45 -8.126 7.751 -0.669 331 HG SER 45 HG SER 45 -9.618 5.539 -2.073 332 HB2 SER 45 2HB SER 45 -7.861 4.736 -0.866 333 HB3 SER 45 1HB SER 45 -8.475 5.620 0.531 334 H VAL 46 H VAL 46 -5.484 5.589 -1.681 335 HA VAL 46 HA VAL 46 -3.887 5.801 0.626 336 HB VAL 46 HB VAL 46 -2.972 5.455 -2.245 337 HG11 VAL 46 1HG1 VAL 46 -1.120 6.158 -0.834 338 HG12 VAL 46 2HG1 VAL 46 -0.940 4.456 -1.262 339 HG13 VAL 46 3HG1 VAL 46 -1.511 4.906 0.346 340 HG21 VAL 46 3HG2 VAL 46 -4.538 3.715 -1.555 341 HG22 VAL 46 1HG2 VAL 46 -3.569 3.393 -0.117 342 HG23 VAL 46 2HG2 VAL 46 -2.910 3.059 -1.720 343 H GLN 47 H GLN 47 -3.815 7.731 -2.389 344 HA GLN 47 HA GLN 47 -1.882 9.604 -1.675 345 HB2 GLN 47 2HB GLN 47 -4.369 9.965 -3.368 346 HB3 GLN 47 1HB GLN 47 -3.062 11.139 -3.279 347 HG2 GLN 47 2HG GLN 47 -1.506 9.515 -4.206 348 HG3 GLN 47 1HG GLN 47 -2.776 8.293 -4.233 349 HE21 GLN 47 1HE2 GLN 47 -1.159 9.456 -6.405 350 HE22 GLN 47 2HE2 GLN 47 -2.303 10.059 -7.554 351 H THR 48 H THR 48 -5.284 9.465 -0.785 352 HA THR 48 HA THR 48 -5.366 12.047 0.472 353 HB THR 48 HB THR 48 -7.236 9.695 0.888 354 HG1 THR 48 HG1 THR 48 -7.040 10.532 -1.338 355 HG21 THR 48 3HG2 THR 48 -7.617 12.648 1.419 356 HG22 THR 48 1HG2 THR 48 -7.448 11.384 2.639 357 HG23 THR 48 2HG2 THR 48 -8.860 11.406 1.583 358 H ASN 49 H ASN 49 -4.776 8.745 1.587 359 HA ASN 49 HA ASN 49 -4.833 9.463 4.386 360 HB2 ASN 49 2HB ASN 49 -4.066 6.881 3.010 361 HB3 ASN 49 1HB ASN 49 -4.180 7.089 4.756 362 HD21 ASN 49 1HD2 ASN 49 -5.656 5.255 3.214 363 HD22 ASN 49 2HD2 ASN 49 -7.320 5.661 3.378 364 H SER 50 H SER 50 -2.348 9.106 1.953 365 HA SER 50 HA SER 50 -0.109 8.457 3.382 366 HG SER 50 HG SER 50 1.942 9.332 2.371 367 HB2 SER 50 2HB SER 50 0.039 8.718 1.000 368 HB3 SER 50 1HB SER 50 -0.343 10.435 1.106 369 HA PRO 51 HA PRO 51 0.625 12.950 4.954 370 HB2 PRO 51 2HB PRO 51 -1.313 14.810 4.700 371 HB3 PRO 51 1HB PRO 51 -0.133 14.507 3.418 372 HG2 PRO 51 2HG PRO 51 -2.955 13.512 3.666 373 HG3 PRO 51 1HG PRO 51 -2.133 14.188 2.247 374 HD2 PRO 51 2HD PRO 51 -2.446 11.515 2.634 375 HD3 PRO 51 1HD PRO 51 -1.063 12.208 1.763 376 H ILE 52 H ILE 52 -2.513 11.440 5.221 377 HA ILE 52 HA ILE 52 -2.963 12.491 7.922 378 HB ILE 52 HB ILE 52 -4.766 10.727 6.240 379 HG12 ILE 52 2HG1 ILE 52 -4.907 13.718 6.750 380 HG13 ILE 52 1HG1 ILE 52 -4.400 12.967 5.240 381 HG21 ILE 52 1HG2 ILE 52 -6.517 11.370 7.855 382 HG22 ILE 52 2HG2 ILE 52 -5.310 12.234 8.809 383 HG23 ILE 52 3HG2 ILE 52 -5.201 10.482 8.625 384 HD11 ILE 52 3HD1 ILE 52 -6.617 12.014 4.952 385 HD12 ILE 52 1HD1 ILE 52 -6.697 13.766 5.128 386 HD13 ILE 52 2HD1 ILE 52 -7.134 12.725 6.481 387 H GLU 53 H GLU 53 -1.479 11.394 9.165 388 HA GLU 53 HA GLU 53 -0.666 8.758 8.998 389 HB2 GLU 53 2HB GLU 53 0.511 10.348 10.380 390 HB3 GLU 53 1HB GLU 53 -0.892 10.557 11.418 391 HG2 GLU 53 2HG GLU 53 -0.652 8.099 12.009 392 HG3 GLU 53 1HG GLU 53 0.916 8.163 11.206 393 H ALA 54 H ALA 54 -3.502 10.051 10.670 394 HA ALA 54 HA ALA 54 -3.960 7.815 12.344 395 HB1 ALA 54 3HB ALA 54 -6.081 8.868 12.873 396 HB2 ALA 54 1HB ALA 54 -5.915 9.940 11.480 397 HB3 ALA 54 2HB ALA 54 -4.786 10.066 12.829 398 H ARG 55 H ARG 55 -4.080 7.549 9.135 399 HA ARG 55 HA ARG 55 -6.541 5.922 9.092 400 HE ARG 55 HE ARG 55 -8.734 8.869 9.119 401 HB2 ARG 55 2HB ARG 55 -4.896 7.078 6.828 402 HB3 ARG 55 1HB ARG 55 -6.286 6.022 6.601 403 HG2 ARG 55 2HG ARG 55 -6.447 8.634 8.091 404 HG3 ARG 55 1HG ARG 55 -6.714 8.501 6.352 405 HD2 ARG 55 2HD ARG 55 -8.691 7.337 6.608 406 HD3 ARG 55 1HD ARG 55 -8.239 6.700 8.188 407 HH11 ARG 55 1HH1 ARG 55 -9.862 8.420 5.891 408 HH12 ARG 55 2HH1 ARG 55 -11.130 9.579 6.083 409 HH21 ARG 55 1HH2 ARG 55 -10.315 10.368 9.308 410 HH22 ARG 55 2HH2 ARG 55 -11.374 10.674 7.972 411 H TYR 56 H TYR 56 -3.417 5.433 9.790 412 HA TYR 56 HA TYR 56 -3.038 2.976 8.260 413 HD1 TYR 56 HD1 TYR 56 -2.669 5.354 11.282 414 HD2 TYR 56 HD2 TYR 56 0.743 2.846 10.829 415 HE1 TYR 56 HE1 TYR 56 -2.003 5.849 13.595 416 HE2 TYR 56 HE2 TYR 56 1.413 3.337 13.142 417 HH TYR 56 HH TYR 56 1.038 5.214 14.809 418 HB2 TYR 56 2HB TYR 56 -0.833 2.913 9.105 419 HB3 TYR 56 1HB TYR 56 -1.158 4.620 8.837 420 H ALA 57 H ALA 57 -2.355 0.983 9.477 421 HA ALA 57 HA ALA 57 -3.849 0.650 12.005 422 HB1 ALA 57 3HB ALA 57 -3.577 -1.395 9.797 423 HB2 ALA 57 1HB ALA 57 -5.023 -0.446 10.146 424 HB3 ALA 57 2HB ALA 57 -4.429 -1.618 11.324 425 H LYS 58 H LYS 58 -2.335 0.549 13.531 426 HA LYS 58 HA LYS 58 0.327 -0.445 13.051 427 HB2 LYS 58 2HB LYS 58 -0.213 1.509 14.513 428 HB3 LYS 58 1HB LYS 58 -0.991 0.414 15.642 429 HG2 LYS 58 2HG LYS 58 1.202 0.999 16.439 430 HG3 LYS 58 1HG LYS 58 1.166 -0.712 16.015 431 HD2 LYS 58 2HD LYS 58 2.473 -0.391 14.101 432 HD3 LYS 58 1HD LYS 58 2.126 1.341 14.037 433 HE2 LYS 58 2HE LYS 58 4.439 0.807 14.793 434 HE3 LYS 58 1HE LYS 58 3.512 1.754 15.953 435 HZ1 LYS 58 3HZ LYS 58 4.084 -1.157 16.088 436 HZ2 LYS 58 1HZ LYS 58 3.040 -0.347 17.140 437 HZ3 LYS 58 2HZ LYS 58 4.681 0.045 17.110 438 H GLU 59 H GLU 59 1.044 -2.489 13.368 439 HA GLU 59 HA GLU 59 0.021 -4.165 15.463 440 HB2 GLU 59 2HB GLU 59 -1.760 -4.509 13.852 441 HB3 GLU 59 1HB GLU 59 -0.598 -4.885 12.587 442 HG2 GLU 59 2HG GLU 59 0.007 -6.937 13.652 443 HG3 GLU 59 1HG GLU 59 -0.915 -6.524 15.096 444 H VAL 60 H VAL 60 1.290 -5.997 15.875 445 HA VAL 60 HA VAL 60 3.744 -6.282 14.243 446 HB VAL 60 HB VAL 60 3.514 -6.711 17.239 447 HG11 VAL 60 1HG1 VAL 60 5.926 -6.771 15.416 448 HG12 VAL 60 2HG1 VAL 60 5.179 -8.162 16.201 449 HG13 VAL 60 3HG1 VAL 60 5.963 -6.918 17.175 450 HG21 VAL 60 3HG2 VAL 60 4.899 -4.693 17.461 451 HG22 VAL 60 1HG2 VAL 60 3.352 -4.336 16.691 452 HG23 VAL 60 2HG2 VAL 60 4.817 -4.447 15.716 453 H ALA 61 H ALA 61 4.337 -8.348 13.666 454 HA ALA 61 HA ALA 61 2.342 -10.421 13.960 455 HB1 ALA 61 3HB ALA 61 3.500 -10.055 11.824 456 HB2 ALA 61 1HB ALA 61 3.724 -11.700 12.420 457 HB3 ALA 61 2HB ALA 61 5.025 -10.519 12.578 458 H LYS 62 H LYS 62 2.754 -12.570 14.752 459 HA LYS 62 HA LYS 62 4.018 -12.668 17.272 460 HB2 LYS 62 2HB LYS 62 3.166 -14.966 15.492 461 HB3 LYS 62 1HB LYS 62 3.558 -15.092 17.202 462 HG2 LYS 62 2HG LYS 62 1.679 -13.577 17.721 463 HG3 LYS 62 1HG LYS 62 1.262 -13.541 16.006 464 HD2 LYS 62 2HD LYS 62 0.897 -15.971 16.048 465 HD3 LYS 62 1HD LYS 62 1.317 -16.005 17.762 466 HE2 LYS 62 2HE LYS 62 -0.592 -14.495 18.222 467 HE3 LYS 62 1HE LYS 62 -1.032 -14.569 16.515 468 HZ1 LYS 62 3HZ LYS 62 -0.978 -16.844 18.423 469 HZ2 LYS 62 1HZ LYS 62 -1.290 -16.985 16.767 470 HZ3 LYS 62 2HZ LYS 62 -2.352 -16.120 17.751 471 H ASN 63 H ASN 63 5.281 -13.107 14.114 472 HA ASN 63 HA ASN 63 7.636 -14.584 14.927 473 HB2 ASN 63 2HB ASN 63 7.082 -13.121 12.334 474 HB3 ASN 63 1HB ASN 63 8.375 -14.284 12.616 475 HD21 ASN 63 1HD2 ASN 63 6.250 -14.361 10.665 476 HD22 ASN 63 2HD2 ASN 63 5.377 -15.819 10.955 477 H ASP 64 H ASP 64 6.838 -11.707 15.880 478 HA ASP 64 HA ASP 64 7.897 -9.855 16.630 479 HB2 ASP 64 2HB ASP 64 10.468 -11.268 15.878 480 HB3 ASP 64 1HB ASP 64 10.307 -9.893 16.970 481 H LYS 65 H LYS 65 7.308 -10.380 13.698 482 HA LYS 65 HA LYS 65 9.029 -8.402 12.401 483 HB2 LYS 65 2HB LYS 65 6.940 -10.332 11.390 484 HB3 LYS 65 1HB LYS 65 7.590 -9.054 10.370 485 HG2 LYS 65 2HG LYS 65 9.812 -9.967 10.549 486 HG3 LYS 65 1HG LYS 65 9.265 -11.172 11.718 487 HD2 LYS 65 2HD LYS 65 8.048 -12.360 10.094 488 HD3 LYS 65 1HD LYS 65 8.075 -11.013 8.959 489 HE2 LYS 65 2HE LYS 65 10.475 -12.640 9.804 490 HE3 LYS 65 1HE LYS 65 9.595 -12.827 8.288 491 HZ1 LYS 65 3HZ LYS 65 10.150 -10.409 7.881 492 HZ2 LYS 65 1HZ LYS 65 11.444 -11.498 7.800 493 HZ3 LYS 65 2HZ LYS 65 11.241 -10.529 9.166 494 HA PRO 66 HA PRO 66 5.719 -5.449 13.396 495 HB2 PRO 66 2HB PRO 66 7.179 -3.215 13.036 496 HB3 PRO 66 1HB PRO 66 7.362 -4.230 14.473 497 HG2 PRO 66 2HG PRO 66 9.059 -4.124 12.003 498 HG3 PRO 66 1HG PRO 66 9.562 -4.203 13.701 499 HD2 PRO 66 2HD PRO 66 9.478 -6.381 12.046 500 HD3 PRO 66 1HD PRO 66 9.274 -6.481 13.807 501 H TYR 67 H TYR 67 4.214 -4.597 12.042 502 HA TYR 67 HA TYR 67 4.982 -3.429 9.498 503 HD1 TYR 67 HD2 TYR 67 4.024 -7.361 10.758 504 HD2 TYR 67 HD1 TYR 67 1.162 -5.011 8.642 505 HE1 TYR 67 HE2 TYR 67 2.211 -8.778 11.635 506 HE2 TYR 67 HE1 TYR 67 -0.646 -6.422 9.513 507 HH TYR 67 HH TYR 67 -1.080 -8.456 10.478 508 HB2 TYR 67 2HB TYR 67 3.525 -4.821 8.132 509 HB3 TYR 67 1HB TYR 67 4.715 -5.831 8.942 510 H PHE 68 H PHE 68 2.672 -2.921 8.295 511 HA PHE 68 HA PHE 68 0.571 -2.274 10.171 512 HD1 PHE 68 HD2 PHE 68 4.102 -0.608 8.948 513 HD2 PHE 68 HD1 PHE 68 0.488 1.246 7.653 514 HE1 PHE 68 HE2 PHE 68 5.316 0.476 7.103 515 HE2 PHE 68 HE1 PHE 68 1.703 2.331 5.813 516 HZ PHE 68 HZ PHE 68 4.118 1.948 5.537 517 HB2 PHE 68 2HB PHE 68 0.547 0.134 9.727 518 HB3 PHE 68 1HB PHE 68 2.076 -0.349 10.450 519 H ASN 69 H ASN 69 -1.415 -1.803 9.201 520 HA ASN 69 HA ASN 69 -1.556 -2.332 6.294 521 HB2 ASN 69 2HB ASN 69 -3.754 -2.514 8.379 522 HB3 ASN 69 1HB ASN 69 -3.901 -2.949 6.679 523 HD21 ASN 69 1HD2 ASN 69 -2.945 -4.862 5.950 524 HD22 ASN 69 2HD2 ASN 69 -2.409 -6.086 7.042 525 H LEU 70 H LEU 70 -2.974 -1.011 4.995 526 HA LEU 70 HA LEU 70 -3.451 1.675 6.133 527 HG LEU 70 HG LEU 70 -4.228 3.029 3.419 528 HB2 LEU 70 2HB LEU 70 -1.742 1.565 4.337 529 HB3 LEU 70 1HB LEU 70 -2.956 0.923 3.248 530 HD11 LEU 70 1HD1 LEU 70 -1.924 3.976 5.125 531 HD12 LEU 70 2HD1 LEU 70 -3.579 3.696 5.670 532 HD13 LEU 70 3HD1 LEU 70 -3.237 4.984 4.515 533 HD21 LEU 70 3HD2 LEU 70 -2.672 4.442 2.164 534 HD22 LEU 70 1HD2 LEU 70 -2.591 2.764 1.630 535 HD23 LEU 70 2HD2 LEU 70 -1.329 3.418 2.674 536 H LYS 71 H LYS 71 -5.502 2.310 6.299 537 HA LYS 71 HA LYS 71 -7.565 0.856 4.748 538 HB2 LYS 71 2HB LYS 71 -7.782 1.996 7.546 539 HB3 LYS 71 1HB LYS 71 -9.086 1.217 6.663 540 HG2 LYS 71 2HG LYS 71 -7.819 -0.881 6.648 541 HG3 LYS 71 1HG LYS 71 -6.518 -0.094 7.547 542 HD2 LYS 71 2HD LYS 71 -8.083 0.353 9.396 543 HD3 LYS 71 1HD LYS 71 -9.366 -0.462 8.499 544 HE2 LYS 71 2HE LYS 71 -8.060 -2.545 8.545 545 HE3 LYS 71 1HE LYS 71 -6.794 -1.726 9.460 546 HZ1 LYS 71 3HZ LYS 71 -8.381 -1.347 11.240 547 HZ2 LYS 71 1HZ LYS 71 -8.250 -2.997 10.902 548 HZ3 LYS 71 2HZ LYS 71 -9.594 -2.131 10.362 549 H ALA 72 H ALA 72 -9.252 2.027 3.845 550 HA ALA 72 HA ALA 72 -8.932 4.895 3.604 551 HB1 ALA 72 3HB ALA 72 -9.703 3.531 1.702 552 HB2 ALA 72 1HB ALA 72 -10.854 4.801 2.119 553 HB3 ALA 72 2HB ALA 72 -11.169 3.134 2.597 554 H ALA 73 H ALA 73 -11.180 6.177 3.806 555 HA ALA 73 HA ALA 73 -11.608 6.501 6.541 556 HB1 ALA 73 3HB ALA 73 -13.470 7.975 5.916 557 HB2 ALA 73 1HB ALA 73 -13.375 7.374 4.260 558 HB3 ALA 73 2HB ALA 73 -12.022 8.272 4.953 559 H ASN 74 H ASN 74 -13.489 4.591 4.226 560 HA ASN 74 HA ASN 74 -15.586 3.963 6.095 561 HB2 ASN 74 2HB ASN 74 -15.826 4.005 3.575 562 HB3 ASN 74 1HB ASN 74 -14.922 2.497 3.532 563 HD21 ASN 74 1HD2 ASN 74 -16.696 1.412 2.623 564 HD22 ASN 74 2HD2 ASN 74 -18.081 1.000 3.568 565 H HIS 75 H HIS 75 -12.468 3.071 6.146 566 HA HIS 75 HA HIS 75 -11.330 1.630 7.497 567 HD1 HIS 75 HD1 HIS 75 -15.116 2.575 9.113 568 HD2 HIS 75 HD2 HIS 75 -11.293 1.874 10.583 569 HE1 HIS 75 HE1 HIS 75 -14.820 4.181 11.013 570 HE2 HIS 75 HE2 HIS 75 -12.442 3.870 11.754 571 HB2 HIS 75 2HB HIS 75 -14.061 0.501 8.134 572 HB3 HIS 75 1HB HIS 75 -12.568 -0.072 8.870 573 H GLN 76 H GLN 76 -12.314 1.072 4.648 574 HA GLN 76 HA GLN 76 -12.135 -1.801 4.408 575 HB2 GLN 76 2HB GLN 76 -12.353 -1.421 2.026 576 HB3 GLN 76 1HB GLN 76 -13.511 -0.405 2.877 577 HG2 GLN 76 2HG GLN 76 -11.674 1.417 2.697 578 HG3 GLN 76 1HG GLN 76 -11.007 0.385 1.436 579 HE21 GLN 76 1HE2 GLN 76 -13.570 2.497 2.347 580 HE22 GLN 76 2HE2 GLN 76 -14.321 2.608 0.795 581 H ILE 77 H ILE 77 -10.390 -2.996 3.636 582 HA ILE 77 HA ILE 77 -7.774 -1.917 4.100 583 HB ILE 77 HB ILE 77 -8.605 -4.580 2.925 584 HG12 ILE 77 2HG1 ILE 77 -9.346 -4.218 5.259 585 HG13 ILE 77 1HG1 ILE 77 -8.133 -5.487 5.147 586 HG21 ILE 77 1HG2 ILE 77 -6.308 -5.320 3.426 587 HG22 ILE 77 2HG2 ILE 77 -5.887 -3.672 3.895 588 HG23 ILE 77 3HG2 ILE 77 -6.340 -4.026 2.227 589 HD11 ILE 77 3HD1 ILE 77 -7.755 -4.068 7.075 590 HD12 ILE 77 1HD1 ILE 77 -7.641 -2.652 6.032 591 HD13 ILE 77 2HD1 ILE 77 -6.425 -3.928 5.925 592 H ILE 78 H ILE 78 -6.894 -0.524 2.689 593 HA ILE 78 HA ILE 78 -7.164 -1.068 -0.202 594 HB ILE 78 HB ILE 78 -6.466 1.263 -0.588 595 HG12 ILE 78 2HG1 ILE 78 -6.564 1.517 2.436 596 HG13 ILE 78 1HG1 ILE 78 -5.102 1.570 1.453 597 HG21 ILE 78 1HG2 ILE 78 -8.525 2.343 0.222 598 HG22 ILE 78 2HG2 ILE 78 -8.806 0.978 1.302 599 HG23 ILE 78 3HG2 ILE 78 -8.840 0.741 -0.445 600 HD11 ILE 78 3HD1 ILE 78 -5.954 3.604 0.359 601 HD12 ILE 78 1HD1 ILE 78 -5.757 3.789 2.100 602 HD13 ILE 78 2HD1 ILE 78 -7.366 3.556 1.418 603 H GLY 79 H GLY 79 -4.934 -1.190 2.378 604 HA2 GLY 79 2HA GLY 79 -2.861 -2.079 0.554 605 HA3 GLY 79 1HA GLY 79 -2.480 -0.599 1.417 606 H THR 80 H THR 80 -1.098 -3.133 1.565 607 HA THR 80 HA THR 80 -1.067 -3.347 4.487 608 HB THR 80 HB THR 80 -1.274 -5.760 2.656 609 HG1 THR 80 HG1 THR 80 -3.241 -4.604 3.423 610 HG21 THR 80 3HG2 THR 80 0.413 -6.178 4.387 611 HG22 THR 80 1HG2 THR 80 -1.044 -7.122 4.706 612 HG23 THR 80 2HG2 THR 80 -0.719 -5.657 5.634 613 H SER 81 H SER 81 0.997 -3.123 5.180 614 HA SER 81 HA SER 81 3.150 -3.014 3.270 615 HG SER 81 HG SER 81 5.098 -1.700 4.459 616 HB2 SER 81 2HB SER 81 3.044 -1.461 5.193 617 HB3 SER 81 1HB SER 81 3.264 -2.821 6.295 618 H GLN 82 H GLN 82 5.310 -4.080 3.906 619 HA GLN 82 HA GLN 82 4.831 -6.955 3.942 620 HB2 GLN 82 2HB GLN 82 7.375 -5.372 3.476 621 HB3 GLN 82 1HB GLN 82 7.219 -7.116 3.301 622 HG2 GLN 82 2HG GLN 82 5.584 -6.792 1.508 623 HG3 GLN 82 1HG GLN 82 5.745 -5.045 1.678 624 HE21 GLN 82 1HE2 GLN 82 8.640 -5.194 2.123 625 HE22 GLN 82 2HE2 GLN 82 9.336 -5.525 0.582 626 H MET 83 H MET 83 6.084 -8.419 5.304 627 HA MET 83 HA MET 83 6.199 -7.460 8.023 628 HB2 MET 83 2HB MET 83 6.747 -10.192 6.851 629 HB3 MET 83 1HB MET 83 6.749 -9.832 8.573 630 HG2 MET 83 2HG MET 83 4.650 -10.832 7.955 631 HG3 MET 83 1HG MET 83 4.390 -9.149 8.415 632 HE1 MET 83 3HE MET 83 1.657 -9.631 5.675 633 HE2 MET 83 1HE MET 83 1.998 -9.133 7.331 634 HE3 MET 83 2HE MET 83 2.175 -10.824 6.863 635 H TYR 84 H TYR 84 7.921 -5.951 7.868 636 HA TYR 84 HA TYR 84 10.570 -6.570 7.128 637 HD1 TYR 84 HD2 TYR 84 11.760 -3.956 6.190 638 HD2 TYR 84 HD1 TYR 84 7.733 -3.714 7.558 639 HE1 TYR 84 HE2 TYR 84 11.183 -2.587 4.233 640 HE2 TYR 84 HE1 TYR 84 7.149 -2.344 5.603 641 HH TYR 84 HH TYR 84 9.242 -1.978 2.924 642 HB2 TYR 84 2HB TYR 84 9.504 -4.473 9.041 643 HB3 TYR 84 1HB TYR 84 11.176 -4.547 8.495 644 H SER 85 H SER 85 12.444 -6.954 8.423 645 HA SER 85 HA SER 85 11.859 -8.539 10.833 646 HG SER 85 HG SER 85 13.683 -10.603 8.651 647 HB2 SER 85 2HB SER 85 14.340 -8.425 9.093 648 HB3 SER 85 1HB SER 85 14.175 -9.429 10.535 649 H SER 86 H SER 86 12.256 -5.456 10.533 650 HA SER 86 HA SER 86 13.443 -5.219 13.154 651 HG SER 86 HG SER 86 15.568 -3.555 10.133 652 HB2 SER 86 2HB SER 86 15.173 -3.620 12.600 653 HB3 SER 86 1HB SER 86 15.432 -5.073 11.637 654 H THR 87 H THR 87 12.623 -3.525 14.293 655 HA THR 87 HA THR 87 10.405 -2.064 13.406 656 HB THR 87 HB THR 87 10.738 -0.614 15.389 657 HG1 THR 87 HG1 THR 87 12.578 -1.165 16.756 658 HG21 THR 87 3HG2 THR 87 11.197 -3.554 15.941 659 HG22 THR 87 1HG2 THR 87 9.632 -2.783 15.677 660 HG23 THR 87 2HG2 THR 87 10.589 -2.373 17.102 661 H ALA 88 H ALA 88 13.831 -1.242 13.419 662 HA ALA 88 HA ALA 88 13.664 1.460 12.708 663 HB1 ALA 88 3HB ALA 88 15.713 0.399 13.515 664 HB2 ALA 88 1HB ALA 88 15.987 1.238 11.988 665 HB3 ALA 88 2HB ALA 88 15.835 -0.520 12.016 666 H ALA 89 H ALA 89 14.028 -1.398 10.569 667 HA ALA 89 HA ALA 89 14.023 0.031 8.136 668 HB1 ALA 89 3HB ALA 89 13.095 -2.805 8.603 669 HB2 ALA 89 1HB ALA 89 14.767 -2.309 8.341 670 HB3 ALA 89 2HB ALA 89 13.575 -2.098 7.059 671 H ARG 90 H ARG 90 11.386 -1.482 9.959 672 HA ARG 90 HA ARG 90 9.283 -0.867 8.180 673 HE ARG 90 HE ARG 90 7.446 1.023 11.632 674 HB2 ARG 90 2HB ARG 90 9.299 -2.471 10.189 675 HB3 ARG 90 1HB ARG 90 9.025 -1.058 11.190 676 HG2 ARG 90 2HG ARG 90 7.187 -1.884 8.946 677 HG3 ARG 90 1HG ARG 90 6.991 -2.420 10.612 678 HD2 ARG 90 2HD ARG 90 6.796 0.393 9.542 679 HD3 ARG 90 1HD ARG 90 5.517 -0.576 10.271 680 HH11 ARG 90 1HH1 ARG 90 5.504 -1.815 11.943 681 HH12 ARG 90 2HH1 ARG 90 5.558 -1.782 13.671 682 HH21 ARG 90 1HH2 ARG 90 7.465 1.066 13.828 683 HH22 ARG 90 2HH2 ARG 90 6.645 -0.165 14.723 684 H ASP 91 H ASP 91 10.709 0.930 10.884 685 HA ASP 91 HA ASP 91 8.883 3.074 10.942 686 HB2 ASP 91 2HB ASP 91 10.578 2.517 12.716 687 HB3 ASP 91 1HB ASP 91 11.827 3.176 11.662 688 H ASN 92 H ASN 92 12.118 2.895 9.408 689 HA ASN 92 HA ASN 92 11.965 5.267 7.932 690 HB2 ASN 92 2HB ASN 92 13.409 2.670 7.346 691 HB3 ASN 92 1HB ASN 92 13.615 4.127 6.376 692 HD21 ASN 92 1HD2 ASN 92 15.532 2.655 8.047 693 HD22 ASN 92 2HD2 ASN 92 16.143 3.812 9.177 694 H GLY 93 H GLY 93 10.586 2.093 7.302 695 HA2 GLY 93 2HA GLY 93 9.672 2.495 4.674 696 HA3 GLY 93 1HA GLY 93 8.912 1.447 5.865 697 H ILE 94 H ILE 94 8.042 3.194 7.782 698 HA ILE 94 HA ILE 94 5.707 4.332 6.702 699 HB ILE 94 HB ILE 94 7.064 4.974 9.333 700 HG12 ILE 94 2HG1 ILE 94 4.852 3.015 8.630 701 HG13 ILE 94 1HG1 ILE 94 6.492 2.604 9.119 702 HG21 ILE 94 1HG2 ILE 94 4.843 5.774 10.063 703 HG22 ILE 94 2HG2 ILE 94 4.242 5.557 8.420 704 HG23 ILE 94 3HG2 ILE 94 5.504 6.743 8.747 705 HD11 ILE 94 3HD1 ILE 94 4.415 3.954 10.834 706 HD12 ILE 94 1HD1 ILE 94 6.066 3.575 11.327 707 HD13 ILE 94 2HD1 ILE 94 4.941 2.275 10.941 708 H LYS 95 H LYS 95 8.758 5.909 7.721 709 HA LYS 95 HA LYS 95 8.179 8.533 6.983 710 HB2 LYS 95 2HB LYS 95 10.709 6.932 7.113 711 HB3 LYS 95 1HB LYS 95 10.764 8.503 6.330 712 HG2 LYS 95 2HG LYS 95 11.448 8.708 8.627 713 HG3 LYS 95 1HG LYS 95 9.922 9.553 8.384 714 HD2 LYS 95 2HD LYS 95 8.710 7.697 9.407 715 HD3 LYS 95 1HD LYS 95 10.218 6.795 9.590 716 HE2 LYS 95 2HE LYS 95 11.082 8.549 11.079 717 HE3 LYS 95 1HE LYS 95 9.573 9.447 10.896 718 HZ1 LYS 95 3HZ LYS 95 9.796 6.718 12.045 719 HZ2 LYS 95 1HZ LYS 95 8.390 7.656 11.952 720 HZ3 LYS 95 2HZ LYS 95 9.664 8.136 12.952 721 H SER 96 H SER 96 9.358 5.862 4.975 722 HA SER 96 HA SER 96 9.566 7.238 2.537 723 HG SER 96 HG SER 96 10.940 4.715 3.780 724 HB2 SER 96 2HB SER 96 8.907 4.322 3.043 725 HB3 SER 96 1HB SER 96 9.335 4.990 1.469 726 H VAL 97 H VAL 97 6.777 5.696 4.086 727 HA VAL 97 HA VAL 97 4.969 6.038 1.920 728 HB VAL 97 HB VAL 97 4.331 5.869 4.874 729 HG11 VAL 97 1HG1 VAL 97 2.129 5.066 4.144 730 HG12 VAL 97 2HG1 VAL 97 2.594 5.326 2.462 731 HG13 VAL 97 3HG1 VAL 97 2.444 6.700 3.558 732 HG21 VAL 97 3HG2 VAL 97 4.524 3.667 2.821 733 HG22 VAL 97 1HG2 VAL 97 4.000 3.478 4.495 734 HG23 VAL 97 2HG2 VAL 97 5.657 3.960 4.139 735 H MET 98 H MET 98 5.851 8.094 4.669 736 HA MET 98 HA MET 98 3.851 10.055 4.319 737 HB2 MET 98 2HB MET 98 6.614 10.395 5.510 738 HB3 MET 98 1HB MET 98 5.261 11.499 5.720 739 HG2 MET 98 2HG MET 98 5.430 8.658 6.703 740 HG3 MET 98 1HG MET 98 5.525 10.119 7.682 741 HE1 MET 98 3HE MET 98 3.256 11.941 6.339 742 HE2 MET 98 1HE MET 98 3.455 11.768 8.082 743 HE3 MET 98 2HE MET 98 1.869 11.531 7.347 744 H GLU 99 H GLU 99 7.077 9.724 2.898 745 HA GLU 99 HA GLU 99 6.798 12.268 1.470 746 HB2 GLU 99 2HB GLU 99 9.067 10.263 1.456 747 HB3 GLU 99 1HB GLU 99 9.095 11.847 0.695 748 HG2 GLU 99 2HG GLU 99 8.860 12.906 2.891 749 HG3 GLU 99 1HG GLU 99 8.838 11.316 3.652 750 H ASN 100 H ASN 100 7.469 8.869 0.562 751 HA ASN 100 HA ASN 100 7.091 9.432 -2.244 752 HB2 ASN 100 2HB ASN 100 7.435 6.753 -0.877 753 HB3 ASN 100 1HB ASN 100 7.627 7.085 -2.596 754 HD21 ASN 100 1HD2 ASN 100 9.017 7.438 0.552 755 HD22 ASN 100 2HD2 ASN 100 10.593 7.898 0.028 756 H GLY 101 H GLY 101 5.051 8.388 0.336 757 HA2 GLY 101 2HA GLY 101 3.243 6.760 -1.138 758 HA3 GLY 101 1HA GLY 101 2.932 7.495 0.423 759 H LYS 102 H LYS 102 3.329 10.221 -0.508 760 HA LYS 102 HA LYS 102 0.669 10.696 -1.532 761 HB2 LYS 102 2HB LYS 102 1.271 13.094 -1.217 762 HB3 LYS 102 1HB LYS 102 1.488 12.118 0.229 763 HG2 LYS 102 2HG LYS 102 3.896 12.020 -0.182 764 HG3 LYS 102 1HG LYS 102 3.690 12.975 -1.651 765 HD2 LYS 102 2HD LYS 102 2.981 13.898 1.139 766 HD3 LYS 102 1HD LYS 102 4.457 14.330 0.274 767 HE2 LYS 102 2HE LYS 102 3.132 15.424 -1.463 768 HE3 LYS 102 1HE LYS 102 1.644 14.958 -0.639 769 HZ1 LYS 102 3HZ LYS 102 3.733 16.731 0.501 770 HZ2 LYS 102 1HZ LYS 102 2.257 16.331 1.223 771 HZ3 LYS 102 2HZ LYS 102 2.281 17.254 -0.192 772 H THR 103 H THR 103 2.692 9.464 -3.352 773 HA THR 103 HA THR 103 3.448 11.424 -5.306 774 HB THR 103 HB THR 103 4.809 9.438 -5.075 775 HG1 THR 103 HG1 THR 103 5.077 9.094 -7.214 776 HG21 THR 103 3HG2 THR 103 3.031 7.880 -4.359 777 HG22 THR 103 1HG2 THR 103 4.009 7.216 -5.668 778 HG23 THR 103 2HG2 THR 103 2.404 7.859 -6.009 779 H THR 104 H THR 104 2.632 11.744 -7.378 780 HA THR 104 HA THR 104 -0.134 10.822 -7.838 781 HB THR 104 HB THR 104 -0.227 12.690 -9.525 782 HG1 THR 104 HG1 THR 104 1.715 14.232 -8.603 783 HG21 THR 104 3HG2 THR 104 -1.140 12.965 -7.256 784 HG22 THR 104 1HG2 THR 104 -0.464 14.477 -7.867 785 HG23 THR 104 2HG2 THR 104 0.435 13.519 -6.690 786 H THR 105 H THR 105 2.763 9.713 -8.579 787 HA THR 105 HA THR 105 2.440 9.346 -11.460 788 HB THR 105 HB THR 105 4.558 8.175 -9.629 789 HG1 THR 105 HG1 THR 105 4.782 10.459 -11.333 790 HG21 THR 105 3HG2 THR 105 4.353 6.960 -11.738 791 HG22 THR 105 1HG2 THR 105 5.849 7.896 -11.714 792 HG23 THR 105 2HG2 THR 105 4.463 8.472 -12.641 793 H ILE 106 H ILE 106 0.849 7.912 -11.968 794 HA ILE 106 HA ILE 106 0.766 5.337 -10.516 795 HB ILE 106 HB ILE 106 -1.448 6.576 -12.173 796 HG12 ILE 106 2HG1 ILE 106 -1.145 6.426 -9.158 797 HG13 ILE 106 1HG1 ILE 106 -0.992 7.889 -10.126 798 HG21 ILE 106 1HG2 ILE 106 -2.860 4.839 -11.150 799 HG22 ILE 106 2HG2 ILE 106 -1.444 4.176 -10.334 800 HG23 ILE 106 3HG2 ILE 106 -1.544 4.136 -12.095 801 HD11 ILE 106 3HD1 ILE 106 -3.147 7.814 -9.052 802 HD12 ILE 106 1HD1 ILE 106 -3.482 6.233 -9.761 803 HD13 ILE 106 2HD1 ILE 106 -3.347 7.656 -10.798 804 H LYS 107 H LYS 107 1.394 3.579 -11.578 805 HA LYS 107 HA LYS 107 1.607 3.654 -14.522 806 HB2 LYS 107 2HB LYS 107 3.209 2.029 -12.532 807 HB3 LYS 107 1HB LYS 107 3.423 2.000 -14.277 808 HG2 LYS 107 2HG LYS 107 4.140 4.320 -14.256 809 HG3 LYS 107 1HG LYS 107 3.832 4.420 -12.523 810 HD2 LYS 107 2HD LYS 107 6.170 4.131 -12.759 811 HD3 LYS 107 1HD LYS 107 5.538 2.575 -12.227 812 HE2 LYS 107 2HE LYS 107 6.153 3.273 -15.102 813 HE3 LYS 107 1HE LYS 107 7.265 2.432 -14.029 814 HZ1 LYS 107 3HZ LYS 107 5.554 0.679 -13.786 815 HZ2 LYS 107 1HZ LYS 107 6.131 0.846 -15.370 816 HZ3 LYS 107 2HZ LYS 107 4.616 1.467 -14.955 817 H ASP 108 H ASP 108 0.066 2.461 -15.496 818 HA ASP 108 HA ASP 108 -1.197 0.247 -14.108 819 HB2 ASP 108 2HB ASP 108 -2.537 1.816 -15.503 820 HB3 ASP 108 1HB ASP 108 -1.673 1.251 -16.930 821 H LEU 109 H LEU 109 -0.332 -1.703 -14.117 822 HA LEU 109 HA LEU 109 1.344 -2.596 -16.367 823 HG LEU 109 HG LEU 109 2.111 -1.709 -13.292 824 HB2 LEU 109 2HB LEU 109 1.010 -3.859 -13.640 825 HB3 LEU 109 1HB LEU 109 2.194 -4.297 -14.857 826 HD11 LEU 109 1HD1 LEU 109 2.859 -3.622 -11.973 827 HD12 LEU 109 2HD1 LEU 109 4.195 -2.520 -12.301 828 HD13 LEU 109 3HD1 LEU 109 4.053 -4.025 -13.210 829 HD21 LEU 109 3HD2 LEU 109 2.924 -1.332 -15.573 830 HD22 LEU 109 1HD2 LEU 109 4.103 -2.628 -15.370 831 HD23 LEU 109 2HD2 LEU 109 4.221 -1.165 -14.392 832 H THR 110 H THR 110 -1.815 -2.699 -15.656 833 HA THR 110 HA THR 110 -2.332 -5.549 -15.875 834 HB THR 110 HB THR 110 -4.657 -5.060 -15.662 835 HG1 THR 110 HG1 THR 110 -4.028 -2.291 -16.036 836 HG21 THR 110 3HG2 THR 110 -3.365 -4.807 -13.597 837 HG22 THR 110 1HG2 THR 110 -4.737 -3.697 -13.623 838 HG23 THR 110 2HG2 THR 110 -3.112 -3.099 -13.956 839 H LEU 111 H LEU 111 -2.478 -2.723 -17.973 840 HA LEU 111 HA LEU 111 -3.765 -3.975 -20.169 841 HG LEU 111 HG LEU 111 -3.732 -1.088 -18.781 842 HB2 LEU 111 2HB LEU 111 -1.810 -1.667 -20.191 843 HB3 LEU 111 1HB LEU 111 -2.889 -2.108 -21.503 844 HD11 LEU 111 1HD1 LEU 111 -3.897 0.220 -21.496 845 HD12 LEU 111 2HD1 LEU 111 -2.749 0.633 -20.220 846 HD13 LEU 111 3HD1 LEU 111 -4.476 0.893 -19.971 847 HD21 LEU 111 3HD2 LEU 111 -5.427 -1.796 -21.179 848 HD22 LEU 111 1HD2 LEU 111 -6.000 -1.072 -19.676 849 HD23 LEU 111 2HD2 LEU 111 -5.340 -2.706 -19.671 850 H GLU 112 H GLU 112 -0.501 -4.029 -19.009 851 HA GLU 112 HA GLU 112 0.658 -5.046 -21.455 852 HB2 GLU 112 2HB GLU 112 1.859 -5.046 -18.677 853 HB3 GLU 112 1HB GLU 112 2.718 -5.191 -20.205 854 HG2 GLU 112 2HG GLU 112 