NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
586822 | 2mr9 | 25066 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 -18.150 0.044 -2.962 2 H2 GLY 1 2HT GLY 1 -18.733 1.577 -2.535 3 H3 GLY 1 3HT GLY 1 -18.098 0.550 -1.348 4 HA2 GLY 1 1HA GLY 1 -16.556 1.702 -3.604 5 HA3 GLY 1 2HA GLY 1 -16.545 2.327 -1.958 6 H SER 2 H SER 2 -15.478 -0.206 -4.084 7 HA SER 2 HA SER 2 -14.209 -1.726 -1.997 8 HB2 SER 2 2HB SER 2 -13.208 -2.959 -3.993 9 HB3 SER 2 1HB SER 2 -14.969 -2.986 -3.863 10 HG SER 2 HG SER 2 -13.314 -1.673 -5.698 11 H ALA 3 H ALA 3 -12.988 0.010 -1.076 12 HA ALA 3 HA ALA 3 -10.614 0.771 -2.639 13 HB1 ALA 3 1HB ALA 3 -11.818 2.124 -0.220 14 HB2 ALA 3 2HB ALA 3 -11.954 2.672 -1.893 15 HB3 ALA 3 3HB ALA 3 -10.382 2.660 -1.094 16 H THR 4 H THR 4 -9.439 -1.099 -2.224 17 HA THR 4 HA THR 4 -9.001 -2.087 0.393 18 HB THR 4 HB THR 4 -7.069 -2.657 -1.767 19 HG1 THR 4 1HG THR 4 -9.099 -2.682 -2.843 20 HG21 THR 4 3HG2 THR 4 -7.239 -4.937 -0.895 21 HG22 THR 4 1HG2 THR 4 -8.513 -4.427 0.211 22 HG23 THR 4 2HG2 THR 4 -6.877 -3.795 0.401 23 H PHE 5 H PHE 5 -7.734 0.266 -1.439 24 HA PHE 5 HA PHE 5 -5.404 0.612 0.216 25 HB2 PHE 5 2HB PHE 5 -5.752 1.697 -2.498 26 HB3 PHE 5 1HB PHE 5 -4.296 1.374 -1.641 27 HD1 PHE 5 1HD PHE 5 -4.171 -0.753 -0.882 28 HD2 PHE 5 2HD PHE 5 -6.514 0.084 -4.169 29 HE1 PHE 5 1HE PHE 5 -4.109 -3.001 -1.415 30 HE2 PHE 5 2HE PHE 5 -6.432 -2.337 -4.813 31 HZ PHE 5 HZ PHE 5 -5.143 -3.878 -3.269 32 HA PRO 6 HA PRO 6 -7.757 4.080 1.557 33 HB2 PRO 6 2HB PRO 6 -6.742 4.100 4.017 34 HB3 PRO 6 1HB PRO 6 -7.872 2.892 3.450 35 HG2 PRO 6 2HG PRO 6 -5.076 2.621 3.974 36 HG3 PRO 6 1HG PRO 6 -6.361 1.421 3.988 37 HD2 PRO 6 2HD PRO 6 -4.499 1.997 1.928 38 HD3 PRO 6 1HD PRO 6 -5.752 0.769 1.913 39 H GLU 7 H GLU 7 -7.284 6.037 0.904 40 HA GLU 7 HA GLU 7 -4.972 6.836 -0.219 41 HB2 GLU 7 2HB GLU 7 -6.926 8.672 1.157 42 HB3 GLU 7 1HB GLU 7 -5.827 9.090 -0.144 43 HG2 GLU 7 2HG GLU 7 -6.981 7.572 -1.645 44 HG3 GLU 7 1HG GLU 7 -8.083 7.121 -0.345 45 H GLN 8 H GLN 8 -5.912 7.648 3.130 46 HA GLN 8 HA GLN 8 -3.818 9.139 3.996 47 HB2 GLN 8 2HB GLN 8 -5.545 8.535 5.529 48 HB3 GLN 