NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
531493 | 2ln3 | 18145 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -16.532 -6.580 7.184 2 H2 MET 1 2H MET 1 -15.485 -7.516 6.251 3 H3 MET 1 3H MET 1 -16.822 -8.236 6.991 4 HA MET 1 HA MET 1 -17.149 -7.903 4.618 5 HB2 MET 1 2HB MET 1 -19.370 -6.861 4.757 6 HB3 MET 1 3HB MET 1 -19.111 -7.894 6.152 7 HG2 MET 1 2HG MET 1 -18.680 -5.952 7.557 8 HG3 MET 1 3HG MET 1 -18.821 -4.876 6.167 9 HE1 MET 1 3HE MET 1 -22.656 -5.186 5.313 10 HE2 MET 1 1HE MET 1 -21.363 -6.155 4.604 11 HE3 MET 1 2HE MET 1 -21.128 -4.426 4.871 12 H GLY 2 H GLY 2 -17.354 -6.447 2.847 13 HA2 GLY 2 2HA GLY 2 -17.386 -3.828 2.519 14 HA3 GLY 2 3HA GLY 2 -15.726 -4.014 3.080 15 H LEU 3 H LEU 3 -16.526 -3.045 0.528 16 HA LEU 3 HA LEU 3 -15.865 -5.161 -1.392 17 HB2 LEU 3 2HB LEU 3 -16.575 -2.223 -1.824 18 HB3 LEU 3 3HB LEU 3 -16.218 -3.364 -3.106 19 HG LEU 3 HG LEU 3 -18.258 -4.711 -2.329 20 HD11 LEU 3 1HD1 LEU 3 -18.532 -3.781 -0.088 21 HD12 LEU 3 2HD1 LEU 3 -19.996 -3.562 -1.044 22 HD13 LEU 3 3HD1 LEU 3 -18.908 -2.196 -0.771 23 HD21 LEU 3 3HD2 LEU 3 -19.859 -3.291 -3.528 24 HD22 LEU 3 1HD2 LEU 3 -18.303 -3.346 -4.354 25 HD23 LEU 3 2HD2 LEU 3 -18.751 -1.921 -3.411 26 H THR 4 H THR 4 -13.742 -5.609 -1.416 27 HA THR 4 HA THR 4 -11.641 -3.796 -0.780 28 HB THR 4 HB THR 4 -11.458 -6.461 -2.258 29 HG1 THR 4 HG1 THR 4 -11.703 -5.767 0.470 30 HG21 THR 4 3HG2 THR 4 -9.348 -4.980 -0.622 31 HG22 THR 4 1HG2 THR 4 -9.340 -5.156 -2.384 32 HG23 THR 4 2HG2 THR 4 -9.154 -6.573 -1.353 33 H ARG 5 H ARG 5 -12.215 -2.033 -2.127 34 HA ARG 5 HA ARG 5 -12.272 -2.026 -4.944 35 HB2 ARG 5 2HB ARG 5 -12.067 0.442 -4.739 36 HB3 ARG 5 3HB ARG 5 -13.290 -0.218 -3.660 37 HG2 ARG 5 2HG ARG 5 -11.815 0.020 -1.744 38 HG3 ARG 5 3HG ARG 5 -10.473 0.509 -2.781 39 HD2 ARG 5 2HD ARG 5 -11.470 2.444 -1.645 40 HD3 ARG 5 3HD ARG 5 -11.676 2.559 -3.396 41 HE ARG 5 HE ARG 5 -13.905 1.400 -1.922 42 HH11 ARG 5 1HH1 ARG 5 -12.575 4.339 -3.324 43 HH12 ARG 5 2HH1 ARG 5 -14.106 5.147 -3.374 44 HH21 ARG 5 1HH2 ARG 5 -15.904 2.474 -2.000 45 HH22 ARG 5 2HH2 ARG 5 -15.995 4.091 -2.624 46 H THR 6 H THR 6 -10.730 -0.891 -6.363 47 HA THR 6 HA THR 6 -7.910 -1.490 -5.680 48 HB THR 6 HB THR 6 -9.229 -1.732 -8.427 49 HG1 THR 6 HG1 THR 6 -8.267 -3.831 -6.760 50 HG21 THR 6 3HG2 THR 6 -7.109 -2.797 -9.119 51 HG22 THR 6 1HG2 THR 6 -6.433 -2.528 -7.508 52 HG23 THR 6 2HG2 THR 6 -6.811 -1.153 -8.552 53 H ILE 7 H ILE 7 -7.085 0.460 -5.280 54 HA ILE 7 HA ILE 7 -7.818 2.843 -6.852 55 HB ILE 7 HB ILE 7 -6.147 2.615 -4.299 56 HG12 ILE 7 2HG1 ILE 7 -9.070 3.459 -4.571 57 HG13 ILE 7 3HG1 ILE 7 -8.520 1.915 -3.926 58 HG21 ILE 7 1HG2 ILE 7 -7.340 5.090 -5.595 59 HG22 ILE 7 2HG2 ILE 7 -5.634 4.638 -5.622 60 HG23 ILE 7 3HG2 ILE 7 -6.412 5.042 -4.091 61 HD11 ILE 7 3HD1 ILE 7 -9.144 3.414 -2.146 62 HD12 ILE 7 1HD1 ILE 7 -8.002 4.632 -2.714 63 HD13 ILE 7 2HD1 ILE 7 -7.413 3.091 -2.081 64 H THR 8 H THR 8 -6.520 3.200 -8.602 65 HA THR 8 HA THR 8 -3.674 2.347 -8.537 66 HB THR 8 HB THR 8 -3.804 2.645 -11.092 67 HG1 THR 8 HG1 THR 8 -5.846 3.828 -10.993 68 HG21 THR 8 3HG2 THR 8 -3.778 0.396 -10.129 69 HG22 THR 8 1HG2 THR 8 -4.876 0.450 -11.512 70 HG23 THR 8 2HG2 THR 8 -5.524 0.459 -9.870 71 H SER 9 H SER 9 -2.481 4.030 -7.891 72 HA SER 9 HA SER 9 -2.947 6.711 -9.044 73 HB2 SER 9 2HB SER 9 -3.923 6.729 -6.776 74 HB3 SER 9 3HB SER 9 -2.416 6.111 -6.098 75 HG SER 9 HG SER 9 -3.086 8.615 -6.496 76 H GLN 10 H GLN 10 -1.147 7.959 -9.281 77 HA GLN 10 HA GLN 10 1.417 6.560 -9.455 78 HB2 GLN 10 2HB GLN 10 0.659 9.365 -10.388 79 HB3 GLN 10 3HB GLN 10 2.103 8.453 -10.837 80 HG2 GLN 10 2HG GLN 10 0.617 6.756 -11.940 81 HG3 GLN 10 3HG GLN 10 -0.764 7.793 -11.585 82 HE21 GLN 10 1HE2 GLN 10 2.018 7.310 -13.591 83 HE22 GLN 10 2HE2 GLN 10 1.684 8.581 -14.717 84 H ASN 11 H ASN 11 -0.206 8.283 -7.136 85 HA ASN 11 HA ASN 11 2.261 9.245 -5.810 86 HB2 ASN 11 2HB ASN 11 0.613 11.052 -6.167 87 HB3 ASN 11 3HB ASN 11 -0.653 10.089 -5.411 88 HD21 ASN 11 1HD2 ASN 11 -1.102 11.515 -3.765 89 HD22 ASN 11 2HD2 ASN 11 0.012 11.923 -2.504 90 H LYS 12 H LYS 12 2.947 7.751 -4.383 91 HA LYS 12 HA LYS 12 1.211 5.706 -3.339 92 HB2 LYS 12 2HB LYS 12 3.321 5.043 -1.966 93 HB3 LYS 12 3HB LYS 12 3.327 4.846 -3.706 94 HG2 LYS 12 2HG LYS 12 5.460 5.651 -3.126 95 HG3 LYS 12 3HG LYS 12 4.609 7.000 -3.881 96 HD2 LYS 12 2HD LYS 12 4.199 7.997 -1.663 97 HD3 LYS 12 3HD LYS 12 4.998 6.627 -0.880 98 HE2 LYS 12 2HE LYS 12 7.113 7.208 -1.960 99 HE3 LYS 12 3HE LYS 12 6.326 8.507 -2.856 100 HZ1 LYS 12 3HZ LYS 12 6.470 8.434 0.097 101 HZ2 LYS 12 1HZ LYS 12 6.014 9.734 -0.884 102 HZ3 LYS 12 2HZ LYS 12 7.622 9.201 -0.873 103 H GLU 13 H GLU 13 2.091 8.856 -2.190 104 HA GLU 13 HA GLU 13 2.077 8.379 0.602 105 HB2 GLU 13 2HB GLU 13 1.475 10.948 -0.910 106 HB3 GLU 13 3HB GLU 13 1.856 10.836 0.814 107 HG2 GLU 13 2HG GLU 13 4.076 9.764 0.089 108 HG3 GLU 13 3HG GLU 13 3.675 10.295 -1.545 109 H GLU 14 H GLU 14 -0.466 9.683 -1.537 110 HA GLU 14 HA GLU 14 -2.554 9.868 0.310 111 HB2 GLU 14 2HB GLU 14 -4.077 9.826 -1.630 112 HB3 GLU 14 3HB GLU 14 -2.691 10.870 -1.926 113 HG2 GLU 14 2HG GLU 14 -1.644 9.109 -3.283 114 HG3 GLU 14 3HG GLU 14 -3.027 8.053 -2.991 115 H LEU 15 H LEU 15 -1.278 7.102 -1.472 116 HA LEU 15 HA LEU 15 -3.439 5.289 -1.034 117 HB2 LEU 15 2HB LEU 15 -0.511 4.686 -1.629 118 HB3 LEU 15 3HB LEU 15 -1.814 3.508 -1.700 119 HG LEU 15 HG LEU 15 -1.474 5.923 -3.521 120 HD11 LEU 15 1HD1 LEU 15 -1.088 4.288 -5.307 121 HD12 LEU 15 2HD1 LEU 15 -1.188 2.969 -4.134 122 HD13 LEU 15 3HD1 LEU 15 0.120 4.151 -4.028 123 HD21 LEU 15 3HD2 LEU 15 -3.406 5.061 -4.771 124 HD22 LEU 15 1HD2 LEU 15 -3.844 5.510 -3.127 125 HD23 LEU 15 2HD2 LEU 15 -3.646 3.808 -3.552 126 H LEU 16 H LEU 16 -0.633 6.295 0.854 127 HA LEU 16 HA LEU 16 -0.605 4.097 2.714 128 HB2 LEU 16 2HB LEU 16 0.520 6.898 3.129 129 HB3 LEU 16 3HB LEU 16 0.993 5.438 3.984 130 HG LEU 16 HG LEU 16 1.537 6.032 1.057 131 HD11 LEU 16 1HD1 LEU 16 3.887 6.238 1.682 132 HD12 LEU 16 2HD1 LEU 16 3.465 6.031 3.385 133 HD13 LEU 16 3HD1 LEU 16 2.886 7.441 2.492 134 HD21 LEU 16 3HD2 LEU 16 2.952 4.027 1.048 135 HD22 LEU 16 1HD2 LEU 16 1.267 3.638 1.373 136 HD23 LEU 16 2HD2 LEU 16 2.436 3.646 2.696 137 H GLU 17 H GLU 17 -1.850 7.431 2.738 138 HA GLU 17 HA GLU 17 -2.951 7.451 5.357 139 HB2 GLU 17 2HB GLU 17 -3.817 9.077 2.934 140 HB3 GLU 17 3HB GLU 17 -4.132 9.481 4.624 141 HG2 GLU 17 2HG GLU 17 -1.761 9.849 5.034 142 HG3 GLU 17 3HG GLU 17 -1.350 9.276 3.417 143 H ILE 18 H ILE 18 -4.506 6.870 2.194 144 HA ILE 18 HA ILE 18 -7.137 6.342 3.095 145 HB ILE 18 HB ILE 18 -5.762 5.329 0.556 146 HG12 ILE 18 2HG1 ILE 18 -7.574 7.769 0.843 147 HG13 ILE 18 3HG1 ILE 18 -5.819 7.857 0.858 148 HG21 ILE 18 1HG2 ILE 18 -8.734 5.521 1.180 149 HG22 ILE 18 2HG2 ILE 18 -7.802 4.034 1.004 150 HG23 ILE 18 3HG2 ILE 18 -8.047 5.085 -0.389 151 HD11 ILE 18 3HD1 ILE 18 -6.725 8.451 -1.311 152 HD12 ILE 18 1HD1 ILE 18 -7.502 6.873 -1.448 153 HD13 ILE 18 2HD1 ILE 18 -5.739 6.994 -1.421 154 H ALA 19 H ALA 19 -4.280 4.307 2.667 155 HA ALA 19 HA ALA 19 -5.331 1.752 3.091 156 HB1 ALA 19 3HB ALA 19 -3.049 1.136 3.815 157 HB2 ALA 19 1HB ALA 19 -2.623 2.843 3.914 158 HB3 ALA 19 2HB ALA 19 -3.029 2.123 2.354 159 H LEU 20 H LEU 20 -3.801 3.931 5.463 160 HA LEU 20 HA LEU 20 -4.280 2.497 7.795 161 HB2 LEU 20 2HB LEU 20 -2.713 4.362 7.719 162 HB3 LEU 20 3HB LEU 20 -4.003 5.493 7.353 163 HG LEU 20 HG LEU 20 -4.945 5.177 9.641 164 HD11 LEU 20 1HD1 LEU 20 -3.729 3.973 11.380 165 HD12 LEU 20 2HD1 LEU 20 -2.543 3.417 10.194 166 HD13 LEU 20 3HD1 LEU 20 -4.223 2.884 10.084 167 HD21 LEU 20 3HD2 LEU 20 -3.214 6.374 10.885 168 HD22 LEU 20 1HD2 LEU 20 -3.369 7.004 9.247 169 HD23 LEU 20 2HD2 LEU 20 -2.014 5.948 9.661 170 H LYS 21 H LYS 21 -6.340 4.847 6.124 171 HA LYS 21 HA LYS 21 -8.440 5.148 7.941 172 HB2 LYS 21 2HB LYS 21 -8.378 6.593 6.029 173 HB3 LYS 21 3HB LYS 21 -8.327 5.237 4.909 174 HG2 LYS 21 2HG LYS 21 -10.664 4.687 5.399 175 HG3 LYS 21 3HG LYS 21 -10.740 5.970 6.609 176 HD2 LYS 21 2HD LYS 21 -10.195 6.445 3.651 177 HD3 LYS 21 3HD LYS 21 -11.796 6.538 4.391 178 HE2 LYS 21 2HE LYS 21 -9.413 8.282 5.118 179 HE3 LYS 21 3HE LYS 21 -10.802 8.774 4.146 180 HZ1 LYS 21 3HZ LYS 21 -10.852 7.966 7.009 181 HZ2 LYS 21 1HZ LYS 21 -12.226 8.327 6.089 182 HZ3 LYS 21 2HZ LYS 21 -11.074 9.526 6.397 183 H PHE 22 H PHE 22 -7.985 2.681 5.382 184 HA PHE 22 HA PHE 22 -10.557 1.445 5.812 185 HB2 PHE 22 2HB PHE 22 -8.179 0.805 4.059 186 HB3 PHE 22 3HB PHE 22 -9.387 -0.447 4.327 187 HD1 PHE 22 HD1 PHE 22 -9.361 3.235 3.480 188 HD2 PHE 22 HD2 PHE 22 -11.020 -0.627 2.663 189 HE1 PHE 22 HE1 PHE 22 -10.745 4.201 1.697 190 HE2 PHE 22 HE2 PHE 22 -12.403 0.355 0.882 191 HZ PHE 22 HZ PHE 22 -12.267 2.765 0.399 192 H ILE 23 H ILE 23 -7.223 0.699 6.789 193 HA ILE 23 HA ILE 23 -7.822 -1.941 7.746 194 HB ILE 23 HB ILE 23 -5.371 -0.243 8.394 195 HG12 ILE 23 2HG1 ILE 23 -5.576 -0.431 5.949 196 HG13 ILE 23 3HG1 ILE 23 -4.230 -1.411 6.507 197 HG21 ILE 23 1HG2 ILE 23 -5.613 -2.177 9.887 198 HG22 ILE 23 2HG2 ILE 23 -4.237 -2.405 8.806 199 HG23 ILE 23 3HG2 ILE 23 -5.752 -3.258 8.497 200 HD11 ILE 23 3HD1 ILE 23 -5.574 -3.423 6.238 201 HD12 ILE 23 1HD1 ILE 23 -5.498 -2.487 4.749 202 HD13 ILE 23 2HD1 ILE 23 -6.957 -2.444 5.733 203 H SER 24 H SER 24 -7.464 1.286 9.219 204 HA SER 24 HA SER 24 -7.704 0.659 11.934 205 HB2 SER 24 2HB SER 24 -7.085 2.905 11.074 206 HB3 SER 24 3HB SER 24 -8.733 3.145 10.499 207 HG SER 24 HG SER 24 -9.349 3.600 12.467 208 H GLN 25 H GLN 25 -10.227 1.138 9.486 209 HA GLN 25 HA GLN 25 -12.457 0.802 11.265 210 HB2 GLN 25 2HB GLN 25 -12.260 0.635 8.228 211 HB3 GLN 25 3HB GLN 25 -13.779 0.607 9.123 212 HG2 GLN 25 2HG GLN 25 -13.375 2.869 9.947 213 HG3 GLN 25 3HG GLN 25 -11.798 2.909 9.164 214 HE21 GLN 25 1HE2 GLN 25 -11.696 3.146 6.903 215 HE22 GLN 25 2HE2 GLN 25 -13.045 3.679 5.972 216 H GLY 26 H GLY 26 -10.337 -1.377 9.557 217 HA2 GLY 26 2HA GLY 26 -10.141 -3.686 9.982 218 HA3 GLY 26 3HA GLY 26 -11.804 -3.742 10.556 219 H LEU 27 H LEU 27 -10.605 -2.296 7.581 220 HA LEU 27 HA LEU 27 -12.325 -4.066 5.947 221 HB2 LEU 27 2HB LEU 27 -11.298 -1.264 5.299 222 HB3 LEU 27 3HB LEU 27 -12.434 -2.207 4.341 223 HG LEU 27 HG LEU 27 -13.004 -1.127 7.127 224 HD11 LEU 27 1HD1 LEU 27 -12.752 0.699 5.528 225 HD12 LEU 27 2HD1 LEU 27 -14.425 0.530 6.049 226 HD13 LEU 27 3HD1 LEU 27 -13.938 -0.051 4.451 227 HD21 LEU 27 3HD2 LEU 27 -14.867 -2.434 5.114 228 HD22 LEU 27 1HD2 LEU 27 -15.340 -1.721 6.661 229 HD23 LEU 27 2HD2 LEU 27 -14.301 -3.141 6.631 230 H ASP 28 H ASP 28 -11.468 -4.862 4.015 231 HA ASP 28 HA ASP 28 -8.555 -4.911 3.716 232 HB2 ASP 28 2HB ASP 28 -10.580 -6.262 1.879 233 HB3 ASP 28 3HB ASP 28 -8.889 -6.686 2.129 234 H LEU 29 H LEU 29 -7.501 -3.961 1.964 235 HA LEU 29 HA LEU 29 -9.037 -2.303 0.064 236 HB2 LEU 29 2HB LEU 29 -8.387 -0.763 1.889 237 HB3 LEU 29 3HB LEU 29 -6.718 -1.295 1.779 238 HG LEU 29 HG LEU 29 -6.547 -0.291 -0.504 239 HD11 LEU 29 1HD1 LEU 29 -9.359 0.728 -0.035 240 HD12 LEU 29 2HD1 LEU 29 -8.867 -0.492 -1.215 241 HD13 LEU 29 3HD1 LEU 29 -8.298 1.165 -1.378 242 HD21 LEU 29 3HD2 LEU 29 -6.550 2.066 0.150 243 HD22 LEU 29 1HD2 LEU 29 -5.860 1.051 1.415 244 HD23 LEU 29 2HD2 LEU 29 -7.501 1.681 1.589 245 H GLU 30 H GLU 30 -8.036 -2.165 -1.964 246 HA GLU 30 HA GLU 30 -5.375 -3.448 -2.242 247 HB2 GLU 30 2HB GLU 30 -7.243 -4.816 -3.209 248 HB3 GLU 30 3HB GLU 30 -7.647 -3.469 -4.272 249 HG2 GLU 30 2HG GLU 30 -5.436 -3.635 -5.338 250 HG3 GLU 30 3HG GLU 30 -5.006 -4.964 -4.259 251 H VAL 31 H VAL 31 -3.896 -2.065 -2.915 252 HA VAL 31 HA VAL 31 -4.636 0.244 -4.630 253 HB VAL 31 HB VAL 31 -2.724 1.515 -3.515 254 HG11 VAL 31 1HG1 VAL 31 -5.042 2.062 -2.955 255 HG12 VAL 31 2HG1 VAL 31 -4.020 2.208 -1.524 256 HG13 VAL 31 3HG1 VAL 31 -5.069 0.800 -1.716 257 HG21 VAL 31 3HG2 VAL 31 -1.966 0.807 -1.274 258 HG22 VAL 31 1HG2 VAL 31 -1.521 -0.379 -2.502 259 HG23 VAL 31 2HG2 VAL 31 -2.884 -0.693 -1.424 260 H GLU 32 H GLU 32 -3.091 0.826 -6.169 261 HA GLU 32 HA GLU 32 -0.733 -0.888 -6.564 262 HB2 GLU 32 2HB GLU 32 -2.466 -1.730 -8.116 263 HB3 GLU 32 3HB GLU 32 -2.727 -0.106 -8.740 264 HG2 GLU 32 2HG GLU 32 -0.393 -0.081 -9.619 265 HG3 GLU 32 3HG GLU 32 -0.161 -1.719 -9.013 266 H PHE 33 H PHE 33 0.981 0.361 -6.662 267 HA PHE 33 HA PHE 33 0.793 3.229 -7.069 268 HB2 PHE 33 2HB PHE 33 2.190 2.322 -5.243 269 HB3 PHE 33 3HB PHE 33 3.154 1.420 -6.408 270 HD1 PHE 33 HD1 PHE 33 1.952 4.980 -6.542 271 HD2 PHE 33 HD2 PHE 33 5.317 2.345 -6.212 272 HE1 PHE 33 HE1 PHE 33 3.479 6.892 -6.708 273 HE2 PHE 33 HE2 PHE 33 6.824 4.273 -6.385 274 HZ PHE 33 HZ PHE 33 5.906 6.543 -6.635 275 H ASP 34 H ASP 34 0.745 3.921 -9.102 276 HA ASP 34 HA ASP 34 1.885 2.401 -11.301 277 HB2 ASP 34 2HB ASP 34 -0.430 3.384 -11.456 278 HB3 ASP 34 3HB ASP 34 0.275 4.991 -11.384 279 H SER 35 H SER 35 4.081 2.692 -10.646 280 HA SER 35 HA SER 35 5.377 4.806 -12.073 281 HB2 SER 35 2HB SER 35 5.014 5.983 -9.910 282 HB3 SER 35 3HB SER 35 5.823 4.675 -9.056 283 HG SER 35 HG SER 35 7.020 6.722 -9.757 284 H THR 36 H THR 36 7.580 4.392 -12.395 285 HA THR 36 HA THR 36 8.535 1.670 -11.721 286 HB THR 36 HB THR 36 9.953 1.940 -13.846 287 HG1 THR 36 HG1 THR 36 9.523 4.316 -13.914 288 HG21 THR 36 3HG2 THR 36 6.931 1.934 -14.243 289 HG22 THR 36 1HG2 THR 36 7.921 0.522 -13.855 290 HG23 THR 36 2HG2 THR 36 8.127 1.348 -15.401 291 H ASP 37 H ASP 37 8.847 4.418 -10.300 292 HA ASP 37 HA ASP 37 11.765 4.767 -10.389 293 HB2 ASP 37 2HB ASP 37 10.244 6.788 -10.348 294 HB3 ASP 37 3HB ASP 37 9.685 6.296 -8.751 295 H ASP 38 H ASP 38 12.854 3.330 -9.196 296 HA ASP 38 HA ASP 38 11.958 1.568 -7.294 297 HB2 ASP 38 2HB ASP 38 14.753 2.739 -7.594 298 HB3 ASP 38 3HB ASP 38 14.385 1.366 -6.553 299 H LYS 39 H LYS 39 13.221 4.844 -6.668 300 HA LYS 39 HA LYS 39 13.577 4.571 -3.870 301 HB2 LYS 39 2HB LYS 39 13.150 7.076 -5.537 302 HB3 LYS 39 3HB LYS 39 13.724 7.058 -3.872 303 HG2 LYS 39 2HG LYS 39 15.758 5.847 -4.584 304 HG3 LYS 39 3HG LYS 39 15.176 5.849 -6.252 305 HD2 LYS 39 2HD LYS 39 16.805 7.640 -5.982 306 HD3 LYS 39 3HD LYS 39 15.208 8.346 -6.235 307 HE2 LYS 39 2HE LYS 39 15.010 8.834 -3.841 308 HE3 LYS 39 3HE LYS 39 16.542 8.017 -3.523 309 HZ1 LYS 39 3HZ LYS 39 17.671 9.686 -4.855 310 HZ2 LYS 39 1HZ LYS 39 16.811 10.419 -3.598 311 HZ3 LYS 39 2HZ LYS 39 16.212 10.462 -5.180 312 H GLU 40 H GLU 40 10.911 5.910 -5.801 313 HA GLU 40 HA GLU 40 9.224 6.649 -3.627 314 HB2 GLU 40 2HB GLU 40 8.554 6.016 -6.530 315 HB3 GLU 40 3HB GLU 40 7.431 6.753 -5.388 316 HG2 GLU 40 2HG GLU 40 10.040 7.966 -6.352 317 HG3 GLU 40 3HG GLU 40 8.432 8.396 -6.923 318 H ILE 41 H ILE 41 9.525 3.707 -5.607 319 HA ILE 41 HA ILE 41 7.347 2.238 -4.570 320 HB ILE 41 HB ILE 41 9.953 1.253 -5.824 321 HG12 ILE 41 2HG1 ILE 41 7.172 1.489 -7.074 322 HG13 ILE 41 3HG1 ILE 41 8.470 2.650 -7.309 323 HG21 ILE 41 1HG2 ILE 41 8.848 -0.928 -6.180 324 HG22 ILE 41 2HG2 ILE 41 7.437 -0.370 -5.281 325 HG23 ILE 41 3HG2 ILE 41 8.990 -0.558 -4.463 326 HD11 ILE 41 3HD1 ILE 41 9.817 0.928 -8.412 327 HD12 ILE 41 1HD1 ILE 41 8.263 1.165 -9.214 328 HD13 ILE 41 2HD1 ILE 41 8.514 -0.242 -8.181 329 H GLU 42 H GLU 42 10.729 2.589 -3.475 330 HA GLU 42 HA GLU 42 10.860 0.613 -1.500 331 HB2 GLU 42 2HB GLU 42 12.190 3.353 -1.601 332 HB3 GLU 42 3HB GLU 42 12.538 2.177 -0.341 333 HG2 GLU 42 2HG GLU 42 13.059 1.817 -3.302 334 HG3 GLU 42 3HG GLU 42 14.265 2.201 -2.075 335 H GLU 43 H GLU 43 9.819 3.990 -1.287 336 HA GLU 43 HA GLU 43 9.175 4.076 1.464 337 HB2 GLU 43 2HB GLU 43 8.124 5.782 -0.830 338 HB3 GLU 43 3HB GLU 43 7.959 6.167 0.886 339 HG2 GLU 43 2HG GLU 43 10.404 6.326 1.098 340 HG3 GLU 43 3HG GLU 43 10.590 5.918 -0.610 341 H PHE 44 H PHE 44 7.283 3.278 -1.424 342 HA PHE 44 HA PHE 44 4.707 3.181 -0.252 343 HB2 PHE 44 2HB PHE 44 5.070 3.299 -2.697 344 HB3 PHE 44 3HB PHE 44 5.839 1.718 -2.681 345 HD1 PHE 44 HD1 PHE 44 2.577 3.189 -1.452 346 HD2 PHE 44 HD2 PHE 44 4.509 0.014 -3.581 347 HE1 PHE 44 HE1 PHE 44 0.391 2.153 -1.909 348 HE2 PHE 44 HE2 PHE 44 2.320 -1.008 -4.021 349 HZ PHE 44 HZ PHE 44 0.264 0.052 -3.189 350 H GLU 45 H GLU 45 7.103 0.619 -0.944 351 HA GLU 45 HA GLU 45 5.772 -1.582 0.115 352 HB2 GLU 45 2HB GLU 45 8.765 -1.044 -0.026 353 HB3 GLU 45 3HB GLU 45 8.049 -2.624 0.311 354 HG2 GLU 45 2HG GLU 45 6.993 -2.613 -1.903 355 HG3 GLU 45 3HG GLU 45 7.703 -1.036 -2.245 356 H ARG 46 H ARG 46 8.385 0.299 1.678 357 HA ARG 46 HA ARG 46 8.398 -1.172 4.050 358 HB2 ARG 46 2HB ARG 46 9.837 0.564 5.002 359 HB3 ARG 46 3HB ARG 46 10.318 0.184 3.354 360 HG2 ARG 46 2HG ARG 46 9.274 2.240 2.541 361 HG3 ARG 46 3HG ARG 46 8.692 2.617 4.165 362 HD2 ARG 46 2HD ARG 46 11.622 2.355 3.399 363 HD3 ARG 46 3HD ARG 46 10.745 3.884 3.494 364 HE ARG 46 HE ARG 46 11.278 2.087 5.800 365 HH11 ARG 46 1HH1 ARG 46 10.732 5.343 4.541 366 HH12 ARG 46 2HH1 ARG 46 10.983 6.107 6.084 367 HH21 ARG 46 1HH2 ARG 46 11.573 3.112 7.811 368 HH22 ARG 46 2HH2 ARG 46 11.460 4.840 7.931 369 H ASP 47 H ASP 47 6.655 1.862 3.283 370 HA ASP 47 HA ASP 47 5.587 2.176 5.900 371 HB2 ASP 47 2HB ASP 47 5.774 3.999 4.141 372 HB3 ASP 47 3HB ASP 47 4.355 3.305 3.362 373 H MET 48 H MET 48 4.281 0.475 3.009 374 HA MET 48 HA MET 48 1.721 -0.103 4.153 375 HB2 MET 48 2HB MET 48 3.258 -1.375 1.862 376 HB3 MET 48 3HB MET 48 1.684 -1.982 2.371 377 HG2 MET 48 2HG MET 48 2.255 0.814 1.370 378 HG3 MET 48 3HG MET 48 1.471 -0.485 0.460 379 HE1 MET 48 3HE MET 48 -0.586 1.077 -0.081 380 HE2 MET 48 1HE MET 48 0.134 2.413 0.813 381 HE3 MET 48 2HE MET 48 -1.528 1.933 1.138 382 H GLU 49 H GLU 49 4.777 -1.869 4.045 383 HA GLU 49 HA GLU 49 4.041 -4.181 5.464 384 HB2 GLU 49 2HB GLU 49 6.740 -2.785 5.230 385 HB3 GLU 49 3HB GLU 49 6.516 -4.387 5.936 386 HG2 GLU 49 2HG GLU 49 5.733 -5.256 3.792 387 HG3 GLU 49 3HG GLU 49 5.838 -3.646 3.074 388 H ASP 50 H ASP 50 5.282 -1.013 6.483 389 HA ASP 50 HA ASP 50 5.643 -1.575 9.234 390 HB2 ASP 50 2HB ASP 50 6.671 0.380 8.036 391 HB3 ASP 50 3HB ASP 50 5.081 1.130 7.936 392 H LEU 51 H LEU 51 2.971 -0.220 7.376 393 HA LEU 51 HA LEU 51 1.126 0.305 9.403 394 HB2 LEU 51 2HB LEU 51 0.838 1.026 7.041 395 HB3 LEU 51 3HB LEU 51 0.597 -0.647 6.561 396 HG LEU 51 HG LEU 51 -1.478 -0.710 8.013 397 HD11 LEU 51 1HD1 LEU 51 -1.010 2.270 8.272 398 HD12 LEU 51 2HD1 LEU 51 -0.945 1.073 9.569 399 HD13 LEU 51 3HD1 LEU 51 -2.473 1.407 8.759 400 HD21 LEU 51 3HD2 LEU 51 -1.650 -0.374 5.597 401 HD22 LEU 51 1HD2 LEU 51 -1.500 1.373 5.816 402 HD23 LEU 51 2HD2 LEU 51 -2.905 0.516 6.457 403 H ALA 52 H ALA 52 1.581 -2.614 7.404 404 HA ALA 52 HA ALA 52 -0.381 -4.264 8.478 405 HB1 ALA 52 3HB ALA 52 0.842 -4.737 6.393 406 HB2 ALA 52 1HB ALA 52 0.884 -6.121 7.490 407 HB3 ALA 52 2HB ALA 52 2.303 -5.082 7.319 408 H LYS 53 H LYS 53 2.988 -3.852 9.503 409 HA LYS 53 HA LYS 53 3.126 -5.760 11.557 410 HB2 LYS 53 2HB LYS 53 4.579 -3.122 11.148 411 HB3 LYS 53 3HB LYS 53 5.003 -4.245 12.435 412 HG2 LYS 53 2HG LYS 53 5.942 -5.798 10.979 413 HG3 LYS 53 3HG LYS 53 4.945 -5.290 9.616 414 HD2 LYS 53 2HD LYS 53 7.336 -4.682 9.313 415 HD3 LYS 53 3HD LYS 53 6.268 -3.282 9.310 416 HE2 LYS 53 2HE LYS 53 6.907 -2.894 11.726 417 HE3 LYS 53 3HE LYS 53 8.105 -4.182 11.551 418 HZ1 LYS 53 3HZ LYS 53 8.005 -1.657 9.978 419 HZ2 LYS 53 1HZ LYS 53 9.129 -2.902 9.754 420 HZ3 LYS 53 2HZ LYS 53 9.111 -2.033 11.200 421 H LYS 54 H LYS 54 2.507 -2.245 11.800 422 HA LYS 54 HA LYS 54 2.073 -2.111 14.571 423 HB2 LYS 54 2HB LYS 54 1.055 -0.259 12.373 424 HB3 LYS 54 3HB LYS 54 1.038 0.129 14.093 425 HG2 LYS 54 2HG LYS 54 3.484 0.060 14.168 426 HG3 LYS 54 3HG LYS 54 3.550 -0.420 12.472 427 HD2 LYS 54 2HD LYS 54 2.557 2.244 13.569 428 HD3 LYS 54 3HD LYS 54 4.062 1.965 12.691 429 HE2 LYS 54 2HE LYS 54 2.615 1.209 10.719 430 HE3 LYS 54 3HE LYS 54 1.227 1.837 11.612 431 HZ1 LYS 54 3HZ LYS 54 3.599 3.386 10.704 432 HZ2 LYS 54 1HZ LYS 54 2.338 4.013 11.647 433 HZ3 LYS 54 2HZ LYS 54 2.031 3.477 10.074 434 H THR 55 H THR 55 -0.146 -2.874 11.954 435 HA THR 55 HA THR 55 -2.502 -2.766 13.712 436 HB THR 55 HB THR 55 -3.806 -3.165 11.627 437 HG1 THR 55 HG1 THR 55 -1.779 -2.706 9.862 438 HG21 THR 55 3HG2 THR 55 -3.279 -0.830 12.284 439 HG22 THR 55 1HG2 THR 55 -3.347 -1.000 10.527 440 HG23 THR 55 2HG2 THR 55 -1.785 -0.904 11.345 441 H GLY 56 H GLY 56 -0.204 -5.077 12.648 442 HA2 GLY 56 2HA GLY 56 -0.014 -7.312 13.142 443 HA3 GLY 56 3HA GLY 56 -1.561 -7.246 13.971 444 H VAL 57 H VAL 57 -1.380 -6.202 10.633 445 HA VAL 57 HA VAL 57 -2.855 -8.634 9.774 446 HB VAL 57 HB VAL 57 -3.911 -7.386 8.026 447 HG11 VAL 57 1HG1 VAL 57 -4.943 -7.095 10.223 448 HG12 VAL 57 2HG1 VAL 57 -5.170 -5.653 9.231 449 HG13 VAL 57 3HG1 VAL 57 -3.960 -5.657 10.521 450 HG21 VAL 57 3HG2 VAL 57 -2.140 -5.000 8.678 451 HG22 VAL 57 1HG2 VAL 57 -3.481 -4.994 7.525 452 HG23 VAL 57 2HG2 VAL 57 -2.063 -6.003 7.225 453 H GLN 58 H GLN 58 -2.484 -9.068 7.296 454 HA GLN 58 HA GLN 58 0.421 -8.898 6.682 455 HB2 GLN 58 2HB GLN 58 -1.620 -10.963 5.733 456 HB3 GLN 58 3HB GLN 58 0.084 -10.933 5.277 457 HG2 GLN 58 2HG GLN 58 0.730 -11.313 7.616 458 HG3 GLN 58 3HG GLN 58 -0.964 -11.305 8.102 459 HE21 GLN 58 1HE2 GLN 58 0.985 -13.386 8.492 460 HE22 GLN 58 2HE2 GLN 58 0.377 -14.795 7.702 461 H ILE 59 H ILE 59 0.893 -8.933 4.272 462 HA ILE 59 HA ILE 59 -1.074 -7.372 2.695 463 HB ILE 59 HB ILE 59 0.693 -6.097 1.643 464 HG12 ILE 59 2HG1 ILE 59 2.722 -7.664 3.311 465 HG13 ILE 59 3HG1 ILE 59 2.462 -7.856 1.581 466 HG21 ILE 59 1HG2 ILE 59 1.556 -4.760 3.509 467 HG22 ILE 59 2HG2 ILE 59 1.180 -6.061 4.641 468 HG23 ILE 59 3HG2 ILE 59 -0.124 -5.221 3.801 469 HD11 ILE 59 3HD1 ILE 59 3.212 -5.543 1.220 470 HD12 ILE 59 1HD1 ILE 59 4.437 -6.547 1.995 471 HD13 ILE 59 2HD1 ILE 59 3.521 -5.385 2.954 472 H GLN 60 H GLN 60 -0.559 -7.503 0.302 473 HA GLN 60 HA GLN 60 0.654 -10.056 -0.578 474 HB2 GLN 60 2HB GLN 60 -1.778 -10.408 -0.533 475 HB3 GLN 60 3HB GLN 60 -2.063 -8.894 -1.376 476 HG2 GLN 60 2HG GLN 60 -2.410 -10.721 -2.910 477 HG3 GLN 60 3HG GLN 60 -0.967 -9.840 -3.400 478 HE21 GLN 60 1HE2 GLN 60 1.050 -10.877 -3.251 479 HE22 GLN 60 2HE2 GLN 60 1.201 -12.577 -2.984 480 H LYS 61 H LYS 61 2.482 -9.099 -1.477 481 HA LYS 61 HA LYS 61 2.278 -6.782 -3.239 482 HB2 LYS 61 2HB LYS 61 4.645 -8.534 -2.465 483 HB3 LYS 61 3HB LYS 61 4.764 -7.205 -3.615 484 HG2 LYS 61 2HG LYS 61 4.036 -5.638 -1.815 485 HG3 LYS 61 3HG LYS 61 4.058 -6.988 -0.671 486 HD2 LYS 61 2HD LYS 61 6.466 -7.309 -1.059 487 HD3 LYS 61 3HD LYS 61 6.468 -6.042 -2.289 488 HE2 LYS 61 2HE LYS 61 5.904 -4.376 -0.557 489 HE3 LYS 61 3HE LYS 61 5.900 -5.651 0.668 490 HZ1 LYS 61 3HZ LYS 61 8.227 -6.051 0.224 491 HZ2 LYS 61 1HZ LYS 61 7.993 -4.424 0.626 492 HZ3 LYS 61 2HZ LYS 61 8.243 -4.870 -0.989 493 H GLN 62 H GLN 62 1.930 -6.926 -5.365 494 HA GLN 62 HA GLN 62 2.802 -9.275 -6.908 495 HB2 GLN 62 2HB GLN 62 0.368 -9.529 -6.480 496 HB3 GLN 62 3HB GLN 62 0.067 -7.913 -7.104 497 HG2 GLN 62 2HG GLN 62 -0.556 -9.544 -8.785 498 HG3 GLN 62 3HG GLN 62 0.860 -8.658 -9.347 499 HE21 GLN 62 1HE2 GLN 62 -0.320 -11.725 -8.173 500 HE22 GLN 62 2HE2 GLN 62 1.048 -12.663 -8.656 501 H TRP 63 H TRP 63 4.139 -8.543 -8.459 502 HA TRP 63 HA TRP 63 4.128 -5.749 -9.291 503 HB2 TRP 63 2HB TRP 63 5.963 -8.097 -9.923 504 HB3 TRP 63 3HB TRP 63 6.124 -6.528 -10.712 505 HD1 TRP 63 HD1 TRP 63 6.558 -8.171 -7.231 506 HE1 TRP 63 HE1 TRP 63 8.002 -6.607 -5.783 507 HE3 TRP 63 HE3 TRP 63 6.825 -4.144 -10.383 508 HZ2 TRP 63 HZ2 TRP 63 9.107 -4.023 -5.948 509 HZ3 TRP 63 HZ3 TRP 63 8.094 -2.162 -9.659 510 HH2 TRP 63 HH2 TRP 63 9.211 -2.107 -7.484 511 H GLN 64 H GLN 64 2.730 -5.164 -10.759 512 HA GLN 64 HA GLN 64 1.746 -6.969 -12.868 513 HB2 GLN 64 2HB GLN 64 0.075 -5.900 -11.364 514 HB3 GLN 64 3HB GLN 64 0.699 -4.311 -11.756 515 HG2 GLN 64 2HG GLN 64 -0.544 -6.095 -13.868 516 HG3 GLN 64 3HG GLN 64 -1.531 -5.070 -12.835 517 HE21 GLN 64 1HE2 GLN 64 -1.162 -2.757 -12.952 518 HE22 GLN 64 2HE2 GLN 64 -0.597 -2.045 -14.423 519 H GLY 65 H GLY 65 3.274 -6.845 -14.455 520 HA2 GLY 65 2HA GLY 65 4.548 -6.006 -16.173 521 HA3 GLY 65 3HA GLY 65 3.790 -4.439 -15.933 522 H ASN 66 H ASN 66 4.524 -3.196 -14.044 523 HA ASN 66 HA ASN 66 6.917 -3.815 -12.633 524 HB2 ASN 66 2HB ASN 66 7.673 -2.920 -15.026 525 HB3 ASN 66 3HB ASN 66 7.256 -1.345 -14.371 526 HD21 ASN 66 1HD2 ASN 66 8.450 -0.599 -12.482 527 HD22 ASN 66 2HD2 ASN 66 10.031 -1.216 -12.157 528 H LYS 67 H LYS 67 4.119 -3.058 -12.309 529 HA LYS 67 HA LYS 67 4.294 -0.544 -10.751 530 HB2 LYS 67 2HB LYS 67 1.779 -1.688 -12.078 531 HB3 LYS 67 3HB LYS 67 1.920 -0.152 -11.222 532 HG2 LYS 67 2HG LYS 67 3.256 -0.858 -13.857 533 HG3 LYS 67 3HG LYS 67 1.839 0.177 -13.652 534 HD2 LYS 67 2HD LYS 67 3.208 1.805 -12.389 535 HD3 LYS 67 3HD LYS 67 4.623 0.764 -12.556 536 HE2 LYS 67 2HE LYS 67 4.649 2.636 -14.176 537 HE3 LYS 67 3HE LYS 67 4.597 1.073 -14.985 538 HZ1 LYS 67 3HZ LYS 67 2.226 1.372 -15.348 539 HZ2 LYS 67 1HZ LYS 67 3.095 2.658 -16.017 540 HZ3 LYS 67 2HZ LYS 67 2.262 2.872 -14.561 541 H LEU 68 H LEU 68 3.958 -0.881 -8.617 542 HA LEU 68 HA LEU 68 3.671 -3.680 -7.806 543 HB2 LEU 68 2HB LEU 68 5.586 -2.460 -6.925 544 HB3 LEU 68 3HB LEU 68 4.525 -1.255 -6.206 545 HG LEU 68 HG LEU 68 3.591 -2.986 -4.669 546 HD11 LEU 68 1HD1 LEU 68 4.627 -5.198 -4.465 547 HD12 LEU 68 2HD1 LEU 68 5.647 -4.865 -5.870 548 HD13 LEU 68 3HD1 LEU 68 3.895 -4.980 -6.054 549 HD21 LEU 68 3HD2 LEU 68 5.449 -1.596 -3.944 550 HD22 LEU 68 1HD2 LEU 68 6.605 -2.776 -4.569 551 HD23 LEU 68 2HD2 LEU 68 5.538 -3.202 -3.225 552 H ARG 69 H ARG 69 1.659 -4.307 -7.589 553 HA ARG 69 HA ARG 69 -0.395 -2.704 -6.273 554 HB2 ARG 69 2HB ARG 69 -0.971 -3.947 -8.321 555 HB3 ARG 69 3HB ARG 69 -0.486 -5.463 -7.563 556 HG2 ARG 69 2HG ARG 69 -2.331 -5.273 -5.951 557 HG3 ARG 69 3HG ARG 69 -2.777 -3.700 -6.622 558 HD2 ARG 69 2HD ARG 69 -2.871 -6.360 -8.082 559 HD3 ARG 69 3HD ARG 69 -4.260 -5.467 -7.450 560 HE ARG 69 HE ARG 69 -2.527 -4.182 -9.453 561 HH11 ARG 69 1HH1 ARG 69 -5.672 -5.591 -8.708 562 HH12 ARG 69 2HH1 ARG 69 -6.410 -4.956 -10.140 563 HH21 ARG 69 1HH2 ARG 69 -3.515 -3.366 -11.300 564 HH22 ARG 69 2HH2 ARG 69 -5.192 -3.696 -11.610 565 H ILE 70 H ILE 70 -0.488 -2.778 -4.101 566 HA ILE 70 HA ILE 70 0.175 -5.291 -2.679 567 HB ILE 70 HB ILE 70 0.317 -2.439 -1.588 568 HG12 ILE 70 2HG1 ILE 70 2.510 -4.477 -2.211 569 HG13 ILE 70 3HG1 ILE 70 2.236 -2.949 -3.038 570 HG21 ILE 70 1HG2 ILE 70 1.156 -3.455 0.505 571 HG22 ILE 70 2HG2 ILE 70 0.914 -5.068 -0.171 572 HG23 ILE 70 3HG2 ILE 70 -0.474 -4.022 0.137 573 HD11 ILE 70 3HD1 ILE 70 2.858 -1.743 -0.986 574 HD12 ILE 70 1HD1 ILE 70 4.144 -2.800 -1.570 575 HD13 ILE 70 2HD1 ILE 70 3.170 -3.285 -0.183 576 H ARG 71 H ARG 71 -1.626 -6.333 -2.127 577 HA ARG 71 HA ARG 71 -4.097 -4.914 -1.452 578 HB2 ARG 71 2HB ARG 71 -4.319 -6.842 -2.967 579 HB3 ARG 71 3HB ARG 71 -3.519 -7.891 -1.799 580 HG2 ARG 71 2HG ARG 71 -5.433 -7.456 -0.207 581 HG3 ARG 71 3HG ARG 71 -6.240 -6.570 -1.502 582 HD2 ARG 71 2HD ARG 71 -5.408 -9.485 -1.679 583 HD3 ARG 71 3HD ARG 71 -7.022 -8.943 -1.214 584 HE ARG 71 HE ARG 71 -6.637 -7.730 -3.597 585 HH11 ARG 71 1HH1 ARG 71 -6.347 -11.109 -2.634 586 HH12 ARG 71 2HH1 ARG 71 -6.788 -11.704 -4.202 587 HH21 ARG 71 1HH2 ARG 71 -7.263 -8.534 -5.609 588 HH22 ARG 71 2HH2 ARG 71 -7.307 -10.245 -5.888 589 H LEU 72 H LEU 72 -4.530 -4.499 0.561 590 HA LEU 72 HA LEU 72 -2.981 -5.570 2.820 591 HB2 LEU 72 2HB LEU 72 -4.883 -3.193 2.677 592 HB3 LEU 72 3HB LEU 72 -3.782 -3.573 3.995 593 HG LEU 72 HG LEU 72 -2.865 -2.791 1.196 594 HD11 LEU 72 1HD1 LEU 72 -3.097 -1.041 3.652 595 HD12 LEU 72 2HD1 LEU 72 -4.098 -0.949 2.199 596 HD13 LEU 72 3HD1 LEU 72 -2.378 -0.582 2.102 597 HD21 LEU 72 3HD2 LEU 72 -1.332 -2.998 3.808 598 HD22 LEU 72 1HD2 LEU 72 -0.687 -2.383 2.280 599 HD23 LEU 72 2HD2 LEU 72 -1.185 -4.067 2.410 600 H LYS 73 H LYS 73 -4.035 -6.881 4.314 601 HA LYS 73 HA LYS 73 -6.961 -7.253 3.988 602 HB2 LYS 73 2HB LYS 73 -6.655 -9.535 4.833 603 HB3 LYS 73 3HB LYS 73 -5.757 -9.223 3.352 604 HG2 LYS 73 2HG LYS 73 -3.693 -8.890 4.808 605 HG3 LYS 73 3HG LYS 73 -4.651 -9.496 6.162 606 HD2 LYS 73 2HD LYS 73 -3.372 -11.323 5.251 607 HD3 LYS 73 3HD LYS 73 -5.078 -11.580 4.866 608 HE2 LYS 73 2HE LYS 73 -4.643 -10.614 2.590 609 HE3 LYS 73 3HE LYS 73 -2.932 -10.519 3.003 610 HZ1 LYS 73 3HZ LYS 73 -4.560 -13.001 2.878 611 HZ2 LYS 73 1HZ LYS 73 -2.917 -12.928 3.260 612 HZ3 LYS 73 2HZ LYS 73 -3.446 -12.498 1.714 613 H GLY 74 H GLY 74 -7.340 -5.521 5.293 614 HA2 GLY 74 2HA GLY 74 -6.628 -5.028 7.939 615 HA3 GLY 74 3HA GLY 74 -8.146 -4.529 7.213 616 H SER 75 H SER 75 -9.289 -7.011 6.701 617 HA SER 75 HA SER 75 -9.651 -8.218 9.387 618 HB2 SER 75 2HB SER 75 -11.818 -9.093 8.447 619 HB3 SER 75 3HB SER 75 -11.739 -7.334 8.495 620 HG SER 75 HG SER 75 -10.801 -8.227 6.136 621 H LEU 76 H LEU 76 -7.812 -9.498 9.284 622 HA LEU 76 HA LEU 76 -7.189 -11.313 7.150 623 HB2 LEU 76 2HB LEU 76 -5.682 -10.247 9.103 624 HB3 LEU 76 3HB LEU 76 -6.137 -11.699 9.964 625 HG LEU 76 HG LEU 76 -4.565 -11.566 7.363 626 HD11 LEU 76 1HD1 LEU 76 -2.676 -12.396 8.690 627 HD12 LEU 76 2HD1 LEU 76 -3.667 -12.334 10.153 628 HD13 LEU 76 3HD1 LEU 76 -3.265 -10.846 9.290 629 HD21 LEU 76 3HD2 LEU 76 -5.930 -13.601 7.369 630 HD22 LEU 76 1HD2 LEU 76 -5.302 -14.039 8.960 631 HD23 LEU 76 2HD2 LEU 76 -4.224 -13.991 7.561 632 H GLU 77 H GLU 77 -7.798 -12.274 10.562 633 HA GLU 77 HA GLU 77 -10.220 -13.692 9.886 634 HB2 GLU 77 2HB GLU 77 -9.192 -15.805 11.239 635 HB3 GLU 77 3HB GLU 77 -9.168 -15.678 9.491 636 HG2 GLU 77 2HG GLU 77 -7.033 -16.492 10.316 637 HG3 GLU 77 3HG GLU 77 -6.848 -14.928 9.535 638 H HIS 78 H HIS 78 -8.510 -14.642 12.849 639 HA HIS 78 HA HIS 78 -10.433 -12.979 14.360 640 HB2 HIS 78 2HB HIS 78 -11.242 -14.851 15.629 641 HB3 HIS 78 3HB HIS 78 -11.349 -15.315 13.937 642 HD1 HIS 78 HD1 HIS 78 -9.972 -16.363 17.162 643 HD2 HIS 78 HD2 HIS 78 -9.236 -17.216 13.149 644 HE1 HIS 78 HE1 HIS 78 -8.665 -18.508 17.151 645 HE2 HIS 78 HE2 HIS 78 -8.180 -18.969 14.727 646 H HIS 79 H HIS 79 -7.162 -13.999 14.142 647 HA HIS 79 HA HIS 79 -6.686 -14.481 16.918 648 HB2 HIS 79 2HB HIS 79 -4.446 -14.856 16.436 649 HB3 HIS 79 3HB HIS 79 -5.203 -15.238 14.908 650 HD1 HIS 79 HD1 HIS 79 -4.326 -14.003 12.864 651 HD2 HIS 79 HD2 HIS 79 -2.886 -12.412 16.420 652 HE1 HIS 79 HE1 HIS 79 -2.530 -12.374 12.206 653 HE2 HIS 79 HE2 HIS 79 -1.508 -11.636 14.389 654 H HIS 80 H HIS 80 -6.642 -13.088 18.536 655 HA HIS 80 HA HIS 80 -6.438 -10.186 18.034 656 HB2 HIS 80 2HB HIS 80 -7.275 -11.654 20.579 657 HB3 HIS 80 3HB HIS 80 -7.360 -9.915 20.311 658 HD1 HIS 80 HD1 HIS 80 -9.055 -9.196 18.263 659 HD2 HIS 80 HD2 HIS 80 -9.547 -12.975 19.899 660 HE1 HIS 80 HE1 HIS 80 -11.320 -9.965 17.515 661 HE2 HIS 80 HE2 HIS 80 -11.508 -12.323 18.378 662 H HIS 81 H HIS 81 -4.339 -12.598 18.629 663 HA HIS 81 HA HIS 81 -2.545 -11.640 20.563 664 HB2 HIS 81 2HB HIS 81 -2.385 -13.883 19.454 665 HB3 HIS 81 3HB HIS 81 -1.897 -13.101 17.955 666 HD1 HIS 81 HD1 HIS 81 0.566 -13.087 17.613 667 HD2 HIS 81 HD2 HIS 81 -0.419 -13.219 21.649 668 HE1 HIS 81 HE1 HIS 81 2.748 -13.301 18.838 669 HE2 HIS 81 HE2 HIS 81 2.121 -13.362 21.274 670 H HIS 82 H HIS 82 -1.209 -9.932 20.579 671 HA HIS 82 HA HIS 82 -1.562 -7.628 19.244 672 HB2 HIS 82 2HB HIS 82 -0.218 -7.855 21.282 673 HB3 HIS 82 3HB HIS 82 1.068 -8.654 20.385 674 HD1 HIS 82 HD1 HIS 82 2.902 -7.149 19.578 675 HD2 HIS 82 HD2 HIS 82 -0.561 -5.024 20.466 676 HE1 HIS 82 HE1 HIS 82 3.521 -4.725 19.366 677 HE2 HIS 82 HE2 HIS 82 1.369 -3.478 19.739 678 H HIS 83 H HIS 83 0.924 -10.022 18.361 679 HA HIS 83 HA HIS 83 0.734 -9.200 15.551 680 HB2 HIS 83 2HB HIS 83 2.739 -8.041 16.604 681 HB3 HIS 83 3HB HIS 83 3.410 -9.628 16.967 682 HD1 HIS 83 HD1 HIS 83 5.231 -10.111 15.354 683 HD2 HIS 83 HD2 HIS 83 2.104 -8.040 13.567 684 HE1 HIS 83 HE1 HIS 83 5.899 -9.819 12.953 685 HE2 HIS 83 HE2 HIS 83 3.936 -8.679 11.866 Start of MODEL 2 1 H1 MET 1 1H MET 1 -21.464 -3.195 3.878 2 H2 MET 1 2H MET 1 -19.952 -3.166 4.632 3 H3 MET 1 3H MET 1 -20.284 -4.319 3.446 4 HA MET 1 HA MET 1 -20.399 -2.694 1.746 5 HB2 MET 1 2HB MET 1 -19.947 -0.288 2.251 6 HB3 MET 1 3HB MET 1 -21.414 -0.872 3.020 7 HG2 MET 1 2HG MET 1 -18.757 -0.540 4.430 8 HG3 MET 1 3HG MET 1 -20.071 0.635 4.455 9 HE1 MET 1 3HE MET 1 -22.431 0.216 5.647 10 HE2 MET 1 1HE MET 1 -22.866 -1.293 6.448 11 HE3 MET 1 2HE MET 1 -22.690 -1.246 4.694 12 H GLY 2 H GLY 2 -18.530 -4.505 3.090 13 HA2 GLY 2 2HA GLY 2 -15.927 -3.199 3.137 14 HA3 GLY 2 3HA GLY 2 -16.280 -4.874 3.512 15 H LEU 3 H LEU 3 -16.390 -2.670 0.712 16 HA LEU 3 HA LEU 3 -15.692 -4.802 -1.128 17 HB2 LEU 3 2HB LEU 3 -15.762 -2.779 -2.833 18 HB3 LEU 3 3HB LEU 3 -17.230 -3.474 -2.191 19 HG LEU 3 HG LEU 3 -17.241 -1.532 -0.479 20 HD11 LEU 3 1HD1 LEU 3 -14.952 -0.713 -0.756 21 HD12 LEU 3 2HD1 LEU 3 -16.132 0.547 -1.097 22 HD13 LEU 3 3HD1 LEU 3 -15.298 -0.258 -2.429 23 HD21 LEU 3 3HD2 LEU 3 -18.406 -0.026 -2.024 24 HD22 LEU 3 1HD2 LEU 3 -18.836 -1.706 -2.339 25 HD23 LEU 3 2HD2 LEU 3 -17.708 -0.869 -3.408 26 H THR 4 H THR 4 -13.718 -5.380 -1.609 27 HA THR 4 HA THR 4 -11.368 -3.837 -0.881 28 HB THR 4 HB THR 4 -11.551 -6.517 -2.344 29 HG1 THR 4 HG1 THR 4 -11.687 -5.799 0.384 30 HG21 THR 4 3HG2 THR 4 -9.297 -5.503 -2.514 31 HG22 THR 4 1HG2 THR 4 -9.279 -6.920 -1.462 32 HG23 THR 4 2HG2 THR 4 -9.249 -5.302 -0.759 33 H ARG 5 H ARG 5 -12.191 -2.093 -2.281 34 HA ARG 5 HA ARG 5 -12.163 -2.230 -5.112 35 HB2 ARG 5 2HB ARG 5 -12.434 0.156 -5.104 36 HB3 ARG 5 3HB ARG 5 -13.341 -0.466 -3.733 37 HG2 ARG 5 2HG ARG 5 -11.461 0.210 -2.228 38 HG3 ARG 5 3HG ARG 5 -10.629 0.891 -3.626 39 HD2 ARG 5 2HD ARG 5 -12.717 2.368 -3.957 40 HD3 ARG 5 3HD ARG 5 -13.201 1.839 -2.338 41 HE ARG 5 HE ARG 5 -10.525 2.852 -2.375 42 HH11 ARG 5 1HH1 ARG 5 -13.889 3.909 -2.275 43 HH12 ARG 5 2HH1 ARG 5 -13.507 5.428 -1.522 44 HH21 ARG 5 1HH2 ARG 5 -10.042 4.866 -1.421 45 HH22 ARG 5 2HH2 ARG 5 -11.328 5.969 -1.044 46 H THR 6 H THR 6 -10.689 -0.836 -6.493 47 HA THR 6 HA THR 6 -7.863 -1.297 -5.773 48 HB THR 6 HB THR 6 -9.127 -1.120 -8.540 49 HG1 THR 6 HG1 THR 6 -8.948 -3.171 -6.881 50 HG21 THR 6 3HG2 THR 6 -6.231 -1.623 -7.741 51 HG22 THR 6 1HG2 THR 6 -6.846 -0.202 -8.581 52 HG23 THR 6 2HG2 THR 6 -6.875 -1.777 -9.376 53 H ILE 7 H ILE 7 -6.779 0.500 -5.311 54 HA ILE 7 HA ILE 7 -7.685 3.128 -6.354 55 HB ILE 7 HB ILE 7 -5.897 2.517 -3.945 56 HG12 ILE 7 2HG1 ILE 7 -8.828 3.380 -4.020 57 HG13 ILE 7 3HG1 ILE 7 -8.238 1.788 -3.560 58 HG21 ILE 7 1HG2 ILE 7 -7.098 5.165 -4.844 59 HG22 ILE 7 2HG2 ILE 7 -5.399 4.703 -4.974 60 HG23 ILE 7 3HG2 ILE 7 -6.136 4.901 -3.386 61 HD11 ILE 7 3HD1 ILE 7 -8.848 3.080 -1.627 62 HD12 ILE 7 1HD1 ILE 7 -7.726 4.362 -2.083 63 HD13 ILE 7 2HD1 ILE 7 -7.113 2.768 -1.626 64 H THR 8 H THR 8 -6.580 3.457 -8.233 65 HA THR 8 HA THR 8 -3.747 2.680 -8.500 66 HB THR 8 HB THR 8 -4.139 3.244 -10.958 67 HG1 THR 8 HG1 THR 8 -6.335 3.477 -11.610 68 HG21 THR 8 3HG2 THR 8 -5.493 1.248 -11.475 69 HG22 THR 8 1HG2 THR 8 -6.035 1.170 -9.796 70 HG23 THR 8 2HG2 THR 8 -4.335 0.907 -10.189 71 H SER 9 H SER 9 -2.456 4.258 -7.678 72 HA SER 9 HA SER 9 -2.874 7.062 -8.487 73 HB2 SER 9 2HB SER 9 -3.863 6.810 -6.219 74 HB3 SER 9 3HB SER 9 -2.330 6.174 -5.624 75 HG SER 9 HG SER 9 -3.094 8.719 -5.857 76 H GLN 10 H GLN 10 -1.048 8.220 -8.776 77 HA GLN 10 HA GLN 10 1.550 6.874 -8.812 78 HB2 GLN 10 2HB GLN 10 0.674 9.631 -9.798 79 HB3 GLN 10 3HB GLN 10 2.287 8.953 -10.016 80 HG2 GLN 10 2HG GLN 10 1.342 7.130 -11.387 81 HG3 GLN 10 3HG GLN 10 -0.272 7.791 -11.141 82 HE21 GLN 10 1HE2 GLN 10 -0.455 7.867 -13.435 83 HE22 GLN 10 2HE2 GLN 10 0.267 9.153 -14.339 84 H ASN 11 H ASN 11 -0.223 8.619 -6.578 85 HA ASN 11 HA ASN 11 2.168 9.694 -5.204 86 HB2 ASN 11 2HB ASN 11 0.365 11.360 -5.565 87 HB3 ASN 11 3HB ASN 11 -0.797 10.309 -4.761 88 HD21 ASN 11 1HD2 ASN 11 -1.263 11.875 -3.167 89 HD22 ASN 11 2HD2 ASN 11 -0.142 12.278 -1.912 90 H LYS 12 H LYS 12 2.984 8.201 -3.823 91 HA LYS 12 HA LYS 12 1.365 6.040 -2.820 92 HB2 LYS 12 2HB LYS 12 3.508 5.212 -1.790 93 HB3 LYS 12 3HB LYS 12 3.502 5.377 -3.533 94 HG2 LYS 12 2HG LYS 12 5.624 6.111 -2.921 95 HG3 LYS 12 3HG LYS 12 4.734 7.616 -3.155 96 HD2 LYS 12 2HD LYS 12 4.486 7.899 -0.754 97 HD3 LYS 12 3HD LYS 12 5.177 6.300 -0.455 98 HE2 LYS 12 2HE LYS 12 6.816 8.070 -0.013 99 HE3 LYS 12 3HE LYS 12 7.341 7.052 -1.351 100 HZ1 LYS 12 3HZ LYS 12 6.521 8.758 -2.874 101 HZ2 LYS 12 1HZ LYS 12 7.726 9.342 -1.850 102 HZ3 LYS 12 2HZ LYS 12 6.111 9.741 -1.562 103 H GLU 13 H GLU 13 2.287 9.143 -1.572 104 HA GLU 13 HA GLU 13 2.144 8.728 1.204 105 HB2 GLU 13 2HB GLU 13 1.590 11.113 -0.595 106 HB3 GLU 13 3HB GLU 13 1.185 11.210 1.112 107 HG2 GLU 13 2HG GLU 13 3.306 12.233 0.858 108 HG3 GLU 13 3HG GLU 13 3.592 10.687 1.646 109 H GLU 14 H GLU 14 -0.444 9.766 -1.044 110 HA GLU 14 HA GLU 14 -2.547 9.658 0.834 111 HB2 GLU 14 2HB GLU 14 -4.083 9.906 -1.049 112 HB3 GLU 14 3HB GLU 14 -2.708 10.982 -1.249 113 HG2 GLU 14 2HG GLU 14 -1.724 9.397 -2.882 114 HG3 GLU 14 3HG GLU 14 -3.121 8.347 -2.677 115 H LEU 15 H LEU 15 -1.096 7.188 -1.174 116 HA LEU 15 HA LEU 15 -3.143 5.229 -0.996 117 HB2 LEU 15 2HB LEU 15 -0.146 4.971 -1.449 118 HB3 LEU 15 3HB LEU 15 -1.225 3.585 -1.466 119 HG LEU 15 HG LEU 15 -1.382 5.943 -3.390 120 HD11 LEU 15 1HD1 LEU 15 -0.612 4.375 -5.114 121 HD12 LEU 15 2HD1 LEU 15 -0.440 3.101 -3.902 122 HD13 LEU 15 3HD1 LEU 15 0.584 4.536 -3.828 123 HD21 LEU 15 3HD2 LEU 15 -3.003 3.383 -3.310 124 HD22 LEU 15 1HD2 LEU 15 -3.056 4.596 -4.590 125 HD23 LEU 15 2HD2 LEU 15 -3.590 5.011 -2.965 126 H LEU 16 H LEU 16 -0.485 6.144 1.158 127 HA LEU 16 HA LEU 16 -0.723 3.918 2.980 128 HB2 LEU 16 2HB LEU 16 0.508 6.669 3.463 129 HB3 LEU 16 3HB LEU 16 0.749 5.248 4.471 130 HG LEU 16 HG LEU 16 1.658 5.491 1.588 131 HD11 LEU 16 1HD1 LEU 16 3.286 5.766 4.128 132 HD12 LEU 16 2HD1 LEU 16 2.874 7.055 2.994 133 HD13 LEU 16 3HD1 LEU 16 3.928 5.742 2.482 134 HD21 LEU 16 3HD2 LEU 16 1.228 3.167 2.198 135 HD22 LEU 16 1HD2 LEU 16 2.249 3.324 3.629 136 HD23 LEU 16 2HD2 LEU 16 2.957 3.442 2.016 137 H GLU 17 H GLU 17 -1.905 7.259 2.915 138 HA GLU 17 HA GLU 17 -3.137 7.328 5.460 139 HB2 GLU 17 2HB GLU 17 -3.845 8.912 2.958 140 HB3 GLU 17 3HB GLU 17 -4.348 9.317 4.597 141 HG2 GLU 17 2HG GLU 17 -2.005 9.680 5.253 142 HG3 GLU 17 3HG GLU 17 -1.469 9.230 3.634 143 H ILE 18 H ILE 18 -4.621 6.774 2.244 144 HA ILE 18 HA ILE 18 -7.258 6.253 3.244 145 HB ILE 18 HB ILE 18 -6.126 5.532 0.480 146 HG12 ILE 18 2HG1 ILE 18 -7.612 8.091 1.292 147 HG13 ILE 18 3HG1 ILE 18 -5.870 7.988 1.077 148 HG21 ILE 18 1HG2 ILE 18 -8.483 5.609 -0.281 149 HG22 ILE 18 2HG2 ILE 18 -9.015 5.931 1.370 150 HG23 ILE 18 3HG2 ILE 18 -8.258 4.388 0.975 151 HD11 ILE 18 3HD1 ILE 18 -7.931 7.556 -1.080 152 HD12 ILE 18 1HD1 ILE 18 -6.180 7.457 -1.283 153 HD13 ILE 18 2HD1 ILE 18 -6.932 8.989 -0.847 154 H ALA 19 H ALA 19 -4.432 4.231 2.530 155 HA ALA 19 HA ALA 19 -5.498 1.667 2.816 156 HB1 ALA 19 3HB ALA 19 -2.831 2.700 3.839 157 HB2 ALA 19 1HB ALA 19 -3.158 2.033 2.240 158 HB3 ALA 19 2HB ALA 19 -3.268 0.996 3.660 159 H LEU 20 H LEU 20 -4.025 3.673 5.375 160 HA LEU 20 HA LEU 20 -4.664 2.096 7.587 161 HB2 LEU 20 2HB LEU 20 -2.984 3.870 7.711 162 HB3 LEU 20 3HB LEU 20 -4.198 5.097 7.386 163 HG LEU 20 HG LEU 20 -5.268 4.602 9.597 164 HD11 LEU 20 1HD1 LEU 20 -4.131 3.264 11.289 165 HD12 LEU 20 2HD1 LEU 20 -2.910 2.772 10.114 166 HD13 LEU 20 3HD1 LEU 20 -4.592 2.280 9.903 167 HD21 LEU 20 3HD2 LEU 20 -3.582 5.702 11.000 168 HD22 LEU 20 1HD2 LEU 20 -3.685 6.452 9.407 169 HD23 LEU 20 2HD2 LEU 20 -2.339 5.376 9.789 170 H LYS 21 H LYS 21 -6.552 4.523 5.898 171 HA LYS 21 HA LYS 21 -8.668 4.909 7.714 172 HB2 LYS 21 2HB LYS 21 -8.264 6.360 5.764 173 HB3 LYS 21 3HB LYS 21 -8.655 5.043 4.662 174 HG2 LYS 21 2HG LYS 21 -10.982 5.054 5.440 175 HG3 LYS 21 3HG LYS 21 -10.602 6.310 6.624 176 HD2 LYS 21 2HD LYS 21 -10.034 7.874 4.781 177 HD3 LYS 21 3HD LYS 21 -10.409 6.618 3.599 178 HE2 LYS 21 2HE LYS 21 -12.745 6.602 4.301 179 HE3 LYS 21 3HE LYS 21 -12.396 7.765 5.583 180 HZ1 LYS 21 3HZ LYS 21 -12.105 8.292 2.673 181 HZ2 LYS 21 1HZ LYS 21 -11.820 9.402 3.919 182 HZ3 LYS 21 2HZ LYS 21 -13.383 8.823 3.644 183 H PHE 22 H PHE 22 -8.254 2.515 5.091 184 HA PHE 22 HA PHE 22 -10.841 1.266 5.487 185 HB2 PHE 22 2HB PHE 22 -8.438 0.667 3.750 186 HB3 PHE 22 3HB PHE 22 -9.613 -0.614 4.016 187 HD1 PHE 22 HD1 PHE 22 -9.517 3.020 2.983 188 HD2 PHE 22 HD2 PHE 22 -11.411 -0.793 2.516 189 HE1 PHE 22 HE1 PHE 22 -10.945 3.935 1.196 190 HE2 PHE 22 HE2 PHE 22 -12.825 0.136 0.729 191 HZ PHE 22 HZ PHE 22 -12.596 2.493 0.075 192 H ILE 23 H ILE 23 -7.530 0.639 6.595 193 HA ILE 23 HA ILE 23 -8.073 -1.984 7.637 194 HB ILE 23 HB ILE 23 -5.748 -0.149 8.426 195 HG12 ILE 23 2HG1 ILE 23 -5.746 -0.403 5.975 196 HG13 ILE 23 3HG1 ILE 23 -4.392 -1.269 6.672 197 HG21 ILE 23 1HG2 ILE 23 -6.012 -3.183 8.569 198 HG22 ILE 23 2HG2 ILE 23 -6.019 -2.063 9.934 199 HG23 ILE 23 3HG2 ILE 23 -4.561 -2.257 8.963 200 HD11 ILE 23 3HD1 ILE 23 -5.368 -2.506 4.849 201 HD12 ILE 23 1HD1 ILE 23 -6.950 -2.486 5.627 202 HD13 ILE 23 2HD1 ILE 23 -5.617 -3.383 6.357 203 H SER 24 H SER 24 -8.084 1.316 8.929 204 HA SER 24 HA SER 24 -8.519 0.766 11.667 205 HB2 SER 24 2HB SER 24 -7.782 2.980 10.788 206 HB3 SER 24 3HB SER 24 -9.370 3.220 10.063 207 HG SER 24 HG SER 24 -9.637 2.611 12.675 208 H GLN 25 H GLN 25 -10.682 0.738 8.946 209 HA GLN 25 HA GLN 25 -13.121 0.478 10.554 210 HB2 GLN 25 2HB GLN 25 -12.644 0.240 7.554 211 HB3 GLN 25 3HB GLN 25 -14.227 0.226 8.329 212 HG2 GLN 25 2HG GLN 25 -13.935 2.526 9.076 213 HG3 GLN 25 3HG GLN 25 -12.284 2.543 8.444 214 HE21 GLN 25 1HE2 GLN 25 -11.972 2.677 6.189 215 HE22 GLN 25 2HE2 GLN 25 -13.236 3.161 5.114 216 H GLY 26 H GLY 26 -10.628 -1.546 9.527 217 HA2 GLY 26 2HA GLY 26 -10.283 -3.815 9.559 218 HA3 GLY 26 3HA GLY 26 -11.893 -4.017 10.247 219 H LEU 27 H LEU 27 -10.740 -2.601 7.196 220 HA LEU 27 HA LEU 27 -12.393 -4.497 5.636 221 HB2 LEU 27 2HB LEU 27 -11.712 -1.601 4.941 222 HB3 LEU 27 3HB LEU 27 -12.652 -2.698 3.940 223 HG LEU 27 HG LEU 27 -13.474 -1.530 6.619 224 HD11 LEU 27 1HD1 LEU 27 -13.612 0.079 4.803 225 HD12 LEU 27 2HD1 LEU 27 -15.225 -0.381 5.335 226 HD13 LEU 27 3HD1 LEU 27 -14.573 -1.044 3.835 227 HD21 LEU 27 3HD2 LEU 27 -14.969 -3.522 4.898 228 HD22 LEU 27 1HD2 LEU 27 -15.663 -2.644 6.265 229 HD23 LEU 27 2HD2 LEU 27 -14.341 -3.779 6.526 230 H ASP 28 H ASP 28 -11.363 -5.589 4.051 231 HA ASP 28 HA ASP 28 -8.566 -5.296 3.499 232 HB2 ASP 28 2HB ASP 28 -10.771 -6.882 2.101 233 HB3 ASP 28 3HB ASP 28 -9.088 -6.913 1.579 234 H LEU 29 H LEU 29 -7.606 -4.314 1.774 235 HA LEU 29 HA LEU 29 -9.178 -2.775 -0.181 236 HB2 LEU 29 2HB LEU 29 -8.745 -1.188 1.688 237 HB3 LEU 29 3HB LEU 29 -7.033 -1.584 1.655 238 HG LEU 29 HG LEU 29 -6.894 -0.615 -0.663 239 HD11 LEU 29 1HD1 LEU 29 -9.731 0.323 -0.168 240 HD12 LEU 29 2HD1 LEU 29 -9.219 -0.878 -1.359 241 HD13 LEU 29 3HD1 LEU 29 -8.695 0.794 -1.516 242 HD21 LEU 29 3HD2 LEU 29 -6.221 0.708 1.281 243 HD22 LEU 29 1HD2 LEU 29 -7.871 1.308 1.470 244 HD23 LEU 29 2HD2 LEU 29 -6.931 1.733 0.038 245 H GLU 30 H GLU 30 -8.046 -2.601 -2.187 246 HA GLU 30 HA GLU 30 -5.255 -3.646 -2.195 247 HB2 GLU 30 2HB GLU 30 -6.962 -5.235 -3.189 248 HB3 GLU 30 3HB GLU 30 -7.323 -4.021 -4.412 249 HG2 GLU 30 2HG GLU 30 -5.092 -4.188 -5.332 250 HG3 GLU 30 3HG GLU 30 -4.555 -5.194 -4.000 251 H VAL 31 H VAL 31 -3.910 -2.090 -2.686 252 HA VAL 31 HA VAL 31 -4.747 0.204 -4.373 253 HB VAL 31 HB VAL 31 -2.714 1.365 -3.436 254 HG11 VAL 31 1HG1 VAL 31 -4.915 1.818 -2.463 255 HG12 VAL 31 2HG1 VAL 31 -3.671 1.865 -1.214 256 HG13 VAL 31 3HG1 VAL 31 -4.733 0.458 -1.346 257 HG21 VAL 31 3HG2 VAL 31 -2.539 -1.022 -1.551 258 HG22 VAL 31 1HG2 VAL 31 -1.596 0.468 -1.419 259 HG23 VAL 31 2HG2 VAL 31 -1.372 -0.598 -2.805 260 H GLU 32 H GLU 32 -3.570 0.674 -6.203 261 HA GLU 32 HA GLU 32 -1.259 -1.016 -6.903 262 HB2 GLU 32 2HB GLU 32 -3.177 -1.455 -8.404 263 HB3 GLU 32 3HB GLU 32 -3.275 0.256 -8.808 264 HG2 GLU 32 2HG GLU 32 -1.123 0.181 -9.928 265 HG3 GLU 32 3HG GLU 32 -0.830 -1.470 -9.383 266 H PHE 33 H PHE 33 0.544 0.144 -6.659 267 HA PHE 33 HA PHE 33 0.529 3.040 -6.834 268 HB2 PHE 33 2HB PHE 33 1.870 1.912 -5.075 269 HB3 PHE 33 3HB PHE 33 2.819 1.087 -6.311 270 HD1 PHE 33 HD1 PHE 33 1.691 4.664 -6.142 271 HD2 PHE 33 HD2 PHE 33 5.003 1.955 -6.029 272 HE1 PHE 33 HE1 PHE 33 3.247 6.558 -6.177 273 HE2 PHE 33 HE2 PHE 33 6.550 3.864 -6.062 274 HZ PHE 33 HZ PHE 33 5.671 6.161 -6.147 275 H ASP 34 H ASP 34 0.441 3.834 -8.800 276 HA ASP 34 HA ASP 34 1.428 2.416 -11.137 277 HB2 ASP 34 2HB ASP 34 -0.800 3.511 -11.149 278 HB3 ASP 34 3HB ASP 34 -0.042 5.070 -10.849 279 H SER 35 H SER 35 3.671 2.515 -10.511 280 HA SER 35 HA SER 35 5.116 4.575 -11.842 281 HB2 SER 35 2HB SER 35 4.749 5.779 -9.694 282 HB3 SER 35 3HB SER 35 5.466 4.434 -8.807 283 HG SER 35 HG SER 35 6.696 6.515 -9.829 284 H THR 36 H THR 36 7.071 3.827 -12.461 285 HA THR 36 HA THR 36 8.035 1.213 -11.477 286 HB THR 36 HB THR 36 9.469 1.304 -13.608 287 HG1 THR 36 HG1 THR 36 9.352 3.463 -14.165 288 HG21 THR 36 3HG2 THR 36 7.432 -0.094 -13.516 289 HG22 THR 36 1HG2 THR 36 7.658 0.607 -15.121 290 HG23 THR 36 2HG2 THR 36 6.459 1.287 -14.024 291 H ASP 37 H ASP 37 8.463 4.152 -10.386 292 HA ASP 37 HA ASP 37 11.321 4.553 -10.727 293 HB2 ASP 37 2HB ASP 37 9.818 6.509 -10.482 294 HB3 ASP 37 3HB ASP 37 9.358 5.969 -8.870 295 H ASP 38 H ASP 38 12.685 3.342 -9.685 296 HA ASP 38 HA ASP 38 12.362 1.439 -7.801 297 HB2 ASP 38 2HB ASP 38 14.879 3.146 -8.110 298 HB3 ASP 38 3HB ASP 38 14.809 1.563 -7.344 299 H LYS 39 H LYS 39 13.075 4.826 -7.087 300 HA LYS 39 HA LYS 39 13.747 4.521 -4.334 301 HB2 LYS 39 2HB LYS 39 12.780 7.051 -5.759 302 HB3 LYS 39 3HB LYS 39 13.692 6.974 -4.257 303 HG2 LYS 39 2HG LYS 39 15.628 6.009 -5.495 304 HG3 LYS 39 3HG LYS 39 14.704 6.153 -6.993 305 HD2 LYS 39 2HD LYS 39 16.270 8.043 -6.774 306 HD3 LYS 39 3HD LYS 39 14.602 8.612 -6.707 307 HE2 LYS 39 2HE LYS 39 14.716 8.915 -4.321 308 HE3 LYS 39 3HE LYS 39 16.284 8.105 -4.230 309 HZ1 LYS 39 3HZ LYS 39 17.266 9.912 -5.488 310 HZ2 LYS 39 1HZ LYS 39 16.487 10.517 -4.120 311 HZ3 LYS 39 2HZ LYS 39 15.767 10.679 -5.635 312 H GLU 40 H GLU 40 10.857 5.710 -6.012 313 HA GLU 40 HA GLU 40 9.258 6.233 -3.754 314 HB2 GLU 40 2HB GLU 40 8.578 5.702 -6.669 315 HB3 GLU 40 3HB GLU 40 7.366 6.155 -5.477 316 HG2 GLU 40 2HG GLU 40 9.789 7.838 -6.157 317 HG3 GLU 40 3HG GLU 40 8.192 8.051 -6.869 318 H ILE 41 H ILE 41 9.636 3.330 -5.743 319 HA ILE 41 HA ILE 41 7.557 1.785 -4.608 320 HB ILE 41 HB ILE 41 10.089 0.990 -6.123 321 HG12 ILE 41 2HG1 ILE 41 7.158 1.112 -7.028 322 HG13 ILE 41 3HG1 ILE 41 8.391 2.301 -7.422 323 HG21 ILE 41 1HG2 ILE 41 9.154 -1.253 -6.411 324 HG22 ILE 41 2HG2 ILE 41 7.770 -0.830 -5.406 325 HG23 ILE 41 3HG2 ILE 41 9.382 -0.902 -4.695 326 HD11 ILE 41 3HD1 ILE 41 7.973 0.837 -9.296 327 HD12 ILE 41 1HD1 ILE 41 8.365 -0.578 -8.318 328 HD13 ILE 41 2HD1 ILE 41 9.615 0.609 -8.697 329 H GLU 42 H GLU 42 11.028 2.151 -3.745 330 HA GLU 42 HA GLU 42 11.175 0.164 -1.747 331 HB2 GLU 42 2HB GLU 42 12.693 2.802 -1.971 332 HB3 GLU 42 3HB GLU 42 13.098 1.544 -0.817 333 HG2 GLU 42 2HG GLU 42 13.248 1.317 -3.832 334 HG3 GLU 42 3HG GLU 42 14.606 1.497 -2.730 335 H GLU 43 H GLU 43 10.372 3.623 -1.545 336 HA GLU 43 HA GLU 43 9.914 3.788 1.233 337 HB2 GLU 43 2HB GLU 43 8.583 5.460 -0.932 338 HB3 GLU 43 3HB GLU 43 8.770 5.902 0.757 339 HG2 GLU 43 2HG GLU 43 11.029 5.569 -1.232 340 HG3 GLU 43 3HG GLU 43 10.325 7.099 -0.734 341 H PHE 44 H PHE 44 7.783 2.921 -1.466 342 HA PHE 44 HA PHE 44 5.321 3.071 -0.033 343 HB2 PHE 44 2HB PHE 44 5.487 3.233 -2.524 344 HB3 PHE 44 3HB PHE 44 5.968 1.539 -2.601 345 HD1 PHE 44 HD1 PHE 44 3.226 3.547 -0.964 346 HD2 PHE 44 HD2 PHE 44 4.229 0.122 -3.298 347 HE1 PHE 44 HE1 PHE 44 0.858 2.924 -1.088 348 HE2 PHE 44 HE2 PHE 44 1.854 -0.497 -3.418 349 HZ PHE 44 HZ PHE 44 0.171 0.913 -2.316 350 H GLU 45 H GLU 45 7.548 0.443 -0.865 351 HA GLU 45 HA GLU 45 6.177 -1.739 0.228 352 HB2 GLU 45 2HB GLU 45 9.157 -1.226 -0.129 353 HB3 GLU 45 3HB GLU 45 8.504 -2.777 0.392 354 HG2 GLU 45 2HG GLU 45 7.296 -3.027 -1.697 355 HG3 GLU 45 3HG GLU 45 7.815 -1.434 -2.234 356 H ARG 46 H ARG 46 8.806 0.228 1.678 357 HA ARG 46 HA ARG 46 8.949 -1.159 4.084 358 HB2 ARG 46 2HB ARG 46 10.299 0.621 4.981 359 HB3 ARG 46 3HB ARG 46 10.684 0.491 3.272 360 HG2 ARG 46 2HG ARG 46 9.515 2.502 2.746 361 HG3 ARG 46 3HG ARG 46 8.716 2.538 4.311 362 HD2 ARG 46 2HD ARG 46 11.060 2.875 5.320 363 HD3 ARG 46 3HD ARG 46 11.598 3.197 3.661 364 HE ARG 46 HE ARG 46 9.284 4.702 4.602 365 HH11 ARG 46 1HH1 ARG 46 12.766 4.768 4.062 366 HH12 ARG 46 2HH1 ARG 46 12.848 6.499 4.101 367 HH21 ARG 46 1HH2 ARG 46 9.400 6.942 4.658 368 HH22 ARG 46 2HH2 ARG 46 10.925 7.742 4.440 369 H ASP 47 H ASP 47 7.038 1.729 3.267 370 HA ASP 47 HA ASP 47 5.905 2.041 5.861 371 HB2 ASP 47 2HB ASP 47 5.391 3.306 3.171 372 HB3 ASP 47 3HB ASP 47 4.250 3.591 4.479 373 H MET 48 H MET 48 4.705 0.282 2.980 374 HA MET 48 HA MET 48 2.075 -0.163 4.064 375 HB2 MET 48 2HB MET 48 3.608 -1.377 1.742 376 HB3 MET 48 3HB MET 48 2.118 -2.144 2.293 377 HG2 MET 48 2HG MET 48 2.378 0.722 1.367 378 HG3 MET 48 3HG MET 48 1.679 -0.611 0.444 379 HE1 MET 48 3HE MET 48 -1.506 1.541 1.389 380 HE2 MET 48 1HE MET 48 -0.543 0.867 0.074 381 HE3 MET 48 2HE MET 48 0.096 2.194 1.045 382 H GLU 49 H GLU 49 5.088 -2.013 4.060 383 HA GLU 49 HA GLU 49 4.194 -4.248 5.557 384 HB2 GLU 49 2HB GLU 49 7.005 -3.059 5.305 385 HB3 GLU 49 3HB GLU 49 6.639 -4.619 6.040 386 HG2 GLU 49 2HG GLU 49 5.729 -5.427 3.891 387 HG3 GLU 49 3HG GLU 49 6.099 -3.870 3.155 388 H ASP 50 H ASP 50 5.702 -1.175 6.485 389 HA ASP 50 HA ASP 50 5.966 -1.550 9.264 390 HB2 ASP 50 2HB ASP 50 7.131 0.271 8.097 391 HB3 ASP 50 3HB ASP 50 5.604 1.007 7.631 392 H LEU 51 H LEU 51 3.395 -0.088 7.320 393 HA LEU 51 HA LEU 51 1.540 0.577 9.304 394 HB2 LEU 51 2HB LEU 51 1.388 1.287 6.907 395 HB3 LEU 51 3HB LEU 51 0.995 -0.363 6.450 396 HG LEU 51 HG LEU 51 -1.115 -0.191 7.811 397 HD11 LEU 51 1HD1 LEU 51 -0.454 1.512 9.421 398 HD12 LEU 51 2HD1 LEU 51 -1.909 2.006 8.563 399 HD13 LEU 51 3HD1 LEU 51 -0.355 2.729 8.142 400 HD21 LEU 51 3HD2 LEU 51 -2.349 1.210 6.210 401 HD22 LEU 51 1HD2 LEU 51 -1.172 0.191 5.382 402 HD23 LEU 51 2HD2 LEU 51 -0.837 1.909 5.627 403 H ALA 52 H ALA 52 1.980 -2.435 7.432 404 HA ALA 52 HA ALA 52 -0.165 -3.914 8.440 405 HB1 ALA 52 3HB ALA 52 2.508 -4.961 7.456 406 HB2 ALA 52 1HB ALA 52 1.130 -4.534 6.442 407 HB3 ALA 52 2HB ALA 52 1.004 -5.879 7.576 408 H LYS 53 H LYS 53 3.223 -3.771 9.637 409 HA LYS 53 HA LYS 53 2.886 -5.531 11.810 410 HB2 LYS 53 2HB LYS 53 4.900 -3.398 11.147 411 HB3 LYS 53 3HB LYS 53 4.800 -3.874 12.835 412 HG2 LYS 53 2HG LYS 53 6.478 -5.271 12.062 413 HG3 LYS 53 3HG LYS 53 5.069 -6.315 11.926 414 HD2 LYS 53 2HD LYS 53 6.383 -6.617 9.947 415 HD3 LYS 53 3HD LYS 53 4.956 -5.694 9.473 416 HE2 LYS 53 2HE LYS 53 7.075 -4.869 8.436 417 HE3 LYS 53 3HE LYS 53 6.252 -3.639 9.395 418 HZ1 LYS 53 3HZ LYS 53 8.530 -5.269 10.393 419 HZ2 LYS 53 1HZ LYS 53 7.823 -3.939 11.153 420 HZ3 LYS 53 2HZ LYS 53 8.697 -3.729 9.723 421 H LYS 54 H LYS 54 2.593 -1.969 11.691 422 HA LYS 54 HA LYS 54 2.010 -1.526 14.406 423 HB2 LYS 54 2HB LYS 54 1.362 0.159 11.946 424 HB3 LYS 54 3HB LYS 54 1.108 0.719 13.595 425 HG2 LYS 54 2HG LYS 54 3.560 0.423 14.028 426 HG3 LYS 54 3HG LYS 54 3.770 -0.006 12.333 427 HD2 LYS 54 2HD LYS 54 2.787 2.672 13.395 428 HD3 LYS 54 3HD LYS 54 4.379 2.344 12.713 429 HE2 LYS 54 2HE LYS 54 3.165 1.704 10.547 430 HE3 LYS 54 3HE LYS 54 1.714 2.403 11.270 431 HZ1 LYS 54 3HZ LYS 54 4.279 3.813 10.728 432 HZ2 LYS 54 1HZ LYS 54 2.955 4.514 11.522 433 HZ3 LYS 54 2HZ LYS 54 2.820 4.034 9.903 434 H THR 55 H THR 55 -0.113 -2.387 11.728 435 HA THR 55 HA THR 55 -2.535 -1.949 13.344 436 HB THR 55 HB THR 55 -3.783 -2.369 11.226 437 HG1 THR 55 HG1 THR 55 -1.628 -2.186 9.551 438 HG21 THR 55 3HG2 THR 55 -3.106 -0.329 10.010 439 HG22 THR 55 1HG2 THR 55 -1.593 -0.280 10.915 440 HG23 THR 55 2HG2 THR 55 -3.129 -0.044 11.752 441 H GLY 56 H GLY 56 -0.364 -4.474 12.640 442 HA2 GLY 56 2HA GLY 56 -0.409 -6.660 13.376 443 HA3 GLY 56 3HA GLY 56 -2.020 -6.400 14.013 444 H VAL 57 H VAL 57 -1.303 -5.770 10.645 445 HA VAL 57 HA VAL 57 -2.604 -8.302 9.806 446 HB VAL 57 HB VAL 57 -3.470 -7.204 7.818 447 HG11 VAL 57 1HG1 VAL 57 -5.162 -5.732 8.818 448 HG12 VAL 57 2HG1 VAL 57 -4.203 -5.612 10.296 449 HG13 VAL 57 3HG1 VAL 57 -4.888 -7.166 9.811 450 HG21 VAL 57 3HG2 VAL 57 -2.220 -4.615 8.820 451 HG22 VAL 57 1HG2 VAL 57 -3.306 -4.763 7.431 452 HG23 VAL 57 2HG2 VAL 57 -1.723 -5.538 7.402 453 H GLN 58 H GLN 58 -2.005 -8.672 7.322 454 HA GLN 58 HA GLN 58 0.823 -8.004 6.781 455 HB2 GLN 58 2HB GLN 58 1.188 -10.280 5.838 456 HB3 GLN 58 3HB GLN 58 0.831 -10.323 7.559 457 HG2 GLN 58 2HG GLN 58 -1.531 -10.917 6.995 458 HG3 GLN 58 3HG GLN 58 -1.059 -11.007 5.303 459 HE21 GLN 58 1HE2 GLN 58 0.981 -12.156 7.969 460 HE22 GLN 58 2HE2 GLN 58 0.833 -13.833 7.586 461 H ILE 59 H ILE 59 1.388 -8.245 4.472 462 HA ILE 59 HA ILE 59 -0.853 -7.299 2.765 463 HB ILE 59 HB ILE 59 0.630 -5.772 1.647 464 HG12 ILE 59 2HG1 ILE 59 2.951 -6.891 3.296 465 HG13 ILE 59 3HG1 ILE 59 2.689 -7.190 1.583 466 HG21 ILE 59 1HG2 ILE 59 1.312 -4.249 3.466 467 HG22 ILE 59 2HG2 ILE 59 1.169 -5.564 4.633 468 HG23 ILE 59 3HG2 ILE 59 -0.266 -4.964 3.802 469 HD11 ILE 59 3HD1 ILE 59 4.407 -5.527 1.907 470 HD12 ILE 59 1HD1 ILE 59 3.302 -4.516 2.838 471 HD13 ILE 59 2HD1 ILE 59 3.007 -4.801 1.120 472 H GLN 60 H GLN 60 -0.239 -7.481 0.329 473 HA GLN 60 HA GLN 60 1.426 -9.817 -0.326 474 HB2 GLN 60 2HB GLN 60 -0.891 -10.684 -0.120 475 HB3 GLN 60 3HB GLN 60 -1.478 -9.449 -1.225 476 HG2 GLN 60 2HG GLN 60 -1.328 -11.599 -2.353 477 HG3 GLN 60 3HG GLN 60 -0.179 -10.464 -3.056 478 HE21 GLN 60 1HE2 GLN 60 -0.520 -13.340 -1.069 479 HE22 GLN 60 2HE2 GLN 60 1.123 -13.863 -1.195 480 H LYS 61 H LYS 61 2.940 -8.701 -1.421 481 HA LYS 61 HA LYS 61 2.397 -6.473 -3.180 482 HB2 LYS 61 2HB LYS 61 4.954 -8.109 -2.798 483 HB3 LYS 61 3HB LYS 61 4.836 -6.582 -3.668 484 HG2 LYS 61 2HG LYS 61 4.229 -5.418 -1.576 485 HG3 LYS 61 3HG LYS 61 4.321 -6.947 -0.697 486 HD2 LYS 61 2HD LYS 61 6.726 -7.136 -1.249 487 HD3 LYS 61 3HD LYS 61 6.643 -5.625 -2.159 488 HE2 LYS 61 2HE LYS 61 6.117 -4.393 -0.102 489 HE3 LYS 61 3HE LYS 61 6.128 -5.900 0.821 490 HZ1 LYS 61 3HZ LYS 61 8.470 -4.858 -0.687 491 HZ2 LYS 61 1HZ LYS 61 8.450 -6.183 0.365 492 HZ3 LYS 61 2HZ LYS 61 8.225 -4.618 0.967 493 H GLN 62 H GLN 62 1.602 -6.768 -5.174 494 HA GLN 62 HA GLN 62 2.478 -9.061 -6.854 495 HB2 GLN 62 2HB GLN 62 0.092 -9.260 -6.245 496 HB3 GLN 62 3HB GLN 62 -0.224 -7.620 -6.796 497 HG2 GLN 62 2HG GLN 62 -1.061 -9.036 -8.481 498 HG3 GLN 62 3HG GLN 62 0.448 -8.406 -9.130 499 HE21 GLN 62 1HE2 GLN 62 -1.032 -10.803 -9.884 500 HE22 GLN 62 2HE2 GLN 62 0.056 -12.130 -9.686 501 H TRP 63 H TRP 63 3.964 -8.186 -8.194 502 HA TRP 63 HA TRP 63 3.864 -5.522 -9.259 503 HB2 TRP 63 2HB TRP 63 5.520 -7.953 -10.077 504 HB3 TRP 63 3HB TRP 63 5.734 -6.333 -10.734 505 HD1 TRP 63 HD1 TRP 63 6.133 -8.246 -7.367 506 HE1 TRP 63 HE1 TRP 63 7.859 -6.978 -5.940 507 HE3 TRP 63 HE3 TRP 63 6.849 -4.146 -10.364 508 HZ2 TRP 63 HZ2 TRP 63 9.333 -4.583 -6.060 509 HZ3 TRP 63 HZ3 TRP 63 8.431 -2.411 -9.624 510 HH2 TRP 63 HH2 TRP 63 9.642 -2.628 -7.517 511 H GLN 64 H GLN 64 2.033 -5.130 -10.385 512 HA GLN 64 HA GLN 64 1.203 -6.902 -12.597 513 HB2 GLN 64 2HB GLN 64 -0.485 -6.174 -10.833 514 HB3 GLN 64 3HB GLN 64 -0.253 -4.509 -11.354 515 HG2 GLN 64 2HG GLN 64 -2.294 -5.409 -12.312 516 HG3 GLN 64 3HG GLN 64 -1.128 -5.104 -13.599 517 HE21 GLN 64 1HE2 GLN 64 -2.719 -7.590 -11.710 518 HE22 GLN 64 2HE2 GLN 64 -2.382 -8.905 -12.777 519 H GLY 65 H GLY 65 2.531 -6.377 -14.288 520 HA2 GLY 65 2HA GLY 65 3.386 -5.223 -16.084 521 HA3 GLY 65 3HA GLY 65 2.169 -3.990 -15.787 522 H ASN 66 H ASN 66 4.946 -5.163 -13.880 523 HA ASN 66 HA ASN 66 6.621 -4.173 -12.742 524 HB2 ASN 66 2HB ASN 66 6.521 -2.154 -15.023 525 HB3 ASN 66 3HB ASN 66 7.800 -2.217 -13.816 526 HD21 ASN 66 1HD2 ASN 66 9.300 -3.948 -13.879 527 HD22 ASN 66 2HD2 ASN 66 9.476 -4.940 -15.280 528 H LYS 67 H LYS 67 3.745 -3.231 -12.265 529 HA LYS 67 HA LYS 67 4.327 -0.700 -10.815 530 HB2 LYS 67 2HB LYS 67 1.562 -1.682 -11.680 531 HB3 LYS 67 3HB LYS 67 1.948 -0.140 -10.926 532 HG2 LYS 67 2HG LYS 67 2.738 -1.024 -13.715 533 HG3 LYS 67 3HG LYS 67 1.514 0.176 -13.297 534 HD2 LYS 67 2HD LYS 67 3.216 1.683 -12.427 535 HD3 LYS 67 3HD LYS 67 4.473 0.459 -12.651 536 HE2 LYS 67 2HE LYS 67 4.580 2.110 -14.442 537 HE3 LYS 67 3HE LYS 67 4.098 0.550 -15.099 538 HZ1 LYS 67 3HZ LYS 67 2.246 2.788 -14.468 539 HZ2 LYS 67 1HZ LYS 67 1.810 1.305 -15.152 540 HZ3 LYS 67 2HZ LYS 67 2.794 2.375 -16.010 541 H LEU 68 H LEU 68 4.004 -0.752 -8.596 542 HA LEU 68 HA LEU 68 3.886 -3.450 -7.498 543 HB2 LEU 68 2HB LEU 68 5.693 -1.919 -6.801 544 HB3 LEU 68 3HB LEU 68 4.505 -0.794 -6.152 545 HG LEU 68 HG LEU 68 3.801 -2.531 -4.492 546 HD11 LEU 68 1HD1 LEU 68 5.181 -4.523 -4.108 547 HD12 LEU 68 2HD1 LEU 68 6.118 -4.169 -5.562 548 HD13 LEU 68 3HD1 LEU 68 4.402 -4.567 -5.689 549 HD21 LEU 68 3HD2 LEU 68 6.767 -1.983 -4.336 550 HD22 LEU 68 1HD2 LEU 68 5.640 -2.236 -3.004 551 HD23 LEU 68 2HD2 LEU 68 5.522 -0.784 -3.994 552 H ARG 69 H ARG 69 1.753 -3.959 -7.738 553 HA ARG 69 HA ARG 69 -0.366 -2.437 -6.415 554 HB2 ARG 69 2HB ARG 69 -0.722 -3.446 -8.656 555 HB3 ARG 69 3HB ARG 69 -0.377 -5.043 -8.010 556 HG2 ARG 69 2HG ARG 69 -2.425 -4.930 -6.636 557 HG3 ARG 69 3HG ARG 69 -2.773 -3.319 -7.278 558 HD2 ARG 69 2HD ARG 69 -2.836 -4.326 -9.588 559 HD3 ARG 69 3HD ARG 69 -2.615 -5.911 -8.851 560 HE ARG 69 HE ARG 69 -4.781 -5.702 -7.832 561 HH11 ARG 69 1HH1 ARG 69 -4.097 -3.287 -10.318 562 HH12 ARG 69 2HH1 ARG 69 -5.784 -2.968 -10.619 563 HH21 ARG 69 1HH2 ARG 69 -6.956 -5.313 -8.265 564 HH22 ARG 69 2HH2 ARG 69 -7.404 -4.117 -9.450 565 H ILE 70 H ILE 70 -0.509 -2.706 -4.276 566 HA ILE 70 HA ILE 70 0.281 -5.288 -3.031 567 HB ILE 70 HB ILE 70 0.307 -2.488 -1.784 568 HG12 ILE 70 2HG1 ILE 70 2.559 -4.413 -2.552 569 HG13 ILE 70 3HG1 ILE 70 2.244 -2.825 -3.235 570 HG21 ILE 70 1HG2 ILE 70 -0.427 -4.144 -0.121 571 HG22 ILE 70 2HG2 ILE 70 1.193 -3.570 0.261 572 HG23 ILE 70 3HG2 ILE 70 0.974 -5.157 -0.479 573 HD11 ILE 70 3HD1 ILE 70 3.196 -3.388 -0.429 574 HD12 ILE 70 1HD1 ILE 70 2.846 -1.789 -1.094 575 HD13 ILE 70 2HD1 ILE 70 4.152 -2.763 -1.770 576 H ARG 71 H ARG 71 -1.322 -6.451 -2.215 577 HA ARG 71 HA ARG 71 -3.946 -5.276 -1.715 578 HB2 ARG 71 2HB ARG 71 -3.727 -7.435 -3.016 579 HB3 ARG 71 3HB ARG 71 -3.085 -8.209 -1.566 580 HG2 ARG 71 2HG ARG 71 -5.273 -7.480 -0.406 581 HG3 ARG 71 3HG ARG 71 -5.871 -7.102 -2.020 582 HD2 ARG 71 2HD ARG 71 -5.487 -9.462 -2.685 583 HD3 ARG 71 3HD ARG 71 -4.955 -9.817 -1.046 584 HE ARG 71 HE ARG 71 -7.624 -9.656 -1.979 585 HH11 ARG 71 1HH1 ARG 71 -5.761 -8.845 0.918 586 HH12 ARG 71 2HH1 ARG 71 -7.145 -8.961 1.962 587 HH21 ARG 71 1HH2 ARG 71 -9.394 -9.769 -0.598 588 HH22 ARG 71 2HH2 ARG 71 -9.190 -9.481 1.105 589 H LEU 72 H LEU 72 -4.505 -4.759 0.204 590 HA LEU 72 HA LEU 72 -3.028 -5.528 2.636 591 HB2 LEU 72 2HB LEU 72 -5.065 -3.293 2.244 592 HB3 LEU 72 3HB LEU 72 -3.963 -3.491 3.598 593 HG LEU 72 HG LEU 72 -3.064 -2.862 0.762 594 HD11 LEU 72 1HD1 LEU 72 -2.719 -0.566 1.495 595 HD12 LEU 72 2HD1 LEU 72 -3.414 -0.947 3.072 596 HD13 LEU 72 3HD1 LEU 72 -4.417 -1.025 1.620 597 HD21 LEU 72 3HD2 LEU 72 -1.535 -2.791 3.371 598 HD22 LEU 72 1HD2 LEU 72 -0.922 -2.257 1.804 599 HD23 LEU 72 2HD2 LEU 72 -1.324 -3.953 2.059 600 H LYS 73 H LYS 73 -4.141 -6.605 4.264 601 HA LYS 73 HA LYS 73 -7.064 -7.026 3.964 602 HB2 LYS 73 2HB LYS 73 -6.792 -8.958 5.495 603 HB3 LYS 73 3HB LYS 73 -5.796 -9.126 4.057 604 HG2 LYS 73 2HG LYS 73 -3.820 -8.365 5.394 605 HG3 LYS 73 3HG LYS 73 -4.849 -8.339 6.826 606 HD2 LYS 73 2HD LYS 73 -3.540 -10.407 6.759 607 HD3 LYS 73 3HD LYS 73 -5.254 -10.775 6.576 608 HE2 LYS 73 2HE LYS 73 -4.936 -11.022 4.148 609 HE3 LYS 73 3HE LYS 73 -3.225 -10.637 4.316 610 HZ1 LYS 73 3HZ LYS 73 -2.957 -12.635 5.675 611 HZ2 LYS 73 1HZ LYS 73 -3.588 -13.018 4.155 612 HZ3 LYS 73 2HZ LYS 73 -4.603 -13.001 5.507 613 H GLY 74 H GLY 74 -8.451 -6.546 5.711 614 HA2 GLY 74 2HA GLY 74 -7.455 -4.527 7.597 615 HA3 GLY 74 3HA GLY 74 -9.138 -4.940 7.271 616 H SER 75 H SER 75 -8.724 -7.783 7.472 617 HA SER 75 HA SER 75 -8.145 -8.184 10.349 618 HB2 SER 75 2HB SER 75 -10.282 -9.578 8.657 619 HB3 SER 75 3HB SER 75 -9.947 -9.882 10.365 620 HG SER 75 HG SER 75 -11.079 -7.616 9.148 621 H LEU 76 H LEU 76 -6.334 -9.374 10.542 622 HA LEU 76 HA LEU 76 -5.440 -11.211 8.474 623 HB2 LEU 76 2HB LEU 76 -4.013 -9.684 10.156 624 HB3 LEU 76 3HB LEU 76 -4.125 -11.082 11.201 625 HG LEU 76 HG LEU 76 -2.832 -10.969 8.437 626 HD11 LEU 76 1HD1 LEU 76 -1.542 -11.378 11.143 627 HD12 LEU 76 2HD1 LEU 76 -1.503 -9.901 10.179 628 HD13 LEU 76 3HD1 LEU 76 -0.731 -11.360 9.573 629 HD21 LEU 76 3HD2 LEU 76 -2.069 -13.260 8.758 630 HD22 LEU 76 1HD2 LEU 76 -3.829 -13.176 8.707 631 HD23 LEU 76 2HD2 LEU 76 -3.002 -13.386 10.254 632 H GLU 77 H GLU 77 -6.010 -13.229 8.414 633 HA GLU 77 HA GLU 77 -7.655 -14.676 10.154 634 HB2 GLU 77 2HB GLU 77 -6.910 -16.657 8.768 635 HB3 GLU 77 3HB GLU 77 -7.405 -15.273 7.801 636 HG2 GLU 77 2HG GLU 77 -4.953 -14.637 7.626 637 HG3 GLU 77 3HG GLU 77 -4.573 -16.190 8.360 638 H HIS 78 H HIS 78 -7.226 -15.699 12.094 639 HA HIS 78 HA HIS 78 -4.381 -16.229 12.801 640 HB2 HIS 78 2HB HIS 78 -6.636 -15.290 14.623 641 HB3 HIS 78 3HB HIS 78 -5.090 -15.889 15.218 642 HD1 HIS 78 HD1 HIS 78 -6.025 -13.023 15.852 643 HD2 HIS 78 HD2 HIS 78 -3.565 -13.997 12.644 644 HE1 HIS 78 HE1 HIS 78 -4.752 -10.926 15.307 645 HE2 HIS 78 HE2 HIS 78 -3.109 -11.626 13.549 646 H HIS 79 H HIS 79 -4.589 -18.342 11.900 647 HA HIS 79 HA HIS 79 -6.057 -20.388 13.298 648 HB2 HIS 79 2HB HIS 79 -5.109 -20.700 10.987 649 HB3 HIS 79 3HB HIS 79 -3.480 -20.603 11.649 650 HD1 HIS 79 HD1 HIS 79 -2.454 -22.818 12.117 651 HD2 HIS 79 HD2 HIS 79 -6.612 -23.011 12.170 652 HE1 HIS 79 HE1 HIS 79 -3.017 -25.248 12.424 653 HE2 HIS 79 HE2 HIS 79 -5.519 -25.318 12.584 654 H HIS 80 H HIS 80 -5.502 -21.356 15.210 655 HA HIS 80 HA HIS 80 -3.649 -20.021 16.913 656 HB2 HIS 80 2HB HIS 80 -5.259 -22.565 17.367 657 HB3 HIS 80 3HB HIS 80 -4.281 -21.791 18.609 658 HD1 HIS 80 HD1 HIS 80 -5.109 -19.428 19.476 659 HD2 HIS 80 HD2 HIS 80 -7.756 -21.411 16.955 660 HE1 HIS 80 HE1 HIS 80 -7.311 -18.241 19.731 661 HE2 HIS 80 HE2 HIS 80 -8.828 -19.338 18.056 662 H HIS 81 H HIS 81 -1.568 -20.165 16.348 663 HA HIS 81 HA HIS 81 -0.145 -22.723 16.482 664 HB2 HIS 81 2HB HIS 81 -0.758 -22.541 14.095 665 HB3 HIS 81 3HB HIS 81 -0.095 -20.914 14.013 666 HD1 HIS 81 HD1 HIS 81 2.240 -20.772 13.180 667 HD2 HIS 81 HD2 HIS 81 1.373 -24.571 14.607 668 HE1 HIS 81 HE1 HIS 81 4.249 -22.161 12.639 669 HE2 HIS 81 HE2 HIS 81 3.776 -24.398 13.676 670 H HIS 82 H HIS 82 0.923 -21.972 18.291 671 HA HIS 82 HA HIS 82 3.141 -20.125 17.832 672 HB2 HIS 82 2HB HIS 82 1.403 -18.643 18.783 673 HB3 HIS 82 3HB HIS 82 1.163 -19.739 20.138 674 HD1 HIS 82 HD1 HIS 82 2.945 -19.687 22.033 675 HD2 HIS 82 HD2 HIS 82 3.679 -16.980 18.966 676 HE1 HIS 82 HE1 HIS 82 4.727 -18.143 22.902 677 HE2 HIS 82 HE2 HIS 82 5.275 -16.645 20.967 678 H HIS 83 H HIS 83 4.814 -21.405 18.321 679 HA HIS 83 HA HIS 83 4.708 -23.405 20.439 680 HB2 HIS 83 2HB HIS 83 5.754 -23.901 18.193 681 HB3 HIS 83 3HB HIS 83 7.010 -22.714 18.541 682 HD1 HIS 83 HD1 HIS 83 8.643 -23.342 20.583 683 HD2 HIS 83 HD2 HIS 83 6.172 -26.420 19.269 684 HE1 HIS 83 HE1 HIS 83 9.636 -25.458 21.514 685 HE2 HIS 83 HE2 HIS 83 8.128 -27.303 20.713 Start of MODEL 3 1 H1 MET 1 1H MET 1 -19.674 -6.159 -6.705 2 H2 MET 1 2H MET 1 -18.997 -7.052 -7.967 3 H3 MET 1 3H MET 1 -19.993 -5.731 -8.312 4 HA MET 1 HA MET 1 -17.670 -5.221 -8.659 5 HB2 MET 1 2HB MET 1 -17.641 -3.094 -7.535 6 HB3 MET 1 3HB MET 1 -19.334 -3.453 -7.850 7 HG2 MET 1 2HG MET 1 -17.895 -3.724 -5.194 8 HG3 MET 1 3HG MET 1 -19.077 -2.490 -5.628 9 HE1 MET 1 3HE MET 1 -19.273 -4.209 -2.950 10 HE2 MET 1 1HE MET 1 -20.985 -4.632 -2.940 11 HE3 MET 1 2HE MET 1 -20.484 -3.009 -3.412 12 H GLY 2 H GLY 2 -15.558 -4.809 -7.648 13 HA2 GLY 2 2HA GLY 2 -14.711 -6.764 -5.726 14 HA3 GLY 2 3HA GLY 2 -13.752 -5.441 -6.386 15 H LEU 3 H LEU 3 -15.600 -6.537 -3.708 16 HA LEU 3 HA LEU 3 -16.149 -4.166 -2.294 17 HB2 LEU 3 2HB LEU 3 -15.485 -6.963 -1.258 18 HB3 LEU 3 3HB LEU 3 -15.929 -5.637 -0.198 19 HG LEU 3 HG LEU 3 -18.158 -5.500 -1.450 20 HD11 LEU 3 1HD1 LEU 3 -17.574 -6.680 -3.499 21 HD12 LEU 3 2HD1 LEU 3 -18.934 -7.461 -2.696 22 HD13 LEU 3 3HD1 LEU 3 -17.321 -8.176 -2.595 23 HD21 LEU 3 3HD2 LEU 3 -17.993 -6.505 0.768 24 HD22 LEU 3 1HD2 LEU 3 -17.585 -8.068 0.054 25 HD23 LEU 3 2HD2 LEU 3 -19.178 -7.355 -0.219 26 H THR 4 H THR 4 -13.284 -6.279 -2.279 27 HA THR 4 HA THR 4 -11.529 -4.308 -1.102 28 HB THR 4 HB THR 4 -10.845 -6.793 -2.747 29 HG1 THR 4 HG1 THR 4 -11.684 -6.477 -0.121 30 HG21 THR 4 3HG2 THR 4 -8.660 -6.708 -1.606 31 HG22 THR 4 1HG2 THR 4 -9.145 -5.243 -0.751 32 HG23 THR 4 2HG2 THR 4 -8.939 -5.215 -2.505 33 H ARG 5 H ARG 5 -11.964 -2.424 -2.421 34 HA ARG 5 HA ARG 5 -11.867 -2.438 -5.287 35 HB2 ARG 5 2HB ARG 5 -12.037 -0.007 -5.162 36 HB3 ARG 5 3HB ARG 5 -13.149 -0.733 -4.005 37 HG2 ARG 5 2HG ARG 5 -11.701 -0.168 -2.150 38 HG3 ARG 5 3HG ARG 5 -10.419 0.349 -3.246 39 HD2 ARG 5 2HD ARG 5 -13.118 1.707 -2.942 40 HD3 ARG 5 3HD ARG 5 -11.596 2.259 -2.231 41 HE ARG 5 HE ARG 5 -11.687 1.940 -5.144 42 HH11 ARG 5 1HH1 ARG 5 -11.759 4.163 -2.434 43 HH12 ARG 5 2HH1 ARG 5 -11.387 5.555 -3.398 44 HH21 ARG 5 1HH2 ARG 5 -11.169 3.762 -6.397 45 HH22 ARG 5 2HH2 ARG 5 -11.051 5.321 -5.650 46 H THR 6 H THR 6 -10.332 -0.788 -6.425 47 HA THR 6 HA THR 6 -7.543 -1.284 -5.580 48 HB THR 6 HB THR 6 -8.527 -1.249 -8.473 49 HG1 THR 6 HG1 THR 6 -7.722 -3.528 -6.968 50 HG21 THR 6 3HG2 THR 6 -6.289 -2.197 -8.972 51 HG22 THR 6 1HG2 THR 6 -5.849 -2.079 -7.267 52 HG23 THR 6 2HG2 THR 6 -6.139 -0.612 -8.211 53 H ILE 7 H ILE 7 -6.671 0.607 -5.067 54 HA ILE 7 HA ILE 7 -7.454 3.108 -6.463 55 HB ILE 7 HB ILE 7 -5.907 2.780 -3.848 56 HG12 ILE 7 2HG1 ILE 7 -8.846 3.480 -4.266 57 HG13 ILE 7 3HG1 ILE 7 -8.236 1.962 -3.611 58 HG21 ILE 7 1HG2 ILE 7 -6.273 5.184 -3.512 59 HG22 ILE 7 2HG2 ILE 7 -7.134 5.287 -5.050 60 HG23 ILE 7 3HG2 ILE 7 -5.412 4.902 -5.027 61 HD11 ILE 7 3HD1 ILE 7 -7.991 4.683 -2.330 62 HD12 ILE 7 1HD1 ILE 7 -7.333 3.175 -1.683 63 HD13 ILE 7 2HD1 ILE 7 -9.076 3.376 -1.858 64 H THR 8 H THR 8 -6.090 3.616 -8.114 65 HA THR 8 HA THR 8 -3.251 2.741 -8.017 66 HB THR 8 HB THR 8 -3.267 2.936 -10.512 67 HG1 THR 8 HG1 THR 8 -4.871 4.411 -10.926 68 HG21 THR 8 3HG2 THR 8 -3.797 0.731 -9.549 69 HG22 THR 8 1HG2 THR 8 -4.711 0.999 -11.037 70 HG23 THR 8 2HG2 THR 8 -5.507 1.166 -9.472 71 H SER 9 H SER 9 -2.098 4.397 -7.233 72 HA SER 9 HA SER 9 -2.523 7.144 -8.256 73 HB2 SER 9 2HB SER 9 -3.678 7.000 -6.072 74 HB3 SER 9 3HB SER 9 -2.217 6.367 -5.318 75 HG SER 9 HG SER 9 -2.828 8.781 -5.304 76 H GLN 10 H GLN 10 -0.700 8.424 -8.294 77 HA GLN 10 HA GLN 10 1.883 7.035 -8.301 78 HB2 GLN 10 2HB GLN 10 1.212 9.877 -9.187 79 HB3 GLN 10 3HB GLN 10 2.707 9.000 -9.518 80 HG2 GLN 10 2HG GLN 10 1.438 7.382 -10.894 81 HG3 GLN 10 3HG GLN 10 -0.047 8.269 -10.572 82 HE21 GLN 10 1HE2 GLN 10 -0.383 8.594 -12.783 83 HE22 GLN 10 2HE2 GLN 10 0.543 9.725 -13.704 84 H ASN 11 H ASN 11 0.082 8.549 -5.978 85 HA ASN 11 HA ASN 11 2.457 9.484 -4.470 86 HB2 ASN 11 2HB ASN 11 0.810 11.298 -4.789 87 HB3 ASN 11 3HB ASN 11 -0.485 10.266 -4.194 88 HD21 ASN 11 1HD2 ASN 11 -0.972 11.854 -2.595 89 HD22 ASN 11 2HD2 ASN 11 0.007 12.049 -1.184 90 H LYS 12 H LYS 12 3.120 7.840 -3.217 91 HA LYS 12 HA LYS 12 1.435 5.661 -2.398 92 HB2 LYS 12 2HB LYS 12 3.476 4.822 -1.183 93 HB3 LYS 12 3HB LYS 12 3.719 5.140 -2.887 94 HG2 LYS 12 2HG LYS 12 5.668 6.022 -2.049 95 HG3 LYS 12 3HG LYS 12 4.653 7.462 -2.031 96 HD2 LYS 12 2HD LYS 12 4.192 7.050 0.416 97 HD3 LYS 12 3HD LYS 12 5.306 5.677 0.361 98 HE2 LYS 12 2HE LYS 12 7.127 7.244 -0.333 99 HE3 LYS 12 3HE LYS 12 5.993 8.583 -0.165 100 HZ1 LYS 12 3HZ LYS 12 5.774 8.016 2.180 101 HZ2 LYS 12 1HZ LYS 12 7.369 8.406 1.772 102 HZ3 LYS 12 2HZ LYS 12 6.923 6.787 1.998 103 H GLU 13 H GLU 13 2.205 8.717 -0.955 104 HA GLU 13 HA GLU 13 1.979 8.051 1.792 105 HB2 GLU 13 2HB GLU 13 1.501 10.729 0.410 106 HB3 GLU 13 3HB GLU 13 1.727 10.507 2.151 107 HG2 GLU 13 2HG GLU 13 4.007 9.611 1.725 108 HG3 GLU 13 3HG GLU 13 3.784 9.882 -0.004 109 H GLU 14 H GLU 14 -0.419 9.497 -0.461 110 HA GLU 14 HA GLU 14 -2.587 9.495 1.361 111 HB2 GLU 14 2HB GLU 14 -4.029 9.881 -0.574 112 HB3 GLU 14 3HB GLU 14 -2.582 10.883 -0.665 113 HG2 GLU 14 2HG GLU 14 -1.597 9.358 -2.315 114 HG3 GLU 14 3HG GLU 14 -3.009 8.300 -2.206 115 H LEU 15 H LEU 15 -1.265 7.018 -0.765 116 HA LEU 15 HA LEU 15 -3.394 5.154 -0.682 117 HB2 LEU 15 2HB LEU 15 -0.397 4.730 -1.032 118 HB3 LEU 15 3HB LEU 15 -1.580 3.443 -1.219 119 HG LEU 15 HG LEU 15 -1.421 5.954 -2.942 120 HD11 LEU 15 1HD1 LEU 15 0.444 4.452 -3.410 121 HD12 LEU 15 2HD1 LEU 15 -0.691 4.488 -4.758 122 HD13 LEU 15 3HD1 LEU 15 -0.674 3.106 -3.656 123 HD21 LEU 15 3HD2 LEU 15 -3.245 3.546 -3.198 124 HD22 LEU 15 1HD2 LEU 15 -3.128 4.886 -4.344 125 HD23 LEU 15 2HD2 LEU 15 -3.724 5.174 -2.714 126 H LEU 16 H LEU 16 -0.771 5.911 1.557 127 HA LEU 16 HA LEU 16 -1.148 3.712 3.377 128 HB2 LEU 16 2HB LEU 16 0.074 6.451 3.869 129 HB3 LEU 16 3HB LEU 16 0.233 5.066 4.941 130 HG LEU 16 HG LEU 16 1.301 5.131 2.097 131 HD11 LEU 16 1HD1 LEU 16 2.839 5.612 4.655 132 HD12 LEU 16 2HD1 LEU 16 2.410 6.835 3.456 133 HD13 LEU 16 3HD1 LEU 16 3.501 5.525 3.017 134 HD21 LEU 16 3HD2 LEU 16 1.911 3.201 4.361 135 HD22 LEU 16 1HD2 LEU 16 2.576 3.168 2.723 136 HD23 LEU 16 2HD2 LEU 16 0.861 2.866 2.983 137 H GLU 17 H GLU 17 -2.291 7.083 3.261 138 HA GLU 17 HA GLU 17 -3.586 7.156 5.780 139 HB2 GLU 17 2HB GLU 17 -4.090 8.808 3.273 140 HB3 GLU 17 3HB GLU 17 -4.726 9.201 4.874 141 HG2 GLU 17 2HG GLU 17 -2.408 9.443 5.728 142 HG3 GLU 17 3HG GLU 17 -1.779 9.056 4.126 143 H ILE 18 H ILE 18 -4.898 6.560 2.509 144 HA ILE 18 HA ILE 18 -7.597 6.128 3.355 145 HB ILE 18 HB ILE 18 -6.312 5.242 0.732 146 HG12 ILE 18 2HG1 ILE 18 -7.822 7.838 1.307 147 HG13 ILE 18 3HG1 ILE 18 -6.074 7.714 1.171 148 HG21 ILE 18 1HG2 ILE 18 -9.245 5.658 1.457 149 HG22 ILE 18 2HG2 ILE 18 -8.457 4.112 1.142 150 HG23 ILE 18 3HG2 ILE 18 -8.642 5.282 -0.162 151 HD11 ILE 18 3HD1 ILE 18 -6.282 7.056 -1.165 152 HD12 ILE 18 1HD1 ILE 18 -7.072 8.601 -0.856 153 HD13 ILE 18 2HD1 ILE 18 -8.042 7.140 -1.048 154 H ALA 19 H ALA 19 -4.775 4.036 2.839 155 HA ALA 19 HA ALA 19 -5.941 1.513 3.174 156 HB1 ALA 19 3HB ALA 19 -3.617 1.760 2.519 157 HB2 ALA 19 1HB ALA 19 -3.710 0.797 3.996 158 HB3 ALA 19 2HB ALA 19 -3.222 2.489 4.075 159 H LEU 20 H LEU 20 -4.601 3.707 5.636 160 HA LEU 20 HA LEU 20 -4.927 2.120 7.903 161 HB2 LEU 20 2HB LEU 20 -3.525 4.149 7.837 162 HB3 LEU 20 3HB LEU 20 -4.956 5.152 7.676 163 HG LEU 20 HG LEU 20 -5.690 4.402 9.977 164 HD11 LEU 20 1HD1 LEU 20 -4.514 2.273 10.116 165 HD12 LEU 20 2HD1 LEU 20 -4.096 3.307 11.478 166 HD13 LEU 20 3HD1 LEU 20 -2.957 3.105 10.143 167 HD21 LEU 20 3HD2 LEU 20 -2.979 5.753 9.889 168 HD22 LEU 20 1HD2 LEU 20 -4.128 5.801 11.232 169 HD23 LEU 20 2HD2 LEU 20 -4.546 6.541 9.688 170 H LYS 21 H LYS 21 -7.155 4.462 6.414 171 HA LYS 21 HA LYS 21 -9.119 4.352 8.473 172 HB2 LYS 21 2HB LYS 21 -10.509 5.720 7.137 173 HB3 LYS 21 3HB LYS 21 -8.872 6.236 6.767 174 HG2 LYS 21 2HG LYS 21 -8.993 4.845 4.671 175 HG3 LYS 21 3HG LYS 21 -10.687 4.528 5.032 176 HD2 LYS 21 2HD LYS 21 -9.472 7.279 4.553 177 HD3 LYS 21 3HD LYS 21 -10.352 6.342 3.351 178 HE2 LYS 21 2HE LYS 21 -11.926 7.921 4.161 179 HE3 LYS 21 3HE LYS 21 -12.349 6.424 4.985 180 HZ1 LYS 21 3HZ LYS 21 -11.246 7.218 6.966 181 HZ2 LYS 21 1HZ LYS 21 -12.369 8.372 6.451 182 HZ3 LYS 21 2HZ LYS 21 -10.720 8.614 6.170 183 H PHE 22 H PHE 22 -8.550 2.409 5.540 184 HA PHE 22 HA PHE 22 -11.075 1.045 5.577 185 HB2 PHE 22 2HB PHE 22 -8.525 0.778 4.036 186 HB3 PHE 22 3HB PHE 22 -9.436 -0.717 4.214 187 HD1 PHE 22 HD1 PHE 22 -9.841 2.857 3.114 188 HD2 PHE 22 HD2 PHE 22 -11.208 -1.183 2.737 189 HE1 PHE 22 HE1 PHE 22 -11.297 3.513 1.250 190 HE2 PHE 22 HE2 PHE 22 -12.662 -0.514 0.878 191 HZ PHE 22 HZ PHE 22 -12.709 1.832 0.130 192 H ILE 23 H ILE 23 -7.840 0.295 6.864 193 HA ILE 23 HA ILE 23 -8.458 -2.311 7.839 194 HB ILE 23 HB ILE 23 -6.271 -0.414 8.820 195 HG12 ILE 23 2HG1 ILE 23 -6.079 -0.780 6.373 196 HG13 ILE 23 3HG1 ILE 23 -4.749 -1.555 7.220 197 HG21 ILE 23 1HG2 ILE 23 -6.605 -2.236 10.395 198 HG22 ILE 23 2HG2 ILE 23 -5.101 -2.518 9.518 199 HG23 ILE 23 3HG2 ILE 23 -6.549 -3.428 9.095 200 HD11 ILE 23 3HD1 ILE 23 -5.541 -2.937 5.422 201 HD12 ILE 23 1HD1 ILE 23 -7.183 -2.918 6.063 202 HD13 ILE 23 2HD1 ILE 23 -5.891 -3.727 6.959 203 H SER 24 H SER 24 -8.657 0.941 9.187 204 HA SER 24 HA SER 24 -9.400 0.330 11.845 205 HB2 SER 24 2HB SER 24 -8.608 2.557 11.212 206 HB3 SER 24 3HB SER 24 -9.985 2.783 10.132 207 HG SER 24 HG SER 24 -11.224 3.238 11.787 208 H GLN 25 H GLN 25 -11.243 0.361 8.871 209 HA GLN 25 HA GLN 25 -13.831 0.095 10.242 210 HB2 GLN 25 2HB GLN 25 -13.136 0.144 7.271 211 HB3 GLN 25 3HB GLN 25 -14.776 0.091 7.917 212 HG2 GLN 25 2HG GLN 25 -14.517 2.301 8.890 213 HG3 GLN 25 3HG GLN 25 -12.817 2.354 8.438 214 HE21 GLN 25 1HE2 GLN 25 -12.283 2.566 6.191 215 HE22 GLN 25 2HE2 GLN 25 -13.412 3.229 5.070 216 H GLY 26 H GLY 26 -11.295 -1.904 9.466 217 HA2 GLY 26 2HA GLY 26 -11.050 -4.170 9.727 218 HA3 GLY 26 3HA GLY 26 -12.789 -4.346 9.905 219 H LEU 27 H LEU 27 -11.493 -2.698 7.170 220 HA LEU 27 HA LEU 27 -12.658 -4.713 5.356 221 HB2 LEU 27 2HB LEU 27 -12.023 -1.764 4.894 222 HB3 LEU 27 3HB LEU 27 -12.805 -2.830 3.738 223 HG LEU 27 HG LEU 27 -13.984 -1.955 6.406 224 HD11 LEU 27 1HD1 LEU 27 -13.898 -0.114 4.813 225 HD12 LEU 27 2HD1 LEU 27 -15.559 -0.635 5.077 226 HD13 LEU 27 3HD1 LEU 27 -14.719 -1.093 3.591 227 HD21 LEU 27 3HD2 LEU 27 -16.063 -3.034 5.636 228 HD22 LEU 27 1HD2 LEU 27 -14.756 -4.200 5.819 229 HD23 LEU 27 2HD2 LEU 27 -15.228 -3.650 4.207 230 H ASP 28 H ASP 28 -11.519 -5.447 3.564 231 HA ASP 28 HA ASP 28 -8.645 -5.145 3.403 232 HB2 ASP 28 2HB ASP 28 -10.689 -6.573 1.651 233 HB3 ASP 28 3HB ASP 28 -8.988 -6.468 1.204 234 H LEU 29 H LEU 29 -7.544 -4.148 1.660 235 HA LEU 29 HA LEU 29 -8.976 -2.526 -0.287 236 HB2 LEU 29 2HB LEU 29 -8.734 -0.969 1.619 237 HB3 LEU 29 3HB LEU 29 -7.014 -1.306 1.705 238 HG LEU 29 HG LEU 29 -6.722 -0.278 -0.575 239 HD11 LEU 29 1HD1 LEU 29 -8.956 -0.684 -1.461 240 HD12 LEU 29 2HD1 LEU 29 -8.515 1.013 -1.591 241 HD13 LEU 29 3HD1 LEU 29 -9.639 0.491 -0.332 242 HD21 LEU 29 3HD2 LEU 29 -6.984 2.062 0.108 243 HD22 LEU 29 1HD2 LEU 29 -6.313 1.079 1.406 244 HD23 LEU 29 2HD2 LEU 29 -8.008 1.565 1.460 245 H GLU 30 H GLU 30 -8.006 -3.021 -2.172 246 HA GLU 30 HA GLU 30 -5.158 -3.714 -2.272 247 HB2 GLU 30 2HB GLU 30 -6.822 -5.090 -3.557 248 HB3 GLU 30 3HB GLU 30 -7.222 -3.667 -4.515 249 HG2 GLU 30 2HG GLU 30 -4.931 -3.580 -5.390 250 HG3 GLU 30 3HG GLU 30 -4.474 -4.957 -4.388 251 H VAL 31 H VAL 31 -3.688 -2.206 -2.777 252 HA VAL 31 HA VAL 31 -4.450 0.223 -4.308 253 HB VAL 31 HB VAL 31 -2.585 1.432 -2.971 254 HG11 VAL 31 1HG1 VAL 31 -4.947 1.977 -2.613 255 HG12 VAL 31 2HG1 VAL 31 -4.077 2.021 -1.079 256 HG13 VAL 31 3HG1 VAL 31 -5.109 0.641 -1.468 257 HG21 VAL 31 3HG2 VAL 31 -2.077 0.578 -0.705 258 HG22 VAL 31 1HG2 VAL 31 -1.506 -0.528 -1.956 259 HG23 VAL 31 2HG2 VAL 31 -2.977 -0.898 -1.054 260 H GLU 32 H GLU 32 -2.883 0.996 -5.687 261 HA GLU 32 HA GLU 32 -0.504 -0.633 -6.235 262 HB2 GLU 32 2HB GLU 32 -2.166 -1.356 -7.867 263 HB3 GLU 32 3HB GLU 32 -2.573 0.313 -8.262 264 HG2 GLU 32 2HG GLU 32 -0.420 0.672 -9.321 265 HG3 GLU 32 3HG GLU 32 0.182 -0.879 -8.733 266 H PHE 33 H PHE 33 1.200 0.599 -6.238 267 HA PHE 33 HA PHE 33 1.108 3.477 -6.511 268 HB2 PHE 33 2HB PHE 33 2.660 2.286 -4.916 269 HB3 PHE 33 3HB PHE 33 3.522 1.629 -6.303 270 HD1 PHE 33 HD1 PHE 33 2.254 4.984 -5.174 271 HD2 PHE 33 HD2 PHE 33 5.523 2.747 -6.803 272 HE1 PHE 33 HE1 PHE 33 3.627 7.017 -5.225 273 HE2 PHE 33 HE2 PHE 33 6.872 4.788 -6.852 274 HZ PHE 33 HZ PHE 33 5.933 6.921 -6.064 275 H ASP 34 H ASP 34 0.770 4.192 -8.500 276 HA ASP 34 HA ASP 34 1.535 2.761 -10.890 277 HB2 ASP 34 2HB ASP 34 -0.638 3.975 -10.778 278 HB3 ASP 34 3HB ASP 34 0.215 5.501 -10.542 279 H SER 35 H SER 35 3.817 2.749 -10.621 280 HA SER 35 HA SER 35 5.181 4.844 -12.004 281 HB2 SER 35 2HB SER 35 5.145 5.857 -9.724 282 HB3 SER 35 3HB SER 35 5.925 4.423 -9.070 283 HG SER 35 HG SER 35 7.091 6.544 -9.974 284 H THR 36 H THR 36 7.248 4.239 -12.650 285 HA THR 36 HA THR 36 8.176 1.487 -12.056 286 HB THR 36 HB THR 36 9.447 1.737 -14.287 287 HG1 THR 36 HG1 THR 36 9.382 3.753 -14.968 288 HG21 THR 36 3HG2 THR 36 7.497 1.176 -15.702 289 HG22 THR 36 1HG2 THR 36 6.404 1.765 -14.447 290 HG23 THR 36 2HG2 THR 36 7.406 0.344 -14.149 291 H ASP 37 H ASP 37 8.674 4.368 -10.814 292 HA ASP 37 HA ASP 37 11.545 4.688 -11.139 293 HB2 ASP 37 2HB ASP 37 10.008 6.671 -10.806 294 HB3 ASP 37 3HB ASP 37 9.647 6.077 -9.186 295 H ASP 38 H ASP 38 12.784 3.184 -10.198 296 HA ASP 38 HA ASP 38 12.087 1.228 -8.404 297 HB2 ASP 38 2HB ASP 38 14.874 2.409 -8.757 298 HB3 ASP 38 3HB ASP 38 14.524 0.845 -8.028 299 H LYS 39 H LYS 39 13.370 4.447 -7.571 300 HA LYS 39 HA LYS 39 13.991 3.925 -4.843 301 HB2 LYS 39 2HB LYS 39 13.267 6.594 -6.125 302 HB3 LYS 39 3HB LYS 39 14.095 6.370 -4.586 303 HG2 LYS 39 2HG LYS 39 16.044 5.433 -5.739 304 HG3 LYS 39 3HG LYS 39 15.215 5.556 -7.293 305 HD2 LYS 39 2HD LYS 39 15.854 7.949 -5.522 306 HD3 LYS 39 3HD LYS 39 16.912 7.380 -6.811 307 HE2 LYS 39 2HE LYS 39 15.655 9.223 -7.693 308 HE3 LYS 39 3HE LYS 39 15.009 7.766 -8.434 309 HZ1 LYS 39 3HZ LYS 39 13.106 7.869 -7.010 310 HZ2 LYS 39 1HZ LYS 39 13.315 9.388 -7.727 311 HZ3 LYS 39 2HZ LYS 39 13.767 9.147 -6.113 312 H GLU 40 H GLU 40 11.188 5.475 -6.425 313 HA GLU 40 HA GLU 40 9.772 5.960 -3.986 314 HB2 GLU 40 2HB GLU 40 8.596 5.963 -6.791 315 HB3 GLU 40 3HB GLU 40 7.953 6.772 -5.366 316 HG2 GLU 40 2HG GLU 40 10.353 7.511 -7.037 317 HG3 GLU 40 3HG GLU 40 8.921 8.472 -6.689 318 H ILE 41 H ILE 41 9.765 3.335 -6.347 319 HA ILE 41 HA ILE 41 7.563 1.837 -5.449 320 HB ILE 41 HB ILE 41 10.177 1.066 -6.800 321 HG12 ILE 41 2HG1 ILE 41 7.298 1.113 -7.817 322 HG13 ILE 41 3HG1 ILE 41 8.536 2.314 -8.169 323 HG21 ILE 41 1HG2 ILE 41 7.934 -0.887 -6.205 324 HG22 ILE 41 2HG2 ILE 41 9.520 -0.889 -5.438 325 HG23 ILE 41 3HG2 ILE 41 9.377 -1.223 -7.162 326 HD11 ILE 41 3HD1 ILE 41 8.206 0.831 -10.045 327 HD12 ILE 41 1HD1 ILE 41 8.568 -0.574 -9.045 328 HD13 ILE 41 2HD1 ILE 41 9.826 0.621 -9.380 329 H GLU 42 H GLU 42 10.984 1.863 -4.402 330 HA GLU 42 HA GLU 42 10.766 -0.147 -2.410 331 HB2 GLU 42 2HB GLU 42 12.784 2.081 -2.848 332 HB3 GLU 42 3HB GLU 42 12.930 0.943 -1.509 333 HG2 GLU 42 2HG GLU 42 12.970 0.258 -4.467 334 HG3 GLU 42 3HG GLU 42 14.349 0.270 -3.369 335 H GLU 43 H GLU 43 10.318 3.372 -2.327 336 HA GLU 43 HA GLU 43 9.839 3.678 0.409 337 HB2 GLU 43 2HB GLU 43 8.634 5.199 -1.936 338 HB3 GLU 43 3HB GLU 43 8.473 5.702 -0.251 339 HG2 GLU 43 2HG GLU 43 11.046 5.495 -1.860 340 HG3 GLU 43 3HG GLU 43 10.249 6.972 -1.321 341 H PHE 44 H PHE 44 7.482 2.878 -2.214 342 HA PHE 44 HA PHE 44 5.189 2.733 -0.574 343 HB2 PHE 44 2HB PHE 44 5.137 2.920 -3.051 344 HB3 PHE 44 3HB PHE 44 5.765 1.284 -3.195 345 HD1 PHE 44 HD1 PHE 44 2.881 