2.034 -2.885 -20.767 855 HG3 GLU 112 1HG GLU 112 1.265 -2.755 -19.184 856 H HIS 113 H HIS 113 -0.010 -7.050 -22.060 857 HA HIS 113 HA HIS 113 -0.641 -9.107 -20.157 858 HD1 HIS 113 HD1 HIS 113 0.369 -11.851 -23.135 859 HD2 HIS 113 HD2 HIS 113 -3.103 -10.990 -21.023 860 HE1 HIS 113 HE1 HIS 113 -0.667 -14.076 -22.604 861 HE2 HIS 113 HE2 HIS 113 -2.690 -13.533 -21.217 862 HB2 HIS 113 2HB HIS 113 -1.761 -8.906 -22.379 863 HB3 HIS 113 1HB HIS 113 -0.249 -9.369 -23.153 864 H HIS 114 H HIS 114 1.415 -9.043 -19.014 865 HA HIS 114 HA HIS 114 3.458 -10.764 -20.260 866 HD1 HIS 114 HD1 HIS 114 6.019 -8.326 -17.343 867 HD2 HIS 114 HD2 HIS 114 6.276 -10.756 -20.705 868 HE1 HIS 114 HE1 HIS 114 8.321 -9.321 -17.278 869 HE2 HIS 114 HE2 HIS 114 8.488 -10.714 -19.368 870 HB2 HIS 114 2HB HIS 114 4.269 -8.468 -20.405 871 HB3 HIS 114 1HB HIS 114 3.960 -8.221 -18.691 872 H HIS 115 H HIS 115 3.363 -12.600 -19.089 873 HA HIS 115 HA HIS 115 2.583 -12.581 -16.308 874 HD1 HIS 115 HD1 HIS 115 2.202 -15.005 -20.038 875 HD2 HIS 115 HD2 HIS 115 5.481 -15.751 -17.592 876 HE1 HIS 115 HE1 HIS 115 3.867 -16.190 -21.490 877 HE2 HIS 115 HE2 HIS 115 5.790 -16.732 -19.967 878 HB2 HIS 115 2HB HIS 115 2.862 -15.060 -16.464 879 HB3 HIS 115 1HB HIS 115 1.764 -14.387 -17.660 880 H HIS 116 H HIS 116 3.817 -13.036 -14.519 881 HA HIS 116 HA HIS 116 6.671 -12.519 -14.811 882 HD1 HIS 116 HD1 HIS 116 7.319 -9.958 -12.650 883 HD2 HIS 116 HD2 HIS 116 7.479 -13.797 -11.060 884 HE1 HIS 116 HE1 HIS 116 9.350 -9.994 -11.174 885 HE2 HIS 116 HE2 HIS 116 9.368 -12.283 -10.142 886 HB2 HIS 116 2HB HIS 116 5.245 -11.301 -13.140 887 HB3 HIS 116 1HB HIS 116 5.041 -12.818 -12.276 888 H HIS 117 H HIS 117 7.899 -14.278 -15.247 889 HA HIS 117 HA HIS 117 7.619 -16.619 -13.467 890 HD1 HIS 117 HD1 HIS 117 10.150 -18.514 -16.048 891 HD2 HIS 117 HD2 HIS 117 6.492 -19.622 -14.413 892 HE1 HIS 117 HE1 HIS 117 10.387 -20.937 -15.447 893 HE2 HIS 117 HE2 HIS 117 8.111 -21.625 -14.634 894 HB2 HIS 117 2HB HIS 117 6.663 -17.151 -15.706 895 HB3 HIS 117 1HB HIS 117 8.224 -16.785 -16.434 896 H HIS 118 H HIS 118 9.439 -16.970 -12.361 897 HA HIS 118 HA HIS 118 11.949 -15.772 -13.110 898 HD1 HIS 118 HD1 HIS 118 13.492 -19.019 -10.946 899 HD2 HIS 118 HD2 HIS 118 13.927 -14.908 -10.523 900 HE1 HIS 118 HE1 HIS 118 15.869 -18.666 -10.233 901 HE2 HIS 118 HE2 HIS 118 16.058 -16.196 -9.818 902 HB2 HIS 118 2HB HIS 118 11.329 -15.984 -10.758 903 HB3 HIS 118 1HB HIS 118 11.255 -17.734 -10.907 Start of MODEL 17 1 HA MET 1 HA MET 1 14.345 9.169 -7.217 2 H1 MET 1 1H MET 1 12.497 10.410 -9.173 3 H2 MET 1 2H MET 1 12.740 8.749 -8.983 4 H3 MET 1 3H MET 1 14.010 9.733 -9.501 5 HB2 MET 1 2HB MET 1 15.041 11.392 -7.972 6 HB3 MET 1 1HB MET 1 13.452 12.040 -7.588 7 HG2 MET 1 2HG MET 1 15.125 12.602 -5.889 8 HG3 MET 1 1HG MET 1 13.814 11.623 -5.230 9 HE1 MET 1 3HE MET 1 16.955 10.469 -3.153 10 HE2 MET 1 1HE MET 1 15.328 11.147 -3.072 11 HE3 MET 1 2HE MET 1 16.646 12.095 -3.761 12 H SER 2 H SER 2 11.165 10.625 -7.783 13 HA SER 2 HA SER 2 10.256 10.062 -5.082 14 HG SER 2 HG SER 2 9.133 13.000 -6.845 15 HB2 SER 2 2HB SER 2 8.712 11.016 -7.520 16 HB3 SER 2 1HB SER 2 8.077 10.931 -5.876 17 H GLY 3 H GLY 3 8.462 8.627 -4.604 18 HA2 GLY 3 2HA GLY 3 8.682 6.079 -5.843 19 HA3 GLY 3 1HA GLY 3 7.486 6.542 -4.647 20 H TRP 4 H TRP 4 6.483 4.864 -6.347 21 HA TRP 4 HA TRP 4 4.524 6.393 -7.794 22 HD1 TRP 4 HD1 TRP 4 5.247 2.736 -10.130 23 HE1 TRP 4 HE1 TRP 4 7.361 1.291 -10.365 24 HE3 TRP 4 HE3 TRP 4 8.753 6.221 -8.826 25 HZ2 TRP 4 HZ2 TRP 4 10.149 1.593 -10.048 26 HZ3 TRP 4 HZ3 TRP 4 11.126 5.563 -8.827 27 HH2 TRP 4 HH2 TRP 4 11.808 3.297 -9.425 28 HB2 TRP 4 2HB TRP 4 4.928 5.419 -10.011 29 HB3 TRP 4 1HB TRP 4 6.308 6.366 -9.472 30 H TYR 5 H TYR 5 2.880 4.977 -8.861 31 HA TYR 5 HA TYR 5 2.498 2.482 -7.330 32 HD1 TYR 5 HD2 TYR 5 0.138 2.649 -5.476 33 HD2 TYR 5 HD1 TYR 5 0.891 6.273 -7.576 34 HE1 TYR 5 HE2 TYR 5 -0.238 3.923 -3.403 35 HE2 TYR 5 HE1 TYR 5 0.507 7.553 -5.514 36 HH TYR 5 HH TYR 5 0.413 6.162 -2.468 37 HB2 TYR 5 2HB TYR 5 0.475 4.216 -8.779 38 HB3 TYR 5 1HB TYR 5 0.097 2.726 -7.927 39 H GLU 6 H GLU 6 2.465 0.556 -8.396 40 HA GLU 6 HA GLU 6 1.923 0.612 -11.300 41 HB2 GLU 6 2HB GLU 6 3.880 -1.164 -9.821 42 HB3 GLU 6 1HB GLU 6 3.379 -1.435 -11.486 43 HG2 GLU 6 2HG GLU 6 4.195 0.887 -12.006 44 HG3 GLU 6 1HG GLU 6 4.884 0.931 -10.390 45 H LEU 7 H LEU 7 0.019 -0.205 -11.719 46 HA LEU 7 HA LEU 7 -1.271 -2.074 -9.859 47 HG LEU 7 HG LEU 7 -3.653 -2.617 -11.613 48 HB2 LEU 7 2HB LEU 7 -2.506 -0.072 -10.485 49 HB3 LEU 7 1HB LEU 7 -2.328 -0.458 -12.185 50 HD11 LEU 7 1HD1 LEU 7 -3.535 -2.430 -9.195 51 HD12 LEU 7 2HD1 LEU 7 -5.209 -2.401 -9.746 52 HD13 LEU 7 3HD1 LEU 7 -4.417 -0.904 -9.254 53 HD21 LEU 7 3HD2 LEU 7 -5.003 0.081 -11.602 54 HD22 LEU 7 1HD2 LEU 7 -5.782 -1.461 -11.959 55 HD23 LEU 7 2HD2 LEU 7 -4.518 -0.848 -13.023 56 H SER 8 H SER 8 -1.100 -4.222 -10.302 57 HA SER 8 HA SER 8 -0.943 -5.036 -13.138 58 HG SER 8 HG SER 8 1.149 -6.239 -10.011 59 HB2 SER 8 2HB SER 8 0.304 -7.047 -12.361 60 HB3 SER 8 1HB SER 8 1.141 -5.541 -11.987 61 H LYS 9 H LYS 9 -1.831 -7.148 -13.693 62 HA LYS 9 HA LYS 9 -4.400 -7.581 -12.378 63 HB2 LYS 9 2HB LYS 9 -4.386 -7.403 -14.821 64 HB3 LYS 9 1HB LYS 9 -3.243 -8.735 -14.936 65 HG2 LYS 9 2HG LYS 9 -4.998 -10.190 -13.857 66 HG3 LYS 9 1HG LYS 9 -6.125 -8.853 -14.054 67 HD2 LYS 9 2HD LYS 9 -4.587 -9.960 -16.393 68 HD3 LYS 9 1HD LYS 9 -6.080 -10.717 -15.844 69 HE2 LYS 9 2HE LYS 9 -6.628 -9.229 -17.630 70 HE3 LYS 9 1HE LYS 9 -7.220 -8.512 -16.135 71 HZ1 LYS 9 3HZ LYS 9 -5.370 -7.017 -16.119 72 HZ2 LYS 9 1HZ LYS 9 -6.130 -6.918 -17.622 73 HZ3 LYS 9 2HZ LYS 9 -4.675 -7.762 -17.464 74 H SER 10 H SER 10 -5.112 -9.588 -11.597 75 HA SER 10 HA SER 10 -3.010 -11.499 -10.831 76 HG SER 10 HG SER 10 -4.508 -12.763 -8.286 77 HB2 SER 10 2HB SER 10 -4.320 -10.786 -8.953 78 HB3 SER 10 1HB SER 10 -5.829 -11.053 -9.821 79 H SER 11 H SER 11 -3.607 -13.849 -10.878 80 HA SER 11 HA SER 11 -4.385 -14.758 -13.413 81 HG SER 11 HG SER 11 -2.389 -16.704 -11.095 82 HB2 SER 11 2HB SER 11 -4.476 -16.291 -10.795 83 HB3 SER 11 1HB SER 11 -4.473 -17.005 -12.408 84 H ASN 12 H ASN 12 -6.281 -13.944 -10.628 85 HA ASN 12 HA ASN 12 -8.721 -15.208 -11.570 86 HB2 ASN 12 2HB ASN 12 -8.261 -13.225 -9.322 87 HB3 ASN 12 1HB ASN 12 -9.752 -14.122 -9.606 88 HD21 ASN 12 1HD2 ASN 12 -9.863 -16.254 -9.007 89 HD22 ASN 12 2HD2 ASN 12 -8.635 -17.033 -8.075 90 H ASP 13 H ASP 13 -7.155 -12.725 -12.845 91 HA ASP 13 HA ASP 13 -7.612 -10.856 -14.024 92 HB2 ASP 13 2HB ASP 13 -10.420 -11.944 -13.833 93 HB3 ASP 13 1HB ASP 13 -10.070 -10.425 -14.653 94 H GLN 14 H GLN 14 -8.283 -11.165 -10.865 95 HA GLN 14 HA GLN 14 -9.541 -8.604 -10.405 96 HB2 GLN 14 2HB GLN 14 -8.139 -10.427 -8.432 97 HB3 GLN 14 1HB GLN 14 -9.158 -9.050 -8.028 98 HG2 GLN 14 2HG GLN 14 -11.053 -10.217 -9.179 99 HG3 GLN 14 1HG GLN 14 -10.009 -11.629 -9.336 100 HE21 GLN 14 1HE2 GLN 14 -12.505 -11.406 -7.927 101 HE22 GLN 14 2HE2 GLN 14 -12.186 -11.781 -6.274 102 H PHE 15 H PHE 15 -8.435 -6.865 -9.137 103 HA PHE 15 HA PHE 15 -5.800 -6.485 -10.410 104 HD1 PHE 15 HD1 PHE 15 -6.166 -4.703 -12.773 105 HD2 PHE 15 HD2 PHE 15 -9.745 -5.366 -10.559 106 HE1 PHE 15 HE1 PHE 15 -7.390 -5.078 -14.873 107 HE2 PHE 15 HE2 PHE 15 -10.979 -5.733 -12.657 108 HZ PHE 15 HZ PHE 15 -9.802 -5.590 -14.819 109 HB2 PHE 15 2HB PHE 15 -7.787 -4.389 -9.501 110 HB3 PHE 15 1HB PHE 15 -6.310 -4.103 -10.419 111 H LYS 16 H LYS 16 -4.082 -5.517 -9.363 112 HA LYS 16 HA LYS 16 -4.270 -4.915 -6.491 113 HB2 LYS 16 2HB LYS 16 -2.328 -6.306 -5.965 114 HB3 LYS 16 1HB LYS 16 -3.606 -7.299 -6.657 115 HG2 LYS 16 2HG LYS 16 -2.466 -7.286 -8.820 116 HG3 LYS 16 1HG LYS 16 -1.196 -6.262 -8.153 117 HD2 LYS 16 2HD LYS 16 -0.420 -8.544 -8.224 118 HD3 LYS 16 1HD LYS 16 -0.640 -8.064 -6.541 119 HE2 LYS 16 2HE LYS 16 -2.726 -9.271 -6.421 120 HE3 LYS 16 1HE LYS 16 -2.663 -9.628 -8.147 121 HZ1 LYS 16 3HZ LYS 16 -1.956 -11.518 -6.809 122 HZ2 LYS 16 1HZ LYS 16 -0.717 -10.597 -6.123 123 HZ3 LYS 16 2HZ LYS 16 -0.689 -10.955 -7.775 124 H PHE 17 H PHE 17 -2.725 -3.354 -5.805 125 HA PHE 17 HA PHE 17 -0.802 -2.472 -7.858 126 HD1 PHE 17 HD1 PHE 17 -1.092 0.524 -4.912 127 HD2 PHE 17 HD2 PHE 17 -4.626 -1.164 -6.598 128 HE1 PHE 17 HE1 PHE 17 -2.390 1.310 -2.975 129 HE2 PHE 17 HE2 PHE 17 -5.923 -0.380 -4.660 130 HZ PHE 17 HZ PHE 17 -4.808 0.857 -2.847 131 HB2 PHE 17 2HB PHE 17 -1.208 -0.115 -7.288 132 HB3 PHE 17 1HB PHE 17 -2.644 -0.890 -7.939 133 H VAL 18 H VAL 18 1.145 -1.643 -7.161 134 HA VAL 18 HA VAL 18 1.707 -1.925 -4.274 135 HB VAL 18 HB VAL 18 4.014 -2.606 -4.873 136 HG11 VAL 18 1HG1 VAL 18 2.323 -4.308 -4.362 137 HG12 VAL 18 2HG1 VAL 18 3.483 -4.894 -5.554 138 HG13 VAL 18 3HG1 VAL 18 1.875 -4.380 -6.067 139 HG21 VAL 18 3HG2 VAL 18 4.487 -3.344 -7.194 140 HG22 VAL 18 1HG2 VAL 18 4.212 -1.606 -7.074 141 HG23 VAL 18 2HG2 VAL 18 2.944 -2.658 -7.704 142 H LEU 19 H LEU 19 2.671 -0.257 -3.276 143 HA LEU 19 HA LEU 19 3.412 2.102 -4.838 144 HG LEU 19 HG LEU 19 4.746 3.461 -2.207 145 HB2 LEU 19 2HB LEU 19 1.972 2.484 -2.931 146 HB3 LEU 19 1HB LEU 19 3.092 1.657 -1.864 147 HD11 LEU 19 1HD1 LEU 19 2.573 4.802 -3.819 148 HD12 LEU 19 2HD1 LEU 19 4.090 4.161 -4.453 149 HD13 LEU 19 3HD1 LEU 19 4.107 5.530 -3.339 150 HD21 LEU 19 3HD2 LEU 19 3.231 3.603 -0.313 151 HD22 LEU 19 1HD2 LEU 19 2.023 4.416 -1.310 152 HD23 LEU 19 2HD2 LEU 19 3.556 5.212 -0.955 153 H LYS 20 H LYS 20 5.438 2.272 -5.514 154 HA LYS 20 HA LYS 20 7.591 0.943 -4.017 155 HB2 LYS 20 2HB LYS 20 7.535 1.973 -6.864 156 HB3 LYS 20 1HB LYS 20 8.899 1.159 -6.103 157 HG2 LYS 20 2HG LYS 20 7.462 -0.835 -5.758 158 HG3 LYS 20 1HG LYS 20 6.174 -0.016 -6.643 159 HD2 LYS 20 2HD LYS 20 7.582 0.080 -8.635 160 HD3 LYS 20 1HD LYS 20 8.907 -0.683 -7.752 161 HE2 LYS 20 2HE LYS 20 7.497 -2.680 -7.412 162 HE3 LYS 20 1HE LYS 20 6.216 -1.919 -8.355 163 HZ1 LYS 20 3HZ LYS 20 8.923 -2.622 -9.347 164 HZ2 LYS 20 1HZ LYS 20 7.714 -1.864 -10.255 165 HZ3 LYS 20 2HZ LYS 20 7.492 -3.445 -9.701 166 H ALA 21 H ALA 21 9.564 2.013 -3.604 167 HA ALA 21 HA ALA 21 9.267 4.933 -3.282 168 HB1 ALA 21 3HB ALA 21 10.938 3.024 -1.643 169 HB2 ALA 21 1HB ALA 21 9.337 3.616 -1.192 170 HB3 ALA 21 2HB ALA 21 10.688 4.742 -1.327 171 H GLY 22 H GLY 22 10.609 6.199 -4.417 172 HA2 GLY 22 2HA GLY 22 12.443 6.987 -5.549 173 HA3 GLY 22 1HA GLY 22 13.350 6.148 -4.314 174 H ASN 23 H ASN 23 13.942 3.882 -4.760 175 HA ASN 23 HA ASN 23 14.987 3.716 -7.468 176 HB2 ASN 23 2HB ASN 23 16.312 1.822 -6.565 177 HB3 ASN 23 1HB ASN 23 16.493 3.288 -5.606 178 HD21 ASN 23 1HD2 ASN 23 16.978 0.585 -4.767 179 HD22 ASN 23 2HD2 ASN 23 15.918 0.283 -3.440 180 H GLY 24 H GLY 24 12.244 2.557 -5.902 181 HA2 GLY 24 2HA GLY 24 10.595 1.400 -7.278 182 HA3 GLY 24 1HA GLY 24 11.903 0.450 -7.960 183 H GLU 25 H GLU 25 12.121 0.932 -4.570 184 HA GLU 25 HA GLU 25 11.581 -1.856 -4.051 185 HB2 GLU 25 2HB GLU 25 13.385 -0.705 -2.865 186 HB3 GLU 25 1HB GLU 25 12.233 0.426 -2.169 187 HG2 GLU 25 2HG GLU 25 12.921 -1.285 -0.566 188 HG3 GLU 25 1HG GLU 25 11.192 -1.359 -0.901 189 H VAL 26 H VAL 26 9.716 -2.746 -3.315 190 HA VAL 26 HA VAL 26 7.357 -1.075 -3.180 191 HB VAL 26 HB VAL 26 7.615 -4.063 -2.768 192 HG11 VAL 26 1HG1 VAL 26 5.200 -4.127 -3.203 193 HG12 VAL 26 2HG1 VAL 26 5.170 -2.366 -3.293 194 HG13 VAL 26 3HG1 VAL 26 5.575 -3.163 -1.773 195 HG21 VAL 26 3HG2 VAL 26 8.362 -3.418 -4.994 196 HG22 VAL 26 1HG2 VAL 26 6.877 -2.495 -5.244 197 HG23 VAL 26 2HG2 VAL 26 6.809 -4.250 -5.087 198 H ILE 27 H ILE 27 6.776 -0.057 -1.359 199 HA ILE 27 HA ILE 27 7.406 -1.244 1.255 200 HB ILE 27 HB ILE 27 6.638 0.952 2.194 201 HG12 ILE 27 2HG1 ILE 27 6.554 1.772 -0.727 202 HG13 ILE 27 1HG1 ILE 27 5.163 1.640 0.341 203 HG21 ILE 27 1HG2 ILE 27 9.007 0.481 1.811 204 HG22 ILE 27 2HG2 ILE 27 8.646 2.187 1.544 205 HG23 ILE 27 3HG2 ILE 27 8.874 1.106 0.166 206 HD11 ILE 27 3HD1 ILE 27 6.050 3.454 1.720 207 HD12 ILE 27 1HD1 ILE 27 5.827 3.954 0.043 208 HD13 ILE 27 2HD1 ILE 27 7.443 3.586 0.646 209 H LEU 28 H LEU 28 4.659 -0.361 -0.754 210 HA LEU 28 HA LEU 28 2.826 -1.603 1.211 211 HG LEU 28 HG LEU 28 1.275 1.742 1.600 212 HB2 LEU 28 2HB LEU 28 2.599 0.967 -0.275 213 HB3 LEU 28 1HB LEU 28 1.136 0.019 -0.138 214 HD11 LEU 28 1HD1 LEU 28 1.524 -1.050 2.715 215 HD12 LEU 28 2HD1 LEU 28 0.055 -0.313 2.077 216 HD13 LEU 28 3HD1 LEU 28 0.806 0.337 3.533 217 HD21 LEU 28 3HD2 LEU 28 3.698 0.255 2.610 218 HD22 LEU 28 1HD2 LEU 28 2.920 1.640 3.373 219 HD23 LEU 28 2HD2 LEU 28 3.726 1.829 1.816 220 H THR 29 H THR 29 1.815 -3.359 0.454 221 HA THR 29 HA THR 29 1.223 -3.542 -2.444 222 HB THR 29 HB THR 29 1.850 -5.814 -0.530 223 HG1 THR 29 HG1 THR 29 3.759 -4.958 -1.244 224 HG21 THR 29 3HG2 THR 29 0.085 -6.479 -2.094 225 HG22 THR 29 1HG2 THR 29 1.600 -7.296 -2.478 226 HG23 THR 29 2HG2 THR 29 1.066 -5.924 -3.451 227 H SER 30 H SER 30 -0.901 -3.752 -2.976 228 HA SER 30 HA SER 30 -2.855 -3.932 -0.796 229 HG SER 30 HG SER 30 -4.109 -4.212 -4.194 230 HB2 SER 30 2HB SER 30 -4.468 -3.071 -2.335 231 HB3 SER 30 1HB SER 30 -2.989 -2.151 -2.605 232 H GLU 31 H GLU 31 -4.671 -5.366 -0.871 233 HA GLU 31 HA GLU 31 -4.155 -7.952 -2.009 234 HB2 GLU 31 2HB GLU 31 -6.419 -6.793 -0.392 235 HB3 GLU 31 1HB GLU 31 -6.546 -8.395 -1.099 236 HG2 GLU 31 2HG GLU 31 -5.840 -8.676 1.146 237 HG3 GLU 31 1HG GLU 31 -4.455 -9.027 0.118 238 H LEU 32 H LEU 32 -6.691 -8.821 -2.823 239 HA LEU 32 HA LEU 32 -6.620 -7.838 -5.541 240 HG LEU 32 HG LEU 32 -5.876 -10.654 -4.344 241 HB2 LEU 32 2HB LEU 32 -8.243 -10.039 -4.263 242 HB3 LEU 32 1HB LEU 32 -8.230 -9.683 -5.979 243 HD11 LEU 32 1HD1 LEU 32 -7.533 -12.027 -6.467 244 HD12 LEU 32 2HD1 LEU 32 -7.515 -12.401 -4.744 245 HD13 LEU 32 3HD1 LEU 32 -6.074 -12.682 -5.718 246 HD21 LEU 32 3HD2 LEU 32 -5.137 -9.130 -6.093 247 HD22 LEU 32 1HD2 LEU 32 -6.069 -10.024 -7.294 248 HD23 LEU 32 2HD2 LEU 32 -4.696 -10.790 -6.493 249 H TYR 33 H TYR 33 -7.955 -6.431 -6.446 250 HA TYR 33 HA TYR 33 -10.452 -5.669 -5.090 251 HD1 TYR 33 HD2 TYR 33 -6.926 -4.417 -5.590 252 HD2 TYR 33 HD1 TYR 33 -10.566 -2.359 -4.776 253 HE1 TYR 33 HE2 TYR 33 -5.808 -3.145 -3.812 254 HE2 TYR 33 HE1 TYR 33 -9.450 -1.083 -2.997 255 HH TYR 33 HH TYR 33 -6.040 -1.106 -2.578 256 HB2 TYR 33 2HB TYR 33 -8.849 -4.298 -7.261 257 HB3 TYR 33 1HB TYR 33 -10.414 -3.724 -6.693 258 H THR 34 H THR 34 -12.442 -5.851 -6.053 259 HA THR 34 HA THR 34 -12.785 -7.760 -8.153 260 HB THR 34 HB THR 34 -15.193 -7.242 -7.987 261 HG1 THR 34 HG1 THR 34 -15.824 -5.383 -7.197 262 HG21 THR 34 3HG2 THR 34 -14.209 -8.801 -6.370 263 HG22 THR 34 1HG2 THR 34 -15.517 -7.872 -5.638 264 HG23 THR 34 2HG2 THR 34 -13.838 -7.455 -5.291 265 H GLY 35 H GLY 35 -13.167 -4.229 -7.997 266 HA2 GLY 35 2HA GLY 35 -13.466 -4.170 -10.939 267 HA3 GLY 35 1HA GLY 35 -14.056 -2.929 -9.850 268 H LYS 36 H LYS 36 -12.079 -3.031 -12.215 269 HA LYS 36 HA LYS 36 -9.500 -2.374 -11.310 270 HB2 LYS 36 2HB LYS 36 -10.189 -2.905 -13.682 271 HB3 LYS 36 1HB LYS 36 -10.850 -1.281 -13.789 272 HG2 LYS 36 2HG LYS 36 -8.599 -0.362 -13.352 273 HG3 LYS 36 1HG LYS 36 -7.957 -2.008 -13.320 274 HD2 LYS 36 2HD LYS 36 -8.850 -2.300 -15.656 275 HD3 LYS 36 1HD LYS 36 -9.234 -0.578 -15.658 276 HE2 LYS 36 2HE LYS 36 -6.496 -1.808 -15.342 277 HE3 LYS 36 1HE LYS 36 -7.112 -0.980 -16.769 278 HZ1 LYS 36 3HZ LYS 36 -7.229 1.066 -15.514 279 HZ2 LYS 36 1HZ LYS 36 -5.663 0.430 -15.432 280 HZ3 LYS 36 2HZ LYS 36 -6.705 0.281 -14.112 281 H SER 37 H SER 37 -12.280 -0.279 -12.060 282 HA SER 37 HA SER 37 -11.111 2.190 -11.424 283 HG SER 37 HG SER 37 -12.693 3.852 -11.035 284 HB2 SER 37 2HB SER 37 -13.286 2.014 -12.565 285 HB3 SER 37 1HB SER 37 -14.012 1.359 -11.097 286 H GLY 38 H GLY 38 -12.665 -0.223 -9.347 287 HA2 GLY 38 2HA GLY 38 -12.589 1.206 -6.920 288 HA3 GLY 38 1HA GLY 38 -12.578 -0.544 -7.073 289 H ALA 39 H ALA 39 -10.153 -0.915 -8.424 290 HA ALA 39 HA ALA 39 -8.205 -0.794 -6.397 291 HB1 ALA 39 3HB ALA 39 -8.113 -2.377 -8.279 292 HB2 ALA 39 1HB ALA 39 -6.611 -1.464 -8.124 293 HB3 ALA 39 2HB ALA 39 -7.774 -1.041 -9.381 294 H MET 40 H MET 40 -8.609 1.229 -9.305 295 HA MET 40 HA MET 40 -6.562 3.074 -8.840 296 HB2 MET 40 2HB MET 40 -9.279 3.596 -10.082 297 HB3 MET 40 1HB MET 40 -7.858 4.616 -10.258 298 HG2 MET 40 2HG MET 40 -8.097 1.772 -11.229 299 HG3 MET 40 1HG MET 40 -8.254 3.214 -12.230 300 HE1 MET 40 3HE MET 40 -6.276 4.895 -12.722 301 HE2 MET 40 1HE MET 40 -4.639 4.709 -12.089 302 HE3 MET 40 2HE MET 40 -5.967 5.102 -10.997 303 H ASN 41 H ASN 41 -9.973 3.188 -7.807 304 HA ASN 41 HA ASN 41 -9.976 5.518 -6.305 305 HB2 ASN 41 2HB ASN 41 -12.004 4.214 -6.760 306 HB3 ASN 41 1HB ASN 41 -11.422 2.915 -5.722 307 HD21 ASN 41 1HD2 ASN 41 -11.510 3.169 -3.494 308 HD22 ASN 41 2HD2 ASN 41 -12.410 4.438 -2.743 309 H GLY 42 H GLY 42 -8.933 2.261 -5.345 310 HA2 GLY 42 2HA GLY 42 -8.241 2.757 -2.684 311 HA3 GLY 42 1HA GLY 42 -7.456 1.577 -3.725 312 H ILE 43 H ILE 43 -6.322 3.284 -5.645 313 HA ILE 43 HA ILE 43 -3.948 4.149 -4.369 314 HB ILE 43 HB ILE 43 -5.023 4.915 -7.098 315 HG12 ILE 43 2HG1 ILE 43 -3.070 2.737 -6.284 316 HG13 ILE 43 1HG1 ILE 43 -4.736 2.480 -6.790 317 HG21 ILE 43 1HG2 ILE 43 -2.699 5.477 -7.659 318 HG22 ILE 43 2HG2 ILE 43 -2.221 5.158 -5.991 319 HG23 ILE 43 3HG2 ILE 43 -3.320 6.489 -6.356 320 HD11 ILE 43 3HD1 ILE 43 -2.521 3.599 -8.493 321 HD12 ILE 43 1HD1 ILE 43 -4.193 3.369 -9.002 322 HD13 ILE 43 2HD1 ILE 43 -3.199 1.975 -8.584 323 H GLU 44 H GLU 44 -6.669 6.004 -5.722 324 HA GLU 44 HA GLU 44 -5.969 8.588 -5.034 325 HB2 GLU 44 2HB GLU 44 -8.736 7.363 -4.811 326 HB3 GLU 44 1HB GLU 44 -8.376 9.075 -4.978 327 HG2 GLU 44 2HG GLU 44 -7.687 6.998 -7.052 328 HG3 GLU 44 1HG GLU 44 -9.165 7.958 -7.064 329 H SER 45 H SER 45 -7.552 6.136 -3.033 330 HA SER 45 HA SER 45 -7.912 7.670 -0.694 331 HG SER 45 HG SER 45 -9.334 5.318 -2.129 332 HB2 SER 45 2HB SER 45 -7.538 4.669 -0.957 333 HB3 SER 45 1HB SER 45 -8.180 5.498 0.459 334 H VAL 46 H VAL 46 -5.238 5.518 -1.691 335 HA VAL 46 HA VAL 46 -3.696 5.712 0.644 336 HB VAL 46 HB VAL 46 -2.715 5.362 -2.201 337 HG11 VAL 46 1HG1 VAL 46 -1.311 4.805 0.421 338 HG12 VAL 46 2HG1 VAL 46 -0.888 6.054 -0.753 339 HG13 VAL 46 3HG1 VAL 46 -0.712 4.351 -1.176 340 HG21 VAL 46 3HG2 VAL 46 -4.298 3.627 -1.566 341 HG22 VAL 46 1HG2 VAL 46 -3.401 3.321 -0.078 342 HG23 VAL 46 2HG2 VAL 46 -2.668 2.960 -1.641 343 H GLN 47 H GLN 47 -3.687 7.772 -2.262 344 HA GLN 47 HA GLN 47 -1.596 9.493 -1.531 345 HB2 GLN 47 2HB GLN 47 -4.077 10.126 -3.148 346 HB3 GLN 47 1HB GLN 47 -2.625 11.116 -3.095 347 HG2 GLN 47 2HG GLN 47 -1.336 9.287 -4.085 348 HG3 GLN 47 1HG GLN 47 -2.789 8.288 -4.127 349 HE21 GLN 47 1HE2 GLN 47 -1.079 9.185 -6.313 350 HE22 GLN 47 2HE2 GLN 47 -2.120 10.028 -7.403 351 H THR 48 H THR 48 -5.078 9.704 -0.809 352 HA THR 48 HA THR 48 -4.948 12.170 0.616 353 HB THR 48 HB THR 48 -6.993 9.939 0.717 354 HG1 THR 48 HG1 THR 48 -7.690 10.891 -1.034 355 HG21 THR 48 3HG2 THR 48 -7.187 12.721 1.902 356 HG22 THR 48 1HG2 THR 48 -7.086 11.213 2.812 357 HG23 THR 48 2HG2 THR 48 -8.499 11.545 1.811 358 H ASN 49 H ASN 49 -4.640 8.813 1.625 359 HA ASN 49 HA ASN 49 -4.669 9.438 4.439 360 HB2 ASN 49 2HB ASN 49 -4.135 6.845 2.981 361 HB3 ASN 49 1HB ASN 49 -4.257 7.001 4.733 362 HD21 ASN 49 1HD2 ASN 49 -5.914 5.441 2.978 363 HD22 ASN 49 2HD2 ASN 49 -7.525 6.019 3.180 364 H SER 50 H SER 50 -2.178 8.985 2.035 365 HA SER 50 HA SER 50 -0.008 8.120 3.468 366 HG SER 50 HG SER 50 2.155 8.586 2.006 367 HB2 SER 50 2HB SER 50 0.147 8.481 1.081 368 HB3 SER 50 1HB SER 50 -0.040 10.222 1.288 369 HA PRO 51 HA PRO 51 1.068 12.466 5.189 370 HB2 PRO 51 2HB PRO 51 -0.527 14.575 4.818 371 HB3 PRO 51 1HB PRO 51 0.559 14.025 3.536 372 HG2 PRO 51 2HG PRO 51 -2.379 13.504 3.872 373 HG3 PRO 51 1HG PRO 51 -1.494 13.994 2.415 374 HD2 PRO 51 2HD PRO 51 -2.202 11.401 2.958 375 HD3 PRO 51 1HD PRO 51 -0.801 11.850 1.965 376 H ILE 52 H ILE 52 -1.582 10.685 5.745 377 HA ILE 52 HA ILE 52 -2.152 11.937 8.357 378 HB ILE 52 HB ILE 52 -4.256 10.625 6.608 379 HG12 ILE 52 2HG1 ILE 52 -3.936 13.584 7.199 380 HG13 ILE 52 1HG1 ILE 52 -3.453 12.820 5.687 381 HG21 ILE 52 1HG2 ILE 52 -4.504 12.166 9.198 382 HG22 ILE 52 2HG2 ILE 52 -4.681 10.422 9.006 383 HG23 ILE 52 3HG2 ILE 52 -5.844 11.513 8.254 384 HD11 ILE 52 3HD1 ILE 52 -5.769 12.177 5.269 385 HD12 ILE 52 1HD1 ILE 52 -5.603 13.922 5.478 386 HD13 ILE 52 2HD1 ILE 52 -6.253 12.937 6.788 387 H GLU 53 H GLU 53 -0.859 10.396 9.466 388 HA GLU 53 HA GLU 53 -0.801 7.645 8.899 389 HB2 GLU 53 2HB GLU 53 0.887 8.877 10.302 390 HB3 GLU 53 1HB GLU 53 -0.289 8.893 11.611 391 HG2 GLU 53 2HG GLU 53 -0.338 6.357 11.406 392 HG3 GLU 53 1HG GLU 53 1.077 6.514 10.369 393 H ALA 54 H ALA 54 -3.099 9.536 10.656 394 HA ALA 54 HA ALA 54 -4.112 7.858 12.573 395 HB1 ALA 54 3HB ALA 54 -6.165 9.138 12.468 396 HB2 ALA 54 1HB ALA 54 -5.737 9.735 10.864 397 HB3 ALA 54 2HB ALA 54 -4.772 10.199 12.264 398 H ARG 55 H ARG 55 -4.461 7.396 9.154 399 HA ARG 55 HA ARG 55 -6.739 5.602 9.380 400 HE ARG 55 HE ARG 55 -8.697 8.908 6.647 401 HB2 ARG 55 2HB ARG 55 -4.926 6.247 7.043 402 HB3 ARG 55 1HB ARG 55 -6.366 5.244 6.946 403 HG2 ARG 55 2HG ARG 55 -6.343 8.151 7.757 404 HG3 ARG 55 1HG ARG 55 -6.733 7.547 6.145 405 HD2 ARG 55 2HD ARG 55 -8.603 6.251 7.125 406 HD3 ARG 55 1HD ARG 55 -8.236 6.956 8.701 407 HH11 ARG 55 1HH1 ARG 55 -10.222 6.883 8.974 408 HH12 ARG 55 2HH1 ARG 55 -11.617 7.893 9.100 409 HH21 ARG 55 1HH2 ARG 55 -10.496 10.196 6.815 410 HH22 ARG 55 2HH2 ARG 55 -11.768 9.750 7.899 411 H TYR 56 H TYR 56 -3.882 5.135 10.560 412 HA TYR 56 HA TYR 56 -2.820 2.863 9.181 413 HD1 TYR 56 HD1 TYR 56 -3.120 5.747 12.140 414 HD2 TYR 56 HD2 TYR 56 -1.251 2.044 13.088 415 HE1 TYR 56 HE1 TYR 56 -3.553 6.146 14.522 416 HE2 TYR 56 HE2 TYR 56 -1.681 2.436 15.472 417 HH TYR 56 HH TYR 56 -3.801 4.801 16.593 418 HB2 TYR 56 2HB TYR 56 -1.135 2.834 10.879 419 HB3 TYR 56 1HB TYR 56 -1.482 4.524 10.528 420 H ALA 57 H ALA 57 -2.407 0.783 10.164 421 HA ALA 57 HA ALA 57 -3.842 0.062 12.594 422 HB1 ALA 57 3HB ALA 57 -4.826 -1.956 11.614 423 HB2 ALA 57 1HB ALA 57 -4.194 -1.506 10.030 424 HB3 ALA 57 2HB ALA 57 -5.428 -0.508 10.800 425 H LYS 58 H LYS 58 -2.012 -0.433 13.763 426 HA LYS 58 HA LYS 58 0.240 -1.712 12.421 427 HB2 LYS 58 2HB LYS 58 -0.017 -0.634 15.239 428 HB3 LYS 58 1HB LYS 58 1.457 -1.304 14.556 429 HG2 LYS 58 2HG LYS 58 1.345 0.504 12.800 430 HG3 LYS 58 1HG LYS 58 0.034 1.225 13.739 431 HD2 LYS 58 2HD LYS 58 1.548 1.367 15.695 432 HD3 LYS 58 1HD LYS 58 2.854 0.702 14.715 433 HE2 LYS 58 2HE LYS 58 3.197 3.043 14.740 434 HE3 LYS 58 1HE LYS 58 2.516 2.681 13.157 435 HZ1 LYS 58 3HZ LYS 58 0.358 3.415 13.973 436 HZ2 LYS 58 1HZ LYS 58 1.502 4.648 14.132 437 HZ3 LYS 58 2HZ LYS 58 1.016 3.761 15.488 438 H GLU 59 H GLU 59 1.118 -3.695 12.911 439 HA GLU 59 HA GLU 59 0.095 -5.322 15.078 440 HB2 GLU 59 2HB GLU 59 -1.584 -5.663 13.286 441 HB3 GLU 59 1HB GLU 59 -0.307 -6.204 12.205 442 HG2 GLU 59 2HG GLU 59 0.125 -8.125 13.617 443 HG3 GLU 59 1HG GLU 59 -1.060 -7.557 14.793 444 H VAL 60 H VAL 60 1.558 -6.853 15.732 445 HA VAL 60 HA VAL 60 4.002 -7.175 14.091 446 HB VAL 60 HB VAL 60 3.794 -7.285 17.114 447 HG11 VAL 60 1HG1 VAL 60 6.206 -7.466 15.299 448 HG12 VAL 60 2HG1 VAL 60 5.535 -8.766 16.285 449 HG13 VAL 60 3HG1 VAL 60 6.261 -7.357 17.058 450 HG21 VAL 60 3HG2 VAL 60 5.090 -5.191 17.085 451 HG22 VAL 60 1HG2 VAL 60 3.520 -5.005 16.304 452 HG23 VAL 60 2HG2 VAL 60 4.980 -5.156 15.324 453 H ALA 61 H ALA 61 4.217 -9.160 13.283 454 HA ALA 61 HA ALA 61 2.650 -11.370 14.177 455 HB1 ALA 61 3HB ALA 61 3.360 -11.012 11.818 456 HB2 ALA 61 1HB ALA 61 3.685 -12.634 12.432 457 HB3 ALA 61 2HB ALA 61 4.996 -11.467 12.293 458 H LYS 62 H LYS 62 3.563 -13.509 14.823 459 HA LYS 62 HA LYS 62 4.828 -13.275 17.281 460 HB2 LYS 62 2HB LYS 62 3.462 -15.254 16.073 461 HB3 LYS 62 1HB LYS 62 5.086 -15.896 15.882 462 HG2 LYS 62 2HG LYS 62 3.817 -15.104 18.507 463 HG3 LYS 62 1HG LYS 62 3.953 -16.751 17.891 464 HD2 LYS 62 2HD LYS 62 6.350 -16.678 18.035 465 HD3 LYS 62 1HD LYS 62 6.327 -14.953 18.407 466 HE2 LYS 62 2HE LYS 62 5.141 -15.450 20.514 467 HE3 LYS 62 1HE LYS 62 5.248 -17.171 20.153 468 HZ1 LYS 62 3HZ LYS 62 7.635 -15.426 20.375 469 HZ2 LYS 62 1HZ LYS 62 7.584 -17.117 20.362 470 HZ3 LYS 62 2HZ LYS 62 6.986 -16.260 21.691 471 H ASN 63 H ASN 63 6.296 -14.004 14.142 472 HA ASN 63 HA ASN 63 8.888 -14.674 15.169 473 HB2 ASN 63 2HB ASN 63 8.054 -13.762 12.403 474 HB3 ASN 63 1HB ASN 63 9.628 -14.431 12.811 475 HD21 ASN 63 1HD2 