8 1HB GLN 8 -5.171 6.830 5.358 49 HG2 GLN 8 2HG GLN 8 -3.101 7.092 6.512 50 HG3 GLN 8 1HG GLN 8 -3.305 8.832 6.548 51 HE21 GLN 8 1HE2 GLN 8 -5.924 6.595 7.137 52 HE22 GLN 8 2HE2 GLN 8 -6.097 6.949 8.817 53 H THR 9 H THR 9 -3.806 5.610 4.149 54 HA THR 9 HA THR 9 -1.141 5.400 4.841 55 HB THR 9 HB THR 9 -1.435 3.063 4.678 56 HG1 THR 9 1HG THR 9 -3.630 3.770 3.058 57 HG21 THR 9 3HG2 THR 9 -2.507 4.077 6.598 58 HG22 THR 9 1HG2 THR 9 -3.482 2.724 6.025 59 HG23 THR 9 2HG2 THR 9 -3.960 4.379 5.646 60 H ILE 10 H ILE 10 -2.775 5.457 1.870 61 HA ILE 10 HA ILE 10 -0.952 4.254 0.160 62 HB ILE 10 HB ILE 10 -2.910 6.473 -0.295 63 HG12 ILE 10 2HG1 ILE 10 -2.940 3.554 -1.048 64 HG13 ILE 10 1HG1 ILE 10 -3.850 4.284 0.270 65 HG21 ILE 10 1HG2 ILE 10 -1.306 4.943 -2.323 66 HG22 ILE 10 2HG2 ILE 10 -1.098 6.643 -1.905 67 HG23 ILE 10 3HG2 ILE 10 -2.587 6.098 -2.677 68 HD11 ILE 10 3HD1 ILE 10 -4.151 4.919 -2.635 69 HD12 ILE 10 1HD1 ILE 10 -5.058 5.648 -1.312 70 HD13 ILE 10 2HD1 ILE 10 -5.239 3.929 -1.662 71 H LYS 11 H LYS 11 -1.480 7.546 1.102 72 HA LYS 11 HA LYS 11 0.798 8.543 -0.187 73 HB2 LYS 11 2HB LYS 11 -0.773 9.806 2.021 74 HB3 LYS 11 1HB LYS 11 0.120 10.628 0.735 75 HG2 LYS 11 2HG LYS 11 -1.478 9.259 -0.815 76 HG3 LYS 11 1HG LYS 11 -2.463 9.143 0.633 77 HD2 LYS 11 2HD LYS 11 -2.551 11.573 0.813 78 HD3 LYS 11 1HD LYS 11 -1.579 11.718 -0.656 79 HE2 LYS 11 2HE LYS 11 -3.290 10.620 -1.950 80 HE3 LYS 11 1HE LYS 11 -4.232 10.294 -0.500 81 HZ1 LYS 11 3HZ LYS 11 -4.670 12.610 -0.235 82 HZ2 LYS 11 1HZ LYS 11 -5.056 12.180 -1.828 83 HZ3 LYS 11 2HZ LYS 11 -3.622 13.021 -1.506 84 H GLN 12 H GLN 12 0.199 7.119 2.959 85 HA GLN 12 HA GLN 12 2.592 7.975 4.157 86 HB2 GLN 12 2HB GLN 12 0.502 5.909 4.587 87 HB3 GLN 12 1HB GLN 12 1.971 5.822 5.487 88 HG2 GLN 12 2HG GLN 12 -0.006 8.059 5.471 89 HG3 GLN 12 1HG GLN 12 0.346 6.961 6.803 90 HE21 GLN 12 1HE2 GLN 12 1.456 9.676 4.956 91 HE22 GLN 12 2HE2 GLN 12 2.682 10.187 6.061 92 H LEU 13 H LEU 13 1.761 5.427 1.967 93 HA LEU 13 HA LEU 13 4.204 3.975 2.432 94 HB2 LEU 13 2HB LEU 13 1.976 3.493 0.475 95 HB3 LEU 13 1HB LEU 13 3.296 2.406 0.814 96 HG LEU 13 HG LEU 