3.074 -1.535 346 HD2 PHE 44 HD2 PHE 44 4.178 -0.387 -3.669 347 HE1 PHE 44 HE1 PHE 44 0.569 2.247 -1.632 348 HE2 PHE 44 HE2 PHE 44 1.880 -1.211 -3.749 349 HZ PHE 44 HZ PHE 44 0.066 0.105 -2.737 350 H GLU 45 H GLU 45 7.625 0.291 -1.432 351 HA GLU 45 HA GLU 45 6.597 -2.040 -0.317 352 HB2 GLU 45 2HB GLU 45 9.468 -1.030 -0.481 353 HB3 GLU 45 3HB GLU 45 9.073 -2.654 0.067 354 HG2 GLU 45 2HG GLU 45 8.206 -1.646 -2.654 355 HG3 GLU 45 3HG GLU 45 9.810 -2.336 -2.385 356 H ARG 46 H ARG 46 8.909 0.193 1.244 357 HA ARG 46 HA ARG 46 8.963 -1.184 3.722 358 HB2 ARG 46 2HB ARG 46 10.443 0.621 4.474 359 HB3 ARG 46 3HB ARG 46 10.870 0.110 2.848 360 HG2 ARG 46 2HG ARG 46 9.411 2.144 2.076 361 HG3 ARG 46 3HG ARG 46 9.591 2.705 3.739 362 HD2 ARG 46 2HD ARG 46 11.838 2.120 1.778 363 HD3 ARG 46 3HD ARG 46 11.262 3.719 2.256 364 HE ARG 46 HE ARG 46 12.138 2.133 4.493 365 HH11 ARG 46 1HH1 ARG 46 13.285 4.288 1.930 366 HH12 ARG 46 2HH1 ARG 46 14.718 4.734 2.802 367 HH21 ARG 46 1HH2 ARG 46 14.027 2.735 5.589 368 HH22 ARG 46 2HH2 ARG 46 15.135 3.862 4.869 369 H ASP 47 H ASP 47 7.321 1.781 2.671 370 HA ASP 47 HA ASP 47 6.090 2.555 5.044 371 HB2 ASP 47 2HB ASP 47 5.384 2.986 2.126 372 HB3 ASP 47 3HB ASP 47 4.301 3.560 3.386 373 H MET 48 H MET 48 4.807 0.324 2.523 374 HA MET 48 HA MET 48 2.312 -0.139 3.883 375 HB2 MET 48 2HB MET 48 3.632 -1.518 1.528 376 HB3 MET 48 3HB MET 48 2.161 -2.181 2.242 377 HG2 MET 48 2HG MET 48 2.466 0.601 1.089 378 HG3 MET 48 3HG MET 48 1.626 -0.758 0.327 379 HE1 MET 48 3HE MET 48 0.332 2.259 1.061 380 HE2 MET 48 1HE MET 48 -1.292 1.699 1.464 381 HE3 MET 48 2HE MET 48 -0.434 1.005 0.087 382 H GLU 49 H GLU 49 5.413 -1.843 3.921 383 HA GLU 49 HA GLU 49 4.638 -4.080 5.489 384 HB2 GLU 49 2HB GLU 49 7.314 -2.665 5.175 385 HB3 GLU 49 3HB GLU 49 7.123 -4.161 6.096 386 HG2 GLU 49 2HG GLU 49 6.448 -5.371 4.118 387 HG3 GLU 49 3HG GLU 49 6.396 -3.885 3.163 388 H ASP 50 H ASP 50 6.023 -0.935 6.380 389 HA ASP 50 HA ASP 50 6.164 -1.218 9.168 390 HB2 ASP 50 2HB ASP 50 7.368 0.552 7.988 391 HB3 ASP 50 3HB ASP 50 5.858 1.263 7.422 392 H LEU 51 H LEU 51 3.651 0.188 7.106 393 HA LEU 51 HA LEU 51 1.793 0.944 9.071 394 HB2 LEU 51 2HB LEU 51 1.722 1.727 6.723 395 HB3 LEU 51 3HB LEU 51 1.303 0.109 6.190 396 HG LEU 51 HG LEU 51 -0.873 0.272 7.422 397 HD11 LEU 51 1HD1 LEU 51 -0.249 1.853 9.173 398 HD12 LEU 51 2HD1 LEU 51 -1.670 2.412 8.295 399 HD13 LEU 51 3HD1 LEU 51 -0.092 3.147 7.978 400 HD21 LEU 51 3HD2 LEU 51 -0.389 2.489 5.418 401 HD22 LEU 51 1HD2 LEU 51 -1.965 1.827 5.868 402 HD23 LEU 51 2HD2 LEU 51 -0.783 0.808 5.049 403 H ALA 52 H ALA 52 2.147 -2.124 7.253 404 HA ALA 52 HA ALA 52 -0.138 -3.476 8.179 405 HB1 ALA 52 3HB ALA 52 1.224 -4.257 6.286 406 HB2 ALA 52 1HB ALA 52 0.990 -5.538 7.479 407 HB3 ALA 52 2HB ALA 52 2.535 -4.681 7.385 408 H LYS 53 H LYS 53 3.149 -3.343 9.517 409 HA LYS 53 HA LYS 53 2.853 -5.046 11.741 410 HB2 LYS 53 2HB LYS 53 4.632 -2.594 11.365 411 HB3 LYS 53 3HB LYS 53 4.813 -3.753 12.681 412 HG2 LYS 53 2HG LYS 53 5.459 -5.513 11.171 413 HG3 LYS 53 3HG LYS 53 4.989 -4.563 9.760 414 HD2 LYS 53 2HD LYS 53 7.435 -4.625 10.000 415 HD3 LYS 53 3HD LYS 53 6.830 -2.977 10.187 416 HE2 LYS 53 2HE LYS 53 8.577 -3.457 11.837 417 HE3 LYS 53 3HE LYS 53 7.034 -3.206 12.654 418 HZ1 LYS 53 3HZ LYS 53 8.200 -5.100 13.558 419 HZ2 LYS 53 1HZ LYS 53 8.277 -5.833 12.036 420 HZ3 LYS 53 2HZ LYS 53 6.779 -5.615 12.799 421 H LYS 54 H LYS 54 2.489 -1.521 11.448 422 HA LYS 54 HA LYS 54 1.761 -0.974 14.123 423 HB2 LYS 54 2HB LYS 54 1.418 0.633 11.568 424 HB3 LYS 54 3HB LYS 54 1.083 1.279 13.175 425 HG2 LYS 54 2HG LYS 54 3.394 1.061 13.836 426 HG3 LYS 54 3HG LYS 54 3.789 0.157 12.373 427 HD2 LYS 54 2HD LYS 54 4.599 2.473 12.221 428 HD3 LYS 54 3HD LYS 54 3.371 2.149 10.998 429 HE2 LYS 54 2HE LYS 54 1.690 3.325 12.376 430 HE3 LYS 54 3HE LYS 54 2.912 3.620 13.618 431 HZ1 LYS 54 3HZ LYS 54 2.594 5.541 12.188 432 HZ2 LYS 54 1HZ LYS 54 3.016 4.630 10.827 433 HZ3 LYS 54 2HZ LYS 54 4.164 4.931 12.036 434 H THR 55 H THR 55 -0.144 -2.080 11.437 435 HA THR 55 HA THR 55 -2.692 -1.451 12.785 436 HB THR 55 HB THR 55 -3.746 -2.317 10.665 437 HG1 THR 55 HG1 THR 55 -1.422 -2.125 9.201 438 HG21 THR 55 3HG2 THR 55 -3.159 -0.388 9.241 439 HG22 THR 55 1HG2 THR 55 -1.735 -0.076 10.239 440 HG23 THR 55 2HG2 THR 55 -3.351 0.109 10.923 441 H GLY 56 H GLY 56 -0.461 -4.077 12.459 442 HA2 GLY 56 2HA GLY 56 -0.528 -6.201 13.332 443 HA3 GLY 56 3HA GLY 56 -2.150 -5.898 13.936 444 H VAL 57 H VAL 57 -1.377 -5.461 10.578 445 HA VAL 57 HA VAL 57 -2.856 -7.950 9.837 446 HB VAL 57 HB VAL 57 -3.745 -6.910 7.870 447 HG11 VAL 57 1HG1 VAL 57 -5.133 -5.096 8.766 448 HG12 VAL 57 2HG1 VAL 57 -4.056 -4.936 10.159 449 HG13 VAL 57 3HG1 VAL 57 -4.985 -6.420 9.923 450 HG21 VAL 57 3HG2 VAL 57 -2.038 -4.456 8.442 451 HG22 VAL 57 1HG2 VAL 57 -3.274 -4.559 7.184 452 HG23 VAL 57 2HG2 VAL 57 -1.843 -5.587 7.103 453 H GLN 58 H GLN 58 -2.311 -8.573 7.447 454 HA GLN 58 HA GLN 58 0.614 -8.449 7.006 455 HB2 GLN 58 2HB GLN 58 -1.339 -10.600 6.065 456 HB3 GLN 58 3HB GLN 58 0.401 -10.592 5.780 457 HG2 GLN 58 2HG GLN 58 -1.006 -10.891 8.448 458 HG3 GLN 58 3HG GLN 58 -0.149 -12.149 7.562 459 HE21 GLN 58 1HE2 GLN 58 0.251 -11.138 10.274 460 HE22 GLN 58 2HE2 GLN 58 1.900 -10.632 10.362 461 H ILE 59 H ILE 59 1.251 -8.576 4.711 462 HA ILE 59 HA ILE 59 -0.481 -6.902 2.969 463 HB ILE 59 HB ILE 59 1.624 -6.201 1.839 464 HG12 ILE 59 2HG1 ILE 59 2.992 -7.968 3.921 465 HG13 ILE 59 3HG1 ILE 59 3.022 -8.178 2.174 466 HG21 ILE 59 1HG2 ILE 59 0.761 -4.866 3.742 467 HG22 ILE 59 2HG2 ILE 59 2.509 -4.742 3.582 468 HG23 ILE 59 3HG2 ILE 59 1.806 -5.765 4.838 469 HD11 ILE 59 3HD1 ILE 59 4.307 -6.092 1.973 470 HD12 ILE 59 1HD1 ILE 59 5.113 -7.320 2.947 471 HD13 ILE 59 2HD1 ILE 59 4.325 -5.956 3.737 472 H GLN 60 H GLN 60 -0.170 -7.309 0.626 473 HA GLN 60 HA GLN 60 0.884 -9.947 -0.149 474 HB2 GLN 60 2HB GLN 60 -1.614 -10.117 0.153 475 HB3 GLN 60 3HB GLN 60 -1.823 -8.840 -1.035 476 HG2 GLN 60 2HG GLN 60 -2.257 -10.997 -2.061 477 HG3 GLN 60 3HG GLN 60 -0.804 -10.298 -2.767 478 HE21 GLN 60 1HE2 GLN 60 1.174 -11.349 -2.466 479 HE22 GLN 60 2HE2 GLN 60 1.299 -12.918 -1.755 480 H LYS 61 H LYS 61 2.614 -9.123 -1.232 481 HA LYS 61 HA LYS 61 2.436 -6.786 -2.953 482 HB2 LYS 61 2HB LYS 61 4.757 -8.697 -2.465 483 HB3 LYS 61 3HB LYS 61 4.849 -7.181 -3.361 484 HG2 LYS 61 2HG LYS 61 4.269 -5.950 -1.282 485 HG3 LYS 61 3HG LYS 61 4.246 -7.483 -0.397 486 HD2 LYS 61 2HD LYS 61 6.638 -7.838 -0.974 487 HD3 LYS 61 3HD LYS 61 6.654 -6.311 -1.860 488 HE2 LYS 61 2HE LYS 61 6.203 -5.108 0.253 489 HE3 LYS 61 3HE LYS 61 6.228 -6.644 1.122 490 HZ1 LYS 61 3HZ LYS 61 8.497 -5.562 -0.445 491 HZ2 LYS 61 1HZ LYS 61 8.501 -6.955 0.508 492 HZ3 LYS 61 2HZ LYS 61 8.341 -5.437 1.233 493 H GLN 62 H GLN 62 1.747 -6.962 -4.968 494 HA GLN 62 HA GLN 62 2.361 -9.320 -6.618 495 HB2 GLN 62 2HB GLN 62 -0.051 -9.369 -5.914 496 HB3 GLN 62 3HB GLN 62 -0.270 -7.757 -6.586 497 HG2 GLN 62 2HG GLN 62 -1.152 -9.400 -8.150 498 HG3 GLN 62 3HG GLN 62 0.286 -8.654 -8.853 499 HE21 GLN 62 1HE2 GLN 62 0.695 -10.415 -10.228 500 HE22 GLN 62 2HE2 GLN 62 1.243 -11.946 -9.646 501 H TRP 63 H TRP 63 3.934 -8.434 -7.869 502 HA TRP 63 HA TRP 63 3.863 -5.842 -9.067 503 HB2 TRP 63 2HB TRP 63 5.331 -8.405 -9.824 504 HB3 TRP 63 3HB TRP 63 5.511 -6.903 -10.729 505 HD1 TRP 63 HD1 TRP 63 6.420 -8.459 -7.321 506 HE1 TRP 63 HE1 TRP 63 8.258 -7.014 -6.256 507 HE3 TRP 63 HE3 TRP 63 6.433 -4.542 -10.641 508 HZ2 TRP 63 HZ2 TRP 63 9.530 -4.555 -6.730 509 HZ3 TRP 63 HZ3 TRP 63 7.998 -2.675 -10.249 510 HH2 TRP 63 HH2 TRP 63 9.515 -2.687 -8.328 511 H GLN 64 H GLN 64 2.409 -5.198 -10.510 512 HA GLN 64 HA GLN 64 0.839 -7.145 -12.063 513 HB2 GLN 64 2HB GLN 64 -0.303 -5.520 -10.413 514 HB3 GLN 64 3HB GLN 64 0.245 -4.210 -11.444 515 HG2 GLN 64 2HG GLN 64 -2.083 -4.675 -11.918 516 HG3 GLN 64 3HG GLN 64 -1.109 -5.135 -13.314 517 HE21 GLN 64 1HE2 GLN 64 -2.911 -6.343 -10.556 518 HE22 GLN 64 2HE2 GLN 64 -3.147 -7.943 -11.166 519 H GLY 65 H GLY 65 2.491 -7.410 -13.618 520 HA2 GLY 65 2HA GLY 65 3.581 -7.014 -15.603 521 HA3 GLY 65 3HA GLY 65 2.815 -5.434 -15.699 522 H ASN 66 H ASN 66 3.707 -3.729 -14.339 523 HA ASN 66 HA ASN 66 6.492 -3.943 -13.452 524 HB2 ASN 66 2HB ASN 66 5.655 -2.209 -15.816 525 HB3 ASN 66 3HB ASN 66 7.078 -1.825 -14.860 526 HD21 ASN 66 1HD2 ASN 66 8.830 -3.341 -14.835 527 HD22 ASN 66 2HD2 ASN 66 9.054 -4.432 -16.156 528 H LYS 67 H LYS 67 3.516 -3.010 -12.757 529 HA LYS 67 HA LYS 67 4.289 -0.585 -11.229 530 HB2 LYS 67 2HB LYS 67 1.487 -1.508 -12.043 531 HB3 LYS 67 3HB LYS 67 1.856 -0.069 -11.093 532 HG2 LYS 67 2HG LYS 67 2.657 -0.560 -13.983 533 HG3 LYS 67 3HG LYS 67 1.368 0.513 -13.424 534 HD2 LYS 67 2HD LYS 67 2.990 1.977 -12.332 535 HD3 LYS 67 3HD LYS 67 4.309 0.860 -12.694 536 HE2 LYS 67 2HE LYS 67 4.417 2.708 -14.241 537 HE3 LYS 67 3HE LYS 67 3.914 1.276 -15.136 538 HZ1 LYS 67 3HZ LYS 67 2.635 3.236 -15.747 539 HZ2 LYS 67 1HZ LYS 67 2.097 3.417 -14.154 540 HZ3 LYS 67 2HZ LYS 67 1.637 2.059 -15.057 541 H LEU 68 H LEU 68 4.165 -0.726 -9.004 542 HA LEU 68 HA LEU 68 4.052 -3.436 -7.947 543 HB2 LEU 68 2HB LEU 68 5.944 -2.040 -7.314 544 HB3 LEU 68 3HB LEU 68 4.871 -0.776 -6.735 545 HG LEU 68 HG LEU 68 4.089 -2.299 -4.900 546 HD11 LEU 68 1HD1 LEU 68 5.313 -4.364 -4.392 547 HD12 LEU 68 2HD1 LEU 68 6.226 -4.199 -5.896 548 HD13 LEU 68 3HD1 LEU 68 4.480 -4.458 -5.943 549 HD21 LEU 68 3HD2 LEU 68 5.899 -0.667 -4.523 550 HD22 LEU 68 1HD2 LEU 68 7.089 -1.911 -4.914 551 HD23 LEU 68 2HD2 LEU 68 6.046 -2.094 -3.501 552 H ARG 69 H ARG 69 2.173 -4.206 -7.218 553 HA ARG 69 HA ARG 69 0.088 -2.384 -6.164 554 HB2 ARG 69 2HB ARG 69 -0.513 -3.335 -8.335 555 HB3 ARG 69 3HB ARG 69 -0.161 -4.960 -7.757 556 HG2 ARG 69 2HG ARG 69 -2.051 -4.800 -6.168 557 HG3 ARG 69 3HG ARG 69 -2.392 -3.166 -6.745 558 HD2 ARG 69 2HD ARG 69 -2.481 -5.678 -8.441 559 HD3 ARG 69 3HD ARG 69 -3.886 -4.864 -7.747 560 HE ARG 69 HE ARG 69 -2.136 -3.324 -9.525 561 HH11 ARG 69 1HH1 ARG 69 -5.201 -4.994 -9.089 562 HH12 ARG 69 2HH1 ARG 69 -5.924 -4.257 -10.478 563 HH21 ARG 69 1HH2 ARG 69 -3.093 -2.350 -11.320 564 HH22 ARG 69 2HH2 ARG 69 -4.725 -2.747 -11.754 565 H ILE 70 H ILE 70 -0.025 -2.617 -4.021 566 HA ILE 70 HA ILE 70 0.463 -5.268 -2.769 567 HB ILE 70 HB ILE 70 0.869 -2.498 -1.540 568 HG12 ILE 70 2HG1 ILE 70 2.895 -4.680 -2.272 569 HG13 ILE 70 3HG1 ILE 70 2.693 -3.138 -3.097 570 HG21 ILE 70 1HG2 ILE 70 -0.004 -4.072 0.148 571 HG22 ILE 70 2HG2 ILE 70 1.684 -3.692 0.483 572 HG23 ILE 70 3HG2 ILE 70 1.259 -5.238 -0.257 573 HD11 ILE 70 3HD1 ILE 70 4.650 -3.115 -1.677 574 HD12 ILE 70 1HD1 ILE 70 3.676 -3.516 -0.262 575 HD13 ILE 70 2HD1 ILE 70 3.455 -1.965 -1.081 576 H ARG 71 H ARG 71 -1.342 -6.189 -2.054 577 HA ARG 71 HA ARG 71 -3.736 -4.634 -1.405 578 HB2 ARG 71 2HB ARG 71 -4.111 -6.597 -2.831 579 HB3 ARG 71 3HB ARG 71 -3.290 -7.638 -1.669 580 HG2 ARG 71 2HG ARG 71 -5.105 -7.121 0.001 581 HG3 ARG 71 3HG ARG 71 -5.939 -6.201 -1.252 582 HD2 ARG 71 2HD ARG 71 -6.229 -8.215 -2.587 583 HD3 ARG 71 3HD ARG 71 -5.271 -9.152 -1.434 584 HE ARG 71 HE ARG 71 -7.213 -8.272 0.167 585 HH11 ARG 71 1HH1 ARG 71 -7.465 -9.677 -3.036 586 HH12 ARG 71 2HH1 ARG 71 -9.033 -10.358 -2.754 587 HH21 ARG 71 1HH2 ARG 71 -9.289 -9.162 0.526 588 HH22 ARG 71 2HH2 ARG 71 -10.065 -10.063 -0.735 589 H LEU 72 H LEU 72 -4.359 -4.314 0.634 590 HA LEU 72 HA LEU 72 -2.955 -5.616 2.880 591 HB2 LEU 72 2HB LEU 72 -4.617 -3.060 2.915 592 HB3 LEU 72 3HB LEU 72 -3.675 -3.717 4.248 593 HG LEU 72 HG LEU 72 -2.628 -2.426 1.697 594 HD11 LEU 72 1HD1 LEU 72 -1.625 -0.803 3.204 595 HD12 LEU 72 2HD1 LEU 72 -2.297 -1.650 4.601 596 HD13 LEU 72 3HD1 LEU 72 -3.368 -0.885 3.425 597 HD21 LEU 72 3HD2 LEU 72 -1.179 -4.329 2.172 598 HD22 LEU 72 1HD2 LEU 72 -0.984 -3.802 3.845 599 HD23 LEU 72 2HD2 LEU 72 -0.347 -2.818 2.522 600 H LYS 73 H LYS 73 -4.139 -6.804 4.258 601 HA LYS 73 HA LYS 73 -7.035 -7.168 3.753 602 HB2 LYS 73 2HB LYS 73 -6.710 -9.313 5.062 603 HB3 LYS 73 3HB LYS 73 -5.858 -9.218 3.529 604 HG2 LYS 73 2HG LYS 73 -3.878 -8.345 5.212 605 HG3 LYS 73 3HG LYS 73 -4.761 -9.415 6.303 606 HD2 LYS 73 2HD LYS 73 -2.972 -10.671 5.210 607 HD3 LYS 73 3HD LYS 73 -4.528 -11.259 4.617 608 HE2 LYS 73 2HE LYS 73 -4.238 -9.817 2.573 609 HE3 LYS 73 3HE LYS 73 -2.642 -9.353 3.172 610 HZ1 LYS 73 3HZ LYS 73 -3.483 -12.130 2.552 611 HZ2 LYS 73 1HZ LYS 73 -1.938 -11.635 3.020 612 HZ3 LYS 73 2HZ LYS 73 -2.568 -11.145 1.524 613 H GLY 74 H GLY 74 -8.517 -7.175 5.550 614 HA2 GLY 74 2HA GLY 74 -7.930 -5.091 7.456 615 HA3 GLY 74 3HA GLY 74 -9.447 -5.961 7.259 616 H SER 75 H SER 75 -8.618 -8.580 7.550 617 HA SER 75 HA SER 75 -6.964 -9.033 9.835 618 HB2 SER 75 2HB SER 75 -8.794 -9.909 11.355 619 HB3 SER 75 3HB SER 75 -8.906 -8.173 11.073 620 HG SER 75 HG SER 75 -10.365 -8.947 9.239 621 H LEU 76 H LEU 76 -6.066 -10.995 9.373 622 HA LEU 76 HA LEU 76 -7.694 -13.214 8.324 623 HB2 LEU 76 2HB LEU 76 -4.796 -13.187 9.299 624 HB3 LEU 76 3HB LEU 76 -5.606 -14.557 8.553 625 HG LEU 76 HG LEU 76 -4.902 -11.929 7.195 626 HD11 LEU 76 1HD1 LEU 76 -3.718 -14.693 6.799 627 HD12 LEU 76 2HD1 LEU 76 -2.940 -13.318 7.589 628 HD13 LEU 76 3HD1 LEU 76 -3.314 -13.241 5.871 629 HD21 LEU 76 3HD2 LEU 76 -6.995 -12.782 6.279 630 HD22 LEU 76 1HD2 LEU 76 -6.265 -14.367 6.001 631 HD23 LEU 76 2HD2 LEU 76 -5.696 -12.954 5.106 632 H GLU 77 H GLU 77 -6.032 -12.091 11.237 633 HA GLU 77 HA GLU 77 -6.697 -14.368 12.870 634 HB2 GLU 77 2HB GLU 77 -5.152 -11.804 13.300 635 HB3 GLU 77 3HB GLU 77 -5.617 -12.775 14.689 636 HG2 GLU 77 2HG GLU 77 -3.313 -13.246 13.916 637 HG3 GLU 77 3HG GLU 77 -4.355 -14.665 13.903 638 H HIS 78 H HIS 78 -8.962 -12.514 11.838 639 HA HIS 78 HA HIS 78 -10.451 -12.139 14.264 640 HB2 HIS 78 2HB HIS 78 -12.463 -12.143 12.814 641 HB3 HIS 78 3HB HIS 78 -11.230 -11.047 12.213 642 HD1 HIS 78 HD1 HIS 78 -10.806 -11.210 9.763 643 HD2 HIS 78 HD2 HIS 78 -12.479 -14.717 11.234 644 HE1 HIS 78 HE1 HIS 78 -11.242 -12.649 7.761 645 HE2 HIS 78 HE2 HIS 78 -12.429 -14.664 8.660 646 H HIS 79 H HIS 79 -9.236 -14.851 12.640 647 HA HIS 79 HA HIS 79 -11.006 -16.900 13.552 648 HB2 HIS 79 2HB HIS 79 -8.005 -17.103 12.957 649 HB3 HIS 79 3HB HIS 79 -9.145 -18.447 13.035 650 HD1 HIS 79 HD1 HIS 79 -7.308 -17.090 10.564 651 HD2 HIS 79 HD2 HIS 79 -11.432 -17.388 10.982 652 HE1 HIS 79 HE1 HIS 79 -8.245 -16.875 8.244 653 HE2 HIS 79 HE2 HIS 79 -10.715 -17.243 8.509 654 H HIS 80 H HIS 80 -11.244 -17.609 15.601 655 HA HIS 80 HA HIS 80 -9.273 -16.908 17.710 656 HB2 HIS 80 2HB HIS 80 -12.232 -17.643 17.854 657 HB3 HIS 80 3HB HIS 80 -11.208 -17.534 19.281 658 HD1 HIS 80 HD1 HIS 80 -10.846 -15.294 20.283 659 HD2 HIS 80 HD2 HIS 80 -12.550 -15.047 16.499 660 HE1 HIS 80 HE1 HIS 80 -11.485 -12.889 19.986 661 HE2 HIS 80 HE2 HIS 80 -12.278 -12.732 17.605 662 H HIS 81 H HIS 81 -9.776 -19.392 15.667 663 HA HIS 81 HA HIS 81 -8.468 -21.335 17.386 664 HB2 HIS 81 2HB HIS 81 -10.772 -21.860 18.002 665 HB3 HIS 81 3HB HIS 81 -11.297 -21.818 16.319 666 HD1 HIS 81 HD1 HIS 81 -8.885 -23.878 18.466 667 HD2 HIS 81 HD2 HIS 81 -11.493 -24.328 15.266 668 HE1 HIS 81 HE1 HIS 81 -8.821 -26.312 17.873 669 HE2 HIS 81 HE2 HIS 81 -10.534 -26.579 16.052 670 H HIS 82 H HIS 82 -7.233 -22.729 16.228 671 HA HIS 82 HA HIS 82 -8.031 -23.891 13.780 672 HB2 HIS 82 2HB HIS 82 -6.151 -23.203 12.304 673 HB3 HIS 82 3HB HIS 82 -7.168 -21.836 12.724 674 HD1 HIS 82 HD1 HIS 82 -6.014 -19.824 13.685 675 HD2 HIS 82 HD2 HIS 82 -3.567 -23.185 13.675 676 HE1 HIS 82 HE1 HIS 82 -3.722 -18.999 14.271 677 HE2 HIS 82 HE2 HIS 82 -2.273 -21.053 14.305 678 H HIS 83 H HIS 83 -6.018 -25.286 12.922 679 HA HIS 83 HA HIS 83 -4.296 -26.165 15.128 680 HB2 HIS 83 2HB HIS 83 -4.894 -28.570 14.781 681 HB3 HIS 83 3HB HIS 83 -6.209 -27.611 15.437 682 HD1 HIS 83 HD1 HIS 83 -5.674 -30.203 13.093 683 HD2 HIS 83 HD2 HIS 83 -8.082 -26.815 13.130 684 HE1 HIS 83 HE1 HIS 83 -7.454 -30.607 11.370 685 HE2 HIS 83 HE2 HIS 83 -8.960 -28.600 11.501 Start of MODEL 4 1 H1 MET 1 1H MET 1 -14.703 -8.782 2.143 2 H2 MET 1 2H MET 1 -14.995 -10.225 1.324 3 H3 MET 1 3H MET 1 -15.744 -9.932 2.808 4 HA MET 1 HA MET 1 -17.250 -9.644 0.932 5 HB2 MET 1 2HB MET 1 -16.571 -7.096 2.470 6 HB3 MET 1 3HB MET 1 -18.056 -7.329 1.556 7 HG2 MET 1 2HG MET 1 -18.518 -7.660 3.894 8 HG3 MET 1 3HG MET 1 -18.649 -9.216 3.076 9 HE1 MET 1 3HE MET 1 -17.278 -10.105 6.701 10 HE2 MET 1 1HE MET 1 -18.574 -10.409 5.541 11 HE3 MET 1 2HE MET 1 -18.410 -8.817 6.289 12 H GLY 2 H GLY 2 -17.819 -8.431 -0.965 13 HA2 GLY 2 2HA GLY 2 -15.566 -7.652 -2.622 14 HA3 GLY 2 3HA GLY 2 -17.250 -7.777 -3.113 15 H LEU 3 H LEU 3 -15.132 -5.786 -1.067 16 HA LEU 3 HA LEU 3 -16.247 -3.336 -2.286 17 HB2 LEU 3 2HB LEU 3 -16.553 -2.207 -0.266 18 HB3 LEU 3 3HB LEU 3 -17.154 -3.809 0.109 19 HG LEU 3 HG LEU 3 -14.420 -2.729 0.945 20 HD11 LEU 3 1HD1 LEU 3 -16.910 -3.093 2.629 21 HD12 LEU 3 2HD1 LEU 3 -16.228 -1.557 2.088 22 HD13 LEU 3 3HD1 LEU 3 -15.321 -2.574 3.204 23 HD21 LEU 3 3HD2 LEU 3 -14.379 -5.177 0.707 24 HD22 LEU 3 1HD2 LEU 3 -15.773 -5.318 1.783 25 HD23 LEU 3 2HD2 LEU 3 -14.235 -4.701 2.398 26 H THR 4 H THR 4 -13.672 -5.240 -2.028 27 HA THR 4 HA THR 4 -11.549 -3.539 -1.128 28 HB THR 4 HB THR 4 -11.333 -6.092 -2.788 29 HG1 THR 4 HG1 THR 4 -11.912 -5.675 -0.059 30 HG21 THR 4 3HG2 THR 4 -9.178 -4.879 -2.506 31 HG22 THR 4 1HG2 THR 4 -9.177 -6.403 -1.617 32 HG23 THR 4 2HG2 THR 4 -9.404 -4.880 -0.755 33 H ARG 5 H ARG 5 -12.039 -1.703 -2.426 34 HA ARG 5 HA ARG 5 -12.034 -1.658 -5.266 35 HB2 ARG 5 2HB ARG 5 -12.225 0.737 -5.073 36 HB3 ARG 5 3HB ARG 5 -13.188 0.017 -3.787 37 HG2 ARG 5 2HG ARG 5 -11.348 0.497 -2.176 38 HG3 ARG 5 3HG ARG 5 -10.438 1.275 -3.473 39 HD2 ARG 5 2HD ARG 5 -12.540 2.811 -3.711 40 HD3 ARG 5 3HD ARG 5 -12.979 2.202 -2.110 41 HE ARG 5 HE ARG 5 -10.294 3.142 -2.188 42 HH11 ARG 5 1HH1 ARG 5 -13.612 4.303 -1.868 43 HH12 ARG 5 2HH1 ARG 5 -13.130 5.764 -1.069 44 HH21 ARG 5 1HH2 ARG 5 -9.702 5.138 -1.311 45 HH22 ARG 5 2HH2 ARG 5 -10.925 6.233 -0.761 46 H THR 6 H THR 6 -10.518 -0.349 -6.588 47 HA THR 6 HA THR 6 -7.711 -1.022 -5.944 48 HB THR 6 HB THR 6 -9.025 -0.684 -8.686 49 HG1 THR 6 HG1 THR 6 -8.131 -3.026 -7.312 50 HG21 THR 6 3HG2 THR 6 -6.603 -0.085 -8.724 51 HG22 THR 6 1HG2 THR 6 -6.898 -1.602 -9.579 52 HG23 THR 6 2HG2 THR 6 -6.209 -1.628 -7.957 53 H ILE 7 H ILE 7 -6.455 0.691 -5.549 54 HA ILE 7 HA ILE 7 -7.131 3.360 -6.681 55 HB ILE 7 HB ILE 7 -5.654 2.781 -4.068 56 HG12 ILE 7 2HG1 ILE 7 -8.530 3.746 -4.436 57 HG13 ILE 7 3HG1 ILE 7 -8.054 2.144 -3.881 58 HG21 ILE 7 1HG2 ILE 7 -6.667 5.416 -5.201 59 HG22 ILE 7 2HG2 ILE 7 -4.981 4.900 -5.121 60 HG23 ILE 7 3HG2 ILE 7 -5.879 5.196 -3.635 61 HD11 ILE 7 3HD1 ILE 7 -7.540 4.743 -2.431 62 HD12 ILE 7 1HD1 ILE 7 -7.049 3.137 -1.880 63 HD13 ILE 7 2HD1 ILE 7 -8.759 3.533 -2.036 64 H THR 8 H THR 8 -5.722 3.793 -8.284 65 HA THR 8 HA THR 8 -2.919 2.857 -8.114 66 HB THR 8 HB THR 8 -2.894 3.409 -10.634 67 HG1 THR 8 HG1 THR 8 -5.728 3.348 -10.299 68 HG21 THR 8 3HG2 THR 8 -4.007 1.298 -11.301 69 HG22 THR 8 1HG2 THR 8 -4.778 1.202 -9.714 70 HG23 THR 8 2HG2 THR 8 -3.023 1.067 -9.853 71 H SER 9 H SER 9 -1.658 4.390 -7.219 72 HA SER 9 HA SER 9 -1.799 7.166 -8.199 73 HB2 SER 9 2HB SER 9 -3.106 7.113 -6.069 74 HB3 SER 9 3HB SER 9 -1.705 6.452 -5.229 75 HG SER 9 HG SER 9 -1.943 8.743 -5.000 76 H GLN 10 H GLN 10 0.156 8.346 -7.926 77 HA GLN 10 HA GLN 10 2.590 6.762 -7.325 78 HB2 GLN 10 2HB GLN 10 2.265 9.264 -9.044 79 HB3 GLN 10 3HB GLN 10 3.815 8.514 -8.658 80 HG2 GLN 10 2HG GLN 10 3.103 6.452 -9.802 81 HG3 GLN 10 3HG GLN 10 1.556 7.204 -10.197 82 HE21 GLN 10 1HE2 GLN 10 1.919 6.911 -12.408 83 HE22 GLN 10 2HE2 GLN 10 3.052 7.869 -13.298 84 H ASN 11 H ASN 11 0.624 8.391 -5.540 85 HA ASN 11 HA ASN 11 2.750 9.677 -3.930 86 HB2 ASN 11 2HB ASN 11 1.117 11.374 -4.644 87 HB3 ASN 11 3HB ASN 11 -0.225 10.342 -4.175 88 HD21 ASN 11 1HD2 ASN 11 -1.079 11.978 -2.852 89 HD22 ASN 11 2HD2 ASN 11 -0.364 12.405 -1.337 90 H LYS 12 H LYS 12 3.310 7.981 -2.642 91 HA LYS 12 HA LYS 12 1.436 5.948 -1.862 92 HB2 LYS 12 2HB LYS 12 3.309 4.915 -0.607 93 HB3 LYS 12 3HB LYS 12 3.694 5.251 -2.279 94 HG2 LYS 12 2HG LYS 12 5.664 5.793 -1.155 95 HG3 LYS 12 3HG LYS 12 4.898 7.364 -1.403 96 HD2 LYS 12 2HD LYS 12 4.109 7.362 0.934 97 HD3 LYS 12 3HD LYS 12 4.798 5.756 1.185 98 HE2 LYS 12 2HE LYS 12 6.215 7.570 2.118 99 HE3 LYS 12 3HE LYS 12 7.046 6.632 0.882 100 HZ1 LYS 12 3HZ LYS 12 5.778 9.280 0.467 101 HZ2 LYS 12 1HZ LYS 12 6.597 8.391 -0.710 102 HZ3 LYS 12 2HZ LYS 12 7.430 9.006 0.626 103 H GLU 13 H GLU 13 2.240 8.989 -0.524 104 HA GLU 13 HA GLU 13 1.937 8.458 2.241 105 HB2 GLU 13 2HB GLU 13 1.497 11.048 0.678 106 HB3 GLU 13 3HB GLU 13 1.519 10.947 2.436 107 HG2 GLU 13 2HG GLU 13 3.682 11.601 2.126 108 HG3 GLU 13 3HG GLU 13 3.929 9.867 1.996 109 H GLU 14 H GLU 14 -0.375 9.802 -0.183 110 HA GLU 14 HA GLU 14 -2.631 9.839 1.519 111 HB2 GLU 14 2HB GLU 14 -3.973 10.207 -0.454 112 HB3 GLU 14 3HB GLU 14 -2.474 11.109 -0.644 113 HG2 GLU 14 2HG GLU 14 -1.606 9.380 -2.159 114 HG3 GLU 14 3HG GLU 14 -3.082 8.436 -1.957 115 H LEU 15 H LEU 15 -1.176 7.326 -0.493 116 HA LEU 15 HA LEU 15 -3.288 5.435 -0.455 117 HB2 LEU 15 2HB LEU 15 -0.282 5.010 -0.735 118 HB3 LEU 15 3HB LEU 15 -1.475 3.739 -0.975 119 HG LEU 15 HG LEU 15 -1.162 6.254 -2.664 120 HD11 LEU 15 1HD1 LEU 15 -0.519 4.746 -4.472 121 HD12 LEU 15 2HD1 LEU 15 -0.640 3.359 -3.383 122 HD13 LEU 15 3HD1 LEU 15 0.583 4.602 -3.102 123 HD21 LEU 15 3HD2 LEU 15 -3.518 5.680 -2.492 124 HD22 LEU 15 1HD2 LEU 15 -3.176 4.005 -2.942 125 HD23 LEU 15 2HD2 LEU 15 -2.920 5.310 -4.104 126 H LEU 16 H LEU 16 -0.720 6.207 1.832 127 HA LEU 16 HA LEU 16 -1.089 3.948 3.587 128 HB2 LEU 16 2HB LEU 16 0.169 6.667 4.084 129 HB3 LEU 16 3HB LEU 16 0.219 5.341 5.239 130 HG LEU 16 HG LEU 16 1.460 5.263 2.467 131 HD11 LEU 16 1HD1 LEU 16 2.834 5.649 5.135 132 HD12 LEU 16 2HD1 LEU 16 2.575 6.899 3.914 133 HD13 LEU 16 3HD1 LEU 16 3.605 5.520 3.550 134 HD21 LEU 16 3HD2 LEU 16 1.691 3.302 4.775 135 HD22 LEU 16 1HD2 LEU 16 2.560 3.211 3.238 136 HD23 LEU 16 2HD2 LEU 16 0.810 3.038 3.267 137 H GLU 17 H GLU 17 -2.321 7.258 3.467 138 HA GLU 17 HA GLU 17 -3.652 7.244 5.995 139 HB2 GLU 17 2HB GLU 17 -4.116 9.024 3.560 140 HB3 GLU 17 3HB GLU 17 -4.675 9.357 5.203 141 HG2 GLU 17 2HG GLU 17 -2.313 9.460 5.971 142 HG3 GLU 17 3HG GLU 17 -1.771 9.154 4.322 143 H ILE 18 H ILE 18 -4.787 6.677 2.654 144 HA ILE 18 HA ILE 18 -7.535 6.221 3.286 145 HB ILE 18 HB ILE 18 -5.996 5.167 0.863 146 HG12 ILE 18 2HG1 ILE 18 -7.686 7.711 0.973 147 HG13 ILE 18 3HG1 ILE 18 -5.936 7.709 1.144 148 HG21 ILE 18 1HG2 ILE 18 -8.240 5.059 -0.226 149 HG22 ILE 18 2HG2 ILE 18 -8.989 5.544 1.295 150 HG23 ILE 18 3HG2 ILE 18 -8.135 4.003 1.182 151 HD11 ILE 18 3HD1 ILE 18 -6.585 8.294 -1.112 152 HD12 ILE 18 1HD1 ILE 18 -7.467 6.779 -1.289 153 HD13 ILE 18 2HD1 ILE 18 -5.710 6.765 -1.110 154 H ALA 19 H ALA 19 -4.677 4.160 2.950 155 HA ALA 19 HA ALA 19 -5.799 1.619 3.257 156 HB1 ALA 19 3HB ALA 19 -3.117 2.653 4.218 157 HB2 ALA 19 1HB ALA 19 -3.466 1.963 2.629 158 HB3 ALA 19 2HB ALA 19 -3.556 0.950 4.071 159 H LEU 20 H LEU 20 -4.422 3.769 5.717 160 HA LEU 20 HA LEU 20 -4.821 2.244 7.986 161 HB2 LEU 20 2HB LEU 20 -3.359 4.187 7.963 162 HB3 LEU 20 3HB LEU 20 -4.708 5.260 7.641 163 HG LEU 20 HG LEU 20 -5.623 4.782 9.921 164 HD11 LEU 20 1HD1 LEU 20 -4.727 2.552 10.298 165 HD12 LEU 20 2HD1 LEU 20 -4.271 3.633 11.610 166 HD13 LEU 20 3HD1 LEU 20 -3.084 3.197 10.377 167 HD21 LEU 20 3HD2 LEU 20 -4.225 6.752 9.576 168 HD22 LEU 20 1HD2 LEU 20 -2.774 5.811 9.941 169 HD23 LEU 20 2HD2 LEU 20 -3.992 6.086 11.191 170 H LYS 21 H LYS 21 -7.082 4.534 6.414 171 HA LYS 21 HA LYS 21 -9.026 4.454 8.514 172 HB2 LYS 21 2HB LYS 21 -10.436 5.802 7.183 173 HB3 LYS 21 3HB LYS 21 -8.813 6.307 6.741 174 HG2 LYS 21 2HG LYS 21 -8.961 5.003 4.674 175 HG3 LYS 21 3HG LYS 21 -10.560 4.427 5.116 176 HD2 LYS 21 2HD LYS 21 -9.873 7.358 4.679 177 HD3 LYS 21 3HD LYS 21 -10.493 6.303 3.409 178 HE2 LYS 21 2HE LYS 21 -12.371 7.527 4.234 179 HE3 LYS 21 3HE LYS 21 -12.530 5.905 4.896 180 HZ1 LYS 21 3HZ LYS 21 -13.020 7.604 6.530 181 HZ2 LYS 21 1HZ LYS 21 -11.479 8.272 6.347 182 HZ3 LYS 21 2HZ LYS 21 -11.659 6.723 6.998 183 H PHE 22 H PHE 22 -8.500 2.498 5.600 184 HA PHE 22 HA PHE 22 -11.011 1.091 5.696 185 HB2 PHE 22 2HB PHE 22 -8.440 0.761 4.146 186 HB3 PHE 22 3HB PHE 22 -9.489 -0.645 4.266 187 HD1 PHE 22 HD1 PHE 22 -9.589 2.988 3.290 188 HD2 PHE 22 HD2 PHE 22 -11.218 -0.920 2.699 189 HE1 PHE 22 HE1 PHE 22 -10.924 3.826 1.410 190 HE2 PHE 22 HE2 PHE 22 -12.556 -0.068 0.827 191 HZ PHE 22 HZ PHE 22 -12.412 2.301 0.178 192 H ILE 23 H ILE 23 -7.721 0.412 6.841 193 HA ILE 23 HA ILE 23 -8.244 -2.259 7.719 194 HB ILE 23 HB ILE 23 -5.911 -0.427 8.434 195 HG12 ILE 23 2HG1 ILE 23 -6.049 -0.665 5.983 196 HG13 ILE 23 3HG1 ILE 23 -4.655 -1.547 6.584 197 HG21 ILE 23 1HG2 ILE 23 -6.144 -3.449 8.601 198 HG22 ILE 23 2HG2 ILE 23 -6.050 -2.323 9.956 199 HG23 ILE 23 3HG2 ILE 23 -4.663 -2.526 8.886 200 HD11 ILE 23 3HD1 ILE 23 -5.908 -3.646 6.352 201 HD12 ILE 23 1HD1 ILE 23 -5.765 -2.760 4.835 202 HD13 ILE 23 2HD1 ILE 23 -7.288 -2.737 5.722 203 H SER 24 H SER 24 -8.211 0.939 9.214 204 HA SER 24 HA SER 24 -8.509 0.425 11.918 205 HB2 SER 24 2HB SER 24 -8.321 2.706 10.928 206 HB3 SER 24 3HB SER 24 -9.955 2.563 10.283 207 HG SER 24 HG SER 24 -10.381 3.526 12.131 208 H GLN 25 H GLN 25 -10.924 0.310 9.359 209 HA GLN 25 HA GLN 25 -13.098 -0.416 11.188 210 HB2 GLN 25 2HB GLN 25 -13.084 0.150 8.191 211 HB3 GLN 25 3HB GLN 25 -14.528 -0.116 9.171 212 HG2 GLN 25 2HG GLN 25 -14.076 1.912 10.454 213 HG3 GLN 25 3HG GLN 25 -12.562 2.164 9.585 214 HE21 GLN 25 1HE2 GLN 25 -12.640 2.934 7.453 215 HE22 GLN 25 2HE2 GLN 25 -14.050 3.656 6.782 216 H GLY 26 H GLY 26 -10.698 -2.057 9.550 217 HA2 GLY 26 2HA GLY 26 -10.330 -4.341 9.404 218 HA3 GLY 26 3HA GLY 26 -12.006 -4.646 9.841 219 H LEU 27 H LEU 27 -11.713 -2.411 7.331 220 HA LEU 27 HA LEU 27 -12.851 -4.194 5.359 221 HB2 LEU 27 2HB LEU 27 -11.932 -1.324 4.902 222 HB3 LEU 27 3HB LEU 27 -13.103 -2.238 3.959 223 HG LEU 27 HG LEU 27 -13.496 -1.155 6.777 224 HD11 LEU 27 1HD1 LEU 27 -14.784 -0.315 4.164 225 HD12 LEU 27 2HD1 LEU 27 -13.566 0.584 5.076 226 HD13 LEU 27 3HD1 LEU 27 -15.163 0.320 5.770 227 HD21 LEU 27 3HD2 LEU 27 -14.675 -3.275 6.580 228 HD22 LEU 27 1HD2 LEU 27 -15.443 -2.752 5.077 229 HD23 LEU 27 2HD2 LEU 27 -15.827 -1.944 6.601 230 H ASP 28 H ASP 28 -11.827 -4.979 3.538 231 HA ASP 28 HA ASP 28 -8.938 -4.872 3.341 232 HB2 ASP 28 2HB ASP 28 -11.001 -6.174 1.508 233 HB3 ASP 28 3HB ASP 28 -9.255 -6.382 1.384 234 H LEU 29 H LEU 29 -7.770 -3.851 1.734 235 HA LEU 29 HA LEU 29 -9.130 -2.162 -0.267 236 HB2 LEU 29 2HB LEU 29 -8.566 -0.704 1.678 237 HB3 LEU 29 3HB LEU 29 -6.890 -1.221 1.579 238 HG LEU 29 HG LEU 29 -6.715 -0.147 -0.691 239 HD11 LEU 29 1HD1 LEU 29 -8.480 1.350 -1.479 240 HD12 LEU 29 2HD1 LEU 29 -9.515 0.859 -0.135 241 HD13 LEU 29 3HD1 LEU 29 -9.046 -0.314 -1.371 242 HD21 LEU 29 3HD2 LEU 29 -5.992 1.112 1.277 243 HD22 LEU 29 1HD2 LEU 29 -7.627 1.747 1.499 244 HD23 LEU 29 2HD2 LEU 29 -6.687 2.188 0.068 245 H GLU 30 H GLU 30 -8.040 -2.143 -2.236 246 HA GLU 30 HA GLU 30 -5.374 -3.439 -2.335 247 HB2 GLU 30 2HB GLU 30 -7.242 -4.761 -3.379 248 HB3 GLU 30 3HB GLU 30 -7.533 -3.436 -4.493 249 HG2 GLU 30 2HG GLU 30 -4.762 -4.574 -4.432 250 HG3 GLU 30 3HG GLU 30 -6.024 -5.606 -5.098 251 H VAL 31 H VAL 31 -3.795 -2.132 -2.916 252 HA VAL 31 HA VAL 31 -4.345 0.277 -4.567 253 HB VAL 31 HB VAL 31 -2.459 1.429 -3.319 254 HG11 VAL 31 1HG1 VAL 31 -3.771 2.051 -1.317 255 HG12 VAL 31 2HG1 VAL 31 -4.844 0.675 -1.587 256 HG13 VAL 31 3HG1 VAL 31 -4.781 1.989 -2.763 257 HG21 VAL 31 3HG2 VAL 31 -2.705 -0.878 -1.338 258 HG22 VAL 31 1HG2 VAL 31 -1.759 0.595 -1.093 259 HG23 VAL 31 2HG2 VAL 31 -1.313 -0.537 -2.368 260 H GLU 32 H GLU 32 -3.185 0.324 -6.396 261 HA GLU 32 HA GLU 32 -0.678 -1.246 -6.621 262 HB2 GLU 32 2HB GLU 32 -2.372 -2.128 -8.148 263 HB3 GLU 32 3HB GLU 32 -2.685 -0.520 -8.799 264 HG2 GLU 32 2HG GLU 32 -0.423 -0.440 -9.775 265 HG3 GLU 32 3HG GLU 32 -0.034 -1.996 -9.042 266 H PHE 33 H PHE 33 1.026 0.054 -6.523 267 HA PHE 33 HA PHE 33 0.886 2.904 -7.021 268 HB2 PHE 33 2HB PHE 33 2.250 1.699 -5.195 269 HB3 PHE 33 3HB PHE 33 3.346 1.190 -6.467 270 HD1 PHE 33 HD1 PHE 33 2.002 4.127 -4.639 271 HD2 PHE 33 HD2 PHE 33 4.998 2.717 -7.349 272 HE1 PHE 33 HE1 PHE 33 3.248 6.218 -4.354 273 HE2 PHE 33 HE2 PHE 33 6.223 4.818 -7.062 274 HZ PHE 33 HZ PHE 33 5.359 6.564 -5.562 275 H ASP 34 H ASP 34 0.557 3.268 -9.189 276 HA ASP 34 HA ASP 34 1.794 1.562 -11.212 277 HB2 ASP 34 2HB ASP 34 -0.648 2.265 -11.326 278 HB3 ASP 34 3HB ASP 34 -0.114 3.910 -11.641 279 H SER 35 H SER 35 3.936 2.195 -10.781 280 HA SER 35 HA SER 35 4.867 4.604 -12.187 281 HB2 SER 35 2HB SER 35 4.681 5.331 -9.841 282 HB3 SER 35 3HB SER 35 5.578 3.919 -9.291 283 HG SER 35 HG SER 35 6.556 6.233 -9.873 284 H THR 36 H THR 36 7.015 4.437 -12.914 285 HA THR 36 HA THR 36 8.278 1.756 -12.809 286 HB THR 36 HB THR 36 9.505 2.511 -14.889 287 HG1 THR 36 HG1 THR 36 8.107 4.843 -14.349 288 HG21 THR 36 3HG2 THR 36 7.640 2.195 -16.455 289 HG22 THR 36 1HG2 THR 36 6.473 2.531 -15.170 290 HG23 THR 36 2HG2 THR 36 7.481 1.085 -15.095 291 H ASP 37 H ASP 37 8.476 4.510 -11.116 292 HA ASP 37 HA ASP 37 11.389 4.889 -11.190 293 HB2 ASP 37 2HB ASP 37 9.884 6.894 -11.081 294 HB3 ASP 37 3HB ASP 37 9.270 6.340 -9.527 295 H ASP 38 H ASP 38 12.492 3.431 -10.098 296 HA ASP 38 HA ASP 38 11.624 1.512 -8.323 297 HB2 ASP 38 2HB ASP 38 14.454 2.662 -8.380 298 HB3 ASP 38 3HB ASP 38 13.981 1.058 -7.828 299 H LYS 39 H LYS 39 13.000 4.706 -7.550 300 HA LYS 39 HA LYS 39 13.490 4.366 -4.802 301 HB2 LYS 39 2HB LYS 39 12.747 6.942 -6.251 302 HB3 LYS 39 3HB LYS 39 13.579 6.837 -4.704 303 HG2 LYS 39 2HG LYS 39 15.600 6.143 -5.686 304 HG3 LYS 39 3HG LYS 39 14.814 5.575 -7.159 305 HD2 LYS 39 2HD LYS 39 16.070 7.626 -7.620 306 HD3 LYS 39 3HD LYS 39 14.343 7.909 -7.826 307 HE2 LYS 39 2HE LYS 39 14.286 9.003 -5.582 308 HE3 LYS 39 3HE LYS 39 16.028 8.750 -5.433 309 HZ1 LYS 39 3HZ LYS 39 15.488 10.990 -6.201 310 HZ2 LYS 39 1HZ LYS 39 14.698 10.359 -7.557 311 HZ3 LYS 39 2HZ LYS 39 16.363 10.147 -7.375 312 H GLU 40 H GLU 40 10.702 5.755 -6.501 313 HA GLU 40 HA GLU 40 9.112 6.385 -4.246 314 HB2 GLU 40 2HB GLU 40 8.340 5.917 -7.153 315 HB3 GLU 40 3HB GLU 40 7.258 6.596 -5.939 316 HG2 GLU 40 2HG GLU 40 9.849 7.824 -6.918 317 HG3 GLU 40 3HG GLU 40 8.218 8.335 -7.358 318 H ILE 41 H ILE 41 9.285 3.514 -6.334 319 HA ILE 41 HA ILE 41 7.071 2.110 -5.229 320 HB ILE 41 HB ILE 41 9.579 0.975 -6.559 321 HG12 ILE 41 2HG1 ILE 41 6.828 1.521 -7.787 322 HG13 ILE 41 3HG1 ILE 41 8.240 2.548 -8.007 323 HG21 ILE 41 1HG2 ILE 41 6.898 -0.374 -6.021 324 HG22 ILE 41 2HG2 ILE 41 8.434 -0.757 -5.238 325 HG23 ILE 41 3HG2 ILE 41 8.224 -1.071 -6.959 326 HD11 ILE 41 3HD1 ILE 41 7.889 1.133 -9.936 327 HD12 ILE 41 1HD1 ILE 41 7.973 -0.316 -8.933 328 HD13 ILE 41 2HD1 ILE 41 9.401 0.705 -9.138 329 H GLU 42 H GLU 42 10.531 2.248 -4.355 330 HA GLU 42 HA GLU 42 10.588 0.190 -2.410 331 HB2 GLU 42 2HB GLU 42 12.371 2.612 -2.869 332 HB3 GLU 42 3HB GLU 42 12.699 1.432 -1.598 333 HG2 GLU 42 2HG GLU 42 13.014 -0.330 -3.215 334 HG3 GLU 42 3HG GLU 42 12.470 0.707 -4.534 335 H GLU 43 H GLU 43 10.137 3.696 -2.163 336 HA GLU 43 HA GLU 43 9.773 3.952 0.593 337 HB2 GLU 43 2HB GLU 43 8.622 5.567 -1.715 338 HB3 GLU 43 3HB GLU 43 8.445 6.041 -0.028 339 HG2 GLU 43 2HG GLU 43 11.055 5.761 -1.550 340 HG3 GLU 43 3HG GLU 43 10.268 7.273 -1.097 341 H PHE 44 H PHE 44 7.383 3.321 -1.990 342 HA PHE 44 HA PHE 44 5.037 3.222 -0.459 343 HB2 PHE 44 2HB PHE 44 4.965 3.354 -2.882 344 HB3 PHE 44 3HB PHE 44 5.854 1.849 -3.052 345 HD1 PHE 44 HD1 PHE 44 2.615 3.128 -1.592 346 HD2 PHE 44 HD2 PHE 44 4.628 -0.083 -3.592 347 HE1 PHE 44 HE1 PHE 44 0.481 1.935 -1.843 348 HE2 PHE 44 HE2 PHE 44 2.488 -1.262 -3.832 349 HZ PHE 44 HZ PHE 44 0.418 -0.262 -2.962 350 H GLU 45 H GLU 45 7.421 0.693 -1.210 351 HA GLU 45 HA GLU 45 6.075 -1.537 -0.152 352 HB2 GLU 45 2HB GLU 45 9.054 -1.023 -0.533 353 HB3 GLU 45 3HB GLU 45 8.373 -2.597 -0.102 354 HG2 GLU 45 2HG GLU 45 7.059 -2.575 -2.197 355 HG3 GLU 45 3HG GLU 45 7.791 -1.035 -2.630 356 H ARG 46 H ARG 46 8.823 0.270 1.332 357 HA ARG 46 HA ARG 46 8.782 -1.156 3.752 358 HB2 ARG 46 2HB ARG 46 10.201 0.738 4.662 359 HB3 ARG 46 3HB ARG 46 10.801 -0.028 3.206 360 HG2 ARG 46 2HG ARG 46 10.925 1.957 2.146 361 HG3 ARG 46 3HG ARG 46 9.210 2.252 2.403 362 HD2 ARG 46 2HD ARG 46 11.335 2.871 4.484 363 HD3 ARG 46 3HD ARG 46 10.790 4.041 3.280 364 HE ARG 46 HE ARG 46 8.600 3.955 4.262 365 HH11 ARG 46 1HH1 ARG 46 11.102 2.519 6.269 366 HH12 ARG 46 2HH1 ARG 46 10.193 2.704 7.735 367 HH21 ARG 46 1HH2 ARG 46 7.435 4.211 6.187 368 HH22 ARG 46 2HH2 ARG 46 8.111 3.665 7.684 369 H ASP 47 H ASP 47 7.213 1.904 2.867 370 HA ASP 47 HA ASP 47 6.057 2.482 5.369 371 HB2 ASP 47 2HB ASP 47 5.483 3.342 2.539 372 HB3 ASP 47 3HB ASP 47 4.343 3.779 3.803 373 H MET 48 H MET 48 4.660 0.604 2.647 374 HA MET 48 HA MET 48 2.143 0.157 3.930 375 HB2 MET 48 2HB MET 48 3.497 -1.180 1.576 376 HB3 MET 48 3HB MET 48 2.005 -1.850 2.232 377 HG2 MET 48 2HG MET 48 2.357 0.954 1.151 378 HG3 MET 48 3HG MET 48 1.538 -0.387 0.338 379 HE1 MET 48 3HE MET 48 -1.429 2.019 1.355 380 HE2 MET 48 1HE MET 48 -0.505 1.331 0.022 381 HE3 MET 48 2HE MET 48 0.201 2.605 1.020 382 H GLU 49 H GLU 49 5.162 -1.643 3.933 383 HA GLU 49 HA GLU 49 4.285 -3.913 5.418 384 HB2 GLU 49 2HB GLU 49 7.062 -2.700 5.044 385 HB3 GLU 49 3HB GLU 49 6.760 -4.262 5.814 386 HG2 GLU 49 2HG GLU 49 5.832 -5.151 3.755 387 HG3 GLU 49 3HG GLU 49 5.955 -3.575 2.973 388 H ASP 50 H ASP 50 5.738 -0.813 6.298 389 HA ASP 50 HA ASP 50 6.058 -1.134 9.071 390 HB2 ASP 50 2HB ASP 50 7.067 0.737 7.822 391 HB3 ASP 50 3HB ASP 50 5.480 1.363 7.410 392 H LEU 51 H LEU 51 3.422 0.261 7.182 393 HA LEU 51 HA LEU 51 1.619 0.889 9.237 394 HB2 LEU 51 2HB LEU 51 1.509 1.854 6.980 395 HB3 LEU 51 3HB LEU 51 1.153 0.278 6.295 396 HG LEU 51 HG LEU 51 -1.046 0.278 7.532 397 HD11 LEU 51 1HD1 LEU 51 -1.908 2.365 8.488 398 HD12 LEU 51 2HD1 LEU 51 -0.334 3.135 8.248 399 HD13 LEU 51 3HD1 LEU 51 -0.498 1.780 9.370 400 HD21 LEU 51 3HD2 LEU 51 -2.159 1.903 6.060 401 HD22 LEU 51 1HD2 LEU 51 -0.967 0.933 5.197 402 HD23 LEU 51 2HD2 LEU 51 -0.591 2.603 5.646 403 H ALA 52 H ALA 52 1.954 -2.044 7.223 404 HA ALA 52 HA ALA 52 -0.360 -3.424 8.005 405 HB1 ALA 52 3HB ALA 52 2.320 -4.589 7.163 406 HB2 ALA 52 1HB ALA 52 1.020 -4.088 6.077 407 HB3 ALA 52 2HB ALA 52 0.775 -5.447 7.174 408 H LYS 53 H LYS 53 2.955 -3.621 9.285 409 HA LYS 53 HA LYS 53 2.520 -5.465 11.367 410 HB2 LYS 53 2HB LYS 53 4.590 -3.245 11.104 411 HB3 LYS 53 3HB LYS 53 4.658 -4.528 12.312 412 HG2 LYS 53 2HG LYS 53 4.944 -6.218 10.598 413 HG3 LYS 53 3HG LYS 53 4.667 -5.034 9.319 414 HD2 LYS 53 2HD LYS 53 7.061 -5.506 9.500 415 HD3 LYS 53 3HD LYS 53 6.741 -3.838 9.977 416 HE2 LYS 53 2HE LYS 53 6.895 -4.493 12.360 417 HE3 LYS 53 3HE LYS 53 7.195 -6.166 11.882 418 HZ1 LYS 53 3HZ LYS 53 9.223 -5.427 10.772 419 HZ2 LYS 53 1HZ LYS 53 9.246 -5.045 12.419 420 HZ3 LYS 53 2HZ LYS 53 8.943 -3.838 11.277 421 H LYS 54 H LYS 54 2.464 -1.897 11.345 422 HA LYS 54 HA LYS 54 1.956 -1.374 14.045 423 HB2 LYS 54 2HB LYS 54 1.247 0.185 11.534 424 HB3 LYS 54 3HB LYS 54 0.904 0.806 13.147 425 HG2 LYS 54 2HG LYS 54 3.334 0.701 13.678 426 HG3 LYS 54 3HG LYS 54 3.655 0.154 12.032 427 HD2 LYS 54 2HD LYS 54 4.079 2.584 12.308 428 HD3 LYS 54 3HD LYS 54 2.811 2.264 11.120 429 HE2 LYS 54 2HE LYS 54 2.249 4.174 12.602 430 HE3 LYS 54 3HE LYS 54 1.085 2.863 12.765 431 HZ1 LYS 54 3HZ LYS 54 1.607 3.680 14.914 432 HZ2 LYS 54 1HZ LYS 54 3.271 3.560 14.645 433 HZ3 LYS 54 2HZ LYS 54 2.333 2.164 14.780 434 H THR 55 H THR 55 -0.302 -2.167 11.442 435 HA THR 55 HA THR 55 -2.653 -1.757 13.161 436 HB THR 55 HB THR 55 -3.953 -2.182 11.062 437 HG1 THR 55 HG1 THR 55 -1.720 -1.957 9.437 438 HG21 THR 55 3HG2 THR 55 -1.796 -0.060 10.720 439 HG22 THR 55 1HG2 THR 55 -3.304 0.150 11.614 440 HG23 THR 55 2HG2 THR 55 -3.342 -0.109 9.869 441 H GLY 56 H GLY 56 -0.508 -4.270 12.540 442 HA2 GLY 56 2HA GLY 56 -0.528 -6.404 13.381 443 HA3 GLY 56 3HA GLY 56 -2.184 -6.175 13.918 444 H VAL 57 H VAL 57 -1.594 -5.507 10.607 445 HA VAL 57 HA VAL 57 -2.896 -8.060 9.789 446 HB VAL 57 HB VAL 57 -3.871 -6.961 7.880 447 HG11 VAL 57 1HG1 VAL 57 -5.380 -5.338 8.931 448 HG12 VAL 57 2HG1 VAL 57 -4.289 -5.193 10.314 449 HG13 VAL 57 3HG1 VAL 57 -5.106 -6.725 9.987 450 HG21 VAL 57 3HG2 VAL 57 -3.582 -4.536 7.375 451 HG22 VAL 57 1HG2 VAL 57 -2.070 -5.435 7.220 452 HG23 VAL 57 2HG2 VAL 57 -2.355 -4.429 8.640 453 H GLN 58 H GLN 58 -2.416 -8.458 7.323 454 HA GLN 58 HA GLN 58 0.524 -8.379 6.903 455 HB2 GLN 58 2HB GLN 58 -1.436 -10.347 5.649 456 HB3 GLN 58 3HB GLN 58 0.318 -10.478 5.731 457 HG2 GLN 58 2HG GLN 58 0.235 -10.968 8.090 458 HG3 GLN 58 3HG GLN 58 -1.485 -10.582 8.171 459 HE21 GLN 58 1HE2 GLN 58 -0.143 -13.039 8.938 460 HE22 GLN 58 2HE2 GLN 58 -0.869 -14.300 8.007 461 H ILE 59 H ILE 59 1.198 -8.225 4.593 462 HA ILE 59 HA ILE 59 -0.745 -6.824 2.826 463 HB ILE 59 HB ILE 59 1.137 -5.895 1.596 464 HG12 ILE 59 2HG1 ILE 59 3.007 -7.392 3.497 465 HG13 ILE 59 3HG1 ILE 59 2.721 -7.819 1.814 466 HG21 ILE 59 1HG2 ILE 59 2.113 -4.393 3.259 467 HG22 ILE 59 2HG2 ILE 59 1.626 -5.481 4.559 468 HG23 ILE 59 3HG2 ILE 59 0.402 -4.656 3.598 469 HD11 ILE 59 3HD1 ILE 59 3.684 -5.693 1.103 470 HD12 ILE 59 1HD1 ILE 59 4.809 -6.641 2.076 471 HD13 ILE 59 2HD1 ILE 59 3.974 -5.263 2.794 472 H GLN 60 H GLN 60 -0.365 -7.281 0.443 473 HA GLN 60 HA GLN 60 0.958 -9.838 -0.203 474 HB2 GLN 60 2HB GLN 60 -1.880 -9.047 -0.990 475 HB3 GLN 60 3HB GLN 60 -0.962 -10.226 -1.922 476 HG2 GLN 60 2HG GLN 60 -1.524 -10.523 1.036 477 HG3 GLN 60 3HG GLN 60 -2.578 -11.172 -0.221 478 HE21 GLN 60 1HE2 GLN 60 0.520 -11.476 1.373 479 HE22 GLN 60 2HE2 GLN 60 0.920 -13.032 0.740 480 H LYS 61 H LYS 61 2.647 -8.878 -1.181 481 HA LYS 61 HA LYS 61 2.421 -6.767 -3.146 482 HB2 LYS 61 2HB LYS 61 4.777 -8.521 -2.346 483 HB3 LYS 61 3HB LYS 61 4.877 -7.273 -3.588 484 HG2 LYS 61 2HG LYS 61 4.197 -5.600 -1.827 485 HG3 LYS 61 3HG LYS 61 4.366 -6.887 -0.623 486 HD2 LYS 61 2HD LYS 61 6.749 -7.173 -1.298 487 HD3 LYS 61 3HD LYS 61 6.571 -5.874 -2.482 488 HE2 LYS 61 2HE LYS 61 6.149 -4.274 -0.669 489 HE3 LYS 61 3HE LYS 61 6.265 -5.575 0.524 490 HZ1 LYS 61 3HZ LYS 61 8.323 -4.340 0.371 491 HZ2 LYS 61 1HZ LYS 61 8.443 -4.682 -1.283 492 HZ3 LYS 61 2HZ LYS 61 8.551 -5.930 -0.159 493 H GLN 62 H GLN 62 1.969 -7.067 -5.231 494 HA GLN 62 HA GLN 62 2.664 -9.565 -6.599 495 HB2 GLN 62 2HB GLN 62 0.239 -9.687 -6.138 496 HB3 GLN 62 3HB GLN 62 -0.001 -8.080 -6.815 497 HG2 GLN 62 2HG GLN 62 -0.709 -9.853 -8.390 498 HG3 GLN 62 3HG GLN 62 0.604 -8.878 -9.049 499 HE21 GLN 62 1HE2 GLN 62 1.323 -10.448 -10.486 500 HE22 GLN 62 2HE2 GLN 62 2.065 -11.927 -9.986 501 H TRP 63 H TRP 63 4.390 -8.672 -7.612 502 HA TRP 63 HA TRP 63 4.388 -6.288 -9.155 503 HB2 TRP 63 2HB TRP 63 6.045 -8.831 -9.481 504 HB3 TRP 63 3HB TRP 63 6.382 -7.300 -10.284 505 HD1 TRP 63 HD1 TRP 63 6.970 -9.132 -7.032 506 HE1 TRP 63 HE1 TRP 63 8.346 -7.653 -5.443 507 HE3 TRP 63 HE3 TRP 63 6.728 -4.711 -9.614 508 HZ2 TRP 63 HZ2 TRP 63 9.206 -4.983 -5.288 509 HZ3 TRP 63 HZ3 TRP 63 7.864 -2.737 -8.667 510 HH2 TRP 63 HH2 TRP 63 9.078 -2.880 -6.546 511 H GLN 64 H GLN 64 2.881 -5.985 -10.685 512 HA GLN 64 HA GLN 64 1.882 -8.219 -12.332 513 HB2 GLN 64 2HB GLN 64 0.144 -7.021 -11.002 514 HB3 GLN 64 3HB GLN 64 0.622 -5.496 -11.734 515 HG2 GLN 64 2HG GLN 64 -1.450 -6.362 -12.741 516 HG3 GLN 64 3HG GLN 64 -0.157 -6.263 -13.932 517 HE21 GLN 64 1HE2 GLN 64 0.777 -8.217 -14.719 518 HE22 GLN 64 2HE2 GLN 64 -0.037 -9.734 -14.557 519 H GLY 65 H GLY 65 3.575 -8.245 -13.784 520 HA2 GLY 65 2HA GLY 65 4.520 -7.751 -15.827 521 HA3 GLY 65 3HA GLY 65 3.617 -6.245 -15.895 522 H ASN 66 H ASN 66 4.352 -4.683 -14.042 523 HA ASN 66 HA ASN 66 7.215 -4.644 -13.513 524 HB2 ASN 66 2HB ASN 66 7.016 -3.676 -15.805 525 HB3 ASN 66 3HB ASN 66 5.837 -2.509 -15.221 526 HD21 ASN 66 1HD2 ASN 66 9.202 -3.481 -15.111 527 HD22 ASN 66 2HD2 ASN 66 9.824 -1.962 -14.581 528 H LYS 67 H LYS 67 4.094 -2.944 -13.407 529 HA LYS 67 HA LYS 67 4.654 -1.207 -11.216 530 HB2 LYS 67 2HB LYS 67 1.888 -2.191 -12.058 531 HB3 LYS 67 3HB LYS 67 2.284 -0.679 -11.235 532 HG2 LYS 67 2HG LYS 67 2.976 -1.422 -14.100 533 HG3 LYS 67 3HG LYS 67 1.732 -0.278 -13.582 534 HD2 LYS 67 2HD LYS 67 3.451 1.229 -12.686 535 HD3 LYS 67 3HD LYS 67 4.718 0.061 -13.074 536 HE2 LYS 67 2HE LYS 67 4.639 1.865 -14.734 537 HE3 LYS 67 3HE LYS 67 4.238 0.317 -15.473 538 HZ1 LYS 67 3HZ LYS 67 2.767 2.056 -16.237 539 HZ2 LYS 67 1HZ LYS 67 2.293 2.407 -14.654 540 HZ3 LYS 67 2HZ LYS 67 1.890 0.921 -15.346 541 H LEU 68 H LEU 68 4.081 -1.393 -9.011 542 HA LEU 68 HA LEU 68 3.795 -4.148 -8.012 543 HB2 LEU 68 2HB LEU 68 5.646 -2.838 -7.081 544 HB3 LEU 68 3HB LEU 68 4.530 -1.593 -6.548 545 HG LEU 68 HG LEU 68 3.492 -3.194 -4.941 546 HD11 LEU 68 1HD1 LEU 68 3.856 -5.288 -6.128 547 HD12 LEU 68 2HD1 LEU 68 4.501 -5.385 -4.492 548 HD13 LEU 68 3HD1 LEU 68 5.598 -5.169 -5.860 549 HD21 LEU 68 3HD2 LEU 68 5.325 -3.309 -3.343 550 HD22 LEU 68 1HD2 LEU 68 5.316 -1.764 -4.190 551 HD23 LEU 68 2HD2 LEU 68 6.495 -3.002 -4.634 552 H ARG 69 H ARG 69 1.983 -4.854 -7.169 553 HA ARG 69 HA ARG 69 -0.187 -3.007 -6.371 554 HB2 ARG 69 2HB ARG 69 -0.709 -4.408 -8.361 555 HB3 ARG 69 3HB ARG 69 -0.323 -5.862 -7.441 556 HG2 ARG 69 2HG ARG 69 -2.224 -5.228 -5.868 557 HG3 ARG 69 3HG ARG 69 -2.645 -3.959 -7.022 558 HD2 ARG 69 2HD ARG 69 -2.666 -6.953 -7.494 559 HD3 ARG 69 3HD ARG 69 -4.060 -5.878 -7.424 560 HE ARG 69 HE ARG 69 -2.384 -6.421 -9.668 561 HH11 ARG 69 1HH1 ARG 69 -4.397 -3.845 -8.320 562 HH12 ARG 69 2HH1 ARG 69 -4.675 -3.118 -9.866 563 HH21 ARG 69 1HH2 ARG 69 -2.782 -5.448 -11.656 564 HH22 ARG 69 2HH2 ARG 69 -3.761 -4.025 -11.748 565 H ILE 70 H ILE 70 -0.160 -2.896 -4.164 566 HA ILE 70 HA ILE 70 0.394 -5.337 -2.583 567 HB ILE 70 HB ILE 70 0.558 -2.410 -1.736 568 HG12 ILE 70 2HG1 ILE 70 2.651 -4.620 -1.995 569 HG13 ILE 70 3HG1 ILE 70 2.539 -3.153 -2.957 570 HG21 ILE 70 1HG2 ILE 70 1.187 -3.208 0.525 571 HG22 ILE 70 2HG2 ILE 70 0.869 -4.871 0.027 572 HG23 ILE 70 3HG2 ILE 70 -0.453 -3.705 0.101 573 HD11 ILE 70 3HD1 ILE 70 3.285 -3.329 -0.033 574 HD12 ILE 70 1HD1 ILE 70 3.106 -1.831 -0.951 575 HD13 ILE 70 2HD1 ILE 70 4.356 -2.991 -1.393 576 H ARG 71 H ARG 71 -1.404 -6.359 -2.055 577 HA ARG 71 HA ARG 71 -3.940 -4.967 -1.680 578 HB2 ARG 71 2HB ARG 71 -3.889 -7.087 -3.018 579 HB3 ARG 71 3HB ARG 71 -3.329 -7.954 -1.591 580 HG2 ARG 71 2HG ARG 71 -5.561 -6.951 -0.507 581 HG3 ARG 71 3HG ARG 71 -6.058 -6.819 -2.196 582 HD2 ARG 71 2HD ARG 71 -5.627 -9.256 -2.473 583 HD3 ARG 71 3HD ARG 71 -5.200 -9.360 -0.763 584 HE ARG 71 HE ARG 71 -7.821 -9.301 -1.905 585 HH11 ARG 71 1HH1 ARG 71 -6.079 -8.374 1.033 586 HH12 ARG 71 2HH1 ARG 71 -7.500 -8.438 2.024 587 HH21 ARG 71 1HH2 ARG 71 -9.657 -9.377 -0.554 588 HH22 ARG 71 2HH2 ARG 71 -9.504 -9.003 1.135 589 H LEU 72 H LEU 72 -4.639 -4.503 0.258 590 HA LEU 72 HA LEU 72 -3.252 -5.372 2.697 591 HB2 LEU 72 2HB LEU 72 -5.004 -2.946 2.122 592 HB3 LEU 72 3HB LEU 72 -4.247 -3.294 3.676 593 HG LEU 72 HG LEU 72 -2.709 -2.767 1.095 594 HD11 LEU 72 1HD1 LEU 72 -3.885 -0.764 1.785 595 HD12 LEU 72 2HD1 LEU 72 -2.146 -0.595 2.003 596 HD13 LEU 72 3HD1 LEU 72 -3.185 -0.887 3.401 597 HD21 LEU 72 3HD2 LEU 72 -0.742 -2.555 2.567 598 HD22 LEU 72 1HD2 LEU 72 -1.445 -4.169 2.625 599 HD23 LEU 72 2HD2 LEU 72 -1.729 -3.038 3.952 600 H LYS 73 H LYS 73 -4.330 -6.519 4.154 601 HA LYS 73 HA LYS 73 -7.195 -7.147 3.738 602 HB2 LYS 73 2HB LYS 73 -6.637 -9.333 4.794 603 HB3 LYS 73 3HB LYS 73 -5.706 -9.030 3.327 604 HG2 LYS 73 2HG LYS 73 -3.814 -8.213 4.870 605 HG3 LYS 73 3HG LYS 73 -4.748 -8.898 6.202 606 HD2 LYS 73 2HD LYS 73 -3.194 -10.588 5.614 607 HD3 LYS 73 3HD LYS 73 -4.713 -11.117 4.904 608 HE2 LYS 73 2HE LYS 73 -3.955 -10.199 2.703 609 HE3 LYS 73 3HE LYS 73 -2.410 -9.779 3.454 610 HZ1 LYS 73 3HZ LYS 73 -2.151 -12.161 4.013 611 HZ2 LYS 73 1HZ LYS 73 -2.182 -11.859 2.350 612 HZ3 LYS 73 2HZ LYS 73 -3.545 -12.494 3.116 613 H GLY 74 H GLY 74 -8.410 -7.739 5.761 614 HA2 GLY 74 2HA GLY 74 -7.763 -5.790 7.908 615 HA3 GLY 74 3HA GLY 74 -9.370 -6.368 7.484 616 H SER 75 H SER 75 -9.990 -8.512 8.120 617 HA SER 75 HA SER 75 -8.594 -9.442 10.569 618 HB2 SER 75 2HB SER 75 -11.543 -9.751 9.841 619 HB3 SER 75 3HB SER 75 -10.786 -10.142 11.391 620 HG SER 75 HG SER 75 -11.170 -7.598 10.208 621 H LEU 76 H LEU 76 -7.549 -11.311 10.308 622 HA LEU 76 HA LEU 76 -8.411 -13.296 8.264 623 HB2 LEU 76 2HB LEU 76 -5.657 -12.997 9.538 624 HB3 LEU 76 3HB LEU 76 -6.092 -14.077 8.229 625 HG LEU 76 HG LEU 76 -4.881 -12.345 7.189 626 HD11 LEU 76 1HD1 LEU 76 -6.916 -12.894 5.972 627 HD12 LEU 76 2HD1 LEU 76 -6.437 -11.221 5.716 628 HD13 LEU 76 3HD1 LEU 76 -7.784 -11.592 6.794 629 HD21 LEU 76 3HD2 LEU 76 -4.810 -10.757 9.050 630 HD22 LEU 76 1HD2 LEU 76 -6.478 -10.279 8.737 631 HD23 LEU 76 2HD2 LEU 76 -5.220 -9.936 7.548 632 H GLU 77 H GLU 77 -7.985 -12.701 11.568 633 HA GLU 77 HA GLU 77 -8.420 -15.489 12.388 634 HB2 GLU 77 2HB GLU 77 -6.537 -14.798 14.255 635 HB3 GLU 77 3HB GLU 77 -6.140 -15.632 12.765 636 HG2 GLU 77 2HG GLU 77 -4.549 -13.814 13.253 637 HG3 GLU 77 3HG GLU 77 -5.385 -13.571 11.722 638 H HIS 78 H HIS 78 -8.383 -15.260 15.033 639 HA HIS 78 HA HIS 78 -10.540 -13.559 15.820 640 HB2 HIS 78 2HB HIS 78 -10.031 -14.432 18.145 641 HB3 HIS 78 3HB HIS 78 -10.283 -15.697 16.953 642 HD1 HIS 78 HD1 HIS 78 -7.690 -14.229 19.204 643 HD2 HIS 78 HD2 HIS 78 -7.954 -17.249 16.374 644 HE1 HIS 78 HE1 HIS 78 -5.616 -15.606 19.496 645 HE2 HIS 78 HE2 HIS 78 -5.845 -17.480 17.830 646 H HIS 79 H HIS 79 -9.589 -11.556 15.012 647 HA HIS 79 HA HIS 79 -7.183 -10.472 16.132 648 HB2 HIS 79 2HB HIS 79 -8.257 -10.018 13.769 649 HB3 HIS 79 3HB HIS 79 -9.225 -8.809 14.609 650 HD1 HIS 79 HD1 HIS 79 -5.878 -9.454 13.213 651 HD2 HIS 79 HD2 HIS 79 -7.643 -6.631 15.695 652 HE1 HIS 79 HE1 HIS 79 -4.260 -7.538 13.312 653 HE2 HIS 79 HE2 HIS 79 -5.245 -5.974 15.009 654 H HIS 80 H HIS 80 -7.207 -10.007 18.228 655 HA HIS 80 HA HIS 80 -9.505 -9.415 19.761 656 HB2 HIS 80 2HB HIS 80 -7.530 -10.564 20.703 657 HB3 HIS 80 3HB HIS 80 -6.560 -9.115 20.476 658 HD1 HIS 80 HD1 HIS 80 -6.386 -7.660 22.483 659 HD2 HIS 80 HD2 HIS 80 -9.782 -10.041 22.626 660 HE1 HIS 80 HE1 HIS 80 -7.420 -7.229 24.729 661 HE2 HIS 80 HE2 HIS 80 -9.371 -8.806 24.844 662 H HIS 81 H HIS 81 -10.558 -7.594 19.121 663 HA HIS 81 HA HIS 81 -9.209 -4.994 19.562 664 HB2 HIS 81 2HB HIS 81 -10.677 -3.973 17.909 665 HB3 HIS 81 3HB HIS 81 -9.830 -5.319 17.180 666 HD1 HIS 81 HD1 HIS 81 -13.153 -3.918 17.633 667 HD2 HIS 81 HD2 HIS 81 -11.596 -7.675 16.799 668 HE1 HIS 81 HE1 HIS 81 -15.070 -5.265 16.737 669 HE2 HIS 81 HE2 HIS 81 -14.070 -7.498 16.140 670 H HIS 82 H HIS 82 -9.664 -5.137 21.732 671 HA HIS 82 HA HIS 82 -12.460 -4.542 22.568 672 HB2 HIS 82 2HB HIS 82 -11.326 -6.574 23.608 673 HB3 HIS 82 3HB HIS 82 -10.135 -5.498 24.314 674 HD1 HIS 82 HD1 HIS 82 -10.922 -4.030 26.319 675 HD2 HIS 82 HD2 HIS 82 -13.821 -6.642 24.918 676 HE1 HIS 82 HE1 HIS 82 -12.689 -4.086 28.095 677 HE2 HIS 82 HE2 HIS 82 -14.445 -5.666 27.217 678 H HIS 83 H HIS 83 -9.684 -3.167 21.653 679 HA HIS 83 HA HIS 83 -10.003 -0.689 23.226 680 HB2 HIS 83 2HB HIS 83 -7.918 -1.330 24.079 681 HB3 HIS 83 3HB HIS 83 -7.534 -2.332 22.688 682 HD1 HIS 83 HD1 HIS 83 -7.878 1.456 23.304 683 HD2 HIS 83 HD2 HIS 83 -5.435 -1.279 21.334 684 HE1 HIS 83 HE1 HIS 83 -6.038 2.802 22.246 685 HE2 HIS 83 HE2 HIS 83 -4.483 1.111 21.237 Start of MODEL 5 1 H1 MET 1 1H MET 1 -16.801 -0.832 -7.067 2 H2 MET 1 2H MET 1 -16.140 -0.180 -5.657 3 H3 MET 1 3H MET 1 -16.934 0.824 -6.758 4 HA MET 1 HA MET 1 -18.288 0.396 -4.827 5 HB2 MET 1 2HB MET 1 -20.336 -0.234 -6.007 6 HB3 MET 1 3HB MET 1 -19.357 0.799 -7.032 7 HG2 MET 1 2HG MET 1 -18.560 -1.272 -8.232 8 HG3 MET 1 3HG MET 1 -19.732 -2.191 -7.288 9 HE1 MET 1 3HE MET 1 -19.175 0.438 -10.155 10 HE2 MET 1 1HE MET 1 -20.012 1.439 -8.962 11 HE3 MET 1 2HE MET 1 -20.816 0.997 -10.468 12 H GLY 2 H GLY 2 -19.635 -1.171 -3.661 13 HA2 GLY 2 2HA GLY 2 -20.125 -3.241 -2.737 14 HA3 GLY 2 3HA GLY 2 -19.014 -4.015 -3.858 15 H LEU 3 H LEU 3 -16.848 -4.281 -3.268 16 HA LEU 3 HA LEU 3 -15.724 -3.181 -0.856 17 HB2 LEU 3 2HB LEU 3 -15.483 -5.198 0.447 18 HB3 LEU 3 3HB LEU 3 -17.185 -4.982 0.096 19 HG LEU 3 HG LEU 3 -15.362 -6.987 -1.318 20 HD11 LEU 3 1HD1 LEU 3 -17.454 -7.482 0.825 21 HD12 LEU 3 2HD1 LEU 3 -15.705 -7.590 1.033 22 HD13 LEU 3 3HD1 LEU 3 -16.533 -8.720 -0.035 23 HD21 LEU 3 3HD2 LEU 3 -17.419 -7.970 -2.246 24 HD22 LEU 3 1HD2 LEU 3 -17.233 -6.294 -2.766 25 HD23 LEU 3 2HD2 LEU 3 -18.385 -6.699 -1.492 26 H THR 4 H THR 4 -13.484 -3.767 -0.577 27 HA THR 4 HA THR 4 -11.373 -3.959 -1.297 28 HB THR 4 HB THR 4 -12.331 -6.353 -2.935 29 HG1 THR 4 HG1 THR 4 -11.251 -6.503 -0.324 30 HG21 THR 4 3HG2 THR 4 -9.965 -5.657 -3.423 31 HG22 THR 4 1HG2 THR 4 -10.056 -7.229 -2.618 32 HG23 THR 4 2HG2 THR 4 -9.600 -5.795 -1.700 33 H ARG 5 H ARG 5 -12.242 -1.932 -2.408 34 HA ARG 5 HA ARG 5 -12.111 -1.811 -5.263 35 HB2 ARG 5 2HB ARG 5 -11.923 0.645 -4.953 36 HB3 ARG 5 3HB ARG 5 -13.245 -0.055 -4.030 37 HG2 ARG 5 2HG ARG 5 -11.879 0.072 -1.970 38 HG3 ARG 5 3HG ARG 5 -10.553 0.774 -2.904 39 HD2 ARG 5 2HD ARG 5 -13.297 2.009 -2.464 40 HD3 ARG 5 3HD ARG 5 -11.775 2.535 -1.736 41 HE ARG 5 HE ARG 5 -11.439 2.594 -4.496 42 HH11 ARG 5 1HH1 ARG 5 -13.371 4.346 -2.133 43 HH12 ARG 5 2HH1 ARG 5 -13.459 5.780 -3.100 44 HH21 ARG 5 1HH2 ARG 5 -11.597 4.438 -5.764 45 HH22 ARG 5 2HH2 ARG 5 -12.446 5.830 -5.177 46 H THR 6 H THR 6 -10.402 -0.697 -6.504 47 HA THR 6 HA THR 6 -7.676 -1.388 -5.559 48 HB THR 6 HB THR 6 -8.731 -1.531 -8.427 49 HG1 THR 6 HG1 THR 6 -8.060 -3.732 -6.752 50 HG21 THR 6 3HG2 THR 6 -6.623 -2.699 -8.935 51 HG22 THR 6 1HG2 THR 6 -6.085 -2.501 -7.271 52 HG23 THR 6 2HG2 THR 6 -6.288 -1.083 -8.309 53 H ILE 7 H ILE 7 -6.752 0.540 -5.095 54 HA ILE 7 HA ILE 7 -7.630 2.983 -6.487 55 HB ILE 7 HB ILE 7 -6.052 2.665 -3.889 56 HG12 ILE 7 2HG1 ILE 7 -9.010 3.311 -4.278 57 HG13 ILE 7 3HG1 ILE 7 -8.380 1.764 -3.732 58 HG21 ILE 7 1HG2 ILE 7 -7.340 5.153 -5.074 59 HG22 ILE 7 2HG2 ILE 7 -5.605 4.826 -4.989 60 HG23 ILE 7 3HG2 ILE 7 -6.536 5.050 -3.507 61 HD11 ILE 7 3HD1 ILE 7 -9.263 3.070 -1.902 62 HD12 ILE 7 1HD1 ILE 7 -8.130 4.378 -2.248 63 HD13 ILE 7 2HD1 ILE 7 -7.532 2.804 -1.709 64 H THR 8 H THR 8 -6.368 3.528 -8.167 65 HA THR 8 HA THR 8 -3.557 2.628 -8.289 66 HB THR 8 HB THR 8 -3.763 3.152 -10.751 67 HG1 THR 8 HG1 THR 8 -5.404 4.574 -10.927 68 HG21 THR 8 3HG2 THR 8 -4.130 0.836 -9.992 69 HG22 THR 8 1HG2 THR 8 -5.199 1.224 -11.348 70 HG23 THR 8 2HG2 THR 8 -5.833 1.190 -9.703 71 H SER 9 H SER 9 -2.262 4.147 -7.445 72 HA SER 9 HA SER 9 -2.471 6.946 -8.333 73 HB2 SER 9 2HB SER 9 -3.621 6.909 -6.143 74 HB3 SER 9 3HB SER 9 -2.235 6.113 -5.406 75 HG SER 9 HG SER 9 -2.410 8.467 -5.139 76 H GLN 10 H GLN 10 -0.510 8.131 -7.982 77 HA GLN 10 HA GLN 10 1.938 6.468 -7.991 78 HB2 GLN 10 2HB GLN 10 1.306 7.879 -10.021 79 HB3 GLN 10 3HB GLN 10 1.581 9.310 -9.041 80 HG2 GLN 10 2HG GLN 10 3.936 8.844 -8.882 81 HG3 GLN 10 3HG GLN 10 3.724 7.225 -9.549 82 HE21 GLN 10 1HE2 GLN 10 3.250 7.010 -11.791 83 HE22 GLN 10 2HE2 GLN 10 3.664 8.257 -12.911 84 H ASN 11 H ASN 11 0.165 8.168 -5.810 85 HA ASN 11 HA ASN 11 2.464 9.447 -4.446 86 HB2 ASN 11 2HB ASN 11 -0.541 9.950 -4.137 87 HB3 ASN 11 3HB ASN 11 0.712 10.726 -3.173 88 HD21 ASN 11 1HD2 ASN 11 0.154 12.817 -3.844 89 HD22 ASN 11 2HD2 ASN 11 0.465 13.391 -5.444 90 H LYS 12 H LYS 12 3.307 7.971 -3.039 91 HA LYS 12 HA LYS 12 1.874 5.668 -2.167 92 HB2 LYS 12 2HB LYS 12 3.952 5.024 -1.016 93 HB3 LYS 12 3HB LYS 12 4.255 5.550 -2.658 94 HG2 LYS 12 2HG LYS 12 5.966 6.731 -1.761 95 HG3 LYS 12 3HG LYS 12 4.728 7.896 -1.285 96 HD2 LYS 12 2HD LYS 12 4.573 6.822 0.947 97 HD3 LYS 12 3HD LYS 12 5.771 5.618 0.459 98 HE2 LYS 12 2HE LYS 12 7.416 7.480 0.134 99 HE3 LYS 12 3HE LYS 12 6.223 8.602 0.774 100 HZ1 LYS 12 3HZ LYS 12 7.827 7.923 2.449 101 HZ2 LYS 12 1HZ LYS 12 7.405 6.305 2.250 102 HZ3 LYS 12 2HZ LYS 12 6.279 7.400 2.883 103 H GLU 13 H GLU 13 2.472 8.793 -0.737 104 HA GLU 13 HA GLU 13 2.060 8.038 2.010 105 HB2 GLU 13 2HB GLU 13 2.102 10.764 0.641 106 HB3 GLU 13 3HB GLU 13 2.061 10.520 2.387 107 HG2 GLU 13 2HG GLU 13 4.252 9.427 2.326 108 HG3 GLU 13 3HG GLU 13 4.279 9.528 0.569 109 H GLU 14 H GLU 14 0.197 9.604 -0.552 110 HA GLU 14 HA GLU 14 -2.247 10.073 0.712 111 HB2 GLU 14 2HB GLU 14 -1.753 10.924 -1.519 112 HB3 GLU 14 3HB GLU 14 -1.575 9.290 -2.154 113 HG2 GLU 14 2HG GLU 14 -3.994 8.898 -1.628 114 HG3 GLU 14 3HG GLU 14 -4.133 10.596 -1.187 115 H LEU 15 H LEU 15 -0.981 7.244 -0.960 116 HA LEU 15 HA LEU 15 -3.233 5.556 -0.680 117 HB2 LEU 15 2HB LEU 15 -0.309 4.950 -1.252 118 HB3 LEU 15 3HB LEU 15 -1.543 3.698 -1.223 119 HG LEU 15 HG LEU 15 -1.521 6.079 -3.130 120 HD11 LEU 15 1HD1 LEU 15 0.264 4.499 -3.681 121 HD12 LEU 15 2HD1 LEU 15 -1.009 4.457 -4.899 122 HD13 LEU 15 3HD1 LEU 15 -0.893 3.166 -3.698 123 HD21 LEU 15 3HD2 LEU 15 -3.793 5.375 -2.599 124 HD22 LEU 15 1HD2 LEU 15 -3.394 3.699 -2.987 125 HD23 LEU 15 2HD2 LEU 15 -3.384 4.929 -4.252 126 H LEU 16 H LEU 16 -0.671 6.393 1.543 127 HA LEU 16 HA LEU 16 -1.040 4.161 3.355 128 HB2 LEU 16 2HB LEU 16 0.219 6.892 3.842 129 HB3 LEU 16 3HB LEU 16 0.253 5.562 4.991 130 HG LEU 16 HG LEU 16 1.535 5.467 2.243 131 HD11 LEU 16 1HD1 LEU 16 3.665 5.754 3.382 132 HD12 LEU 16 2HD1 LEU 16 2.842 5.928 4.934 133 HD13 LEU 16 3HD1 LEU 16 2.613 7.138 3.670 134 HD21 LEU 16 3HD2 LEU 16 1.803 3.567 4.592 135 HD22 LEU 16 1HD2 LEU 16 2.627 3.443 3.035 136 HD23 LEU 16 2HD2 LEU 16 0.878 3.257 3.119 137 H GLU 17 H GLU 17 -2.207 7.515 3.177 138 HA GLU 17 HA GLU 17 -3.568 7.554 5.671 139 HB2 GLU 17 2HB GLU 17 -4.064 9.247 3.190 140 HB3 GLU 17 3HB GLU 17 -4.649 9.614 4.812 141 HG2 GLU 17 2HG GLU 17 -1.736 9.472 3.983 142 HG3 GLU 17 3HG GLU 17 -2.672 10.949 4.191 143 H ILE 18 H ILE 18 -4.672 6.983 2.342 144 HA ILE 18 HA ILE 18 -7.404 6.511 2.985 145 HB ILE 18 HB ILE 18 -5.868 5.585 0.510 146 HG12 ILE 18 2HG1 ILE 18 -7.453 8.166 0.937 147 HG13 ILE 18 3HG1 ILE 18 -5.701 8.055 0.845 148 HG21 ILE 18 1HG2 ILE 18 -8.015 4.418 0.776 149 HG22 ILE 18 2HG2 ILE 18 -8.095 5.539 -0.583 150 HG23 ILE 18 3HG2 ILE 18 -8.852 5.963 0.953 151 HD11 ILE 18 3HD1 ILE 18 -6.628 8.888 -1.222 152 HD12 ILE 18 1HD1 ILE 18 -7.629 7.446 -1.398 153 HD13 ILE 18 2HD1 ILE 18 -5.869 7.320 -1.485 154 H ALA 19 H ALA 19 -4.553 4.385 2.585 155 HA ALA 19 HA ALA 19 -5.741 1.879 2.920 156 HB1 ALA 19 3HB ALA 19 -3.056 2.807 3.974 157 HB2 ALA 19 1HB ALA 19 -3.377 2.153 2.370 158 HB3 ALA 19 2HB ALA 19 -3.568 1.124 3.790 159 H LEU 20 H LEU 20 -4.445 4.056 5.373 160 HA LEU 20 HA LEU 20 -4.697 2.501 7.646 161 HB2 LEU 20 2HB LEU 20 -3.346 4.557 7.474 162 HB3 LEU 20 3HB LEU 20 -4.800 5.526 7.333 163 HG LEU 20 HG LEU 20 -5.411 4.899 9.692 164 HD11 LEU 20 1HD1 LEU 20 -3.755 3.867 11.167 165 HD12 LEU 20 2HD1 LEU 20 -2.683 3.586 9.794 166 HD13 LEU 20 3HD1 LEU 20 -4.243 2.764 9.879 167 HD21 LEU 20 3HD2 LEU 20 -2.687 6.208 9.412 168 HD22 LEU 20 1HD2 LEU 20 -3.779 6.354 10.792 169 HD23 LEU 20 2HD2 LEU 20 -4.249 7.012 9.226 170 H LYS 21 H LYS 21 -7.054 4.700 6.156 171 HA LYS 21 HA LYS 21 -8.945 4.613 8.278 172 HB2 LYS 21 2HB LYS 21 -10.381 5.907 6.930 173 HB3 LYS 21 3HB LYS 21 -8.772 6.395 6.430 174 HG2 LYS 21 2HG LYS 21 -9.049 4.771 4.478 175 HG3 LYS 21 3HG LYS 21 -10.742 4.657 4.925 176 HD2 LYS 21 2HD LYS 21 -9.324 7.252 4.193 177 HD3 LYS 21 3HD LYS 21 -10.250 6.275 3.059 178 HE2 LYS 21 2HE LYS 21 -11.639 8.105 3.761 179 HE3 LYS 21 3HE LYS 21 -12.285 6.644 4.503 180 HZ1 LYS 21 3HZ LYS 21 -12.207 8.584 6.001 181 HZ2 LYS 21 1HZ LYS 21 -10.524 8.601 5.882 182 HZ3 LYS 21 2HZ LYS 21 -11.312 7.282 6.591 183 H PHE 22 H PHE 22 -8.505 2.613 5.351 184 HA PHE 22 HA PHE 22 -11.009 1.191 5.628 185 HB2 PHE 22 2HB PHE 22 -8.560 0.786 3.875 186 HB3 PHE 22 3HB PHE 22 -9.778 -0.481 3.980 187 HD1 PHE 22 HD1 PHE 22 -9.089 2.925 2.743 188 HD2 PHE 22 HD2 PHE 22 -12.013 -0.166 3.000 189 HE1 PHE 22 HE1 PHE 22 -10.424 4.065 1.031 190 HE2 PHE 22 HE2 PHE 22 -13.346 0.976 1.280 191 HZ PHE 22 HZ PHE 22 -12.558 3.089 0.298 192 H ILE 23 H ILE 23 -7.639 0.574 6.559 193 HA ILE 23 HA ILE 23 -8.014 -2.118 7.431 194 HB ILE 23 HB ILE 23 -5.831 -0.129 8.223 195 HG12 ILE 23 2HG1 ILE 23 -5.885 -0.439 5.769 196 HG13 ILE 23 3HG1 ILE 23 -4.434 -1.149 6.453 197 HG21 ILE 23 1HG2 ILE 23 -5.837 -3.160 8.427 198 HG22 ILE 23 2HG2 ILE 23 -5.896 -2.017 9.773 199 HG23 ILE 23 3HG2 ILE 23 -4.457 -2.111 8.759 200 HD11 ILE 23 3HD1 ILE 23 -5.444 -3.385 6.228 201 HD12 ILE 23 1HD1 ILE 23 -5.327 -2.525 4.693 202 HD13 ILE 23 2HD1 ILE 23 -6.882 -2.648 5.514 203 H SER 24 H SER 24 -8.121 1.071 8.997 204 HA SER 24 HA SER 24 -8.441 0.315 11.676 205 HB2 SER 24 2HB SER 24 -7.955 2.626 11.005 206 HB3 SER 24 3HB SER 24 -9.540 2.771 10.244 207 HG SER 24 HG SER 24 -8.978 2.396 13.009 208 H GLN 25 H GLN 25 -10.799 0.498 9.050 209 HA GLN 25 HA GLN 25 -13.101 0.060 10.789 210 HB2 GLN 25 2HB GLN 25 -12.890 0.184 7.754 211 HB3 GLN 25 3HB GLN 25 -14.396 0.110 8.665 212 HG2 GLN 25 2HG GLN 25 -13.944 2.291 9.661 213 HG3 GLN 25 3HG GLN 25 -12.378 2.360 8.855 214 HE21 GLN 25 1HE2 GLN 25 -12.332 2.606 6.573 215 HE22 GLN 25 2HE2 GLN 25 -13.676 3.266 5.717 216 H GLY 26 H GLY 26 -10.752 -1.969 9.651 217 HA2 GLY 26 2HA GLY 26 -10.588 -4.266 9.656 218 HA3 GLY 26 3HA GLY 26 -12.284 -4.374 10.105 219 H LEU 27 H LEU 27 -11.392 -2.537 7.309 220 HA LEU 27 HA LEU 27 -12.777 -4.448 5.552 221 HB2 LEU 27 2HB LEU 27 -11.936 -1.564 5.029 222 HB3 LEU 27 3HB LEU 27 -12.903 -2.564 3.954 223 HG LEU 27 HG LEU 27 -13.765 -1.623 6.717 224 HD11 LEU 27 1HD1 LEU 27 -14.662 -0.677 3.979 225 HD12 LEU 27 2HD1 LEU 27 -13.668 0.225 5.127 226 HD13 LEU 27 3HD1 LEU 27 -15.337 -0.166 5.529 227 HD21 LEU 27 3HD2 LEU 27 -15.313 -3.176 4.616 228 HD22 LEU 27 1HD2 LEU 27 -15.991 -2.507 6.104 229 HD23 LEU 27 2HD2 LEU 27 -14.774 -3.778 6.186 230 H ASP 28 H ASP 28 -11.722 -5.590 4.012 231 HA ASP 28 HA ASP 28 -8.895 -5.311 3.528 232 HB2 ASP 28 2HB ASP 28 -9.818 -7.531 3.372 233 HB3 ASP 28 3HB ASP 28 -11.042 -7.024 2.225 234 H LEU 29 H LEU 29 -7.939 -4.617 1.631 235 HA LEU 29 HA LEU 29 -9.406 -2.851 -0.187 236 HB2 LEU 29 2HB LEU 29 -8.829 -1.433 1.772 237 HB3 LEU 29 3HB LEU 29 -7.159 -1.967 1.696 238 HG LEU 29 HG LEU 29 -6.942 -0.814 -0.544 239 HD11 LEU 29 1HD1 LEU 29 -9.671 0.336 0.073 240 HD12 LEU 29 2HD1 LEU 29 -9.279 -0.790 -1.231 241 HD13 LEU 29 3HD1 LEU 29 -8.593 0.831 -1.237 242 HD21 LEU 29 3HD2 LEU 29 -6.783 1.453 0.340 243 HD22 LEU 29 1HD2 LEU 29 -6.149 0.270 1.487 244 HD23 LEU 29 2HD2 LEU 29 -7.741 0.986 1.749 245 H GLU 30 H GLU 30 -8.064 -2.281 -2.045 246 HA GLU 30 HA GLU 30 -5.379 -3.501 -2.175 247 HB2 GLU 30 2HB GLU 30 -6.985 -4.929 -3.433 248 HB3 GLU 30 3HB GLU 30 -7.433 -3.544 -4.429 249 HG2 GLU 30 2HG GLU 30 -5.238 -3.447 -5.431 250 HG3 GLU 30 3HG GLU 30 -4.592 -4.615 -4.277 251 H VAL 31 H VAL 31 -3.875 -2.135 -2.907 252 HA VAL 31 HA VAL 31 -4.646 0.351 -4.321 253 HB VAL 31 HB VAL 31 -2.738 1.515 -3.046 254 HG11 VAL 31 1HG1 VAL 31 -4.122 2.017 -1.036 255 HG12 VAL 31 2HG1 VAL 31 -5.180 0.661 -1.441 256 HG13 VAL 31 3HG1 VAL 31 -5.066 2.048 -2.528 257 HG21 VAL 31 3HG2 VAL 31 -3.039 -0.837 -1.147 258 HG22 VAL 31 1HG2 VAL 31 -2.067 0.611 -0.860 259 HG23 VAL 31 2HG2 VAL 31 -1.633 -0.505 -2.157 260 H GLU 32 H GLU 32 -3.664 0.409 -6.208 261 HA GLU 32 HA GLU 32 -1.224 -1.171 -6.693 262 HB2 GLU 32 2HB GLU 32 -3.115 -1.761 -8.128 263 HB3 GLU 32 3HB GLU 32 -3.295 -0.086 -8.644 264 HG2 GLU 32 2HG GLU 32 -1.146 -0.161 -9.810 265 HG3 GLU 32 3HG GLU 32 -0.820 -1.777 -9.184 266 H PHE 33 H PHE 33 0.607 -0.090 -6.834 267 HA PHE 33 HA PHE 33 0.589 2.833 -6.952 268 HB2 PHE 33 2HB PHE 33 1.780 1.623 -5.109 269 HB3 PHE 33 3HB PHE 33 2.866 0.917 -6.303 270 HD1 PHE 33 HD1 PHE 33 1.597 4.237 -5.123 271 HD2 PHE 33 HD2 PHE 33 4.882 2.030 -6.737 272 HE1 PHE 33 HE1 PHE 33 3.038 6.205 -4.888 273 HE2 PHE 33 HE2 PHE 33 6.305 4.005 -6.505 274 HZ PHE 33 HZ PHE 33 5.389 6.093 -5.580 275 H ASP 34 H ASP 34 0.591 3.554 -8.965 276 HA ASP 34 HA ASP 34 1.947 2.181 -11.143 277 HB2 ASP 34 2HB ASP 34 -0.306 3.100 -11.524 278 HB3 ASP 34 3HB ASP 34 0.250 4.711 -11.094 279 H SER 35 H SER 35 4.127 2.432 -10.549 280 HA SER 35 HA SER 35 5.310 4.825 -11.661 281 HB2 SER 35 2HB SER 35 5.079 5.491 -9.264 282 HB3 SER 35 3HB SER 35 5.998 4.065 -8.780 283 HG SER 35 HG SER 35 7.151 6.168 -9.026 284 H THR 36 H THR 36 7.275 4.418 -12.566 285 HA THR 36 HA THR 36 8.418 1.705 -12.372 286 HB THR 36 HB THR 36 9.827 2.534 -14.365 287 HG1 THR 36 HG1 THR 36 8.907 4.379 -15.458 288 HG21 THR 36 3HG2 THR 36 8.036 2.212 -16.025 289 HG22 THR 36 1HG2 THR 36 6.811 2.448 -14.770 290 HG23 THR 36 2HG2 THR 36 7.882 1.048 -14.711 291 H ASP 37 H ASP 37 8.749 4.400 -10.625 292 HA ASP 37 HA ASP 37 11.646 4.825 -10.777 293 HB2 ASP 37 2HB ASP 37 10.099 6.784 -10.643 294 HB3 ASP 37 3HB ASP 37 9.497 6.209 -9.093 295 H ASP 38 H ASP 38 12.846 3.440 -9.638 296 HA ASP 38 HA ASP 38 12.093 1.549 -7.823 297 HB2 ASP 38 2HB ASP 38 14.803 2.930 -8.038 298 HB3 ASP 38 3HB ASP 38 14.522 1.466 -7.101 299 H LYS 39 H LYS 39 13.197 4.869 -6.992 300 HA LYS 39 HA LYS 39 13.360 4.535 -4.190 301 HB2 LYS 39 2HB LYS 39 12.688 7.053 -5.773 302 HB3 LYS 39 3HB LYS 39 13.049 7.033 -4.051 303 HG2 LYS 39 2HG LYS 39 15.319 6.290 -4.470 304 HG3 LYS 39 3HG LYS 39 14.996 6.114 -6.195 305 HD2 LYS 39 2HD LYS 39 14.815 8.767 -4.713 306 HD3 LYS 39 3HD LYS 39 16.282 8.206 -5.513 307 HE2 LYS 39 2HE LYS 39 15.240 9.689 -7.048 308 HE3 LYS 39 3HE LYS 39 14.911 8.075 -7.665 309 HZ1 LYS 39 3HZ LYS 39 12.977 9.508 -7.795 310 HZ2 LYS 39 1HZ LYS 39 13.015 9.765 -6.126 311 HZ3 LYS 39 2HZ LYS 39 12.676 8.230 -6.737 312 H GLU 40 H GLU 40 10.650 5.564 -6.275 313 HA GLU 40 HA GLU 40 8.848 6.159 -4.158 314 HB2 GLU 40 2HB GLU 40 8.295 5.554 -7.097 315 HB3 GLU 40 3HB GLU 40 7.127 6.232 -5.972 316 HG2 GLU 40 2HG GLU 40 9.671 7.541 -6.953 317 HG3 GLU 40 3HG GLU 40 8.023 7.990 -7.370 318 H ILE 41 H ILE 41 9.381 3.274 -6.163 319 HA ILE 41 HA ILE 41 7.182 1.718 -5.317 320 HB ILE 41 HB ILE 41 9.904 0.913 -6.440 321 HG12 ILE 41 2HG1 ILE 41 7.172 1.137 -7.796 322 HG13 ILE 41 3HG1 ILE 41 8.492 2.286 -7.970 323 HG21 ILE 41 1HG2 ILE 41 8.911 -1.295 -6.955 324 HG22 ILE 41 2HG2 ILE 41 7.452 -0.839 -6.077 325 HG23 ILE 41 3HG2 ILE 41 8.984 -0.997 -5.216 326 HD11 ILE 41 3HD1 ILE 41 8.493 -0.584 -8.905 327 HD12 ILE 41 1HD1 ILE 41 9.856 0.533 -9.030 328 HD13 ILE 41 2HD1 ILE 41 8.360 0.864 -9.903 329 H GLU 42 H GLU 42 10.561 1.892 -4.162 330 HA GLU 42 HA GLU 42 10.262 -0.162 -2.184 331 HB2 GLU 42 2HB GLU 42 12.477 1.887 -2.584 332 HB3 GLU 42 3HB GLU 42 12.544 0.540 -1.446 333 HG2 GLU 42 2HG GLU 42 12.258 -1.039 -3.383 334 HG3 GLU 42 3HG GLU 42 12.351 0.349 -4.464 335 H GLU 43 H GLU 43 10.011 3.361 -2.154 336 HA GLU 43 HA GLU 43 9.583 3.709 0.605 337 HB2 GLU 43 2HB GLU 43 8.600 5.241 -1.821 338 HB3 GLU 43 3HB GLU 43 8.138 5.715 -0.195 339 HG2 GLU 43 2HG GLU 43 10.967 5.568 -1.248 340 HG3 GLU 43 3HG GLU 43 10.021 7.038 -1.046 341 H PHE 44 H PHE 44 7.339 2.836 -2.038 342 HA PHE 44 HA PHE 44 4.955 2.923 -0.514 343 HB2 PHE 44 2HB PHE 44 5.000 2.973 -2.986 344 HB3 PHE 44 3HB PHE 44 5.597 1.321 -3.026 345 HD1 PHE 44 HD1 PHE 44 2.698 3.320 -1.700 346 HD2 PHE 44 HD2 PHE 44 4.020 -0.400 -3.334 347 HE1 PHE 44 HE1 PHE 44 0.377 2.523 -1.810 348 HE2 PHE 44 HE2 PHE 44 1.700 -1.179 -3.438 349 HZ PHE 44 HZ PHE 44 -0.118 0.279 -2.686 350 H GLU 45 H GLU 45 7.254 0.294 -1.237 351 HA GLU 45 HA GLU 45 5.971 -1.867 0.005 352 HB2 GLU 45 2HB GLU 45 8.944 -1.277 -0.265 353 HB3 GLU 45 3HB GLU 45 8.302 -2.822 0.285 354 HG2 GLU 45 2HG GLU 45 7.195 -3.146 -1.868 355 HG3 GLU 45 3HG GLU 45 7.785 -1.578 -2.418 356 H ARG 46 H ARG 46 8.579 0.185 1.362 357 HA ARG 46 HA ARG 46 8.681 -1.146 3.824 358 HB2 ARG 46 2HB ARG 46 10.182 0.657 4.550 359 HB3 ARG 46 3HB ARG 46 10.570 0.124 2.921 360 HG2 ARG 46 2HG ARG 46 9.308 2.115 2.044 361 HG3 ARG 46 3HG ARG 46 9.137 2.675 3.707 362 HD2 ARG 46 2HD ARG 46 11.753 2.241 2.229 363 HD3 ARG 46 3HD ARG 46 10.988 3.799 2.547 364 HE ARG 46 HE ARG 46 11.513 2.310 4.948 365 HH11 ARG 46 1HH1 ARG 46 12.963 4.529 2.606 366 HH12 ARG 46 2HH1 ARG 46 14.180 5.089 3.713 367 HH21 ARG 46 1HH2 ARG 46 13.138 3.012 6.366 368 HH22 ARG 46 2HH2 ARG 46 14.275 4.222 5.856 369 H ASP 47 H ASP 47 7.110 1.919 2.953 370 HA ASP 47 HA ASP 47 6.019 2.516 5.458 371 HB2 ASP 47 2HB ASP 47 5.248 3.283 2.631 372 HB3 ASP 47 3HB ASP 47 4.339 3.864 4.019 373 H MET 48 H MET 48 4.613 0.539 2.776 374 HA MET 48 HA MET 48 2.142 0.025 4.143 375 HB2 MET 48 2HB MET 48 3.462 -1.392 1.796 376 HB3 MET 48 3HB MET 48 1.937 -1.953 2.479 377 HG2 MET 48 2HG MET 48 2.457 0.752 1.233 378 HG3 MET 48 3HG MET 48 1.494 -0.562 0.549 379 HE1 MET 48 3HE MET 48 -1.154 2.244 1.473 380 HE2 MET 48 1HE MET 48 -0.479 1.269 0.167 381 HE3 MET 48 2HE MET 48 0.501 2.522 0.932 382 H GLU 49 H GLU 49 5.252 -1.633 4.142 383 HA GLU 49 HA GLU 49 4.505 -3.990 5.531 384 HB2 GLU 49 2HB GLU 49 7.218 -2.595 5.393 385 HB3 GLU 49 3HB GLU 49 6.956 -4.199 6.075 386 HG2 GLU 49 2HG GLU 49 6.224 -5.049 3.914 387 HG3 GLU 49 3HG GLU 49 6.363 -3.446 3.202 388 H ASP 50 H ASP 50 5.856 -0.897 6.653 389 HA ASP 50 HA ASP 50 5.786 -1.578 9.427 390 HB2 ASP 50 2HB ASP 50 6.231 1.004 7.892 391 HB3 ASP 50 3HB ASP 50 6.075 1.032 9.644 392 H LEU 51 H LEU 51 3.518 0.011 7.228 393 HA LEU 51 HA LEU 51 1.557 0.798 9.088 394 HB2 LEU 51 2HB LEU 51 1.567 1.399 6.651 395 HB3 LEU 51 3HB LEU 51 1.133 -0.255 6.261 396 HG LEU 51 HG LEU 51 -1.055 0.048 7.436 397 HD11 LEU 51 1HD1 LEU 51 -1.800 2.293 8.112 398 HD12 LEU 51 2HD1 LEU 51 -0.176 2.924 7.824 399 HD13 LEU 51 3HD1 LEU 51 -0.448 1.724 9.091 400 HD21 LEU 51 3HD2 LEU 51 -0.492 2.132 5.306 401 HD22 LEU 51 1HD2 LEU 51 -2.085 1.522 5.765 402 HD23 LEU 51 2HD2 LEU 51 -0.908 0.438 5.024 403 H ALA 52 H ALA 52 2.060 -2.248 7.333 404 HA ALA 52 HA ALA 52 -0.129 -3.704 8.357 405 HB1 ALA 52 3HB ALA 52 1.032 -5.671 7.470 406 HB2 ALA 52 1HB ALA 52 2.520 -4.727 7.283 407 HB3 ALA 52 2HB ALA 52 1.093 -4.336 6.323 408 H LYS 53 H LYS 53 3.215 -3.363 9.466 409 HA LYS 53 HA LYS 53 3.211 -5.222 11.570 410 HB2 LYS 53 2HB LYS 53 4.784 -2.659 11.113 411 HB3 LYS 53 3HB LYS 53 5.057 -3.673 12.525 412 HG2 LYS 53 2HG LYS 53 5.841 -5.505 11.194 413 HG3 LYS 53 3HG LYS 53 5.275 -4.754 9.699 414 HD2 LYS 53 2HD LYS 53 7.746 -4.581 9.947 415 HD3 LYS 53 3HD LYS 53 6.970 -2.997 9.886 416 HE2 LYS 53 2HE LYS 53 7.131 -2.848 12.363 417 HE3 LYS 53 3HE LYS 53 7.952 -4.410 12.392 418 HZ1 LYS 53 3HZ LYS 53 9.749 -3.469 11.112 419 HZ2 LYS 53 1HZ LYS 53 9.495 -2.545 12.505 420 HZ3 LYS 53 2HZ LYS 53 8.956 -1.982 11.004 421 H LYS 54 H LYS 54 2.566 -1.707 11.625 422 HA LYS 54 HA LYS 54 2.038 -1.548 14.407 423 HB2 LYS 54 2HB LYS 54 1.375 0.373 12.136 424 HB3 LYS 54 3HB LYS 54 1.144 0.752 13.842 425 HG2 LYS 54 2HG LYS 54 3.620 0.374 14.200 426 HG3 LYS 54 3HG LYS 54 3.786 0.182 12.453 427 HD2 LYS 54 2HD LYS 54 4.396 2.461 13.125 428 HD3 LYS 54 3HD LYS 54 2.947 2.484 12.114 429 HE2 LYS 54 2HE LYS 54 2.734 4.031 14.014 430 HE3 LYS 54 3HE LYS 54 1.543 2.736 14.134 431 HZ1 LYS 54 3HZ LYS 54 2.530 3.114 16.269 432 HZ2 LYS 54 1HZ LYS 54 4.093 2.949 15.650 433 HZ3 LYS 54 2HZ LYS 54 3.061 1.615 15.710 434 H THR 55 H THR 55 -0.053 -2.198 11.655 435 HA THR 55 HA THR 55 -2.484 -2.026 13.294 436 HB THR 55 HB THR 55 -3.699 -2.550 11.183 437 HG1 THR 55 HG1 THR 55 -1.567 -2.171 9.508 438 HG21 THR 55 3HG2 THR 55 -3.236 -0.180 11.720 439 HG22 THR 55 1HG2 THR 55 -3.200 -0.452 9.976 440 HG23 THR 55 2HG2 THR 55 -1.688 -0.286 10.873 441 H GLY 56 H GLY 56 -0.133 -4.366 12.469 442 HA2 GLY 56 2HA GLY 56 0.062 -6.576 12.994 443 HA3 GLY 56 3HA GLY 56 -1.459 -6.482 13.866 444 H VAL 57 H VAL 57 -1.269 -5.581 10.530 445 HA VAL 57 HA VAL 57 -2.702 -8.038 9.696 446 HB VAL 57 HB VAL 57 -3.718 -6.873 7.902 447 HG11 VAL 57 1HG1 VAL 57 -4.983 -5.066 8.969 448 HG12 VAL 57 2HG1 VAL 57 -3.812 -5.013 10.291 449 HG13 VAL 57 3HG1 VAL 57 -4.797 -6.457 10.041 450 HG21 VAL 57 3HG2 VAL 57 -3.270 -4.509 7.276 451 HG22 VAL 57 1HG2 VAL 57 -1.879 -5.566 7.020 452 HG23 VAL 57 2HG2 VAL 57 -1.918 -4.481 8.415 453 H GLN 58 H GLN 58 -2.229 -8.520 7.225 454 HA GLN 58 HA GLN 58 0.683 -8.271 6.729 455 HB2 GLN 58 2HB GLN 58 -1.279 -10.379 5.722 456 HB3 GLN 58 3HB GLN 58 0.380 -10.236 5.154 457 HG2 GLN 58 2HG GLN 58 -0.524 -10.935 7.958 458 HG3 GLN 58 3HG GLN 58 0.250 -12.005 6.794 459 HE21 GLN 58 1HE2 GLN 58 0.741 -9.474 9.116 460 HE22 GLN 58 2HE2 GLN 58 2.466 -9.523 9.129 461 H ILE 59 H ILE 59 1.340 -8.050 4.462 462 HA ILE 59 HA ILE 59 -0.691 -6.760 2.714 463 HB ILE 59 HB ILE 59 1.101 -5.492 1.628 464 HG12 ILE 59 2HG1 ILE 59 3.047 -6.639 3.682 465 HG13 ILE 59 3HG1 ILE 59 2.974 -7.133 1.995 466 HG21 ILE 59 1HG2 ILE 59 1.226 -5.117 4.634 467 HG22 ILE 59 2HG2 ILE 59 -0.011 -4.462 3.566 468 HG23 ILE 59 3HG2 ILE 59 1.657 -3.909 3.422 469 HD11 ILE 59 3HD1 ILE 59 3.580 -4.860 1.305 470 HD12 ILE 59 1HD1 ILE 59 4.789 -5.588 2.360 471 HD13 ILE 59 2HD1 ILE 59 3.683 -4.375 3.001 472 H GLN 60 H GLN 60 -0.447 -7.210 0.420 473 HA GLN 60 HA GLN 60 0.931 -9.772 -0.194 474 HB2 GLN 60 2HB GLN 60 -1.622 -9.878 0.068 475 HB3 GLN 60 3HB GLN 60 -1.756 -8.822 -1.324 476 HG2 GLN 60 2HG GLN 60 -0.416 -11.541 -1.441 477 HG3 GLN 60 3HG GLN 60 -2.134 -11.313 -1.705 478 HE21 GLN 60 1HE2 GLN 60 1.041 -10.897 -3.062 479 HE22 GLN 60 2HE2 GLN 60 0.527 -10.455 -4.649 480 H LYS 61 H LYS 61 2.718 -8.923 -1.249 481 HA LYS 61 HA LYS 61 2.510 -6.716 -3.107 482 HB2 LYS 61 2HB LYS 61 4.849 -8.564 -2.444 483 HB3 LYS 61 3HB LYS 61 4.957 -7.181 -3.530 484 HG2 LYS 61 2HG LYS 61 4.359 -5.670 -1.651 485 HG3 LYS 61 3HG LYS 61 4.297 -7.064 -0.567 486 HD2 LYS 61 2HD LYS 61 6.715 -7.513 -1.071 487 HD3 LYS 61 3HD LYS 61 6.752 -6.057 -2.068 488 HE2 LYS 61 2HE LYS 61 6.235 -4.687 -0.089 489 HE3 LYS 61 3HE LYS 61 6.164 -6.140 0.909 490 HZ1 LYS 61 3HZ LYS 61 8.536 -4.993 -0.446 491 HZ2 LYS 61 1HZ LYS 61 8.522 -6.545 0.220 492 HZ3 LYS 61 2HZ LYS 61 8.285 -5.197 1.211 493 H GLN 62 H GLN 62 1.779 -6.984 -5.096 494 HA GLN 62 HA GLN 62 2.271 -9.474 -6.621 495 HB2 GLN 62 2HB GLN 62 -0.117 -9.263 -5.834 496 HB3 GLN 62 3HB GLN 62 -0.238 -7.721 -6.674 497 HG2 GLN 62 2HG GLN 62 -1.299 -9.465 -7.993 498 HG3 GLN 62 3HG GLN 62 0.140 -8.891 -8.835 499 HE21 GLN 62 1HE2 GLN 62 -1.250 -11.559 -7.025 500 HE22 GLN 62 2HE2 GLN 62 -0.094 -12.746 -7.509 501 H TRP 63 H TRP 63 3.711 -8.890 -8.163 502 HA TRP 63 HA TRP 63 3.935 -6.162 -9.101 503 HB2 TRP 63 2HB TRP 63 5.405 -8.737 -9.781 504 HB3 TRP 63 3HB TRP 63 5.704 -7.230 -10.645 505 HD1 TRP 63 HD1 TRP 63 6.385 -8.904 -7.259 506 HE1 TRP 63 HE1 TRP 63 8.034 -7.440 -5.936 507 HE3 TRP 63 HE3 TRP 63 6.475 -4.777 -10.309 508 HZ2 TRP 63 HZ2 TRP 63 9.222 -4.894 -6.145 509 HZ3 TRP 63 HZ3 TRP 63 7.901 -2.871 -9.669 510 HH2 TRP 63 HH2 TRP 63 9.245 -2.934 -7.628 511 H GLN 64 H GLN 64 2.444 -5.410 -10.460 512 HA GLN 64 HA GLN 64 1.265 -7.084 -12.582 513 HB2 GLN 64 2HB GLN 64 -0.195 -5.671 -11.022 514 HB3 GLN 64 3HB GLN 64 0.575 -4.234 -11.682 515 HG2 GLN 64 2HG GLN 64 -1.516 -4.425 -12.789 516 HG3 GLN 64 3HG GLN 64 -0.319 -4.952 -13.970 517 HE21 GLN 64 1HE2 GLN 64 -0.213 -7.191 -14.480 518 HE22 GLN 64 2HE2 GLN 64 -1.531 -8.254 -14.145 519 H GLY 65 H GLY 65 3.105 -7.178 -13.912 520 HA2 GLY 65 2HA GLY 65 4.772 -6.516 -15.348 521 HA3 GLY 65 3HA GLY 65 4.012 -4.927 -15.429 522 H ASN 66 H ASN 66 5.698 -3.533 -15.023 523 HA ASN 66 HA ASN 66 7.457 -3.981 -12.697 524 HB2 ASN 66 2HB ASN 66 7.603 -1.885 -14.914 525 HB3 ASN 66 3HB ASN 66 8.739 -2.014 -13.575 526 HD21 ASN 66 1HD2 ASN 66 10.489 -2.346 -14.997 527 HD22 ASN 66 2HD2 ASN 66 10.710 -3.834 -15.849 528 H LYS 67 H LYS 67 4.571 -3.265 -12.513 529 HA LYS 67 HA LYS 67 4.725 -0.749 -10.949 530 HB2 LYS 67 2HB LYS 67 2.224 -2.021 -12.179 531 HB3 LYS 67 3HB LYS 67 2.302 -0.488 -11.316 532 HG2 LYS 67 2HG LYS 67 3.616 -1.082 -13.983 533 HG3 LYS 67 3HG LYS 67 2.125 -0.166 -13.746 534 HD2 LYS 67 2HD LYS 67 3.325 1.586 -12.560 535 HD3 LYS 67 3HD LYS 67 4.822 0.644 -12.594 536 HE2 LYS 67 2HE LYS 67 4.871 2.394 -14.292 537 HE3 LYS 67 3HE LYS 67 4.855 0.809 -15.055 538 HZ1 LYS 67 3HZ LYS 67 3.379 2.315 -16.191 539 HZ2 LYS 67 1HZ LYS 67 2.528 2.630 -14.767 540 HZ3 LYS 67 2HZ LYS 67 2.473 1.089 -15.459 541 H LEU 68 H LEU 68 4.211 -0.961 -8.781 542 HA LEU 68 HA LEU 68 3.989 -3.718 -7.799 543 HB2 LEU 68 2HB LEU 68 5.821 -2.315 -6.975 544 HB3 LEU 68 3HB LEU 68 4.670 -1.122 -6.389 545 HG LEU 68 HG LEU 68 3.771 -2.827 -4.778 546 HD11 LEU 68 1HD1 LEU 68 4.381 -4.883 -5.947 547 HD12 LEU 68 2HD1 LEU 68 5.023 -4.871 -4.306 548 HD13 LEU 68 3HD1 LEU 68 6.094 -4.551 -5.675 549 HD21 LEU 68 3HD2 LEU 68 5.588 -2.663 -3.202 550 HD22 LEU 68 1HD2 LEU 68 5.436 -1.160 -4.110 551 HD23 LEU 68 2HD2 LEU 68 6.728 -2.297 -4.500 552 H ARG 69 H ARG 69 1.910 -4.290 -7.833 553 HA ARG 69 HA ARG 69 -0.244 -2.662 -6.688 554 HB2 ARG 69 2HB ARG 69 -0.686 -3.780 -8.798 555 HB3 ARG 69 3HB ARG 69 -0.065 -5.306 -8.193 556 HG2 ARG 69 2HG ARG 69 -2.038 -5.485 -6.689 557 HG3 ARG 69 3HG ARG 69 -2.671 -3.985 -7.379 558 HD2 ARG 69 2HD ARG 69 -2.864 -4.994 -9.574 559 HD3 ARG 69 3HD ARG 69 -2.004 -6.443 -9.040 560 HE ARG 69 HE ARG 69 -4.192 -6.290 -7.405 561 HH11 ARG 69 1HH1 ARG 69 -3.743 -6.506 -10.885 562 HH12 ARG 69 2HH1 ARG 69 -5.241 -7.350 -11.137 563 HH21 ARG 69 1HH2 ARG 69 -6.128 -7.387 -7.740 564 HH22 ARG 69 2HH2 ARG 69 -6.598 -7.850 -9.351 565 H ILE 70 H ILE 70 -0.339 -2.754 -4.447 566 HA ILE 70 HA ILE 70 0.206 -5.362 -3.108 567 HB ILE 70 HB ILE 70 0.543 -2.568 -1.907 568 HG12 ILE 70 2HG1 ILE 70 2.589 -4.745 -2.562 569 HG13 ILE 70 3HG1 ILE 70 2.447 -3.174 -3.338 570 HG21 ILE 70 1HG2 ILE 70 0.901 -5.277 -0.568 571 HG22 ILE 70 2HG2 ILE 70 -0.387 -4.117 -0.233 572 HG23 ILE 70 3HG2 ILE 70 1.285 -3.716 0.160 573 HD11 ILE 70 3HD1 ILE 70 3.104 -2.080 -1.237 574 HD12 ILE 70 1HD1 ILE 70 4.324 -3.210 -1.820 575 HD13 ILE 70 2HD1 ILE 70 3.282 -3.664 -0.472 576 H ARG 71 H ARG 71 -1.511 -6.307 -2.236 577 HA ARG 71 HA ARG 71 -3.998 -4.812 -1.808 578 HB2 ARG 71 2HB ARG 71 -4.058 -6.879 -3.168 579 HB3 ARG 71 3HB ARG 71 -3.452 -7.813 -1.801 580 HG2 ARG 71 2HG ARG 71 -5.489 -7.459 -0.558 581 HG3 ARG 71 3HG ARG 71 -6.066 -6.274 -1.732 582 HD2 ARG 71 2HD ARG 71 -6.293 -8.009 -3.431 583 HD3 ARG 71 3HD ARG 71 -5.609 -9.213 -2.328 584 HE ARG 71 HE ARG 71 -7.824 -8.061 -1.057 585 HH11 ARG 71 1HH1 ARG 71 -7.189 -10.068 -3.884 586 HH12 ARG 71 2HH1 ARG 71 -8.727 -10.861 -3.821 587 HH21 ARG 71 1HH2 ARG 71 -9.824 -9.115 -0.975 588 HH22 ARG 71 2HH2 ARG 71 -10.226 -10.302 -2.150 589 H LEU 72 H LEU 72 -4.631 -4.252 0.151 590 HA LEU 72 HA LEU 72 -3.009 -4.980 2.516 591 HB2 LEU 72 2HB LEU 72 -4.836 -2.592 2.049 592 HB3 LEU 72 3HB LEU 72 -3.754 -2.823 3.417 593 HG LEU 72 HG LEU 72 -2.837 -2.453 0.539 594 HD11 LEU 72 1HD1 LEU 72 -2.885 -0.463 2.812 595 HD12 LEU 72 2HD1 LEU 72 -3.923 -0.447 1.383 596 HD13 LEU 72 3HD1 LEU 72 -2.188 -0.205 1.212 597 HD21 LEU 72 3HD2 LEU 72 -1.227 -3.725 1.883 598 HD22 LEU 72 1HD2 LEU 72 -1.235 -2.459 3.116 599 HD23 LEU 72 2HD2 LEU 72 -0.606 -2.122 1.499 600 H LYS 73 H LYS 73 -4.011 -6.267 4.009 601 HA LYS 73 HA LYS 73 -6.933 -6.678 3.717 602 HB2 LYS 73 2HB LYS 73 -6.462 -8.949 4.686 603 HB3 LYS 73 3HB LYS 73 -5.753 -8.647 3.103 604 HG2 LYS 73 2HG LYS 73 -3.561 -8.186 4.193 605 HG3 LYS 73 3HG LYS 73 -4.290 -8.563 5.756 606 HD2 LYS 73 2HD LYS 73 -3.088 -10.507 4.973 607 HD3 LYS 73 3HD LYS 73 -4.820 -10.843 4.932 608 HE2 LYS 73 2HE LYS 73 -4.883 -10.427 2.517 609 HE3 LYS 73 3HE LYS 73 -3.182 -9.965 2.534 610 HZ1 LYS 73 3HZ LYS 73 -4.224 -12.667 3.213 611 HZ2 LYS 73 1HZ LYS 73 -2.601 -12.217 3.150 612 HZ3 LYS 73 2HZ LYS 73 -3.526 -12.238 1.735 613 H GLY 74 H GLY 74 -7.806 -5.355 5.165 614 HA2 GLY 74 2HA GLY 74 -6.963 -5.087 7.920 615 HA3 GLY 74 3HA GLY 74 -8.451 -4.472 7.211 616 H SER 75 H SER 75 -7.373 -7.877 7.291 617 HA SER 75 HA SER 75 -9.363 -8.672 9.208 618 HB2 SER 75 2HB SER 75 -10.650 -10.064 7.482 619 HB3 SER 75 3HB SER 75 -10.900 -8.323 7.380 620 HG SER 75 HG SER 75 -8.940 -9.633 5.806 621 H LEU 76 H LEU 76 -7.546 -9.701 10.192 622 HA LEU 76 HA LEU 76 -6.903 -12.333 8.967 623 HB2 LEU 76 2HB LEU 76 -5.012 -10.578 10.602 624 HB3 LEU 76 3HB LEU 76 -4.732 -12.286 10.343 625 HG LEU 76 HG LEU 76 -3.321 -11.179 8.776 626 HD11 LEU 76 1HD1 LEU 76 -4.516 -13.094 7.845 627 HD12 LEU 76 2HD1 LEU 76 -4.072 -11.902 6.628 628 HD13 LEU 76 3HD1 LEU 76 -5.742 -12.006 7.189 629 HD21 LEU 76 3HD2 LEU 76 -5.637 -9.481 7.854 630 HD22 LEU 76 1HD2 LEU 76 -3.962 -9.399 7.308 631 HD23 LEU 76 2HD2 LEU 76 -4.369 -8.956 8.962 632 H GLU 77 H GLU 77 -7.431 -14.041 10.227 633 HA GLU 77 HA GLU 77 -8.744 -13.847 12.733 634 HB2 GLU 77 2HB GLU 77 -8.590 -16.307 12.781 635 HB3 GLU 77 3HB GLU 77 -9.036 -15.751 11.173 636 HG2 GLU 77 2HG GLU 77 -6.759 -16.098 10.362 637 HG3 GLU 77 3HG GLU 77 -6.224 -16.552 11.980 638 H HIS 78 H HIS 78 -5.427 -14.312 11.793 639 HA HIS 78 HA HIS 78 -4.520 -14.252 14.604 640 HB2 HIS 78 2HB HIS 78 -3.116 -15.339 12.113 641 HB3 HIS 78 3HB HIS 78 -2.361 -15.201 13.699 642 HD1 HIS 78 HD1 HIS 78 -2.888 -17.935 12.100 643 HD2 HIS 78 HD2 HIS 78 -5.129 -16.471 15.281 644 HE1 HIS 78 HE1 HIS 78 -4.016 -19.935 13.115 645 HE2 HIS 78 HE2 HIS 78 -5.165 -19.041 15.160 646 H HIS 79 H HIS 79 -4.822 -12.016 14.671 647 HA HIS 79 HA HIS 79 -3.467 -10.078 13.127 648 HB2 HIS 79 2HB HIS 79 -5.284 -9.500 14.651 649 HB3 HIS 79 3HB HIS 79 -4.391 -10.110 16.033 650 HD1 HIS 79 HD1 HIS 79 -2.382 -8.616 16.889 651 HD2 HIS 79 HD2 HIS 79 -4.786 -6.851 13.992 652 HE1 HIS 79 HE1 HIS 79 -1.884 -6.161 16.998 653 HE2 HIS 79 HE2 HIS 79 -3.292 -5.125 15.192 654 H HIS 80 H HIS 80 -1.288 -10.459 12.740 655 HA HIS 80 HA HIS 80 0.513 -10.668 15.068 656 HB2 HIS 80 2HB HIS 80 1.789 -12.475 14.127 657 HB3 HIS 80 3HB HIS 80 0.101 -12.968 14.124 658 HD1 HIS 80 HD1 HIS 80 2.964 -12.172 11.849 659 HD2 HIS 80 HD2 HIS 80 -0.988 -13.422 11.550 660 HE1 HIS 80 HE1 HIS 80 2.663 -12.904 9.474 661 HE2 HIS 80 HE2 HIS 80 0.287 -13.703 9.338 662 H HIS 81 H HIS 81 2.648 -10.102 14.687 663 HA HIS 81 HA HIS 81 3.542 -8.873 12.242 664 HB2 HIS 81 2HB HIS 81 4.039 -6.650 13.334 665 HB3 HIS 81 3HB HIS 81 2.323 -6.962 13.134 666 HD1 HIS 81 HD1 HIS 81 4.797 -6.034 15.650 667 HD2 HIS 81 HD2 HIS 81 0.987 -7.690 15.628 668 HE1 HIS 81 HE1 HIS 81 3.916 -5.739 17.986 669 HE2 HIS 81 HE2 HIS 81 1.569 -6.642 17.911 670 H HIS 82 H HIS 82 4.167 -11.079 14.112 671 HA HIS 82 HA HIS 82 6.481 -10.521 15.647 672 HB2 HIS 82 2HB HIS 82 5.071 -12.463 16.123 673 HB3 HIS 82 3HB HIS 82 5.415 -13.149 14.540 674 HD1 HIS 82 HD1 HIS 82 7.790 -14.205 14.190 675 HD2 HIS 82 HD2 HIS 82 7.024 -12.969 18.091 676 HE1 HIS 82 HE1 HIS 82 9.574 -15.262 15.597 677 HE2 HIS 82 HE2 HIS 82 8.963 -14.665 17.958 678 H HIS 83 H HIS 83 8.527 -10.299 15.053 679 HA HIS 83 HA HIS 83 9.615 -11.645 12.674 680 HB2 HIS 83 2HB HIS 83 10.037 -8.696 13.380 681 HB3 HIS 83 3HB HIS 83 11.025 -9.571 12.214 682 HD1 HIS 83 HD1 HIS 83 9.708 -10.475 10.052 683 HD2 HIS 83 HD2 HIS 83 7.681 -7.651 12.333 684 HE1 HIS 83 HE1 HIS 83 7.866 -9.615 8.578 685 HE2 HIS 83 