ASN 63 7.554 -15.331 10.961 476 HD22 ASN 63 2HD2 ASN 63 7.201 -16.954 11.413 477 H ASP 64 H ASP 64 7.814 -12.052 16.122 478 HA ASP 64 HA ASP 64 8.329 -9.851 16.344 479 HB2 ASP 64 2HB ASP 64 11.105 -10.833 15.614 480 HB3 ASP 64 1HB ASP 64 10.732 -9.303 16.399 481 H LYS 65 H LYS 65 7.027 -10.061 14.140 482 HA LYS 65 HA LYS 65 8.589 -8.707 12.016 483 HB2 LYS 65 2HB LYS 65 5.991 -10.185 11.589 484 HB3 LYS 65 1HB LYS 65 7.152 -9.677 10.378 485 HG2 LYS 65 2HG LYS 65 8.149 -11.584 12.411 486 HG3 LYS 65 1HG LYS 65 6.934 -12.199 11.295 487 HD2 LYS 65 2HD LYS 65 9.149 -12.657 10.443 488 HD3 LYS 65 1HD LYS 65 8.338 -11.497 9.398 489 HE2 LYS 65 2HE LYS 65 10.600 -10.773 9.671 490 HE3 LYS 65 1HE LYS 65 9.585 -9.677 10.607 491 HZ1 LYS 65 3HZ LYS 65 11.005 -12.004 11.781 492 HZ2 LYS 65 1HZ LYS 65 10.221 -10.758 12.612 493 HZ3 LYS 65 2HZ LYS 65 11.643 -10.440 11.754 494 HA PRO 66 HA PRO 66 5.542 -5.541 13.429 495 HB2 PRO 66 2HB PRO 66 7.155 -3.394 13.078 496 HB3 PRO 66 1HB PRO 66 7.224 -4.406 14.524 497 HG2 PRO 66 2HG PRO 66 8.991 -4.447 12.102 498 HG3 PRO 66 1HG PRO 66 9.440 -4.540 13.815 499 HD2 PRO 66 2HD PRO 66 9.273 -6.736 12.215 500 HD3 PRO 66 1HD PRO 66 8.939 -6.787 13.957 501 H TYR 67 H TYR 67 4.035 -4.911 12.002 502 HA TYR 67 HA TYR 67 4.782 -3.378 9.673 503 HD1 TYR 67 HD2 TYR 67 4.160 -7.318 10.709 504 HD2 TYR 67 HD1 TYR 67 1.455 -5.582 7.902 505 HE1 TYR 67 HE2 TYR 67 2.530 -9.092 11.184 506 HE2 TYR 67 HE1 TYR 67 -0.174 -7.359 8.375 507 HH TYR 67 HH TYR 67 0.004 -9.376 11.020 508 HB2 TYR 67 2HB TYR 67 3.640 -4.754 8.025 509 HB3 TYR 67 1HB TYR 67 4.905 -5.693 8.802 510 H PHE 68 H PHE 68 2.605 -2.837 8.401 511 HA PHE 68 HA PHE 68 0.298 -2.727 10.179 512 HD1 PHE 68 HD2 PHE 68 3.605 -0.436 9.077 513 HD2 PHE 68 HD1 PHE 68 -0.318 0.995 8.223 514 HE1 PHE 68 HE2 PHE 68 4.520 1.036 7.329 515 HE2 PHE 68 HE1 PHE 68 0.593 2.463 6.474 516 HZ PHE 68 HZ PHE 68 3.017 2.485 6.025 517 HB2 PHE 68 2HB PHE 68 0.052 -0.340 10.134 518 HB3 PHE 68 1HB PHE 68 1.679 -0.694 10.696 519 H ASN 69 H ASN 69 -1.673 -2.188 9.135 520 HA ASN 69 HA ASN 69 -1.600 -2.288 6.187 521 HB2 ASN 69 2HB ASN 69 -3.931 -2.811 8.056 522 HB3 ASN 69 1HB ASN 69 -3.965 -2.959 6.302 523 HD21 ASN 69 1HD2 ASN 69 -2.842 -4.682 5.318 524 HD22 ASN 69 2HD2 ASN 69 -2.383 -6.079 6.228 525 H LEU 70 H LEU 70 -2.996 -0.856 5.003 526 HA LEU 70 HA LEU 70 -3.587 1.651 6.435 527 HG LEU 70 HG LEU 70 -4.347 3.267 3.880 528 HB2 LEU 70 2HB LEU 70 -1.823 1.812 4.708 529 HB3 LEU 70 1HB LEU 70 -2.964 1.241 3.504 530 HD11 LEU 70 1HD1 LEU 70 -3.735 3.735 6.184 531 HD12 LEU 70 2HD1 LEU 70 -3.416 5.138 5.163 532 HD13 LEU 70 3HD1 LEU 70 -2.083 4.109 5.691 533 HD21 LEU 70 3HD2 LEU 70 -1.462 3.860 3.200 534 HD22 LEU 70 1HD2 LEU 70 -2.861 4.839 2.756 535 HD23 LEU 70 2HD2 LEU 70 -2.672 3.219 2.087 536 H LYS 71 H LYS 71 -5.642 2.185 6.631 537 HA LYS 71 HA LYS 71 -7.652 0.892 4.895 538 HB2 LYS 71 2HB LYS 71 -7.864 1.985 7.707 539 HB3 LYS 71 1HB LYS 71 -9.256 1.485 6.757 540 HG2 LYS 71 2HG LYS 71 -8.228 -0.802 6.629 541 HG3 LYS 71 1HG LYS 71 -7.005 -0.244 7.776 542 HD2 LYS 71 2HD LYS 71 -8.792 0.309 9.386 543 HD3 LYS 71 1HD LYS 71 -9.996 -0.285 8.242 544 HE2 LYS 71 2HE LYS 71 -9.626 -2.011 9.830 545 HE3 LYS 71 1HE LYS 71 -8.851 -2.514 8.333 546 HZ1 LYS 71 3HZ LYS 71 -7.419 -1.248 10.601 547 HZ2 LYS 71 1HZ LYS 71 -6.727 -1.932 9.218 548 HZ3 LYS 71 2HZ LYS 71 -7.509 -2.914 10.350 549 H ALA 72 H ALA 72 -9.310 2.139 3.975 550 HA ALA 72 HA ALA 72 -8.892 5.022 3.839 551 HB1 ALA 72 3HB ALA 72 -9.506 3.758 1.807 552 HB2 ALA 72 1HB ALA 72 -10.669 5.028 2.184 553 HB3 ALA 72 2HB ALA 72 -11.052 3.346 2.548 554 H ALA 73 H ALA 73 -11.134 6.325 3.920 555 HA ALA 73 HA ALA 73 -11.892 6.556 6.562 556 HB1 ALA 73 3HB ALA 73 -13.592 7.288 4.179 557 HB2 ALA 73 1HB ALA 73 -12.291 8.273 4.851 558 HB3 ALA 73 2HB ALA 73 -13.734 7.944 5.810 559 H ASN 74 H ASN 74 -13.525 4.638 4.045 560 HA ASN 74 HA ASN 74 -15.651 3.790 5.792 561 HB2 ASN 74 2HB ASN 74 -15.719 4.010 3.237 562 HB3 ASN 74 1HB ASN 74 -14.860 2.476 3.189 563 HD21 ASN 74 1HD2 ASN 74 -15.949 0.600 3.720 564 HD22 ASN 74 2HD2 ASN 74 -17.661 0.540 3.918 565 H HIS 75 H HIS 75 -12.582 3.098 6.148 566 HA HIS 75 HA HIS 75 -11.464 1.580 7.411 567 HD1 HIS 75 HD1 HIS 75 -15.421 2.403 8.687 568 HD2 HIS 75 HD2 HIS 75 -11.718 1.857 10.486 569 HE1 HIS 75 HE1 HIS 75 -15.335 4.062 10.569 570 HE2 HIS 75 HE2 HIS 75 -13.153 3.612 11.729 571 HB2 HIS 75 2HB HIS 75 -14.202 0.362 7.828 572 HB3 HIS 75 1HB HIS 75 -12.747 -0.131 8.690 573 H GLN 76 H GLN 76 -12.231 1.127 4.504 574 HA GLN 76 HA GLN 76 -12.094 -1.729 4.139 575 HB2 GLN 76 2HB GLN 76 -12.112 -1.209 1.768 576 HB3 GLN 76 1HB GLN 76 -13.318 -0.226 2.589 577 HG2 GLN 76 2HG GLN 76 -11.440 1.567 2.668 578 HG3 GLN 76 1HG GLN 76 -10.704 0.600 1.390 579 HE21 GLN 76 1HE2 GLN 76 -13.285 2.715 2.254 580 HE22 GLN 76 2HE2 GLN 76 -13.903 2.954 0.657 581 H ILE 77 H ILE 77 -10.303 -2.935 3.464 582 HA ILE 77 HA ILE 77 -7.711 -1.850 4.122 583 HB ILE 77 HB ILE 77 -8.391 -4.541 2.905 584 HG12 ILE 77 2HG1 ILE 77 -9.451 -4.194 5.119 585 HG13 ILE 77 1HG1 ILE 77 -8.201 -5.431 5.182 586 HG21 ILE 77 1HG2 ILE 77 -6.165 -5.221 3.712 587 HG22 ILE 77 2HG2 ILE 77 -5.857 -3.566 4.241 588 HG23 ILE 77 3HG2 ILE 77 -6.065 -3.919 2.525 589 HD11 ILE 77 3HD1 ILE 77 -6.661 -3.831 6.180 590 HD12 ILE 77 1HD1 ILE 77 -8.137 -3.983 7.131 591 HD13 ILE 77 2HD1 ILE 77 -7.899 -2.578 6.094 592 H ILE 78 H ILE 78 -6.854 -0.417 2.708 593 HA ILE 78 HA ILE 78 -7.077 -0.948 -0.178 594 HB ILE 78 HB ILE 78 -6.312 1.367 -0.512 595 HG12 ILE 78 2HG1 ILE 78 -6.376 1.537 2.516 596 HG13 ILE 78 1HG1 ILE 78 -4.928 1.586 1.517 597 HG21 ILE 78 1HG2 ILE 78 -8.335 2.486 0.326 598 HG22 ILE 78 2HG2 ILE 78 -8.659 1.107 1.376 599 HG23 ILE 78 3HG2 ILE 78 -8.699 0.911 -0.376 600 HD11 ILE 78 3HD1 ILE 78 -7.140 3.625 1.566 601 HD12 ILE 78 1HD1 ILE 78 -5.738 3.671 0.495 602 HD13 ILE 78 2HD1 ILE 78 -5.520 3.800 2.239 603 H GLY 79 H GLY 79 -4.733 -0.923 2.404 604 HA2 GLY 79 2HA GLY 79 -2.733 -1.902 0.500 605 HA3 GLY 79 1HA GLY 79 -2.319 -0.429 1.360 606 H THR 80 H THR 80 -1.050 -3.084 1.375 607 HA THR 80 HA THR 80 -0.971 -3.404 4.312 608 HB THR 80 HB THR 80 -0.774 -5.634 2.260 609 HG1 THR 80 HG1 THR 80 -2.843 -5.796 2.654 610 HG21 THR 80 3HG2 THR 80 0.817 -6.022 4.073 611 HG22 THR 80 1HG2 THR 80 -0.537 -7.146 4.195 612 HG23 THR 80 2HG2 THR 80 -0.452 -5.748 5.266 613 H SER 81 H SER 81 1.001 -2.810 5.055 614 HA SER 81 HA SER 81 3.200 -2.375 3.261 615 HG SER 81 HG SER 81 2.407 -2.948 6.611 616 HB2 SER 81 2HB SER 81 4.448 -1.612 5.205 617 HB3 SER 81 1HB SER 81 2.819 -0.947 5.265 618 H GLN 82 H GLN 82 5.349 -3.261 3.502 619 HA GLN 82 HA GLN 82 5.394 -6.106 3.729 620 HB2 GLN 82 2HB GLN 82 7.812 -4.290 3.652 621 HB3 GLN 82 1HB GLN 82 7.689 -5.950 3.088 622 HG2 GLN 82 2HG GLN 82 6.408 -3.519 1.844 623 HG3 GLN 82 1HG GLN 82 7.755 -4.450 1.200 624 HE21 GLN 82 1HE2 GLN 82 6.570 -7.020 1.879 625 HE22 GLN 82 2HE2 GLN 82 5.274 -7.266 0.768 626 H MET 83 H MET 83 6.612 -7.391 5.245 627 HA MET 83 HA MET 83 6.577 -6.271 7.935 628 HB2 MET 83 2HB MET 83 6.816 -8.541 8.733 629 HB3 MET 83 1HB MET 83 5.556 -8.488 7.511 630 HG2 MET 83 2HG MET 83 8.377 -9.469 7.107 631 HG3 MET 83 1HG MET 83 6.943 -10.474 7.289 632 HE1 MET 83 3HE MET 83 8.982 -10.830 4.903 633 HE2 MET 83 1HE MET 83 7.888 -11.007 3.532 634 HE3 MET 83 2HE MET 83 7.514 -11.797 5.063 635 H TYR 84 H TYR 84 8.325 -5.631 9.041 636 HA TYR 84 HA TYR 84 10.959 -5.998 7.783 637 HD1 TYR 84 HD1 TYR 84 8.265 -3.619 7.750 638 HD2 TYR 84 HD2 TYR 84 12.454 -2.893 7.481 639 HE1 TYR 84 HE1 TYR 84 7.884 -2.183 5.791 640 HE2 TYR 84 HE2 TYR 84 12.082 -1.457 5.521 641 HH TYR 84 HH TYR 84 10.396 -1.142 3.755 642 HB2 TYR 84 2HB TYR 84 9.925 -3.939 9.742 643 HB3 TYR 84 1HB TYR 84 11.628 -4.082 9.317 644 H SER 85 H SER 85 12.822 -5.882 9.450 645 HA SER 85 HA SER 85 12.357 -7.961 11.485 646 HG SER 85 HG SER 85 14.557 -8.360 8.805 647 HB2 SER 85 2HB SER 85 14.954 -6.939 10.286 648 HB3 SER 85 1HB SER 85 14.825 -8.231 11.477 649 H SER 86 H SER 86 13.514 -4.661 11.075 650 HA SER 86 HA SER 86 13.908 -4.420 13.994 651 HG SER 86 HG SER 86 16.964 -3.411 12.586 652 HB2 SER 86 2HB SER 86 14.891 -2.598 11.776 653 HB3 SER 86 1HB SER 86 15.215 -2.387 13.496 654 H THR 87 H THR 87 12.757 -2.948 15.188 655 HA THR 87 HA THR 87 10.267 -2.007 14.196 656 HB THR 87 HB THR 87 10.066 -0.811 16.374 657 HG1 THR 87 HG1 THR 87 11.749 -0.736 17.764 658 HG21 THR 87 3HG2 THR 87 11.052 -3.666 16.566 659 HG22 THR 87 1HG2 THR 87 9.396 -3.157 16.236 660 HG23 THR 87 2HG2 THR 87 10.126 -2.821 17.806 661 H ALA 88 H ALA 88 13.378 -0.385 14.746 662 HA ALA 88 HA ALA 88 12.513 2.248 14.194 663 HB1 ALA 88 3HB ALA 88 14.656 1.731 15.273 664 HB2 ALA 88 1HB ALA 88 14.862 2.781 13.871 665 HB3 ALA 88 2HB ALA 88 15.256 1.064 13.754 666 H ALA 89 H ALA 89 14.034 -0.169 12.038 667 HA ALA 89 HA ALA 89 13.879 1.227 9.636 668 HB1 ALA 89 3HB ALA 89 13.533 -1.748 10.061 669 HB2 ALA 89 1HB ALA 89 15.066 -0.895 9.869 670 HB3 ALA 89 2HB ALA 89 13.921 -0.963 8.529 671 H ARG 90 H ARG 90 11.390 -0.723 11.238 672 HA ARG 90 HA ARG 90 9.382 -0.508 9.262 673 HE ARG 90 HE ARG 90 6.952 0.625 9.015 674 HB2 ARG 90 2HB ARG 90 9.599 -1.857 11.591 675 HB3 ARG 90 1HB ARG 90 8.581 -0.538 12.137 676 HG2 ARG 90 2HG ARG 90 7.942 -2.408 9.854 677 HG3 ARG 90 1HG ARG 90 7.311 -2.544 11.491 678 HD2 ARG 90 2HD ARG 90 5.574 -1.505 10.353 679 HD3 ARG 90 1HD ARG 90 6.411 -0.147 11.101 680 HH11 ARG 90 1HH1 ARG 90 5.962 -2.663 8.741 681 HH12 ARG 90 2HH1 ARG 90 5.917 -2.629 7.016 682 HH21 ARG 90 1HH2 ARG 90 6.880 0.667 6.792 683 HH22 ARG 90 2HH2 ARG 90 6.426 -0.753 5.925 684 H ASP 91 H ASP 91 10.032 1.441 12.166 685 HA ASP 91 HA ASP 91 7.985 3.320 11.969 686 HB2 ASP 91 2HB ASP 91 9.449 3.003 13.937 687 HB3 ASP 91 1HB ASP 91 10.800 3.679 13.039 688 H ASN 92 H ASN 92 11.380 3.755 10.902 689 HA ASN 92 HA ASN 92 10.966 6.092 9.410 690 HB2 ASN 92 2HB ASN 92 13.049 3.927 9.036 691 HB3 ASN 92 1HB ASN 92 13.113 5.523 8.290 692 HD21 ASN 92 1HD2 ASN 92 14.935 4.237 10.184 693 HD22 ASN 92 2HD2 ASN 92 15.035 5.302 11.537 694 H GLY 93 H GLY 93 10.521 2.714 8.558 695 HA2 GLY 93 2HA GLY 93 10.064 2.967 5.802 696 HA3 GLY 93 1HA GLY 93 9.328 1.755 6.844 697 H ILE 94 H ILE 94 7.838 3.429 8.537 698 HA ILE 94 HA ILE 94 5.503 3.970 7.035 699 HB ILE 94 HB ILE 94 6.252 5.061 9.765 700 HG12 ILE 94 2HG1 ILE 94 4.701 2.564 9.006 701 HG13 ILE 94 1HG1 ILE 94 6.321 2.599 9.690 702 HG21 ILE 94 1HG2 ILE 94 4.407 6.297 8.738 703 HG22 ILE 94 2HG2 ILE 94 3.841 5.338 10.104 704 HG23 ILE 94 3HG2 ILE 94 3.539 4.788 8.455 705 HD11 ILE 94 3HD1 ILE 94 4.689 2.023 11.373 706 HD12 ILE 94 1HD1 ILE 94 3.800 3.514 11.056 707 HD13 ILE 94 2HD1 ILE 94 5.423 3.583 11.743 708 H LYS 95 H LYS 95 8.012 6.125 8.343 709 HA LYS 95 HA LYS 95 7.054 8.571 7.369 710 HB2 LYS 95 2HB LYS 95 9.934 7.672 7.657 711 HB3 LYS 95 1HB LYS 95 9.386 9.341 7.544 712 HG2 LYS 95 2HG LYS 95 8.308 9.221 9.664 713 HG3 LYS 95 1HG LYS 95 8.519 7.470 9.740 714 HD2 LYS 95 2HD LYS 95 10.986 7.828 9.794 715 HD3 LYS 95 1HD LYS 95 10.692 9.568 9.867 716 HE2 LYS 95 2HE LYS 95 9.615 9.379 11.981 717 HE3 LYS 95 1HE LYS 95 9.561 7.619 11.869 718 HZ1 LYS 95 3HZ LYS 95 12.019 9.265 12.121 719 HZ2 LYS 95 1HZ LYS 95 11.974 7.575 12.009 720 HZ3 LYS 95 2HZ LYS 95 11.304 8.351 13.352 721 H SER 96 H SER 96 8.956 6.053 5.769 722 HA SER 96 HA SER 96 9.449 7.425 3.340 723 HG SER 96 HG SER 96 10.988 5.203 4.976 724 HB2 SER 96 2HB SER 96 9.247 4.446 3.889 725 HB3 SER 96 1HB SER 96 9.855 5.149 2.390 726 H VAL 97 H VAL 97 6.702 5.539 4.493 727 HA VAL 97 HA VAL 97 5.263 5.474 2.036 728 HB VAL 97 HB VAL 97 4.116 5.472 4.838 729 HG11 VAL 97 1HG1 VAL 97 2.975 4.414 2.250 730 HG12 VAL 97 2HG1 VAL 97 2.444 5.868 3.095 731 HG13 VAL 97 3HG1 VAL 97 2.222 4.284 3.840 732 HG21 VAL 97 3HG2 VAL 97 5.829 3.734 4.576 733 HG22 VAL 97 1HG2 VAL 97 4.976 3.115 3.162 734 HG23 VAL 97 2HG2 VAL 97 4.217 3.043 4.752 735 H MET 98 H MET 98 5.228 7.713 4.799 736 HA MET 98 HA MET 98 3.326 9.547 3.824 737 HB2 MET 98 2HB MET 98 5.718 10.082 5.604 738 HB3 MET 98 1HB MET 98 4.341 11.152 5.396 739 HG2 MET 98 2HG MET 98 2.875 9.504 6.404 740 HG3 MET 98 1HG MET 98 4.224 8.374 6.554 741 HE1 MET 98 3HE MET 98 3.766 8.060 9.173 742 HE2 MET 98 1HE MET 98 2.378 9.135 9.023 743 HE3 MET 98 2HE MET 98 3.574 9.410 10.290 744 H GLU 99 H GLU 99 6.682 9.082 3.037 745 HA GLU 99 HA GLU 99 7.029 11.597 1.675 746 HB2 GLU 99 2HB GLU 99 8.951 10.591 2.695 747 HB3 GLU 99 1HB GLU 99 8.685 9.074 1.854 748 HG2 GLU 99 2HG GLU 99 10.564 10.271 0.906 749 HG3 GLU 99 1HG GLU 99 9.257 10.135 -0.269 750 H ASN 100 H ASN 100 6.883 8.198 0.553 751 HA ASN 100 HA ASN 100 6.818 9.077 -2.213 752 HB2 ASN 100 2HB ASN 100 6.853 6.311 -0.989 753 HB3 ASN 100 1HB ASN 100 6.887 6.629 -2.723 754 HD21 ASN 100 1HD2 ASN 100 8.669 6.794 0.249 755 HD22 ASN 100 2HD2 ASN 100 10.205 7.123 -0.464 756 H GLY 101 H GLY 101 4.460 8.297 0.141 757 HA2 GLY 101 2HA GLY 101 2.462 7.190 -1.594 758 HA3 GLY 101 1HA GLY 101 2.193 7.844 0.013 759 H LYS 102 H LYS 102 3.695 10.294 -1.404 760 HA LYS 102 HA LYS 102 1.228 11.734 -1.947 761 HB2 LYS 102 2HB LYS 102 4.094 12.713 -2.008 762 HB3 LYS 102 1HB LYS 102 2.646 13.712 -1.964 763 HG2 LYS 102 2HG LYS 102 2.153 13.057 0.266 764 HG3 LYS 102 1HG LYS 102 3.365 11.774 0.228 765 HD2 LYS 102 2HD LYS 102 4.201 13.662 1.505 766 HD3 LYS 102 1HD LYS 102 5.140 13.481 0.024 767 HE2 LYS 102 2HE LYS 102 4.662 15.822 0.423 768 HE3 LYS 102 1HE LYS 102 3.804 15.275 -1.017 769 HZ1 LYS 102 3HZ LYS 102 2.612 15.570 1.687 770 HZ2 LYS 102 1HZ LYS 102 1.789 15.087 0.292 771 HZ3 LYS 102 2HZ LYS 102 2.413 16.651 0.405 772 H THR 103 H THR 103 2.980 9.761 -3.831 773 HA THR 103 HA THR 103 3.477 11.449 -6.133 774 HB THR 103 HB THR 103 4.993 9.583 -5.657 775 HG1 THR 103 HG1 THR 103 5.086 8.812 -7.786 776 HG21 THR 103 3HG2 THR 103 2.679 7.770 -6.374 777 HG22 THR 103 1HG2 THR 103 3.301 8.012 -4.740 778 HG23 THR 103 2HG2 THR 103 4.324 7.276 -5.972 779 H THR 104 H THR 104 2.442 11.399 -8.121 780 HA THR 104 HA THR 104 -0.214 10.101 -8.176 781 HB THR 104 HB THR 104 -0.818 11.727 -9.929 782 HG1 THR 104 HG1 THR 104 0.606 13.243 -10.623 783 HG21 THR 104 3HG2 THR 104 -0.891 13.735 -8.521 784 HG22 THR 104 1HG2 THR 104 0.317 13.031 -7.444 785 HG23 THR 104 2HG2 THR 104 -1.278 12.290 -7.586 786 H THR 105 H THR 105 2.836 9.559 -9.293 787 HA THR 105 HA THR 105 2.378 8.926 -12.035 788 HB THR 105 HB THR 105 4.543 7.812 -10.224 789 HG1 THR 105 HG1 THR 105 4.588 10.086 -11.962 790 HG21 THR 105 3HG2 THR 105 5.788 7.502 -12.355 791 HG22 THR 105 1HG2 THR 105 4.337 7.974 -13.240 792 HG23 THR 105 2HG2 THR 105 4.335 6.505 -12.262 793 H ILE 106 H ILE 106 0.690 7.541 -12.402 794 HA ILE 106 HA ILE 106 0.729 4.932 -11.020 795 HB ILE 106 HB ILE 106 -1.577 6.195 -12.525 796 HG12 ILE 106 2HG1 ILE 106 -1.120 5.932 -9.536 797 HG13 ILE 106 1HG1 ILE 106 -1.012 7.430 -10.453 798 HG21 ILE 106 1HG2 ILE 106 -2.923 4.407 -11.525 799 HG22 ILE 106 2HG2 ILE 106 -1.480 3.735 -10.763 800 HG23 ILE 106 3HG2 ILE 106 -1.629 3.740 -12.522 801 HD11 ILE 106 3HD1 ILE 106 -3.389 7.238 -11.017 802 HD12 ILE 106 1HD1 ILE 106 -3.113 7.302 -9.277 803 HD13 ILE 106 2HD1 ILE 106 -3.486 5.763 -10.053 804 H LYS 107 H LYS 107 1.405 3.233 -12.131 805 HA LYS 107 HA LYS 107 1.445 3.325 -15.082 806 HB2 LYS 107 2HB LYS 107 3.080 1.625 -13.184 807 HB3 LYS 107 1HB LYS 107 3.247 1.668 -14.934 808 HG2 LYS 107 2HG LYS 107 4.022 3.961 -14.847 809 HG3 LYS 107 1HG LYS 107 3.742 4.021 -13.106 810 HD2 LYS 107 2HD LYS 107 6.122 3.669 -13.641 811 HD3 LYS 107 1HD LYS 107 5.440 2.308 -12.746 812 HE2 LYS 107 2HE LYS 107 5.111 1.136 -14.928 813 HE3 LYS 107 1HE LYS 107 5.974 2.458 -15.714 814 HZ1 LYS 107 3HZ LYS 107 7.880 1.938 -14.237 815 HZ2 LYS 107 1HZ LYS 107 7.491 0.695 -15.316 816 HZ3 LYS 107 2HZ LYS 107 7.041 0.569 -13.692 817 H ASP 108 H ASP 108 -0.052 2.069 -16.079 818 HA ASP 108 HA ASP 108 -1.395 -0.023 -14.593 819 HB2 ASP 108 2HB ASP 108 -2.655 1.494 -16.122 820 HB3 ASP 108 1HB ASP 108 -1.803 0.770 -17.486 821 H LEU 109 H LEU 109 -0.384 -1.892 -14.378 822 HA LEU 109 HA LEU 109 1.075 -3.057 -16.653 823 HG LEU 109 HG LEU 109 1.950 -1.912 -13.546 824 HB2 LEU 109 2HB LEU 109 1.015 -4.105 -13.825 825 HB3 LEU 109 1HB LEU 109 2.161 -4.495 -15.094 826 HD11 LEU 109 1HD1 LEU 109 4.125 -3.994 -13.737 827 HD12 LEU 109 2HD1 LEU 109 3.061 -3.710 -12.360 828 HD13 LEU 109 3HD1 LEU 109 4.229 -2.479 -12.839 829 HD21 LEU 109 3HD2 LEU 109 2.446 -1.336 -15.845 830 HD22 LEU 109 1HD2 LEU 109 3.719 -2.554 -15.907 831 HD23 LEU 109 2HD2 LEU 109 3.896 -1.147 -14.860 832 H THR 110 H THR 110 -1.998 -3.059 -15.589 833 HA THR 110 HA THR 110 -2.633 -5.810 -15.249 834 HB THR 110 HB THR 110 -4.945 -5.228 -15.412 835 HG1 THR 110 HG1 THR 110 -4.293 -2.621 -16.355 836 HG21 THR 110 3HG2 THR 110 -3.838 -4.420 -13.385 837 HG22 THR 110 1HG2 THR 110 -5.136 -3.329 -13.871 838 HG23 THR 110 2HG2 THR 110 -3.457 -2.897 -14.190 839 H LEU 111 H LEU 111 -2.891 -3.646 -18.065 840 HA LEU 111 HA LEU 111 -3.693 -5.559 -19.963 841 HG LEU 111 HG LEU 111 -4.021 -2.493 -19.359 842 HB2 LEU 111 2HB LEU 111 -1.849 -3.191 -20.374 843 HB3 LEU 111 1HB LEU 111 -2.742 -4.027 -21.632 844 HD11 LEU 111 1HD1 LEU 111 -4.566 -0.802 -21.065 845 HD12 LEU 111 2HD1 LEU 111 -3.569 -1.675 -22.230 846 HD13 LEU 111 3HD1 LEU 111 -2.830 -0.956 -20.797 847 HD21 LEU 111 3HD2 LEU 111 -6.073 -2.707 -20.684 848 HD22 LEU 111 1HD2 LEU 111 -5.434 -4.282 -20.215 849 HD23 LEU 111 2HD2 LEU 111 -5.211 -3.694 -21.863 850 H GLU 112 H GLU 112 -0.418 -4.331 -19.335 851 HA GLU 112 HA GLU 112 0.832 -6.813 -19.046 852 HB2 GLU 112 2HB GLU 112 2.229 -6.798 -21.156 853 HB3 GLU 112 1HB GLU 112 0.546 -7.244 -21.374 854 HG2 GLU 112 2HG GLU 112 1.163 -5.841 -23.187 855 HG3 GLU 112 1HG GLU 112 0.090 -4.917 -22.141 856 H HIS 113 H HIS 113 3.340 -6.522 -19.137 857 HA HIS 113 HA HIS 113 4.018 -3.702 -18.577 858 HD1 HIS 113 HD1 HIS 113 5.776 -4.846 -14.479 859 HD2 HIS 113 HD2 HIS 113 6.157 -2.592 -17.949 860 HE1 HIS 113 HE1 HIS 113 7.323 -2.958 -13.891 861 HE2 HIS 113 HE2 HIS 113 7.562 -1.627 -16.012 862 HB2 HIS 113 2HB HIS 113 3.788 -5.070 -16.470 863 HB3 HIS 113 1HB HIS 113 5.153 -6.034 -17.018 864 H HIS 114 H HIS 114 4.752 -3.682 -20.770 865 HA HIS 114 HA HIS 114 6.934 -5.171 -21.734 866 HD1 HIS 114 HD1 HIS 114 3.709 -2.470 -22.321 867 HD2 HIS 114 HD2 HIS 114 7.413 -0.578 -22.332 868 HE1 HIS 114 HE1 HIS 114 3.238 -0.055 -21.831 869 HE2 HIS 114 HE2 HIS 114 5.499 1.033 -21.685 870 HB2 HIS 114 2HB HIS 114 7.240 -3.212 -23.307 871 HB3 HIS 114 1HB HIS 114 5.625 -3.912 -23.291 872 H HIS 115 H HIS 115 9.123 -4.894 -21.658 873 HA HIS 115 HA HIS 115 11.171 -4.206 -20.987 874 HD1 HIS 115 HD1 HIS 115 13.114 -2.516 -22.337 875 HD2 HIS 115 HD2 HIS 115 11.771 -0.231 -19.138 876 HE1 HIS 115 HE1 HIS 115 15.136 -1.308 -21.479 877 HE2 HIS 115 HE2 HIS 115 14.330 -0.061 -19.454 878 HB2 HIS 115 2HB HIS 115 10.486 -2.155 -22.210 879 HB3 HIS 115 1HB HIS 115 9.872 -1.484 -20.704 880 H HIS 116 H HIS 116 10.440 -5.594 -19.055 881 HA HIS 116 HA HIS 116 10.962 -4.006 -16.620 882 HD1 HIS 116 HD1 HIS 116 9.955 -3.938 -14.096 883 HD2 HIS 116 HD2 HIS 116 9.297 -7.990 -14.745 884 HE1 HIS 116 HE1 HIS 116 10.076 -5.007 -11.831 885 HE2 HIS 116 HE2 HIS 116 9.561 -7.435 -12.232 886 HB2 HIS 116 2HB HIS 116 8.665 -4.733 -16.475 887 HB3 HIS 116 1HB HIS 116 9.104 -6.379 -16.912 888 H HIS 117 H HIS 117 13.142 -4.382 -16.580 889 HA HIS 117 HA HIS 117 14.069 -6.892 -15.573 890 HD1 HIS 117 HD1 HIS 117 17.452 -6.306 -18.066 891 HD2 HIS 117 HD2 HIS 117 15.348 -9.667 -16.816 892 HE1 HIS 117 HE1 HIS 117 19.180 -8.080 -17.690 893 HE2 HIS 117 HE2 HIS 117 17.905 -10.058 -16.817 894 HB2 HIS 117 2HB HIS 117 13.928 -7.492 -17.959 895 HB3 HIS 117 1HB HIS 117 14.915 -6.098 -18.379 896 H HIS 118 H HIS 118 15.938 -6.593 -14.416 897 HA HIS 118 HA HIS 118 17.003 -3.942 -14.159 898 HD1 HIS 118 HD1 HIS 118 17.499 -3.535 -10.934 899 HD2 HIS 118 HD2 HIS 118 15.249 -6.876 -11.951 900 HE1 HIS 118 HE1 HIS 118 15.599 -3.587 -9.302 901 HE2 HIS 118 HE2 HIS 118 14.398 -5.736 -9.794 902 HB2 HIS 118 2HB HIS 118 17.902 -6.584 -12.983 903 HB3 HIS 118 1HB HIS 118 18.663 -5.041 -12.606 Start of MODEL 18 1 HA MET 1 HA MET 1 13.763 9.954 -4.269 2 H1 MET 1 1H MET 1 13.293 11.517 -2.501 3 H2 MET 1 2H MET 1 14.437 10.376 -2.008 4 H3 MET 1 3H MET 1 12.841 10.253 -1.468 5 HB2 MET 1 2HB MET 1 12.805 7.924 -2.241 6 HB3 MET 1 1HB MET 1 12.961 7.582 -3.959 7 HG2 MET 1 2HG MET 1 15.176 8.337 -2.068 8 HG3 MET 1 1HG MET 1 14.886 6.751 -2.782 9 HE1 MET 1 3HE MET 1 15.613 7.469 -6.590 10 HE2 MET 1 1HE MET 1 14.055 7.533 -5.767 11 HE3 MET 1 2HE MET 1 15.187 6.228 -5.409 12 H SER 2 H SER 2 12.165 9.425 -5.794 13 HA SER 2 HA SER 2 9.412 10.164 -5.046 14 HG SER 2 HG SER 2 10.721 9.015 -8.205 15 HB2 SER 2 2HB SER 2 9.063 10.470 -7.495 16 HB3 SER 2 1HB SER 2 10.345 11.497 -6.860 17 H GLY 3 H GLY 3 8.287 8.393 -4.463 18 HA2 GLY 3 2HA GLY 3 8.776 5.792 -5.624 19 HA3 GLY 3 1HA GLY 3 7.547 6.189 -4.435 20 H TRP 4 H TRP 4 6.747 4.466 -6.269 21 HA TRP 4 HA TRP 4 4.784 5.983 -7.795 22 HD1 TRP 4 HD1 TRP 4 5.382 2.244 -10.131 23 HE1 TRP 4 HE1 TRP 4 7.334 0.572 -10.048 24 HE3 TRP 4 HE3 TRP 4 8.983 5.296 -8.166 25 HZ2 TRP 4 HZ2 TRP 4 10.038 0.543 -9.248 26 HZ3 TRP 4 HZ3 TRP 4 11.229 4.367 -7.773 27 HH2 TRP 4 HH2 TRP 4 11.745 2.039 -8.304 28 HB2 TRP 4 2HB TRP 4 5.249 4.874 -9.913 29 HB3 TRP 4 1HB TRP 4 6.686 5.726 -9.360 30 H TYR 5 H TYR 5 3.063 4.615 -8.693 31 HA TYR 5 HA TYR 5 2.624 2.199 -7.047 32 HD1 TYR 5 HD1 TYR 5 1.756 5.922 -7.112 33 HD2 TYR 5 HD2 TYR 5 -0.160 2.609 -5.254 34 HE1 TYR 5 HE1 TYR 5 1.585 7.202 -5.020 35 HE2 TYR 5 HE2 TYR 5 -0.333 3.875 -3.154 36 HH TYR 5 HH TYR 5 0.112 7.174 -2.953 37 HB2 TYR 5 2HB TYR 5 0.644 4.032 -8.433 38 HB3 TYR 5 1HB TYR 5 0.202 2.566 -7.569 39 H GLU 6 H GLU 6 2.690 0.267 -8.069 40 HA GLU 6 HA GLU 6 2.237 0.189 -10.985 41 HB2 GLU 6 2HB GLU 6 3.639 -1.748 -9.138 42 HB3 GLU 6 1HB GLU 6 3.248 -2.132 -10.809 43 HG2 GLU 6 2HG GLU 6 4.609 -0.198 -11.532 44 HG3 GLU 6 1HG GLU 6 5.056 0.081 -9.851 45 H LEU 7 H LEU 7 0.175 -0.204 -11.465 46 HA LEU 7 HA LEU 7 -1.435 -2.003 -9.806 47 HG LEU 7 HG LEU 7 -3.685 -2.359 -11.699 48 HB2 LEU 7 2HB LEU 7 -2.428 0.126 -10.544 49 HB3 LEU 7 1HB LEU 7 -2.176 -0.334 -12.218 50 HD11 LEU 7 1HD1 LEU 7 -3.642 -2.153 -9.266 51 HD12 LEU 7 2HD1 LEU 7 -5.286 -2.071 -9.895 52 HD13 LEU 7 3HD1 LEU 7 -4.467 -0.596 -9.378 53 HD21 LEU 7 3HD2 LEU 7 -5.714 -1.062 -12.137 54 HD22 LEU 7 1HD2 LEU 7 -4.365 -0.534 -13.142 55 HD23 LEU 7 2HD2 LEU 7 -4.850 0.425 -11.740 56 H SER 8 H SER 8 -1.178 -4.146 -10.262 57 HA SER 8 HA SER 8 -1.019 -4.912 -13.115 58 HG SER 8 HG SER 8 1.120 -6.517 -10.090 59 HB2 SER 8 2HB SER 8 0.258 -6.911 -12.419 60 HB3 SER 8 1HB SER 8 1.076 -5.428 -11.930 61 H LYS 9 H LYS 9 -2.018 -6.897 -13.748 62 HA LYS 9 HA LYS 9 -4.404 -7.500 -12.113 63 HB2 LYS 9 2HB LYS 9 -4.834 -6.471 -14.332 64 HB3 LYS 9 1HB LYS 9 -4.024 -7.829 -15.104 65 HG2 LYS 9 2HG LYS 9 -5.735 -9.349 -14.168 66 HG3 LYS 9 1HG LYS 9 -6.559 -7.953 -13.469 67 HD2 LYS 9 2HD LYS 9 -7.682 -8.492 -15.507 68 HD3 LYS 9 1HD LYS 9 -6.757 -7.019 -15.796 69 HE2 LYS 9 2HE LYS 9 -6.499 -8.477 -17.688 70 HE3 LYS 9 1HE LYS 9 -4.967 -8.408 -16.821 71 HZ1 LYS 9 3HZ LYS 9 -5.462 -10.531 -15.804 72 HZ2 LYS 9 1HZ LYS 9 -5.548 -10.665 -17.487 73 HZ3 LYS 9 2HZ LYS 9 -6.971 -10.591 -16.577 74 H SER 10 H SER 10 -4.725 -9.517 -11.387 75 HA SER 10 HA SER 10 -2.811 -11.606 -11.892 76 HG SER 10 HG SER 10 -4.034 -13.585 -9.533 77 HB2 SER 10 2HB SER 10 -3.802 -11.495 -9.694 78 HB3 SER 10 1HB SER 10 -5.430 -11.584 -10.367 79 H SER 11 H SER 11 -3.472 -13.809 -12.613 80 HA SER 11 HA SER 11 -4.774 -13.846 -15.110 81 HG SER 11 HG SER 11 -2.587 -16.218 -15.203 82 HB2 SER 11 2HB SER 11 -4.281 -16.174 -13.223 83 HB3 SER 11 1HB SER 11 -4.668 -16.307 -14.938 84 H ASN 12 H ASN 12 -6.005 -13.961 -11.909 85 HA ASN 12 HA ASN 12 -8.619 -15.013 -12.596 86 HB2 ASN 12 2HB ASN 12 -7.760 -13.564 -10.076 87 HB3 ASN 12 1HB ASN 12 -9.171 -14.601 -10.271 88 HD21 ASN 12 1HD2 ASN 12 -6.859 -14.746 -8.446 89 HD22 ASN 12 2HD2 ASN 12 -6.203 -16.326 -8.672 90 H ASP 13 H ASP 13 -7.293 -12.303 -13.575 91 HA ASP 13 HA ASP 13 -7.924 -10.235 -14.209 92 HB2 ASP 13 2HB ASP 13 -10.653 -11.480 -13.914 93 HB3 ASP 13 1HB ASP 13 -10.417 -9.844 -14.523 94 H GLN 14 H GLN 14 -7.803 -10.967 -11.211 95 HA GLN 14 HA GLN 14 -9.295 -8.748 -10.067 96 HB2 GLN 14 2HB GLN 14 -7.334 -10.668 -8.783 97 HB3 GLN 14 1HB GLN 14 -8.288 -9.465 -7.922 98 HG2 GLN 14 2HG GLN 14 -10.348 -10.588 -8.738 99 HG3 GLN 14 1HG GLN 14 -9.335 -11.843 -9.450 100 HE21 GLN 14 1HE2 GLN 14 -10.547 -10.471 -6.507 101 HE22 GLN 14 2HE2 GLN 14 -10.087 -11.771 -5.469 102 H PHE 15 H PHE 15 -8.443 -6.833 -9.383 103 HA PHE 15 HA PHE 15 -5.797 -6.181 -10.492 104 HD1 PHE 15 HD1 PHE 15 -6.278 -4.432 -12.911 105 HD2 PHE 15 HD2 PHE 15 -9.855 -5.509 -10.861 106 HE1 PHE 15 HE1 PHE 15 -7.375 -4.880 -15.067 107 HE2 PHE 15 HE2 PHE 15 -10.954 -5.959 -13.015 108 HZ PHE 15 HZ PHE 15 -9.716 -5.644 -15.121 109 HB2 PHE 15 2HB PHE 15 -8.068 -4.325 -9.718 110 HB3 PHE 15 1HB PHE 15 -6.591 -3.870 -10.563 111 H LYS 16 H LYS 16 -4.170 -5.362 -9.233 112 HA LYS 16 HA LYS 16 -4.737 -4.262 -6.611 113 HB2 LYS 16 2HB LYS 16 -3.235 -5.745 -5.373 114 HB3 LYS 16 1HB LYS 16 -4.567 -6.648 -6.071 115 HG2 LYS 16 2HG LYS 16 -1.799 -6.515 -7.264 116 HG3 LYS 16 1HG LYS 16 -2.362 -7.793 -6.190 117 HD2 LYS 16 2HD LYS 16 -4.166 -8.311 -7.831 118 HD3 LYS 16 1HD LYS 16 -3.474 -7.104 -8.918 119 HE2 LYS 16 2HE LYS 16 -2.147 -9.628 -7.931 120 HE3 LYS 16 1HE LYS 16 -2.727 -9.310 -9.565 121 HZ1 LYS 16 3HZ LYS 16 -0.363 -9.009 -9.472 122 HZ2 LYS 16 1HZ LYS 16 -0.496 -7.923 -8.182 123 HZ3 LYS 16 2HZ LYS 16 -1.086 -7.499 -9.709 124 H PHE 17 H PHE 17 -3.182 -2.846 -5.899 125 HA PHE 17 HA PHE 17 -0.972 -2.338 -7.787 126 HD1 PHE 17 HD2 PHE 17 -4.614 -0.906 -6.478 127 HD2 PHE 17 HD1 PHE 17 -1.062 0.720 -4.774 128 HE1 PHE 17 HE2 PHE 17 -5.906 -0.123 -4.536 129 HE2 PHE 17 HE1 PHE 17 -2.353 1.505 -2.832 130 HZ PHE 17 HZ PHE 17 -4.776 1.085 -2.712 131 HB2 PHE 17 2HB PHE 17 -1.111 0.036 -7.082 132 HB3 PHE 17 1HB PHE 17 -2.593 -0.539 -7.832 133 H VAL 18 H VAL 18 1.062 -1.831 -7.035 134 HA VAL 18 HA VAL 18 1.529 -2.100 -4.129 135 HB VAL 18 HB VAL 18 3.729 -3.102 -4.620 136 HG11 VAL 18 1HG1 VAL 18 1.857 -4.586 -4.178 137 HG12 VAL 18 2HG1 VAL 18 2.929 -5.305 -5.379 138 HG13 VAL 18 3HG1 VAL 18 1.407 -4.570 -5.883 139 HG21 VAL 18 3HG2 VAL 18 4.220 -3.926 -6.909 140 HG22 VAL 18 1HG2 VAL 18 4.177 -2.164 -6.812 141 HG23 VAL 18 2HG2 VAL 18 2.813 -3.042 -7.502 142 H LEU 19 H LEU 19 2.571 -0.463 -3.165 143 HA LEU 19 HA LEU 19 3.655 1.705 -4.813 144 HG LEU 19 HG LEU 19 4.853 3.166 -2.133 145 HB2 LEU 19 2HB LEU 19 2.092 2.343 -3.068 146 HB3 LEU 19 1HB LEU 19 3.058 1.528 -1.853 147 HD11 LEU 19 1HD1 LEU 19 4.602 3.684 -4.487 148 HD12 LEU 19 2HD1 LEU 19 4.529 5.162 -3.530 149 HD13 LEU 19 3HD1 LEU 19 3.047 4.459 -4.178 150 HD21 LEU 19 3HD2 LEU 19 3.091 3.624 -0.500 151 HD22 LEU 19 1HD2 LEU 19 2.157 4.470 -1.732 152 HD23 LEU 19 2HD2 LEU 19 3.709 5.117 -1.203 153 H LYS 20 H LYS 20 5.768 1.786 -5.238 154 HA LYS 20 HA LYS 20 7.633 0.505 -3.335 155 HB2 LYS 20 2HB LYS 20 7.820 0.748 -6.341 156 HB3 LYS 20 1HB LYS 20 9.163 0.228 -5.324 157 HG2 LYS 20 2HG LYS 20 7.722 -1.610 -4.463 158 HG3 LYS 20 1HG LYS 20 6.491 -1.135 -5.633 159 HD2 LYS 20 2HD LYS 20 9.304 -1.952 -6.373 160 HD3 LYS 20 1HD LYS 20 7.928 -3.056 -6.348 161 HE2 LYS 20 2HE LYS 20 6.791 -1.616 -8.007 162 HE3 LYS 20 1HE LYS 20 8.226 -0.595 -8.063 163 HZ1 LYS 20 3HZ LYS 20 9.495 -2.406 -8.928 164 HZ2 LYS 20 1HZ LYS 20 8.104 -2.242 -9.873 165 HZ3 LYS 20 2HZ LYS 20 8.210 -3.484 -8.734 166 H ALA 21 H ALA 21 9.203 1.672 -2.446 167 HA ALA 21 HA ALA 21 9.048 4.547 -2.852 168 HB1 ALA 21 3HB ALA 21 8.893 3.626 -0.601 169 HB2 ALA 21 1HB ALA 21 10.267 4.716 -0.763 170 HB3 ALA 21 2HB ALA 21 10.520 2.971 -0.750 171 H GLY 22 H GLY 22 10.196 4.630 -4.898 172 HA2 GLY 22 2HA GLY 22 12.025 5.489 -6.001 173 HA3 GLY 22 1HA GLY 22 12.842 5.578 -4.456 174 H ASN 23 H ASN 23 13.473 3.205 -3.655 175 HA ASN 23 HA ASN 23 15.467 2.326 -5.489 176 HB2 ASN 23 2HB ASN 23 14.605 0.911 -2.957 177 HB3 ASN 23 1HB ASN 23 16.187 0.872 -3.728 178 HD21 ASN 23 1HD2 ASN 23 15.361 1.620 -1.005 179 HD22 ASN 23 2HD2 ASN 23 15.982 3.210 -0.765 180 H GLY 24 H GLY 24 12.236 1.590 -5.459 181 HA2 GLY 24 2HA GLY 24 11.085 -0.072 -6.638 182 HA3 GLY 24 1HA GLY 24 12.595 -0.950 -6.836 183 H GLU 25 H GLU 25 12.116 0.042 -3.644 184 HA GLU 25 HA GLU 25 11.619 -2.655 -2.739 185 HB2 GLU 25 2HB GLU 25 13.205 -1.106 -1.573 186 HB3 GLU 25 1HB GLU 25 11.840 -0.090 -1.134 187 HG2 GLU 25 2HG GLU 25 12.535 -1.517 0.721 188 HG3 GLU 25 1HG GLU 25 10.888 -1.880 0.205 189 H VAL 26 H VAL 26 9.669 -3.498 -2.269 190 HA VAL 26 HA VAL 26 7.290 -1.921 -2.673 191 HB VAL 26 HB VAL 26 7.514 -4.800 -1.756 192 HG11 VAL 26 1HG1 VAL 26 5.214 -5.014 -2.587 193 HG12 VAL 26 2HG1 VAL 26 5.196 -3.296 -2.987 194 HG13 VAL 26 3HG1 VAL 26 5.322 -3.807 -1.305 195 HG21 VAL 26 3HG2 VAL 26 8.644 -4.478 -3.901 196 HG22 VAL 26 1HG2 VAL 26 7.211 -3.681 -4.553 197 HG23 VAL 26 2HG2 VAL 26 7.151 -5.390 -4.117 198 H ILE 27 H ILE 27 6.782 -0.510 -1.068 199 HA ILE 27 HA ILE 27 7.063 -1.298 1.724 200 HB ILE 27 HB ILE 27 6.289 1.040 2.224 201 HG12 ILE 27 2HG1 ILE 27 6.457 1.327 -0.794 202 HG13 ILE 27 1HG1 ILE 27 5.004 1.478 0.185 203 HG21 ILE 27 1HG2 ILE 27 8.665 0.419 2.110 204 HG22 ILE 27 2HG2 ILE 27 8.392 2.083 1.591 205 HG23 ILE 27 3HG2 ILE 27 8.683 0.821 0.391 206 HD11 ILE 27 3HD1 ILE 27 5.891 3.641 -0.528 207 HD12 ILE 27 1HD1 ILE 27 7.389 3.308 0.341 208 HD13 ILE 27 2HD1 ILE 27 5.875 3.480 1.225 209 H LEU 28 H LEU 28 4.435 -0.570 -0.559 210 HA LEU 28 HA LEU 28 2.582 -1.805 1.377 211 HG LEU 28 HG LEU 28 0.963 1.469 1.860 212 HB2 LEU 28 2HB LEU 28 2.172 0.720 -0.196 213 HB3 LEU 28 1HB LEU 28 0.795 -0.265 0.249 214 HD11 LEU 28 1HD1 LEU 28 0.395 -0.700 2.788 215 HD12 LEU 28 2HD1 LEU 28 1.304 0.266 3.949 216 HD13 LEU 28 3HD1 LEU 28 2.102 -1.042 3.075 217 HD21 LEU 28 3HD2 LEU 28 3.841 0.693 2.269 218 HD22 LEU 28 1HD2 LEU 28 2.954 1.922 3.168 219 HD23 LEU 28 2HD2 LEU 28 3.260 2.140 1.447 220 H THR 29 H THR 29 1.521 -3.501 0.617 221 HA THR 29 HA THR 29 0.848 -3.636 -2.261 222 HB THR 29 HB THR 29 1.341 -5.975 -0.387 223 HG1 THR 29 HG1 THR 29 2.996 -4.539 -2.014 224 HG21 THR 29 3HG2 THR 29 -0.385 -6.472 -2.065 225 HG22 THR 29 1HG2 THR 29 1.095 -7.377 -2.383 226 HG23 THR 29 2HG2 THR 29 0.708 -5.952 -3.347 227 H SER 30 H SER 30 -1.300 -3.420 -2.593 228 HA SER 30 HA SER 30 -3.137 -3.508 -0.367 229 HG SER 30 HG SER 30 -5.528 -1.902 -2.175 230 HB2 SER 30 2HB SER 30 -3.356 -1.828 -2.176 231 HB3 SER 30 1HB SER 30 -3.738 -3.123 -3.313 232 H GLU 31 H GLU 31 -5.473 -4.530 -1.198 233 HA GLU 31 HA GLU 31 -4.916 -7.404 -1.388 234 HB2 GLU 31 2HB GLU 31 -7.260 -7.714 -0.701 235 HB3 GLU 31 1HB GLU 31 -6.365 -6.720 0.439 236 HG2 GLU 31 2HG GLU 31 -7.435 -4.733 -0.316 237 HG3 GLU 31 1HG GLU 31 -8.140 -5.567 -1.701 238 H LEU 32 H LEU 32 -7.100 -8.493 -2.492 239 HA LEU 32 HA LEU 32 -6.706 -7.871 -5.298 240 HG LEU 32 HG LEU 32 -5.966 -10.353 -3.536 241 HB2 LEU 32 2HB LEU 32 -8.380 -10.009 -3.970 242 HB3 LEU 32 1HB LEU 32 -8.045 -9.904 -5.689 243 HD11 LEU 32 1HD1 LEU 32 -7.175 -12.272 -5.531 244 HD12 LEU 32 2HD1 LEU 32 -7.402 -12.295 -3.782 245 HD13 LEU 32 3HD1 LEU 32 -5.813 -12.625 -4.467 246 HD21 LEU 32 3HD2 LEU 32 -4.444 -10.808 -5.409 247 HD22 LEU 32 1HD2 LEU 32 -5.053 -9.152 -5.459 248 HD23 LEU 32 2HD2 LEU 32 -5.714 -10.369 -6.551 249 H TYR 33 H TYR 33 -7.846 -6.196 -6.116 250 HA TYR 33 HA TYR 33 -10.582 -5.670 -5.279 251 HD1 TYR 33 HD2 TYR 33 -6.941 -4.015 -5.829 252 HD2 TYR 33 HD1 TYR 33 -10.829 -2.667 -4.729 253 HE1 TYR 33 HE2 TYR 33 -5.959 -2.671 -4.028 254 HE2 TYR 33 HE1 TYR 33 -9.851 -1.316 -2.921 255 HH TYR 33 HH TYR 33 -7.681 -1.424 -1.509 256 HB2 TYR 33 2HB TYR 33 -8.835 -4.296 -7.337 257 HB3 TYR 33 1HB TYR 33 -10.446 -3.761 -6.875 258 H THR 34 H THR 34 -12.409 -5.961 -6.482 259 HA THR 34 HA THR 34 -12.286 -7.834 -8.689 260 HB THR 34 HB THR 34 -14.799 -7.642 -8.651 261 HG1 THR 34 HG1 THR 34 -14.944 -6.459 -6.205 262 HG21 THR 34 3HG2 THR 34 -13.657 -9.388 -7.366 263 HG22 THR 34 1HG2 THR 34 -15.072 -8.800 -6.491 264 HG23 THR 34 2HG2 THR 34 -13.458 -8.277 -6.009 265 H GLY 35 H GLY 35 -12.663 -4.398 -8.285 266 HA2 GLY 35 2HA GLY 35 -13.130 -4.126 -11.202 267 HA3 GLY 35 1HA GLY 35 -13.766 -2.998 -10.018 268 H LYS 36 H LYS 36 -11.740 -2.934 -12.387 269 HA LYS 36 HA LYS 36 -9.194 -2.271 -11.418 270 HB2 LYS 36 2HB LYS 36 -9.717 -2.739 -13.793 271 HB3 LYS 36 1HB LYS 36 -10.573 -1.206 -13.895 272 HG2 LYS 36 2HG LYS 36 -8.503 0.006 -13.473 273 HG3 LYS 36 1HG LYS 36 -7.630 -1.520 -13.304 274 HD2 LYS 36 2HD LYS 36 -8.257 -2.081 -15.645 275 HD3 LYS 36 1HD LYS 36 -9.001 -0.487 -15.793 276 HE2 LYS 36 2HE LYS 36 -6.095 -0.998 -15.147 277 HE3 LYS 36 1HE LYS 36 -6.716 -0.583 -16.743 278 HZ1 LYS 36 3HZ LYS 36 -7.468 1.531 -15.876 279 HZ2 LYS 36 1HZ LYS 36 -5.815 1.336 -15.581 280 HZ3 LYS 36 2HZ LYS 36 -6.929 1.129 -14.327 281 H SER 37 H SER 37 -11.855 -0.061 -12.326 282 HA SER 37 HA SER 37 -10.638 2.337 -11.561 283 HG SER 37 HG SER 37 -13.599 2.371 -13.595 284 HB2 SER 37 2HB SER 37 -13.586 1.627 -11.531 285 HB3 SER 37 1HB SER 37 -12.940 3.267 -11.433 286 H GLY 38 H GLY 38 -12.438 -0.006 -9.623 287 HA2 GLY 38 2HA GLY 38 -12.648 1.454 -7.229 288 HA3 GLY 38 1HA GLY 38 -12.610 -0.296 -7.352 289 H ALA 39 H ALA 39 -10.024 -0.616 -8.428 290 HA ALA 39 HA ALA 39 -8.390 -0.492 -6.131 291 HB1 ALA 39 3HB ALA 39 -8.052 -2.126 -7.932 292 HB2 ALA 39 1HB ALA 39 -6.576 -1.224 -7.586 293 HB3 ALA 39 2HB ALA 39 -7.537 -0.829 -9.011 294 H MET 40 H MET 40 -8.319 1.467 -9.116 295 HA MET 40 HA MET 40 -6.198 3.145 -8.275 296 HB2 MET 40 2HB MET 40 -8.366 3.778 -10.294 297 HB3 MET 40 1HB MET 40 -6.807 4.586 -10.143 298 HG2 MET 40 2HG MET 40 -5.667 2.500 -10.722 299 HG3 MET 40 1HG MET 40 -7.225 1.691 -10.878 300 HE1 MET 40 3HE MET 40 -5.771 5.072 -13.673 301 HE2 MET 40 1HE MET 40 -4.814 4.418 -12.344 302 HE3 MET 40 2HE MET 40 -6.263 5.365 -12.004 303 H ASN 41 H ASN 41 -9.731 3.486 -8.020 304 HA ASN 41 HA ASN 41 -9.872 5.987 -6.787 305 HB2 ASN 41 2HB ASN 41 -11.858 4.703 -7.505 306 HB3 ASN 41 1HB ASN 41 -11.570 3.535 -6.220 307 HD21 ASN 41 1HD2 ASN 41 -12.012 4.112 -4.090 308 HD22 ASN 41 2HD2 ASN 41 -12.964 5.496 -3.693 309 H GLY 42 H GLY 42 -9.255 2.784 -5.374 310 HA2 GLY 42 2HA GLY 42 -8.945 3.508 -2.694 311 HA3 GLY 42 1HA GLY 42 -8.100 2.184 -3.484 312 H ILE 43 H ILE 43 -6.643 3.731 -5.390 313 HA ILE 43 HA ILE 43 -4.381 4.496 -3.869 314 HB ILE 43 HB ILE 43 -5.026 5.237 -6.739 315 HG12 ILE 43 2HG1 ILE 43 -3.457 2.889 -5.622 316 HG13 ILE 43 1HG1 ILE 43 -5.065 2.795 -6.329 317 HG21 ILE 43 1HG2 ILE 43 -3.249 6.627 -5.798 318 HG22 ILE 43 2HG2 ILE 43 -2.600 5.515 -7.000 319 HG23 ILE 43 3HG2 ILE 43 -2.377 5.183 -5.282 320 HD11 ILE 43 3HD1 ILE 43 -4.132 3.543 -8.479 321 HD12 ILE 43 1HD1 ILE 43 -3.412 2.040 -7.904 322 HD13 ILE 43 2HD1 ILE 43 -2.526 3.554 -7.751 323 H GLU 44 H GLU 44 -6.939 6.431 -5.421 324 HA GLU 44 HA GLU 44 -6.073 9.002 -4.808 325 HB2 GLU 44 2HB GLU 44 -8.909 7.933 -4.689 326 HB3 GLU 44 1HB GLU 44 -8.472 9.633 -4.754 327 HG2 GLU 44 2HG GLU 44 -7.878 7.606 -6.906 328 HG3 GLU 44 1HG GLU 44 -9.220 8.748 -6.920 329 H SER 45 H SER 45 -8.015 6.783 -2.803 330 HA SER 45 HA SER 45 -8.172 8.417 -0.516 331 HG SER 45 HG SER 45 -9.111 7.315 1.291 332 HB2 SER 45 2HB SER 45 -9.557 6.370 -0.858 333 HB3 SER 45 1HB SER 45 -8.126 5.383 -0.549 334 H VAL 46 H VAL 46 -5.699 6.040 -1.485 335 HA VAL 46 HA VAL 46 -4.089 6.056 0.781 336 HB VAL 46 HB VAL 46 -3.177 6.007 -2.112 337 HG11 VAL 46 1HG1 VAL 46 -1.678 5.196 0.383 338 HG12 VAL 46 2HG1 VAL 46 -1.326 6.591 -0.636 339 HG13 VAL 46 3HG1 VAL 46 -1.122 4.961 -1.275 340 HG21 VAL 46 3HG2 VAL 46 -4.709 4.186 -1.599 341 HG22 VAL 46 1HG2 VAL 46 -3.747 3.744 -0.189 342 HG23 VAL 46 2HG2 VAL 46 -3.073 3.567 -1.809 343 H GLN 47 H GLN 47 -3.901 8.270 -2.018 344 HA GLN 47 HA GLN 47 -1.875 9.963 -1.177 345 HB2 GLN 47 2HB GLN 47 -4.382 10.947 -2.559 346 HB3 GLN 47 1HB GLN 47 -2.759 11.613 -2.677 347 HG2 GLN 47 2HG GLN 47 -3.662 8.945 -3.750 348 HG3 GLN 47 1HG GLN 47 -3.398 10.407 -4.695 349 HE21 GLN 47 1HE2 GLN 47 -1.298 11.062 -5.128 350 HE22 GLN 47 2HE2 GLN 47 0.054 10.013 -4.906 351 H THR 48 H THR 48 -5.354 10.191 -0.458 352 HA THR 48 HA THR 48 -5.189 12.541 1.152 353 HB THR 48 HB THR 48 -7.343 10.416 1.307 354 HG1 THR 48 HG1 THR 48 -6.668 12.082 -0.754 355 HG21 THR 48 3HG2 THR 48 -7.420 13.393 1.847 356 HG22 THR 48 1HG2 THR 48 -7.445 12.122 3.070 357 HG23 THR 48 2HG2 THR 48 -8.791 12.287 1.944 358 H ASN 49 H ASN 49 -4.928 9.121 1.899 359 HA ASN 49 HA ASN 49 -5.232 9.460 4.750 360 HB2 ASN 49 2HB ASN 49 -4.554 7.061 3.044 361 HB3 ASN 49 1HB ASN 49 -4.722 6.992 4.797 362 HD21 ASN 49 1HD2 ASN 49 -6.287 5.721 2.659 363 HD22 ASN 49 2HD2 ASN 49 -7.919 6.207 2.920 364 H SER 50 H SER 50 -2.543 9.307 2.549 365 HA SER 50 HA SER 50 -0.480 8.238 3.957 366 HG SER 50 HG SER 50 -1.085 8.672 1.226 367 HB2 SER 50 2HB SER 50 -0.384 10.676 2.174 368 HB3 SER 50 1HB SER 50 1.044 9.805 2.729 369 HA PRO 51 HA PRO 51 0.570 12.320 6.335 370 HB2 PRO 51 2HB PRO 51 -1.354 14.208 6.628 371 HB3 PRO 51 1HB PRO 51 -0.253 14.178 5.245 372 HG2 PRO 51 2HG PRO 51 -3.064 13.128 5.441 373 HG3 PRO 51 1HG PRO 51 -2.339 14.137 4.175 374 HD2 PRO 51 2HD PRO 51 -2.621 11.472 3.882 375 HD3 PRO 51 1HD PRO 51 -1.226 12.341 3.208 376 H ILE 52 H ILE 52 -1.908 10.183 6.757 377 HA ILE 52 HA ILE 52 -2.426 10.999 9.561 378 HB ILE 52 HB ILE 52 -4.293 9.368 7.824 379 HG12 ILE 52 2HG1 ILE 52 -4.548 12.308 8.521 380 HG13 ILE 52 1HG1 ILE 52 -3.989 11.709 6.962 381 HG21 ILE 52 1HG2 ILE 52 -4.717 10.752 10.478 382 HG22 ILE 52 2HG2 ILE 52 -4.548 9.014 10.227 383 HG23 ILE 52 3HG2 ILE 52 -5.943 9.869 9.568 384 HD11 ILE 52 3HD1 ILE 52 -6.704 11.249 8.181 385 HD12 ILE 52 1HD1 ILE 52 -6.150 10.597 6.637 386 HD13 ILE 52 2HD1 ILE 52 -6.312 12.338 6.852 387 H GLU 53 H GLU 53 -1.149 9.655 10.830 388 HA GLU 53 HA GLU 53 -0.441 7.006 10.092 389 HB2 GLU 53 2HB GLU 53 0.896 8.315 11.704 390 HB3 GLU 53 1HB GLU 53 -0.419 8.219 12.871 391 HG2 GLU 53 2HG GLU 53 -0.199 5.746 12.850 392 HG3 GLU 53 1HG GLU 53 1.184 5.908 11.773 393 H ALA 54 H ALA 54 -3.195 8.299 11.809 394 HA ALA 54 HA ALA 54 -4.215 5.995 13.009 395 HB1 ALA 54 3HB ALA 54 -6.384 7.094 12.947 396 HB2 ALA 54 1HB ALA 54 -5.790 8.233 11.738 397 HB3 ALA 54 2HB ALA 54 -5.119 8.249 13.369 398 H ARG 55 H ARG 55 -3.946 6.729 9.654 399 HA ARG 55 HA ARG 55 -5.860 4.685 8.836 400 HE ARG 55 HE ARG 55 -8.283 8.150 6.700 401 HB2 ARG 55 2HB ARG 55 -3.985 6.452 7.247 402 HB3 ARG 55 1HB ARG 55 -5.079 5.281 6.525 403 HG2 ARG 55 2HG ARG 55 -5.938 7.623 8.219 404 HG3 ARG 55 1HG ARG 55 -5.944 7.588 6.456 405 HD2 ARG 55 2HD ARG 55 -7.490 5.633 6.563 406 HD3 ARG 55 1HD ARG 55 -7.559 5.839 8.314 407 HH11 ARG 55 1HH1 ARG 55 -9.362 5.423 8.505 408 HH12 ARG 55 2HH1 ARG 55 -10.960 6.045 8.707 409 HH21 ARG 55 1HH2 ARG 55 -10.341 8.936 6.951 410 HH22 ARG 55 2HH2 ARG 55 -11.512 8.011 7.830 411 H TYR 56 H TYR 56 -2.454 5.024 9.407 412 HA TYR 56 HA TYR 56 -1.754 2.517 8.105 413 HD1 TYR 56 HD2 TYR 56 0.753 2.878 6.570 414 HD2 TYR 56 HD1 TYR 56 -0.492 6.423 8.570 415 HE1 TYR 56 HE2 TYR 56 1.287 4.191 4.565 416 HE2 TYR 56 HE1 TYR 56 0.039 7.744 6.571 417 HH TYR 56 HH TYR 56 0.659 6.350 3.547 418 HB2 TYR 56 2HB TYR 56 -0.102 4.401 9.810 419 HB3 TYR 56 1HB TYR 56 0.525 2.957 9.028 420 H ALA 57 H ALA 57 -2.922 0.943 9.268 421 HA ALA 57 HA ALA 57 -2.801 0.700 12.108 422 HB1 ALA 57 3HB ALA 57 -4.600 -0.315 10.774 423 HB2 ALA 57 1HB ALA 57 -3.778 -1.515 11.771 424 HB3 ALA 57 2HB ALA 57 -3.436 -1.419 10.043 425 H LYS 58 H LYS 58 -0.771 0.617 12.959 426 HA LYS 58 HA LYS 58 1.216 -1.149 11.719 427 HB2 LYS 58 2HB LYS 58 2.871 0.064 13.120 428 HB3 LYS 58 1HB LYS 58 1.972 1.117 12.040 429 HG2 LYS 58 2HG LYS 58 0.469 1.641 14.012 430 HG3 LYS 58 1HG LYS 58 1.660 0.816 15.018 431 HD2 LYS 58 2HD LYS 58 2.147 3.243 13.276 432 HD3 LYS 58 1HD LYS 58 2.040 3.225 15.035 433 HE2 LYS 58 2HE LYS 58 4.033 1.754 15.109 434 HE3 LYS 58 1HE LYS 58 4.152 1.870 13.352 435 HZ1 LYS 58 3HZ LYS 58 4.432 4.085 15.311 436 HZ2 LYS 58 1HZ LYS 58 4.383 4.309 13.635 437 HZ3 LYS 58 2HZ LYS 58 5.651 3.433 14.336 438 H GLU 59 H GLU 59 1.294 -3.144 12.449 439 HA GLU 59 HA GLU 59 0.781 -3.662 15.313 440 HB2 GLU 59 2HB GLU 59 0.139 -5.433 12.942 441 HB3 GLU 59 1HB GLU 59 -0.101 -5.873 14.627 442 HG2 GLU 59 2HG GLU 59 -1.506 -3.681 13.108 443 HG3 GLU 59 1HG GLU 59 -2.200 -5.204 13.666 444 H VAL 60 H VAL 60 1.725 -5.774 16.071 445 HA VAL 60 HA VAL 60 4.382 -6.243 14.853 446 HB VAL 60 HB VAL 60 3.679 -6.417 17.798 447 HG11 VAL 60 1HG1 VAL 60 6.336 -6.710 16.379 448 HG12 VAL 60 2HG1 VAL 60 5.423 -7.999 17.165 449 HG13 VAL 60 3HG1 VAL 60 6.105 -6.690 18.128 450 HG21 VAL 60 3HG2 VAL 60 3.705 -4.095 17.008 451 HG22 VAL 60 1HG2 VAL 60 5.317 -4.335 16.335 452 HG23 VAL 60 2HG2 VAL 60 5.067 -4.419 18.079 453 H ALA 61 H ALA 61 4.441 -8.204 13.938 454 HA ALA 61 HA ALA 61 2.647 -10.304 14.365 455 HB1 ALA 61 3HB ALA 61 4.054 -10.137 12.371 456 HB2 ALA 61 1HB ALA 61 4.247 -11.709 13.149 457 HB3 ALA 61 2HB ALA 61 5.488 -10.470 13.342 458 H LYS 62 H LYS 62 2.938 -12.372 15.400 459 HA LYS 62 HA LYS 62 3.846 -12.149 18.073 460 HB2 LYS 62 2HB LYS 62 3.036 -14.599 16.488 461 HB3 LYS 62 1HB LYS 62 3.287 -14.572 18.231 462 HG2 LYS 62 2HG LYS 62 1.491 -12.917 18.463 463 HG3 LYS 62 1HG LYS 62 1.228 -12.967 16.720 464 HD2 LYS 62 2HD LYS 62 0.582 -15.311 16.859 465 HD3 LYS 62 1HD LYS 62 0.938 -15.330 18.588 466 HE2 LYS 62 2HE LYS 62 -0.819 -13.638 18.950 467 HE3 LYS 62 1HE LYS 62 -1.184 -13.663 17.226 468 HZ1 LYS 62 3HZ LYS 62 -1.400 -16.021 19.014 469 HZ2 LYS 62 1HZ LYS 62 -1.888 -15.925 17.398 470 HZ3 LYS 62 2HZ LYS 62 -2.699 -15.029 18.577 471 H ASN 63 H ASN 63 5.593 -12.724 15.281 472 HA ASN 63 HA ASN 63 7.763 -14.166 16.612 473 HB2 ASN 63 2HB ASN 63 7.632 -13.122 13.768 474 HB3 ASN 63 1HB ASN 63 8.787 -14.284 14.418 475 HD21 ASN 63 1HD2 ASN 63 6.924 -14.561 12.187 476 HD22 ASN 63 2HD2 ASN 63 5.928 -15.918 12.570 477 H ASP 64 H ASP 64 6.865 -11.250 17.113 478 HA ASP 64 HA ASP 64 7.793 -9.254 17.657 479 HB2 ASP 64 2HB ASP 64 9.411 -10.696 18.870 480 HB3 ASP 64 1HB ASP 64 10.428 -10.740 17.435 481 H LYS 65 H LYS 65 7.230 -9.848 14.906 482 HA LYS 65 HA LYS 65 9.237 -8.189 13.518 483 HB2 LYS 65 2HB LYS 65 7.280 -10.185 12.360 484 HB3 LYS 65 1HB LYS 65 8.375 -9.181 11.416 485 HG2 LYS 65 2HG LYS 65 10.287 -10.252 12.607 486 HG3 LYS 65 1HG LYS 65 9.132 -11.337 13.384 487 HD2 LYS 65 2HD LYS 65 10.175 -12.394 11.446 488 HD3 LYS 65 1HD LYS 65 8.441 -12.179 11.192 489 HE2 LYS 65 2HE LYS 65 9.781 -11.606 9.197 490 HE3 LYS 65 1HE LYS 65 8.846 -10.240 9.799 491 HZ1 LYS 65 3HZ LYS 65 11.714 -10.700 10.407 492 HZ2 LYS 65 1HZ LYS 65 10.803 -9.327 10.795 493 HZ3 LYS 65 2HZ LYS 65 11.158 -9.687 9.179 494 HA PRO 66 HA PRO 66 5.808 -5.261 13.648 495 HB2 PRO 66 2HB PRO 66 7.234 -3.047 13.115 496 HB3 PRO 66 1HB PRO 66 7.335 -3.866 14.680 497 HG2 PRO 66 2HG PRO 66 9.210 -4.025 12.342 498 HG3 PRO 66 1HG PRO 66 9.587 -3.857 14.066 499 HD2 PRO 66 2HD PRO 66 9.677 -6.241 12.719 500 HD3 PRO 66 1HD PRO 66 9.354 -6.108 14.460 501 H TYR 67 H TYR 67 4.434 -4.547 12.128 502 HA TYR 67 HA TYR 67 5.352 -3.784 9.469 503 HD1 TYR 67 HD2 TYR 67 4.210 -7.192 11.442 504 HD2 TYR 67 HD1 TYR 67 1.383 -5.429 8.785 505 HE1 TYR 67 HE2 TYR 67 2.393 -8.371 12.600 506 HE2 TYR 67 HE1 TYR 67 -0.439 -6.611 9.936 507 HH TYR 67 HH TYR 67 -0.801 -8.524 11.334 508 HB2 TYR 67 2HB TYR 67 3.708 -5.228 8.328 509 HB3 TYR 67 1HB TYR 67 4.889 -6.181 9.217 510 H PHE 68 H PHE 68 3.286 -3.027 8.149 511 HA PHE 68 HA PHE 68 1.164 -2.022 9.862 512 HD1 PHE 68 HD2 PHE 68 4.934 -0.678 8.632 513 HD2 PHE 68 HD1 PHE 68 1.418 1.065 6.968 514 HE1 PHE 68 HE2 PHE 68 6.240 0.118 6.703 515 HE2 PHE 68 HE1 PHE 68 2.721 1.860 5.042 516 HZ PHE 68 HZ PHE 68 5.132 1.387 4.903 517 HB2 PHE 68 2HB PHE 68 1.422 0.311 9.225 518 HB3 PHE 68 1HB PHE 68 2.892 -0.264 9.998 519 H ASN 69 H ASN 69 -0.746 -1.780 8.857 520 HA ASN 69 HA ASN 69 -0.837 -2.140 5.930 521 HB2 ASN 69 2HB ASN 69 -2.902 -2.807 8.046 522 HB3 ASN 69 1HB ASN 69 -3.198 -2.908 6.312 523 HD21 ASN 69 1HD2 ASN 69 -3.581 -5.105 6.352 524 HD22 ASN 69 2HD2 ASN 69 -2.331 -6.263 6.624 525 H LEU 70 H LEU 70 -2.336 -0.870 4.730 526 HA LEU 70 HA LEU 70 -3.092 1.651 6.060 527 HG LEU 70 HG LEU 70 -3.964 3.107 3.413 528 HB2 LEU 70 2HB LEU 70 -1.354 1.861 4.305 529 HB3 LEU 70 1HB LEU 70 -2.465 1.169 3.138 530 HD11 LEU 70 1HD1 LEU 70 -1.810 4.201 5.220 531 HD12 LEU 70 2HD1 LEU 70 -3.420 3.686 5.723 532 HD13 LEU 70 3HD1 LEU 70 -3.234 5.074 4.652 533 HD21 LEU 70 3HD2 LEU 70 -2.539 4.764 2.301 534 HD22 LEU 70 1HD2 LEU 70 -2.293 3.145 1.648 535 HD23 LEU 70 2HD2 LEU 70 -1.108 3.837 2.758 536 H LYS 71 H LYS 71 -5.197 2.003 6.287 537 HA LYS 71 HA LYS 71 -7.096 0.592 4.511 538 HB2 LYS 71 2HB LYS 71 -7.354 1.316 7.437 539 HB3 LYS 71 1HB LYS 71 -8.700 0.752 6.454 540 HG2 LYS 71 2HG LYS 71 -7.440 -1.349 6.028 541 HG3 LYS 71 1HG LYS 71 -6.195 -0.781 7.143 542 HD2 LYS 71 2HD LYS 71 -7.799 -0.728 8.966 543 HD3 LYS 71 1HD LYS 71 -9.110 -1.158 7.866 544 HE2 LYS 71 2HE LYS 71 -7.994 -3.320 7.430 545 HE3 LYS 71 1HE LYS 71 -6.737 -2.887 8.589 546 HZ1 LYS 71 3HZ LYS 71 -9.627 -3.148 9.230 547 HZ2 LYS 71 1HZ LYS 71 -8.383 -2.822 10.330 548 HZ3 LYS 71 2HZ LYS 71 -8.451 -4.320 9.550 549 H ALA 72 H ALA 72 -8.760 1.714 3.603 550 HA ALA 72 HA ALA 72 -8.765 4.609 3.762 551 HB1 ALA 72 3HB ALA 72 -9.150 3.431 1.622 552 HB2 ALA 72 1HB ALA 72 -10.467 4.524 2.042 553 HB3 ALA 72 2HB ALA 72 -10.657 2.788 2.271 554 H ALA 73 H ALA 73 -11.179 5.570 3.810 555 HA ALA 73 HA ALA 73 -11.999 5.584 6.444 556 HB1 ALA 73 3HB ALA 73 -13.694 6.225 4.034 557 HB2 ALA 73 1HB ALA 73 -12.561 7.322 4.821 558 HB3 ALA 73 2HB ALA 73 -13.992 6.761 5.687 559 H ASN 74 H ASN 74 -13.314 3.572 3.817 560 HA ASN 74 HA ASN 74 -15.380 2.403 5.447 561 HB2 ASN 74 2HB ASN 74 -15.446 2.676 2.928 562 HB3 ASN 74 1HB ASN 74 -14.296 1.349 2.825 563 HD21 ASN 74 1HD2 ASN 74 -15.003 -0.754 3.272 564 HD22 ASN 74 2HD2 ASN 74 -16.679 -1.146 3.386 565 H HIS 75 H HIS 75 -12.243 2.095 5.873 566 HA HIS 75 HA HIS 75 -10.938 0.668 7.074 567 HD1 HIS 75 HD1 HIS 75 -15.168 0.047 8.631 568 HD2 HIS 75 HD2 HIS 75 -11.365 1.316 9.724 569 HE1 HIS 75 HE1 HIS 75 -15.517 1.677 10.500 570 HE2 HIS 75 HE2 HIS 75 -13.201 2.286 11.266 571 HB2 HIS 75 2HB HIS 75 -13.419 -1.059 7.293 572 HB3 HIS 75 1HB HIS 75 -11.932 -1.283 8.210 573 H GLN 76 H GLN 76 -11.747 0.302 4.104 574 HA GLN 76 HA GLN 76 -11.203 -2.448 3.500 575 HB2 GLN 76 2HB GLN 76 -11.295 -1.739 1.183 576 HB3 GLN 76 1HB GLN 76 -12.593 -0.955 2.074 577 HG2 GLN 76 2HG GLN 76 -10.916 1.010 2.306 578 HG3 GLN 76 1HG GLN 76 -10.079 0.232 0.965 579 HE21 GLN 76 1HE2 GLN 76 -12.856 2.014 1.956 580 HE22 GLN 76 2HE2 GLN 76 -13.486 2.309 0.377 581 H ILE 77 H ILE 77 -9.295 -3.394 2.838 582 HA ILE 77 HA ILE 77 -6.837 -2.133 3.547 583 HB ILE 77 HB ILE 77 -7.382 -4.723 2.084 584 HG12 ILE 77 2HG1 ILE 77 -8.109 -4.647 4.448 585 HG13 ILE 77 1HG1 ILE 77 -6.783 -5.780 4.209 586 HG21 ILE 77 1HG2 ILE 77 -4.742 -3.665 3.111 587 HG22 ILE 77 2HG2 ILE 77 -5.187 -3.904 1.421 588 HG23 ILE 77 3HG2 ILE 77 -5.022 -5.294 2.494 589 HD11 ILE 77 3HD1 ILE 77 -6.571 -3.007 5.364 590 HD12 ILE 77 1HD1 ILE 77 -5.218 -4.108 5.088 591 HD13 ILE 77 2HD1 ILE 77 -6.478 -4.531 6.247 592 H ILE 78 H ILE 78 -6.199 -0.423 2.366 593 HA ILE 78 HA ILE 78 -5.973 -0.747 -0.557 594 HB ILE 78 HB ILE 78 -5.472 1.691 -0.608 595 HG12 ILE 78 2HG1 ILE 78 -6.166 1.550 2.343 596 HG13 ILE 78 1HG1 ILE 78 -4.598 1.973 1.660 597 HG21 ILE 78 1HG2 ILE 78 -7.765 2.430 -0.236 598 HG22 ILE 78 2HG2 ILE 78 -8.095 0.980 0.713 599 HG23 ILE 78 3HG2 ILE 78 -7.736 0.846 -1.009 600 HD11 ILE 78 3HD1 ILE 78 -5.789 3.935 2.424 601 HD12 ILE 78 1HD1 ILE 78 -7.141 3.555 1.357 602 HD13 ILE 78 2HD1 ILE 78 -5.568 3.982 0.676 603 H GLY 79 H GLY 79 -4.186 -1.221 2.191 604 HA2 GLY 79 2HA GLY 79 -1.792 -1.602 0.621 605 HA3 GLY 79 1HA GLY 79 -1.646 -0.312 1.804 606 H THR 80 H THR 80 -0.290 -2.953 1.551 607 HA THR 80 HA THR 80 -0.426 -3.606 4.400 608 HB THR 80 HB THR 80 -0.586 -5.760 2.264 609 HG1 THR 80 HG1 THR 80 -2.506 -4.454 3.697 610 HG21 THR 80 3HG2 THR 80 -0.468 -6.017 5.276 611 HG22 THR 80 1HG2 THR 80 0.826 -6.438 4.154 612 HG23 THR 80 2HG2 THR 80 -0.686 -7.342 4.135 613 H SER 81 H SER 81 1.619 -3.548 5.160 614 HA SER 81 HA SER 81 3.817 -3.444 3.258 615 HG SER 81 HG SER 81 5.836 -1.841 5.415 616 HB2 SER 81 2HB SER 81 3.736 -1.764 5.017 617 HB3 SER 81 1HB SER 81 3.775 -3.018 6.256 618 H GLN 82 H GLN 82 5.966 -4.393 4.106 619 HA GLN 82 HA GLN 82 5.620 -7.279 4.443 620 HB2 GLN 82 2HB GLN 82 8.136 -5.654 3.941 621 HB3 GLN 82 1HB GLN 82 