13 1.173 3.260 2.721 97 HD11 LEU 13 1HD1 LEU 13 0.378 1.627 1.107 98 HD12 LEU 13 2HD1 LEU 13 0.516 0.893 2.705 99 HD13 LEU 13 3HD1 LEU 13 1.743 0.575 1.480 100 HD21 LEU 13 3HD2 LEU 13 3.495 1.411 3.173 101 HD22 LEU 13 1HD2 LEU 13 2.176 1.702 4.306 102 HD23 LEU 13 2HD2 LEU 13 3.274 3.014 3.878 103 H MET 14 H MET 14 2.535 5.695 -0.177 104 HA MET 14 HA MET 14 4.623 6.066 -1.937 105 HB2 MET 14 2HB MET 14 2.408 7.875 -1.003 106 HB3 MET 14 1HB MET 14 3.446 8.232 -2.373 107 HG2 MET 14 2HG MET 14 1.184 6.476 -2.196 108 HG3 MET 14 1HG MET 14 2.008 7.153 -3.563 109 HE1 MET 14 3HE MET 14 2.145 2.936 -2.235 110 HE2 MET 14 1HE MET 14 0.806 4.076 -2.381 111 HE3 MET 14 2HE MET 14 1.951 4.225 -1.047 112 H ASP 15 H ASP 15 3.939 7.462 1.119 113 HA ASP 15 HA ASP 15 5.810 9.517 1.247 114 HB2 ASP 15 2HB ASP 15 3.938 8.912 2.892 115 HB3 ASP 15 1HB ASP 15 5.067 7.744 3.555 116 H LEU 16 H LEU 16 6.188 5.956 1.738 117 HA LEU 16 HA LEU 16 8.868 6.259 2.675 118 HB2 LEU 16 2HB LEU 16 7.769 3.868 1.251 119 HB3 LEU 16 1HB LEU 16 8.963 3.935 2.521 120 HG LEU 16 HG LEU 16 6.087 4.598 2.892 121 HD11 LEU 16 1HD1 LEU 16 7.533 2.054 3.437 122 HD12 LEU 16 2HD1 LEU 16 6.181 2.340 2.336 123 HD13 LEU 16 3HD1 LEU 16 5.939 2.460 4.076 124 HD21 LEU 16 3HD2 LEU 16 8.276 4.123 4.898 125 HD22 LEU 16 1HD2 LEU 16 6.583 4.430 5.280 126 HD23 LEU 16 2HD2 LEU 16 7.555 5.686 4.511 127 H GLY 17 H GLY 17 7.427 6.751 -0.315 128 HA2 GLY 17 2HA GLY 17 8.780 7.802 -2.027 129 HA3 GLY 17 1HA GLY 17 10.054 6.652 -1.650 130 H PHE 18 H PHE 18 6.808 5.437 -1.782 131 HA PHE 18 HA PHE 18 7.630 3.849 -4.077 132 HB2 PHE 18 2HB PHE 18 5.470 3.538 -2.021 133 HB3 PHE 18 1HB PHE 18 5.810 2.356 -3.255 134 HD1 PHE 18 2HD PHE 18 8.688 2.246 -3.408 135 HD2 PHE 18 1HD PHE 18 6.084 2.739 -0.179 136 HE1 PHE 18 2HE PHE 18 10.405 1.338 -1.882 137 HE2 PHE 18 1HE PHE 18 7.686 1.905 1.320 138 HZ PHE 18 HZ PHE 18 9.858 1.188 0.521 139 HA PRO 19 HA PRO 19 4.299 5.367 -6.704 140 HB2 PRO 19 2HB PRO 19 3.801 3.282 -8.197 141 HB3 PRO 19 1HB PRO 19 5.455 3.901 -8.164 142 HG2 PRO 19 2HG PRO 19 4.309 1.688 -6.527 143 HG3 PRO 19 1HG PRO 19 5.671 1.673 -7.647 144 