HE2 HIS 83 6.617 -7.961 10.005 Start of MODEL 6 1 H1 MET 1 1H MET 1 -19.110 -1.498 -4.948 2 H2 MET 1 2H MET 1 -19.433 -0.869 -3.416 3 H3 MET 1 3H MET 1 -20.639 -0.869 -4.597 4 HA MET 1 HA MET 1 -20.998 -2.584 -2.969 5 HB2 MET 1 2HB MET 1 -21.741 -2.891 -5.349 6 HB3 MET 1 3HB MET 1 -20.218 -3.688 -5.709 7 HG2 MET 1 2HG MET 1 -22.190 -4.749 -3.668 8 HG3 MET 1 3HG MET 1 -22.212 -5.212 -5.370 9 HE1 MET 1 3HE MET 1 -21.853 -7.222 -2.697 10 HE2 MET 1 1HE MET 1 -20.724 -8.369 -3.409 11 HE3 MET 1 2HE MET 1 -22.098 -7.784 -4.353 12 H GLY 2 H GLY 2 -20.197 -4.222 -1.700 13 HA2 GLY 2 2HA GLY 2 -18.814 -5.998 -1.087 14 HA3 GLY 2 3HA GLY 2 -17.627 -5.497 -2.286 15 H LEU 3 H LEU 3 -15.984 -5.719 -0.720 16 HA LEU 3 HA LEU 3 -15.866 -3.636 1.401 17 HB2 LEU 3 2HB LEU 3 -14.474 -6.354 1.390 18 HB3 LEU 3 3HB LEU 3 -14.450 -5.175 2.696 19 HG LEU 3 HG LEU 3 -16.894 -6.738 1.761 20 HD11 LEU 3 1HD1 LEU 3 -15.310 -7.028 4.327 21 HD12 LEU 3 2HD1 LEU 3 -15.272 -8.136 2.954 22 HD13 LEU 3 3HD1 LEU 3 -16.761 -7.930 3.872 23 HD21 LEU 3 3HD2 LEU 3 -16.651 -4.769 4.057 24 HD22 LEU 3 1HD2 LEU 3 -18.056 -5.777 3.700 25 HD23 LEU 3 2HD2 LEU 3 -17.559 -4.531 2.562 26 H THR 4 H THR 4 -14.229 -5.313 -1.195 27 HA THR 4 HA THR 4 -11.676 -3.932 -0.855 28 HB THR 4 HB THR 4 -12.521 -6.017 -2.934 29 HG1 THR 4 HG1 THR 4 -11.073 -6.533 -0.540 30 HG21 THR 4 3HG2 THR 4 -10.417 -4.918 -3.575 31 HG22 THR 4 1HG2 THR 4 -10.092 -6.564 -3.027 32 HG23 THR 4 2HG2 THR 4 -9.754 -5.198 -1.962 33 H ARG 5 H ARG 5 -10.676 -3.203 -3.050 34 HA ARG 5 HA ARG 5 -12.061 -2.189 -5.187 35 HB2 ARG 5 2HB ARG 5 -12.197 0.200 -4.817 36 HB3 ARG 5 3HB ARG 5 -13.061 -0.576 -3.499 37 HG2 ARG 5 2HG ARG 5 -11.139 -0.205 -2.005 38 HG3 ARG 5 3HG ARG 5 -10.245 0.538 -3.333 39 HD2 ARG 5 2HD ARG 5 -11.124 2.295 -1.955 40 HD3 ARG 5 3HD ARG 5 -12.037 2.297 -3.469 41 HE ARG 5 HE ARG 5 -13.327 0.713 -1.475 42 HH11 ARG 5 1HH1 ARG 5 -12.826 4.063 -2.408 43 HH12 ARG 5 2HH1 ARG 5 -14.278 4.618 -1.639 44 HH21 ARG 5 1HH2 ARG 5 -15.186 1.462 -0.420 45 HH22 ARG 5 2HH2 ARG 5 -15.617 3.142 -0.508 46 H THR 6 H THR 6 -10.485 -1.003 -6.626 47 HA THR 6 HA THR 6 -7.678 -1.470 -5.768 48 HB THR 6 HB THR 6 -8.675 -1.664 -8.648 49 HG1 THR 6 HG1 THR 6 -7.798 -3.976 -7.438 50 HG21 THR 6 3HG2 THR 6 -6.259 -1.095 -8.418 51 HG22 THR 6 1HG2 THR 6 -6.479 -2.722 -9.072 52 HG23 THR 6 2HG2 THR 6 -6.030 -2.505 -7.380 53 H ILE 7 H ILE 7 -6.756 0.436 -5.378 54 HA ILE 7 HA ILE 7 -7.590 2.857 -6.856 55 HB ILE 7 HB ILE 7 -5.985 2.642 -4.267 56 HG12 ILE 7 2HG1 ILE 7 -8.922 3.365 -4.657 57 HG13 ILE 7 3HG1 ILE 7 -8.318 1.882 -3.930 58 HG21 ILE 7 1HG2 ILE 7 -5.463 4.684 -5.545 59 HG22 ILE 7 2HG2 ILE 7 -6.320 5.065 -4.052 60 HG23 ILE 7 3HG2 ILE 7 -7.180 5.099 -5.593 61 HD11 ILE 7 3HD1 ILE 7 -7.374 3.178 -2.076 62 HD12 ILE 7 1HD1 ILE 7 -9.112 3.416 -2.247 63 HD13 ILE 7 2HD1 ILE 7 -7.998 4.667 -2.797 64 H THR 8 H THR 8 -6.282 3.356 -8.531 65 HA THR 8 HA THR 8 -3.417 2.589 -8.502 66 HB THR 8 HB THR 8 -3.602 3.049 -11.036 67 HG1 THR 8 HG1 THR 8 -5.495 4.200 -11.170 68 HG21 THR 8 3HG2 THR 8 -3.587 0.733 -10.155 69 HG22 THR 8 1HG2 THR 8 -4.652 0.869 -11.556 70 HG23 THR 8 2HG2 THR 8 -5.334 0.803 -9.931 71 H SER 9 H SER 9 -2.237 4.270 -7.716 72 HA SER 9 HA SER 9 -2.785 7.024 -8.663 73 HB2 SER 9 2HB SER 9 -3.924 6.756 -6.463 74 HB3 SER 9 3HB SER 9 -2.393 6.255 -5.737 75 HG SER 9 HG SER 9 -3.244 8.779 -6.579 76 H GLN 10 H GLN 10 -0.997 8.356 -8.771 77 HA GLN 10 HA GLN 10 1.576 7.050 -9.032 78 HB2 GLN 10 2HB GLN 10 0.737 8.656 -10.738 79 HB3 GLN 10 3HB GLN 10 0.755 9.945 -9.540 80 HG2 GLN 10 2HG GLN 10 3.228 9.688 -9.357 81 HG3 GLN 10 3HG GLN 10 3.173 8.456 -10.616 82 HE21 GLN 10 1HE2 GLN 10 2.828 11.872 -9.924 83 HE22 GLN 10 2HE2 GLN 10 2.952 12.414 -11.563 84 H ASN 11 H ASN 11 -0.004 8.769 -6.550 85 HA ASN 11 HA ASN 11 2.573 9.298 -5.167 86 HB2 ASN 11 2HB ASN 11 1.092 10.927 -3.699 87 HB3 ASN 11 3HB ASN 11 1.746 11.456 -5.239 88 HD21 ASN 11 1HD2 ASN 11 -1.113 9.390 -4.936 89 HD22 ASN 11 2HD2 ASN 11 -2.220 10.580 -5.469 90 H LYS 12 H LYS 12 3.012 7.839 -3.737 91 HA LYS 12 HA LYS 12 1.058 5.964 -2.768 92 HB2 LYS 12 2HB LYS 12 3.013 4.919 -1.531 93 HB3 LYS 12 3HB LYS 12 3.159 5.014 -3.273 94 HG2 LYS 12 2HG LYS 12 5.305 5.504 -2.414 95 HG3 LYS 12 3HG LYS 12 4.640 7.047 -2.958 96 HD2 LYS 12 2HD LYS 12 4.148 7.696 -0.659 97 HD3 LYS 12 3HD LYS 12 4.626 6.102 -0.064 98 HE2 LYS 12 2HE LYS 12 6.381 7.758 0.337 99 HE3 LYS 12 3HE LYS 12 6.929 6.517 -0.781 100 HZ1 LYS 12 3HZ LYS 12 7.661 8.621 -1.547 101 HZ2 LYS 12 1HZ LYS 12 6.109 9.284 -1.458 102 HZ3 LYS 12 2HZ LYS 12 6.455 8.095 -2.608 103 H GLU 13 H GLU 13 2.131 8.976 -1.628 104 HA GLU 13 HA GLU 13 2.115 8.666 1.170 105 HB2 GLU 13 2HB GLU 13 1.256 11.151 -0.376 106 HB3 GLU 13 3HB GLU 13 1.887 11.093 1.266 107 HG2 GLU 13 2HG GLU 13 4.086 10.490 0.485 108 HG3 GLU 13 3HG GLU 13 3.500 10.260 -1.160 109 H GLU 14 H GLU 14 -0.474 9.912 -0.999 110 HA GLU 14 HA GLU 14 -2.535 9.937 0.900 111 HB2 GLU 14 2HB GLU 14 -4.084 10.275 -0.875 112 HB3 GLU 14 3HB GLU 14 -2.606 11.107 -1.344 113 HG2 GLU 14 2HG GLU 14 -2.105 9.543 -3.039 114 HG3 GLU 14 3HG GLU 14 -3.166 8.311 -2.359 115 H LEU 15 H LEU 15 -1.236 7.326 -1.040 116 HA LEU 15 HA LEU 15 -3.395 5.489 -0.770 117 HB2 LEU 15 2HB LEU 15 -0.441 4.991 -1.340 118 HB3 LEU 15 3HB LEU 15 -1.664 3.730 -1.387 119 HG LEU 15 HG LEU 15 -1.543 6.165 -3.216 120 HD11 LEU 15 1HD1 LEU 15 0.165 4.496 -3.761 121 HD12 LEU 15 2HD1 LEU 15 -1.073 4.566 -5.013 122 HD13 LEU 15 3HD1 LEU 15 -1.068 3.234 -3.850 123 HD21 LEU 15 3HD2 LEU 15 -3.556 3.892 -3.160 124 HD22 LEU 15 1HD2 LEU 15 -3.438 5.128 -4.417 125 HD23 LEU 15 2HD2 LEU 15 -3.862 5.588 -2.772 126 H LEU 16 H LEU 16 -0.699 6.381 1.298 127 HA LEU 16 HA LEU 16 -0.930 4.159 3.146 128 HB2 LEU 16 2HB LEU 16 0.418 6.878 3.474 129 HB3 LEU 16 3HB LEU 16 0.619 5.512 4.564 130 HG LEU 16 HG LEU 16 1.458 5.498 1.646 131 HD11 LEU 16 1HD1 LEU 16 2.784 7.127 2.881 132 HD12 LEU 16 2HD1 LEU 16 3.755 5.732 2.417 133 HD13 LEU 16 3HD1 LEU 16 3.201 5.903 4.087 134 HD21 LEU 16 3HD2 LEU 16 0.957 3.270 2.511 135 HD22 LEU 16 1HD2 LEU 16 2.063 3.525 3.865 136 HD23 LEU 16 2HD2 LEU 16 2.681 3.461 2.212 137 H GLU 17 H GLU 17 -1.955 7.542 3.006 138 HA GLU 17 HA GLU 17 -3.154 7.782 5.547 139 HB2 GLU 17 2HB GLU 17 -3.761 9.304 2.974 140 HB3 GLU 17 3HB GLU 17 -4.231 9.816 4.597 141 HG2 GLU 17 2HG GLU 17 -1.831 9.953 5.241 142 HG3 GLU 17 3HG GLU 17 -1.380 9.471 3.606 143 H ILE 18 H ILE 18 -4.542 6.890 2.418 144 HA ILE 18 HA ILE 18 -7.226 6.514 3.379 145 HB ILE 18 HB ILE 18 -5.874 5.714 0.756 146 HG12 ILE 18 2HG1 ILE 18 -7.827 7.989 1.347 147 HG13 ILE 18 3HG1 ILE 18 -6.082 8.183 1.243 148 HG21 ILE 18 1HG2 ILE 18 -7.783 4.208 1.136 149 HG22 ILE 18 2HG2 ILE 18 -8.141 5.333 -0.177 150 HG23 ILE 18 3HG2 ILE 18 -8.837 5.595 1.423 151 HD11 ILE 18 3HD1 ILE 18 -7.139 8.923 -0.782 152 HD12 ILE 18 1HD1 ILE 18 -7.913 7.354 -1.004 153 HD13 ILE 18 2HD1 ILE 18 -6.156 7.497 -1.107 154 H ALA 19 H ALA 19 -4.381 4.453 2.873 155 HA ALA 19 HA ALA 19 -5.454 1.904 3.200 156 HB1 ALA 19 3HB ALA 19 -2.751 2.900 4.144 157 HB2 ALA 19 1HB ALA 19 -3.135 2.291 2.533 158 HB3 ALA 19 2HB ALA 19 -3.211 1.208 3.922 159 H LEU 20 H LEU 20 -3.971 3.936 5.754 160 HA LEU 20 HA LEU 20 -4.399 2.307 7.951 161 HB2 LEU 20 2HB LEU 20 -2.927 4.223 8.096 162 HB3 LEU 20 3HB LEU 20 -4.238 5.335 7.747 163 HG LEU 20 HG LEU 20 -5.259 4.823 9.979 164 HD11 LEU 20 1HD1 LEU 20 -2.793 3.146 10.508 165 HD12 LEU 20 2HD1 LEU 20 -4.442 2.547 10.319 166 HD13 LEU 20 3HD1 LEU 20 -4.035 3.579 11.687 167 HD21 LEU 20 3HD2 LEU 20 -3.631 6.024 11.354 168 HD22 LEU 20 1HD2 LEU 20 -3.768 6.748 9.753 169 HD23 LEU 20 2HD2 LEU 20 -2.374 5.739 10.149 170 H LYS 21 H LYS 21 -6.574 4.665 6.481 171 HA LYS 21 HA LYS 21 -8.618 4.752 8.403 172 HB2 LYS 21 2HB LYS 21 -8.380 6.347 6.514 173 HB3 LYS 21 3HB LYS 21 -8.801 5.068 5.379 174 HG2 LYS 21 2HG LYS 21 -11.056 4.905 6.447 175 HG3 LYS 21 3HG LYS 21 -10.625 6.245 7.515 176 HD2 LYS 21 2HD LYS 21 -10.848 6.349 4.482 177 HD3 LYS 21 3HD LYS 21 -11.976 7.058 5.639 178 HE2 LYS 21 2HE LYS 21 -10.253 8.621 6.403 179 HE3 LYS 21 3HE LYS 21 -9.066 7.871 5.334 180 HZ1 LYS 21 3HZ LYS 21 -10.417 8.561 3.441 181 HZ2 LYS 21 1HZ LYS 21 -9.912 9.877 4.367 182 HZ3 LYS 21 2HZ LYS 21 -11.507 9.329 4.483 183 H PHE 22 H PHE 22 -8.149 2.621 5.558 184 HA PHE 22 HA PHE 22 -10.672 1.257 5.870 185 HB2 PHE 22 2HB PHE 22 -8.278 0.840 4.058 186 HB3 PHE 22 3HB PHE 22 -9.506 -0.419 4.176 187 HD1 PHE 22 HD1 PHE 22 -9.511 3.349 3.847 188 HD2 PHE 22 HD2 PHE 22 -11.065 -0.380 2.427 189 HE1 PHE 22 HE1 PHE 22 -10.891 4.544 2.200 190 HE2 PHE 22 HE2 PHE 22 -12.436 0.831 0.783 191 HZ PHE 22 HZ PHE 22 -12.355 3.289 0.671 192 H ILE 23 H ILE 23 -7.358 0.602 6.906 193 HA ILE 23 HA ILE 23 -7.823 -2.069 7.815 194 HB ILE 23 HB ILE 23 -5.666 -0.133 8.785 195 HG12 ILE 23 2HG1 ILE 23 -5.561 -0.369 6.316 196 HG13 ILE 23 3HG1 ILE 23 -4.173 -1.137 7.071 197 HG21 ILE 23 1HG2 ILE 23 -5.814 -3.171 8.895 198 HG22 ILE 23 2HG2 ILE 23 -5.886 -2.058 10.265 199 HG23 ILE 23 3HG2 ILE 23 -4.398 -2.210 9.333 200 HD11 ILE 23 3HD1 ILE 23 -5.018 -2.435 5.215 201 HD12 ILE 23 1HD1 ILE 23 -6.605 -2.551 5.972 202 HD13 ILE 23 2HD1 ILE 23 -5.208 -3.332 6.721 203 H SER 24 H SER 24 -7.969 1.137 9.345 204 HA SER 24 HA SER 24 -8.595 0.380 11.987 205 HB2 SER 24 2HB SER 24 -9.358 2.898 10.453 206 HB3 SER 24 3HB SER 24 -9.496 2.712 12.204 207 HG SER 24 HG SER 24 -7.377 3.459 10.802 208 H GLN 25 H GLN 25 -10.552 0.539 9.099 209 HA GLN 25 HA GLN 25 -13.103 0.164 10.480 210 HB2 GLN 25 2HB GLN 25 -12.396 0.216 7.515 211 HB3 GLN 25 3HB GLN 25 -14.036 0.064 8.142 212 HG2 GLN 25 2HG GLN 25 -13.927 2.284 9.125 213 HG3 GLN 25 3HG GLN 25 -12.230 2.444 8.670 214 HE21 GLN 25 1HE2 GLN 25 -11.703 2.745 6.456 215 HE22 GLN 25 2HE2 GLN 25 -12.876 3.290 5.310 216 H GLY 26 H GLY 26 -10.566 -1.796 9.211 217 HA2 GLY 26 2HA GLY 26 -10.320 -4.105 9.318 218 HA3 GLY 26 3HA GLY 26 -12.021 -4.282 9.715 219 H LEU 27 H LEU 27 -11.475 -2.274 7.053 220 HA LEU 27 HA LEU 27 -12.627 -4.140 5.169 221 HB2 LEU 27 2HB LEU 27 -11.670 -1.260 4.856 222 HB3 LEU 27 3HB LEU 27 -12.404 -2.187 3.554 223 HG LEU 27 HG LEU 27 -13.794 -1.453 6.161 224 HD11 LEU 27 1HD1 LEU 27 -14.147 -0.281 3.384 225 HD12 LEU 27 2HD1 LEU 27 -13.409 0.520 4.776 226 HD13 LEU 27 3HD1 LEU 27 -15.120 0.102 4.809 227 HD21 LEU 27 3HD2 LEU 27 -14.895 -2.790 3.666 228 HD22 LEU 27 1HD2 LEU 27 -15.836 -2.280 5.071 229 HD23 LEU 27 2HD2 LEU 27 -14.637 -3.559 5.234 230 H ASP 28 H ASP 28 -11.598 -5.219 3.579 231 HA ASP 28 HA ASP 28 -8.737 -5.180 3.247 232 HB2 ASP 28 2HB ASP 28 -10.086 -7.252 2.899 233 HB3 ASP 28 3HB ASP 28 -10.919 -6.490 1.553 234 H LEU 29 H LEU 29 -7.609 -4.046 1.698 235 HA LEU 29 HA LEU 29 -9.016 -2.344 -0.250 236 HB2 LEU 29 2HB LEU 29 -8.699 -0.909 1.714 237 HB3 LEU 29 3HB LEU 29 -7.019 -1.402 1.860 238 HG LEU 29 HG LEU 29 -6.502 -0.254 -0.304 239 HD11 LEU 29 1HD1 LEU 29 -9.347 0.759 -0.197 240 HD12 LEU 29 2HD1 LEU 29 -8.685 -0.381 -1.373 241 HD13 LEU 29 3HD1 LEU 29 -8.088 1.275 -1.324 242 HD21 LEU 29 3HD2 LEU 29 -6.595 2.032 0.523 243 HD22 LEU 29 1HD2 LEU 29 -6.138 0.914 1.807 244 HD23 LEU 29 2HD2 LEU 29 -7.779 1.563 1.749 245 H GLU 30 H GLU 30 -8.085 -2.757 -2.181 246 HA GLU 30 HA GLU 30 -5.291 -3.703 -2.300 247 HB2 GLU 30 2HB GLU 30 -7.066 -5.126 -3.348 248 HB3 GLU 30 3HB GLU 30 -7.479 -3.792 -4.421 249 HG2 GLU 30 2HG GLU 30 -5.330 -3.906 -5.511 250 HG3 GLU 30 3HG GLU 30 -4.736 -5.083 -4.339 251 H VAL 31 H VAL 31 -3.803 -2.200 -2.821 252 HA VAL 31 HA VAL 31 -4.564 0.117 -4.539 253 HB VAL 31 HB VAL 31 -2.725 1.427 -3.307 254 HG11 VAL 31 1HG1 VAL 31 -5.094 1.897 -2.918 255 HG12 VAL 31 2HG1 VAL 31 -4.184 2.069 -1.416 256 HG13 VAL 31 3HG1 VAL 31 -5.173 0.629 -1.688 257 HG21 VAL 31 3HG2 VAL 31 -2.101 0.717 -1.026 258 HG22 VAL 31 1HG2 VAL 31 -1.566 -0.466 -2.224 259 HG23 VAL 31 2HG2 VAL 31 -2.992 -0.794 -1.237 260 H GLU 32 H GLU 32 -3.488 0.196 -6.386 261 HA GLU 32 HA GLU 32 -0.839 -1.069 -6.641 262 HB2 GLU 32 2HB GLU 32 -2.588 -1.836 -8.260 263 HB3 GLU 32 3HB GLU 32 -2.719 -0.189 -8.869 264 HG2 GLU 32 2HG GLU 32 -0.409 -0.233 -9.659 265 HG3 GLU 32 3HG GLU 32 -0.146 -1.810 -8.919 266 H PHE 33 H PHE 33 0.846 0.215 -6.689 267 HA PHE 33 HA PHE 33 0.627 3.090 -6.735 268 HB2 PHE 33 2HB PHE 33 2.200 1.868 -5.214 269 HB3 PHE 33 3HB PHE 33 3.082 1.282 -6.620 270 HD1 PHE 33 HD1 PHE 33 1.733 4.719 -5.942 271 HD2 PHE 33 HD2 PHE 33 5.200 2.245 -6.357 272 HE1 PHE 33 HE1 PHE 33 3.175 6.697 -5.783 273 HE2 PHE 33 HE2 PHE 33 6.622 4.230 -6.207 274 HZ PHE 33 HZ PHE 33 5.616 6.458 -5.924 275 H ASP 34 H ASP 34 0.318 4.020 -8.658 276 HA ASP 34 HA ASP 34 1.244 2.898 -11.162 277 HB2 ASP 34 2HB ASP 34 -1.000 3.965 -11.009 278 HB3 ASP 34 3HB ASP 34 -0.246 5.495 -10.586 279 H SER 35 H SER 35 3.508 2.976 -10.660 280 HA SER 35 HA SER 35 4.782 5.392 -11.658 281 HB2 SER 35 2HB SER 35 4.722 5.829 -9.228 282 HB3 SER 35 3HB SER 35 5.480 4.272 -8.905 283 HG SER 35 HG SER 35 6.796 6.343 -9.020 284 H THR 36 H THR 36 7.080 5.071 -12.056 285 HA THR 36 HA THR 36 7.979 2.264 -12.390 286 HB THR 36 HB THR 36 9.210 3.218 -14.502 287 HG1 THR 36 HG1 THR 36 7.147 4.969 -14.998 288 HG21 THR 36 3HG2 THR 36 7.400 1.560 -14.692 289 HG22 THR 36 1HG2 THR 36 7.304 2.759 -15.988 290 HG23 THR 36 2HG2 THR 36 6.198 2.850 -14.616 291 H ASP 37 H ASP 37 8.476 4.702 -10.482 292 HA ASP 37 HA ASP 37 11.415 4.893 -10.677 293 HB2 ASP 37 2HB ASP 37 10.051 6.977 -10.288 294 HB3 ASP 37 3HB ASP 37 9.493 6.301 -8.759 295 H ASP 38 H ASP 38 12.459 3.261 -9.753 296 HA ASP 38 HA ASP 38 11.482 1.297 -8.081 297 HB2 ASP 38 2HB ASP 38 14.378 2.226 -8.347 298 HB3 ASP 38 3HB ASP 38 13.884 0.720 -7.581 299 H LYS 39 H LYS 39 13.022 4.360 -7.158 300 HA LYS 39 HA LYS 39 13.528 3.727 -4.437 301 HB2 LYS 39 2HB LYS 39 13.118 6.484 -5.666 302 HB3 LYS 39 3HB LYS 39 13.863 6.154 -4.111 303 HG2 LYS 39 2HG LYS 39 14.964 5.404 -6.832 304 HG3 LYS 39 3HG LYS 39 15.528 6.713 -5.802 305 HD2 LYS 39 2HD LYS 39 17.112 5.196 -5.155 306 HD3 LYS 39 3HD LYS 39 15.848 4.598 -4.081 307 HE2 LYS 39 2HE LYS 39 15.234 2.926 -5.857 308 HE3 LYS 39 3HE LYS 39 16.611 3.500 -6.804 309 HZ1 LYS 39 3HZ LYS 39 16.693 2.179 -4.147 310 HZ2 LYS 39 1HZ LYS 39 18.036 2.908 -4.877 311 HZ3 LYS 39 2HZ LYS 39 17.289 1.588 -5.616 312 H GLU 40 H GLU 40 10.860 5.470 -6.018 313 HA GLU 40 HA GLU 40 9.319 6.060 -3.722 314 HB2 GLU 40 2HB GLU 40 8.562 5.725 -6.655 315 HB3 GLU 40 3HB GLU 40 7.421 6.255 -5.430 316 HG2 GLU 40 2HG GLU 40 9.957 7.709 -6.213 317 HG3 GLU 40 3HG GLU 40 8.327 8.112 -6.753 318 H ILE 41 H ILE 41 9.423 3.266 -5.897 319 HA ILE 41 HA ILE 41 7.218 1.811 -4.898 320 HB ILE 41 HB ILE 41 9.752 0.872 -6.319 321 HG12 ILE 41 2HG1 ILE 41 6.895 1.199 -7.361 322 HG13 ILE 41 3HG1 ILE 41 8.213 2.326 -7.653 323 HG21 ILE 41 1HG2 ILE 41 7.292 -0.794 -5.692 324 HG22 ILE 41 2HG2 ILE 41 8.904 -1.018 -5.010 325 HG23 ILE 41 3HG2 ILE 41 8.627 -1.293 -6.729 326 HD11 ILE 41 3HD1 ILE 41 7.824 0.940 -9.589 327 HD12 ILE 41 1HD1 ILE 41 8.069 -0.526 -8.637 328 HD13 ILE 41 2HD1 ILE 41 9.411 0.589 -8.907 329 H GLU 42 H GLU 42 10.678 1.850 -3.953 330 HA GLU 42 HA GLU 42 10.673 -0.247 -2.074 331 HB2 GLU 42 2HB GLU 42 12.376 2.278 -2.119 332 HB3 GLU 42 3HB GLU 42 12.687 0.887 -1.084 333 HG2 GLU 42 2HG GLU 42 13.094 -0.519 -3.047 334 HG3 GLU 42 3HG GLU 42 12.711 0.832 -4.109 335 H GLU 43 H GLU 43 9.984 3.199 -1.762 336 HA GLU 43 HA GLU 43 9.518 3.303 1.018 337 HB2 GLU 43 2HB GLU 43 8.350 5.074 -1.162 338 HB3 GLU 43 3HB GLU 43 8.328 5.421 0.566 339 HG2 GLU 43 2HG GLU 43 10.884 5.360 0.472 340 HG3 GLU 43 3HG GLU 43 10.721 5.358 -1.286 341 H PHE 44 H PHE 44 7.357 2.711 -1.756 342 HA PHE 44 HA PHE 44 4.882 2.757 -0.408 343 HB2 PHE 44 2HB PHE 44 5.107 2.855 -2.876 344 HB3 PHE 44 3HB PHE 44 5.739 1.216 -2.906 345 HD1 PHE 44 HD1 PHE 44 2.666 3.011 -1.618 346 HD2 PHE 44 HD2 PHE 44 4.238 -0.422 -3.629 347 HE1 PHE 44 HE1 PHE 44 0.379 2.183 -2.010 348 HE2 PHE 44 HE2 PHE 44 1.955 -1.242 -4.004 349 HZ PHE 44 HZ PHE 44 0.025 0.055 -3.203 350 H GLU 45 H GLU 45 7.216 0.144 -1.033 351 HA GLU 45 HA GLU 45 5.851 -2.014 0.134 352 HB2 GLU 45 2HB GLU 45 8.856 -1.547 -0.018 353 HB3 GLU 45 3HB GLU 45 8.079 -3.097 0.314 354 HG2 GLU 45 2HG GLU 45 7.014 -3.030 -1.908 355 HG3 GLU 45 3HG GLU 45 7.819 -1.500 -2.241 356 H ARG 46 H ARG 46 8.473 -0.033 1.598 357 HA ARG 46 HA ARG 46 8.426 -1.479 4.034 358 HB2 ARG 46 2HB ARG 46 10.032 0.188 4.866 359 HB3 ARG 46 3HB ARG 46 10.453 -0.376 3.253 360 HG2 ARG 46 2HG ARG 46 9.549 1.704 2.287 361 HG3 ARG 46 3HG ARG 46 9.135 2.280 3.906 362 HD2 ARG 46 2HD ARG 46 11.944 1.625 2.943 363 HD3 ARG 46 3HD ARG 46 11.253 3.244 3.032 364 HE ARG 46 HE ARG 46 11.763 1.513 5.389 365 HH11 ARG 46 1HH1 ARG 46 11.648 4.740 3.947 366 HH12 ARG 46 2HH1 ARG 46 12.174 5.522 5.406 367 HH21 ARG 46 1HH2 ARG 46 12.451 2.581 7.268 368 HH22 ARG 46 2HH2 ARG 46 12.626 4.308 7.267 369 H ASP 47 H ASP 47 6.987 1.646 3.118 370 HA ASP 47 HA ASP 47 5.915 2.276 5.643 371 HB2 ASP 47 2HB ASP 47 5.223 3.183 2.836 372 HB3 ASP 47 3HB ASP 47 4.303 3.753 4.222 373 H MET 48 H MET 48 4.382 0.542 2.860 374 HA MET 48 HA MET 48 1.903 0.055 4.177 375 HB2 MET 48 2HB MET 48 3.250 -1.467 1.919 376 HB3 MET 48 3HB MET 48 1.694 -1.971 2.575 377 HG2 MET 48 2HG MET 48 2.306 0.695 1.282 378 HG3 MET 48 3HG MET 48 1.373 -0.627 0.573 379 HE1 MET 48 3HE MET 48 -1.392 2.089 1.212 380 HE2 MET 48 1HE MET 48 -0.576 1.084 0.015 381 HE3 MET 48 2HE MET 48 0.279 2.434 0.763 382 H GLU 49 H GLU 49 4.960 -1.696 4.265 383 HA GLU 49 HA GLU 49 4.068 -3.912 5.851 384 HB2 GLU 49 2HB GLU 49 6.884 -2.818 5.394 385 HB3 GLU 49 3HB GLU 49 6.522 -4.332 6.226 386 HG2 GLU 49 2HG GLU 49 5.475 -5.219 4.185 387 HG3 GLU 49 3HG GLU 49 5.809 -3.706 3.351 388 H ASP 50 H ASP 50 5.561 -0.783 6.574 389 HA ASP 50 HA ASP 50 6.027 -1.032 9.333 390 HB2 ASP 50 2HB ASP 50 6.937 0.845 8.050 391 HB3 ASP 50 3HB ASP 50 5.329 1.398 7.616 392 H LEU 51 H LEU 51 3.307 0.317 7.556 393 HA LEU 51 HA LEU 51 1.474 0.791 9.580 394 HB2 LEU 51 2HB LEU 51 1.293 1.603 7.241 395 HB3 LEU 51 3HB LEU 51 1.003 -0.038 6.691 396 HG LEU 51 HG LEU 51 -1.144 -0.054 8.026 397 HD11 LEU 51 1HD1 LEU 51 -0.603 1.633 9.696 398 HD12 LEU 51 2HD1 LEU 51 -2.072 2.063 8.826 399 HD13 LEU 51 3HD1 LEU 51 -0.557 2.887 8.451 400 HD21 LEU 51 3HD2 LEU 51 -0.916 2.128 5.933 401 HD22 LEU 51 1HD2 LEU 51 -2.411 1.349 6.460 402 HD23 LEU 51 2HD2 LEU 51 -1.176 0.408 5.626 403 H ALA 52 H ALA 52 1.880 -2.119 7.510 404 HA ALA 52 HA ALA 52 -0.293 -3.611 8.412 405 HB1 ALA 52 3HB ALA 52 2.343 -4.679 7.355 406 HB2 ALA 52 1HB ALA 52 0.984 -4.128 6.374 407 HB3 ALA 52 2HB ALA 52 0.804 -5.549 7.405 408 H LYS 53 H LYS 53 3.094 -3.808 9.548 409 HA LYS 53 HA LYS 53 2.728 -5.792 11.504 410 HB2 LYS 53 2HB LYS 53 4.855 -3.711 11.019 411 HB3 LYS 53 3HB LYS 53 4.834 -4.497 12.587 412 HG2 LYS 53 2HG LYS 53 6.356 -5.808 11.454 413 HG3 LYS 53 3HG LYS 53 4.882 -6.733 11.211 414 HD2 LYS 53 2HD LYS 53 5.850 -4.749 9.138 415 HD3 LYS 53 3HD LYS 53 6.523 -6.374 9.215 416 HE2 LYS 53 2HE LYS 53 3.584 -5.729 8.803 417 HE3 LYS 53 3HE LYS 53 4.723 -6.148 7.527 418 HZ1 LYS 53 3HZ LYS 53 3.925 -7.910 9.782 419 HZ2 LYS 53 1HZ LYS 53 5.035 -8.310 8.572 420 HZ3 LYS 53 2HZ LYS 53 3.412 -8.050 8.177 421 H LYS 54 H LYS 54 2.712 -2.250 11.787 422 HA LYS 54 HA LYS 54 2.225 -2.106 14.575 423 HB2 LYS 54 2HB LYS 54 1.990 -0.118 12.295 424 HB3 LYS 54 3HB LYS 54 1.606 0.345 13.951 425 HG2 LYS 54 2HG LYS 54 3.841 0.093 14.686 426 HG3 LYS 54 3HG LYS 54 4.290 -0.905 13.300 427 HD2 LYS 54 2HD LYS 54 5.251 1.384 13.180 428 HD3 LYS 54 3HD LYS 54 4.192 1.018 11.818 429 HE2 LYS 54 2HE LYS 54 2.365 2.298 12.972 430 HE3 LYS 54 3HE LYS 54 3.526 2.741 14.228 431 HZ1 LYS 54 3HZ LYS 54 3.801 3.380 11.336 432 HZ2 LYS 54 1HZ LYS 54 4.870 3.837 12.563 433 HZ3 LYS 54 2HZ LYS 54 3.303 4.461 12.534 434 H THR 55 H THR 55 0.040 -2.599 11.903 435 HA THR 55 HA THR 55 -2.336 -2.029 13.567 436 HB THR 55 HB THR 55 -3.638 -2.330 11.442 437 HG1 THR 55 HG1 THR 55 -1.475 -2.080 9.777 438 HG21 THR 55 3HG2 THR 55 -2.939 -0.226 10.352 439 HG22 THR 55 1HG2 THR 55 -1.410 -0.267 11.233 440 HG23 THR 55 2HG2 THR 55 -2.930 -0.051 12.107 441 H GLY 56 H GLY 56 -0.349 -4.655 12.742 442 HA2 GLY 56 2HA GLY 56 -0.495 -6.809 13.548 443 HA3 GLY 56 3HA GLY 56 -2.137 -6.498 14.088 444 H VAL 57 H VAL 57 -1.373 -5.801 10.789 445 HA VAL 57 HA VAL 57 -2.746 -8.267 9.851 446 HB VAL 57 HB VAL 57 -3.690 -7.035 8.012 447 HG11 VAL 57 1HG1 VAL 57 -4.049 -5.402 10.546 448 HG12 VAL 57 2HG1 VAL 57 -4.932 -6.870 10.111 449 HG13 VAL 57 3HG1 VAL 57 -5.136 -5.404 9.151 450 HG21 VAL 57 3HG2 VAL 57 -3.341 -4.597 7.644 451 HG22 VAL 57 1HG2 VAL 57 -1.853 -5.527 7.440 452 HG23 VAL 57 2HG2 VAL 57 -2.112 -4.593 8.915 453 H GLN 58 H GLN 58 -2.207 -8.560 7.373 454 HA GLN 58 HA GLN 58 0.695 -8.192 6.900 455 HB2 GLN 58 2HB GLN 58 -1.052 -10.544 6.026 456 HB3 GLN 58 3HB GLN 58 0.648 -10.329 5.617 457 HG2 GLN 58 2HG GLN 58 -0.474 -10.747 8.401 458 HG3 GLN 58 3HG GLN 58 0.359 -11.956 7.428 459 HE21 GLN 58 1HE2 GLN 58 1.012 -10.892 10.084 460 HE22 GLN 58 2HE2 GLN 58 2.613 -10.255 9.983 461 H ILE 59 H ILE 59 1.217 -8.368 4.481 462 HA ILE 59 HA ILE 59 -0.900 -7.107 2.823 463 HB ILE 59 HB ILE 59 0.708 -5.727 1.690 464 HG12 ILE 59 2HG1 ILE 59 2.926 -7.032 3.343 465 HG13 ILE 59 3HG1 ILE 59 2.626 -7.320 1.634 466 HG21 ILE 59 1HG2 ILE 59 1.519 -4.244 3.474 467 HG22 ILE 59 2HG2 ILE 59 1.279 -5.524 4.665 468 HG23 ILE 59 3HG2 ILE 59 -0.110 -4.823 3.833 469 HD11 ILE 59 3HD1 ILE 59 3.460 -4.686 2.845 470 HD12 ILE 59 1HD1 ILE 59 3.163 -4.996 1.130 471 HD13 ILE 59 2HD1 ILE 59 4.486 -5.813 1.959 472 H GLN 60 H GLN 60 -0.343 -7.338 0.423 473 HA GLN 60 HA GLN 60 0.991 -9.889 -0.228 474 HB2 GLN 60 2HB GLN 60 -1.457 -10.299 -0.048 475 HB3 GLN 60 3HB GLN 60 -1.778 -9.007 -1.199 476 HG2 GLN 60 2HG GLN 60 -1.981 -11.150 -2.313 477 HG3 GLN 60 3HG GLN 60 -0.571 -10.303 -2.947 478 HE21 GLN 60 1HE2 GLN 60 -1.653 -12.988 -0.975 479 HE22 GLN 60 2HE2 GLN 60 -0.145 -13.830 -0.945 480 H LYS 61 H LYS 61 2.720 -9.021 -1.305 481 HA LYS 61 HA LYS 61 2.455 -6.761 -3.117 482 HB2 LYS 61 2HB LYS 61 4.845 -8.564 -2.527 483 HB3 LYS 61 3HB LYS 61 4.897 -7.120 -3.535 484 HG2 LYS 61 2HG LYS 61 4.279 -5.742 -1.559 485 HG3 LYS 61 3HG LYS 61 4.308 -7.200 -0.557 486 HD2 LYS 61 2HD LYS 61 6.718 -7.520 -1.129 487 HD3 LYS 61 3HD LYS 61 6.680 -6.040 -2.091 488 HE2 LYS 61 2HE LYS 61 6.198 -4.729 -0.078 489 HE3 LYS 61 3HE LYS 61 6.155 -6.202 0.894 490 HZ1 LYS 61 3HZ LYS 61 8.475 -6.571 0.424 491 HZ2 LYS 61 1HZ LYS 61 8.273 -5.017 1.061 492 HZ3 LYS 61 2HZ LYS 61 8.535 -5.217 -0.593 493 H GLN 62 H GLN 62 1.689 -7.077 -5.106 494 HA GLN 62 HA GLN 62 2.358 -9.489 -6.670 495 HB2 GLN 62 2HB GLN 62 -0.062 -9.449 -6.100 496 HB3 GLN 62 3HB GLN 62 -0.208 -7.809 -6.723 497 HG2 GLN 62 2HG GLN 62 0.397 -8.664 -9.000 498 HG3 GLN 62 3HG GLN 62 0.428 -10.299 -8.342 499 HE21 GLN 62 1HE2 GLN 62 -1.181 -10.935 -9.792 500 HE22 GLN 62 2HE2 GLN 62 -2.834 -10.468 -9.618 501 H TRP 63 H TRP 63 3.682 -8.937 -8.295 502 HA TRP 63 HA TRP 63 3.919 -6.161 -9.229 503 HB2 TRP 63 2HB TRP 63 5.613 -8.659 -9.671 504 HB3 TRP 63 3HB TRP 63 5.927 -7.128 -10.485 505 HD1 TRP 63 HD1 TRP 63 6.112 -8.726 -6.966 506 HE1 TRP 63 HE1 TRP 63 7.665 -7.266 -5.522 507 HE3 TRP 63 HE3 TRP 63 6.776 -4.789 -10.181 508 HZ2 TRP 63 HZ2 TRP 63 8.991 -4.791 -5.711 509 HZ3 TRP 63 HZ3 TRP 63 8.199 -2.907 -9.466 510 HH2 TRP 63 HH2 TRP 63 9.281 -2.917 -7.275 511 H GLN 64 H GLN 64 3.282 -5.527 -11.233 512 HA GLN 64 HA GLN 64 2.941 -7.495 -13.393 513 HB2 GLN 64 2HB GLN 64 0.666 -6.890 -12.677 514 HB3 GLN 64 3HB GLN 64 1.059 -5.175 -12.703 515 HG2 GLN 64 2HG GLN 64 -0.295 -5.822 -14.654 516 HG3 GLN 64 3HG GLN 64 1.291 -5.232 -15.137 517 HE21 GLN 64 1HE2 GLN 64 -0.776 -8.032 -14.917 518 HE22 GLN 64 2HE2 GLN 64 0.161 -9.058 -15.947 519 H GLY 65 H GLY 65 4.855 -7.011 -14.380 520 HA2 GLY 65 2HA GLY 65 6.585 -5.848 -15.353 521 HA3 GLY 65 3HA GLY 65 5.455 -4.518 -15.604 522 H ASN 66 H ASN 66 6.513 -2.746 -14.840 523 HA ASN 66 HA ASN 66 7.920 -2.801 -12.258 524 HB2 ASN 66 2HB ASN 66 7.738 -0.639 -14.406 525 HB3 ASN 66 3HB ASN 66 8.603 -0.447 -12.882 526 HD21 ASN 66 1HD2 ASN 66 10.558 -0.118 -13.964 527 HD22 ASN 66 2HD2 ASN 66 11.413 -1.403 -14.742 528 H LYS 67 H LYS 67 4.866 -2.919 -12.595 529 HA LYS 67 HA LYS 67 4.132 -0.612 -10.904 530 HB2 LYS 67 2HB LYS 67 2.422 -2.511 -12.588 531 HB3 LYS 67 3HB LYS 67 1.736 -1.375 -11.430 532 HG2 LYS 67 2HG LYS 67 3.438 -0.561 -13.808 533 HG3 LYS 67 3HG LYS 67 1.669 -0.584 -13.805 534 HD2 LYS 67 2HD LYS 67 1.598 1.114 -12.050 535 HD3 LYS 67 3HD LYS 67 3.353 1.053 -11.865 536 HE2 LYS 67 2HE LYS 67 1.916 1.965 -14.380 537 HE3 LYS 67 3HE LYS 67 2.582 3.035 -13.144 538 HZ1 LYS 67 3HZ LYS 67 4.774 1.998 -13.580 539 HZ2 LYS 67 1HZ LYS 67 4.149 2.841 -14.907 540 HZ3 LYS 67 2HZ LYS 67 4.087 1.158 -14.874 541 H LEU 68 H LEU 68 4.094 -1.096 -8.809 542 HA LEU 68 HA LEU 68 3.800 -3.894 -7.928 543 HB2 LEU 68 2HB LEU 68 5.758 -2.779 -7.038 544 HB3 LEU 68 3HB LEU 68 4.788 -1.434 -6.453 545 HG LEU 68 HG LEU 68 3.674 -2.937 -4.807 546 HD11 LEU 68 1HD1 LEU 68 3.800 -5.057 -6.010 547 HD12 LEU 68 2HD1 LEU 68 4.482 -5.207 -4.394 548 HD13 LEU 68 3HD1 LEU 68 5.552 -5.100 -5.796 549 HD21 LEU 68 3HD2 LEU 68 5.554 -3.219 -3.297 550 HD22 LEU 68 1HD2 LEU 68 5.659 -1.680 -4.151 551 HD23 LEU 68 2HD2 LEU 68 6.689 -3.030 -4.638 552 H ARG 69 H ARG 69 1.834 -4.479 -7.470 553 HA ARG 69 HA ARG 69 -0.165 -2.671 -6.307 554 HB2 ARG 69 2HB ARG 69 -0.786 -4.010 -8.323 555 HB3 ARG 69 3HB ARG 69 -0.448 -5.489 -7.428 556 HG2 ARG 69 2HG ARG 69 -2.262 -4.813 -5.798 557 HG3 ARG 69 3HG ARG 69 -2.646 -3.471 -6.880 558 HD2 ARG 69 2HD ARG 69 -2.783 -6.421 -7.565 559 HD3 ARG 69 3HD ARG 69 -4.152 -5.360 -7.240 560 HE ARG 69 HE ARG 69 -2.401 -4.627 -9.460 561 HH11 ARG 69 1HH1 ARG 69 -5.457 -6.101 -8.467 562 HH12 ARG 69 2HH1 ARG 69 -6.151 -5.982 -10.054 563 HH21 ARG 69 1HH2 ARG 69 -3.327 -4.506 -11.511 564 HH22 ARG 69 2HH2 ARG 69 -4.945 -5.082 -11.772 565 H ILE 70 H ILE 70 -0.069 -2.654 -4.102 566 HA ILE 70 HA ILE 70 0.531 -5.170 -2.649 567 HB ILE 70 HB ILE 70 0.773 -2.277 -1.723 568 HG12 ILE 70 2HG1 ILE 70 2.795 -4.547 -2.013 569 HG13 ILE 70 3HG1 ILE 70 2.711 -3.081 -2.982 570 HG21 ILE 70 1HG2 ILE 70 -0.261 -3.555 0.105 571 HG22 ILE 70 2HG2 ILE 70 1.402 -3.135 0.515 572 HG23 ILE 70 3HG2 ILE 70 1.012 -4.773 -0.009 573 HD11 ILE 70 3HD1 ILE 70 3.444 -3.241 -0.058 574 HD12 ILE 70 1HD1 ILE 70 3.313 -1.756 -1.007 575 HD13 ILE 70 2HD1 ILE 70 4.532 -2.960 -1.419 576 H ARG 71 H ARG 71 -1.212 -6.187 -1.978 577 HA ARG 71 HA ARG 71 -3.739 -4.766 -1.592 578 HB2 ARG 71 2HB ARG 71 -3.726 -6.798 -3.026 579 HB3 ARG 71 3HB ARG 71 -3.179 -7.760 -1.654 580 HG2 ARG 71 2HG ARG 71 -5.265 -7.300 -0.455 581 HG3 ARG 71 3HG ARG 71 -5.798 -6.228 -1.752 582 HD2 ARG 71 2HD ARG 71 -5.808 -8.155 -3.313 583 HD3 ARG 71 3HD ARG 71 -5.329 -9.213 -1.978 584 HE ARG 71 HE ARG 71 -7.474 -8.427 -0.874 585 HH11 ARG 71 1HH1 ARG 71 -7.192 -8.488 -4.381 586 HH12 ARG 71 2HH1 ARG 71 -8.894 -8.714 -4.631 587 HH21 ARG 71 1HH2 ARG 71 -9.699 -8.739 -1.218 588 HH22 ARG 71 2HH2 ARG 71 -10.315 -8.855 -2.836 589 H LEU 72 H LEU 72 -4.527 -4.426 0.343 590 HA LEU 72 HA LEU 72 -3.034 -5.219 2.763 591 HB2 LEU 72 2HB LEU 72 -4.945 -2.882 2.323 592 HB3 LEU 72 3HB LEU 72 -3.940 -3.151 3.742 593 HG LEU 72 HG LEU 72 -2.797 -2.606 0.973 594 HD11 LEU 72 1HD1 LEU 72 -3.269 -0.618 3.199 595 HD12 LEU 72 2HD1 LEU 72 -4.148 -0.702 1.669 596 HD13 LEU 72 3HD1 LEU 72 -2.432 -0.310 1.673 597 HD21 LEU 72 3HD2 LEU 72 -1.244 -3.732 2.475 598 HD22 LEU 72 1HD2 LEU 72 -1.515 -2.505 3.717 599 HD23 LEU 72 2HD2 LEU 72 -0.736 -2.070 2.191 600 H LYS 73 H LYS 73 -4.141 -6.351 4.297 601 HA LYS 73 HA LYS 73 -7.074 -6.729 3.975 602 HB2 LYS 73 2HB LYS 73 -6.742 -8.851 5.228 603 HB3 LYS 73 3HB LYS 73 -5.812 -8.795 3.738 604 HG2 LYS 73 2HG LYS 73 -3.874 -7.947 5.391 605 HG3 LYS 73 3HG LYS 73 -4.853 -8.801 6.586 606 HD2 LYS 73 2HD LYS 73 -3.146 -10.314 5.734 607 HD3 LYS 73 3HD LYS 73 -4.722 -10.865 5.154 608 HE2 LYS 73 2HE LYS 73 -4.246 -9.670 2.976 609 HE3 LYS 73 3HE LYS 73 -2.627 -9.320 3.581 610 HZ1 LYS 73 3HZ LYS 73 -2.154 -11.663 3.670 611 HZ2 LYS 73 1HZ LYS 73 -2.725 -11.281 2.126 612 HZ3 LYS 73 2HZ LYS 73 -3.736 -12.056 3.230 613 H GLY 74 H GLY 74 -8.408 -6.524 5.814 614 HA2 GLY 74 2HA GLY 74 -7.504 -4.623 7.802 615 HA3 GLY 74 3HA GLY 74 -9.125 -5.275 7.623 616 H SER 75 H SER 75 -7.792 -8.050 7.573 617 HA SER 75 HA SER 75 -6.540 -8.575 10.067 618 HB2 SER 75 2HB SER 75 -8.848 -8.059 10.923 619 HB3 SER 75 3HB SER 75 -9.502 -9.345 9.909 620 HG SER 75 HG SER 75 -8.983 -10.700 11.425 621 H LEU 76 H LEU 76 -6.749 -11.056 10.524 622 HA LEU 76 HA LEU 76 -7.217 -12.717 8.121 623 HB2 LEU 76 2HB LEU 76 -4.839 -12.772 10.017 624 HB3 LEU 76 3HB LEU 76 -5.312 -14.216 9.141 625 HG LEU 76 HG LEU 76 -4.561 -11.600 7.779 626 HD11 LEU 76 1HD1 LEU 76 -2.420 -12.651 7.225 627 HD12 LEU 76 2HD1 LEU 76 -2.836 -14.054 8.215 628 HD13 LEU 76 3HD1 LEU 76 -2.618 -12.471 8.967 629 HD21 LEU 76 3HD2 LEU 76 -6.037 -13.013 6.439 630 HD22 LEU 76 1HD2 LEU 76 -4.969 -14.400 6.671 631 HD23 LEU 76 2HD2 LEU 76 -4.416 -12.995 5.752 632 H GLU 77 H GLU 77 -7.101 -15.181 9.144 633 HA GLU 77 HA GLU 77 -9.185 -15.403 11.135 634 HB2 GLU 77 2HB GLU 77 -7.342 -17.615 10.091 635 HB3 GLU 77 3HB GLU 77 -8.842 -17.837 10.980 636 HG2 GLU 77 2HG GLU 77 -9.384 -18.340 8.747 637 HG3 GLU 77 3HG GLU 77 -10.029 -16.721 9.013 638 H HIS 78 H HIS 78 -8.835 -16.731 13.129 639 HA HIS 78 HA HIS 78 -6.693 -15.715 14.716 640 HB2 HIS 78 2HB HIS 78 -8.938 -16.233 15.653 641 HB3 HIS 78 3HB HIS 78 -8.687 -17.942 15.329 642 HD1 HIS 78 HD1 HIS 78 -7.645 -19.275 17.155 643 HD2 HIS 78 HD2 HIS 78 -7.109 -15.191 17.682 644 HE1 HIS 78 HE1 HIS 78 -6.540 -19.013 19.395 645 HE2 HIS 78 HE2 HIS 78 -6.455 -16.534 19.765 646 H HIS 79 H HIS 79 -4.868 -16.388 13.501 647 HA HIS 79 HA HIS 79 -4.175 -19.241 13.336 648 HB2 HIS 79 2HB HIS 79 -2.647 -16.785 12.362 649 HB3 HIS 79 3HB HIS 79 -2.223 -18.457 12.020 650 HD1 HIS 79 HD1 HIS 79 -3.651 -15.717 10.386 651 HD2 HIS 79 HD2 HIS 79 -4.692 -19.732 10.626 652 HE1 HIS 79 HE1 HIS 79 -5.069 -16.164 8.369 653 HE2 HIS 79 HE2 HIS 79 -5.821 -18.554 8.628 654 H HIS 80 H HIS 80 -4.003 -16.931 15.671 655 HA HIS 80 HA HIS 80 -1.240 -16.979 16.387 656 HB2 HIS 80 2HB HIS 80 -2.708 -15.011 16.814 657 HB3 HIS 80 3HB HIS 80 -3.601 -15.954 18.005 658 HD1 HIS 80 HD1 HIS 80 -2.888 -15.310 20.299 659 HD2 HIS 80 HD2 HIS 80 0.272 -15.142 17.603 660 HE1 HIS 80 HE1 HIS 80 -0.877 -14.646 21.645 661 HE2 HIS 80 HE2 HIS 80 1.030 -14.622 20.011 662 H HIS 81 H HIS 81 -0.548 -18.966 16.881 663 HA HIS 81 HA HIS 81 -1.500 -20.193 19.410 664 HB2 HIS 81 2HB HIS 81 -0.039 -21.456 17.043 665 HB3 HIS 81 3HB HIS 81 -0.277 -22.272 18.580 666 HD1 HIS 81 HD1 HIS 81 -2.443 -23.505 18.896 667 HD2 HIS 81 HD2 HIS 81 -2.546 -20.989 15.587 668 HE1 HIS 81 HE1 HIS 81 -4.582 -24.042 17.702 669 HE2 HIS 81 HE2 HIS 81 -4.540 -22.625 15.623 670 H HIS 82 H HIS 82 0.423 -21.219 20.649 671 HA HIS 82 HA HIS 82 3.040 -20.037 20.220 672 HB2 HIS 82 2HB HIS 82 3.229 -18.868 22.348 673 HB3 HIS 82 3HB HIS 82 1.847 -18.217 21.474 674 HD1 HIS 82 HD1 HIS 82 -0.555 -19.187 22.326 675 HD2 HIS 82 HD2 HIS 82 2.662 -19.632 24.921 676 HE1 HIS 82 HE1 HIS 82 -1.562 -19.588 24.586 677 HE2 HIS 82 HE2 HIS 82 0.400 -19.701 26.160 678 H HIS 83 H HIS 83 4.671 -20.981 21.503 679 HA HIS 83 HA HIS 83 4.118 -23.145 23.329 680 HB2 HIS 83 2HB HIS 83 3.782 -24.157 20.993 681 HB3 HIS 83 3HB HIS 83 5.483 -23.853 20.691 682 HD1 HIS 83 HD1 HIS 83 3.364 -26.513 21.538 683 HD2 HIS 83 HD2 HIS 83 7.075 -25.279 22.964 684 HE1 HIS 83 HE1 HIS 83 4.362 -28.523 22.667 685 HE2 HIS 83 HE2 HIS 83 6.671 -27.799 23.335 Start of MODEL 7 1 H1 MET 1 1H MET 1 -20.147 -5.741 0.065 2 H2 MET 1 2H MET 1 -21.717 -5.602 0.678 3 H3 MET 1 3H MET 1 -20.391 -5.487 1.716 4 HA MET 1 HA MET 1 -21.002 -3.605 -0.473 5 HB2 MET 1 2HB MET 1 -21.551 -1.983 1.381 6 HB3 MET 1 3HB MET 1 -22.687 -3.309 1.207 7 HG2 MET 1 2HG MET 1 -20.492 -3.254 3.276 8 HG3 MET 1 3HG MET 1 -22.140 -2.698 3.557 9 HE1 MET 1 3HE MET 1 -24.192 -6.063 3.146 10 HE2 MET 1 1HE MET 1 -23.870 -4.876 1.882 11 HE3 MET 1 2HE MET 1 -24.301 -4.340 3.507 12 H GLY 2 H GLY 2 -18.806 -4.646 2.078 13 HA2 GLY 2 2HA GLY 2 -16.940 -2.446 1.712 14 HA3 GLY 2 3HA GLY 2 -16.709 -3.866 2.721 15 H LEU 3 H LEU 3 -16.953 -2.945 -0.713 16 HA LEU 3 HA LEU 3 -15.654 -5.254 -1.737 17 HB2 LEU 3 2HB LEU 3 -15.650 -4.178 -3.907 18 HB3 LEU 3 3HB LEU 3 -17.203 -3.932 -3.143 19 HG LEU 3 HG LEU 3 -15.063 -1.765 -3.183 20 HD11 LEU 3 1HD1 LEU 3 -15.562 -2.369 -5.516 21 HD12 LEU 3 2HD1 LEU 3 -16.186 -0.770 -5.128 22 HD13 LEU 3 3HD1 LEU 3 -17.289 -2.145 -5.223 23 HD21 LEU 3 3HD2 LEU 3 -18.072 -1.576 -2.779 24 HD22 LEU 3 1HD2 LEU 3 -16.938 -0.220 -2.810 25 HD23 LEU 3 2HD2 LEU 3 -16.843 -1.417 -1.521 26 H THR 4 H THR 4 -13.560 -5.642 -2.271 27 HA THR 4 HA THR 4 -11.485 -3.891 -1.259 28 HB THR 4 HB THR 4 -11.162 -6.451 -2.897 29 HG1 THR 4 HG1 THR 4 -12.016 -6.050 -0.343 30 HG21 THR 4 3HG2 THR 4 -9.236 -5.044 -1.002 31 HG22 THR 4 1HG2 THR 4 -9.086 -5.098 -2.761 32 HG23 THR 4 2HG2 THR 4 -8.941 -6.581 -1.815 33 H ARG 5 H ARG 5 -12.009 -2.058 -2.522 34 HA ARG 5 HA ARG 5 -11.920 -1.942 -5.367 35 HB2 ARG 5 2HB ARG 5 -11.827 0.538 -5.050 36 HB3 ARG 5 3HB ARG 5 -13.118 -0.218 -4.123 37 HG2 ARG 5 2HG ARG 5 -11.840 -0.020 -2.066 38 HG3 ARG 5 3HG ARG 5 -10.435 0.572 -2.954 39 HD2 ARG 5 2HD ARG 5 -13.104 2.012 -2.736 40 HD3 ARG 5 3HD ARG 5 -11.642 2.393 -1.818 41 HE ARG 5 HE ARG 5 -11.244 2.428 -4.667 42 HH11 ARG 5 1HH1 ARG 5 -12.288 4.417 -1.940 43 HH12 ARG 5 2HH1 ARG 5 -11.926 5.910 -2.754 44 HH21 ARG 5 1HH2 ARG 5 -10.763 4.386 -5.686 45 HH22 ARG 5 2HH2 ARG 5 -11.062 5.889 -4.864 46 H THR 6 H THR 6 -10.279 -0.716 -6.636 47 HA THR 6 HA THR 6 -7.541 -1.400 -5.727 48 HB THR 6 HB THR 6 -8.569 -1.554 -8.601 49 HG1 THR 6 HG1 THR 6 -8.084 -3.672 -6.746 50 HG21 THR 6 3HG2 THR 6 -6.493 -2.788 -9.039 51 HG22 THR 6 1HG2 THR 6 -5.988 -2.568 -7.358 52 HG23 THR 6 2HG2 THR 6 -6.139 -1.172 -8.428 53 H ILE 7 H ILE 7 -6.522 0.459 -5.357 54 HA ILE 7 HA ILE 7 -7.427 2.950 -6.658 55 HB ILE 7 HB ILE 7 -5.842 2.543 -4.074 56 HG12 ILE 7 2HG1 ILE 7 -8.790 3.245 -4.474 57 HG13 ILE 7 3HG1 ILE 7 -8.173 1.686 -3.938 58 HG21 ILE 7 1HG2 ILE 7 -5.343 4.728 -5.108 59 HG22 ILE 7 2HG2 ILE 7 -6.271 4.933 -3.626 60 HG23 ILE 7 3HG2 ILE 7 -7.067 5.102 -5.192 61 HD11 ILE 7 3HD1 ILE 7 -7.316 2.706 -1.909 62 HD12 ILE 7 1HD1 ILE 7 -9.046 2.977 -2.103 63 HD13 ILE 7 2HD1 ILE 7 -7.912 4.284 -2.439 64 H THR 8 H THR 8 -6.142 3.783 -8.204 65 HA THR 8 HA THR 8 -3.307 2.954 -8.417 66 HB THR 8 HB THR 8 -3.537 3.858 -10.804 67 HG1 THR 8 HG1 THR 8 -5.393 5.161 -10.446 68 HG21 THR 8 3HG2 THR 8 -4.791 1.909 -11.666 69 HG22 THR 8 1HG2 THR 8 -5.422 1.593 -10.048 70 HG23 THR 8 2HG2 THR 8 -3.694 1.431 -10.370 71 H SER 9 H SER 9 -2.050 4.407 -7.360 72 HA SER 9 HA SER 9 -2.317 7.272 -8.031 73 HB2 SER 9 2HB SER 9 -1.818 6.268 -5.203 74 HB3 SER 9 3HB SER 9 -1.974 7.945 -5.712 75 HG SER 9 HG SER 9 -4.144 6.909 -6.561 76 H GLN 10 H GLN 10 -0.427 8.395 -8.103 77 HA GLN 10 HA GLN 10 2.066 6.894 -8.379 78 HB2 GLN 10 2HB GLN 10 1.455 9.837 -8.904 79 HB3 GLN 10 3HB GLN 10 2.911 8.974 -9.399 80 HG2 GLN 10 2HG GLN 10 1.570 7.545 -10.884 81 HG3 GLN 10 3HG GLN 10 0.106 8.379 -10.379 82 HE21 GLN 10 1HE2 GLN 10 3.051 8.659 -12.240 83 HE22 GLN 10 2HE2 GLN 10 2.585 10.056 -13.143 84 H ASN 11 H ASN 11 0.518 8.500 -5.864 85 HA ASN 11 HA ASN 11 3.058 9.197 -4.501 86 HB2 ASN 11 2HB ASN 11 1.553 11.151 -4.936 87 HB3 ASN 11 3HB ASN 11 0.273 10.359 -4.036 88 HD21 ASN 11 1HD2 ASN 11 1.758 12.938 -3.627 89 HD22 ASN 11 2HD2 ASN 11 2.309 12.872 -1.994 90 H LYS 12 H LYS 12 3.569 7.751 -3.040 91 HA LYS 12 HA LYS 12 1.884 5.630 -2.215 92 HB2 LYS 12 2HB LYS 12 3.810 4.891 -0.804 93 HB3 LYS 12 3HB LYS 12 4.227 5.222 -2.475 94 HG2 LYS 12 2HG LYS 12 6.019 6.224 -1.490 95 HG3 LYS 12 3HG LYS 12 4.920 7.600 -1.472 96 HD2 LYS 12 2HD LYS 12 4.327 7.043 0.895 97 HD3 LYS 12 3HD LYS 12 5.495 5.717 0.847 98 HE2 LYS 12 2HE LYS 12 7.276 7.415 0.306 99 HE3 LYS 12 3HE LYS 12 6.083 8.682 0.581 100 HZ1 LYS 12 3HZ LYS 12 7.032 6.693 2.576 101 HZ2 LYS 12 1HZ LYS 12 5.831 7.848 2.860 102 HZ3 LYS 12 2HZ LYS 12 7.416 8.338 2.544 103 H GLU 13 H GLU 13 2.496 8.750 -0.735 104 HA GLU 13 HA GLU 13 1.885 8.073 1.968 105 HB2 GLU 13 2HB GLU 13 1.784 10.777 0.570 106 HB3 GLU 13 3HB GLU 13 1.713 10.535 2.316 107 HG2 GLU 13 2HG GLU 13 3.981 9.478 2.211 108 HG3 GLU 13 3HG GLU 13 4.044 9.875 0.495 109 H GLU 14 H GLU 14 -0.093 9.561 -0.632 110 HA GLU 14 HA GLU 14 -2.460 9.837 0.935 111 HB2 GLU 14 2HB GLU 14 -3.649 10.154 -1.230 112 HB3 GLU 14 3HB GLU 14 -2.212 11.157 -1.096 113 HG2 GLU 14 2HG GLU 14 -0.985 9.474 -2.503 114 HG3 GLU 14 3HG GLU 14 -2.508 8.612 -2.699 115 H LEU 15 H LEU 15 -1.146 7.221 -0.983 116 HA LEU 15 HA LEU 15 -3.311 5.419 -0.842 117 HB2 LEU 15 2HB LEU 15 -0.318 4.951 -1.101 118 HB3 LEU 15 3HB LEU 15 -1.484 3.636 -1.155 119 HG LEU 15 HG LEU 15 -1.438 5.974 -3.106 120 HD11 LEU 15 1HD1 LEU 15 -0.599 4.389 -4.776 121 HD12 LEU 15 2HD1 LEU 15 -0.501 3.122 -3.550 122 HD13 LEU 15 3HD1 LEU 15 0.529 4.550 -3.429 123 HD21 LEU 15 3HD2 LEU 15 -3.093 3.431 -3.119 124 HD22 LEU 15 1HD2 LEU 15 -3.064 4.656 -4.391 125 HD23 LEU 15 2HD2 LEU 15 -3.681 5.063 -2.794 126 H LEU 16 H LEU 16 -0.803 6.256 1.499 127 HA LEU 16 HA LEU 16 -1.307 4.093 3.354 128 HB2 LEU 16 2HB LEU 16 0.039 6.789 3.834 129 HB3 LEU 16 3HB LEU 16 0.056 5.440 4.963 130 HG LEU 16 HG LEU 16 1.277 5.340 2.191 131 HD11 LEU 16 1HD1 LEU 16 2.678 5.778 4.834 132 HD12 LEU 16 2HD1 LEU 16 2.392 7.009 3.600 133 HD13 LEU 16 3HD1 LEU 16 3.433 5.636 3.243 134 HD21 LEU 16 3HD2 LEU 16 2.410 3.324 2.967 135 HD22 LEU 16 1HD2 LEU 16 0.660 3.131 3.059 136 HD23 LEU 16 2HD2 LEU 16 1.590 3.436 4.527 137 H GLU 17 H GLU 17 -2.417 7.425 3.013 138 HA GLU 17 HA GLU 17 -3.828 7.682 5.451 139 HB2 GLU 17 2HB GLU 17 -4.355 9.081 2.792 140 HB3 GLU 17 3HB GLU 17 -4.980 9.593 4.357 141 HG2 GLU 17 2HG GLU 17 -2.682 9.991 5.154 142 HG3 GLU 17 3HG GLU 17 -2.051 9.486 3.586 143 H ILE 18 H ILE 18 -4.930 6.744 2.193 144 HA ILE 18 HA ILE 18 -7.636 6.169 2.963 145 HB ILE 18 HB ILE 18 -6.133 5.180 0.482 146 HG12 ILE 18 2HG1 ILE 18 -7.863 7.693 0.778 147 HG13 ILE 18 3HG1 ILE 18 -6.107 7.688 0.681 148 HG21 ILE 18 1HG2 ILE 18 -9.119 5.409 1.038 149 HG22 ILE 18 2HG2 ILE 18 -8.192 3.914 0.890 150 HG23 ILE 18 3HG2 ILE 18 -8.407 4.962 -0.511 151 HD11 ILE 18 3HD1 ILE 18 -6.230 6.762 -1.576 152 HD12 ILE 18 1HD1 ILE 18 -7.082 8.298 -1.434 153 HD13 ILE 18 2HD1 ILE 18 -7.994 6.791 -1.488 154 H ALA 19 H ALA 19 -4.654 4.290 2.664 155 HA ALA 19 HA ALA 19 -5.539 1.682 2.980 156 HB1 ALA 19 3HB ALA 19 -3.207 2.211 2.524 157 HB2 ALA 19 1HB ALA 19 -3.309 1.219 3.974 158 HB3 ALA 19 2HB ALA 19 -3.029 2.956 4.113 159 H LEU 20 H LEU 20 -4.461 3.890 5.537 160 HA LEU 20 HA LEU 20 -5.083 2.216 7.721 161 HB2 LEU 20 2HB LEU 20 -3.404 4.049 7.771 162 HB3 LEU 20 3HB LEU 20 -4.694 5.234 7.629 163 HG LEU 20 HG LEU 20 -5.568 4.569 9.851 164 HD11 LEU 20 1HD1 LEU 20 -3.219 2.666 10.001 165 HD12 LEU 20 2HD1 LEU 20 -4.924 2.222 9.881 166 HD13 LEU 20 3HD1 LEU 20 -4.333 3.054 11.315 167 HD21 LEU 20 3HD2 LEU 20 -3.757 5.500 11.229 168 HD22 LEU 20 1HD2 LEU 20 -3.952 6.403 9.727 169 HD23 LEU 20 2HD2 LEU 20 -2.612 5.267 9.905 170 H LYS 21 H LYS 21 -6.960 4.594 5.959 171 HA LYS 21 HA LYS 21 -9.195 4.944 7.616 172 HB2 LYS 21 2HB LYS 21 -8.868 6.264 5.575 173 HB3 LYS 21 3HB LYS 21 -8.969 4.823 4.575 174 HG2 LYS 21 2HG LYS 21 -11.363 4.571 5.233 175 HG3 LYS 21 3HG LYS 21 -11.244 6.082 6.145 176 HD2 LYS 21 2HD LYS 21 -10.690 7.307 4.064 177 HD3 LYS 21 3HD LYS 21 -10.753 5.798 3.148 178 HE2 LYS 21 2HE LYS 21 -12.802 7.066 2.822 179 HE3 LYS 21 3HE LYS 21 -13.162 5.583 3.708 180 HZ1 LYS 21 3HZ LYS 21 -12.832 8.282 4.920 181 HZ2 LYS 21 1HZ LYS 21 -13.203 6.861 5.758 182 HZ3 LYS 21 2HZ LYS 21 -14.305 7.497 4.649 183 H PHE 22 H PHE 22 -8.494 2.407 5.187 184 HA PHE 22 HA PHE 22 -10.984 0.981 5.661 185 HB2 PHE 22 2HB PHE 22 -8.576 0.464 3.884 186 HB3 PHE 22 3HB PHE 22 -9.778 -0.796 4.133 187 HD1 PHE 22 HD1 PHE 22 -9.343 2.689 2.852 188 HD2 PHE 22 HD2 PHE 22 -11.859 -0.761 2.940 189 HE1 PHE 22 HE1 PHE 22 -10.747 3.669 1.089 190 HE2 PHE 22 HE2 PHE 22 -13.255 0.223 1.172 191 HZ PHE 22 HZ PHE 22 -12.705 2.436 0.246 192 H ILE 23 H ILE 23 -7.614 0.633 6.726 193 HA ILE 23 HA ILE 23 -7.840 -2.049 7.703 194 HB ILE 23 HB ILE 23 -5.766 0.120 8.331 195 HG12 ILE 23 2HG1 ILE 23 -5.804 -0.551 5.946 196 HG13 ILE 23 3HG1 ILE 23 -4.314 -1.067 6.718 197 HG21 ILE 23 1HG2 ILE 23 -4.309 -1.702 9.157 198 HG22 ILE 23 2HG2 ILE 23 -5.629 -2.857 8.959 199 HG23 ILE 23 3HG2 ILE 23 -5.772 -1.545 10.131 200 HD11 ILE 23 3HD1 ILE 23 -5.200 -3.366 6.851 201 HD12 ILE 23 1HD1 ILE 23 -5.145 -2.751 5.201 202 HD13 ILE 23 2HD1 ILE 23 -6.683 -2.826 6.053 203 H SER 24 H SER 24 -8.090 1.178 9.200 204 HA SER 24 HA SER 24 -8.550 0.381 11.862 205 HB2 SER 24 2HB SER 24 -8.024 2.709 11.199 206 HB3 SER 24 3HB SER 24 -9.617 2.862 10.454 207 HG SER 24 HG SER 24 -8.962 2.531 13.193 208 H GLN 25 H GLN 25 -10.651 0.258 9.113 209 HA GLN 25 HA GLN 25 -13.076 -0.246 10.709 210 HB2 GLN 25 2HB GLN 25 -12.708 -0.128 7.683 211 HB3 GLN 25 3HB GLN 25 -14.247 -0.261 8.533 212 HG2 GLN 25 2HG GLN 25 -13.927 1.965 9.513 213 HG3 GLN 25 3HG GLN 25 -12.351 2.087 8.722 214 HE21 GLN 25 1HE2 GLN 25 -12.286 2.358 6.428 215 HE22 GLN 25 2HE2 GLN 25 -13.663 2.921 5.548 216 H GLY 26 H GLY 26 -10.482 -2.001 9.496 217 HA2 GLY 26 2HA GLY 26 -10.025 -4.256 9.492 218 HA3 GLY 26 3HA GLY 26 -11.667 -4.567 10.036 219 H LEU 27 H LEU 27 -11.253 -2.647 7.249 220 HA LEU 27 HA LEU 27 -12.532 -4.645 5.526 221 HB2 LEU 27 2HB LEU 27 -11.920 -1.697 5.016 222 HB3 LEU 27 3HB LEU 27 -12.812 -2.744 3.924 223 HG LEU 27 HG LEU 27 -13.714 -1.908 6.701 224 HD11 LEU 27 1HD1 LEU 27 -13.792 -0.046 5.128 225 HD12 LEU 27 2HD1 LEU 27 -15.419 -0.572 5.545 226 HD13 LEU 27 3HD1 LEU 27 -14.726 -1.013 3.983 227 HD21 LEU 27 3HD2 LEU 27 -15.181 -3.575 4.634 228 HD22 LEU 27 1HD2 LEU 27 -15.857 -2.978 6.153 229 HD23 LEU 27 2HD2 LEU 27 -14.539 -4.144 6.177 230 H ASP 28 H ASP 28 -11.574 -5.526 3.739 231 HA ASP 28 HA ASP 28 -8.724 -5.355 3.371 232 HB2 ASP 28 2HB ASP 28 -10.820 -6.692 1.594 233 HB3 ASP 28 3HB ASP 28 -9.077 -6.924 1.480 234 H LEU 29 H LEU 29 -7.627 -4.347 1.720 235 HA LEU 29 HA LEU 29 -9.081 -2.624 -0.174 236 HB2 LEU 29 2HB LEU 29 -8.518 -1.197 1.821 237 HB3 LEU 29 3HB LEU 29 -6.825 -1.638 1.650 238 HG LEU 29 HG LEU 29 -6.765 -0.517 -0.579 239 HD11 LEU 29 1HD1 LEU 29 -9.102 -0.757 -1.224 240 HD12 LEU 29 2HD1 LEU 29 -8.596 0.925 -1.299 241 HD13 LEU 29 3HD1 LEU 29 -9.592 0.369 0.047 242 HD21 LEU 29 3HD2 LEU 29 -7.703 1.286 1.673 243 HD22 LEU 29 1HD2 LEU 29 -6.820 1.798 0.230 244 HD23 LEU 29 2HD2 LEU 29 -6.051 0.728 1.399 245 H GLU 30 H GLU 30 -7.967 -2.382 -2.135 246 HA GLU 30 HA GLU 30 -5.253 -3.583 -2.318 247 HB2 GLU 30 2HB GLU 30 -7.043 -4.941 -3.446 248 HB3 GLU 30 3HB GLU 30 -7.430 -3.556 -4.468 249 HG2 GLU 30 2HG GLU 30 -5.291 -3.644 -5.549 250 HG3 GLU 30 3HG GLU 30 -4.679 -4.837 -4.398 251 H VAL 31 H VAL 31 -3.770 -2.134 -2.850 252 HA VAL 31 HA VAL 31 -4.501 0.326 -4.335 253 HB VAL 31 HB VAL 31 -2.628 1.481 -3.021 254 HG11 VAL 31 1HG1 VAL 31 -4.051 1.995 -1.066 255 HG12 VAL 31 2HG1 VAL 31 -5.078 0.606 -1.438 256 HG13 VAL 31 3HG1 VAL 31 -4.985 1.966 -2.563 257 HG21 VAL 31 3HG2 VAL 31 -1.490 -0.487 -2.100 258 HG22 VAL 31 1HG2 VAL 31 -2.921 -0.913 -1.159 259 HG23 VAL 31 2HG2 VAL 31 -2.029 0.567 -0.795 260 H GLU 32 H GLU 32 -3.525 0.368 -6.224 261 HA GLU 32 HA GLU 32 -1.025 -1.119 -6.684 262 HB2 GLU 32 2HB GLU 32 -2.925 -1.721 -8.163 263 HB3 GLU 32 3HB GLU 32 -3.055 -0.046 -8.699 264 HG2 GLU 32 2HG GLU 32 -0.837 -0.162 -9.727 265 HG3 GLU 32 3HG GLU 32 -0.595 -1.789 -9.094 266 H PHE 33 H PHE 33 0.733 0.039 -6.673 267 HA PHE 33 HA PHE 33 0.717 2.922 -6.682 268 HB2 PHE 33 2HB PHE 33 2.166 1.514 -5.166 269 HB3 PHE 33 3HB PHE 33 3.081 0.995 -6.575 270 HD1 PHE 33 HD1 PHE 33 1.846 4.276 -5.202 271 HD2 PHE 33 HD2 PHE 33 5.164 2.046 -6.704 272 HE1 PHE 33 HE1 PHE 33 3.301 6.226 -4.884 273 HE2 PHE 33 HE2 PHE 33 6.609 3.999 -6.386 274 HZ PHE 33 HZ PHE 33 5.684 6.093 -5.481 275 H ASP 34 H ASP 34 0.574 3.928 -8.570 276 HA ASP 34 HA ASP 34 1.401 2.749 -11.081 277 HB2 ASP 34 2HB ASP 34 -0.696 4.064 -10.956 278 HB3 ASP 34 3HB ASP 34 0.210 5.488 -10.451 279 H SER 35 H SER 35 3.614 2.543 -10.737 280 HA SER 35 HA SER 35 5.171 4.765 -11.672 281 HB2 SER 35 2HB SER 35 5.123 5.232 -9.201 282 HB3 SER 35 3HB SER 35 5.859 3.659 -8.908 283 HG SER 35 HG SER 35 7.074 5.947 -9.416 284 H THR 36 H THR 36 7.363 4.177 -12.064 285 HA THR 36 HA THR 36 8.047 1.311 -12.225 286 HB THR 36 HB THR 36 9.034 1.800 -14.542 287 HG1 THR 36 HG1 THR 36 7.570 4.211 -14.141 288 HG21 THR 36 3HG2 THR 36 6.012 2.077 -14.324 289 HG22 THR 36 1HG2 THR 36 6.908 0.558 -14.382 290 HG23 THR 36 2HG2 THR 36 6.901 1.632 -15.781 291 H ASP 37 H ASP 37 8.769 3.936 -10.707 292 HA ASP 37 HA ASP 37 11.694 3.992 -11.146 293 HB2 ASP 37 2HB ASP 37 10.582 6.194 -11.217 294 HB3 ASP 37 3HB ASP 37 9.881 5.922 -9.624 295 H ASP 38 H ASP 38 12.911 2.908 -9.778 296 HA ASP 38 HA ASP 38 11.929 1.208 -7.817 297 HB2 ASP 38 2HB ASP 38 14.816 2.162 -8.111 298 HB3 ASP 38 3HB ASP 38 14.284 0.725 -7.236 299 H LYS 39 H LYS 39 13.300 4.452 -7.416 300 HA LYS 39 HA LYS 39 13.709 4.341 -4.602 301 HB2 LYS 39 2HB LYS 39 13.162 6.828 -6.275 302 HB3 LYS 39 3HB LYS 39 13.809 6.817 -4.646 303 HG2 LYS 39 2HG LYS 39 15.162 5.877 -7.174 304 HG3 LYS 39 3HG LYS 39 15.587 7.264 -6.182 305 HD2 LYS 39 2HD LYS 39 17.201 5.839 -5.383 306 HD3 LYS 39 3HD LYS 39 15.908 5.278 -4.323 307 HE2 LYS 39 2HE LYS 39 15.405 3.491 -6.053 308 HE3 LYS 39 3HE LYS 39 16.854 4.011 -6.918 309 HZ1 LYS 39 3HZ LYS 39 16.790 2.982 -4.125 310 HZ2 LYS 39 1HZ LYS 39 18.173 3.468 -4.972 311 HZ3 LYS 39 2HZ LYS 39 17.305 2.119 -5.486 312 H GLU 40 H GLU 40 11.020 5.591 -6.562 313 HA GLU 40 HA GLU 40 9.251 6.380 -4.514 314 HB2 GLU 40 2HB GLU 40 8.643 5.318 -7.311 315 HB3 GLU 40 3HB GLU 40 7.490 6.157 -6.288 316 HG2 GLU 40 2HG GLU 40 10.058 7.380 -7.308 317 HG3 GLU 40 3HG GLU 40 8.495 7.555 -8.100 318 H ILE 41 H ILE 41 9.699 3.278 -6.166 319 HA ILE 41 HA ILE 41 7.490 1.869 -5.111 320 HB ILE 41 HB ILE 41 10.120 0.875 -6.300 321 HG12 ILE 41 2HG1 ILE 41 7.316 0.976 -7.522 322 HG13 ILE 41 3HG1 ILE 41 8.582 2.156 -7.833 323 HG21 ILE 41 1HG2 ILE 41 9.105 -1.345 -6.520 324 HG22 ILE 41 2HG2 ILE 41 7.664 -0.796 -5.671 325 HG23 ILE 41 3HG2 ILE 41 9.211 -0.877 -4.824 326 HD11 ILE 41 3HD1 ILE 41 8.404 0.605 -9.660 327 HD12 ILE 41 1HD1 ILE 41 8.654 -0.765 -8.577 328 HD13 ILE 41 2HD1 ILE 41 9.955 0.397 -8.851 329 H GLU 42 H GLU 42 10.907 2.090 -4.028 330 HA GLU 42 HA GLU 42 10.838 0.153 -1.984 331 HB2 GLU 42 2HB GLU 42 12.557 2.661 -2.240 332 HB3 GLU 42 3HB GLU 42 12.814 1.427 -1.010 333 HG2 GLU 42 2HG GLU 42 13.321 -0.235 -2.715 334 HG3 GLU 42 3HG GLU 42 12.959 0.927 -3.992 335 H GLU 43 H GLU 43 10.135 3.609 -1.985 336 HA GLU 43 HA GLU 43 9.592 3.983 0.752 337 HB2 GLU 43 2HB GLU 43 8.413 5.439 -1.649 338 HB3 GLU 43 3HB GLU 43 8.348 6.001 0.018 339 HG2 GLU 43 2HG GLU 43 10.786 6.196 0.079 340 HG3 GLU 43 3HG GLU 43 10.887 5.592 -1.576 341 H PHE 44 H PHE 44 7.464 3.055 -1.962 342 HA PHE 44 HA PHE 44 5.018 3.063 -0.544 343 HB2 PHE 44 2HB PHE 44 5.119 3.067 -3.007 344 HB3 PHE 44 3HB PHE 44 5.850 1.466 -3.008 345 HD1 PHE 44 HD1 PHE 44 2.766 3.165 -1.642 346 HD2 PHE 44 HD2 PHE 44 4.399 -0.308 -3.524 347 HE1 PHE 44 HE1 PHE 44 0.518 2.189 -1.807 348 HE2 PHE 44 HE2 PHE 44 2.143 -1.275 -3.682 349 HZ PHE 44 HZ PHE 44 0.199 -0.031 -2.826 350 H GLU 45 H GLU 45 7.440 0.534 -1.110 351 HA GLU 45 HA GLU 45 6.107 -1.635 0.084 352 HB2 GLU 45 2HB GLU 45 9.100 -1.137 -0.235 353 HB3 GLU 45 3HB GLU 45 8.383 -2.680 0.226 354 HG2 GLU 45 2HG GLU 45 7.170 -2.761 -1.921 355 HG3 GLU 45 3HG GLU 45 7.917 -1.236 -2.395 356 H ARG 46 H ARG 46 8.776 0.346 1.473 357 HA ARG 46 HA ARG 46 8.826 -0.898 3.976 358 HB2 ARG 46 2HB ARG 46 10.126 1.079 4.774 359 HB3 ARG 46 3HB ARG 46 10.712 0.460 3.237 360 HG2 ARG 46 2HG ARG 46 9.617 2.290 2.041 361 HG3 ARG 46 3HG ARG 46 8.915 2.879 3.544 362 HD2 ARG 46 2HD ARG 46 11.908 2.715 3.061 363 HD3 ARG 46 3HD ARG 46 10.937 4.153 2.729 364 HE ARG 46 HE ARG 46 10.414 3.405 5.354 365 HH11 ARG 46 1HH1 ARG 46 13.198 4.565 3.525 366 HH12 ARG 46 2HH1 ARG 46 13.918 5.338 4.901 367 HH21 ARG 46 1HH2 ARG 46 11.332 4.463 7.116 368 HH22 ARG 46 2HH2 ARG 46 12.857 5.281 6.942 369 H ASP 47 H ASP 47 7.083 2.025 2.984 370 HA ASP 47 HA ASP 47 5.934 2.652 5.478 371 HB2 ASP 47 2HB ASP 47 5.281 3.402 2.621 372 HB3 ASP 47 3HB ASP 47 4.233 3.925 3.931 373 H MET 48 H MET 48 4.590 0.702 2.760 374 HA MET 48 HA MET 48 2.081 0.171 4.028 375 HB2 MET 48 2HB MET 48 3.531 -1.187 1.729 376 HB3 MET 48 3HB MET 48 2.033 -1.866 2.368 377 HG2 MET 48 2HG MET 48 2.358 0.925 1.244 378 HG3 MET 48 3HG MET 48 1.605 -0.444 0.421 379 HE1 MET 48 3HE MET 48 -1.427 1.974 1.315 380 HE2 MET 48 1HE MET 48 -0.489 1.249 0.008 381 HE3 MET 48 2HE MET 48 0.216 2.530 0.997 382 H GLU 49 H GLU 49 5.170 -1.529 4.075 383 HA GLU 49 HA GLU 49 4.361 -3.827 5.536 384 HB2 GLU 49 2HB GLU 49 7.114 -2.507 5.301 385 HB3 GLU 49 3HB GLU 49 6.829 -4.076 6.051 386 HG2 GLU 49 2HG GLU 49 6.012 -4.981 3.933 387 HG3 GLU 49 3HG GLU 49 6.192 -3.404 3.172 388 H ASP 50 H ASP 50 5.801 -0.749 6.524 389 HA ASP 50 HA ASP 50 5.996 -1.023 9.282 390 HB2 ASP 50 2HB ASP 50 6.953 0.905 8.130 391 HB3 ASP 50 3HB ASP 50 5.373 1.433 7.562 392 H LEU 51 H LEU 51 3.332 0.309 7.366 393 HA LEU 51 HA LEU 51 1.553 0.917 9.427 394 HB2 LEU 51 2HB LEU 51 1.400 1.792 7.087 395 HB3 LEU 51 3HB LEU 51 0.941 0.191 6.528 396 HG LEU 51 HG LEU 51 -1.138 0.340 7.927 397 HD11 LEU 51 1HD1 LEU 51 -0.270 3.199 8.449 398 HD12 LEU 51 2HD1 LEU 51 -0.390 1.899 9.642 399 HD13 LEU 51 3HD1 LEU 51 -1.842 2.499 8.847 400 HD21 LEU 51 3HD2 LEU 51 -1.208 0.888 5.538 401 HD22 LEU 51 1HD2 LEU 51 -0.804 2.571 5.891 402 HD23 LEU 51 2HD2 LEU 51 -2.336 1.892 6.445 403 H ALA 52 H ALA 52 1.656 -1.918 7.247 404 HA ALA 52 HA ALA 52 -0.588 -3.272 8.164 405 HB1 ALA 52 3HB ALA 52 0.561 -3.811 6.063 406 HB2 ALA 52 1HB ALA 52 0.340 -5.250 7.054 407 HB3 ALA 52 2HB ALA 52 1.925 -4.474 6.964 408 H LYS 53 H LYS 53 2.815 -3.881 9.039 409 HA LYS 53 HA LYS 53 2.457 -5.983 10.836 410 HB2 LYS 53 2HB LYS 53 4.613 -3.834 10.711 411 HB3 LYS 53 3HB LYS 53 4.719 -5.238 11.769 412 HG2 LYS 53 2HG LYS 53 4.952 -6.750 9.944 413 HG3 LYS 53 3HG LYS 53 4.381 -5.554 8.774 414 HD2 LYS 53 2HD LYS 53 6.837 -5.898 8.610 415 HD3 LYS 53 3HD LYS 53 6.431 -4.241 9.049 416 HE2 LYS 53 2HE LYS 53 6.923 -4.804 11.437 417 HE3 LYS 53 3HE LYS 53 7.434 -6.411 10.914 418 HZ1 LYS 53 3HZ LYS 53 9.139 -5.358 9.533 419 HZ2 LYS 53 1HZ LYS 53 9.332 -4.959 11.163 420 HZ3 LYS 53 2HZ LYS 53 8.673 -3.833 10.090 421 H LYS 54 H LYS 54 2.661 -2.500 11.476 422 HA LYS 54 HA LYS 54 2.403 -2.690 14.322 423 HB2 LYS 54 2HB LYS 54 2.346 -0.408 12.325 424 HB3 LYS 54 3HB LYS 54 2.098 -0.121 14.045 425 HG2 LYS 54 2HG LYS 54 4.304 -0.774 14.611 426 HG3 LYS 54 3HG LYS 54 4.549 -1.630 13.086 427 HD2 LYS 54 2HD LYS 54 5.821 0.504 13.192 428 HD3 LYS 54 3HD LYS 54 4.666 0.469 11.861 429 HE2 LYS 54 2HE LYS 54 3.091 1.803 13.298 430 HE3 LYS 54 3HE LYS 54 4.378 1.937 14.494 431 HZ1 LYS 54 3HZ LYS 54 4.580 2.881 11.685 432 HZ2 LYS 54 1HZ LYS 54 5.737 3.083 12.894 433 HZ3 LYS 54 2HZ LYS 54 4.254 3.878 13.008 434 H THR 55 H THR 55 0.039 -2.518 11.750 435 HA THR 55 HA THR 55 -2.148 -1.865 13.606 436 HB THR 55 HB THR 55 -3.638 -2.050 11.608 437 HG1 THR 55 HG1 THR 55 -1.314 -2.272 10.008 438 HG21 THR 55 3HG2 THR 55 -2.664 0.151 12.159 439 HG22 THR 55 1HG2 THR 55 -2.847 -0.044 10.416 440 HG23 THR 55 2HG2 THR 55 -1.257 -0.214 11.158 441 H GLY 56 H GLY 56 -0.448 -4.621 12.629 442 HA2 GLY 56 2HA GLY 56 -0.730 -6.787 13.398 443 HA3 GLY 56 3HA GLY 56 -2.344 -6.383 13.958 444 H VAL 57 H VAL 57 -1.627 -5.592 10.668 445 HA VAL 57 HA VAL 57 -2.896 -8.081 9.659 446 HB VAL 57 HB VAL 57 -3.741 -6.877 7.730 447 HG11 VAL 57 1HG1 VAL 57 -5.433 -5.411 8.739 448 HG12 VAL 57 2HG1 VAL 57 -4.514 -5.376 10.249 449 HG13 VAL 57 3HG1 VAL 57 -5.210 -6.892 9.671 450 HG21 VAL 57 3HG2 VAL 57 -1.996 -5.228 7.375 451 HG22 VAL 57 1HG2 VAL 57 -2.468 -4.355 8.835 452 HG23 VAL 57 2HG2 VAL 57 -3.564 -4.425 7.452 453 H GLN 58 H GLN 58 -2.139 -8.445 7.244 454 HA GLN 58 HA GLN 58 0.735 -7.739 6.923 455 HB2 GLN 58 2HB GLN 58 -0.704 -10.196 5.838 456 HB3 GLN 58 3HB GLN 58 0.976 -9.789 5.544 457 HG2 GLN 58 2HG GLN 58 1.488 -10.086 7.921 458 HG3 GLN 58 3HG GLN 58 -0.203 -10.456 8.251 459 HE21 GLN 58 1HE2 GLN 58 2.161 -12.118 8.689 460 HE22 GLN 58 2HE2 GLN 58 1.899 -13.572 7.799 461 H ILE 59 H ILE 59 1.397 -7.830 4.549 462 HA ILE 59 HA ILE 59 -0.674 -6.623 2.796 463 HB ILE 59 HB ILE 59 1.134 -5.570 1.530 464 HG12 ILE 59 2HG1 ILE 59 3.063 -6.865 3.513 465 HG13 ILE 59 3HG1 ILE 59 2.909 -7.263 1.803 466 HG21 ILE 59 1HG2 ILE 59 1.528 -5.012 4.485 467 HG22 ILE 59 2HG2 ILE 59 0.214 -4.376 3.501 468 HG23 ILE 59 3HG2 ILE 59 1.876 -3.909 3.150 469 HD11 ILE 59 3HD1 ILE 59 3.860 -4.637 2.941 470 HD12 ILE 59 1HD1 ILE 59 3.658 -4.998 1.221 471 HD13 ILE 59 2HD1 ILE 59 4.844 -5.887 2.177 472 H GLN 60 H GLN 60 -0.153 -7.013 0.432 473 HA GLN 60 HA GLN 60 1.051 -9.632 -0.182 474 HB2 GLN 60 2HB GLN 60 -1.504 -9.783 0.104 475 HB3 GLN 60 3HB GLN 60 -1.666 -8.722 -1.280 476 HG2 GLN 60 2HG GLN 60 -0.307 -11.430 -1.386 477 HG3 GLN 60 3HG GLN 60 -2.012 -11.173 -1.730 478 HE21 GLN 60 1HE2 GLN 60 1.214 -10.867 -2.941 479 HE22 GLN 60 2HE2 GLN 60 0.788 -10.390 -4.543 480 H LYS 61 H LYS 61 2.797 -8.724 -1.235 481 HA LYS 61 HA LYS 61 2.540 -6.517 -3.099 482 HB2 LYS 61 2HB LYS 61 4.926 -8.342 -2.519 483 HB3 LYS 61 3HB LYS 61 4.978 -6.897 -3.524 484 HG2 LYS 61 2HG LYS 61 4.340 -5.529 -1.522 485 HG3 LYS 61 3HG LYS 61 4.423 -6.994 -0.541 486 HD2 LYS 61 2HD LYS 61 6.826 -7.237 -1.099 487 HD3 LYS 61 3HD LYS 61 6.742 -5.788 -2.104 488 HE2 LYS 61 2HE LYS 61 6.238 -4.419 -0.138 489 HE3 LYS 61 3HE LYS 61 6.223 -5.858 0.885 490 HZ1 LYS 61 3HZ LYS 61 8.323 -4.670 1.050 491 HZ2 LYS 61 1HZ LYS 61 8.577 -4.836 -0.616 492 HZ3 LYS 61 2HZ LYS 61 8.564 -6.201 0.377 493 H GLN 62 H GLN 62 1.869 -6.786 -5.121 494 HA GLN 62 HA GLN 62 2.355 -9.302 -6.597 495 HB2 GLN 62 2HB GLN 62 -0.006 -9.293 -5.904 496 HB3 GLN 62 3HB GLN 62 -0.218 -7.655 -6.499 497 HG2 GLN 62 2HG GLN 62 -1.264 -9.144 -8.046 498 HG3 GLN 62 3HG GLN 62 0.175 -8.506 -8.832 499 HE21 GLN 62 1HE2 GLN 62 -1.321 -10.897 -9.481 500 HE22 GLN 62 2HE2 GLN 62 -0.221 -12.225 -9.366 501 H TRP 63 H TRP 63 3.997 -8.520 -7.826 502 HA TRP 63 HA TRP 63 4.013 -5.999 -9.161 503 HB2 TRP 63 2HB TRP 63 5.625 -8.553 -9.562 504 HB3 TRP 63 3HB TRP 63 5.909 -7.077 -10.489 505 HD1 TRP 63 HD1 TRP 63 6.280 -8.469 -6.902 506 HE1 TRP 63 HE1 TRP 63 7.844 -6.897 -5.597 507 HE3 TRP 63 HE3 TRP 63 6.732 -4.721 -10.354 508 HZ2 TRP 63 HZ2 TRP 63 9.108 -4.405 -5.986 509 HZ3 TRP 63 HZ3 TRP 63 8.135 -2.774 -9.813 510 HH2 TRP 63 HH2 TRP 63 9.296 -2.628 -7.675 511 H GLN 64 H GLN 64 2.677 -5.452 -10.738 512 HA GLN 64 HA GLN 64 1.595 -7.492 -12.591 513 HB2 GLN 64 2HB GLN 64 -0.003 -6.662 -10.696 514 HB3 GLN 64 3HB GLN 64 0.011 -5.104 -11.514 515 HG2 GLN 64 2HG GLN 64 -1.967 -6.276 -12.199 516 HG3 GLN 64 3HG GLN 64 -0.867 -6.259 -13.578 517 HE21 GLN 64 1HE2 GLN 64 -1.751 -8.084 -14.551 518 HE22 GLN 64 2HE2 GLN 64 -1.623 -9.668 -13.876 519 H GLY 65 H GLY 65 3.308 -6.818 -14.014 520 HA2 GLY 65 2HA GLY 65 4.153 -5.668 -15.809 521 HA3 GLY 65 3HA GLY 65 2.679 -4.715 -15.830 522 H ASN 66 H ASN 66 5.233 -5.086 -13.399 523 HA ASN 66 HA ASN 66 6.740 -3.748 -12.413 524 HB2 ASN 66 2HB ASN 66 6.103 -1.711 -14.592 525 HB3 ASN 66 3HB ASN 66 7.360 -1.485 -13.376 526 HD21 ASN 66 1HD2 ASN 66 7.496 -1.732 -16.329 527 HD22 ASN 66 2HD2 ASN 66 8.623 -3.002 -16.634 528 H LYS 67 H LYS 67 3.547 -2.407 -12.998 529 HA LYS 67 HA LYS 67 3.429 -0.558 -10.876 530 HB2 LYS 67 2HB LYS 67 1.100 -2.297 -11.784 531 HB3 LYS 67 3HB LYS 67 1.031 -0.677 -11.107 532 HG2 LYS 67 2HG LYS 67 2.154 -1.384 -13.822 533 HG3 LYS 67 3HG LYS 67 0.526 -0.776 -13.533 534 HD2 LYS 67 2HD LYS 67 1.447 1.353 -12.713 535 HD3 LYS 67 3HD LYS 67 3.093 0.735 -12.912 536 HE2 LYS 67 2HE LYS 67 2.757 0.540 -15.331 537 HE3 LYS 67 3HE LYS 67 1.081 1.079 -15.166 538 HZ1 LYS 67 3HZ LYS 67 3.450 2.719 -14.421 539 HZ2 LYS 67 1HZ LYS 67 1.840 3.221 -14.438 540 HZ3 LYS 67 2HZ LYS 67 2.623 2.854 -15.885 541 H LEU 68 H LEU 68 3.709 -1.018 -8.734 542 HA LEU 68 HA LEU 68 3.587 -3.791 -7.832 543 HB2 LEU 68 2HB LEU 68 5.499 -2.442 -7.114 544 HB3 LEU 68 3HB LEU 68 4.428 -1.258 -6.377 545 HG LEU 68 HG LEU 68 3.714 -2.886 -4.681 546 HD11 LEU 68 1HD1 LEU 68 3.803 -4.958 -5.951 547 HD12 LEU 68 2HD1 LEU 68 4.740 -5.106 -4.468 548 HD13 LEU 68 3HD1 LEU 68 5.567 -4.882 -6.011 549 HD21 LEU 68 3HD2 LEU 68 5.807 -3.097 -3.432 550 HD22 LEU 68 1HD2 LEU 68 5.684 -1.518 -4.208 551 HD23 LEU 68 2HD2 LEU 68 6.734 -2.761 -4.897 552 H ARG 69 H ARG 69 1.495 -4.326 -7.799 553 HA ARG 69 HA ARG 69 -0.547 -2.773 -6.440 554 HB2 ARG 69 2HB ARG 69 -1.035 -4.018 -8.528 555 HB3 ARG 69 3HB ARG 69 -0.575 -5.531 -7.755 556 HG2 ARG 69 2HG ARG 69 -2.492 -5.313 -6.202 557 HG3 ARG 69 3HG ARG 69 -2.954 -3.801 -6.992 558 HD2 ARG 69 2HD ARG 69 -2.825 -6.522 -8.353 559 HD3 ARG 69 3HD ARG 69 -4.295 -5.731 -7.783 560 HE ARG 69 HE ARG 69 -2.581 -4.466 -9.833 561 HH11 ARG 69 1HH1 ARG 69 -5.755 -5.703 -8.893 562 HH12 ARG 69 2HH1 ARG 69 -6.538 -5.086 -10.318 563 HH21 ARG 69 1HH2 ARG 69 -3.626 -3.647 -11.661 564 HH22 ARG 69 2HH2 ARG 69 -5.329 -3.916 -11.883 565 H ILE 70 H ILE 70 -0.357 -2.773 -4.256 566 HA ILE 70 HA ILE 70 0.238 -5.288 -2.811 567 HB ILE 70 HB ILE 70 0.566 -2.382 -1.929 568 HG12 ILE 70 2HG1 ILE 70 2.516 -4.723 -2.192 569 HG13 ILE 70 3HG1 ILE 70 2.482 -3.257 -3.161 570 HG21 ILE 70 1HG2 ILE 70 1.192 -3.188 0.325 571 HG22 ILE 70 2HG2 ILE 70 0.738 -4.830 -0.134 572 HG23 ILE 70 3HG2 ILE 70 -0.489 -3.566 -0.056 573 HD11 ILE 70 3HD1 ILE 70 4.315 -3.176 -1.626 574 HD12 ILE 70 1HD1 ILE 70 3.249 -3.465 -0.251 575 HD13 ILE 70 2HD1 ILE 70 3.130 -1.955 -1.160 576 H ARG 71 H ARG 71 -1.527 -6.309 -2.146 577 HA ARG 71 HA ARG 71 -3.967 -4.823 -1.455 578 HB2 ARG 71 2HB ARG 71 -4.144 -6.875 -2.906 579 HB3 ARG 71 3HB ARG 71 -3.543 -7.853 -1.566 580 HG2 ARG 71 2HG ARG 71 -5.509 -7.075 -0.200 581 HG3 ARG 71 3HG ARG 71 -6.126 -6.241 -1.631 582 HD2 ARG 71 2HD ARG 71 -7.275 -8.343 -1.434 583 HD3 ARG 71 3HD ARG 71 -6.172 -8.468 -2.804 584 HE ARG 71 HE ARG 71 -4.705 -9.823 -1.447 585 HH11 ARG 71 1HH1 ARG 71 -7.907 -9.306 -0.061 586 HH12 ARG 71 2HH1 ARG 71 -7.811 -10.693 0.977 587 HH21 ARG 71 1HH2 ARG 71 -4.633 -11.672 -0.109 588 HH22 ARG 71 2HH2 ARG 71 -5.963 -12.029 0.947 589 H LEU 72 H LEU 72 -4.454 -4.432 0.552 590 HA LEU 72 HA LEU 72 -2.863 -5.396 2.821 591 HB2 LEU 72 2HB LEU 72 -5.065 -3.291 2.727 592 HB3 LEU 72 3HB LEU 72 -3.916 -3.554 4.030 593 HG LEU 72 HG LEU 72 -3.193 -2.531 1.262 594 HD11 LEU 72 1HD1 LEU 72 -4.555 -0.924 2.462 595 HD12 LEU 72 2HD1 LEU 72 -2.893 -0.359 2.330 596 HD13 LEU 72 3HD1 LEU 72 -3.480 -1.020 3.860 597 HD21 LEU 72 3HD2 LEU 72 -1.328 -3.715 2.273 598 HD22 LEU 72 1HD2 LEU 72 -1.493 -2.769 3.755 599 HD23 LEU 72 2HD2 LEU 72 -1.011 -1.982 2.249 600 H LYS 73 H LYS 73 -3.705 -7.055 4.047 601 HA LYS 73 HA LYS 73 -6.453 -7.907 3.550 602 HB2 LYS 73 2HB LYS 73 -5.842 -9.969 4.709 603 HB3 LYS 73 3HB LYS 73 -4.711 -9.593 3.419 604 HG2 LYS 73 2HG LYS 73 -3.126 -8.683 5.148 605 HG3 LYS 73 3HG LYS 73 -4.241 -9.252 6.394 606 HD2 LYS 73 2HD LYS 73 -2.525 -10.907 6.152 607 HD3 LYS 73 3HD LYS 73 -3.993 -11.573 5.435 608 HE2 LYS 73 2HE LYS 73 -3.174 -11.054 3.207 609 HE3 LYS 73 3HE LYS 73 -1.760 -10.243 3.880 610 HZ1 LYS 73 3HZ LYS 73 -1.085 -12.390 4.844 611 HZ2 LYS 73 1HZ LYS 73 -1.185 -12.461 3.157 612 HZ3 LYS 73 2HZ LYS 73 -2.404 -13.143 4.107 613 H GLY 74 H GLY 74 -7.602 -6.361 4.571 614 HA2 GLY 74 2HA GLY 74 -7.535 -5.470 7.217 615 HA3 GLY 74 3HA GLY 74 -9.011 -5.643 6.263 616 H SER 75 H SER 75 -8.995 -8.361 5.830 617 HA SER 75 HA SER 75 -9.312 -9.635 8.470 618 HB2 SER 75 2HB SER 75 -11.254 -9.775 6.925 619 HB3 SER 75 3HB SER 75 -10.233 -10.507 5.683 620 HG SER 75 HG SER 75 -10.866 -11.602 8.242 621 H LEU 76 H LEU 76 -7.236 -10.227 9.039 622 HA LEU 76 HA LEU 76 -5.398 -11.469 7.157 623 HB2 LEU 76 2HB LEU 76 -4.811 -10.001 9.278 624 HB3 LEU 76 3HB LEU 76 -5.011 -11.483 10.189 625 HG LEU 76 HG LEU 76 -2.932 -10.970 8.008 626 HD11 LEU 76 1HD1 LEU 76 -1.280 -11.056 9.789 627 HD12 LEU 76 2HD1 LEU 76 -2.552 -11.282 10.994 628 HD13 LEU 76 3HD1 LEU 76 -2.457 -9.776 10.076 629 HD21 LEU 76 3HD2 LEU 76 -3.531 -13.340 7.945 630 HD22 LEU 76 1HD2 LEU 76 -3.259 -13.480 9.682 631 HD23 LEU 76 2HD2 LEU 76 -1.908 -13.130 8.599 632 H GLU 77 H GLU 77 -7.062 -12.508 10.144 633 HA GLU 77 HA GLU 77 -7.353 -15.253 9.226 634 HB2 GLU 77 2HB GLU 77 -5.994 -16.191 11.120 635 HB3 GLU 77 3HB GLU 77 -5.019 -15.285 9.967 636 HG2 GLU 77 2HG GLU 77 -5.075 -13.315 11.509 637 HG3 GLU 77 3HG GLU 77 -5.974 -14.291 12.672 638 H HIS 78 H HIS 78 -8.455 -16.591 10.780 639 HA HIS 78 HA HIS 78 -10.521 -15.350 12.313 640 HB2 HIS 78 2HB HIS 78 -11.218 -17.625 12.877 641 HB3 HIS 78 3HB HIS 78 -10.800 -17.561 11.169 642 HD1 HIS 78 HD1 HIS 78 -10.698 -19.987 13.478 643 HD2 HIS 78 HD2 HIS 78 -7.586 -18.255 11.348 644 HE1 HIS 78 HE1 HIS 78 -8.842 -21.672 13.507 645 HE2 HIS 78 HE2 HIS 78 -7.069 -20.688 12.031 646 H HIS 79 H HIS 79 -10.818 -15.460 14.634 647 HA HIS 79 HA HIS 79 -8.376 -14.962 16.082 648 HB2 HIS 79 2HB HIS 79 -10.391 -13.589 16.526 649 HB3 HIS 79 3HB HIS 79 -11.233 -15.007 17.152 650 HD1 HIS 79 HD1 HIS 79 -11.052 -15.302 19.626 651 HD2 HIS 79 HD2 HIS 79 -7.896 -13.061 18.117 652 HE1 HIS 79 HE1 HIS 79 -9.685 -14.644 21.617 653 HE2 HIS 79 HE2 HIS 79 -7.838 -13.216 20.695 654 H HIS 80 H HIS 80 -7.249 -16.857 16.182 655 HA HIS 80 HA HIS 80 -8.212 -19.140 17.718 656 HB2 HIS 80 2HB HIS 80 -5.963 -20.060 17.359 657 HB3 HIS 80 3HB HIS 80 -6.578 -19.428 15.839 658 HD1 HIS 80 HD1 HIS 80 -3.502 -19.682 17.392 659 HD2 HIS 80 HD2 HIS 80 -5.524 -16.445 15.762 660 HE1 HIS 80 HE1 HIS 80 -1.729 -18.001 16.804 661 HE2 HIS 80 HE2 HIS 80 -2.966 -16.125 15.682 662 H HIS 81 H HIS 81 -6.140 -19.722 19.468 663 HA HIS 81 HA HIS 81 -6.344 -17.873 21.637 664 HB2 HIS 81 2HB HIS 81 -4.349 -20.144 21.199 665 HB3 HIS 81 3HB HIS 81 -4.549 -19.268 22.715 666 HD1 HIS 81 HD1 HIS 81 -5.599 -22.278 21.110 667 HD2 HIS 81 HD2 HIS 81 -7.377 -19.555 23.694 668 HE1 HIS 81 HE1 HIS 81 -7.565 -23.482 22.098 669 HE2 HIS 81 HE2 HIS 81 -8.538 -21.864 23.762 670 H HIS 82 H HIS 82 -4.686 -16.512 22.512 671 HA HIS 82 HA HIS 82 -3.185 -15.066 20.528 672 HB2 HIS 82 2HB HIS 82 -2.627 -13.483 22.322 673 HB3 HIS 82 3HB HIS 82 -4.344 -13.843 22.330 674 HD1 HIS 82 HD1 HIS 82 -2.423 -12.751 24.703 675 HD2 HIS 82 HD2 HIS 82 -4.128 -16.516 24.355 676 HE1 HIS 82 HE1 HIS 82 -2.470 -13.683 27.031 677 HE2 HIS 82 HE2 HIS 82 -3.306 -16.028 26.752 678 H HIS 83 H HIS 83 -1.858 -16.838 19.860 679 HA HIS 83 HA HIS 83 0.675 -17.155 21.262 680 HB2 HIS 83 2HB HIS 83 -0.651 -18.923 22.334 681 HB3 HIS 83 3HB HIS 83 -1.242 -19.501 20.781 682 HD1 HIS 83 HD1 HIS 83 0.482 -20.815 19.282 683 HD2 HIS 83 HD2 HIS 83 1.823 -19.954 23.121 684 HE1 HIS 83 HE1 HIS 83 2.493 -22.284 19.641 685 HE2 HIS 83 HE2 HIS 83 3.301 -21.714 21.948 Start of MODEL 8 1 H1 MET 1 1H MET 1 -16.360 0.397 -1.276 2 H2 MET 1 2H MET 1 -16.592 0.120 0.371 3 H3 MET 1 3H MET 1 -16.862 1.660 -0.272 4 HA MET 1 HA MET 1 -18.912 0.548 0.174 5 HB2 MET 1 2HB MET 1 -19.925 0.773 -2.151 6 HB3 MET 1 3HB MET 1 -19.003 2.163 -1.596 7 HG2 MET 1 2HG MET 1 -18.001 0.070 -3.550 8 HG3 MET 1 3HG MET 1 -18.602 1.671 -3.977 9 HE1 MET 1 3HE MET 1 -15.746 0.505 -4.906 10 HE2 MET 1 1HE MET 1 -14.721 1.919 -4.658 11 HE3 MET 1 2HE MET 1 -16.328 2.113 -5.356 12 H GLY 2 H GLY 2 -18.258 -1.524 1.052 13 HA2 GLY 2 2HA GLY 2 -18.768 -3.758 1.219 14 HA3 GLY 2 3HA GLY 2 -19.432 -3.711 -0.403 15 H LEU 3 H LEU 3 -17.875 -3.736 -2.201 16 HA LEU 3 HA LEU 3 -16.081 -5.918 -1.965 17 HB2 LEU 3 2HB LEU 3 -15.531 -5.373 -4.397 18 HB3 LEU 3 3HB LEU 3 -17.208 -5.715 -4.025 19 HG LEU 3 HG LEU 3 -17.620 -3.172 -4.045 20 HD11 LEU 3 1HD1 LEU 3 -15.334 -2.340 -3.841 21 HD12 LEU 3 2HD1 LEU 3 -16.083 -1.747 -5.319 22 HD13 LEU 3 3HD1 LEU 3 -14.911 -3.064 -5.395 23 HD21 LEU 3 3HD2 LEU 3 -17.794 -3.044 -6.488 24 HD22 LEU 3 1HD2 LEU 3 -18.351 -4.601 -5.880 25 HD23 LEU 3 2HD2 LEU 3 -16.765 -4.472 -6.644 26 H THR 4 H THR 4 -13.809 -5.984 -2.527 27 HA THR 4 HA THR 4 -12.178 -3.893 -1.420 28 HB THR 4 HB THR 4 -11.427 -6.437 -2.921 29 HG1 THR 4 HG1 THR 4 -11.152 -5.930 -0.145 30 HG21 THR 4 3HG2 THR 4 -9.652 -4.558 -1.313 31 HG22 THR 4 1HG2 THR 4 -9.570 -4.817 -3.061 32 HG23 THR 4 2HG2 THR 4 -9.163 -6.128 -1.950 33 H ARG 5 H ARG 5 -12.343 -2.028 -2.653 34 HA ARG 5 HA ARG 5 -12.024 -1.978 -5.511 35 HB2 ARG 5 2HB ARG 5 -12.002 0.437 -5.326 36 HB3 ARG 5 3HB ARG 5 -13.264 -0.211 -4.284 37 HG2 ARG 5 2HG ARG 5 -11.892 0.184 -2.304 38 HG3 ARG 5 3HG ARG 5 -10.530 0.690 -3.312 39 HD2 ARG 5 2HD ARG 5 -13.199 2.118 -3.032 40 HD3 ARG 5 3HD ARG 5 -11.646 2.645 -2.372 41 HE ARG 5 HE ARG 5 -11.865 2.326 -5.290 42 HH11 ARG 5 1HH1 ARG 5 -11.700 4.565 -2.567 43 HH12 ARG 5 2HH1 ARG 5 -11.317 5.924 -3.569 44 HH21 ARG 5 1HH2 ARG 5 -11.367 4.123 -6.570 45 HH22 ARG 5 2HH2 ARG 5 -11.124 5.676 -5.836 46 H THR 6 H THR 6 -10.223 -0.907 -6.634 47 HA THR 6 HA THR 6 -7.587 -1.409 -5.394 48 HB THR 6 HB THR 6 -8.332 -1.841 -8.326 49 HG1 THR 6 HG1 THR 6 -8.066 -3.643 -6.142 50 HG21 THR 6 3HG2 THR 6 -5.756 -2.484 -6.824 51 HG22 THR 6 1HG2 THR 6 -5.955 -1.217 -8.040 52 HG23 THR 6 2HG2 THR 6 -6.099 -2.916 -8.501 53 H ILE 7 H ILE 7 -6.576 0.481 -5.120 54 HA ILE 7 HA ILE 7 -7.398 2.864 -6.647 55 HB ILE 7 HB ILE 7 -5.903 2.618 -3.998 56 HG12 ILE 7 2HG1 ILE 7 -8.786 3.462 -4.545 57 HG13 ILE 7 3HG1 ILE 7 -8.291 1.924 -3.844 58 HG21 ILE 7 1HG2 ILE 7 -6.192 5.053 -3.766 59 HG22 ILE 7 2HG2 ILE 7 -6.947 5.122 -5.362 60 HG23 ILE 7 3HG2 ILE 7 -5.249 4.664 -5.206 61 HD11 ILE 7 3HD1 ILE 7 -9.117 3.425 -2.146 62 HD12 ILE 7 1HD1 ILE 7 -7.928 4.648 -2.592 63 HD13 ILE 7 2HD1 ILE 7 -7.400 3.112 -1.896 64 H THR 8 H THR 8 -6.077 3.429 -8.278 65 HA THR 8 HA THR 8 -3.236 2.603 -8.280 66 HB THR 8 HB THR 8 -3.314 3.092 -10.748 67 HG1 THR 8 HG1 THR 8 -4.949 4.253 -11.406 68 HG21 THR 8 3HG2 THR 8 -5.424 1.114 -9.806 69 HG22 THR 8 1HG2 THR 8 -3.701 0.771 -10.007 70 HG23 THR 8 2HG2 THR 8 -4.702 1.144 -11.414 71 H SER 9 H SER 9 -1.983 4.174 -7.431 72 HA SER 9 HA SER 9 -2.600 7.015 -8.019 73 HB2 SER 9 2HB SER 9 -3.511 6.499 -5.805 74 HB3 SER 9 3HB SER 9 -1.961 5.845 -5.291 75 HG SER 9 HG SER 9 -2.674 8.188 -4.852 76 H GLN 10 H GLN 10 -0.920 8.453 -7.779 77 HA GLN 10 HA GLN 10 1.681 7.426 -8.660 78 HB2 GLN 10 2HB GLN 10 0.563 10.265 -8.610 79 HB3 GLN 10 3HB GLN 10 2.015 9.738 -9.464 80 HG2 GLN 10 2HG GLN 10 0.686 8.387 -10.988 81 HG3 GLN 10 3HG GLN 10 -0.785 8.721 -10.080 82 HE21 GLN 10 1HE2 GLN 10 -1.748 10.785 -10.254 83 HE22 GLN 10 2HE2 GLN 10 -1.350 11.875 -11.532 84 H ASN 11 H ASN 11 0.208 8.567 -5.840 85 HA ASN 11 HA ASN 11 2.792 9.225 -4.531 86 HB2 ASN 11 2HB ASN 11 1.342 11.198 -4.621 87 HB3 ASN 11 3HB ASN 11 0.008 10.297 -3.911 88 HD21 ASN 11 1HD2 ASN 11 -0.218 11.637 -2.117 89 HD22 ASN 11 2HD2 ASN 11 0.980 11.775 -0.874 90 H LYS 12 H LYS 12 3.432 7.730 -3.155 91 HA LYS 12 HA LYS 12 1.769 5.575 -2.277 92 HB2 LYS 12 2HB LYS 12 3.824 4.822 -1.001 93 HB3 LYS 12 3HB LYS 12 4.024 5.012 -2.730 94 HG2 LYS 12 2HG LYS 12 6.013 5.874 -1.884 95 HG3 LYS 12 3HG LYS 12 5.053 7.324 -2.175 96 HD2 LYS 12 2HD LYS 12 4.480 7.421 0.234 97 HD3 LYS 12 3HD LYS 12 5.435 5.961 0.517 98 HE2 LYS 12 2HE LYS 12 6.682 8.002 1.136 99 HE3 LYS 12 3HE LYS 12 7.472 7.129 -0.172 100 HZ1 LYS 12 3HZ LYS 12 6.534 8.727 -1.748 101 HZ2 LYS 12 1HZ LYS 12 7.481 9.497 -0.580 102 HZ3 LYS 12 2HZ LYS 12 5.798 9.570 -0.480 103 H GLU 13 H GLU 13 2.506 8.673 -0.893 104 HA GLU 13 HA GLU 13 2.197 8.026 1.868 105 HB2 GLU 13 2HB GLU 13 1.968 10.657 0.367 106 HB3 GLU 13 3HB GLU 13 1.994 10.528 2.125 107 HG2 GLU 13 2HG GLU 13 4.241 9.825 2.170 108 HG3 GLU 13 3HG GLU 13 4.241 9.392 0.460 109 H GLU 14 H GLU 14 -0.047 9.511 -0.511 110 HA GLU 14 HA GLU 14 -2.261 9.737 1.242 111 HB2 GLU 14 2HB GLU 14 -3.616 10.096 -0.785 112 HB3 GLU 14 3HB GLU 14 -2.140 11.056 -0.803 113 HG2 GLU 14 2HG GLU 14 -1.114 9.377 -2.331 114 HG3 GLU 14 3HG GLU 14 -2.654 8.512 -2.382 115 H LEU 15 H LEU 15 -1.030 7.135 -0.746 116 HA LEU 15 HA LEU 15 -3.222 5.356 -0.560 117 HB2 LEU 15 2HB LEU 15 -0.252 4.866 -0.987 118 HB3 LEU 15 3HB LEU 15 -1.438 3.567 -1.018 119 HG LEU 15 HG LEU 15 -1.411 5.950 -2.915 120 HD11 LEU 15 1HD1 LEU 15 -0.746 4.362 -4.657 121 HD12 LEU 15 2HD1 LEU 15 -0.633 3.073 -3.454 122 HD13 LEU 15 3HD1 LEU 15 0.467 4.454 -3.379 123 HD21 LEU 15 3HD2 LEU 15 -3.172 3.484 -2.872 124 HD22 LEU 15 1HD2 LEU 15 -3.163 4.720 -4.130 125 HD23 LEU 15 2HD2 LEU 15 -3.676 5.134 -2.499 126 H LEU 16 H LEU 16 -0.574 6.117 1.647 127 HA LEU 16 HA LEU 16 -0.964 3.931 3.481 128 HB2 LEU 16 2HB LEU 16 0.288 6.660 3.957 129 HB3 LEU 16 3HB LEU 16 0.423 5.283 5.046 130 HG LEU 16 HG LEU 16 1.501 5.317 2.206 131 HD11 LEU 16 1HD1 LEU 16 3.025 5.747 4.781 132 HD12 LEU 16 2HD1 LEU 16 2.664 6.980 3.568 133 HD13 LEU 16 3HD1 LEU 16 3.710 5.625 3.155 134 HD21 LEU 16 3HD2 LEU 16 0.984 3.067 3.064 135 HD22 LEU 16 1HD2 LEU 16 2.002 3.366 4.476 136 HD23 LEU 16 2HD2 LEU 16 2.714 3.308 2.861 137 H GLU 17 H GLU 17 -2.075 7.280 3.295 138 HA GLU 17 HA GLU 17 -3.420 7.419 5.791 139 HB2 GLU 17 2HB GLU 17 -3.791 9.081 3.258 140 HB3 GLU 17 3HB GLU 17 -4.398 9.523 4.858 141 HG2 GLU 17 2HG GLU 17 -2.115 9.692 5.719 142 HG3 GLU 17 3HG GLU 17 -1.459 9.124 4.186 143 H ILE 18 H ILE 18 -4.594 6.726 2.485 144 HA ILE 18 HA ILE 18 -7.345 6.376 3.173 145 HB ILE 18 HB ILE 18 -5.839 5.297 0.744 146 HG12 ILE 18 2HG1 ILE 18 -7.563 7.809 0.958 147 HG13 ILE 18 3HG1 ILE 18 -5.806 7.808 0.955 148 HG21 ILE 18 1HG2 ILE 18 -8.834 5.566 1.197 149 HG22 ILE 18 2HG2 ILE 18 -7.930 4.057 1.081 150 HG23 ILE 18 3HG2 ILE 18 -8.078 5.102 -0.331 151 HD11 ILE 18 3HD1 ILE 18 -5.812 6.897 -1.324 152 HD12 ILE 18 1HD1 ILE 18 -6.677 8.430 -1.212 153 HD13 ILE 18 2HD1 ILE 18 -7.578 6.918 -1.324 154 H ALA 19 H ALA 19 -4.573 4.189 2.841 155 HA ALA 19 HA ALA 19 -5.791 1.706 3.186 156 HB1 ALA 19 3HB ALA 19 -3.449 1.928 2.533 157 HB2 ALA 19 1HB ALA 19 -3.578 0.922 3.980 158 HB3 ALA 19 2HB ALA 19 -3.045 2.602 4.113 159 H LEU 20 H LEU 20 -4.227 3.725 5.671 160 HA LEU 20 HA LEU 20 -4.769 2.257 7.946 161 HB2 LEU 20 2HB LEU 20 -3.207 4.160 7.872 162 HB3 LEU 20 3HB LEU 20 -4.547 5.271 7.645 163 HG LEU 20 HG LEU 20 -5.399 4.653 9.944 164 HD11 LEU 20 1HD1 LEU 20 -3.937 3.491 11.519 165 HD12 LEU 20 2HD1 LEU 20 -2.776 3.170 10.228 166 HD13 LEU 20 3HD1 LEU 20 -4.384 2.443 10.173 167 HD21 LEU 20 3HD2 LEU 20 -4.088 6.685 9.627 168 HD22 LEU 20 1HD2 LEU 20 -2.591 5.780 9.880 169 HD23 LEU 20 2HD2 LEU 20 -3.755 5.956 11.196 170 H LYS 21 H LYS 21 -6.808 4.634 6.297 171 HA LYS 21 HA LYS 21 -8.912 4.884 8.146 172 HB2 LYS 21 2HB LYS 21 -8.679 6.442 6.295 173 HB3 LYS 21 3HB LYS 21 -8.849 5.144 5.121 174 HG2 LYS 21 2HG LYS 21 -11.190 4.854 5.685 175 HG3 LYS 21 3HG LYS 21 -11.062 6.006 7.013 176 HD2 LYS 21 2HD LYS 21 -10.494 6.824 4.150 177 HD3 LYS 21 3HD LYS 21 -12.140 6.781 4.775 178 HE2 LYS 21 2HE LYS 21 -11.234 9.047 4.904 179 HE3 LYS 21 3HE LYS 21 -11.520 8.416 6.522 180 HZ1 LYS 21 3HZ LYS 21 -9.195 8.062 6.816 181 HZ2 LYS 21 1HZ LYS 21 -9.396 9.640 6.244 182 HZ3 LYS 21 2HZ LYS 21 -8.863 8.426 5.199 183 H PHE 22 H PHE 22 -8.474 2.629 5.402 184 HA PHE 22 HA PHE 22 -11.032 1.348 5.715 185 HB2 PHE 22 2HB PHE 22 -8.605 0.795 3.997 186 HB3 PHE 22 3HB PHE 22 -9.868 -0.425 4.121 187 HD1 PHE 22 HD1 PHE 22 -9.798 3.328 3.663 188 HD2 PHE 22 HD2 PHE 22 -11.304 -0.433 2.270 189 HE1 PHE 22 HE1 PHE 22 -11.072 4.480 1.909 190 HE2 PHE 22 HE2 PHE 22 -12.577 0.733 0.521 191 HZ PHE 22 HZ PHE 22 -12.464 3.188 0.336 192 H ILE 23 H ILE 23 -7.740 0.581 6.749 193 HA ILE 23 HA ILE 23 -8.286 -2.077 7.651 194 HB ILE 23 HB ILE 23 -5.971 -0.270 8.452 195 HG12 ILE 23 2HG1 ILE 23 -5.994 -0.448 6.007 196 HG13 ILE 23 3HG1 ILE 23 -4.657 -1.392 6.638 197 HG21 ILE 23 1HG2 ILE 23 -6.214 -3.291 8.544 198 HG22 ILE 23 2HG2 ILE 23 -6.172 -2.199 9.930 199 HG23 ILE 23 3HG2 ILE 23 -4.745 -2.375 8.906 200 HD11 ILE 23 3HD1 ILE 23 -5.732 -2.517 4.805 201 HD12 ILE 23 1HD1 ILE 23 -7.289 -2.468 5.630 202 HD13 ILE 23 2HD1 ILE 23 -5.968 -3.440 6.289 203 H SER 24 H SER 24 -8.193 1.125 9.164 204 HA SER 24 HA SER 24 -8.661 0.409 11.847 205 HB2 SER 24 2HB SER 24 -7.950 2.668 11.163 206 HB3 SER 24 3HB SER 24 -9.492 2.930 10.357 207 HG SER 24 HG SER 24 -8.896 2.826 13.096 208 H GLN 25 H GLN 25 -10.879 0.768 9.113 209 HA GLN 25 HA GLN 25 -13.286 0.447 10.745 210 HB2 GLN 25 2HB GLN 25 -12.910 0.642 7.729 211 HB3 GLN 25 3HB GLN 25 -14.475 0.584 8.538 212 HG2 GLN 25 2HG GLN 25 -14.041 2.730 9.611 213 HG3 GLN 25 3HG GLN 25 -12.412 2.777 8.938 214 HE21 GLN 25 1HE2 GLN 25 -12.771 4.720 7.848 215 HE22 GLN 25 2HE2 GLN 25 -13.791 4.841 6.458 216 H GLY 26 H GLY 26 -10.957 -1.652 9.681 217 HA2 GLY 26 2HA GLY 26 -10.851 -3.946 9.695 218 HA3 GLY 26 3HA GLY 26 -12.558 -4.009 10.106 219 H LEU 27 H LEU 27 -11.864 -2.150 7.371 220 HA LEU 27 HA LEU 27 -13.184 -3.932 5.540 221 HB2 LEU 27 2HB LEU 27 -11.791 -1.278 5.033 222 HB3 LEU 27 3HB LEU 27 -12.790 -2.132 3.865 223 HG LEU 27 HG LEU 27 -13.800 -0.970 6.494 224 HD11 LEU 27 1HD1 LEU 27 -14.897 0.731 5.099 225 HD12 LEU 27 2HD1 LEU 27 -14.109 0.069 3.663 226 HD13 LEU 27 3HD1 LEU 27 -13.141 0.802 4.946 227 HD21 LEU 27 3HD2 LEU 27 -15.296 -2.232 4.170 228 HD22 LEU 27 1HD2 LEU 27 -16.044 -1.415 5.546 229 HD23 LEU 27 2HD2 LEU 27 -15.129 -2.897 5.799 230 H ASP 28 H ASP 28 -12.202 -4.264 3.340 231 HA ASP 28 HA ASP 28 -9.316 -4.909 3.457 232 HB2 ASP 28 2HB ASP 28 -10.994 -6.865 3.300 233 HB3 ASP 28 3HB ASP 28 -11.399 -6.270 1.693 234 H LEU 29 H LEU 29 -8.067 -4.042 1.842 235 HA LEU 29 HA LEU 29 -9.314 -2.408 -0.275 236 HB2 LEU 29 2HB LEU 29 -8.991 -0.876 1.641 237 HB3 LEU 29 3HB LEU 29 -7.310 -1.368 1.773 238 HG LEU 29 HG LEU 29 -6.848 -0.357 -0.472 239 HD11 LEU 29 1HD1 LEU 29 -8.485 1.088 -1.553 240 HD12 LEU 29 2HD1 LEU 29 -9.704 0.637 -0.358 241 HD13 LEU 29 3HD1 LEU 29 -9.060 -0.574 -1.471 242 HD21 LEU 29 3HD2 LEU 29 -6.953 1.986 0.196 243 HD22 LEU 29 1HD2 LEU 29 -6.440 0.967 1.539 244 HD23 LEU 29 2HD2 LEU 29 -8.094 1.587 1.486 245 H GLU 30 H GLU 30 -8.104 -2.407 -2.134 246 HA GLU 30 HA GLU 30 -5.351 -3.494 -2.044 247 HB2 GLU 30 2HB GLU 30 -6.960 -4.938 -3.281 248 HB3 GLU 30 3HB GLU 30 -7.338 -3.589 -4.346 249 HG2 GLU 30 2HG GLU 30 -5.184 -3.641 -5.360 250 HG3 GLU 30 3HG GLU 30 -4.520 -4.661 -4.085 251 H VAL 31 H VAL 31 -3.769 -2.209 -2.822 252 HA VAL 31 HA VAL 31 -4.446 0.256 -4.311 253 HB VAL 31 HB VAL 31 -2.634 1.477 -2.998 254 HG11 VAL 31 1HG1 VAL 31 -5.000 1.925 -2.537 255 HG12 VAL 31 2HG1 VAL 31 -4.057 2.005 -1.045 256 HG13 VAL 31 3HG1 VAL 31 -5.052 0.584 -1.384 257 HG21 VAL 31 3HG2 VAL 31 -1.993 0.631 -0.759 258 HG22 VAL 31 1HG2 VAL 31 -1.431 -0.446 -2.040 259 HG23 VAL 31 2HG2 VAL 31 -2.849 -0.880 -1.078 260 H GLU 32 H GLU 32 -3.414 0.252 -6.162 261 HA GLU 32 HA GLU 32 -0.847 -1.145 -6.520 262 HB2 GLU 32 2HB GLU 32 -2.721 -1.824 -8.013 263 HB3 GLU 32 3HB GLU 32 -2.846 -0.170 -8.603 264 HG2 GLU 32 2HG GLU 32 -0.600 -0.311 -9.582 265 HG3 GLU 32 3HG GLU 32 -0.389 -1.928 -8.912 266 H PHE 33 H PHE 33 0.915 0.110 -6.592 267 HA PHE 33 HA PHE 33 0.736 2.985 -6.714 268 HB2 PHE 33 2HB PHE 33 2.360 1.698 -5.261 269 HB3 PHE 33 3HB PHE 33 3.237 1.254 -6.719 270 HD1 PHE 33 HD1 PHE 33 1.741 4.436 -5.377 271 HD2 PHE 33 HD2 PHE 33 5.216 2.466 -6.910 272 HE1 PHE 33 HE1 PHE 33 3.015 6.521 -5.184 273 HE2 PHE 33 HE2 PHE 33 6.470 4.556 -6.719 274 HZ PHE 33 HZ PHE 33 5.377 6.588 -5.858 275 H ASP 34 H ASP 34 0.321 3.870 -8.613 276 HA ASP 34 HA ASP 34 1.140 2.721 -11.148 277 HB2 ASP 34 2HB ASP 34 -1.112 3.645 -11.024 278 HB3 ASP 34 3HB ASP 34 -0.507 5.194 -10.440 279 H SER 35 H SER 35 3.396 2.881 -10.634 280 HA SER 35 HA SER 35 4.647 5.082 -11.963 281 HB2 SER 35 2HB SER 35 4.459 6.096 -9.702 282 HB3 SER 35 3HB SER 35 5.272 4.705 -8.995 283 HG SER 35 HG SER 35 6.589 6.624 -9.448 284 H THR 36 H THR 36 6.591 4.463 -12.811 285 HA THR 36 HA THR 36 7.574 1.723 -12.319 286 HB THR 36 HB THR 36 8.943 2.103 -14.393 287 HG1 THR 36 HG1 THR 36 7.823 4.673 -14.131 288 HG21 THR 36 3HG2 THR 36 5.975 2.685 -14.802 289 HG22 THR 36 1HG2 THR 36 6.682 1.076 -14.602 290 HG23 THR 36 2HG2 THR 36 7.091 2.049 -16.012 291 H ASP 37 H ASP 37 8.101 4.488 -10.780 292 HA ASP 37 HA ASP 37 10.982 4.816 -11.087 293 HB2 ASP 37 2HB ASP 37 9.429 6.806 -10.786 294 HB3 ASP 37 3HB ASP 37 9.114 6.253 -9.147 295 H ASP 38 H ASP 38 12.162 3.324 -10.147 296 HA ASP 38 HA ASP 38 11.483 1.398 -8.333 297 HB2 ASP 38 2HB ASP 38 14.226 2.636 -8.783 298 HB3 ASP 38 3HB ASP 38 13.956 1.136 -7.898 299 H LYS 39 H LYS 39 12.971 4.552 -7.573 300 HA LYS 39 HA LYS 39 13.495 4.053 -4.845 301 HB2 LYS 39 2HB LYS 39 13.093 6.675 -6.326 302 HB3 LYS 39 3HB LYS 39 13.728 6.554 -4.687 303 HG2 LYS 39 2HG LYS 39 15.032 5.461 -7.212 304 HG3 LYS 39 3HG LYS 39 15.531 6.894 -6.306 305 HD2 LYS 39 2HD LYS 39 15.593 4.024 -5.272 306 HD3 LYS 39 3HD LYS 39 16.989 4.957 -5.819 307 HE2 LYS 39 2HE LYS 39 16.727 6.523 -3.978 308 HE3 LYS 39 3HE LYS 39 15.225 5.744 -3.474 309 HZ1 LYS 39 3HZ LYS 39 17.902 4.473 -3.480 310 HZ2 LYS 39 1HZ LYS 39 16.460 3.746 -2.981 311 HZ3 LYS 39 2HZ LYS 39 17.092 5.056 -2.115 312 H GLU 40 H GLU 40 10.759 5.671 -6.443 313 HA GLU 40 HA GLU 40 9.284 6.324 -4.117 314 HB2 GLU 40 2HB GLU 40 8.342 5.820 -6.971 315 HB3 GLU 40 3HB GLU 40 7.342 6.544 -5.714 316 HG2 GLU 40 2HG GLU 40 9.885 7.724 -6.891 317 HG3 GLU 40 3HG GLU 40 8.233 8.238 -7.229 318 H ILE 41 H ILE 41 9.325 3.435 -6.185 319 HA ILE 41 HA ILE 41 7.116 2.063 -5.050 320 HB ILE 41 HB ILE 41 9.537 0.944 -6.527 321 HG12 ILE 41 2HG1 ILE 41 6.725 1.512 -7.586 322 HG13 ILE 41 3HG1 ILE 41 8.129 2.530 -7.875 323 HG21 ILE 41 1HG2 ILE 41 8.150 -1.091 -6.916 324 HG22 ILE 41 2HG2 ILE 41 6.918 -0.433 -5.837 325 HG23 ILE 41 3HG2 ILE 41 8.519 -0.838 -5.211 326 HD11 ILE 41 3HD1 ILE 41 7.629 1.134 -9.801 327 HD12 ILE 41 1HD1 ILE 41 7.806 -0.324 -8.823 328 HD13 ILE 41 2HD1 ILE 41 9.201 0.719 -9.122 329 H GLU 42 H GLU 42 10.595 2.117 -4.244 330 HA GLU 42 HA GLU 42 10.688 -0.047 -2.432 331 HB2 GLU 42 2HB GLU 42 12.366 2.501 -2.500 332 HB3 GLU 42 3HB GLU 42 12.724 1.108 -1.481 333 HG2 GLU 42 2HG GLU 42 13.043 -0.281 -3.491 334 HG3 GLU 42 3HG GLU 42 12.689 1.111 -4.509 335 H GLU 43 H GLU 43 10.077 3.422 -1.952 336 HA GLU 43 HA GLU 43 9.703 3.357 0.849 337 HB2 GLU 43 2HB GLU 43 8.662 5.348 -1.192 338 HB3 GLU 43 3HB GLU 43 8.594 5.572 0.556 339 HG2 GLU 43 2HG GLU 43 11.130 5.377 0.562 340 HG3 GLU 43 3HG GLU 43 11.059 5.470 -1.203 341 H PHE 44 H PHE 44 7.467 2.937 -1.901 342 HA PHE 44 HA PHE 44 5.025 2.958 -0.487 343 HB2 PHE 44 2HB PHE 44 5.076 3.108 -2.928 344 HB3 PHE 44 3HB PHE 44 5.847 1.535 -3.055 345 HD1 PHE 44 HD1 PHE 44 2.686 3.002 -1.566 346 HD2 PHE 44 HD2 