8.025 -7.408 3.917 622 HG2 GLN 82 2HG GLN 82 6.550 -7.297 1.974 623 HG3 GLN 82 1HG GLN 82 6.628 -5.536 2.009 624 HE21 GLN 82 1HE2 GLN 82 8.523 -4.509 1.336 625 HE22 GLN 82 2HE2 GLN 82 9.769 -5.331 0.470 626 H MET 83 H MET 83 5.955 -8.296 6.373 627 HA MET 83 HA MET 83 6.445 -6.951 8.768 628 HB2 MET 83 2HB MET 83 6.827 -9.865 8.069 629 HB3 MET 83 1HB MET 83 6.975 -9.238 9.705 630 HG2 MET 83 2HG MET 83 4.653 -8.433 9.587 631 HG3 MET 83 1HG MET 83 4.507 -9.131 7.977 632 HE1 MET 83 3HE MET 83 4.375 -11.685 7.467 633 HE2 MET 83 1HE MET 83 4.682 -12.950 8.658 634 HE3 MET 83 2HE MET 83 5.990 -11.880 8.150 635 H TYR 84 H TYR 84 8.194 -5.754 9.141 636 HA TYR 84 HA TYR 84 10.723 -6.225 7.901 637 HD1 TYR 84 HD2 TYR 84 11.369 -3.572 6.760 638 HD2 TYR 84 HD1 TYR 84 7.896 -3.478 9.226 639 HE1 TYR 84 HE2 TYR 84 10.236 -2.148 5.106 640 HE2 TYR 84 HE1 TYR 84 6.755 -2.060 7.576 641 HH TYR 84 HH TYR 84 7.920 -1.591 4.435 642 HB2 TYR 84 2HB TYR 84 9.992 -4.288 10.112 643 HB3 TYR 84 1HB TYR 84 11.465 -4.241 9.148 644 H SER 85 H SER 85 12.795 -6.282 9.110 645 HA SER 85 HA SER 85 12.749 -8.314 11.182 646 HG SER 85 HG SER 85 16.031 -6.432 10.254 647 HB2 SER 85 2HB SER 85 15.227 -8.230 10.980 648 HB3 SER 85 1HB SER 85 14.432 -8.476 9.424 649 H SER 86 H SER 86 13.002 -4.879 11.028 650 HA SER 86 HA SER 86 13.397 -4.765 13.938 651 HG SER 86 HG SER 86 16.064 -4.762 13.924 652 HB2 SER 86 2HB SER 86 14.957 -3.077 11.954 653 HB3 SER 86 1HB SER 86 14.986 -2.877 13.705 654 H THR 87 H THR 87 12.550 -2.859 14.945 655 HA THR 87 HA THR 87 10.146 -1.896 13.754 656 HB THR 87 HB THR 87 9.810 -0.552 15.703 657 HG1 THR 87 HG1 THR 87 12.101 -0.887 17.071 658 HG21 THR 87 3HG2 THR 87 9.597 -2.966 16.086 659 HG22 THR 87 1HG2 THR 87 10.179 -2.143 17.534 660 HG23 THR 87 2HG2 THR 87 11.305 -3.052 16.525 661 H ALA 88 H ALA 88 13.369 -0.507 14.166 662 HA ALA 88 HA ALA 88 12.926 2.123 13.431 663 HB1 ALA 88 3HB ALA 88 15.086 1.283 14.221 664 HB2 ALA 88 1HB ALA 88 15.262 2.183 12.712 665 HB3 ALA 88 2HB ALA 88 15.310 0.419 12.699 666 H ALA 89 H ALA 89 13.724 -0.589 11.230 667 HA ALA 89 HA ALA 89 13.440 0.771 8.806 668 HB1 ALA 89 3HB ALA 89 12.852 -2.131 9.397 669 HB2 ALA 89 1HB ALA 89 14.425 -1.452 8.973 670 HB3 ALA 89 2HB ALA 89 13.112 -1.438 7.794 671 H ARG 90 H ARG 90 11.002 -0.748 10.849 672 HA ARG 90 HA ARG 90 8.798 -0.634 9.118 673 HE ARG 90 HE ARG 90 7.574 1.735 12.726 674 HB2 ARG 90 2HB ARG 90 8.903 -1.895 11.252 675 HB3 ARG 90 1HB ARG 90 8.858 -0.385 12.139 676 HG2 ARG 90 2HG ARG 90 6.627 -1.184 10.287 677 HG3 ARG 90 1HG ARG 90 6.706 -1.763 11.949 678 HD2 ARG 90 2HD ARG 90 6.334 1.045 10.947 679 HD3 ARG 90 1HD ARG 90 5.315 0.123 12.050 680 HH11 ARG 90 1HH1 ARG 90 5.783 -1.035 13.743 681 HH12 ARG 90 2HH1 ARG 90 6.288 -0.880 15.387 682 HH21 ARG 90 1HH2 ARG 90 8.197 1.921 14.830 683 HH22 ARG 90 2HH2 ARG 90 7.627 0.776 15.998 684 H ASP 91 H ASP 91 9.957 1.758 11.502 685 HA ASP 91 HA ASP 91 7.947 3.690 10.873 686 HB2 ASP 91 2HB ASP 91 10.617 4.043 12.258 687 HB3 ASP 91 1HB ASP 91 9.326 5.243 12.212 688 H ASN 92 H ASN 92 11.298 3.199 9.790 689 HA ASN 92 HA ASN 92 11.569 5.493 8.196 690 HB2 ASN 92 2HB ASN 92 12.707 2.730 7.671 691 HB3 ASN 92 1HB ASN 92 13.253 4.222 6.913 692 HD21 ASN 92 1HD2 ASN 92 14.798 2.384 8.472 693 HD22 ASN 92 2HD2 ASN 92 15.404 3.265 9.827 694 H GLY 93 H GLY 93 10.173 2.318 7.453 695 HA2 GLY 93 2HA GLY 93 9.477 2.716 4.781 696 HA3 GLY 93 1HA GLY 93 8.603 1.685 5.907 697 H ILE 94 H ILE 94 7.456 3.318 7.678 698 HA ILE 94 HA ILE 94 5.214 4.374 6.421 699 HB ILE 94 HB ILE 94 6.359 5.207 9.101 700 HG12 ILE 94 2HG1 ILE 94 4.297 3.091 8.400 701 HG13 ILE 94 1HG1 ILE 94 5.949 2.778 8.919 702 HG21 ILE 94 1HG2 ILE 94 4.054 5.887 9.655 703 HG22 ILE 94 2HG2 ILE 94 3.561 5.534 8.000 704 HG23 ILE 94 3HG2 ILE 94 4.718 6.826 8.318 705 HD11 ILE 94 3HD1 ILE 94 4.396 2.435 10.736 706 HD12 ILE 94 1HD1 ILE 94 3.788 4.080 10.564 707 HD13 ILE 94 2HD1 ILE 94 5.449 3.804 11.089 708 H LYS 95 H LYS 95 8.093 6.148 7.573 709 HA LYS 95 HA LYS 95 7.368 8.726 6.758 710 HB2 LYS 95 2HB LYS 95 10.122 7.460 6.823 711 HB3 LYS 95 1HB LYS 95 9.810 9.188 6.701 712 HG2 LYS 95 2HG LYS 95 8.827 9.229 8.893 713 HG3 LYS 95 1HG LYS 95 8.905 7.470 9.009 714 HD2 LYS 95 2HD LYS 95 10.703 8.484 10.301 715 HD3 LYS 95 1HD LYS 95 11.361 7.578 8.939 716 HE2 LYS 95 2HE LYS 95 11.636 9.666 7.682 717 HE3 LYS 95 1HE LYS 95 10.966 10.575 9.037 718 HZ1 LYS 95 3HZ LYS 95 13.472 8.977 9.072 719 HZ2 LYS 95 1HZ LYS 95 12.824 9.804 10.398 720 HZ3 LYS 95 2HZ LYS 95 13.366 10.662 9.045 721 H SER 96 H SER 96 9.071 6.175 4.962 722 HA SER 96 HA SER 96 9.452 7.558 2.544 723 HG SER 96 HG SER 96 10.814 5.271 4.106 724 HB2 SER 96 2HB SER 96 9.019 4.583 2.961 725 HB3 SER 96 1HB SER 96 9.682 5.321 1.504 726 H VAL 97 H VAL 97 6.691 5.674 3.730 727 HA VAL 97 HA VAL 97 5.195 5.588 1.346 728 HB VAL 97 HB VAL 97 4.002 5.767 4.119 729 HG11 VAL 97 1HG1 VAL 97 2.176 4.447 3.142 730 HG12 VAL 97 2HG1 VAL 97 2.984 4.489 1.573 731 HG13 VAL 97 3HG1 VAL 97 2.389 5.983 2.301 732 HG21 VAL 97 3HG2 VAL 97 4.913 3.266 2.701 733 HG22 VAL 97 1HG2 VAL 97 4.149 3.365 4.285 734 HG23 VAL 97 2HG2 VAL 97 5.760 4.034 4.040 735 H MET 98 H MET 98 4.794 7.804 4.139 736 HA MET 98 HA MET 98 2.807 9.386 3.004 737 HB2 MET 98 2HB MET 98 3.329 11.073 4.678 738 HB3 MET 98 1HB MET 98 3.368 9.469 5.392 739 HG2 MET 98 2HG MET 98 5.795 9.478 5.343 740 HG3 MET 98 1HG MET 98 5.790 11.052 4.547 741 HE1 MET 98 3HE MET 98 4.970 9.069 7.831 742 HE2 MET 98 1HE MET 98 3.416 9.817 7.456 743 HE3 MET 98 2HE MET 98 4.326 10.340 8.873 744 H GLU 99 H GLU 99 6.331 9.686 2.701 745 HA GLU 99 HA GLU 99 6.261 12.144 1.258 746 HB2 GLU 99 2HB GLU 99 8.349 10.013 1.629 747 HB3 GLU 99 1HB GLU 99 8.615 11.339 0.506 748 HG2 GLU 99 2HG GLU 99 7.980 11.681 3.434 749 HG3 GLU 99 1HG GLU 99 9.601 11.714 2.744 750 H ASN 100 H ASN 100 5.935 8.797 0.260 751 HA ASN 100 HA ASN 100 6.102 9.463 -2.565 752 HB2 ASN 100 2HB ASN 100 5.424 6.894 -1.118 753 HB3 ASN 100 1HB ASN 100 5.475 7.044 -2.874 754 HD21 ASN 100 1HD2 ASN 100 7.106 5.495 -0.941 755 HD22 ASN 100 2HD2 ASN 100 8.736 5.923 -1.297 756 H GLY 101 H GLY 101 3.634 9.247 -0.154 757 HA2 GLY 101 2HA GLY 101 1.437 8.542 -1.801 758 HA3 GLY 101 1HA GLY 101 1.341 9.287 -0.220 759 H LYS 102 H LYS 102 3.150 11.131 -2.485 760 HA LYS 102 HA LYS 102 0.849 12.894 -2.976 761 HB2 LYS 102 2HB LYS 102 3.811 13.394 -3.411 762 HB3 LYS 102 1HB LYS 102 2.536 14.556 -3.725 763 HG2 LYS 102 2HG LYS 102 3.515 15.181 -1.684 764 HG3 LYS 102 1HG LYS 102 1.972 14.437 -1.270 765 HD2 LYS 102 2HD LYS 102 3.013 12.461 -0.503 766 HD3 LYS 102 1HD LYS 102 4.548 12.878 -1.269 767 HE2 LYS 102 2HE LYS 102 3.316 14.444 1.004 768 HE3 LYS 102 1HE LYS 102 4.506 13.163 1.220 769 HZ1 LYS 102 3HZ LYS 102 4.887 15.755 -0.166 770 HZ2 LYS 102 1HZ LYS 102 5.994 14.478 -0.271 771 HZ3 LYS 102 2HZ LYS 102 5.669 15.194 1.223 772 H THR 103 H THR 103 3.049 10.715 -4.571 773 HA THR 103 HA THR 103 2.921 11.892 -7.174 774 HB THR 103 HB THR 103 4.832 10.483 -6.552 775 HG1 THR 103 HG1 THR 103 4.889 9.305 -8.521 776 HG21 THR 103 3HG2 THR 103 3.639 8.805 -5.194 777 HG22 THR 103 1HG2 THR 103 4.621 8.046 -6.447 778 HG23 THR 103 2HG2 THR 103 2.875 8.174 -6.652 779 H THR 104 H THR 104 1.642 11.498 -8.875 780 HA THR 104 HA THR 104 -0.588 9.595 -8.569 781 HB THR 104 HB THR 104 -1.619 10.781 -10.485 782 HG1 THR 104 HG1 THR 104 -0.602 12.698 -11.246 783 HG21 THR 104 3HG2 THR 104 -2.136 12.879 -9.341 784 HG22 THR 104 1HG2 THR 104 -0.740 12.666 -8.284 785 HG23 THR 104 2HG2 THR 104 -2.099 11.547 -8.189 786 H THR 105 H THR 105 2.388 9.264 -9.507 787 HA THR 105 HA THR 105 2.261 8.409 -12.226 788 HB THR 105 HB THR 105 4.323 7.658 -10.130 789 HG1 THR 105 HG1 THR 105 3.826 10.032 -10.891 790 HG21 THR 105 3HG2 THR 105 4.476 7.641 -13.154 791 HG22 THR 105 1HG2 THR 105 4.425 6.220 -12.111 792 HG23 THR 105 2HG2 THR 105 5.814 7.303 -12.058 793 H ILE 106 H ILE 106 0.491 6.988 -12.339 794 HA ILE 106 HA ILE 106 0.667 4.444 -10.883 795 HB ILE 106 HB ILE 106 -1.570 5.392 -12.696 796 HG12 ILE 106 2HG1 ILE 106 -1.315 6.970 -10.829 797 HG13 ILE 106 1HG1 ILE 106 -2.788 6.027 -10.648 798 HG21 ILE 106 1HG2 ILE 106 -2.914 3.703 -11.527 799 HG22 ILE 106 2HG2 ILE 106 -1.497 3.220 -10.594 800 HG23 ILE 106 3HG2 ILE 106 -1.526 2.979 -12.341 801 HD11 ILE 106 3HD1 ILE 106 -1.630 6.349 -8.537 802 HD12 ILE 106 1HD1 ILE 106 -0.207 5.536 -9.188 803 HD13 ILE 106 2HD1 ILE 106 -1.715 4.645 -8.981 804 H LYS 107 H LYS 107 2.060 3.075 -11.923 805 HA LYS 107 HA LYS 107 2.193 2.836 -14.777 806 HB2 LYS 107 2HB LYS 107 3.277 1.078 -12.565 807 HB3 LYS 107 1HB LYS 107 3.562 0.778 -14.276 808 HG2 LYS 107 2HG LYS 107 4.656 2.991 -14.446 809 HG3 LYS 107 1HG LYS 107 4.444 3.197 -12.705 810 HD2 LYS 107 2HD LYS 107 5.825 1.240 -12.275 811 HD3 LYS 107 1HD LYS 107 5.984 0.944 -14.009 812 HE2 LYS 107 2HE LYS 107 6.978 3.397 -12.546 813 HE3 LYS 107 1HE LYS 107 7.979 2.038 -13.055 814 HZ1 LYS 107 3HZ LYS 107 8.141 3.847 -14.622 815 HZ2 LYS 107 1HZ LYS 107 6.464 3.859 -14.847 816 HZ3 LYS 107 2HZ LYS 107 7.374 2.530 -15.356 817 H ASP 108 H ASP 108 0.304 2.254 -15.714 818 HA ASP 108 HA ASP 108 -1.443 0.261 -14.632 819 HB2 ASP 108 2HB ASP 108 -2.076 2.262 -16.115 820 HB3 ASP 108 1HB ASP 108 -1.493 1.303 -17.470 821 H LEU 109 H LEU 109 -0.390 -1.697 -14.468 822 HA LEU 109 HA LEU 109 0.856 -2.850 -16.864 823 HG LEU 109 HG LEU 109 2.220 -1.819 -14.208 824 HB2 LEU 109 2HB LEU 109 0.817 -3.835 -14.006 825 HB3 LEU 109 1HB LEU 109 1.699 -4.585 -15.324 826 HD11 LEU 109 1HD1 LEU 109 2.905 -3.573 -12.666 827 HD12 LEU 109 2HD1 LEU 109 4.308 -2.771 -13.369 828 HD13 LEU 109 3HD1 LEU 109 3.820 -4.367 -13.948 829 HD21 LEU 109 3HD2 LEU 109 3.669 -3.376 -16.356 830 HD22 LEU 109 1HD2 LEU 109 4.218 -1.856 -15.648 831 HD23 LEU 109 2HD2 LEU 109 2.725 -1.902 -16.582 832 H THR 110 H THR 110 -2.193 -2.675 -15.860 833 HA THR 110 HA THR 110 -2.926 -5.490 -15.870 834 HB THR 110 HB THR 110 -5.179 -4.811 -15.481 835 HG1 THR 110 HG1 THR 110 -4.321 -2.220 -16.316 836 HG21 THR 110 3HG2 THR 110 -3.708 -4.545 -13.549 837 HG22 THR 110 1HG2 THR 110 -4.977 -3.318 -13.540 838 HG23 THR 110 2HG2 THR 110 -3.341 -2.891 -14.042 839 H LEU 111 H LEU 111 -2.659 -2.946 -18.175 840 HA LEU 111 HA LEU 111 -4.581 -3.838 -20.064 841 HG LEU 111 HG LEU 111 -3.714 -1.048 -18.901 842 HB2 LEU 111 2HB LEU 111 -2.133 -2.109 -20.439 843 HB3 LEU 111 1HB LEU 111 -3.406 -2.317 -21.629 844 HD11 LEU 111 1HD1 LEU 111 -3.779 0.162 -21.664 845 HD12 LEU 111 2HD1 LEU 111 -2.503 0.362 -20.465 846 HD13 LEU 111 3HD1 LEU 111 -4.110 1.013 -20.155 847 HD21 LEU 111 3HD2 LEU 111 -5.993 -0.487 -19.646 848 HD22 LEU 111 1HD2 LEU 111 -5.746 -2.228 -19.510 849 HD23 LEU 111 2HD2 LEU 111 -5.746 -1.459 -21.099 850 H GLU 112 H GLU 112 -1.640 -5.230 -19.195 851 HA GLU 112 HA GLU 112 -1.775 -7.070 -21.422 852 HB2 GLU 112 2HB GLU 112 0.499 -6.765 -22.200 853 HB3 GLU 112 1HB GLU 112 -0.368 -5.241 -22.333 854 HG2 GLU 112 2HG GLU 112 0.727 -4.367 -20.388 855 HG3 GLU 112 1HG GLU 112 1.465 -5.930 -20.040 856 H HIS 113 H HIS 113 -0.301 -8.917 -21.170 857 HA HIS 113 HA HIS 113 0.249 -9.525 -18.370 858 HD1 HIS 113 HD1 HIS 113 -0.479 -12.106 -17.297 859 HD2 HIS 113 HD2 HIS 113 2.470 -13.032 -20.076 860 HE1 HIS 113 HE1 HIS 113 0.840 -13.980 -16.281 861 HE2 HIS 113 HE2 HIS 113 2.477 -14.650 -18.062 862 HB2 HIS 113 2HB HIS 113 -0.868 -11.207 -19.805 863 HB3 HIS 113 1HB HIS 113 0.550 -11.252 -20.846 864 H HIS 114 H HIS 114 2.000 -8.085 -18.007 865 HA HIS 114 HA HIS 114 4.304 -7.964 -19.653 866 HD1 HIS 114 HD1 HIS 114 5.991 -6.958 -15.539 867 HD2 HIS 114 HD2 HIS 114 1.892 -7.429 -16.032 868 HE1 HIS 114 HE1 HIS 114 5.072 -7.298 -13.234 869 HE2 HIS 114 HE2 HIS 114 2.630 -7.772 -13.577 870 HB2 HIS 114 2HB HIS 114 5.311 -6.628 -17.894 871 HB3 HIS 114 1HB HIS 114 3.634 -6.144 -18.117 872 H HIS 115 H HIS 115 6.338 -8.885 -19.479 873 HA HIS 115 HA HIS 115 6.403 -11.522 -18.309 874 HD1 HIS 115 HD1 HIS 115 8.895 -10.769 -22.267 875 HD2 HIS 115 HD2 HIS 115 5.208 -11.614 -20.545 876 HE1 HIS 115 HE1 HIS 115 7.353 -11.250 -24.181 877 HE2 HIS 115 HE2 HIS 115 5.097 -11.569 -23.132 878 HB2 HIS 115 2HB HIS 115 8.609 -10.011 -19.731 879 HB3 HIS 115 1HB HIS 115 8.576 -11.740 -19.403 880 H HIS 116 H HIS 116 7.201 -12.083 -16.369 881 HA HIS 116 HA HIS 116 9.340 -10.625 -15.082 882 HD1 HIS 116 HD1 HIS 116 9.010 -8.001 -13.015 883 HD2 HIS 116 HD2 HIS 116 7.629 -11.549 -11.352 884 HE1 HIS 116 HE1 HIS 116 9.783 -7.967 -10.632 885 HE2 HIS 116 HE2 HIS 116 9.105 -10.201 -9.706 886 HB2 HIS 116 2HB HIS 116 7.393 -9.220 -14.517 887 HB3 HIS 116 1HB HIS 116 6.562 -10.622 -13.859 888 H HIS 117 H HIS 117 10.582 -12.162 -14.145 889 HA HIS 117 HA HIS 117 9.234 -14.370 -12.736 890 HD1 HIS 117 HD1 HIS 117 11.319 -14.083 -16.673 891 HD2 HIS 117 HD2 HIS 117 13.611 -15.174 -13.380 892 HE1 HIS 117 HE1 HIS 117 13.707 -13.707 -17.357 893 HE2 HIS 117 HE2 HIS 117 15.071 -14.605 -15.441 894 HB2 HIS 117 2HB HIS 117 10.866 -15.996 -13.563 895 HB3 HIS 117 1HB HIS 117 9.975 -15.267 -14.892 896 H HIS 118 H HIS 118 10.783 -11.790 -12.037 897 HA HIS 118 HA HIS 118 12.506 -13.068 -9.999 898 HD1 HIS 118 HD1 HIS 118 13.853 -10.139 -13.210 899 HD2 HIS 118 HD2 HIS 118 15.031 -13.409 -10.927 900 HE1 HIS 118 HE1 HIS 118 15.589 -11.326 -14.581 901 HE2 HIS 118 HE2 HIS 118 16.421 -13.182 -13.101 902 HB2 HIS 118 2HB HIS 118 12.640 -10.235 -11.074 903 HB3 HIS 118 1HB HIS 118 13.658 -10.883 -9.792 Start of MODEL 19 1 HA MET 1 HA MET 1 14.166 9.177 -7.718 2 H1 MET 1 1H MET 1 15.419 9.844 -5.785 3 H2 MET 1 2H MET 1 16.417 9.056 -6.895 4 H3 MET 1 3H MET 1 15.900 8.248 -5.502 5 HB2 MET 1 2HB MET 1 15.056 6.391 -6.923 6 HB3 MET 1 1HB MET 1 13.828 6.739 -8.134 7 HG2 MET 1 2HG MET 1 16.732 7.541 -8.269 8 HG3 MET 1 1HG MET 1 15.964 6.233 -9.170 9 HE1 MET 1 3HE MET 1 17.694 8.578 -10.530 10 HE2 MET 1 1HE MET 1 16.695 8.916 -11.944 11 HE3 MET 1 2HE MET 1 16.954 7.251 -11.426 12 H SER 2 H SER 2 12.118 9.504 -7.136 13 HA SER 2 HA SER 2 11.143 8.709 -4.524 14 HG SER 2 HG SER 2 8.770 10.255 -7.277 15 HB2 SER 2 2HB SER 2 9.059 9.903 -5.234 16 HB3 SER 2 1HB SER 2 10.509 10.900 -5.352 17 H GLY 3 H GLY 3 8.919 7.680 -4.356 18 HA2 GLY 3 2HA GLY 3 9.018 5.186 -5.832 19 HA3 GLY 3 1HA GLY 3 7.974 5.557 -4.473 20 H TRP 4 H TRP 4 6.654 4.215 -6.141 21 HA TRP 4 HA TRP 4 4.728 5.972 -7.329 22 HD1 TRP 4 HD1 TRP 4 5.005 2.519 -10.067 23 HE1 TRP 4 HE1 TRP 4 6.966 0.913 -10.504 24 HE3 TRP 4 HE3 TRP 4 8.869 5.503 -8.534 25 HZ2 TRP 4 HZ2 TRP 4 9.772 0.908 -10.248 26 HZ3 TRP 4 HZ3 TRP 4 11.161 4.618 -8.666 27 HH2 TRP 4 HH2 TRP 4 11.604 2.369 -9.504 28 HB2 TRP 4 2HB TRP 4 4.925 5.175 -9.638 29 HB3 TRP 4 1HB TRP 4 6.415 5.956 -9.125 30 H TYR 5 H TYR 5 3.015 4.632 -8.551 31 HA TYR 5 HA TYR 5 2.510 2.145 -7.039 32 HD1 TYR 5 HD2 TYR 5 0.166 2.509 -5.158 33 HD2 TYR 5 HD1 TYR 5 1.131 6.020 -7.373 34 HE1 TYR 5 HE2 TYR 5 -0.110 3.864 -3.125 35 HE2 TYR 5 HE1 TYR 5 0.858 7.379 -5.344 36 HH TYR 5 HH TYR 5 0.723 6.082 -2.266 37 HB2 TYR 5 2HB TYR 5 0.561 3.949 -8.510 38 HB3 TYR 5 1HB TYR 5 0.127 2.503 -7.604 39 H GLU 6 H GLU 6 2.402 0.221 -8.097 40 HA GLU 6 HA GLU 6 2.119 0.253 -11.042 41 HB2 GLU 6 2HB GLU 6 3.686 -1.573 -9.234 42 HB3 GLU 6 1HB GLU 6 3.189 -2.106 -10.834 43 HG2 GLU 6 2HG GLU 6 4.385 -0.217 -11.836 44 HG3 GLU 6 1HG GLU 6 4.889 0.311 -10.231 45 H LEU 7 H LEU 7 0.069 -0.163 -11.539 46 HA LEU 7 HA LEU 7 -1.491 -2.117 -9.997 47 HG LEU 7 HG LEU 7 -3.802 -2.233 -12.035 48 HB2 LEU 7 2HB LEU 7 -2.542 0.038 -10.484 49 HB3 LEU 7 1HB LEU 7 -2.290 -0.207 -12.203 50 HD11 LEU 7 1HD1 LEU 7 -3.685 -2.641 -9.661 51 HD12 LEU 7 2HD1 LEU 7 -5.353 -2.299 -10.122 52 HD13 LEU 7 3HD1 LEU 7 -4.388 -1.059 -9.320 53 HD21 LEU 7 3HD2 LEU 7 -4.999 0.461 -11.370 54 HD22 LEU 7 1HD2 LEU 7 -5.859 -0.911 -12.073 55 HD23 LEU 7 2HD2 LEU 7 -4.570 -0.123 -12.980 56 H SER 8 H SER 8 -1.654 -4.187 -10.689 57 HA SER 8 HA SER 8 -1.586 -4.722 -13.592 58 HG SER 8 HG SER 8 0.679 -4.269 -12.805 59 HB2 SER 8 2HB SER 8 -0.167 -6.377 -11.475 60 HB3 SER 8 1HB SER 8 -0.275 -6.786 -13.186 61 H LYS 9 H LYS 9 -2.915 -6.408 -14.313 62 HA LYS 9 HA LYS 9 -4.875 -7.366 -12.339 63 HB2 LYS 9 2HB LYS 9 -5.748 -6.174 -14.343 64 HB3 LYS 9 1HB LYS 9 -5.058 -7.432 -15.365 65 HG2 LYS 9 2HG LYS 9 -6.497 -9.098 -14.299 66 HG3 LYS 9 1HG LYS 9 -7.167 -7.853 -13.247 67 HD2 LYS 9 2HD LYS 9 -8.725 -8.255 -15.025 68 HD3 LYS 9 1HD LYS 9 -8.001 -6.668 -15.276 69 HE2 LYS 9 2HE LYS 9 -6.552 -7.548 -16.990 70 HE3 LYS 9 1HE LYS 9 -7.096 -9.193 -16.662 71 HZ1 LYS 9 3HZ LYS 9 -9.312 -8.572 -17.390 72 HZ2 LYS 9 1HZ LYS 9 -8.179 -8.266 -18.610 73 HZ3 LYS 9 2HZ LYS 9 -8.799 -6.987 -17.695 74 H SER 10 H SER 10 -4.720 -9.384 -11.609 75 HA SER 10 HA SER 10 -2.877 -11.287 -12.727 76 HG SER 10 HG SER 10 -4.182 -13.554 -10.154 77 HB2 SER 10 2HB SER 10 -3.242 -11.275 -10.325 78 HB3 SER 10 1HB SER 10 -4.965 -11.573 -10.545 79 H SER 11 H SER 11 -3.604 -13.599 -13.190 80 HA SER 11 HA SER 11 -5.418 -13.655 -15.353 81 HG SER 11 HG SER 11 -2.612 -15.752 -14.978 82 HB2 SER 11 2HB SER 11 -4.281 -15.944 -13.719 83 HB3 SER 11 1HB SER 11 -5.176 -16.143 -15.228 84 H ASN 12 H ASN 12 -6.064 -13.596 -12.055 85 HA ASN 12 HA ASN 12 -8.598 -14.948 -12.075 86 HB2 ASN 12 2HB ASN 12 -7.605 -12.794 -10.188 87 HB3 ASN 12 1HB ASN 12 -8.931 -13.916 -9.893 88 HD21 ASN 12 1HD2 ASN 12 -8.468 -16.027 -9.325 89 HD22 ASN 12 2HD2 ASN 12 -6.877 -16.539 -8.886 90 H ASP 13 H ASP 13 -7.642 -12.284 -13.711 91 HA ASP 13 HA ASP 13 -8.587 -10.467 -14.653 92 HB2 ASP 13 2HB ASP 13 -10.345 -12.180 -15.237 93 HB3 ASP 13 1HB ASP 13 -11.260 -11.630 -13.837 94 H GLN 14 H GLN 14 -7.974 -10.634 -11.740 95 HA GLN 14 HA GLN 14 -9.611 -8.392 -10.746 96 HB2 GLN 14 2HB GLN 14 -7.934 -10.388 -9.202 97 HB3 GLN 14 1HB GLN 14 -8.836 -9.057 -8.487 98 HG2 GLN 14 2HG GLN 14 -10.928 -10.044 -9.285 99 HG3 GLN 14 1HG GLN 14 -10.025 -11.377 -10.003 100 HE21 GLN 14 1HE2 GLN 14 -11.123 -9.937 -7.041 101 HE22 GLN 14 2HE2 GLN 14 -10.806 -11.299 -6.035 102 H PHE 15 H PHE 15 -8.613 -6.532 -9.980 103 HA PHE 15 HA PHE 15 -5.898 -6.104 -11.012 104 HD1 PHE 15 HD2 PHE 15 -9.648 -5.464 -11.468 105 HD2 PHE 15 HD1 PHE 15 -6.241 -3.517 -13.129 106 HE1 PHE 15 HE2 PHE 15 -10.704 -5.518 -13.690 107 HE2 PHE 15 HE1 PHE 15 -7.294 -3.571 -15.352 108 HZ PHE 15 HZ PHE 15 -9.527 -4.569 -15.635 109 HB2 PHE 15 2HB PHE 15 -7.980 -4.113 -10.069 110 HB3 PHE 15 1HB PHE 15 -6.435 -3.702 -10.804 111 H LYS 16 H LYS 16 -4.164 -5.618 -9.742 112 HA LYS 16 HA LYS 16 -4.575 -4.890 -6.924 113 HB2 LYS 16 2HB LYS 16 -2.817 -6.471 -6.209 114 HB3 LYS 16 1HB LYS 16 -4.198 -7.303 -6.913 115 HG2 LYS 16 2HG LYS 16 -2.990 -7.633 -8.988 116 HG3 LYS 16 1HG LYS 16 -1.624 -6.703 -8.370 117 HD2 LYS 16 2HD LYS 16 -1.265 -8.375 -6.619 118 HD3 LYS 16 1HD LYS 16 -2.649 -9.298 -7.207 119 HE2 LYS 16 2HE LYS 16 -0.603 -10.294 -8.028 120 HE3 LYS 16 1HE LYS 16 -1.498 -9.593 -9.374 121 HZ1 LYS 16 3HZ LYS 16 0.833 -9.075 -9.554 122 HZ2 LYS 16 1HZ LYS 16 0.849 -8.383 -8.012 123 HZ3 LYS 16 2HZ LYS 16 -0.029 -7.650 -9.252 124 H PHE 17 H PHE 17 -3.103 -3.398 -6.149 125 HA PHE 17 HA PHE 17 -0.933 -2.623 -7.999 126 HD1 PHE 17 HD2 PHE 17 -4.641 -1.392 -6.544 127 HD2 PHE 17 HD1 PHE 17 -1.089 0.340 -4.943 128 HE1 PHE 17 HE2 PHE 17 -5.886 -0.685 -4.545 129 HE2 PHE 17 HE1 PHE 17 -2.335 1.050 -2.943 130 HZ PHE 17 HZ PHE 17 -4.737 0.537 -2.742 131 HB2 PHE 17 2HB PHE 17 -1.202 -0.301 -7.256 132 HB3 PHE 17 1HB PHE 17 -2.685 -0.923 -7.963 133 H VAL 18 H VAL 18 1.041 -1.948 -7.155 134 HA VAL 18 HA VAL 18 1.470 -2.388 -4.262 135 HB VAL 18 HB VAL 18 3.738 -3.254 -4.778 136 HG11 VAL 18 1HG1 VAL 18 1.936 -4.830 -4.358 137 HG12 VAL 18 2HG1 VAL 18 3.039 -5.476 -5.573 138 HG13 VAL 18 3HG1 VAL 18 1.482 -4.803 -6.061 139 HG21 VAL 18 3HG2 VAL 18 4.286 -3.966 -7.071 140 HG22 VAL 18 1HG2 VAL 18 4.071 -2.219 -6.967 141 HG23 VAL 18 2HG2 VAL 18 2.795 -3.225 -7.654 142 H LEU 19 H LEU 19 2.767 -0.933 -3.213 143 HA LEU 19 HA LEU 19 3.652 1.417 -4.752 144 HG LEU 19 HG LEU 19 4.774 2.854 -2.072 145 HB2 LEU 19 2HB LEU 19 2.048 1.884 -2.973 146 HB3 LEU 19 1HB LEU 19 3.086 1.096 -1.800 147 HD11 LEU 19 1HD1 LEU 19 2.825 4.082 -4.026 148 HD12 LEU 19 2HD1 LEU 19 4.420 3.426 -4.402 149 HD13 LEU 19 3HD1 LEU 19 4.275 4.866 -3.397 150 HD21 LEU 19 3HD2 LEU 19 3.038 3.152 -0.381 151 HD22 LEU 19 1HD2 LEU 19 2.010 3.961 -1.565 152 HD23 LEU 19 2HD2 LEU 19 3.530 4.701 -1.063 153 H LYS 20 H LYS 20 5.748 1.603 -5.150 154 HA LYS 20 HA LYS 20 7.665 0.081 -3.506 155 HB2 LYS 20 2HB LYS 20 7.928 1.134 -6.336 156 HB3 LYS 20 1HB LYS 20 9.149 0.195 -5.479 157 HG2 LYS 20 2HG LYS 20 7.622 -1.701 -5.338 158 HG3 LYS 20 1HG LYS 20 6.362 -0.763 -6.136 159 HD2 LYS 20 2HD LYS 20 7.728 -0.632 -8.163 160 HD3 LYS 20 1HD LYS 20 9.019 -1.534 -7.362 161 HE2 LYS 20 2HE LYS 20 7.527 -3.462 -7.116 162 HE3 LYS 20 1HE LYS 20 6.223 -2.562 -7.888 163 HZ1 LYS 20 3HZ LYS 20 7.517 -2.472 -9.913 164 HZ2 LYS 20 1HZ LYS 20 7.319 -4.076 -9.422 165 HZ3 LYS 20 2HZ LYS 20 8.795 -3.295 -9.176 166 H ALA 21 H ALA 21 9.583 1.017 -2.769 167 HA ALA 21 HA ALA 21 9.322 3.620 -1.752 168 HB1 ALA 21 3HB ALA 21 11.819 1.933 -1.925 169 HB2 ALA 21 1HB ALA 21 10.602 1.854 -0.651 170 HB3 ALA 21 2HB ALA 21 11.565 3.316 -0.858 171 H GLY 22 H GLY 22 11.183 2.442 -4.528 172 HA2 GLY 22 2HA GLY 22 11.136 4.602 -6.135 173 HA3 GLY 22 1HA GLY 22 12.391 5.048 -4.989 174 H ASN 23 H ASN 23 13.671 2.610 -4.613 175 HA ASN 23 HA ASN 23 15.167 2.349 -7.073 176 HB2 ASN 23 2HB ASN 23 16.598 0.826 -5.790 177 HB3 ASN 23 1HB ASN 23 16.284 2.296 -4.873 178 HD21 ASN 23 1HD2 ASN 23 17.067 -0.347 -3.941 179 HD22 ASN 23 2HD2 ASN 23 15.848 -0.837 -2.820 180 H GLY 24 H GLY 24 12.357 0.929 -5.969 181 HA2 GLY 24 2HA GLY 24 11.304 -0.671 -7.566 182 HA3 GLY 24 1HA GLY 24 12.814 -1.567 -7.501 183 H GLU 25 H GLU 25 12.990 -0.982 -4.545 184 HA GLU 25 HA GLU 25 11.877 -3.366 -3.567 185 HB2 GLU 25 2HB GLU 25 13.778 -2.276 -2.507 186 HB3 GLU 25 1HB GLU 25 12.787 -0.884 -2.093 187 HG2 GLU 25 2HG GLU 25 11.469 -2.251 -0.567 188 HG3 GLU 25 1HG GLU 25 12.407 -3.678 -1.015 189 H VAL 26 H VAL 26 9.936 -3.887 -2.702 190 HA VAL 26 HA VAL 26 7.799 -1.914 -2.852 191 HB VAL 26 HB VAL 26 7.630 -4.857 -2.156 192 HG11 VAL 26 1HG1 VAL 26 5.247 -4.627 -2.711 193 HG12 VAL 26 2HG1 VAL 26 5.474 -2.896 -2.966 194 HG13 VAL 26 3HG1 VAL 26 5.701 -3.588 -1.358 195 HG21 VAL 26 3HG2 VAL 26 8.540 -4.564 -4.394 196 HG22 VAL 26 1HG2 VAL 26 7.226 -3.462 -4.808 197 HG23 VAL 26 2HG2 VAL 26 6.883 -5.163 -4.488 198 H ILE 27 H ILE 27 6.937 -0.872 -1.162 199 HA ILE 27 HA ILE 27 7.687 -1.701 1.568 200 HB ILE 27 HB ILE 27 6.893 0.616 2.220 201 HG12 ILE 27 2HG1 ILE 27 6.891 0.996 -0.792 202 HG13 ILE 27 1HG1 ILE 27 5.495 1.108 0.273 203 HG21 ILE 27 1HG2 ILE 27 9.264 0.057 1.993 204 HG22 ILE 27 2HG2 ILE 27 8.948 1.718 1.492 205 HG23 ILE 27 3HG2 ILE 27 9.203 0.463 0.277 206 HD11 ILE 27 3HD1 ILE 27 6.513 3.061 1.362 207 HD12 ILE 27 1HD1 ILE 27 6.242 3.304 -0.364 208 HD13 ILE 27 2HD1 ILE 27 7.866 2.960 0.232 209 H LEU 28 H LEU 28 4.871 -0.686 -0.353 210 HA LEU 28 HA LEU 28 3.113 -1.982 1.637 211 HG LEU 28 HG LEU 28 1.771 1.400 2.352 212 HB2 LEU 28 2HB LEU 28 2.837 0.669 0.269 213 HB3 LEU 28 1HB LEU 28 1.383 -0.239 0.623 214 HD11 LEU 28 1HD1 LEU 28 0.763 -0.705 3.036 215 HD12 LEU 28 2HD1 LEU 28 1.751 -0.028 4.328 216 HD13 LEU 28 3HD1 LEU 28 2.359 -1.379 3.371 217 HD21 LEU 28 3HD2 LEU 28 4.429 0.058 2.853 218 HD22 LEU 28 1HD2 LEU 28 3.732 1.387 3.779 219 HD23 LEU 28 2HD2 LEU 28 4.200 1.635 2.098 220 H THR 29 H THR 29 1.897 -3.580 0.842 221 HA THR 29 HA THR 29 1.530 -3.781 -2.088 222 HB THR 29 HB THR 29 1.746 -6.056 -0.089 223 HG1 THR 29 HG1 THR 29 3.779 -6.374 -0.953 224 HG21 THR 29 3HG2 THR 29 1.803 -7.516 -2.053 225 HG22 THR 29 1HG2 THR 29 1.581 -6.122 -3.111 226 HG23 THR 29 2HG2 THR 29 0.295 -6.602 -2.002 227 H SER 30 H SER 30 -0.528 -3.915 -2.832 228 HA SER 30 HA SER 30 -2.711 -4.192 -0.879 229 HG SER 30 HG SER 30 -4.777 -2.634 -1.895 230 HB2 SER 30 2HB SER 30 -2.756 -2.237 -2.418 231 HB3 SER 30 1HB SER 30 -2.867 -3.344 -3.787 232 H GLU 31 H GLU 31 -4.782 -5.228 -2.165 233 HA GLU 31 HA GLU 31 -3.853 -7.906 -3.020 234 HB2 GLU 31 2HB GLU 31 -6.258 -7.194 -1.323 235 HB3 GLU 31 1HB GLU 31 -5.923 -8.805 -1.947 236 HG2 GLU 31 2HG GLU 31 -3.771 -8.790 -0.712 237 HG3 GLU 31 1HG GLU 31 -4.219 -7.234 -0.021 238 H LEU 32 H LEU 32 -6.215 -9.060 -3.772 239 HA LEU 32 HA LEU 32 -6.460 -7.910 -6.407 240 HG LEU 32 HG LEU 32 -5.205 -10.560 -5.593 