HD2 PRO 19 2HD PRO 19 6.054 2.083 -4.989 145 HD3 PRO 19 1HD PRO 19 7.052 2.898 -6.222 146 H ARG 20 H ARG 20 2.089 4.990 -7.182 147 HA ARG 20 HA ARG 20 0.543 4.311 -4.900 148 HB2 ARG 20 2HB ARG 20 -0.201 6.040 -6.419 149 HB3 ARG 20 1HB ARG 20 -0.231 4.908 -7.757 150 HG2 ARG 20 2HG ARG 20 -2.078 3.813 -6.976 151 HG3 ARG 20 1HG ARG 20 -1.878 4.429 -5.345 152 HD2 ARG 20 2HD ARG 20 -2.248 6.734 -6.433 153 HD3 ARG 20 1HD ARG 20 -2.928 5.816 -7.775 154 HE ARG 20 HE ARG 20 -4.188 4.851 -5.535 155 HH11 ARG 20 1HH1 ARG 20 -3.900 7.969 -7.118 156 HH12 ARG 20 2HH1 ARG 20 -5.424 8.549 -6.507 157 HH21 ARG 20 1HH2 ARG 20 -6.160 5.621 -4.709 158 HH22 ARG 20 2HH2 ARG 20 -6.694 7.237 -5.105 159 H ASP 21 H ASP 21 1.366 2.902 -7.884 160 HA ASP 21 HA ASP 21 -0.128 0.586 -8.028 161 HB2 ASP 21 2HB ASP 21 1.330 1.197 -9.815 162 HB3 ASP 21 1HB ASP 21 2.742 1.159 -8.768 163 H ALA 22 H ALA 22 2.589 1.335 -5.924 164 HA ALA 22 HA ALA 22 3.079 -1.342 -5.083 165 HB1 ALA 22 1HB ALA 22 4.793 0.395 -4.928 166 HB2 ALA 22 2HB ALA 22 4.481 -0.350 -3.359 167 HB3 ALA 22 3HB ALA 22 3.820 1.243 -3.727 168 H VAL 23 H VAL 23 1.036 1.301 -3.851 169 HA VAL 23 HA VAL 23 0.343 0.054 -1.416 170 HB VAL 23 HB VAL 23 -0.159 2.489 -2.526 171 HG11 VAL 23 1HG1 VAL 23 -1.925 1.756 -3.923 172 HG12 VAL 23 2HG1 VAL 23 -2.615 2.733 -2.618 173 HG13 VAL 23 3HG1 VAL 23 -2.732 0.970 -2.567 174 HG21 VAL 23 3HG2 VAL 23 -0.563 2.941 -0.410 175 HG22 VAL 23 1HG2 VAL 23 -0.594 1.200 -0.094 176 HG23 VAL 23 2HG2 VAL 23 -2.103 2.038 -0.489 177 H VAL 24 H VAL 24 -0.984 0.062 -4.562 178 HA VAL 24 HA VAL 24 -3.161 -1.540 -3.861 179 HB VAL 24 HB VAL 24 -1.982 -0.727 -6.485 180 HG11 VAL 24 1HG1 VAL 24 -4.011 -1.691 -7.555 181 HG12 VAL 24 2HG1 VAL 24 -4.453 -2.415 -6.005 182 HG13 VAL 24 3HG1 VAL 24 -2.984 -2.933 -6.833 183 HG21 VAL 24 3HG2 VAL 24 -4.352 0.375 -6.471 184 HG22 VAL 24 1HG2 VAL 24 -3.040 1.063 -5.503 185 HG23 VAL 24 2HG2 VAL 24 -4.266 0.053 -4.727 186 H LYS 25 H LYS 25 -0.082 -2.453 -5.441 187 HA LYS 25 HA LYS 25 -0.847 -5.146 -5.761 188 HB2 LYS 25 2HB LYS 25 1.821 -3.779 -5.531 189 HB3 LYS 25 1HB LYS 25 1.713 -5.530 -5.639 190 HG2 