PHE 44 4.474 -0.224 -3.744 347 HE1 PHE 44 HE1 PHE 44 0.471 1.959 -1.859 348 HE2 PHE 44 HE2 PHE 44 2.262 -1.250 -4.022 349 HZ PHE 44 HZ PHE 44 0.263 -0.168 -3.083 350 H GLU 45 H GLU 45 7.331 0.352 -1.217 351 HA GLU 45 HA GLU 45 5.935 -1.819 -0.129 352 HB2 GLU 45 2HB GLU 45 8.935 -1.375 -0.376 353 HB3 GLU 45 3HB GLU 45 8.174 -2.932 -0.022 354 HG2 GLU 45 2HG GLU 45 6.941 -2.705 -2.204 355 HG3 GLU 45 3HG GLU 45 7.938 -1.297 -2.558 356 H ARG 46 H ARG 46 8.657 0.003 1.356 357 HA ARG 46 HA ARG 46 8.511 -1.471 3.765 358 HB2 ARG 46 2HB ARG 46 10.180 0.156 4.658 359 HB3 ARG 46 3HB ARG 46 10.622 -0.602 3.146 360 HG2 ARG 46 2HG ARG 46 11.360 1.581 2.872 361 HG3 ARG 46 3HG ARG 46 9.819 1.588 2.019 362 HD2 ARG 46 2HD ARG 46 10.251 3.622 3.434 363 HD3 ARG 46 3HD ARG 46 8.751 2.773 3.830 364 HE ARG 46 HE ARG 46 10.981 1.918 5.437 365 HH11 ARG 46 1HH1 ARG 46 8.497 4.415 5.201 366 HH12 ARG 46 2HH1 ARG 46 8.533 4.761 6.899 367 HH21 ARG 46 1HH2 ARG 46 10.960 2.345 7.649 368 HH22 ARG 46 2HH2 ARG 46 9.930 3.586 8.289 369 H ASP 47 H ASP 47 7.207 1.724 2.919 370 HA ASP 47 HA ASP 47 6.157 2.363 5.439 371 HB2 ASP 47 2HB ASP 47 5.503 3.260 2.636 372 HB3 ASP 47 3HB ASP 47 4.427 3.719 3.944 373 H MET 48 H MET 48 4.615 0.559 2.730 374 HA MET 48 HA MET 48 2.143 0.105 4.068 375 HB2 MET 48 2HB MET 48 3.448 -1.356 1.757 376 HB3 MET 48 3HB MET 48 1.913 -1.901 2.431 377 HG2 MET 48 2HG MET 48 2.470 0.794 1.174 378 HG3 MET 48 3HG MET 48 1.492 -0.517 0.497 379 HE1 MET 48 3HE MET 48 -0.451 1.215 0.092 380 HE2 MET 48 1HE MET 48 0.397 2.557 0.862 381 HE3 MET 48 2HE MET 48 -1.245 2.147 1.360 382 H GLU 49 H GLU 49 5.174 -1.695 4.086 383 HA GLU 49 HA GLU 49 4.299 -3.980 5.511 384 HB2 GLU 49 2HB GLU 49 7.070 -2.730 5.284 385 HB3 GLU 49 3HB GLU 49 6.761 -4.298 6.036 386 HG2 GLU 49 2HG GLU 49 5.872 -5.143 3.909 387 HG3 GLU 49 3HG GLU 49 6.165 -3.583 3.149 388 H ASP 50 H ASP 50 5.860 -0.967 6.607 389 HA ASP 50 HA ASP 50 5.906 -1.581 9.376 390 HB2 ASP 50 2HB ASP 50 6.346 0.924 7.755 391 HB3 ASP 50 3HB ASP 50 6.148 1.087 9.494 392 H LEU 51 H LEU 51 3.588 0.131 7.339 393 HA LEU 51 HA LEU 51 1.733 0.908 9.307 394 HB2 LEU 51 2HB LEU 51 1.664 1.734 6.982 395 HB3 LEU 51 3HB LEU 51 1.272 0.124 6.403 396 HG LEU 51 HG LEU 51 -0.932 0.240 7.584 397 HD11 LEU 51 1HD1 LEU 51 -1.737 2.377 8.499 398 HD12 LEU 51 2HD1 LEU 51 -0.133 3.081 8.269 399 HD13 LEU 51 3HD1 LEU 51 -0.363 1.751 9.408 400 HD21 LEU 51 3HD2 LEU 51 -0.800 0.888 5.231 401 HD22 LEU 51 1HD2 LEU 51 -0.411 2.550 5.690 402 HD23 LEU 51 2HD2 LEU 51 -1.994 1.869 6.079 403 H ALA 52 H ALA 52 2.062 -2.083 7.411 404 HA ALA 52 HA ALA 52 -0.159 -3.472 8.483 405 HB1 ALA 52 3HB ALA 52 0.916 -4.088 6.366 406 HB2 ALA 52 1HB ALA 52 0.842 -5.464 7.474 407 HB3 ALA 52 2HB ALA 52 2.365 -4.597 7.237 408 H LYS 53 H LYS 53 3.168 -3.146 9.619 409 HA LYS 53 HA LYS 53 3.062 -5.081 11.670 410 HB2 LYS 53 2HB LYS 53 4.887 -2.874 10.961 411 HB3 LYS 53 3HB LYS 53 4.747 -3.062 12.696 412 HG2 LYS 53 2HG LYS 53 6.571 -4.406 12.163 413 HG3 LYS 53 3HG LYS 53 5.249 -5.556 12.316 414 HD2 LYS 53 2HD LYS 53 6.464 -6.239 10.397 415 HD3 LYS 53 3HD LYS 53 5.024 -5.433 9.761 416 HE2 LYS 53 2HE LYS 53 7.101 -4.801 8.546 417 HE3 LYS 53 3HE LYS 53 6.323 -3.413 9.300 418 HZ1 LYS 53 3HZ LYS 53 8.671 -4.873 10.384 419 HZ2 LYS 53 1HZ LYS 53 7.945 -3.522 11.093 420 HZ3 LYS 53 2HZ LYS 53 8.721 -3.380 9.597 421 H LYS 54 H LYS 54 2.396 -1.577 11.740 422 HA LYS 54 HA LYS 54 1.737 -1.268 14.442 423 HB2 LYS 54 2HB LYS 54 0.644 0.257 12.039 424 HB3 LYS 54 3HB LYS 54 0.510 0.790 13.715 425 HG2 LYS 54 2HG LYS 54 2.940 1.028 13.868 426 HG3 LYS 54 3HG LYS 54 3.129 0.396 12.230 427 HD2 LYS 54 2HD LYS 54 3.308 2.844 12.214 428 HD3 LYS 54 3HD LYS 54 1.868 2.331 11.330 429 HE2 LYS 54 2HE LYS 54 0.449 2.926 13.246 430 HE3 LYS 54 3HE LYS 54 1.875 3.335 14.202 431 HZ1 LYS 54 3HZ LYS 54 2.355 5.140 12.696 432 HZ2 LYS 54 1HZ LYS 54 0.769 5.288 13.263 433 HZ3 LYS 54 2HZ LYS 54 1.060 4.711 11.706 434 H THR 55 H THR 55 -0.322 -2.010 11.667 435 HA THR 55 HA THR 55 -2.763 -2.115 13.218 436 HB THR 55 HB THR 55 -3.822 -2.635 11.005 437 HG1 THR 55 HG1 THR 55 -1.648 -2.074 9.473 438 HG21 THR 55 3HG2 THR 55 -3.513 -0.253 11.651 439 HG22 THR 55 1HG2 THR 55 -3.350 -0.469 9.906 440 HG23 THR 55 2HG2 THR 55 -1.910 -0.264 10.908 441 H GLY 56 H GLY 56 -0.282 -4.378 12.388 442 HA2 GLY 56 2HA GLY 56 -0.040 -6.562 13.073 443 HA3 GLY 56 3HA GLY 56 -1.658 -6.524 13.753 444 H VAL 57 H VAL 57 -1.188 -5.672 10.417 445 HA VAL 57 HA VAL 57 -2.791 -8.053 9.659 446 HB VAL 57 HB VAL 57 -3.688 -6.830 7.805 447 HG11 VAL 57 1HG1 VAL 57 -3.671 -5.033 10.250 448 HG12 VAL 57 2HG1 VAL 57 -4.745 -6.408 9.973 449 HG13 VAL 57 3HG1 VAL 57 -4.851 -4.986 8.935 450 HG21 VAL 57 3HG2 VAL 57 -1.804 -4.531 8.465 451 HG22 VAL 57 1HG2 VAL 57 -3.082 -4.498 7.248 452 HG23 VAL 57 2HG2 VAL 57 -1.705 -5.583 7.050 453 H GLN 58 H GLN 58 -2.562 -8.565 7.251 454 HA GLN 58 HA GLN 58 0.282 -9.028 6.601 455 HB2 GLN 58 2HB GLN 58 -2.216 -10.457 5.580 456 HB3 GLN 58 3HB GLN 58 -0.545 -10.923 5.254 457 HG2 GLN 58 2HG GLN 58 -0.223 -11.590 7.555 458 HG3 GLN 58 3HG GLN 58 -1.779 -10.901 8.027 459 HE21 GLN 58 1HE2 GLN 58 -0.838 -13.648 8.358 460 HE22 GLN 58 2HE2 GLN 58 -1.979 -14.655 7.541 461 H ILE 59 H ILE 59 1.012 -8.586 4.490 462 HA ILE 59 HA ILE 59 -0.662 -6.881 2.737 463 HB ILE 59 HB ILE 59 1.437 -6.052 1.760 464 HG12 ILE 59 2HG1 ILE 59 2.860 -7.954 3.686 465 HG13 ILE 59 3HG1 ILE 59 2.814 -8.100 1.934 466 HG21 ILE 59 1HG2 ILE 59 1.593 -5.930 4.787 467 HG22 ILE 59 2HG2 ILE 59 0.600 -4.895 3.767 468 HG23 ILE 59 3HG2 ILE 59 2.356 -4.803 3.661 469 HD11 ILE 59 3HD1 ILE 59 4.161 -5.900 3.492 470 HD12 ILE 59 1HD1 ILE 59 4.106 -6.039 1.730 471 HD13 ILE 59 2HD1 ILE 59 4.942 -7.261 2.685 472 H GLN 60 H GLN 60 -0.257 -7.207 0.358 473 HA GLN 60 HA GLN 60 0.814 -9.848 -0.405 474 HB2 GLN 60 2HB GLN 60 -1.666 -10.077 -0.193 475 HB3 GLN 60 3HB GLN 60 -1.883 -8.753 -1.328 476 HG2 GLN 60 2HG GLN 60 -2.241 -10.887 -2.446 477 HG3 GLN 60 3HG GLN 60 -0.814 -10.088 -3.107 478 HE21 GLN 60 1HE2 GLN 60 -0.914 -11.871 -0.035 479 HE22 GLN 60 2HE2 GLN 60 0.104 -13.162 -0.554 480 H LYS 61 H LYS 61 2.586 -9.071 -1.451 481 HA LYS 61 HA LYS 61 2.429 -6.780 -3.260 482 HB2 LYS 61 2HB LYS 61 4.762 -8.550 -2.444 483 HB3 LYS 61 3HB LYS 61 4.900 -7.178 -3.543 484 HG2 LYS 61 2HG LYS 61 4.134 -5.687 -1.700 485 HG3 LYS 61 3HG LYS 61 4.132 -7.080 -0.607 486 HD2 LYS 61 2HD LYS 61 6.541 -7.377 -0.935 487 HD3 LYS 61 3HD LYS 61 6.576 -6.088 -2.140 488 HE2 LYS 61 2HE LYS 61 5.982 -4.453 -0.394 489 HE3 LYS 61 3HE LYS 61 5.931 -5.747 0.805 490 HZ1 LYS 61 3HZ LYS 61 8.328 -4.952 -0.762 491 HZ2 LYS 61 1HZ LYS 61 8.265 -6.161 0.422 492 HZ3 LYS 61 2HZ LYS 61 8.032 -4.538 0.854 493 H GLN 62 H GLN 62 2.263 -6.941 -5.440 494 HA GLN 62 HA GLN 62 3.138 -9.396 -6.817 495 HB2 GLN 62 2HB GLN 62 0.676 -9.488 -6.759 496 HB3 GLN 62 3HB GLN 62 0.573 -7.840 -7.376 497 HG2 GLN 62 2HG GLN 62 1.606 -8.574 -9.510 498 HG3 GLN 62 3HG GLN 62 1.714 -10.221 -8.893 499 HE21 GLN 62 1HE2 GLN 62 -0.230 -11.422 -8.620 500 HE22 GLN 62 2HE2 GLN 62 -1.665 -10.982 -9.480 501 H TRP 63 H TRP 63 4.781 -8.798 -8.090 502 HA TRP 63 HA TRP 63 4.973 -6.108 -9.239 503 HB2 TRP 63 2HB TRP 63 6.842 -8.514 -9.254 504 HB3 TRP 63 3HB TRP 63 7.178 -7.040 -10.158 505 HD1 TRP 63 HD1 TRP 63 6.905 -8.284 -6.485 506 HE1 TRP 63 HE1 TRP 63 8.193 -6.632 -4.988 507 HE3 TRP 63 HE3 TRP 63 8.024 -4.711 -9.978 508 HZ2 TRP 63 HZ2 TRP 63 9.515 -4.162 -5.246 509 HZ3 TRP 63 HZ3 TRP 63 9.311 -2.734 -9.270 510 HH2 TRP 63 HH2 TRP 63 10.039 -2.467 -6.949 511 H GLN 64 H GLN 64 4.141 -5.694 -11.212 512 HA GLN 64 HA GLN 64 3.856 -7.797 -13.244 513 HB2 GLN 64 2HB GLN 64 1.758 -7.746 -11.690 514 HB3 GLN 64 3HB GLN 64 1.381 -6.195 -12.426 515 HG2 GLN 64 2HG GLN 64 1.558 -8.885 -13.838 516 HG3 GLN 64 3HG GLN 64 0.083 -8.024 -13.431 517 HE21 GLN 64 1HE2 GLN 64 2.740 -8.274 -15.641 518 HE22 GLN 64 2HE2 GLN 64 2.157 -7.149 -16.816 519 H GLY 65 H GLY 65 4.964 -6.774 -14.796 520 HA2 GLY 65 2HA GLY 65 5.649 -5.258 -16.359 521 HA3 GLY 65 3HA GLY 65 4.093 -4.451 -16.142 522 H ASN 66 H ASN 66 6.464 -5.014 -13.634 523 HA ASN 66 HA ASN 66 7.813 -3.772 -12.341 524 HB2 ASN 66 2HB ASN 66 8.710 -2.730 -14.411 525 HB3 ASN 66 3HB ASN 66 7.467 -1.492 -14.315 526 HD21 ASN 66 1HD2 ASN 66 9.207 0.044 -14.326 527 HD22 ASN 66 2HD2 ASN 66 10.111 0.371 -12.888 528 H LYS 67 H LYS 67 4.626 -2.664 -13.156 529 HA LYS 67 HA LYS 67 4.281 -0.782 -11.037 530 HB2 LYS 67 2HB LYS 67 2.249 -2.387 -12.650 531 HB3 LYS 67 3HB LYS 67 1.840 -1.072 -11.546 532 HG2 LYS 67 2HG LYS 67 3.555 -0.798 -14.040 533 HG3 LYS 67 3HG LYS 67 1.840 -0.378 -13.924 534 HD2 LYS 67 2HD LYS 67 2.442 1.295 -12.127 535 HD3 LYS 67 3HD LYS 67 4.149 0.933 -12.420 536 HE2 LYS 67 2HE LYS 67 3.471 2.972 -13.608 537 HE3 LYS 67 3HE LYS 67 3.910 1.702 -14.750 538 HZ1 LYS 67 3HZ LYS 67 1.579 1.256 -15.124 539 HZ2 LYS 67 1HZ LYS 67 1.906 2.887 -15.413 540 HZ3 LYS 67 2HZ LYS 67 1.127 2.421 -13.988 541 H LEU 68 H LEU 68 4.083 -1.242 -8.962 542 HA LEU 68 HA LEU 68 3.783 -4.023 -8.073 543 HB2 LEU 68 2HB LEU 68 5.704 -2.841 -7.191 544 HB3 LEU 68 3HB LEU 68 4.687 -1.540 -6.593 545 HG LEU 68 HG LEU 68 3.608 -3.183 -4.992 546 HD11 LEU 68 1HD1 LEU 68 4.044 -5.261 -6.190 547 HD12 LEU 68 2HD1 LEU 68 4.705 -5.333 -4.558 548 HD13 LEU 68 3HD1 LEU 68 5.782 -5.071 -5.935 549 HD21 LEU 68 3HD2 LEU 68 6.603 -2.896 -4.726 550 HD22 LEU 68 1HD2 LEU 68 5.459 -3.240 -3.424 551 HD23 LEU 68 2HD2 LEU 68 5.394 -1.694 -4.267 552 H ARG 69 H ARG 69 1.921 -4.717 -7.398 553 HA ARG 69 HA ARG 69 -0.192 -2.917 -6.407 554 HB2 ARG 69 2HB ARG 69 -0.660 -4.310 -8.433 555 HB3 ARG 69 3HB ARG 69 -0.326 -5.760 -7.497 556 HG2 ARG 69 2HG ARG 69 -2.273 -5.131 -6.011 557 HG3 ARG 69 3HG ARG 69 -2.637 -3.830 -7.150 558 HD2 ARG 69 2HD ARG 69 -4.032 -5.761 -7.652 559 HD3 ARG 69 3HD ARG 69 -2.866 -5.516 -8.956 560 HE ARG 69 HE ARG 69 -1.515 -7.319 -7.863 561 HH11 ARG 69 1HH1 ARG 69 -5.025 -7.282 -7.470 562 HH12 ARG 69 2HH1 ARG 69 -5.112 -8.995 -7.186 563 HH21 ARG 69 1HH2 ARG 69 -1.671 -9.532 -7.380 564 HH22 ARG 69 2HH2 ARG 69 -3.224 -10.251 -7.134 565 H ILE 70 H ILE 70 -0.147 -2.856 -4.195 566 HA ILE 70 HA ILE 70 0.399 -5.348 -2.685 567 HB ILE 70 HB ILE 70 0.653 -2.477 -1.680 568 HG12 ILE 70 2HG1 ILE 70 2.763 -4.614 -2.215 569 HG13 ILE 70 3HG1 ILE 70 2.549 -3.113 -3.109 570 HG21 ILE 70 1HG2 ILE 70 -0.201 -3.961 0.101 571 HG22 ILE 70 2HG2 ILE 70 1.454 -3.463 0.449 572 HG23 ILE 70 3HG2 ILE 70 1.135 -5.082 -0.180 573 HD11 ILE 70 3HD1 ILE 70 4.452 -2.976 -1.622 574 HD12 ILE 70 1HD1 ILE 70 3.441 -3.354 -0.227 575 HD13 ILE 70 2HD1 ILE 70 3.203 -1.843 -1.112 576 H ARG 71 H ARG 71 -1.427 -6.305 -2.029 577 HA ARG 71 HA ARG 71 -3.848 -4.744 -1.537 578 HB2 ARG 71 2HB ARG 71 -4.052 -6.780 -2.936 579 HB3 ARG 71 3HB ARG 71 -3.450 -7.759 -1.598 580 HG2 ARG 71 2HG ARG 71 -5.421 -7.151 -0.249 581 HG3 ARG 71 3HG ARG 71 -6.003 -6.121 -1.556 582 HD2 ARG 71 2HD ARG 71 -6.245 -8.111 -3.009 583 HD3 ARG 71 3HD ARG 71 -5.684 -9.138 -1.675 584 HE ARG 71 HE ARG 71 -7.761 -7.682 -0.633 585 HH11 ARG 71 1HH1 ARG 71 -7.487 -9.941 -3.315 586 HH12 ARG 71 2HH1 ARG 71 -9.136 -10.467 -3.181 587 HH21 ARG 71 1HH2 ARG 71 -9.904 -8.336 -0.498 588 HH22 ARG 71 2HH2 ARG 71 -10.513 -9.555 -1.577 589 H LEU 72 H LEU 72 -4.612 -4.389 0.431 590 HA LEU 72 HA LEU 72 -3.164 -5.382 2.795 591 HB2 LEU 72 2HB LEU 72 -4.650 -2.755 2.402 592 HB3 LEU 72 3HB LEU 72 -3.827 -3.252 3.879 593 HG LEU 72 HG LEU 72 -2.491 -2.661 1.204 594 HD11 LEU 72 1HD1 LEU 72 -1.551 -0.715 2.302 595 HD12 LEU 72 2HD1 LEU 72 -2.432 -1.095 3.784 596 HD13 LEU 72 3HD1 LEU 72 -3.309 -0.654 2.316 597 HD21 LEU 72 3HD2 LEU 72 -1.230 -3.422 3.859 598 HD22 LEU 72 1HD2 LEU 72 -0.357 -2.876 2.421 599 HD23 LEU 72 2HD2 LEU 72 -1.248 -4.392 2.382 600 H LYS 73 H LYS 73 -4.342 -6.294 4.377 601 HA LYS 73 HA LYS 73 -7.302 -6.425 4.098 602 HB2 LYS 73 2HB LYS 73 -7.154 -8.665 5.082 603 HB3 LYS 73 3HB LYS 73 -6.199 -8.541 3.608 604 HG2 LYS 73 2HG LYS 73 -4.168 -8.155 5.163 605 HG3 LYS 73 3HG LYS 73 -5.221 -8.717 6.465 606 HD2 LYS 73 2HD LYS 73 -3.992 -10.631 5.727 607 HD3 LYS 73 3HD LYS 73 -5.628 -10.823 5.100 608 HE2 LYS 73 2HE LYS 73 -4.887 -10.083 2.878 609 HE3 LYS 73 3HE LYS 73 -3.267 -9.765 3.505 610 HZ1 LYS 73 3HZ LYS 73 -3.225 -11.854 2.420 611 HZ2 LYS 73 1HZ LYS 73 -4.603 -12.400 3.236 612 HZ3 LYS 73 2HZ LYS 73 -3.156 -12.170 4.076 613 H GLY 74 H GLY 74 -8.482 -6.573 6.146 614 HA2 GLY 74 2HA GLY 74 -7.234 -4.798 8.171 615 HA3 GLY 74 3HA GLY 74 -8.949 -4.900 7.814 616 H SER 75 H SER 75 -10.097 -6.851 8.490 617 HA SER 75 HA SER 75 -9.181 -7.591 11.191 618 HB2 SER 75 2HB SER 75 -11.649 -8.161 11.504 619 HB3 SER 75 3HB SER 75 -11.315 -6.467 11.152 620 HG SER 75 HG SER 75 -12.390 -6.630 9.350 621 H LEU 76 H LEU 76 -7.773 -9.292 10.645 622 HA LEU 76 HA LEU 76 -8.976 -11.751 9.491 623 HB2 LEU 76 2HB LEU 76 -6.280 -10.474 9.109 624 HB3 LEU 76 3HB LEU 76 -6.333 -12.222 9.111 625 HG LEU 76 HG LEU 76 -6.366 -11.260 6.822 626 HD11 LEU 76 1HD1 LEU 76 -7.346 -13.472 7.207 627 HD12 LEU 76 2HD1 LEU 76 -8.195 -12.611 5.930 628 HD13 LEU 76 3HD1 LEU 76 -8.923 -12.743 7.533 629 HD21 LEU 76 3HD2 LEU 76 -9.105 -10.144 7.528 630 HD22 LEU 76 1HD2 LEU 76 -8.315 -10.087 5.950 631 HD23 LEU 76 2HD2 LEU 76 -7.635 -9.191 7.307 632 H GLU 77 H GLU 77 -8.588 -13.698 10.495 633 HA GLU 77 HA GLU 77 -7.570 -13.655 13.238 634 HB2 GLU 77 2HB GLU 77 -9.130 -15.739 11.668 635 HB3 GLU 77 3HB GLU 77 -8.511 -16.029 13.293 636 HG2 GLU 77 2HG GLU 77 -10.545 -13.921 12.486 637 HG3 GLU 77 3HG GLU 77 -10.877 -15.420 13.352 638 H HIS 78 H HIS 78 -5.439 -13.665 13.135 639 HA HIS 78 HA HIS 78 -4.168 -16.221 12.654 640 HB2 HIS 78 2HB HIS 78 -2.201 -15.235 11.460 641 HB3 HIS 78 3HB HIS 78 -3.666 -15.145 10.507 642 HD1 HIS 78 HD1 HIS 78 -4.891 -12.635 10.706 643 HD2 HIS 78 HD2 HIS 78 -0.815 -12.898 11.454 644 HE1 HIS 78 HE1 HIS 78 -4.004 -10.301 10.439 645 HE2 HIS 78 HE2 HIS 78 -1.582 -10.458 11.110 646 H HIS 79 H HIS 79 -4.517 -16.089 14.903 647 HA HIS 79 HA HIS 79 -3.972 -13.895 16.533 648 HB2 HIS 79 2HB HIS 79 -5.519 -15.757 17.104 649 HB3 HIS 79 3HB HIS 79 -4.136 -16.812 17.376 650 HD1 HIS 79 HD1 HIS 79 -3.524 -16.995 19.782 651 HD2 HIS 79 HD2 HIS 79 -5.345 -13.350 18.936 652 HE1 HIS 79 HE1 HIS 79 -3.694 -15.789 21.979 653 HE2 HIS 79 HE2 HIS 79 -4.966 -13.684 21.460 654 H HIS 80 H HIS 80 -1.973 -13.076 16.224 655 HA HIS 80 HA HIS 80 0.255 -14.321 17.670 656 HB2 HIS 80 2HB HIS 80 0.470 -13.169 14.846 657 HB3 HIS 80 3HB HIS 80 1.855 -13.522 15.866 658 HD1 HIS 80 HD1 HIS 80 2.161 -16.133 16.499 659 HD2 HIS 80 HD2 HIS 80 -0.370 -15.311 13.313 660 HE1 HIS 80 HE1 HIS 80 1.926 -18.292 15.257 661 HE2 HIS 80 HE2 HIS 80 0.195 -17.820 13.491 662 H HIS 81 H HIS 81 2.107 -12.490 17.644 663 HA HIS 81 HA HIS 81 0.897 -9.886 18.360 664 HB2 HIS 81 2HB HIS 81 1.096 -11.081 20.458 665 HB3 HIS 81 3HB HIS 81 2.716 -11.638 20.065 666 HD1 HIS 81 HD1 HIS 81 0.945 -8.319 20.748 667 HD2 HIS 81 HD2 HIS 81 4.670 -10.110 21.194 668 HE1 HIS 81 HE1 HIS 81 2.353 -6.655 21.997 669 HE2 HIS 81 HE2 HIS 81 4.653 -7.679 22.048 670 H HIS 82 H HIS 82 1.849 -8.413 17.109 671 HA HIS 82 HA HIS 82 4.533 -8.688 16.033 672 HB2 HIS 82 2HB HIS 82 2.444 -6.470 15.856 673 HB3 HIS 82 3HB HIS 82 4.058 -6.296 15.170 674 HD1 HIS 82 HD1 HIS 82 2.320 -6.023 13.009 675 HD2 HIS 82 HD2 HIS 82 2.987 -9.840 14.475 676 HE1 HIS 82 HE1 HIS 82 1.764 -7.571 11.118 677 HE2 HIS 82 HE2 HIS 82 2.364 -9.856 11.976 678 H HIS 83 H HIS 83 5.872 -6.412 16.232 679 HA HIS 83 HA HIS 83 7.213 -6.793 18.628 680 HB2 HIS 83 2HB HIS 83 8.644 -4.937 18.048 681 HB3 HIS 83 3HB HIS 83 8.247 -5.807 16.578 682 HD1 HIS 83 HD1 HIS 83 7.823 -2.536 18.274 683 HD2 HIS 83 HD2 HIS 83 6.680 -4.322 14.712 684 HE1 HIS 83 HE1 HIS 83 6.987 -0.673 16.841 685 HE2 HIS 83 HE2 HIS 83 6.091 -1.810 14.783 Start of MODEL 9 1 H1 MET 1 1H MET 1 -13.773 -6.471 -6.223 2 H2 MET 1 2H MET 1 -14.802 -5.140 -6.136 3 H3 MET 1 3H MET 1 -14.101 -5.557 -7.610 4 HA MET 1 HA MET 1 -16.403 -6.180 -7.531 5 HB2 MET 1 2HB MET 1 -14.541 -8.597 -7.412 6 HB3 MET 1 3HB MET 1 -16.138 -8.568 -8.156 7 HG2 MET 1 2HG MET 1 -13.705 -7.016 -9.065 8 HG3 MET 1 3HG MET 1 -14.440 -8.402 -9.876 9 HE1 MET 1 3HE MET 1 -13.751 -5.516 -11.195 10 HE2 MET 1 1HE MET 1 -15.186 -5.217 -12.175 11 HE3 MET 1 2HE MET 1 -14.450 -6.818 -12.163 12 H GLY 2 H GLY 2 -14.503 -8.127 -5.166 13 HA2 GLY 2 2HA GLY 2 -16.761 -8.466 -3.368 14 HA3 GLY 2 3HA GLY 2 -15.091 -8.937 -3.081 15 H LEU 3 H LEU 3 -14.803 -8.019 -1.061 16 HA LEU 3 HA LEU 3 -15.643 -5.304 -0.478 17 HB2 LEU 3 2HB LEU 3 -14.059 -7.287 1.197 18 HB3 LEU 3 3HB LEU 3 -14.656 -5.737 1.773 19 HG LEU 3 HG LEU 3 -16.363 -8.105 0.908 20 HD11 LEU 3 1HD1 LEU 3 -15.303 -8.427 3.092 21 HD12 LEU 3 2HD1 LEU 3 -17.044 -8.233 3.256 22 HD13 LEU 3 3HD1 LEU 3 -15.966 -6.894 3.663 23 HD21 LEU 3 3HD2 LEU 3 -18.322 -6.796 1.627 24 HD22 LEU 3 1HD2 LEU 3 -17.490 -6.032 0.272 25 HD23 LEU 3 2HD2 LEU 3 -17.291 -5.390 1.903 26 H THR 4 H THR 4 -12.831 -6.717 -1.800 27 HA THR 4 HA THR 4 -10.972 -4.677 -0.845 28 HB THR 4 HB THR 4 -10.404 -6.969 -2.780 29 HG1 THR 4 HG1 THR 4 -9.506 -7.526 -0.340 30 HG21 THR 4 3HG2 THR 4 -8.660 -5.216 -2.687 31 HG22 THR 4 1HG2 THR 4 -8.086 -6.725 -1.973 32 HG23 THR 4 2HG2 THR 4 -8.574 -5.388 -0.933 33 H ARG 5 H ARG 5 -11.954 -2.844 -1.900 34 HA ARG 5 HA ARG 5 -12.161 -2.556 -4.745 35 HB2 ARG 5 2HB ARG 5 -12.298 -0.097 -4.282 36 HB3 ARG 5 3HB ARG 5 -13.438 -1.055 -3.344 37 HG2 ARG 5 2HG ARG 5 -12.086 -0.830 -1.346 38 HG3 ARG 5 3HG ARG 5 -10.792 -0.049 -2.256 39 HD2 ARG 5 2HD ARG 5 -13.580 1.101 -1.900 40 HD3 ARG 5 3HD ARG 5 -12.170 1.549 -0.938 41 HE ARG 5 HE ARG 5 -11.506 1.900 -3.629 42 HH11 ARG 5 1HH1 ARG 5 -13.712 3.363 -1.305 43 HH12 ARG 5 2HH1 ARG 5 -13.703 4.913 -2.082 44 HH21 ARG 5 1HH2 ARG 5 -11.501 3.926 -4.639 45 HH22 ARG 5 2HH2 ARG 5 -12.440 5.232 -3.988 46 H THR 6 H THR 6 -10.823 -0.984 -6.058 47 HA THR 6 HA THR 6 -7.933 -1.396 -5.474 48 HB THR 6 HB THR 6 -9.278 -1.485 -8.222 49 HG1 THR 6 HG1 THR 6 -8.097 -3.667 -6.822 50 HG21 THR 6 3HG2 THR 6 -6.410 -2.112 -7.413 51 HG22 THR 6 1HG2 THR 6 -6.931 -0.687 -8.320 52 HG23 THR 6 2HG2 THR 6 -7.093 -2.294 -9.027 53 H ILE 7 H ILE 7 -6.972 0.515 -5.158 54 HA ILE 7 HA ILE 7 -7.847 2.922 -6.671 55 HB ILE 7 HB ILE 7 -6.210 2.809 -4.092 56 HG12 ILE 7 2HG1 ILE 7 -9.155 3.499 -4.485 57 HG13 ILE 7 3HG1 ILE 7 -8.535 2.045 -3.714 58 HG21 ILE 7 1HG2 ILE 7 -5.708 4.807 -5.446 59 HG22 ILE 7 2HG2 ILE 7 -6.575 5.242 -3.976 60 HG23 ILE 7 3HG2 ILE 7 -7.431 5.204 -5.518 61 HD11 ILE 7 3HD1 ILE 7 -8.229 4.861 -2.688 62 HD12 ILE 7 1HD1 ILE 7 -7.569 3.406 -1.930 63 HD13 ILE 7 2HD1 ILE 7 -9.314 3.611 -2.078 64 H THR 8 H THR 8 -6.595 3.292 -8.372 65 HA THR 8 HA THR 8 -3.756 2.450 -8.450 66 HB THR 8 HB THR 8 -4.089 2.705 -10.998 67 HG1 THR 8 HG1 THR 8 -6.359 3.778 -10.278 68 HG21 THR 8 3HG2 THR 8 -5.776 0.623 -9.550 69 HG22 THR 8 1HG2 THR 8 -4.081 0.464 -10.018 70 HG23 THR 8 2HG2 THR 8 -5.329 0.549 -11.257 71 H SER 9 H SER 9 -2.489 4.168 -7.889 72 HA SER 9 HA SER 9 -2.996 6.798 -9.131 73 HB2 SER 9 2HB SER 9 -3.978 6.856 -6.834 74 HB3 SER 9 3HB SER 9 -2.405 6.432 -6.160 75 HG SER 9 HG SER 9 -3.228 8.808 -6.517 76 H GLN 10 H GLN 10 -1.198 8.048 -9.443 77 HA GLN 10 HA GLN 10 1.396 6.726 -9.569 78 HB2 GLN 10 2HB GLN 10 0.727 9.587 -10.397 79 HB3 GLN 10 3HB GLN 10 2.074 8.589 -10.942 80 HG2 GLN 10 2HG GLN 10 0.469 7.094 -12.109 81 HG3 GLN 10 3HG GLN 10 -0.852 8.141 -11.598 82 HE21 GLN 10 1HE2 GLN 10 1.831 7.772 -13.774 83 HE22 GLN 10 2HE2 GLN 10 1.485 9.142 -14.770 84 H ASN 11 H ASN 11 -0.287 8.500 -7.312 85 HA ASN 11 HA ASN 11 2.131 9.509 -5.932 86 HB2 ASN 11 2HB ASN 11 0.391 11.233 -6.359 87 HB3 ASN 11 3HB ASN 11 -0.824 10.237 -5.561 88 HD21 ASN 11 1HD2 ASN 11 -1.313 11.664 -3.904 89 HD22 ASN 11 2HD2 ASN 11 -0.182 12.139 -2.687 90 H LYS 12 H LYS 12 2.840 8.030 -4.439 91 HA LYS 12 HA LYS 12 1.099 5.959 -3.438 92 HB2 LYS 12 2HB LYS 12 3.064 5.009 -2.338 93 HB3 LYS 12 3HB LYS 12 3.368 5.358 -4.023 94 HG2 LYS 12 2HG LYS 12 5.361 6.044 -3.118 95 HG3 LYS 12 3HG LYS 12 4.474 7.569 -3.053 96 HD2 LYS 12 2HD LYS 12 3.964 7.214 -0.690 97 HD3 LYS 12 3HD LYS 12 4.704 5.611 -0.733 98 HE2 LYS 12 2HE LYS 12 6.221 7.195 0.307 99 HE3 LYS 12 3HE LYS 12 6.893 6.654 -1.227 100 HZ1 LYS 12 3HZ LYS 12 6.240 8.712 -2.235 101 HZ2 LYS 12 1HZ LYS 12 7.149 9.040 -0.849 102 HZ3 LYS 12 2HZ LYS 12 5.470 9.226 -0.824 103 H GLU 13 H GLU 13 2.039 9.083 -2.320 104 HA GLU 13 HA GLU 13 2.069 8.694 0.464 105 HB2 GLU 13 2HB GLU 13 1.450 11.173 -1.203 106 HB3 GLU 13 3HB GLU 13 1.499 11.202 0.558 107 HG2 GLU 13 2HG GLU 13 3.625 11.932 0.086 108 HG3 GLU 13 3HG GLU 13 3.926 10.207 0.224 109 H GLU 14 H GLU 14 -0.573 9.902 -1.629 110 HA GLU 14 HA GLU 14 -2.631 9.902 0.265 111 HB2 GLU 14 2HB GLU 14 -4.198 9.880 -1.652 112 HB3 GLU 14 3HB GLU 14 -2.881 11.025 -1.888 113 HG2 GLU 14 2HG GLU 14 -1.749 9.430 -3.389 114 HG3 GLU 14 3HG GLU 14 -3.053 8.271 -3.137 115 H LEU 15 H LEU 15 -1.253 7.238 -1.582 116 HA LEU 15 HA LEU 15 -3.379 5.346 -1.210 117 HB2 LEU 15 2HB LEU 15 -0.430 4.870 -1.830 118 HB3 LEU 15 3HB LEU 15 -1.660 3.619 -1.870 119 HG LEU 15 HG LEU 15 -1.527 6.039 -3.718 120 HD11 LEU 15 1HD1 LEU 15 0.208 4.391 -4.236 121 HD12 LEU 15 2HD1 LEU 15 -1.018 4.423 -5.500 122 HD13 LEU 15 3HD1 LEU 15 -1.003 3.107 -4.321 123 HD21 LEU 15 3HD2 LEU 15 -3.849 5.421 -3.288 124 HD22 LEU 15 1HD2 LEU 15 -3.505 3.742 -3.715 125 HD23 LEU 15 2HD2 LEU 15 -3.393 5.010 -4.938 126 H LEU 16 H LEU 16 -0.626 6.407 0.710 127 HA LEU 16 HA LEU 16 -0.588 4.189 2.569 128 HB2 LEU 16 2HB LEU 16 0.597 6.984 2.896 129 HB3 LEU 16 3HB LEU 16 1.018 5.562 3.838 130 HG LEU 16 HG LEU 16 1.632 5.982 0.894 131 HD11 LEU 16 1HD1 LEU 16 3.475 6.080 3.289 132 HD12 LEU 16 2HD1 LEU 16 2.972 7.441 2.283 133 HD13 LEU 16 3HD1 LEU 16 3.977 6.167 1.597 134 HD21 LEU 16 3HD2 LEU 16 3.004 3.948 1.036 135 HD22 LEU 16 1HD2 LEU 16 1.300 3.615 1.333 136 HD23 LEU 16 2HD2 LEU 16 2.430 3.673 2.684 137 H GLU 17 H GLU 17 -1.821 7.510 2.487 138 HA GLU 17 HA GLU 17 -2.950 7.691 5.058 139 HB2 GLU 17 2HB GLU 17 -3.765 9.109 2.488 140 HB3 GLU 17 3HB GLU 17 -4.255 9.602 4.109 141 HG2 GLU 17 2HG GLU 17 -1.883 10.019 4.693 142 HG3 GLU 17 3HG GLU 17 -1.405 9.534 3.068 143 H ILE 18 H ILE 18 -4.435 6.710 1.970 144 HA ILE 18 HA ILE 18 -7.051 6.254 3.040 145 HB ILE 18 HB ILE 18 -5.929 5.143 0.415 146 HG12 ILE 18 2HG1 ILE 18 -7.542 7.722 0.740 147 HG13 ILE 18 3HG1 ILE 18 -5.788 7.695 0.623 148 HG21 ILE 18 1HG2 ILE 18 -8.328 5.078 -0.287 149 HG22 ILE 18 2HG2 ILE 18 -8.798 5.597 1.330 150 HG23 ILE 18 3HG2 ILE 18 -8.010 4.036 1.104 151 HD11 ILE 18 3HD1 ILE 18 -5.926 6.721 -1.602 152 HD12 ILE 18 1HD1 ILE 18 -6.815 8.238 -1.506 153 HD13 ILE 18 2HD1 ILE 18 -7.690 6.707 -1.503 154 H ALA 19 H ALA 19 -4.135 4.316 2.636 155 HA ALA 19 HA ALA 19 -5.133 1.732 3.106 156 HB1 ALA 19 3HB ALA 19 -2.813 2.167 2.428 157 HB2 ALA 19 1HB ALA 19 -2.863 1.191 3.892 158 HB3 ALA 19 2HB ALA 19 -2.471 2.911 3.992 159 H LEU 20 H LEU 20 -3.742 4.061 5.414 160 HA LEU 20 HA LEU 20 -4.049 2.611 7.756 161 HB2 LEU 20 2HB LEU 20 -2.594 4.568 7.591 162 HB3 LEU 20 3HB LEU 20 -3.969 5.622 7.307 163 HG LEU 20 HG LEU 20 -4.752 5.220 9.649 164 HD11 LEU 20 1HD1 LEU 20 -2.199 3.635 10.026 165 HD12 LEU 20 2HD1 LEU 20 -3.844 2.994 10.042 166 HD13 LEU 20 3HD1 LEU 20 -3.328 4.116 11.298 167 HD21 LEU 20 3HD2 LEU 20 -3.043 6.556 10.796 168 HD22 LEU 20 1HD2 LEU 20 -3.348 7.173 9.171 169 HD23 LEU 20 2HD2 LEU 20 -1.893 6.229 9.496 170 H LYS 21 H LYS 21 -6.308 4.974 6.304 171 HA LYS 21 HA LYS 21 -8.191 4.959 8.426 172 HB2 LYS 21 2HB LYS 21 -9.686 6.169 6.968 173 HB3 LYS 21 3HB LYS 21 -8.054 6.756 6.684 174 HG2 LYS 21 2HG LYS 21 -7.927 5.409 4.631 175 HG3 LYS 21 3HG LYS 21 -9.566 4.826 4.901 176 HD2 LYS 21 2HD LYS 21 -8.814 7.747 4.469 177 HD3 LYS 21 3HD LYS 21 -9.420 6.670 3.212 178 HE2 LYS 21 2HE LYS 21 -11.550 6.426 4.404 179 HE3 LYS 21 3HE LYS 21 -10.950 7.436 5.725 180 HZ1 LYS 21 3HZ LYS 21 -11.308 8.325 2.905 181 HZ2 LYS 21 1HZ LYS 21 -10.756 9.288 4.180 182 HZ3 LYS 21 2HZ LYS 21 -12.342 8.702 4.188 183 H PHE 22 H PHE 22 -7.821 2.864 5.587 184 HA PHE 22 HA PHE 22 -10.415 1.592 5.873 185 HB2 PHE 22 2HB PHE 22 -8.081 1.246 4.000 186 HB3 PHE 22 3HB PHE 22 -9.095 -0.173 4.238 187 HD1 PHE 22 HD1 PHE 22 -9.332 3.478 3.374 188 HD2 PHE 22 HD2 PHE 22 -11.075 -0.406 2.965 189 HE1 PHE 22 HE1 PHE 22 -10.982 4.381 1.787 190 HE2 PHE 22 HE2 PHE 22 -12.713 0.503 1.372 191 HZ PHE 22 HZ PHE 22 -12.673 2.896 0.785 192 H ILE 23 H ILE 23 -7.099 0.822 6.826 193 HA ILE 23 HA ILE 23 -7.656 -1.851 7.720 194 HB ILE 23 HB ILE 23 -5.275 -0.033 8.368 195 HG12 ILE 23 2HG1 ILE 23 -5.482 -0.405 5.943 196 HG13 ILE 23 3HG1 ILE 23 -4.083 -1.270 6.559 197 HG21 ILE 23 1HG2 ILE 23 -5.514 -3.054 8.672 198 HG22 ILE 23 2HG2 ILE 23 -5.435 -1.879 9.986 199 HG23 ILE 23 3HG2 ILE 23 -4.046 -2.106 8.924 200 HD11 ILE 23 3HD1 ILE 23 -6.756 -2.484 5.856 201 HD12 ILE 23 1HD1 ILE 23 -5.353 -3.367 6.470 202 HD13 ILE 23 2HD1 ILE 23 -5.277 -2.562 4.905 203 H SER 24 H SER 24 -7.532 1.360 9.212 204 HA SER 24 HA SER 24 -7.916 0.638 11.917 205 HB2 SER 24 2HB SER 24 -7.154 2.880 11.216 206 HB3 SER 24 3HB SER 24 -8.718 3.200 10.470 207 HG SER 24 HG SER 24 -8.382 2.581 13.219 208 H GLN 25 H GLN 25 -10.212 1.151 9.256 209 HA GLN 25 HA GLN 25 -12.575 0.716 10.898 210 HB2 GLN 25 2HB GLN 25 -12.203 0.909 7.880 211 HB3 GLN 25 3HB GLN 25 -13.767 0.679 8.657 212 HG2 GLN 25 2HG GLN 25 -13.579 2.847 9.773 213 HG3 GLN 25 3HG GLN 25 -11.960 3.073 9.105 214 HE21 GLN 25 1HE2 GLN 25 -11.744 3.566 6.885 215 HE22 GLN 25 2HE2 GLN 25 -13.078 4.107 5.927 216 H GLY 26 H GLY 26 -10.194 -1.325 9.722 217 HA2 GLY 26 2HA GLY 26 -9.973 -3.612 9.794 218 HA3 GLY 26 3HA GLY 26 -11.609 -3.719 10.426 219 H LEU 27 H LEU 27 -10.752 -2.166 7.421 220 HA LEU 27 HA LEU 27 -12.475 -4.011 5.902 221 HB2 LEU 27 2HB LEU 27 -11.575 -1.160 5.292 222 HB3 LEU 27 3HB LEU 27 -12.589 -2.131 4.234 223 HG LEU 27 HG LEU 27 -13.351 -1.167 7.017 224 HD11 LEU 27 1HD1 LEU 27 -13.319 0.667 5.407 225 HD12 LEU 27 2HD1 LEU 27 -14.972 0.281 5.876 226 HD13 LEU 27 3HD1 LEU 27 -14.357 -0.246 4.307 227 HD21 LEU 27 3HD2 LEU 27 -14.395 -3.325 6.565 228 HD22 LEU 27 1HD2 LEU 27 -15.004 -2.740 5.016 229 HD23 LEU 27 2HD2 LEU 27 -15.606 -2.046 6.526 230 H ASP 28 H ASP 28 -11.868 -4.161 3.543 231 HA ASP 28 HA ASP 28 -9.026 -4.888 3.231 232 HB2 ASP 28 2HB ASP 28 -11.506 -5.730 1.653 233 HB3 ASP 28 3HB ASP 28 -9.868 -6.277 1.311 234 H LEU 29 H LEU 29 -7.786 -3.765 1.783 235 HA LEU 29 HA LEU 29 -9.032 -2.104 -0.303 236 HB2 LEU 29 2HB LEU 29 -8.695 -0.587 1.629 237 HB3 LEU 29 3HB LEU 29 -7.009 -1.071 1.739 238 HG LEU 29 HG LEU 29 -6.626 -0.092 -0.560 239 HD11 LEU 29 1HD1 LEU 29 -8.261 1.413 -1.528 240 HD12 LEU 29 2HD1 LEU 29 -9.421 1.020 -0.259 241 HD13 LEU 29 3HD1 LEU 29 -8.913 -0.218 -1.411 242 HD21 LEU 29 3HD2 LEU 29 -7.658 1.847 1.521 243 HD22 LEU 29 1HD2 LEU 29 -6.606 2.247 0.158 244 HD23 LEU 29 2HD2 LEU 29 -6.028 1.174 1.431 245 H GLU 30 H GLU 30 -8.089 -2.790 -2.137 246 HA GLU 30 HA GLU 30 -5.237 -3.499 -2.247 247 HB2 GLU 30 2HB GLU 30 -6.918 -4.898 -3.481 248 HB3 GLU 30 3HB GLU 30 -7.355 -3.498 -4.456 249 HG2 GLU 30 2HG GLU 30 -5.062 -3.411 -5.372 250 HG3 GLU 30 3HG GLU 30 -4.609 -4.807 -4.390 251 H VAL 31 H VAL 31 -3.754 -2.084 -2.981 252 HA VAL 31 HA VAL 31 -4.565 0.279 -4.567 253 HB VAL 31 HB VAL 31 -2.676 1.563 -3.340 254 HG11 VAL 31 1HG1 VAL 31 -5.194 0.878 -1.774 255 HG12 VAL 31 2HG1 VAL 31 -5.022 2.138 -2.998 256 HG13 VAL 31 3HG1 VAL 31 -4.150 2.273 -1.475 257 HG21 VAL 31 3HG2 VAL 31 -2.140 0.865 -1.030 258 HG22 VAL 31 1HG2 VAL 31 -1.612 -0.346 -2.200 259 HG23 VAL 31 2HG2 VAL 31 -3.074 -0.619 -1.252 260 H GLU 32 H GLU 32 -3.537 0.279 -6.451 261 HA GLU 32 HA GLU 32 -0.899 -1.035 -6.729 262 HB2 GLU 32 2HB GLU 32 -2.566 -1.937 -8.288 263 HB3 GLU 32 3HB GLU 32 -2.932 -0.322 -8.890 264 HG2 GLU 32 2HG GLU 32 -0.611 -0.127 -9.765 265 HG3 GLU 32 3HG GLU 32 -0.248 -1.734 -9.145 266 H PHE 33 H PHE 33 0.771 0.231 -6.912 267 HA PHE 33 HA PHE 33 0.517 3.113 -7.179 268 HB2 PHE 33 2HB PHE 33 1.907 2.127 -5.363 269 HB3 PHE 33 3HB PHE 33 2.925 1.336 -6.565 270 HD1 PHE 33 HD1 PHE 33 1.624 4.842 -6.756 271 HD2 PHE 33 HD2 PHE 33 5.003 2.330 -5.987 272 HE1 PHE 33 HE1 PHE 33 3.091 6.810 -6.722 273 HE2 PHE 33 HE2 PHE 33 6.451 4.306 -5.962 274 HZ PHE 33 HZ PHE 33 5.501 6.545 -6.332 275 H ASP 34 H ASP 34 0.408 3.828 -9.208 276 HA ASP 34 HA ASP 34 1.609 2.452 -11.474 277 HB2 ASP 34 2HB ASP 34 -0.698 3.340 -11.666 278 HB3 ASP 34 3HB ASP 34 -0.110 4.968 -11.340 279 H SER 35 H SER 35 3.797 2.753 -10.772 280 HA SER 35 HA SER 35 5.039 5.157 -11.832 281 HB2 SER 35 2HB SER 35 4.596 5.797 -9.468 282 HB3 SER 35 3HB SER 35 5.479 4.377 -8.917 283 HG SER 35 HG SER 35 6.662 6.433 -8.958 284 H THR 36 H THR 36 7.381 4.970 -11.907 285 HA THR 36 HA THR 36 8.457 2.212 -11.834 286 HB THR 36 HB THR 36 9.757 2.763 -13.934 287 HG1 THR 36 HG1 THR 36 7.927 4.922 -14.270 288 HG21 THR 36 3HG2 THR 36 6.736 2.867 -14.291 289 HG22 THR 36 1HG2 THR 36 7.705 1.398 -14.136 290 HG23 THR 36 2HG2 THR 36 7.912 2.448 -15.539 291 H ASP 37 H ASP 37 8.632 4.974 -10.255 292 HA ASP 37 HA ASP 37 11.533 5.409 -10.275 293 HB2 ASP 37 2HB ASP 37 10.054 7.393 -10.039 294 HB3 ASP 37 3HB ASP 37 9.354 6.715 -8.568 295 H ASP 38 H ASP 38 12.659 3.945 -9.261 296 HA ASP 38 HA ASP 38 11.999 1.926 -7.597 297 HB2 ASP 38 2HB ASP 38 14.655 3.439 -7.503 298 HB3 ASP 38 3HB ASP 38 14.392 1.793 -6.933 299 H LYS 39 H LYS 39 13.120 5.130 -6.496 300 HA LYS 39 HA LYS 39 13.337 4.574 -3.751 301 HB2 LYS 39 2HB LYS 39 12.810 7.219 -5.166 302 HB3 LYS 39 3HB LYS 39 13.214 7.084 -3.458 303 HG2 LYS 39 2HG LYS 39 15.410 6.170 -3.994 304 HG3 LYS 39 3HG LYS 39 15.023 6.149 -5.717 305 HD2 LYS 39 2HD LYS 39 15.159 8.668 -4.002 306 HD3 LYS 39 3HD LYS 39 16.462 8.101 -5.047 307 HE2 LYS 39 2HE LYS 39 15.059 8.404 -7.022 308 HE3 LYS 39 3HE LYS 39 13.680 8.844 -6.019 309 HZ1 LYS 39 3HZ LYS 39 16.207 10.383 -6.309 310 HZ2 LYS 39 1HZ LYS 39 14.953 10.794 -5.257 311 HZ3 LYS 39 2HZ LYS 39 14.697 10.817 -6.927 312 H GLU 40 H GLU 40 10.616 5.922 -5.627 313 HA GLU 40 HA GLU 40 8.915 6.480 -3.423 314 HB2 GLU 40 2HB GLU 40 8.340 6.114 -6.391 315 HB3 GLU 40 3HB GLU 40 7.094 6.541 -5.230 316 HG2 GLU 40 2HG GLU 40 9.528 8.178 -5.943 317 HG3 GLU 40 3HG GLU 40 7.857 8.516 -6.388 318 H ILE 41 H ILE 41 9.256 3.699 -5.598 319 HA ILE 41 HA ILE 41 7.030 2.196 -4.746 320 HB ILE 41 HB ILE 41 9.666 1.304 -6.015 321 HG12 ILE 41 2HG1 ILE 41 6.894 1.718 -7.248 322 HG13 ILE 41 3HG1 ILE 41 8.244 2.830 -7.407 323 HG21 ILE 41 1HG2 ILE 41 8.689 -0.610 -4.839 324 HG22 ILE 41 2HG2 ILE 41 8.523 -0.824 -6.582 325 HG23 ILE 41 3HG2 ILE 41 7.132 -0.322 -5.620 326 HD11 ILE 41 3HD1 ILE 41 9.494 1.123 -8.644 327 HD12 ILE 41 1HD1 ILE 41 7.961 1.531 -9.413 328 HD13 ILE 41 2HD1 ILE 41 8.117 0.026 -8.507 329 H GLU 42 H GLU 42 10.424 2.243 -3.646 330 HA GLU 42 HA GLU 42 10.248 0.086 -1.798 331 HB2 GLU 42 2HB GLU 42 12.220 2.405 -1.942 332 HB3 GLU 42 3HB GLU 42 12.414 0.995 -0.899 333 HG2 GLU 42 2HG GLU 42 12.614 -0.484 -2.799 334 HG3 GLU 42 3HG GLU 42 12.189 0.816 -3.913 335 H GLU 43 H GLU 43 9.891 3.598 -1.417 336 HA GLU 43 HA GLU 43 9.477 3.652 1.382 337 HB2 GLU 43 2HB GLU 43 8.528 5.533 -0.814 338 HB3 GLU 43 3HB GLU 43 8.353 5.879 0.901 339 HG2 GLU 43 2HG GLU 43 10.980 5.486 -0.548 340 HG3 GLU 43 3HG GLU 43 10.276 7.037 -0.100 341 H PHE 44 H PHE 44 7.298 3.134 -1.350 342 HA PHE 44 HA PHE 44 4.809 3.213 0.009 343 HB2 PHE 44 2HB PHE 44 4.967 3.466 -2.426 344 HB3 PHE 44 3HB PHE 44 5.698 1.881 -2.591 345 HD1 PHE 44 HD1 PHE 44 2.508 3.441 -1.297 346 HD2 PHE 44 HD2 PHE 44 4.314 0.153 -3.352 347 HE1 PHE 44 HE1 PHE 44 0.279 2.503 -1.777 348 HE2 PHE 44 HE2 PHE 44 2.086 -0.779 -3.817 349 HZ PHE 44 HZ PHE 44 0.069 0.395 -3.035 350 H GLU 45 H GLU 45 7.083 0.596 -0.829 351 HA GLU 45 HA GLU 45 5.666 -1.631 0.107 352 HB2 GLU 45 2HB GLU 45 8.668 -1.156 -0.087 353 HB3 GLU 45 3HB GLU 45 7.958 -2.724 0.297 354 HG2 GLU 45 2HG GLU 45 6.807 -2.735 -1.871 355 HG3 GLU 45 3HG GLU 45 7.509 -1.168 -2.254 356 H ARG 46 H ARG 46 8.364 0.058 1.756 357 HA ARG 46 HA ARG 46 8.170 -1.537 4.085 358 HB2 ARG 46 2HB ARG 46 9.834 0.012 5.093 359 HB3 ARG 46 3HB ARG 46 10.297 -0.552 3.495 360 HG2 ARG 46 2HG ARG 46 9.539 1.618 2.537 361 HG3 ARG 46 3HG ARG 46 9.189 2.189 4.171 362 HD2 ARG 46 2HD ARG 46 11.402 2.953 3.244 363 HD3 ARG 46 3HD ARG 46 11.525 2.088 4.779 364 HE ARG 46 HE ARG 46 12.291 0.143 3.560 365 HH11 ARG 46 1HH1 ARG 46 12.405 3.147 1.728 366 HH12 ARG 46 2HH1 ARG 46 13.600 2.554 0.616 367 HH21 ARG 46 1HH2 ARG 46 13.833 -0.612 2.103 368 HH22 ARG 46 2HH2 ARG 46 14.403 0.423 0.833 369 H ASP 47 H ASP 47 6.769 1.641 3.307 370 HA ASP 47 HA ASP 47 5.711 2.186 5.850 371 HB2 ASP 47 2HB ASP 47 5.812 3.690 3.734 372 HB3 ASP 47 3HB ASP 47 4.291 2.935 3.266 373 H MET 48 H MET 48 4.204 0.414 3.087 374 HA MET 48 HA MET 48 1.762 -0.257 4.399 375 HB2 MET 48 2HB MET 48 3.190 -1.640 2.086 376 HB3 MET 48 3HB MET 48 1.593 -2.119 2.655 377 HG2 MET 48 2HG MET 48 2.336 0.571 1.498 378 HG3 MET 48 3HG MET 48 1.411 -0.701 0.694 379 HE1 MET 48 3HE MET 48 -1.362 1.972 1.275 380 HE2 MET 48 1HE MET 48 -0.585 0.898 0.113 381 HE3 MET 48 2HE MET 48 0.313 2.248 0.802 382 H GLU 49 H GLU 49 4.877 -1.903 4.225 383 HA GLU 49 HA GLU 49 4.214 -4.308 5.554 384 HB2 GLU 49 2HB GLU 49 6.894 -2.868 5.281 385 HB3 GLU 49 3HB GLU 49 6.715 -4.469 5.993 386 HG2 GLU 49 2HG GLU 49 5.786 -5.294 3.840 387 HG3 GLU 49 3HG GLU 49 6.063 -3.701 3.139 388 H ASP 50 H ASP 50 5.433 -1.177 6.689 389 HA ASP 50 HA ASP 50 5.913 -1.900 9.387 390 HB2 ASP 50 2HB ASP 50 6.864 0.161 8.300 391 HB3 ASP 50 3HB ASP 50 5.257 0.886 8.284 392 H LEU 51 H LEU 51 3.163 -0.391 7.713 393 HA LEU 51 HA LEU 51 1.362 -0.110 9.837 394 HB2 LEU 51 2HB LEU 51 1.005 0.953 7.651 395 HB3 LEU 51 3HB LEU 51 0.848 -0.612 6.872 396 HG LEU 51 HG LEU 51 -1.286 -1.011 8.105 397 HD11 LEU 51 1HD1 LEU 51 -0.875 0.276 10.134 398 HD12 LEU 51 2HD1 LEU 51 -2.380 0.784 9.372 399 HD13 LEU 51 3HD1 LEU 51 -0.935 1.787 9.220 400 HD21 LEU 51 3HD2 LEU 51 -2.681 0.633 6.900 401 HD22 LEU 51 1HD2 LEU 51 -1.403 -0.025 5.874 402 HD23 LEU 51 2HD2 LEU 51 -1.244 1.599 6.551 403 H ALA 52 H ALA 52 2.031 -2.891 7.689 404 HA ALA 52 HA ALA 52 0.012 -4.622 8.496 405 HB1 ALA 52 3HB ALA 52 1.476 -5.049 6.569 406 HB2 ALA 52 1HB ALA 52 1.412 -6.438 7.653 407 HB3 ALA 52 2HB ALA 52 2.827 -5.378 7.658 408 H LYS 53 H LYS 53 3.319 -4.294 9.876 409 HA LYS 53 HA LYS 53 2.851 -6.130 12.010 410 HB2 LYS 53 2HB LYS 53 4.956 -3.977 11.651 411 HB3 LYS 53 3HB LYS 53 4.841 -4.896 13.144 412 HG2 LYS 53 2HG LYS 53 6.363 -6.253 12.095 413 HG3 LYS 53 3HG LYS 53 4.908 -6.978 11.418 414 HD2 LYS 53 2HD LYS 53 6.484 -6.655 9.619 415 HD3 LYS 53 3HD LYS 53 5.188 -5.474 9.405 416 HE2 LYS 53 2HE LYS 53 6.625 -3.731 10.451 417 HE3 LYS 53 3HE LYS 53 7.916 -4.918 10.638 418 HZ1 LYS 53 3HZ LYS 53 6.771 -4.014 8.059 419 HZ2 LYS 53 1HZ LYS 53 8.006 -5.148 8.241 420 HZ3 LYS 53 2HZ LYS 53 8.261 -3.542 8.693 421 H LYS 54 H LYS 54 2.558 -2.555 11.894 422 HA LYS 54 HA LYS 54 2.073 -1.909 14.535 423 HB2 LYS 54 2HB LYS 54 0.795 -0.675 12.049 424 HB3 LYS 54 3HB LYS 54 0.678 0.034 13.657 425 HG2 LYS 54 2HG LYS 54 3.157 0.284 13.703 426 HG3 LYS 54 3HG LYS 54 3.228 -0.371 12.066 427 HD2 LYS 54 2HD LYS 54 3.328 2.033 11.892 428 HD3 LYS 54 3HD LYS 54 1.743 1.521 11.308 429 HE2 LYS 54 2HE LYS 54 1.581 3.523 12.725 430 HE3 LYS 54 3HE LYS 54 0.740 2.163 13.472 431 HZ1 LYS 54 3HZ LYS 54 2.626 1.820 14.922 432 HZ2 LYS 54 1HZ LYS 54 2.099 3.420 15.054 433 HZ3 LYS 54 2HZ LYS 54 3.489 3.060 14.164 434 H THR 55 H THR 55 -0.322 -2.913 12.116 435 HA THR 55 HA THR 55 -2.471 -2.969 14.112 436 HB THR 55 HB THR 55 -3.955 -3.323 12.116 437 HG1 THR 55 HG1 THR 55 -1.965 -2.647 10.304 438 HG21 THR 55 3HG2 THR 55 -3.493 -1.015 12.903 439 HG22 THR 55 1HG2 THR 55 -3.695 -1.065 11.152 440 HG23 THR 55 2HG2 THR 55 -2.078 -0.938 11.848 441 H GLY 56 H GLY 56 -0.176 -5.132 12.849 442 HA2 GLY 56 2HA GLY 56 0.085 -7.393 13.066 443 HA3 GLY 56 3HA GLY 56 -1.377 -7.438 14.035 444 H VAL 57 H VAL 57 -1.367 -6.162 10.754 445 HA VAL 57 HA VAL 57 -2.972 -8.454 9.792 446 HB VAL 57 HB VAL 57 -3.821 -7.040 8.047 447 HG11 VAL 57 1HG1 VAL 57 -3.774 -5.409 10.606 448 HG12 VAL 57 2HG1 VAL 57 -4.892 -6.723 10.229 449 HG13 VAL 57 3HG1 VAL 57 -4.935 -5.235 9.284 450 HG21 VAL 57 3HG2 VAL 57 -1.787 -5.824 7.403 451 HG22 VAL 57 1HG2 VAL 57 -1.859 -4.868 8.884 452 HG23 VAL 57 2HG2 VAL 57 -3.119 -4.696 7.655 453 H GLN 58 H GLN 58 -2.546 -8.803 7.311 454 HA GLN 58 HA GLN 58 0.371 -8.819 6.764 455 HB2 GLN 58 2HB GLN 58 -1.769 -10.792 5.837 456 HB3 GLN 58 3HB GLN 58 -0.075 -10.849 5.366 457 HG2 GLN 58 2HG GLN 58 -1.117 -11.190 8.194 458 HG3 GLN 58 3HG GLN 58 -0.620 -12.495 7.124 459 HE21 GLN 58 1HE2 GLN 58 0.472 -9.941 9.207 460 HE22 GLN 58 2HE2 GLN 58 2.149 -10.349 9.168 461 H ILE 59 H ILE 59 1.012 -8.530 4.523 462 HA ILE 59 HA ILE 59 -0.976 -7.095 2.838 463 HB ILE 59 HB ILE 59 0.818 -5.846 1.800 464 HG12 ILE 59 2HG1 ILE 59 2.831 -7.353 3.544 465 HG13 ILE 59 3HG1 ILE 59 2.567 -7.656 1.831 466 HG21 ILE 59 1HG2 ILE 59 -0.033 -4.926 3.925 467 HG22 ILE 59 2HG2 ILE 59 1.658 -4.492 3.681 468 HG23 ILE 59 3HG2 ILE 59 1.230 -5.779 4.812 469 HD11 ILE 59 3HD1 ILE 59 3.321 -5.387 1.310 470 HD12 ILE 59 1HD1 ILE 59 4.544 -6.317 2.174 471 HD13 ILE 59 2HD1 ILE 59 3.609 -5.090 3.028 472 H GLN 60 H GLN 60 -0.438 -7.269 0.434 473 HA GLN 60 HA GLN 60 0.714 -9.887 -0.334 474 HB2 GLN 60 2HB GLN 60 -1.818 -10.000 -0.213 475 HB3 GLN 60 3HB GLN 60 -1.904 -8.711 -1.409 476 HG2 GLN 60 2HG GLN 60 -2.291 -10.768 -2.561 477 HG3 GLN 60 3HG GLN 60 -0.673 -10.235 -3.015 478 HE21 GLN 60 1HE2 GLN 60 1.117 -11.448 -2.271 479 HE22 GLN 60 2HE2 GLN 60 0.945 -13.026 -1.595 480 H LYS 61 H LYS 61 2.573 -9.034 -1.298 481 HA LYS 61 HA LYS 61 2.424 -6.797 -3.161 482 HB2 LYS 61 2HB LYS 61 4.766 -8.590 -2.362 483 HB3 LYS 61 3HB LYS 61 4.889 -7.243 -3.492 484 HG2 LYS 61 2HG LYS 61 4.154 -5.697 -1.652 485 HG3 LYS 61 3HG LYS 61 4.224 -7.068 -0.536 486 HD2 LYS 61 2HD LYS 61 6.644 -7.361 -1.064 487 HD3 LYS 61 3HD LYS 61 6.566 -5.978 -2.160 488 HE2 LYS 61 2HE LYS 61 6.004 -4.509 -0.251 489 HE3 LYS 61 3HE LYS 61 6.091 -5.895 0.839 490 HZ1 LYS 61 3HZ LYS 61 8.135 -4.581 0.841 491 HZ2 LYS 61 1HZ LYS 61 8.343 -4.874 -0.808 492 HZ3 LYS 61 2HZ LYS 61 8.419 -6.155 0.288 493 H GLN 62 H GLN 62 1.932 -7.081 -5.234 494 HA GLN 62 HA GLN 62 2.756 -9.513 -6.686 495 HB2 GLN 62 2HB GLN 62 0.281 -9.578 -6.261 496 HB3 GLN 62 3HB GLN 62 0.112 -8.001 -7.029 497 HG2 GLN 62 2HG GLN 62 1.040 -9.014 -9.151 498 HG3 GLN 62 3HG GLN 62 1.000 -10.586 -8.350 499 HE21 GLN 62 1HE2 GLN 62 -0.422 -11.386 -9.909 500 HE22 GLN 62 2HE2 GLN 62 -2.087 -10.939 -9.972 501 H TRP 63 H TRP 63 4.159 -8.889 -8.196 502 HA TRP 63 HA TRP 63 4.279 -6.117 -9.150 503 HB2 TRP 63 2HB TRP 63 6.142 -8.517 -9.480 504 HB3 TRP 63 3HB TRP 63 6.412 -6.961 -10.268 505 HD1 TRP 63 HD1 TRP 63 6.425 -8.553 -6.731 506 HE1 TRP 63 HE1 TRP 63 7.702 -6.980 -5.151 507 HE3 TRP 63 HE3 TRP 63 7.114 -4.577 -9.898 508 HZ2 TRP 63 HZ2 TRP 63 8.865 -4.408 -5.228 509 HZ3 TRP 63 HZ3 TRP 63 8.319 -2.600 -9.062 510 HH2 TRP 63 HH2 TRP 63 9.174 -2.523 -6.774 511 H GLN 64 H GLN 64 3.209 -5.589 -10.955 512 HA GLN 64 HA GLN 64 2.477 -7.639 -12.952 513 HB2 GLN 64 2HB GLN 64 0.613 -6.283 -11.777 514 HB3 GLN 64 3HB GLN 64 1.248 -4.853 -12.583 515 HG2 GLN 64 2HG GLN 64 -0.635 -5.661 -13.853 516 HG3 GLN 64 3HG GLN 64 0.828 -5.981 -14.791 517 HE21 GLN 64 1HE2 GLN 64 -0.044 -7.687 -15.974 518 HE22 GLN 64 2HE2 GLN 64 -0.498 -9.193 -15.262 519 H GLY 65 H GLY 65 4.582 -7.551 -13.860 520 HA2 GLY 65 2HA GLY 65 6.096 -6.920 -15.456 521 HA3 GLY 65 3HA GLY 65 5.072 -5.548 -15.853 522 H ASN 66 H ASN 66 5.198 -3.676 -14.387 523 HA ASN 66 HA ASN 66 7.758 -3.283 -12.962 524 HB2 ASN 66 2HB ASN 66 6.761 -1.597 -15.299 525 HB3 ASN 66 3HB ASN 66 7.864 -0.932 -14.100 526 HD21 ASN 66 1HD2 ASN 66 9.454 -0.585 -15.643 527 HD22 ASN 66 2HD2 ASN 66 10.374 -1.864 -16.348 528 H LYS 67 H LYS 67 4.567 -3.320 -12.616 529 HA LYS 67 HA LYS 67 4.314 -0.796 -11.071 530 HB2 LYS 67 2HB LYS 67 2.098 -2.489 -12.330 531 HB3 LYS 67 3HB LYS 67 1.860 -1.000 -11.421 532 HG2 LYS 67 2HG LYS 67 3.334 -1.221 -14.058 533 HG3 LYS 67 3HG LYS 67 1.668 -0.671 -13.864 534 HD2 LYS 67 2HD LYS 67 2.417 1.270 -12.580 535 HD3 LYS 67 3HD LYS 67 4.088 0.695 -12.617 536 HE2 LYS 67 2HE LYS 67 4.189 1.014 -15.029 537 HE3 LYS 67 3HE LYS 67 2.476 1.446 -15.080 538 HZ1 LYS 67 3HZ LYS 67 4.535 2.980 -13.586 539 HZ2 LYS 67 1HZ LYS 67 2.915 3.416 -13.826 540 HZ3 LYS 67 2HZ LYS 67 3.987 3.375 -15.135 541 H LEU 68 H LEU 68 3.973 -1.044 -8.897 542 HA LEU 68 HA LEU 68 3.793 -3.793 -7.857 543 HB2 LEU 68 2HB LEU 68 5.621 -2.467 -6.979 544 HB3 LEU 68 3HB LEU 68 4.528 -1.168 -6.518 545 HG LEU 68 HG LEU 68 3.464 -2.669 -4.827 546 HD11 LEU 68 1HD1 LEU 68 5.597 -4.693 -5.561 547 HD12 LEU 68 2HD1 LEU 68 3.863 -4.851 -5.843 548 HD13 LEU 68 3HD1 LEU 68 4.481 -4.804 -4.196 549 HD21 LEU 68 3HD2 LEU 68 5.256 -1.157 -4.175 550 HD22 LEU 68 1HD2 LEU 68 6.456 -2.404 -4.521 551 HD23 LEU 68 2HD2 LEU 68 5.287 -2.635 -3.217 552 H ARG 69 H ARG 69 1.862 -4.505 -7.439 553 HA ARG 69 HA ARG 69 -0.298 -2.812 -6.357 554 HB2 ARG 69 2HB ARG 69 -0.978 -4.117 -8.260 555 HB3 ARG 69 3HB ARG 69 -0.173 -5.564 -7.665 556 HG2 ARG 69 2HG ARG 69 -1.850 -5.821 -5.906 557 HG3 ARG 69 3HG ARG 69 -2.632 -4.314 -6.386 558 HD2 ARG 69 2HD ARG 69 -2.341 -6.652 -8.305 559 HD3 ARG 69 3HD ARG 69 -3.697 -6.517 -7.189 560 HE ARG 69 HE ARG 69 -4.508 -4.654 -8.352 561 HH11 ARG 69 1HH1 ARG 69 -1.601 -5.903 -9.906 562 HH12 ARG 69 2HH1 ARG 69 -1.875 -5.040 -11.384 563 HH21 ARG 69 1HH2 ARG 69 -4.837 -3.507 -10.283 564 HH22 ARG 69 2HH2 ARG 69 -3.719 -3.680 -11.595 565 H ILE 70 H ILE 70 -0.284 -2.736 -4.149 566 HA ILE 70 HA ILE 70 0.338 -5.208 -2.626 567 HB ILE 70 HB ILE 70 0.500 -2.316 -1.626 568 HG12 ILE 70 2HG1 ILE 70 2.659 -4.433 -2.101 569 HG13 ILE 70 3HG1 ILE 70 2.451 -2.935 -2.995 570 HG21 ILE 70 1HG2 ILE 70 0.980 -4.904 -0.090 571 HG22 ILE 70 2HG2 ILE 70 -0.382 -3.807 0.141 572 HG23 ILE 70 3HG2 ILE 70 1.253 -3.276 0.535 573 HD11 ILE 70 3HD1 ILE 70 3.042 -1.659 -0.983 574 HD12 ILE 70 1HD1 ILE 70 4.313 -2.772 -1.482 575 HD13 ILE 70 2HD1 ILE 70 3.287 -3.173 -0.105 576 H ARG 71 H ARG 71 -1.439 -6.217 -2.045 577 HA ARG 71 HA ARG 71 -3.982 -4.815 -1.655 578 HB2 ARG 71 2HB ARG 71 -3.953 -6.814 -3.101 579 HB3 ARG 71 3HB ARG 71 -3.310 -7.789 -1.782 580 HG2 ARG 71 2HG ARG 71 -5.415 -7.369 -0.500 581 HG3 ARG 71 3HG ARG 71 -6.044 -6.471 -1.882 582 HD2 ARG 71 2HD ARG 71 -5.252 -9.400 -1.910 583 HD3 ARG 71 3HD ARG 71 -6.905 -8.792 -1.787 584 HE ARG 71 HE ARG 71 -5.935 -7.652 -4.075 585 HH11 ARG 71 1HH1 ARG 71 -6.263 -10.994 -2.977 586 HH12 ARG 71 2HH1 ARG 71 -6.453 -11.613 -4.587 587 HH21 ARG 71 1HH2 ARG 71 -6.217 -8.484 -6.147 588 HH22 ARG 71 2HH2 ARG 71 -6.430 -10.192 -6.381 589 H LEU 72 H LEU 72 -4.755 -4.471 0.310 590 HA LEU 72 HA LEU 72 -3.269 -5.354 2.719 591 HB2 LEU 72 2HB LEU 72 -4.956 -2.850 2.287 592 HB3 LEU 72 3HB LEU 72 -4.024 -3.230 3.727 593 HG LEU 72 HG LEU 72 -2.759 -2.754 1.003 594 HD11 LEU 72 1HD1 LEU 72 -3.952 -0.747 1.710 595 HD12 LEU 72 2HD1 LEU 72 -2.207 -0.515 1.764 596 HD13 LEU 72 3HD1 LEU 72 -3.107 -0.775 3.262 597 HD21 LEU 72 3HD2 LEU 72 -1.557 -2.834 3.784 598 HD22 LEU 72 1HD2 LEU 72 -0.690 -2.432 2.299 599 HD23 LEU 72 2HD2 LEU 72 -1.358 -4.048 2.519 600 H LYS 73 H LYS 73 -4.448 -6.217 4.383 601 HA LYS 73 HA LYS 73 -7.396 -6.476 4.073 602 HB2 LYS 73 2HB LYS 73 -7.154 -8.798 4.933 603 HB3 LYS 73 3HB LYS 73 -6.304 -8.547 3.418 604 HG2 LYS 73 2HG LYS 73 -4.217 -8.117 5.030 605 HG3 LYS 73 3HG LYS 73 -5.190 -9.060 6.161 606 HD2 LYS 73 2HD LYS 73 -3.684 -10.560 4.996 607 HD3 LYS 73 3HD LYS 73 -5.327 -10.896 4.451 608 HE2 LYS 73 2HE LYS 73 -4.840 -9.417 2.434 609 HE3 LYS 73 3HE LYS 73 -3.158 -9.375 2.963 610 HZ1 LYS 73 3HZ LYS 73 -3.532 -11.081 1.288 611 HZ2 LYS 73 1HZ LYS 73 -4.686 -11.831 2.264 612 HZ3 LYS 73 2HZ LYS 73 -3.072 -11.787 2.750 613 H GLY 74 H GLY 74 -8.541 -7.000 6.092 614 HA2 GLY 74 2HA GLY 74 -7.783 -5.168 8.177 615 HA3 GLY 74 3HA GLY 74 -9.245 -6.139 8.107 616 H SER 75 H SER 75 -7.547 -8.647 7.737 617 HA SER 75 HA SER 75 -5.864 -9.039 9.992 618 HB2 SER 75 2HB SER 75 -8.038 -8.811 11.234 619 HB3 SER 75 3HB SER 75 -8.696 -10.168 10.324 620 HG SER 75 HG SER 75 -7.406 -11.541 11.408 621 H LEU 76 H LEU 76 -5.236 -11.301 10.291 622 HA LEU 76 HA LEU 76 -6.430 -13.349 8.578 623 HB2 LEU 76 2HB LEU 76 -3.477 -12.645 8.528 624 HB3 LEU 76 3HB LEU 76 -3.948 -14.325 8.340 625 HG LEU 76 HG LEU 76 -4.607 -12.018 6.474 626 HD11 LEU 76 1HD1 LEU 76 -3.043 -14.581 6.013 627 HD12 LEU 76 2HD1 LEU 76 -2.363 -12.963 6.210 628 HD13 LEU 76 3HD1 LEU 76 -3.372 -13.323 4.816 629 HD21 LEU 76 3HD2 LEU 76 -5.656 -14.865 6.308 630 HD22 LEU 76 1HD2 LEU 76 -5.838 -13.621 5.067 631 HD23 LEU 76 2HD2 LEU 76 -6.609 -13.416 6.635 632 H GLU 77 H GLU 77 -6.299 -15.399 9.431 633 HA GLU 77 HA GLU 77 -5.831 -15.766 12.262 634 HB2 GLU 77 2HB GLU 77 -6.273 -17.890 10.115 635 HB3 GLU 77 3HB GLU 77 -6.527 -18.077 11.848 636 HG2 GLU 77 2HG GLU 77 -8.487 -16.696 11.807 637 HG3 GLU 77 3HG GLU 77 -8.139 -16.132 10.171 638 H HIS 78 H HIS 78 -4.054 -16.157 9.303 639 HA HIS 78 HA HIS 78 -2.103 -18.063 10.224 640 HB2 HIS 78 2HB HIS 78 -2.238 -16.366 7.705 641 HB3 HIS 78 3HB HIS 78 -0.946 -17.519 8.028 642 HD1 HIS 78 HD1 HIS 78 -1.607 -20.069 8.069 643 HD2 HIS 78 HD2 HIS 78 -4.626 -17.513 6.799 644 HE1 HIS 78 HE1 HIS 78 -3.343 -21.540 7.016 645 HE2 HIS 78 HE2 HIS 78 -5.231 -19.998 6.440 646 H HIS 79 H HIS 79 -2.432 -14.839 10.938 647 HA HIS 79 HA HIS 79 0.437 -14.463 11.505 648 HB2 HIS 79 2HB HIS 79 -0.888 -12.563 10.469 649 HB3 HIS 79 3HB HIS 79 -1.898 -12.519 11.906 650 HD1 HIS 79 HD1 HIS 79 1.584 -11.722 10.713 651 HD2 HIS 79 HD2 HIS 79 -0.795 -11.106 14.058 652 HE1 HIS 79 HE1 HIS 79 2.788 -10.006 12.093 653 HE2 HIS 79 HE2 HIS 79 1.412 -9.769 14.175 654 H HIS 80 H HIS 80 0.959 -15.622 13.288 655 HA HIS 80 HA HIS 80 -0.919 -16.750 15.056 656 HB2 HIS 80 2HB HIS 80 2.112 -16.570 15.288 657 HB3 HIS 80 3HB HIS 80 1.106 -17.539 16.360 658 HD1 HIS 80 HD1 HIS 80 2.979 -17.760 13.285 659 HD2 HIS 80 HD2 HIS 80 -0.361 -19.641 14.876 660 HE1 HIS 80 HE1 HIS 80 2.664 -19.843 11.920 661 HE2 HIS 80 HE2 HIS 80 0.540 -20.855 12.789 662 H HIS 81 H HIS 81 -1.830 -16.027 16.862 663 HA HIS 81 HA HIS 81 -1.223 -13.444 18.007 664 HB2 HIS 81 2HB HIS 81 -3.125 -15.581 19.087 665 HB3 HIS 81 3HB HIS 81 -3.101 -13.874 19.523 666 HD1 HIS 81 HD1 HIS 81 -4.146 -16.212 16.792 667 HD2 HIS 81 HD2 HIS 81 -4.402 -12.161 17.685 668 HE1 HIS 81 HE1 HIS 81 -5.768 -15.257 15.133 669 HE2 HIS 81 HE2 HIS 81 -5.842 -12.797 15.643 670 H HIS 82 H HIS 82 0.722 -13.385 19.003 671 HA HIS 82 HA HIS 82 1.894 -15.661 20.342 672 HB2 HIS 82 2HB HIS 82 2.905 -12.787 20.149 673 HB3 HIS 82 3HB HIS 82 3.846 -14.184 20.662 674 HD1 HIS 82 HD1 HIS 82 3.455 -12.130 17.830 675 HD2 HIS 82 HD2 HIS 82 3.769 -16.235 18.359 676 HE1 HIS 82 HE1 HIS 82 4.205 -13.043 15.617 677 HE2 HIS 82 HE2 HIS 82 4.612 -15.482 16.044 678 H HIS 83 H HIS 83 2.341 -15.897 22.511 679 HA HIS 83 HA HIS 83 1.447 -13.889 24.474 680 HB2 HIS 83 2HB HIS 83 0.627 -16.835 24.492 681 HB3 HIS 83 3HB HIS 83 0.509 -15.793 25.905 682 HD1 HIS 83 HD1 HIS 83 -1.643 -17.155 23.563 683 HD2 HIS 83 HD2 HIS 83 -1.088 -13.264 24.924 684 HE1 HIS 83 HE1 HIS 83 -3.777 -15.939 23.034 685 HE2 HIS 83 HE2 HIS 83 -3.435 -13.610 23.906 Start of MODEL 10 1 H1 MET 1 1H MET 1 -21.731 -6.089 -0.341 2 H2 MET 1 2H MET 1 -21.218 -5.566 -1.861 3 H3 MET 1 3H MET 1 -22.745 -5.127 -1.298 4 HA MET 1 HA MET 1 -21.157 -3.297 -1.144 5 HB2 MET 1 2HB MET 1 -21.943 -4.413 1.592 6 HB3 MET 1 3HB MET 1 -21.570 -2.730 1.229 7 HG2 MET 1 2HG MET 1 -23.552 -2.567 -0.185 8 HG3 MET 1 3HG MET 1 -23.913 -4.276 0.095 9 HE1 MET 1 3HE MET 1 -26.399 -3.666 0.932 10 HE2 MET 1 1HE MET 1 -26.041 -1.976 0.574 11 HE3 MET 1 2HE MET 1 -26.719 -2.422 2.140 12 H GLY 2 H GLY 2 -19.424 -2.464 0.524 13 HA2 GLY 2 2HA GLY 2 -17.247 -2.490 1.216 14 HA3 GLY 2 3HA GLY 2 -17.499 -4.168 1.676 15 H LEU 3 H LEU 3 -17.310 -2.349 -1.395 16 HA LEU 3 HA LEU 3 -16.149 -4.559 -2.826 17 HB2 LEU 3 2HB LEU 3 -16.687 -1.678 -3.627 18 HB3 LEU 3 3HB LEU 3 -15.937 -2.832 -4.711 19 HG LEU 3 HG LEU 3 -18.249 -2.683 -5.325 20 HD11 LEU 3 1HD1 LEU 3 -17.880 -5.286 -3.806 21 HD12 LEU 3 2HD1 LEU 3 -17.312 -4.947 -5.441 22 HD13 LEU 3 3HD1 LEU 3 -19.041 -4.996 -5.105 23 HD21 LEU 3 3HD2 LEU 3 -19.031 -3.263 -2.441 24 HD22 LEU 3 1HD2 LEU 3 -20.141 -3.096 -3.804 25 HD23 LEU 3 2HD2 LEU 3 -19.191 -1.713 -3.271 26 H THR 4 H THR 4 -14.073 -5.086 -2.859 27 HA THR 4 HA THR 4 -11.991 -3.398 -1.795 28 HB THR 4 HB THR 4 -11.675 -6.013 -3.342 29 HG1 THR 4 HG1 THR 4 -11.694 -5.835 -0.525 30 HG21 THR 4 3HG2 THR 4 -9.851 -4.646 -1.319 31 HG22 THR 4 1HG2 THR 4 -9.551 -4.790 -3.049 32 HG23 THR 4 2HG2 THR 4 -9.573 -6.236 -2.035 33 H ARG 5 H ARG 5 -12.183 -1.591 -3.165 34 HA ARG 5 HA ARG 5 -11.834 -1.655 -6.009 35 HB2 ARG 5 2HB ARG 5 -11.592 0.818 -5.807 36 HB3 ARG 5 3HB ARG 5 -13.009 0.216 -4.957 37 HG2 ARG 5 2HG ARG 5 -11.810 0.397 -2.809 38 HG3 ARG 5 3HG ARG 5 -10.376 0.981 -3.656 39 HD2 ARG 5 2HD ARG 5 -13.073 2.371 -3.576 40 HD3 ARG 5 3HD ARG 5 -11.651 2.817 -2.628 41 HE ARG 5 HE ARG 5 -11.111 2.793 -5.439 42 HH11 ARG 5 1HH1 ARG 5 -12.533 4.770 -2.907 43 HH12 ARG 5 2HH1 ARG 5 -12.252 6.259 -3.751 44 HH21 ARG 5 1HH2 ARG 5 -10.737 4.749 -6.521 45 HH22 ARG 5 2HH2 ARG 5 -11.236 6.249 -5.800 46 H THR 6 H THR 6 -10.035 -0.577 -7.134 47 HA THR 6 HA THR 6 -7.386 -1.106 -5.914 48 HB THR 6 HB THR 6 -8.097 -1.172 -8.884 49 HG1 THR 6 HG1 THR 6 -7.433 -3.387 -7.197 50 HG21 THR 6 3HG2 THR 6 -5.514 -1.931 -7.456 51 HG22 THR 6 1HG2 THR 6 -5.749 -0.506 -8.465 52 HG23 THR 6 2HG2 THR 6 -5.826 -2.114 -9.184 53 H ILE 7 H ILE 7 -6.635 0.831 -5.278 54 HA ILE 7 HA ILE 7 -7.468 3.302 -6.626 55 HB ILE 7 HB ILE 7 -5.908 2.914 -4.024 56 HG12 ILE 7 2HG1 ILE 7 -8.864 3.611 -4.433 57 HG13 ILE 7 3HG1 ILE 7 -8.240 2.074 -3.841 58 HG21 ILE 7 1HG2 ILE 7 -7.118 5.468 -5.173 59 HG22 ILE 7 2HG2 ILE 7 -5.400 5.084 -5.085 60 HG23 ILE 7 3HG2 ILE 7 -6.318 5.316 -3.603 61 HD11 ILE 7 3HD1 ILE 7 -9.099 3.398 -2.036 62 HD12 ILE 7 1HD1 ILE 7 -8.030 4.734 -2.462 63 HD13 ILE 7 2HD1 ILE 7 -7.350 3.216 -1.864 64 H THR 8 H THR 8 -6.184 3.840 -8.295 65 HA THR 8 HA THR 8 -3.349 3.003 -8.360 66 HB THR 8 HB THR 8 -3.576 3.488 -10.852 67 HG1 THR 8 HG1 THR 8 -5.392 4.903 -10.701 68 HG21 THR 8 3HG2 THR 8 -4.922 1.491 -11.399 69 HG22 THR 8 1HG2 THR 8 -5.557 1.456 -9.746 70 HG23 THR 8 2HG2 THR 8 -3.843 1.166 -10.046 71 H SER 9 H SER 9 -2.143 4.626 -7.471 72 HA SER 9 HA SER 9 -2.517 7.402 -8.415 73 HB2 SER 9 2HB SER 9 -3.629 7.233 -6.202 74 HB3 SER 9 3HB SER 9 -2.135 6.623 -5.492 75 HG SER 9 HG SER 9 -2.716 9.023 -5.422 76 H GLN 10 H GLN 10 -0.675 8.628 -8.477 77 HA GLN 10 HA GLN 10 1.885 7.253 -8.630 78 HB2 GLN 10 2HB GLN 10 1.106 10.150 -9.178 79 HB3 GLN 10 3HB GLN 10 2.692 9.448 -9.502 80 HG2 GLN 10 2HG GLN 10 1.754 7.957 -11.184 81 HG3 GLN 10 3HG GLN 10 0.117 8.483 -10.786 82 HE21 GLN 10 1HE2 GLN 10 -0.544 10.596 -11.402 83 HE22 GLN 10 2HE2 GLN 10 0.268 11.464 -12.657 84 H ASN 11 H ASN 11 0.171 8.682 -6.123 85 HA ASN 11 HA ASN 11 2.606 9.520 -4.669 86 HB2 ASN 11 2HB ASN 11 0.932 11.354 -5.022 87 HB3 ASN 11 3HB ASN 11 -0.285 10.404 -4.180 88 HD21 ASN 11 1HD2 ASN 11 2.434 12.495 -3.815 89 HD22 ASN 11 2HD2 ASN 11 2.448 12.542 -2.086 90 H LYS 12 H LYS 12 3.207 7.911 -3.330 91 HA LYS 12 HA LYS 12 1.421 5.817 -2.497 92 HB2 LYS 12 2HB LYS 12 3.443 4.853 -1.356 93 HB3 LYS 12 3HB LYS 12 3.619 5.140 -3.075 94 HG2 LYS 12 2HG LYS 12 5.672 5.844 -2.269 95 HG3 LYS 12 3HG LYS 12 4.788 7.366 -2.353 96 HD2 LYS 12 2HD LYS 12 4.322 7.195 0.088 97 HD3 LYS 12 3HD LYS 12 5.255 5.694 0.141 98 HE2 LYS 12 2HE LYS 12 7.256 6.951 -0.656 99 HE3 LYS 12 3HE LYS 12 6.308 8.438 -0.607 100 HZ1 LYS 12 3HZ LYS 12 6.852 6.706 1.736 101 HZ2 LYS 12 1HZ LYS 12 6.039 8.182 1.753 102 HZ3 LYS 12 2HZ LYS 12 7.683 8.130 1.373 103 H GLU 13 H GLU 13 2.328 8.790 -1.019 104 HA GLU 13 HA GLU 13 2.152 8.132 1.735 105 HB2 GLU 13 2HB GLU 13 1.610 10.767 0.302 106 HB3 GLU 13 3HB GLU 13 1.887 10.597 2.036 107 HG2 GLU 13 2HG GLU 13 4.179 9.994 1.712 108 HG3 GLU 13 3HG GLU 13 3.946 9.745 -0.019 109 H GLU 14 H GLU 14 -0.217 9.587 -0.502 110 HA GLU 14 HA GLU 14 -2.404 9.643 1.299 111 HB2 GLU 14 2HB GLU 14 -3.820 10.075 -0.698 112 HB3 GLU 14 3HB GLU 14 -2.389 11.103 -0.651 113 HG2 GLU 14 2HG GLU 14 -1.276 9.608 -2.298 114 HG3 GLU 14 3HG GLU 14 -2.727 8.607 -2.331 115 H LEU 15 H LEU 15 -1.174 7.131 -0.811 116 HA LEU 15 HA LEU 15 -3.372 5.349 -0.762 117 HB2 LEU 15 2HB LEU 15 -0.399 4.751 -1.003 118 HB3 LEU 15 3HB LEU 15 -1.666 3.556 -1.247 119 HG LEU 15 HG LEU 15 -1.205 6.039 -2.948 120 HD11 LEU 15 1HD1 LEU 15 0.480 4.308 -3.366 121 HD12 LEU 15 2HD1 LEU 15 -0.591 4.486 -4.751 122 HD13 LEU 15 3HD1 LEU 15 -0.788 3.113 -3.658 123 HD21 LEU 15 3HD2 LEU 15 -3.337 3.895 -3.252 124 HD22 LEU 15 1HD2 LEU 15 -3.004 5.182 -4.412 125 HD23 LEU 15 2HD2 LEU 15 -3.599 5.583 -2.806 126 H LEU 16 H LEU 16 -0.770 5.982 1.530 127 HA LEU 16 HA LEU 16 -1.281 3.828 3.374 128 HB2 LEU 16 2HB LEU 16 -0.118 6.556 4.093 129 HB3 LEU 16 3HB LEU 16 0.093 5.051 4.977 130 HG LEU 16 HG LEU 16 1.215 5.603 2.214 131 HD11 LEU 16 1HD1 LEU 16 3.395 5.840 3.301 132 HD12 LEU 16 2HD1 LEU 16 2.639 5.661 4.886 133 HD13 LEU 16 3HD1 LEU 16 2.256 7.057 3.875 134 HD21 LEU 16 3HD2 LEU 16 1.767 3.281 4.091 135 HD22 LEU 16 1HD2 LEU 16 2.546 3.573 2.531 136 HD23 LEU 16 2HD2 LEU 16 0.826 3.210 2.601 137 H GLU 17 H GLU 17 -2.202 7.234 3.237 138 HA GLU 17 HA GLU 17 -3.607 7.433 5.666 139 HB2 GLU 17 2HB GLU 17 -4.022 9.065 3.122 140 HB3 GLU 17 3HB GLU 17 -4.567 9.523 4.735 141 HG2 GLU 17 2HG GLU 17 -2.233 9.638 5.508 142 HG3 GLU 17 3HG GLU 17 -1.671 9.154 3.908 143 H ILE 18 H ILE 18 -4.890 6.858 2.383 144 HA ILE 18 HA ILE 18 -7.636 6.654 3.099 145 HB ILE 18 HB ILE 18 -6.260 5.440 0.641 146 HG12 ILE 18 2HG1 ILE 18 -7.681 8.153 0.842 147 HG13 ILE 18 3HG1 ILE 18 -5.935 7.946 0.865 148 HG21 ILE 18 1HG2 ILE 18 -9.214 6.059 1.134 149 HG22 ILE 18 2HG2 ILE 18 -8.482 4.458 1.018 150 HG23 ILE 18 3HG2 ILE 18 -8.527 5.502 -0.398 151 HD11 ILE 18 3HD1 ILE 18 -5.999 7.036 -1.395 152 HD12 ILE 18 1HD1 ILE 18 -6.723 8.642 -1.314 153 HD13 ILE 18 2HD1 ILE 18 -7.755 7.218 -1.423 154 H ALA 19 H ALA 19 -5.056 4.232 2.588 155 HA ALA 19 HA ALA 19 -6.641 1.916 2.780 156 HB1 ALA 19 3HB ALA 19 -4.372 1.903 1.884 157 HB2 ALA 19 1HB ALA 19 -4.560 0.711 3.167 158 HB3 ALA 19 2HB ALA 19 -3.717 2.229 3.490 159 H LEU 20 H LEU 20 -5.025 3.814 5.247 160 HA LEU 20 HA LEU 20 -5.161 2.139 7.466 161 HB2 LEU 20 2HB LEU 20 -3.868 4.271 7.332 162 HB3 LEU 20 3HB LEU 20 -5.373 5.177 7.397 163 HG LEU 20 HG LEU 20 -5.792 4.187 9.688 164 HD11 LEU 20 1HD1 LEU 20 -2.924 3.198 9.508 165 HD12 LEU 20 2HD1 LEU 20 -4.374 2.193 9.545 166 HD13 LEU 20 3HD1 LEU 20 -3.954 3.172 10.944 167 HD21 LEU 20 3HD2 LEU 20 -4.937 6.470 9.441 168 HD22 LEU 20 1HD2 LEU 20 -3.275 5.873 9.417 169 HD23 LEU 20 2HD2 LEU 20 -4.259 5.705 10.873 170 H LYS 21 H LYS 21 -7.599 4.283 6.116 171 HA LYS 21 HA LYS 21 -9.470 4.147 8.270 172 HB2 LYS 21 2HB LYS 21 -10.895 5.446 6.990 173 HB3 LYS 21 3HB LYS 21 -9.371 5.813 6.219 174 HG2 LYS 21 2HG LYS 21 -10.010 3.980 4.505 175 HG3 LYS 21 3HG LYS 21 -11.624 4.081 5.196 176 HD2 LYS 21 2HD LYS 21 -10.133 6.433 3.950 177 HD3 LYS 21 3HD LYS 21 -11.311 5.440 3.098 178 HE2 LYS 21 2HE LYS 21 -12.453 7.419 3.758 179 HE3 LYS 21 3HE LYS 21 -13.011 6.160 4.855 180 HZ1 LYS 21 3HZ LYS 21 -11.670 7.031 6.580 181 HZ2 LYS 21 1HZ LYS 21 -12.492 8.340 5.901 182 HZ3 LYS 21 2HZ LYS 21 -10.858 8.086 5.536 183 H PHE 22 H PHE 22 -8.889 2.117 5.450 184 HA PHE 22 HA PHE 22 -11.278 0.515 5.653 185 HB2 PHE 22 2HB PHE 22 -8.678 0.145 4.108 186 HB3 PHE 22 3HB PHE 22 -9.936 -1.088 4.111 187 HD1 PHE 22 HD1 PHE 22 -9.241 2.459 3.156 188 HD2 PHE 22 HD2 PHE 22 -11.877 -0.879 2.705 189 HE1 PHE 22 HE1 PHE 22 -10.422 3.623 1.337 190 HE2 PHE 22 HE2 PHE 22 -13.041 0.288 0.877 191 HZ PHE 22 HZ PHE 22 -12.317 2.540 0.194 192 H ILE 23 H ILE 23 -7.916 0.225 6.752 193 HA ILE 23 HA ILE 23 -8.057 -2.413 7.799 194 HB ILE 23 HB ILE 23 -6.232 -0.174 8.836 195 HG12 ILE 23 2HG1 ILE 23 -5.929 -0.227 6.428 196 HG13 ILE 23 3HG1 ILE 23 -4.527 -0.977 7.170 197 HG21 ILE 23 1HG2 ILE 23 -5.867 -3.201 8.871 198 HG22 ILE 23 2HG2 ILE 23 -6.210 -2.170 10.261 199 HG23 ILE 23 3HG2 ILE 23 -4.670 -2.021 9.417 200 HD11 ILE 23 3HD1 ILE 23 -5.442 -3.197 6.579 201 HD12 ILE 23 1HD1 ILE 23 -5.183 -2.171 5.168 202 HD13 ILE 23 2HD1 ILE 23 -6.812 -2.405 5.799 203 H SER 24 H SER 24 -8.541 0.794 9.176 204 HA SER 24 HA SER 24 -9.075 0.232 11.841 205 HB2 SER 24 2HB SER 24 -8.722 2.521 10.869 206 HB3 SER 24 3HB SER 24 -10.344 2.458 10.184 207 HG SER 24 HG SER 24 -9.707 2.241 12.942 208 H GLN 25 H GLN 25 -11.210 0.013 9.049 209 HA GLN 25 HA GLN 25 -13.605 -0.579 10.616 210 HB2 GLN 25 2HB GLN 25 -13.127 -0.513 7.610 211 HB3 GLN 25 3HB GLN 25 -14.697 -0.769 8.375 212 HG2 GLN 25 2HG GLN 25 -14.660 1.468 9.329 213 HG3 GLN 25 3HG GLN 25 -13.015 1.727 8.746 214 HE21 GLN 25 1HE2 GLN 25 -12.675 2.018 6.491 215 HE22 GLN 25 2HE2 GLN 25 -13.952 2.513 5.441 216 H GLY 26 H GLY 26 -11.002 -2.354 9.242 217 HA2 GLY 26 2HA GLY 26 -10.616 -4.673 9.298 218 HA3 GLY 26 3HA GLY 26 -12.313 -4.935 9.684 219 H LEU 27 H LEU 27 -12.024 -2.805 7.137 220 HA LEU 27 HA LEU 27 -12.878 -4.691 5.091 221 HB2 LEU 27 2HB LEU 27 -12.316 -1.697 4.941 222 HB3 LEU 27 3HB LEU 27 -12.988 -2.650 3.627 223 HG LEU 27 HG LEU 27 -14.358 -2.147 6.297 224 HD11 LEU 27 1HD1 LEU 27 -15.868 -0.641 5.049 225 HD12 LEU 27 2HD1 LEU 27 -14.897 -0.865 3.593 226 HD13 LEU 27 3HD1 LEU 27 -14.199 -0.073 5.009 227 HD21 LEU 27 3HD2 LEU 27 -15.424 -3.490 3.786 228 HD22 LEU 27 1HD2 LEU 27 -16.366 -3.107 5.232 229 HD23 LEU 27 2HD2 LEU 27 -15.059 -4.280 5.321 230 H ASP 28 H ASP 28 -11.556 -5.385 3.376 231 HA ASP 28 HA ASP 28 -8.709 -4.670 3.462 232 HB2 ASP 28 2HB ASP 28 -8.317 -6.500 1.943 233 HB3 ASP 28 3HB ASP 28 -9.374 -7.079 3.218 234 H LEU 29 H LEU 29 -7.619 -4.058 1.474 235 HA LEU 29 HA LEU 29 -9.183 -2.545 -0.486 236 HB2 LEU 29 2HB LEU 29 -8.785 -0.924 1.379 237 HB3 LEU 29 3HB LEU 29 -7.060 -1.245 1.290 238 HG LEU 29 HG LEU 29 -7.025 -0.305 -1.029 239 HD11 LEU 29 1HD1 LEU 29 -8.932 0.985 -1.880 240 HD12 LEU 29 2HD1 LEU 29 -9.917 0.451 -0.516 241 HD13 LEU 29 3HD1 LEU 29 -9.333 -0.721 -1.701 242 HD21 LEU 29 3HD2 LEU 29 -8.117 1.603 1.061 243 HD22 LEU 29 1HD2 LEU 29 -7.213 2.050 -0.388 244 HD23 LEU 29 2HD2 LEU 29 -6.434 1.110 0.880 245 H GLU 30 H GLU 30 -8.052 -2.282 -2.436 246 HA GLU 30 HA GLU 30 -5.298 -3.409 -2.528 247 HB2 GLU 30 2HB GLU 30 -7.186 -4.652 -3.742 248 HB3 GLU 30 3HB GLU 30 -7.318 -3.259 -4.815 249 HG2 GLU 30 2HG GLU 30 -5.119 -3.617 -5.688 250 HG3 GLU 30 3HG GLU 30 -4.742 -4.821 -4.455 251 H VAL 31 H VAL 31 -3.805 -1.848 -2.831 252 HA VAL 31 HA VAL 31 -4.504 0.593 -4.358 253 HB VAL 31 HB VAL 31 -2.678 1.774 -2.986 254 HG11 VAL 31 1HG1 VAL 31 -5.204 0.920 -1.522 255 HG12 VAL 31 2HG1 VAL 31 -5.044 2.277 -2.635 256 HG13 VAL 31 3HG1 VAL 31 -4.191 2.304 -1.095 257 HG21 VAL 31 3HG2 VAL 31 -1.599 -0.208 -1.999 258 HG22 VAL 31 1HG2 VAL 31 -3.072 -0.598 -1.109 259 HG23 VAL 31 2HG2 VAL 31 -2.171 0.874 -0.733 260 H GLU 32 H GLU 32 -3.413 0.778 -6.172 261 HA GLU 32 HA GLU 32 -0.889 -0.704 -6.557 262 HB2 GLU 32 2HB GLU 32 -2.652 -1.326 -8.179 263 HB3 GLU 32 3HB GLU 32 -2.856 0.359 -8.641 264 HG2 GLU 32 2HG GLU 32 -0.688 0.445 -9.651 265 HG3 GLU 32 3HG GLU 32 -0.223 -1.108 -8.966 266 H PHE 33 H PHE 33 0.834 0.505 -6.356 267 HA PHE 33 HA PHE 33 0.824 3.382 -6.607 268 HB2 PHE 33 2HB PHE 33 2.261 2.174 -4.943 269 HB3 PHE 33 3HB PHE 33 3.163 1.447 -6.268 270 HD1 PHE 33 HD1 PHE 33 1.985 4.948 -5.525 271 HD2 PHE 33 HD2 PHE 33 5.301 2.402 -6.402 272 HE1 PHE 33 HE1 PHE 33 3.484 6.890 -5.512 273 HE2 PHE 33 HE2 PHE 33 6.792 4.351 -6.383 274 HZ PHE 33 HZ PHE 33 5.889 6.598 -5.945 275 H ASP 34 H ASP 34 0.668 4.195 -8.586 276 HA ASP 34 HA ASP 34 1.365 2.716 -10.973 277 HB2 ASP 34 2HB ASP 34 -0.722 4.016 -10.888 278 HB3 ASP 34 3HB ASP 34 0.168 5.498 -10.537 279 H SER 35 H SER 35 3.573 2.524 -10.822 280 HA SER 35 HA SER 35 5.175 4.589 -11.975 281 HB2 SER 35 2HB SER 35 5.229 5.407 -9.626 282 HB3 SER 35 3HB SER 35 5.783 3.824 -9.080 283 HG SER 35 HG SER 35 7.426 5.536 -9.468 284 H THR 36 H THR 36 7.208 3.782 -12.629 285 HA THR 36 HA THR 36 7.710 0.874 -12.267 286 HB THR 36 HB THR 36 8.871 0.970 -14.485 287 HG1 THR 36 HG1 THR 36 9.367 3.179 -14.605 288 HG21 THR 36 3HG2 THR 36 6.500 0.248 -14.400 289 HG22 THR 36 1HG2 THR 36 6.855 1.101 -15.905 290 HG23 THR 36 2HG2 THR 36 5.980 1.921 -14.612 291 H ASP 37 H ASP 37 8.630 3.609 -10.959 292 HA ASP 37 HA ASP 37 11.542 3.540 -11.348 293 HB2 ASP 37 2HB ASP 37 10.430 5.751 -11.380 294 HB3 ASP 37 3HB ASP 37 9.759 5.470 -9.781 295 H ASP 38 H ASP 38 12.666 2.214 -10.062 296 HA ASP 38 HA ASP 38 11.678 0.592 -8.069 297 HB2 ASP 38 2HB ASP 38 14.572 1.445 -8.508 298 HB3 ASP 38 3HB ASP 38 14.090 0.152 -7.412 299 H LYS 39 H LYS 39 13.251 3.724 -7.641 300 HA LYS 39 HA LYS 39 13.907 3.499 -4.913 301 HB2 LYS 39 2HB LYS 39 13.482 5.988 -6.608 302 HB3 LYS 39 3HB LYS 39 14.126 6.011 -4.967 303 HG2 LYS 39 2HG LYS 39 16.011 4.572 -5.720 304 HG3 LYS 39 3HG LYS 39 15.388 4.669 -7.369 305 HD2 LYS 39 2HD LYS 39 17.254 6.267 -6.943 306 HD3 LYS 39 3HD LYS 39 15.766 7.074 -7.436 307 HE2 LYS 39 2HE LYS 39 16.935 8.250 -5.579 308 HE3 LYS 39 3HE LYS 39 15.309 7.737 -5.136 309 HZ1 LYS 39 3HZ LYS 39 16.863 7.271 -3.362 310 HZ2 LYS 39 1HZ LYS 39 17.836 6.354 -4.399 311 HZ3 LYS 39 2HZ LYS 39 16.283 5.816 -4.001 312 H GLU 40 H GLU 40 11.227 5.372 -6.374 313 HA GLU 40 HA GLU 40 9.971 5.940 -3.855 314 HB2 GLU 40 2HB GLU 40 8.054 6.790 -5.272 315 HB3 GLU 40 3HB GLU 40 9.621 7.502 -5.645 316 HG2 GLU 40 2HG GLU 40 9.827 5.926 -7.575 317 HG3 GLU 40 3HG GLU 40 8.205 5.334 -7.221 318 H ILE 41 H ILE 41 9.585 3.338 -6.216 319 HA ILE 41 HA ILE 41 7.307 2.065 -5.109 320 HB ILE 41 HB ILE 41 9.682 1.029 -6.711 321 HG12 ILE 41 2HG1 ILE 41 6.717 1.344 -7.420 322 HG13 ILE 41 3HG1 ILE 41 8.018 2.411 -7.938 323 HG21 ILE 41 1HG2 ILE 41 8.561 -1.156 -6.958 324 HG22 ILE 41 2HG2 ILE 41 7.331 -0.655 -5.797 325 HG23 ILE 41 3HG2 ILE 41 9.008 -0.837 -5.284 326 HD11 ILE 41 3HD1 ILE 41 7.344 0.930 -9.721 327 HD12 ILE 41 1HD1 ILE 41 7.675 -0.482 -8.717 328 HD13 ILE 41 2HD1 ILE 41 8.998 0.572 -9.229 329 H GLU 42 H GLU 42 10.756 1.892 -4.252 330 HA GLU 42 HA GLU 42 10.596 -0.190 -2.339 331 HB2 GLU 42 2HB GLU 42 12.631 2.044 -2.722 332 HB3 GLU 42 3HB GLU 42 12.804 0.808 -1.479 333 HG2 GLU 42 2HG GLU 42 12.918 -0.942 -3.163 334 HG3 GLU 42 3HG GLU 42 12.603 0.226 -4.440 335 H GLU 43 H GLU 43 10.419 3.332 -2.082 336 HA GLU 43 HA GLU 43 10.010 3.668 0.651 337 HB2 GLU 43 2HB GLU 43 8.745 5.196 -1.665 338 HB3 GLU 43 3HB GLU 43 8.688 5.721 0.016 339 HG2 GLU 43 2HG GLU 43 11.145 5.905 0.053 340 HG3 GLU 43 3HG GLU 43 11.204 5.362 -1.629 341 H PHE 44 H PHE 44 7.569 2.978 -1.895 342 HA PHE 44 HA PHE 44 5.286 2.918 -0.230 343 HB2 PHE 44 2HB PHE 44 5.180 3.154 -2.697 344 HB3 PHE 44 3HB PHE 44 5.774 1.510 -2.894 345 HD1 PHE 44 HD1 PHE 44 2.969 3.184 -0.949 346 HD2 PHE 44 HD2 PHE 44 4.105 0.035 -3.591 347 HE1 PHE 44 HE1 PHE 44 0.634 2.407 -1.049 348 HE2 PHE 44 HE2 PHE 44 1.780 -0.742 -3.677 349 HZ PHE 44 HZ PHE 44 0.043 0.448 -2.414 350 H GLU 45 H GLU 45 7.617 0.375 -1.090 351 HA GLU 45 HA GLU 45 6.318 -1.873 -0.022 352 HB2 GLU 45 2HB GLU 45 9.314 -1.310 -0.143 353 HB3 GLU 45 3HB GLU 45 8.609 -2.880 0.236 354 HG2 GLU 45 2HG GLU 45 7.500 -2.840 -2.017 355 HG3 GLU 45 3HG GLU 45 8.403 -1.374 -2.380 356 H ARG 46 H ARG 46 8.808 0.179 1.549 357 HA ARG 46 HA ARG 46 8.558 -1.159 4.062 358 HB2 ARG 46 2HB ARG 46 10.069 0.450 5.009 359 HB3 ARG 46 3HB ARG 46 10.659 0.001 3.418 360 HG2 ARG 46 2HG ARG 46 10.361 2.129 2.541 361 HG3 ARG 46 3HG ARG 46 8.972 2.478 3.569 362 HD2 ARG 46 2HD ARG 46 11.877 2.452 4.478 363 HD3 ARG 46 3HD ARG 46 10.890 3.890 4.186 364 HE ARG 46 HE ARG 46 9.768 2.042 6.120 365 HH11 ARG 46 1HH1 ARG 46 11.865 4.855 5.743 366 HH12 ARG 46 2HH1 ARG 46 11.684 5.341 7.398 367 HH21 ARG 46 1HH2 ARG 46 9.580 2.672 8.264 368 HH22 ARG 46 2HH2 ARG 46 10.388 4.104 8.829 369 H ASP 47 H ASP 47 7.209 1.885 2.858 370 HA ASP 47 HA ASP 47 5.988 2.804 5.179 371 HB2 ASP 47 2HB ASP 47 5.370 3.184 2.247 372 HB3 ASP 47 3HB ASP 47 4.210 3.768 3.427 373 H MET 48 H MET 48 4.754 0.455 2.811 374 HA MET 48 HA MET 48 2.281 -0.047 4.228 375 HB2 MET 48 2HB MET 48 3.605 -1.484 1.900 376 HB3 MET 48 3HB MET 48 2.130 -2.100 2.653 377 HG2 MET 48 2HG MET 48 2.478 0.596 1.324 378 HG3 MET 48 3HG MET 48 1.543 -0.776 0.720 379 HE1 MET 48 3HE MET 48 -1.349 1.712 1.705 380 HE2 MET 48 1HE MET 48 -0.641 0.731 0.420 381 HE3 MET 48 2HE MET 48 0.204 2.164 1.006 382 H GLU 49 H GLU 49 5.477 -1.519 4.274 383 HA GLU 49 HA GLU 49 4.844 -3.807 5.838 384 HB2 GLU 49 2HB GLU 49 7.449 -2.316 5.374 385 HB3 GLU 49 3HB GLU 49 7.368 -3.673 6.488 386 HG2 GLU 49 2HG GLU 49 6.455 -3.947 3.619 387 HG3 GLU 49 3HG GLU 49 8.149 -4.123 4.074 388 H ASP 50 H ASP 50 6.357 -0.738 6.885 389 HA ASP 50 HA ASP 50 6.227 -0.987 9.618 390 HB2 ASP 50 2HB ASP 50 6.039 1.484 7.833 391 HB3 ASP 50 3HB ASP 50 6.014 1.629 9.584 392 H LEU 51 H LEU 51 3.739 0.270 7.386 393 HA LEU 51 HA LEU 51 1.748 0.975 9.255 394 HB2 LEU 51 2HB LEU 51 1.662 1.574 6.844 395 HB3 LEU 51 3HB LEU 51 1.397 -0.111 6.426 396 HG LEU 51 HG LEU 51 -0.798 -0.060 7.584 397 HD11 LEU 51 1HD1 LEU 51 -0.266 2.894 8.074 398 HD12 LEU 51 2HD1 LEU 51 -0.378 1.629 9.299 399 HD13 LEU 51 3HD1 LEU 51 -1.798 2.058 8.354 400 HD21 LEU 51 3HD2 LEU 51 -0.501 2.133 5.488 401 HD22 LEU 51 1HD2 LEU 51 -2.009 1.326 5.937 402 HD23 LEU 51 2HD2 LEU 51 -0.716 0.411 5.172 403 H ALA 52 H ALA 52 2.241 -2.092 7.511 404 HA ALA 52 HA ALA 52 0.091 -3.550 8.575 405 HB1 ALA 52 3HB ALA 52 2.703 -4.607 7.460 406 HB2 ALA 52 1HB ALA 52 1.277 -4.179 6.517 407 HB3 ALA 52 2HB ALA 52 1.208 -5.530 7.647 408 H LYS 53 H LYS 53 3.426 -3.184 9.709 409 HA LYS 53 HA LYS 53 3.372 -5.114 11.777 410 HB2 LYS 53 2HB LYS 53 5.137 -2.801 11.062 411 HB3 LYS 53 3HB LYS 53 5.198 -3.295 12.741 412 HG2 LYS 53 2HG LYS 53 6.993 -4.393 11.690 413 HG3 LYS 53 3HG LYS 53 5.783 -5.642 11.938 414 HD2 LYS 53 2HD LYS 53 6.126 -4.214 9.272 415 HD3 LYS 53 3HD LYS 53 7.075 -5.630 9.705 416 HE2 LYS 53 2HE LYS 53 4.928 -6.891 9.999 417 HE3 LYS 53 3HE LYS 53 4.062 -5.492 9.374 418 HZ1 LYS 53 3HZ LYS 53 6.141 -7.036 7.893 419 HZ2 LYS 53 1HZ LYS 53 5.302 -5.701 7.284 420 HZ3 LYS 53 2HZ LYS 53 4.476 -7.135 7.625 421 H LYS 54 H LYS 54 2.843 -1.595 11.887 422 HA LYS 54 HA LYS 54 2.186 -1.480 14.660 423 HB2 LYS 54 2HB LYS 54 1.627 0.550 12.459 424 HB3 LYS 54 3HB LYS 54 1.551 0.876 14.189 425 HG2 LYS 54 2HG LYS 54 3.970 0.386 14.386 426 HG3 LYS 54 3HG LYS 54 4.043 0.062 12.657 427 HD2 LYS 54 2HD LYS 54 3.332 2.749 13.905 428 HD3 LYS 54 3HD LYS 54 4.918 2.315 13.277 429 HE2 LYS 54 2HE LYS 54 3.949 3.589 11.554 430 HE3 LYS 54 3HE LYS 54 3.705 1.927 11.020 431 HZ1 LYS 54 3HZ LYS 54 1.740 3.369 10.761 432 HZ2 LYS 54 1HZ LYS 54 1.664 3.554 12.437 433 HZ3 LYS 54 2HZ LYS 54 1.432 2.031 11.743 434 H THR 55 H THR 55 0.260 -2.273 11.868 435 HA THR 55 HA THR 55 -2.265 -2.027 13.390 436 HB THR 55 HB THR 55 -3.362 -2.652 11.191 437 HG1 THR 55 HG1 THR 55 -1.256 -2.043 9.613 438 HG21 THR 55 3HG2 THR 55 -3.133 -0.274 11.834 439 HG22 THR 55 1HG2 THR 55 -3.004 -0.494 10.090 440 HG23 THR 55 2HG2 THR 55 -1.551 -0.215 11.049 441 H GLY 56 H GLY 56 0.144 -4.342 12.612 442 HA2 GLY 56 2HA GLY 56 0.344 -6.571 13.183 443 HA3 GLY 56 3HA GLY 56 -1.208 -6.457 13.991 444 H VAL 57 H VAL 57 -0.922 -5.649 10.619 445 HA VAL 57 HA VAL 57 -2.493 -8.052 9.861 446 HB VAL 57 HB VAL 57 -3.542 -6.782 8.107 447 HG11 VAL 57 1HG1 VAL 57 -4.567 -6.543 10.318 448 HG12 VAL 57 2HG1 VAL 57 -4.786 -5.067 9.378 449 HG13 VAL 57 3HG1 VAL 57 -3.569 -5.124 10.655 450 HG21 VAL 57 3HG2 VAL 57 -1.689 -5.402 7.307 451 HG22 VAL 57 1HG2 VAL 57 -1.716 -4.441 8.789 452 HG23 VAL 57 2HG2 VAL 57 -3.075 -4.373 7.668 453 H GLN 58 H GLN 58 -2.263 -8.501 7.373 454 HA GLN 58 HA GLN 58 0.646 -8.608 6.717 455 HB2 GLN 58 2HB GLN 58 -1.609 -10.420 5.733 456 HB3 GLN 58 3HB GLN 58 0.109 -10.599 5.367 457 HG2 GLN 58 2HG GLN 58 0.557 -10.971 7.795 458 HG3 GLN 58 3HG GLN 58 -1.175 -10.863 8.102 459 HE21 GLN 58 1HE2 GLN 58 -2.526 -12.573 7.403 460 HE22 GLN 58 2HE2 GLN 58 -1.892 -14.127 6.996 461 H ILE 59 H ILE 59 1.315 -8.179 4.545 462 HA ILE 59 HA ILE 59 -0.610 -6.689 2.837 463 HB ILE 59 HB ILE 59 1.212 -5.447 1.886 464 HG12 ILE 59 2HG1 ILE 59 3.204 -7.164 3.456 465 HG13 ILE 59 3HG1 ILE 59 2.914 -7.279 1.722 466 HG21 ILE 59 1HG2 ILE 59 2.148 -4.226 3.796 467 HG22 ILE 59 2HG2 ILE 59 1.769 -5.571 4.872 468 HG23 ILE 59 3HG2 ILE 59 0.468 -4.656 4.123 469 HD11 ILE 59 3HD1 ILE 59 4.934 -6.040 2.196 470 HD12 ILE 59 1HD1 ILE 59 4.028 -4.887 3.173 471 HD13 ILE 59 2HD1 ILE 59 3.735 -4.995 1.435 472 H GLN 60 H GLN 60 -0.304 -6.978 0.493 473 HA GLN 60 HA GLN 60 0.881 -9.572 -0.317 474 HB2 GLN 60 2HB GLN 60 -1.612 -9.786 0.024 475 HB3 GLN 60 3HB GLN 60 -1.864 -8.520 -1.170 476 HG2 GLN 60 2HG GLN 60 -2.264 -10.704 -2.149 477 HG3 GLN 60 3HG GLN 60 -0.860 -9.954 -2.901 478 HE21 GLN 60 1HE2 GLN 60 -0.741 -11.552 0.278 479 HE22 GLN 60 2HE2 GLN 60 0.239 -12.878 -0.235 480 H LYS 61 H LYS 61 2.601 -8.746 -1.445 481 HA LYS 61 HA LYS 61 2.365 -6.433 -3.207 482 HB2 LYS 61 2HB LYS 61 4.708 -8.318 -2.674 483 HB3 LYS 61 3HB LYS 61 4.794 -6.893 -3.709 484 HG2 LYS 61 2HG LYS 61 4.274 -5.457 -1.739 485 HG3 LYS 61 3HG LYS 61 4.236 -6.899 -0.719 486 HD2 LYS 61 2HD LYS 61 6.623 -7.337 -1.268 487 HD3 LYS 61 3HD LYS 61 6.654 -5.881 -2.270 488 HE2 LYS 61 2HE LYS 61 6.306 -4.466 -0.329 489 HE3 LYS 61 3HE LYS 61 6.043 -5.874 0.709 490 HZ1 LYS 61 3HZ LYS 61 8.574 -5.246 -0.708 491 HZ2 LYS 61 1HZ LYS 61 8.322 -6.545 0.349 492 HZ3 LYS 61 2HZ LYS 61 8.280 -4.965 0.931 493 H GLN 62 H GLN 62 1.493 -6.707 -5.105 494 HA GLN 62 HA GLN 62 2.015 -9.083 -6.782 495 HB2 GLN 62 2HB GLN 62 -0.380 -8.829 -6.254 496 HB3 GLN 62 3HB GLN 62 -0.364 -7.153 -6.784 497 HG2 GLN 62 2HG GLN 62 -1.434 -8.571 -8.446 498 HG3 GLN 62 3HG GLN 62 0.049 -7.885 -9.106 499 HE21 GLN 62 1HE2 GLN 62 0.238 -9.489 -10.672 500 HE22 GLN 62 2HE2 GLN 62 0.657 -11.122 -10.299 501 H TRP 63 H TRP 63 3.877 -8.386 -7.773 502 HA TRP 63 HA TRP 63 4.195 -5.844 -9.044 503 HB2 TRP 63 2HB TRP 63 5.652 -8.489 -9.485 504 HB3 TRP 63 3HB TRP 63 6.135 -6.950 -10.196 505 HD1 TRP 63 HD1 TRP 63 6.246 -8.883 -6.892 506 HE1 TRP 63 HE1 TRP 63 7.754 -7.616 -5.242 507 HE3 TRP 63 HE3 TRP 63 6.922 -4.553 -9.553 508 HZ2 TRP 63 HZ2 TRP 63 9.077 -5.134 -5.088 509 HZ3 TRP 63 HZ3 TRP 63 8.326 -2.784 -8.570 510 HH2 TRP 63 HH2 TRP 63 9.378 -3.074 -6.385 511 H GLN 64 H GLN 64 2.585 -5.359 -10.463 512 HA GLN 64 HA GLN 64 1.683 -7.375 -12.427 513 HB2 GLN 64 2HB GLN 64 0.016 -6.212 -10.881 514 HB3 GLN 64 3HB GLN 64 0.385 -4.704 -11.707 515 HG2 GLN 64 2HG GLN 64 -1.685 -5.714 -12.528 516 HG3 GLN 64 3HG GLN 64 -0.474 -5.604 -13.807 517 HE21 GLN 64 1HE2 GLN 64 -1.522 -7.239 -15.004 518 HE22 GLN 64 2HE2 GLN 64 -1.459 -8.902 -14.541 519 H GLY 65 H GLY 65 3.227 -7.254 -13.969 520 HA2 GLY 65 2HA GLY 65 4.326 -6.484 -15.841 521 HA3 GLY 65 3HA GLY 65 3.520 -4.930 -15.664 522 H ASN 66 H ASN 66 4.283 -3.548 -13.921 523 HA ASN 66 HA ASN 66 6.834 -3.884 -12.633 524 HB2 ASN 66 2HB ASN 66 7.275 -3.153 -15.133 525 HB3 ASN 66 3HB ASN 66 6.677 -1.582 -14.635 526 HD21 ASN 66 1HD2 ASN 66 8.048 -1.756 -11.942 527 HD22 ASN 66 2HD2 ASN 66 9.714 -1.495 -12.296 528 H LYS 67 H LYS 67 3.924 -3.330 -12.205 529 HA LYS 67 HA LYS 67 3.975 -0.708 -10.819 530 HB2 LYS 67 2HB LYS 67 1.551 -2.445 -11.486 531 HB3 LYS 67 3HB LYS 67 1.529 -0.804 -10.858 532 HG2 LYS 67 2HG LYS 67 2.583 -1.557 -13.595 533 HG3 LYS 67 3HG LYS 67 0.923 -1.050 -13.285 534 HD2 LYS 67 2HD LYS 67 1.736 1.137 -12.481 535 HD3 LYS 67 3HD LYS 67 3.404 0.625 -12.771 536 HE2 LYS 67 2HE LYS 67 2.979 0.449 -15.168 537 HE3 LYS 67 3HE LYS 67 1.268 0.809 -14.927 538 HZ1 LYS 67 3HZ LYS 67 3.505 2.665 -14.321 539 HZ2 LYS 67 1HZ LYS 67 1.859 3.001 -14.161 540 HZ3 LYS 67 2HZ LYS 67 2.524 2.735 -15.688 541 H LEU 68 H LEU 68 4.019 -0.821 -8.552 542 HA LEU 68 HA LEU 68 3.890 -3.486 -7.358 543 HB2 LEU 68 2HB LEU 68 5.737 -1.981 -6.714 544 HB3 LEU 68 3HB LEU 68 4.580 -0.801 -6.111 545 HG LEU 68 HG LEU 68 3.818 -2.408 -4.388 546 HD11 LEU 68 1HD1 LEU 68 4.241 -4.534 -5.523 547 HD12 LEU 68 2HD1 LEU 68 5.025 -4.501 -3.947 548 HD13 LEU 68 3HD1 LEU 68 5.986 -4.275 -5.409 549 HD21 LEU 68 3HD2 LEU 68 5.636 -0.795 -3.892 550 HD22 LEU 68 1HD2 LEU 68 6.825 -2.026 -4.317 551 HD23 LEU 68 2HD2 LEU 68 5.755 -2.266 -2.933 552 H ARG 69 H ARG 69 1.780 -4.009 -7.426 553 HA ARG 69 HA ARG 69 -0.300 -2.318 -6.231 554 HB2 ARG 69 2HB ARG 69 -0.748 -3.495 -8.370 555 HB3 ARG 69 3HB ARG 69 -0.347 -5.041 -7.628 556 HG2 ARG 69 2HG ARG 69 -2.314 -4.814 -6.128 557 HG3 ARG 69 3HG ARG 69 -2.732 -3.291 -6.930 558 HD2 ARG 69 2HD ARG 69 -2.583 -6.029 -8.257 559 HD3 ARG 69 3HD ARG 69 -4.063 -5.174 -7.822 560 HE ARG 69 HE ARG 69 -2.129 -4.115 -9.808 561 HH11 ARG 69 1HH1 ARG 69 -5.447 -4.820 -8.899 562 HH12 ARG 69 2HH1 ARG 69 -6.110 -4.116 -10.345 563 HH21 ARG 69 1HH2 ARG 69 -3.006 -3.213 -11.684 564 HH22 ARG 69 2HH2 ARG 69 -4.732 -3.206 -11.914 565 H ILE 70 H ILE 70 -0.278 -2.411 -4.040 566 HA ILE 70 HA ILE 70 0.257 -4.989 -2.668 567 HB ILE 70 HB ILE 70 0.579 -2.157 -1.540 568 HG12 ILE 70 2HG1 ILE 70 2.629 -4.346 -2.205 569 HG13 ILE 70 3HG1 ILE 70 2.455 -2.792 -3.010 570 HG21 ILE 70 1HG2 ILE 70 1.362 -3.248 0.548 571 HG22 ILE 70 2HG2 ILE 70 0.989 -4.836 -0.129 572 HG23 ILE 70 3HG2 ILE 70 -0.307 -3.684 0.190 573 HD11 ILE 70 3HD1 ILE 70 4.379 -2.814 -1.551 574 HD12 ILE 70 1HD1 ILE 70 3.363 -3.226 -0.170 575 HD13 ILE 70 2HD1 ILE 70 3.183 -1.659 -0.962 576 H ARG 71 H ARG 71 -1.504 -5.971 -2.025 577 HA ARG 71 HA ARG 71 -3.983 -4.500 -1.472 578 HB2 ARG 71 2HB ARG 71 -4.003 -6.465 -3.026 579 HB3 ARG 71 3HB ARG 71 -3.470 -7.504 -1.707 580 HG2 ARG 71 2HG ARG 71 -5.552 -7.072 -0.486 581 HG3 ARG 71 3HG ARG 71 -6.085 -5.939 -1.734 582 HD2 ARG 71 2HD ARG 71 -6.067 -7.817 -3.388 583 HD3 ARG 71 3HD ARG 71 -5.628 -8.927 -2.086 584 HE ARG 71 HE ARG 71 -7.824 -8.048 -1.033 585 HH11 ARG 71 1HH1 ARG 71 -7.327 -8.598 -4.461 586 HH12 ARG 71 2HH1 ARG 71 -8.994 -8.964 -4.770 587 HH21 ARG 71 1HH2 ARG 71 -9.998 -8.528 -1.434 588 HH22 ARG 71 2HH2 ARG 71 -10.516 -8.924 -3.047 589 H LEU 72 H LEU 72 -4.506 -4.090 0.505 590 HA LEU 72 HA LEU 72 -3.122 -5.285 2.813 591 HB2 LEU 72 2HB LEU 72 -4.698 -2.684 2.629 592 HB3 LEU 72 3HB LEU 72 -3.865 -3.283 4.057 593 HG LEU 72 HG LEU 72 -2.583 -2.307 1.480 594 HD11 LEU 72 1HD1 LEU 72 -2.532 -1.182 4.297 595 HD12 LEU 72 2HD1 LEU 72 -3.383 -0.519 2.905 596 HD13 LEU 72 3HD1 LEU 72 -1.632 -0.550 2.915 597 HD21 LEU 72 3HD2 LEU 72 -0.412 -2.685 2.554 598 HD22 LEU 72 1HD2 LEU 72 -1.288 -4.196 2.332 599 HD23 LEU 72 2HD2 LEU 72 -1.210 -3.449 3.930 600 H LYS 73 H LYS 73 -4.329 -5.885 4.587 601 HA LYS 73 HA LYS 73 -7.282 -6.056 4.413 602 HB2 LYS 73 2HB LYS 73 -7.018 -8.367 5.419 603 HB3 LYS 73 3HB LYS 73 -6.391 -8.218 3.780 604 HG2 LYS 73 2HG LYS 73 -4.084 -7.716 5.026 605 HG3 LYS 73 3HG LYS 73 -4.871 -8.538 6.369 606 HD2 LYS 73 2HD LYS 73 -3.494 -10.106 5.079 607 HD3 LYS 73 3HD LYS 73 -5.199 -10.534 4.968 608 HE2 LYS 73 2HE LYS 73 -5.319 -9.450 2.752 609 HE3 LYS 73 3HE LYS 73 -3.600 -9.064 2.864 610 HZ1 LYS 73 3HZ LYS 73 -3.942 -11.032 1.562 611 HZ2 LYS 73 1HZ LYS 73 -4.778 -11.787 2.821 612 HZ3 LYS 73 2HZ LYS 73 -3.134 -11.438 2.987 613 H GLY 74 H GLY 74 -8.325 -6.258 6.539 614 HA2 GLY 74 2HA GLY 74 -6.745 -5.173 8.805 615 HA3 GLY 74 3HA GLY 74 -8.491 -5.041 8.605 616 H SER 75 H SER 75 -9.812 -6.806 8.969 617 HA SER 75 HA SER 75 -8.776 -8.978 10.624 618 HB2 SER 75 2HB SER 75 -11.271 -9.554 10.783 619 HB3 SER 75 3HB SER 75 -10.826 -7.982 11.440 620 HG SER 75 HG SER 75 -12.737 -8.182 9.933 621 H LEU 76 H LEU 76 -7.675 -10.372 9.313 622 HA LEU 76 HA LEU 76 -8.580 -11.157 6.669 623 HB2 LEU 76 2HB LEU 76 -6.185 -10.763 7.310 624 HB3 LEU 76 3HB LEU 76 -6.247 -12.160 8.362 625 HG LEU 76 HG LEU 76 -5.090 -12.334 6.011 626 HD11 LEU 76 1HD1 LEU 76 -5.636 -14.715 5.771 627 HD12 LEU 76 2HD1 LEU 76 -7.014 -14.534 6.859 628 HD13 LEU 76 3HD1 LEU 76 -5.372 -14.291 7.460 629 HD21 LEU 76 3HD2 LEU 76 -6.531 -13.006 4.134 630 HD22 LEU 76 1HD2 LEU 76 -6.937 -11.382 4.682 631 HD23 LEU 76 2HD2 LEU 76 -7.973 -12.744 5.115 632 H GLU 77 H GLU 77 -8.199 -12.680 9.833 633 HA GLU 77 HA GLU 77 -10.077 -14.838 9.131 634 HB2 GLU 77 2HB GLU 77 -8.514 -16.303 10.695 635 HB3 GLU 77 3HB GLU 77 -8.077 -16.069 9.012 636 HG2 GLU 77 2HG GLU 77 -6.135 -15.902 10.532 637 HG3 GLU 77 3HG GLU 77 -6.400 -14.445 9.583 638 H HIS 78 H HIS 78 -9.957 -16.057 11.715 639 HA HIS 78 HA HIS 78 -12.144 -14.817 12.875 640 HB2 HIS 78 2HB HIS 78 -11.844 -16.386 14.779 641 HB3 HIS 78 3HB HIS 78 -11.700 -17.188 13.226 642 HD1 HIS 78 HD1 HIS 78 -8.479 -15.922 13.375 643 HD2 HIS 78 HD2 HIS 78 -10.444 -18.764 15.688 644 HE1 HIS 78 HE1 HIS 78 -6.672 -17.320 14.405 645 HE2 HIS 78 HE2 HIS 78 -7.868 -18.913 15.935 646 H HIS 79 H HIS 79 -12.469 -13.208 14.229 647 HA HIS 79 HA HIS 79 -10.529 -12.255 16.198 648 HB2 HIS 79 2HB HIS 79 -11.289 -10.705 13.733 649 HB3 HIS 79 3HB HIS 79 -11.215 -9.788 15.227 650 HD1 HIS 79 HD1 HIS 79 -8.966 -11.800 12.915 651 HD2 HIS 79 HD2 HIS 79 -8.682 -9.146 16.098 652 HE1 HIS 79 HE1 HIS 79 -6.554 -11.121 13.021 653 HE2 HIS 79 HE2 HIS 79 -6.383 -9.681 15.061 654 H HIS 80 H HIS 80 -12.092 -12.989 17.739 655 HA HIS 80 HA HIS 80 -14.710 -11.744 17.899 656 HB2 HIS 80 2HB HIS 80 -13.064 -13.254 19.965 657 HB3 HIS 80 3HB HIS 80 -14.649 -12.578 20.321 658 HD1 HIS 80 HD1 HIS 80 -13.229 -15.672 19.568 659 HD2 HIS 80 HD2 HIS 80 -16.594 -13.687 18.169 660 HE1 HIS 80 HE1 HIS 80 -14.718 -17.461 18.644 661 HE2 HIS 80 HE2 HIS 80 -16.709 -16.237 17.719 662 H HIS 81 H HIS 81 -11.468 -11.037 18.943 663 HA HIS 81 HA HIS 81 -12.242 -8.390 19.987 664 HB2 HIS 81 2HB HIS 81 -10.252 -10.360 21.184 665 HB3 HIS 81 3HB HIS 81 -10.236 -8.647 21.596 666 HD1 HIS 81 HD1 HIS 81 -11.753 -7.943 23.452 667 HD2 HIS 81 HD2 HIS 81 -12.679 -11.737 22.030 668 HE1 HIS 81 HE1 HIS 81 -13.447 -8.864 25.059 669 HE2 HIS 81 HE2 HIS 81 -14.069 -11.118 24.124 670 H HIS 82 H HIS 82 -10.239 -6.952 20.094 671 HA HIS 82 HA HIS 82 -7.976 -7.623 18.402 672 HB2 HIS 82 2HB HIS 82 -8.163 -5.784 16.849 673 HB3 HIS 82 3HB HIS 82 -9.703 -6.627 16.796 674 HD1 HIS 82 HD1 HIS 82 -8.333 -3.331 17.019 675 HD2 HIS 82 HD2 HIS 82 -11.730 -5.188 18.494 676 HE1 HIS 82 HE1 HIS 82 -9.839 -1.472 17.734 677 HE2 HIS 82 HE2 HIS 82 -11.889 -2.604 18.644 678 H HIS 83 H HIS 83 -6.140 -6.648 19.224 679 HA HIS 83 HA HIS 83 -6.502 -4.819 21.524 680 HB2 HIS 83 2HB HIS 83 -5.276 -6.969 21.952 681 HB3 HIS 83 3HB HIS 83 -4.050 -6.486 20.784 682 HD1 HIS 83 HD1 HIS 83 -2.678 -4.224 21.457 683 HD2 HIS 83 HD2 HIS 83 -4.848 -6.038 24.505 684 HE1 HIS 83 HE1 HIS 83 -1.819 -3.221 23.592 685 HE2 HIS 83 HE2 HIS 83 -3.040 -4.440 