241 HB2 LEU 32 2HB LEU 32 -7.643 -10.395 -5.165 242 HB3 LEU 32 1HB LEU 32 -7.892 -9.934 -6.838 243 HD11 LEU 32 1HD1 LEU 32 -6.938 -12.186 -7.458 244 HD12 LEU 32 2HD1 LEU 32 -6.568 -12.561 -5.776 245 HD13 LEU 32 3HD1 LEU 32 -5.287 -12.589 -6.985 246 HD21 LEU 32 3HD2 LEU 32 -5.013 -8.941 -7.401 247 HD22 LEU 32 1HD2 LEU 32 -5.980 -9.972 -8.458 248 HD23 LEU 32 2HD2 LEU 32 -4.389 -10.507 -7.916 249 H TYR 33 H TYR 33 -7.776 -6.191 -6.644 250 HA TYR 33 HA TYR 33 -10.416 -6.069 -5.443 251 HD1 TYR 33 HD2 TYR 33 -7.028 -4.350 -5.989 252 HD2 TYR 33 HD1 TYR 33 -10.797 -2.864 -4.679 253 HE1 TYR 33 HE2 TYR 33 -5.917 -3.158 -4.153 254 HE2 TYR 33 HE1 TYR 33 -9.691 -1.671 -2.840 255 HH TYR 33 HH TYR 33 -6.309 -1.267 -2.684 256 HB2 TYR 33 2HB TYR 33 -9.074 -4.282 -7.495 257 HB3 TYR 33 1HB TYR 33 -10.643 -3.966 -6.764 258 H THR 34 H THR 34 -12.394 -6.130 -6.611 259 HA THR 34 HA THR 34 -12.529 -8.143 -8.606 260 HB THR 34 HB THR 34 -14.936 -7.620 -8.746 261 HG1 THR 34 HG1 THR 34 -15.502 -5.632 -8.328 262 HG21 THR 34 3HG2 THR 34 -15.513 -8.100 -6.414 263 HG22 THR 34 1HG2 THR 34 -13.891 -7.628 -5.905 264 HG23 THR 34 2HG2 THR 34 -14.118 -9.051 -6.920 265 H GLY 35 H GLY 35 -12.490 -4.628 -8.802 266 HA2 GLY 35 2HA GLY 35 -12.310 -4.832 -11.732 267 HA3 GLY 35 1HA GLY 35 -13.544 -3.785 -11.047 268 H LYS 36 H LYS 36 -11.672 -2.741 -12.762 269 HA LYS 36 HA LYS 36 -9.348 -1.738 -11.470 270 HB2 LYS 36 2HB LYS 36 -9.606 -1.984 -13.941 271 HB3 LYS 36 1HB LYS 36 -10.722 -0.626 -13.928 272 HG2 LYS 36 2HG LYS 36 -8.984 0.873 -13.207 273 HG3 LYS 36 1HG LYS 36 -7.859 -0.469 -12.991 274 HD2 LYS 36 2HD LYS 36 -7.380 0.711 -15.064 275 HD3 LYS 36 1HD LYS 36 -7.949 -0.923 -15.408 276 HE2 LYS 36 2HE LYS 36 -10.188 -0.033 -15.890 277 HE3 LYS 36 1HE LYS 36 -9.610 1.599 -15.552 278 HZ1 LYS 36 3HZ LYS 36 -8.633 -0.179 -17.717 279 HZ2 LYS 36 1HZ LYS 36 -8.043 1.371 -17.388 280 HZ3 LYS 36 2HZ LYS 36 -9.634 1.168 -17.916 281 H SER 37 H SER 37 -12.636 -0.532 -11.732 282 HA SER 37 HA SER 37 -12.264 2.129 -10.945 283 HG SER 37 HG SER 37 -15.067 2.943 -10.409 284 HB2 SER 37 2HB SER 37 -14.447 1.381 -11.679 285 HB3 SER 37 1HB SER 37 -14.559 0.245 -10.336 286 H GLY 38 H GLY 38 -13.078 -0.649 -8.830 287 HA2 GLY 38 2HA GLY 38 -12.701 0.677 -6.384 288 HA3 GLY 38 1HA GLY 38 -12.616 -1.061 -6.617 289 H ALA 39 H ALA 39 -10.386 -1.099 -8.394 290 HA ALA 39 HA ALA 39 -8.228 -1.141 -6.601 291 HB1 ALA 39 3HB ALA 39 -8.317 -2.469 -8.664 292 HB2 ALA 39 1HB ALA 39 -6.825 -1.534 -8.556 293 HB3 ALA 39 2HB ALA 39 -8.129 -0.997 -9.618 294 H MET 40 H MET 40 -8.820 1.192 -9.272 295 HA MET 40 HA MET 40 -6.722 2.948 -8.564 296 HB2 MET 40 2HB MET 40 -9.280 3.518 -10.080 297 HB3 MET 40 1HB MET 40 -7.908 4.614 -9.985 298 HG2 MET 40 2HG MET 40 -6.501 2.909 -11.076 299 HG3 MET 40 1HG MET 40 -7.916 1.867 -11.224 300 HE1 MET 40 3HE MET 40 -10.187 3.962 -13.658 301 HE2 MET 40 1HE MET 40 -10.192 4.088 -11.898 302 HE3 MET 40 2HE MET 40 -10.062 2.507 -12.670 303 H ASN 41 H ASN 41 -10.181 2.964 -7.743 304 HA ASN 41 HA ASN 41 -10.411 5.199 -6.160 305 HB2 ASN 41 2HB ASN 41 -12.289 3.703 -6.633 306 HB3 ASN 41 1HB ASN 41 -11.556 2.434 -5.664 307 HD21 ASN 41 1HD2 ASN 41 -11.540 2.657 -3.402 308 HD22 ASN 41 2HD2 ASN 41 -12.616 3.742 -2.600 309 H GLY 42 H GLY 42 -9.097 2.029 -5.250 310 HA2 GLY 42 2HA GLY 42 -8.446 2.659 -2.566 311 HA3 GLY 42 1HA GLY 42 -7.742 1.365 -3.522 312 H ILE 43 H ILE 43 -6.606 3.017 -5.593 313 HA ILE 43 HA ILE 43 -4.106 3.634 -4.398 314 HB ILE 43 HB ILE 43 -5.144 4.515 -7.107 315 HG12 ILE 43 2HG1 ILE 43 -3.494 2.086 -6.343 316 HG13 ILE 43 1HG1 ILE 43 -5.188 2.061 -6.817 317 HG21 ILE 43 1HG2 ILE 43 -3.215 5.825 -6.400 318 HG22 ILE 43 2HG2 ILE 43 -2.772 4.738 -7.715 319 HG23 ILE 43 3HG2 ILE 43 -2.315 4.346 -6.057 320 HD11 ILE 43 3HD1 ILE 43 -2.886 2.906 -8.562 321 HD12 ILE 43 1HD1 ILE 43 -4.583 2.849 -9.040 322 HD13 ILE 43 2HD1 ILE 43 -3.731 1.360 -8.631 323 H GLU 44 H GLU 44 -6.615 5.773 -5.771 324 HA GLU 44 HA GLU 44 -5.437 8.208 -4.973 325 HB2 GLU 44 2HB GLU 44 -8.373 7.583 -5.399 326 HB3 GLU 44 1HB GLU 44 -7.656 9.190 -5.365 327 HG2 GLU 44 2HG GLU 44 -6.313 8.626 -7.343 328 HG3 GLU 44 1HG GLU 44 -7.059 7.030 -7.382 329 H SER 45 H SER 45 -7.580 5.966 -3.288 330 HA SER 45 HA SER 45 -8.069 7.517 -0.985 331 HG SER 45 HG SER 45 -9.608 5.665 0.563 332 HB2 SER 45 2HB SER 45 -9.235 5.372 -1.493 333 HB3 SER 45 1HB SER 45 -7.749 4.501 -1.113 334 H VAL 46 H VAL 46 -5.444 5.187 -1.689 335 HA VAL 46 HA VAL 46 -3.951 5.423 0.639 336 HB VAL 46 HB VAL 46 -2.939 5.116 -2.206 337 HG11 VAL 46 1HG1 VAL 46 -1.127 5.926 -0.798 338 HG12 VAL 46 2HG1 VAL 46 -0.867 4.227 -1.196 339 HG13 VAL 46 3HG1 VAL 46 -1.466 4.677 0.401 340 HG21 VAL 46 3HG2 VAL 46 -3.432 3.056 -0.046 341 HG22 VAL 46 1HG2 VAL 46 -2.782 2.733 -1.653 342 HG23 VAL 46 2HG2 VAL 46 -4.435 3.317 -1.471 343 H GLN 47 H GLN 47 -3.632 7.386 -2.325 344 HA GLN 47 HA GLN 47 -1.704 9.184 -1.470 345 HB2 GLN 47 2HB GLN 47 -4.036 9.615 -3.351 346 HB3 GLN 47 1HB GLN 47 -2.710 10.756 -3.158 347 HG2 GLN 47 2HG GLN 47 -1.124 9.122 -3.966 348 HG3 GLN 47 1HG GLN 47 -2.383 7.891 -4.050 349 HE21 GLN 47 1HE2 GLN 47 -0.622 9.026 -6.131 350 HE22 GLN 47 2HE2 GLN 47 -1.691 9.583 -7.366 351 H THR 48 H THR 48 -5.161 9.205 -0.796 352 HA THR 48 HA THR 48 -5.129 11.813 0.464 353 HB THR 48 HB THR 48 -7.285 9.685 0.593 354 HG1 THR 48 HG1 THR 48 -7.047 10.220 -1.547 355 HG21 THR 48 3HG2 THR 48 -7.401 12.669 1.093 356 HG22 THR 48 1HG2 THR 48 -7.543 11.403 2.313 357 HG23 THR 48 2HG2 THR 48 -8.786 11.577 1.074 358 H ASN 49 H ASN 49 -4.953 8.470 1.530 359 HA ASN 49 HA ASN 49 -5.413 9.081 4.318 360 HB2 ASN 49 2HB ASN 49 -4.639 6.515 2.912 361 HB3 ASN 49 1HB ASN 49 -5.001 6.635 4.633 362 HD21 ASN 49 1HD2 ASN 49 -6.327 5.246 2.334 363 HD22 ASN 49 2HD2 ASN 49 -7.974 5.745 2.404 364 H SER 50 H SER 50 -2.621 8.605 2.277 365 HA SER 50 HA SER 50 -0.670 7.760 4.023 366 HG SER 50 HG SER 50 -0.921 7.901 0.769 367 HB2 SER 50 2HB SER 50 -0.351 9.718 1.736 368 HB3 SER 50 1HB SER 50 0.983 8.894 2.543 369 HA PRO 51 HA PRO 51 0.355 12.256 5.457 370 HB2 PRO 51 2HB PRO 51 -1.458 14.222 5.104 371 HB3 PRO 51 1HB PRO 51 -0.285 13.794 3.853 372 HG2 PRO 51 2HG PRO 51 -3.159 12.969 4.108 373 HG3 PRO 51 1HG PRO 51 -2.294 13.565 2.678 374 HD2 PRO 51 2HD PRO 51 -2.748 10.928 3.111 375 HD3 PRO 51 1HD PRO 51 -1.300 11.520 2.270 376 H ILE 52 H ILE 52 -2.236 10.346 6.139 377 HA ILE 52 HA ILE 52 -2.926 11.797 8.628 378 HB ILE 52 HB ILE 52 -4.569 9.676 7.223 379 HG12 ILE 52 2HG1 ILE 52 -5.040 12.674 7.319 380 HG13 ILE 52 1HG1 ILE 52 -4.423 11.801 5.920 381 HG21 ILE 52 1HG2 ILE 52 -5.255 11.488 9.545 382 HG22 ILE 52 2HG2 ILE 52 -4.923 9.759 9.644 383 HG23 ILE 52 3HG2 ILE 52 -6.347 10.333 8.778 384 HD11 ILE 52 3HD1 ILE 52 -6.511 10.533 5.799 385 HD12 ILE 52 1HD1 ILE 52 -6.784 12.272 5.681 386 HD13 ILE 52 2HD1 ILE 52 -7.127 11.427 7.190 387 H GLU 53 H GLU 53 -1.770 10.969 10.273 388 HA GLU 53 HA GLU 53 -0.455 8.500 10.308 389 HB2 GLU 53 2HB GLU 53 -1.304 9.845 12.868 390 HB3 GLU 53 1HB GLU 53 0.161 8.938 12.537 391 HG2 GLU 53 2HG GLU 53 0.937 11.101 12.640 392 HG3 GLU 53 1HG GLU 53 0.707 10.880 10.905 393 H ALA 54 H ALA 54 -3.655 9.387 11.469 394 HA ALA 54 HA ALA 54 -4.176 7.094 13.032 395 HB1 ALA 54 3HB ALA 54 -6.513 7.783 12.942 396 HB2 ALA 54 1HB ALA 54 -6.140 8.907 11.636 397 HB3 ALA 54 2HB ALA 54 -5.453 9.161 13.239 398 H ARG 55 H ARG 55 -4.022 7.416 9.625 399 HA ARG 55 HA ARG 55 -5.786 5.181 9.052 400 HE ARG 55 HE ARG 55 -8.021 7.222 5.537 401 HB2 ARG 55 2HB ARG 55 -3.830 6.643 7.263 402 HB3 ARG 55 1HB ARG 55 -5.003 5.449 6.726 403 HG2 ARG 55 2HG ARG 55 -5.641 8.128 7.959 404 HG3 ARG 55 1HG ARG 55 -5.746 7.718 6.249 405 HD2 ARG 55 2HD ARG 55 -7.304 5.770 7.371 406 HD3 ARG 55 1HD ARG 55 -7.604 7.130 8.455 407 HH11 ARG 55 1HH1 ARG 55 -8.914 8.219 8.726 408 HH12 ARG 55 2HH1 ARG 55 -10.299 9.091 8.162 409 HH21 ARG 55 1HH2 ARG 55 -9.781 8.354 4.854 410 HH22 ARG 55 2HH2 ARG 55 -10.781 9.171 6.006 411 H TYR 56 H TYR 56 -2.499 5.622 9.918 412 HA TYR 56 HA TYR 56 -1.539 3.129 8.775 413 HD1 TYR 56 HD1 TYR 56 -1.442 6.451 8.438 414 HD2 TYR 56 HD2 TYR 56 2.094 4.079 8.381 415 HE1 TYR 56 HE1 TYR 56 -0.675 7.644 6.430 416 HE2 TYR 56 HE2 TYR 56 2.863 5.263 6.375 417 HH TYR 56 HH TYR 56 1.432 8.133 5.271 418 HB2 TYR 56 2HB TYR 56 -0.248 5.171 10.602 419 HB3 TYR 56 1HB TYR 56 0.564 3.711 10.053 420 H ALA 57 H ALA 57 -2.574 1.412 9.735 421 HA ALA 57 HA ALA 57 -2.842 1.246 12.622 422 HB1 ALA 57 3HB ALA 57 -3.983 -0.861 12.199 423 HB2 ALA 57 1HB ALA 57 -3.495 -0.807 10.503 424 HB3 ALA 57 2HB ALA 57 -4.614 0.399 11.138 425 H LYS 58 H LYS 58 -0.886 0.970 13.630 426 HA LYS 58 HA LYS 58 1.165 -0.759 12.577 427 HB2 LYS 58 2HB LYS 58 0.904 0.790 15.151 428 HB3 LYS 58 1HB LYS 58 2.245 -0.309 14.867 429 HG2 LYS 58 2HG LYS 58 2.790 1.019 12.811 430 HG3 LYS 58 1HG LYS 58 1.570 2.189 13.322 431 HD2 LYS 58 2HD LYS 58 2.782 2.635 15.367 432 HD3 LYS 58 1HD LYS 58 3.932 1.346 15.016 433 HE2 LYS 58 2HE LYS 58 4.631 2.616 12.983 434 HE3 LYS 58 1HE LYS 58 3.582 3.936 13.501 435 HZ1 LYS 58 3HZ LYS 58 4.881 4.158 15.507 436 HZ2 LYS 58 1HZ LYS 58 5.902 4.268 14.160 437 HZ3 LYS 58 2HZ LYS 58 5.851 2.846 15.074 438 H GLU 59 H GLU 59 1.500 -2.854 12.973 439 HA GLU 59 HA GLU 59 0.394 -4.090 15.389 440 HB2 GLU 59 2HB GLU 59 -1.242 -4.421 13.513 441 HB3 GLU 59 1HB GLU 59 0.007 -5.289 12.631 442 HG2 GLU 59 2HG GLU 59 -1.499 -6.854 13.690 443 HG3 GLU 59 1HG GLU 59 0.097 -6.967 14.432 444 H VAL 60 H VAL 60 1.560 -5.901 16.121 445 HA VAL 60 HA VAL 60 4.098 -6.438 14.688 446 HB VAL 60 HB VAL 60 3.679 -6.422 17.691 447 HG11 VAL 60 1HG1 VAL 60 6.192 -6.863 16.067 448 HG12 VAL 60 2HG1 VAL 60 5.331 -8.084 17.006 449 HG13 VAL 60 3HG1 VAL 60 6.114 -6.733 17.825 450 HG21 VAL 60 3HG2 VAL 60 5.133 -4.447 17.699 451 HG22 VAL 60 1HG2 VAL 60 3.668 -4.160 16.758 452 HG23 VAL 60 2HG2 VAL 60 5.197 -4.480 15.936 453 H ALA 61 H ALA 61 4.370 -8.484 14.070 454 HA ALA 61 HA ALA 61 2.575 -10.583 14.794 455 HB1 ALA 61 3HB ALA 61 3.957 -11.996 13.387 456 HB2 ALA 61 1HB ALA 61 5.232 -10.775 13.369 457 HB3 ALA 61 2HB ALA 61 3.682 -10.444 12.595 458 H LYS 62 H LYS 62 3.132 -12.599 15.873 459 HA LYS 62 HA LYS 62 4.129 -12.212 18.422 460 HB2 LYS 62 2HB LYS 62 4.051 -14.623 18.713 461 HB3 LYS 62 1HB LYS 62 2.651 -14.074 17.802 462 HG2 LYS 62 2HG LYS 62 3.613 -14.878 15.738 463 HG3 LYS 62 1HG LYS 62 5.118 -15.297 16.563 464 HD2 LYS 62 2HD LYS 62 3.866 -16.923 17.951 465 HD3 LYS 62 1HD LYS 62 2.401 -16.540 17.044 466 HE2 LYS 62 2HE LYS 62 3.418 -17.366 14.998 467 HE3 LYS 62 1HE LYS 62 4.940 -17.657 15.842 468 HZ1 LYS 62 3HZ LYS 62 2.357 -19.051 16.289 469 HZ2 LYS 62 1HZ LYS 62 3.722 -19.245 17.273 470 HZ3 LYS 62 2HZ LYS 62 3.779 -19.707 15.651 471 H ASN 63 H ASN 63 5.925 -13.034 15.548 472 HA ASN 63 HA ASN 63 8.311 -13.838 16.996 473 HB2 ASN 63 2HB ASN 63 7.576 -14.774 14.743 474 HB3 ASN 63 1HB ASN 63 8.076 -13.239 14.036 475 HD21 ASN 63 1HD2 ASN 63 9.682 -14.168 12.804 476 HD22 ASN 63 2HD2 ASN 63 11.134 -14.802 13.489 477 H ASP 64 H ASP 64 7.160 -11.039 17.269 478 HA ASP 64 HA ASP 64 7.953 -8.954 17.678 479 HB2 ASP 64 2HB ASP 64 9.836 -10.237 18.723 480 HB3 ASP 64 1HB ASP 64 10.710 -10.119 17.200 481 H LYS 65 H LYS 65 7.409 -9.958 14.899 482 HA LYS 65 HA LYS 65 9.046 -8.204 13.237 483 HB2 LYS 65 2HB LYS 65 6.862 -10.188 12.589 484 HB3 LYS 65 1HB LYS 65 7.619 -9.165 11.374 485 HG2 LYS 65 2HG LYS 65 9.773 -10.181 11.811 486 HG3 LYS 65 1HG LYS 65 9.078 -11.152 13.108 487 HD2 LYS 65 2HD LYS 65 9.355 -12.456 11.047 488 HD3 LYS 65 1HD LYS 65 7.662 -12.324 11.505 489 HE2 LYS 65 2HE LYS 65 8.949 -10.509 9.475 490 HE3 LYS 65 1HE LYS 65 8.214 -12.051 9.043 491 HZ1 LYS 65 3HZ LYS 65 6.154 -11.148 10.196 492 HZ2 LYS 65 1HZ LYS 65 6.556 -10.469 8.701 493 HZ3 LYS 65 2HZ LYS 65 6.900 -9.632 10.127 494 HA PRO 66 HA PRO 66 5.721 -5.147 13.861 495 HB2 PRO 66 2HB PRO 66 7.189 -2.952 13.396 496 HB3 PRO 66 1HB PRO 66 7.357 -3.863 14.904 497 HG2 PRO 66 2HG PRO 66 9.081 -3.942 12.443 498 HG3 PRO 66 1HG PRO 66 9.572 -3.863 14.148 499 HD2 PRO 66 2HD PRO 66 9.509 -6.184 12.696 500 HD3 PRO 66 1HD PRO 66 9.295 -6.126 14.456 501 H TYR 67 H TYR 67 4.378 -4.139 12.432 502 HA TYR 67 HA TYR 67 5.230 -3.167 9.873 503 HD1 TYR 67 HD2 TYR 67 4.059 -6.851 11.428 504 HD2 TYR 67 HD1 TYR 67 1.576 -4.956 8.528 505 HE1 TYR 67 HE2 TYR 67 2.146 -8.196 12.191 506 HE2 TYR 67 HE1 TYR 67 -0.339 -6.294 9.288 507 HH TYR 67 HH TYR 67 -0.700 -8.507 10.453 508 HB2 TYR 67 2HB TYR 67 3.921 -4.632 8.451 509 HB3 TYR 67 1HB TYR 67 5.003 -5.621 9.418 510 H PHE 68 H PHE 68 2.990 -2.606 8.572 511 HA PHE 68 HA PHE 68 0.832 -2.010 10.425 512 HD1 PHE 68 HD2 PHE 68 4.165 0.120 8.756 513 HD2 PHE 68 HD1 PHE 68 0.128 1.181 7.918 514 HE1 PHE 68 HE2 PHE 68 4.893 1.270 6.708 515 HE2 PHE 68 HE1 PHE 68 0.855 2.338 5.872 516 HZ PHE 68 HZ PHE 68 3.238 2.381 5.265 517 HB2 PHE 68 2HB PHE 68 0.749 0.340 10.084 518 HB3 PHE 68 1HB PHE 68 2.422 -0.026 10.481 519 H ASN 69 H ASN 69 -1.133 -1.332 9.387 520 HA ASN 69 HA ASN 69 -1.261 -2.005 6.509 521 HB2 ASN 69 2HB ASN 69 -3.431 -2.325 8.603 522 HB3 ASN 69 1HB ASN 69 -3.588 -2.712 6.892 523 HD21 ASN 69 1HD2 ASN 69 -2.261 -3.690 9.935 524 HD22 ASN 69 2HD2 ASN 69 -1.773 -5.270 9.440 525 H LEU 70 H LEU 70 -2.716 -0.761 5.219 526 HA LEU 70 HA LEU 70 -3.292 1.904 6.351 527 HG LEU 70 HG LEU 70 -4.129 3.265 3.704 528 HB2 LEU 70 2HB LEU 70 -1.590 1.830 4.530 529 HB3 LEU 70 1HB LEU 70 -2.812 1.179 3.453 530 HD11 LEU 70 1HD1 LEU 70 -3.409 3.946 5.919 531 HD12 LEU 70 2HD1 LEU 70 -3.079 5.231 4.756 532 HD13 LEU 70 3HD1 LEU 70 -1.764 4.206 5.334 533 HD21 LEU 70 3HD2 LEU 70 -1.268 3.649 2.816 534 HD22 LEU 70 1HD2 LEU 70 -2.617 4.711 2.404 535 HD23 LEU 70 2HD2 LEU 70 -2.602 3.042 1.833 536 H LYS 71 H LYS 71 -5.347 2.484 6.516 537 HA LYS 71 HA LYS 71 -7.369 1.088 4.875 538 HB2 LYS 71 2HB LYS 71 -7.472 1.774 7.812 539 HB3 LYS 71 1HB LYS 71 -8.913 1.387 6.882 540 HG2 LYS 71 2HG LYS 71 -7.913 -0.809 6.331 541 HG3 LYS 71 1HG LYS 71 -6.550 -0.417 7.381 542 HD2 LYS 71 2HD LYS 71 -9.404 -0.407 8.353 543 HD3 LYS 71 1HD LYS 71 -8.402 -1.856 8.380 544 HE2 LYS 71 2HE LYS 71 -8.274 -0.877 10.540 545 HE3 LYS 71 1HE LYS 71 -6.735 -0.569 9.744 546 HZ1 LYS 71 3HZ LYS 71 -8.966 1.376 10.043 547 HZ2 LYS 71 1HZ LYS 71 -7.506 1.684 9.249 548 HZ3 LYS 71 2HZ LYS 71 -7.517 1.384 10.908 549 H ALA 72 H ALA 72 -9.208 2.226 4.302 550 HA ALA 72 HA ALA 72 -8.989 5.141 4.320 551 HB1 ALA 72 3HB ALA 72 -9.463 3.998 2.199 552 HB2 ALA 72 1HB ALA 72 -10.771 5.088 2.659 553 HB3 ALA 72 2HB ALA 72 -10.953 3.348 2.885 554 H ALA 73 H ALA 73 -11.341 6.221 4.426 555 HA ALA 73 HA ALA 73 -12.179 6.198 7.075 556 HB1 ALA 73 3HB ALA 73 -13.801 7.035 4.671 557 HB2 ALA 73 1HB ALA 73 -12.609 8.031 5.507 558 HB3 ALA 73 2HB ALA 73 -14.079 7.530 6.342 559 H ASN 74 H ASN 74 -13.450 4.299 4.363 560 HA ASN 74 HA ASN 74 -15.700 3.236 5.762 561 HB2 ASN 74 2HB ASN 74 -15.454 3.293 3.269 562 HB3 ASN 74 1HB ASN 74 -14.242 2.026 3.401 563 HD21 ASN 74 1HD2 ASN 74 -15.404 0.544 2.227 564 HD22 ASN 74 2HD2 ASN 74 -16.842 -0.203 2.823 565 H HIS 75 H HIS 75 -12.493 2.768 6.347 566 HA HIS 75 HA HIS 75 -11.326 1.381 7.723 567 HD1 HIS 75 HD1 HIS 75 -15.309 2.130 8.815 568 HD2 HIS 75 HD2 HIS 75 -11.724 1.766 10.883 569 HE1 HIS 75 HE1 HIS 75 -15.383 3.888 10.600 570 HE2 HIS 75 HE2 HIS 75 -13.224 3.629 11.864 571 HB2 HIS 75 2HB HIS 75 -14.001 0.035 8.195 572 HB3 HIS 75 1HB HIS 75 -12.527 -0.307 9.098 573 H GLN 76 H GLN 76 -11.873 0.867 4.864 574 HA GLN 76 HA GLN 76 -11.750 -2.008 4.525 575 HB2 GLN 76 2HB GLN 76 -11.765 -1.523 2.158 576 HB3 GLN 76 1HB GLN 76 -12.955 -0.492 2.944 577 HG2 GLN 76 2HG GLN 76 -11.064 1.276 2.982 578 HG3 GLN 76 1HG GLN 76 -10.294 0.252 1.776 579 HE21 GLN 76 1HE2 GLN 76 -12.815 2.485 2.431 580 HE22 GLN 76 2HE2 GLN 76 -13.388 2.644 0.809 581 H ILE 77 H ILE 77 -9.929 -3.214 4.058 582 HA ILE 77 HA ILE 77 -7.335 -2.034 4.517 583 HB ILE 77 HB ILE 77 -8.153 -4.849 3.754 584 HG12 ILE 77 2HG1 ILE 77 -8.722 -4.016 6.066 585 HG13 ILE 77 1HG1 ILE 77 -7.660 -5.421 6.042 586 HG21 ILE 77 1HG2 ILE 77 -5.820 -5.508 4.250 587 HG22 ILE 77 2HG2 ILE 77 -5.387 -3.803 4.393 588 HG23 ILE 77 3HG2 ILE 77 -5.939 -4.447 2.846 589 HD11 ILE 77 3HD1 ILE 77 -6.777 -2.571 6.448 590 HD12 ILE 77 1HD1 ILE 77 -5.747 -4.002 6.501 591 HD13 ILE 77 2HD1 ILE 77 -7.001 -3.771 7.719 592 H ILE 78 H ILE 78 -6.650 -0.702 2.918 593 HA ILE 78 HA ILE 78 -6.793 -1.625 0.125 594 HB ILE 78 HB ILE 78 -6.132 0.692 -0.485 595 HG12 ILE 78 2HG1 ILE 78 -6.381 1.201 2.497 596 HG13 ILE 78 1HG1 ILE 78 -4.900 1.291 1.552 597 HG21 ILE 78 1HG2 ILE 78 -8.493 0.041 -0.391 598 HG22 ILE 78 2HG2 ILE 78 -8.272 1.735 0.045 599 HG23 ILE 78 3HG2 ILE 78 -8.562 0.532 1.302 600 HD11 ILE 78 3HD1 ILE 78 -5.760 3.497 2.025 601 HD12 ILE 78 1HD1 ILE 78 -7.298 3.088 1.266 602 HD13 ILE 78 2HD1 ILE 78 -5.829 3.174 0.293 603 H GLY 79 H GLY 79 -4.516 -1.068 2.698 604 HA2 GLY 79 2HA GLY 79 -2.346 -1.939 0.886 605 HA3 GLY 79 1HA GLY 79 -2.114 -0.516 1.888 606 H THR 80 H THR 80 -0.844 -3.290 1.757 607 HA THR 80 HA THR 80 -0.845 -3.713 4.682 608 HB THR 80 HB THR 80 -0.797 -5.927 2.607 609 HG1 THR 80 HG1 THR 80 -2.810 -4.814 4.196 610 HG21 THR 80 3HG2 THR 80 0.618 -6.456 4.539 611 HG22 THR 80 1HG2 THR 80 -0.834 -7.458 4.529 612 HG23 THR 80 2HG2 THR 80 -0.719 -6.083 5.626 613 H SER 81 H SER 81 1.165 -3.663 5.547 614 HA SER 81 HA SER 81 3.432 -3.115 3.895 615 HG SER 81 HG SER 81 2.361 -1.653 6.099 616 HB2 SER 81 2HB SER 81 3.195 -3.653 6.860 617 HB3 SER 81 1HB SER 81 4.717 -3.244 6.070 618 H GLN 82 H GLN 82 5.370 -4.279 3.677 619 HA GLN 82 HA GLN 82 5.163 -7.155 3.661 620 HB2 GLN 82 2HB GLN 82 7.538 -5.348 3.134 621 HB3 GLN 82 1HB GLN 82 7.478 -7.074 2.801 622 HG2 GLN 82 2HG GLN 82 5.726 -4.982 1.511 623 HG3 GLN 82 1HG GLN 82 7.152 -5.720 0.782 624 HE21 GLN 82 1HE2 GLN 82 3.835 -6.216 1.727 625 HE22 GLN 82 2HE2 GLN 82 3.605 -7.699 0.872 626 H MET 83 H MET 83 7.429 -8.242 4.566 627 HA MET 83 HA MET 83 7.038 -8.043 7.414 628 HB2 MET 83 2HB MET 83 8.534 -9.944 7.607 629 HB3 MET 83 1HB MET 83 7.374 -10.228 6.316 630 HG2 MET 83 2HG MET 83 9.028 -9.755 4.639 631 HG3 MET 83 1HG MET 83 10.191 -9.257 5.868 632 HE1 MET 83 3HE MET 83 8.740 -13.609 5.286 633 HE2 MET 83 1HE MET 83 8.255 -12.268 4.246 634 HE3 MET 83 2HE MET 83 7.701 -12.334 5.920 635 H TYR 84 H TYR 84 8.316 -7.190 8.941 636 HA TYR 84 HA TYR 84 11.057 -6.341 8.255 637 HD1 TYR 84 HD1 TYR 84 7.839 -4.491 7.577 638 HD2 TYR 84 HD2 TYR 84 11.804 -3.133 8.348 639 HE1 TYR 84 HE1 TYR 84 7.697 -2.984 5.640 640 HE2 TYR 84 HE2 TYR 84 11.670 -1.625 6.410 641 HH TYR 84 HH TYR 84 10.430 -1.372 4.344 642 HB2 TYR 84 2HB TYR 84 8.968 -4.808 9.818 643 HB3 TYR 84 1HB TYR 84 10.683 -4.460 9.967 644 H SER 85 H SER 85 12.144 -5.729 10.554 645 HA SER 85 HA SER 85 11.282 -7.559 12.674 646 HG SER 85 HG SER 85 11.914 -9.033 10.967 647 HB2 SER 85 2HB SER 85 14.086 -7.588 11.522 648 HB3 SER 85 1HB SER 85 13.593 -8.427 12.992 649 H SER 86 H SER 86 13.190 -4.808 11.649 650 HA SER 86 HA SER 86 13.648 -3.979 14.421 651 HG SER 86 HG SER 86 15.873 -1.792 13.850 652 HB2 SER 86 2HB SER 86 15.543 -3.657 12.973 653 HB3 SER 86 1HB SER 86 14.560 -2.811 11.781 654 H THR 87 H THR 87 12.515 -2.412 15.438 655 HA THR 87 HA THR 87 10.117 -1.348 14.357 656 HB THR 87 HB THR 87 10.083 0.126 16.365 657 HG1 THR 87 HG1 THR 87 11.810 0.262 17.687 658 HG21 THR 87 3HG2 THR 87 10.834 -2.745 16.960 659 HG22 THR 87 1HG2 THR 87 9.223 -2.171 16.528 660 HG23 THR 87 2HG2 THR 87 9.965 -1.659 18.044 661 H ALA 88 H ALA 88 13.297 0.134 14.967 662 HA ALA 88 HA ALA 88 12.767 2.711 14.049 663 HB1 ALA 88 3HB ALA 88 14.814 2.092 15.250 664 HB2 ALA 88 1HB ALA 88 15.179 2.947 13.751 665 HB3 ALA 88 2HB ALA 88 15.374 1.195 13.837 666 H ALA 89 H ALA 89 14.088 -0.059 12.216 667 HA ALA 89 HA ALA 89 14.228 1.161 9.702 668 HB1 ALA 89 3HB ALA 89 13.677 -1.749 10.301 669 HB2 ALA 89 1HB ALA 89 15.272 -1.000 10.211 670 HB3 ALA 89 2HB ALA 89 14.259 -1.094 8.771 671 H ARG 90 H ARG 90 11.488 -0.260 11.386 672 HA ARG 90 HA ARG 90 9.749 -0.388 9.149 673 HE ARG 90 HE ARG 90 8.264 0.106 8.312 674 HB2 ARG 90 2HB ARG 90 9.602 -1.304 11.701 675 HB3 ARG 90 1HB ARG 90 8.529 0.079 11.814 676 HG2 ARG 90 2HG ARG 90 8.265 -2.242 9.902 677 HG3 ARG 90 1HG ARG 90 7.283 -1.947 11.333 678 HD2 ARG 90 2HD ARG 90 5.943 -1.233 9.549 679 HD3 ARG 90 1HD ARG 90 6.617 0.257 10.202 680 HH11 ARG 90 1HH1 ARG 90 5.202 -1.410 8.082 681 HH12 ARG 90 2HH1 ARG 90 5.130 -1.278 6.364 682 HH21 ARG 90 1HH2 ARG 90 8.204 0.239 6.092 683 HH22 ARG 90 2HH2 ARG 90 6.829 -0.368 5.246 684 H ASP 91 H ASP 91 10.009 2.037 11.787 685 HA ASP 91 HA ASP 91 8.133 3.846 10.747 686 HB2 ASP 91 2HB ASP 91 10.521 4.275 12.548 687 HB3 ASP 91 1HB ASP 91 9.376 5.556 12.156 688 H ASN 92 H ASN 92 11.549 3.409 9.959 689 HA ASN 92 HA ASN 92 11.918 5.672 8.330 690 HB2 ASN 92 2HB ASN 92 13.058 2.885 7.954 691 HB3 ASN 92 1HB ASN 92 13.644 4.336 7.149 692 HD21 ASN 92 1HD2 ASN 92 15.081 2.540 8.885 693 HD22 ASN 92 2HD2 ASN 92 15.641 3.477 10.220 694 H GLY 93 H GLY 93 10.805 2.394 7.411 695 HA2 GLY 93 2HA GLY 93 10.113 2.908 4.758 696 HA3 GLY 93 1HA GLY 93 9.341 1.703 5.776 697 H ILE 94 H ILE 94 8.259 3.552 7.704 698 HA ILE 94 HA ILE 94 5.837 4.332 6.487 699 HB ILE 94 HB ILE 94 7.050 5.228 9.114 700 HG12 ILE 94 2HG1 ILE 94 5.021 3.084 8.415 701 HG13 ILE 94 1HG1 ILE 94 6.656 2.824 9.012 702 HG21 ILE 94 1HG2 ILE 94 4.790 5.946 9.748 703 HG22 ILE 94 2HG2 ILE 94 4.205 5.549 8.132 704 HG23 ILE 94 3HG2 ILE 94 5.375 6.851 8.352 705 HD11 ILE 94 3HD1 ILE 94 4.399 4.105 10.535 706 HD12 ILE 94 1HD1 ILE 94 6.035 3.852 11.140 707 HD13 ILE 94 2HD1 ILE 94 5.013 2.468 10.754 708 H LYS 95 H LYS 95 8.819 6.124 7.147 709 HA LYS 95 HA LYS 95 7.927 8.678 6.321 710 HB2 LYS 95 2HB LYS 95 10.699 7.477 6.080 711 HB3 LYS 95 1HB LYS 95 10.312 9.185 5.938 712 HG2 LYS 95 2HG LYS 95 9.517 9.171 8.276 713 HG3 LYS 95 1HG LYS 95 10.010 7.480 8.406 714 HD2 LYS 95 2HD LYS 95 12.328 8.095 7.963 715 HD3 LYS 95 1HD LYS 95 11.857 9.780 7.731 716 HE2 LYS 95 2HE LYS 95 11.685 8.182 10.287 717 HE3 LYS 95 1HE LYS 95 12.793 9.510 9.937 718 HZ1 LYS 95 3HZ LYS 95 11.101 10.465 11.190 719 HZ2 LYS 95 1HZ LYS 95 9.875 9.619 10.390 720 HZ3 LYS 95 2HZ LYS 95 10.684 10.878 9.605 721 H SER 96 H SER 96 9.460 6.026 4.522 722 HA SER 96 HA SER 96 9.629 7.239 2.019 723 HG SER 96 HG SER 96 10.530 5.373 0.401 724 HB2 SER 96 2HB SER 96 10.703 5.086 2.560 725 HB3 SER 96 1HB SER 96 9.120 4.308 2.601 726 H VAL 97 H VAL 97 6.955 5.243 3.318 727 HA VAL 97 HA VAL 97 5.374 5.422 0.973 728 HB VAL 97 HB VAL 97 4.969 3.616 2.501 729 HG11 VAL 97 1HG1 VAL 97 4.110 5.686 4.518 730 HG12 VAL 97 2HG1 VAL 97 5.562 4.684 4.593 731 HG13 VAL 97 3HG1 VAL 97 3.968 3.938 4.710 732 HG21 VAL 97 3HG2 VAL 97 2.583 5.469 2.424 733 HG22 VAL 97 1HG2 VAL 97 2.528 3.731 2.727 734 HG23 VAL 97 2HG2 VAL 97 3.067 4.337 1.162 735 H MET 98 H MET 98 5.312 7.393 3.980 736 HA MET 98 HA MET 98 3.022 8.878 3.271 737 HB2 MET 98 2HB MET 98 3.662 10.498 4.942 738 HB3 MET 98 1HB MET 98 3.983 8.885 5.556 739 HG2 MET 98 2HG MET 98 6.353 9.160 5.068 740 HG3 MET 98 1HG MET 98 6.041 10.771 4.425 741 HE1 MET 98 3HE MET 98 4.904 12.731 7.617 742 HE2 MET 98 1HE MET 98 3.882 11.934 6.422 743 HE3 MET 98 2HE MET 98 5.297 12.849 5.901 744 H GLU 99 H GLU 99 6.399 9.242 2.332 745 HA GLU 99 HA GLU 99 6.030 11.694 0.885 746 HB2 GLU 99 2HB GLU 99 8.093 9.511 0.479 747 HB3 GLU 99 1HB GLU 99 8.160 11.121 -0.221 748 HG2 GLU 99 2HG GLU 99 8.380 12.098 1.998 749 HG3 GLU 99 1HG GLU 99 8.267 10.493 2.726 750 H ASN 100 H ASN 100 6.302 8.297 -0.142 751 HA ASN 100 HA ASN 100 5.800 8.832 -2.895 752 HB2 ASN 100 2HB ASN 100 5.729 6.204 -1.390 753 HB3 ASN 100 1HB ASN 100 5.779 6.381 -3.143 754 HD21 ASN 100 1HD2 ASN 100 7.668 5.073 -1.357 755 HD22 ASN 100 2HD2 ASN 100 9.187 5.840 -1.626 756 H GLY 101 H GLY 101 3.675 8.653 -0.282 757 HA2 GLY 101 2HA GLY 101 1.368 7.816 -1.838 758 HA3 GLY 101 1HA GLY 101 1.357 8.414 -0.185 759 H LYS 102 H LYS 102 3.106 10.704 -1.343 760 HA LYS 102 HA LYS 102 0.843 12.453 -1.941 761 HB2 LYS 102 2HB LYS 102 3.738 13.056 -1.300 762 HB3 LYS 102 1HB LYS 102 2.508 14.279 -1.591 763 HG2 LYS 102 2HG LYS 102 1.278 13.599 0.361 764 HG3 LYS 102 1HG LYS 102 2.348 12.217 0.606 765 HD2 LYS 102 2HD LYS 102 2.871 14.067 2.142 766 HD3 LYS 102 1HD LYS 102 4.217 13.709 1.062 767 HE2 LYS 102 2HE LYS 102 3.910 16.113 1.296 768 HE3 LYS 102 1HE LYS 102 3.580 15.603 -0.358 769 HZ1 LYS 102 3HZ LYS 102 1.547 16.192 1.720 770 HZ2 LYS 102 1HZ LYS 102 1.207 15.672 0.150 771 HZ3 LYS 102 2HZ LYS 102 1.936 17.172 0.402 772 H THR 103 H THR 103 2.808 10.598 -3.780 773 HA THR 103 HA THR 103 3.178 12.578 -5.918 774 HB THR 103 HB THR 103 5.131 11.198 -5.513 775 HG1 THR 103 HG1 THR 103 5.495 10.909 -7.619 776 HG21 THR 103 3HG2 THR 103 3.382 8.829 -6.209 777 HG22 THR 103 1HG2 THR 103 4.026 9.196 -4.609 778 HG23 THR 103 2HG2 THR 103 5.122 8.784 -5.927 779 H THR 104 H THR 104 2.260 12.403 -7.936 780 HA THR 104 HA THR 104 -0.174 10.798 -8.098 781 HB THR 104 HB THR 104 -0.678 12.088 -10.130 782 HG1 THR 104 HG1 THR 104 0.753 13.652 -10.872 783 HG21 THR 104 3HG2 THR 104 -0.871 14.316 -9.089 784 HG22 THR 104 1HG2 THR 104 0.230 13.804 -7.810 785 HG23 THR 104 2HG2 THR 104 -1.345 13.029 -7.981 786 H THR 105 H THR 105 2.954 10.126 -8.770 787 HA THR 105 HA THR 105 2.884 9.108 -11.416 788 HB THR 105 HB THR 105 4.657 8.086 -9.180 789 HG1 THR 105 HG1 THR 105 4.992 10.329 -10.926 790 HG21 THR 105 3HG2 THR 105 5.044 8.156 -12.184 791 HG22 THR 105 1HG2 THR 105 4.680 6.721 -11.226 792 HG23 THR 105 2HG2 THR 105 6.216 7.562 -11.006 793 H ILE 106 H ILE 106 0.996 7.891 -11.684 794 HA ILE 106 HA ILE 106 0.916 5.286 -10.279 795 HB ILE 106 HB ILE 106 -1.360 6.720 -11.680 796 HG12 ILE 106 2HG1 ILE 106 -0.871 6.336 -8.709 797 HG13 ILE 106 1HG1 ILE 106 -0.635 7.845 -9.583 798 HG21 ILE 106 1HG2 ILE 106 -2.788 4.996 -10.664 799 HG22 ILE 106 2HG2 ILE 106 -1.355 4.196 -10.015 800 HG23 ILE 106 3HG2 ILE 106 -1.596 4.296 -11.761 801 HD11 ILE 106 3HD1 ILE 106 -3.021 7.908 -10.109 802 HD12 ILE 106 1HD1 ILE 106 -2.730 7.856 -8.369 803 HD13 ILE 106 2HD1 ILE 106 -3.252 6.401 -9.220 804 H LYS 107 H LYS 107 1.769 3.714 -11.511 805 HA LYS 107 HA LYS 107 1.645 3.866 -14.428 806 HB2 LYS 107 2HB LYS 107 3.153 2.063 -12.528 807 HB3 LYS 107 1HB LYS 107 3.122 1.797 -14.266 808 HG2 LYS 107 2HG LYS 107 4.128 4.007 -14.617 809 HG3 LYS 107 1HG LYS 107 4.181 4.251 -12.869 810 HD2 LYS 107 2HD LYS 107 6.351 3.499 -13.821 811 HD3 LYS 107 1HD LYS 107 5.708 2.399 -12.602 812 HE2 LYS 107 2HE LYS 107 6.633 1.199 -14.552 813 HE3 LYS 107 1HE LYS 107 4.911 0.890 -14.336 814 HZ1 LYS 107 3HZ LYS 107 5.566 1.302 -16.664 815 HZ2 LYS 107 1HZ LYS 107 6.024 2.874 -16.242 816 HZ3 LYS 107 2HZ LYS 107 4.408 2.399 -16.106 817 H ASP 108 H ASP 108 0.098 2.852 -15.542 818 HA ASP 108 HA ASP 108 -1.368 0.623 -14.378 819 HB2 ASP 108 2HB ASP 108 -2.628 2.283 -15.670 820 HB3 ASP 108 1HB ASP 108 -1.624 1.971 -17.084 821 H LEU 109 H LEU 109 -0.838 -1.434 -14.697 822 HA LEU 109 HA LEU 109 0.946 -2.139 -16.948 823 HG LEU 109 HG LEU 109 1.875 -1.362 -13.905 824 HB2 LEU 109 2HB LEU 109 0.790 -3.521 -14.263 825 HB3 LEU 109 1HB LEU 109 1.905 -3.890 -15.567 826 HD11 LEU 109 1HD1 LEU 109 3.853 -3.639 -14.004 827 HD12 LEU 109 2HD1 LEU 109 2.709 -3.314 -12.703 828 HD13 LEU 109 3HD1 LEU 109 4.005 -2.169 -13.041 829 HD21 LEU 109 3HD2 LEU 109 2.564 -0.849 -16.179 830 HD22 LEU 109 1HD2 LEU 109 3.723 -2.179 -16.153 831 HD23 LEU 109 2HD2 LEU 109 3.953 -0.786 -15.096 832 H THR 110 H THR 110 -2.021 -2.079 -16.764 833 HA THR 110 HA THR 110 -2.680 -4.940 -17.020 834 HB THR 110 HB THR 110 -4.997 -4.330 -16.938 835 HG1 THR 110 HG1 THR 110 -4.360 -1.561 -16.823 836 HG21 THR 110 3HG2 THR 110 -3.897 -4.340 -14.762 837 HG22 THR 110 1HG2 THR 110 -5.153 -3.104 -14.801 838 HG23 THR 110 2HG2 THR 110 -3.457 -2.641 -14.954 839 H LEU 111 H LEU 111 -2.770 -1.888 -18.813 840 HA LEU 111 HA LEU 111 -3.601 -3.055 -21.300 841 HG LEU 111 HG LEU 111 -4.465 -0.588 -19.640 842 HB2 LEU 111 2HB LEU 111 -2.217 -0.423 -20.732 843 HB3 LEU 111 1HB LEU 111 -2.965 -0.865 -22.255 844 HD11 LEU 111 1HD1 LEU 111 -4.268 1.345 -21.954 845 HD12 LEU 111 2HD1 LEU 111 -3.583 1.572 -20.343 846 HD13 LEU 111 3HD1 LEU 111 -5.331 1.509 -20.556 847 HD21 LEU 111 3HD2 LEU 111 -6.460 -0.638 -21.053 848 HD22 LEU 111 1HD2 LEU 111 -5.524 -2.122 -21.220 849 HD23 LEU 111 2HD2 LEU 111 -5.454 -0.890 -22.480 850 H GLU 112 H GLU 112 -0.501 -2.321 -19.798 851 HA GLU 112 HA GLU 112 0.874 -3.899 -21.868 852 HB2 GLU 112 2HB GLU 112 2.663 -2.293 -22.086 853 HB3 GLU 112 1HB GLU 112 1.142 -1.472 -22.417 854 HG2 GLU 112 2HG GLU 112 1.153 -0.415 -20.277 855 HG3 GLU 112 1HG GLU 112 2.516 -1.393 -19.736 856 H HIS 113 H HIS 113 3.158 -4.447 -21.153 857 HA HIS 113 HA HIS 113 4.622 -5.376 -19.683 858 HD1 HIS 113 HD1 HIS 113 6.996 -4.666 -18.776 859 HD2 HIS 113 HD2 HIS 113 4.779 -3.783 -15.381 860 HE1 HIS 113 HE1 HIS 113 8.525 -5.119 -16.843 861 HE2 HIS 113 HE2 HIS 113 7.244 -4.325 -14.827 862 HB2 HIS 113 2HB HIS 113 4.767 -2.964 -19.020 863 HB3 HIS 113 1HB HIS 113 3.590 -3.280 -17.754 864 H HIS 114 H HIS 114 1.632 -6.163 -19.598 865 HA HIS 114 HA HIS 114 1.335 -7.207 -16.897 866 HD1 HIS 114 HD1 HIS 114 -0.262 -9.715 -19.831 867 HD2 HIS 114 HD2 HIS 114 -1.195 -5.744 -20.635 868 HE1 HIS 114 HE1 HIS 114 -0.912 -9.653 -22.251 869 HE2 HIS 114 HE2 HIS 114 -1.214 -7.212 -22.761 870 HB2 HIS 114 2HB HIS 114 -0.827 -8.085 -17.688 871 HB3 HIS 114 1HB HIS 114 -0.657 -6.372 -18.047 872 H HIS 115 H HIS 115 3.575 -8.138 -18.489 873 HA HIS 115 HA HIS 115 2.973 -10.857 -19.305 874 HD1 HIS 115 HD1 HIS 115 7.023 -11.674 -19.102 875 HD2 HIS 115 HD2 HIS 115 4.207 -11.543 -22.152 876 HE1 HIS 115 HE1 HIS 115 7.549 -13.621 -20.582 877 HE2 HIS 115 HE2 HIS 115 5.984 -13.385 -22.531 878 HB2 HIS 115 2HB HIS 115 4.596 -9.266 -20.473 879 HB3 HIS 115 1HB HIS 115 5.687 -9.533 -19.122 880 H HIS 116 H HIS 116 3.066 -9.680 -16.388 881 HA HIS 116 HA HIS 116 5.131 -11.068 -15.001 882 HD1 HIS 116 HD1 HIS 116 3.535 -7.856 -12.121 883 HD2 HIS 116 HD2 HIS 116 5.676 -8.650 -15.591 884 HE1 HIS 116 HE1 HIS 116 5.002 -5.856 -12.477 885 HE2 HIS 116 HE2 HIS 116 6.459 -6.486 -14.426 886 HB2 HIS 116 2HB HIS 116 2.556 -9.797 -14.042 887 HB3 HIS 116 1HB HIS 116 3.747 -10.503 -12.956 888 H HIS 117 H HIS 117 5.121 -13.018 -13.921 889 HA HIS 117 HA HIS 117 3.046 -14.935 -14.452 890 HD1 HIS 117 HD1 HIS 117 4.797 -17.818 -14.873 891 HD2 HIS 117 HD2 HIS 117 3.529 -16.988 -11.002 892 HE1 HIS 117 HE1 HIS 117 3.934 -19.988 -13.965 893 HE2 HIS 117 HE2 HIS 117 3.270 -19.494 -11.598 894 HB2 HIS 117 2HB HIS 117 5.480 -15.516 -14.111 895 HB3 HIS 117 1HB HIS 117 5.278 -15.135 -12.405 896 H HIS 118 H HIS 118 3.671 -12.580 -12.012 897 HA HIS 118 HA HIS 118 1.056 -12.969 -10.893 898 HD1 HIS 118 HD1 HIS 118 3.859 -11.699 -7.803 899 HD2 HIS 118 HD2 HIS 118 4.875 -15.223 -9.749 900 HE1 HIS 118 HE1 HIS 118 6.299 -12.037 -7.342 901 HE2 HIS 118 HE2 HIS 118 6.847 -14.260 -8.379 902 HB2 HIS 118 2HB HIS 118 1.824 -13.188 -8.523 903 HB3 HIS 118 1HB HIS 118 2.179 -14.596 -9.512 Start of MODEL 20 1 HA MET 1 HA MET 1 6.737 13.516 -3.334 2 H1 MET 1 1H MET 1 9.683 13.812 -3.470 3 H2 MET 1 2H MET 1 8.835 12.739 -2.476 4 H3 MET 1 3H MET 1 8.685 14.402 -2.243 5 HB2 MET 1 2HB MET 1 6.678 15.063 -5.247 6 HB3 MET 1 1HB MET 1 7.387 15.814 -3.824 7 HG2 MET 1 2HG MET 1 9.617 15.497 -4.746 8 HG3 MET 1 1HG MET 1 8.933 14.689 -6.156 9 HE1 MET 1 3HE MET 1 10.417 16.451 -7.613 10 HE2 MET 1 1HE MET 1 10.946 17.262 -6.140 11 HE3 MET 1 2HE MET 1 10.251 18.198 -7.462 12 H SER 2 H SER 2 9.637 12.169 -4.493 13 HA SER 2 HA SER 2 8.739 11.177 -7.007 14 HG SER 2 HG SER 2 12.169 11.206 -7.026 15 HB2 SER 2 2HB SER 2 10.949 10.189 -5.178 16 HB3 SER 2 1HB SER 2 10.686 9.619 -6.826 17 H GLY 3 H GLY 3 8.918 8.610 -7.287 18 HA2 GLY 3 2HA GLY 3 8.326 6.479 -6.217 19 HA3 GLY 3 1HA GLY 3 7.144 7.363 -5.265 20 H TRP 4 H TRP 4 6.228 5.180 -6.551 21 HA TRP 4 HA TRP 4 4.235 6.295 -8.278 22 HD1 TRP 4 HD1 TRP 4 5.171 2.356 -10.022 23 HE1 TRP 4 HE1 TRP 4 7.350 0.992 -9.973 24 HE3 TRP 4 HE3 TRP 4 8.488 6.150 -9.151 25 HZ2 TRP 4 HZ2 TRP 4 10.110 1.459 -9.613 26 HZ3 TRP 4 HZ3 TRP 4 10.879 5.607 -8.973 27 HH2 TRP 4 HH2 TRP 4 11.676 3.307 -9.198 28 HB2 TRP 4 2HB TRP 4 4.724 5.001 -10.298 29 HB3 TRP 4 1HB TRP 4 6.055 6.086 -9.915 30 H TYR 5 H TYR 5 2.605 4.754 -8.951 31 HA TYR 5 HA TYR 5 2.472 2.361 -7.222 32 HD1 TYR 5 HD1 TYR 5 1.134 6.011 -7.297 33 HD2 TYR 5 HD2 TYR 5 -0.105 2.485 -5.252 34 HE1 TYR 5 HE1 TYR 5 0.946 7.293 -5.208 35 HE2 TYR 5 HE2 TYR 5 -0.293 3.760 -3.160 36 HH TYR 5 HH TYR 5 -0.101 7.207 -3.073 37 HB2 TYR 5 2HB TYR 5 0.264 3.992 -8.515 38 HB3 TYR 5 1HB TYR 5 -0.003 2.498 -7.627 39 H GLU 6 H GLU 6 2.614 0.410 -8.199 40 HA GLU 6 HA GLU 6 2.178 0.231 -11.110 41 HB2 GLU 6 2HB GLU 6 3.658 -1.539 -9.158 42 HB3 GLU 6 1HB GLU 6 3.282 -2.063 -10.794 43 HG2 GLU 6 2HG GLU 6 4.608 -0.299 -11.733 44 HG3 GLU 6 1HG GLU 6 4.864 0.420 -10.146 45 H LEU 7 H LEU 7 0.230 -0.424 -11.744 46 HA LEU 7 HA LEU 7 -1.414 -2.121 -9.992 47 HG LEU 7 HG LEU 7 -3.630 -2.560 -12.063 48 HB2 LEU 7 2HB LEU 7 -2.424 -0.065 -10.858 49 HB3 LEU 7 1HB LEU 7 -2.105 -0.581 -12.504 50 HD11 LEU 7 1HD1 LEU 7 -5.224 -2.382 -10.232 51 HD12 LEU 7 2HD1 LEU 7 -4.403 -0.936 -9.639 52 HD13 LEU 7 3HD1 LEU 7 -3.573 -2.493 -9.622 53 HD21 LEU 7 3HD2 LEU 7 -4.341 -0.652 -13.386 54 HD22 LEU 7 1HD2 LEU 7 -4.826 0.211 -11.925 55 HD23 LEU 7 2HD2 LEU 7 -5.675 -1.259 -12.409 56 H SER 8 H SER 8 -1.713 -4.255 -10.421 57 HA SER 8 HA SER 8 -1.277 -5.226 -13.170 58 HG SER 8 HG SER 8 0.871 -4.677 -12.306 59 HB2 SER 8 2HB SER 8 -0.121 -6.503 -10.675 60 HB3 SER 8 1HB SER 8 -0.080 -7.219 -12.286 61 H LYS 9 H LYS 9 -2.241 -7.325 -13.638 62 HA LYS 9 HA LYS 9 -4.648 -7.814 -11.995 63 HB2 LYS 9 2HB LYS 9 -5.080 -6.963 -14.272 64 HB3 LYS 9 1HB LYS 9 -4.219 -8.339 -14.949 65 HG2 LYS 9 2HG LYS 9 -5.898 -9.861 -14.127 66 HG3 LYS 9 1HG LYS 9 -6.709 -8.556 -13.259 67 HD2 LYS 9 2HD LYS 9 -7.910 -9.042 -15.309 68 HD3 LYS 9 1HD LYS 9 -7.179 -7.440 -15.416 69 HE2 LYS 9 2HE LYS 9 -6.878 -8.599 -17.513 70 HE3 LYS 9 1HE LYS 9 -5.311 -8.425 -16.721 71 HZ1 LYS 9 3HZ LYS 9 -6.992 -10.873 -16.727 72 HZ2 LYS 9 1HZ LYS 9 -5.497 -10.711 -15.955 73 HZ3 LYS 9 2HZ LYS 9 -5.586 -10.630 -17.638 74 H SER 10 H SER 10 -4.748 -9.682 -10.941 75 HA SER 10 HA SER 10 -2.703 -11.674 -11.196 76 HG SER 10 HG SER 10 -3.625 -13.174 -8.332 77 HB2 SER 10 2HB SER 10 -3.577 -11.157 -9.002 78 HB3 SER 10 1HB SER 10 -5.212 -11.584 -9.503 79 H SER 11 H SER 11 -3.402 -14.065 -11.064 80 HA SER 11 HA SER 11 -4.277 -15.002 -13.509 81 HG SER 11 HG SER 11 -4.691 -18.242 -11.812 82 HB2 SER 11 2HB SER 11 -3.063 -16.442 -12.012 83 HB3 SER 11 1HB SER 11 -4.336 -16.350 -10.799 84 H ASN 12 H ASN 12 -6.223 -14.433 -10.609 85 HA ASN 12 HA ASN 12 -8.639 -15.501 -11.811 86 HB2 ASN 12 2HB ASN 12 -8.065 -15.718 -9.369 87 HB3 ASN 12 1HB ASN 12 -8.331 -13.986 -9.204 88 HD21 ASN 12 1HD2 ASN 12 -10.013 -14.288 -7.755 89 HD22 ASN 12 2HD2 ASN 12 -11.558 -14.877 -8.244 90 H ASP 13 H ASP 13 -7.189 -13.005 -12.850 91 HA ASP 13 HA ASP 13 -7.672 -11.036 -13.838 92 HB2 ASP 13 2HB ASP 13 -10.446 -12.195 -13.652 93 HB3 ASP 13 1HB ASP 13 -10.141 -10.638 -14.416 94 H GLN 14 H GLN 14 -7.920 -11.348 -10.757 95 HA GLN 14 HA GLN 14 -9.430 -8.965 -10.079 96 HB2 GLN 14 2HB GLN 14 -7.694 -10.793 -8.407 97 HB3 GLN 14 1HB GLN 14 -8.597 -9.424 -7.768 98 HG2 GLN 14 2HG GLN 14 -10.693 -10.473 -8.497 99 HG3 GLN 14 1HG GLN 14 -9.781 -11.849 -9.116 100 HE21 GLN 14 1HE2 GLN 14 -10.837 -10.175 -6.256 101 HE22 GLN 14 2HE2 GLN 14 -10.502 -11.456 -5.148 102 H PHE 15 H PHE 15 -8.495 -7.058 -9.182 103 HA PHE 15 HA PHE 15 -5.865 -6.513 -10.391 104 HD1 PHE 15 HD2 PHE 15 -9.819 -5.859 -10.753 105 HD2 PHE 15 HD1 PHE 15 -6.286 -4.637 -12.796 106 HE1 PHE 15 HE2 PHE 15 -10.911 -6.316 -12.908 107 HE2 PHE 15 HE1 PHE 15 -7.373 -5.101 -14.954 108 HZ PHE 15 HZ PHE 15 -9.688 -5.939 -15.012 109 HB2 PHE 15 2HB PHE 15 -8.063 -4.580 -9.613 110 HB3 PHE 15 1HB PHE 15 -6.569 -4.164 -10.450 111 H LYS 16 H LYS 16 -4.178 -5.756 -9.259 112 HA LYS 16 HA LYS 16 -4.533 -4.887 -6.466 113 HB2 LYS 16 2HB LYS 16 -2.590 -6.239 -5.773 114 HB3 LYS 16 1HB LYS 16 -3.892 -7.255 -6.381 115 HG2 LYS 16 2HG LYS 16 -2.741 -7.513 -8.505 116 HG3 LYS 16 1HG LYS 16 -1.463 -6.422 -7.967 117 HD2 LYS 16 2HD LYS 16 -0.890 -8.012 -6.165 118 HD3 LYS 16 1HD LYS 16 -2.145 -9.109 -6.753 119 HE2 LYS 16 2HE LYS 16 -0.982 -9.302 -8.896 120 HE3 LYS 16 1HE LYS 16 0.254 -8.177 -8.337 121 HZ1 LYS 16 3HZ LYS 16 1.017 -10.440 -8.139 122 HZ2 LYS 16 1HZ LYS 16 -0.319 -10.853 -7.187 123 HZ3 LYS 16 2HZ LYS 16 0.835 -9.771 -6.599 124 H PHE 17 H PHE 17 -2.763 -3.527 -5.686 125 HA PHE 17 HA PHE 17 -0.890 -2.607 -7.758 126 HD1 PHE 17 HD2 PHE 17 -4.654 -1.438 -6.350 127 HD2 PHE 17 HD1 PHE 17 -1.149 0.498 -4.889 128 HE1 PHE 17 HE2 PHE 17 -5.905 -0.664 -4.377 129 HE2 PHE 17 HE1 PHE 17 -2.394 1.276 -2.915 130 HZ PHE 17 HZ PHE 17 -4.777 0.696 -2.656 131 HB2 PHE 17 2HB PHE 17 -1.290 -0.253 -7.186 132 HB3 PHE 17 1HB PHE 17 -2.743 -1.025 -7.805 133 H VAL 18 H VAL 18 1.071 -1.787 -7.052 134 HA VAL 18 HA VAL 18 1.632 -2.029 -4.156 135 HB VAL 18 HB VAL 18 3.898 -2.787 -4.677 136 HG11 VAL 18 1HG1 VAL 18 2.163 -4.474 -4.345 137 HG12 VAL 18 2HG1 VAL 18 3.372 -5.031 -5.501 138 HG13 VAL 18 3HG1 VAL 18 1.803 -4.461 -6.074 139 HG21 VAL 18 3HG2 VAL 18 4.560 -3.395 -6.959 140 HG22 VAL 18 1HG2 VAL 18 4.202 -1.672 -6.837 141 HG23 VAL 18 2HG2 VAL 18 3.032 -2.765 -7.576 142 H LEU 19 H LEU 19 2.974 -0.487 -3.226 143 HA LEU 19 HA LEU 19 3.549 1.887 -4.874 144 HG LEU 19 HG LEU 19 4.751 3.368 -2.197 145 HB2 LEU 19 2HB LEU 19 2.026 2.371 -3.070 146 HB3 LEU 19 1HB LEU 19 3.077 1.590 -1.903 147 HD11 LEU 19 1HD1 LEU 19 2.742 4.647 -4.056 148 HD12 LEU 19 2HD1 LEU 19 4.292 3.952 -4.526 149 HD13 LEU 19 3HD1 LEU 19 4.244 5.375 -3.490 150 HD21 LEU 19 3HD2 LEU 19 3.088 3.624 -0.447 151 HD22 LEU 19 1HD2 LEU 19 1.975 4.392 -1.582 152 HD23 LEU 19 2HD2 LEU 19 3.483 5.195 -1.143 153 H LYS 20 H LYS 20 5.592 2.163 -5.431 154 HA LYS 20 HA LYS 20 7.739 1.107 -3.701 155 HB2 LYS 20 2HB LYS 20 7.737 1.836 -6.644 156 HB3 LYS 20 1HB LYS 20 9.177 1.362 -5.749 157 HG2 LYS 20 2HG LYS 20 8.235 -0.823 -5.302 158 HG3 LYS 20 1HG LYS 20 6.717 -0.358 -6.068 159 HD2 LYS 20 2HD LYS 20 7.828 -0.157 -8.223 160 HD3 LYS 20 1HD LYS 20 9.392 -0.503 -7.479 161 HE2 LYS 20 2HE LYS 20 8.695 -2.741 -6.922 162 HE3 LYS 20 1HE LYS 20 7.048 -2.408 -7.452 163 HZ1 LYS 20 3HZ LYS 20 9.419 -2.382 -9.239 164 HZ2 LYS 20 1HZ LYS 20 7.800 -2.219 -9.700 165 HZ3 LYS 20 2HZ LYS 20 8.355 -3.685 -9.074 166 H ALA 21 H ALA 21 9.242 2.430 -2.813 167 HA ALA 21 HA ALA 21 8.452 5.176 -2.495 168 HB1 ALA 21 3HB ALA 21 9.222 3.754 -0.642 169 HB2 ALA 21 1HB ALA 21 10.140 5.254 -0.780 170 HB3 ALA 21 2HB ALA 21 10.835 3.740 -1.353 171 H GLY 22 H GLY 22 9.368 4.730 -5.162 172 HA2 GLY 22 2HA GLY 22 10.454 6.106 -6.688 173 HA3 GLY 22 1HA GLY 22 11.221 6.939 -5.347 174 H ASN 23 H ASN 23 12.580 4.872 -4.120 175 HA ASN 23 HA ASN 23 14.824 4.530 -5.875 176 HB2 ASN 23 2HB ASN 23 15.888 3.478 -3.927 177 HB3 ASN 23 1HB ASN 23 15.106 4.991 -3.479 178 HD21 ASN 23 1HD2 ASN 23 15.797 2.846 -1.732 179 HD22 ASN 23 2HD2 ASN 23 14.329 2.279 -1.024 180 H GLY 24 H GLY 24 12.006 2.775 -5.447 181 HA2 GLY 24 2HA GLY 24 11.602 0.923 -6.964 182 HA3 GLY 24 1HA GLY 24 13.240 0.375 -6.657 183 H GLU 25 H GLU 25 12.697 1.042 -3.690 184 HA GLU 25 HA GLU 25 12.035 -1.619 -2.933 185 HB2 GLU 25 2HB GLU 25 13.581 -0.234 -1.628 186 HB3 GLU 25 1HB GLU 25 12.276 0.878 -1.234 187 HG2 GLU 25 2HG GLU 25 11.163 -0.798 0.081 188 HG3 GLU 25 1HG GLU 25 12.309 -2.031 -0.442 189 H VAL 26 H VAL 26 10.113 -2.525 -2.599 190 HA VAL 26 HA VAL 26 7.681 -1.002 -2.806 191 HB VAL 26 HB VAL 26 7.993 -3.929 -2.079 192 HG11 VAL 26 1HG1 VAL 26 5.691 -4.140 -2.917 193 HG12 VAL 26 2HG1 VAL 26 5.636 -2.399 -3.202 194 HG13 VAL 26 3HG1 VAL 26 5.783 -3.020 -1.557 195 HG21 VAL 26 3HG2 VAL 26 9.103 -3.472 -4.203 196 HG22 VAL 26 1HG2 VAL 26 7.658 -2.660 -4.806 197 HG23 VAL 26 2HG2 VAL 26 7.621 -4.392 -4.468 198 H ILE 27 H ILE 27 6.780 0.055 -1.158 199 HA ILE 27 HA ILE 27 7.318 -0.835 1.597 200 HB ILE 27 HB ILE 27 6.456 1.427 2.265 201 HG12 ILE 27 2HG1 ILE 27 6.570 1.947 -0.727 202 HG13 ILE 27 1HG1 ILE 27 5.114 1.919 0.263 203 HG21 ILE 27 1HG2 ILE 27 8.504 2.616 1.601 204 HG22 ILE 27 2HG2 ILE 27 8.836 1.366 0.401 205 HG23 ILE 27 3HG2 ILE 27 8.840 0.963 2.119 206 HD11 ILE 27 3HD1 ILE 27 5.842 4.194 -0.256 207 HD12 ILE 27 1HD1 ILE 27 7.379 3.885 0.550 208 HD13 ILE 27 2HD1 ILE 27 5.878 3.880 1.479 209 H LEU 28 H LEU 28 4.637 -0.119 -0.608 210 HA LEU 28 HA LEU 28 2.822 -1.428 1.324 211 HG LEU 28 HG LEU 28 1.070 1.807 1.671 212 HB2 LEU 28 2HB LEU 28 2.329 1.028 -0.333 213 HB3 LEU 28 1HB LEU 28 0.990 -0.002 0.119 214 HD11 LEU 28 1HD1 LEU 28 2.226 -0.651 2.986 215 HD12 LEU 28 2HD1 LEU 28 0.522 -0.371 2.624 216 HD13 LEU 28 3HD1 LEU 28 1.352 0.651 3.796 217 HD21 LEU 28 3HD2 LEU 28 3.943 1.083 2.210 218 HD22 LEU 28 1HD2 LEU 28 3.011 2.341 3.015 219 HD23 LEU 28 2HD2 LEU 28 3.387 2.487 1.299 220 H THR 29 H THR 29 1.361 -2.873 0.553 221 HA THR 29 HA THR 29 0.959 -3.194 -2.335 222 HB THR 29 HB THR 29 1.745 -5.489 -0.507 223 HG1 THR 29 HG1 THR 29 3.450 -4.093 -1.445 224 HG21 THR 29 3HG2 THR 29 -0.013 -6.176 -2.073 225 HG22 THR 29 1HG2 THR 29 1.530 -6.920 -2.493 226 HG23 THR 29 2HG2 THR 29 0.933 -5.546 -3.422 227 H SER 30 H SER 30 -1.189 -3.417 -2.741 228 HA SER 30 HA SER 30 -2.964 -4.112 -0.496 229 HG SER 30 HG SER 30 -5.623 -2.384 -1.933 230 HB2 SER 30 2HB SER 30 -3.421 -2.017 -1.789 231 HB3 SER 30 1HB SER 30 -3.742 -3.011 -3.207 232 H GLU 31 H GLU 31 -4.848 -5.537 -0.956 233 HA GLU 31 HA GLU 31 -3.874 -7.907 -2.333 234 HB2 GLU 31 2HB GLU 31 -6.247 -7.471 -0.512 235 HB3 GLU 31 1HB GLU 31 -5.848 -9.019 -1.249 236 HG2 GLU 31 2HG GLU 31 -3.609 -8.884 -0.139 237 HG3 GLU 31 1HG GLU 31 -4.180 -7.453 0.715 238 H LEU 32 H LEU 32 -6.275 -9.183 -2.998 239 HA LEU 32 HA LEU 32 -6.463 -8.111 -5.658 240 HG LEU 32 HG LEU 32 -5.341 -10.842 -4.508 241 HB2 LEU 32 2HB LEU 32 -7.750 -10.532 -4.402 242 HB3 LEU 32 1HB LEU 32 -7.808 -10.145 -6.111 243 HD11 LEU 32 1HD1 LEU 32 -6.774 -12.309 -6.728 244 HD12 LEU 32 2HD1 LEU 32 -6.752 -12.760 -5.023 245 HD13 LEU 32 3HD1 LEU 32 -5.264 -12.810 -5.966 246 HD21 LEU 32 3HD2 LEU 32 -4.776 -9.159 -6.165 247 HD22 LEU 32 1HD2 LEU 32 -5.600 -10.085 -7.421 248 HD23 LEU 32 2HD2 LEU 32 -4.147 -10.729 -6.659 249 H TYR 33 H TYR 33 -7.781 -6.449 -6.062 250 HA TYR 33 HA TYR 33 -10.445 -6.238 -4.926 251 HD1 TYR 33 HD2 TYR 33 -7.049 -4.476 -5.535 252 HD2 TYR 33 HD1 TYR 33 -10.899 -3.018 -4.437 253 HE1 TYR 33 HE2 TYR 33 -6.025 -3.106 -3.779 254 HE2 TYR 33 HE1 TYR 33 -9.876 -1.644 -2.672 255 HH TYR 33 HH TYR 33 -7.849 -1.584 -1.329 256 HB2 TYR 33 2HB TYR 33 -9.043 -4.623 -7.078 257 HB3 TYR 33 1HB TYR 33 -10.643 -4.256 -6.445 258 H THR 34 H THR 34 -12.413 -6.384 -6.144 259 HA THR 34 HA THR 34 -12.315 -8.296 -8.337 260 HB THR 34 HB THR 34 -14.783 -8.299 -8.187 261 HG1 THR 34 HG1 THR 34 -15.680 -6.582 -7.352 262 HG21 THR 34 3HG2 THR 34 -14.969 -9.236 -5.907 263 HG22 THR 34 1HG2 THR 34 -13.377 -8.578 -5.521 264 HG23 THR 34 2HG2 THR 34 -13.539 -9.831 -6.752 265 H GLY 35 H GLY 35 -11.873 -5.079 -8.321 266 HA2 GLY 35 2HA GLY 35 -12.738 -4.796 -11.081 267 HA3 GLY 35 1HA GLY 35 -13.545 -3.731 -9.944 268 H LYS 36 H LYS 36 -11.613 -3.239 -12.231 269 HA LYS 36 HA LYS 36 -9.139 -2.404 -11.093 270 HB2 LYS 36 2HB LYS 36 -9.382 -3.032 -13.469 271 HB3 LYS 36 1HB LYS 36 -10.371 -1.604 -13.740 272 HG2 LYS 36 2HG LYS 36 -8.573 -0.157 -13.573 273 HG3 LYS 36 1HG LYS 36 -7.619 -1.288 -12.614 274 HD2 LYS 36 2HD LYS 36 -6.679 -1.087 -14.846 275 HD3 LYS 36 1HD LYS 36 -7.319 -2.711 -14.603 276 HE2 LYS 36 2HE LYS 36 -7.905 -1.942 -16.813 277 HE3 LYS 36 1HE LYS 36 -9.366 -2.045 -15.833 278 HZ1 LYS 36 3HZ LYS 36 -9.372 0.306 -15.553 279 HZ2 LYS 36 1HZ LYS 36 -9.197 -0.004 -17.205 280 HZ3 LYS 36 2HZ LYS 36 -7.859 0.471 -16.288 281 H SER 37 H SER 37 -12.170 -0.713 -11.791 282 HA SER 37 HA SER 37 -11.300 1.910 -11.213 283 HG SER 37 HG SER 37 -14.270 3.207 -11.399 284 HB2 SER 37 2HB SER 37 -13.487 1.459 -12.255 285 HB3 SER 37 1HB SER 37 -14.050 0.705 -10.765 286 H GLY 38 H GLY 38 -12.620 -0.638 -9.115 287 HA2 GLY 38 2HA GLY 38 -12.542 0.785 -6.685 288 HA3 GLY 38 1HA GLY 38 -12.462 -0.964 -6.843 289 H ALA 39 H ALA 39 -10.063 -1.202 -8.278 290 HA ALA 39 HA ALA 39 -8.097 -1.086 -6.271 291 HB1 ALA 39 3HB ALA 39 -7.989 -2.638 -8.167 292 HB2 ALA 39 1HB ALA 39 -6.508 -1.688 -8.032 293 HB3 ALA 39 2HB ALA 39 -7.706 -1.284 -9.263 294 H MET 40 H MET 40 -8.544 1.017 -9.144 295 HA MET 40 HA MET 40 -6.468 2.825 -8.547 296 HB2 MET 40 2HB MET 40 -9.044 3.288 -10.068 297 HB3 MET 40 1HB MET 40 -7.697 4.420 -10.029 298 HG2 MET 40 2HG MET 40 -6.255 2.671 -11.033 299 HG3 MET 40 1HG MET 40 -7.669 1.626 -11.157 300 HE1 MET 40 3HE MET 40 -9.784 2.180 -12.694 301 HE2 MET 40 1HE MET 40 -9.912 3.637 -13.681 302 HE3 MET 40 2HE MET 40 -9.938 3.759 -11.922 303 H ASN 41 H ASN 41 -9.929 2.941 -7.720 304 HA ASN 41 HA ASN 41 -10.016 5.265 -6.219 305 HB2 ASN 41 2HB ASN 41 -12.018 3.994 -6.729 306 HB3 ASN 41 1HB ASN 41 -11.449 2.633 -5.775 307 HD21 ASN 41 1HD2 ASN 41 -11.650 2.695 -3.563 308 HD22 ASN 41 2HD2 ASN 41 -12.551 3.911 -2.735 309 H GLY 42 H GLY 42 -8.895 2.042 -5.259 310 HA2 GLY 42 2HA GLY 42 -8.272 2.591 -2.569 311 HA3 GLY 42 1HA GLY 42 -7.480 1.386 -3.572 312 H ILE 43 H ILE 43 -6.363 3.050 -5.536 313 HA ILE 43 HA ILE 43 -3.957 3.877 -4.314 314 HB ILE 43 HB ILE 43 -5.059 4.659 -7.029 315 HG12 ILE 43 2HG1 ILE 43 -3.140 2.443 -6.239 316 HG13 ILE 43 1HG1 ILE 43 -4.817 2.223 -6.726 317 HG21 ILE 43 1HG2 ILE 43 -3.306 6.202 -6.328 318 HG22 ILE 43 2HG2 ILE 43 -2.726 5.163 -7.630 319 HG23 ILE 43 3HG2 ILE 43 -2.233 4.849 -5.964 320 HD11 ILE 43 3HD1 ILE 43 -2.603 3.305 -8.454 321 HD12 ILE 43 1HD1 ILE 43 -4.287 3.098 -8.941 322 HD13 ILE 43 2HD1 ILE 43 -3.308 1.688 -8.536 323 H GLU 44 H GLU 44 -6.686 5.802 -5.594 324 HA GLU 44 HA GLU 44 -5.820 8.356 -4.919 325 HB2 GLU 44 2HB GLU 44 -8.646 7.271 -4.745 326 HB3 GLU 44 1HB GLU 44 -8.214 8.974 -4.764 327 HG2 GLU 44 2HG GLU 44 -7.226 8.640 -7.020 328 HG3 GLU 44 1HG GLU 44 -7.836 6.984 -6.994 329 H SER 45 H SER 45 -7.594 6.021 -2.929 330 HA SER 45 HA SER 45 -7.837 7.556 -0.597 331 HG SER 45 HG SER 45 -9.398 5.062 -1.938 332 HB2 SER 45 2HB SER 45 -7.588 4.541 -0.863 333 HB3 SER 45 1HB SER 45 -8.164 5.392 0.571 334 H VAL 46 H VAL 46 -5.232 5.344 -1.627 335 HA VAL 46 HA VAL 46 -3.633 5.625 0.688 336 HB VAL 46 HB VAL 46 -2.748 5.006 -2.145 337 HG11 VAL 46 1HG1 VAL 46 -0.856 5.727 -0.789 338 HG12 VAL 46 2HG1 VAL 46 -0.761 3.994 -1.096 339 HG13 VAL 46 3HG1 VAL 46 -1.301 4.582 0.477 340 HG21 VAL 46 3HG2 VAL 46 -4.407 3.417 -1.300 341 HG22 VAL 46 1HG2 VAL 46 -3.431 3.152 0.145 342 HG23 VAL 46 2HG2 VAL 46 -2.821 2.661 -1.436 343 H GLN 47 H GLN 47 -3.684 7.456 -2.362 344 HA GLN 47 HA GLN 47 -1.492 9.136 -1.862 345 HB2 GLN 47 2HB GLN 47 -3.998 9.629 -3.485 346 HB3 GLN 47 1HB GLN 47 -2.595 10.688 -3.505 347 HG2 GLN 47 2HG GLN 47 -1.219 8.914 -4.417 348 HG3 GLN 47 1HG GLN 47 -2.561 7.778 -4.299 349 HE21 GLN 47 1HE2 GLN 47 -1.002 8.685 -6.627 350 HE22 GLN 47 2HE2 GLN 47 -2.168 9.286 -7.747 351 H THR 48 H THR 48 -4.877 9.429 -0.897 352 HA THR 48 HA THR 48 -4.525 12.058 0.257 353 HB THR 48 HB THR 48 -6.851 10.123 0.463 354 HG1 THR 48 HG1 THR 48 -7.329 10.911 -1.438 355 HG21 THR 48 3HG2 THR 48 -6.693 13.030 1.292 356 HG22 THR 48 1HG2 THR 48 -6.841 11.651 2.380 357 HG23 THR 48 2HG2 THR 48 -8.157 12.046 1.275 358 H ASN 49 H ASN 49 -4.697 8.747 1.499 359 HA ASN 49 HA ASN 49 -4.759 9.600 4.259 360 HB2 ASN 49 2HB ASN 49 -4.492 6.840 3.053 361 HB3 ASN 49 1HB ASN 49 -4.675 7.169 4.775 362 HD21 ASN 49 1HD2 ASN 49 -6.396 5.658 3.034 363 HD22 ASN 49 2HD2 ASN 49 -7.946 6.409 3.091 364 H SER 50 H SER 50 -2.238 8.563 2.032 365 HA SER 50 HA SER 50 -0.331 7.683 3.861 366 HG SER 50 HG SER 50 -0.548 8.823 0.257 367 HB2 SER 50 2HB SER 50 1.393 8.293 2.129 368 HB3 SER 50 1HB SER 50 0.077 7.279 1.545 369 HA PRO 51 HA PRO 51 1.200 12.193 4.579 370 HB2 PRO 51 2HB PRO 51 -0.406 14.258 3.916 371 HB3 PRO 51 1HB PRO 51 0.734 13.556 2.761 372 HG2 PRO 51 2HG PRO 51 -2.215 13.060 3.048 373 HG3 PRO 51 1HG PRO 51 -1.272 13.357 1.573 374 HD2 PRO 51 2HD PRO 51 -2.001 10.862 2.373 375 HD3 PRO 51 1HD PRO 51 -0.504 11.182 1.474 376 H ILE 52 H ILE 52 -1.871 10.874 5.140 377 HA ILE 52 HA ILE 52 -2.255 12.439 7.612 378 HB ILE 52 HB ILE 52 -4.232 10.625 6.199 379 HG12 ILE 52 2HG1 ILE 52 -4.101 13.652 6.369 380 HG13 ILE 52 1HG1 ILE 52 -3.779 12.686 4.934 381 HG21 ILE 52 1HG2 ILE 52 -5.882 11.575 7.774 382 HG22 ILE 52 2HG2 ILE 52 -4.580 12.431 8.600 383 HG23 ILE 52 3HG2 ILE 52 -4.616 10.667 8.602 384 HD11 ILE 52 3HD1 ILE 52 -6.097 11.936 4.914 385 HD12 ILE 52 1HD1 ILE 52 -5.984 13.693 4.856 386 HD13 ILE 52 2HD1 ILE 52 -6.421 12.889 6.362 387 H GLU 53 H GLU 53 -0.636 11.326 8.777 388 HA GLU 53 HA GLU 53 -0.387 8.526 8.921 389 HB2 GLU 53 2HB GLU 53 1.340 10.290 9.513 390 HB3 GLU 53 1HB GLU 53 0.501 10.498 11.037 391 HG2 GLU 53 2HG GLU 53 1.363 7.746 10.304 392 HG3 GLU 53 1HG GLU 53 2.611 8.903 10.754 393 H ALA 54 H ALA 54 -2.707 10.591 10.339 394 HA ALA 54 HA ALA 54 -3.410 9.196 12.672 395 HB1 ALA 54 3HB ALA 54 -5.583 10.293 12.475 396 HB2 ALA 54 1HB ALA 54 -5.222 10.724 10.803 397 HB3 ALA 54 2HB ALA 54 -4.272 11.417 12.115 398 H ARG 55 H ARG 55 -3.649 8.164 9.430 399 HA ARG 55 HA ARG 55 -5.704 6.142 10.030 400 HE ARG 55 HE ARG 55 -8.359 9.166 8.043 401 HB2 ARG 55 2HB ARG 55 -4.355 6.904 7.424 402 HB3 ARG 55 1HB ARG 55 -5.583 5.653 7.583 403 HG2 ARG 55 2HG ARG 55 -5.979 8.582 8.206 404 HG3 ARG 55 1HG ARG 55 -6.500 7.766 6.730 405 HD2 ARG 55 2HD ARG 55 -8.016 6.364 7.984 406 HD3 ARG 55 1HD ARG 55 -7.415 7.011 9.510 407 HH11 ARG 55 1HH1 ARG 55 -9.632 6.288 9.426 408 HH12 ARG 55 2HH1 ARG 55 -11.178 6.985 9.746 409 HH21 ARG 55 1HH2 ARG 55 -10.357 10.054 8.427 410 HH22 ARG 55 2HH2 ARG 55 -11.595 9.091 9.155 411 H TYR 56 H TYR 56 -2.848 6.214 11.013 412 HA TYR 56 HA TYR 56 -1.266 4.225 9.838 413 HD1 TYR 56 HD1 TYR 56 -2.603 6.843 12.611 414 HD2 TYR 56 HD2 TYR 56 -0.573 3.407 14.086 415 HE1 TYR 56 HE1 TYR 56 -3.697 7.145 14.782 416 HE2 TYR 56 HE2 TYR 56 -1.666 3.702 16.273 417 HH TYR 56 HH TYR 56 -4.330 5.714 16.719 418 HB2 TYR 56 2HB TYR 56 -0.030 4.224 11.940 419 HB3 TYR 56 1HB TYR 56 -0.463 5.875 11.507 420 H ALA 57 H ALA 57 -0.684 2.126 10.706 421 HA ALA 57 HA ALA 57 -2.201 0.849 12.769 422 HB1 ALA 57 3HB ALA 57 -3.810 0.574 10.947 423 HB2 ALA 57 1HB ALA 57 -3.127 -0.984 11.415 424 HB3 ALA 57 2HB ALA 57 -2.569 -0.180 9.946 425 H LYS 58 H LYS 58 -0.467 -0.010 13.827 426 HA LYS 58 HA LYS 58 1.707 -1.216 12.250 427 HB2 LYS 58 2HB LYS 58 1.587 -0.378 15.158 428 HB3 LYS 58 1HB LYS 58 2.948 -1.232 14.448 429 HG2 LYS 58 2HG LYS 58 3.595 1.011 14.451 430 HG3 LYS 58 1HG LYS 58 3.093 0.707 12.788 431 HD2 LYS 58 2HD LYS 58 0.874 1.702 13.337 432 HD3 LYS 58 1HD LYS 58 1.492 2.097 14.943 433 HE2 LYS 58 2HE LYS 58 2.529 3.129 12.300 434 HE3 LYS 58 1HE LYS 58 1.631 4.043 13.508 435 HZ1 LYS 58 3HZ LYS 58 3.486 3.728 15.047 436 HZ2 LYS 58 1HZ LYS 58 3.973 4.526 13.640 437 HZ3 LYS 58 2HZ LYS 58 4.352 2.894 13.857 438 H GLU 59 H GLU 59 1.507 -3.319 11.869 439 HA GLU 59 HA GLU 59 0.075 -5.018 13.823 440 HB2 GLU 59 2HB GLU 59 0.324 -5.440 10.834 441 HB3 GLU 59 1HB GLU 59 -0.669 -6.368 11.945 442 HG2 GLU 59 2HG GLU 59 -1.061 -3.441 11.349 443 HG3 GLU 59 1HG GLU 59 -1.933 -4.749 10.554 444 H VAL 60 H VAL 60 1.165 -6.717 14.676 445 HA VAL 60 HA VAL 60 3.765 -7.446 13.476 446 HB VAL 60 HB VAL 60 2.790 -7.974 16.295 447 HG11 VAL 60 1HG1 VAL 60 5.518 -8.362 15.049 448 HG12 VAL 60 2HG1 VAL 60 4.400 -9.643 15.517 449 HG13 VAL 60 3HG1 VAL 60 5.117 -8.607 16.750 450 HG21 VAL 60 3HG2 VAL 60 4.398 -6.238 16.973 451 HG22 VAL 60 1HG2 VAL 60 3.137 -5.586 15.925 452 HG23 VAL 60 2HG2 VAL 60 4.745 -5.904 15.278 453 H ALA 61 H ALA 61 3.628 -9.196 12.200 454 HA ALA 61 HA ALA 61 1.619 -11.173 12.332 455 HB1 ALA 61 3HB ALA 61 2.941 -12.404 10.719 456 HB2 ALA 61 1HB ALA 61 4.352 -11.411 11.076 457 HB3 ALA 61 2HB ALA 61 2.940 -10.690 10.307 458 H LYS 62 H LYS 62 1.604 -13.246 13.147 459 HA LYS 62 HA LYS 62 2.571 -13.681 15.665 460 HB2 LYS 62 2HB LYS 62 1.883 -15.998 15.451 461 HB3 LYS 62 1HB LYS 62 0.712 -14.932 14.694 462 HG2 LYS 62 2HG LYS 62 2.817 -16.484 13.187 463 HG3 LYS 62 1HG LYS 62 1.161 -17.032 13.438 464 HD2 LYS 62 2HD LYS 62 0.396 -14.920 12.291 465 HD3 LYS 62 1HD LYS 62 2.083 -14.609 11.885 466 HE2 LYS 62 2HE LYS 62 0.999 -15.661 10.006 467 HE3 LYS 62 1HE LYS 62 2.160 -16.787 10.706 468 HZ1 LYS 62 3HZ LYS 62 0.364 -17.933 11.807 469 HZ2 LYS 62 1HZ LYS 62 0.046 -17.851 10.150 470 HZ3 LYS 62 2HZ LYS 62 -0.767 -16.823 11.216 471 H ASN 63 H ASN 63 4.476 -14.025 12.822 472 HA ASN 63 HA ASN 63 6.444 -15.718 14.187 473 HB2 ASN 63 2HB ASN 63 6.526 -14.559 11.389 474 HB3 ASN 63 1HB ASN 63 7.651 -15.739 12.056 475 HD21 ASN 63 1HD2 ASN 63 6.265 -16.202 9.723 476 HD22 ASN 63 2HD2 ASN 63 5.133 -17.486 9.988 477 H ASP 64 H ASP 64 5.827 -12.890 15.005 478 HA ASP 64 HA ASP 64 6.903 -11.037 15.754 479 HB2 ASP 64 2HB ASP 64 9.367 -12.755 15.351 480 HB3 ASP 64 1HB ASP 64 9.348 -11.220 16.214 481 H LYS 65 H LYS 65 6.168 -10.969 13.116 482 HA LYS 65 HA LYS 65 8.339 -9.435 11.818 483 HB2 LYS 65 2HB LYS 65 5.923 -10.773 10.561 484 HB3 LYS 65 1HB LYS 65 7.120 -9.823 9.689 485 HG2 LYS 65 2HG LYS 65 8.817 -11.423 10.070 486 HG3 LYS 65 1HG LYS 65 7.857 -12.263 11.285 487 HD2 LYS 65 2HD LYS 65 7.882 -13.568 9.261 488 HD3 LYS 65 1HD LYS 65 6.260 -12.931 9.505 489 HE2 LYS 65 2HE LYS 65 8.235 -11.511 7.745 490 HE3 LYS 65 1HE LYS 65 7.294 -12.869 7.135 491 HZ1 LYS 65 3HZ LYS 65 5.280 -11.601 7.892 492 HZ2 LYS 65 1HZ LYS 65 6.112 -10.933 6.583 493 HZ3 LYS 65 2HZ LYS 65 6.283 -10.263 8.122 494 HA PRO 66 HA PRO 66 5.297 -6.245 13.085 495 HB2 PRO 66 2HB PRO 66 7.065 -4.283 13.630 496 HB3 PRO 66 1HB PRO 66 6.786 -5.626 14.748 497 HG2 PRO 66 2HG PRO 66 9.010 -5.235 12.773 498 HG3 PRO 66 1HG PRO 66 9.092 -5.824 14.444 499 HD2 PRO 66 2HD PRO 66 9.114 -7.465 12.243 500 HD3 PRO 66 1HD PRO 66 8.530 -7.968 13.842 501 H TYR 67 H TYR 67 4.337 -5.900 11.087 502 HA TYR 67 HA TYR 67 5.673 -3.967 9.298 503 HD1 TYR 67 HD2 TYR 67 3.990 -7.716 9.771 504 HD2 TYR 67 HD1 TYR 67 1.836 -4.820 7.504 505 HE1 TYR 67 HE2 TYR 67 1.914 -8.987 10.125 506 HE2 TYR 67 HE1 TYR 67 -0.241 -6.086 7.854 507 HH TYR 67 HH TYR 67 -0.515 -8.585 10.136 508 HB2 TYR 67 2HB TYR 67 4.221 -4.790 7.505 509 HB3 TYR 67 1HB TYR 67 5.144 -6.111 8.209 510 H PHE 68 H PHE 68 3.713 -2.787 7.965 511 HA PHE 68 HA PHE 68 1.681 -1.948 9.922 512 HD1 PHE 68 HD2 PHE 68 5.368 -0.592 8.405 513 HD2 PHE 68 HD1 PHE 68 1.712 1.058 6.961 514 HE1 PHE 68 HE2 PHE 68 6.518 0.188 6.373 515 HE2 PHE 68 HE1 PHE 68 2.863 1.836 4.934 516 HZ PHE 68 HZ PHE 68 5.264 1.402 4.636 517 HB2 PHE 68 2HB PHE 68 1.932 0.390 9.269 518 HB3 PHE 68 1HB PHE 68 3.447 -0.245 9.895 519 H ASN 69 H ASN 69 -0.297 -1.291 9.114 520 HA ASN 69 HA ASN 69 -0.789 -1.770 6.243 521 HB2 ASN 69 2HB ASN 69 -2.610 -2.185 8.632 522 HB3 ASN 69 1HB ASN 69 -3.174 -2.227 6.966 523 HD21 ASN 69 1HD2 ASN 69 -3.176 -4.312 9.012 524 HD22 ASN 69 2HD2 ASN 69 -2.300 -5.635 8.334 525 H LEU 70 H LEU 70 -2.220 -0.351 5.174 526 HA LEU 70 HA LEU 70 -2.747 2.192 6.573 527 HG LEU 70 HG LEU 70 -3.877 3.670 4.042 528 HB2 LEU 70 2HB LEU 70 -1.204 2.375 4.646 529 HB3 LEU 70 1HB LEU 70 -2.447 1.708 3.601 530 HD11 LEU 70 1HD1 LEU 70 -1.529 4.728 5.621 531 HD12 LEU 70 2HD1 LEU 70 -3.078 4.218 6.291 532 HD13 LEU 70 3HD1 LEU 70 -3.000 5.617 5.225 533 HD21 LEU 70 3HD2 LEU 70 -1.092 4.363 3.099 534 HD22 LEU 70 1HD2 LEU 70 -2.544 5.325 2.808 535 HD23 LEU 70 2HD2 LEU 70 -2.401 3.711 2.110 536 H LYS 71 H LYS 71 -4.802 2.759 6.890 537 HA LYS 71 HA LYS 71 -6.916 1.215 5.515 538 HB2 LYS 71 2HB LYS 71 -6.879 2.442 8.280 539 HB3 LYS 71 1HB LYS 71 -8.326 1.788 7.526 540 HG2 LYS 71 2HG LYS 71 -7.318 -0.427 7.451 541 HG3 LYS 71 1HG LYS 71 -5.821 0.216 8.136 542 HD2 LYS 71 2HD LYS 71 -7.043 0.870 10.169 543 HD3 LYS 71 1HD LYS 71 -8.529 0.215 9.482 544 HE2 LYS 71 2HE LYS 71 -6.047 -1.438 9.940 545 HE3 LYS 71 1HE LYS 71 -7.331 -1.272 11.134 546 HZ1 LYS 71 3HZ LYS 71 -8.886 -2.211 9.529 547 HZ2 LYS 71 1HZ LYS 71 -7.612 -3.277 9.837 548 HZ3 LYS 71 2HZ LYS 71 -7.647 -2.390 8.399 549 H ALA 72 H ALA 72 -8.696 2.248 4.698 550 HA ALA 72 HA ALA 72 -8.574 5.135 4.339 551 HB1 ALA 72 3HB ALA 72 -9.179 3.703 2.445 552 HB2 ALA 72 1HB ALA 72 -10.477 4.830 2.841 553 HB3 ALA 72 2HB ALA 72 -10.600 3.137 3.323 554 H ALA 73 H ALA 73 -10.945 6.201 4.472 555 HA ALA 73 HA ALA 73 -11.568 6.599 7.128 556 HB1 ALA 73 3HB ALA 73 -13.467 6.917 4.806 557 HB2 ALA 73 1HB ALA 73 -12.250 8.094 5.302 558 HB3 ALA 73 2HB ALA 73 -13.595 7.707 6.377 559 H ASN 74 H ASN 74 -13.099 4.273 4.920 560 HA ASN 74 HA ASN 74 -15.029 3.362 6.845 561 HB2 ASN 74 2HB ASN 74 -15.293 3.301 4.328 562 HB3 ASN 74 1HB ASN 74 -14.154 1.959 4.308 563 HD21 ASN 74 1HD2 ASN 74 -14.808 -0.038 5.107 564 HD22 ASN 74 2HD2 ASN 74 -16.464 -0.411 5.409 565 H HIS 75 H HIS 75 -11.864 3.090 7.043 566 HA HIS 75 HA HIS 75 -10.477 1.880 8.379 567 HD1 HIS 75 HD1 HIS 75 -10.976 2.033 11.713 568 HD2 HIS 75 HD2 HIS 75 -14.365 2.797 9.432 569 HE1 HIS 75 HE1 HIS 75 -12.112 3.976 12.824 570 HE2 HIS 75 HE2 HIS 75 -14.062 4.521 11.330 571 HB2 HIS 75 2HB HIS 75 -12.957 0.306 9.125 572 HB3 HIS 75 1HB HIS 75 -11.413 0.245 9.971 573 H GLN 76 H GLN 76 -11.260 1.069 5.593 574 HA GLN 76 HA GLN 76 -10.952 -1.817 5.527 575 HB2 GLN 76 2HB GLN 76 -11.301 -1.592 3.143 576 HB3 GLN 76 1HB GLN 76 -12.476 -0.589 3.987 577 HG2 GLN 76 2HG GLN 76 -10.764 1.320 3.625 578 HG3 GLN 76 1HG GLN 76 -10.068 0.247 2.412 579 HE21 GLN 76 1HE2 GLN 76 -12.707 2.296 3.243 580 HE22 GLN 76 2HE2 GLN 76 -13.486 2.267 1.700 581 H ILE 77 H ILE 77 -9.150 -2.950 4.740 582 HA ILE 77 HA ILE 77 -6.599 -1.649 4.922 583 HB ILE 77 HB ILE 77 -7.332 -4.444 4.016 584 HG12 ILE 77 2HG1 ILE 77 -7.801 -3.961 6.383 585 HG13 ILE 77 1HG1 ILE 77 -6.487 -5.121 6.219 586 HG21 ILE 77 1HG2 ILE 77 -4.956 -4.997 4.228 587 HG22 ILE 77 2HG2 ILE 77 -4.587 -3.308 4.574 588 HG23 ILE 77 3HG2 ILE 77 -5.219 -3.766 2.994 589 HD11 ILE 77 3HD1 ILE 77 -6.201 -2.184 6.822 590 HD12 ILE 77 1HD1 ILE 77 -4.872 -3.330 6.640 591 HD13 ILE 77 2HD1 ILE 77 -6.021 -3.514 7.965 592 H ILE 78 H ILE 78 -6.212 -0.155 3.354 593 HA ILE 78 HA ILE 78 -6.503 -0.937 0.535 594 HB ILE 78 HB ILE 78 -5.960 1.422 0.010 595 HG12 ILE 78 2HG1 ILE 78 -5.967 1.775 3.024 596 HG13 ILE 78 1HG1 ILE 78 -4.569 1.942 1.969 597 HG21 ILE 78 1HG2 ILE 78 -8.285 0.725 0.251 598 HG22 ILE 78 2HG2 ILE 78 -8.069 2.385 0.802 599 HG23 ILE 78 3HG2 ILE 78 -8.228 1.080 1.979 600 HD11 ILE 78 3HD1 ILE 78 -5.381 4.112 2.578 601 HD12 ILE 78 1HD1 ILE 78 -7.006 3.704 2.031 602 HD13 ILE 78 2HD1 ILE 78 -5.694 3.850 0.862 603 H GLY 79 H GLY 79 -4.119 -0.753 2.985 604 HA2 GLY 79 2HA GLY 79 -2.100 -1.512 0.988 605 HA3 GLY 79 1HA GLY 79 -1.738 -0.138 2.018 606 H THR 80 H THR 80 -0.680 -3.024 1.665 607 HA THR 80 HA THR 80 -0.278 -3.444 4.561 608 HB THR 80 HB THR 80 -0.660 -5.625 2.482 609 HG1 THR 80 HG1 THR 80 -2.149 -4.748 4.743 610 HG21 THR 80 3HG2 THR 80 1.144 -6.231 4.051 611 HG22 THR 80 1HG2 THR 80 -0.292 -7.226 4.301 612 HG23 THR 80 2HG2 THR 80 0.068 -5.903 5.410 613 H SER 81 H SER 81 1.844 -3.727 5.178 614 HA SER 81 HA SER 81 3.803 -3.051 3.126 615 HG SER 81 HG SER 81 5.751 -1.578 4.594 616 HB2 SER 81 2HB SER 81 3.733 -1.760 5.221 617 HB3 SER 81 1HB SER 81 4.133 -3.216 6.130 618 H GLN 82 H GLN 82 6.156 -3.939 3.932 619 HA GLN 82 HA GLN 82 6.084 -6.778 3.270 620 HB2 GLN 82 2HB GLN 82 8.421 -4.871 3.549 621 HB3 GLN 82 1HB GLN 82 8.503 -6.505 2.909 622 HG2 GLN 82 2HG GLN 82 6.900 -4.269 1.680 623 HG3 GLN 82 1HG GLN 82 8.521 -4.743 1.175 624 HE21 GLN 82 1HE2 GLN 82 6.000 -4.735 -0.300 625 HE22 GLN 82 2HE2 GLN 82 5.791 -6.347 -0.881 626 H MET 83 H MET 83 8.472 -7.681 4.394 627 HA MET 83 HA MET 83 7.687 -7.944 7.200 628 HB2 MET 83 2HB MET 83 9.276 -9.817 7.290 629 HB3 MET 83 1HB MET 83 8.108 -10.008 5.993 630 HG2 MET 83 2HG MET 83 9.760 -9.339 4.357 631 HG3 MET 83 1HG MET 83 10.935 -9.026 5.633 632 HE1 MET 83 3HE MET 83 12.019 -10.929 7.154 633 HE2 MET 83 1HE MET 83 11.580 -12.632 7.038 634 HE3 MET 83 2HE MET 83 10.406 -11.459 7.632 635 H TYR 84 H TYR 84 8.583 -6.760 8.735 636 HA TYR 84 HA TYR 84 11.374 -5.835 8.430 637 HD1 TYR 84 HD2 TYR 84 11.570 -3.011 7.907 638 HD2 TYR 84 HD1 TYR 84 7.508 -4.085 8.614 639 HE1 TYR 84 HE2 TYR 84 10.861 -1.527 6.081 640 HE2 TYR 84 HE1 TYR 84 6.795 -2.605 6.789 641 HH TYR 84 HH TYR 84 8.934 -1.301 4.529 642 HB2 TYR 84 2HB TYR 84 9.184 -4.684 10.193 643 HB3 TYR 84 1HB TYR 84 10.824 -4.066 10.058 644 H SER 85 H SER 85 12.320 -5.420 10.774 645 HA SER 85 HA SER 85 11.489 -7.527 12.660 646 HG SER 85 HG SER 85 13.161 -8.453 13.950 647 HB2 SER 85 2HB SER 85 13.500 -8.342 11.471 648 HB3 SER 85 1HB SER 85 14.369 -6.887 11.953 649 H SER 86 H SER 86 13.181 -4.488 12.120 650 HA SER 86 HA SER 86 13.084 -3.770 14.942 651 HG SER 86 HG SER 86 15.031 -1.105 14.561 652 HB2 SER 86 2HB SER 86 15.059 -3.060 13.764 653 HB3 SER 86 1HB SER 86 14.101 -2.320 12.483 654 H THR 87 H THR 87 11.588 -2.451 15.866 655 HA THR 87 HA THR 87 9.183 -1.783 14.511 656 HB THR 87 HB THR 87 8.531 -0.552 16.509 657 HG1 THR 87 HG1 THR 87 10.198 0.527 17.323 658 HG21 THR 87 3HG2 THR 87 8.395 -2.995 16.607 659 HG22 THR 87 1HG2 THR 87 8.785 -2.323 18.191 660 HG23 THR 87 2HG2 THR 87 10.048 -3.073 17.216 661 H ALA 88 H ALA 88 12.086 0.069 15.299 662 HA ALA 88 HA ALA 88 11.151 2.624 14.529 663 HB1 ALA 88 3HB ALA 88 13.172 2.291 15.880 664 HB2 ALA 88 1HB ALA 88 13.502 3.272 14.453 665 HB3 ALA 88 2HB ALA 88 13.985 1.577 14.490 666 H ALA 89 H ALA 89 13.057 0.199 12.708 667 HA ALA 89 HA ALA 89 13.281 1.548 10.279 668 HB1 ALA 89 3HB ALA 89 12.956 -1.430 10.696 669 HB2 ALA 89 1HB ALA 89 14.472 -0.534 10.786 670 HB3 ALA 89 2HB ALA 89 13.607 -0.650 9.255 671 H ARG 90 H ARG 90 10.652 -0.491 11.471 672 HA ARG 90 HA ARG 90 8.951 -0.510 9.265 673 HE ARG 90 HE ARG 90 6.471 0.655 12.998 674 HB2 ARG 90 2HB ARG 90 8.551 -1.856 11.248 675 HB3 ARG 90 1HB ARG 90 8.328 -0.413 12.225 676 HG2 ARG 90 2HG ARG 90 6.362 0.084 10.596 677 HG3 ARG 90 1HG ARG 90 6.481 -1.637 10.212 678 HD2 ARG 90 2HD ARG 90 4.837 -1.218 11.987 679 HD3 ARG 90 1HD ARG 90 6.187 -2.194 12.576 680 HH11 ARG 90 1HH1 ARG 90 5.256 -2.277 14.356 681 HH12 ARG 90 2HH1 ARG 90 5.381 -1.693 15.977 682 HH21 ARG 90 1HH2 ARG 90 6.648 1.369 15.065 683 HH22 ARG 90 2HH2 ARG 90 6.187 0.338 16.379 684 H ASP 91 H ASP 91 8.962 1.814 12.000 685 HA ASP 91 HA ASP 91 6.901 3.429 10.911 686 HB2 ASP 91 2HB ASP 91 8.920 4.030 13.080 687 HB3 ASP 91 1HB ASP 91 7.539 5.056 12.691 688 H ASN 92 H ASN 92 10.438 3.638 10.651 689 HA ASN 92 HA ASN 92 10.510 6.113 9.273 690 HB2 ASN 92 2HB ASN 92 12.379 3.746 9.286 691 HB3 ASN 92 1HB ASN 92 12.664 5.128 8.228 692 HD21 ASN 92 1HD2 ASN 92 12.687 3.986 11.488 693 HD22 ASN 92 2HD2 ASN 92 13.445 5.371 12.181 694 H GLY 93 H GLY 93 9.945 2.798 8.170 695 HA2 GLY 93 2HA GLY 93 9.732 3.271 5.415 696 HA3 GLY 93 1HA GLY 93 8.826 2.050 6.301 697 H ILE 94 H ILE 94 7.265 3.549 7.966 698 HA ILE 94 HA ILE 94 5.113 4.429 6.426 699 HB ILE 94 HB ILE 94 5.791 5.247 9.262 700 HG12 ILE 94 2HG1 ILE 94 4.112 2.945 8.213 701 HG13 ILE 94 1HG1 ILE 94 5.693 2.806 8.974 702 HG21 ILE 94 1HG2 ILE 94 3.389 5.683 9.517 703 HG22 ILE 94 2HG2 ILE 94 3.137 5.306 7.812 704 HG23 ILE 94 3HG2 ILE 94 4.100 6.710 8.272 705 HD11 ILE 94 3HD1 ILE 94 3.169 3.779 10.290 706 HD12 ILE 94 1HD1 ILE 94 4.755 3.680 11.056 707 HD13 ILE 94 2HD1 ILE 94 3.943 2.210 10.520 708 H LYS 95 H LYS 95 7.756 6.321 7.881 709 HA LYS 95 HA LYS 95 6.882 8.877 7.081 710 HB2 LYS 95 2HB LYS 95 9.735 7.887 7.359 711 HB3 LYS 95 1HB LYS 95 9.229 9.573 7.337 712 HG2 LYS 95 2HG LYS 95 8.492 7.531 9.437 713 HG3 LYS 95 1HG LYS 95 9.712 8.793 9.606 714 HD2 LYS 95 2HD LYS 95 6.761 9.272 9.137 715 HD3 LYS 95 1HD LYS 95 7.576 9.377 10.698 716 HE2 LYS 95 2HE LYS 95 9.003 11.175 9.824 717 HE3 LYS 95 1HE LYS 95 8.170 11.079 8.273 718 HZ1 LYS 95 3HZ LYS 95 6.133 11.752 9.339 719 HZ2 LYS 95 1HZ LYS 95 7.346 12.880 9.683 720 HZ3 LYS 95 2HZ LYS 95 6.876 11.757 10.857 721 H SER 96 H SER 96 8.846 6.451 5.389 722 HA SER 96 HA SER 96 9.286 7.915 3.014 723 HG SER 96 HG SER 96 10.749 5.373 4.549 724 HB2 SER 96 2HB SER 96 9.029 4.909 3.359 725 HB3 SER 96 1HB SER 96 9.740 5.729 1.966 726 H VAL 97 H VAL 97 6.524 6.112 4.184 727 HA VAL 97 HA VAL 97 5.089 5.958 1.733 728 HB VAL 97 HB VAL 97 3.934 6.014 4.526 729 HG11 VAL 97 1HG1 VAL 97 2.262 6.350 2.764 730 HG12 VAL 97 2HG1 VAL 97 2.053 4.789 3.559 731 HG13 VAL 97 3HG1 VAL 97 2.806 4.872 1.966 732 HG21 VAL 97 3HG2 VAL 97 5.667 4.297 4.308 733 HG22 VAL 97 1HG2 VAL 97 4.826 3.628 2.912 734 HG23 VAL 97 2HG2 VAL 97 4.065 3.592 4.503 735 H MET 98 H MET 98 4.818 8.256 4.483 736 HA MET 98 HA MET 98 2.883 9.907 3.263 737 HB2 MET 98 2HB MET 98 3.443 11.585 4.932 738 HB3 MET 98 1HB MET 98 3.374 9.995 5.673 739 HG2 MET 98 2HG MET 98 5.820 9.880 5.638 740 HG3 MET 98 1HG MET 98 5.880 11.487 4.918 741 HE1 MET 98 3HE MET 98 4.426 13.716 7.806 742 HE2 MET 98 1HE MET 98 3.478 12.955 6.529 743 HE3 MET 98 2HE MET 98 5.040 13.684 6.154 744 H GLU 99 H GLU 99 6.357 9.766 2.886 745 HA GLU 99 HA GLU 99 6.609 12.240 1.457 746 HB2 GLU 99 2HB GLU 99 8.551 11.329 2.539 747 HB3 GLU 99 1HB GLU 99 8.387 9.804 1.679 748 HG2 GLU 99 2HG GLU 99 10.203 11.013 0.716 749 HG3 GLU 99 1HG GLU 99 8.878 11.002 -0.443 750 H ASN 100 H ASN 100 6.630 8.830 0.340 751 HA ASN 100 HA ASN 100 6.678 9.764 -2.428 752 HB2 ASN 100 2HB ASN 100 7.008 6.992 -1.259 753 HB3 ASN 100 1HB ASN 100 7.147 7.384 -2.971 754 HD21 ASN 100 1HD2 ASN 100 8.614 7.726 0.164 755 HD22 ASN 100 2HD2 ASN 100 10.158 8.253 -0.396 756 H GLY 101 H GLY 101 4.388 8.397 -0.220 757 HA2 GLY 101 2HA GLY 101 2.639 7.154 -2.087 758 HA3 GLY 101 1HA GLY 101 2.211 7.680 -0.468 759 H LYS 102 H LYS 102 3.287 10.431 -1.529 760 HA LYS 102 HA LYS 102 0.690 11.435 -2.353 761 HB2 LYS 102 2HB LYS 102 3.320 12.798 -1.732 762 HB3 LYS 102 1HB LYS 102 1.861 13.664 -2.198 763 HG2 LYS 102 2HG LYS 102 0.735 13.042 -0.221 764 HG3 LYS 102 1HG LYS 102 1.936 11.813 0.170 765 HD2 LYS 102 2HD LYS 102 2.201 13.766 1.606 766 HD3 LYS 102 1HD LYS 102 3.606 13.560 0.563 767 HE2 LYS 102 2HE LYS 102 1.352 15.433 -0.127 768 HE3 LYS 102 1HE LYS 102 2.716 15.929 0.871 769 HZ1 LYS 102 3HZ LYS 102 3.279 16.556 -1.283 770 HZ2 LYS 102 1HZ LYS 102 2.727 15.111 -1.970 771 HZ3 LYS 102 2HZ LYS 102 4.144 15.126 -1.044 772 H THR 103 H THR 103 2.703 9.838 -4.146 773 HA THR 103 HA THR 103 3.188 11.707 -6.312 774 HB THR 103 HB THR 103 4.827 9.946 -5.954 775 HG1 THR 103 HG1 THR 103 4.964 9.264 -8.105 776 HG21 THR 103 3HG2 THR 103 2.618 7.997 -6.658 777 HG22 THR 103 1HG2 THR 103 3.322 8.210 -5.056 778 HG23 THR 103 2HG2 THR 103 4.308 7.590 -6.377 779 H THR 104 H THR 104 2.080 11.913 -8.194 780 HA THR 104 HA THR 104 -0.496 10.545 -8.450 781 HB THR 104 HB THR 104 -0.902 12.123 -10.325 782 HG1 THR 104 HG1 THR 104 0.947 13.924 -10.036 783 HG21 THR 104 3HG2 THR 104 0.037 13.441 -7.768 784 HG22 THR 104 1HG2 THR 104 -1.568 12.771 -8.063 785 HG23 THR 104 2HG2 THR 104 -1.018 14.178 -8.973 786 H THR 105 H THR 105 2.489 9.659 -9.203 787 HA THR 105 HA THR 105 2.216 8.966 -12.005 788 HB THR 105 HB THR 105 4.355 8.103 -10.033 789 HG1 THR 105 HG1 THR 105 4.621 10.266 -10.177 790 HG21 THR 105 3HG2 THR 105 4.324 8.115 -13.060 791 HG22 THR 105 1HG2 THR 105 4.263 6.685 -12.028 792 HG23 THR 105 2HG2 THR 105 5.707 7.697 -12.048 793 H ILE 106 H ILE 106 0.814 7.375 -12.502 794 HA ILE 106 HA ILE 106 0.921 4.853 -10.954 795 HB ILE 106 HB ILE 106 -1.483 5.984 -12.415 796 HG12 ILE 106 2HG1 ILE 106 -0.991 5.746 -9.427 797 HG13 ILE 106 1HG1 ILE 106 -0.916 7.248 -10.343 798 HG21 ILE 106 1HG2 ILE 106 -2.721 4.141 -11.363 799 HG22 ILE 106 2HG2 ILE 106 -1.221 3.534 -10.661 800 HG23 ILE 106 3HG2 ILE 106 -1.437 3.541 -12.413 801 HD11 ILE 106 3HD1 ILE 106 -3.293 7.019 -10.894 802 HD12 ILE 106 1HD1 ILE 106 -3.014 7.056 -9.152 803 HD13 ILE 106 2HD1 ILE 106 -3.356 5.525 -9.956 804 H LYS 107 H LYS 107 1.279 3.001 -12.094 805 HA LYS 107 HA LYS 107 1.428 3.208 -15.042 806 HB2 LYS 107 2HB LYS 107 3.055 1.437 -13.202 807 HB3 LYS 107 1HB LYS 107 3.216 1.528 -14.951 808 HG2 LYS 107 2HG LYS 107 3.870 3.914 -14.720 809 HG3 LYS 107 1HG LYS 107 3.815 3.722 -12.968 810 HD2 LYS 107 2HD LYS 107 5.553 1.980 -13.123 811 HD3 LYS 107 1HD LYS 107 5.616 2.219 -14.872 812 HE2 LYS 107 2HE LYS 107 6.302 4.252 -12.745 813 HE3 LYS 107 1HE LYS 107 7.433 3.421 -13.809 814 HZ1 LYS 107 3HZ LYS 107 5.326 5.333 -14.675 815 HZ2 LYS 107 1HZ LYS 107 6.398 4.522 -15.702 816 HZ3 LYS 107 2HZ LYS 107 6.984 5.655 -14.590 817 H ASP 108 H ASP 108 -0.018 1.988 -16.120 818 HA ASP 108 HA ASP 108 -1.426 -0.148 -14.729 819 HB2 ASP 108 2HB ASP 108 -2.632 1.521 -16.153 820 HB3 ASP 108 1HB ASP 108 -1.824 0.844 -17.564 821 H LEU 109 H LEU 109 -0.730 -2.168 -14.769 822 HA LEU 109 HA LEU 109 0.733 -3.172 -17.135 823 HG LEU 109 HG LEU 109 2.086 -2.062 -14.486 824 HB2 LEU 109 2HB LEU 109 0.838 -4.190 -14.285 825 HB3 LEU 109 1HB LEU 109 1.743 -4.841 -15.639 826 HD11 LEU 109 1HD1 LEU 109 3.864 -4.495 -14.273 827 HD12 LEU 109 2HD1 LEU 109 2.884 -3.811 -12.976 828 HD13 LEU 109 3HD1 LEU 109 4.224 -2.884 -13.650 829 HD21 LEU 109 3HD2 LEU 109 2.568 -2.095 -16.866 830 HD22 LEU 109 1HD2 LEU 109 3.610 -3.506 -16.662 831 HD23 LEU 109 2HD2 LEU 109 4.067 -1.959 -15.949 832 H THR 110 H THR 110 -2.252 -3.053 -16.329 833 HA THR 110 HA THR 110 -2.961 -5.900 -16.350 834 HB THR 110 HB THR 110 -5.221 -5.260 -15.958 835 HG1 THR 110 HG1 THR 110 -4.525 -2.527 -16.445 836 HG21 THR 110 3HG2 THR 110 -3.765 -4.990 -14.005 837 HG22 THR 110 1HG2 THR 110 -5.080 -3.818 -13.980 838 HG23 THR 110 2HG2 THR 110 -3.460 -3.313 -14.457 839 H LEU 111 H LEU 111 -3.094 -3.056 -18.400 840 HA LEU 111 HA LEU 111 -4.320 -4.447 -20.628 841 HG LEU 111 HG LEU 111 -5.006 -1.799 -19.054 842 HB2 LEU 111 2HB LEU 111 -2.992 -1.731 -20.499 843 HB3 LEU 111 1HB LEU 111 -3.949 -2.337 -21.837 844 HD11 LEU 111 1HD1 LEU 111 -5.332 -0.207 -21.599 845 HD12 LEU 111 2HD1 LEU 111 -4.383 0.265 -20.187 846 HD13 LEU 111 3HD1 LEU 111 -6.136 0.122 -20.061 847 HD21 LEU 111 3HD2 LEU 111 -7.220 -2.087 -20.108 848 HD22 LEU 111 1HD2 LEU 111 -6.256 -3.565 -20.152 849 HD23 LEU 111 2HD2 LEU 111 -6.427 -2.577 -21.604 850 H GLU 112 H GLU 112 -1.109 -3.561 -19.549 851 HA GLU 112 HA GLU 112 0.085 -4.244 -22.114 852 HB2 GLU 112 2HB GLU 112 1.042 -2.831 -19.671 853 HB3 GLU 112 1HB GLU 112 2.241 -3.611 -20.694 854 HG2 GLU 112 2HG GLU 112 0.269 -1.488 -21.521 855 HG3 GLU 112 1HG GLU 112 2.016 -1.305 -21.347 856 H HIS 113 H HIS 113 0.383 -6.288 -22.529 857 HA HIS 113 HA HIS 113 1.755 -7.953 -20.518 858 HD1 HIS 113 HD1 HIS 113 0.304 -9.948 -24.243 859 HD2 HIS 113 HD2 HIS 113 -2.350 -7.506 -22.171 860 HE1 HIS 113 HE1 HIS 113 -1.501 -9.366 -25.887 861 HE2 HIS 113 HE2 HIS 113 -3.021 -7.791 -24.651 862 HB2 HIS 113 2HB HIS 113 0.663 -9.936 -21.684 863 HB3 HIS 113 1HB HIS 113 -0.401 -8.923 -20.716 864 H HIS 114 H HIS 114 3.457 -6.567 -21.849 865 HA HIS 114 HA HIS 114 4.614 -8.475 -23.796 866 HD1 HIS 114 HD1 HIS 114 2.978 -4.331 -24.680 867 HD2 HIS 114 HD2 HIS 114 3.534 -8.058 -26.432 868 HE1 HIS 114 HE1 HIS 114 1.162 -4.547 -26.395 869 HE2 HIS 114 HE2 HIS 114 1.672 -6.695 -27.596 870 HB2 HIS 114 2HB HIS 114 4.986 -5.462 -23.805 871 HB3 HIS 114 1HB HIS 114 5.716 -6.597 -24.933 872 H HIS 115 H HIS 115 5.508 -9.438 -21.807 873 HA HIS 115 HA HIS 115 8.119 -8.533 -21.142 874 HD1 HIS 115 HD1 HIS 115 5.249 -9.814 -18.316 875 HD2 HIS 115 HD2 HIS 115 4.723 -5.849 -19.449 876 HE1 HIS 115 HE1 HIS 115 2.859 -9.275 -17.782 877 HE2 HIS 115 HE2 HIS 115 2.532 -6.904 -18.565 878 HB2 HIS 115 2HB HIS 115 7.538 -8.178 -18.638 879 HB3 HIS 115 1HB HIS 115 7.210 -6.864 -19.765 880 H HIS 116 H HIS 116 9.209 -9.926 -19.599 881 HA HIS 116 HA HIS 116 7.937 -12.582 -19.406 882 HD1 HIS 116 HD1 HIS 116 11.994 -11.911 -17.780 883 HD2 HIS 116 HD2 HIS 116 11.253 -10.576 -21.639 884 HE1 HIS 116 HE1 HIS 116 13.734 -10.170 -18.230 885 HE2 HIS 116 HE2 HIS 116 13.398 -9.539 -20.636 886 HB2 HIS 116 2HB HIS 116 10.346 -13.409 -19.175 887 HB3 HIS 116 1HB HIS 116 9.864 -12.797 -20.753 888 H HIS 117 H HIS 117 8.147 -13.823 -17.511 889 HA HIS 117 HA HIS 117 7.705 -12.344 -15.146 890 HD1 HIS 117 HD1 HIS 117 5.213 -13.780 -13.839 891 HD2 HIS 117 HD2 HIS 117 8.789 -15.492 -12.585 892 HE1 HIS 117 HE1 HIS 117 4.928 -14.220 -11.385 893 HE2 HIS 117 HE2 HIS 117 7.009 -15.447 -10.710 894 HB2 HIS 117 2HB HIS 117 6.733 -14.594 -15.767 895 HB3 HIS 117 1HB HIS 117 8.281 -15.309 -15.339 896 H HIS 118 H HIS 118 10.501 -14.320 -16.163 897 HA HIS 118 HA HIS 118 12.056 -13.212 -13.907 898 HD1 HIS 118 HD1 HIS 118 12.100 -17.827 -14.331 899 HD2 HIS 118 HD2 HIS 118 11.780 -14.445 -11.934 900 HE1 HIS 118 HE1 HIS 118 11.196 -18.640 -12.136 901 HE2 HIS 118 HE2 HIS 118 11.184 -16.609 -10.651 902 HB2 HIS 118 2HB HIS 118 12.486 -15.674 -15.607 903 HB3 HIS 118 1HB HIS 118 13.750 -15.019 -14.571
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