25.424 Start of MODEL 11 1 H1 MET 1 1H MET 1 -20.381 -5.067 4.812 2 H2 MET 1 2H MET 1 -20.671 -5.762 3.302 3 H3 MET 1 3H MET 1 -21.553 -4.403 3.790 4 HA MET 1 HA MET 1 -19.872 -3.832 2.179 5 HB2 MET 1 2HB MET 1 -20.508 -2.124 3.835 6 HB3 MET 1 3HB MET 1 -19.350 -2.764 4.991 7 HG2 MET 1 2HG MET 1 -17.495 -2.091 3.481 8 HG3 MET 1 3HG MET 1 -18.680 -1.428 2.352 9 HE1 MET 1 3HE MET 1 -16.975 1.787 3.935 10 HE2 MET 1 1HE MET 1 -17.337 0.951 2.424 11 HE3 MET 1 2HE MET 1 -16.190 0.253 3.570 12 H GLY 2 H GLY 2 -18.161 -4.748 1.286 13 HA2 GLY 2 2HA GLY 2 -15.620 -5.001 2.491 14 HA3 GLY 2 3HA GLY 2 -16.405 -6.578 2.459 15 H LEU 3 H LEU 3 -16.922 -4.104 0.014 16 HA LEU 3 HA LEU 3 -16.137 -5.850 -2.135 17 HB2 LEU 3 2HB LEU 3 -17.944 -3.861 -2.016 18 HB3 LEU 3 3HB LEU 3 -16.596 -2.874 -2.536 19 HG LEU 3 HG LEU 3 -17.805 -5.227 -4.070 20 HD11 LEU 3 1HD1 LEU 3 -19.256 -3.257 -4.063 21 HD12 LEU 3 2HD1 LEU 3 -18.599 -3.555 -5.667 22 HD13 LEU 3 3HD1 LEU 3 -17.934 -2.255 -4.675 23 HD21 LEU 3 3HD2 LEU 3 -15.543 -3.400 -4.947 24 HD22 LEU 3 1HD2 LEU 3 -16.355 -4.604 -5.956 25 HD23 LEU 3 2HD2 LEU 3 -15.414 -5.117 -4.559 26 H THR 4 H THR 4 -14.074 -6.074 -2.891 27 HA THR 4 HA THR 4 -11.929 -4.407 -1.904 28 HB THR 4 HB THR 4 -11.622 -6.519 -4.092 29 HG1 THR 4 HG1 THR 4 -11.806 -6.872 -1.272 30 HG21 THR 4 3HG2 THR 4 -9.755 -5.595 -1.849 31 HG22 THR 4 1HG2 THR 4 -9.643 -5.076 -3.530 32 HG23 THR 4 2HG2 THR 4 -9.375 -6.771 -3.115 33 H ARG 5 H ARG 5 -12.403 -2.387 -2.771 34 HA ARG 5 HA ARG 5 -12.357 -1.869 -5.623 35 HB2 ARG 5 2HB ARG 5 -12.120 0.542 -4.893 36 HB3 ARG 5 3HB ARG 5 -13.538 -0.278 -4.242 37 HG2 ARG 5 2HG ARG 5 -12.436 -0.577 -2.087 38 HG3 ARG 5 3HG ARG 5 -10.948 0.124 -2.727 39 HD2 ARG 5 2HD ARG 5 -13.592 1.572 -2.452 40 HD3 ARG 5 3HD ARG 5 -12.215 1.716 -1.356 41 HE ARG 5 HE ARG 5 -11.480 2.301 -4.043 42 HH11 ARG 5 1HH1 ARG 5 -13.027 3.706 -1.224 43 HH12 ARG 5 2HH1 ARG 5 -12.654 5.332 -1.686 44 HH21 ARG 5 1HH2 ARG 5 -11.022 4.429 -4.658 45 HH22 ARG 5 2HH2 ARG 5 -11.513 5.744 -3.637 46 H THR 6 H THR 6 -10.621 -0.756 -6.731 47 HA THR 6 HA THR 6 -7.936 -1.222 -5.575 48 HB THR 6 HB THR 6 -8.664 -1.430 -8.532 49 HG1 THR 6 HG1 THR 6 -7.923 -3.617 -6.878 50 HG21 THR 6 3HG2 THR 6 -6.421 -2.416 -8.761 51 HG22 THR 6 1HG2 THR 6 -6.112 -2.159 -7.041 52 HG23 THR 6 2HG2 THR 6 -6.317 -0.777 -8.122 53 H ILE 7 H ILE 7 -6.716 0.518 -5.447 54 HA ILE 7 HA ILE 7 -7.519 3.026 -6.810 55 HB ILE 7 HB ILE 7 -6.024 2.666 -4.157 56 HG12 ILE 7 2HG1 ILE 7 -8.916 3.535 -4.639 57 HG13 ILE 7 3HG1 ILE 7 -8.411 1.973 -4.007 58 HG21 ILE 7 1HG2 ILE 7 -6.322 5.093 -3.859 59 HG22 ILE 7 2HG2 ILE 7 -7.095 5.217 -5.440 60 HG23 ILE 7 3HG2 ILE 7 -5.396 4.754 -5.320 61 HD11 ILE 7 3HD1 ILE 7 -9.213 3.411 -2.258 62 HD12 ILE 7 1HD1 ILE 7 -8.010 4.634 -2.662 63 HD13 ILE 7 2HD1 ILE 7 -7.499 3.066 -2.029 64 H THR 8 H THR 8 -6.114 3.616 -8.393 65 HA THR 8 HA THR 8 -3.270 2.796 -8.259 66 HB THR 8 HB THR 8 -3.235 3.433 -10.734 67 HG1 THR 8 HG1 THR 8 -6.047 3.618 -10.291 68 HG21 THR 8 3HG2 THR 8 -4.304 1.351 -11.512 69 HG22 THR 8 1HG2 THR 8 -5.139 1.190 -9.965 70 HG23 THR 8 2HG2 THR 8 -3.380 1.073 -10.036 71 H SER 9 H SER 9 -2.124 4.365 -7.280 72 HA SER 9 HA SER 9 -2.414 7.161 -8.175 73 HB2 SER 9 2HB SER 9 -2.205 6.324 -5.251 74 HB3 SER 9 3HB SER 9 -2.223 7.981 -5.854 75 HG SER 9 HG SER 9 -4.348 6.713 -6.834 76 H GLN 10 H GLN 10 -0.507 8.436 -7.848 77 HA GLN 10 HA GLN 10 1.938 6.846 -8.210 78 HB2 GLN 10 2HB GLN 10 1.319 9.769 -8.803 79 HB3 GLN 10 3HB GLN 10 2.867 8.994 -9.125 80 HG2 GLN 10 2HG GLN 10 1.753 7.437 -10.697 81 HG3 GLN 10 3HG GLN 10 0.217 8.243 -10.394 82 HE21 GLN 10 1HE2 GLN 10 3.396 8.593 -11.841 83 HE22 GLN 10 2HE2 GLN 10 3.001 9.940 -12.849 84 H ASN 11 H ASN 11 0.497 8.432 -5.627 85 HA ASN 11 HA ASN 11 3.128 8.996 -4.360 86 HB2 ASN 11 2HB ASN 11 1.815 11.070 -4.548 87 HB3 ASN 11 3HB ASN 11 0.445 10.314 -3.743 88 HD21 ASN 11 1HD2 ASN 11 0.435 11.804 -2.031 89 HD22 ASN 11 2HD2 ASN 11 1.682 11.886 -0.837 90 H LYS 12 H LYS 12 3.632 7.636 -2.839 91 HA LYS 12 HA LYS 12 1.965 5.553 -1.905 92 HB2 LYS 12 2HB LYS 12 3.890 4.902 -0.491 93 HB3 LYS 12 3HB LYS 12 4.344 5.229 -2.150 94 HG2 LYS 12 2HG LYS 12 6.081 6.305 -1.141 95 HG3 LYS 12 3HG LYS 12 4.933 7.645 -1.121 96 HD2 LYS 12 2HD LYS 12 4.316 7.078 1.208 97 HD3 LYS 12 3HD LYS 12 5.440 5.716 1.177 98 HE2 LYS 12 2HE LYS 12 7.320 7.285 0.828 99 HE3 LYS 12 3HE LYS 12 6.195 8.642 0.889 100 HZ1 LYS 12 3HZ LYS 12 6.742 6.732 3.102 101 HZ2 LYS 12 1HZ LYS 12 5.629 7.997 3.172 102 HZ3 LYS 12 2HZ LYS 12 7.273 8.328 3.017 103 H GLU 13 H GLU 13 2.607 8.742 -0.639 104 HA GLU 13 HA GLU 13 1.972 8.285 2.099 105 HB2 GLU 13 2HB GLU 13 1.911 10.884 0.513 106 HB3 GLU 13 3HB GLU 13 1.998 10.740 2.268 107 HG2 GLU 13 2HG GLU 13 4.216 9.723 2.109 108 HG3 GLU 13 3HG GLU 13 4.124 9.730 0.350 109 H GLU 14 H GLU 14 0.110 9.719 -0.615 110 HA GLU 14 HA GLU 14 -2.296 10.204 0.787 111 HB2 GLU 14 2HB GLU 14 -3.383 10.479 -1.367 112 HB3 GLU 14 3HB GLU 14 -1.765 11.159 -1.490 113 HG2 GLU 14 2HG GLU 14 -0.991 9.123 -2.633 114 HG3 GLU 14 3HG GLU 14 -2.606 8.435 -2.537 115 H LEU 15 H LEU 15 -1.086 7.384 -0.913 116 HA LEU 15 HA LEU 15 -3.346 5.703 -0.677 117 HB2 LEU 15 2HB LEU 15 -0.395 5.079 -1.067 118 HB3 LEU 15 3HB LEU 15 -1.635 3.834 -1.072 119 HG LEU 15 HG LEU 15 -1.519 6.164 -3.029 120 HD11 LEU 15 1HD1 LEU 15 -0.820 3.244 -3.502 121 HD12 LEU 15 2HD1 LEU 15 0.317 4.592 -3.442 122 HD13 LEU 15 3HD1 LEU 15 -0.879 4.514 -4.732 123 HD21 LEU 15 3HD2 LEU 15 -3.301 4.984 -4.236 124 HD22 LEU 15 1HD2 LEU 15 -3.812 5.433 -2.613 125 HD23 LEU 15 2HD2 LEU 15 -3.371 3.762 -2.967 126 H LEU 16 H LEU 16 -0.771 6.488 1.579 127 HA LEU 16 HA LEU 16 -1.202 4.318 3.429 128 HB2 LEU 16 2HB LEU 16 0.113 7.041 3.811 129 HB3 LEU 16 3HB LEU 16 0.059 5.813 5.069 130 HG LEU 16 HG LEU 16 1.425 5.465 2.381 131 HD11 LEU 16 1HD1 LEU 16 2.656 6.037 5.090 132 HD12 LEU 16 2HD1 LEU 16 2.532 7.176 3.746 133 HD13 LEU 16 3HD1 LEU 16 3.528 5.734 3.582 134 HD21 LEU 16 3HD2 LEU 16 1.476 3.696 4.844 135 HD22 LEU 16 1HD2 LEU 16 2.402 3.441 3.361 136 HD23 LEU 16 2HD2 LEU 16 0.646 3.338 3.329 137 H GLU 17 H GLU 17 -2.319 7.659 3.181 138 HA GLU 17 HA GLU 17 -3.768 7.830 5.598 139 HB2 GLU 17 2HB GLU 17 -4.262 9.291 2.970 140 HB3 GLU 17 3HB GLU 17 -4.900 9.774 4.540 141 HG2 GLU 17 2HG GLU 17 -2.621 10.177 5.366 142 HG3 GLU 17 3HG GLU 17 -1.954 9.645 3.823 143 H ILE 18 H ILE 18 -4.854 7.037 2.294 144 HA ILE 18 HA ILE 18 -7.581 6.546 2.947 145 HB ILE 18 HB ILE 18 -5.991 5.544 0.528 146 HG12 ILE 18 2HG1 ILE 18 -7.708 8.066 0.819 147 HG13 ILE 18 3HG1 ILE 18 -5.950 8.042 0.796 148 HG21 ILE 18 1HG2 ILE 18 -8.211 5.365 -0.587 149 HG22 ILE 18 2HG2 ILE 18 -9.002 5.788 0.932 150 HG23 ILE 18 3HG2 ILE 18 -8.083 4.287 0.803 151 HD11 ILE 18 3HD1 ILE 18 -6.835 8.742 -1.328 152 HD12 ILE 18 1HD1 ILE 18 -7.757 7.247 -1.477 153 HD13 ILE 18 2HD1 ILE 18 -5.991 7.203 -1.497 154 H ALA 19 H ALA 19 -4.748 4.422 2.597 155 HA ALA 19 HA ALA 19 -5.909 1.912 2.946 156 HB1 ALA 19 3HB ALA 19 -3.206 2.880 3.938 157 HB2 ALA 19 1HB ALA 19 -3.562 2.216 2.342 158 HB3 ALA 19 2HB ALA 19 -3.692 1.190 3.768 159 H LEU 20 H LEU 20 -4.656 4.159 5.364 160 HA LEU 20 HA LEU 20 -4.865 2.655 7.676 161 HB2 LEU 20 2HB LEU 20 -3.617 4.778 7.447 162 HB3 LEU 20 3HB LEU 20 -5.127 5.661 7.310 163 HG LEU 20 HG LEU 20 -5.681 5.011 9.672 164 HD11 LEU 20 1HD1 LEU 20 -3.956 4.101 11.141 165 HD12 LEU 20 2HD1 LEU 20 -2.867 3.891 9.768 166 HD13 LEU 20 3HD1 LEU 20 -4.366 2.962 9.862 167 HD21 LEU 20 3HD2 LEU 20 -4.140 6.594 10.744 168 HD22 LEU 20 1HD2 LEU 20 -4.668 7.198 9.176 169 HD23 LEU 20 2HD2 LEU 20 -3.053 6.508 9.355 170 H LYS 21 H LYS 21 -7.334 4.646 6.104 171 HA LYS 21 HA LYS 21 -9.236 4.563 8.231 172 HB2 LYS 21 2HB LYS 21 -10.694 5.759 6.846 173 HB3 LYS 21 3HB LYS 21 -9.119 6.234 6.240 174 HG2 LYS 21 2HG LYS 21 -9.477 4.394 4.453 175 HG3 LYS 21 3HG LYS 21 -11.156 4.407 4.964 176 HD2 LYS 21 2HD LYS 21 -9.651 6.823 3.872 177 HD3 LYS 21 3HD LYS 21 -10.714 5.785 2.928 178 HE2 LYS 21 2HE LYS 21 -12.004 7.695 3.454 179 HE3 LYS 21 3HE LYS 21 -12.578 6.449 4.559 180 HZ1 LYS 21 3HZ LYS 21 -11.325 7.438 6.327 181 HZ2 LYS 21 1HZ LYS 21 -12.249 8.646 5.595 182 HZ3 LYS 21 2HZ LYS 21 -10.591 8.539 5.283 183 H PHE 22 H PHE 22 -8.656 2.445 5.432 184 HA PHE 22 HA PHE 22 -11.048 0.844 5.782 185 HB2 PHE 22 2HB PHE 22 -8.537 0.466 4.100 186 HB3 PHE 22 3HB PHE 22 -9.753 -0.801 4.218 187 HD1 PHE 22 HD1 PHE 22 -9.144 2.663 3.039 188 HD2 PHE 22 HD2 PHE 22 -11.859 -0.633 3.028 189 HE1 PHE 22 HE1 PHE 22 -10.440 3.738 1.250 190 HE2 PHE 22 HE2 PHE 22 -13.150 0.444 1.228 191 HZ PHE 22 HZ PHE 22 -12.440 2.633 0.342 192 H ILE 23 H ILE 23 -7.645 0.562 6.710 193 HA ILE 23 HA ILE 23 -7.754 -2.126 7.656 194 HB ILE 23 HB ILE 23 -5.727 0.103 8.226 195 HG12 ILE 23 2HG1 ILE 23 -5.849 -0.406 5.822 196 HG13 ILE 23 3HG1 ILE 23 -4.326 -0.990 6.475 197 HG21 ILE 23 1HG2 ILE 23 -4.152 -1.696 8.859 198 HG22 ILE 23 2HG2 ILE 23 -5.442 -2.889 8.691 199 HG23 ILE 23 3HG2 ILE 23 -5.550 -1.639 9.932 200 HD11 ILE 23 3HD1 ILE 23 -6.746 -2.670 5.794 201 HD12 ILE 23 1HD1 ILE 23 -5.245 -3.284 6.493 202 HD13 ILE 23 2HD1 ILE 23 -5.240 -2.566 4.885 203 H SER 24 H SER 24 -8.032 1.073 9.157 204 HA SER 24 HA SER 24 -8.323 0.551 11.840 205 HB2 SER 24 2HB SER 24 -8.325 2.817 10.818 206 HB3 SER 24 3HB SER 24 -9.951 2.537 10.189 207 HG SER 24 HG SER 24 -10.434 2.112 12.550 208 H GLN 25 H GLN 25 -10.786 0.247 9.305 209 HA GLN 25 HA GLN 25 -12.894 -0.568 11.168 210 HB2 GLN 25 2HB GLN 25 -12.882 -0.275 8.138 211 HB3 GLN 25 3HB GLN 25 -14.310 -0.595 9.124 212 HG2 GLN 25 2HG GLN 25 -14.112 1.572 10.213 213 HG3 GLN 25 3HG GLN 25 -12.584 1.882 9.378 214 HE21 GLN 25 1HE2 GLN 25 -12.638 2.337 7.145 215 HE22 GLN 25 2HE2 GLN 25 -14.081 2.860 6.363 216 H GLY 26 H GLY 26 -10.354 -2.196 9.802 217 HA2 GLY 26 2HA GLY 26 -9.860 -4.459 9.656 218 HA3 GLY 26 3HA GLY 26 -11.485 -4.807 10.226 219 H LEU 27 H LEU 27 -11.224 -2.734 7.544 220 HA LEU 27 HA LEU 27 -12.370 -4.714 5.718 221 HB2 LEU 27 2HB LEU 27 -11.995 -1.698 5.431 222 HB3 LEU 27 3HB LEU 27 -12.779 -2.727 4.238 223 HG LEU 27 HG LEU 27 -13.786 -2.246 7.066 224 HD11 LEU 27 1HD1 LEU 27 -14.822 -1.157 4.431 225 HD12 LEU 27 2HD1 LEU 27 -14.000 -0.239 5.696 226 HD13 LEU 27 3HD1 LEU 27 -15.584 -0.944 6.011 227 HD21 LEU 27 3HD2 LEU 27 -14.412 -4.476 6.288 228 HD22 LEU 27 1HD2 LEU 27 -15.064 -3.801 4.790 229 HD23 LEU 27 2HD2 LEU 27 -15.826 -3.429 6.337 230 H ASP 28 H ASP 28 -11.375 -5.356 3.840 231 HA ASP 28 HA ASP 28 -8.529 -4.803 3.534 232 HB2 ASP 28 2HB ASP 28 -8.541 -6.556 1.839 233 HB3 ASP 28 3HB ASP 28 -9.375 -7.123 3.271 234 H LEU 29 H LEU 29 -7.642 -4.069 1.563 235 HA LEU 29 HA LEU 29 -9.276 -2.507 -0.290 236 HB2 LEU 29 2HB LEU 29 -8.792 -0.902 1.550 237 HB3 LEU 29 3HB LEU 29 -7.090 -1.327 1.507 238 HG LEU 29 HG LEU 29 -6.946 -0.359 -0.810 239 HD11 LEU 29 1HD1 LEU 29 -9.752 0.642 -0.280 240 HD12 LEU 29 2HD1 LEU 29 -9.281 -0.560 -1.484 241 HD13 LEU 29 3HD1 LEU 29 -8.719 1.100 -1.638 242 HD21 LEU 29 3HD2 LEU 29 -6.946 1.992 -0.107 243 HD22 LEU 29 1HD2 LEU 29 -6.229 0.952 1.123 244 HD23 LEU 29 2HD2 LEU 29 -7.867 1.570 1.339 245 H GLU 30 H GLU 30 -8.221 -2.402 -2.325 246 HA GLU 30 HA GLU 30 -5.447 -3.479 -2.394 247 HB2 GLU 30 2HB GLU 30 -7.205 -4.803 -3.630 248 HB3 GLU 30 3HB GLU 30 -7.451 -3.417 -4.696 249 HG2 GLU 30 2HG GLU 30 -5.161 -3.555 -5.506 250 HG3 GLU 30 3HG GLU 30 -4.773 -4.830 -4.346 251 H VAL 31 H VAL 31 -3.911 -2.140 -2.988 252 HA VAL 31 HA VAL 31 -4.502 0.331 -4.485 253 HB VAL 31 HB VAL 31 -2.630 1.444 -3.110 254 HG11 VAL 31 1HG1 VAL 31 -4.977 2.069 -2.803 255 HG12 VAL 31 2HG1 VAL 31 -4.140 2.087 -1.252 256 HG13 VAL 31 3HG1 VAL 31 -5.213 0.744 -1.659 257 HG21 VAL 31 3HG2 VAL 31 -1.662 -0.562 -2.068 258 HG22 VAL 31 1HG2 VAL 31 -3.163 -0.866 -1.191 259 HG23 VAL 31 2HG2 VAL 31 -2.199 0.571 -0.830 260 H GLU 32 H GLU 32 -3.450 0.276 -6.350 261 HA GLU 32 HA GLU 32 -0.876 -1.157 -6.612 262 HB2 GLU 32 2HB GLU 32 -2.626 -1.811 -8.240 263 HB3 GLU 32 3HB GLU 32 -2.797 -0.142 -8.768 264 HG2 GLU 32 2HG GLU 32 -0.505 -0.158 -9.648 265 HG3 GLU 32 3HG GLU 32 -0.260 -1.801 -9.053 266 H PHE 33 H PHE 33 0.831 0.059 -6.482 267 HA PHE 33 HA PHE 33 0.774 2.931 -6.557 268 HB2 PHE 33 2HB PHE 33 2.221 1.561 -4.988 269 HB3 PHE 33 3HB PHE 33 3.173 1.052 -6.377 270 HD1 PHE 33 HD1 PHE 33 1.861 4.266 -4.931 271 HD2 PHE 33 HD2 PHE 33 5.187 2.205 -6.641 272 HE1 PHE 33 HE1 PHE 33 3.262 6.251 -4.615 273 HE2 PHE 33 HE2 PHE 33 6.579 4.198 -6.318 274 HZ PHE 33 HZ PHE 33 5.619 6.226 -5.311 275 H ASP 34 H ASP 34 0.545 3.809 -8.496 276 HA ASP 34 HA ASP 34 1.365 2.509 -10.941 277 HB2 ASP 34 2HB ASP 34 -0.784 3.742 -10.771 278 HB3 ASP 34 3HB ASP 34 0.085 5.238 -10.450 279 H SER 35 H SER 35 3.604 2.413 -10.686 280 HA SER 35 HA SER 35 5.106 4.672 -11.652 281 HB2 SER 35 2HB SER 35 5.054 5.182 -9.207 282 HB3 SER 35 3HB SER 35 5.739 3.598 -8.859 283 HG SER 35 HG SER 35 6.992 5.874 -9.514 284 H THR 36 H THR 36 7.134 4.102 -12.367 285 HA THR 36 HA THR 36 7.993 1.267 -12.205 286 HB THR 36 HB THR 36 9.083 1.664 -14.482 287 HG1 THR 36 HG1 THR 36 7.359 3.943 -14.483 288 HG21 THR 36 3HG2 THR 36 6.048 1.875 -14.410 289 HG22 THR 36 1HG2 THR 36 6.974 0.381 -14.336 290 HG23 THR 36 2HG2 THR 36 7.009 1.367 -15.801 291 H ASP 37 H ASP 37 8.570 3.902 -10.709 292 HA ASP 37 HA ASP 37 11.499 4.086 -11.038 293 HB2 ASP 37 2HB ASP 37 10.306 6.245 -11.090 294 HB3 ASP 37 3HB ASP 37 9.546 5.900 -9.541 295 H ASP 38 H ASP 38 12.571 2.730 -9.756 296 HA ASP 38 HA ASP 38 11.428 1.105 -7.795 297 HB2 ASP 38 2HB ASP 38 14.399 1.716 -8.069 298 HB3 ASP 38 3HB ASP 38 13.692 0.308 -7.279 299 H LYS 39 H LYS 39 13.075 4.174 -7.442 300 HA LYS 39 HA LYS 39 13.821 4.040 -4.729 301 HB2 LYS 39 2HB LYS 39 13.128 6.503 -6.383 302 HB3 LYS 39 3HB LYS 39 13.932 6.541 -4.820 303 HG2 LYS 39 2HG LYS 39 15.839 5.311 -5.759 304 HG3 LYS 39 3HG LYS 39 15.050 5.265 -7.332 305 HD2 LYS 39 2HD LYS 39 15.796 7.854 -5.905 306 HD3 LYS 39 3HD LYS 39 16.864 7.038 -7.041 307 HE2 LYS 39 2HE LYS 39 15.751 8.840 -8.188 308 HE3 LYS 39 3HE LYS 39 15.117 7.320 -8.814 309 HZ1 LYS 39 3HZ LYS 39 13.420 9.060 -8.396 310 HZ2 LYS 39 1HZ LYS 39 13.750 8.958 -6.741 311 HZ3 LYS 39 2HZ LYS 39 13.123 7.623 -7.567 312 H GLU 40 H GLU 40 10.942 5.641 -6.171 313 HA GLU 40 HA GLU 40 9.695 6.066 -3.607 314 HB2 GLU 40 2HB GLU 40 7.731 6.862 -4.916 315 HB3 GLU 40 3HB GLU 40 9.240 7.642 -5.373 316 HG2 GLU 40 2HG GLU 40 9.386 6.193 -7.375 317 HG3 GLU 40 3HG GLU 40 7.887 5.403 -6.893 318 H ILE 41 H ILE 41 9.544 3.453 -5.975 319 HA ILE 41 HA ILE 41 7.246 2.115 -4.987 320 HB ILE 41 HB ILE 41 9.713 1.049 -6.429 321 HG12 ILE 41 2HG1 ILE 41 6.833 1.460 -7.392 322 HG13 ILE 41 3HG1 ILE 41 8.186 2.524 -7.755 323 HG21 ILE 41 1HG2 ILE 41 8.839 -0.798 -5.078 324 HG22 ILE 41 2HG2 ILE 41 8.496 -1.087 -6.781 325 HG23 ILE 41 3HG2 ILE 41 7.212 -0.525 -5.708 326 HD11 ILE 41 3HD1 ILE 41 9.269 0.716 -9.001 327 HD12 ILE 41 1HD1 ILE 41 7.668 1.097 -9.637 328 HD13 ILE 41 2HD1 ILE 41 7.901 -0.344 -8.647 329 H GLU 42 H GLU 42 10.668 2.016 -3.971 330 HA GLU 42 HA GLU 42 10.442 0.007 -1.981 331 HB2 GLU 42 2HB GLU 42 12.385 2.346 -2.186 332 HB3 GLU 42 3HB GLU 42 12.526 1.046 -1.003 333 HG2 GLU 42 2HG GLU 42 12.773 -0.587 -2.834 334 HG3 GLU 42 3HG GLU 42 12.659 0.727 -4.005 335 H GLU 43 H GLU 43 9.965 3.509 -1.938 336 HA GLU 43 HA GLU 43 9.473 3.821 0.826 337 HB2 GLU 43 2HB GLU 43 8.454 5.458 -1.526 338 HB3 GLU 43 3HB GLU 43 8.309 5.942 0.158 339 HG2 GLU 43 2HG GLU 43 10.901 5.504 -1.332 340 HG3 GLU 43 3HG GLU 43 10.174 7.067 -0.964 341 H PHE 44 H PHE 44 7.361 2.917 -1.861 342 HA PHE 44 HA PHE 44 4.900 3.000 -0.412 343 HB2 PHE 44 2HB PHE 44 4.950 3.092 -2.872 344 HB3 PHE 44 3HB PHE 44 5.662 1.484 -2.947 345 HD1 PHE 44 HD1 PHE 44 2.584 3.293 -1.748 346 HD2 PHE 44 HD2 PHE 44 4.230 -0.389 -3.159 347 HE1 PHE 44 HE1 PHE 44 0.329 2.325 -1.883 348 HE2 PHE 44 HE2 PHE 44 1.972 -1.342 -3.298 349 HZ PHE 44 HZ PHE 44 0.016 0.009 -2.664 350 H GLU 45 H GLU 45 7.256 0.438 -1.148 351 HA GLU 45 HA GLU 45 5.973 -1.746 0.035 352 HB2 GLU 45 2HB GLU 45 8.948 -1.169 -0.281 353 HB3 GLU 45 3HB GLU 45 8.315 -2.714 0.280 354 HG2 GLU 45 2HG GLU 45 7.093 -2.965 -1.863 355 HG3 GLU 45 3HG GLU 45 7.793 -1.447 -2.414 356 H ARG 46 H ARG 46 8.587 0.259 1.446 357 HA ARG 46 HA ARG 46 8.674 -1.021 3.920 358 HB2 ARG 46 2HB ARG 46 9.980 0.932 4.724 359 HB3 ARG 46 3HB ARG 46 10.521 0.381 3.145 360 HG2 ARG 46 2HG ARG 46 9.245 2.221 2.084 361 HG3 ARG 46 3HG ARG 46 8.764 2.788 3.679 362 HD2 ARG 46 2HD ARG 46 11.660 2.571 2.806 363 HD3 ARG 46 3HD ARG 46 10.686 4.028 2.594 364 HE ARG 46 HE ARG 46 10.820 2.982 5.308 365 HH11 ARG 46 1HH1 ARG 46 12.177 5.258 2.971 366 HH12 ARG 46 2HH1 ARG 46 12.895 6.266 4.191 367 HH21 ARG 46 1HH2 ARG 46 11.729 4.342 6.903 368 HH22 ARG 46 2HH2 ARG 46 12.638 5.744 6.431 369 H ASP 47 H ASP 47 6.872 1.903 2.960 370 HA ASP 47 HA ASP 47 5.776 2.401 5.538 371 HB2 ASP 47 2HB ASP 47 5.218 3.440 2.758 372 HB3 ASP 47 3HB ASP 47 4.142 3.879 4.081 373 H MET 48 H MET 48 4.392 0.638 2.726 374 HA MET 48 HA MET 48 1.834 0.180 3.962 375 HB2 MET 48 2HB MET 48 3.250 -1.147 1.625 376 HB3 MET 48 3HB MET 48 1.703 -1.760 2.213 377 HG2 MET 48 2HG MET 48 2.257 1.011 1.141 378 HG3 MET 48 3HG MET 48 1.314 -0.262 0.360 379 HE1 MET 48 3HE MET 48 0.231 2.790 0.878 380 HE2 MET 48 1HE MET 48 -1.431 2.417 1.335 381 HE3 MET 48 2HE MET 48 -0.663 1.537 0.014 382 H GLU 49 H GLU 49 4.834 -1.640 3.842 383 HA GLU 49 HA GLU 49 4.043 -3.881 5.389 384 HB2 GLU 49 2HB GLU 49 6.799 -2.607 4.994 385 HB3 GLU 49 3HB GLU 49 6.537 -4.142 5.823 386 HG2 GLU 49 2HG GLU 49 5.596 -5.105 3.754 387 HG3 GLU 49 3HG GLU 49 5.837 -3.569 2.932 388 H ASP 50 H ASP 50 5.374 -0.721 6.184 389 HA ASP 50 HA ASP 50 5.827 -1.012 8.936 390 HB2 ASP 50 2HB ASP 50 6.737 0.906 7.710 391 HB3 ASP 50 3HB ASP 50 5.117 1.478 7.317 392 H LEU 51 H LEU 51 3.032 0.212 7.145 393 HA LEU 51 HA LEU 51 1.237 0.663 9.239 394 HB2 LEU 51 2HB LEU 51 0.889 1.428 6.895 395 HB3 LEU 51 3HB LEU 51 0.666 -0.239 6.378 396 HG LEU 51 HG LEU 51 -1.394 -0.381 7.790 397 HD11 LEU 51 1HD1 LEU 51 -0.872 1.263 9.505 398 HD12 LEU 51 2HD1 LEU 51 -2.400 1.662 8.730 399 HD13 LEU 51 3HD1 LEU 51 -0.945 2.572 8.321 400 HD21 LEU 51 3HD2 LEU 51 -1.609 0.171 5.411 401 HD22 LEU 51 1HD2 LEU 51 -1.429 1.893 5.768 402 HD23 LEU 51 2HD2 LEU 51 -2.841 1.007 6.352 403 H ALA 52 H ALA 52 1.887 -2.285 7.327 404 HA ALA 52 HA ALA 52 -0.046 -3.977 8.452 405 HB1 ALA 52 3HB ALA 52 2.640 -4.731 7.266 406 HB2 ALA 52 1HB ALA 52 1.144 -4.476 6.364 407 HB3 ALA 52 2HB ALA 52 1.269 -5.818 7.501 408 H LYS 53 H LYS 53 3.294 -3.298 9.522 409 HA LYS 53 HA LYS 53 3.257 -5.085 11.748 410 HB2 LYS 53 2HB LYS 53 5.038 -2.875 10.818 411 HB3 LYS 53 3HB LYS 53 5.027 -3.094 12.561 412 HG2 LYS 53 2HG LYS 53 6.840 -4.397 11.777 413 HG3 LYS 53 3HG LYS 53 5.568 -5.553 12.154 414 HD2 LYS 53 2HD LYS 53 6.547 -6.263 10.096 415 HD3 LYS 53 3HD LYS 53 4.986 -5.559 9.670 416 HE2 LYS 53 2HE LYS 53 6.739 -4.851 8.100 417 HE3 LYS 53 3HE LYS 53 6.102 -3.475 8.997 418 HZ1 LYS 53 3HZ LYS 53 8.050 -3.516 10.410 419 HZ2 LYS 53 1HZ LYS 53 8.518 -3.407 8.792 420 HZ3 LYS 53 2HZ LYS 53 8.655 -4.877 9.614 421 H LYS 54 H LYS 54 2.687 -1.593 11.536 422 HA LYS 54 HA LYS 54 2.247 -0.928 14.173 423 HB2 LYS 54 2HB LYS 54 1.104 0.284 11.622 424 HB3 LYS 54 3HB LYS 54 0.900 1.027 13.209 425 HG2 LYS 54 2HG LYS 54 3.316 1.320 13.434 426 HG3 LYS 54 3HG LYS 54 3.585 0.465 11.911 427 HD2 LYS 54 2HD LYS 54 3.753 2.912 11.626 428 HD3 LYS 54 3HD LYS 54 2.438 2.232 10.669 429 HE2 LYS 54 2HE LYS 54 1.808 4.352 11.770 430 HE3 LYS 54 3HE LYS 54 0.799 3.009 12.304 431 HZ1 LYS 54 3HZ LYS 54 2.107 2.869 14.325 432 HZ2 LYS 54 1HZ LYS 54 1.495 4.434 14.137 433 HZ3 LYS 54 2HZ LYS 54 3.121 4.114 13.796 434 H THR 55 H THR 55 -0.076 -2.212 11.850 435 HA THR 55 HA THR 55 -2.268 -2.080 13.835 436 HB THR 55 HB THR 55 -3.770 -2.492 11.891 437 HG1 THR 55 HG1 THR 55 -1.888 -1.998 9.959 438 HG21 THR 55 3HG2 THR 55 -3.462 -0.327 10.740 439 HG22 THR 55 1HG2 THR 55 -1.842 -0.178 11.419 440 HG23 THR 55 2HG2 THR 55 -3.253 -0.143 12.481 441 H GLY 56 H GLY 56 0.016 -4.249 12.580 442 HA2 GLY 56 2HA GLY 56 0.339 -6.494 12.861 443 HA3 GLY 56 3HA GLY 56 -1.083 -6.528 13.883 444 H VAL 57 H VAL 57 -1.157 -5.425 10.563 445 HA VAL 57 HA VAL 57 -2.826 -7.755 9.799 446 HB VAL 57 HB VAL 57 -3.771 -6.433 8.018 447 HG11 VAL 57 1HG1 VAL 57 -4.801 -6.207 10.227 448 HG12 VAL 57 2HG1 VAL 57 -4.967 -4.716 9.301 449 HG13 VAL 57 3HG1 VAL 57 -3.765 -4.824 10.592 450 HG21 VAL 57 3HG2 VAL 57 -3.206 -4.045 7.645 451 HG22 VAL 57 1HG2 VAL 57 -1.841 -5.115 7.315 452 HG23 VAL 57 2HG2 VAL 57 -1.887 -4.185 8.812 453 H GLN 58 H GLN 58 -2.684 -8.153 7.301 454 HA GLN 58 HA GLN 58 0.179 -8.444 6.570 455 HB2 GLN 58 2HB GLN 58 -2.227 -10.224 6.153 456 HB3 GLN 58 3HB GLN 58 -0.902 -10.313 5.001 457 HG2 GLN 58 2HG GLN 58 -0.634 -10.751 7.986 458 HG3 GLN 58 3HG GLN 58 -0.750 -12.024 6.768 459 HE21 GLN 58 1HE2 GLN 58 1.394 -11.544 8.627 460 HE22 GLN 58 2HE2 GLN 58 2.825 -11.246 7.712 461 H ILE 59 H ILE 59 0.755 -8.396 4.345 462 HA ILE 59 HA ILE 59 -1.045 -6.857 2.548 463 HB ILE 59 HB ILE 59 0.892 -5.786 1.542 464 HG12 ILE 59 2HG1 ILE 59 2.705 -7.284 3.503 465 HG13 ILE 59 3HG1 ILE 59 2.498 -7.726 1.812 466 HG21 ILE 59 1HG2 ILE 59 1.153 -5.557 4.566 467 HG22 ILE 59 2HG2 ILE 59 0.002 -4.678 3.564 468 HG23 ILE 59 3HG2 ILE 59 1.728 -4.376 3.384 469 HD11 ILE 59 3HD1 ILE 59 4.540 -6.477 2.152 470 HD12 ILE 59 1HD1 ILE 59 3.629 -5.124 2.825 471 HD13 ILE 59 2HD1 ILE 59 3.422 -5.575 1.128 472 H GLN 60 H GLN 60 -0.458 -7.267 0.190 473 HA GLN 60 HA GLN 60 0.902 -9.831 -0.369 474 HB2 GLN 60 2HB GLN 60 -1.628 -10.169 -0.287 475 HB3 GLN 60 3HB GLN 60 -1.767 -9.090 -1.665 476 HG2 GLN 60 2HG GLN 60 -0.105 -11.628 -1.731 477 HG3 GLN 60 3HG GLN 60 -1.815 -11.600 -2.141 478 HE21 GLN 60 1HE2 GLN 60 0.761 -12.111 -3.697 479 HE22 GLN 60 2HE2 GLN 60 0.601 -11.123 -5.097 480 H LYS 61 H LYS 61 2.610 -9.078 -1.469 481 HA LYS 61 HA LYS 61 2.442 -6.823 -3.297 482 HB2 LYS 61 2HB LYS 61 4.780 -8.694 -2.672 483 HB3 LYS 61 3HB LYS 61 4.875 -7.246 -3.672 484 HG2 LYS 61 2HG LYS 61 4.246 -5.872 -1.680 485 HG3 LYS 61 3HG LYS 61 4.271 -7.343 -0.703 486 HD2 LYS 61 2HD LYS 61 6.673 -7.674 -1.294 487 HD3 LYS 61 3HD LYS 61 6.637 -6.173 -2.220 488 HE2 LYS 61 2HE LYS 61 6.208 -4.887 -0.197 489 HE3 LYS 61 3HE LYS 61 6.096 -6.366 0.762 490 HZ1 LYS 61 3HZ LYS 61 8.260 -5.313 0.980 491 HZ2 LYS 61 1HZ LYS 61 8.514 -5.436 -0.686 492 HZ3 LYS 61 2HZ LYS 61 8.412 -6.835 0.260 493 H GLN 62 H GLN 62 1.989 -7.054 -5.415 494 HA GLN 62 HA GLN 62 2.849 -9.482 -6.860 495 HB2 GLN 62 2HB GLN 62 0.349 -9.483 -6.652 496 HB3 GLN 62 3HB GLN 62 0.292 -7.882 -7.385 497 HG2 GLN 62 2HG GLN 62 1.389 -8.874 -9.445 498 HG3 GLN 62 3HG GLN 62 1.207 -10.463 -8.701 499 HE21 GLN 62 1HE2 GLN 62 -0.899 -11.331 -8.474 500 HE22 GLN 62 2HE2 GLN 62 -2.223 -10.748 -9.414 501 H TRP 63 H TRP 63 4.214 -8.942 -8.436 502 HA TRP 63 HA TRP 63 4.530 -6.156 -9.277 503 HB2 TRP 63 2HB TRP 63 6.156 -8.664 -9.907 504 HB3 TRP 63 3HB TRP 63 6.535 -7.046 -10.506 505 HD1 TRP 63 HD1 TRP 63 6.991 -9.244 -7.453 506 HE1 TRP 63 HE1 TRP 63 8.245 -7.937 -5.627 507 HE3 TRP 63 HE3 TRP 63 6.778 -4.535 -9.489 508 HZ2 TRP 63 HZ2 TRP 63 9.051 -5.303 -5.112 509 HZ3 TRP 63 HZ3 TRP 63 7.811 -2.679 -8.243 510 HH2 TRP 63 HH2 TRP 63 8.922 -3.062 -6.101 511 H GLN 64 H GLN 64 3.045 -5.566 -10.683 512 HA GLN 64 HA GLN 64 2.177 -7.323 -12.891 513 HB2 GLN 64 2HB GLN 64 0.419 -6.202 -11.452 514 HB3 GLN 64 3HB GLN 64 1.043 -4.632 -11.949 515 HG2 GLN 64 2HG GLN 64 -0.952 -5.187 -13.211 516 HG3 GLN 64 3HG GLN 64 0.443 -5.137 -14.290 517 HE21 GLN 64 1HE2 GLN 64 -0.521 -6.469 -15.843 518 HE22 GLN 64 2HE2 GLN 64 -0.799 -8.155 -15.576 519 H GLY 65 H GLY 65 3.987 -7.174 -14.173 520 HA2 GLY 65 2HA GLY 65 5.751 -6.315 -15.363 521 HA3 GLY 65 3HA GLY 65 4.896 -4.773 -15.433 522 H ASN 66 H ASN 66 6.170 -3.201 -14.555 523 HA ASN 66 HA ASN 66 7.709 -3.721 -12.095 524 HB2 ASN 66 2HB ASN 66 8.823 -2.662 -14.129 525 HB3 ASN 66 3HB ASN 66 7.794 -1.254 -13.899 526 HD21 ASN 66 1HD2 ASN 66 9.835 -0.132 -13.773 527 HD22 ASN 66 2HD2 ASN 66 10.682 -0.066 -12.269 528 H LYS 67 H LYS 67 4.652 -2.587 -12.984 529 HA LYS 67 HA LYS 67 4.232 -0.597 -10.946 530 HB2 LYS 67 2HB LYS 67 2.190 -2.384 -12.357 531 HB3 LYS 67 3HB LYS 67 1.805 -0.969 -11.385 532 HG2 LYS 67 2HG LYS 67 3.381 -0.933 -13.969 533 HG3 LYS 67 3HG LYS 67 1.668 -0.539 -13.814 534 HD2 LYS 67 2HD LYS 67 2.240 1.364 -12.337 535 HD3 LYS 67 3HD LYS 67 3.957 0.968 -12.486 536 HE2 LYS 67 2HE LYS 67 3.379 2.809 -13.971 537 HE3 LYS 67 3HE LYS 67 3.828 1.397 -14.924 538 HZ1 LYS 67 3HZ LYS 67 1.063 2.321 -14.359 539 HZ2 LYS 67 1HZ LYS 67 1.464 0.945 -15.254 540 HZ3 LYS 67 2HZ LYS 67 1.882 2.474 -15.827 541 H LEU 68 H LEU 68 4.010 -0.965 -8.792 542 HA LEU 68 HA LEU 68 3.904 -3.745 -7.846 543 HB2 LEU 68 2HB LEU 68 5.640 -2.276 -6.927 544 HB3 LEU 68 3HB LEU 68 4.417 -1.160 -6.329 545 HG LEU 68 HG LEU 68 3.597 -2.842 -4.740 546 HD11 LEU 68 1HD1 LEU 68 3.968 -4.899 -6.000 547 HD12 LEU 68 2HD1 LEU 68 4.712 -5.005 -4.407 548 HD13 LEU 68 3HD1 LEU 68 5.718 -4.717 -5.830 549 HD21 LEU 68 3HD2 LEU 68 5.442 -1.359 -4.069 550 HD22 LEU 68 1HD2 LEU 68 6.610 -2.577 -4.585 551 HD23 LEU 68 2HD2 LEU 68 5.511 -2.912 -3.244 552 H ARG 69 H ARG 69 1.889 -4.427 -7.959 553 HA ARG 69 HA ARG 69 -0.396 -2.962 -6.864 554 HB2 ARG 69 2HB ARG 69 -0.619 -4.232 -8.961 555 HB3 ARG 69 3HB ARG 69 -0.078 -5.710 -8.169 556 HG2 ARG 69 2HG ARG 69 -2.128 -5.671 -6.760 557 HG3 ARG 69 3HG ARG 69 -2.667 -4.224 -7.618 558 HD2 ARG 69 2HD ARG 69 -2.786 -5.456 -9.722 559 HD3 ARG 69 3HD ARG 69 -2.089 -6.893 -8.965 560 HE ARG 69 HE ARG 69 -4.672 -5.798 -8.065 561 HH11 ARG 69 1HH1 ARG 69 -2.875 -8.492 -9.439 562 HH12 ARG 69 2HH1 ARG 69 -4.200 -9.604 -9.271 563 HH21 ARG 69 1HH2 ARG 69 -6.360 -7.257 -7.808 564 HH22 ARG 69 2HH2 ARG 69 -6.169 -8.904 -8.348 565 H ILE 70 H ILE 70 -0.520 -2.989 -4.651 566 HA ILE 70 HA ILE 70 -0.015 -5.538 -3.217 567 HB ILE 70 HB ILE 70 0.415 -2.707 -2.140 568 HG12 ILE 70 2HG1 ILE 70 2.343 -5.036 -2.624 569 HG13 ILE 70 3HG1 ILE 70 2.313 -3.496 -3.469 570 HG21 ILE 70 1HG2 ILE 70 -0.634 -4.086 -0.384 571 HG22 ILE 70 2HG2 ILE 70 1.046 -3.755 0.023 572 HG23 ILE 70 3HG2 ILE 70 0.589 -5.341 -0.607 573 HD11 ILE 70 3HD1 ILE 70 2.980 -2.358 -1.391 574 HD12 ILE 70 1HD1 ILE 70 4.146 -3.571 -1.917 575 HD13 ILE 70 2HD1 ILE 70 3.057 -3.925 -0.578 576 H ARG 71 H ARG 71 -1.782 -6.444 -2.359 577 HA ARG 71 HA ARG 71 -4.099 -4.739 -1.691 578 HB2 ARG 71 2HB ARG 71 -4.545 -6.813 -2.997 579 HB3 ARG 71 3HB ARG 71 -3.906 -7.792 -1.673 580 HG2 ARG 71 2HG ARG 71 -5.704 -6.935 -0.185 581 HG3 ARG 71 3HG ARG 71 -6.337 -5.960 -1.513 582 HD2 ARG 71 2HD ARG 71 -6.195 -8.991 -1.435 583 HD3 ARG 71 3HD ARG 71 -7.642 -8.007 -1.214 584 HE ARG 71 HE ARG 71 -6.289 -7.559 -3.729 585 HH11 ARG 71 1HH1 ARG 71 -8.730 -9.526 -2.104 586 HH12 ARG 71 2HH1 ARG 71 -9.538 -9.957 -3.577 587 HH21 ARG 71 1HH2 ARG 71 -7.356 -8.075 -5.634 588 HH22 ARG 71 2HH2 ARG 71 -8.747 -9.120 -5.607 589 H LEU 72 H LEU 72 -4.563 -4.275 0.282 590 HA LEU 72 HA LEU 72 -3.024 -5.258 2.599 591 HB2 LEU 72 2HB LEU 72 -4.850 -2.820 2.390 592 HB3 LEU 72 3HB LEU 72 -3.710 -3.181 3.679 593 HG LEU 72 HG LEU 72 -2.925 -2.499 0.817 594 HD11 LEU 72 1HD1 LEU 72 -2.829 -0.741 3.283 595 HD12 LEU 72 2HD1 LEU 72 -3.948 -0.573 1.928 596 HD13 LEU 72 3HD1 LEU 72 -2.224 -0.322 1.675 597 HD21 LEU 72 3HD2 LEU 72 -1.206 -2.813 3.289 598 HD22 LEU 72 1HD2 LEU 72 -0.653 -2.241 1.710 599 HD23 LEU 72 2HD2 LEU 72 -1.247 -3.888 1.890 600 H LYS 73 H LYS 73 -4.174 -6.188 4.330 601 HA LYS 73 HA LYS 73 -7.134 -6.414 4.118 602 HB2 LYS 73 2HB LYS 73 -6.921 -8.798 4.800 603 HB3 LYS 73 3HB LYS 73 -6.167 -8.479 3.243 604 HG2 LYS 73 2HG LYS 73 -4.075 -8.128 5.119 605 HG3 LYS 73 3HG LYS 73 -4.973 -9.522 5.711 606 HD2 LYS 73 2HD LYS 73 -3.104 -10.161 4.235 607 HD3 LYS 73 3HD LYS 73 -4.663 -10.683 3.594 608 HE2 LYS 73 2HE LYS 73 -4.651 -8.808 2.010 609 HE3 LYS 73 3HE LYS 73 -3.119 -8.232 2.673 610 HZ1 LYS 73 3HZ LYS 73 -3.462 -10.923 1.462 611 HZ2 LYS 73 1HZ LYS 73 -2.014 -10.161 1.876 612 HZ3 LYS 73 2HZ LYS 73 -2.946 -9.581 0.587 613 H GLY 74 H GLY 74 -7.929 -7.583 6.256 614 HA2 GLY 74 2HA GLY 74 -6.822 -6.145 8.573 615 HA3 GLY 74 3HA GLY 74 -8.363 -6.993 8.494 616 H SER 75 H SER 75 -8.455 -8.988 9.383 617 HA SER 75 HA SER 75 -6.080 -9.947 10.760 618 HB2 SER 75 2HB SER 75 -8.973 -10.846 10.961 619 HB3 SER 75 3HB SER 75 -7.660 -11.316 12.050 620 HG SER 75 HG SER 75 -8.080 -8.569 11.684 621 H LEU 76 H LEU 76 -4.915 -11.702 10.174 622 HA LEU 76 HA LEU 76 -6.168 -13.826 8.527 623 HB2 LEU 76 2HB LEU 76 -3.342 -12.750 8.243 624 HB3 LEU 76 3HB LEU 76 -3.826 -14.308 7.599 625 HG LEU 76 HG LEU 76 -4.604 -11.545 6.635 626 HD11 LEU 76 1HD1 LEU 76 -3.851 -12.453 4.467 627 HD12 LEU 76 2HD1 LEU 76 -3.498 -14.002 5.231 628 HD13 LEU 76 3HD1 LEU 76 -2.589 -12.562 5.694 629 HD21 LEU 76 3HD2 LEU 76 -6.091 -14.105 5.944 630 HD22 LEU 76 1HD2 LEU 76 -6.246 -12.572 5.075 631 HD23 LEU 76 2HD2 LEU 76 -6.750 -12.686 6.756 632 H GLU 77 H GLU 77 -6.007 -15.788 9.275 633 HA GLU 77 HA GLU 77 -5.613 -17.565 10.568 634 HB2 GLU 77 2HB GLU 77 -4.264 -17.612 8.504 635 HB3 GLU 77 3HB GLU 77 -2.883 -16.965 9.388 636 HG2 GLU 77 2HG GLU 77 -2.767 -19.391 8.979 637 HG3 GLU 77 3HG GLU 77 -2.708 -18.977 10.687 638 H HIS 78 H HIS 78 -5.668 -15.534 12.423 639 HA HIS 78 HA HIS 78 -5.558 -15.471 14.667 640 HB2 HIS 78 2HB HIS 78 -4.546 -18.336 14.425 641 HB3 HIS 78 3HB HIS 78 -5.346 -17.612 15.820 642 HD1 HIS 78 HD1 HIS 78 -6.104 -19.787 13.143 643 HD2 HIS 78 HD2 HIS 78 -8.119 -16.591 14.868 644 HE1 HIS 78 HE1 HIS 78 -8.502 -20.058 12.475 645 HE2 HIS 78 HE2 HIS 78 -9.715 -18.254 13.712 646 H HIS 79 H HIS 79 -3.044 -14.639 13.267 647 HA HIS 79 HA HIS 79 -0.849 -15.534 14.909 648 HB2 HIS 79 2HB HIS 79 0.556 -13.951 13.615 649 HB3 HIS 79 3HB HIS 79 -0.366 -15.043 12.596 650 HD1 HIS 79 HD1 HIS 79 -1.219 -13.910 10.594 651 HD2 HIS 79 HD2 HIS 79 -0.974 -11.283 13.801 652 HE1 HIS 79 HE1 HIS 79 -1.926 -11.674 9.697 653 HE2 HIS 79 HE2 HIS 79 -1.580 -10.088 11.608 654 H HIS 80 H HIS 80 -3.226 -13.731 15.936 655 HA HIS 80 HA HIS 80 -1.602 -12.073 17.737 656 HB2 HIS 80 2HB HIS 80 -4.529 -12.317 17.112 657 HB3 HIS 80 3HB HIS 80 -4.144 -11.957 18.788 658 HD1 HIS 80 HD1 HIS 80 -4.067 -9.567 19.274 659 HD2 HIS 80 HD2 HIS 80 -3.062 -10.346 15.314 660 HE1 HIS 80 HE1 HIS 80 -3.657 -7.326 18.240 661 HE2 HIS 80 HE2 HIS 80 -2.947 -7.830 15.878 662 H HIS 81 H HIS 81 -1.736 -15.210 17.509 663 HA HIS 81 HA HIS 81 -2.516 -16.089 20.119 664 HB2 HIS 81 2HB HIS 81 -2.333 -17.548 18.020 665 HB3 HIS 81 3HB HIS 81 -0.584 -17.472 18.191 666 HD1 HIS 81 HD1 HIS 81 -3.000 -19.829 18.645 667 HD2 HIS 81 HD2 HIS 81 -0.136 -18.346 21.267 668 HE1 HIS 81 HE1 HIS 81 -2.711 -21.605 20.397 669 HE2 HIS 81 HE2 HIS 81 -0.896 -20.735 21.905 670 H HIS 82 H HIS 82 -1.529 -14.780 21.622 671 HA HIS 82 HA HIS 82 1.252 -14.113 21.630 672 HB2 HIS 82 2HB HIS 82 -0.557 -12.699 22.686 673 HB3 HIS 82 3HB HIS 82 -0.750 -13.921 23.937 674 HD1 HIS 82 HD1 HIS 82 1.031 -10.856 23.236 675 HD2 HIS 82 HD2 HIS 82 1.813 -14.242 25.514 676 HE1 HIS 82 HE1 HIS 82 2.864 -10.195 24.820 677 HE2 HIS 82 HE2 HIS 82 3.355 -12.266 26.147 678 H HIS 83 H HIS 83 2.821 -15.494 22.118 679 HA HIS 83 HA HIS 83 2.752 -17.214 24.429 680 HB2 HIS 83 2HB HIS 83 1.590 -18.655 22.745 681 HB3 HIS 83 3HB HIS 83 2.958 -18.494 21.648 682 HD1 HIS 83 HD1 HIS 83 5.036 -19.946 22.135 683 HD2 HIS 83 HD2 HIS 83 2.036 -20.362 24.985 684 HE1 HIS 83 HE1 HIS 83 5.715 -21.906 23.540 685 HE2 HIS 83 HE2 HIS 83 3.811 -22.244 25.141 Start of MODEL 12 1 H1 MET 1 1H MET 1 -19.324 -1.780 0.599 2 H2 MET 1 2H MET 1 -20.269 -0.903 1.689 3 H3 MET 1 3H MET 1 -19.861 -2.507 2.020 4 HA MET 1 HA MET 1 -17.964 -0.261 1.797 5 HB2 MET 1 2HB MET 1 -17.695 -0.393 4.232 6 HB3 MET 1 3HB MET 1 -19.380 -0.099 3.832 7 HG2 MET 1 2HG MET 1 -18.167 -2.720 4.738 8 HG3 MET 1 3HG MET 1 -19.229 -1.667 5.674 9 HE1 MET 1 3HE MET 1 -21.317 -5.000 4.837 10 HE2 MET 1 1HE MET 1 -20.691 -4.010 6.154 11 HE3 MET 1 2HE MET 1 -19.577 -4.887 5.105 12 H GLY 2 H GLY 2 -18.519 -3.686 2.477 13 HA2 GLY 2 2HA GLY 2 -15.671 -4.294 2.683 14 HA3 GLY 2 3HA GLY 2 -17.019 -5.370 2.999 15 H LEU 3 H LEU 3 -15.393 -3.663 0.360 16 HA LEU 3 HA LEU 3 -15.269 -6.187 -1.104 17 HB2 LEU 3 2HB LEU 3 -15.800 -4.956 -3.291 18 HB3 LEU 3 3HB LEU 3 -17.142 -5.326 -2.233 19 HG LEU 3 HG LEU 3 -17.077 -2.884 -1.446 20 HD11 LEU 3 1HD1 LEU 3 -15.272 -2.483 -3.843 21 HD12 LEU 3 2HD1 LEU 3 -14.843 -2.231 -2.150 22 HD13 LEU 3 3HD1 LEU 3 -16.055 -1.204 -2.909 23 HD21 LEU 3 3HD2 LEU 3 -18.324 -2.040 -3.374 24 HD22 LEU 3 1HD2 LEU 3 -18.780 -3.702 -3.002 25 HD23 LEU 3 2HD2 LEU 3 -17.715 -3.366 -4.370 26 H THR 4 H THR 4 -13.447 -6.351 -2.454 27 HA THR 4 HA THR 4 -11.234 -4.670 -1.659 28 HB THR 4 HB THR 4 -11.206 -7.031 -3.592 29 HG1 THR 4 HG1 THR 4 -10.542 -7.065 -0.827 30 HG21 THR 4 3HG2 THR 4 -9.173 -5.592 -3.695 31 HG22 THR 4 1HG2 THR 4 -8.820 -7.179 -2.997 32 HG23 THR 4 2HG2 THR 4 -8.976 -5.771 -1.947 33 H ARG 5 H ARG 5 -12.098 -2.748 -2.626 34 HA ARG 5 HA ARG 5 -12.068 -2.369 -5.487 35 HB2 ARG 5 2HB ARG 5 -12.110 0.089 -4.874 36 HB3 ARG 5 3HB ARG 5 -13.443 -0.857 -4.220 37 HG2 ARG 5 2HG ARG 5 -12.446 -0.874 -2.015 38 HG3 ARG 5 3HG ARG 5 -10.970 -0.128 -2.626 39 HD2 ARG 5 2HD ARG 5 -13.696 1.205 -2.643 40 HD3 ARG 5 3HD ARG 5 -12.463 1.450 -1.403 41 HE ARG 5 HE ARG 5 -11.450 1.973 -4.026 42 HH11 ARG 5 1HH1 ARG 5 -13.392 3.462 -1.478 43 HH12 ARG 5 2HH1 ARG 5 -13.015 5.078 -1.984 44 HH21 ARG 5 1HH2 ARG 5 -10.975 4.089 -4.653 45 HH22 ARG 5 2HH2 ARG 5 -11.650 5.414 -3.782 46 H THR 6 H THR 6 -10.462 -0.849 -6.517 47 HA THR 6 HA THR 6 -7.742 -1.404 -5.506 48 HB THR 6 HB THR 6 -8.625 -1.399 -8.425 49 HG1 THR 6 HG1 THR 6 -7.790 -3.630 -6.851 50 HG21 THR 6 3HG2 THR 6 -6.265 -0.699 -8.149 51 HG22 THR 6 1HG2 THR 6 -6.363 -2.310 -8.865 52 HG23 THR 6 2HG2 THR 6 -5.949 -2.129 -7.160 53 H ILE 7 H ILE 7 -6.829 0.443 -4.913 54 HA ILE 7 HA ILE 7 -7.595 3.013 -6.119 55 HB ILE 7 HB ILE 7 -6.019 2.425 -3.555 56 HG12 ILE 7 2HG1 ILE 7 -8.904 3.366 -3.886 57 HG13 ILE 7 3HG1 ILE 7 -8.401 1.772 -3.333 58 HG21 ILE 7 1HG2 ILE 7 -5.369 4.575 -4.585 59 HG22 ILE 7 2HG2 ILE 7 -6.220 4.823 -3.062 60 HG23 ILE 7 3HG2 ILE 7 -7.060 5.084 -4.590 61 HD11 ILE 7 3HD1 ILE 7 -7.957 4.385 -1.887 62 HD12 ILE 7 1HD1 ILE 7 -7.366 2.804 -1.352 63 HD13 ILE 7 2HD1 ILE 7 -9.100 3.108 -1.471 64 H THR 8 H THR 8 -6.288 3.626 -7.728 65 HA THR 8 HA THR 8 -3.417 2.846 -7.766 66 HB THR 8 HB THR 8 -3.605 3.220 -10.281 67 HG1 THR 8 HG1 THR 8 -5.423 4.491 -10.421 68 HG21 THR 8 3HG2 THR 8 -3.728 0.926 -9.381 69 HG22 THR 8 1HG2 THR 8 -4.805 1.099 -10.772 70 HG23 THR 8 2HG2 THR 8 -5.468 1.096 -9.136 71 H SER 9 H SER 9 -2.208 4.527 -7.116 72 HA SER 9 HA SER 9 -2.942 7.298 -7.895 73 HB2 SER 9 2HB SER 9 -3.724 6.931 -5.575 74 HB3 SER 9 3HB SER 9 -2.111 6.389 -5.104 75 HG SER 9 HG SER 9 -3.077 8.890 -5.301 76 H GLN 10 H GLN 10 -1.269 8.740 -8.012 77 HA GLN 10 HA GLN 10 1.401 7.685 -8.561 78 HB2 GLN 10 2HB GLN 10 0.187 10.458 -8.955 79 HB3 GLN 10 3HB GLN 10 1.785 9.957 -9.507 80 HG2 GLN 10 2HG GLN 10 0.810 8.357 -11.055 81 HG3 GLN 10 3HG GLN 10 -0.808 8.693 -10.440 82 HE21 GLN 10 1HE2 GLN 10 1.842 9.966 -12.347 83 HE22 GLN 10 2HE2 GLN 10 0.927 11.197 -13.137 84 H ASN 11 H ASN 11 -0.173 8.781 -5.866 85 HA ASN 11 HA ASN 11 2.384 9.507 -4.529 86 HB2 ASN 11 2HB ASN 11 0.839 11.425 -4.472 87 HB3 ASN 11 3HB ASN 11 -0.462 10.407 -3.855 88 HD21 ASN 11 1HD2 ASN 11 -0.732 11.656 -1.974 89 HD22 ASN 11 2HD2 ASN 11 0.434 11.717 -0.700 90 H LYS 12 H LYS 12 3.076 7.856 -3.273 91 HA LYS 12 HA LYS 12 1.324 5.712 -2.460 92 HB2 LYS 12 2HB LYS 12 3.323 4.633 -1.495 93 HB3 LYS 12 3HB LYS 12 3.571 5.146 -3.152 94 HG2 LYS 12 2HG LYS 12 5.595 5.717 -2.193 95 HG3 LYS 12 3HG LYS 12 4.715 7.242 -2.085 96 HD2 LYS 12 2HD LYS 12 4.138 6.661 0.309 97 HD3 LYS 12 3HD LYS 12 5.177 5.237 0.168 98 HE2 LYS 12 2HE LYS 12 7.114 6.666 -0.249 99 HE3 LYS 12 3HE LYS 12 6.082 8.100 -0.232 100 HZ1 LYS 12 3HZ LYS 12 5.543 7.604 2.092 101 HZ2 LYS 12 1HZ LYS 12 7.205 7.852 1.864 102 HZ3 LYS 12 2HZ LYS 12 6.608 6.287 2.054 103 H GLU 13 H GLU 13 2.230 8.684 -1.010 104 HA GLU 13 HA GLU 13 2.138 7.917 1.743 105 HB2 GLU 13 2HB GLU 13 1.785 10.662 0.468 106 HB3 GLU 13 3HB GLU 13 2.009 10.371 2.193 107 HG2 GLU 13 2HG GLU 13 4.241 9.382 1.720 108 HG3 GLU 13 3HG GLU 13 4.017 9.722 0.005 109 H GLU 14 H GLU 14 -0.261 9.486 -0.433 110 HA GLU 14 HA GLU 14 -2.393 9.497 1.422 111 HB2 GLU 14 2HB GLU 14 -3.889 9.877 -0.465 112 HB3 GLU 14 3HB GLU 14 -2.449 10.881 -0.621 113 HG2 GLU 14 2HG GLU 14 -1.548 9.452 -2.342 114 HG3 GLU 14 3HG GLU 14 -2.818 8.252 -2.087 115 H LEU 15 H LEU 15 -1.085 6.984 -0.688 116 HA LEU 15 HA LEU 15 -3.251 5.158 -0.545 117 HB2 LEU 15 2HB LEU 15 -0.270 4.651 -0.926 118 HB3 LEU 15 3HB LEU 15 -1.483 3.385 -1.046 119 HG LEU 15 HG LEU 15 -1.335 5.836 -2.852 120 HD11 LEU 15 1HD1 LEU 15 0.517 4.297 -3.277 121 HD12 LEU 15 2HD1 LEU 15 -0.627 4.300 -4.616 122 HD13 LEU 15 3HD1 LEU 15 -0.617 2.957 -3.467 123 HD21 LEU 15 3HD2 LEU 15 -3.171 3.425 -2.976 124 HD22 LEU 15 1HD2 LEU 15 -3.052 4.696 -4.198 125 HD23 LEU 15 2HD2 LEU 15 -3.631 5.084 -2.583 126 H LEU 16 H LEU 16 -0.683 5.989 1.689 127 HA LEU 16 HA LEU 16 -0.959 3.774 3.495 128 HB2 LEU 16 2HB LEU 16 0.079 6.575 4.119 129 HB3 LEU 16 3HB LEU 16 0.378 5.121 5.065 130 HG LEU 16 HG LEU 16 1.401 5.633 2.253 131 HD11 LEU 16 1HD1 LEU 16 3.613 5.847 3.268 132 HD12 LEU 16 2HD1 LEU 16 2.900 5.706 4.878 133 HD13 LEU 16 3HD1 LEU 16 2.503 7.086 3.850 134 HD21 LEU 16 3HD2 LEU 16 1.007 3.267 2.639 135 HD22 LEU 16 1HD2 LEU 16 1.968 3.317 4.120 136 HD23 LEU 16 2HD2 LEU 16 2.728 3.607 2.550 137 H GLU 17 H GLU 17 -2.078 7.145 3.498 138 HA GLU 17 HA GLU 17 -3.401 6.991 6.036 139 HB2 GLU 17 2HB GLU 17 -3.469 9.101 3.845 140 HB3 GLU 17 3HB GLU 17 -4.149 9.323 5.460 141 HG2 GLU 17 2HG GLU 17 -1.956 9.146 6.486 142 HG3 GLU 17 3HG GLU 17 -1.225 8.672 4.953 143 H ILE 18 H ILE 18 -4.611 6.993 2.674 144 HA ILE 18 HA ILE 18 -7.378 6.847 3.287 145 HB ILE 18 HB ILE 18 -5.916 5.922 0.766 146 HG12 ILE 18 2HG1 ILE 18 -7.500 8.493 1.218 147 HG13 ILE 18 3HG1 ILE 18 -5.745 8.387 1.262 148 HG21 ILE 18 1HG2 ILE 18 -8.903 6.318 1.159 149 HG22 ILE 18 2HG2 ILE 18 -8.084 4.773 0.925 150 HG23 ILE 18 3HG2 ILE 18 -8.115 5.960 -0.378 151 HD11 ILE 18 3HD1 ILE 18 -7.474 7.816 -1.151 152 HD12 ILE 18 1HD1 ILE 18 -5.709 7.734 -1.087 153 HD13 ILE 18 2HD1 ILE 18 -6.529 9.276 -0.854 154 H ALA 19 H ALA 19 -4.868 4.311 2.617 155 HA ALA 19 HA ALA 19 -6.590 2.083 2.861 156 HB1 ALA 19 3HB ALA 19 -4.589 0.741 3.278 157 HB2 ALA 19 1HB ALA 19 -3.644 2.210 3.550 158 HB3 ALA 19 2HB ALA 19 -4.325 1.878 1.955 159 H LEU 20 H LEU 20 -4.844 3.950 5.275 160 HA LEU 20 HA LEU 20 -5.088 2.317 7.519 161 HB2 LEU 20 2HB LEU 20 -3.593 4.246 7.429 162 HB3 LEU 20 3HB LEU 20 -4.951 5.345 7.283 163 HG LEU 20 HG LEU 20 -5.642 4.801 9.620 164 HD11 LEU 20 1HD1 LEU 20 -4.786 2.528 9.812 165 HD12 LEU 20 2HD1 LEU 20 -4.186 3.542 11.119 166 HD13 LEU 20 3HD1 LEU 20 -3.124 3.127 9.771 167 HD21 LEU 20 3HD2 LEU 20 -2.763 5.735 9.408 168 HD22 LEU 20 1HD2 LEU 20 -3.855 6.011 10.770 169 HD23 LEU 20 2HD2 LEU 20 -4.200 6.742 9.205 170 H LYS 21 H LYS 21 -7.396 4.662 6.158 171 HA LYS 21 HA LYS 21 -9.258 4.516 8.327 172 HB2 LYS 21 2HB LYS 21 -10.674 5.939 7.123 173 HB3 LYS 21 3HB LYS 21 -9.085 6.391 6.528 174 HG2 LYS 21 2HG LYS 21 -9.538 4.919 4.521 175 HG3 LYS 21 3HG LYS 21 -11.178 4.717 5.098 176 HD2 LYS 21 2HD LYS 21 -9.966 7.446 4.507 177 HD3 LYS 21 3HD LYS 21 -10.787 6.488 3.278 178 HE2 LYS 21 2HE LYS 21 -12.360 8.099 4.135 179 HE3 LYS 21 3HE LYS 21 -12.851 6.516 4.731 180 HZ1 LYS 21 3HZ LYS 21 -11.829 7.064 6.865 181 HZ2 LYS 21 1HZ LYS 21 -13.000 8.205 6.441 182 HZ3 LYS 21 2HZ LYS 21 -11.366 8.573 6.273 183 H PHE 22 H PHE 22 -8.784 2.601 5.384 184 HA PHE 22 HA PHE 22 -11.278 1.154 5.542 185 HB2 PHE 22 2HB PHE 22 -8.714 0.708 3.956 186 HB3 PHE 22 3HB PHE 22 -10.001 -0.496 3.950 187 HD1 PHE 22 HD1 PHE 22 -9.077 2.928 2.894 188 HD2 PHE 22 HD2 PHE 22 -12.084 -0.101 2.751 189 HE1 PHE 22 HE1 PHE 22 -10.227 4.156 1.102 190 HE2 PHE 22 HE2 PHE 22 -13.228 1.132 0.960 191 HZ PHE 22 HZ PHE 22 -12.305 3.260 0.135 192 H ILE 23 H ILE 23 -7.931 0.538 6.601 193 HA ILE 23 HA ILE 23 -8.383 -2.138 7.505 194 HB ILE 23 HB ILE 23 -6.127 -0.212 8.266 195 HG12 ILE 23 2HG1 ILE 23 -6.169 -0.552 5.824 196 HG13 ILE 23 3HG1 ILE 23 -4.774 -1.365 6.512 197 HG21 ILE 23 1HG2 ILE 23 -4.835 -2.249 8.848 198 HG22 ILE 23 2HG2 ILE 23 -6.262 -3.241 8.535 199 HG23 ILE 23 3HG2 ILE 23 -6.272 -2.069 9.855 200 HD11 ILE 23 3HD1 ILE 23 -7.336 -2.676 5.607 201 HD12 ILE 23 1HD1 ILE 23 -5.953 -3.516 6.322 202 HD13 ILE 23 2HD1 ILE 23 -5.784 -2.687 4.776 203 H SER 24 H SER 24 -8.488 1.076 8.981 204 HA SER 24 HA SER 24 -8.977 0.473 11.661 205 HB2 SER 24 2HB SER 24 -8.575 2.768 10.856 206 HB3 SER 24 3HB SER 24 -10.100 2.756 9.971 207 HG SER 24 HG SER 24 -10.612 2.125 12.511 208 H GLN 25 H GLN 25 -11.156 0.422 8.876 209 HA GLN 25 HA GLN 25 -13.552 -0.142 10.438 210 HB2 GLN 25 2HB GLN 25 -13.043 0.095 7.447 211 HB3 GLN 25 3HB GLN 25 -14.623 -0.269 8.131 212 HG2 GLN 25 2HG GLN 25 -14.692 1.902 9.236 213 HG3 GLN 25 3HG GLN 25 -13.061 2.274 8.669 214 HE21 GLN 25 1HE2 GLN 25 -12.755 2.788 6.454 215 HE22 GLN 25 2HE2 GLN 25 -14.075 3.202 5.416 216 H GLY 26 H GLY 26 -10.965 -1.989 9.314 217 HA2 GLY 26 2HA GLY 26 -10.612 -4.266 9.294 218 HA3 GLY 26 3HA GLY 26 -12.288 -4.521 9.759 219 H LEU 27 H LEU 27 -11.316 -2.667 6.960 220 HA LEU 27 HA LEU 27 -12.758 -4.490 5.182 221 HB2 LEU 27 2HB LEU 27 -11.779 -1.645 4.705 222 HB3 LEU 27 3HB LEU 27 -12.726 -2.595 3.567 223 HG LEU 27 HG LEU 27 -13.679 -1.641 6.294 224 HD11 LEU 27 1HD1 LEU 27 -15.192 -0.171 5.049 225 HD12 LEU 27 2HD1 LEU 27 -14.467 -0.694 3.523 226 HD13 LEU 27 3HD1 LEU 27 -13.503 0.197 4.705 227 HD21 LEU 27 3HD2 LEU 27 -15.896 -2.485 5.601 228 HD22 LEU 27 1HD2 LEU 27 -14.705 -3.774 5.759 229 HD23 LEU 27 2HD2 LEU 27 -15.168 -3.192 4.157 230 H ASP 28 H ASP 28 -11.815 -5.520 3.484 231 HA ASP 28 HA ASP 28 -8.931 -5.511 3.166 232 HB2 ASP 28 2HB ASP 28 -10.421 -7.588 2.910 233 HB3 ASP 28 3HB ASP 28 -10.975 -6.917 1.390 234 H LEU 29 H LEU 29 -7.861 -4.710 1.344 235 HA LEU 29 HA LEU 29 -9.220 -3.017 -0.595 236 HB2 LEU 29 2HB LEU 29 -9.045 -1.516 1.363 237 HB3 LEU 29 3HB LEU 29 -7.340 -1.902 1.543 238 HG LEU 29 HG LEU 29 -6.898 -0.815 -0.690 239 HD11 LEU 29 1HD1 LEU 29 -9.771 0.106 -0.531 240 HD12 LEU 29 2HD1 LEU 29 -9.109 -1.051 -1.690 241 HD13 LEU 29 3HD1 LEU 29 -8.562 0.620 -1.710 242 HD21 LEU 29 3HD2 LEU 29 -8.183 0.993 1.357 243 HD22 LEU 29 1HD2 LEU 29 -7.061 1.485 0.085 244 HD23 LEU 29 2HD2 LEU 29 -6.515 0.415 1.375 245 H GLU 30 H GLU 30 -8.020 -2.913 -2.434 246 HA GLU 30 HA GLU 30 -5.222 -3.897 -2.416 247 HB2 GLU 30 2HB GLU 30 -6.902 -5.165 -3.802 248 HB3 GLU 30 3HB GLU 30 -7.222 -3.699 -4.721 249 HG2 GLU 30 2HG GLU 30 -4.954 -3.692 -5.608 250 HG3 GLU 30 3HG GLU 30 -4.511 -5.063 -4.588 251 H VAL 31 H VAL 31 -3.774 -2.259 -2.474 252 HA VAL 31 HA VAL 31 -4.426 0.208 -4.027 253 HB VAL 31 HB VAL 31 -2.574 1.346 -2.719 254 HG11 VAL 31 1HG1 VAL 31 -4.924 0.367 -1.056 255 HG12 VAL 31 2HG1 VAL 31 -4.925 1.744 -2.164 256 HG13 VAL 31 3HG1 VAL 31 -3.927 1.787 -0.710 257 HG21 VAL 31 3HG2 VAL 31 -2.716 -1.079 -0.884 258 HG22 VAL 31 1HG2 VAL 31 -1.829 0.417 -0.562 259 HG23 VAL 31 2HG2 VAL 31 -1.348 -0.625 -1.902 260 H GLU 32 H GLU 32 -2.807 1.068 -5.330 261 HA GLU 32 HA GLU 32 -0.456 -0.547 -5.992 262 HB2 GLU 32 2HB GLU 32 -2.100 -1.252 -7.684 263 HB3 GLU 32 3HB GLU 32 -2.512 0.425 -8.049 264 HG2 GLU 32 2HG GLU 32 -0.204 0.804 -8.905 265 HG3 GLU 32 3HG GLU 32 0.210 -0.867 -8.530 266 H PHE 33 H PHE 33 1.256 0.727 -6.175 267 HA PHE 33 HA PHE 33 0.947 3.620 -6.405 268 HB2 PHE 33 2HB PHE 33 2.540 2.603 -4.732 269 HB3 PHE 33 3HB PHE 33 3.504 2.004 -6.078 270 HD1 PHE 33 HD1 PHE 33 1.912 5.342 -6.294 271 HD2 PHE 33 HD2 PHE 33 5.462 3.209 -5.223 272 HE1 PHE 33 HE1 PHE 33 3.180 7.434 -6.269 273 HE2 PHE 33 HE2 PHE 33 6.691 5.319 -5.205 274 HZ PHE 33 HZ PHE 33 5.568 7.425 -5.742 275 H ASP 34 H ASP 34 0.790 4.403 -8.335 276 HA ASP 34 HA ASP 34 1.475 3.010 -10.749 277 HB2 ASP 34 2HB ASP 34 -0.556 4.422 -10.577 278 HB3 ASP 34 3HB ASP 34 0.437 5.839 -10.251 279 H SER 35 H SER 35 3.751 2.736 -10.514 280 HA SER 35 HA SER 35 5.430 4.889 -11.418 281 HB2 SER 35 2HB SER 35 5.317 5.422 -8.985 282 HB3 SER 35 3HB SER 35 5.862 3.793 -8.592 283 HG SER 35 HG SER 35 7.313 5.957 -9.200 284 H THR 36 H THR 36 7.183 4.101 -12.434 285 HA THR 36 HA THR 36 8.015 1.275 -12.071 286 HB THR 36 HB THR 36 9.092 1.565 -14.375 287 HG1 THR 36 HG1 THR 36 9.060 3.834 -14.484 288 HG21 THR 36 3HG2 THR 36 7.008 1.222 -15.652 289 HG22 THR 36 1HG2 THR 36 6.058 1.806 -14.281 290 HG23 THR 36 2HG2 THR 36 6.982 0.307 -14.144 291 H ASP 37 H ASP 37 8.767 4.062 -10.813 292 HA ASP 37 HA ASP 37 11.655 4.187 -11.255 293 HB2 ASP 37 2HB ASP 37 10.318 6.281 -10.901 294 HB3 ASP 37 3HB ASP 37 9.888 5.726 -9.286 295 H ASP 38 H ASP 38 12.939 2.816 -10.206 296 HA ASP 38 HA ASP 38 12.359 0.829 -8.466 297 HB2 ASP 38 2HB ASP 38 14.986 2.380 -8.572 298 HB3 ASP 38 3HB ASP 38 14.788 0.794 -7.832 299 H LYS 39 H LYS 39 13.482 4.064 -7.470 300 HA LYS 39 HA LYS 39 13.773 3.396 -4.705 301 HB2 LYS 39 2HB LYS 39 13.774 6.089 -6.134 302 HB3 LYS 39 3HB LYS 39 14.073 5.904 -4.413 303 HG2 LYS 39 2HG LYS 39 16.208 6.114 -5.412 304 HG3 LYS 39 3HG LYS 39 16.041 4.401 -5.017 305 HD2 LYS 39 2HD LYS 39 15.442 3.946 -7.404 306 HD3 LYS 39 3HD LYS 39 15.657 5.660 -7.763 307 HE2 LYS 39 2HE LYS 39 17.823 3.766 -6.790 308 HE3 LYS 39 3HE LYS 39 17.630 4.372 -8.436 309 HZ1 LYS 39 3HZ LYS 39 17.986 6.624 -7.595 310 HZ2 LYS 39 1HZ LYS 39 19.306 5.618 -7.270 311 HZ3 LYS 39 2HZ LYS 39 18.226 6.016 -6.036 312 H GLU 40 H GLU 40 11.308 5.035 -6.615 313 HA GLU 40 HA GLU 40 9.592 5.904 -4.552 314 HB2 GLU 40 2HB GLU 40 9.173 5.257 -7.495 315 HB3 GLU 40 3HB GLU 40 7.821 5.743 -6.490 316 HG2 GLU 40 2HG GLU 40 10.305 7.397 -7.017 317 HG3 GLU 40 3HG GLU 40 8.734 7.620 -7.782 318 H ILE 41 H ILE 41 9.703 2.918 -6.433 319 HA ILE 41 HA ILE 41 7.490 1.554 -5.353 320 HB ILE 41 HB ILE 41 10.050 0.611 -6.710 321 HG12 ILE 41 2HG1 ILE 41 7.180 0.685 -7.755 322 HG13 ILE 41 3HG1 ILE 41 8.379 1.933 -8.061 323 HG21 ILE 41 1HG2 ILE 41 7.699 -1.152 -5.982 324 HG22 ILE 41 2HG2 ILE 41 9.312 -1.231 -5.270 325 HG23 ILE 41 3HG2 ILE 41 9.078 -1.626 -6.970 326 HD11 ILE 41 3HD1 ILE 41 8.532 -0.933 -8.993 327 HD12 ILE 41 1HD1 ILE 41 9.755 0.311 -9.277 328 HD13 ILE 41 2HD1 ILE 41 8.143 0.482 -9.970 329 H GLU 42 H GLU 42 10.900 1.721 -4.373 330 HA GLU 42 HA GLU 42 10.867 -0.305 -2.396 331 HB2 GLU 42 2HB GLU 42 12.715 2.084 -2.768 332 HB3 GLU 42 3HB GLU 42 12.986 0.822 -1.570 333 HG2 GLU 42 2HG GLU 42 13.263 -0.852 -3.307 334 HG3 GLU 42 3HG GLU 42 12.828 0.309 -4.555 335 H GLU 43 H GLU 43 10.341 3.212 -2.228 336 HA GLU 43 HA GLU 43 9.928 3.291 0.587 337 HB2 GLU 43 2HB GLU 43 9.057 5.311 -1.517 338 HB3 GLU 43 3HB GLU 43 9.037 5.576 0.226 339 HG2 GLU 43 2HG GLU 43 11.591 5.012 0.123 340 HG3 GLU 43 3HG GLU 43 11.427 5.300 -1.609 341 H PHE 44 H PHE 44 7.721 2.709 -2.153 342 HA PHE 44 HA PHE 44 5.287 2.842 -0.699 343 HB2 PHE 44 2HB PHE 44 5.353 2.754 -3.174 344 HB3 PHE 44 3HB PHE 44 5.981 1.112 -3.116 345 HD1 PHE 44 HD1 PHE 44 3.069 2.856 -1.423 346 HD2 PHE 44 HD2 PHE 44 4.352 -0.391 -3.903 347 HE1 PHE 44 HE1 PHE 44 0.741 2.031 -1.562 348 HE2 PHE 44 HE2 PHE 44 2.036 -1.206 -4.021 349 HZ PHE 44 HZ PHE 44 0.238 -0.004 -2.859 350 H GLU 45 H GLU 45 7.632 0.220 -1.266 351 HA GLU 45 HA GLU 45 6.304 -1.904 -0.017 352 HB2 GLU 45 2HB GLU 45 9.282 -1.359 -0.341 353 HB3 GLU 45 3HB GLU 45 8.638 -2.886 0.266 354 HG2 GLU 45 2HG GLU 45 7.455 -3.257 -1.839 355 HG3 GLU 45 3HG GLU 45 8.019 -1.701 -2.450 356 H ARG 46 H ARG 46 8.879 0.201 1.379 357 HA ARG 46 HA ARG 46 8.938 -1.010 3.897 358 HB2 ARG 46 2HB ARG 46 10.236 0.890 4.687 359 HB3 ARG 46 3HB ARG 46 10.740 0.507 3.047 360 HG2 ARG 46 2HG ARG 46 9.559 2.412 2.157 361 HG3 ARG 46 3HG ARG 46 8.778 2.728 3.702 362 HD2 ARG 46 2HD ARG 46 11.077 3.214 4.653 363 HD3 ARG 46 3HD ARG 46 11.703 3.115 2.999 364 HE ARG 46 HE ARG 46 9.530 4.886 3.002 365 HH11 ARG 46 1HH1 ARG 46 12.787 4.778 4.359 366 HH12 ARG 46 2HH1 ARG 46 12.970 6.503 4.357 367 HH21 ARG 46 1HH2 ARG 46 9.786 7.141 3.008 368 HH22 ARG 46 2HH2 ARG 46 11.263 7.843 3.586 369 H ASP 47 H ASP 47 7.110 1.823 2.779 370 HA ASP 47 HA ASP 47 5.908 2.432 5.264 371 HB2 ASP 47 2HB ASP 47 5.402 3.298 2.406 372 HB3 ASP 47 3HB ASP 47 4.347 3.840 3.704 373 H MET 48 H MET 48 4.725 0.395 2.558 374 HA MET 48 HA MET 48 2.113 -0.113 3.604 375 HB2 MET 48 2HB MET 48 3.891 -1.710 1.724 376 HB3 MET 48 3HB MET 48 2.300 -2.290 2.192 377 HG2 MET 48 2HG MET 48 2.645 0.415 0.914 378 HG3 MET 48 3HG MET 48 2.562 -1.045 -0.056 379 HE1 MET 48 3HE MET 48 0.512 0.872 2.854 380 HE2 MET 48 1HE MET 48 -0.949 1.132 1.903 381 HE3 MET 48 2HE MET 48 0.586 1.814 1.364 382 H GLU 49 H GLU 49 5.240 -1.754 3.972 383 HA GLU 49 HA GLU 49 4.443 -3.885 5.659 384 HB2 GLU 49 2HB GLU 49 7.150 -2.499 5.346 385 HB3 GLU 49 3HB GLU 49 6.909 -3.991 6.255 386 HG2 GLU 49 2HG GLU 49 6.255 -5.181 4.239 387 HG3 GLU 49 3HG GLU 49 6.283 -3.687 3.304 388 H ASP 50 H ASP 50 5.647 -0.631 6.301 389 HA ASP 50 HA ASP 50 5.895 -0.678 9.093 390 HB2 ASP 50 2HB ASP 50 6.899 1.099 7.762 391 HB3 ASP 50 3HB ASP 50 5.341 1.571 7.102 392 H LEU 51 H LEU 51 3.232 0.424 7.026 393 HA LEU 51 HA LEU 51 1.321 1.034 8.975 394 HB2 LEU 51 2HB LEU 51 1.204 1.679 6.543 395 HB3 LEU 51 3HB LEU 51 0.838 0.010 6.143 396 HG LEU 51 HG LEU 51 -1.302 0.175 7.428 397 HD11 LEU 51 1HD1 LEU 51 -0.682 1.845 9.077 398 HD12 LEU 51 2HD1 LEU 51 -2.131 2.340 8.207 399 HD13 LEU 51 3HD1 LEU 51 -0.578 3.089 7.824 400 HD21 LEU 51 3HD2 LEU 51 -1.018 2.331 5.308 401 HD22 LEU 51 1HD2 LEU 51 -2.529 1.593 5.854 402 HD23 LEU 51 2HD2 LEU 51 -1.327 0.617 5.012 403 H ALA 52 H ALA 52 2.059 -2.042 7.309 404 HA ALA 52 HA ALA 52 -0.063 -3.593 8.317 405 HB1 ALA 52 3HB ALA 52 1.286 -4.251 6.377 406 HB2 ALA 52 1HB ALA 52 1.249 -5.526 7.594 407 HB3 ALA 52 2HB ALA 52 2.686 -4.513 7.420 408 H LYS 53 H LYS 53 3.245 -3.073 9.586 409 HA LYS 53 HA LYS 53 3.059 -4.851 11.771 410 HB2 LYS 53 2HB LYS 53 4.945 -2.704 10.949 411 HB3 LYS 53 3HB LYS 53 4.808 -2.865 12.692 412 HG2 LYS 53 2HG LYS 53 6.629 -4.243 12.096 413 HG3 LYS 53 3HG LYS 53 5.291 -5.348 12.390 414 HD2 LYS 53 2HD LYS 53 6.360 -6.178 10.442 415 HD3 LYS 53 3HD LYS 53 4.923 -5.344 9.839 416 HE2 LYS 53 2HE LYS 53 6.915 -4.856 8.468 417 HE3 LYS 53 3HE LYS 53 6.303 -3.393 9.238 418 HZ1 LYS 53 3HZ LYS 53 8.718 -3.552 9.330 419 HZ2 LYS 53 1HZ LYS 53 8.622 -5.006 10.180 420 HZ3 LYS 53 2HZ LYS 53 8.066 -3.572 10.890 421 H LYS 54 H LYS 54 2.417 -1.354 11.531 422 HA LYS 54 HA LYS 54 1.701 -0.711 14.131 423 HB2 LYS 54 2HB LYS 54 0.655 0.334 11.474 424 HB3 LYS 54 3HB LYS 54 0.181 1.051 13.011 425 HG2 LYS 54 2HG LYS 54 2.439 1.725 13.483 426 HG3 LYS 54 3HG LYS 54 3.055 0.858 12.067 427 HD2 LYS 54 2HD LYS 54 1.918 2.369 10.553 428 HD3 LYS 54 3HD LYS 54 1.027 3.126 11.877 429 HE2 LYS 54 2HE LYS 54 3.002 4.169 12.718 430 HE3 LYS 54 3HE LYS 54 4.037 3.222 11.649 431 HZ1 LYS 54 3HZ LYS 54 3.724 5.504 10.870 432 HZ2 LYS 54 1HZ LYS 54 2.060 5.249 10.734 433 HZ3 LYS 54 2HZ LYS 54 3.134 4.378 9.757 434 H THR 55 H THR 55 -0.372 -1.894 11.529 435 HA THR 55 HA THR 55 -2.762 -1.902 13.177 436 HB THR 55 HB THR 55 -3.882 -2.542 11.047 437 HG1 THR 55 HG1 THR 55 -1.761 -2.200 9.391 438 HG21 THR 55 3HG2 THR 55 -3.348 -0.490 9.739 439 HG22 THR 55 1HG2 THR 55 -1.890 -0.245 10.717 440 HG23 THR 55 2HG2 THR 55 -3.489 -0.128 11.459 441 H GLY 56 H GLY 56 -0.217 -4.090 12.503 442 HA2 GLY 56 2HA GLY 56 0.123 -6.239 13.230 443 HA3 GLY 56 3HA GLY 56 -1.512 -6.292 13.869 444 H VAL 57 H VAL 57 -1.189 -5.419 10.532 445 HA VAL 57 HA VAL 57 -2.585 -7.929 9.794 446 HB VAL 57 HB VAL 57 -3.566 -6.865 7.906 447 HG11 VAL 57 1HG1 VAL 57 -4.849 -5.029 8.894 448 HG12 VAL 57 2HG1 VAL 57 -3.673 -4.897 10.205 449 HG13 VAL 57 3HG1 VAL 57 -4.644 -6.362 10.033 450 HG21 VAL 57 3HG2 VAL 57 -1.692 -5.586 7.016 451 HG22 VAL 57 1HG2 VAL 57 -1.801 -4.431 8.349 452 HG23 VAL 57 2HG2 VAL 57 -3.110 -4.545 7.165 453 H GLN 58 H GLN 58 -2.209 -8.551 7.412 454 HA GLN 58 HA GLN 58 0.693 -8.732 6.886 455 HB2 GLN 58 2HB GLN 58 -1.543 -10.545 5.879 456 HB3 GLN 58 3HB GLN 58 0.184 -10.801 5.647 457 HG2 GLN 58 2HG GLN 58 0.438 -11.088 8.109 458 HG3 GLN 58 3HG GLN 58 -1.307 -10.889 8.286 459 HE21 GLN 58 1HE2 GLN 58 -1.628 -12.953 9.134 460 HE22 GLN 58 2HE2 GLN 58 -1.449 -14.393 8.202 461 H ILE 59 H ILE 59 1.434 -8.506 4.673 462 HA ILE 59 HA ILE 59 -0.447 -7.077 2.855 463 HB ILE 59 HB ILE 59 1.426 -5.929 1.832 464 HG12 ILE 59 2HG1 ILE 59 3.316 -7.349 3.771 465 HG13 ILE 59 3HG1 ILE 59 3.136 -7.769 2.071 466 HG21 ILE 59 1HG2 ILE 59 0.467 -4.909 3.863 467 HG22 ILE 59 2HG2 ILE 59 2.167 -4.488 3.663 468 HG23 ILE 59 3HG2 ILE 59 1.692 -5.711 4.844 469 HD11 ILE 59 3HD1 ILE 59 5.103 -6.417 2.433 470 HD12 ILE 59 1HD1 ILE 59 4.126 -5.121 3.128 471 HD13 ILE 59 2HD1 ILE 59 3.939 -5.561 1.425 472 H GLN 60 H GLN 60 -0.000 -7.400 0.526 473 HA GLN 60 HA GLN 60 1.396 -9.899 -0.199 474 HB2 GLN 60 2HB GLN 60 -1.192 -10.167 0.054 475 HB3 GLN 60 3HB GLN 60 -1.336 -9.157 -1.371 476 HG2 GLN 60 2HG GLN 60 0.124 -11.817 -1.286 477 HG3 GLN 60 3HG GLN 60 -1.539 -11.617 -1.804 478 HE21 GLN 60 1HE2 GLN 60 1.786 -11.254 -2.706 479 HE22 GLN 60 2HE2 GLN 60 1.509 -10.825 -4.354 480 H LYS 61 H LYS 61 3.089 -8.897 -1.244 481 HA LYS 61 HA LYS 61 2.726 -6.620 -2.988 482 HB2 LYS 61 2HB LYS 61 5.178 -8.393 -2.552 483 HB3 LYS 61 3HB LYS 61 5.166 -6.902 -3.493 484 HG2 LYS 61 2HG LYS 61 4.533 -5.645 -1.438 485 HG3 LYS 61 3HG LYS 61 4.644 -7.144 -0.512 486 HD2 LYS 61 2HD LYS 61 7.056 -7.321 -1.119 487 HD3 LYS 61 3HD LYS 61 6.938 -5.808 -2.021 488 HE2 LYS 61 2HE LYS 61 6.451 -4.583 0.031 489 HE3 LYS 61 3HE LYS 61 6.418 -6.085 0.959 490 HZ1 LYS 61 3HZ LYS 61 8.791 -4.981 -0.444 491 HZ2 LYS 61 1HZ LYS 61 8.749 -6.409 0.456 492 HZ3 LYS 61 2HZ LYS 61 8.515 -4.920 1.222 493 H GLN 62 H GLN 62 1.936 -6.827 -4.961 494 HA GLN 62 HA GLN 62 2.469 -9.213 -6.636 495 HB2 GLN 62 2HB GLN 62 0.124 -9.296 -5.964 496 HB3 GLN 62 3HB GLN 62 -0.103 -7.584 -6.306 497 HG2 GLN 62 2HG GLN 62 -1.155 -8.954 -8.043 498 HG3 GLN 62 3HG GLN 62 0.181 -8.022 -8.720 499 HE21 GLN 62 1HE2 GLN 62 0.605 -9.367 -10.437 500 HE22 GLN 62 2HE2 GLN 62 1.171 -10.990 -10.267 501 H TRP 63 H TRP 63 3.733 -8.589 -8.299 502 HA TRP 63 HA TRP 63 3.834 -5.872 -9.281 503 HB2 TRP 63 2HB TRP 63 5.145 -8.478 -10.176 504 HB3 TRP 63 3HB TRP 63 5.358 -6.960 -11.050 505 HD1 TRP 63 HD1 TRP 63 6.533 -8.752 -7.884 506 HE1 TRP 63 HE1 TRP 63 8.333 -7.313 -6.741 507 HE3 TRP 63 HE3 TRP 63 6.062 -4.494 -10.678 508 HZ2 TRP 63 HZ2 TRP 63 9.417 -4.714 -6.996 509 HZ3 TRP 63 HZ3 TRP 63 7.512 -2.576 -10.169 510 HH2 TRP 63 HH2 TRP 63 9.155 -2.691 -8.367 511 H GLN 64 H GLN 64 2.314 -5.067 -10.638 512 HA GLN 64 HA GLN 64 0.606 -6.887 -12.194 513 HB2 GLN 64 2HB GLN 64 -0.428 -5.298 -10.457 514 HB3 GLN 64 3HB GLN 64 0.145 -3.959 -11.442 515 HG2 GLN 64 2HG GLN 64 -2.117 -4.201 -12.044 516 HG3 GLN 64 3HG GLN 64 -1.248 -4.986 -13.363 517 HE21 GLN 64 1HE2 GLN 64 -1.323 -7.297 -13.481 518 HE22 GLN 64 2HE2 GLN 64 -2.549 -8.192 -12.662 519 H GLY 65 H GLY 65 2.144 -7.128 -13.867 520 HA2 GLY 65 2HA GLY 65 3.029 -6.670 -15.935 521 HA3 GLY 65 3HA GLY 65 2.281 -5.080 -15.888 522 H ASN 66 H ASN 66 3.376 -3.429 -14.547 523 HA ASN 66 HA ASN 66 6.300 -3.765 -14.230 524 HB2 ASN 66 2HB ASN 66 4.989 -1.541 -15.872 525 HB3 ASN 66 3HB ASN 66 6.691 -1.575 -15.413 526 HD21 ASN 66 1HD2 ASN 66 8.079 -3.078 -16.427 527 HD22 ASN 66 2HD2 ASN 66 7.626 -3.902 -17.876 528 H LYS 67 H LYS 67 3.504 -2.959 -12.817 529 HA LYS 67 HA LYS 67 4.524 -0.681 -11.200 530 HB2 LYS 67 2HB LYS 67 1.642 -1.645 -11.532 531 HB3 LYS 67 3HB LYS 67 2.171 -0.202 -10.671 532 HG2 LYS 67 2HG LYS 67 2.505 -0.642 -13.650 533 HG3 LYS 67 3HG LYS 67 1.177 0.255 -12.909 534 HD2 LYS 67 2HD LYS 67 2.727 1.924 -12.030 535 HD3 LYS 67 3HD LYS 67 4.116 0.993 -12.604 536 HE2 LYS 67 2HE LYS 67 3.535 2.948 -14.059 537 HE3 LYS 67 3HE LYS 67 3.506 1.402 -14.914 538 HZ1 LYS 67 3HZ LYS 67 1.099 2.750 -13.831 539 HZ2 LYS 67 1HZ LYS 67 1.131 1.367 -14.787 540 HZ3 LYS 67 2HZ LYS 67 1.605 2.853 -15.434 541 H LEU 68 H LEU 68 4.281 -0.855 -8.875 542 HA LEU 68 HA LEU 68 3.961 -3.614 -7.896 543 HB2 LEU 68 2HB LEU 68 5.942 -2.352 -7.112 544 HB3 LEU 68 3HB LEU 68 4.886 -1.138 -6.398 545 HG LEU 68 HG LEU 68 3.956 -2.848 -4.835 546 HD11 LEU 68 1HD1 LEU 68 4.211 -4.849 -6.201 547 HD12 LEU 68 2HD1 LEU 68 4.971 -5.065 -4.627 548 HD13 LEU 68 3HD1 LEU 68 5.969 -4.761 -6.053 549 HD21 LEU 68 3HD2 LEU 68 5.912 -3.081 -3.399 550 HD22 LEU 68 1HD2 LEU 68 5.831 -1.475 -4.121 551 HD23 LEU 68 2HD2 LEU 68 6.971 -2.666 -4.751 552 H ARG 69 H ARG 69 2.160 -4.231 -7.057 553 HA ARG 69 HA ARG 69 0.080 -2.360 -6.117 554 HB2 ARG 69 2HB ARG 69 -0.499 -3.274 -8.324 555 HB3 ARG 69 3HB ARG 69 -0.218 -4.921 -7.762 556 HG2 ARG 69 2HG ARG 69 -2.139 -4.752 -6.241 557 HG3 ARG 69 3HG ARG 69 -2.387 -3.065 -6.705 558 HD2 ARG 69 2HD ARG 69 -2.610 -5.459 -8.561 559 HD3 ARG 69 3HD ARG 69 -3.963 -4.577 -7.844 560 HE ARG 69 HE ARG 69 -2.061 -3.078 -9.491 561 HH11 ARG 69 1HH1 ARG 69 -5.278 -4.544 -9.283 562 HH12 ARG 69 2HH1 ARG 69 -5.878 -3.660 -10.650 563 HH21 ARG 69 1HH2 ARG 69 -2.859 -1.932 -11.224 564 HH22 ARG 69 2HH2 ARG 69 -4.493 -2.169 -11.755 565 H ILE 70 H ILE 70 -0.082 -2.664 -3.976 566 HA ILE 70 HA ILE 70 0.479 -5.342 -2.810 567 HB ILE 70 HB ILE 70 0.891 -2.588 -1.546 568 HG12 ILE 70 2HG1 ILE 70 2.879 -4.755 -2.381 569 HG13 ILE 70 3HG1 ILE 70 2.652 -3.202 -3.169 570 HG21 ILE 70 1HG2 ILE 70 1.317 -5.340 -0.315 571 HG22 ILE 70 2HG2 ILE 70 0.069 -4.180 0.145 572 HG23 ILE 70 3HG2 ILE 70 1.767 -3.804 0.432 573 HD11 ILE 70 3HD1 ILE 70 4.670 -3.289 -1.803 574 HD12 ILE 70 1HD1 ILE 70 3.699 -3.573 -0.360 575 HD13 ILE 70 2HD1 ILE 70 3.548 -2.051 -1.248 576 H ARG 71 H ARG 71 -1.276 -6.316 -1.991 577 HA ARG 71 HA ARG 71 -3.705 -4.751 -1.485 578 HB2 ARG 71 2HB ARG 71 -3.924 -6.746 -2.940 579 HB3 ARG 71 3HB ARG 71 -3.339 -7.777 -1.635 580 HG2 ARG 71 2HG ARG 71 -5.313 -7.292 -0.293 581 HG3 ARG 71 3HG ARG 71 -5.859 -6.088 -1.464 582 HD2 ARG 71 2HD ARG 71 -7.146 -8.141 -1.710 583 HD3 ARG 71 3HD ARG 71 -6.159 -7.873 -3.145 584 HE ARG 71 HE ARG 71 -4.967 -9.767 -2.682 585 HH11 ARG 71 1HH1 ARG 71 -6.954 -9.040 0.168 586 HH12 ARG 71 2HH1 ARG 71 -6.633 -10.573 0.914 587 HH21 ARG 71 1HH2 ARG 71 -4.592 -11.760 -1.692 588 HH22 ARG 71 2HH2 ARG 71 -5.292 -12.103 -0.155 589 H LEU 72 H LEU 72 -4.378 -4.343 0.475 590 HA LEU 72 HA LEU 72 -3.017 -5.414 2.854 591 HB2 LEU 72 2HB LEU 72 -4.685 -2.881 2.544 592 HB3 LEU 72 3HB LEU 72 -3.814 -3.378 3.989 593 HG LEU 72 HG LEU 72 -2.619 -2.443 1.355 594 HD11 LEU 72 1HD1 LEU 72 -2.538 -1.231 4.129 595 HD12 LEU 72 2HD1 LEU 72 -3.484 -0.662 2.752 596 HD13 LEU 72 3HD1 LEU 72 -1.730 -0.605 2.688 597 HD21 LEU 72 3HD2 LEU 72 -0.406 -2.673 2.387 598 HD22 LEU 72 1HD2 LEU 72 -1.209 -4.231 2.210 599 HD23 LEU 72 2HD2 LEU 72 -1.131 -3.457 3.796 600 H LYS 73 H LYS 73 -4.208 -6.467 4.307 601 HA LYS 73 HA LYS 73 -7.140 -6.763 3.924 602 HB2 LYS 73 2HB LYS 73 -6.681 -8.973 5.215 603 HB3 LYS 73 3HB LYS 73 -6.167 -8.864 3.535 604 HG2 LYS 73 2HG LYS 73 -3.843 -8.218 4.436 605 HG3 LYS 73 3HG LYS 73 -4.436 -8.724 6.015 606 HD2 LYS 73 2HD LYS 73 -3.208 -10.561 5.022 607 HD3 LYS 73 3HD LYS 73 -4.922 -10.994 5.047 608 HE2 LYS 73 2HE LYS 73 -5.103 -10.351 2.659 609 HE3 LYS 73 3HE LYS 73 -3.387 -9.918 2.656 610 HZ1 LYS 73 3HZ LYS 73 -2.864 -12.227 3.210 611 HZ2 LYS 73 1HZ LYS 73 -3.710 -12.120 1.749 612 HZ3 LYS 73 2HZ LYS 73 -4.501 -12.629 3.148 613 H GLY 74 H GLY 74 -8.477 -6.845 5.882 614 HA2 GLY 74 2HA GLY 74 -7.389 -4.975 7.908 615 HA3 GLY 74 3HA GLY 74 -9.046 -5.001 7.328 616 H SER 75 H SER 75 -6.746 -6.471 9.449 617 HA SER 75 HA SER 75 -6.978 -7.453 11.465 618 HB2 SER 75 2HB SER 75 -9.978 -6.988 11.156 619 HB3 SER 75 3HB SER 75 -9.157 -7.443 12.656 620 HG SER 75 HG SER 75 -7.935 -5.305 11.599 621 H LEU 76 H LEU 76 -6.198 -9.386 11.037 622 HA LEU 76 HA LEU 76 -7.977 -11.629 10.240 623 HB2 LEU 76 2HB LEU 76 -4.955 -11.566 9.783 624 HB3 LEU 76 3HB LEU 76 -6.120 -12.671 9.086 625 HG LEU 76 HG LEU 76 -5.362 -11.266 7.319 626 HD11 LEU 76 1HD1 LEU 76 -7.345 -10.094 6.550 627 HD12 LEU 76 2HD1 LEU 76 -8.043 -10.177 8.167 628 HD13 LEU 76 3HD1 LEU 76 -7.767 -11.659 7.248 629 HD21 LEU 76 3HD2 LEU 76 -4.320 -9.492 8.602 630 HD22 LEU 76 1HD2 LEU 76 -5.896 -8.882 9.103 631 HD23 LEU 76 2HD2 LEU 76 -5.411 -8.786 7.414 632 H GLU 77 H GLU 77 -5.141 -10.522 11.927 633 HA GLU 77 HA GLU 77 -4.277 -12.718 13.317 634 HB2 GLU 77 2HB GLU 77 -2.964 -11.140 14.672 635 HB3 GLU 77 3HB GLU 77 -2.913 -10.741 12.969 636 HG2 GLU 77 2HG GLU 77 -4.458 -9.267 15.123 637 HG3 GLU 77 3HG GLU 77 -2.992 -8.725 14.332 638 H HIS 78 H HIS 78 -5.915 -13.895 14.281 639 HA HIS 78 HA HIS 78 -7.444 -12.984 16.567 640 HB2 HIS 78 2HB HIS 78 -6.646 -15.843 15.779 641 HB3 HIS 78 3HB HIS 78 -7.826 -15.419 17.012 642 HD1 HIS 78 HD1 HIS 78 -7.560 -16.248 13.518 643 HD2 HIS 78 HD2 HIS 78 -10.174 -14.009 15.850 644 HE1 HIS 78 HE1 HIS 78 -9.674 -16.072 12.188 645 HE2 HIS 78 HE2 HIS 78 -11.209 -14.657 13.582 646 H HIS 79 H HIS 79 -4.488 -14.767 16.014 647 HA HIS 79 HA HIS 79 -3.552 -14.439 18.805 648 HB2 HIS 79 2HB HIS 79 -2.339 -16.104 16.538 649 HB3 HIS 79 3HB HIS 79 -1.890 -16.158 18.236 650 HD1 HIS 79 HD1 HIS 79 -3.120 -17.817 19.680 651 HD2 HIS 79 HD2 HIS 79 -4.947 -17.268 16.001 652 HE1 HIS 79 HE1 HIS 79 -4.877 -19.592 19.525 653 HE2 HIS 79 HE2 HIS 79 -5.791 -19.382 17.192 654 H HIS 80 H HIS 80 -1.564 -13.370 19.163 655 HA HIS 80 HA HIS 80 -0.618 -11.521 17.091 656 HB2 HIS 80 2HB HIS 80 0.152 -11.858 20.038 657 HB3 HIS 80 3HB HIS 80 0.825 -10.631 18.974 658 HD1 HIS 80 HD1 HIS 80 -1.978 -11.275 21.209 659 HD2 HIS 80 HD2 HIS 80 -1.145 -8.690 18.065 660 HE1 HIS 80 HE1 HIS 80 -3.696 -9.455 21.362 661 HE2 HIS 80 HE2 HIS 80 -3.277 -8.012 19.347 662 H HIS 81 H HIS 81 0.894 -12.231 15.699 663 HA HIS 81 HA HIS 81 2.210 -14.710 15.961 664 HB2 HIS 81 2HB HIS 81 3.393 -14.177 13.860 665 HB3 HIS 81 3HB HIS 81 1.681 -13.813 13.730 666 HD1 HIS 81 HD1 HIS 81 4.809 -12.477 12.770 667 HD2 HIS 81 HD2 HIS 81 1.302 -10.798 14.218 668 HE1 HIS 81 HE1 HIS 81 4.870 -10.078 12.080 669 HE2 HIS 81 HE2 HIS 81 2.750 -9.080 12.976 670 H HIS 82 H HIS 82 3.787 -15.163 17.265 671 HA HIS 82 HA HIS 82 5.485 -13.254 18.599 672 HB2 HIS 82 2HB HIS 82 6.338 -15.283 19.810 673 HB3 HIS 82 3HB HIS 82 4.585 -15.139 19.847 674 HD1 HIS 82 HD1 HIS 82 7.327 -17.387 18.689 675 HD2 HIS 82 HD2 HIS 82 3.198 -17.103 18.303 676 HE1 HIS 82 HE1 HIS 82 6.571 -19.603 17.780 677 HE2 HIS 82 HE2 HIS 82 4.059 -19.448 17.716 678 H HIS 83 H HIS 83 5.813 -13.898 15.601 679 HA HIS 83 HA HIS 83 8.624 -13.474 15.461 680 HB2 HIS 83 2HB HIS 83 8.725 -15.933 15.616 681 HB3 HIS 83 3HB HIS 83 7.482 -16.116 14.387 682 HD1 HIS 83 HD1 HIS 83 11.043 -14.832 14.718 683 HD2 HIS 83 HD2 HIS 83 8.480 -16.409 11.854 684 HE1 HIS 83 HE1 HIS 83 12.422 -15.090 12.641 685 HE2 HIS 83 HE2 HIS 83 10.897 -16.215 10.998 Start of MODEL 13 1 H1 MET 1 1H MET 1 -21.608 -2.798 1.712 2 H2 MET 1 2H MET 1 -21.842 -1.173 1.333 3 H3 MET 1 3H MET 1 -23.092 -2.063 2.045 4 HA MET 1 HA MET 1 -22.092 -0.631 3.650 5 HB2 MET 1 2HB MET 1 -22.939 -2.814 4.432 6 HB3 MET 1 3HB MET 1 -21.388 -3.567 4.076 7 HG2 MET 1 2HG MET 1 -21.682 -3.144 6.489 8 HG3 MET 1 3HG MET 1 -20.307 -2.251 5.832 9 HE1 MET 1 3HE MET 1 -21.579 0.258 8.552 10 HE2 MET 1 1HE MET 1 -20.173 -0.569 7.885 11 HE3 MET 1 2HE MET 1 -21.454 -1.498 8.666 12 H GLY 2 H GLY 2 -19.640 -3.156 2.930 13 HA2 GLY 2 2HA GLY 2 -17.500 -1.195 2.613 14 HA3 GLY 2 3HA GLY 2 -17.421 -2.177 4.074 15 H LEU 3 H LEU 3 -16.733 -2.079 0.752 16 HA LEU 3 HA LEU 3 -16.031 -4.958 0.653 17 HB2 LEU 3 2HB LEU 3 -18.135 -4.487 -0.616 18 HB3 LEU 3 3HB LEU 3 -17.299 -3.268 -1.556 19 HG LEU 3 HG LEU 3 -15.856 -5.074 -2.560 20 HD11 LEU 3 1HD1 LEU 3 -15.950 -6.741 -0.779 21 HD12 LEU 3 2HD1 LEU 3 -16.484 -7.434 -2.309 22 HD13 LEU 3 3HD1 LEU 3 -17.672 -6.997 -1.077 23 HD21 LEU 3 3HD2 LEU 3 -18.839 -5.489 -2.928 24 HD22 LEU 3 1HD2 LEU 3 -17.574 -6.005 -4.048 25 HD23 LEU 3 2HD2 LEU 3 -17.844 -4.288 -3.756 26 H THR 4 H THR 4 -14.273 -5.429 -0.834 27 HA THR 4 HA THR 4 -12.044 -3.741 -0.881 28 HB THR 4 HB THR 4 -12.622 -6.049 -2.808 29 HG1 THR 4 HG1 THR 4 -11.411 -6.277 -0.244 30 HG21 THR 4 3HG2 THR 4 -10.176 -6.500 -2.653 31 HG22 THR 4 1HG2 THR 4 -9.976 -5.072 -1.637 32 HG23 THR 4 2HG2 THR 4 -10.484 -4.895 -3.321 33 H ARG 5 H ARG 5 -10.907 -3.179 -3.075 34 HA ARG 5 HA ARG 5 -12.151 -2.359 -5.343 35 HB2 ARG 5 2HB ARG 5 -12.384 0.076 -5.123 36 HB3 ARG 5 3HB ARG 5 -13.471 -0.730 -4.003 37 HG2 ARG 5 2HG ARG 5 -12.287 -0.010 -2.117 38 HG3 ARG 5 3HG ARG 5 -10.785 0.214 -3.012 39 HD2 ARG 5 2HD ARG 5 -13.249 1.987 -3.200 40 HD3 ARG 5 3HD ARG 5 -11.735 2.380 -2.370 41 HE ARG 5 HE ARG 5 -11.664 1.772 -5.254 42 HH11 ARG 5 1HH1 ARG 5 -11.359 4.234 -2.762 43 HH12 ARG 5 2HH1 ARG 5 -10.607 5.378 -3.825 44 HH21 ARG 5 1HH2 ARG 5 -10.588 3.238 -6.597 45 HH22 ARG 5 2HH2 ARG 5 -10.173 4.809 -5.995 46 H THR 6 H THR 6 -10.664 -0.808 -6.571 47 HA THR 6 HA THR 6 -7.861 -1.268 -5.738 48 HB THR 6 HB THR 6 -8.889 -0.807 -8.572 49 HG1 THR 6 HG1 THR 6 -9.629 -2.778 -8.235 50 HG21 THR 6 3HG2 THR 6 -6.694 -1.688 -9.270 51 HG22 THR 6 1HG2 THR 6 -6.209 -1.859 -7.586 52 HG23 THR 6 2HG2 THR 6 -6.491 -0.250 -8.262 53 H ILE 7 H ILE 7 -6.714 0.540 -5.238 54 HA ILE 7 HA ILE 7 -7.613 3.186 -6.261 55 HB ILE 7 HB ILE 7 -5.752 2.670 -3.885 56 HG12 ILE 7 2HG1 ILE 7 -8.743 3.250 -3.829 57 HG13 ILE 7 3HG1 ILE 7 -7.971 1.756 -3.318 58 HG21 ILE 7 1HG2 ILE 7 -6.148 5.032 -3.326 59 HG22 ILE 7 2HG2 ILE 7 -7.209 5.205 -4.727 60 HG23 ILE 7 3HG2 ILE 7 -5.488 4.882 -4.956 61 HD11 ILE 7 3HD1 ILE 7 -6.872 2.974 -1.490 62 HD12 ILE 7 1HD1 ILE 7 -8.630 3.074 -1.416 63 HD13 ILE 7 2HD1 ILE 7 -7.697 4.455 -1.991 64 H THR 8 H THR 8 -6.474 3.428 -8.161 65 HA THR 8 HA THR 8 -3.605 2.710 -8.290 66 HB THR 8 HB THR 8 -3.877 3.110 -10.778 67 HG1 THR 8 HG1 THR 8 -5.646 4.447 -10.884 68 HG21 THR 8 3HG2 THR 8 -5.799 1.061 -9.617 69 HG22 THR 8 1HG2 THR 8 -4.070 0.817 -9.886 70 HG23 THR 8 2HG2 THR 8 -5.152 1.053 -11.258 71 H SER 9 H SER 9 -2.350 4.343 -7.580 72 HA SER 9 HA SER 9 -2.734 7.059 -8.667 73 HB2 SER 9 2HB SER 9 -3.672 7.062 -6.345 74 HB3 SER 9 3HB SER 9 -2.135 6.455 -5.726 75 HG SER 9 HG SER 9 -2.851 8.975 -6.218 76 H GLN 10 H GLN 10 -0.830 8.176 -8.995 77 HA GLN 10 HA GLN 10 1.699 6.704 -8.866 78 HB2 GLN 10 2HB GLN 10 1.285 9.527 -9.950 79 HB3 GLN 10 3HB GLN 10 2.627 8.429 -10.260 80 HG2 GLN 10 2HG GLN 10 0.834 6.899 -11.369 81 HG3 GLN 10 3HG GLN 10 -0.180 8.342 -11.374 82 HE21 GLN 10 1HE2 GLN 10 2.598 6.790 -12.728 83 HE22 GLN 10 2HE2 GLN 10 2.889 7.929 -13.996 84 H ASN 11 H ASN 11 -0.002 8.346 -6.655 85 HA ASN 11 HA ASN 11 2.409 9.412 -5.264 86 HB2 ASN 11 2HB ASN 11 0.707 11.155 -5.646 87 HB3 ASN 11 3HB ASN 11 -0.539 10.142 -4.916 88 HD21 ASN 11 1HD2 ASN 11 -1.020 11.747 -3.375 89 HD22 ASN 11 2HD2 ASN 11 0.021 12.098 -2.040 90 H LYS 12 H LYS 12 3.153 7.995 -3.776 91 HA LYS 12 HA LYS 12 1.529 5.804 -2.842 92 HB2 LYS 12 2HB LYS 12 3.530 4.893 -1.853 93 HB3 LYS 12 3HB LYS 12 3.873 5.450 -3.472 94 HG2 LYS 12 2HG LYS 12 5.787 6.116 -2.378 95 HG3 LYS 12 3HG LYS 12 4.826 7.590 -2.241 96 HD2 LYS 12 2HD LYS 12 4.339 7.190 0.057 97 HD3 LYS 12 3HD LYS 12 4.798 5.490 -0.054 98 HE2 LYS 12 2HE LYS 12 6.466 6.820 1.181 99 HE3 LYS 12 3HE LYS 12 7.135 6.087 -0.272 100 HZ1 LYS 12 3HZ LYS 12 6.965 8.224 -1.388 101 HZ2 LYS 12 1HZ LYS 12 7.902 8.348 0.014 102 HZ3 LYS 12 2HZ LYS 12 6.313 8.929 0.003 103 H GLU 13 H GLU 13 2.286 8.933 -1.601 104 HA GLU 13 HA GLU 13 2.094 8.542 1.175 105 HB2 GLU 13 2HB GLU 13 1.287 10.922 -0.549 106 HB3 GLU 13 3HB GLU 13 1.380 10.975 1.210 107 HG2 GLU 13 2HG GLU 13 3.700 10.437 -0.667 108 HG3 GLU 13 3HG GLU 13 3.349 11.976 0.119 109 H GLU 14 H GLU 14 -0.455 9.592 -1.123 110 HA GLU 14 HA GLU 14 -2.596 9.537 0.702 111 HB2 GLU 14 2HB GLU 14 -4.053 9.740 -1.253 112 HB3 GLU 14 3HB GLU 14 -2.664 10.814 -1.387 113 HG2 GLU 14 2HG GLU 14 -1.579 9.244 -2.946 114 HG3 GLU 14 3HG GLU 14 -2.954 8.145 -2.807 115 H LEU 15 H LEU 15 -1.118 7.015 -1.208 116 HA LEU 15 HA LEU 15 -3.201 5.087 -1.037 117 HB2 LEU 15 2HB LEU 15 -0.202 4.712 -1.401 118 HB3 LEU 15 3HB LEU 15 -1.386 3.420 -1.561 119 HG LEU 15 HG LEU 15 -1.224 5.894 -3.337 120 HD11 LEU 15 1HD1 LEU 15 0.609 4.336 -3.777 121 HD12 LEU 15 2HD1 LEU 15 -0.536 4.364 -5.118 122 HD13 LEU 15 3HD1 LEU 15 -0.543 3.013 -3.977 123 HD21 LEU 15 3HD2 LEU 15 -2.953 4.808 -4.714 124 HD22 LEU 15 1HD2 LEU 15 -3.543 5.160 -3.090 125 HD23 LEU 15 2HD2 LEU 15 -3.092 3.511 -3.525 126 H LEU 16 H LEU 16 -0.519 5.989 1.101 127 HA LEU 16 HA LEU 16 -0.740 3.789 2.941 128 HB2 LEU 16 2HB LEU 16 0.451 6.568 3.328 129 HB3 LEU 16 3HB LEU 16 0.658 5.231 4.449 130 HG LEU 16 HG LEU 16 1.658 5.195 1.577 131 HD11 LEU 16 1HD1 LEU 16 3.222 5.796 4.103 132 HD12 LEU 16 2HD1 LEU 16 2.823 6.941 2.819 133 HD13 LEU 16 3HD1 LEU 16 3.900 5.588 2.484 134 HD21 LEU 16 3HD2 LEU 16 1.256 2.959 2.498 135 HD22 LEU 16 1HD2 LEU 16 2.255 3.335 3.905 136 HD23 LEU 16 2HD2 LEU 16 2.979 3.252 2.296 137 H GLU 17 H GLU 17 -1.876 7.138 2.902 138 HA GLU 17 HA GLU 17 -3.042 7.228 5.472 139 HB2 GLU 17 2HB GLU 17 -3.631 8.938 3.022 140 HB3 GLU 17 3HB GLU 17 -4.055 9.347 4.686 141 HG2 GLU 17 2HG GLU 17 -1.656 9.421 5.281 142 HG3 GLU 17 3HG GLU 17 -1.235 9.019 3.613 143 H ILE 18 H ILE 18 -4.580 6.884 2.261 144 HA ILE 18 HA ILE 18 -7.245 6.645 3.286 145 HB ILE 18 HB ILE 18 -6.157 6.020 0.501 146 HG12 ILE 18 2HG1 ILE 18 -7.620 8.500 1.532 147 HG13 ILE 18 3HG1 ILE 18 -5.886 8.408 1.246 148 HG21 ILE 18 1HG2 ILE 18 -8.507 6.149 -0.288 149 HG22 ILE 18 2HG2 ILE 18 -9.055 6.345 1.376 150 HG23 ILE 18 3HG2 ILE 18 -8.297 4.833 0.873 151 HD11 ILE 18 3HD1 ILE 18 -7.015 9.562 -0.549 152 HD12 ILE 18 1HD1 ILE 18 -8.039 8.158 -0.851 153 HD13 ILE 18 2HD1 ILE 18 -6.298 8.062 -1.132 154 H ALA 19 H ALA 19 -4.683 4.298 2.423 155 HA ALA 19 HA ALA 19 -6.268 1.963 2.671 156 HB1 ALA 19 3HB ALA 19 -4.005 1.928 1.715 157 HB2 ALA 19 1HB ALA 19 -4.202 0.739 3.001 158 HB3 ALA 19 2HB ALA 19 -3.324 2.242 3.313 159 H LEU 20 H LEU 20 -4.373 3.756 5.087 160 HA LEU 20 HA LEU 20 -4.768 2.161 7.336 161 HB2 LEU 20 2HB LEU 20 -3.145 4.009 7.207 162 HB3 LEU 20 3HB LEU 20 -4.451 5.178 7.143 163 HG LEU 20 HG LEU 20 -5.088 4.629 9.479 164 HD11 LEU 20 1HD1 LEU 20 -4.449 2.276 9.576 165 HD12 LEU 20 2HD1 LEU 20 -3.688 3.176 10.886 166 HD13 LEU 20 3HD1 LEU 20 -2.741 2.709 9.472 167 HD21 LEU 20 3HD2 LEU 20 -2.139 5.294 9.199 168 HD22 LEU 20 1HD2 LEU 20 -3.141 5.596 10.622 169 HD23 LEU 20 2HD2 LEU 20 -3.479 6.442 9.113 170 H LYS 21 H LYS 21 -6.891 4.542 5.867 171 HA LYS 21 HA LYS 21 -8.927 4.764 7.799 172 HB2 LYS 21 2HB LYS 21 -8.695 6.246 5.823 173 HB3 LYS 21 3HB LYS 21 -9.105 4.901 4.764 174 HG2 LYS 21 2HG LYS 21 -11.372 4.811 5.828 175 HG3 LYS 21 3HG LYS 21 -10.948 6.239 6.776 176 HD2 LYS 21 2HD LYS 21 -11.053 6.099 3.742 177 HD3 LYS 21 3HD LYS 21 -12.303 6.793 4.769 178 HE2 LYS 21 2HE LYS 21 -9.450 7.823 4.585 179 HE3 LYS 21 3HE LYS 21 -10.824 8.500 3.713 180 HZ1 LYS 21 3HZ LYS 21 -10.324 9.752 5.713 181 HZ2 LYS 21 1HZ LYS 21 -10.552 8.375 6.667 182 HZ3 LYS 21 2HZ LYS 21 -11.855 9.045 5.826 183 H PHE 22 H PHE 22 -8.526 2.460 5.088 184 HA PHE 22 HA PHE 22 -11.021 1.063 5.556 185 HB2 PHE 22 2HB PHE 22 -8.638 0.475 3.764 186 HB3 PHE 22 3HB PHE 22 -9.935 -0.700 3.959 187 HD1 PHE 22 HD1 PHE 22 -9.288 2.835 2.882 188 HD2 PHE 22 HD2 PHE 22 -11.925 -0.528 2.648 189 HE1 PHE 22 HE1 PHE 22 -10.558 3.954 1.097 190 HE2 PHE 22 HE2 PHE 22 -13.189 0.604 0.862 191 HZ PHE 22 HZ PHE 22 -12.506 2.839 0.082 192 H ILE 23 H ILE 23 -7.701 0.700 6.610 193 HA ILE 23 HA ILE 23 -7.907 -1.946 7.686 194 HB ILE 23 HB ILE 23 -5.919 0.298 8.264 195 HG12 ILE 23 2HG1 ILE 23 -5.814 -0.493 5.926 196 HG13 ILE 23 3HG1 ILE 23 -4.367 -0.985 6.795 197 HG21 ILE 23 1HG2 ILE 23 -5.747 -2.621 9.093 198 HG22 ILE 23 2HG2 ILE 23 -5.944 -1.237 10.171 199 HG23 ILE 23 3HG2 ILE 23 -4.447 -1.437 9.259 200 HD11 ILE 23 3HD1 ILE 23 -5.190 -2.720 5.311 201 HD12 ILE 23 1HD1 ILE 23 -6.725 -2.768 6.169 202 HD13 ILE 23 2HD1 ILE 23 -5.234 -3.255 6.986 203 H SER 24 H SER 24 -8.231 1.343 8.999 204 HA SER 24 HA SER 24 -8.715 0.688 11.704 205 HB2 SER 24 2HB SER 24 -8.129 2.982 10.837 206 HB3 SER 24 3HB SER 24 -9.758 3.120 10.172 207 HG SER 24 HG SER 24 -10.486 2.728 12.406 208 H GLN 25 H GLN 25 -10.753 0.585 8.883 209 HA GLN 25 HA GLN 25 -13.238 0.223 10.377 210 HB2 GLN 25 2HB GLN 25 -12.655 0.174 7.388 211 HB3 GLN 25 3HB GLN 25 -14.263 0.037 8.094 212 HG2 GLN 25 2HG GLN 25 -14.078 2.290 9.036 213 HG3 GLN 25 3HG GLN 25 -12.431 2.433 8.421 214 HE21 GLN 25 1HE2 GLN 25 -12.895 4.241 7.175 215 HE22 GLN 25 2HE2 GLN 25 -13.875 4.173 5.750 216 H GLY 26 H GLY 26 -10.682 -1.771 9.338 217 HA2 GLY 26 2HA GLY 26 -10.378 -4.049 9.678 218 HA3 GLY 26 3HA GLY 26 -12.076 -4.216 10.097 219 H LEU 27 H LEU 27 -11.365 -2.604 7.173 220 HA LEU 27 HA LEU 27 -12.643 -4.715 5.607 221 HB2 LEU 27 2HB LEU 27 -11.905 -1.853 4.888 222 HB3 LEU 27 3HB LEU 27 -12.733 -2.969 3.806 223 HG LEU 27 HG LEU 27 -13.827 -1.920 6.445 224 HD11 LEU 27 1HD1 LEU 27 -13.780 -0.206 4.712 225 HD12 LEU 27 2HD1 LEU 27 -15.435 -0.707 5.057 226 HD13 LEU 27 3HD1 LEU 27 -14.628 -1.283 3.595 227 HD21 LEU 27 3HD2 LEU 27 -15.940 -3.031 5.800 228 HD22 LEU 27 1HD2 LEU 27 -14.639 -4.197 6.037 229 HD23 LEU 27 2HD2 LEU 27 -15.138 -3.754 4.403 230 H ASP 28 H ASP 28 -11.816 -5.537 3.710 231 HA ASP 28 HA ASP 28 -8.939 -5.543 3.286 232 HB2 ASP 28 2HB ASP 28 -10.287 -7.631 3.025 233 HB3 ASP 28 3HB ASP 28 -11.193 -6.875 1.721 234 H LEU 29 H LEU 29 -7.907 -4.467 1.667 235 HA LEU 29 HA LEU 29 -9.367 -2.925 -0.366 236 HB2 LEU 29 2HB LEU 29 -9.101 -1.355 1.526 237 HB3 LEU 29 3HB LEU 29 -7.391 -1.744 1.641 238 HG LEU 29 HG LEU 29 -7.108 -0.787 -0.717 239 HD11 LEU 29 1HD1 LEU 29 -9.898 0.285 -0.269 240 HD12 LEU 29 2HD1 LEU 29 -9.421 -0.924 -1.467 241 HD13 LEU 29 3HD1 LEU 29 -8.805 0.722 -1.586 242 HD21 LEU 29 3HD2 LEU 29 -6.432 0.479 1.249 243 HD22 LEU 29 1HD2 LEU 29 -8.057 1.155 1.389 244 HD23 LEU 29 2HD2 LEU 29 -7.057 1.532 -0.017 245 H GLU 30 H GLU 30 -8.106 -2.618 -2.241 246 HA GLU 30 HA GLU 30 -5.288 -3.547 -2.121 247 HB2 GLU 30 2HB GLU 30 -6.727 -5.194 -3.268 248 HB3 GLU 30 3HB GLU 30 -7.279 -3.948 -4.388 249 HG2 GLU 30 2HG GLU 30 -5.103 -3.755 -5.387 250 HG3 GLU 30 3HG GLU 30 -4.362 -4.730 -4.117 251 H VAL 31 H VAL 31 -4.000 -1.881 -2.411 252 HA VAL 31 HA VAL 31 -4.728 0.358 -4.214 253 HB VAL 31 HB VAL 31 -2.717 1.533 -3.240 254 HG11 VAL 31 1HG1 VAL 31 -4.929 2.015 -2.318 255 HG12 VAL 31 2HG1 VAL 31 -3.711 2.070 -1.040 256 HG13 VAL 31 3HG1 VAL 31 -4.779 0.668 -1.180 257 HG21 VAL 31 3HG2 VAL 31 -2.584 -0.803 -1.290 258 HG22 VAL 31 1HG2 VAL 31 -1.638 0.684 -1.187 259 HG23 VAL 31 2HG2 VAL 31 -1.390 -0.428 -2.534 260 H GLU 32 H GLU 32 -3.016 1.124 -5.638 261 HA GLU 32 HA GLU 32 -0.847 -0.681 -6.344 262 HB2 GLU 32 2HB GLU 32 -2.680 -1.358 -7.890 263 HB3 GLU 32 3HB GLU 32 -2.863 0.316 -8.417 264 HG2 GLU 32 2HG GLU 32 -0.491 0.254 -9.279 265 HG3 GLU 32 3HG GLU 32 -0.417 -1.452 -8.843 266 H PHE 33 H PHE 33 0.881 0.552 -6.354 267 HA PHE 33 HA PHE 33 0.795 3.407 -6.856 268 HB2 PHE 33 2HB PHE 33 2.170 2.439 -4.999 269 HB3 PHE 33 3HB PHE 33 3.134 1.567 -6.190 270 HD1 PHE 33 HD1 PHE 33 1.879 5.095 -5.830 271 HD2 PHE 33 HD2 PHE 33 5.242 2.531 -6.465 272 HE1 PHE 33 HE1 PHE 33 3.347 7.049 -6.019 273 HE2 PHE 33 HE2 PHE 33 6.688 4.499 -6.657 274 HZ PHE 33 HZ PHE 33 5.741 6.759 -6.436 275 H ASP 34 H ASP 34 0.513 3.806 -8.974 276 HA ASP 34 HA ASP 34 1.741 2.213 -11.076 277 HB2 ASP 34 2HB ASP 34 -0.608 3.074 -11.311 278 HB3 ASP 34 3HB ASP 34 0.007 4.723 -11.284 279 H SER 35 H SER 35 3.954 2.644 -10.588 280 HA SER 35 HA SER 35 4.973 4.909 -12.069 281 HB2 SER 35 2HB SER 35 4.755 5.913 -9.805 282 HB3 SER 35 3HB SER 35 5.727 4.613 -9.122 283 HG SER 35 HG SER 35 6.533 6.891 -10.271 284 H THR 36 H THR 36 7.239 4.760 -12.435 285 HA THR 36 HA THR 36 8.290 1.998 -12.433 286 HB THR 36 HB THR 36 9.739 2.835 -14.327 287 HG1 THR 36 HG1 THR 36 9.870 4.948 -14.411 288 HG21 THR 36 3HG2 THR 36 7.616 1.699 -14.869 289 HG22 THR 36 1HG2 THR 36 7.960 2.979 -16.039 290 HG23 THR 36 2HG2 THR 36 6.755 3.235 -14.775 291 H ASP 37 H ASP 37 8.515 4.661 -10.540 292 HA ASP 37 HA ASP 37 11.397 5.115 -10.591 293 HB2 ASP 37 2HB ASP 37 9.705 6.992 -10.369 294 HB3 ASP 37 3HB ASP 37 9.252 6.341 -8.795 295 H ASP 38 H ASP 38 12.512 3.540 -9.658 296 HA ASP 38 HA ASP 38 11.820 1.600 -7.854 297 HB2 ASP 38 2HB ASP 38 14.567 2.887 -8.202 298 HB3 ASP 38 3HB ASP 38 14.285 1.392 -7.316 299 H LYS 39 H LYS 39 13.120 4.842 -7.072 300 HA LYS 39 HA LYS 39 13.661 4.480 -4.339 301 HB2 LYS 39 2HB LYS 39 12.769 7.058 -5.707 302 HB3 LYS 39 3HB LYS 39 13.605 6.942 -4.160 303 HG2 LYS 39 2HG LYS 39 15.614 6.104 -5.258 304 HG3 LYS 39 3HG LYS 39 14.794 6.072 -6.819 305 HD2 LYS 39 2HD LYS 39 15.237 8.615 -5.203 306 HD3 LYS 39 3HD LYS 39 16.367 8.042 -6.426 307 HE2 LYS 39 2HE LYS 39 15.019 9.727 -7.464 308 HE3 LYS 39 3HE LYS 39 14.461 8.185 -8.107 309 HZ1 LYS 39 3HZ LYS 39 12.575 8.274 -6.631 310 HZ2 LYS 39 1HZ LYS 39 12.644 9.692 -7.540 311 HZ3 LYS 39 2HZ LYS 39 13.132 9.698 -5.924 312 H GLU 40 H GLU 40 10.777 5.885 -5.911 313 HA GLU 40 HA GLU 40 9.276 6.330 -3.550 314 HB2 GLU 40 2HB GLU 40 8.380 6.047 -6.441 315 HB3 GLU 40 3HB GLU 40 7.369 6.657 -5.135 316 HG2 GLU 40 2HG GLU 40 9.915 7.936 -6.145 317 HG3 GLU 40 3HG GLU 40 8.279 8.449 -6.549 318 H ILE 41 H ILE 41 9.511 3.551 -5.741 319 HA ILE 41 HA ILE 41 7.192 2.131 -4.825 320 HB ILE 41 HB ILE 41 9.643 1.226 -6.405 321 HG12 ILE 41 2HG1 ILE 41 6.782 1.760 -7.328 322 HG13 ILE 41 3HG1 ILE 41 8.131 2.867 -7.553 323 HG21 ILE 41 1HG2 ILE 41 8.383 -0.838 -6.975 324 HG22 ILE 41 2HG2 ILE 41 7.111 -0.362 -5.850 325 HG23 ILE 41 3HG2 ILE 41 8.726 -0.737 -5.246 326 HD11 ILE 41 3HD1 ILE 41 7.657 1.674 -9.587 327 HD12 ILE 41 1HD1 ILE 41 7.852 0.124 -8.772 328 HD13 ILE 41 2HD1 ILE 41 9.237 1.200 -8.972 329 H GLU 42 H GLU 42 10.664 1.988 -4.047 330 HA GLU 42 HA GLU 42 10.575 -0.224 -2.246 331 HB2 GLU 42 2HB GLU 42 12.568 2.051 -2.578 332 HB3 GLU 42 3HB GLU 42 12.819 0.707 -1.462 333 HG2 GLU 42 2HG GLU 42 12.943 -0.877 -3.245 334 HG3 GLU 42 3HG GLU 42 12.373 0.303 -4.426 335 H GLU 43 H GLU 43 10.300 3.276 -1.852 336 HA GLU 43 HA GLU 43 10.002 3.358 0.960 337 HB2 GLU 43 2HB GLU 43 8.973 5.223 -1.202 338 HB3 GLU 43 3HB GLU 43 8.907 5.578 0.524 339 HG2 GLU 43 2HG GLU 43 11.347 5.516 0.654 340 HG3 GLU 43 3HG GLU 43 11.446 5.117 -1.062 341 H PHE 44 H PHE 44 7.674 2.935 -1.699 342 HA PHE 44 HA PHE 44 5.278 3.016 -0.199 343 HB2 PHE 44 2HB PHE 44 5.270 3.289 -2.624 344 HB3 PHE 44 3HB PHE 44 5.978 1.699 -2.859 345 HD1 PHE 44 HD1 PHE 44 2.917 3.227 -1.250 346 HD2 PHE 44 HD2 PHE 44 4.527 0.023 -3.583 347 HE1 PHE 44 HE1 PHE 44 0.658 2.310 -1.576 348 HE2 PHE 44 HE2 PHE 44 2.270 -0.884 -3.894 349 HZ PHE 44 HZ PHE 44 0.336 0.258 -2.900 350 H GLU 45 H GLU 45 7.506 0.389 -1.079 351 HA GLU 45 HA GLU 45 6.133 -1.811 0.006 352 HB2 GLU 45 2HB GLU 45 9.095 -1.309 -0.479 353 HB3 GLU 45 3HB GLU 45 8.485 -2.853 0.124 354 HG2 GLU 45 2HG GLU 45 7.116 -3.106 -1.891 355 HG3 GLU 45 3HG GLU 45 7.704 -1.555 -2.489 356 H ARG 46 H ARG 46 8.860 0.049 1.435 357 HA ARG 46 HA ARG 46 8.941 -1.435 3.814 358 HB2 ARG 46 2HB ARG 46 10.519 0.215 4.645 359 HB3 ARG 46 3HB ARG 46 10.845 -0.122 2.954 360 HG2 ARG 46 2HG ARG 46 9.584 2.035 2.417 361 HG3 ARG 46 3HG ARG 46 9.622 2.383 4.145 362 HD2 ARG 46 2HD ARG 46 12.019 2.034 2.302 363 HD3 ARG 46 3HD ARG 46 11.450 3.545 3.009 364 HE ARG 46 HE ARG 46 12.076 1.723 5.079 365 HH11 ARG 46 1HH1 ARG 46 13.745 3.715 2.673 366 HH12 ARG 46 2HH1 ARG 46 15.186 3.843 3.630 367 HH21 ARG 46 1HH2 ARG 46 13.985 1.917 6.286 368 HH22 ARG 46 2HH2 ARG 46 15.324 2.836 5.662 369 H ASP 47 H ASP 47 7.353 1.669 3.110 370 HA ASP 47 HA ASP 47 6.285 2.164 5.656 371 HB2 ASP 47 2HB ASP 47 5.579 3.113 2.877 372 HB3 ASP 47 3HB ASP 47 4.503 3.513 4.211 373 H MET 48 H MET 48 4.818 0.364 2.884 374 HA MET 48 HA MET 48 2.344 -0.187 4.191 375 HB2 MET 48 2HB MET 48 3.721 -1.585 1.873 376 HB3 MET 48 3HB MET 48 2.188 -2.173 2.518 377 HG2 MET 48 2HG MET 48 2.723 0.520 1.259 378 HG3 MET 48 3HG MET 48 1.720 -0.784 0.614 379 HE1 MET 48 3HE MET 48 0.442 2.124 0.699 380 HE2 MET 48 1HE MET 48 -1.124 1.754 1.418 381 HE3 MET 48 2HE MET 48 -0.419 0.661 0.224 382 H GLU 49 H GLU 49 5.411 -1.939 4.158 383 HA GLU 49 HA GLU 49 4.601 -4.290 5.515 384 HB2 GLU 49 2HB GLU 49 7.335 -2.962 5.343 385 HB3 GLU 49 3HB GLU 49 7.059 -4.574 6.011 386 HG2 GLU 49 2HG GLU 49 6.290 -5.394 3.875 387 HG3 GLU 49 3HG GLU 49 6.358 -3.777 3.175 388 H ASP 50 H ASP 50 6.145 -1.305 6.733 389 HA ASP 50 HA ASP 50 6.166 -2.052 9.478 390 HB2 ASP 50 2HB ASP 50 6.475 0.633 8.082 391 HB3 ASP 50 3HB ASP 50 6.509 0.499 9.839 392 H LEU 51 H LEU 51 3.884 -0.220 7.482 393 HA LEU 51 HA LEU 51 2.061 0.607 9.456 394 HB2 LEU 51 2HB LEU 51 2.054 1.421 7.103 395 HB3 LEU 51 3HB LEU 51 1.505 -0.153 6.556 396 HG LEU 51 HG LEU 51 -0.659 0.186 7.780 397 HD11 LEU 51 1HD1 LEU 51 -1.223 2.413 8.685 398 HD12 LEU 51 2HD1 LEU 51 0.441 2.940 8.428 399 HD13 LEU 51 3HD1 LEU 51 0.090 1.650 9.581 400 HD21 LEU 51 3HD2 LEU 51 -0.505 0.809 5.408 401 HD22 LEU 51 1HD2 LEU 51 0.029 2.431 5.855 402 HD23 LEU 51 2HD2 LEU 51 -1.599 1.889 6.273 403 H ALA 52 H ALA 52 2.274 -2.391 7.575 404 HA ALA 52 HA ALA 52 -0.062 -3.675 8.510 405 HB1 ALA 52 3HB ALA 52 0.935 -5.723 7.603 406 HB2 ALA 52 1HB ALA 52 2.503 -4.911 7.470 407 HB3 ALA 52 2HB ALA 52 1.140 -4.372 6.488 408 H LYS 53 H LYS 53 3.277 -3.688 9.692 409 HA LYS 53 HA LYS 53 3.026 -5.580 11.767 410 HB2 LYS 53 2HB LYS 53 4.882 -3.181 11.488 411 HB3 LYS 53 3HB LYS 53 5.069 -4.425 12.722 412 HG2 LYS 53 2HG LYS 53 5.564 -6.114 11.079 413 HG3 LYS 53 3HG LYS 53 5.078 -5.056 9.754 414 HD2 LYS 53 2HD LYS 53 7.521 -5.226 9.856 415 HD3 LYS 53 3HD LYS 53 7.000 -3.577 10.210 416 HE2 LYS 53 2HE LYS 53 8.812 -4.261 11.712 417 HE3 LYS 53 3HE LYS 53 7.328 -3.997 12.626 418 HZ1 LYS 53 3HZ LYS 53 6.983 -6.359 12.733 419 HZ2 LYS 53 1HZ LYS 53 8.538 -6.006 13.296 420 HZ3 LYS 53 2HZ LYS 53 8.326 -6.653 11.752 421 H LYS 54 H LYS 54 2.747 -2.015 11.838 422 HA LYS 54 HA LYS 54 2.238 -1.623 14.567 423 HB2 LYS 54 2HB LYS 54 1.365 0.011 12.150 424 HB3 LYS 54 3HB LYS 54 1.207 0.570 13.814 425 HG2 LYS 54 2HG LYS 54 3.625 0.560 14.102 426 HG3 LYS 54 3HG LYS 54 3.844 -0.137 12.492 427 HD2 LYS 54 2HD LYS 54 4.269 2.305 12.476 428 HD3 LYS 54 3HD LYS 54 2.895 1.876 11.454 429 HE2 LYS 54 2HE LYS 54 1.344 2.588 13.263 430 HE3 LYS 54 3HE LYS 54 2.726 3.035 14.263 431 HZ1 LYS 54 3HZ LYS 54 1.971 4.247 11.663 432 HZ2 LYS 54 1HZ LYS 54 3.347 4.652 12.556 433 HZ3 LYS 54 2HZ LYS 54 1.811 4.959 13.187 434 H THR 55 H THR 55 0.012 -2.212 11.885 435 HA THR 55 HA THR 55 -2.358 -1.945 13.566 436 HB THR 55 HB THR 55 -3.605 -2.302 11.434 437 HG1 THR 55 HG1 THR 55 -1.446 -2.064 9.773 438 HG21 THR 55 3HG2 THR 55 -2.922 -0.212 10.310 439 HG22 THR 55 1HG2 THR 55 -1.387 -0.229 11.193 440 HG23 THR 55 2HG2 THR 55 -2.905 -0.000 12.061 441 H GLY 56 H GLY 56 -0.200 -4.452 12.710 442 HA2 GLY 56 2HA GLY 56 -0.207 -6.690 13.129 443 HA3 GLY 56 3HA GLY 56 -1.718 -6.494 14.007 444 H VAL 57 H VAL 57 -1.401 -5.523 10.636 445 HA VAL 57 HA VAL 57 -3.152 -7.760 9.788 446 HB VAL 57 HB VAL 57 -3.921 -6.440 7.965 447 HG11 VAL 57 1HG1 VAL 57 -4.892 -4.453 9.049 448 HG12 VAL 57 2HG1 VAL 57 -3.748 -4.614 10.385 449 HG13 VAL 57 3HG1 VAL 57 -4.959 -5.869 10.101 450 HG21 VAL 57 3HG2 VAL 57 -1.796 -4.348 8.574 451 HG22 VAL 57 1HG2 VAL 57 -3.084 -4.175 7.375 452 HG23 VAL 57 2HG2 VAL 57 -1.846 -5.415 7.169 453 H GLN 58 H GLN 58 -2.779 -8.487 7.471 454 HA GLN 58 HA GLN 58 0.087 -9.006 7.011 455 HB2 GLN 58 2HB GLN 58 -2.368 -10.330 5.771 456 HB3 GLN 58 3HB GLN 58 -0.695 -10.813 5.495 457 HG2 GLN 58 2HG GLN 58 -2.036 -10.886 8.209 458 HG3 GLN 58 3HG GLN 58 -2.016 -12.245 7.097 459 HE21 GLN 58 1HE2 GLN 58 -0.994 -13.515 8.613 460 HE22 GLN 58 2HE2 GLN 58 0.677 -13.339 9.020 461 H ILE 59 H ILE 59 0.734 -9.147 4.667 462 HA ILE 59 HA ILE 59 -0.555 -7.129 2.914 463 HB ILE 59 HB ILE 59 1.715 -6.498 2.036 464 HG12 ILE 59 2HG1 ILE 59 2.805 -8.084 4.412 465 HG13 ILE 59 3HG1 ILE 59 2.955 -8.554 2.723 466 HG21 ILE 59 1HG2 ILE 59 1.416 -5.959 5.004 467 HG22 ILE 59 2HG2 ILE 59 0.617 -5.069 3.712 468 HG23 ILE 59 3HG2 ILE 59 2.371 -5.011 3.863 469 HD11 ILE 59 3HD1 ILE 59 5.015 -7.606 3.523 470 HD12 ILE 59 1HD1 ILE 59 4.192 -6.123 4.011 471 HD13 ILE 59 2HD1 ILE 59 4.308 -6.549 2.299 472 H GLN 60 H GLN 60 -0.164 -7.484 0.624 473 HA GLN 60 HA GLN 60 1.299 -9.884 -0.183 474 HB2 GLN 60 2HB GLN 60 -1.111 -10.571 -0.027 475 HB3 GLN 60 3HB GLN 60 -1.532 -9.294 -1.162 476 HG2 GLN 60 2HG GLN 60 -1.435 -11.478 -2.287 477 HG3 GLN 60 3HG GLN 60 -0.203 -10.388 -2.922 478 HE21 GLN 60 1HE2 GLN 60 -0.763 -13.222 -0.919 479 HE22 GLN 60 2HE2 GLN 60 0.865 -13.796 -0.933 480 H LYS 61 H LYS 61 2.775 -9.135 -1.607 481 HA LYS 61 HA LYS 61 2.254 -6.662 -3.110 482 HB2 LYS 61 2HB LYS 61 4.813 -8.294 -2.779 483 HB3 LYS 61 3HB LYS 61 4.689 -6.791 -3.692 484 HG2 LYS 61 2HG LYS 61 4.115 -5.563 -1.641 485 HG3 LYS 61 3HG LYS 61 4.176 -7.060 -0.705 486 HD2 LYS 61 2HD LYS 61 6.592 -7.274 -1.208 487 HD3 LYS 61 3HD LYS 61 6.536 -5.802 -2.180 488 HE2 LYS 61 2HE LYS 61 6.019 -4.475 -0.189 489 HE3 LYS 61 3HE LYS 61 5.938 -5.938 0.797 490 HZ1 LYS 61 3HZ LYS 61 8.255 -6.323 0.428 491 HZ2 LYS 61 1HZ LYS 61 8.062 -4.741 1.000 492 HZ3 LYS 61 2HZ LYS 61 8.368 -5.017 -0.640 493 H GLN 62 H GLN 62 1.194 -7.033 -4.918 494 HA GLN 62 HA GLN 62 1.888 -9.196 -6.775 495 HB2 GLN 62 2HB GLN 62 -0.505 -8.960 -6.243 496 HB3 GLN 62 3HB GLN 62 -0.467 -7.252 -6.653 497 HG2 GLN 62 2HG GLN 62 -1.580 -8.607 -8.392 498 HG3 GLN 62 3HG GLN 62 -0.156 -7.781 -9.019 499 HE21 GLN 62 1HE2 GLN 62 1.601 -8.999 -9.693 500 HE22 GLN 62 2HE2 GLN 62 1.537 -10.714 -9.875 501 H TRP 63 H TRP 63 3.805 -8.411 -7.710 502 HA TRP 63 HA TRP 63 3.994 -5.804 -8.911 503 HB2 TRP 63 2HB TRP 63 5.643 -8.339 -9.351 504 HB3 TRP 63 3HB TRP 63 6.037 -6.755 -10.021 505 HD1 TRP 63 HD1 TRP 63 5.942 -8.613 -6.613 506 HE1 TRP 63 HE1 TRP 63 7.425 -7.330 -4.952 507 HE3 TRP 63 HE3 TRP 63 7.038 -4.488 -9.484 508 HZ2 TRP 63 HZ2 TRP 63 8.877 -4.921 -4.850 509 HZ3 TRP 63 HZ3 TRP 63 8.494 -2.749 -8.511 510 HH2 TRP 63 HH2 TRP 63 9.389 -2.961 -6.243 511 H GLN 64 H GLN 64 2.699 -5.277 -10.622 512 HA GLN 64 HA GLN 64 1.484 -7.427 -12.228 513 HB2 GLN 64 2HB GLN 64 -0.045 -6.016 -10.823 514 HB3 GLN 64 3HB GLN 64 0.552 -4.572 -11.630 515 HG2 GLN 64 2HG GLN 64 -1.615 -5.161 -12.532 516 HG3 GLN 64 3HG GLN 64 -0.387 -5.403 -13.776 517 HE21 GLN 64 1HE2 GLN 64 -1.600 -6.864 -14.950 518 HE22 GLN 64 2HE2 GLN 64 -2.027 -8.439 -14.372 519 H GLY 65 H GLY 65 3.350 -7.544 -13.575 520 HA2 GLY 65 2HA GLY 65 4.308 -7.191 -15.647 521 HA3 GLY 65 3HA GLY 65 3.389 -5.705 -15.832 522 H ASN 66 H ASN 66 4.120 -3.977 -14.127 523 HA ASN 66 HA ASN 66 7.046 -3.882 -13.722 524 HB2 ASN 66 2HB ASN 66 6.585 -2.760 -15.897 525 HB3 ASN 66 3HB ASN 66 5.355 -1.757 -15.144 526 HD21 ASN 66 1HD2 ASN 66 8.741 -2.202 -15.687 527 HD22 ASN 66 2HD2 ASN 66 9.264 -0.730 -14.945 528 H LYS 67 H LYS 67 3.873 -2.325 -13.257 529 HA LYS 67 HA LYS 67 4.680 -0.617 -11.104 530 HB2 LYS 67 2HB LYS 67 1.806 -1.362 -11.807 531 HB3 LYS 67 3HB LYS 67 2.375 0.103 -11.011 532 HG2 LYS 67 2HG LYS 67 2.812 -0.673 -13.906 533 HG3 LYS 67 3HG LYS 67 1.729 0.586 -13.310 534 HD2 LYS 67 2HD LYS 67 3.637 1.918 -12.553 535 HD3 LYS 67 3HD LYS 67 4.755 0.615 -12.977 536 HE2 LYS 67 2HE LYS 67 4.807 2.360 -14.684 537 HE3 LYS 67 3HE LYS 67 4.146 0.872 -15.358 538 HZ1 LYS 67 3HZ LYS 67 2.583 3.253 -14.496 539 HZ2 LYS 67 1HZ LYS 67 1.918 1.813 -15.086 540 HZ3 LYS 67 2HZ LYS 67 2.883 2.769 -16.085 541 H LEU 68 H LEU 68 4.003 -0.743 -8.903 542 HA LEU 68 HA LEU 68 3.720 -3.522 -7.935 543 HB2 LEU 68 2HB LEU 68 5.654 -2.391 -7.038 544 HB3 LEU 68 3HB LEU 68 4.673 -1.042 -6.487 545 HG LEU 68 HG LEU 68 3.554 -2.495 -4.815 546 HD11 LEU 68 1HD1 LEU 68 3.615 -4.642 -5.994 547 HD12 LEU 68 2HD1 LEU 68 4.309 -4.795 -4.381 548 HD13 LEU 68 3HD1 LEU 68 5.367 -4.725 -5.793 549 HD21 LEU 68 3HD2 LEU 68 5.423 -2.804 -3.302 550 HD22 LEU 68 1HD2 LEU 68 5.593 -1.291 -4.192 551 HD23 LEU 68 2HD2 LEU 68 6.563 -2.694 -4.647 552 H ARG 69 H ARG 69 1.783 -4.136 -7.474 553 HA ARG 69 HA ARG 69 -0.267 -2.379 -6.302 554 HB2 ARG 69 2HB ARG 69 -0.939 -3.513 -8.339 555 HB3 ARG 69 3HB ARG 69 -0.337 -5.055 -7.746 556 HG2 ARG 69 2HG ARG 69 -2.142 -5.168 -6.108 557 HG3 ARG 69 3HG ARG 69 -2.714 -3.569 -6.594 558 HD2 ARG 69 2HD ARG 69 -2.591 -5.989 -8.426 559 HD3 ARG 69 3HD ARG 69 -4.042 -5.441 -7.586 560 HE ARG 69 HE ARG 69 -2.599 -3.761 -9.561 561 HH11 ARG 69 1HH1 ARG 69 -5.647 -5.110 -8.379 562 HH12 ARG 69 2HH1 ARG 69 -6.601 -4.229 -9.528 563 HH21 ARG 69 1HH2 ARG 69 -3.860 -2.592 -11.000 564 HH22 ARG 69 2HH2 ARG 69 -5.585 -2.796 -11.024 565 H ILE 70 H ILE 70 -0.666 -2.625 -4.113 566 HA ILE 70 HA ILE 70 0.124 -5.174 -2.780 567 HB ILE 70 HB ILE 70 0.454 -2.373 -1.589 568 HG12 ILE 70 2HG1 ILE 70 2.513 -4.496 -2.345 569 HG13 ILE 70 3HG1 ILE 70 2.290 -2.939 -3.131 570 HG21 ILE 70 1HG2 ILE 70 0.947 -5.073 -0.270 571 HG22 ILE 70 2HG2 ILE 70 -0.351 -3.948 0.137 572 HG23 ILE 70 3HG2 ILE 70 1.328 -3.503 0.444 573 HD11 ILE 70 3HD1 ILE 70 4.253 -2.941 -1.723 574 HD12 ILE 70 1HD1 ILE 70 3.289 -3.379 -0.312 575 HD13 ILE 70 2HD1 ILE 70 3.056 -1.811 -1.093 576 H ARG 71 H ARG 71 -1.477 -6.106 -1.599 577 HA ARG 71 HA ARG 71 -3.986 -4.617 -1.146 578 HB2 ARG 71 2HB ARG 71 -4.136 -6.771 -2.410 579 HB3 ARG 71 3HB ARG 71 -3.484 -7.621 -1.013 580 HG2 ARG 71 2HG ARG 71 -5.450 -7.078 0.310 581 HG3 ARG 71 3HG ARG 71 -6.067 -6.027 -0.965 582 HD2 ARG 71 2HD ARG 71 -5.734 -9.035 -1.152 583 HD3 ARG 71 3HD ARG 71 -7.257 -8.176 -0.900 584 HE ARG 71 HE ARG 71 -5.836 -7.394 -3.294 585 HH11 ARG 71 1HH1 ARG 71 -8.172 -9.691 -2.009 586 HH12 ARG 71 2HH1 ARG 71 -8.858 -10.034 -3.562 587 HH21 ARG 71 1HH2 ARG 71 -6.700 -7.878 -5.305 588 HH22 ARG 71 2HH2 ARG 71 -8.017 -8.996 -5.451 589 H LEU 72 H LEU 72 -4.546 -4.055 0.852 590 HA LEU 72 HA LEU 72 -3.107 -5.110 3.222 591 HB2 LEU 72 2HB LEU 72 -4.418 -2.380 2.856 592 HB3 LEU 72 3HB LEU 72 -3.666 -2.963 4.333 593 HG LEU 72 HG LEU 72 -2.306 -2.137 1.748 594 HD11 LEU 72 1HD1 LEU 72 -2.030 -1.180 4.612 595 HD12 LEU 72 2HD1 LEU 72 -2.881 -0.360 3.308 596 HD13 LEU 72 3HD1 LEU 72 -1.143 -0.562 3.220 597 HD21 LEU 72 3HD2 LEU 72 -1.184 -4.193 2.476 598 HD22 LEU 72 1HD2 LEU 72 -0.984 -3.534 4.102 599 HD23 LEU 72 2HD2 LEU 72 -0.149 -2.792 2.732 600 H LYS 73 H LYS 73 -4.409 -5.732 4.961 601 HA LYS 73 HA LYS 73 -7.320 -5.981 4.454 602 HB2 LYS 73 2HB LYS 73 -6.960 -8.483 4.963 603 HB3 LYS 73 3HB LYS 73 -6.467 -7.874 3.385 604 HG2 LYS 73 2HG LYS 73 -4.090 -7.624 4.483 605 HG3 LYS 73 3HG LYS 73 -4.730 -8.727 5.706 606 HD2 LYS 73 2HD LYS 73 -3.592 -10.061 4.096 607 HD3 LYS 73 3HD LYS 73 -5.321 -10.306 3.850 608 HE2 LYS 73 2HE LYS 73 -5.254 -8.690 1.949 609 HE3 LYS 73 3HE LYS 73 -3.515 -8.510 2.181 610 HZ1 LYS 73 3HZ LYS 73 -4.920 -11.023 1.459 611 HZ2 LYS 73 1HZ LYS 73 -3.255 -10.860 1.679 612 HZ3 LYS 73 2HZ LYS 73 -4.017 -10.059 0.404 613 H GLY 74 H GLY 74 -7.944 -4.870 6.116 614 HA2 GLY 74 2HA GLY 74 -6.979 -4.480 8.639 615 HA3 GLY 74 3HA GLY 74 -8.679 -4.370 8.235 616 H SER 75 H SER 75 -9.714 -6.731 8.047 617 HA SER 75 HA SER 75 -8.972 -8.219 10.507 618 HB2 SER 75 2HB SER 75 -11.260 -7.199 10.514 619 HB3 SER 75 3HB SER 75 -11.666 -8.106 9.061 620 HG SER 75 HG SER 75 -12.429 -9.190 10.866 621 H LEU 76 H LEU 76 -8.501 -10.377 10.338 622 HA LEU 76 HA LEU 76 -8.930 -11.821 7.797 623 HB2 LEU 76 2HB LEU 76 -6.253 -11.469 9.186 624 HB3 LEU 76 3HB LEU 76 -6.576 -12.885 8.201 625 HG LEU 76 HG LEU 76 -6.303 -10.006 7.272 626 HD11 LEU 76 1HD1 LEU 76 -4.875 -12.562 6.521 627 HD12 LEU 76 2HD1 LEU 76 -4.266 -11.308 7.604 628 HD13 LEU 76 3HD1 LEU 76 -4.536 -10.946 5.908 629 HD21 LEU 76 3HD2 LEU 76 -6.878 -10.752 4.996 630 HD22 LEU 76 1HD2 LEU 76 -8.259 -10.912 6.079 631 HD23 LEU 76 2HD2 LEU 76 -7.336 -12.341 5.613 632 H GLU 77 H GLU 77 -8.976 -14.048 7.971 633 HA GLU 77 HA GLU 77 -8.977 -15.343 10.625 634 HB2 GLU 77 2HB GLU 77 -9.720 -16.470 7.879 635 HB3 GLU 77 3HB GLU 77 -9.911 -17.304 9.422 636 HG2 GLU 77 2HG GLU 77 -11.612 -15.716 10.117 637 HG3 GLU 77 3HG GLU 77 -11.363 -14.751 8.661 638 H HIS 78 H HIS 78 -6.922 -15.914 11.193 639 HA HIS 78 HA HIS 78 -4.833 -16.461 9.274 640 HB2 HIS 78 2HB HIS 78 -4.953 -16.491 12.308 641 HB3 HIS 78 3HB HIS 78 -3.547 -17.117 11.455 642 HD1 HIS 78 HD1 HIS 78 -1.797 -15.383 11.735 643 HD2 HIS 78 HD2 HIS 78 -5.464 -13.714 10.730 644 HE1 HIS 78 HE1 HIS 78 -1.367 -12.935 11.442 645 HE2 HIS 78 HE2 HIS 78 -3.643 -11.932 11.089 646 H HIS 79 H HIS 79 -5.507 -18.180 8.064 647 HA HIS 79 HA HIS 79 -6.380 -20.688 9.259 648 HB2 HIS 79 2HB HIS 79 -7.472 -19.706 7.227 649 HB3 HIS 79 3HB HIS 79 -5.985 -19.955 6.326 650 HD1 HIS 79 HD1 HIS 79 -5.379 -22.380 5.664 651 HD2 HIS 79 HD2 HIS 79 -9.037 -22.008 7.612 652 HE1 HIS 79 HE1 HIS 79 -6.554 -24.574 5.331 653 HE2 HIS 79 HE2 HIS 79 -8.807 -24.274 6.410 654 H HIS 80 H HIS 80 -3.989 -20.396 10.228 655 HA HIS 80 HA HIS 80 -2.634 -22.771 9.115 656 HB2 HIS 80 2HB HIS 80 -1.188 -20.305 10.213 657 HB3 HIS 80 3HB HIS 80 -0.409 -21.856 9.925 658 HD1 HIS 80 HD1 HIS 80 -0.738 -18.698 8.387 659 HD2 HIS 80 HD2 HIS 80 -0.830 -22.606 6.967 660 HE1 HIS 80 HE1 HIS 80 -0.275 -18.539 5.929 661 HE2 HIS 80 HE2 HIS 80 -0.314 -20.906 5.098 662 H HIS 81 H HIS 81 -4.544 -21.687 11.396 663 HA HIS 81 HA HIS 81 -3.230 -22.966 13.720 664 HB2 HIS 81 2HB HIS 81 -5.598 -21.040 13.546 665 HB3 HIS 81 3HB HIS 81 -5.079 -21.818 15.034 666 HD1 HIS 81 HD1 HIS 81 -3.352 -20.631 16.374 667 HD2 HIS 81 HD2 HIS 81 -3.582 -19.159 12.494 668 HE1 HIS 81 HE1 HIS 81 -1.878 -18.600 16.328 669 HE2 HIS 81 HE2 HIS 81 -2.215 -17.616 14.044 670 H HIS 82 H HIS 82 -3.639 -25.118 13.137 671 HA HIS 82 HA HIS 82 -6.296 -26.064 12.466 672 HB2 HIS 82 2HB HIS 82 -4.207 -27.173 11.608 673 HB3 HIS 82 3HB HIS 82 -3.819 -27.684 13.247 674 HD1 HIS 82 HD1 HIS 82 -5.127 -29.713 14.195 675 HD2 HIS 82 HD2 HIS 82 -6.375 -28.565 10.398 676 HE1 HIS 82 HE1 HIS 82 -6.602 -31.575 13.371 677 HE2 HIS 82 HE2 HIS 82 -7.154 -30.945 11.003 678 H HIS 83 H HIS 83 -7.841 -26.349 13.944 679 HA HIS 83 HA HIS 83 -7.183 -27.348 16.641 680 HB2 HIS 83 2HB HIS 83 -8.845 -25.759 17.665 681 HB3 HIS 83 3HB HIS 83 -7.409 -24.976 17.032 682 HD1 HIS 83 HD1 HIS 83 -11.076 -24.930 16.838 683 HD2 HIS 83 HD2 HIS 83 -7.907 -23.416 14.632 684 HE1 HIS 83 HE1 HIS 83 -12.075 -23.192 15.331 685 HE2 HIS 83 HE2 HIS 83 -10.161 -22.415 13.903 Start of MODEL 14 1 H1 MET 1 1H MET 1 -19.784 -0.340 2.536 2 H2 MET 1 2H MET 1 -19.465 1.313 2.405 3 H3 MET 1 3H MET 1 -18.734 0.403 3.629 4 HA MET 1 HA MET 1 -18.305 0.043 0.730 5 HB2 MET 1 2HB MET 1 -16.539 1.350 2.849 6 HB3 MET 1 3HB MET 1 -15.966 0.911 1.243 7 HG2 MET 1 2HG MET 1 -16.489 3.291 1.343 8 HG3 MET 1 3HG MET 1 -17.586 2.473 0.229 9 HE1 MET 1 3HE MET 1 -19.986 5.212 1.666 10 HE2 MET 1 1HE MET 1 -19.397 4.414 0.207 11 HE3 MET 1 2HE MET 1 -18.298 5.389 1.188 12 H GLY 2 H GLY 2 -18.335 -2.170 0.614 13 HA2 GLY 2 2HA GLY 2 -16.584 -3.719 2.470 14 HA3 GLY 2 3HA GLY 2 -18.136 -4.303 1.894 15 H LEU 3 H LEU 3 -17.297 -2.947 -0.801 16 HA LEU 3 HA LEU 3 -15.958 -5.198 -2.015 17 HB2 LEU 3 2HB LEU 3 -16.577 -2.410 -3.094 18 HB3 LEU 3 3HB LEU 3 -15.926 -3.725 -4.062 19 HG LEU 3 HG LEU 3 -18.670 -3.721 -2.726 20 HD11 LEU 3 1HD1 LEU 3 -19.601 -3.481 -4.972 21 HD12 LEU 3 2HD1 LEU 3 -17.978 -3.354 -5.656 22 HD13 LEU 3 3HD1 LEU 3 -18.578 -2.106 -4.558 23 HD21 LEU 3 3HD2 LEU 3 -17.783 -5.996 -2.917 24 HD22 LEU 3 1HD2 LEU 3 -17.440 -5.748 -4.634 25 HD23 LEU 3 2HD2 LEU 3 -19.108 -5.755 -4.050 26 H THR 4 H THR 4 -13.801 -5.512 -2.057 27 HA THR 4 HA THR 4 -11.894 -3.573 -1.107 28 HB THR 4 HB THR 4 -11.470 -6.293 -2.429 29 HG1 THR 4 HG1 THR 4 -11.754 -5.388 0.247 30 HG21 THR 4 3HG2 THR 4 -9.472 -4.598 -0.862 31 HG22 THR 4 1HG2 THR 4 -9.391 -4.931 -2.597 32 HG23 THR 4 2HG2 THR 4 -9.197 -6.242 -1.435 33 H ARG 5 H ARG 5 -12.193 -1.841 -2.457 34 HA ARG 5 HA ARG 5 -11.928 -1.860 -5.286 35 HB2 ARG 5 2HB ARG 5 -11.805 0.604 -5.089 36 HB3 ARG 5 3HB ARG 5 -13.122 -0.065 -4.129 37 HG2 ARG 5 2HG ARG 5 -11.700 0.171 -2.084 38 HG3 ARG 5 3HG ARG 5 -10.442 0.915 -3.077 39 HD2 ARG 5 2HD ARG 5 -13.240 2.007 -2.582 40 HD3 ARG 5 3HD ARG 5 -11.730 2.637 -1.914 41 HE ARG 5 HE ARG 5 -11.591 2.614 -4.741 42 HH11 ARG 5 1HH1 ARG 5 -13.133 4.433 -2.143 43 HH12 ARG 5 2HH1 ARG 5 -13.256 5.882 -3.086 44 HH21 ARG 5 1HH2 ARG 5 -11.780 4.496 -5.952 45 HH22 ARG 5 2HH2 ARG 5 -12.485 5.916 -5.252 46 H THR 6 H THR 6 -10.206 -0.756 -6.508 47 HA THR 6 HA THR 6 -7.491 -1.343 -5.455 48 HB THR 6 HB THR 6 -8.500 -1.596 -8.332 49 HG1 THR 6 HG1 THR 6 -7.541 -3.707 -6.710 50 HG21 THR 6 3HG2 THR 6 -6.284 -2.562 -8.841 51 HG22 THR 6 1HG2 THR 6 -5.757 -2.277 -7.182 52 HG23 THR 6 2HG2 THR 6 -6.106 -0.909 -8.246 53 H ILE 7 H ILE 7 -6.513 0.560 -5.086 54 HA ILE 7 HA ILE 7 -7.401 3.008 -6.491 55 HB ILE 7 HB ILE 7 -5.829 2.724 -3.883 56 HG12 ILE 7 2HG1 ILE 7 -8.809 3.281 -4.278 57 HG13 ILE 7 3HG1 ILE 7 -8.119 1.769 -3.691 58 HG21 ILE 7 1HG2 ILE 7 -5.449 4.898 -4.989 59 HG22 ILE 7 2HG2 ILE 7 -6.359 5.095 -3.493 60 HG23 ILE 7 3HG2 ILE 7 -7.191 5.183 -5.051 61 HD11 ILE 7 3HD1 ILE 7 -7.999 4.439 -2.289 62 HD12 ILE 7 1HD1 ILE 7 -7.276 2.933 -1.710 63 HD13 ILE 7 2HD1 ILE 7 -9.026 3.066 -1.879 64 H THR 8 H THR 8 -6.096 3.672 -8.104 65 HA THR 8 HA THR 8 -3.243 2.863 -8.157 66 HB THR 8 HB THR 8 -3.385 3.405 -10.644 67 HG1 THR 8 HG1 THR 8 -5.205 4.723 -10.677 68 HG21 THR 8 3HG2 THR 8 -4.555 1.337 -11.281 69 HG22 THR 8 1HG2 THR 8 -5.311 1.250 -9.687 70 HG23 THR 8 2HG2 THR 8 -3.563 1.058 -9.847 71 H SER 9 H SER 9 -1.989 4.435 -7.378 72 HA SER 9 HA SER 9 -2.497 7.246 -8.143 73 HB2 SER 9 2HB SER 9 -1.759 6.319 -5.337 74 HB3 SER 9 3HB SER 9 -2.056 7.979 -5.853 75 HG SER 9 HG SER 9 -3.923 7.243 -4.931 76 H GLN 10 H GLN 10 -0.721 8.397 -8.627 77 HA GLN 10 HA GLN 10 1.883 7.175 -8.835 78 HB2 GLN 10 2HB GLN 10 0.871 10.005 -9.316 79 HB3 GLN 10 3HB GLN 10 2.554 9.542 -9.563 80 HG2 GLN 10 2HG GLN 10 1.852 7.923 -11.286 81 HG3 GLN 10 3HG GLN 10 0.167 8.373 -11.032 82 HE21 GLN 10 1HE2 GLN 10 0.053 8.926 -13.261 83 HE22 GLN 10 2HE2 GLN 10 0.703 10.417 -13.847 84 H ASN 11 H ASN 11 0.181 8.710 -6.314 85 HA ASN 11 HA ASN 11 2.642 9.469 -4.857 86 HB2 ASN 11 2HB ASN 11 0.825 11.251 -5.294 87 HB3 ASN 11 3HB ASN 11 -0.225 10.327 -4.227 88 HD21 ASN 11 1HD2 ASN 11 0.633 13.040 -3.861 89 HD22 ASN 11 2HD2 ASN 11 1.550 13.103 -2.393 90 H LYS 12 H LYS 12 3.242 7.883 -3.500 91 HA LYS 12 HA LYS 12 1.482 5.795 -2.612 92 HB2 LYS 12 2HB LYS 12 3.486 4.972 -1.318 93 HB3 LYS 12 3HB LYS 12 3.723 5.151 -3.040 94 HG2 LYS 12 2HG LYS 12 5.708 6.017 -2.299 95 HG3 LYS 12 3HG LYS 12 4.750 7.498 -2.361 96 HD2 LYS 12 2HD LYS 12 4.293 7.224 0.115 97 HD3 LYS 12 3HD LYS 12 5.389 5.834 0.112 98 HE2 LYS 12 2HE LYS 12 7.183 7.394 -0.778 99 HE3 LYS 12 3HE LYS 12 6.075 8.732 -0.469 100 HZ1 LYS 12 3HZ LYS 12 6.092 8.196 1.852 101 HZ2 LYS 12 1HZ LYS 12 7.692 8.352 1.319 102 HZ3 LYS 12 2HZ LYS 12 7.026 6.816 1.588 103 H GLU 13 H GLU 13 2.307 8.891 -1.265 104 HA GLU 13 HA GLU 13 1.903 8.370 1.483 105 HB2 GLU 13 2HB GLU 13 1.585 10.910 -0.157 106 HB3 GLU 13 3HB GLU 13 1.400 10.885 1.599 107 HG2 GLU 13 2HG GLU 13 3.921 10.052 0.111 108 HG3 GLU 13 3HG GLU 13 3.652 11.647 0.820 109 H GLU 14 H GLU 14 -0.405 9.577 -1.008 110 HA GLU 14 HA GLU 14 -2.660 9.718 0.679 111 HB2 GLU 14 2HB GLU 14 -4.033 9.791 -1.346 112 HB3 GLU 14 3HB GLU 14 -2.625 10.835 -1.515 113 HG2 GLU 14 2HG GLU 14 -1.527 9.171 -2.929 114 HG3 GLU 14 3HG GLU 14 -2.875 8.057 -2.707 115 H LEU 15 H LEU 15 -1.203 7.051 -1.092 116 HA LEU 15 HA LEU 15 -3.306 5.159 -0.858 117 HB2 LEU 15 2HB LEU 15 -0.303 4.769 -1.204 118 HB3 LEU 15 3HB LEU 15 -1.475 3.459 -1.309 119 HG LEU 15 HG LEU 15 -1.357 5.874 -3.167 120 HD11 LEU 15 1HD1 LEU 15 -0.574 3.001 -3.713 121 HD12 LEU 15 2HD1 LEU 15 0.521 4.380 -3.570 122 HD13 LEU 15 3HD1 LEU 15 -0.631 4.308 -4.902 123 HD21 LEU 15 3HD2 LEU 15 -3.060 4.717 -4.494 124 HD22 LEU 15 1HD2 LEU 15 -3.650 5.071 -2.874 125 HD23 LEU 15 2HD2 LEU 15 -3.147 3.430 -3.291 126 H LEU 16 H LEU 16 -0.713 6.173 1.328 127 HA LEU 16 HA LEU 16 -0.936 4.002 3.214 128 HB2 LEU 16 2HB LEU 16 0.204 6.797 3.591 129 HB3 LEU 16 3HB LEU 16 0.424 5.455 4.712 130 HG LEU 16 HG LEU 16 1.473 5.564 1.864 131 HD11 LEU 16 1HD1 LEU 16 2.975 5.840 4.474 132 HD12 LEU 16 2HD1 LEU 16 2.644 7.132 3.315 133 HD13 LEU 16 3HD1 LEU 16 3.684 5.788 2.855 134 HD21 LEU 16 3HD2 LEU 16 1.932 3.458 4.002 135 HD22 LEU 16 1HD2 LEU 16 2.656 3.500 2.390 136 HD23 LEU 16 2HD2 LEU 16 0.923 3.272 2.565 137 H GLU 17 H GLU 17 -2.163 7.309 3.052 138 HA GLU 17 HA GLU 17 -3.465 7.411 5.556 139 HB2 GLU 17 2HB GLU 17 -4.074 8.933 2.984 140 HB3 GLU 17 3HB GLU 17 -4.631 9.389 4.599 141 HG2 GLU 17 2HG GLU 17 -2.332 9.795 5.320 142 HG3 GLU 17 3HG GLU 17 -1.706 9.206 3.779 143 H ILE 18 H ILE 18 -4.779 6.719 2.283 144 HA ILE 18 HA ILE 18 -7.452 6.218 3.146 145 HB ILE 18 HB ILE 18 -6.168 5.256 0.542 146 HG12 ILE 18 2HG1 ILE 18 -7.747 7.847 0.934 147 HG13 ILE 18 3HG1 ILE 18 -5.991 7.783 0.974 148 HG21 ILE 18 1HG2 ILE 18 -8.325 4.159 1.010 149 HG22 ILE 18 2HG2 ILE 18 -8.500 5.277 -0.344 150 HG23 ILE 18 3HG2 ILE 18 -9.096 5.729 1.256 151 HD11 ILE 18 3HD1 ILE 18 -6.808 8.541 -1.181 152 HD12 ILE 18 1HD1 ILE 18 -7.708 7.040 -1.398 153 HD13 ILE 18 2HD1 ILE 18 -5.943 7.014 -1.340 154 H ALA 19 H ALA 19 -4.605 4.160 2.692 155 HA ALA 19 HA ALA 19 -5.712 1.618 3.076 156 HB1 ALA 19 3HB ALA 19 -3.468 0.977 3.913 157 HB2 ALA 19 1HB ALA 19 -3.027 2.680 3.994 158 HB3 ALA 19 2HB ALA 19 -3.384 1.933 2.434 159 H LEU 20 H LEU 20 -4.322 3.819 5.496 160 HA LEU 20 HA LEU 20 -4.673 2.291 7.781 161 HB2 LEU 20 2HB LEU 20 -3.218 4.254 7.690 162 HB3 LEU 20 3HB LEU 20 -4.602 5.311 7.468 163 HG LEU 20 HG LEU 20 -5.388 4.752 9.785 164 HD11 LEU 20 1HD1 LEU 20 -4.393 2.522 10.012 165 HD12 LEU 20 2HD1 LEU 20 -3.955 3.569 11.357 166 HD13 LEU 20 3HD1 LEU 20 -2.781 3.238 10.083 167 HD21 LEU 20 3HD2 LEU 20 -3.700 6.046 10.999 168 HD22 LEU 20 1HD2 LEU 20 -4.040 6.756 9.422 169 HD23 LEU 20 2HD2 LEU 20 -2.557 5.829 9.670 170 H LYS 21 H LYS 21 -6.916 4.630 6.285 171 HA LYS 21 HA LYS 21 -8.828 4.586 8.401 172 HB2 LYS 21 2HB LYS 21 -10.297 5.867 7.014 173 HB3 LYS 21 3HB LYS 21 -8.667 6.450 6.714 174 HG2 LYS 21 2HG LYS 21 -8.603 5.209 4.593 175 HG3 LYS 21 3HG LYS 21 -10.226 4.583 4.893 176 HD2 LYS 21 2HD LYS 21 -9.477 7.514 4.498 177 HD3 LYS 21 3HD LYS 21 -10.254 6.477 3.298 178 HE2 LYS 21 2HE LYS 21 -12.240 6.270 4.754 179 HE3 LYS 21 3HE LYS 21 -11.458 7.260 5.985 180 HZ1 LYS 21 3HZ LYS 21 -11.440 9.116 4.455 181 HZ2 LYS 21 1HZ LYS 21 -13.017 8.543 4.659 182 HZ3 LYS 21 2HZ LYS 21 -12.158 8.179 3.249 183 H PHE 22 H PHE 22 -8.417 2.573 5.480 184 HA PHE 22 HA PHE 22 -10.994 1.293 5.673 185 HB2 PHE 22 2HB PHE 22 -8.551 0.893 3.975 186 HB3 PHE 22 3HB PHE 22 -9.597 -0.508 4.167 187 HD1 PHE 22 HD1 PHE 22 -9.760 3.136 3.247 188 HD2 PHE 22 HD2 PHE 22 -11.430 -0.771 2.706 189 HE1 PHE 22 HE1 PHE 22 -11.239 4.005 1.496 190 HE2 PHE 22 HE2 PHE 22 -12.910 0.116 0.954 191 HZ PHE 22 HZ PHE 22 -12.818 2.503 0.347 192 H ILE 23 H ILE 23 -7.728 0.499 6.794 193 HA ILE 23 HA ILE 23 -8.368 -2.115 7.784 194 HB ILE 23 HB ILE 23 -6.030 -0.324 8.596 195 HG12 ILE 23 2HG1 ILE 23 -6.041 -0.601 6.129 196 HG13 ILE 23 3HG1 ILE 23 -4.680 -1.452 6.844 197 HG21 ILE 23 1HG2 ILE 23 -4.870 -2.454 9.140 198 HG22 ILE 23 2HG2 ILE 23 -6.350 -3.343 8.770 199 HG23 ILE 23 3HG2 ILE 23 -6.315 -2.207 10.121 200 HD11 ILE 23 3HD1 ILE 23 -5.676 -2.708 5.035 201 HD12 ILE 23 1HD1 ILE 23 -7.241 -2.706 5.845 202 HD13 ILE 23 2HD1 ILE 23 -5.876 -3.575 6.555 203 H SER 24 H SER 24 -8.347 1.164 9.130 204 HA SER 24 HA SER 24 -8.902 0.622 11.840 205 HB2 SER 24 2HB SER 24 -8.206 2.860 10.971 206 HB3 SER 24 3HB SER 24 -9.769 3.032 10.175 207 HG SER 24 HG SER 24 -9.080 3.400 12.803 208 H GLN 25 H GLN 25 -10.994 0.747 9.007 209 HA GLN 25 HA GLN 25 -13.487 0.496 10.511 210 HB2 GLN 25 2HB GLN 25 -12.911 0.434 7.516 211 HB3 GLN 25 3HB GLN 25 -14.527 0.399 8.219 212 HG2 GLN 25 2HG GLN 25 -14.247 2.646 9.092 213 HG3 GLN 25 3HG GLN 25 -12.565 2.688 8.588 214 HE21 GLN 25 1HE2 GLN 25 -12.093 2.850 6.332 215 HE22 GLN 25 2HE2 GLN 25 -13.265 3.433 5.207 216 H GLY 26 H GLY 26 -11.069 -1.621 9.919 217 HA2 GLY 26 2HA GLY 26 -10.853 -3.886 10.048 218 HA3 GLY 26 3HA GLY 26 -12.570 -3.991 10.417 219 H LEU 27 H LEU 27 -11.345 -2.491 7.522 220 HA LEU 27 HA LEU 27 -12.725 -4.472 5.821 221 HB2 LEU 27 2HB LEU 27 -11.843 -1.618 5.209 222 HB3 LEU 27 3HB LEU 27 -12.729 -2.666 4.106 223 HG LEU 27 HG LEU 27 -13.800 -1.641 6.767 224 HD11 LEU 27 1HD1 LEU 27 -15.223 -0.153 5.445 225 HD12 LEU 27 2HD1 LEU 27 -14.421 -0.677 3.961 226 HD13 LEU 27 3HD1 LEU 27 -13.515 0.198 5.200 227 HD21 LEU 27 3HD2 LEU 27 -15.204 -3.169 4.544 228 HD22 LEU 27 1HD2 LEU 27 -15.979 -2.481 5.975 229 HD23 LEU 27 2HD2 LEU 27 -14.808 -3.781 6.154 230 H ASP 28 H ASP 28 -11.745 -4.913 3.718 231 HA ASP 28 HA ASP 28 -8.791 -5.013 3.750 232 HB2 ASP 28 2HB ASP 28 -10.628 -6.438 1.771 233 HB3 ASP 28 3HB ASP 28 -8.943 -6.797 2.138 234 H LEU 29 H LEU 29 -7.647 -4.060 2.059 235 HA LEU 29 HA LEU 29 -9.081 -2.496 0.016 236 HB2 LEU 29 2HB LEU 29 -8.617 -0.941 1.924 237 HB3 LEU 29 3HB LEU 29 -6.907 -1.331 1.811 238 HG LEU 29 HG LEU 29 -6.849 -0.345 -0.496 239 HD11 LEU 29 1HD1 LEU 29 -9.715 0.465 0.039 240 HD12 LEU 29 2HD1 LEU 29 -9.165 -0.734 -1.135 241 HD13 LEU 29 3HD1 LEU 29 -8.727 0.956 -1.343 242 HD21 LEU 29 3HD2 LEU 29 -7.005 2.009 0.142 243 HD22 LEU 29 1HD2 LEU 29 -6.227 1.060 1.404 244 HD23 LEU 29 2HD2 LEU 29 -7.906 1.573 1.600 245 H GLU 30 H GLU 30 -7.953 -2.344 -1.921 246 HA GLU 30 HA GLU 30 -5.188 -3.430 -1.978 247 HB2 GLU 30 2HB GLU 30 -6.809 -4.939 -3.089 248 HB3 GLU 30 3HB GLU 30 -7.319 -3.623 -4.143 249 HG2 GLU 30 2HG GLU 30 -5.199 -3.581 -5.274 250 HG3 GLU 30 3HG GLU 30 -4.458 -4.624 -4.054 251 H VAL 31 H VAL 31 -3.710 -2.146 -2.829 252 HA VAL 31 HA VAL 31 -4.475 0.249 -4.383 253 HB VAL 31 HB VAL 31 -2.582 1.491 -3.227 254 HG11 VAL 31 1HG1 VAL 31 -3.839 2.043 -1.157 255 HG12 VAL 31 2HG1 VAL 31 -4.873 0.634 -1.411 256 HG13 VAL 31 3HG1 VAL 31 -4.894 1.967 -2.572 257 HG21 VAL 31 3HG2 VAL 31 -1.757 0.682 -1.044 258 HG22 VAL 31 1HG2 VAL 31 -1.316 -0.430 -2.338 259 HG23 VAL 31 2HG2 VAL 31 -2.647 -0.825 -1.246 260 H GLU 32 H GLU 32 -3.244 0.566 -6.149 261 HA GLU 32 HA GLU 32 -0.842 -1.109 -6.601 262 HB2 GLU 32 2HB GLU 32 -2.752 -1.878 -7.990 263 HB3 GLU 32 3HB GLU 32 -2.943 -0.254 -8.648 264 HG2 GLU 32 2HG GLU 32 -0.726 -0.392 -9.706 265 HG3 GLU 32 3HG GLU 32 -0.466 -1.981 -8.986 266 H PHE 33 H PHE 33 0.885 0.145 -6.638 267 HA PHE 33 HA PHE 33 0.681 3.020 -6.729 268 HB2 PHE 33 2HB PHE 33 2.188 1.782 -5.171 269 HB3 PHE 33 3HB PHE 33 3.129 1.219 -6.547 270 HD1 PHE 33 HD1 PHE 33 1.745 4.631 -5.769 271 HD2 PHE 33 HD2 PHE 33 5.242 2.214 -6.290 272 HE1 PHE 33 HE1 PHE 33 3.163 6.615 -5.529 273 HE2 PHE 33 HE2 PHE 33 6.636 4.208 -6.055 274 HZ PHE 33 HZ PHE 33 5.606 6.409 -5.678 275 H ASP 34 H ASP 34 0.635 4.102 -8.584 276 HA ASP 34 HA ASP 34 1.556 2.935 -11.081 277 HB2 ASP 34 2HB ASP 34 -0.646 4.148 -10.964 278 HB3 ASP 34 3HB ASP 34 0.221 5.644 -10.614 279 H SER 35 H SER 35 3.772 2.884 -10.408 280 HA SER 35 HA SER 35 5.274 5.025 -11.559 281 HB2 SER 35 2HB SER 35 5.024 5.953 -9.271 282 HB3 SER 35 3HB SER 35 5.676 4.471 -8.582 283 HG SER 35 HG SER 35 7.053 6.514 -9.132 284 H THR 36 H THR 36 7.228 4.315 -12.282 285 HA THR 36 HA THR 36 8.227 1.657 -11.404 286 HB THR 36 HB THR 36 9.288 1.436 -13.664 287 HG1 THR 36 HG1 THR 36 9.397 3.210 -14.781 288 HG21 THR 36 3HG2 THR 36 7.098 0.357 -13.243 289 HG22 THR 36 1HG2 THR 36 7.249 0.879 -14.923 290 HG23 THR 36 2HG2 THR 36 6.267 1.816 -13.792 291 H ASP 37 H ASP 37 8.701 4.549 -10.492 292 HA ASP 37 HA ASP 37 11.582 4.865 -10.832 293 HB2 ASP 37 2HB ASP 37 10.110 6.880 -10.619 294 HB3 ASP 37 3HB ASP 37 9.625 6.358 -9.013 295 H ASP 38 H ASP 38 12.878 3.567 -9.740 296 HA ASP 38 HA ASP 38 12.307 1.632 -7.918 297 HB2 ASP 38 2HB ASP 38 14.934 3.156 -8.179 298 HB3 ASP 38 3HB ASP 38 14.758 1.614 -7.343 299 H LYS 39 H LYS 39 13.347 4.969 -7.084 300 HA LYS 39 HA LYS 39 13.741 4.550 -4.307 301 HB2 LYS 39 2HB LYS 39 13.023 7.153 -5.717 302 HB3 LYS 39 3HB LYS 39 13.706 7.011 -4.099 303 HG2 LYS 39 2HG LYS 39 15.794 6.098 -5.051 304 HG3 LYS 39 3HG LYS 39 15.109 6.201 -6.676 305 HD2 LYS 39 2HD LYS 39 15.745 8.526 -4.808 306 HD3 LYS 39 3HD LYS 39 16.623 8.084 -6.274 307 HE2 LYS 39 2HE LYS 39 13.772 9.138 -6.128 308 HE3 LYS 39 3HE LYS 39 15.187 10.020 -6.692 309 HZ1 LYS 39 3HZ LYS 39 13.874 9.219 -8.540 310 HZ2 LYS 39 1HZ LYS 39 13.988 7.627 -7.992 311 HZ3 LYS 39 2HZ LYS 39 15.368 8.434 -8.535 312 H GLU 40 H GLU 40 11.011 5.736 -6.189 313 HA GLU 40 HA GLU 40 9.214 6.403 -4.115 314 HB2 GLU 40 2HB GLU 40 8.755 5.574 -7.011 315 HB3 GLU 40 3HB GLU 40 7.476 6.189 -5.965 316 HG2 GLU 40 2HG GLU 40 9.981 7.736 -6.706 317 HG3 GLU 40 3HG GLU 40 8.438 7.872 -7.545 318 H ILE 41 H ILE 41 9.664 3.420 -6.014 319 HA ILE 41 HA ILE 41 7.507 1.924 -4.938 320 HB ILE 41 HB ILE 41 10.060 0.967 -6.312 321 HG12 ILE 41 2HG1 ILE 41 7.265 1.407 -7.476 322 HG13 ILE 41 3HG1 ILE 41 8.631 2.493 -7.695 323 HG21 ILE 41 1HG2 ILE 41 8.873 -1.154 -6.768 324 HG22 ILE 41 2HG2 ILE 41 7.490 -0.592 -5.829 325 HG23 ILE 41 3HG2 ILE 41 9.040 -0.882 -5.035 326 HD11 ILE 41 3HD1 ILE 41 9.834 0.743 -8.910 327 HD12 ILE 41 1HD1 ILE 41 8.281 1.120 -9.653 328 HD13 ILE 41 2HD1 ILE 41 8.461 -0.347 -8.697 329 H GLU 42 H GLU 42 10.958 2.168 -4.054 330 HA GLU 42 HA GLU 42 11.154 0.209 -2.068 331 HB2 GLU 42 2HB GLU 42 12.579 2.886 -2.377 332 HB3 GLU 42 3HB GLU 42 12.976 1.758 -1.085 333 HG2 GLU 42 2HG GLU 42 13.201 1.163 -4.044 334 HG3 GLU 42 3HG GLU 42 14.538 1.674 -3.016 335 H GLU 43 H GLU 43 10.252 3.654 -1.828 336 HA GLU 43 HA GLU 43 9.706 3.715 0.929 337 HB2 GLU 43 2HB GLU 43 8.662 5.477 -1.312 338 HB3 GLU 43 3HB GLU 43 8.315 5.770 0.393 339 HG2 GLU 43 2HG GLU 43 10.969 5.696 0.605 340 HG3 GLU 43 3HG GLU 43 10.903 6.091 -1.115 341 H PHE 44 H PHE 44 7.564 3.013 -1.868 342 HA PHE 44 HA PHE 44 5.092 3.057 -0.506 343 HB2 PHE 44 2HB PHE 44 5.198 3.151 -2.946 344 HB3 PHE 44 3HB PHE 44 5.967 1.572 -3.016 345 HD1 PHE 44 HD1 PHE 44 2.799 3.065 -1.583 346 HD2 PHE 44 HD2 PHE 44 4.583 -0.187 -3.726 347 HE1 PHE 44 HE1 PHE 44 0.585 2.027 -1.871 348 HE2 PHE 44 HE2 PHE 44 2.366 -1.210 -3.998 349 HZ PHE 44 HZ PHE 44 0.371 -0.112 -3.072 350 H GLU 45 H GLU 45 7.374 0.428 -1.191 351 HA GLU 45 HA GLU 45 5.990 -1.717 -0.047 352 HB2 GLU 45 2HB GLU 45 8.969 -1.245 -0.429 353 HB3 GLU 45 3HB GLU 45 8.293 -2.788 0.121 354 HG2 GLU 45 2HG GLU 45 7.028 -3.000 -1.956 355 HG3 GLU 45 3HG GLU 45 7.616 -1.426 -2.504 356 H ARG 46 H ARG 46 8.683 0.178 1.402 357 HA ARG 46 HA ARG 46 8.690 -1.211 3.846 358 HB2 ARG 46 2HB ARG 46 10.249 0.444 4.662 359 HB3 ARG 46 3HB ARG 46 10.622 0.094 2.980 360 HG2 ARG 46 2HG ARG 46 9.489 2.213 2.319 361 HG3 ARG 46 3HG ARG 46 9.192 2.566 4.023 362 HD2 ARG 46 2HD ARG 46 11.912 2.298 2.688 363 HD3 ARG 46 3HD ARG 46 11.145 3.803 3.209 364 HE ARG 46 HE ARG 46 11.524 1.853 5.327 365 HH11 ARG 46 1HH1 ARG 46 13.012 4.597 3.664 366 HH12 ARG 46 2HH1 ARG 46 14.074 4.953 4.986 367 HH21 ARG 46 1HH2 ARG 46 12.936 2.357 7.023 368 HH22 ARG 46 2HH2 ARG 46 14.030 3.695 6.873 369 H ASP 47 H ASP 47 7.052 1.768 2.894 370 HA ASP 47 HA ASP 47 5.894 2.447 5.355 371 HB2 ASP 47 2HB ASP 47 5.085 3.075 2.502 372 HB3 ASP 47 3HB ASP 47 4.205 3.710 3.886 373 H MET 48 H MET 48 4.515 0.471 2.680 374 HA MET 48 HA MET 48 2.030 -0.073 3.977 375 HB2 MET 48 2HB MET 48 3.455 -1.474 1.690 376 HB3 MET 48 3HB MET 48 1.914 -2.063 2.315 377 HG2 MET 48 2HG MET 48 2.437 0.655 1.090 378 HG3 MET 48 3HG MET 48 1.525 -0.678 0.367 379 HE1 MET 48 3HE MET 48 0.360 2.481 0.914 380 HE2 MET 48 1HE MET 48 -1.296 1.951 1.190 381 HE3 MET 48 2HE MET 48 -0.326 1.195 -0.075 382 H GLU 49 H GLU 49 5.144 -1.695 4.033 383 HA GLU 49 HA GLU 49 4.446 -3.972 5.568 384 HB2 GLU 49 2HB GLU 49 7.094 -2.497 5.264 385 HB3 GLU 49 3HB GLU 49 6.919 -4.041 6.107 386 HG2 GLU 49 2HG GLU 49 6.183 -5.116 4.048 387 HG3 GLU 49 3HG GLU 49 6.246 -3.576 3.185 388 H ASP 50 H ASP 50 5.776 -0.792 6.437 389 HA ASP 50 HA ASP 50 6.076 -1.062 9.193 390 HB2 ASP 50 2HB ASP 50 7.018 0.847 8.001 391 HB3 ASP 50 3HB ASP 50 5.422 1.382 7.491 392 H LEU 51 H LEU 51 3.376 0.207 7.325 393 HA LEU 51 HA LEU 51 1.566 0.730 9.385 394 HB2 LEU 51 2HB LEU 51 1.444 1.596 7.028 395 HB3 LEU 51 3HB LEU 51 0.953 -0.005 6.501 396 HG LEU 51 HG LEU 51 -1.128 0.182 7.876 397 HD11 LEU 51 1HD1 LEU 51 -1.779 2.339 8.848 398 HD12 LEU 51 2HD1 LEU 51 -0.187 3.003 8.460 399 HD13 LEU 51 3HD1 LEU 51 -0.339 1.680 9.620 400 HD21 LEU 51 3HD2 LEU 51 -2.297 1.792 6.456 401 HD22 LEU 51 1HD2 LEU 51 -1.173 0.822 5.506 402 HD23 LEU 51 2HD2 LEU 51 -0.756 2.484 5.935 403 H ALA 52 H ALA 52 1.994 -2.202 7.333 404 HA ALA 52 HA ALA 52 -0.199 -3.690 8.239 405 HB1 ALA 52 3HB ALA 52 1.071 -4.264 6.223 406 HB2 ALA 52 1HB ALA 52 0.942 -5.652 7.310 407 HB3 ALA 52 2HB ALA 52 2.452 -4.738 7.212 408 H LYS 53 H LYS 53 3.149 -3.650 9.477 409 HA LYS 53 HA LYS 53 2.875 -5.560 11.528 410 HB2 LYS 53 2HB LYS 53 4.804 -3.287 11.036 411 HB3 LYS 53 3HB LYS 53 4.778 -3.984 12.639 412 HG2 LYS 53 2HG LYS 53 6.509 -5.147 11.647 413 HG3 LYS 53 3HG LYS 53 5.166 -6.267 11.463 414 HD2 LYS 53 2HD LYS 53 5.948 -4.370 9.227 415 HD3 LYS 53 3HD LYS 53 6.809 -5.885 9.473 416 HE2 LYS 53 2HE LYS 53 3.843 -5.602 8.870 417 HE3 LYS 53 3HE LYS 53 5.099 -6.136 7.748 418 HZ1 LYS 53 3HZ LYS 53 5.513 -8.029 9.211 419 HZ2 LYS 53 1HZ LYS 53 3.929 -8.017 8.634 420 HZ3 LYS 53 2HZ LYS 53 4.251 -7.544 10.224 421 H LYS 54 H LYS 54 2.485 -2.029 11.576 422 HA LYS 54 HA LYS 54 1.845 -1.769 14.335 423 HB2 LYS 54 2HB LYS 54 1.403 0.146 12.013 424 HB3 LYS 54 3HB LYS 54 1.227 0.582 13.716 425 HG2 LYS 54 2HG LYS 54 3.588 0.191 14.124 426 HG3 LYS 54 3HG LYS 54 3.812 -0.456 12.498 427 HD2 LYS 54 2HD LYS 54 4.667 1.825 12.601 428 HD3 LYS 54 3HD LYS 54 3.262 1.756 11.535 429 HE2 LYS 54 2HE LYS 54 1.855 2.688 13.351 430 HE3 LYS 54 3HE LYS 54 3.271 2.756 14.406 431 HZ1 LYS 54 3HZ LYS 54 4.305 4.250 12.759 432 HZ2 LYS 54 1HZ LYS 54 2.906 4.893 13.453 433 HZ3 LYS 54 2HZ LYS 54 2.857 4.264 11.889 434 H THR 55 H THR 55 -0.122 -2.590 11.603 435 HA THR 55 HA THR 55 -2.625 -2.149 13.116 436 HB THR 55 HB THR 55 -3.779 -2.658 10.946 437 HG1 THR 55 HG1 THR 55 -1.521 -2.308 9.412 438 HG21 THR 55 3HG2 THR 55 -3.302 -0.301 11.531 439 HG22 THR 55 1HG2 THR 55 -3.195 -0.554 9.787 440 HG23 THR 55 2HG2 THR 55 -1.723 -0.423 10.752 441 H GLY 56 H GLY 56 -0.370 -4.626 12.411 442 HA2 GLY 56 2HA GLY 56 -0.339 -6.826 13.052 443 HA3 GLY 56 3HA GLY 56 -1.930 -6.621 13.773 444 H VAL 57 H VAL 57 -1.368 -5.821 10.411 445 HA VAL 57 HA VAL 57 -2.897 -8.210 9.538 446 HB VAL 57 HB VAL 57 -3.788 -7.006 7.692 447 HG11 VAL 57 1HG1 VAL 57 -5.047 -5.156 8.710 448 HG12 VAL 57 2HG1 VAL 57 -3.935 -5.150 10.084 449 HG13 VAL 57 3HG1 VAL 57 -4.960 -6.559 9.780 450 HG21 VAL 57 3HG2 VAL 57 -1.864 -5.752 6.903 451 HG22 VAL 57 1HG2 VAL 57 -1.933 -4.678 8.308 452 HG23 VAL 57 2HG2 VAL 57 -3.227 -4.649 7.106 453 H GLN 58 H GLN 58 -2.394 -8.722 7.146 454 HA GLN 58 HA GLN 58 0.544 -8.846 6.764 455 HB2 GLN 58 2HB GLN 58 -1.680 -10.616 5.641 456 HB3 GLN 58 3HB GLN 58 0.041 -10.824 5.313 457 HG2 GLN 58 2HG GLN 58 0.478 -11.398 7.611 458 HG3 GLN 58 3HG GLN 58 -1.165 -10.979 8.096 459 HE21 GLN 58 1HE2 GLN 58 -2.861 -12.412 7.558 460 HE22 GLN 58 2HE2 GLN 58 -2.563 -14.053 7.103 461 H ILE 59 H ILE 59 1.333 -8.666 4.556 462 HA ILE 59 HA ILE 59 -0.283 -6.907 2.782 463 HB ILE 59 HB ILE 59 1.871 -6.219 1.748 464 HG12 ILE 59 2HG1 ILE 59 3.200 -7.964 3.879 465 HG13 ILE 59 3HG1 ILE 59 3.185 -8.284 2.150 466 HG21 ILE 59 1HG2 ILE 59 2.754 -4.836 3.568 467 HG22 ILE 59 2HG2 ILE 59 1.920 -5.841 4.755 468 HG23 ILE 59 3HG2 ILE 59 0.992 -4.880 3.610 469 HD11 ILE 59 3HD1 ILE 59 5.312 -7.402 2.863 470 HD12 ILE 59 1HD1 ILE 59 4.533 -5.953 3.502 471 HD13 ILE 59 2HD1 ILE 59 4.515 -6.279 1.762 472 H GLN 60 H GLN 60 0.040 -7.276 0.426 473 HA GLN 60 HA GLN 60 1.423 -9.753 -0.346 474 HB2 GLN 60 2HB GLN 60 -1.056 -10.285 -0.206 475 HB3 GLN 60 3HB GLN 60 -1.349 -9.051 -1.427 476 HG2 GLN 60 2HG GLN 60 -1.316 -11.192 -2.534 477 HG3 GLN 60 3HG GLN 60 0.146 -10.321 -3.001 478 HE21 GLN 60 1HE2 GLN 60 1.405 -12.107 -3.466 479 HE22 GLN 60 2HE2 GLN 60 1.881 -13.284 -2.292 480 H LYS 61 H LYS 61 3.069 -8.635 -1.280 481 HA LYS 61 HA LYS 61 2.684 -6.522 -3.217 482 HB2 LYS 61 2HB LYS 61 5.163 -8.213 -2.650 483 HB3 LYS 61 3HB LYS 61 5.118 -6.724 -3.599 484 HG2 LYS 61 2HG LYS 61 4.501 -5.457 -1.573 485 HG3 LYS 61 3HG LYS 61 4.523 -6.949 -0.622 486 HD2 LYS 61 2HD LYS 61 6.944 -7.224 -1.170 487 HD3 LYS 61 3HD LYS 61 6.907 -5.703 -2.067 488 HE2 LYS 61 2HE LYS 61 6.351 -4.505 0.027 489 HE3 LYS 61 3HE LYS 61 6.405 -6.034 0.913 490 HZ1 LYS 61 3HZ LYS 61 8.471 -4.792 1.125 491 HZ2 LYS 61 1HZ LYS 61 8.685 -4.809 -0.548 492 HZ3 LYS 61 2HZ LYS 61 8.732 -6.253 0.327 493 H GLN 62 H GLN 62 2.165 -6.866 -5.302 494 HA GLN 62 HA GLN 62 2.734 -9.419 -6.650 495 HB2 GLN 62 2HB GLN 62 0.437 -9.637 -5.777 496 HB3 GLN 62 3HB GLN 62 -0.005 -8.068 -6.450 497 HG2 GLN 62 2HG GLN 62 0.315 -8.970 -8.741 498 HG3 GLN 62 3HG GLN 62 0.738 -10.540 -8.061 499 HE21 GLN 62 1HE2 GLN 62 -0.902 -11.810 -7.116 500 HE22 GLN 62 2HE2 GLN 62 -2.573 -11.495 -7.399 501 H TRP 63 H TRP 63 4.066 -8.666 -8.227 502 HA TRP 63 HA TRP 63 3.637 -6.155 -9.597 503 HB2 TRP 63 2HB TRP 63 5.592 -8.430 -10.132 504 HB3 TRP 63 3HB TRP 63 5.557 -6.925 -11.051 505 HD1 TRP 63 HD1 TRP 63 6.392 -8.230 -7.504 506 HE1 TRP 63 HE1 TRP 63 7.878 -6.496 -6.338 507 HE3 TRP 63 HE3 TRP 63 6.200 -4.479 -11.005 508 HZ2 TRP 63 HZ2 TRP 63 8.839 -3.895 -6.808 509 HZ3 TRP 63 HZ3 TRP 63 7.431 -2.391 -10.553 510 HH2 TRP 63 HH2 TRP 63 8.724 -2.112 -8.493 511 H GLN 64 H GLN 64 2.250 -5.888 -11.175 512 HA GLN 64 HA GLN 64 1.357 -8.137 -12.873 513 HB2 GLN 64 2HB GLN 64 -0.538 -7.378 -11.515 514 HB3 GLN 64 3HB GLN 64 -0.220 -5.692 -11.922 515 HG2 GLN 64 2HG GLN 64 -0.750 -6.205 -14.311 516 HG3 GLN 64 3HG GLN 64 -1.128 -7.862 -13.848 517 HE21 GLN 64 1HE2 GLN 64 -2.033 -5.064 -11.897 518 HE22 GLN 64 2HE2 GLN 64 -3.724 -5.188 -12.205 519 H GLY 65 H GLY 65 2.491 -7.899 -14.713 520 HA2 GLY 65 2HA GLY 65 3.304 -7.010 -16.664 521 HA3 GLY 65 3HA GLY 65 2.377 -5.549 -16.366 522 H ASN 66 H ASN 66 3.273 -3.963 -14.873 523 HA ASN 66 HA ASN 66 5.992 -4.182 -13.916 524 HB2 ASN 66 2HB ASN 66 6.020 -3.464 -16.485 525 HB3 ASN 66 3HB ASN 66 5.554 -1.883 -15.869 526 HD21 ASN 66 1HD2 ASN 66 8.033 -2.906 -17.211 527 HD22 ASN 66 2HD2 ASN 66 9.334 -2.441 -16.174 528 H LYS 67 H LYS 67 3.208 -3.684 -12.999 529 HA LYS 67 HA LYS 67 3.666 -1.191 -11.437 530 HB2 LYS 67 2HB LYS 67 1.074 -2.637 -12.125 531 HB3 LYS 67 3HB LYS 67 1.161 -1.367 -10.917 532 HG2 LYS 67 2HG LYS 67 1.885 -0.946 -13.829 533 HG3 LYS 67 3HG LYS 67 0.261 -0.716 -13.185 534 HD2 LYS 67 2HD LYS 67 1.104 1.454 -13.161 535 HD3 LYS 67 3HD LYS 67 1.401 0.939 -11.500 536 HE2 LYS 67 2HE LYS 67 3.321 2.166 -12.398 537 HE3 LYS 67 3HE LYS 67 3.774 0.490 -12.099 538 HZ1 LYS 67 3HZ LYS 67 4.624 1.213 -14.217 539 HZ2 LYS 67 1HZ LYS 67 3.084 1.673 -14.733 540 HZ3 LYS 67 2HZ LYS 67 3.435 0.041 -14.478 541 H LEU 68 H LEU 68 3.753 -1.371 -9.190 542 HA LEU 68 HA LEU 68 3.657 -4.059 -8.035 543 HB2 LEU 68 2HB LEU 68 5.570 -2.666 -7.431 544 HB3 LEU 68 3HB LEU 68 4.501 -1.401 -6.845 545 HG LEU 68 HG LEU 68 3.719 -2.861 -5.003 546 HD11 LEU 68 1HD1 LEU 68 5.665 -4.932 -6.057 547 HD12 LEU 68 2HD1 LEU 68 3.904 -5.043 -6.070 548 HD13 LEU 68 3HD1 LEU 68 4.769 -5.028 -4.537 549 HD21 LEU 68 3HD2 LEU 68 5.649 -1.412 -4.631 550 HD22 LEU 68 1HD2 LEU 68 6.737 -2.712 -5.130 551 HD23 LEU 68 2HD2 LEU 68 5.751 -2.887 -3.673 552 H ARG 69 H ARG 69 1.679 -4.677 -7.648 553 HA ARG 69 HA ARG 69 -0.364 -2.944 -6.445 554 HB2 ARG 69 2HB ARG 69 -1.030 -4.206 -8.413 555 HB3 ARG 69 3HB ARG 69 -0.420 -5.708 -7.730 556 HG2 ARG 69 2HG ARG 69 -2.209 -5.732 -6.074 557 HG3 ARG 69 3HG ARG 69 -2.772 -4.145 -6.615 558 HD2 ARG 69 2HD ARG 69 -2.734 -6.664 -8.317 559 HD3 ARG 69 3HD ARG 69 -4.160 -6.004 -7.510 560 HE ARG 69 HE ARG 69 -2.666 -4.429 -9.518 561 HH11 ARG 69 1HH1 ARG 69 -5.712 -5.851 -8.472 562 HH12 ARG 69 2HH1 ARG 69 -6.636 -5.060 -9.709 563 HH21 ARG 69 1HH2 ARG 69 -3.888 -3.356 -11.096 564 HH22 ARG 69 2HH2 ARG 69 -5.602 -3.639 -11.204 565 H ILE 70 H ILE 70 -0.173 -2.860 -4.262 566 HA ILE 70 HA ILE 70 0.411 -5.339 -2.741 567 HB ILE 70 HB ILE 70 0.707 -2.446 -1.792 568 HG12 ILE 70 2HG1 ILE 70 2.786 -4.631 -2.320 569 HG13 ILE 70 3HG1 ILE 70 2.576 -3.137 -3.229 570 HG21 ILE 70 1HG2 ILE 70 1.159 -5.026 -0.221 571 HG22 ILE 70 2HG2 ILE 70 -0.139 -3.863 0.046 572 HG23 ILE 70 3HG2 ILE 70 1.531 -3.397 0.356 573 HD11 ILE 70 3HD1 ILE 70 4.508 -2.999 -1.790 574 HD12 ILE 70 1HD1 ILE 70 3.531 -3.361 -0.366 575 HD13 ILE 70 2HD1 ILE 70 3.284 -1.852 -1.252 576 H ARG 71 H ARG 71 -1.385 -6.279 -2.018 577 HA ARG 71 HA ARG 71 -3.749 -4.660 -1.346 578 HB2 ARG 71 2HB ARG 71 -4.250 -6.642 -2.701 579 HB3 ARG 71 3HB ARG 71 -3.446 -7.690 -1.533 580 HG2 ARG 71 2HG ARG 71 -5.151 -7.086 0.173 581 HG3 ARG 71 3HG ARG 71 -5.956 -6.045 -1.000 582 HD2 ARG 71 2HD ARG 71 -6.612 -7.931 -2.329 583 HD3 ARG 71 3HD ARG 71 -5.575 -9.025 -1.408 584 HE ARG 71 HE ARG 71 -8.050 -7.744 -0.393 585 HH11 ARG 71 1HH1 ARG 71 -5.736 -10.399 -0.250 586 HH12 ARG 71 2HH1 ARG 71 -6.635 -11.284 0.935 587 HH21 ARG 71 1HH2 ARG 71 -9.196 -8.924 1.200 588 HH22 ARG 71 2HH2 ARG 71 -8.594 -10.448 1.752 589 H LEU 72 H LEU 72 -4.271 -4.232 0.664 590 HA LEU 72 HA LEU 72 -2.823 -5.432 2.934 591 HB2 LEU 72 2HB LEU 72 -4.440 -2.852 2.751 592 HB3 LEU 72 3HB LEU 72 -3.665 -3.458 4.212 593 HG LEU 72 HG LEU 72 -2.287 -2.441 1.691 594 HD11 LEU 72 1HD1 LEU 72 -1.381 -0.723 3.177 595 HD12 LEU 72 2HD1 LEU 72 -2.317 -1.380 4.523 596 HD13 LEU 72 3HD1 LEU 72 -3.139 -0.689 3.120 597 HD21 LEU 72 3HD2 LEU 72 -0.993 -3.644 4.162 598 HD22 LEU 72 1HD2 LEU 72 -0.145 -2.831 2.839 599 HD23 LEU 72 2HD2 LEU 72 -1.004 -4.337 2.538 600 H LYS 73 H LYS 73 -3.940 -6.808 4.124 601 HA LYS 73 HA LYS 73 -6.837 -7.183 3.587 602 HB2 LYS 73 2HB LYS 73 -6.342 -9.601 4.224 603 HB3 LYS 73 3HB LYS 73 -5.612 -9.037 2.720 604 HG2 LYS 73 2HG LYS 73 -3.477 -8.607 4.111 605 HG3 LYS 73 3HG LYS 73 -4.251 -9.541 5.386 606 HD2 LYS 73 2HD LYS 73 -2.836 -11.052 4.210 607 HD3 LYS 73 3HD LYS 73 -4.490 -11.438 3.716 608 HE2 LYS 73 2HE LYS 73 -4.179 -10.207 1.617 609 HE3 LYS 73 3HE LYS 73 -2.579 -9.678 2.139 610 HZ1 LYS 73 3HZ LYS 73 -3.386 -12.493 1.637 611 HZ2 LYS 73 1HZ LYS 73 -1.847 -11.982 2.106 612 HZ3 LYS 73 2HZ LYS 73 -2.459 -11.541 0.593 613 H GLY 74 H GLY 74 -8.050 -6.553 5.265 614 HA2 GLY 74 2HA GLY 74 -6.660 -5.813 7.766 615 HA3 GLY 74 3HA GLY 74 -8.035 -4.981 7.067 616 H SER 75 H SER 75 -8.345 -8.410 7.015 617 HA SER 75 HA SER 75 -9.380 -8.749 9.678 618 HB2 SER 75 2HB SER 75 -11.752 -9.304 8.869 619 HB3 SER 75 3HB SER 75 -11.317 -7.596 8.865 620 HG SER 75 HG SER 75 -10.708 -8.050 6.556 621 H LEU 76 H LEU 76 -7.842 -10.434 9.675 622 HA LEU 76 HA LEU 76 -8.707 -12.959 8.356 623 HB2 LEU 76 2HB LEU 76 -5.865 -12.271 9.250 624 HB3 LEU 76 3HB LEU 76 -6.373 -13.782 8.533 625 HG LEU 76 HG LEU 76 -5.147 -12.608 6.871 626 HD11 LEU 76 1HD1 LEU 76 -8.073 -12.249 6.191 627 HD12 LEU 76 2HD1 LEU 76 -7.119 -13.722 5.986 628 HD13 LEU 76 3HD1 LEU 76 -6.723 -12.283 5.050 629 HD21 LEU 76 3HD2 LEU 76 -6.847 -10.178 7.447 630 HD22 LEU 76 1HD2 LEU 76 -5.659 -10.314 6.157 631 HD23 LEU 76 2HD2 LEU 76 -5.141 -10.405 7.833 632 H GLU 77 H GLU 77 -7.434 -14.811 9.803 633 HA GLU 77 HA GLU 77 -8.200 -14.572 12.592 634 HB2 GLU 77 2HB GLU 77 -6.649 -16.755 11.129 635 HB3 GLU 77 3HB GLU 77 -7.285 -16.879 12.769 636 HG2 GLU 77 2HG GLU 77 -8.937 -16.610 10.224 637 HG3 GLU 77 3HG GLU 77 -8.679 -18.094 11.139 638 H HIS 78 H HIS 78 -6.585 -12.494 12.102 639 HA HIS 78 HA HIS 78 -3.798 -12.839 12.565 640 HB2 HIS 78 2HB HIS 78 -3.737 -10.416 12.927 641 HB3 HIS 78 3HB HIS 78 -4.801 -10.745 11.578 642 HD1 HIS 78 HD1 HIS 78 -4.661 -8.928 14.707 643 HD2 HIS 78 HD2 HIS 78 -7.674 -10.553 12.363 644 HE1 HIS 78 HE1 HIS 78 -6.778 -7.864 15.509 645 HE2 HIS 78 HE2 HIS 78 -8.543 -8.694 13.914 646 H HIS 79 H HIS 79 -2.669 -12.897 14.537 647 HA HIS 79 HA HIS 79 -4.004 -14.272 16.587 648 HB2 HIS 79 2HB HIS 79 -1.845 -14.184 17.841 649 HB3 HIS 79 3HB HIS 79 -1.665 -14.728 16.187 650 HD1 HIS 79 HD1 HIS 79 -0.432 -13.117 14.522 651 HD2 HIS 79 HD2 HIS 79 -0.412 -11.864 18.487 652 HE1 HIS 79 HE1 HIS 79 1.338 -11.346 14.673 653 HE2 HIS 79 HE2 HIS 79 1.252 -10.535 17.048 654 H HIS 80 H HIS 80 -5.506 -13.400 17.843 655 HA HIS 80 HA HIS 80 -5.669 -10.704 18.661 656 HB2 HIS 80 2HB HIS 80 -7.429 -11.462 20.262 657 HB3 HIS 80 3HB HIS 80 -7.678 -12.108 18.653 658 HD1 HIS 80 HD1 HIS 80 -7.708 -14.642 18.373 659 HD2 HIS 80 HD2 HIS 80 -6.673 -13.442 22.219 660 HE1 HIS 80 HE1 HIS 80 -7.797 -16.717 19.783 661 HE2 HIS 80 HE2 HIS 80 -7.432 -15.904 22.129 662 H HIS 81 H HIS 81 -5.041 -9.671 20.538 663 HA HIS 81 HA HIS 81 -2.548 -10.343 21.563 664 HB2 HIS 81 2HB HIS 81 -2.838 -8.442 23.137 665 HB3 HIS 81 3HB HIS 81 -3.306 -8.032 21.501 666 HD1 HIS 81 HD1 HIS 81 -4.524 -7.962 24.928 667 HD2 HIS 81 HD2 HIS 81 -6.213 -7.929 21.142 668 HE1 HIS 81 HE1 HIS 81 -6.883 -7.186 25.251 669 HE2 HIS 81 HE2 HIS 81 -7.936 -7.417 22.981 670 H HIS 82 H HIS 82 -2.027 -11.948 22.832 671 HA HIS 82 HA HIS 82 -3.717 -12.918 25.036 672 HB2 HIS 82 2HB HIS 82 -1.162 -13.983 23.731 673 HB3 HIS 82 3HB HIS 82 -1.832 -14.680 25.202 674 HD1 HIS 82 HD1 HIS 82 -4.119 -15.931 25.009 675 HD2 HIS 82 HD2 HIS 82 -2.516 -14.711 21.374 676 HE1 HIS 82 HE1 HIS 82 -5.387 -17.194 23.252 677 HE2 HIS 82 HE2 HIS 82 -4.340 -16.506 21.073 678 H HIS 83 H HIS 83 -2.698 -10.332 25.204 679 HA HIS 83 HA HIS 83 -1.213 -10.327 27.675 680 HB2 HIS 83 2HB HIS 83 0.658 -10.319 26.058 681 HB3 HIS 83 3HB HIS 83 -0.088 -9.013 25.140 682 HD1 HIS 83 HD1 HIS 83 1.566 -9.657 28.494 683 HD2 HIS 83 HD2 HIS 83 0.559 -6.474 26.030 684 HE1 HIS 83 HE1 HIS 83 2.607 -7.632 29.538 685 HE2 HIS 83 HE2 HIS 83 1.862 -5.708 28.106 Start of MODEL 15 1 H1 MET 1 1H MET 1 -20.210 -5.915 3.949 2 H2 MET 1 2H MET 1 -21.891 -6.075 3.961 3 H3 MET 1 3H MET 1 -21.144 -4.923 4.943 4 HA MET 1 HA MET 1 -21.139 -4.935 1.990 5 HB2 MET 1 2HB MET 1 -22.662 -3.183 3.967 6 HB3 MET 1 3HB MET 1 -22.585 -2.881 2.233 7 HG2 MET 1 2HG MET 1 -23.716 -5.017 1.805 8 HG3 MET 1 3HG MET 1 -23.770 -5.342 3.537 9 HE1 MET 1 3HE MET 1 -27.548 -4.607 2.712 10 HE2 MET 1 1HE MET 1 -26.425 -5.759 3.427 11 HE3 MET 1 2HE MET 1 -26.400 -5.468 1.686 12 H GLY 2 H GLY 2 -19.905 -3.335 1.014 13 HA2 GLY 2 2HA GLY 2 -18.253 -1.638 0.932 14 HA3 GLY 2 3HA GLY 2 -18.044 -1.753 2.677 15 H LEU 3 H LEU 3 -16.854 -2.811 -0.372 16 HA LEU 3 HA LEU 3 -15.389 -5.090 0.835 17 HB2 LEU 3 2HB LEU 3 -15.516 -6.169 -1.424 18 HB3 LEU 3 3HB LEU 3 -17.061 -5.961 -0.628 19 HG LEU 3 HG LEU 3 -17.261 -3.789 -2.165 20 HD11 LEU 3 1HD1 LEU 3 -14.985 -3.858 -3.090 21 HD12 LEU 3 2HD1 LEU 3 -16.200 -3.996 -4.360 22 HD13 LEU 3 3HD1 LEU 3 -15.322 -5.430 -3.820 23 HD21 LEU 3 3HD2 LEU 3 -18.775 -5.708 -2.293 24 HD22 LEU 3 1HD2 LEU 3 -17.622 -6.573 -3.312 25 HD23 LEU 3 2HD2 LEU 3 -18.397 -5.099 -3.904 26 H THR 4 H THR 4 -13.661 -5.651 -1.247 27 HA THR 4 HA THR 4 -11.603 -3.687 -0.744 28 HB THR 4 HB THR 4 -11.479 -6.276 -2.359 29 HG1 THR 4 HG1 THR 4 -11.315 -5.719 0.407 30 HG21 THR 4 3HG2 THR 4 -9.248 -4.725 -0.980 31 HG22 THR 4 1HG2 THR 4 -9.517 -4.794 -2.737 32 HG23 THR 4 2HG2 THR 4 -9.070 -6.246 -1.849 33 H ARG 5 H ARG 5 -12.460 -1.862 -2.021 34 HA ARG 5 HA ARG 5 -12.366 -1.906 -4.882 35 HB2 ARG 5 2HB ARG 5 -12.154 0.589 -4.740 36 HB3 ARG 5 3HB ARG 5 -13.500 -0.046 -3.801 37 HG2 ARG 5 2HG ARG 5 -12.232 0.221 -1.731 38 HG3 ARG 5 3HG ARG 5 -10.817 0.757 -2.639 39 HD2 ARG 5 2HD ARG 5 -13.480 2.222 -2.593 40 HD3 ARG 5 3HD ARG 5 -12.097 2.622 -1.569 41 HE ARG 5 HE ARG 5 -11.514 2.586 -4.396 42 HH11 ARG 5 1HH1 ARG 5 -12.639 4.671 -1.777 43 HH12 ARG 5 2HH1 ARG 5 -12.182 6.127 -2.602 44 HH21 ARG 5 1HH2 ARG 5 -10.894 4.488 -5.422 45 HH22 ARG 5 2HH2 ARG 5 -11.191 6.027 -4.667 46 H THR 6 H THR 6 -10.701 -0.713 -6.182 47 HA THR 6 HA THR 6 -7.963 -1.289 -5.214 48 HB THR 6 HB THR 6 -8.967 -1.730 -8.066 49 HG1 THR 6 HG1 THR 6 -8.177 -3.787 -6.278 50 HG21 THR 6 3HG2 THR 6 -6.315 -2.448 -6.748 51 HG22 THR 6 1HG2 THR 6 -6.559 -1.175 -7.958 52 HG23 THR 6 2HG2 THR 6 -6.788 -2.868 -8.394 53 H ILE 7 H ILE 7 -7.131 0.660 -4.886 54 HA ILE 7 HA ILE 7 -7.859 3.005 -6.493 55 HB ILE 7 HB ILE 7 -6.152 2.747 -3.965 56 HG12 ILE 7 2HG1 ILE 7 -9.040 3.684 -4.256 57 HG13 ILE 7 3HG1 ILE 7 -8.547 2.119 -3.622 58 HG21 ILE 7 1HG2 ILE 7 -6.367 5.196 -3.751 59 HG22 ILE 7 2HG2 ILE 7 -7.232 5.265 -5.288 60 HG23 ILE 7 3HG2 ILE 7 -5.540 4.760 -5.248 61 HD11 ILE 7 3HD1 ILE 7 -7.447 3.231 -1.743 62 HD12 ILE 7 1HD1 ILE 7 -9.163 3.626 -1.849 63 HD13 ILE 7 2HD1 ILE 7 -7.956 4.803 -2.373 64 H THR 8 H THR 8 -6.505 3.679 -8.149 65 HA THR 8 HA THR 8 -3.661 2.831 -8.117 66 HB THR 8 HB THR 8 -3.656 3.272 -10.580 67 HG1 THR 8 HG1 THR 8 -5.290 4.713 -10.906 68 HG21 THR 8 3HG2 THR 8 -4.100 0.985 -9.800 69 HG22 THR 8 1HG2 THR 8 -5.026 1.329 -11.267 70 HG23 THR 8 2HG2 THR 8 -5.826 1.344 -9.696 71 H SER 9 H SER 9 -2.406 4.375 -7.323 72 HA SER 9 HA SER 9 -2.710 7.184 -8.167 73 HB2 SER 9 2HB SER 9 -3.670 7.039 -5.892 74 HB3 SER 9 3HB SER 9 -2.203 6.264 -5.304 75 HG SER 9 HG SER 9 -2.668 8.781 -5.282 76 H GLN 10 H GLN 10 -0.759 8.414 -7.897 77 HA GLN 10 HA GLN 10 1.750 6.850 -8.168 78 HB2 GLN 10 2HB GLN 10 0.934 9.564 -9.299 79 HB3 GLN 10 3HB GLN 10 2.545 8.862 -9.471 80 HG2 GLN 10 2HG GLN 10 1.721 7.067 -10.826 81 HG3 GLN 10 3HG GLN 10 0.045 7.471 -10.467 82 HE21 GLN 10 1HE2 GLN 10 -0.938 9.172 -11.558 83 HE22 GLN 10 2HE2 GLN 10 -0.231 9.920 -12.948 84 H ASN 11 H ASN 11 0.141 8.403 -5.865 85 HA ASN 11 HA ASN 11 2.614 9.293 -4.489 86 HB2 ASN 11 2HB ASN 11 1.058 11.183 -4.727 87 HB3 ASN 11 3HB ASN 11 -0.266 10.221 -4.073 88 HD21 ASN 11 1HD2 ASN 11 -0.637 11.702 -2.364 89 HD22 ASN 11 2HD2 ASN 11 0.463 11.877 -1.035 90 H LYS 12 H LYS 12 3.248 7.779 -3.110 91 HA LYS 12 HA LYS 12 1.649 5.584 -2.282 92 HB2 LYS 12 2HB LYS 12 3.645 4.890 -0.937 93 HB3 LYS 12 3HB LYS 12 3.995 5.221 -2.622 94 HG2 LYS 12 2HG LYS 12 5.823 6.199 -1.629 95 HG3 LYS 12 3HG LYS 12 4.739 7.587 -1.727 96 HD2 LYS 12 2HD LYS 12 4.092 7.197 0.664 97 HD3 LYS 12 3HD LYS 12 5.249 5.863 0.735 98 HE2 LYS 12 2HE LYS 12 7.086 7.456 0.248 99 HE3 LYS 12 3HE LYS 12 5.912 8.772 0.198 100 HZ1 LYS 12 3HZ LYS 12 6.492 7.075 2.555 101 HZ2 LYS 12 1HZ LYS 12 5.389 8.344 2.508 102 HZ3 LYS 12 2HZ LYS 12 7.036 8.651 2.325 103 H GLU 13 H GLU 13 2.282 8.716 -0.848 104 HA GLU 13 HA GLU 13 1.906 8.159 1.884 105 HB2 GLU 13 2HB GLU 13 1.274 10.723 0.355 106 HB3 GLU 13 3HB GLU 13 1.419 10.591 2.109 107 HG2 GLU 13 2HG GLU 13 3.794 10.000 1.881 108 HG3 GLU 13 3HG GLU 13 3.651 10.080 0.123 109 H GLU 14 H GLU 14 -0.464 9.526 -0.463 110 HA GLU 14 HA GLU 14 -2.676 9.478 1.262 111 HB2 GLU 14 2HB GLU 14 -4.045 9.863 -0.765 112 HB3 GLU 14 3HB GLU 14 -2.627 10.903 -0.709 113 HG2 GLU 14 2HG GLU 14 -1.482 9.342 -2.305 114 HG3 GLU 14 3HG GLU 14 -2.991 8.435 -2.429 115 H LEU 15 H LEU 15 -1.333 7.001 -0.850 116 HA LEU 15 HA LEU 15 -3.462 5.141 -0.771 117 HB2 LEU 15 2HB LEU 15 -0.465 4.721 -1.112 118 HB3 LEU 15 3HB LEU 15 -1.649 3.435 -1.308 119 HG LEU 15 HG LEU 15 -1.478 5.951 -3.027 120 HD11 LEU 15 1HD1 LEU 15 -0.777 3.082 -3.721 121 HD12 LEU 15 2HD1 LEU 15 0.367 4.408 -3.493 122 HD13 LEU 15 3HD1 LEU 15 -0.770 4.453 -4.840 123 HD21 LEU 15 3HD2 LEU 15 -3.200 4.898 -4.425 124 HD22 LEU 15 1HD2 LEU 15 -3.795 5.182 -2.793 125 HD23 LEU 15 2HD2 LEU 15 -3.323 3.557 -3.287 126 H LEU 16 H LEU 16 -0.818 5.829 1.458 127 HA LEU 16 HA LEU 16 -1.136 3.574 3.200 128 HB2 LEU 16 2HB LEU 16 0.058 6.314 3.766 129 HB3 LEU 16 3HB LEU 16 0.221 4.917 4.823 130 HG LEU 16 HG LEU 16 1.278 4.968 1.977 131 HD11 LEU 16 1HD1 LEU 16 3.475 5.428 2.898 132 HD12 LEU 16 2HD1 LEU 16 2.799 5.547 4.526 133 HD13 LEU 16 3HD1 LEU 16 2.357 6.733 3.292 134 HD21 LEU 16 3HD2 LEU 16 2.614 3.060 2.679 135 HD22 LEU 16 1HD2 LEU 16 0.901 2.724 2.922 136 HD23 LEU 16 2HD2 LEU 16 1.923 3.133 4.302 137 H GLU 17 H GLU 17 -2.279 6.911 3.267 138 HA GLU 17 HA GLU 17 -3.480 6.867 5.841 139 HB2 GLU 17 2HB GLU 17 -3.937 8.739 3.483 140 HB3 GLU 17 3HB GLU 17 -4.403 9.068 5.155 141 HG2 GLU 17 2HG GLU 17 -2.018 9.030 5.830 142 HG3 GLU 17 3HG GLU 17 -1.549 8.679 4.167 143 H ILE 18 H ILE 18 -4.835 6.497 2.564 144 HA ILE 18 HA ILE 18 -7.546 6.130 3.447 145 HB ILE 18 HB ILE 18 -6.318 5.421 0.737 146 HG12 ILE 18 2HG1 ILE 18 -7.827 7.955 1.564 147 HG13 ILE 18 3HG1 ILE 18 -6.082 7.852 1.363 148 HG21 ILE 18 1HG2 ILE 18 -8.467 4.261 1.098 149 HG22 ILE 18 2HG2 ILE 18 -8.659 5.528 -0.114 150 HG23 ILE 18 3HG2 ILE 18 -9.237 5.790 1.532 151 HD11 ILE 18 3HD1 ILE 18 -7.140 8.885 -0.554 152 HD12 ILE 18 1HD1 ILE 18 -8.121 7.443 -0.822 153 HD13 ILE 18 2HD1 ILE 18 -6.365 7.368 -1.003 154 H ALA 19 H ALA 19 -4.809 3.954 2.736 155 HA ALA 19 HA ALA 19 -6.134 1.495 3.032 156 HB1 ALA 19 3HB ALA 19 -3.952 0.553 3.624 157 HB2 ALA 19 1HB ALA 19 -3.292 2.177 3.837 158 HB3 ALA 19 2HB ALA 19 -3.824 1.639 2.241 159 H LEU 20 H LEU 20 -4.573 3.552 5.432 160 HA LEU 20 HA LEU 20 -4.823 1.989 7.713 161 HB2 LEU 20 2HB LEU 20 -3.348 3.940 7.509 162 HB3 LEU 20 3HB LEU 20 -4.733 5.012 7.397 163 HG LEU 20 HG LEU 20 -5.329 4.507 9.762 164 HD11 LEU 20 1HD1 LEU 20 -3.820 3.254 11.216 165 HD12 LEU 20 2HD1 LEU 20 -2.803 2.836 9.836 166 HD13 LEU 20 3HD1 LEU 20 -4.458 2.227 9.933 167 HD21 LEU 20 3HD2 LEU 20 -2.449 5.407 9.439 168 HD22 LEU 20 1HD2 LEU 20 -3.486 5.707 10.838 169 HD23 LEU 20 2HD2 LEU 20 -3.881 6.431 9.280 170 H LYS 21 H LYS 21 -7.079 4.388 6.356 171 HA LYS 21 HA LYS 21 -8.930 4.278 8.534 172 HB2 LYS 21 2HB LYS 21 -10.403 5.652 7.212 173 HB3 LYS 21 3HB LYS 21 -8.757 6.232 6.986 174 HG2 LYS 21 2HG LYS 21 -8.649 5.077 4.820 175 HG3 LYS 21 3HG LYS 21 -10.307 4.509 5.025 176 HD2 LYS 21 2HD LYS 21 -9.424 7.420 4.812 177 HD3 LYS 21 3HD LYS 21 -10.176 6.474 3.528 178 HE2 LYS 21 2HE LYS 21 -12.219 6.236 4.961 179 HE3 LYS 21 3HE LYS 21 -11.462 7.285 6.161 180 HZ1 LYS 21 3HZ LYS 21 -12.094 8.055 3.359 181 HZ2 LYS 21 1HZ LYS 21 -11.389 9.055 4.518 182 HZ3 LYS 21 2HZ LYS 21 -12.975 8.514 4.725 183 H PHE 22 H PHE 22 -8.584 2.388 5.552 184 HA PHE 22 HA PHE 22 -11.145 1.077 5.767 185 HB2 PHE 22 2HB PHE 22 -8.698 0.672 4.046 186 HB3 PHE 22 3HB PHE 22 -9.798 -0.691 4.216 187 HD1 PHE 22 HD1 PHE 22 -9.844 2.980 3.354 188 HD2 PHE 22 HD2 PHE 22 -11.630 -0.860 2.727 189 HE1 PHE 22 HE1 PHE 22 -11.282 3.932 1.597 190 HE2 PHE 22 HE2 PHE 22 -13.063 0.108 0.972 191 HZ PHE 22 HZ PHE 22 -12.890 2.499 0.407 192 H ILE 23 H ILE 23 -7.836 0.347 6.860 193 HA ILE 23 HA ILE 23 -8.388 -2.280 7.844 194 HB ILE 23 HB ILE 23 -6.161 -0.420 8.810 195 HG12 ILE 23 2HG1 ILE 23 -5.989 -0.541 6.362 196 HG13 ILE 23 3HG1 ILE 23 -4.676 -1.445 7.090 197 HG21 ILE 23 1HG2 ILE 23 -6.350 -3.455 8.799 198 HG22 ILE 23 2HG2 ILE 23 -6.451 -2.403 10.214 199 HG23 ILE 23 3HG2 ILE 23 -4.943 -2.518 9.307 200 HD11 ILE 23 3HD1 ILE 23 -5.573 -2.528 5.116 201 HD12 ILE 23 1HD1 ILE 23 -7.164 -2.638 5.864 202 HD13 ILE 23 2HD1 ILE 23 -5.800 -3.535 6.544 203 H SER 24 H SER 24 -8.479 0.972 9.228 204 HA SER 24 HA SER 24 -9.054 0.428 11.918 205 HB2 SER 24 2HB SER 24 -8.430 2.665 11.037 206 HB3 SER 24 3HB SER 24 -9.984 2.786 10.218 207 HG SER 24 HG SER 24 -9.946 2.280 12.973 208 H GLN 25 H GLN 25 -11.145 0.396 9.089 209 HA GLN 25 HA GLN 25 -13.623 0.034 10.579 210 HB2 GLN 25 2HB GLN 25 -13.004 -0.164 7.597 211 HB3 GLN 25 3HB GLN 25 -14.620 -0.287 8.294 212 HG2 GLN 25 2HG GLN 25 -14.537 2.015 9.045 213 HG3 GLN 25 3HG GLN 25 -12.849 2.161 8.554 214 HE21 GLN 25 1HE2 GLN 25 -12.355 2.330 6.331 215 HE22 GLN 25 2HE2 GLN 25 -13.554 2.718 5.149 216 H GLY 26 H GLY 26 -11.038 -1.932 9.491 217 HA2 GLY 26 2HA GLY 26 -10.686 -4.213 9.738 218 HA3 GLY 26 3HA GLY 26 -12.371 -4.425 10.192 219 H LEU 27 H LEU 27 -11.406 -2.711 7.341 220 HA LEU 27 HA LEU 27 -12.537 -4.768 5.557 221 HB2 LEU 27 2HB LEU 27 -12.004 -1.801 5.059 222 HB3 LEU 27 3HB LEU 27 -12.737 -2.910 3.908 223 HG LEU 27 HG LEU 27 -13.971 -2.058 6.559 224 HD11 LEU 27 1HD1 LEU 27 -15.580 -0.806 5.177 225 HD12 LEU 27 2HD1 LEU 27 -14.671 -1.232 3.722 226 HD13 LEU 27 3HD1 LEU 27 -13.931 -0.213 4.965 227 HD21 LEU 27 3HD2 LEU 27 -16.010 -3.197 5.739 228 HD22 LEU 27 1HD2 LEU 27 -14.669 -4.319 5.967 229 HD23 LEU 27 2HD2 LEU 27 -15.110 -3.792 4.340 230 H ASP 28 H ASP 28 -11.335 -5.490 3.814 231 HA ASP 28 HA ASP 28 -8.491 -5.004 3.657 232 HB2 ASP 28 2HB ASP 28 -10.410 -6.535 1.844 233 HB3 ASP 28 3HB ASP 28 -8.690 -6.382 1.507 234 H LEU 29 H LEU 29 -7.455 -3.944 1.915 235 HA LEU 29 HA LEU 29 -9.045 -2.453 -0.029 236 HB2 LEU 29 2HB LEU 29 -8.740 -0.818 1.826 237 HB3 LEU 29 3HB LEU 29 -7.000 -1.069 1.773 238 HG LEU 29 HG LEU 29 -6.956 -0.159 -0.570 239 HD11 LEU 29 1HD1 LEU 29 -8.899 1.001 -1.482 240 HD12 LEU 29 2HD1 LEU 29 -9.878 0.466 -0.112 241 HD13 LEU 29 3HD1 LEU 29 -9.225 -0.717 -1.251 242 HD21 LEU 29 3HD2 LEU 29 -8.175 1.717 1.458 243 HD22 LEU 29 1HD2 LEU 29 -7.333 2.198 -0.020 244 HD23 LEU 29 2HD2 LEU 29 -6.461 1.349 1.251 245 H GLU 30 H GLU 30 -8.088 -2.603 -1.977 246 HA GLU 30 HA GLU 30 -5.246 -3.419 -2.123 247 HB2 GLU 30 2HB GLU 30 -6.986 -4.875 -3.220 248 HB3 GLU 30 3HB GLU 30 -7.393 -3.531 -4.285 249 HG2 GLU 30 2HG GLU 30 -5.214 -3.584 -5.321 250 HG3 GLU 30 3HG GLU 30 -4.600 -4.711 -4.111 251 H VAL 31 H VAL 31 -3.824 -2.013 -2.903 252 HA VAL 31 HA VAL 31 -4.675 0.441 -4.334 253 HB VAL 31 HB VAL 31 -2.825 1.673 -3.042 254 HG11 VAL 31 1HG1 VAL 31 -5.236 0.753 -1.431 255 HG12 VAL 31 2HG1 VAL 31 -5.184 2.118 -2.555 256 HG13 VAL 31 3HG1 VAL 31 -4.233 2.165 -1.068 257 HG21 VAL 31 3HG2 VAL 31 -3.028 -0.720 -1.176 258 HG22 VAL 31 1HG2 VAL 31 -2.190 0.792 -0.817 259 HG23 VAL 31 2HG2 VAL 31 -1.617 -0.243 -2.124 260 H GLU 32 H GLU 32 -2.972 1.357 -5.621 261 HA GLU 32 HA GLU 32 -0.794 -0.460 -6.389 262 HB2 GLU 32 2HB GLU 32 -2.748 -0.943 -7.869 263 HB3 GLU 32 3HB GLU 32 -2.801 0.749 -8.354 264 HG2 GLU 32 2HG GLU 32 -0.598 0.553 -9.428 265 HG3 GLU 32 3HG GLU 32 -0.436 -1.105 -8.847 266 H PHE 33 H PHE 33 1.002 0.671 -6.441 267 HA PHE 33 HA PHE 33 1.023 3.578 -6.804 268 HB2 PHE 33 2HB PHE 33 2.263 2.481 -4.897 269 HB3 PHE 33 3HB PHE 33 3.282 1.659 -6.071 270 HD1 PHE 33 HD1 PHE 33 2.154 5.113 -5.122 271 HD2 PHE 33 HD2 PHE 33 5.318 2.663 -6.632 272 HE1 PHE 33 HE1 PHE 33 3.681 7.039 -5.073 273 HE2 PHE 33 HE2 PHE 33 6.822 4.593 -6.585 274 HZ PHE 33 HZ PHE 33 6.015 6.780 -5.805 275 H ASP 34 H ASP 34 0.864 4.014 -8.941 276 HA ASP 34 HA ASP 34 2.000 2.287 -10.984 277 HB2 ASP 34 2HB ASP 34 -0.262 3.346 -11.246 278 HB3 ASP 34 3HB ASP 34 0.501 4.931 -11.269 279 H SER 35 H SER 35 4.212 2.470 -10.641 280 HA SER 35 HA SER 35 5.548 4.734 -11.868 281 HB2 SER 35 2HB SER 35 5.415 5.515 -9.517 282 HB3 SER 35 3HB SER 35 6.101 3.997 -8.949 283 HG SER 35 HG SER 35 7.492 6.005 -9.297 284 H THR 36 H THR 36 7.674 4.225 -12.485 285 HA THR 36 HA THR 36 8.495 1.388 -12.280 286 HB THR 36 HB THR 36 9.811 1.841 -14.400 287 HG1 THR 36 HG1 THR 36 8.728 3.817 -15.532 288 HG21 THR 36 3HG2 THR 36 6.809 2.284 -14.677 289 HG22 THR 36 1HG2 THR 36 7.608 0.712 -14.545 290 HG23 THR 36 2HG2 THR 36 7.907 1.739 -15.949 291 H ASP 37 H ASP 37 9.169 4.235 -10.791 292 HA ASP 37 HA ASP 37 12.100 4.190 -11.034 293 HB2 ASP 37 2HB ASP 37 10.943 6.400 -10.942 294 HB3 ASP 37 3HB ASP 37 10.286 5.994 -9.356 295 H ASP 38 H ASP 38 13.146 2.774 -9.868 296 HA ASP 38 HA ASP 38 12.182 0.985 -8.061 297 HB2 ASP 38 2HB ASP 38 15.056 2.008 -8.213 298 HB3 ASP 38 3HB ASP 38 14.559 0.532 -7.386 299 H LYS 39 H LYS 39 13.657 4.128 -7.270 300 HA LYS 39 HA LYS 39 13.947 3.707 -4.488 301 HB2 LYS 39 2HB LYS 39 13.683 6.310 -6.050 302 HB3 LYS 39 3HB LYS 39 14.162 6.218 -4.361 303 HG2 LYS 39 2HG LYS 39 15.782 4.691 -6.390 304 HG3 LYS 39 3HG LYS 39 15.959 6.440 -6.321 305 HD2 LYS 39 2HD LYS 39 17.698 5.385 -4.989 306 HD3 LYS 39 3HD LYS 39 16.608 6.276 -3.929 307 HE2 LYS 39 2HE LYS 39 17.258 4.135 -2.926 308 HE3 LYS 39 3HE LYS 39 15.530 4.134 -3.275 309 HZ1 LYS 39 3HZ LYS 39 17.645 2.847 -4.917 310 HZ2 LYS 39 1HZ LYS 39 15.999 2.858 -5.291 311 HZ3 LYS 39 2HZ LYS 39 16.545 2.053 -3.909 312 H GLU 40 H GLU 40 11.384 5.276 -6.404 313 HA GLU 40 HA GLU 40 9.750 6.101 -4.210 314 HB2 GLU 40 2HB GLU 40 9.020 5.678 -7.140 315 HB3 GLU 40 3HB GLU 40 8.026 6.522 -5.951 316 HG2 GLU 40 2HG GLU 40 9.992 8.125 -5.646 317 HG3 GLU 40 3HG GLU 40 10.706 7.347 -7.067 318 H ILE 41 H ILE 41 9.706 3.292 -6.353 319 HA ILE 41 HA ILE 41 7.424 1.971 -5.434 320 HB ILE 41 HB ILE 41 10.035 0.885 -6.596 321 HG12 ILE 41 2HG1 ILE 41 7.313 1.386 -7.902 322 HG13 ILE 41 3HG1 ILE 41 8.751 2.377 -8.122 323 HG21 ILE 41 1HG2 ILE 41 8.837 -1.216 -7.079 324 HG22 ILE 41 2HG2 ILE 41 7.425 -0.611 -6.212 325 HG23 ILE 41 3HG2 ILE 41 8.929 -0.914 -5.341 326 HD11 ILE 41 3HD1 ILE 41 8.415 -0.491 -8.998 327 HD12 ILE 41 1HD1 ILE 41 9.883 0.476 -9.186 328 HD13 ILE 41 2HD1 ILE 41 8.405 0.940 -10.029 329 H GLU 42 H GLU 42 10.797 1.942 -4.284 330 HA GLU 42 HA GLU 42 10.490 -0.059 -2.267 331 HB2 GLU 42 2HB GLU 42 12.660 2.002 -2.808 332 HB3 GLU 42 3HB GLU 42 12.740 0.895 -1.436 333 HG2 GLU 42 2HG GLU 42 12.718 -1.034 -2.936 334 HG3 GLU 42 3HG GLU 42 12.528 0.027 -4.334 335 H GLU 43 H GLU 43 10.224 3.482 -2.254 336 HA GLU 43 HA GLU 43 9.783 3.864 0.486 337 HB2 GLU 43 2HB GLU 43 8.675 5.378 -1.914 338 HB3 GLU 43 3HB GLU 43 8.435 5.901 -0.245 339 HG2 GLU 43 2HG GLU 43 10.905 6.034 0.046 340 HG3 GLU 43 3HG GLU 43 11.110 5.585 -1.647 341 H PHE 44 H PHE 44 7.462 2.984 -2.113 342 HA PHE 44 HA PHE 44 5.141 2.963 -0.443 343 HB2 PHE 44 2HB PHE 44 4.980 3.246 -2.870 344 HB3 PHE 44 3HB PHE 44 5.700 1.668 -3.145 345 HD1 PHE 44 HD1 PHE 44 2.686 3.232 -1.477 346 HD2 PHE 44 HD2 PHE 44 4.270 -0.116 -3.588 347 HE1 PHE 44 HE1 PHE 44 0.431 2.247 -1.629 348 HE2 PHE 44 HE2 PHE 44 2.035 -1.103 -3.725 349 HZ PHE 44 HZ PHE 44 0.106 0.079 -2.753 350 H GLU 45 H GLU 45 7.501 0.504 -1.428 351 HA GLU 45 HA GLU 45 6.385 -1.803 -0.360 352 HB2 GLU 45 2HB GLU 45 9.274 -0.911 -0.630 353 HB3 GLU 45 3HB GLU 45 8.853 -2.503 -0.010 354 HG2 GLU 45 2HG GLU 45 7.856 -1.579 -2.708 355 HG3 GLU 45 3HG GLU 45 9.476 -2.252 -2.509 356 H ARG 46 H ARG 46 8.843 0.289 1.206 357 HA ARG 46 HA ARG 46 8.850 -1.131 3.638 358 HB2 ARG 46 2HB ARG 46 10.364 0.604 4.468 359 HB3 ARG 46 3HB ARG 46 10.794 0.138 2.828 360 HG2 ARG 46 2HG ARG 46 9.695 2.186 1.968 361 HG3 ARG 46 3HG ARG 46 9.306 2.669 3.621 362 HD2 ARG 46 2HD ARG 46 12.100 2.315 2.469 363 HD3 ARG 46 3HD ARG 46 11.287 3.852 2.762 364 HE ARG 46 HE ARG 46 11.805 2.013 5.014 365 HH11 ARG 46 1HH1 ARG 46 12.444 5.133 3.499 366 HH12 ARG 46 2HH1 ARG 46 13.245 5.777 4.894 367 HH21 ARG 46 1HH2 ARG 46 12.894 2.862 6.806 368 HH22 ARG 46 2HH2 ARG 46 13.501 4.487 6.774 369 H ASP 47 H ASP 47 7.217 1.877 2.695 370 HA ASP 47 HA ASP 47 6.082 2.511 5.188 371 HB2 ASP 47 2HB ASP 47 5.429 3.307 2.345 372 HB3 ASP 47 3HB ASP 47 4.350 3.785 3.650 373 H MET 48 H MET 48 4.730 0.520 2.502 374 HA MET 48 HA MET 48 2.192 0.076 3.762 375 HB2 MET 48 2HB MET 48 3.610 -1.224 1.430 376 HB3 MET 48 3HB MET 48 2.184 -2.015 2.105 377 HG2 MET 48 2HG MET 48 2.290 0.818 1.068 378 HG3 MET 48 3HG MET 48 1.598 -0.569 0.219 379 HE1 MET 48 3HE MET 48 -1.525 1.643 1.387 380 HE2 MET 48 1HE MET 48 -0.547 1.144 0.009 381 HE3 MET 48 2HE MET 48 0.069 2.351 1.138 382 H GLU 49 H GLU 49 5.220 -1.724 3.715 383 HA GLU 49 HA GLU 49 4.520 -3.928 5.336 384 HB2 GLU 49 2HB GLU 49 7.159 -2.452 4.965 385 HB3 GLU 49 3HB GLU 49 7.005 -3.928 5.919 386 HG2 GLU 49 2HG GLU 49 6.290 -5.179 3.961 387 HG3 GLU 49 3HG GLU 49 6.283 -3.708 2.988 388 H ASP 50 H ASP 50 5.810 -0.731 6.142 389 HA ASP 50 HA ASP 50 6.083 -1.002 8.907 390 HB2 ASP 50 2HB ASP 50 7.079 0.835 7.545 391 HB3 ASP 50 3HB ASP 50 5.477 1.506 7.257 392 H LEU 51 H LEU 51 3.435 0.322 6.980 393 HA LEU 51 HA LEU 51 1.636 1.028 9.000 394 HB2 LEU 51 2HB LEU 51 1.538 1.802 6.636 395 HB3 LEU 51 3HB LEU 51 1.059 0.189 6.132 396 HG LEU 51 HG LEU 51 -1.051 0.440 7.511 397 HD11 LEU 51 1HD1 LEU 51 -1.733 2.662 8.279 398 HD12 LEU 51 2HD1 LEU 51 -0.151 3.316 7.844 399 HD13 LEU 51 3HD1 LEU 51 -0.289 2.106 9.125 400 HD21 LEU 51 3HD2 LEU 51 -2.208 1.897 5.938 401 HD22 LEU 51 1HD2 LEU 51 -1.060 0.860 5.092 402 HD23 LEU 51 2HD2 LEU 51 -0.669 2.559 5.380 403 H ALA 52 H ALA 52 1.905 -1.995 7.090 404 HA ALA 52 HA ALA 52 -0.366 -3.311 8.103 405 HB1 ALA 52 3HB ALA 52 0.798 -3.979 6.052 406 HB2 ALA 52 1HB ALA 52 0.644 -5.338 7.164 407 HB3 ALA 52 2HB ALA 52 2.195 -4.504 6.998 408 H LYS 53 H LYS 53 2.997 -3.258 9.244 409 HA LYS 53 HA LYS 53 2.776 -5.145 11.345 410 HB2 LYS 53 2HB LYS 53 4.622 -2.714 11.181 411 HB3 LYS 53 3HB LYS 53 4.858 -4.121 12.220 412 HG2 LYS 53 2HG LYS 53 5.275 -5.557 10.319 413 HG3 LYS 53 3HG LYS 53 4.781 -4.295 9.195 414 HD2 LYS 53 2HD LYS 53 6.770 -2.929 10.244 415 HD3 LYS 53 3HD LYS 53 7.314 -4.503 10.795 416 HE2 LYS 53 2HE LYS 53 6.817 -3.730 7.923 417 HE3 LYS 53 3HE LYS 53 8.397 -3.864 8.690 418 HZ1 LYS 53 3HZ LYS 53 7.974 -6.225 9.033 419 HZ2 LYS 53 1HZ LYS 53 7.884 -5.821 7.396 420 HZ3 LYS 53 2HZ LYS 53 6.470 -6.083 8.277 421 H LYS 54 H LYS 54 2.489 -1.593 11.289 422 HA LYS 54 HA LYS 54 1.915 -1.017 13.961 423 HB2 LYS 54 2HB LYS 54 0.902 0.393 11.450 424 HB3 LYS 54 3HB LYS 54 0.799 1.069 13.074 425 HG2 LYS 54 2HG LYS 54 3.194 1.272 13.238 426 HG3 LYS 54 3HG LYS 54 3.432 0.339 11.758 427 HD2 LYS 54 2HD LYS 54 3.753 2.707 11.276 428 HD3 LYS 54 3HD LYS 54 2.301 2.130 10.456 429 HE2 LYS 54 2HE LYS 54 1.924 4.338 11.443 430 HE3 LYS 54 3HE LYS 54 0.907 3.136 12.243 431 HZ1 LYS 54 3HZ LYS 54 3.496 4.154 13.276 432 HZ2 LYS 54 1HZ LYS 54 2.477 3.061 14.062 433 HZ3 LYS 54 2HZ LYS 54 1.979 4.649 13.811 434 H THR 55 H THR 55 -0.207 -2.208 11.434 435 HA THR 55 HA THR 55 -2.628 -1.824 13.060 436 HB THR 55 HB THR 55 -3.835 -2.434 10.936 437 HG1 THR 55 HG1 THR 55 -1.624 -2.065 9.336 438 HG21 THR 55 3HG2 THR 55 -1.831 -0.166 10.617 439 HG22 THR 55 1HG2 THR 55 -3.389 -0.049 11.440 440 HG23 THR 55 2HG2 THR 55 -3.331 -0.356 9.703 441 H GLY 56 H GLY 56 -0.348 -4.297 12.377 442 HA2 GLY 56 2HA GLY 56 -0.282 -6.491 13.049 443 HA3 GLY 56 3HA GLY 56 -1.853 -6.286 13.808 444 H VAL 57 H VAL 57 -1.376 -5.603 10.421 445 HA VAL 57 HA VAL 57 -2.741 -8.119 9.637 446 HB VAL 57 HB VAL 57 -3.784 -7.033 7.758 447 HG11 VAL 57 1HG1 VAL 57 -5.302 -5.431 8.859 448 HG12 VAL 57 2HG1 VAL 57 -4.204 -5.334 10.240 449 HG13 VAL 57 3HG1 VAL 57 -5.013 -6.860 9.857 450 HG21 VAL 57 3HG2 VAL 57 -3.583 -4.593 7.278 451 HG22 VAL 57 1HG2 VAL 57 -2.057 -5.456 7.063 452 HG23 VAL 57 2HG2 VAL 57 -2.315 -4.473 8.504 453 H GLN 58 H GLN 58 -2.236 -8.717 7.264 454 HA GLN 58 HA GLN 58 0.677 -8.514 6.823 455 HB2 GLN 58 2HB GLN 58 -1.384 -10.375 5.561 456 HB3 GLN 58 3HB GLN 58 0.338 -10.391 5.207 457 HG2 GLN 58 2HG GLN 58 0.852 -11.114 7.458 458 HG3 GLN 58 3HG GLN 58 -0.836 -10.952 7.943 459 HE21 GLN 58 1HE2 GLN 58 0.896 -13.320 7.999 460 HE22 GLN 58 2HE2 GLN 58 0.074 -14.521 7.071 461 H ILE 59 H ILE 59 1.341 -8.442 4.483 462 HA ILE 59 HA ILE 59 -0.322 -6.596 2.857 463 HB ILE 59 HB ILE 59 1.785 -5.966 1.700 464 HG12 ILE 59 2HG1 ILE 59 3.122 -7.883 3.666 465 HG13 ILE 59 3HG1 ILE 59 3.068 -8.043 1.914 466 HG21 ILE 59 1HG2 ILE 59 1.105 -4.656 3.685 467 HG22 ILE 59 2HG2 ILE 59 2.852 -4.682 3.504 468 HG23 ILE 59 3HG2 ILE 59 2.075 -5.704 4.715 469 HD11 ILE 59 3HD1 ILE 59 4.526 -5.927 3.482 470 HD12 ILE 59 1HD1 ILE 59 4.430 -6.011 1.716 471 HD13 ILE 59 2HD1 ILE 59 5.228 -7.299 2.615 472 H GLN 60 H GLN 60 -0.139 -6.983 0.464 473 HA GLN 60 HA GLN 60 0.857 -9.637 -0.370 474 HB2 GLN 60 2HB GLN 60 -1.702 -9.605 -0.010 475 HB3 GLN 60 3HB GLN 60 -1.804 -8.453 -1.330 476 HG2 GLN 60 2HG GLN 60 -0.675 -11.260 -1.615 477 HG3 GLN 60 3HG GLN 60 -2.355 -10.852 -1.910 478 HE21 GLN 60 1HE2 GLN 60 0.885 -10.676 -3.128 479 HE22 GLN 60 2HE2 GLN 60 0.496 -10.077 -4.699 480 H LYS 61 H LYS 61 2.622 -8.850 -1.471 481 HA LYS 61 HA LYS 61 2.472 -6.451 -3.109 482 HB2 LYS 61 2HB LYS 61 4.726 -8.512 -2.996 483 HB3 LYS 61 3HB LYS 61 4.830 -6.870 -3.631 484 HG2 LYS 61 2HG LYS 61 4.518 -5.974 -1.336 485 HG3 LYS 61 3HG LYS 61 4.408 -7.629 -0.717 486 HD2 LYS 61 2HD LYS 61 6.733 -8.054 -1.582 487 HD3 LYS 61 3HD LYS 61 6.817 -6.359 -2.082 488 HE2 LYS 61 2HE LYS 61 6.481 -7.316 0.784 489 HE3 LYS 61 3HE LYS 61 7.994 -6.768 0.058 490 HZ1 LYS 61 3HZ LYS 61 5.547 -5.143 0.457 491 HZ2 LYS 61 1HZ LYS 61 6.935 -4.619 -0.337 492 HZ3 LYS 61 2HZ LYS 61 7.014 -4.988 1.294 493 H GLN 62 H GLN 62 1.382 -6.651 -5.017 494 HA GLN 62 HA GLN 62 1.823 -9.021 -6.733 495 HB2 GLN 62 2HB GLN 62 -0.554 -8.613 -6.226 496 HB3 GLN 62 3HB GLN 62 -0.422 -6.945 -6.775 497 HG2 GLN 62 2HG GLN 62 -1.539 -8.392 -8.444 498 HG3 GLN 62 3HG GLN 62 -0.049 -7.688 -9.077 499 HE21 GLN 62 1HE2 GLN 62 0.383 -9.244 -10.600 500 HE22 GLN 62 2HE2 GLN 62 0.741 -10.892 -10.218 501 H TRP 63 H TRP 63 3.551 -8.594 -7.945 502 HA TRP 63 HA TRP 63 4.086 -5.953 -9.078 503 HB2 TRP 63 2HB TRP 63 5.606 -8.600 -9.204 504 HB3 TRP 63 3HB TRP 63 6.180 -7.071 -9.862 505 HD1 TRP 63 HD1 TRP 63 5.673 -8.872 -6.482 506 HE1 TRP 63 HE1 TRP 63 7.040 -7.624 -4.693 507 HE3 TRP 63 HE3 TRP 63 7.121 -4.799 -9.234 508 HZ2 TRP 63 HZ2 TRP 63 8.540 -5.256 -4.478 509 HZ3 TRP 63 HZ3 TRP 63 8.531 -3.090 -8.159 510 HH2 TRP 63 HH2 TRP 63 9.226 -3.318 -5.823 511 H GLN 64 H GLN 64 3.441 -5.478 -11.145 512 HA GLN 64 HA GLN 64 2.984 -7.648 -13.090 513 HB2 GLN 64 2HB GLN 64 0.817 -6.862 -11.821 514 HB3 GLN 64 3HB GLN 64 0.964 -5.390 -12.766 515 HG2 GLN 64 2HG GLN 64 -0.608 -6.810 -13.880 516 HG3 GLN 64 3HG GLN 64 0.867 -6.800 -14.853 517 HE21 GLN 64 1HE2 GLN 64 0.340 -8.797 -15.830 518 HE22 GLN 64 2HE2 GLN 64 0.414 -10.292 -14.972 519 H GLY 65 H GLY 65 4.973 -6.914 -13.985 520 HA2 GLY 65 2HA GLY 65 6.219 -5.815 -15.575 521 HA3 GLY 65 3HA GLY 65 4.767 -4.930 -16.031 522 H ASN 66 H ASN 66 6.734 -5.122 -13.087 523 HA ASN 66 HA ASN 66 7.710 -3.679 -11.690 524 HB2 ASN 66 2HB ASN 66 7.911 -1.909 -14.158 525 HB3 ASN 66 3HB ASN 66 8.663 -1.509 -12.617 526 HD21 ASN 66 1HD2 ASN 66 10.747 -1.549 -13.557 527 HD22 ASN 66 2HD2 ASN 66 11.517 -3.039 -13.983 528 H LYS 67 H LYS 67 4.684 -3.517 -12.315 529 HA LYS 67 HA LYS 67 4.104 -0.886 -11.085 530 HB2 LYS 67 2HB LYS 67 2.270 -2.816 -12.572 531 HB3 LYS 67 3HB LYS 67 1.768 -1.279 -11.867 532 HG2 LYS 67 2HG LYS 67 3.845 -1.555 -14.065 533 HG3 LYS 67 3HG LYS 67 2.133 -1.214 -14.348 534 HD2 LYS 67 2HD LYS 67 2.361 0.883 -13.001 535 HD3 LYS 67 3HD LYS 67 4.085 0.547 -12.801 536 HE2 LYS 67 2HE LYS 67 4.479 0.810 -15.164 537 HE3 LYS 67 3HE LYS 67 2.746 0.881 -15.505 538 HZ1 LYS 67 3HZ LYS 67 4.277 2.896 -13.947 539 HZ2 LYS 67 1HZ LYS 67 2.622 2.955 -14.285 540 HZ3 LYS 67 2HZ LYS 67 3.745 3.070 -15.537 541 H LEU 68 H LEU 68 3.803 -1.023 -8.931 542 HA LEU 68 HA LEU 68 3.514 -3.685 -7.735 543 HB2 LEU 68 2HB LEU 68 5.499 -2.454 -7.146 544 HB3 LEU 68 3HB LEU 68 4.561 -1.034 -6.708 545 HG LEU 68 HG LEU 68 3.625 -2.247 -4.751 546 HD11 LEU 68 1HD1 LEU 68 4.540 -4.427 -4.056 547 HD12 LEU 68 2HD1 LEU 68 5.433 -4.541 -5.576 548 HD13 LEU 68 3HD1 LEU 68 3.668 -4.542 -5.585 549 HD21 LEU 68 3HD2 LEU 68 5.652 -2.229 -3.414 550 HD22 LEU 68 1HD2 LEU 68 5.651 -0.884 -4.554 551 HD23 LEU 68 2HD2 LEU 68 6.646 -2.311 -4.874 552 H ARG 69 H ARG 69 1.452 -4.154 -7.377 553 HA ARG 69 HA ARG 69 -0.384 -2.212 -6.143 554 HB2 ARG 69 2HB ARG 69 -1.058 -3.253 -8.323 555 HB3 ARG 69 3HB ARG 69 -0.999 -4.843 -7.567 556 HG2 ARG 69 2HG ARG 69 -2.860 -4.289 -6.111 557 HG3 ARG 69 3HG ARG 69 -2.814 -2.602 -6.625 558 HD2 ARG 69 2HD ARG 69 -4.669 -3.699 -7.716 559 HD3 ARG 69 3HD ARG 69 -3.446 -3.305 -8.927 560 HE ARG 69 HE ARG 69 -3.952 -6.010 -7.814 561 HH11 ARG 69 1HH1 ARG 69 -2.831 -3.992 -10.483 562 HH12 ARG 69 2HH1 ARG 69 -2.607 -5.341 -11.550 563 HH21 ARG 69 1HH2 ARG 69 -3.695 -7.743 -9.223 564 HH22 ARG 69 2HH2 ARG 69 -3.101 -7.479 -10.828 565 H ILE 70 H ILE 70 -0.456 -2.430 -3.979 566 HA ILE 70 HA ILE 70 0.106 -5.056 -2.727 567 HB ILE 70 HB ILE 70 0.568 -2.269 -1.572 568 HG12 ILE 70 2HG1 ILE 70 2.461 -4.572 -2.262 569 HG13 ILE 70 3HG1 ILE 70 2.346 -3.030 -3.098 570 HG21 ILE 70 1HG2 ILE 70 -0.351 -3.731 0.203 571 HG22 ILE 70 2HG2 ILE 70 1.353 -3.389 0.502 572 HG23 ILE 70 3HG2 ILE 70 0.873 -4.954 -0.157 573 HD11 ILE 70 3HD1 ILE 70 4.319 -3.109 -1.724 574 HD12 ILE 70 1HD1 ILE 70 3.361 -3.460 -0.285 575 HD13 ILE 70 2HD1 ILE 70 3.205 -1.897 -1.096 576 H ARG 71 H ARG 71 -1.582 -6.035 -1.838 577 HA ARG 71 HA ARG 71 -3.984 -4.524 -1.061 578 HB2 ARG 71 2HB ARG 71 -4.366 -6.467 -2.523 579 HB3 ARG 71 3HB ARG 71 -3.503 -7.519 -1.402 580 HG2 ARG 71 2HG ARG 71 -5.260 -7.132 0.304 581 HG3 ARG 71 3HG ARG 71 -6.125 -6.092 -0.827 582 HD2 ARG 71 2HD ARG 71 -6.498 -7.985 -2.328 583 HD3 ARG 71 3HD ARG 71 -5.533 -9.035 -1.282 584 HE ARG 71 HE ARG 71 -7.414 -8.187 0.432 585 HH11 ARG 71 1HH1 ARG 71 -7.768 -9.526 -2.819 586 HH12 ARG 71 2HH1 ARG 71 -9.326 -10.211 -2.483 587 HH21 ARG 71 1HH2 ARG 71 -9.437 -9.093 0.847 588 HH22 ARG 71 2HH2 ARG 71 -10.271 -9.966 -0.401 589 H LEU 72 H LEU 72 -4.486 -4.251 1.047 590 HA LEU 72 HA LEU 72 -2.890 -5.594 3.152 591 HB2 LEU 72 2HB LEU 72 -4.474 -2.998 3.339 592 HB3 LEU 72 3HB LEU 72 -3.530 -3.726 4.630 593 HG LEU 72 HG LEU 72 -2.496 -2.398 2.096 594 HD11 LEU 72 1HD1 LEU 72 -1.378 -0.883 3.618 595 HD12 LEU 72 2HD1 LEU 72 -1.971 -1.785 5.015 596 HD13 LEU 72 3HD1 LEU 72 -3.101 -0.922 3.974 597 HD21 LEU 72 3HD2 LEU 72 -0.870 -3.954 4.127 598 HD22 LEU 72 1HD2 LEU 72 -0.217 -2.953 2.825 599 HD23 LEU 72 2HD2 LEU 72 -1.147 -4.398 2.441 600 H LYS 73 H LYS 73 -3.984 -6.822 4.615 601 HA LYS 73 HA LYS 73 -6.854 -7.280 4.064 602 HB2 LYS 73 2HB LYS 73 -6.454 -9.546 5.050 603 HB3 LYS 73 3HB LYS 73 -5.583 -9.207 3.557 604 HG2 LYS 73 2HG LYS 73 -3.549 -8.662 4.993 605 HG3 LYS 73 3HG LYS 73 -4.460 -9.302 6.368 606 HD2 LYS 73 2HD LYS 73 -3.070 -11.074 5.539 607 HD3 LYS 73 3HD LYS 73 -4.734 -11.453 5.099 608 HE2 LYS 73 2HE LYS 73 -4.321 -10.677 2.798 609 HE3 LYS 73 3HE LYS 73 -2.680 -10.201 3.235 610 HZ1 LYS 73 3HZ LYS 73 -3.753 -12.976 3.246 611 HZ2 LYS 73 1HZ LYS 73 -2.189 -12.534 3.716 612 HZ3 LYS 73 2HZ LYS 73 -2.680 -12.323 2.117 613 H GLY 74 H GLY 74 -7.476 -5.579 5.313 614 HA2 GLY 74 2HA GLY 74 -7.021 -4.983 7.982 615 HA3 GLY 74 3HA GLY 74 -8.517 -4.626 7.135 616 H SER 75 H SER 75 -9.557 -7.072 6.654 617 HA SER 75 HA SER 75 -9.902 -8.349 9.293 618 HB2 SER 75 2HB SER 75 -11.812 -9.542 8.193 619 HB3 SER 75 3HB SER 75 -11.992 -7.792 8.149 620 HG SER 75 HG SER 75 -10.708 -8.538 5.935 621 H LEU 76 H LEU 76 -7.685 -9.084 9.156 622 HA LEU 76 HA LEU 76 -6.774 -10.997 7.244 623 HB2 LEU 76 2HB LEU 76 -5.391 -9.543 8.885 624 HB3 LEU 76 3HB LEU 76 -5.780 -10.725 10.114 625 HG LEU 76 HG LEU 76 -4.162 -11.296 7.587 626 HD11 LEU 76 1HD1 LEU 76 -2.977 -9.793 9.081 627 HD12 LEU 76 2HD1 LEU 76 -2.212 -11.377 9.064 628 HD13 LEU 76 3HD1 LEU 76 -3.217 -10.899 10.436 629 HD21 LEU 76 3HD2 LEU 76 -4.612 -13.094 9.997 630 HD22 LEU 76 1HD2 LEU 76 -3.505 -13.420 8.657 631 HD23 LEU 76 2HD2 LEU 76 -5.242 -13.356 8.371 632 H GLU 77 H GLU 77 -7.854 -11.316 10.621 633 HA GLU 77 HA GLU 77 -8.226 -14.219 10.333 634 HB2 GLU 77 2HB GLU 77 -8.389 -12.449 12.811 635 HB3 GLU 77 3HB GLU 77 -8.428 -14.211 12.794 636 HG2 GLU 77 2HG GLU 77 -6.106 -14.263 11.957 637 HG3 GLU 77 3HG GLU 77 -6.070 -12.497 11.931 638 H HIS 78 H HIS 78 -10.199 -14.479 9.256 639 HA HIS 78 HA HIS 78 -12.639 -13.435 10.520 640 HB2 HIS 78 2HB HIS 78 -12.537 -13.514 8.031 641 HB3 HIS 78 3HB HIS 78 -12.277 -15.255 8.074 642 HD1 HIS 78 HD1 HIS 78 -14.454 -15.203 6.465 643 HD2 HIS 78 HD2 HIS 78 -15.123 -14.185 10.439 644 HE1 HIS 78 HE1 HIS 78 -16.914 -15.511 6.850 645 HE2 HIS 78 HE2 HIS 78 -17.215 -15.161 9.305 646 H HIS 79 H HIS 79 -11.445 -14.607 12.404 647 HA HIS 79 HA HIS 79 -10.883 -16.402 13.735 648 HB2 HIS 79 2HB HIS 79 -12.976 -15.294 14.575 649 HB3 HIS 79 3HB HIS 79 -13.924 -16.546 13.776 650 HD1 HIS 79 HD1 HIS 79 -11.917 -15.853 16.829 651 HD2 HIS 79 HD2 HIS 79 -13.688 -19.151 15.021 652 HE1 HIS 79 HE1 HIS 79 -11.855 -17.686 18.541 653 HE2 HIS 79 HE2 HIS 79 -13.030 -19.624 17.464 654 H HIS 80 H HIS 80 -13.839 -17.948 12.532 655 HA HIS 80 HA HIS 80 -12.254 -20.206 11.446 656 HB2 HIS 80 2HB HIS 80 -13.368 -20.743 13.669 657 HB3 HIS 80 3HB HIS 80 -14.924 -20.475 12.903 658 HD1 HIS 80 HD1 HIS 80 -12.581 -23.125 13.669 659 HD2 HIS 80 HD2 HIS 80 -15.316 -22.413 10.612 660 HE1 HIS 80 HE1 HIS 80 -13.003 -25.355 12.586 661 HE2 HIS 80 HE2 HIS 80 -14.727 -24.909 10.820 662 H HIS 81 H HIS 81 -12.430 -18.976 9.489 663 HA HIS 81 HA HIS 81 -15.019 -18.867 8.152 664 HB2 HIS 81 2HB HIS 81 -13.801 -17.975 6.225 665 HB3 HIS 81 3HB HIS 81 -13.291 -17.132 7.682 666 HD1 HIS 81 HD1 HIS 81 -12.025 -19.378 4.965 667 HD2 HIS 81 HD2 HIS 81 -10.597 -17.616 8.454 668 HE1 HIS 81 HE1 HIS 81 -9.527 -19.666 4.907 669 HE2 HIS 81 HE2 HIS 81 -8.695 -18.615 7.029 670 H HIS 82 H HIS 82 -14.968 -19.832 5.813 671 HA HIS 82 HA HIS 82 -14.828 -22.680 6.087 672 HB2 HIS 82 2HB HIS 82 -15.472 -20.941 3.661 673 HB3 HIS 82 3HB HIS 82 -15.608 -22.697 3.683 674 HD1 HIS 82 HD1 HIS 82 -18.186 -22.117 3.078 675 HD2 HIS 82 HD2 HIS 82 -16.962 -21.174 6.938 676 HE1 HIS 82 HE1 HIS 82 -20.295 -21.788 4.409 677 HE2 HIS 82 HE2 HIS 82 -19.524 -21.235 6.728 678 H HIS 83 H HIS 83 -12.996 -23.779 5.978 679 HA HIS 83 HA HIS 83 -11.019 -23.367 3.885 680 HB2 HIS 83 2HB HIS 83 -10.281 -21.765 5.658 681 HB3 HIS 83 3HB HIS 83 -10.233 -23.073 6.830 682 HD1 HIS 83 HD1 HIS 83 -8.126 -24.460 6.923 683 HD2 HIS 83 HD2 HIS 83 -8.209 -21.941 3.618 684 HE1 HIS 83 HE1 HIS 83 -5.820 -24.552 5.945 685 HE2 HIS 83 HE2 HIS 83 -5.864 -22.923 4.035 Start of MODEL 16 1 H1 MET 1 1H MET 1 -18.439 -6.429 4.702 2 H2 MET 1 2H MET 1 -19.951 -7.145 4.928 3 H3 MET 1 3H MET 1 -19.616 -5.639 5.616 4 HA MET 1 HA MET 1 -19.791 -6.263 2.733 5 HB2 MET 1 2HB MET 1 -21.616 -4.618 4.544 6 HB3 MET 1 3HB MET 1 -21.774 -4.698 2.794 7 HG2 MET 1 2HG MET 1 -22.255 -7.111 2.948 8 HG3 MET 1 3HG MET 1 -22.087 -7.032 4.700 9 HE1 MET 1 3HE MET 1 -25.137 -4.733 5.671 10 HE2 MET 1 1HE MET 1 -23.496 -4.191 5.327 11 HE3 MET 1 2HE MET 1 -23.761 -5.651 6.285 12 H GLY 2 H GLY 2 -19.210 -4.620 1.335 13 HA2 GLY 2 2HA GLY 2 -18.623 -1.984 1.682 14 HA3 GLY 2 3HA GLY 2 -17.167 -2.806 2.250 15 H LEU 3 H LEU 3 -15.715 -2.458 0.622 16 HA LEU 3 HA LEU 3 -15.967 -4.070 -1.701 17 HB2 LEU 3 2HB LEU 3 -15.777 -2.421 -3.470 18 HB3 LEU 3 3HB LEU 3 -17.243 -2.131 -2.559 19 HG LEU 3 HG LEU 3 -14.698 -0.460 -2.300 20 HD11 LEU 3 1HD1 LEU 3 -17.253 0.139 -3.831 21 HD12 LEU 3 2HD1 LEU 3 -15.660 -0.190 -4.524 22 HD13 LEU 3 3HD1 LEU 3 -15.919 1.271 -3.575 23 HD21 LEU 3 3HD2 LEU 3 -16.109 1.175 -1.103 24 HD22 LEU 3 1HD2 LEU 3 -16.059 -0.368 -0.249 25 HD23 LEU 3 2HD2 LEU 3 -17.484 0.070 -1.194 26 H THR 4 H THR 4 -14.022 -4.835 -2.158 27 HA THR 4 HA THR 4 -11.598 -3.590 -1.089 28 HB THR 4 HB THR 4 -11.878 -6.222 -2.634 29 HG1 THR 4 HG1 THR 4 -12.171 -7.214 -0.710 30 HG21 THR 4 3HG2 THR 4 -9.641 -5.277 -0.785 31 HG22 THR 4 1HG2 THR 4 -9.534 -5.397 -2.544 32 HG23 THR 4 2HG2 THR 4 -9.738 -6.854 -1.570 33 H ARG 5 H ARG 5 -12.282 -1.758 -2.636 34 HA ARG 5 HA ARG 5 -12.000 -1.994 -5.450 35 HB2 ARG 5 2HB ARG 5 -12.044 0.430 -5.554 36 HB3 ARG 5 3HB ARG 5 -13.215 -0.103 -4.356 37 HG2 ARG 5 2HG ARG 5 -11.837 0.634 -2.538 38 HG3 ARG 5 3HG ARG 5 -10.438 0.841 -3.592 39 HD2 ARG 5 2HD ARG 5 -11.359 3.018 -3.033 40 HD3 ARG 5 3HD ARG 5 -11.597 2.700 -4.752 41 HE ARG 5 HE ARG 5 -13.750 2.333 -2.750 42 HH11 ARG 5 1HH1 ARG 5 -12.678 3.707 -5.819 43 HH12 ARG 5 2HH1 ARG 5 -14.250 4.310 -6.222 44 HH21 ARG 5 1HH2 ARG 5 -15.779 3.156 -3.280 45 HH22 ARG 5 2HH2 ARG 5 -16.021 3.998 -4.777 46 H THR 6 H THR 6 -10.361 -0.731 -6.750 47 HA THR 6 HA THR 6 -7.616 -1.251 -5.770 48 HB THR 6 HB THR 6 -8.593 -1.163 -8.661 49 HG1 THR 6 HG1 THR 6 -7.735 -3.426 -7.154 50 HG21 THR 6 3HG2 THR 6 -6.358 -2.047 -9.228 51 HG22 THR 6 1HG2 THR 6 -5.875 -1.947 -7.537 52 HG23 THR 6 2HG2 THR 6 -6.226 -0.470 -8.442 53 H ILE 7 H ILE 7 -6.692 0.636 -5.173 54 HA ILE 7 HA ILE 7 -7.569 3.187 -6.368 55 HB ILE 7 HB ILE 7 -5.829 2.758 -3.883 56 HG12 ILE 7 2HG1 ILE 7 -8.825 3.314 -4.039 57 HG13 ILE 7 3HG1 ILE 7 -8.089 1.801 -3.530 58 HG21 ILE 7 1HG2 ILE 7 -7.281 5.260 -4.843 59 HG22 ILE 7 2HG2 ILE 7 -5.542 4.982 -4.961 60 HG23 ILE 7 3HG2 ILE 7 -6.306 5.120 -3.378 61 HD11 ILE 7 3HD1 ILE 7 -8.879 3.057 -1.639 62 HD12 ILE 7 1HD1 ILE 7 -7.883 4.442 -2.085 63 HD13 ILE 7 2HD1 ILE 7 -7.123 2.926 -1.588 64 H THR 8 H THR 8 -6.396 3.633 -8.121 65 HA THR 8 HA THR 8 -3.570 2.802 -8.349 66 HB THR 8 HB THR 8 -3.936 3.232 -10.834 67 HG1 THR 8 HG1 THR 8 -5.734 4.584 -10.738 68 HG21 THR 8 3HG2 THR 8 -5.774 1.161 -9.573 69 HG22 THR 8 1HG2 THR 8 -4.066 0.923 -9.974 70 HG23 THR 8 2HG2 THR 8 -5.252 1.170 -11.257 71 H SER 9 H SER 9 -2.247 4.391 -7.723 72 HA SER 9 HA SER 9 -2.675 7.142 -8.693 73 HB2 SER 9 2HB SER 9 -3.484 7.032 -6.327 74 HB3 SER 9 3HB SER 9 -1.900 6.438 -5.826 75 HG SER 9 HG SER 9 -2.715 8.966 -6.307 76 H GLN 10 H GLN 10 -0.811 8.302 -9.020 77 HA GLN 10 HA GLN 10 1.715 6.856 -9.253 78 HB2 GLN 10 2HB GLN 10 1.029 9.699 -10.129 79 HB3 GLN 10 3HB GLN 10 2.436 8.750 -10.609 80 HG2 GLN 10 2HG GLN 10 0.898 7.132 -11.734 81 HG3 GLN 10 3HG GLN 10 -0.453 8.195 -11.349 82 HE21 GLN 10 1HE2 GLN 10 2.289 7.692 -13.412 83 HE22 GLN 10 2HE2 GLN 10 1.973 9.003 -14.490 84 H ASN 11 H ASN 11 0.110 8.725 -7.003 85 HA ASN 11 HA ASN 11 2.548 9.695 -5.640 86 HB2 ASN 11 2HB ASN 11 0.884 11.478 -6.141 87 HB3 ASN 11 3HB ASN 11 -0.373 10.557 -5.323 88 HD21 ASN 11 1HD2 ASN 11 -0.388 10.491 -3.065 89 HD22 ASN 11 2HD2 ASN 11 0.555 11.570 -2.097 90 H LYS 12 H LYS 12 3.192 8.164 -4.197 91 HA LYS 12 HA LYS 12 1.432 6.103 -3.289 92 HB2 LYS 12 2HB LYS 12 3.390 5.236 -2.002 93 HB3 LYS 12 3HB LYS 12 3.682 5.463 -3.709 94 HG2 LYS 12 2HG LYS 12 5.664 6.198 -2.776 95 HG3 LYS 12 3HG LYS 12 4.787 7.713 -3.010 96 HD2 LYS 12 2HD LYS 12 4.174 7.773 -0.651 97 HD3 LYS 12 3HD LYS 12 4.891 6.179 -0.381 98 HE2 LYS 12 2HE LYS 12 6.355 7.977 0.421 99 HE3 LYS 12 3HE LYS 12 7.106 7.076 -0.892 100 HZ1 LYS 12 3HZ LYS 12 7.422 9.458 -1.106 101 HZ2 LYS 12 1HZ LYS 12 5.757 9.705 -1.180 102 HZ3 LYS 12 2HZ LYS 12 6.536 8.845 -2.404 103 H GLU 13 H GLU 13 2.217 9.210 -1.978 104 HA GLU 13 HA GLU 13 2.166 8.654 0.779 105 HB2 GLU 13 2HB GLU 13 1.440 11.214 -0.713 106 HB3 GLU 13 3HB GLU 13 1.611 11.110 1.036 107 HG2 GLU 13 2HG GLU 13 3.705 11.875 0.580 108 HG3 GLU 13 3HG GLU 13 4.035 10.164 0.357 109 H GLU 14 H GLU 14 -0.434 9.838 -1.370 110 HA GLU 14 HA GLU 14 -2.532 9.862 0.494 111 HB2 GLU 14 2HB GLU 14 -4.049 9.979 -1.433 112 HB3 GLU 14 3HB GLU 14 -2.650 11.017 -1.698 113 HG2 GLU 14 2HG GLU 14 -1.645 9.251 -3.127 114 HG3 GLU 14 3HG GLU 14 -3.101 8.278 -2.904 115 H LEU 15 H LEU 15 -1.137 7.241 -1.402 116 HA LEU 15 HA LEU 15 -3.241 5.335 -1.094 117 HB2 LEU 15 2HB LEU 15 -0.270 4.913 -1.615 118 HB3 LEU 15 3HB LEU 15 -1.472 3.633 -1.696 119 HG LEU 15 HG LEU 15 -1.407 6.084 -3.509 120 HD11 LEU 15 1HD1 LEU 15 0.458 4.571 -3.982 121 HD12 LEU 15 2HD1 LEU 15 -0.720 4.547 -5.292 122 HD13 LEU 15 3HD1 LEU 15 -0.656 3.211 -4.134 123 HD21 LEU 15 3HD2 LEU 15 -3.154 4.932 -4.791 124 HD22 LEU 15 1HD2 LEU 15 -3.683 5.267 -3.145 125 HD23 LEU 15 2HD2 LEU 15 -3.191 3.632 -3.596 126 H LEU 16 H LEU 16 -0.478 6.287 0.904 127 HA LEU 16 HA LEU 16 -0.528 4.039 2.722 128 HB2 LEU 16 2HB LEU 16 0.606 6.787 3.387 129 HB3 LEU 16 3HB LEU 16 1.135 5.226 3.994 130 HG LEU 16 HG LEU 16 1.525 6.220 1.165 131 HD11 LEU 16 1HD1 LEU 16 2.860 7.551 2.674 132 HD12 LEU 16 2HD1 LEU 16 3.900 6.494 1.725 133 HD13 LEU 16 3HD1 LEU 16 3.547 6.102 3.410 134 HD21 LEU 16 3HD2 LEU 16 3.073 4.310 0.891 135 HD22 LEU 16 1HD2 LEU 16 1.423 3.787 1.216 136 HD23 LEU 16 2HD2 LEU 16 2.632 3.726 2.501 137 H GLU 17 H GLU 17 -1.666 7.353 2.698 138 HA GLU 17 HA GLU 17 -2.705 7.621 5.267 139 HB2 GLU 17 2HB GLU 17 -2.127 9.406 3.483 140 HB3 GLU 17 3HB GLU 17 -3.717 9.087 2.790 141 HG2 GLU 17 2HG GLU 17 -4.736 9.707 4.967 142 HG3 GLU 17 3HG GLU 17 -3.126 10.070 5.585 143 H ILE 18 H ILE 18 -4.382 6.913 2.211 144 HA ILE 18 HA ILE 18 -6.999 6.567 3.333 145 HB ILE 18 HB ILE 18 -5.951 5.681 0.587 146 HG12 ILE 18 2HG1 ILE 18 -7.448 8.242 1.309 147 HG13 ILE 18 3HG1 ILE 18 -5.716 8.153 1.036 148 HG21 ILE 18 1HG2 ILE 18 -8.328 5.684 -0.137 149 HG22 ILE 18 2HG2 ILE 18 -8.828 6.076 1.509 150 HG23 ILE 18 3HG2 ILE 18 -8.058 4.525 1.170 151 HD11 ILE 18 3HD1 ILE 18 -6.831 9.035 -0.903 152 HD12 ILE 18 1HD1 ILE 18 -7.867 7.612 -1.010 153 HD13 ILE 18 2HD1 ILE 18 -6.128 7.464 -1.281 154 H ALA 19 H ALA 19 -4.280 4.400 2.616 155 HA ALA 19 HA ALA 19 -5.450 1.886 2.915 156 HB1 ALA 19 3HB ALA 19 -2.734 2.813 3.891 157 HB2 ALA 19 1HB ALA 19 -3.117 2.213 2.276 158 HB3 ALA 19 2HB ALA 19 -3.232 1.132 3.666 159 H LEU 20 H LEU 20 -3.957 3.931 5.404 160 HA LEU 20 HA LEU 20 -4.261 2.416 7.669 161 HB2 LEU 20 2HB LEU 20 -2.951 4.484 7.610 162 HB3 LEU 20 3HB LEU 20 -4.399 5.439 7.346 163 HG LEU 20 HG LEU 20 -5.188 4.776 9.670 164 HD11 LEU 20 1HD1 LEU 20 -3.897 2.731 9.989 165 HD12 LEU 20 2HD1 LEU 20 -3.598 3.877 11.293 166 HD13 LEU 20 3HD1 LEU 20 -2.394 3.658 10.019 167 HD21 LEU 20 3HD2 LEU 20 -2.562 6.284 9.559 168 HD22 LEU 20 1HD2 LEU 20 -3.748 6.354 10.867 169 HD23 LEU 20 2HD2 LEU 20 -4.167 6.958 9.266 170 H LYS 21 H LYS 21 -6.649 4.670 6.270 171 HA LYS 21 HA LYS 21 -8.454 4.498 8.467 172 HB2 LYS 21 2HB LYS 21 -9.937 5.910 7.243 173 HB3 LYS 21 3HB LYS 21 -8.303 6.466 6.915 174 HG2 LYS 21 2HG LYS 21 -8.393 5.329 4.707 175 HG3 LYS 21 3HG LYS 21 -10.066 4.869 5.027 176 HD2 LYS 21 2HD LYS 21 -8.974 7.711 4.769 177 HD3 LYS 21 3HD LYS 21 -10.000 6.872 3.604 178 HE2 LYS 21 2HE LYS 21 -11.834 6.814 5.283 179 HE3 LYS 21 3HE LYS 21 -10.803 7.678 6.426 180 HZ1 LYS 21 3HZ LYS 21 -12.383 9.129 5.239 181 HZ2 LYS 21 1HZ LYS 21 -11.631 8.751 3.778 182 HZ3 LYS 21 2HZ LYS 21 -10.774 9.571 4.979 183 H PHE 22 H PHE 22 -8.132 2.599 5.499 184 HA PHE 22 HA PHE 22 -10.673 1.235 5.745 185 HB2 PHE 22 2HB PHE 22 -8.228 0.833 4.004 186 HB3 PHE 22 3HB PHE 22 -9.352 -0.512 4.172 187 HD1 PHE 22 HD1 PHE 22 -9.044 3.011 2.985 188 HD2 PHE 22 HD2 PHE 22 -11.481 -0.511 3.040 189 HE1 PHE 22 HE1 PHE 22 -10.479 3.966 1.234 190 HE2 PHE 22 HE2 PHE 22 -12.906 0.459 1.287 191 HZ PHE 22 HZ PHE 22 -12.407 2.694 0.383 192 H ILE 23 H ILE 23 -7.330 0.509 6.708 193 HA ILE 23 HA ILE 23 -7.868 -2.166 7.597 194 HB ILE 23 HB ILE 23 -5.489 -0.405 8.358 195 HG12 ILE 23 2HG1 ILE 23 -5.669 -0.516 5.899 196 HG13 ILE 23 3HG1 ILE 23 -4.281 -1.450 6.435 197 HG21 ILE 23 1HG2 ILE 23 -5.674 -2.397 9.777 198 HG22 ILE 23 2HG2 ILE 23 -4.286 -2.547 8.699 199 HG23 ILE 23 3HG2 ILE 23 -5.771 -3.436 8.351 200 HD11 ILE 23 3HD1 ILE 23 -5.463 -2.553 4.638 201 HD12 ILE 23 1HD1 ILE 23 -6.954 -2.568 5.576 202 HD13 ILE 23 2HD1 ILE 23 -5.563 -3.520 6.107 203 H SER 24 H SER 24 -7.748 1.022 9.118 204 HA SER 24 HA SER 24 -8.097 0.416 11.817 205 HB2 SER 24 2HB SER 24 -7.626 2.694 11.064 206 HB3 SER 24 3HB SER 24 -9.170 2.784 10.213 207 HG SER 24 HG SER 24 -9.141 2.190 12.954 208 H GLN 25 H GLN 25 -10.509 0.732 9.232 209 HA GLN 25 HA GLN 25 -12.809 0.180 10.853 210 HB2 GLN 25 2HB GLN 25 -12.433 0.078 7.825 211 HB3 GLN 25 3HB GLN 25 -13.989 -0.054 8.645 212 HG2 GLN 25 2HG GLN 25 -13.767 2.207 9.527 213 HG3 GLN 25 3HG GLN 25 -12.161 2.359 8.817 214 HE21 GLN 25 1HE2 GLN 25 -11.981 2.531 6.515 215 HE22 GLN 25 2HE2 GLN 25 -13.326 3.039 5.557 216 H GLY 26 H GLY 26 -10.376 -1.815 9.413 217 HA2 GLY 26 2HA GLY 26 -10.070 -4.119 9.646 218 HA3 GLY 26 3HA GLY 26 -11.726 -4.288 10.216 219 H LEU 27 H LEU 27 -11.228 -2.471 7.352 220 HA LEU 27 HA LEU 27 -12.549 -4.507 5.695 221 HB2 LEU 27 2HB LEU 27 -11.929 -1.582 5.071 222 HB3 LEU 27 3HB LEU 27 -12.881 -2.664 4.065 223 HG LEU 27 HG LEU 27 -13.674 -1.717 6.850 224 HD11 LEU 27 1HD1 LEU 27 -13.746 0.117 5.236 225 HD12 LEU 27 2HD1 LEU 27 -15.374 -0.357 5.718 226 HD13 LEU 27 3HD1 LEU 27 -14.745 -0.852 4.143 227 HD21 LEU 27 3HD2 LEU 27 -15.252 -3.373 4.843 228 HD22 LEU 27 1HD2 LEU 27 -15.872 -2.734 6.372 229 HD23 LEU 27 2HD2 LEU 27 -14.589 -3.941 6.379 230 H ASP 28 H ASP 28 -11.570 -5.492 3.968 231 HA ASP 28 HA ASP 28 -8.773 -5.178 3.422 232 HB2 ASP 28 2HB ASP 28 -10.996 -6.823 2.190 233 HB3 ASP 28 3HB ASP 28 -9.493 -6.622 1.299 234 H LEU 29 H LEU 29 -7.847 -4.324 1.585 235 HA LEU 29 HA LEU 29 -9.361 -2.636 -0.255 236 HB2 LEU 29 2HB LEU 29 -8.718 -1.180 1.691 237 HB3 LEU 29 3HB LEU 29 -7.039 -1.650 1.479 238 HG LEU 29 HG LEU 29 -7.055 -0.551 -0.787 239 HD11 LEU 29 1HD1 LEU 29 -8.875 0.956 -1.405 240 HD12 LEU 29 2HD1 LEU 29 -9.802 0.451 0.008 241 HD13 LEU 29 3HD1 LEU 29 -9.446 -0.708 -1.278 242 HD21 LEU 29 3HD2 LEU 29 -6.947 1.753 0.033 243 HD22 LEU 29 1HD2 LEU 29 -6.168 0.639 1.155 244 HD23 LEU 29 2HD2 LEU 29 -7.773 1.279 1.519 245 H GLU 30 H GLU 30 -8.070 -2.189 -2.196 246 HA GLU 30 HA GLU 30 -5.404 -3.477 -2.304 247 HB2 GLU 30 2HB GLU 30 -7.166 -4.794 -3.561 248 HB3 GLU 30 3HB GLU 30 -7.412 -3.390 -4.601 249 HG2 GLU 30 2HG GLU 30 -5.055 -3.515 -5.333 250 HG3 GLU 30 3HG GLU 30 -4.789 -4.901 -4.281 251 H VAL 31 H VAL 31 -3.903 -1.996 -2.714 252 HA VAL 31 HA VAL 31 -4.536 0.445 -4.276 253 HB VAL 31 HB VAL 31 -2.474 1.431 -3.051 254 HG11 VAL 31 1HG1 VAL 31 -4.970 0.850 -1.410 255 HG12 VAL 31 2HG1 VAL 31 -4.748 2.188 -2.544 256 HG13 VAL 31 3HG1 VAL 31 -3.788 2.119 -1.064 257 HG21 VAL 31 3HG2 VAL 31 -1.541 -0.654 -2.118 258 HG22 VAL 31 1HG2 VAL 31 -2.984 -0.878 -1.126 259 HG23 VAL 31 2HG2 VAL 31 -1.907 0.488 -0.825 260 H GLU 32 H GLU 32 -3.703 0.311 -6.255 261 HA GLU 32 HA GLU 32 -1.266 -1.291 -6.765 262 HB2 GLU 32 2HB GLU 32 -3.245 -1.967 -8.089 263 HB3 GLU 32 3HB GLU 32 -3.395 -0.332 -8.730 264 HG2 GLU 32 2HG GLU 32 -1.236 -0.543 -9.883 265 HG3 GLU 32 3HG GLU 32 -0.978 -2.136 -9.173 266 H PHE 33 H PHE 33 0.496 -0.066 -6.735 267 HA PHE 33 HA PHE 33 0.328 2.822 -7.068 268 HB2 PHE 33 2HB PHE 33 1.542 1.885 -5.120 269 HB3 PHE 33 3HB PHE 33 2.636 1.026 -6.204 270 HD1 PHE 33 HD1 PHE 33 1.415 4.567 -6.530 271 HD2 PHE 33 HD2 PHE 33 4.708 1.985 -5.613 272 HE1 PHE 33 HE1 PHE 33 2.930 6.496 -6.517 273 HE2 PHE 33 HE2 PHE 33 6.201 3.926 -5.610 274 HZ PHE 33 HZ PHE 33 5.324 6.178 -6.065 275 H ASP 34 H ASP 34 0.496 3.580 -9.035 276 HA ASP 34 HA ASP 34 1.968 2.306 -11.180 277 HB2 ASP 34 2HB ASP 34 -0.172 3.434 -11.674 278 HB3 ASP 34 3HB ASP 34 0.447 4.951 -11.037 279 H SER 35 H SER 35 4.128 2.357 -10.497 280 HA SER 35 HA SER 35 5.466 4.824 -11.215 281 HB2 SER 35 2HB SER 35 5.148 5.100 -8.753 282 HB3 SER 35 3HB SER 35 6.033 3.602 -8.480 283 HG SER 35 HG SER 35 7.026 6.007 -8.683 284 H THR 36 H THR 36 7.554 4.582 -11.773 285 HA THR 36 HA THR 36 8.779 1.893 -11.913 286 HB THR 36 HB THR 36 9.932 2.718 -13.993 287 HG1 THR 36 HG1 THR 36 8.108 4.914 -13.916 288 HG21 THR 36 3HG2 THR 36 8.007 2.671 -15.531 289 HG22 THR 36 1HG2 THR 36 6.902 2.947 -14.185 290 HG23 THR 36 2HG2 THR 36 7.822 1.439 -14.277 291 H ASP 37 H ASP 37 8.893 4.633 -10.197 292 HA ASP 37 HA ASP 37 11.732 5.299 -10.341 293 HB2 ASP 37 2HB ASP 37 9.987 7.084 -10.078 294 HB3 ASP 37 3HB ASP 37 9.502 6.372 -8.544 295 H ASP 38 H ASP 38 13.073 3.996 -9.269 296 HA ASP 38 HA ASP 38 12.698 1.969 -7.565 297 HB2 ASP 38 2HB ASP 38 15.078 3.886 -7.555 298 HB3 ASP 38 3HB ASP 38 15.064 2.346 -6.703 299 H LYS 39 H LYS 39 13.358 5.312 -6.379 300 HA LYS 39 HA LYS 39 13.291 4.764 -3.638 301 HB2 LYS 39 2HB LYS 39 12.654 7.339 -5.126 302 HB3 LYS 39 3HB LYS 39 12.616 7.227 -3.372 303 HG2 LYS 39 2HG LYS 39 15.065 6.393 -3.564 304 HG3 LYS 39 3HG LYS 39 15.001 7.033 -5.212 305 HD2 LYS 39 2HD LYS 39 15.929 8.725 -3.649 306 HD3 LYS 39 3HD LYS 39 14.398 9.270 -4.339 307 HE2 LYS 39 2HE LYS 39 13.215 8.646 -2.268 308 HE3 LYS 39 3HE LYS 39 14.713 8.028 -1.573 309 HZ1 LYS 39 3HZ LYS 39 14.269 10.852 -2.372 310 HZ2 LYS 39 1HZ LYS 39 15.619 10.232 -1.575 311 HZ3 LYS 39 2HZ LYS 39 14.126 10.267 -0.790 312 H GLU 40 H GLU 40 10.613 5.746 -5.819 313 HA GLU 40 HA GLU 40 8.788 6.265 -3.714 314 HB2 GLU 40 2HB GLU 40 8.300 5.817 -6.694 315 HB3 GLU 40 3HB GLU 40 7.065 6.350 -5.552 316 HG2 GLU 40 2HG GLU 40 9.571 7.840 -6.366 317 HG3 GLU 40 3HG GLU 40 7.897 8.284 -6.705 318 H ILE 41 H ILE 41 9.330 3.499 -5.854 319 HA ILE 41 HA ILE 41 7.282 1.785 -5.064 320 HB ILE 41 HB ILE 41 10.130 1.162 -5.996 321 HG12 ILE 41 2HG1 ILE 41 7.496 1.165 -7.560 322 HG13 ILE 41 3HG1 ILE 41 8.716 2.429 -7.646 323 HG21 ILE 41 1HG2 ILE 41 9.333 -1.114 -6.531 324 HG22 ILE 41 2HG2 ILE 41 7.761 -0.729 -5.827 325 HG23 ILE 41 3HG2 ILE 41 9.196 -0.784 -4.800 326 HD11 ILE 41 3HD1 ILE 41 10.303 0.815 -8.592 327 HD12 ILE 41 1HD1 ILE 41 8.841 0.969 -9.566 328 HD13 ILE 41 2HD1 ILE 41 9.059 -0.438 -8.524 329 H GLU 42 H GLU 42 10.621 2.135 -3.793 330 HA GLU 42 HA GLU 42 10.519 0.124 -1.803 331 HB2 GLU 42 2HB GLU 42 12.330 2.576 -1.996 332 HB3 GLU 42 3HB GLU 42 12.575 1.225 -0.883 333 HG2 GLU 42 2HG GLU 42 12.860 -0.312 -2.770 334 HG3 GLU 42 3HG GLU 42 12.575 1.010 -3.903 335 H GLU 43 H GLU 43 9.932 3.610 -1.631 336 HA GLU 43 HA GLU 43 9.615 3.800 1.154 337 HB2 GLU 43 2HB GLU 43 8.575 5.630 -1.049 338 HB3 GLU 43 3HB GLU 43 8.559 6.025 0.666 339 HG2 GLU 43 2HG GLU 43 10.990 5.638 -1.096 340 HG3 GLU 43 3HG GLU 43 10.426 7.142 -0.379 341 H PHE 44 H PHE 44 7.381 3.163 -1.477 342 HA PHE 44 HA PHE 44 4.951 3.277 -0.011 343 HB2 PHE 44 2HB PHE 44 5.026 3.482 -2.466 344 HB3 PHE 44 3HB PHE 44 5.691 1.863 -2.611 345 HD1 PHE 44 HD1 PHE 44 2.651 3.650 -1.299 346 HD2 PHE 44 HD2 PHE 44 4.220 0.093 -3.054 347 HE1 PHE 44 HE1 PHE 44 0.379 2.748 -1.550 348 HE2 PHE 44 HE2 PHE 44 1.948 -0.793 -3.303 349 HZ PHE 44 HZ PHE 44 0.026 0.533 -2.554 350 H GLU 45 H GLU 45 7.216 0.673 -0.905 351 HA GLU 45 HA GLU 45 5.824 -1.543 0.111 352 HB2 GLU 45 2HB GLU 45 8.816 -1.096 -0.259 353 HB3 GLU 45 3HB GLU 45 8.114 -2.654 0.184 354 HG2 GLU 45 2HG GLU 45 6.795 -2.634 -1.919 355 HG3 GLU 45 3HG GLU 45 7.560 -1.116 -2.361 356 H ARG 46 H ARG 46 8.489 0.305 1.624 357 HA ARG 46 HA ARG 46 8.605 -1.201 3.989 358 HB2 ARG 46 2HB ARG 46 10.093 0.539 4.846 359 HB3 ARG 46 3HB ARG 46 10.473 0.197 3.163 360 HG2 ARG 46 2HG ARG 46 9.067 2.237 2.563 361 HG3 ARG 46 3HG ARG 46 9.044 2.621 4.285 362 HD2 ARG 46 2HD ARG 46 11.554 2.321 2.602 363 HD3 ARG 46 3HD ARG 46 10.777 3.857 2.992 364 HE ARG 46 HE ARG 46 11.518 2.265 5.293 365 HH11 ARG 46 1HH1 ARG 46 12.565 4.775 3.043 366 HH12 ARG 46 2HH1 ARG 46 13.774 5.401 4.118 367 HH21 ARG 46 1HH2 ARG 46 13.137 3.075 6.675 368 HH22 ARG 46 2HH2 ARG 46 14.098 4.431 6.179 369 H ASP 47 H ASP 47 6.864 1.816 3.204 370 HA ASP 47 HA ASP 47 5.807 2.267 5.777 371 HB2 ASP 47 2HB ASP 47 5.917 3.888 3.792 372 HB3 ASP 47 3HB ASP 47 4.462 3.101 3.182 373 H MET 48 H MET 48 4.455 0.428 2.999 374 HA MET 48 HA MET 48 1.967 -0.200 4.249 375 HB2 MET 48 2HB MET 48 3.431 -1.481 1.907 376 HB3 MET 48 3HB MET 48 1.887 -2.102 2.492 377 HG2 MET 48 2HG MET 48 2.402 0.677 1.424 378 HG3 MET 48 3HG MET 48 1.521 -0.622 0.608 379 HE1 MET 48 3HE MET 48 -1.317 1.950 1.518 380 HE2 MET 48 1HE MET 48 -0.504 1.073 0.223 381 HE3 MET 48 2HE MET 48 0.341 2.361 1.083 382 H GLU 49 H GLU 49 5.079 -1.852 4.138 383 HA GLU 49 HA GLU 49 4.418 -4.205 5.527 384 HB2 GLU 49 2HB GLU 49 7.078 -2.743 5.229 385 HB3 GLU 49 3HB GLU 49 6.928 -4.313 6.019 386 HG2 GLU 49 2HG GLU 49 6.064 -5.290 3.927 387 HG3 GLU 49 3HG GLU 49 6.199 -3.719 3.135 388 H ASP 50 H ASP 50 5.487 -1.016 6.600 389 HA ASP 50 HA ASP 50 5.761 -1.637 9.367 390 HB2 ASP 50 2HB ASP 50 6.911 0.305 8.181 391 HB3 ASP 50 3HB ASP 50 5.361 1.145 8.166 392 H LEU 51 H LEU 51 3.214 -0.327 7.341 393 HA LEU 51 HA LEU 51 1.267 0.291 9.263 394 HB2 LEU 51 2HB LEU 51 1.073 0.985 6.907 395 HB3 LEU 51 3HB LEU 51 0.928 -0.688 6.395 396 HG LEU 51 HG LEU 51 -1.267 -0.833 7.651 397 HD11 LEU 51 1HD1 LEU 51 -0.884 2.150 8.055 398 HD12 LEU 51 2HD1 LEU 51 -0.928 0.908 9.313 399 HD13 LEU 51 3HD1 LEU 51 -2.374 1.253 8.367 400 HD21 LEU 51 3HD2 LEU 51 -1.247 -0.425 5.242 401 HD22 LEU 51 1HD2 LEU 51 -1.125 1.317 5.518 402 HD23 LEU 51 2HD2 LEU 51 -2.577 0.440 6.011 403 H ALA 52 H ALA 52 1.956 -2.709 7.480 404 HA ALA 52 HA ALA 52 -0.069 -4.341 8.531 405 HB1 ALA 52 3HB ALA 52 1.233 -4.886 6.523 406 HB2 ALA 52 1HB ALA 52 1.289 -6.208 7.693 407 HB3 ALA 52 2HB ALA 52 2.678 -5.131 7.513 408 H LYS 53 H LYS 53 3.235 -3.705 9.705 409 HA LYS 53 HA LYS 53 3.274 -5.359 11.975 410 HB2 LYS 53 2HB LYS 53 4.588 -2.653 11.474 411 HB3 LYS 53 3HB LYS 53 4.959 -3.667 12.863 412 HG2 LYS 53 2HG LYS 53 5.958 -5.357 11.492 413 HG3 LYS 53 3HG LYS 53 5.312 -4.633 10.015 414 HD2 LYS 53 2HD LYS 53 7.734 -4.145 10.279 415 HD3 LYS 53 3HD LYS 53 6.755 -2.683 10.284 416 HE2 LYS 53 2HE LYS 53 6.868 -2.777 12.849 417 HE3 LYS 53 3HE LYS 53 8.115 -4.009 12.645 418 HZ1 LYS 53 3HZ LYS 53 8.214 -1.219 11.618 419 HZ2 LYS 53 1HZ LYS 53 9.386 -2.395 11.327 420 HZ3 LYS 53 2HZ LYS 53 9.117 -1.852 12.903 421 H LYS 54 H LYS 54 2.442 -1.886 11.771 422 HA LYS 54 HA LYS 54 1.841 -1.400 14.445 423 HB2 LYS 54 2HB LYS 54 0.870 0.000 11.914 424 HB3 LYS 54 3HB LYS 54 0.628 0.648 13.536 425 HG2 LYS 54 2HG LYS 54 3.021 0.875 13.875 426 HG3 LYS 54 3HG LYS 54 3.357 0.045 12.353 427 HD2 LYS 54 2HD LYS 54 3.650 2.454 12.049 428 HD3 LYS 54 3HD LYS 54 2.274 1.889 11.102 429 HE2 LYS 54 2HE LYS 54 0.721 2.791 12.780 430 HE3 LYS 54 3HE LYS 54 2.078 3.287 13.794 431 HZ1 LYS 54 3HZ LYS 54 1.476 4.330 11.075 432 HZ2 LYS 54 1HZ LYS 54 2.798 4.781 12.020 433 HZ3 LYS 54 2HZ LYS 54 1.230 5.149 12.529 434 H THR 55 H THR 55 -0.277 -2.520 11.859 435 HA THR 55 HA THR 55 -2.676 -2.345 13.546 436 HB THR 55 HB THR 55 -3.905 -2.875 11.449 437 HG1 THR 55 HG1 THR 55 -1.852 -2.568 9.708 438 HG21 THR 55 3HG2 THR 55 -3.396 -0.808 10.204 439 HG22 THR 55 1HG2 THR 55 -1.847 -0.662 11.049 440 HG23 THR 55 2HG2 THR 55 -3.361 -0.495 11.940 441 H GLY 56 H GLY 56 -0.291 -4.659 12.738 442 HA2 GLY 56 2HA GLY 56 -0.068 -6.836 13.419 443 HA3 GLY 56 3HA GLY 56 -1.671 -6.767 14.136 444 H VAL 57 H VAL 57 -1.260 -5.927 10.787 445 HA VAL 57 HA VAL 57 -2.654 -8.392 9.932 446 HB VAL 57 HB VAL 57 -3.577 -7.210 8.058 447 HG11 VAL 57 1HG1 VAL 57 -3.863 -5.439 10.502 448 HG12 VAL 57 2HG1 VAL 57 -4.787 -6.905 10.152 449 HG13 VAL 57 3HG1 VAL 57 -4.958 -5.491 9.112 450 HG21 VAL 57 3HG2 VAL 57 -3.162 -4.803 7.572 451 HG22 VAL 57 1HG2 VAL 57 -1.717 -5.796 7.370 452 HG23 VAL 57 2HG2 VAL 57 -1.896 -4.786 8.806 453 H GLN 58 H GLN 58 -2.184 -8.677 7.371 454 HA GLN 58 HA GLN 58 0.748 -8.536 6.899 455 HB2 GLN 58 2HB GLN 58 -1.281 -10.462 5.675 456 HB3 GLN 58 3HB GLN 58 0.459 -10.482 5.411 457 HG2 GLN 58 2HG GLN 58 0.853 -11.116 7.720 458 HG3 GLN 58 3HG GLN 58 -0.862 -10.954 8.101 459 HE21 GLN 58 1HE2 GLN 58 0.864 -13.283 8.382 460 HE22 GLN 58 2HE2 GLN 58 0.128 -14.532 7.451 461 H ILE 59 H ILE 59 1.279 -8.410 4.446 462 HA ILE 59 HA ILE 59 -0.815 -6.999 2.875 463 HB ILE 59 HB ILE 59 0.864 -5.670 1.726 464 HG12 ILE 59 2HG1 ILE 59 2.988 -6.956 3.514 465 HG13 ILE 59 3HG1 ILE 59 2.761 -7.307 1.804 466 HG21 ILE 59 1HG2 ILE 59 1.608 -4.172 3.527 467 HG22 ILE 59 2HG2 ILE 59 1.280 -5.428 4.723 468 HG23 ILE 59 3HG2 ILE 59 -0.048 -4.718 3.804 469 HD11 ILE 59 3HD1 ILE 59 4.617 -5.801 2.133 470 HD12 ILE 59 1HD1 ILE 59 3.580 -4.644 2.968 471 HD13 ILE 59 2HD1 ILE 59 3.325 -4.989 1.252 472 H GLN 60 H GLN 60 -0.345 -7.171 0.465 473 HA GLN 60 HA GLN 60 0.900 -9.740 -0.301 474 HB2 GLN 60 2HB GLN 60 -1.454 -10.262 -0.193 475 HB3 GLN 60 3HB GLN 60 -1.915 -8.739 -0.936 476 HG2 GLN 60 2HG GLN 60 -2.239 -10.675 -2.446 477 HG3 GLN 60 3HG GLN 60 -1.128 -9.477 -3.101 478 HE21 GLN 60 1HE2 GLN 60 -0.264 -11.948 -0.682 479 HE22 GLN 60 2HE2 GLN 60 0.814 -12.801 -1.721 480 H LYS 61 H LYS 61 2.656 -8.834 -1.321 481 HA LYS 61 HA LYS 61 2.373 -6.642 -3.216 482 HB2 LYS 61 2HB LYS 61 4.798 -8.356 -2.515 483 HB3 LYS 61 3HB LYS 61 4.823 -6.975 -3.611 484 HG2 LYS 61 2HG LYS 61 4.131 -5.503 -1.720 485 HG3 LYS 61 3HG LYS 61 4.211 -6.898 -0.637 486 HD2 LYS 61 2HD LYS 61 6.632 -7.144 -1.154 487 HD3 LYS 61 3HD LYS 61 6.547 -5.746 -2.229 488 HE2 LYS 61 2HE LYS 61 6.001 -4.300 -0.320 489 HE3 LYS 61 3HE LYS 61 6.013 -5.696 0.762 490 HZ1 LYS 61 3HZ LYS 61 8.341 -4.740 -0.812 491 HZ2 LYS 61 1HZ LYS 61 8.338 -6.025 0.279 492 HZ3 LYS 61 2HZ LYS 61 8.094 -4.442 0.829 493 H GLN 62 H GLN 62 1.806 -6.987 -5.234 494 HA GLN 62 HA GLN 62 2.384 -9.519 -6.635 495 HB2 GLN 62 2HB GLN 62 -0.011 -9.471 -5.795 496 HB3 GLN 62 3HB GLN 62 -0.269 -7.979 -6.689 497 HG2 GLN 62 2HG GLN 62 -1.228 -9.849 -7.911 498 HG3 GLN 62 3HG GLN 62 0.142 -9.206 -8.816 499 HE21 GLN 62 1HE2 GLN 62 -0.993 -11.892 -6.858 500 HE22 GLN 62 2HE2 GLN 62 0.249 -12.998 -7.326 501 H TRP 63 H TRP 63 3.857 -8.759 -8.113 502 HA TRP 63 HA TRP 63 3.691 -6.117 -9.278 503 HB2 TRP 63 2HB TRP 63 5.486 -8.508 -9.878 504 HB3 TRP 63 3HB TRP 63 5.603 -6.964 -10.723 505 HD1 TRP 63 HD1 TRP 63 6.351 -8.541 -7.276 506 HE1 TRP 63 HE1 TRP 63 7.853 -6.917 -5.964 507 HE3 TRP 63 HE3 TRP 63 6.187 -4.483 -10.435 508 HZ2 TRP 63 HZ2 TRP 63 8.837 -4.286 -6.212 509 HZ3 TRP 63 HZ3 TRP 63 7.437 -2.451 -9.809 510 HH2 TRP 63 HH2 TRP 63 8.733 -2.362 -7.739 511 H GLN 64 H GLN 64 2.146 -5.680 -10.672 512 HA GLN 64 HA GLN 64 1.211 -7.650 -12.672 513 HB2 GLN 64 2HB GLN 64 -0.436 -6.371 -11.036 514 HB3 GLN 64 3HB GLN 64 -0.126 -4.961 -12.033 515 HG2 GLN 64 2HG GLN 64 -1.327 -7.576 -13.024 516 HG3 GLN 64 3HG GLN 64 -2.246 -6.147 -12.596 517 HE21 GLN 64 1HE2 GLN 64 -0.150 -7.590 -14.977 518 HE22 GLN 64 2HE2 GLN 64 -0.407 -6.418 -16.216 519 H GLY 65 H GLY 65 2.812 -7.437 -14.232 520 HA2 GLY 65 2HA GLY 65 4.331 -6.524 -15.685 521 HA3 GLY 65 3HA GLY 65 3.406 -5.022 -15.630 522 H ASN 66 H ASN 66 4.874 -3.428 -15.118 523 HA ASN 66 HA ASN 66 6.630 -3.779 -12.761 524 HB2 ASN 66 2HB ASN 66 7.580 -2.936 -14.988 525 HB3 ASN 66 3HB ASN 66 6.638 -1.464 -14.761 526 HD21 ASN 66 1HD2 ASN 66 8.587 -0.242 -14.732 527 HD22 ASN 66 2HD2 ASN 66 9.620 -0.222 -13.345 528 H LYS 67 H LYS 67 3.655 -3.427 -12.668 529 HA LYS 67 HA LYS 67 3.408 -0.886 -11.162 530 HB2 LYS 67 2HB LYS 67 1.199 -2.868 -11.911 531 HB3 LYS 67 3HB LYS 67 0.975 -1.300 -11.148 532 HG2 LYS 67 2HG LYS 67 1.961 -1.756 -13.986 533 HG3 LYS 67 3HG LYS 67 0.312 -1.348 -13.528 534 HD2 LYS 67 2HD LYS 67 1.095 0.740 -14.158 535 HD3 LYS 67 3HD LYS 67 1.453 0.793 -12.433 536 HE2 LYS 67 2HE LYS 67 3.796 0.263 -12.880 537 HE3 LYS 67 3HE LYS 67 3.449 0.035 -14.593 538 HZ1 LYS 67 3HZ LYS 67 3.313 2.582 -13.079 539 HZ2 LYS 67 1HZ LYS 67 2.768 2.392 -14.668 540 HZ3 LYS 67 2HZ LYS 67 4.401 2.168 -14.301 541 H LEU 68 H LEU 68 3.565 -1.040 -8.944 542 HA LEU 68 HA LEU 68 3.771 -3.673 -7.728 543 HB2 LEU 68 2HB LEU 68 5.430 -1.969 -7.149 544 HB3 LEU 68 3HB LEU 68 4.162 -0.869 -6.628 545 HG LEU 68 HG LEU 68 3.600 -2.408 -4.741 546 HD11 LEU 68 1HD1 LEU 68 4.291 -4.551 -5.714 547 HD12 LEU 68 2HD1 LEU 68 5.067 -4.285 -4.155 548 HD13 LEU 68 3HD1 LEU 68 5.984 -4.053 -5.647 549 HD21 LEU 68 3HD2 LEU 68 6.528 -1.664 -4.805 550 HD22 LEU 68 1HD2 LEU 68 5.511 -1.882 -3.377 551 HD23 LEU 68 2HD2 LEU 68 5.203 -0.542 -4.482 552 H ARG 69 H ARG 69 1.667 -4.384 -7.907 553 HA ARG 69 HA ARG 69 -0.581 -2.922 -6.761 554 HB2 ARG 69 2HB ARG 69 -0.969 -4.142 -8.826 555 HB3 ARG 69 3HB ARG 69 -0.249 -5.599 -8.163 556 HG2 ARG 69 2HG ARG 69 -2.210 -5.722 -6.555 557 HG3 ARG 69 3HG ARG 69 -2.945 -4.405 -7.476 558 HD2 ARG 69 2HD ARG 69 -3.006 -5.757 -9.492 559 HD3 ARG 69 3HD ARG 69 -2.048 -7.033 -8.722 560 HE ARG 69 HE ARG 69 -4.596 -6.391 -7.487 561 HH11 ARG 69 1HH1 ARG 69 -2.873 -8.573 -9.636 562 HH12 ARG 69 2HH1 ARG 69 -4.065 -9.821 -9.502 563 HH21 ARG 69 1HH2 ARG 69 -6.141 -7.987 -7.321 564 HH22 ARG 69 2HH2 ARG 69 -5.945 -9.488 -8.173 565 H ILE 70 H ILE 70 -0.676 -2.925 -4.584 566 HA ILE 70 HA ILE 70 -0.011 -5.399 -3.098 567 HB ILE 70 HB ILE 70 0.175 -2.524 -2.093 568 HG12 ILE 70 2HG1 ILE 70 2.301 -4.631 -2.689 569 HG13 ILE 70 3HG1 ILE 70 2.087 -3.084 -3.494 570 HG21 ILE 70 1HG2 ILE 70 0.686 -5.105 -0.557 571 HG22 ILE 70 2HG2 ILE 70 -0.660 -3.995 -0.289 572 HG23 ILE 70 3HG2 ILE 70 0.990 -3.474 0.050 573 HD11 ILE 70 3HD1 ILE 70 3.039 -3.514 -0.659 574 HD12 ILE 70 1HD1 ILE 70 2.748 -1.941 -1.411 575 HD13 ILE 70 2HD1 ILE 70 3.996 -3.007 -2.051 576 H ARG 71 H ARG 71 -1.755 -6.431 -2.338 577 HA ARG 71 HA ARG 71 -4.197 -4.939 -1.719 578 HB2 ARG 71 2HB ARG 71 -4.562 -6.999 -2.975 579 HB3 ARG 71 3HB ARG 71 -3.647 -7.932 -1.792 580 HG2 ARG 71 2HG ARG 71 -5.355 -7.537 -0.090 581 HG3 ARG 71 3HG ARG 71 -6.245 -6.480 -1.180 582 HD2 ARG 71 2HD ARG 71 -6.865 -8.327 -2.583 583 HD3 ARG 71 3HD ARG 71 -5.765 -9.417 -1.732 584 HE ARG 71 HE ARG 71 -7.271 -8.844 0.302 585 HH11 ARG 71 1HH1 ARG 71 -8.446 -9.186 -2.991 586 HH12 ARG 71 2HH1 ARG 71 -10.030 -9.694 -2.498 587 HH21 ARG 71 1HH2 ARG 71 -9.361 -9.525 0.927 588 HH22 ARG 71 2HH2 ARG 71 -10.536 -9.881 -0.289 589 H LEU 72 H LEU 72 -4.645 -4.373 0.221 590 HA LEU 72 HA LEU 72 -3.039 -5.169 2.559 591 HB2 LEU 72 2HB LEU 72 -4.922 -2.828 2.063 592 HB3 LEU 72 3HB LEU 72 -3.956 -3.063 3.516 593 HG LEU 72 HG LEU 72 -2.766 -2.667 0.739 594 HD11 LEU 72 1HD1 LEU 72 -2.288 -0.379 1.409 595 HD12 LEU 72 2HD1 LEU 72 -3.154 -0.622 2.928 596 HD13 LEU 72 3HD1 LEU 72 -4.022 -0.693 1.391 597 HD21 LEU 72 3HD2 LEU 72 -1.252 -3.834 2.260 598 HD22 LEU 72 1HD2 LEU 72 -1.471 -2.586 3.489 599 HD23 LEU 72 2HD2 LEU 72 -0.673 -2.197 1.960 600 H LYS 73 H LYS 73 -4.019 -6.404 4.066 601 HA LYS 73 HA LYS 73 -6.923 -6.926 3.816 602 HB2 LYS 73 2HB LYS 73 -6.311 -9.139 4.945 603 HB3 LYS 73 3HB LYS 73 -5.728 -8.911 3.302 604 HG2 LYS 73 2HG LYS 73 -3.511 -8.122 4.431 605 HG3 LYS 73 3HG LYS 73 -4.154 -8.902 5.877 606 HD2 LYS 73 2HD LYS 73 -2.735 -10.497 4.770 607 HD3 LYS 73 3HD LYS 73 -4.392 -11.034 4.519 608 HE2 LYS 73 2HE LYS 73 -4.357 -10.098 2.244 609 HE3 LYS 73 3HE LYS 73 -2.724 -9.479 2.509 610 HZ1 LYS 73 3HZ LYS 73 -1.936 -11.739 2.740 611 HZ2 LYS 73 1HZ LYS 73 -2.736 -11.562 1.262 612 HZ3 LYS 73 2HZ LYS 73 -3.492 -12.350 2.552 613 H GLY 74 H GLY 74 -8.227 -6.584 5.568 614 HA2 GLY 74 2HA GLY 74 -7.035 -4.943 7.706 615 HA3 GLY 74 3HA GLY 74 -8.713 -4.914 7.178 616 H SER 75 H SER 75 -9.366 -7.602 7.216 617 HA SER 75 HA SER 75 -9.277 -8.214 10.116 618 HB2 SER 75 2HB SER 75 -11.559 -7.611 9.212 619 HB3 SER 75 3HB SER 75 -11.458 -8.981 8.104 620 HG SER 75 HG SER 75 -12.405 -9.936 9.759 621 H LEU 76 H LEU 76 -7.997 -9.891 10.545 622 HA LEU 76 HA LEU 76 -7.805 -12.203 8.699 623 HB2 LEU 76 2HB LEU 76 -5.516 -10.951 10.298 624 HB3 LEU 76 3HB LEU 76 -5.417 -12.514 9.512 625 HG LEU 76 HG LEU 76 -4.274 -11.038 8.065 626 HD11 LEU 76 1HD1 LEU 76 -5.808 -12.565 6.892 627 HD12 LEU 76 2HD1 LEU 76 -5.558 -11.074 5.995 628 HD13 LEU 76 3HD1 LEU 76 -7.057 -11.316 6.889 629 HD21 LEU 76 3HD2 LEU 76 -5.119 -8.870 7.288 630 HD22 LEU 76 1HD2 LEU 76 -5.019 -8.911 9.045 631 HD23 LEU 76 2HD2 LEU 76 -6.582 -9.071 8.248 632 H GLU 77 H GLU 77 -7.025 -14.143 9.755 633 HA GLU 77 HA GLU 77 -8.000 -14.581 12.491 634 HB2 GLU 77 2HB GLU 77 -6.910 -16.548 10.400 635 HB3 GLU 77 3HB GLU 77 -7.666 -16.989 11.933 636 HG2 GLU 77 2HG GLU 77 -9.802 -16.046 11.183 637 HG3 GLU 77 3HG GLU 77 -9.057 -15.509 9.676 638 H HIS 78 H HIS 78 -6.117 -12.951 12.900 639 HA HIS 78 HA HIS 78 -3.403 -13.897 12.775 640 HB2 HIS 78 2HB HIS 78 -4.144 -11.434 12.754 641 HB3 HIS 78 3HB HIS 78 -4.471 -11.587 14.472 642 HD1 HIS 78 HD1 HIS 78 -2.631 -10.592 15.778 643 HD2 HIS 78 HD2 HIS 78 -1.251 -12.333 12.272 644 HE1 HIS 78 HE1 HIS 78 -0.153 -10.230 15.773 645 HE2 HIS 78 HE2 HIS 78 0.641 -11.235 13.619 646 H HIS 79 H HIS 79 -3.201 -15.799 13.830 647 HA HIS 79 HA HIS 79 -4.903 -16.733 15.818 648 HB2 HIS 79 2HB HIS 79 -2.270 -17.819 14.777 649 HB3 HIS 79 3HB HIS 79 -3.221 -18.685 15.976 650 HD1 HIS 79 HD1 HIS 79 -5.591 -19.539 15.227 651 HD2 HIS 79 HD2 HIS 79 -3.202 -18.089 12.145 652 HE1 HIS 79 HE1 HIS 79 -6.648 -20.357 13.105 653 HE2 HIS 79 HE2 HIS 79 -5.302 -19.293 11.275 654 H HIS 80 H HIS 80 -4.946 -15.375 17.537 655 HA HIS 80 HA HIS 80 -3.670 -16.329 19.838 656 HB2 HIS 80 2HB HIS 80 -2.403 -13.886 18.684 657 HB3 HIS 80 3HB HIS 80 -2.914 -13.672 20.348 658 HD1 HIS 80 HD1 HIS 80 -0.270 -15.163 18.298 659 HD2 HIS 80 HD2 HIS 80 -1.597 -15.442 22.223 660 HE1 HIS 80 HE1 HIS 80 1.594 -16.250 19.574 661 HE2 HIS 80 HE2 HIS 80 0.697 -16.569 21.893 662 H HIS 81 H HIS 81 -4.791 -15.612 21.713 663 HA HIS 81 HA HIS 81 -7.481 -14.720 21.282 664 HB2 HIS 81 2HB HIS 81 -5.897 -15.271 23.832 665 HB3 HIS 81 3HB HIS 81 -7.586 -14.768 23.855 666 HD1 HIS 81 HD1 HIS 81 -8.863 -16.812 24.493 667 HD2 HIS 81 HD2 HIS 81 -5.945 -17.663 21.655 668 HE1 HIS 81 HE1 HIS 81 -9.155 -19.243 23.926 669 HE2 HIS 81 HE2 HIS 81 -7.324 -19.744 22.280 670 H HIS 82 H HIS 82 -7.664 -12.695 20.537 671 HA HIS 82 HA HIS 82 -6.576 -10.395 22.010 672 HB2 HIS 82 2HB HIS 82 -4.832 -10.835 20.364 673 HB3 HIS 82 3HB HIS 82 -6.012 -11.044 19.079 674 HD1 HIS 82 HD1 HIS 82 -4.160 -8.407 20.997 675 HD2 HIS 82 HD2 HIS 82 -6.988 -8.622 17.956 676 HE1 HIS 82 HE1 HIS 82 -4.206 -6.128 19.944 677 HE2 HIS 82 HE2 HIS 82 -5.946 -6.283 18.137 678 H HIS 83 H HIS 83 -8.212 -9.033 22.323 679 HA HIS 83 HA HIS 83 -10.047 -8.247 20.239 680 HB2 HIS 83 2HB HIS 83 -11.180 -10.301 21.062 681 HB3 HIS 83 3HB HIS 83 -11.139 -9.683 22.714 682 HD1 HIS 83 HD1 HIS 83 -12.796 -7.702 23.273 683 HD2 HIS 83 HD2 HIS 83 -13.208 -9.234 19.424 684 HE1 HIS 83 HE1 HIS 83 -14.977 -6.804 22.408 685 HE2 HIS 83 HE2 HIS 83 -15.292 -7.909 20.179 Start of MODEL 17 1 H1 MET 1 1H MET 1 -22.226 -6.886 3.299 2 H2 MET 1 2H MET 1 -20.744 -7.318 3.989 3 H3 MET 1 3H MET 1 -21.256 -8.056 2.556 4 HA MET 1 HA MET 1 -21.085 -6.019 1.356 5 HB2 MET 1 2HB MET 1 -20.249 -4.870 4.052 6 HB3 MET 1 3HB MET 1 -20.050 -4.011 2.528 7 HG2 MET 1 2HG MET 1 -22.680 -4.874 3.766 8 HG3 MET 1 3HG MET 1 -22.044 -3.230 3.700 9 HE1 MET 1 3HE MET 1 -22.215 -2.528 -0.210 10 HE2 MET 1 1HE MET 1 -20.831 -3.139 0.693 11 HE3 MET 1 2HE MET 1 -21.810 -1.829 1.359 12 H GLY 2 H GLY 2 -19.696 -7.586 0.427 13 HA2 GLY 2 2HA GLY 2 -16.889 -7.694 1.406 14 HA3 GLY 2 3HA GLY 2 -17.710 -8.971 0.523 15 H LEU 3 H LEU 3 -15.698 -6.275 0.263 16 HA LEU 3 HA LEU 3 -15.490 -6.567 -2.615 17 HB2 LEU 3 2HB LEU 3 -15.802 -4.233 -3.180 18 HB3 LEU 3 3HB LEU 3 -17.254 -4.817 -2.394 19 HG LEU 3 HG LEU 3 -15.147 -3.075 -1.021 20 HD11 LEU 3 1HD1 LEU 3 -16.712 -1.201 -1.257 21 HD12 LEU 3 2HD1 LEU 3 -17.818 -2.220 -2.183 22 HD13 LEU 3 3HD1 LEU 3 -16.225 -1.827 -2.832 23 HD21 LEU 3 3HD2 LEU 3 -16.437 -4.417 0.593 24 HD22 LEU 3 1HD2 LEU 3 -17.949 -3.808 -0.084 25 HD23 LEU 3 2HD2 LEU 3 -16.835 -2.706 0.733 26 H THR 4 H THR 4 -13.536 -5.864 -3.428 27 HA THR 4 HA THR 4 -11.595 -4.534 -1.663 28 HB THR 4 HB THR 4 -10.994 -7.065 -3.274 29 HG1 THR 4 HG1 THR 4 -11.355 -6.488 -0.533 30 HG21 THR 4 3HG2 THR 4 -8.711 -6.924 -2.368 31 HG22 THR 4 1HG2 THR 4 -9.099 -5.408 -1.559 32 HG23 THR 4 2HG2 THR 4 -9.065 -5.483 -3.323 33 H ARG 5 H ARG 5 -11.906 -2.675 -2.768 34 HA ARG 5 HA ARG 5 -11.846 -2.451 -5.648 35 HB2 ARG 5 2HB ARG 5 -12.056 -0.038 -5.298 36 HB3 ARG 5 3HB ARG 5 -13.200 -0.890 -4.267 37 HG2 ARG 5 2HG ARG 5 -11.813 -0.508 -2.307 38 HG3 ARG 5 3HG ARG 5 -10.529 0.186 -3.299 39 HD2 ARG 5 2HD ARG 5 -13.309 1.374 -2.958 40 HD3 ARG 5 3HD ARG 5 -11.858 1.910 -2.111 41 HE ARG 5 HE ARG 5 -10.974 2.746 -4.149 42 HH11 ARG 5 1HH1 ARG 5 -14.317 1.681 -4.503 43 HH12 ARG 5 2HH1 ARG 5 -14.566 2.595 -5.957 44 HH21 ARG 5 1HH2 ARG 5 -11.336 3.932 -6.039 45 HH22 ARG 5 2HH2 ARG 5 -12.886 3.862 -6.823 46 H THR 6 H THR 6 -10.323 -0.673 -6.580 47 HA THR 6 HA THR 6 -7.555 -1.170 -5.678 48 HB THR 6 HB THR 6 -8.529 -0.959 -8.563 49 HG1 THR 6 HG1 THR 6 -8.461 -3.067 -6.929 50 HG21 THR 6 3HG2 THR 6 -5.735 -1.485 -7.462 51 HG22 THR 6 1HG2 THR 6 -6.261 -0.005 -8.275 52 HG23 THR 6 2HG2 THR 6 -6.196 -1.528 -9.163 53 H ILE 7 H ILE 7 -6.664 0.651 -5.047 54 HA ILE 7 HA ILE 7 -7.472 3.265 -6.159 55 HB ILE 7 HB ILE 7 -5.806 2.727 -3.642 56 HG12 ILE 7 2HG1 ILE 7 -8.803 3.312 -3.813 57 HG13 ILE 7 3HG1 ILE 7 -8.091 1.766 -3.372 58 HG21 ILE 7 1HG2 ILE 7 -5.483 4.975 -4.626 59 HG22 ILE 7 2HG2 ILE 7 -6.297 5.070 -3.065 60 HG23 ILE 7 3HG2 ILE 7 -7.226 5.265 -4.555 61 HD11 ILE 7 3HD1 ILE 7 -7.154 2.764 -1.353 62 HD12 ILE 7 1HD1 ILE 7 -8.903 2.960 -1.432 63 HD13 ILE 7 2HD1 ILE 7 -7.851 4.327 -1.792 64 H THR 8 H THR 8 -6.200 3.703 -7.892 65 HA THR 8 HA THR 8 -3.389 2.758 -7.976 66 HB THR 8 HB THR 8 -3.533 3.261 -10.461 67 HG1 THR 8 HG1 THR 8 -5.188 4.537 -10.888 68 HG21 THR 8 3HG2 THR 8 -5.599 1.253 -9.496 69 HG22 THR 8 1HG2 THR 8 -3.870 0.936 -9.678 70 HG23 THR 8 2HG2 THR 8 -4.858 1.286 -11.097 71 H SER 9 H SER 9 -2.112 4.326 -7.167 72 HA SER 9 HA SER 9 -2.454 7.100 -8.121 73 HB2 SER 9 2HB SER 9 -3.443 7.016 -5.854 74 HB3 SER 9 3HB SER 9 -1.952 6.326 -5.213 75 HG SER 9 HG SER 9 -2.567 8.899 -5.642 76 H GLN 10 H GLN 10 -0.635 8.228 -8.404 77 HA GLN 10 HA GLN 10 1.910 6.838 -8.589 78 HB2 GLN 10 2HB GLN 10 1.080 9.688 -9.312 79 HB3 GLN 10 3HB GLN 10 2.624 8.945 -9.725 80 HG2 GLN 10 2HG GLN 10 1.500 7.326 -11.176 81 HG3 GLN 10 3HG GLN 10 -0.077 7.945 -10.690 82 HE21 GLN 10 1HE2 GLN 10 -0.507 8.261 -12.939 83 HE22 GLN 10 2HE2 GLN 10 0.111 9.651 -13.759 84 H ASN 11 H ASN 11 0.323 8.273 -6.091 85 HA ASN 11 HA ASN 11 2.799 9.120 -4.702 86 HB2 ASN 11 2HB ASN 11 1.277 11.035 -5.045 87 HB3 ASN 11 3HB ASN 11 -0.063 10.136 -4.335 88 HD21 ASN 11 1HD2 ASN 11 -0.406 11.652 -2.681 89 HD22 ASN 11 2HD2 ASN 11 0.710 11.889 -1.377 90 H LYS 12 H LYS 12 3.366 7.632 -3.241 91 HA LYS 12 HA LYS 12 1.536 5.609 -2.304 92 HB2 LYS 12 2HB LYS 12 3.522 4.688 -1.034 93 HB3 LYS 12 3HB LYS 12 3.703 4.794 -2.771 94 HG2 LYS 12 2HG LYS 12 5.795 5.394 -1.855 95 HG3 LYS 12 3HG LYS 12 5.067 6.897 -2.417 96 HD2 LYS 12 2HD LYS 12 4.483 7.523 -0.129 97 HD3 LYS 12 3HD LYS 12 5.041 5.961 0.482 98 HE2 LYS 12 2HE LYS 12 6.668 7.802 0.877 99 HE3 LYS 12 3HE LYS 12 7.333 6.500 -0.100 100 HZ1 LYS 12 3HZ LYS 12 7.990 8.558 -1.053 101 HZ2 LYS 12 1HZ LYS 12 6.406 9.151 -1.056 102 HZ3 LYS 12 2HZ LYS 12 6.835 7.884 -2.084 103 H GLU 13 H GLU 13 2.321 8.709 -1.098 104 HA GLU 13 HA GLU 13 2.219 8.249 1.716 105 HB2 GLU 13 2HB GLU 13 1.487 10.802 0.209 106 HB3 GLU 13 3HB GLU 13 1.895 10.680 1.921 107 HG2 GLU 13 2HG GLU 13 4.190 10.042 1.354 108 HG3 GLU 13 3HG GLU 13 3.795 10.069 -0.363 109 H GLU 14 H GLU 14 -0.210 9.524 -0.576 110 HA GLU 14 HA GLU 14 -2.396 9.551 1.206 111 HB2 GLU 14 2HB GLU 14 -3.805 9.774 -0.847 112 HB3 GLU 14 3HB GLU 14 -2.461 10.910 -0.791 113 HG2 GLU 14 2HG GLU 14 -1.190 9.488 -2.355 114 HG3 GLU 14 3HG GLU 14 -2.540 8.353 -2.414 115 H LEU 15 H LEU 15 -1.046 7.036 -0.848 116 HA LEU 15 HA LEU 15 -3.175 5.184 -0.726 117 HB2 LEU 15 2HB LEU 15 -0.183 4.737 -1.069 118 HB3 LEU 15 3HB LEU 15 -1.359 3.433 -1.167 119 HG LEU 15 HG LEU 15 -1.244 5.843 -3.032 120 HD11 LEU 15 1HD1 LEU 15 -0.534 2.951 -3.598 121 HD12 LEU 15 2HD1 LEU 15 0.605 4.291 -3.446 122 HD13 LEU 15 3HD1 LEU 15 -0.552 4.272 -4.774 123 HD21 LEU 15 3HD2 LEU 15 -2.978 4.693 -4.345 124 HD22 LEU 15 1HD2 LEU 15 -3.548 5.092 -2.726 125 HD23 LEU 15 2HD2 LEU 15 -3.086 3.435 -3.115 126 H LEU 16 H LEU 16 -0.595 5.995 1.561 127 HA LEU 16 HA LEU 16 -0.985 3.797 3.395 128 HB2 LEU 16 2HB LEU 16 0.300 6.529 3.804 129 HB3 LEU 16 3HB LEU 16 0.363 5.228 4.982 130 HG LEU 16 HG LEU 16 1.538 4.993 2.193 131 HD11 LEU 16 1HD1 LEU 16 2.987 5.739 4.753 132 HD12 LEU 16 2HD1 LEU 16 2.648 6.821 3.399 133 HD13 LEU 16 3HD1 LEU 16 3.724 5.446 3.174 134 HD21 LEU 16 3HD2 LEU 16 0.998 2.857 3.298 135 HD22 LEU 16 1HD2 LEU 16 1.980 3.321 4.690 136 HD23 LEU 16 2HD2 LEU 16 2.733 3.073 3.111 137 H GLU 17 H GLU 17 -2.065 7.164 3.225 138 HA GLU 17 HA GLU 17 -3.263 7.311 5.803 139 HB2 GLU 17 2HB GLU 17 -3.740 9.032 3.331 140 HB3 GLU 17 3HB GLU 17 -4.183 9.470 4.982 141 HG2 GLU 17 2HG GLU 17 -1.823 9.499 5.644 142 HG3 GLU 17 3HG GLU 17 -1.338 8.964 4.037 143 H ILE 18 H ILE 18 -4.643 6.788 2.572 144 HA ILE 18 HA ILE 18 -7.390 6.509 3.416 145 HB ILE 18 HB ILE 18 -6.088 5.616 0.786 146 HG12 ILE 18 2HG1 ILE 18 -7.514 8.271 1.316 147 HG13 ILE 18 3HG1 ILE 18 -5.765 8.089 1.351 148 HG21 ILE 18 1HG2 ILE 18 -8.363 5.793 -0.178 149 HG22 ILE 18 2HG2 ILE 18 -9.008 6.204 1.413 150 HG23 ILE 18 3HG2 ILE 18 -8.311 4.608 1.132 151 HD11 ILE 18 3HD1 ILE 18 -5.758 7.462 -0.996 152 HD12 ILE 18 1HD1 ILE 18 -6.533 9.027 -0.753 153 HD13 ILE 18 2HD1 ILE 18 -7.519 7.597 -1.055 154 H ALA 19 H ALA 19 -4.650 4.303 2.790 155 HA ALA 19 HA ALA 19 -5.837 1.791 3.009 156 HB1 ALA 19 3HB ALA 19 -3.488 2.061 2.473 157 HB2 ALA 19 1HB ALA 19 -3.648 1.026 3.890 158 HB3 ALA 19 2HB ALA 19 -3.155 2.712 4.077 159 H LEU 20 H LEU 20 -4.381 3.739 5.575 160 HA LEU 20 HA LEU 20 -4.785 2.211 7.822 161 HB2 LEU 20 2HB LEU 20 -3.408 4.271 7.707 162 HB3 LEU 20 3HB LEU 20 -4.854 5.244 7.508 163 HG LEU 20 HG LEU 20 -5.558 4.493 9.855 164 HD11 LEU 20 1HD1 LEU 20 -4.159 2.506 10.053 165 HD12 LEU 20 2HD1 LEU 20 -3.847 3.634 11.367 166 HD13 LEU 20 3HD1 LEU 20 -2.702 3.503 10.029 167 HD21 LEU 20 3HD2 LEU 20 -3.001 6.119 9.645 168 HD22 LEU 20 1HD2 LEU 20 -4.127 6.118 11.006 169 HD23 LEU 20 2HD2 LEU 20 -4.644 6.730 9.438 170 H LYS 21 H LYS 21 -6.980 4.415 6.220 171 HA LYS 21 HA LYS 21 -9.104 4.490 8.085 172 HB2 LYS 21 2HB LYS 21 -8.879 6.233 6.460 173 HB3 LYS 21 3HB LYS 21 -8.858 5.093 5.122 174 HG2 LYS 21 2HG LYS 21 -11.215 4.628 5.392 175 HG3 LYS 21 3HG LYS 21 -11.284 5.602 6.868 176 HD2 LYS 21 2HD LYS 21 -10.824 7.643 5.598 177 HD3 LYS 21 3HD LYS 21 -10.567 6.710 4.119 178 HE2 LYS 21 2HE LYS 21 -12.879 6.098 4.011 179 HE3 LYS 21 3HE LYS 21 -13.195 6.739 5.624 180 HZ1 LYS 21 3HZ LYS 21 -12.410 8.364 3.269 181 HZ2 LYS 21 1HZ LYS 21 -12.780 8.957 4.805 182 HZ3 LYS 21 2HZ LYS 21 -13.980 8.218 3.872 183 H PHE 22 H PHE 22 -8.546 2.447 5.176 184 HA PHE 22 HA PHE 22 -11.067 1.056 5.329 185 HB2 PHE 22 2HB PHE 22 -8.521 0.603 3.742 186 HB3 PHE 22 3HB PHE 22 -9.769 -0.638 3.761 187 HD1 PHE 22 HD1 PHE 22 -9.534 3.099 3.220 188 HD2 PHE 22 HD2 PHE 22 -11.300 -0.596 1.984 189 HE1 PHE 22 HE1 PHE 22 -10.702 4.265 1.395 190 HE2 PHE 22 HE2 PHE 22 -12.459 0.582 0.163 191 HZ PHE 22 HZ PHE 22 -12.165 3.008 -0.133 192 H ILE 23 H ILE 23 -7.773 0.350 6.427 193 HA ILE 23 HA ILE 23 -8.231 -2.322 7.303 194 HB ILE 23 HB ILE 23 -6.015 -0.366 8.101 195 HG12 ILE 23 2HG1 ILE 23 -6.054 -0.755 5.649 196 HG13 ILE 23 3HG1 ILE 23 -4.617 -1.460 6.374 197 HG21 ILE 23 1HG2 ILE 23 -4.696 -2.383 8.707 198 HG22 ILE 23 2HG2 ILE 23 -6.117 -3.387 8.415 199 HG23 ILE 23 3HG2 ILE 23 -6.135 -2.189 9.711 200 HD11 ILE 23 3HD1 ILE 23 -5.665 -3.681 6.238 201 HD12 ILE 23 1HD1 ILE 23 -5.522 -2.892 4.669 202 HD13 ILE 23 2HD1 ILE 23 -7.083 -2.949 5.481 203 H SER 24 H SER 24 -8.410 0.876 8.821 204 HA SER 24 HA SER 24 -8.827 0.223 11.501 205 HB2 SER 24 2HB SER 24 -8.480 2.526 10.727 206 HB3 SER 24 3HB SER 24 -10.028 2.510 9.885 207 HG SER 24 HG SER 24 -9.469 2.673 12.623 208 H GLN 25 H GLN 25 -11.034 0.045 8.787 209 HA GLN 25 HA GLN 25 -13.372 -0.616 10.443 210 HB2 GLN 25 2HB GLN 25 -13.080 -0.248 7.429 211 HB3 GLN 25 3HB GLN 25 -14.602 -0.485 8.287 212 HG2 GLN 25 2HG GLN 25 -14.368 1.658 9.405 213 HG3 GLN 25 3HG GLN 25 -12.756 1.881 8.725 214 HE21 GLN 25 1HE2 GLN 25 -12.547 2.437 6.541 215 HE22 GLN 25 2HE2 GLN 25 -13.878 3.001 5.597 216 H GLY 26 H GLY 26 -10.779 -2.267 9.276 217 HA2 GLY 26 2HA GLY 26 -10.301 -4.515 9.170 218 HA3 GLY 26 3HA GLY 26 -11.994 -4.872 9.484 219 H LEU 27 H LEU 27 -11.216 -2.766 6.868 220 HA LEU 27 HA LEU 27 -12.495 -4.580 4.983 221 HB2 LEU 27 2HB LEU 27 -11.628 -1.677 4.682 222 HB3 LEU 27 3HB LEU 27 -12.446 -2.597 3.425 223 HG LEU 27 HG LEU 27 -13.621 -1.915 6.149 224 HD11 LEU 27 1HD1 LEU 27 -14.284 -0.743 3.433 225 HD12 LEU 27 2HD1 LEU 27 -13.422 0.070 4.742 226 HD13 LEU 27 3HD1 LEU 27 -15.108 -0.389 4.957 227 HD21 LEU 27 3HD2 LEU 27 -14.496 -4.044 5.325 228 HD22 LEU 27 1HD2 LEU 27 -14.924 -3.302 3.781 229 HD23 LEU 27 2HD2 LEU 27 -15.740 -2.800 5.266 230 H ASP 28 H ASP 28 -11.465 -5.743 3.529 231 HA ASP 28 HA ASP 28 -8.609 -5.636 3.109 232 HB2 ASP 28 2HB ASP 28 -10.724 -7.291 1.639 233 HB3 ASP 28 3HB ASP 28 -8.982 -7.568 1.620 234 H LEU 29 H LEU 29 -7.590 -4.930 1.183 235 HA LEU 29 HA LEU 29 -9.081 -3.167 -0.626 236 HB2 LEU 29 2HB LEU 29 -8.757 -1.772 1.382 237 HB3 LEU 29 3HB LEU 29 -7.054 -2.190 1.445 238 HG LEU 29 HG LEU 29 -6.695 -0.935 -0.704 239 HD11 LEU 29 1HD1 LEU 29 -8.429 0.565 -1.559 240 HD12 LEU 29 2HD1 LEU 29 -9.586 -0.092 -0.401 241 HD13 LEU 29 3HD1 LEU 29 -8.919 -1.125 -1.669 242 HD21 LEU 29 3HD2 LEU 29 -6.242 0.173 1.431 243 HD22 LEU 29 1HD2 LEU 29 -7.917 0.722 1.528 244 HD23 LEU 29 2HD2 LEU 29 -6.860 1.325 0.249 245 H GLU 30 H GLU 30 -7.895 -2.733 -2.515 246 HA GLU 30 HA GLU 30 -5.067 -3.638 -2.671 247 HB2 GLU 30 2HB GLU 30 -7.270 -3.563 -4.780 248 HB3 GLU 30 3HB GLU 30 -5.572 -3.557 -5.253 249 HG2 GLU 30 2HG GLU 30 -5.187 -5.701 -4.277 250 HG3 GLU 30 3HG GLU 30 -6.741 -5.674 -3.450 251 H VAL 31 H VAL 31 -3.700 -1.993 -2.634 252 HA VAL 31 HA VAL 31 -4.359 0.547 -4.028 253 HB VAL 31 HB VAL 31 -2.469 1.565 -2.596 254 HG11 VAL 31 1HG1 VAL 31 -3.904 1.954 -0.608 255 HG12 VAL 31 2HG1 VAL 31 -4.984 0.662 -1.142 256 HG13 VAL 31 3HG1 VAL 31 -4.796 2.120 -2.123 257 HG21 VAL 31 3HG2 VAL 31 -1.936 0.453 -0.442 258 HG22 VAL 31 1HG2 VAL 31 -1.411 -0.510 -1.824 259 HG23 VAL 31 2HG2 VAL 31 -2.869 -0.958 -0.941 260 H GLU 32 H GLU 32 -3.341 0.632 -5.915 261 HA GLU 32 HA GLU 32 -0.814 -0.836 -6.338 262 HB2 GLU 32 2HB GLU 32 -2.687 -1.466 -7.843 263 HB3 GLU 32 3HB GLU 32 -2.825 0.206 -8.382 264 HG2 GLU 32 2HG GLU 32 -0.581 0.101 -9.386 265 HG3 GLU 32 3HG GLU 32 -0.362 -1.536 -8.766 266 H PHE 33 H PHE 33 0.915 0.398 -6.208 267 HA PHE 33 HA PHE 33 0.866 3.265 -6.502 268 HB2 PHE 33 2HB PHE 33 2.310 2.091 -4.827 269 HB3 PHE 33 3HB PHE 33 3.216 1.354 -6.145 270 HD1 PHE 33 HD1 PHE 33 2.044 4.832 -5.290 271 HD2 PHE 33 HD2 PHE 33 5.320 2.329 -6.416 272 HE1 PHE 33 HE1 PHE 33 3.540 6.777 -5.304 273 HE2 PHE 33 HE2 PHE 33 6.794 4.284 -6.432 274 HZ PHE 33 HZ PHE 33 5.909 6.509 -5.880 275 H ASP 34 H ASP 34 0.529 3.913 -8.529 276 HA ASP 34 HA ASP 34 1.507 2.513 -10.864 277 HB2 ASP 34 2HB ASP 34 -0.758 3.549 -10.828 278 HB3 ASP 34 3HB ASP 34 -0.033 5.136 -10.609 279 H SER 35 H SER 35 3.748 2.681 -10.548 280 HA SER 35 HA SER 35 4.939 5.120 -11.621 281 HB2 SER 35 2HB SER 35 4.955 5.550 -9.187 282 HB3 SER 35 3HB SER 35 5.758 4.011 -8.897 283 HG SER 35 HG SER 35 6.983 6.189 -9.119 284 H THR 36 H THR 36 7.073 4.835 -12.361 285 HA THR 36 HA THR 36 8.007 2.048 -12.711 286 HB THR 36 HB THR 36 9.219 2.954 -14.760 287 HG1 THR 36 HG1 THR 36 9.231 5.150 -14.397 288 HG21 THR 36 3HG2 THR 36 7.230 3.008 -16.235 289 HG22 THR 36 1HG2 THR 36 6.181 3.204 -14.826 290 HG23 THR 36 2HG2 THR 36 7.100 1.713 -15.044 291 H ASP 37 H ASP 37 8.570 4.629 -10.788 292 HA ASP 37 HA ASP 37 11.501 4.731 -11.015 293 HB2 ASP 37 2HB ASP 37 10.140 6.853 -10.646 294 HB3 ASP 37 3HB ASP 37 9.694 6.241 -9.059 295 H ASP 38 H ASP 38 12.483 3.081 -10.104 296 HA ASP 38 HA ASP 38 11.565 1.149 -8.414 297 HB2 ASP 38 2HB ASP 38 14.447 2.149 -8.514 298 HB3 ASP 38 3HB ASP 38 13.926 0.588 -7.884 299 H LYS 39 H LYS 39 13.255 4.143 -7.456 300 HA LYS 39 HA LYS 39 13.745 3.455 -4.769 301 HB2 LYS 39 2HB LYS 39 13.415 6.246 -5.938 302 HB3 LYS 39 3HB LYS 39 14.192 5.861 -4.411 303 HG2 LYS 39 2HG LYS 39 15.193 5.000 -7.143 304 HG3 LYS 39 3HG LYS 39 15.778 6.398 -6.253 305 HD2 LYS 39 2HD LYS 39 17.428 4.824 -5.782 306 HD3 LYS 39 3HD LYS 39 16.384 4.640 -4.378 307 HE2 LYS 39 2HE LYS 39 15.383 2.622 -5.395 308 HE3 LYS 39 3HE LYS 39 16.382 2.846 -6.833 309 HZ1 LYS 39 3HZ LYS 39 17.448 2.376 -4.097 310 HZ2 LYS 39 1HZ LYS 39 18.346 2.485 -5.523 311 HZ3 LYS 39 2HZ LYS 39 17.287 1.192 -5.291 312 H GLU 40 H GLU 40 11.102 5.255 -6.280 313 HA GLU 40 HA GLU 40 9.671 5.860 -3.901 314 HB2 GLU 40 2HB GLU 40 8.592 5.694 -6.739 315 HB3 GLU 40 3HB GLU 40 7.812 6.488 -5.372 316 HG2 GLU 40 2HG GLU 40 9.939 7.970 -5.275 317 HG3 GLU 40 3HG GLU 40 10.284 7.328 -6.885 318 H ILE 41 H ILE 41 9.591 3.114 -6.129 319 HA ILE 41 HA ILE 41 7.270 1.848 -5.022 320 HB ILE 41 HB ILE 41 9.541 0.715 -6.721 321 HG12 ILE 41 2HG1 ILE 41 6.712 1.614 -7.478 322 HG13 ILE 41 3HG1 ILE 41 8.201 2.467 -7.861 323 HG21 ILE 41 1HG2 ILE 41 6.896 -0.601 -6.016 324 HG22 ILE 41 2HG2 ILE 41 8.496 -1.121 -5.481 325 HG23 ILE 41 3HG2 ILE 41 8.065 -1.214 -7.188 326 HD11 ILE 41 3HD1 ILE 41 7.333 1.308 -9.794 327 HD12 ILE 41 1HD1 ILE 41 7.385 -0.232 -8.937 328 HD13 ILE 41 2HD1 ILE 41 8.883 0.623 -9.314 329 H GLU 42 H GLU 42 10.776 1.574 -4.326 330 HA GLU 42 HA GLU 42 10.676 -0.543 -2.457 331 HB2 GLU 42 2HB GLU 42 12.674 1.651 -3.027 332 HB3 GLU 42 3HB GLU 42 12.824 0.786 -1.508 333 HG2 GLU 42 2HG GLU 42 14.287 -0.354 -2.897 334 HG3 GLU 42 3HG GLU 42 12.852 -1.366 -2.914 335 H GLU 43 H GLU 43 10.326 2.963 -2.149 336 HA GLU 43 HA GLU 43 9.939 3.182 0.617 337 HB2 GLU 43 2HB GLU 43 8.709 4.827 -1.627 338 HB3 GLU 43 3HB GLU 43 8.581 5.236 0.080 339 HG2 GLU 43 2HG GLU 43 11.044 5.469 0.198 340 HG3 GLU 43 3HG GLU 43 11.147 5.116 -1.528 341 H PHE 44 H PHE 44 7.524 2.630 -2.007 342 HA PHE 44 HA PHE 44 5.202 2.670 -0.458 343 HB2 PHE 44 2HB PHE 44 5.185 2.760 -2.918 344 HB3 PHE 44 3HB PHE 44 5.794 1.114 -3.013 345 HD1 PHE 44 HD1 PHE 44 2.930 2.866 -1.276 346 HD2 PHE 44 HD2 PHE 44 4.170 -0.428 -3.702 347 HE1 PHE 44 HE1 PHE 44 0.609 2.075 -1.405 348 HE2 PHE 44 HE2 PHE 44 1.846 -1.208 -3.811 349 HZ PHE 44 HZ PHE 44 0.069 0.042 -2.673 350 H GLU 45 H GLU 45 7.458 0.023 -1.146 351 HA GLU 45 HA GLU 45 6.098 -2.118 0.081 352 HB2 GLU 45 2HB GLU 45 9.100 -1.666 -0.201 353 HB3 GLU 45 3HB GLU 45 8.342 -3.199 0.232 354 HG2 GLU 45 2HG GLU 45 7.166 -3.196 -1.959 355 HG3 GLU 45 3HG GLU 45 8.024 -1.718 -2.390 356 H ARG 46 H ARG 46 8.748 -0.077 1.410 357 HA ARG 46 HA ARG 46 8.780 -1.393 3.923 358 HB2 ARG 46 2HB ARG 46 10.445 0.246 4.589 359 HB3 ARG 46 3HB ARG 46 10.754 -0.254 2.935 360 HG2 ARG 46 2HG ARG 46 9.571 1.900 2.206 361 HG3 ARG 46 3HG ARG 46 9.630 2.395 3.897 362 HD2 ARG 46 2HD ARG 46 11.496 3.383 2.693 363 HD3 ARG 46 3HD ARG 46 12.118 2.186 3.835 364 HE ARG 46 HE ARG 46 11.683 1.467 1.005 365 HH11 ARG 46 1HH1 ARG 46 13.968 1.889 3.659 366 HH12 ARG 46 2HH1 ARG 46 15.270 1.109 2.819 367 HH21 ARG 46 1HH2 ARG 46 13.370 0.415 -0.057 368 HH22 ARG 46 2HH2 ARG 46 14.923 0.269 0.696 369 H ASP 47 H ASP 47 7.376 1.683 2.895 370 HA ASP 47 HA ASP 47 6.211 2.584 5.234 371 HB2 ASP 47 2HB ASP 47 5.476 2.904 2.309 372 HB3 ASP 47 3HB ASP 47 4.466 3.618 3.557 373 H MET 48 H MET 48 4.729 0.449 2.744 374 HA MET 48 HA MET 48 2.277 0.052 4.162 375 HB2 MET 48 2HB MET 48 3.517 -1.453 1.837 376 HB3 MET 48 3HB MET 48 2.018 -2.013 2.580 377 HG2 MET 48 2HG MET 48 2.461 0.699 1.314 378 HG3 MET 48 3HG MET 48 1.549 -0.646 0.616 379 HE1 MET 48 3HE MET 48 -0.405 1.195 0.266 380 HE2 MET 48 1HE MET 48 0.442 2.456 1.159 381 HE3 MET 48 2HE MET 48 -1.214 2.028 1.591 382 H GLU 49 H GLU 49 5.326 -1.716 4.238 383 HA GLU 49 HA GLU 49 4.439 -3.938 5.798 384 HB2 GLU 49 2HB GLU 49 7.219 -2.733 5.431 385 HB3 GLU 49 3HB GLU 49 6.915 -4.210 6.346 386 HG2 GLU 49 2HG GLU 49 6.104 -5.343 4.365 387 HG3 GLU 49 3HG GLU 49 6.203 -3.858 3.421 388 H ASP 50 H ASP 50 5.864 -0.796 6.597 389 HA ASP 50 HA ASP 50 6.083 -1.120 9.410 390 HB2 ASP 50 2HB ASP 50 7.322 0.619 8.134 391 HB3 ASP 50 3HB ASP 50 5.807 1.422 7.731 392 H LEU 51 H LEU 51 3.621 0.257 7.293 393 HA LEU 51 HA LEU 51 1.663 1.037 9.139 394 HB2 LEU 51 2HB LEU 51 1.667 1.678 6.742 395 HB3 LEU 51 3HB LEU 51 1.364 0.015 6.281 396 HG LEU 51 HG LEU 51 -0.891 0.150 7.392 397 HD11 LEU 51 1HD1 LEU 51 -0.251 3.091 7.767 398 HD12 LEU 51 2HD1 LEU 51 -0.456 1.887 9.044 399 HD13 LEU 51 3HD1 LEU 51 -1.824 2.326 8.026 400 HD21 LEU 51 3HD2 LEU 51 -0.673 0.526 4.974 401 HD22 LEU 51 1HD2 LEU 51 -0.417 2.253 5.252 402 HD23 LEU 51 2HD2 LEU 51 -1.967 1.509 5.658 403 H ALA 52 H ALA 52 2.220 -2.068 7.470 404 HA ALA 52 HA ALA 52 -0.013 -3.511 8.359 405 HB1 ALA 52 3HB ALA 52 1.470 -4.217 6.515 406 HB2 ALA 52 1HB ALA 52 1.229 -5.506 7.695 407 HB3 ALA 52 2HB ALA 52 2.740 -4.593 7.678 408 H LYS 53 H LYS 53 3.219 -3.172 9.810 409 HA LYS 53 HA LYS 53 2.830 -4.813 12.081 410 HB2 LYS 53 2HB LYS 53 4.737 -2.592 11.362 411 HB3 LYS 53 3HB LYS 53 4.586 -2.973 13.065 412 HG2 LYS 53 2HG LYS 53 6.464 -4.175 12.345 413 HG3 LYS 53 3HG LYS 53 5.192 -5.380 12.470 414 HD2 LYS 53 2HD LYS 53 5.893 -4.102 9.809 415 HD3 LYS 53 3HD LYS 53 6.835 -5.446 10.442 416 HE2 LYS 53 2HE LYS 53 3.870 -5.504 9.781 417 HE3 LYS 53 3HE LYS 53 5.166 -6.234 8.835 418 HZ1 LYS 53 3HZ LYS 53 4.323 -7.020 11.571 419 HZ2 LYS 53 1HZ LYS 53 5.650 -7.675 10.753 420 HZ3 LYS 53 2HZ LYS 53 4.087 -7.895 10.149 421 H LYS 54 H LYS 54 2.434 -1.294 11.661 422 HA LYS 54 HA LYS 54 1.601 -0.660 14.281 423 HB2 LYS 54 2HB LYS 54 1.241 0.830 11.650 424 HB3 LYS 54 3HB LYS 54 0.840 1.530 13.217 425 HG2 LYS 54 2HG LYS 54 3.179 1.364 13.929 426 HG3 LYS 54 3HG LYS 54 3.601 0.549 12.424 427 HD2 LYS 54 2HD LYS 54 4.324 2.809 12.188 428 HD3 LYS 54 3HD LYS 54 2.888 2.643 11.184 429 HE2 LYS 54 2HE LYS 54 2.848 3.835 13.976 430 HE3 LYS 54 3HE LYS 54 3.058 4.789 12.513 431 HZ1 LYS 54 3HZ LYS 54 0.796 4.862 13.181 432 HZ2 LYS 54 1HZ LYS 54 0.682 3.178 13.246 433 HZ3 LYS 54 2HZ LYS 54 0.887 3.956 11.762 434 H THR 55 H THR 55 -0.216 -1.926 11.595 435 HA THR 55 HA THR 55 -2.818 -1.267 12.835 436 HB THR 55 HB THR 55 -3.801 -1.990 10.650 437 HG1 THR 55 HG1 THR 55 -1.549 -1.940 9.165 438 HG21 THR 55 3HG2 THR 55 -1.612 0.115 10.388 439 HG22 THR 55 1HG2 THR 55 -3.260 0.397 10.960 440 HG23 THR 55 2HG2 THR 55 -2.979 -0.083 9.285 441 H GLY 56 H GLY 56 -0.596 -3.882 12.478 442 HA2 GLY 56 2HA GLY 56 -0.676 -6.004 13.375 443 HA3 GLY 56 3HA GLY 56 -2.330 -5.720 13.898 444 H VAL 57 H VAL 57 -1.394 -5.241 10.588 445 HA VAL 57 HA VAL 57 -2.661 -7.804 9.748 446 HB VAL 57 HB VAL 57 -3.488 -6.831 7.716 447 HG11 VAL 57 1HG1 VAL 57 -4.215 -4.999 10.019 448 HG12 VAL 57 2HG1 VAL 57 -4.929 -6.575 9.666 449 HG13 VAL 57 3HG1 VAL 57 -5.154 -5.236 8.540 450 HG21 VAL 57 3HG2 VAL 57 -1.718 -5.268 7.130 451 HG22 VAL 57 1HG2 VAL 57 -2.149 -4.208 8.474 452 HG23 VAL 57 2HG2 VAL 57 -3.266 -4.422 7.124 453 H GLN 58 H GLN 58 -1.944 -8.275 7.337 454 HA GLN 58 HA GLN 58 0.986 -7.876 7.048 455 HB2 GLN 58 2HB GLN 58 -0.638 -10.274 6.051 456 HB3 GLN 58 3HB GLN 58 1.119 -10.104 6.047 457 HG2 GLN 58 2HG GLN 58 1.108 -10.095 8.535 458 HG3 GLN 58 3HG GLN 58 -0.639 -10.291 8.518 459 HE21 GLN 58 1HE2 GLN 58 1.692 -11.989 6.441 460 HE22 GLN 58 2HE2 GLN 58 1.381 -13.556 7.097 461 H ILE 59 H ILE 59 1.664 -7.993 4.618 462 HA ILE 59 HA ILE 59 -0.454 -6.792 2.911 463 HB ILE 59 HB ILE 59 1.110 -5.298 1.871 464 HG12 ILE 59 2HG1 ILE 59 3.364 -6.338 3.651 465 HG13 ILE 59 3HG1 ILE 59 3.161 -6.782 1.960 466 HG21 ILE 59 1HG2 ILE 59 1.692 -3.793 3.723 467 HG22 ILE 59 2HG2 ILE 59 1.487 -5.116 4.873 468 HG23 ILE 59 3HG2 ILE 59 0.099 -4.514 3.969 469 HD11 ILE 59 3HD1 ILE 59 3.686 -4.000 3.009 470 HD12 ILE 59 1HD1 ILE 59 3.435 -4.430 1.314 471 HD13 ILE 59 2HD1 ILE 59 4.829 -5.059 2.185 472 H GLN 60 H GLN 60 -0.652 -7.507 0.857 473 HA GLN 60 HA GLN 60 1.007 -9.785 -0.032 474 HB2 GLN 60 2HB GLN 60 -1.549 -9.949 0.108 475 HB3 GLN 60 3HB GLN 60 -1.631 -8.782 -1.204 476 HG2 GLN 60 2HG GLN 60 -1.901 -10.914 -2.215 477 HG3 GLN 60 3HG GLN 60 -0.249 -10.419 -2.593 478 HE21 GLN 60 1HE2 GLN 60 0.541 -12.506 -2.862 479 HE22 GLN 60 2HE2 GLN 60 0.704 -13.636 -1.563 480 H LYS 61 H LYS 61 2.796 -8.887 -1.088 481 HA LYS 61 HA LYS 61 2.561 -6.614 -2.878 482 HB2 LYS 61 2HB LYS 61 4.903 -8.505 -2.374 483 HB3 LYS 61 3HB LYS 61 4.982 -7.046 -3.362 484 HG2 LYS 61 2HG LYS 61 4.432 -5.678 -1.361 485 HG3 LYS 61 3HG LYS 61 4.406 -7.148 -0.378 486 HD2 LYS 61 2HD LYS 61 6.798 -7.546 -0.915 487 HD3 LYS 61 3HD LYS 61 6.818 -6.086 -1.911 488 HE2 LYS 61 2HE LYS 61 6.336 -4.720 0.084 489 HE3 LYS 61 3HE LYS 61 6.305 -6.178 1.079 490 HZ1 LYS 61 3HZ LYS 61 8.660 -5.254 -0.478 491 HZ2 LYS 61 1HZ LYS 61 8.609 -6.555 0.604 492 HZ3 LYS 61 2HZ LYS 61 8.430 -4.971 1.172 493 H GLN 62 H GLN 62 1.824 -6.795 -4.883 494 HA GLN 62 HA GLN 62 2.304 -9.208 -6.511 495 HB2 GLN 62 2HB GLN 62 -0.033 -9.341 -5.759 496 HB3 GLN 62 3HB GLN 62 -0.327 -7.667 -6.216 497 HG2 GLN 62 2HG GLN 62 -1.335 -9.226 -7.825 498 HG3 GLN 62 3HG GLN 62 -0.087 -8.242 -8.589 499 HE21 GLN 62 1HE2 GLN 62 0.317 -9.672 -10.252 500 HE22 GLN 62 2HE2 GLN 62 1.042 -11.223 -10.025 501 H TRP 63 H TRP 63 3.451 -8.588 -8.210 502 HA TRP 63 HA TRP 63 3.624 -5.802 -9.066 503 HB2 TRP 63 2HB TRP 63 5.039 -8.333 -10.023 504 HB3 TRP 63 3HB TRP 63 5.386 -6.707 -10.611 505 HD1 TRP 63 HD1 TRP 63 5.928 -8.951 -7.535 506 HE1 TRP 63 HE1 TRP 63 7.651 -7.823 -5.990 507 HE3 TRP 63 HE3 TRP 63 6.318 -4.425 -9.895 508 HZ2 TRP 63 HZ2 TRP 63 8.999 -5.365 -5.794 509 HZ3 TRP 63 HZ3 TRP 63 7.850 -2.737 -8.961 510 HH2 TRP 63 HH2 TRP 63 9.160 -3.203 -6.950 511 H GLN 64 H GLN 64 2.538 -4.972 -10.827 512 HA GLN 64 HA GLN 64 1.323 -6.783 -12.809 513 HB2 GLN 64 2HB GLN 64 -0.384 -6.213 -11.039 514 HB3 GLN 64 3HB GLN 64 -0.150 -4.504 -11.379 515 HG2 GLN 64 2HG GLN 64 -2.194 -5.313 -12.438 516 HG3 GLN 64 3HG GLN 64 -1.023 -4.829 -13.663 517 HE21 GLN 64 1HE2 GLN 64 -0.102 -6.419 -14.996 518 HE22 GLN 64 2HE2 GLN 64 -0.742 -8.020 -15.098 519 H GLY 65 H GLY 65 2.757 -6.171 -14.379 520 HA2 GLY 65 2HA GLY 65 3.780 -4.957 -16.022 521 HA3 GLY 65 3HA GLY 65 2.419 -3.848 -15.909 522 H ASN 66 H ASN 66 5.018 -4.712 -13.650 523 HA ASN 66 HA ASN 66 6.662 -3.622 -12.585 524 HB2 ASN 66 2HB ASN 66 7.164 -2.432 -14.752 525 HB3 ASN 66 3HB ASN 66 6.110 -1.120 -14.237 526 HD21 ASN 66 1HD2 ASN 66 6.807 0.201 -12.448 527 HD22 ASN 66 2HD2 ASN 66 8.469 0.243 -11.968 528 H LYS 67 H LYS 67 3.569 -2.007 -12.883 529 HA LYS 67 HA LYS 67 3.755 -0.263 -10.649 530 HB2 LYS 67 2HB LYS 67 1.170 -1.440 -11.754 531 HB3 LYS 67 3HB LYS 67 1.395 0.111 -10.946 532 HG2 LYS 67 2HG LYS 67 2.397 -0.650 -13.708 533 HG3 LYS 67 3HG LYS 67 1.047 0.427 -13.342 534 HD2 LYS 67 2HD LYS 67 2.548 2.079 -12.379 535 HD3 LYS 67 3HD LYS 67 3.925 0.982 -12.504 536 HE2 LYS 67 2HE LYS 67 3.904 2.739 -14.269 537 HE3 LYS 67 3HE LYS 67 3.863 1.105 -14.929 538 HZ1 LYS 67 3HZ LYS 67 2.320 2.672 -16.017 539 HZ2 LYS 67 1HZ LYS 67 1.469 2.819 -14.568 540 HZ3 LYS 67 2HZ LYS 67 1.536 1.327 -15.359 541 H LEU 68 H LEU 68 3.750 -0.795 -8.550 542 HA LEU 68 HA LEU 68 3.470 -3.603 -7.818 543 HB2 LEU 68 2HB LEU 68 5.435 -2.409 -6.991 544 HB3 LEU 68 3HB LEU 68 4.418 -1.220 -6.189 545 HG LEU 68 HG LEU 68 3.573 -2.970 -4.632 546 HD11 LEU 68 1HD1 LEU 68 4.600 -5.202 -4.533 547 HD12 LEU 68 2HD1 LEU 68 5.493 -4.861 -6.017 548 HD13 LEU 68 3HD1 LEU 68 3.731 -4.945 -6.046 549 HD21 LEU 68 3HD2 LEU 68 5.604 -3.250 -3.308 550 HD22 LEU 68 1HD2 LEU 68 5.515 -1.627 -3.993 551 HD23 LEU 68 2HD2 LEU 68 6.598 -2.827 -4.705 552 H ARG 69 H ARG 69 1.401 -4.111 -7.719 553 HA ARG 69 HA ARG 69 -0.590 -2.613 -6.225 554 HB2 ARG 69 2HB ARG 69 -1.239 -3.734 -8.281 555 HB3 ARG 69 3HB ARG 69 -0.615 -5.273 -7.702 556 HG2 ARG 69 2HG ARG 69 -2.396 -5.412 -6.033 557 HG3 ARG 69 3HG ARG 69 -2.985 -3.805 -6.486 558 HD2 ARG 69 2HD ARG 69 -2.915 -6.249 -8.293 559 HD3 ARG 69 3HD ARG 69 -4.350 -5.567 -7.521 560 HE ARG 69 HE ARG 69 -2.719 -4.178 -9.573 561 HH11 ARG 69 1HH1 ARG 69 -5.866 -4.822 -8.129 562 HH12 ARG 69 2HH1 ARG 69 -6.710 -3.789 -9.238 563 HH21 ARG 69 1HH2 ARG 69 -3.797 -2.728 -10.894 564 HH22 ARG 69 2HH2 ARG 69 -5.530 -2.601 -10.806 565 H ILE 70 H ILE 70 -0.345 -2.707 -4.061 566 HA ILE 70 HA ILE 70 0.269 -5.288 -2.752 567 HB ILE 70 HB ILE 70 0.548 -2.436 -1.690 568 HG12 ILE 70 2HG1 ILE 70 2.569 -4.698 -2.105 569 HG13 ILE 70 3HG1 ILE 70 2.447 -3.227 -3.061 570 HG21 ILE 70 1HG2 ILE 70 -0.432 -3.821 0.095 571 HG22 ILE 70 2HG2 ILE 70 1.238 -3.401 0.478 572 HG23 ILE 70 3HG2 ILE 70 0.848 -5.017 -0.115 573 HD11 ILE 70 3HD1 ILE 70 4.325 -3.113 -1.559 574 HD12 ILE 70 1HD1 ILE 70 3.285 -3.402 -0.164 575 HD13 ILE 70 2HD1 ILE 70 3.122 -1.911 -1.096 576 H ARG 71 H ARG 71 -1.440 -6.359 -2.042 577 HA ARG 71 HA ARG 71 -3.986 -5.000 -1.593 578 HB2 ARG 71 2HB ARG 71 -4.067 -7.014 -2.976 579 HB3 ARG 71 3HB ARG 71 -3.318 -7.977 -1.706 580 HG2 ARG 71 2HG ARG 71 -5.277 -8.006 -0.389 581 HG3 ARG 71 3HG ARG 71 -5.929 -6.555 -1.149 582 HD2 ARG 71 2HD ARG 71 -7.160 -8.627 -1.767 583 HD3 ARG 71 3HD ARG 71 -6.488 -7.775 -3.159 584 HE ARG 71 HE ARG 71 -5.055 -10.055 -1.969 585 HH11 ARG 71 1HH1 ARG 71 -6.736 -8.677 -4.761 586 HH12 ARG 71 2HH1 ARG 71 -6.219 -9.944 -5.830 587 HH21 ARG 71 1HH2 ARG 71 -4.400 -11.682 -3.368 588 HH22 ARG 71 2HH2 ARG 71 -4.887 -11.657 -5.028 589 H LEU 72 H LEU 72 -4.332 -4.265 0.270 590 HA LEU 72 HA LEU 72 -2.909 -5.060 2.687 591 HB2 LEU 72 2HB LEU 72 -4.837 -2.775 2.113 592 HB3 LEU 72 3HB LEU 72 -3.917 -2.989 3.600 593 HG LEU 72 HG LEU 72 -2.653 -2.552 0.867 594 HD11 LEU 72 1HD1 LEU 72 -3.100 -0.561 3.088 595 HD12 LEU 72 2HD1 LEU 72 -3.931 -0.598 1.529 596 HD13 LEU 72 3HD1 LEU 72 -2.201 -0.282 1.595 597 HD21 LEU 72 3HD2 LEU 72 -1.188 -3.747 2.413 598 HD22 LEU 72 1HD2 LEU 72 -1.436 -2.508 3.648 599 HD23 LEU 72 2HD2 LEU 72 -0.597 -2.111 2.144 600 H LYS 73 H LYS 73 -3.841 -6.637 3.755 601 HA LYS 73 HA LYS 73 -6.668 -7.289 3.367 602 HB2 LYS 73 2HB LYS 73 -5.963 -9.456 4.498 603 HB3 LYS 73 3HB LYS 73 -5.170 -9.119 2.962 604 HG2 LYS 73 2HG LYS 73 -3.242 -8.133 4.372 605 HG3 LYS 73 3HG LYS 73 -4.011 -8.915 5.744 606 HD2 LYS 73 2HD LYS 73 -2.250 -10.332 4.932 607 HD3 LYS 73 3HD LYS 73 -3.795 -11.100 4.579 608 HE2 LYS 73 2HE LYS 73 -3.658 -10.234 2.231 609 HE3 LYS 73 3HE LYS 73 -2.093 -9.518 2.609 610 HZ1 LYS 73 3HZ LYS 73 -1.244 -11.757 3.045 611 HZ2 LYS 73 1HZ LYS 73 -1.837 -11.620 1.468 612 HZ3 LYS 73 2HZ LYS 73 -2.750 -12.419 2.646 613 H GLY 74 H GLY 74 -8.024 -6.475 4.782 614 HA2 GLY 74 2HA GLY 74 -7.210 -5.129 7.207 615 HA3 GLY 74 3HA GLY 74 -8.841 -5.245 6.564 616 H SER 75 H SER 75 -7.796 -8.310 6.598 617 HA SER 75 HA SER 75 -8.173 -9.014 9.383 618 HB2 SER 75 2HB SER 75 -10.143 -10.532 8.779 619 HB3 SER 75 3HB SER 75 -10.504 -8.806 8.739 620 HG SER 75 HG SER 75 -9.815 -9.152 6.350 621 H LEU 76 H LEU 76 -6.995 -10.822 9.801 622 HA LEU 76 HA LEU 76 -5.990 -12.462 7.542 623 HB2 LEU 76 2HB LEU 76 -4.711 -11.566 10.130 624 HB3 LEU 76 3HB LEU 76 -4.242 -13.130 9.497 625 HG LEU 76 HG LEU 76 -2.614 -11.486 8.752 626 HD11 LEU 76 1HD1 LEU 76 -4.322 -12.285 6.428 627 HD12 LEU 76 2HD1 LEU 76 -3.133 -13.305 7.245 628 HD13 LEU 76 3HD1 LEU 76 -2.612 -11.849 6.404 629 HD21 LEU 76 3HD2 LEU 76 -4.880 -9.919 7.519 630 HD22 LEU 76 1HD2 LEU 76 -3.159 -9.549 7.394 631 HD23 LEU 76 2HD2 LEU 76 -3.967 -9.459 8.955 632 H GLU 77 H GLU 77 -5.517 -14.714 8.042 633 HA GLU 77 HA GLU 77 -7.466 -16.118 9.719 634 HB2 GLU 77 2HB GLU 77 -5.115 -17.122 8.040 635 HB3 GLU 77 3HB GLU 77 -6.352 -18.145 8.773 636 HG2 GLU 77 2HG GLU 77 -8.037 -17.361 7.290 637 HG3 GLU 77 3HG GLU 77 -7.062 -15.987 6.774 638 H HIS 78 H HIS 78 -6.326 -18.003 11.109 639 HA HIS 78 HA HIS 78 -4.798 -16.852 13.175 640 HB2 HIS 78 2HB HIS 78 -4.538 -19.127 14.080 641 HB3 HIS 78 3HB HIS 78 -6.178 -18.910 13.492 642 HD1 HIS 78 HD1 HIS 78 -3.262 -21.093 13.201 643 HD2 HIS 78 HD2 HIS 78 -6.676 -20.308 10.957 644 HE1 HIS 78 HE1 HIS 78 -3.462 -23.001 11.579 645 HE2 HIS 78 HE2 HIS 78 -5.399 -22.381 10.100 646 H HIS 79 H HIS 79 -2.629 -16.490 13.400 647 HA HIS 79 HA HIS 79 -0.676 -17.740 11.595 648 HB2 HIS 79 2HB HIS 79 0.222 -15.561 10.806 649 HB3 HIS 79 3HB HIS 79 -1.448 -15.778 10.298 650 HD1 HIS 79 HD1 HIS 79 -3.256 -14.355 11.671 651 HD2 HIS 79 HD2 HIS 79 0.699 -13.233 12.230 652 HE1 HIS 79 HE1 HIS 79 -3.347 -12.056 12.654 653 HE2 HIS 79 HE2 HIS 79 -0.955 -11.469 13.119 654 H HIS 80 H HIS 80 1.519 -17.346 12.222 655 HA HIS 80 HA HIS 80 1.884 -17.392 15.060 656 HB2 HIS 80 2HB HIS 80 4.165 -17.955 14.591 657 HB3 HIS 80 3HB HIS 80 3.194 -18.772 13.382 658 HD1 HIS 80 HD1 HIS 80 6.272 -17.214 13.596 659 HD2 HIS 80 HD2 HIS 80 3.131 -16.836 10.899 660 HE1 HIS 80 HE1 HIS 80 7.278 -16.214 11.524 661 HE2 HIS 80 HE2 HIS 80 5.324 -15.827 9.990 662 H HIS 81 H HIS 81 2.859 -15.848 16.410 663 HA HIS 81 HA HIS 81 2.794 -13.083 15.474 664 HB2 HIS 81 2HB HIS 81 3.319 -14.208 18.254 665 HB3 HIS 81 3HB HIS 81 3.253 -12.493 17.877 666 HD1 HIS 81 HD1 HIS 81 0.990 -11.409 17.845 667 HD2 HIS 81 HD2 HIS 81 0.754 -15.553 18.057 668 HE1 HIS 81 HE1 HIS 81 -1.406 -11.921 18.392 669 HE2 HIS 81 HE2 HIS 81 -1.534 -14.428 18.466 670 H HIS 82 H HIS 82 5.251 -14.240 17.786 671 HA HIS 82 HA HIS 82 7.387 -13.078 16.096 672 HB2 HIS 82 2HB HIS 82 7.020 -12.093 18.382 673 HB3 HIS 82 3HB HIS 82 7.410 -13.650 19.103 674 HD1 HIS 82 HD1 HIS 82 9.881 -14.165 19.431 675 HD2 HIS 82 HD2 HIS 82 9.258 -10.786 17.092 676 HE1 HIS 82 HE1 HIS 82 12.145 -13.138 19.120 677 HE2 HIS 82 HE2 HIS 82 11.762 -11.221 17.536 678 H HIS 83 H HIS 83 6.361 -15.955 17.812 679 HA HIS 83 HA HIS 83 8.738 -17.501 17.207 680 HB2 HIS 83 2HB HIS 83 7.606 -18.020 19.291 681 HB3 HIS 83 3HB HIS 83 6.060 -18.216 18.476 682 HD1 HIS 83 HD1 HIS 83 5.418 -20.560 18.019 683 HD2 HIS 83 HD2 HIS 83 9.536 -20.166 18.429 684 HE1 HIS 83 HE1 HIS 83 6.338 -22.885 17.847 685 HE2 HIS 83 HE2 HIS 83 8.835 -22.610 17.949 Start of MODEL 18 1 H1 MET 1 1H MET 1 -19.887 -10.913 0.225 2 H2 MET 1 2H MET 1 -18.397 -11.674 0.474 3 H3 MET 1 3H MET 1 -18.781 -11.053 -1.047 4 HA MET 1 HA MET 1 -18.735 -8.831 -0.249 5 HB2 MET 1 2HB MET 1 -18.207 -10.138 2.445 6 HB3 MET 1 3HB MET 1 -17.885 -8.438 2.144 7 HG2 MET 1 2HG MET 1 -20.297 -8.097 1.671 8 HG3 MET 1 3HG MET 1 -20.591 -9.795 2.069 9 HE1 MET 1 3HE MET 1 -22.006 -7.693 5.158 10 HE2 MET 1 1HE MET 1 -22.436 -8.846 3.895 11 HE3 MET 1 2HE MET 1 -21.991 -7.194 3.466 12 H GLY 2 H GLY 2 -16.642 -7.714 0.706 13 HA2 GLY 2 2HA GLY 2 -14.154 -8.830 0.987 14 HA3 GLY 2 3HA GLY 2 -14.361 -8.678 -0.756 15 H LEU 3 H LEU 3 -15.627 -6.455 -1.188 16 HA LEU 3 HA LEU 3 -15.417 -4.236 -1.539 17 HB2 LEU 3 2HB LEU 3 -14.939 -4.293 1.464 18 HB3 LEU 3 3HB LEU 3 -14.997 -2.791 0.558 19 HG LEU 3 HG LEU 3 -17.363 -3.491 -0.205 20 HD11 LEU 3 1HD1 LEU 3 -17.299 -5.859 0.375 21 HD12 LEU 3 2HD1 LEU 3 -18.615 -5.036 1.209 22 HD13 LEU 3 3HD1 LEU 3 -17.143 -5.457 2.089 23 HD21 LEU 3 3HD2 LEU 3 -16.942 -2.875 2.735 24 HD22 LEU 3 1HD2 LEU 3 -18.424 -2.610 1.812 25 HD23 LEU 3 2HD2 LEU 3 -16.969 -1.701 1.418 26 H THR 4 H THR 4 -13.098 -5.923 -1.898 27 HA THR 4 HA THR 4 -10.755 -4.336 -1.185 28 HB THR 4 HB THR 4 -10.760 -6.879 -2.873 29 HG1 THR 4 HG1 THR 4 -11.503 -6.575 -0.256 30 HG21 THR 4 3HG2 THR 4 -8.587 -5.688 -2.699 31 HG22 THR 4 1HG2 THR 4 -8.533 -7.236 -1.853 32 HG23 THR 4 2HG2 THR 4 -8.698 -5.738 -0.937 33 H ARG 5 H ARG 5 -11.715 -2.540 -2.509 34 HA ARG 5 HA ARG 5 -11.656 -2.583 -5.365 35 HB2 ARG 5 2HB ARG 5 -11.841 -0.157 -5.245 36 HB3 ARG 5 3HB ARG 5 -12.902 -0.860 -4.030 37 HG2 ARG 5 2HG ARG 5 -11.385 -0.264 -2.247 38 HG3 ARG 5 3HG ARG 5 -10.131 0.199 -3.397 39 HD2 ARG 5 2HD ARG 5 -12.771 1.617 -2.944 40 HD3 ARG 5 3HD ARG 5 -11.164 2.183 -2.470 41 HE ARG 5 HE ARG 5 -11.303 1.695 -5.286 42 HH11 ARG 5 1HH1 ARG 5 -12.216 4.107 -2.848 43 HH12 ARG 5 2HH1 ARG 5 -12.217 5.411 -3.989 44 HH21 ARG 5 1HH2 ARG 5 -11.366 3.419 -6.771 45 HH22 ARG 5 2HH2 ARG 5 -11.739 5.020 -6.220 46 H THR 6 H THR 6 -10.078 -1.103 -6.634 47 HA THR 6 HA THR 6 -7.302 -1.574 -5.695 48 HB THR 6 HB THR 6 -8.251 -1.695 -8.604 49 HG1 THR 6 HG1 THR 6 -7.555 -3.888 -6.913 50 HG21 THR 6 3HG2 THR 6 -5.607 -2.518 -7.340 51 HG22 THR 6 1HG2 THR 6 -5.874 -1.097 -8.356 52 HG23 THR 6 2HG2 THR 6 -6.049 -2.713 -9.037 53 H ILE 7 H ILE 7 -6.565 0.404 -5.164 54 HA ILE 7 HA ILE 7 -7.450 2.802 -6.628 55 HB ILE 7 HB ILE 7 -5.816 2.576 -4.047 56 HG12 ILE 7 2HG1 ILE 7 -8.782 3.219 -4.415 57 HG13 ILE 7 3HG1 ILE 7 -8.126 1.736 -3.733 58 HG21 ILE 7 1HG2 ILE 7 -6.220 4.981 -3.761 59 HG22 ILE 7 2HG2 ILE 7 -7.092 5.046 -5.292 60 HG23 ILE 7 3HG2 ILE 7 -5.366 4.680 -5.276 61 HD11 ILE 7 3HD1 ILE 7 -8.955 3.181 -1.999 62 HD12 ILE 7 1HD1 ILE 7 -7.896 4.489 -2.526 63 HD13 ILE 7 2HD1 ILE 7 -7.206 3.007 -1.857 64 H THR 8 H THR 8 -6.148 3.578 -8.207 65 HA THR 8 HA THR 8 -3.258 2.922 -8.225 66 HB THR 8 HB THR 8 -3.362 3.540 -10.707 67 HG1 THR 8 HG1 THR 8 -5.447 4.629 -10.516 68 HG21 THR 8 3HG2 THR 8 -5.092 1.167 -9.907 69 HG22 THR 8 1HG2 THR 8 -3.328 1.159 -9.984 70 HG23 THR 8 2HG2 THR 8 -4.274 1.386 -11.455 71 H SER 9 H SER 9 -2.182 4.584 -7.330 72 HA SER 9 HA SER 9 -2.958 7.358 -8.034 73 HB2 SER 9 2HB SER 9 -3.776 6.838 -5.744 74 HB3 SER 9 3HB SER 9 -2.139 6.410 -5.252 75 HG SER 9 HG SER 9 -2.717 8.564 -4.689 76 H GLN 10 H GLN 10 -1.349 8.909 -7.796 77 HA GLN 10 HA GLN 10 1.247 8.150 -8.782 78 HB2 GLN 10 2HB GLN 10 0.107 10.867 -7.997 79 HB3 GLN 10 3HB GLN 10 1.596 10.613 -8.902 80 HG2 GLN 10 2HG GLN 10 0.373 9.764 -10.808 81 HG3 GLN 10 3HG GLN 10 -1.139 9.763 -9.890 82 HE21 GLN 10 1HE2 GLN 10 -2.169 11.755 -9.468 83 HE22 GLN 10 2HE2 GLN 10 -1.785 13.192 -10.347 84 H ASN 11 H ASN 11 -0.166 8.980 -5.731 85 HA ASN 11 HA ASN 11 2.485 9.494 -4.489 86 HB2 ASN 11 2HB ASN 11 0.984 11.477 -4.490 87 HB3 ASN 11 3HB ASN 11 -0.241 10.564 -3.627 88 HD21 ASN 11 1HD2 ASN 11 2.901 12.108 -3.352 89 HD22 ASN 11 2HD2 ASN 11 2.955 12.115 -1.622 90 H LYS 12 H LYS 12 3.164 7.945 -3.166 91 HA LYS 12 HA LYS 12 1.558 5.736 -2.328 92 HB2 LYS 12 2HB LYS 12 3.670 4.915 -1.226 93 HB3 LYS 12 3HB LYS 12 3.822 5.293 -2.933 94 HG2 LYS 12 2HG LYS 12 5.783 6.192 -2.144 95 HG3 LYS 12 3HG LYS 12 4.737 7.608 -2.058 96 HD2 LYS 12 2HD LYS 12 4.358 7.058 0.390 97 HD3 LYS 12 3HD LYS 12 5.582 5.795 0.230 98 HE2 LYS 12 2HE LYS 12 7.208 7.553 -0.502 99 HE3 LYS 12 3HE LYS 12 5.983 8.770 -0.163 100 HZ1 LYS 12 3HZ LYS 12 7.203 6.910 1.799 101 HZ2 LYS 12 1HZ LYS 12 5.945 7.979 2.158 102 HZ3 LYS 12 2HZ LYS 12 7.467 8.564 1.695 103 H GLU 13 H GLU 13 2.375 8.747 -0.788 104 HA GLU 13 HA GLU 13 2.251 7.933 1.935 105 HB2 GLU 13 2HB GLU 13 1.693 10.696 0.773 106 HB3 GLU 13 3HB GLU 13 2.124 10.335 2.440 107 HG2 GLU 13 2HG GLU 13 4.353 9.561 1.697 108 HG3 GLU 13 3HG GLU 13 3.918 9.914 0.028 109 H GLU 14 H GLU 14 -0.129 9.509 -0.227 110 HA GLU 14 HA GLU 14 -2.286 9.515 1.596 111 HB2 GLU 14 2HB GLU 14 -3.726 10.022 -0.304 112 HB3 GLU 14 3HB GLU 14 -2.231 10.941 -0.440 113 HG2 GLU 14 2HG GLU 14 -1.383 9.387 -2.127 114 HG3 GLU 14 3HG GLU 14 -2.817 8.379 -1.950 115 H LEU 15 H LEU 15 -1.049 7.049 -0.603 116 HA LEU 15 HA LEU 15 -3.240 5.250 -0.472 117 HB2 LEU 15 2HB LEU 15 -0.281 4.732 -1.002 118 HB3 LEU 15 3HB LEU 15 -1.518 3.493 -1.138 119 HG LEU 15 HG LEU 15 -1.334 6.010 -2.840 120 HD11 LEU 15 1HD1 LEU 15 -0.812 4.509 -4.703 121 HD12 LEU 15 2HD1 LEU 15 -0.876 3.109 -3.628 122 HD13 LEU 15 3HD1 LEU 15 0.377 4.332 -3.412 123 HD21 LEU 15 3HD2 LEU 15 -3.669 5.446 -2.469 124 HD22 LEU 15 1HD2 LEU 15 -3.378 3.769 -2.944 125 HD23 LEU 15 2HD2 LEU 15 -3.220 5.066 -4.127 126 H LEU 16 H LEU 16 -0.565 5.908 1.691 127 HA LEU 16 HA LEU 16 -0.908 3.633 3.430 128 HB2 LEU 16 2HB LEU 16 0.365 6.324 4.079 129 HB3 LEU 16 3HB LEU 16 0.568 4.841 4.996 130 HG LEU 16 HG LEU 16 1.549 5.239 2.153 131 HD11 LEU 16 1HD1 LEU 16 3.128 5.373 4.732 132 HD12 LEU 16 2HD1 LEU 16 2.715 6.736 3.688 133 HD13 LEU 16 3HD1 LEU 16 3.789 5.471 3.097 134 HD21 LEU 16 3HD2 LEU 16 2.144 3.003 4.111 135 HD22 LEU 16 1HD2 LEU 16 2.842 3.195 2.500 136 HD23 LEU 16 2HD2 LEU 16 1.117 2.885 2.681 137 H GLU 17 H GLU 17 -2.033 6.987 3.411 138 HA GLU 17 HA GLU 17 -3.342 6.982 5.940 139 HB2 GLU 17 2HB GLU 17 -3.863 8.784 3.537 140 HB3 GLU 17 3HB GLU 17 -4.353 9.103 5.200 141 HG2 GLU 17 2HG GLU 17 -1.920 9.120 5.852 142 HG3 GLU 17 3HG GLU 17 -1.513 8.977 4.143 143 H ILE 18 H ILE 18 -4.629 6.645 2.622 144 HA ILE 18 HA ILE 18 -7.346 6.220 3.334 145 HB ILE 18 HB ILE 18 -5.906 5.379 0.752 146 HG12 ILE 18 2HG1 ILE 18 -7.535 7.926 1.254 147 HG13 ILE 18 3HG1 ILE 18 -5.779 7.861 1.278 148 HG21 ILE 18 1HG2 ILE 18 -8.170 5.395 -0.294 149 HG22 ILE 18 2HG2 ILE 18 -8.885 5.715 1.289 150 HG23 ILE 18 3HG2 ILE 18 -8.044 4.194 0.997 151 HD11 ILE 18 3HD1 ILE 18 -6.606 8.755 -0.815 152 HD12 ILE 18 1HD1 ILE 18 -7.515 7.273 -1.116 153 HD13 ILE 18 2HD1 ILE 18 -5.751 7.235 -1.074 154 H ALA 19 H ALA 19 -4.570 4.051 2.837 155 HA ALA 19 HA ALA 19 -5.803 1.573 3.177 156 HB1 ALA 19 3HB ALA 19 -3.486 1.752 2.571 157 HB2 ALA 19 1HB ALA 19 -3.615 0.821 4.057 158 HB3 ALA 19 2HB ALA 19 -3.084 2.503 4.118 159 H LEU 20 H LEU 20 -4.349 3.642 5.707 160 HA LEU 20 HA LEU 20 -4.871 2.043 7.918 161 HB2 LEU 20 2HB LEU 20 -3.293 3.913 7.991 162 HB3 LEU 20 3HB LEU 20 -4.588 5.068 7.729 163 HG LEU 20 HG LEU 20 -5.523 4.538 9.981 164 HD11 LEU 20 1HD1 LEU 20 -4.802 2.232 10.243 165 HD12 LEU 20 2HD1 LEU 20 -4.295 3.210 11.615 166 HD13 LEU 20 3HD1 LEU 20 -3.119 2.745 10.383 167 HD21 LEU 20 3HD2 LEU 20 -3.970 6.423 9.760 168 HD22 LEU 20 1HD2 LEU 20 -2.599 5.359 10.087 169 HD23 LEU 20 2HD2 LEU 20 -3.810 5.658 11.338 170 H LYS 21 H LYS 21 -6.968 4.464 6.365 171 HA LYS 21 HA LYS 21 -8.970 4.421 8.419 172 HB2 LYS 21 2HB LYS 21 -10.293 5.855 7.064 173 HB3 LYS 21 3HB LYS 21 -8.626 6.356 6.829 174 HG2 LYS 21 2HG LYS 21 -8.609 5.119 4.669 175 HG3 LYS 21 3HG LYS 21 -10.315 4.749 4.895 176 HD2 LYS 21 2HD LYS 21 -9.118 7.539 4.636 177 HD3 LYS 21 3HD LYS 21 -9.990 6.672 3.374 178 HE2 LYS 21 2HE LYS 21 -12.031 6.696 4.776 179 HE3 LYS 21 3HE LYS 21 -11.154 7.585 6.025 180 HZ1 LYS 21 3HZ LYS 21 -12.479 9.062 4.622 181 HZ2 LYS 21 1HZ LYS 21 -11.623 8.559 3.250 182 HZ3 LYS 21 2HZ LYS 21 -10.832 9.404 4.481 183 H PHE 22 H PHE 22 -8.515 2.577 5.385 184 HA PHE 22 HA PHE 22 -11.091 1.304 5.451 185 HB2 PHE 22 2HB PHE 22 -8.548 0.863 3.894 186 HB3 PHE 22 3HB PHE 22 -9.664 -0.494 3.987 187 HD1 PHE 22 HD1 PHE 22 -9.534 3.143 3.034 188 HD2 PHE 22 HD2 PHE 22 -11.494 -0.616 2.479 189 HE1 PHE 22 HE1 PHE 22 -10.838 4.095 1.183 190 HE2 PHE 22 HE2 PHE 22 -12.793 0.350 0.628 191 HZ PHE 22 HZ PHE 22 -12.468 2.700 -0.022 192 H ILE 23 H ILE 23 -7.897 0.458 6.702 193 HA ILE 23 HA ILE 23 -8.546 -2.119 7.720 194 HB ILE 23 HB ILE 23 -6.379 -0.161 8.636 195 HG12 ILE 23 2HG1 ILE 23 -6.120 -0.683 6.251 196 HG13 ILE 23 3HG1 ILE 23 -4.834 -1.455 7.164 197 HG21 ILE 23 1HG2 ILE 23 -5.199 -2.159 9.529 198 HG22 ILE 23 2HG2 ILE 23 -6.610 -3.148 9.159 199 HG23 ILE 23 3HG2 ILE 23 -6.730 -1.854 10.351 200 HD11 ILE 23 3HD1 ILE 23 -6.021 -3.609 6.964 201 HD12 ILE 23 1HD1 ILE 23 -5.640 -2.896 5.398 202 HD13 ILE 23 2HD1 ILE 23 -7.285 -2.811 6.023 203 H SER 24 H SER 24 -8.748 1.176 9.001 204 HA SER 24 HA SER 24 -9.528 0.596 11.655 205 HB2 SER 24 2HB SER 24 -8.670 2.808 10.873 206 HB3 SER 24 3HB SER 24 -10.174 3.073 9.990 207 HG SER 24 HG SER 24 -10.491 2.421 12.663 208 H GLN 25 H GLN 25 -11.320 0.704 8.646 209 HA GLN 25 HA GLN 25 -13.955 0.492 9.909 210 HB2 GLN 25 2HB GLN 25 -13.107 0.377 6.979 211 HB3 GLN 25 3HB GLN 25 -14.775 0.373 7.545 212 HG2 GLN 25 2HG GLN 25 -14.606 2.638 8.331 213 HG3 GLN 25 3HG GLN 25 -12.857 2.646 8.090 214 HE21 GLN 25 1HE2 GLN 25 -12.047 2.785 5.952 215 HE22 GLN 25 2HE2 GLN 25 -13.019 3.331 4.639 216 H GLY 26 H GLY 26 -11.432 -1.618 9.337 217 HA2 GLY 26 2HA GLY 26 -11.192 -3.896 9.281 218 HA3 GLY 26 3HA GLY 26 -12.873 -4.019 9.785 219 H LEU 27 H LEU 27 -11.578 -2.521 6.896 220 HA LEU 27 HA LEU 27 -12.990 -4.434 5.131 221 HB2 LEU 27 2HB LEU 27 -12.240 -1.513 4.620 222 HB3 LEU 27 3HB LEU 27 -13.067 -2.564 3.481 223 HG LEU 27 HG LEU 27 -14.192 -1.597 6.132 224 HD11 LEU 27 1HD1 LEU 27 -14.902 -0.751 3.305 225 HD12 LEU 27 2HD1 LEU 27 -14.064 0.221 4.522 226 HD13 LEU 27 3HD1 LEU 27 -15.743 -0.249 4.778 227 HD21 LEU 27 3HD2 LEU 27 -15.514 -3.305 4.003 228 HD22 LEU 27 1HD2 LEU 27 -16.327 -2.605 5.407 229 HD23 LEU 27 2HD2 LEU 27 -15.061 -3.808 5.632 230 H ASP 28 H ASP 28 -11.831 -5.270 3.401 231 HA ASP 28 HA ASP 28 -8.943 -5.118 3.428 232 HB2 ASP 28 2HB ASP 28 -10.771 -6.410 1.348 233 HB3 ASP 28 3HB ASP 28 -9.047 -6.706 1.548 234 H LEU 29 H LEU 29 -7.661 -4.101 1.880 235 HA LEU 29 HA LEU 29 -8.931 -2.448 -0.195 236 HB2 LEU 29 2HB LEU 29 -8.630 -0.934 1.787 237 HB3 LEU 29 3HB LEU 29 -6.909 -1.300 1.792 238 HG LEU 29 HG LEU 29 -6.714 -0.305 -0.505 239 HD11 LEU 29 1HD1 LEU 29 -9.600 0.514 -0.125 240 HD12 LEU 29 2HD1 LEU 29 -8.987 -0.658 -1.296 241 HD13 LEU 29 3HD1 LEU 29 -8.531 1.036 -1.427 242 HD21 LEU 29 3HD2 LEU 29 -6.912 2.045 0.156 243 HD22 LEU 29 1HD2 LEU 29 -6.179 1.071 1.429 244 HD23 LEU 29 2HD2 LEU 29 -7.863 1.576 1.567 245 H GLU 30 H GLU 30 -7.876 -2.734 -2.051 246 HA GLU 30 HA GLU 30 -5.051 -3.626 -2.017 247 HB2 GLU 30 2HB GLU 30 -6.716 -5.120 -3.133 248 HB3 GLU 30 3HB GLU 30 -7.149 -3.814 -4.233 249 HG2 GLU 30 2HG GLU 30 -4.926 -3.834 -5.214 250 HG3 GLU 30 3HG GLU 30 -4.368 -5.026 -4.039 251 H VAL 31 H VAL 31 -3.586 -2.181 -2.651 252 HA VAL 31 HA VAL 31 -4.387 0.178 -4.262 253 HB VAL 31 HB VAL 31 -2.464 1.404 -3.029 254 HG11 VAL 31 1HG1 VAL 31 -4.821 1.985 -2.641 255 HG12 VAL 31 2HG1 VAL 31 -3.905 2.090 -1.138 256 HG13 VAL 31 3HG1 VAL 31 -4.963 0.706 -1.427 257 HG21 VAL 31 3HG2 VAL 31 -1.917 0.624 -0.747 258 HG22 VAL 31 1HG2 VAL 31 -1.413 -0.549 -1.965 259 HG23 VAL 31 2HG2 VAL 31 -2.868 -0.841 -1.012 260 H GLU 32 H GLU 32 -3.474 0.096 -6.173 261 HA GLU 32 HA GLU 32 -0.850 -1.190 -6.586 262 HB2 GLU 32 2HB GLU 32 -2.670 -1.970 -8.086 263 HB3 GLU 32 3HB GLU 32 -2.948 -0.318 -8.630 264 HG2 GLU 32 2HG GLU 32 -0.688 -0.252 -9.623 265 HG3 GLU 32 3HG GLU 32 -0.374 -1.892 -9.054 266 H PHE 33 H PHE 33 0.758 0.200 -6.367 267 HA PHE 33 HA PHE 33 0.432 3.054 -6.583 268 HB2 PHE 33 2HB PHE 33 1.889 2.006 -4.864 269 HB3 PHE 33 3HB PHE 33 2.915 1.345 -6.130 270 HD1 PHE 33 HD1 PHE 33 1.450 4.787 -5.710 271 HD2 PHE 33 HD2 PHE 33 4.993 2.396 -5.858 272 HE1 PHE 33 HE1 PHE 33 2.833 6.812 -5.564 273 HE2 PHE 33 HE2 PHE 33 6.356 4.424 -5.718 274 HZ PHE 33 HZ PHE 33 5.289 6.635 -5.576 275 H ASP 34 H ASP 34 0.400 4.012 -8.508 276 HA ASP 34 HA ASP 34 1.401 2.655 -10.878 277 HB2 ASP 34 2HB ASP 34 -0.871 3.774 -10.814 278 HB3 ASP 34 3HB ASP 34 -0.050 5.328 -10.709 279 H SER 35 H SER 35 3.592 2.770 -10.229 280 HA SER 35 HA SER 35 4.994 5.013 -11.384 281 HB2 SER 35 2HB SER 35 4.767 5.767 -9.014 282 HB3 SER 35 3HB SER 35 5.536 4.276 -8.468 283 HG SER 35 HG SER 35 6.792 6.411 -8.923 284 H THR 36 H THR 36 6.638 4.220 -12.506 285 HA THR 36 HA THR 36 7.641 1.488 -12.083 286 HB THR 36 HB THR 36 8.803 1.819 -14.256 287 HG1 THR 36 HG1 THR 36 8.378 4.420 -13.720 288 HG21 THR 36 3HG2 THR 36 6.473 0.984 -14.301 289 HG22 THR 36 1HG2 THR 36 6.826 1.976 -15.715 290 HG23 THR 36 2HG2 THR 36 5.874 2.643 -14.388 291 H ASP 37 H ASP 37 8.344 4.347 -10.677 292 HA ASP 37 HA ASP 37 11.209 4.530 -11.252 293 HB2 ASP 37 2HB ASP 37 9.974 6.643 -11.020 294 HB3 ASP 37 3HB ASP 37 9.444 6.202 -9.400 295 H ASP 38 H ASP 38 12.641 3.379 -10.161 296 HA ASP 38 HA ASP 38 12.223 1.428 -8.313 297 HB2 ASP 38 2HB ASP 38 14.804 3.050 -8.531 298 HB3 ASP 38 3HB ASP 38 14.661 1.452 -7.809 299 H LYS 39 H LYS 39 13.299 4.714 -7.570 300 HA LYS 39 HA LYS 39 13.816 4.440 -4.833 301 HB2 LYS 39 2HB LYS 39 13.011 6.882 -6.467 302 HB3 LYS 39 3HB LYS 39 13.593 6.971 -4.813 303 HG2 LYS 39 2HG LYS 39 15.196 5.808 -7.107 304 HG3 LYS 39 3HG LYS 39 15.312 7.481 -6.573 305 HD2 LYS 39 2HD LYS 39 15.930 5.052 -4.854 306 HD3 LYS 39 3HD LYS 39 17.126 6.075 -5.652 307 HE2 LYS 39 2HE LYS 39 16.462 7.995 -4.309 308 HE3 LYS 39 3HE LYS 39 15.145 7.074 -3.576 309 HZ1 LYS 39 3HZ LYS 39 18.053 6.535 -3.263 310 HZ2 LYS 39 1HZ LYS 39 16.819 5.568 -2.628 311 HZ3 LYS 39 2HZ LYS 39 17.011 7.156 -2.085 312 H GLU 40 H GLU 40 10.909 5.652 -6.500 313 HA GLU 40 HA GLU 40 9.326 6.144 -4.215 314 HB2 GLU 40 2HB GLU 40 8.578 5.641 -7.117 315 HB3 GLU 40 3HB GLU 40 7.411 6.118 -5.890 316 HG2 GLU 40 2HG GLU 40 9.820 7.715 -6.764 317 HG3 GLU 40 3HG GLU 40 8.143 8.039 -7.192 318 H ILE 41 H ILE 41 9.746 3.229 -6.165 319 HA ILE 41 HA ILE 41 7.638 1.703 -4.997 320 HB ILE 41 HB ILE 41 10.135 0.867 -6.548 321 HG12 ILE 41 2HG1 ILE 41 7.234 1.128 -7.503 322 HG13 ILE 41 3HG1 ILE 41 8.475 2.345 -7.761 323 HG21 ILE 41 1HG2 ILE 41 7.719 -0.852 -5.888 324 HG22 ILE 41 2HG2 ILE 41 9.341 -1.047 -5.220 325 HG23 ILE 41 3HG2 ILE 41 9.055 -1.310 -6.941 326 HD11 ILE 41 3HD1 ILE 41 8.404 -0.427 -8.916 327 HD12 ILE 41 1HD1 ILE 41 9.756 0.692 -9.091 328 HD13 ILE 41 2HD1 ILE 41 8.178 1.097 -9.763 329 H GLU 42 H GLU 42 11.098 2.156 -4.233 330 HA GLU 42 HA GLU 42 11.391 0.271 -2.164 331 HB2 GLU 42 2HB GLU 42 12.704 3.013 -2.437 332 HB3 GLU 42 3HB GLU 42 13.242 1.756 -1.338 333 HG2 GLU 42 2HG GLU 42 13.244 1.541 -4.352 334 HG3 GLU 42 3HG GLU 42 14.642 1.966 -3.376 335 H GLU 43 H GLU 43 10.376 3.676 -2.144 336 HA GLU 43 HA GLU 43 9.816 4.068 0.546 337 HB2 GLU 43 2HB GLU 43 8.273 5.215 -1.818 338 HB3 GLU 43 3HB GLU 43 8.248 5.850 -0.181 339 HG2 GLU 43 2HG GLU 43 10.609 5.819 -2.066 340 HG3 GLU 43 3HG GLU 43 9.661 7.222 -1.581 341 H PHE 44 H PHE 44 7.613 2.899 -2.018 342 HA PHE 44 HA PHE 44 5.274 2.817 -0.448 343 HB2 PHE 44 2HB PHE 44 5.304 2.914 -2.931 344 HB3 PHE 44 3HB PHE 44 5.941 1.277 -2.998 345 HD1 PHE 44 HD1 PHE 44 3.011 3.109 -1.456 346 HD2 PHE 44 HD2 PHE 44 4.365 -0.395 -3.501 347 HE1 PHE 44 HE1 PHE 44 0.695 2.264 -1.556 348 HE2 PHE 44 HE2 PHE 44 2.052 -1.229 -3.590 349 HZ PHE 44 HZ PHE 44 0.221 0.097 -2.624 350 H GLU 45 H GLU 45 7.672 0.313 -1.243 351 HA GLU 45 HA GLU 45 6.434 -1.904 -0.017 352 HB2 GLU 45 2HB GLU 45 9.372 -1.308 -0.512 353 HB3 GLU 45 3HB GLU 45 8.770 -2.872 0.033 354 HG2 GLU 45 2HG GLU 45 7.525 -3.174 -2.030 355 HG3 GLU 45 3HG GLU 45 7.948 -1.550 -2.571 356 H ARG 46 H ARG 46 9.059 0.217 1.253 357 HA ARG 46 HA ARG 46 9.355 -1.082 3.711 358 HB2 ARG 46 2HB ARG 46 10.708 0.800 4.436 359 HB3 ARG 46 3HB ARG 46 11.036 0.540 2.730 360 HG2 ARG 46 2HG ARG 46 9.774 2.481 2.096 361 HG3 ARG 46 3HG ARG 46 9.087 2.641 3.707 362 HD2 ARG 46 2HD ARG 46 11.555 3.046 4.470 363 HD3 ARG 46 3HD ARG 46 11.862 3.351 2.750 364 HE ARG 46 HE ARG 46 9.577 4.797 3.745 365 HH11 ARG 46 1HH1 ARG 46 13.101 4.977 3.509 366 HH12 ARG 46 2HH1 ARG 46 13.124 6.704 3.668 367 HH21 ARG 46 1HH2 ARG 46 9.659 7.043 4.041 368 HH22 ARG 46 2HH2 ARG 46 11.180 7.870 3.972 369 H ASP 47 H ASP 47 7.440 1.742 2.844 370 HA ASP 47 HA ASP 47 6.353 2.297 5.361 371 HB2 ASP 47 2HB ASP 47 5.351 2.985 2.578 372 HB3 ASP 47 3HB ASP 47 4.682 3.664 4.054 373 H MET 48 H MET 48 5.110 0.194 2.731 374 HA MET 48 HA MET 48 2.617 -0.388 4.051 375 HB2 MET 48 2HB MET 48 4.034 -1.615 1.659 376 HB3 MET 48 3HB MET 48 2.615 -2.403 2.347 377 HG2 MET 48 2HG MET 48 2.710 0.428 1.268 378 HG3 MET 48 3HG MET 48 1.985 -0.975 0.473 379 HE1 MET 48 3HE MET 48 -1.114 1.244 1.649 380 HE2 MET 48 1HE MET 48 -0.242 0.609 0.253 381 HE3 MET 48 2HE MET 48 0.466 1.900 1.225 382 H GLU 49 H GLU 49 5.806 -1.850 4.087 383 HA GLU 49 HA GLU 49 5.265 -4.136 5.630 384 HB2 GLU 49 2HB GLU 49 7.748 -2.397 5.369 385 HB3 GLU 49 3HB GLU 49 7.723 -3.777 6.454 386 HG2 GLU 49 2HG GLU 49 7.171 -3.962 3.481 387 HG3 GLU 49 3HG GLU 49 8.755 -4.221 4.202 388 H ASP 50 H ASP 50 6.317 -0.881 6.708 389 HA ASP 50 HA ASP 50 6.068 -1.345 9.476 390 HB2 ASP 50 2HB ASP 50 6.162 1.176 7.786 391 HB3 ASP 50 3HB ASP 50 5.921 1.296 9.527 392 H LEU 51 H LEU 51 3.769 -0.056 7.109 393 HA LEU 51 HA LEU 51 1.742 0.808 8.881 394 HB2 LEU 51 2HB LEU 51 1.869 1.484 6.504 395 HB3 LEU 51 3HB LEU 51 1.550 -0.167 5.996 396 HG LEU 51 HG LEU 51 -0.747 -0.002 6.988 397 HD11 LEU 51 1HD1 LEU 51 -0.093 2.911 7.498 398 HD12 LEU 51 2HD1 LEU 51 -0.387 1.672 8.721 399 HD13 LEU 51 3HD1 LEU 51 -1.684 2.160 7.637 400 HD21 LEU 51 3HD2 LEU 51 -0.426 0.434 4.615 401 HD22 LEU 51 1HD2 LEU 51 -0.091 2.138 4.943 402 HD23 LEU 51 2HD2 LEU 51 -1.694 1.470 5.266 403 H ALA 52 H ALA 52 2.250 -2.275 7.159 404 HA ALA 52 HA ALA 52 0.031 -3.726 8.001 405 HB1 ALA 52 3HB ALA 52 1.339 -5.728 7.493 406 HB2 ALA 52 1HB ALA 52 2.837 -4.778 7.516 407 HB3 ALA 52 2HB ALA 52 1.616 -4.481 6.280 408 H LYS 53 H LYS 53 3.238 -3.516 9.527 409 HA LYS 53 HA LYS 53 2.734 -5.167 11.759 410 HB2 LYS 53 2HB LYS 53 4.675 -2.824 11.530 411 HB3 LYS 53 3HB LYS 53 4.719 -4.052 12.793 412 HG2 LYS 53 2HG LYS 53 5.144 -5.801 11.073 413 HG3 LYS 53 3HG LYS 53 5.106 -4.559 9.824 414 HD2 LYS 53 2HD LYS 53 7.421 -5.124 10.347 415 HD3 LYS 53 3HD LYS 53 7.086 -3.468 10.859 416 HE2 LYS 53 2HE LYS 53 8.430 -4.707 12.522 417 HE3 LYS 53 3HE LYS 53 6.874 -4.205 13.187 418 HZ1 LYS 53 3HZ LYS 53 7.423 -6.487 13.795 419 HZ2 LYS 53 1HZ LYS 53 7.529 -6.924 12.165 420 HZ3 LYS 53 2HZ LYS 53 6.045 -6.456 12.817 421 H LYS 54 H LYS 54 2.484 -1.618 11.473 422 HA LYS 54 HA LYS 54 1.788 -1.062 14.162 423 HB2 LYS 54 2HB LYS 54 1.341 0.559 11.616 424 HB3 LYS 54 3HB LYS 54 1.098 1.192 13.242 425 HG2 LYS 54 2HG LYS 54 3.445 1.035 13.762 426 HG3 LYS 54 3HG LYS 54 3.764 0.088 12.302 427 HD2 LYS 54 2HD LYS 54 4.522 2.407 11.996 428 HD3 LYS 54 3HD LYS 54 3.195 2.041 10.894 429 HE2 LYS 54 2HE LYS 54 1.628 3.220 12.414 430 HE3 LYS 54 3HE LYS 54 2.972 3.598 13.495 431 HZ1 LYS 54 3HZ LYS 54 2.659 4.515 10.683 432 HZ2 LYS 54 1HZ LYS 54 4.015 4.815 11.654 433 HZ3 LYS 54 2HZ LYS 54 2.514 5.463 12.079 434 H THR 55 H THR 55 -0.206 -1.991 11.412 435 HA THR 55 HA THR 55 -2.711 -1.356 12.804 436 HB THR 55 HB THR 55 -3.803 -2.223 10.711 437 HG1 THR 55 HG1 THR 55 -1.555 -2.172 9.165 438 HG21 THR 55 3HG2 THR 55 -3.302 0.193 10.906 439 HG22 THR 55 1HG2 THR 55 -3.144 -0.360 9.238 440 HG23 THR 55 2HG2 THR 55 -1.701 -0.077 10.211 441 H GLY 56 H GLY 56 -0.570 -4.062 12.353 442 HA2 GLY 56 2HA GLY 56 -0.710 -6.245 13.077 443 HA3 GLY 56 3HA GLY 56 -2.296 -5.914 13.754 444 H VAL 57 H VAL 57 -1.410 -5.347 10.400 445 HA VAL 57 HA VAL 57 -2.987 -7.706 9.523 446 HB VAL 57 HB VAL 57 -3.749 -6.594 7.574 447 HG11 VAL 57 1HG1 VAL 57 -5.008 -4.667 8.425 448 HG12 VAL 57 2HG1 VAL 57 -3.951 -4.588 9.841 449 HG13 VAL 57 3HG1 VAL 57 -4.992 -5.994 9.589 450 HG21 VAL 57 3HG2 VAL 57 -1.742 -5.431 6.832 451 HG22 VAL 57 1HG2 VAL 57 -1.874 -4.267 8.154 452 HG23 VAL 57 2HG2 VAL 57 -3.093 -4.300 6.876 453 H GLN 58 H GLN 58 -2.358 -8.498 7.303 454 HA GLN 58 HA GLN 58 0.578 -8.445 6.887 455 HB2 GLN 58 2HB GLN 58 -1.442 -10.602 6.105 456 HB3 GLN 58 3HB GLN 58 0.282 -10.655 5.756 457 HG2 GLN 58 2HG GLN 58 -0.930 -10.640 8.537 458 HG3 GLN 58 3HG GLN 58 -0.359 -12.075 7.692 459 HE21 GLN 58 1HE2 GLN 58 0.509 -10.888 10.243 460 HE22 GLN 58 2HE2 GLN 58 2.206 -10.623 10.087 461 H ILE 59 H ILE 59 1.296 -8.456 4.629 462 HA ILE 59 HA ILE 59 -0.586 -7.060 2.812 463 HB ILE 59 HB ILE 59 1.229 -5.904 1.781 464 HG12 ILE 59 2HG1 ILE 59 3.233 -7.576 3.376 465 HG13 ILE 59 3HG1 ILE 59 2.885 -7.774 1.661 466 HG21 ILE 59 1HG2 ILE 59 2.241 -4.615 3.585 467 HG22 ILE 59 2HG2 ILE 59 1.897 -5.904 4.740 468 HG23 ILE 59 3HG2 ILE 59 0.571 -5.004 4.007 469 HD11 ILE 59 3HD1 ILE 59 4.947 -6.547 1.989 470 HD12 ILE 59 1HD1 ILE 59 4.106 -5.324 2.944 471 HD13 ILE 59 2HD1 ILE 59 3.738 -5.517 1.226 472 H GLN 60 H GLN 60 -0.007 -7.408 0.438 473 HA GLN 60 HA GLN 60 1.435 -9.875 -0.207 474 HB2 GLN 60 2HB GLN 60 -0.934 -10.582 -0.136 475 HB3 GLN 60 3HB GLN 60 -1.387 -9.257 -1.200 476 HG2 GLN 60 2HG GLN 60 -1.322 -11.380 -2.423 477 HG3 GLN 60 3HG GLN 60 -0.103 -10.263 -3.041 478 HE21 GLN 60 1HE2 GLN 60 1.199 -11.888 -3.921 479 HE22 GLN 60 2HE2 GLN 60 2.084 -13.013 -2.950 480 H LYS 61 H LYS 61 3.109 -8.794 -1.200 481 HA LYS 61 HA LYS 61 2.722 -6.687 -3.121 482 HB2 LYS 61 2HB LYS 61 5.191 -8.453 -2.750 483 HB3 LYS 61 3HB LYS 61 5.117 -6.944 -3.648 484 HG2 LYS 61 2HG LYS 61 4.495 -5.822 -1.408 485 HG3 LYS 61 3HG LYS 61 4.979 -7.337 -0.649 486 HD2 LYS 61 2HD LYS 61 7.241 -7.076 -1.818 487 HD3 LYS 61 3HD LYS 61 6.729 -5.453 -2.285 488 HE2 LYS 61 2HE LYS 61 8.113 -5.287 -0.310 489 HE3 LYS 61 3HE LYS 61 6.456 -4.908 0.164 490 HZ1 LYS 61 3HZ LYS 61 7.796 -7.544 0.540 491 HZ2 LYS 61 1HZ LYS 61 6.228 -7.153 1.034 492 HZ3 LYS 61 2HZ LYS 61 7.560 -6.392 1.750 493 H GLN 62 H GLN 62 2.224 -6.918 -5.226 494 HA GLN 62 HA GLN 62 2.687 -9.448 -6.666 495 HB2 GLN 62 2HB GLN 62 0.337 -9.485 -5.817 496 HB3 GLN 62 3HB GLN 62 0.032 -7.917 -6.559 497 HG2 GLN 62 2HG GLN 62 0.551 -9.011 -8.806 498 HG3 GLN 62 3HG GLN 62 0.546 -10.560 -7.959 499 HE21 GLN 62 1HE2 GLN 62 -1.452 -11.315 -7.068 500 HE22 GLN 62 2HE2 GLN 62 -2.966 -10.732 -7.652 501 H TRP 63 H TRP 63 4.152 -8.624 -8.114 502 HA TRP 63 HA TRP 63 3.906 -6.066 -9.372 503 HB2 TRP 63 2HB TRP 63 5.627 -8.507 -9.952 504 HB3 TRP 63 3HB TRP 63 5.624 -7.110 -11.031 505 HD1 TRP 63 HD1 TRP 63 6.785 -8.146 -7.509 506 HE1 TRP 63 HE1 TRP 63 8.327 -6.313 -6.591 507 HE3 TRP 63 HE3 TRP 63 6.134 -4.605 -11.159 508 HZ2 TRP 63 HZ2 TRP 63 9.179 -3.735 -7.310 509 HZ3 TRP 63 HZ3 TRP 63 7.358 -2.475 -10.963 510 HH2 TRP 63 HH2 TRP 63 8.855 -2.064 -9.071 511 H GLN 64 H GLN 64 2.356 -5.562 -10.693 512 HA GLN 64 HA GLN 64 0.961 -7.601 -12.313 513 HB2 GLN 64 2HB GLN 64 -0.376 -6.311 -10.605 514 HB3 GLN 64 3HB GLN 64 0.054 -4.814 -11.422 515 HG2 GLN 64 2HG GLN 64 -2.165 -5.356 -12.077 516 HG3 GLN 64 3HG GLN 64 -1.145 -5.707 -13.469 517 HE21 GLN 64 1HE2 GLN 64 -3.818 -6.742 -12.706 518 HE22 GLN 64 2HE2 GLN 64 -3.661 -8.460 -12.706 519 H GLY 65 H GLY 65 2.557 -7.599 -13.905 520 HA2 GLY 65 2HA GLY 65 3.412 -7.003 -15.953 521 HA3 GLY 65 3HA GLY 65 2.470 -5.520 -15.901 522 H ASN 66 H ASN 66 3.304 -3.745 -14.599 523 HA ASN 66 HA ASN 66 6.227 -3.703 -14.145 524 HB2 ASN 66 2HB ASN 66 5.699 -3.091 -16.566 525 HB3 ASN 66 3HB ASN 66 4.795 -1.707 -15.971 526 HD21 ASN 66 1HD2 ASN 66 6.192 -0.377 -17.225 527 HD22 ASN 66 2HD2 ASN 66 7.791 0.000 -16.686 528 H LYS 67 H LYS 67 3.295 -3.168 -12.908 529 HA LYS 67 HA LYS 67 4.065 -0.815 -11.249 530 HB2 LYS 67 2HB LYS 67 1.240 -1.755 -11.962 531 HB3 LYS 67 3HB LYS 67 1.633 -0.372 -10.949 532 HG2 LYS 67 2HG LYS 67 2.338 -0.631 -13.883 533 HG3 LYS 67 3HG LYS 67 0.969 0.278 -13.244 534 HD2 LYS 67 2HD LYS 67 2.405 1.868 -12.173 535 HD3 LYS 67 3HD LYS 67 3.840 0.876 -12.450 536 HE2 LYS 67 2HE LYS 67 3.696 2.821 -13.977 537 HE3 LYS 67 3HE LYS 67 3.719 1.288 -14.840 538 HZ1 LYS 67 3HZ LYS 67 1.321 2.951 -14.295 539 HZ2 LYS 67 1HZ LYS 67 1.315 1.466 -15.095 540 HZ3 LYS 67 2HZ LYS 67 2.098 2.794 -15.784 541 H LEU 68 H LEU 68 3.967 -1.069 -9.013 542 HA LEU 68 HA LEU 68 3.804 -3.825 -8.050 543 HB2 LEU 68 2HB LEU 68 5.721 -2.456 -7.347 544 HB3 LEU 68 3HB LEU 68 4.644 -1.253 -6.647 545 HG LEU 68 HG LEU 68 3.866 -2.946 -4.975 546 HD11 LEU 68 1HD1 LEU 68 4.240 -5.009 -6.208 547 HD12 LEU 68 2HD1 LEU 68 5.067 -5.055 -4.654 548 HD13 LEU 68 3HD1 LEU 68 5.990 -4.772 -6.133 549 HD21 LEU 68 3HD2 LEU 68 5.861 -2.921 -3.574 550 HD22 LEU 68 1HD2 LEU 68 5.651 -1.377 -4.398 551 HD23 LEU 68 2HD2 LEU 68 6.865 -2.525 -4.971 552 H ARG 69 H ARG 69 1.856 -4.522 -7.593 553 HA ARG 69 HA ARG 69 -0.225 -2.846 -6.358 554 HB2 ARG 69 2HB ARG 69 -0.843 -4.063 -8.399 555 HB3 ARG 69 3HB ARG 69 -0.293 -5.587 -7.706 556 HG2 ARG 69 2HG ARG 69 -2.095 -5.444 -6.004 557 HG3 ARG 69 3HG ARG 69 -2.655 -3.939 -6.741 558 HD2 ARG 69 2HD ARG 69 -2.528 -6.626 -8.149 559 HD3 ARG 69 3HD ARG 69 -3.982 -5.906 -7.455 560 HE ARG 69 HE ARG 69 -2.490 -4.468 -9.552 561 HH11 ARG 69 1HH1 ARG 69 -5.460 -6.094 -8.555 562 HH12 ARG 69 2HH1 ARG 69 -6.363 -5.529 -9.925 563 HH21 ARG 69 1HH2 ARG 69 -3.699 -3.685 -11.292 564 HH22 ARG 69 2HH2 ARG 69 -5.363 -4.155 -11.481 565 H ILE 70 H ILE 70 -0.101 -2.886 -4.159 566 HA ILE 70 HA ILE 70 0.453 -5.457 -2.767 567 HB ILE 70 HB ILE 70 0.832 -2.600 -1.734 568 HG12 ILE 70 2HG1 ILE 70 2.848 -4.823 -2.339 569 HG13 ILE 70 3HG1 ILE 70 2.672 -3.303 -3.204 570 HG21 ILE 70 1HG2 ILE 70 1.231 -5.209 -0.215 571 HG22 ILE 70 2HG2 ILE 70 -0.037 -4.019 0.083 572 HG23 ILE 70 3HG2 ILE 70 1.649 -3.602 0.378 573 HD11 ILE 70 3HD1 ILE 70 3.663 -3.640 -0.371 574 HD12 ILE 70 1HD1 ILE 70 3.427 -2.094 -1.193 575 HD13 ILE 70 2HD1 ILE 70 4.619 -3.242 -1.799 576 H ARG 71 H ARG 71 -1.339 -6.409 -1.964 577 HA ARG 71 HA ARG 71 -3.706 -4.785 -1.297 578 HB2 ARG 71 2HB ARG 71 -4.230 -6.822 -2.560 579 HB3 ARG 71 3HB ARG 71 -3.363 -7.827 -1.399 580 HG2 ARG 71 2HG ARG 71 -5.026 -7.053 0.364 581 HG3 ARG 71 3HG ARG 71 -5.940 -6.280 -0.920 582 HD2 ARG 71 2HD ARG 71 -6.574 -8.369 -1.865 583 HD3 ARG 71 3HD ARG 71 -5.334 -9.246 -0.955 584 HE ARG 71 HE ARG 71 -7.225 -7.898 0.746 585 HH11 ARG 71 1HH1 ARG 71 -6.757 -10.865 -1.113 586 HH12 ARG 71 2HH1 ARG 71 -7.848 -11.788 -0.129 587 HH21 ARG 71 1HH2 ARG 71 -8.586 -9.163 2.091 588 HH22 ARG 71 2HH2 ARG 71 -8.885 -10.822 1.681 589 H LEU 72 H LEU 72 -4.336 -4.456 0.720 590 HA LEU 72 HA LEU 72 -2.942 -5.691 3.013 591 HB2 LEU 72 2HB LEU 72 -4.645 -3.168 3.014 592 HB3 LEU 72 3HB LEU 72 -3.644 -3.770 4.323 593 HG LEU 72 HG LEU 72 -2.689 -2.537 1.713 594 HD11 LEU 72 1HD1 LEU 72 -1.757 -0.795 3.150 595 HD12 LEU 72 2HD1 LEU 72 -2.411 -1.600 4.578 596 HD13 LEU 72 3HD1 LEU 72 -3.501 -0.935 3.361 597 HD21 LEU 72 3HD2 LEU 72 -0.400 -2.775 2.540 598 HD22 LEU 72 1HD2 LEU 72 -1.161 -4.347 2.295 599 HD23 LEU 72 2HD2 LEU 72 -0.981 -3.700 3.927 600 H LYS 73 H LYS 73 -4.176 -6.916 4.338 601 HA LYS 73 HA LYS 73 -7.062 -7.241 3.779 602 HB2 LYS 73 2HB LYS 73 -6.809 -9.352 5.146 603 HB3 LYS 73 3HB LYS 73 -5.864 -9.311 3.667 604 HG2 LYS 73 2HG LYS 73 -3.953 -8.420 5.332 605 HG3 LYS 73 3HG LYS 73 -4.937 -9.282 6.515 606 HD2 LYS 73 2HD LYS 73 -3.205 -10.777 5.702 607 HD3 LYS 73 3HD LYS 73 -4.763 -11.346 5.098 608 HE2 LYS 73 2HE LYS 73 -4.284 -10.219 2.912 609 HE3 LYS 73 3HE LYS 73 -2.696 -9.755 3.530 610 HZ1 LYS 73 3HZ LYS 73 -2.636 -11.768 2.142 611 HZ2 LYS 73 1HZ LYS 73 -3.641 -12.567 3.244 612 HZ3 LYS 73 2HZ LYS 73 -2.096 -12.072 3.715 613 H GLY 74 H GLY 74 -8.511 -7.503 5.756 614 HA2 GLY 74 2HA GLY 74 -8.381 -5.002 7.104 615 HA3 GLY 74 3HA GLY 74 -9.584 -6.249 7.346 616 H SER 75 H SER 75 -8.104 -8.329 8.339 617 HA SER 75 HA SER 75 -6.385 -7.770 10.523 618 HB2 SER 75 2HB SER 75 -8.020 -8.148 12.402 619 HB3 SER 75 3HB SER 75 -8.358 -6.659 11.514 620 HG SER 75 HG SER 75 -9.758 -8.320 10.227 621 H LEU 76 H LEU 76 -5.736 -9.754 11.608 622 HA LEU 76 HA LEU 76 -6.746 -12.241 10.298 623 HB2 LEU 76 2HB LEU 76 -3.905 -11.632 11.255 624 HB3 LEU 76 3HB LEU 76 -4.445 -13.199 10.686 625 HG LEU 76 HG LEU 76 -3.234 -12.236 8.863 626 HD11 LEU 76 1HD1 LEU 76 -4.853 -12.079 7.069 627 HD12 LEU 76 2HD1 LEU 76 -6.161 -11.826 8.221 628 HD13 LEU 76 3HD1 LEU 76 -5.297 -13.365 8.192 629 HD21 LEU 76 3HD2 LEU 76 -3.201 -9.893 9.652 630 HD22 LEU 76 1HD2 LEU 76 -4.860 -9.682 9.091 631 HD23 LEU 76 2HD2 LEU 76 -3.568 -10.021 7.936 632 H GLU 77 H GLU 77 -4.699 -11.516 13.089 633 HA GLU 77 HA GLU 77 -5.540 -13.541 14.835 634 HB2 GLU 77 2HB GLU 77 -4.292 -12.348 16.562 635 HB3 GLU 77 3HB GLU 77 -3.410 -12.283 15.051 636 HG2 GLU 77 2HG GLU 77 -5.033 -10.029 16.250 637 HG3 GLU 77 3HG GLU 77 -3.282 -10.158 16.230 638 H HIS 78 H HIS 78 -7.132 -10.593 14.052 639 HA HIS 78 HA HIS 78 -8.574 -10.227 16.539 640 HB2 HIS 78 2HB HIS 78 -7.827 -8.373 14.971 641 HB3 HIS 78 3HB HIS 78 -9.066 -8.901 13.839 642 HD1 HIS 78 HD1 HIS 78 -11.473 -8.187 14.330 643 HD2 HIS 78 HD2 HIS 78 -8.803 -7.061 17.301 644 HE1 HIS 78 HE1 HIS 78 -12.715 -6.549 15.762 645 HE2 HIS 78 HE2 HIS 78 -11.159 -6.073 17.673 646 H HIS 79 H HIS 79 -8.966 -12.824 15.294 647 HA HIS 79 HA HIS 79 -11.923 -12.855 15.240 648 HB2 HIS 79 2HB HIS 79 -10.060 -14.553 13.510 649 HB3 HIS 79 3HB HIS 79 -11.800 -14.802 13.657 650 HD1 HIS 79 HD1 HIS 79 -9.274 -12.731 11.902 651 HD2 HIS 79 HD2 HIS 79 -13.391 -12.776 12.404 652 HE1 HIS 79 HE1 HIS 79 -10.172 -11.126 10.205 653 HE2 HIS 79 HE2 HIS 79 -12.662 -11.348 10.380 654 H HIS 80 H HIS 80 -12.620 -13.958 16.923 655 HA HIS 80 HA HIS 80 -10.993 -15.585 18.627 656 HB2 HIS 80 2HB HIS 80 -14.011 -15.134 18.555 657 HB3 HIS 80 3HB HIS 80 -13.185 -16.048 19.810 658 HD1 HIS 80 HD1 HIS 80 -12.422 -14.755 21.782 659 HD2 HIS 80 HD2 HIS 80 -13.185 -12.272 18.534 660 HE1 HIS 80 HE1 HIS 80 -12.222 -12.412 22.663 661 HE2 HIS 80 HE2 HIS 80 -12.514 -10.942 20.651 662 H HIS 81 H HIS 81 -10.192 -17.198 17.199 663 HA HIS 81 HA HIS 81 -11.783 -18.785 15.470 664 HB2 HIS 81 2HB HIS 81 -9.424 -18.366 15.006 665 HB3 HIS 81 3HB HIS 81 -8.942 -19.187 16.484 666 HD1 HIS 81 HD1 HIS 81 -7.880 -21.339 15.846 667 HD2 HIS 81 HD2 HIS 81 -11.157 -20.497 13.429 668 HE1 HIS 81 HE1 HIS 81 -8.126 -23.315 14.325 669 HE2 HIS 81 HE2 HIS 81 -10.170 -22.834 12.960 670 H HIS 82 H HIS 82 -13.438 -19.593 16.704 671 HA HIS 82 HA HIS 82 -12.903 -22.138 18.040 672 HB2 HIS 82 2HB HIS 82 -14.522 -19.889 19.336 673 HB3 HIS 82 3HB HIS 82 -14.590 -21.569 19.863 674 HD1 HIS 82 HD1 HIS 82 -12.944 -18.491 20.646 675 HD2 HIS 82 HD2 HIS 82 -11.843 -22.500 20.704 676 HE1 HIS 82 HE1 HIS 82 -10.918 -18.622 22.124 677 HE2 HIS 82 HE2 HIS 82 -10.247 -21.038 22.110 678 H HIS 83 H HIS 83 -15.036 -23.309 18.405 679 HA HIS 83 HA HIS 83 -17.270 -22.452 16.741 680 HB2 HIS 83 2HB HIS 83 -17.432 -24.699 15.615 681 HB3 HIS 83 3HB HIS 83 -16.043 -23.742 15.110 682 HD1 HIS 83 HD1 HIS 83 -13.751 -24.450 16.466 683 HD2 HIS 83 HD2 HIS 83 -16.750 -27.304 16.159 684 HE1 HIS 83 HE1 HIS 83 -12.622 -26.646 16.880 685 HE2 HIS 83 HE2 HIS 83 -14.411 -28.358 16.479 Start of MODEL 19 1 H1 MET 1 1H MET 1 -18.501 -3.272 0.540 2 H2 MET 1 2H MET 1 -19.785 -3.021 1.602 3 H3 MET 1 3H MET 1 -19.424 -4.578 1.069 4 HA MET 1 HA MET 1 -17.675 -2.880 2.734 5 HB2 MET 1 2HB MET 1 -19.365 -5.315 3.463 6 HB3 MET 1 3HB MET 1 -18.152 -4.604 4.526 7 HG2 MET 1 2HG MET 1 -20.635 -3.202 3.510 8 HG3 MET 1 3HG MET 1 -20.410 -3.868 5.133 9 HE1 MET 1 3HE MET 1 -21.280 -0.800 4.546 10 HE2 MET 1 1HE MET 1 -20.264 0.052 5.707 11 HE3 MET 1 2HE MET 1 -21.073 -1.442 6.177 12 H GLY 2 H GLY 2 -18.241 -6.297 1.745 13 HA2 GLY 2 2HA GLY 2 -15.416 -6.964 2.121 14 HA3 GLY 2 3HA GLY 2 -16.735 -8.070 1.779 15 H LEU 3 H LEU 3 -16.033 -5.188 -0.131 16 HA LEU 3 HA LEU 3 -15.141 -6.857 -2.408 17 HB2 LEU 3 2HB LEU 3 -16.543 -4.146 -2.357 18 HB3 LEU 3 3HB LEU 3 -15.837 -4.832 -3.811 19 HG LEU 3 HG LEU 3 -18.138 -6.035 -2.223 20 HD11 LEU 3 1HD1 LEU 3 -19.559 -5.474 -4.143 21 HD12 LEU 3 2HD1 LEU 3 -18.196 -4.686 -4.942 22 HD13 LEU 3 3HD1 LEU 3 -18.837 -4.029 -3.435 23 HD21 LEU 3 3HD2 LEU 3 -18.342 -7.688 -4.038 24 HD22 LEU 3 1HD2 LEU 3 -16.782 -7.806 -3.223 25 HD23 LEU 3 2HD2 LEU 3 -16.893 -7.034 -4.807 26 H THR 4 H THR 4 -13.000 -6.913 -2.269 27 HA THR 4 HA THR 4 -11.314 -4.835 -1.265 28 HB THR 4 HB THR 4 -10.544 -7.352 -2.828 29 HG1 THR 4 HG1 THR 4 -11.145 -6.886 -0.090 30 HG21 THR 4 3HG2 THR 4 -8.647 -5.763 -2.599 31 HG22 THR 4 1HG2 THR 4 -8.394 -7.203 -1.612 32 HG23 THR 4 2HG2 THR 4 -8.908 -5.694 -0.855 33 H ARG 5 H ARG 5 -11.749 -3.059 -2.519 34 HA ARG 5 HA ARG 5 -11.597 -2.939 -5.392 35 HB2 ARG 5 2HB ARG 5 -11.855 -0.482 -5.034 36 HB3 ARG 5 3HB ARG 5 -13.077 -1.420 -4.182 37 HG2 ARG 5 2HG ARG 5 -11.985 -1.084 -2.064 38 HG3 ARG 5 3HG ARG 5 -10.563 -0.386 -2.838 39 HD2 ARG 5 2HD ARG 5 -13.332 0.855 -2.840 40 HD3 ARG 5 3HD ARG 5 -11.999 1.318 -1.776 41 HE ARG 5 HE ARG 5 -11.253 1.446 -4.531 42 HH11 ARG 5 1HH1 ARG 5 -12.975 3.272 -2.032 43 HH12 ARG 5 2HH1 ARG 5 -12.687 4.796 -2.818 44 HH21 ARG 5 1HH2 ARG 5 -10.896 3.447 -5.517 45 HH22 ARG 5 2HH2 ARG 5 -11.517 4.895 -4.783 46 H THR 6 H THR 6 -10.127 -1.283 -6.482 47 HA THR 6 HA THR 6 -7.353 -1.577 -5.490 48 HB THR 6 HB THR 6 -8.182 -1.626 -8.430 49 HG1 THR 6 HG1 THR 6 -7.618 -3.793 -6.649 50 HG21 THR 6 3HG2 THR 6 -5.562 -2.405 -7.084 51 HG22 THR 6 1HG2 THR 6 -5.836 -0.922 -8.002 52 HG23 THR 6 2HG2 THR 6 -5.910 -2.487 -8.812 53 H ILE 7 H ILE 7 -6.486 0.353 -5.065 54 HA ILE 7 HA ILE 7 -7.459 2.807 -6.401 55 HB ILE 7 HB ILE 7 -5.912 2.516 -3.776 56 HG12 ILE 7 2HG1 ILE 7 -8.882 3.111 -4.226 57 HG13 ILE 7 3HG1 ILE 7 -8.216 1.617 -3.580 58 HG21 ILE 7 1HG2 ILE 7 -5.458 4.671 -4.894 59 HG22 ILE 7 2HG2 ILE 7 -6.383 4.904 -3.414 60 HG23 ILE 7 3HG2 ILE 7 -7.193 5.007 -4.979 61 HD11 ILE 7 3HD1 ILE 7 -9.150 2.966 -1.824 62 HD12 ILE 7 1HD1 ILE 7 -8.110 4.322 -2.259 63 HD13 ILE 7 2HD1 ILE 7 -7.404 2.837 -1.617 64 H THR 8 H THR 8 -6.169 3.461 -8.018 65 HA THR 8 HA THR 8 -3.304 2.747 -8.086 66 HB THR 8 HB THR 8 -3.471 3.355 -10.544 67 HG1 THR 8 HG1 THR 8 -5.208 4.505 -10.962 68 HG21 THR 8 3HG2 THR 8 -5.389 1.169 -9.645 69 HG22 THR 8 1HG2 THR 8 -3.646 0.982 -9.849 70 HG23 THR 8 2HG2 THR 8 -4.668 1.313 -11.249 71 H SER 9 H SER 9 -2.065 4.372 -7.254 72 HA SER 9 HA SER 9 -2.636 7.174 -8.023 73 HB2 SER 9 2HB SER 9 -1.997 6.292 -5.185 74 HB3 SER 9 3HB SER 9 -2.271 7.946 -5.724 75 HG SER 9 HG SER 9 -4.365 6.713 -6.527 76 H GLN 10 H GLN 10 -0.901 8.473 -8.238 77 HA GLN 10 HA GLN 10 1.695 7.284 -8.705 78 HB2 GLN 10 2HB GLN 10 0.712 10.163 -8.965 79 HB3 GLN 10 3HB GLN 10 2.245 9.549 -9.579 80 HG2 GLN 10 2HG GLN 10 1.084 8.098 -11.161 81 HG3 GLN 10 3HG GLN 10 -0.476 8.571 -10.499 82 HE21 GLN 10 1HE2 GLN 10 2.241 9.625 -12.450 83 HE22 GLN 10 2HE2 GLN 10 1.445 10.974 -13.176 84 H ASN 11 H ASN 11 0.188 8.658 -6.027 85 HA ASN 11 HA ASN 11 2.745 9.350 -4.699 86 HB2 ASN 11 2HB ASN 11 1.285 11.305 -4.888 87 HB3 ASN 11 3HB ASN 11 -0.065 10.418 -4.190 88 HD21 ASN 11 1HD2 ASN 11 -0.321 11.928 -2.508 89 HD22 ASN 11 2HD2 ASN 11 0.813 12.071 -1.206 90 H LYS 12 H LYS 12 3.369 7.872 -3.251 91 HA LYS 12 HA LYS 12 1.682 5.762 -2.306 92 HB2 LYS 12 2HB LYS 12 3.690 4.926 -1.121 93 HB3 LYS 12 3HB LYS 12 4.012 5.316 -2.801 94 HG2 LYS 12 2HG LYS 12 5.910 6.198 -1.860 95 HG3 LYS 12 3HG LYS 12 4.871 7.622 -1.777 96 HD2 LYS 12 2HD LYS 12 4.330 7.037 0.600 97 HD3 LYS 12 3HD LYS 12 5.440 5.668 0.491 98 HE2 LYS 12 2HE LYS 12 7.311 7.244 0.049 99 HE3 LYS 12 3HE LYS 12 6.192 8.600 0.191 100 HZ1 LYS 12 3HZ LYS 12 7.279 8.373 2.257 101 HZ2 LYS 12 1HZ LYS 12 7.010 6.706 2.317 102 HZ3 LYS 12 2HZ LYS 12 5.719 7.769 2.494 103 H GLU 13 H GLU 13 2.467 8.906 -1.023 104 HA GLU 13 HA GLU 13 2.080 8.431 1.738 105 HB2 GLU 13 2HB GLU 13 1.784 10.938 0.041 106 HB3 GLU 13 3HB GLU 13 1.584 10.956 1.788 107 HG2 GLU 13 2HG GLU 13 4.112 10.045 0.387 108 HG3 GLU 13 3HG GLU 13 3.838 11.685 0.964 109 H GLU 14 H GLU 14 -0.190 9.739 -0.741 110 HA GLU 14 HA GLU 14 -2.433 9.781 0.990 111 HB2 GLU 14 2HB GLU 14 -3.805 10.127 -1.024 112 HB3 GLU 14 3HB GLU 14 -2.385 11.164 -1.021 113 HG2 GLU 14 2HG GLU 14 -1.276 9.588 -2.615 114 HG3 GLU 14 3HG GLU 14 -2.762 8.644 -2.660 115 H LEU 15 H LEU 15 -1.031 7.255 -1.035 116 HA LEU 15 HA LEU 15 -3.145 5.384 -0.849 117 HB2 LEU 15 2HB LEU 15 -0.156 5.036 -1.269 118 HB3 LEU 15 3HB LEU 15 -1.242 3.656 -1.214 119 HG LEU 15 HG LEU 15 -1.426 5.934 -3.233 120 HD11 LEU 15 1HD1 LEU 15 -0.444 3.089 -3.650 121 HD12 LEU 15 2HD1 LEU 15 0.553 4.545 -3.641 122 HD13 LEU 15 3HD1 LEU 15 -0.650 4.316 -4.907 123 HD21 LEU 15 3HD2 LEU 15 -3.618 4.983 -2.737 124 HD22 LEU 15 1HD2 LEU 15 -3.014 3.354 -3.053 125 HD23 LEU 15 2HD2 LEU 15 -3.107 4.536 -4.361 126 H LEU 16 H LEU 16 -0.587 6.275 1.418 127 HA LEU 16 HA LEU 16 -0.937 4.072 3.253 128 HB2 LEU 16 2HB LEU 16 0.347 6.810 3.644 129 HB3 LEU 16 3HB LEU 16 0.382 5.540 4.858 130 HG LEU 16 HG LEU 16 1.631 5.315 2.098 131 HD11 LEU 16 1HD1 LEU 16 3.794 5.613 3.196 132 HD12 LEU 16 2HD1 LEU 16 2.995 5.860 4.751 133 HD13 LEU 16 3HD1 LEU 16 2.762 7.022 3.443 134 HD21 LEU 16 3HD2 LEU 16 1.898 3.475 4.498 135 HD22 LEU 16 1HD2 LEU 16 2.718 3.297 2.946 136 HD23 LEU 16 2HD2 LEU 16 0.968 3.138 3.038 137 H GLU 17 H GLU 17 -2.092 7.417 3.127 138 HA GLU 17 HA GLU 17 -3.405 7.433 5.659 139 HB2 GLU 17 2HB GLU 17 -3.819 9.247 3.250 140 HB3 GLU 17 3HB GLU 17 -4.338 9.590 4.901 141 HG2 GLU 17 2HG GLU 17 -2.020 9.691 5.657 142 HG3 GLU 17 3HG GLU 17 -1.445 9.227 4.054 143 H ILE 18 H ILE 18 -4.634 7.152 2.315 144 HA ILE 18 HA ILE 18 -7.372 6.764 2.965 145 HB ILE 18 HB ILE 18 -5.839 5.968 0.432 146 HG12 ILE 18 2HG1 ILE 18 -7.528 8.471 0.963 147 HG13 ILE 18 3HG1 ILE 18 -5.772 8.426 0.971 148 HG21 ILE 18 1HG2 ILE 18 -8.017 5.898 -0.719 149 HG22 ILE 18 2HG2 ILE 18 -8.850 6.224 0.801 150 HG23 ILE 18 3HG2 ILE 18 -7.957 4.717 0.593 151 HD11 ILE 18 3HD1 ILE 18 -6.606 9.360 -1.090 152 HD12 ILE 18 1HD1 ILE 18 -7.531 7.894 -1.417 153 HD13 ILE 18 2HD1 ILE 18 -5.767 7.841 -1.397 154 H ALA 19 H ALA 19 -4.619 4.518 2.483 155 HA ALA 19 HA ALA 19 -5.883 2.069 2.797 156 HB1 ALA 19 3HB ALA 19 -3.502 2.217 2.349 157 HB2 ALA 19 1HB ALA 19 -3.785 1.230 3.778 158 HB3 ALA 19 2HB ALA 19 -3.206 2.892 3.952 159 H LEU 20 H LEU 20 -4.561 4.155 5.364 160 HA LEU 20 HA LEU 20 -5.214 2.632 7.591 161 HB2 LEU 20 2HB LEU 20 -3.641 4.574 7.568 162 HB3 LEU 20 3HB LEU 20 -5.009 5.663 7.409 163 HG LEU 20 HG LEU 20 -5.833 4.910 9.660 164 HD11 LEU 20 1HD1 LEU 20 -4.392 3.644 11.166 165 HD12 LEU 20 2HD1 LEU 20 -3.221 3.390 9.868 166 HD13 LEU 20 3HD1 LEU 20 -4.839 2.691 9.752 167 HD21 LEU 20 3HD2 LEU 20 -4.207 6.159 11.010 168 HD22 LEU 20 1HD2 LEU 20 -4.519 6.975 9.478 169 HD23 LEU 20 2HD2 LEU 20 -3.022 6.070 9.705 170 H LYS 21 H LYS 21 -7.231 4.878 5.759 171 HA LYS 21 HA LYS 21 -9.472 5.116 7.440 172 HB2 LYS 21 2HB LYS 21 -9.274 6.466 5.405 173 HB3 LYS 21 3HB LYS 21 -9.311 5.031 4.391 174 HG2 LYS 21 2HG LYS 21 -11.660 4.608 5.120 175 HG3 LYS 21 3HG LYS 21 -11.623 6.094 6.065 176 HD2 LYS 21 2HD LYS 21 -11.154 6.047 3.055 177 HD3 LYS 21 3HD LYS 21 -12.758 6.205 3.762 178 HE2 LYS 21 2HE LYS 21 -12.045 8.411 3.223 179 HE3 LYS 21 3HE LYS 21 -11.905 8.272 4.973 180 HZ1 LYS 21 3HZ LYS 21 -9.998 9.380 3.991 181 HZ2 LYS 21 1HZ LYS 21 -9.664 8.027 3.037 182 HZ3 LYS 21 2HZ LYS 21 -9.528 7.932 4.719 183 H PHE 22 H PHE 22 -8.785 2.670 4.910 184 HA PHE 22 HA PHE 22 -11.234 1.199 5.334 185 HB2 PHE 22 2HB PHE 22 -8.735 0.583 3.703 186 HB3 PHE 22 3HB PHE 22 -10.080 -0.547 3.817 187 HD1 PHE 22 HD1 PHE 22 -9.182 2.903 2.707 188 HD2 PHE 22 HD2 PHE 22 -12.021 -0.279 2.424 189 HE1 PHE 22 HE1 PHE 22 -10.315 4.080 0.868 190 HE2 PHE 22 HE2 PHE 22 -13.147 0.905 0.578 191 HZ PHE 22 HZ PHE 22 -12.299 3.082 -0.196 192 H ILE 23 H ILE 23 -7.902 0.889 6.450 193 HA ILE 23 HA ILE 23 -8.118 -1.756 7.484 194 HB ILE 23 HB ILE 23 -6.102 0.412 8.275 195 HG12 ILE 23 2HG1 ILE 23 -5.994 0.090 5.850 196 HG13 ILE 23 3HG1 ILE 23 -4.566 -0.612 6.584 197 HG21 ILE 23 1HG2 ILE 23 -4.627 -1.456 8.923 198 HG22 ILE 23 2HG2 ILE 23 -5.902 -2.615 8.540 199 HG23 ILE 23 3HG2 ILE 23 -6.123 -1.462 9.859 200 HD11 ILE 23 3HD1 ILE 23 -5.550 -2.851 6.284 201 HD12 ILE 23 1HD1 ILE 23 -5.381 -1.972 4.765 202 HD13 ILE 23 2HD1 ILE 23 -6.964 -2.113 5.527 203 H SER 24 H SER 24 -8.503 1.516 8.853 204 HA SER 24 HA SER 24 -9.027 0.882 11.535 205 HB2 SER 24 2HB SER 24 -8.606 3.179 10.718 206 HB3 SER 24 3HB SER 24 -10.162 3.185 9.885 207 HG SER 24 HG SER 24 -10.889 2.615 12.240 208 H GLN 25 H GLN 25 -11.113 0.747 8.707 209 HA GLN 25 HA GLN 25 -13.586 0.361 10.187 210 HB2 GLN 25 2HB GLN 25 -12.966 0.119 7.213 211 HB3 GLN 25 3HB GLN 25 -14.577 0.037 7.916 212 HG2 GLN 25 2HG GLN 25 -14.454 2.363 8.614 213 HG3 GLN 25 3HG GLN 25 -12.767 2.459 8.113 214 HE21 GLN 25 1HE2 GLN 25 -12.285 2.538 5.889 215 HE22 GLN 25 2HE2 GLN 25 -13.470 2.952 4.708 216 H GLY 26 H GLY 26 -10.973 -1.639 9.339 217 HA2 GLY 26 2HA GLY 26 -10.655 -3.921 9.620 218 HA3 GLY 26 3HA GLY 26 -12.358 -4.089 10.019 219 H LEU 27 H LEU 27 -11.412 -2.487 7.122 220 HA LEU 27 HA LEU 27 -12.651 -4.559 5.434 221 HB2 LEU 27 2HB LEU 27 -11.892 -1.674 4.803 222 HB3 LEU 27 3HB LEU 27 -12.692 -2.768 3.684 223 HG LEU 27 HG LEU 27 -13.876 -1.748 6.289 224 HD11 LEU 27 1HD1 LEU 27 -15.379 -0.406 4.879 225 HD12 LEU 27 2HD1 LEU 27 -14.505 -0.925 3.435 226 HD13 LEU 27 3HD1 LEU 27 -13.691 0.052 4.661 227 HD21 LEU 27 3HD2 LEU 27 -14.732 -3.967 5.766 228 HD22 LEU 27 1HD2 LEU 27 -15.151 -3.456 4.129 229 HD23 LEU 27 2HD2 LEU 27 -15.987 -2.758 5.520 230 H ASP 28 H ASP 28 -11.604 -5.504 3.745 231 HA ASP 28 HA ASP 28 -8.718 -5.363 3.518 232 HB2 ASP 28 2HB ASP 28 -10.821 -6.918 1.938 233 HB3 ASP 28 3HB ASP 28 -9.092 -7.023 1.623 234 H LEU 29 H LEU 29 -7.614 -4.396 1.905 235 HA LEU 29 HA LEU 29 -9.029 -2.813 -0.143 236 HB2 LEU 29 2HB LEU 29 -8.465 -1.312 1.810 237 HB3 LEU 29 3HB LEU 29 -6.772 -1.742 1.631 238 HG LEU 29 HG LEU 29 -6.740 -0.681 -0.623 239 HD11 LEU 29 1HD1 LEU 29 -9.582 0.195 -0.046 240 HD12 LEU 29 2HD1 LEU 29 -9.083 -0.994 -1.255 241 HD13 LEU 29 3HD1 LEU 29 -8.586 0.685 -1.418 242 HD21 LEU 29 3HD2 LEU 29 -6.840 1.654 0.105 243 HD22 LEU 29 1HD2 LEU 29 -6.068 0.641 1.323 244 HD23 LEU 29 2HD2 LEU 29 -7.733 1.183 1.553 245 H GLU 30 H GLU 30 -7.655 -2.350 -1.983 246 HA GLU 30 HA GLU 30 -5.034 -3.727 -2.086 247 HB2 GLU 30 2HB GLU 30 -6.989 -5.027 -3.180 248 HB3 GLU 30 3HB GLU 30 -7.086 -3.716 -4.352 249 HG2 GLU 30 2HG GLU 30 -4.805 -4.196 -5.119 250 HG3 GLU 30 3HG GLU 30 -4.641 -5.457 -3.893 251 H VAL 31 H VAL 31 -3.542 -2.226 -2.583 252 HA VAL 31 HA VAL 31 -4.325 0.210 -4.083 253 HB VAL 31 HB VAL 31 -2.384 1.345 -2.776 254 HG11 VAL 31 1HG1 VAL 31 -4.720 1.949 -2.394 255 HG12 VAL 31 2HG1 VAL 31 -3.851 1.920 -0.857 256 HG13 VAL 31 3HG1 VAL 31 -4.927 0.584 -1.285 257 HG21 VAL 31 3HG2 VAL 31 -2.851 -1.020 -0.919 258 HG22 VAL 31 1HG2 VAL 31 -1.901 0.416 -0.523 259 HG23 VAL 31 2HG2 VAL 31 -1.369 -0.667 -1.807 260 H GLU 32 H GLU 32 -3.383 0.325 -5.966 261 HA GLU 32 HA GLU 32 -0.827 -1.050 -6.493 262 HB2 GLU 32 2HB GLU 32 -2.723 -1.694 -7.950 263 HB3 GLU 32 3HB GLU 32 -2.915 -0.020 -8.464 264 HG2 GLU 32 2HG GLU 32 -0.727 -0.051 -9.547 265 HG3 GLU 32 3HG GLU 32 -0.390 -1.665 -8.931 266 H PHE 33 H PHE 33 0.899 0.195 -6.515 267 HA PHE 33 HA PHE 33 0.724 3.071 -6.480 268 HB2 PHE 33 2HB PHE 33 2.281 1.776 -5.005 269 HB3 PHE 33 3HB PHE 33 3.177 1.260 -6.431 270 HD1 PHE 33 HD1 PHE 33 1.780 4.619 -5.469 271 HD2 PHE 33 HD2 PHE 33 5.270 2.291 -6.282 272 HE1 PHE 33 HE1 PHE 33 3.174 6.630 -5.267 273 HE2 PHE 33 HE2 PHE 33 6.643 4.303 -6.081 274 HZ PHE 33 HZ PHE 33 5.608 6.473 -5.578 275 H ASP 34 H ASP 34 0.499 4.117 -8.309 276 HA ASP 34 HA ASP 34 1.280 3.038 -10.890 277 HB2 ASP 34 2HB ASP 34 -0.971 4.095 -10.503 278 HB3 ASP 34 3HB ASP 34 -0.173 5.628 -10.199 279 H SER 35 H SER 35 3.576 3.146 -10.395 280 HA SER 35 HA SER 35 4.760 5.577 -11.450 281 HB2 SER 35 2HB SER 35 4.700 6.052 -9.013 282 HB3 SER 35 3HB SER 35 5.596 4.566 -8.699 283 HG SER 35 HG SER 35 6.685 6.809 -8.991 284 H THR 36 H THR 36 6.687 5.238 -12.456 285 HA THR 36 HA THR 36 7.685 2.490 -12.770 286 HB THR 36 HB THR 36 8.938 3.510 -14.738 287 HG1 THR 36 HG1 THR 36 8.998 5.687 -14.174 288 HG21 THR 36 3HG2 THR 36 5.920 3.922 -14.811 289 HG22 THR 36 1HG2 THR 36 6.750 2.391 -15.104 290 HG23 THR 36 2HG2 THR 36 6.982 3.745 -16.209 291 H ASP 37 H ASP 37 8.305 4.909 -10.691 292 HA ASP 37 HA ASP 37 11.236 4.970 -10.859 293 HB2 ASP 37 2HB ASP 37 9.912 7.067 -10.395 294 HB3 ASP 37 3HB ASP 37 9.388 6.373 -8.865 295 H ASP 38 H ASP 38 12.243 3.279 -9.989 296 HA ASP 38 HA ASP 38 11.218 1.294 -8.372 297 HB2 ASP 38 2HB ASP 38 14.165 2.061 -8.572 298 HB3 ASP 38 3HB ASP 38 13.520 0.487 -8.112 299 H LYS 39 H LYS 39 13.099 4.123 -7.343 300 HA LYS 39 HA LYS 39 13.551 3.385 -4.649 301 HB2 LYS 39 2HB LYS 39 13.425 6.125 -5.979 302 HB3 LYS 39 3HB LYS 39 13.954 5.867 -4.321 303 HG2 LYS 39 2HG LYS 39 15.883 4.571 -5.083 304 HG3 LYS 39 3HG LYS 39 15.315 4.667 -6.756 305 HD2 LYS 39 2HD LYS 39 17.134 6.318 -6.294 306 HD3 LYS 39 3HD LYS 39 15.626 7.100 -6.775 307 HE2 LYS 39 2HE LYS 39 15.133 7.576 -4.380 308 HE3 LYS 39 3HE LYS 39 16.675 6.842 -3.931 309 HZ1 LYS 39 3HZ LYS 39 16.351 9.224 -5.681 310 HZ2 LYS 39 1HZ LYS 39 17.819 8.536 -5.198 311 HZ3 LYS 39 2HZ LYS 39 16.806 9.254 -4.052 312 H GLU 40 H GLU 40 10.992 5.280 -6.216 313 HA GLU 40 HA GLU 40 9.488 6.013 -3.939 314 HB2 GLU 40 2HB GLU 40 8.718 5.605 -6.854 315 HB3 GLU 40 3HB GLU 40 7.601 6.218 -5.646 316 HG2 GLU 40 2HG GLU 40 10.199 7.546 -6.404 317 HG3 GLU 40 3HG GLU 40 8.624 7.973 -7.068 318 H ILE 41 H ILE 41 9.399 3.193 -6.073 319 HA ILE 41 HA ILE 41 7.134 1.873 -5.030 320 HB ILE 41 HB ILE 41 9.574 0.856 -6.554 321 HG12 ILE 41 2HG1 ILE 41 6.695 1.302 -7.496 322 HG13 ILE 41 3HG1 ILE 41 8.023 2.420 -7.770 323 HG21 ILE 41 1HG2 ILE 41 7.088 -0.739 -5.878 324 HG22 ILE 41 2HG2 ILE 41 8.722 -1.040 -5.280 325 HG23 ILE 41 3HG2 ILE 41 8.356 -1.244 -6.991 326 HD11 ILE 41 3HD1 ILE 41 9.157 0.736 -9.138 327 HD12 ILE 41 1HD1 ILE 41 7.556 1.132 -9.758 328 HD13 ILE 41 2HD1 ILE 41 7.809 -0.377 -8.882 329 H GLU 42 H GLU 42 10.587 1.709 -4.147 330 HA GLU 42 HA GLU 42 10.374 -0.414 -2.256 331 HB2 GLU 42 2HB GLU 42 12.494 1.763 -2.546 332 HB3 GLU 42 3HB GLU 42 12.645 0.351 -1.500 333 HG2 GLU 42 2HG GLU 42 12.598 -1.142 -3.424 334 HG3 GLU 42 3HG GLU 42 12.300 0.214 -4.509 335 H GLU 43 H GLU 43 10.193 3.137 -2.008 336 HA GLU 43 HA GLU 43 9.865 3.405 0.762 337 HB2 GLU 43 2HB GLU 43 8.532 4.994 -1.474 338 HB3 GLU 43 3HB GLU 43 8.498 5.457 0.222 339 HG2 GLU 43 2HG GLU 43 10.974 5.244 -1.499 340 HG3 GLU 43 3HG GLU 43 10.145 6.733 -1.065 341 H PHE 44 H PHE 44 7.481 2.740 -1.797 342 HA PHE 44 HA PHE 44 5.150 2.777 -0.208 343 HB2 PHE 44 2HB PHE 44 5.090 3.069 -2.638 344 HB3 PHE 44 3HB PHE 44 5.755 1.466 -2.897 345 HD1 PHE 44 HD1 PHE 44 2.752 3.160 -1.358 346 HD2 PHE 44 HD2 PHE 44 4.257 -0.277 -3.408 347 HE1 PHE 44 HE1 PHE 44 0.464 2.276 -1.585 348 HE2 PHE 44 HE2 PHE 44 1.968 -1.149 -3.623 349 HZ PHE 44 HZ PHE 44 0.073 0.126 -2.716 350 H GLU 45 H GLU 45 7.376 0.157 -1.131 351 HA GLU 45 HA GLU 45 6.006 -2.045 -0.071 352 HB2 GLU 45 2HB GLU 45 9.008 -1.568 -0.340 353 HB3 GLU 45 3HB GLU 45 8.293 -3.125 0.083 354 HG2 GLU 45 2HG GLU 45 7.051 -3.095 -2.078 355 HG3 GLU 45 3HG GLU 45 7.877 -1.600 -2.497 356 H ARG 46 H ARG 46 8.704 -0.249 1.441 357 HA ARG 46 HA ARG 46 8.562 -1.641 3.889 358 HB2 ARG 46 2HB ARG 46 10.152 0.101 4.748 359 HB3 ARG 46 3HB ARG 46 10.651 -0.643 3.235 360 HG2 ARG 46 2HG ARG 46 9.780 1.360 2.018 361 HG3 ARG 46 3HG ARG 46 9.432 2.107 3.576 362 HD2 ARG 46 2HD ARG 46 11.524 2.954 2.683 363 HD3 ARG 46 3HD ARG 46 11.841 2.016 4.141 364 HE ARG 46 HE ARG 46 12.433 0.144 2.516 365 HH11 ARG 46 1HH1 ARG 46 12.990 3.543 1.731 366 HH12 ARG 46 2HH1 ARG 46 14.313 3.187 0.666 367 HH21 ARG 46 1HH2 ARG 46 14.194 -0.263 1.126 368 HH22 ARG 46 2HH2 ARG 46 14.993 1.051 0.326 369 H ASP 47 H ASP 47 7.225 1.540 2.955 370 HA ASP 47 HA ASP 47 6.150 2.266 5.424 371 HB2 ASP 47 2HB ASP 47 5.369 2.958 2.590 372 HB3 ASP 47 3HB ASP 47 4.422 3.570 3.938 373 H MET 48 H MET 48 4.568 0.396 2.795 374 HA MET 48 HA MET 48 2.094 -0.005 4.175 375 HB2 MET 48 2HB MET 48 3.354 -1.471 1.831 376 HB3 MET 48 3HB MET 48 1.812 -1.990 2.514 377 HG2 MET 48 2HG MET 48 2.395 0.744 1.351 378 HG3 MET 48 3HG MET 48 1.460 -0.544 0.581 379 HE1 MET 48 3HE MET 48 -1.297 2.129 1.533 380 HE2 MET 48 1HE MET 48 -0.476 1.290 0.217 381 HE3 MET 48 2HE MET 48 0.368 2.544 1.127 382 H GLU 49 H GLU 49 5.088 -1.859 4.162 383 HA GLU 49 HA GLU 49 4.166 -4.077 5.692 384 HB2 GLU 49 2HB GLU 49 6.978 -2.952 5.311 385 HB3 GLU 49 3HB GLU 49 6.630 -4.458 6.163 386 HG2 GLU 49 2HG GLU 49 5.633 -5.405 4.119 387 HG3 GLU 49 3HG GLU 49 5.943 -3.897 3.263 388 H ASP 50 H ASP 50 5.782 -1.035 6.632 389 HA ASP 50 HA ASP 50 5.855 -1.557 9.418 390 HB2 ASP 50 2HB ASP 50 6.153 0.942 7.727 391 HB3 ASP 50 3HB ASP 50 5.934 1.136 9.461 392 H LEU 51 H LEU 51 3.455 -0.056 7.310 393 HA LEU 51 HA LEU 51 1.533 0.718 9.217 394 HB2 LEU 51 2HB LEU 51 1.470 1.427 6.848 395 HB3 LEU 51 3HB LEU 51 1.164 -0.225 6.342 396 HG LEU 51 HG LEU 51 -1.057 -0.158 7.468 397 HD11 LEU 51 1HD1 LEU 51 -2.008 1.958 8.284 398 HD12 LEU 51 2HD1 LEU 51 -0.439 2.744 8.089 399 HD13 LEU 51 3HD1 LEU 51 -0.631 1.429 9.250 400 HD21 LEU 51 3HD2 LEU 51 -0.630 2.081 5.457 401 HD22 LEU 51 1HD2 LEU 51 -2.181 1.342 5.863 402 HD23 LEU 51 2HD2 LEU 51 -0.925 0.378 5.091 403 H ALA 52 H ALA 52 2.075 -2.357 7.519 404 HA ALA 52 HA ALA 52 -0.098 -3.826 8.584 405 HB1 ALA 52 3HB ALA 52 1.097 -5.813 7.779 406 HB2 ALA 52 1HB ALA 52 2.573 -4.857 7.568 407 HB3 ALA 52 2HB ALA 52 1.154 -4.522 6.581 408 H LYS 53 H LYS 53 3.244 -3.338 9.747 409 HA LYS 53 HA LYS 53 3.112 -5.074 11.978 410 HB2 LYS 53 2HB LYS 53 4.991 -2.982 11.010 411 HB3 LYS 53 3HB LYS 53 4.924 -3.076 12.763 412 HG2 LYS 53 2HG LYS 53 6.703 -4.502 12.107 413 HG3 LYS 53 3HG LYS 53 5.374 -5.566 12.558 414 HD2 LYS 53 2HD LYS 53 6.253 -6.533 10.592 415 HD3 LYS 53 3HD LYS 53 4.821 -5.670 10.035 416 HE2 LYS 53 2HE LYS 53 6.625 -5.289 8.475 417 HE3 LYS 53 3HE LYS 53 6.314 -3.778 9.329 418 HZ1 LYS 53 3HZ LYS 53 8.671 -4.174 9.143 419 HZ2 LYS 53 1HZ LYS 53 8.526 -5.689 9.882 420 HZ3 LYS 53 2HZ LYS 53 8.222 -4.285 10.768 421 H LYS 54 H LYS 54 2.543 -1.579 11.691 422 HA LYS 54 HA LYS 54 1.926 -0.828 14.273 423 HB2 LYS 54 2HB LYS 54 0.868 0.139 11.590 424 HB3 LYS 54 3HB LYS 54 0.375 0.913 13.091 425 HG2 LYS 54 2HG LYS 54 2.633 1.638 13.554 426 HG3 LYS 54 3HG LYS 54 3.272 0.682 12.213 427 HD2 LYS 54 2HD LYS 54 3.082 3.148 11.721 428 HD3 LYS 54 3HD LYS 54 2.224 2.117 10.577 429 HE2 LYS 54 2HE LYS 54 0.943 4.156 11.228 430 HE3 LYS 54 3HE LYS 54 0.089 2.661 11.620 431 HZ1 LYS 54 3HZ LYS 54 -0.012 4.294 13.425 432 HZ2 LYS 54 1HZ LYS 54 1.673 4.287 13.541 433 HZ3 LYS 54 2HZ LYS 54 0.795 2.895 13.915 434 H THR 55 H THR 55 -0.231 -2.276 11.873 435 HA THR 55 HA THR 55 -2.539 -2.179 13.687 436 HB THR 55 HB THR 55 -3.830 -2.858 11.642 437 HG1 THR 55 HG1 THR 55 -1.840 -2.302 9.855 438 HG21 THR 55 3HG2 THR 55 -2.035 -0.425 11.245 439 HG22 THR 55 1HG2 THR 55 -3.556 -0.451 12.147 440 HG23 THR 55 2HG2 THR 55 -3.556 -0.725 10.405 441 H GLY 56 H GLY 56 -0.054 -4.350 12.887 442 HA2 GLY 56 2HA GLY 56 0.313 -6.545 13.474 443 HA3 GLY 56 3HA GLY 56 -1.210 -6.524 14.346 444 H VAL 57 H VAL 57 -1.122 -5.724 10.974 445 HA VAL 57 HA VAL 57 -2.460 -8.269 10.212 446 HB VAL 57 HB VAL 57 -3.568 -7.144 8.406 447 HG11 VAL 57 1HG1 VAL 57 -4.636 -6.868 10.583 448 HG12 VAL 57 2HG1 VAL 57 -4.942 -5.462 9.562 449 HG13 VAL 57 3HG1 VAL 57 -3.743 -5.368 10.859 450 HG21 VAL 57 3HG2 VAL 57 -3.265 -4.736 7.852 451 HG22 VAL 57 1HG2 VAL 57 -1.797 -5.678 7.583 452 HG23 VAL 57 2HG2 VAL 57 -1.932 -4.649 9.008 453 H GLN 58 H GLN 58 -2.106 -8.538 7.617 454 HA GLN 58 HA GLN 58 0.814 -8.381 7.069 455 HB2 GLN 58 2HB GLN 58 -1.057 -10.725 6.445 456 HB3 GLN 58 3HB GLN 58 0.671 -10.645 6.067 457 HG2 GLN 58 2HG GLN 58 1.161 -10.492 8.515 458 HG3 GLN 58 3HG GLN 58 -0.563 -10.658 8.835 459 HE21 GLN 58 1HE2 GLN 58 1.241 -12.489 6.390 460 HE22 GLN 58 2HE2 GLN 58 1.051 -14.022 7.161 461 H ILE 59 H ILE 59 1.311 -8.690 4.640 462 HA ILE 59 HA ILE 59 -0.830 -7.579 2.924 463 HB ILE 59 HB ILE 59 0.602 -5.975 1.849 464 HG12 ILE 59 2HG1 ILE 59 2.944 -6.939 3.560 465 HG13 ILE 59 3HG1 ILE 59 2.720 -7.331 1.864 466 HG21 ILE 59 1HG2 ILE 59 1.071 -5.715 4.841 467 HG22 ILE 59 2HG2 ILE 59 -0.364 -5.177 3.968 468 HG23 ILE 59 3HG2 ILE 59 1.191 -4.406 3.660 469 HD11 ILE 59 3HD1 ILE 59 2.947 -4.952 1.292 470 HD12 ILE 59 1HD1 ILE 59 4.363 -5.582 2.132 471 HD13 ILE 59 2HD1 ILE 59 3.205 -4.575 2.998 472 H GLN 60 H GLN 60 -0.221 -7.710 0.564 473 HA GLN 60 HA GLN 60 1.487 -10.020 -0.155 474 HB2 GLN 60 2HB GLN 60 -0.820 -10.830 -0.229 475 HB3 GLN 60 3HB GLN 60 -1.349 -9.414 -1.129 476 HG2 GLN 60 2HG GLN 60 -1.239 -11.364 -2.584 477 HG3 GLN 60 3HG GLN 60 -0.049 -10.169 -3.091 478 HE21 GLN 60 1HE2 GLN 60 -0.516 -13.334 -1.670 479 HE22 GLN 60 2HE2 GLN 60 1.114 -13.883 -1.847 480 H LYS 61 H LYS 61 2.885 -9.501 -1.808 481 HA LYS 61 HA LYS 61 2.520 -6.917 -3.232 482 HB2 LYS 61 2HB LYS 61 5.074 -8.533 -2.746 483 HB3 LYS 61 3HB LYS 61 4.982 -7.025 -3.653 484 HG2 LYS 61 2HG LYS 61 4.275 -5.831 -1.598 485 HG3 LYS 61 3HG LYS 61 4.392 -7.345 -0.691 486 HD2 LYS 61 2HD LYS 61 6.813 -7.477 -1.244 487 HD3 LYS 61 3HD LYS 61 6.688 -5.950 -2.122 488 HE2 LYS 61 2HE LYS 61 6.126 -4.775 -0.056 489 HE3 LYS 61 3HE LYS 61 6.135 -6.298 0.843 490 HZ1 LYS 61 3HZ LYS 61 8.478 -5.160 -0.585 491 HZ2 LYS 61 1HZ LYS 61 8.469 -6.555 0.371 492 HZ3 LYS 61 2HZ LYS 61 8.211 -5.042 1.073 493 H GLN 62 H GLN 62 2.059 -7.040 -5.364 494 HA GLN 62 HA GLN 62 2.955 -9.330 -6.988 495 HB2 GLN 62 2HB GLN 62 0.614 -9.794 -6.332 496 HB3 GLN 62 3HB GLN 62 0.112 -8.204 -6.896 497 HG2 GLN 62 2HG GLN 62 -0.514 -9.908 -8.521 498 HG3 GLN 62 3HG GLN 62 0.704 -8.836 -9.214 499 HE21 GLN 62 1HE2 GLN 62 1.555 -10.261 -10.696 500 HE22 GLN 62 2HE2 GLN 62 2.363 -11.727 -10.271 501 H TRP 63 H TRP 63 4.068 -8.515 -8.661 502 HA TRP 63 HA TRP 63 3.679 -5.775 -9.629 503 HB2 TRP 63 2HB TRP 63 5.673 -7.949 -10.414 504 HB3 TRP 63 3HB TRP 63 5.635 -6.338 -11.121 505 HD1 TRP 63 HD1 TRP 63 6.208 -7.960 -7.602 506 HE1 TRP 63 HE1 TRP 63 7.890 -6.480 -6.329 507 HE3 TRP 63 HE3 TRP 63 6.760 -4.180 -11.029 508 HZ2 TRP 63 HZ2 TRP 63 9.281 -4.065 -6.727 509 HZ3 TRP 63 HZ3 TRP 63 8.296 -2.326 -10.504 510 HH2 TRP 63 HH2 TRP 63 9.526 -2.274 -8.395 511 H GLN 64 H GLN 64 2.861 -5.264 -11.671 512 HA GLN 64 HA GLN 64 2.364 -7.314 -13.685 513 HB2 GLN 64 2HB GLN 64 0.262 -7.299 -12.368 514 HB3 GLN 64 3HB GLN 64 0.157 -5.551 -12.510 515 HG2 GLN 64 2HG GLN 64 -1.434 -6.557 -14.022 516 HG3 GLN 64 3HG GLN 64 -0.155 -5.801 -14.973 517 HE21 GLN 64 1HE2 GLN 64 1.273 -7.132 -16.138 518 HE22 GLN 64 2HE2 GLN 64 0.951 -8.801 -16.425 519 H GLY 65 H GLY 65 3.570 -6.423 -15.244 520 HA2 GLY 65 2HA GLY 65 4.347 -4.985 -16.845 521 HA3 GLY 65 3HA GLY 65 2.832 -4.118 -16.670 522 H ASN 66 H ASN 66 5.480 -4.637 -14.367 523 HA ASN 66 HA ASN 66 6.905 -3.328 -13.230 524 HB2 ASN 66 2HB ASN 66 7.654 -2.725 -15.525 525 HB3 ASN 66 3HB ASN 66 6.531 -1.378 -15.551 526 HD21 ASN 66 1HD2 ASN 66 9.423 -2.658 -14.007 527 HD22 ASN 66 2HD2 ASN 66 10.050 -1.136 -13.487 528 H LYS 67 H LYS 67 4.012 -3.194 -12.759 529 HA LYS 67 HA LYS 67 3.966 -0.736 -11.105 530 HB2 LYS 67 2HB LYS 67 1.630 -2.274 -12.339 531 HB3 LYS 67 3HB LYS 67 1.437 -1.061 -11.077 532 HG2 LYS 67 2HG LYS 67 2.585 -0.549 -13.835 533 HG3 LYS 67 3HG LYS 67 0.953 -0.144 -13.291 534 HD2 LYS 67 2HD LYS 67 1.958 1.330 -11.527 535 HD3 LYS 67 3HD LYS 67 3.554 0.996 -12.205 536 HE2 LYS 67 2HE LYS 67 1.268 2.298 -13.707 537 HE3 LYS 67 3HE LYS 67 2.599 3.162 -12.944 538 HZ1 LYS 67 3HZ LYS 67 2.828 1.218 -15.163 539 HZ2 LYS 67 1HZ LYS 67 4.126 2.007 -14.430 540 HZ3 LYS 67 2HZ LYS 67 2.976 2.893 -15.293 541 H LEU 68 H LEU 68 4.029 -1.112 -8.963 542 HA LEU 68 HA LEU 68 3.797 -3.871 -7.983 543 HB2 LEU 68 2HB LEU 68 5.744 -2.616 -7.197 544 HB3 LEU 68 3HB LEU 68 4.713 -1.323 -6.592 545 HG LEU 68 HG LEU 68 3.676 -2.994 -4.990 546 HD11 LEU 68 1HD1 LEU 68 5.936 -4.828 -5.837 547 HD12 LEU 68 2HD1 LEU 68 4.212 -5.083 -6.120 548 HD13 LEU 68 3HD1 LEU 68 4.839 -5.082 -4.474 549 HD21 LEU 68 3HD2 LEU 68 6.639 -2.552 -4.648 550 HD22 LEU 68 1HD2 LEU 68 5.464 -2.889 -3.375 551 HD23 LEU 68 2HD2 LEU 68 5.365 -1.385 -4.286 552 H ARG 69 H ARG 69 1.799 -4.440 -7.592 553 HA ARG 69 HA ARG 69 -0.131 -2.668 -6.252 554 HB2 ARG 69 2HB ARG 69 -0.873 -3.827 -8.323 555 HB3 ARG 69 3HB ARG 69 -0.495 -5.388 -7.595 556 HG2 ARG 69 2HG ARG 69 -2.243 -5.007 -5.880 557 HG3 ARG 69 3HG ARG 69 -2.625 -3.446 -6.623 558 HD2 ARG 69 2HD ARG 69 -4.206 -5.195 -7.318 559 HD3 ARG 69 3HD ARG 69 -3.297 -4.583 -8.701 560 HE ARG 69 HE ARG 69 -1.821 -6.684 -8.118 561 HH11 ARG 69 1HH1 ARG 69 -5.350 -6.531 -8.163 562 HH12 ARG 69 2HH1 ARG 69 -5.517 -8.206 -8.592 563 HH21 ARG 69 1HH2 ARG 69 -2.087 -8.860 -8.705 564 HH22 ARG 69 2HH2 ARG 69 -3.680 -9.511 -8.895 565 H ILE 70 H ILE 70 -0.068 -2.793 -4.107 566 HA ILE 70 HA ILE 70 0.570 -5.343 -2.738 567 HB ILE 70 HB ILE 70 0.756 -2.477 -1.686 568 HG12 ILE 70 2HG1 ILE 70 2.878 -4.629 -2.178 569 HG13 ILE 70 3HG1 ILE 70 2.699 -3.102 -3.031 570 HG21 ILE 70 1HG2 ILE 70 -0.169 -3.907 0.085 571 HG22 ILE 70 2HG2 ILE 70 1.478 -3.425 0.479 572 HG23 ILE 70 3HG2 ILE 70 1.157 -5.055 -0.120 573 HD11 ILE 70 3HD1 ILE 70 3.533 -3.439 -0.151 574 HD12 ILE 70 1HD1 ILE 70 3.302 -1.895 -0.978 575 HD13 ILE 70 2HD1 ILE 70 4.560 -3.005 -1.516 576 H ARG 71 H ARG 71 -1.111 -6.381 -1.915 577 HA ARG 71 HA ARG 71 -3.698 -5.060 -1.540 578 HB2 ARG 71 2HB ARG 71 -3.570 -7.245 -2.768 579 HB3 ARG 71 3HB ARG 71 -2.944 -8.015 -1.312 580 HG2 ARG 71 2HG ARG 71 -5.142 -7.197 -0.176 581 HG3 ARG 71 3HG ARG 71 -5.718 -6.905 -1.817 582 HD2 ARG 71 2HD ARG 71 -5.376 -9.277 -2.364 583 HD3 ARG 71 3HD ARG 71 -4.760 -9.573 -0.739 584 HE ARG 71 HE ARG 71 -7.482 -9.456 -1.557 585 HH11 ARG 71 1HH1 ARG 71 -5.482 -8.642 1.258 586 HH12 ARG 71 2HH1 ARG 71 -6.810 -8.804 2.367 587 HH21 ARG 71 1HH2 ARG 71 -9.140 -9.718 -0.070 588 HH22 ARG 71 2HH2 ARG 71 -8.864 -9.412 1.618 589 H LEU 72 H LEU 72 -4.377 -4.517 0.375 590 HA LEU 72 HA LEU 72 -2.934 -5.246 2.844 591 HB2 LEU 72 2HB LEU 72 -4.867 -2.946 2.335 592 HB3 LEU 72 3HB LEU 72 -3.842 -3.163 3.747 593 HG LEU 72 HG LEU 72 -2.833 -2.597 0.930 594 HD11 LEU 72 1HD1 LEU 72 -2.307 -0.355 1.721 595 HD12 LEU 72 2HD1 LEU 72 -3.025 -0.716 3.293 596 HD13 LEU 72 3HD1 LEU 72 -4.034 -0.680 1.844 597 HD21 LEU 72 3HD2 LEU 72 -0.648 -2.192 1.979 598 HD22 LEU 72 1HD2 LEU 72 -1.188 -3.856 2.209 599 HD23 LEU 72 2HD2 LEU 72 -1.297 -2.703 3.541 600 H LYS 73 H LYS 73 -4.119 -6.049 4.587 601 HA LYS 73 HA LYS 73 -7.070 -6.311 4.331 602 HB2 LYS 73 2HB LYS 73 -6.751 -8.227 6.014 603 HB3 LYS 73 3HB LYS 73 -6.159 -8.505 4.387 604 HG2 LYS 73 2HG LYS 73 -3.869 -7.615 5.482 605 HG3 LYS 73 3HG LYS 73 -4.638 -8.224 6.948 606 HD2 LYS 73 2HD LYS 73 -3.221 -9.948 5.947 607 HD3 LYS 73 3HD LYS 73 -4.913 -10.437 5.879 608 HE2 LYS 73 2HE LYS 73 -4.988 -9.696 3.497 609 HE3 LYS 73 3HE LYS 73 -3.262 -9.327 3.589 610 HZ1 LYS 73 3HZ LYS 73 -2.787 -11.617 4.007 611 HZ2 LYS 73 1HZ LYS 73 -3.757 -11.530 2.635 612 HZ3 LYS 73 2HZ LYS 73 -4.424 -12.013 4.107 613 H GLY 74 H GLY 74 -8.356 -5.685 6.048 614 HA2 GLY 74 2HA GLY 74 -7.312 -3.612 7.760 615 HA3 GLY 74 3HA GLY 74 -8.968 -4.201 7.703 616 H SER 75 H SER 75 -8.011 -6.973 8.029 617 HA SER 75 HA SER 75 -6.801 -7.261 10.611 618 HB2 SER 75 2HB SER 75 -8.881 -8.266 11.677 619 HB3 SER 75 3HB SER 75 -8.987 -6.526 11.395 620 HG SER 75 HG SER 75 -10.001 -7.257 9.290 621 H LEU 76 H LEU 76 -6.716 -9.496 11.269 622 HA LEU 76 HA LEU 76 -7.482 -11.625 9.370 623 HB2 LEU 76 2HB LEU 76 -4.777 -11.175 10.698 624 HB3 LEU 76 3HB LEU 76 -5.274 -12.790 10.229 625 HG LEU 76 HG LEU 76 -5.016 -10.481 8.260 626 HD11 LEU 76 1HD1 LEU 76 -3.018 -12.683 8.816 627 HD12 LEU 76 2HD1 LEU 76 -2.841 -10.979 9.245 628 HD13 LEU 76 3HD1 LEU 76 -2.911 -11.454 7.551 629 HD21 LEU 76 3HD2 LEU 76 -5.287 -13.470 7.794 630 HD22 LEU 76 1HD2 LEU 76 -5.082 -12.237 6.546 631 HD23 LEU 76 2HD2 LEU 76 -6.546 -12.262 7.527 632 H GLU 77 H GLU 77 -7.680 -13.737 10.565 633 HA GLU 77 HA GLU 77 -8.630 -13.547 13.272 634 HB2 GLU 77 2HB GLU 77 -7.827 -15.988 11.622 635 HB3 GLU 77 3HB GLU 77 -8.696 -16.044 13.155 636 HG2 GLU 77 2HG GLU 77 -10.599 -14.837 12.111 637 HG3 GLU 77 3HG GLU 77 -9.713 -14.784 10.589 638 H HIS 78 H HIS 78 -7.506 -14.230 15.175 639 HA HIS 78 HA HIS 78 -4.762 -13.582 15.307 640 HB2 HIS 78 2HB HIS 78 -6.539 -15.011 17.327 641 HB3 HIS 78 3HB HIS 78 -4.906 -14.451 17.679 642 HD1 HIS 78 HD1 HIS 78 -8.248 -13.429 18.204 643 HD2 HIS 78 HD2 HIS 78 -4.791 -11.440 17.034 644 HE1 HIS 78 HE1 HIS 78 -8.671 -11.001 18.679 645 HE2 HIS 78 HE2 HIS 78 -6.641 -9.815 17.805 646 H HIS 79 H HIS 79 -3.261 -14.737 14.331 647 HA HIS 79 HA HIS 79 -3.386 -17.390 13.472 648 HB2 HIS 79 2HB HIS 79 -1.020 -15.527 13.893 649 HB3 HIS 79 3HB HIS 79 -0.836 -17.125 13.181 650 HD1 HIS 79 HD1 HIS 79 -1.349 -17.372 10.744 651 HD2 HIS 79 HD2 HIS 79 -2.493 -13.660 12.198 652 HE1 HIS 79 HE1 HIS 79 -1.967 -16.029 8.734 653 HE2 HIS 79 HE2 HIS 79 -2.325 -13.722 9.624 654 H HIS 80 H HIS 80 -3.449 -19.198 14.707 655 HA HIS 80 HA HIS 80 -2.374 -19.321 17.371 656 HB2 HIS 80 2HB HIS 80 -4.382 -20.635 16.714 657 HB3 HIS 80 3HB HIS 80 -3.388 -21.608 15.633 658 HD1 HIS 80 HD1 HIS 80 -2.695 -23.774 16.652 659 HD2 HIS 80 HD2 HIS 80 -3.290 -20.847 19.548 660 HE1 HIS 80 HE1 HIS 80 -2.294 -24.909 18.854 661 HE2 HIS 80 HE2 HIS 80 -2.800 -23.163 20.588 662 H HIS 81 H HIS 81 -0.284 -18.652 16.911 663 HA HIS 81 HA HIS 81 1.657 -20.784 16.569 664 HB2 HIS 81 2HB HIS 81 1.623 -18.303 14.793 665 HB3 HIS 81 3HB HIS 81 3.085 -19.241 15.065 666 HD1 HIS 81 HD1 HIS 81 0.709 -18.828 12.555 667 HD2 HIS 81 HD2 HIS 81 2.366 -22.191 14.347 668 HE1 HIS 81 HE1 HIS 81 0.393 -20.701 10.908 669 HE2 HIS 81 HE2 HIS 81 1.541 -22.671 11.952 670 H HIS 82 H HIS 82 3.210 -20.481 18.099 671 HA HIS 82 HA HIS 82 3.100 -18.159 19.820 672 HB2 HIS 82 2HB HIS 82 4.945 -20.587 19.874 673 HB3 HIS 82 3HB HIS 82 4.920 -19.320 21.099 674 HD1 HIS 82 HD1 HIS 82 2.838 -19.227 22.677 675 HD2 HIS 82 HD2 HIS 82 2.845 -22.472 20.082 676 HE1 HIS 82 HE1 HIS 82 1.100 -20.800 23.563 677 HE2 HIS 82 HE2 HIS 82 1.292 -22.846 22.118 678 H HIS 83 H HIS 83 3.627 -16.525 18.298 679 HA HIS 83 HA HIS 83 6.233 -16.536 16.997 680 HB2 HIS 83 2HB HIS 83 5.453 -14.364 15.956 681 HB3 HIS 83 3HB HIS 83 4.452 -15.763 15.606 682 HD1 HIS 83 HD1 HIS 83 4.390 -12.444 17.305 683 HD2 HIS 83 HD2 HIS 83 1.790 -15.605 16.600 684 HE1 HIS 83 HE1 HIS 83 2.103 -11.575 17.848 685 HE2 HIS 83 HE2 HIS 83 0.545 -13.417 17.179 Start of MODEL 20 1 H1 MET 1 1H MET 1 -18.862 -6.287 1.343 2 H2 MET 1 2H MET 1 -19.465 -5.803 -0.160 3 H3 MET 1 3H MET 1 -20.476 -6.591 0.937 4 HA MET 1 HA MET 1 -20.942 -4.240 0.864 5 HB2 MET 1 2HB MET 1 -19.608 -5.127 3.461 6 HB3 MET 1 3HB MET 1 -20.731 -3.781 3.320 7 HG2 MET 1 2HG MET 1 -22.543 -5.297 2.763 8 HG3 MET 1 3HG MET 1 -21.427 -6.669 2.727 9 HE1 MET 1 3HE MET 1 -23.458 -7.449 5.975 10 HE2 MET 1 1HE MET 1 -22.900 -8.065 4.419 11 HE3 MET 1 2HE MET 1 -24.092 -6.763 4.478 12 H GLY 2 H GLY 2 -17.906 -4.431 2.763 13 HA2 GLY 2 2HA GLY 2 -16.934 -1.897 1.694 14 HA3 GLY 2 3HA GLY 2 -16.199 -2.882 2.952 15 H LEU 3 H LEU 3 -16.659 -2.569 -0.524 16 HA LEU 3 HA LEU 3 -15.386 -4.928 -1.367 17 HB2 LEU 3 2HB LEU 3 -15.751 -2.312 -2.874 18 HB3 LEU 3 3HB LEU 3 -15.292 -3.836 -3.620 19 HG LEU 3 HG LEU 3 -17.953 -3.236 -2.262 20 HD11 LEU 3 1HD1 LEU 3 -17.711 -2.132 -4.442 21 HD12 LEU 3 2HD1 LEU 3 -18.918 -3.411 -4.500 22 HD13 LEU 3 3HD1 LEU 3 -17.321 -3.680 -5.201 23 HD21 LEU 3 3HD2 LEU 3 -18.665 -5.468 -3.046 24 HD22 LEU 3 1HD2 LEU 3 -17.348 -5.567 -1.878 25 HD23 LEU 3 2HD2 LEU 3 -17.021 -5.802 -3.597 26 H THR 4 H THR 4 -13.361 -5.450 -1.907 27 HA THR 4 HA THR 4 -11.135 -3.805 -1.057 28 HB THR 4 HB THR 4 -11.067 -6.508 -2.490 29 HG1 THR 4 HG1 THR 4 -11.702 -5.782 0.132 30 HG21 THR 4 3HG2 THR 4 -9.040 -5.211 -0.611 31 HG22 THR 4 1HG2 THR 4 -8.843 -5.400 -2.359 32 HG23 THR 4 2HG2 THR 4 -8.907 -6.822 -1.318 33 H ARG 5 H ARG 5 -11.873 -2.138 -2.549 34 HA ARG 5 HA ARG 5 -11.733 -2.242 -5.354 35 HB2 ARG 5 2HB ARG 5 -11.690 0.243 -5.239 36 HB3 ARG 5 3HB ARG 5 -12.910 -0.431 -4.167 37 HG2 ARG 5 2HG ARG 5 -11.446 -0.071 -2.228 38 HG3 ARG 5 3HG ARG 5 -10.167 0.533 -3.282 39 HD2 ARG 5 2HD ARG 5 -11.221 2.425 -2.268 40 HD3 ARG 5 3HD ARG 5 -11.726 2.404 -3.961 41 HE ARG 5 HE ARG 5 -13.645 1.037 -2.423 42 HH11 ARG 5 1HH1 ARG 5 -12.484 4.333 -2.884 43 HH12 ARG 5 2HH1 ARG 5 -13.998 5.048 -2.435 44 HH21 ARG 5 1HH2 ARG 5 -15.603 2.011 -1.783 45 HH22 ARG 5 2HH2 ARG 5 -15.756 3.740 -1.813 46 H THR 6 H THR 6 -10.089 -1.188 -6.750 47 HA THR 6 HA THR 6 -7.332 -1.702 -5.778 48 HB THR 6 HB THR 6 -8.364 -1.852 -8.657 49 HG1 THR 6 HG1 THR 6 -7.696 -3.933 -6.817 50 HG21 THR 6 3HG2 THR 6 -6.178 -2.850 -9.175 51 HG22 THR 6 1HG2 THR 6 -5.670 -2.676 -7.498 52 HG23 THR 6 2HG2 THR 6 -5.956 -1.239 -8.488 53 H ILE 7 H ILE 7 -6.496 0.283 -5.284 54 HA ILE 7 HA ILE 7 -7.478 2.658 -6.712 55 HB ILE 7 HB ILE 7 -5.752 2.517 -4.188 56 HG12 ILE 7 2HG1 ILE 7 -8.767 2.905 -4.513 57 HG13 ILE 7 3HG1 ILE 7 -7.962 1.542 -3.748 58 HG21 ILE 7 1HG2 ILE 7 -7.228 4.884 -5.432 59 HG22 ILE 7 2HG2 ILE 7 -5.480 4.631 -5.455 60 HG23 ILE 7 3HG2 ILE 7 -6.306 4.905 -3.924 61 HD11 ILE 7 3HD1 ILE 7 -8.936 3.023 -2.120 62 HD12 ILE 7 1HD1 ILE 7 -7.981 4.376 -2.725 63 HD13 ILE 7 2HD1 ILE 7 -7.182 2.997 -1.959 64 H THR 8 H THR 8 -6.331 3.215 -8.434 65 HA THR 8 HA THR 8 -3.451 2.591 -8.644 66 HB THR 8 HB THR 8 -3.837 3.050 -11.136 67 HG1 THR 8 HG1 THR 8 -5.780 4.228 -10.967 68 HG21 THR 8 3HG2 THR 8 -3.779 0.717 -10.279 69 HG22 THR 8 1HG2 THR 8 -4.932 0.883 -11.608 70 HG23 THR 8 2HG2 THR 8 -5.510 0.799 -9.943 71 H SER 9 H SER 9 -2.357 4.274 -7.837 72 HA SER 9 HA SER 9 -2.878 6.990 -8.865 73 HB2 SER 9 2HB SER 9 -2.348 6.339 -5.931 74 HB3 SER 9 3HB SER 9 -2.510 7.956 -6.624 75 HG SER 9 HG SER 9 -4.656 6.840 -7.398 76 H GLN 10 H GLN 10 -1.023 8.374 -8.763 77 HA GLN 10 HA GLN 10 1.524 6.910 -9.082 78 HB2 GLN 10 2HB GLN 10 0.719 9.678 -10.084 79 HB3 GLN 10 3HB GLN 10 2.232 8.845 -10.446 80 HG2 GLN 10 2HG GLN 10 0.899 7.028 -11.548 81 HG3 GLN 10 3HG GLN 10 -0.551 7.993 -11.299 82 HE21 GLN 10 1HE2 GLN 10 0.632 7.035 -13.776 83 HE22 GLN 10 2HE2 GLN 10 0.927 8.440 -14.745 84 H ASN 11 H ASN 11 -0.033 8.719 -6.784 85 HA ASN 11 HA ASN 11 2.512 9.607 -5.525 86 HB2 ASN 11 2HB ASN 11 0.789 11.421 -5.932 87 HB3 ASN 11 3HB ASN 11 -0.321 10.563 -4.875 88 HD21 ASN 11 1HD2 ASN 11 0.861 13.275 -4.640 89 HD22 ASN 11 2HD2 ASN 11 1.629 13.315 -3.092 90 H LYS 12 H LYS 12 3.190 8.178 -4.055 91 HA LYS 12 HA LYS 12 1.524 6.081 -3.053 92 HB2 LYS 12 2HB LYS 12 3.589 5.423 -1.686 93 HB3 LYS 12 3HB LYS 12 3.730 5.402 -3.430 94 HG2 LYS 12 2HG LYS 12 5.724 6.379 -2.941 95 HG3 LYS 12 3HG LYS 12 4.737 7.833 -3.058 96 HD2 LYS 12 2HD LYS 12 4.542 7.904 -0.591 97 HD3 LYS 12 3HD LYS 12 5.492 6.416 -0.469 98 HE2 LYS 12 2HE LYS 12 7.398 7.588 -1.582 99 HE3 LYS 12 3HE LYS 12 6.445 9.074 -1.591 100 HZ1 LYS 12 3HZ LYS 12 6.436 9.067 0.805 101 HZ2 LYS 12 1HZ LYS 12 8.030 8.964 0.247 102 HZ3 LYS 12 2HZ LYS 12 7.253 7.590 0.849 103 H GLU 13 H GLU 13 2.499 9.204 -1.764 104 HA GLU 13 HA GLU 13 2.349 8.712 0.998 105 HB2 GLU 13 2HB GLU 13 1.694 11.281 -0.505 106 HB3 GLU 13 3HB GLU 13 2.052 11.169 1.221 107 HG2 GLU 13 2HG GLU 13 4.334 10.355 0.674 108 HG3 GLU 13 3HG GLU 13 3.965 10.526 -1.045 109 H GLU 14 H GLU 14 -0.136 10.055 -1.197 110 HA GLU 14 HA GLU 14 -2.238 10.129 0.689 111 HB2 GLU 14 2HB GLU 14 -3.753 10.423 -1.238 112 HB3 GLU 14 3HB GLU 14 -2.341 11.469 -1.347 113 HG2 GLU 14 2HG GLU 14 -1.321 9.935 -2.989 114 HG3 GLU 14 3HG GLU 14 -2.723 8.872 -2.866 115 H LEU 15 H LEU 15 -1.022 7.544 -1.352 116 HA LEU 15 HA LEU 15 -3.214 5.731 -1.016 117 HB2 LEU 15 2HB LEU 15 -0.297 5.226 -1.730 118 HB3 LEU 15 3HB LEU 15 -1.507 3.953 -1.685 119 HG LEU 15 HG LEU 15 -1.549 6.354 -3.557 120 HD11 LEU 15 1HD1 LEU 15 -1.082 4.729 -5.340 121 HD12 LEU 15 2HD1 LEU 15 -0.963 3.430 -4.147 122 HD13 LEU 15 3HD1 LEU 15 0.212 4.748 -4.143 123 HD21 LEU 15 3HD2 LEU 15 -3.814 5.669 -2.963 124 HD22 LEU 15 1HD2 LEU 15 -3.446 3.989 -3.365 125 HD23 LEU 15 2HD2 LEU 15 -3.462 5.223 -4.628 126 H LEU 16 H LEU 16 -0.379 6.534 0.916 127 HA LEU 16 HA LEU 16 -0.463 4.253 2.682 128 HB2 LEU 16 2HB LEU 16 0.816 6.982 3.168 129 HB3 LEU 16 3HB LEU 16 1.168 5.502 4.050 130 HG LEU 16 HG LEU 16 1.793 5.957 1.115 131 HD11 LEU 16 1HD1 LEU 16 4.133 6.158 1.755 132 HD12 LEU 16 2HD1 LEU 16 3.688 6.036 3.460 133 HD13 LEU 16 3HD1 LEU 16 3.150 7.418 2.501 134 HD21 LEU 16 3HD2 LEU 16 2.606 3.660 2.909 135 HD22 LEU 16 1HD2 LEU 16 3.147 3.917 1.246 136 HD23 LEU 16 2HD2 LEU 16 1.452 3.595 1.578 137 H GLU 17 H GLU 17 -1.684 7.553 2.692 138 HA GLU 17 HA GLU 17 -2.883 7.567 5.269 139 HB2 GLU 17 2HB GLU 17 -3.412 9.309 2.818 140 HB3 GLU 17 3HB GLU 17 -3.997 9.658 4.448 141 HG2 GLU 17 2HG GLU 17 -1.728 9.924 5.278 142 HG3 GLU 17 3HG GLU 17 -1.059 9.371 3.746 143 H ILE 18 H ILE 18 -4.296 6.998 2.004 144 HA ILE 18 HA ILE 18 -6.979 6.550 2.876 145 HB ILE 18 HB ILE 18 -5.576 5.615 0.317 146 HG12 ILE 18 2HG1 ILE 18 -7.522 7.942 0.714 147 HG13 ILE 18 3HG1 ILE 18 -5.773 8.116 0.642 148 HG21 ILE 18 1HG2 ILE 18 -8.557 5.584 0.945 149 HG22 ILE 18 2HG2 ILE 18 -7.521 4.170 0.733 150 HG23 ILE 18 3HG2 ILE 18 -7.844 5.238 -0.632 151 HD11 ILE 18 3HD1 ILE 18 -6.788 8.703 -1.466 152 HD12 ILE 18 1HD1 ILE 18 -7.539 7.113 -1.588 153 HD13 ILE 18 2HD1 ILE 18 -5.780 7.269 -1.653 154 H ALA 19 H ALA 19 -4.158 4.459 2.443 155 HA ALA 19 HA ALA 19 -5.279 1.929 2.880 156 HB1 ALA 19 3HB ALA 19 -2.957 2.244 2.161 157 HB2 ALA 19 1HB ALA 19 -3.028 1.250 3.615 158 HB3 ALA 19 2HB ALA 19 -2.546 2.948 3.727 159 H LEU 20 H LEU 20 -3.663 4.071 5.176 160 HA LEU 20 HA LEU 20 -4.073 2.831 7.585 161 HB2 LEU 20 2HB LEU 20 -2.612 4.787 7.180 162 HB3 LEU 20 3HB LEU 20 -4.015 5.807 6.919 163 HG LEU 20 HG LEU 20 -4.645 5.542 9.321 164 HD11 LEU 20 1HD1 LEU 20 -2.050 3.999 9.597 165 HD12 LEU 20 2HD1 LEU 20 -3.682 3.344 9.765 166 HD13 LEU 20 3HD1 LEU 20 -3.092 4.534 10.920 167 HD21 LEU 20 3HD2 LEU 20 -2.850 6.950 10.255 168 HD22 LEU 20 1HD2 LEU 20 -3.305 7.475 8.636 169 HD23 LEU 20 2HD2 LEU 20 -1.815 6.561 8.881 170 H LYS 21 H LYS 21 -6.258 5.007 5.865 171 HA LYS 21 HA LYS 21 -8.331 5.300 7.741 172 HB2 LYS 21 2HB LYS 21 -8.057 6.679 5.682 173 HB3 LYS 21 3HB LYS 21 -8.480 5.285 4.695 174 HG2 LYS 21 2HG LYS 21 -10.740 5.273 5.871 175 HG3 LYS 21 3HG LYS 21 -10.292 6.822 6.592 176 HD2 LYS 21 2HD LYS 21 -10.575 6.211 3.624 177 HD3 LYS 21 3HD LYS 21 -11.681 7.175 4.601 178 HE2 LYS 21 2HE LYS 21 -8.787 7.906 4.014 179 HE3 LYS 21 3HE LYS 21 -10.190 8.563 3.176 180 HZ1 LYS 21 3HZ LYS 21 -10.938 9.575 5.192 181 HZ2 LYS 21 1HZ LYS 21 -9.328 10.023 4.931 182 HZ3 LYS 21 2HZ LYS 21 -9.705 8.853 6.090 183 H PHE 22 H PHE 22 -7.948 2.919 5.071 184 HA PHE 22 HA PHE 22 -10.516 1.656 5.533 185 HB2 PHE 22 2HB PHE 22 -8.187 1.083 3.686 186 HB3 PHE 22 3HB PHE 22 -9.390 -0.175 3.939 187 HD1 PHE 22 HD1 PHE 22 -9.211 3.490 3.025 188 HD2 PHE 22 HD2 PHE 22 -11.254 -0.237 2.509 189 HE1 PHE 22 HE1 PHE 22 -10.643 4.506 1.295 190 HE2 PHE 22 HE2 PHE 22 -12.676 0.788 0.781 191 HZ PHE 22 HZ PHE 22 -12.374 3.156 0.174 192 H ILE 23 H ILE 23 -7.196 0.989 6.487 193 HA ILE 23 HA ILE 23 -7.572 -1.671 7.446 194 HB ILE 23 HB ILE 23 -5.391 0.394 8.048 195 HG12 ILE 23 2HG1 ILE 23 -5.489 -0.295 5.673 196 HG13 ILE 23 3HG1 ILE 23 -4.018 -0.891 6.428 197 HG21 ILE 23 1HG2 ILE 23 -4.004 -1.483 8.891 198 HG22 ILE 23 2HG2 ILE 23 -5.383 -2.574 8.727 199 HG23 ILE 23 3HG2 ILE 23 -5.446 -1.239 9.880 200 HD11 ILE 23 3HD1 ILE 23 -4.956 -2.539 4.957 201 HD12 ILE 23 1HD1 ILE 23 -6.494 -2.505 5.811 202 HD13 ILE 23 2HD1 ILE 23 -5.047 -3.124 6.615 203 H SER 24 H SER 24 -7.552 1.566 8.950 204 HA SER 24 HA SER 24 -7.945 0.819 11.627 205 HB2 SER 24 2HB SER 24 -7.226 3.082 10.924 206 HB3 SER 24 3HB SER 24 -8.821 3.389 10.237 207 HG SER 24 HG SER 24 -8.381 2.729 12.969 208 H GLN 25 H GLN 25 -10.246 1.264 8.989 209 HA GLN 25 HA GLN 25 -12.627 1.019 10.618 210 HB2 GLN 25 2HB GLN 25 -12.254 0.847 7.591 211 HB3 GLN 25 3HB GLN 25 -13.814 0.885 8.414 212 HG2 GLN 25 2HG GLN 25 -13.375 3.137 9.243 213 HG3 GLN 25 3HG GLN 25 -11.754 3.107 8.549 214 HE21 GLN 25 1HE2 GLN 25 -11.533 3.212 6.259 215 HE22 GLN 25 2HE2 GLN 25 -12.807 3.819 5.261 216 H GLY 26 H GLY 26 -10.377 -1.198 9.224 217 HA2 GLY 26 2HA GLY 26 -10.280 -3.514 9.460 218 HA3 GLY 26 3HA GLY 26 -11.942 -3.529 10.031 219 H LEU 27 H LEU 27 -11.368 -1.778 7.165 220 HA LEU 27 HA LEU 27 -12.723 -3.742 5.468 221 HB2 LEU 27 2HB LEU 27 -11.777 -0.895 4.874 222 HB3 LEU 27 3HB LEU 27 -12.716 -1.895 3.775 223 HG LEU 27 HG LEU 27 -13.696 -0.886 6.475 224 HD11 LEU 27 1HD1 LEU 27 -15.156 0.616 5.183 225 HD12 LEU 27 2HD1 LEU 27 -14.381 0.093 3.683 226 HD13 LEU 27 3HD1 LEU 27 -13.450 0.960 4.909 227 HD21 LEU 27 3HD2 LEU 27 -15.912 -1.702 5.761 228 HD22 LEU 27 1HD2 LEU 27 -14.743 -3.015 5.886 229 HD23 LEU 27 2HD2 LEU 27 -15.195 -2.388 4.300 230 H ASP 28 H ASP 28 -11.691 -4.931 3.922 231 HA ASP 28 HA ASP 28 -8.831 -4.929 3.633 232 HB2 ASP 28 2HB ASP 28 -10.889 -6.278 1.813 233 HB3 ASP 28 3HB ASP 28 -9.178 -6.675 1.935 234 H LEU 29 H LEU 29 -7.623 -4.039 1.947 235 HA LEU 29 HA LEU 29 -8.989 -2.412 -0.109 236 HB2 LEU 29 2HB LEU 29 -8.451 -0.886 1.805 237 HB3 LEU 29 3HB LEU 29 -6.764 -1.377 1.726 238 HG LEU 29 HG LEU 29 -6.586 -0.389 -0.561 239 HD11 LEU 29 1HD1 LEU 29 -8.354 1.010 -1.470 240 HD12 LEU 29 2HD1 LEU 29 -9.417 0.597 -0.125 241 HD13 LEU 29 3HD1 LEU 29 -8.914 -0.647 -1.276 242 HD21 LEU 29 3HD2 LEU 29 -7.604 1.573 1.512 243 HD22 LEU 29 1HD2 LEU 29 -6.629 1.969 0.093 244 HD23 LEU 29 2HD2 LEU 29 -5.950 0.966 1.375 245 H GLU 30 H GLU 30 -7.945 -2.543 -2.087 246 HA GLU 30 HA GLU 30 -5.205 -3.722 -2.122 247 HB2 GLU 30 2HB GLU 30 -7.091 -5.070 -3.213 248 HB3 GLU 30 3HB GLU 30 -7.260 -3.773 -4.394 249 HG2 GLU 30 2HG GLU 30 -4.959 -4.129 -5.152 250 HG3 GLU 30 3HG GLU 30 -4.717 -5.373 -3.928 251 H VAL 31 H VAL 31 -3.680 -2.269 -2.667 252 HA VAL 31 HA VAL 31 -4.413 0.122 -4.292 253 HB VAL 31 HB VAL 31 -2.328 1.204 -3.119 254 HG11 VAL 31 1HG1 VAL 31 -4.899 0.766 -1.543 255 HG12 VAL 31 2HG1 VAL 31 -4.611 2.022 -2.756 256 HG13 VAL 31 3HG1 VAL 31 -3.713 2.041 -1.236 257 HG21 VAL 31 3HG2 VAL 31 -2.941 -0.984 -1.085 258 HG22 VAL 31 1HG2 VAL 31 -1.874 0.398 -0.811 259 HG23 VAL 31 2HG2 VAL 31 -1.454 -0.815 -2.020 260 H GLU 32 H GLU 32 -3.605 0.032 -6.229 261 HA GLU 32 HA GLU 32 -1.127 -1.461 -6.823 262 HB2 GLU 32 2HB GLU 32 -3.184 -2.195 -8.033 263 HB3 GLU 32 3HB GLU 32 -3.360 -0.581 -8.715 264 HG2 GLU 32 2HG GLU 32 -1.289 -0.835 -9.978 265 HG3 GLU 32 3HG GLU 32 -0.957 -2.387 -9.208 266 H PHE 33 H PHE 33 0.535 -0.098 -6.708 267 HA PHE 33 HA PHE 33 0.251 2.752 -7.031 268 HB2 PHE 33 2HB PHE 33 1.667 1.697 -5.239 269 HB3 PHE 33 3HB PHE 33 2.737 1.066 -6.488 270 HD1 PHE 33 HD1 PHE 33 1.285 4.485 -6.684 271 HD2 PHE 33 HD2 PHE 33 4.688 2.154 -5.550 272 HE1 PHE 33 HE1 PHE 33 2.629 6.525 -6.498 273 HE2 PHE 33 HE2 PHE 33 6.014 4.209 -5.377 274 HZ PHE 33 HZ PHE 33 4.993 6.389 -5.852 275 H ASP 34 H ASP 34 0.105 3.488 -9.031 276 HA ASP 34 HA ASP 34 1.244 2.107 -11.326 277 HB2 ASP 34 2HB ASP 34 -1.104 2.893 -11.392 278 HB3 ASP 34 3HB ASP 34 -0.571 4.548 -11.125 279 H SER 35 H SER 35 3.439 2.529 -10.678 280 HA SER 35 HA SER 35 4.544 4.895 -11.965 281 HB2 SER 35 2HB SER 35 5.932 5.556 -10.024 282 HB3 SER 35 3HB SER 35 4.225 5.635 -9.584 283 HG SER 35 HG SER 35 5.766 4.547 -8.090 284 H THR 36 H THR 36 6.843 4.682 -12.322 285 HA THR 36 HA THR 36 7.982 1.958 -11.981 286 HB THR 36 HB THR 36 9.277 2.407 -14.124 287 HG1 THR 36 HG1 THR 36 7.395 4.548 -14.378 288 HG21 THR 36 3HG2 THR 36 6.251 2.358 -14.423 289 HG22 THR 36 1HG2 THR 36 7.284 0.949 -14.166 290 HG23 THR 36 2HG2 THR 36 7.421 1.885 -15.657 291 H ASP 37 H ASP 37 8.142 4.694 -10.502 292 HA ASP 37 HA ASP 37 11.022 5.238 -10.629 293 HB2 ASP 37 2HB ASP 37 9.406 7.149 -10.501 294 HB3 ASP 37 3HB ASP 37 8.822 6.548 -8.953 295 H ASP 38 H ASP 38 12.160 3.745 -9.568 296 HA ASP 38 HA ASP 38 11.273 1.891 -7.727 297 HB2 ASP 38 2HB ASP 38 14.103 2.930 -8.144 298 HB3 ASP 38 3HB ASP 38 13.724 1.520 -7.163 299 H LYS 39 H LYS 39 12.499 5.141 -7.041 300 HA LYS 39 HA LYS 39 13.273 4.751 -4.338 301 HB2 LYS 39 2HB LYS 39 12.324 7.346 -5.621 302 HB3 LYS 39 3HB LYS 39 13.285 7.197 -4.149 303 HG2 LYS 39 2HG LYS 39 15.162 6.274 -5.449 304 HG3 LYS 39 3HG LYS 39 14.203 6.384 -6.929 305 HD2 LYS 39 2HD LYS 39 15.060 8.737 -5.189 306 HD3 LYS 39 3HD LYS 39 15.784 8.279 -6.732 307 HE2 LYS 39 2HE LYS 39 13.706 8.788 -7.909 308 HE3 LYS 39 3HE LYS 39 12.877 9.106 -6.385 309 HZ1 LYS 39 3HZ LYS 39 14.329 10.990 -6.020 310 HZ2 LYS 39 1HZ LYS 39 13.527 11.145 -7.501 311 HZ3 LYS 39 2HZ LYS 39 15.155 10.682 -7.459 312 H GLU 40 H GLU 40 10.321 6.291 -5.683 313 HA GLU 40 HA GLU 40 9.040 6.545 -3.134 314 HB2 GLU 40 2HB GLU 40 7.062 7.298 -4.435 315 HB3 GLU 40 3HB GLU 40 8.539 8.137 -4.893 316 HG2 GLU 40 2HG GLU 40 8.715 6.555 -6.866 317 HG3 GLU 40 3HG GLU 40 7.109 5.963 -6.440 318 H ILE 41 H ILE 41 8.990 4.075 -5.683 319 HA ILE 41 HA ILE 41 6.896 2.454 -4.735 320 HB ILE 41 HB ILE 41 9.443 1.794 -6.271 321 HG12 ILE 41 2HG1 ILE 41 6.501 1.828 -7.119 322 HG13 ILE 41 3HG1 ILE 41 7.670 3.098 -7.456 323 HG21 ILE 41 1HG2 ILE 41 8.903 -0.241 -5.001 324 HG22 ILE 41 2HG2 ILE 41 8.594 -0.481 -6.720 325 HG23 ILE 41 3HG2 ILE 41 7.249 -0.200 -5.613 326 HD11 ILE 41 3HD1 ILE 41 7.728 0.284 -8.541 327 HD12 ILE 41 1HD1 ILE 41 8.950 1.523 -8.846 328 HD13 ILE 41 2HD1 ILE 41 7.298 1.755 -9.414 329 H GLU 42 H GLU 42 10.339 2.527 -3.774 330 HA GLU 42 HA GLU 42 10.315 0.358 -1.957 331 HB2 GLU 42 2HB GLU 42 12.098 2.822 -2.103 332 HB3 GLU 42 3HB GLU 42 12.401 1.480 -1.000 333 HG2 GLU 42 2HG GLU 42 12.775 -0.038 -2.822 334 HG3 GLU 42 3HG GLU 42 12.250 1.153 -4.007 335 H GLU 43 H GLU 43 9.768 3.819 -1.502 336 HA GLU 43 HA GLU 43 9.460 3.778 1.320 337 HB2 GLU 43 2HB GLU 43 8.440 5.777 -0.734 338 HB3 GLU 43 3HB GLU 43 8.509 6.057 1.006 339 HG2 GLU 43 2HG GLU 43 10.963 5.843 0.964 340 HG3 GLU 43 3HG GLU 43 10.920 5.520 -0.767 341 H PHE 44 H PHE 44 7.234 3.274 -1.345 342 HA PHE 44 HA PHE 44 4.780 3.279 0.103 343 HB2 PHE 44 2HB PHE 44 4.920 3.550 -2.356 344 HB3 PHE 44 3HB PHE 44 5.586 1.936 -2.521 345 HD1 PHE 44 HD1 PHE 44 2.503 3.733 -1.322 346 HD2 PHE 44 HD2 PHE 44 4.120 0.151 -2.991 347 HE1 PHE 44 HE1 PHE 44 0.235 2.877 -1.726 348 HE2 PHE 44 HE2 PHE 44 1.849 -0.697 -3.387 349 HZ PHE 44 HZ PHE 44 -0.092 0.673 -2.764 350 H GLU 45 H GLU 45 7.095 0.736 -0.902 351 HA GLU 45 HA GLU 45 5.864 -1.564 0.057 352 HB2 GLU 45 2HB GLU 45 8.860 -0.950 -0.020 353 HB3 GLU 45 3HB GLU 45 8.176 -2.554 0.239 354 HG2 GLU 45 2HG GLU 45 7.085 -2.374 -2.005 355 HG3 GLU 45 3HG GLU 45 7.949 -0.866 -2.253 356 H ARG 46 H ARG 46 8.395 0.325 1.691 357 HA ARG 46 HA ARG 46 8.485 -1.205 4.023 358 HB2 ARG 46 2HB ARG 46 9.859 0.595 4.983 359 HB3 ARG 46 3HB ARG 46 10.336 0.247 3.326 360 HG2 ARG 46 2HG ARG 46 9.019 2.246 2.587 361 HG3 ARG 46 3HG ARG 46 8.707 2.615 4.283 362 HD2 ARG 46 2HD ARG 46 11.448 2.461 2.993 363 HD3 ARG 46 3HD ARG 46 10.566 3.947 3.340 364 HE ARG 46 HE ARG 46 10.706 3.287 5.744 365 HH11 ARG 46 1HH1 ARG 46 13.113 2.085 3.481 366 HH12 ARG 46 2HH1 ARG 46 14.338 1.897 4.695 367 HH21 ARG 46 1HH2 ARG 46 12.305 3.044 7.321 368 HH22 ARG 46 2HH2 ARG 46 13.873 2.444 6.885 369 H ASP 47 H ASP 47 6.681 1.844 3.388 370 HA ASP 47 HA ASP 47 5.713 2.101 6.052 371 HB2 ASP 47 2HB ASP 47 5.915 3.956 4.317 372 HB3 ASP 47 3HB ASP 47 4.445 3.336 3.575 373 H MET 48 H MET 48 4.384 0.434 3.190 374 HA MET 48 HA MET 48 1.829 -0.187 4.363 375 HB2 MET 48 2HB MET 48 3.348 -1.432 2.035 376 HB3 MET 48 3HB MET 48 1.770 -2.024 2.552 377 HG2 MET 48 2HG MET 48 2.377 0.764 1.555 378 HG3 MET 48 3HG MET 48 1.554 -0.516 0.658 379 HE1 MET 48 3HE MET 48 -0.456 1.073 0.118 380 HE2 MET 48 1HE MET 48 0.315 2.399 0.980 381 HE3 MET 48 2HE MET 48 -1.359 1.986 1.321 382 H GLU 49 H GLU 49 4.922 -1.917 4.171 383 HA GLU 49 HA GLU 49 4.173 -4.339 5.396 384 HB2 GLU 49 2HB GLU 49 6.885 -2.953 5.252 385 HB3 GLU 49 3HB GLU 49 6.668 -4.583 5.889 386 HG2 GLU 49 2HG GLU 49 5.853 -5.363 3.723 387 HG3 GLU 49 3HG GLU 49 5.937 -3.726 3.075 388 H ASP 50 H ASP 50 5.526 -1.343 6.766 389 HA ASP 50 HA ASP 50 5.515 -2.203 9.473 390 HB2 ASP 50 2HB ASP 50 5.797 0.489 8.117 391 HB3 ASP 50 3HB ASP 50 5.408 0.489 9.836 392 H LEU 51 H LEU 51 3.126 -0.461 7.458 393 HA LEU 51 HA LEU 51 1.207 0.238 9.370 394 HB2 LEU 51 2HB LEU 51 0.974 0.999 7.073 395 HB3 LEU 51 3HB LEU 51 0.884 -0.649 6.476 396 HG LEU 51 HG LEU 51 -1.355 -0.899 7.639 397 HD11 LEU 51 1HD1 LEU 51 -1.113 2.077 8.161 398 HD12 LEU 51 2HD1 LEU 51 -1.114 0.794 9.376 399 HD13 LEU 51 3HD1 LEU 51 -2.557 1.090 8.409 400 HD21 LEU 51 3HD2 LEU 51 -2.636 0.386 5.990 401 HD22 LEU 51 1HD2 LEU 51 -1.245 -0.403 5.248 402 HD23 LEU 51 2HD2 LEU 51 -1.200 1.330 5.586 403 H ALA 52 H ALA 52 1.509 -2.739 7.476 404 HA ALA 52 HA ALA 52 -0.711 -4.130 8.489 405 HB1 ALA 52 3HB ALA 52 0.402 -4.678 6.374 406 HB2 ALA 52 1HB ALA 52 0.293 -6.094 7.419 407 HB3 ALA 52 2HB ALA 52 1.829 -5.231 7.252 408 H LYS 53 H LYS 53 2.752 -4.355 9.394 409 HA LYS 53 HA LYS 53 2.395 -6.449 11.275 410 HB2 LYS 53 2HB LYS 53 4.668 -4.657 10.496 411 HB3 LYS 53 3HB LYS 53 4.770 -5.354 12.102 412 HG2 LYS 53 2HG LYS 53 5.994 -6.836 10.762 413 HG3 LYS 53 3HG LYS 53 4.454 -7.651 10.987 414 HD2 LYS 53 2HD LYS 53 5.117 -6.037 8.496 415 HD3 LYS 53 3HD LYS 53 5.518 -7.743 8.657 416 HE2 LYS 53 2HE LYS 53 2.728 -6.560 8.712 417 HE3 LYS 53 3HE LYS 53 3.457 -7.440 7.379 418 HZ1 LYS 53 3HZ LYS 53 2.907 -8.573 10.067 419 HZ2 LYS 53 1HZ LYS 53 3.527 -9.413 8.744 420 HZ3 LYS 53 2HZ LYS 53 1.949 -8.814 8.699 421 H LYS 54 H LYS 54 2.589 -2.934 11.699 422 HA LYS 54 HA LYS 54 2.415 -2.763 14.497 423 HB2 LYS 54 2HB LYS 54 1.590 -0.859 12.261 424 HB3 LYS 54 3HB LYS 54 1.492 -0.399 13.961 425 HG2 LYS 54 2HG LYS 54 3.856 -0.435 14.238 426 HG3 LYS 54 3HG LYS 54 4.102 -1.393 12.776 427 HD2 LYS 54 2HD LYS 54 4.823 0.948 12.448 428 HD3 LYS 54 3HD LYS 54 3.495 0.524 11.369 429 HE2 LYS 54 2HE LYS 54 1.919 1.703 12.885 430 HE3 LYS 54 3HE LYS 54 3.277 2.151 13.924 431 HZ1 LYS 54 3HZ LYS 54 4.250 3.331 12.018 432 HZ2 LYS 54 1HZ LYS 54 2.741 3.954 12.451 433 HZ3 LYS 54 2HZ LYS 54 2.888 2.970 11.086 434 H THR 55 H THR 55 -0.118 -3.162 12.054 435 HA THR 55 HA THR 55 -2.270 -3.011 14.061 436 HB THR 55 HB THR 55 -3.804 -3.203 12.089 437 HG1 THR 55 HG1 THR 55 -2.032 -2.685 10.133 438 HG21 THR 55 3HG2 THR 55 -3.089 -0.964 12.881 439 HG22 THR 55 1HG2 THR 55 -3.333 -0.977 11.135 440 HG23 THR 55 2HG2 THR 55 -1.697 -1.023 11.795 441 H GLY 56 H GLY 56 -0.192 -5.378 12.911 442 HA2 GLY 56 2HA GLY 56 -0.096 -7.591 13.510 443 HA3 GLY 56 3HA GLY 56 -1.680 -7.452 14.248 444 H VAL 57 H VAL 57 -1.506 -6.467 10.952 445 HA VAL 57 HA VAL 57 -2.819 -8.974 10.062 446 HB VAL 57 HB VAL 57 -3.889 -7.711 8.274 447 HG11 VAL 57 1HG1 VAL 57 -5.415 -6.285 9.558 448 HG12 VAL 57 2HG1 VAL 57 -4.289 -6.280 10.921 449 HG13 VAL 57 3HG1 VAL 57 -5.067 -7.786 10.422 450 HG21 VAL 57 3HG2 VAL 57 -2.481 -5.223 9.319 451 HG22 VAL 57 1HG2 VAL 57 -3.711 -5.249 8.050 452 HG23 VAL 57 2HG2 VAL 57 -2.156 -6.038 7.790 453 H GLN 58 H GLN 58 -2.500 -9.096 7.496 454 HA GLN 58 HA GLN 58 0.419 -8.995 6.951 455 HB2 GLN 58 2HB GLN 58 -1.654 -10.950 5.843 456 HB3 GLN 58 3HB GLN 58 0.081 -11.002 5.550 457 HG2 GLN 58 2HG GLN 58 -1.197 -11.340 8.267 458 HG3 GLN 58 3HG GLN 58 -0.760 -12.677 7.210 459 HE21 GLN 58 1HE2 GLN 58 1.348 -13.286 7.096 460 HE22 GLN 58 2HE2 GLN 58 2.599 -12.658 8.105 461 H ILE 59 H ILE 59 0.989 -8.823 4.618 462 HA ILE 59 HA ILE 59 -1.091 -7.730 2.822 463 HB ILE 59 HB ILE 59 0.520 -6.131 1.815 464 HG12 ILE 59 2HG1 ILE 59 2.379 -6.712 4.171 465 HG13 ILE 59 3HG1 ILE 59 2.630 -7.334 2.544 466 HG21 ILE 59 1HG2 ILE 59 -1.043 -5.266 3.471 467 HG22 ILE 59 2HG2 ILE 59 0.495 -4.409 3.588 468 HG23 ILE 59 3HG2 ILE 59 0.083 -5.647 4.776 469 HD11 ILE 59 3HD1 ILE 59 4.029 -5.427 2.911 470 HD12 ILE 59 1HD1 ILE 59 2.647 -4.435 3.375 471 HD13 ILE 59 2HD1 ILE 59 2.804 -5.017 1.714 472 H GLN 60 H GLN 60 -0.332 -7.797 0.503 473 HA GLN 60 HA GLN 60 1.589 -9.964 -0.080 474 HB2 GLN 60 2HB GLN 60 -1.298 -9.774 -1.019 475 HB3 GLN 60 3HB GLN 60 -0.102 -10.645 -1.970 476 HG2 GLN 60 2HG GLN 60 -0.773 -11.259 0.910 477 HG3 GLN 60 3HG GLN 60 -1.449 -12.107 -0.473 478 HE21 GLN 60 1HE2 GLN 60 1.399 -11.642 1.488 479 HE22 GLN 60 2HE2 GLN 60 2.298 -12.975 0.862 480 H LYS 61 H LYS 61 3.135 -9.007 -1.223 481 HA LYS 61 HA LYS 61 2.630 -6.775 -3.032 482 HB2 LYS 61 2HB LYS 61 5.194 -8.343 -2.473 483 HB3 LYS 61 3HB LYS 61 5.094 -6.940 -3.535 484 HG2 LYS 61 2HG LYS 61 4.372 -5.553 -1.590 485 HG3 LYS 61 3HG LYS 61 4.573 -6.962 -0.541 486 HD2 LYS 61 2HD LYS 61 6.987 -7.052 -1.136 487 HD3 LYS 61 3HD LYS 61 6.781 -5.642 -2.182 488 HE2 LYS 61 2HE LYS 61 6.189 -4.264 -0.242 489 HE3 LYS 61 3HE LYS 61 6.312 -5.670 0.820 490 HZ1 LYS 61 3HZ LYS 61 8.555 -4.583 -0.791 491 HZ2 LYS 61 1HZ LYS 61 8.644 -5.823 0.345 492 HZ3 LYS 61 2HZ LYS 61 8.301 -4.246 0.846 493 H GLN 62 H GLN 62 1.895 -7.151 -5.003 494 HA GLN 62 HA GLN 62 2.715 -9.505 -6.569 495 HB2 GLN 62 2HB GLN 62 0.330 -9.634 -5.687 496 HB3 GLN 62 3HB GLN 62 -0.039 -8.169 -6.585 497 HG2 GLN 62 2HG GLN 62 -0.827 -10.156 -7.765 498 HG3 GLN 62 3HG GLN 62 0.417 -9.328 -8.696 499 HE21 GLN 62 1HE2 GLN 62 -0.258 -12.146 -6.695 500 HE22 GLN 62 2HE2 GLN 62 1.056 -13.104 -7.276 501 H TRP 63 H TRP 63 4.212 -8.466 -7.767 502 HA TRP 63 HA TRP 63 3.897 -5.860 -8.929 503 HB2 TRP 63 2HB TRP 63 5.887 -8.098 -9.535 504 HB3 TRP 63 3HB TRP 63 5.991 -6.458 -10.176 505 HD1 TRP 63 HD1 TRP 63 6.107 -8.274 -6.719 506 HE1 TRP 63 HE1 TRP 63 7.624 -6.910 -5.151 507 HE3 TRP 63 HE3 TRP 63 7.061 -4.251 -9.768 508 HZ2 TRP 63 HZ2 TRP 63 9.033 -4.478 -5.186 509 HZ3 TRP 63 HZ3 TRP 63 8.504 -2.443 -8.908 510 HH2 TRP 63 HH2 TRP 63 9.465 -2.558 -6.661 511 H GLN 64 H GLN 64 2.942 -5.385 -10.831 512 HA GLN 64 HA GLN 64 2.153 -7.481 -12.750 513 HB2 GLN 64 2HB GLN 64 0.171 -6.959 -11.350 514 HB3 GLN 64 3HB GLN 64 0.426 -5.233 -11.566 515 HG2 GLN 64 2HG GLN 64 -1.401 -5.824 -12.968 516 HG3 GLN 64 3HG GLN 64 -0.034 -5.559 -14.038 517 HE21 GLN 64 1HE2 GLN 64 -2.283 -7.887 -12.787 518 HE22 GLN 64 2HE2 GLN 64 -1.867 -9.172 -13.860 519 H GLY 65 H GLY 65 3.763 -6.859 -14.203 520 HA2 GLY 65 2HA GLY 65 4.722 -5.734 -15.946 521 HA3 GLY 65 3HA GLY 65 3.216 -4.837 -16.068 522 H ASN 66 H ASN 66 5.919 -4.980 -13.727 523 HA ASN 66 HA ASN 66 7.384 -3.489 -12.885 524 HB2 ASN 66 2HB ASN 66 6.565 -1.742 -15.250 525 HB3 ASN 66 3HB ASN 66 7.857 -1.326 -14.128 526 HD21 ASN 66 1HD2 ASN 66 9.364 -1.315 -15.834 527 HD22 ASN 66 2HD2 ASN 66 9.939 -2.780 -16.546 528 H LYS 67 H LYS 67 4.248 -3.267 -12.466 529 HA LYS 67 HA LYS 67 4.265 -0.712 -10.935 530 HB2 LYS 67 2HB LYS 67 1.779 -2.213 -11.908 531 HB3 LYS 67 3HB LYS 67 1.841 -0.609 -11.184 532 HG2 LYS 67 2HG LYS 67 2.955 -1.368 -13.902 533 HG3 LYS 67 3HG LYS 67 1.443 -0.508 -13.611 534 HD2 LYS 67 2HD LYS 67 2.676 1.400 -12.670 535 HD3 LYS 67 3HD LYS 67 4.205 0.532 -12.849 536 HE2 LYS 67 2HE LYS 67 3.918 2.160 -14.656 537 HE3 LYS 67 3HE LYS 67 3.902 0.522 -15.308 538 HZ1 LYS 67 3HZ LYS 67 2.168 1.836 -16.308 539 HZ2 LYS 67 1HZ LYS 67 1.531 2.239 -14.794 540 HZ3 LYS 67 2HZ LYS 67 1.464 0.643 -15.341 541 H LEU 68 H LEU 68 4.112 -0.962 -8.737 542 HA LEU 68 HA LEU 68 4.043 -3.684 -7.655 543 HB2 LEU 68 2HB LEU 68 5.802 -2.267 -6.814 544 HB3 LEU 68 3HB LEU 68 4.676 -0.963 -6.461 545 HG LEU 68 HG LEU 68 3.636 -2.410 -4.670 546 HD11 LEU 68 1HD1 LEU 68 4.274 -4.623 -5.473 547 HD12 LEU 68 2HD1 LEU 68 4.822 -4.365 -3.820 548 HD13 LEU 68 3HD1 LEU 68 5.975 -4.272 -5.153 549 HD21 LEU 68 3HD2 LEU 68 6.578 -1.823 -4.321 550 HD22 LEU 68 1HD2 LEU 68 5.386 -2.032 -3.033 551 HD23 LEU 68 2HD2 LEU 68 5.255 -0.668 -4.140 552 H ARG 69 H ARG 69 1.989 -4.478 -7.400 553 HA ARG 69 HA ARG 69 -0.097 -2.779 -6.166 554 HB2 ARG 69 2HB ARG 69 -0.811 -4.001 -8.165 555 HB3 ARG 69 3HB ARG 69 -0.252 -5.527 -7.485 556 HG2 ARG 69 2HG ARG 69 -1.974 -5.396 -5.730 557 HG3 ARG 69 3HG ARG 69 -2.507 -3.831 -6.359 558 HD2 ARG 69 2HD ARG 69 -3.990 -5.607 -7.093 559 HD3 ARG 69 3HD ARG 69 -3.159 -4.897 -8.473 560 HE ARG 69 HE ARG 69 -1.596 -6.947 -8.149 561 HH11 ARG 69 1HH1 ARG 69 -5.098 -6.996 -7.669 562 HH12 ARG 69 2HH1 ARG 69 -5.242 -8.669 -8.110 563 HH21 ARG 69 1HH2 ARG 69 -1.859 -9.103 -8.833 564 HH22 ARG 69 2HH2 ARG 69 -3.421 -9.846 -8.763 565 H ILE 70 H ILE 70 -0.046 -2.816 -3.994 566 HA ILE 70 HA ILE 70 0.629 -5.332 -2.565 567 HB ILE 70 HB ILE 70 0.536 -2.474 -1.463 568 HG12 ILE 70 2HG1 ILE 70 2.893 -4.343 -2.033 569 HG13 ILE 70 3HG1 ILE 70 2.529 -2.835 -2.861 570 HG21 ILE 70 1HG2 ILE 70 1.379 -3.442 0.653 571 HG22 ILE 70 2HG2 ILE 70 1.268 -5.062 -0.035 572 HG23 ILE 70 3HG2 ILE 70 -0.197 -4.114 0.232 573 HD11 ILE 70 3HD1 ILE 70 4.376 -2.556 -1.346 574 HD12 ILE 70 1HD1 ILE 70 3.404 -3.117 0.013 575 HD13 ILE 70 2HD1 ILE 70 3.004 -1.598 -0.795 576 H ARG 71 H ARG 71 -1.091 -6.472 -1.895 577 HA ARG 71 HA ARG 71 -3.718 -5.210 -1.585 578 HB2 ARG 71 2HB ARG 71 -3.598 -7.368 -2.823 579 HB3 ARG 71 3HB ARG 71 -2.931 -8.162 -1.395 580 HG2 ARG 71 2HG ARG 71 -5.067 -7.565 -0.167 581 HG3 ARG 71 3HG ARG 71 -5.713 -6.964 -1.694 582 HD2 ARG 71 2HD ARG 71 -5.506 -9.217 -2.672 583 HD3 ARG 71 3HD ARG 71 -4.826 -9.821 -1.159 584 HE ARG 71 HE ARG 71 -7.612 -9.177 -1.728 585 HH11 ARG 71 1HH1 ARG 71 -5.297 -9.988 0.803 586 HH12 ARG 71 2HH1 ARG 71 -6.527 -10.480 1.924 587 HH21 ARG 71 1HH2 ARG 71 -9.186 -9.844 -0.230 588 HH22 ARG 71 2HH2 ARG 71 -8.707 -10.398 1.338 589 H LEU 72 H LEU 72 -4.377 -4.620 0.286 590 HA LEU 72 HA LEU 72 -3.005 -5.279 2.811 591 HB2 LEU 72 2HB LEU 72 -5.059 -3.080 2.319 592 HB3 LEU 72 3HB LEU 72 -3.903 -3.198 3.637 593 HG LEU 72 HG LEU 72 -3.084 -2.685 0.750 594 HD11 LEU 72 1HD1 LEU 72 -2.881 -0.318 1.351 595 HD12 LEU 72 2HD1 LEU 72 -3.590 -0.649 2.935 596 HD13 LEU 72 3HD1 LEU 72 -4.547 -0.882 1.468 597 HD21 LEU 72 3HD2 LEU 72 -0.985 -1.862 1.750 598 HD22 LEU 72 1HD2 LEU 72 -1.275 -3.561 2.122 599 HD23 LEU 72 2HD2 LEU 72 -1.567 -2.328 3.352 600 H LYS 73 H LYS 73 -4.230 -6.325 4.437 601 HA LYS 73 HA LYS 73 -7.151 -6.663 3.961 602 HB2 LYS 73 2HB LYS 73 -6.992 -8.810 5.151 603 HB3 LYS 73 3HB LYS 73 -5.918 -8.775 3.760 604 HG2 LYS 73 2HG LYS 73 -4.072 -8.109 5.503 605 HG3 LYS 73 3HG LYS 73 -5.215 -8.730 6.695 606 HD2 LYS 73 2HD LYS 73 -3.643 -10.487 6.094 607 HD3 LYS 73 3HD LYS 73 -5.241 -10.920 5.486 608 HE2 LYS 73 2HE LYS 73 -4.553 -10.067 3.237 609 HE3 LYS 73 3HE LYS 73 -2.940 -9.763 3.878 610 HZ1 LYS 73 3HZ LYS 73 -4.273 -12.414 3.696 611 HZ2 LYS 73 1HZ LYS 73 -2.732 -12.134 4.334 612 HZ3 LYS 73 2HZ LYS 73 -3.032 -11.849 2.699 613 H GLY 74 H GLY 74 -8.550 -6.566 5.784 614 HA2 GLY 74 2HA GLY 74 -7.720 -4.614 7.787 615 HA3 GLY 74 3HA GLY 74 -9.345 -5.234 7.514 616 H SER 75 H SER 75 -8.313 -8.029 7.535 617 HA SER 75 HA SER 75 -7.199 -8.578 10.126 618 HB2 SER 75 2HB SER 75 -9.594 -8.055 10.717 619 HB3 SER 75 3HB SER 75 -10.130 -9.349 9.650 620 HG SER 75 HG SER 75 -9.776 -10.680 11.228 621 H LEU 76 H LEU 76 -7.586 -11.101 10.503 622 HA LEU 76 HA LEU 76 -7.063 -12.600 7.987 623 HB2 LEU 76 2HB LEU 76 -5.622 -12.643 10.676 624 HB3 LEU 76 3HB LEU 76 -5.459 -13.963 9.537 625 HG LEU 76 HG LEU 76 -4.812 -11.168 8.597 626 HD11 LEU 76 1HD1 LEU 76 -2.836 -12.890 10.125 627 HD12 LEU 76 2HD1 LEU 76 -3.605 -11.425 10.746 628 HD13 LEU 76 3HD1 LEU 76 -2.539 -11.329 9.352 629 HD21 LEU 76 3HD2 LEU 76 -4.895 -12.982 6.958 630 HD22 LEU 76 1HD2 LEU 76 -3.719 -13.915 7.893 631 HD23 LEU 76 2HD2 LEU 76 -3.249 -12.385 7.145 632 H GLU 77 H GLU 77 -7.114 -15.147 8.730 633 HA GLU 77 HA GLU 77 -9.660 -15.852 9.838 634 HB2 GLU 77 2HB GLU 77 -7.186 -17.654 9.803 635 HB3 GLU 77 3HB GLU 77 -8.868 -18.167 9.840 636 HG2 GLU 77 2HG GLU 77 -7.370 -16.920 7.522 637 HG3 GLU 77 3HG GLU 77 -7.951 -18.577 7.646 638 H HIS 78 H HIS 78 -6.401 -15.724 11.026 639 HA HIS 78 HA HIS 78 -7.119 -14.779 13.629 640 HB2 HIS 78 2HB HIS 78 -5.902 -16.539 14.922 641 HB3 HIS 78 3HB HIS 78 -7.287 -17.231 14.082 642 HD1 HIS 78 HD1 HIS 78 -3.682 -17.635 14.508 643 HD2 HIS 78 HD2 HIS 78 -6.508 -18.712 11.660 644 HE1 HIS 78 HE1 HIS 78 -2.585 -19.397 13.097 645 HE2 HIS 78 HE2 HIS 78 -4.396 -20.178 11.549 646 H HIS 79 H HIS 79 -5.281 -13.658 14.512 647 HA HIS 79 HA HIS 79 -3.458 -12.648 12.588 648 HB2 HIS 79 2HB HIS 79 -3.410 -12.381 15.619 649 HB3 HIS 79 3HB HIS 79 -2.404 -11.434 14.525 650 HD1 HIS 79 HD1 HIS 79 -5.367 -11.075 16.392 651 HD2 HIS 79 HD2 HIS 79 -4.292 -10.035 12.517 652 HE1 HIS 79 HE1 HIS 79 -6.996 -9.290 15.705 653 HE2 HIS 79 HE2 HIS 79 -6.202 -8.562 13.429 654 H HIS 80 H HIS 80 -1.836 -13.757 11.742 655 HA HIS 80 HA HIS 80 -1.025 -16.314 12.686 656 HB2 HIS 80 2HB HIS 80 -1.280 -15.769 10.281 657 HB3 HIS 80 3HB HIS 80 0.046 -14.619 10.383 658 HD1 HIS 80 HD1 HIS 80 2.099 -15.531 9.380 659 HD2 HIS 80 HD2 HIS 80 -0.166 -18.536 11.147 660 HE1 HIS 80 HE1 HIS 80 3.380 -17.657 8.995 661 HE2 HIS 80 HE2 HIS 80 2.034 -19.442 10.145 662 H HIS 81 H HIS 81 -0.194 -15.731 14.735 663 HA HIS 81 HA HIS 81 2.458 -16.027 15.202 664 HB2 HIS 81 2HB HIS 81 3.171 -13.749 16.169 665 HB3 HIS 81 3HB HIS 81 3.123 -13.855 14.421 666 HD1 HIS 81 HD1 HIS 81 1.813 -12.114 13.223 667 HD2 HIS 81 HD2 HIS 81 0.869 -12.258 17.266 668 HE1 HIS 81 HE1 HIS 81 0.295 -10.157 13.634 669 HE2 HIS 81 HE2 HIS 81 -0.022 -10.136 16.120 670 H HIS 82 H HIS 82 -0.619 -15.874 16.169 671 HA HIS 82 HA HIS 82 -0.334 -15.157 18.969 672 HB2 HIS 82 2HB HIS 82 -2.377 -14.529 17.696 673 HB3 HIS 82 3HB HIS 82 -2.742 -16.228 17.427 674 HD1 HIS 82 HD1 HIS 82 -4.368 -17.199 19.058 675 HD2 HIS 82 HD2 HIS 82 -2.373 -13.911 20.645 676 HE1 HIS 82 HE1 HIS 82 -5.414 -16.793 21.306 677 HE2 HIS 82 HE2 HIS 82 -4.088 -14.906 22.299 678 H HIS 83 H HIS 83 1.338 -16.850 19.235 679 HA HIS 83 HA HIS 83 0.455 -18.810 20.990 680 HB2 HIS 83 2HB HIS 83 0.240 -19.870 18.363 681 HB3 HIS 83 3HB HIS 83 1.773 -20.516 18.912 682 HD1 HIS 83 HD1 HIS 83 1.691 -22.265 20.815 683 HD2 HIS 83 HD2 HIS 83 -2.038 -20.893 19.606 684 HE1 HIS 83 HE1 HIS 83 0.030 -23.858 21.823 685 HE2 HIS 83 HE2 HIS 83 -2.216 -22.903 21.208
Contact the webmaster for help, if required. Tuesday, May 21, 2024 11:49:26 AM GMT (wattos1)