LYS 25 2HG LYS 25 0.743 -5.428 -7.795 191 HG3 LYS 25 1HG LYS 25 0.476 -3.687 -7.666 192 HD2 LYS 25 2HD LYS 25 2.863 -3.295 -7.662 193 HD3 LYS 25 1HD LYS 25 3.177 -5.032 -7.702 194 HE2 LYS 25 2HE LYS 25 2.307 -5.236 -9.890 195 HE3 LYS 25 1HE LYS 25 1.597 -3.623 -9.838 196 HZ1 LYS 25 3HZ LYS 25 3.912 -2.755 -9.669 197 HZ2 LYS 25 1HZ LYS 25 3.549 -3.505 -11.145 198 HZ3 LYS 25 2HZ LYS 25 4.480 -4.325 -9.992 199 H ALA 26 H ALA 26 0.566 -3.372 -3.050 200 HA ALA 26 HA ALA 26 1.206 -5.868 -1.742 201 HB1 ALA 26 1HB ALA 26 2.212 -4.462 -0.021 202 HB2 ALA 26 2HB ALA 26 1.573 -3.024 -0.821 203 HB3 ALA 26 3HB ALA 26 2.787 -4.016 -1.628 204 H LEU 27 H LEU 27 -1.083 -3.190 -1.378 205 HA LEU 27 HA LEU 27 -1.998 -4.292 1.089 206 HB2 LEU 27 2HB LEU 27 -3.187 -2.194 -0.700 207 HB3 LEU 27 1HB LEU 27 -3.826 -2.622 0.863 208 HG LEU 27 HG LEU 27 -2.389 -0.504 0.524 209 HD11 LEU 27 1HD1 LEU 27 -1.848 -2.385 2.769 210 HD12 LEU 27 2HD1 LEU 27 -3.218 -1.283 2.657 211 HD13 LEU 27 3HD1 LEU 27 -1.581 -0.644 2.805 212 HD21 LEU 27 3HD2 LEU 27 -0.052 -0.765 0.899 213 HD22 LEU 27 1HD2 LEU 27 -0.593 -1.568 -0.584 214 HD23 LEU 27 2HD2 LEU 27 -0.271 -2.522 0.862 215 H LYS 28 H LYS 28 -2.841 -4.544 -2.325 216 HA LYS 28 HA LYS 28 -5.251 -5.854 -2.070 217 HB2 LYS 28 2HB LYS 28 -3.468 -5.357 -4.133 218 HB3 LYS 28 1HB LYS 28 -3.630 -7.101 -4.125 219 HG2 LYS 28 2HG LYS 28 -5.340 -5.122 -5.219 220 HG3 LYS 28 1HG LYS 28 -5.497 -6.878 -5.298 221 HD2 LYS 28 2HD LYS 28 -6.697 -6.844 -3.159 222 HD3 LYS 28 1HD LYS 28 -6.509 -5.092 -3.108 223 HE2 LYS 28 2HE LYS 28 -7.804 -4.889 -5.176 224 HE3 LYS 28 1HE LYS 28 -7.997 -6.639 -5.219 225 HZ1 LYS 28 3HZ LYS 28 -8.992 -4.888 -3.034 226 HZ2 LYS 28 1HZ LYS 28 -9.256 -6.555 -3.194 227 HZ3 LYS 28 2HZ LYS 28 -9.942 -5.473 -4.308 228 H GLN 29 H GLN 29 -1.927 -7.283 -1.916 229 HA GLN 29 HA GLN 29 -3.055 -9.902 -1.621 230 HB2 GLN 29 2HB GLN 29 -0.762 -10.547 -1.247 231 HB3 GLN 29 1HB GLN 29 -0.918 -9.520 -2.621 232 HG2 GLN 29 2HG GLN 29 -0.257 -7.650 -1.011 233 HG3 GLN 29 1HG GLN 29 0.345 -8.982 -0.035 234 HE21 GLN 29 1HE2 GLN 29 1.725 -6.823 -1.496 235 HE22 GLN 29 2HE2 GLN 29 2.844 -7.612 -2.537 236 H THR 30 H THR 30 -2.078 -7.394 0.519 237 HA THR 30 HA THR 30 -2.354 -9.021 2.911 238 HB THR 30 HB THR 30 -1.829 -6.879 4.056 239 HG1 THR 30 1HG THR 30 -1.199 -5.782 1.557 240 HG21 THR 30 3HG2 THR 30 0.499 -6.745 3.312 241 HG22 THR 30 1HG2 THR 30 0.081 -7.628 1.841 242 HG23 THR 30 2HG2 THR 30 -0.024 -8.428 3.413 243 H ASN 31 H ASN 31 -4.459 -7.582 0.917 244 HA ASN 31 HA ASN 31 -6.410 -6.489 0.929 245 HB2 ASN 31 2HB ASN 31 -6.704 -8.036 3.510 246 HB3 ASN 31 1HB ASN 31 -8.012 -7.083 2.815 247 HD21 ASN 31 1HD2 ASN 31 -6.164 -9.977 2.633 248 HD22 ASN 31 2HD2 ASN 31 -7.061 -10.723 1.345 249 H GLY 32 H GLY 32 -4.592 -4.675 1.422 250 HA2 GLY 32 2HA GLY 32 -4.754 -2.481 1.860 251 HA3 GLY 32 1HA GLY 32 -6.327 -2.770 2.576 252 H ASN 33 H ASN 33 -3.994 -4.628 4.377 253 HA ASN 33 HA ASN 33 -4.195 -2.602 6.371 254 HB2 ASN 33 2HB ASN 33 -3.466 -4.207 7.920 255 HB3 ASN 33 1HB ASN 33 -4.631 -4.960 6.883 256 HD21 ASN 33 1HD2 ASN 33 -2.288 -5.079 4.876 257 HD22 ASN 33 2HD2 ASN 33 -1.484 -6.526 5.363 258 H ALA 34 H ALA 34 -2.898 -1.043 6.612 259 HA ALA 34 HA ALA 34 -1.103 -0.419 4.664 260 HB1 ALA 34 1HB ALA 34 -0.541 1.535 5.929 261 HB2 ALA 34 2HB ALA 34 -1.120 0.782 7.414 262 HB3 ALA 34 3HB ALA 34 -2.258 1.184 6.127 263 H GLU 35 H GLU 35 -0.004 -1.013 8.029 264 HA GLU 35 HA GLU 35 2.573 -0.664 7.473 265 HB2 GLU 35 2HB GLU 35 1.100 -1.951 9.644 266 HB3 GLU 35 1HB GLU 35 2.840 -2.031 9.617 267 HG2 GLU 35 2HG GLU 35 1.321 0.489 9.387 268 HG3 GLU 35 1HG GLU 35 1.807 -0.202 10.908 269 H PHE 36 H PHE 36 0.704 -3.447 7.471 270 HA PHE 36 HA PHE 36 2.712 -5.385 7.191 271 HB2 PHE 36 2HB PHE 36 -0.238 -5.217 6.808 272 HB3 PHE 36 1HB PHE 36 0.577 -6.642 6.205 273 HD1 PHE 36 1HD PHE 36 0.816 -4.478 9.180 274 HD2 PHE 36 2HD PHE 36 0.435 -8.446 7.722 275 HE1 PHE 36 1HE PHE 36 0.832 -5.260 11.410 276 HE2 PHE 36 2HE PHE 36 0.443 -9.283 10.046 277 HZ PHE 36 HZ PHE 36 0.644 -7.682 11.918 278 H ALA 37 H ALA 37 0.652 -3.691 4.892 279 HA ALA 37 HA ALA 37 1.607 -5.187 2.675 280 HB1 ALA 37 1HB ALA 37 0.300 -3.655 1.397 281 HB2 ALA 37 2HB ALA 37 0.141 -2.599 2.800 282 HB3 ALA 37 3HB ALA 37 -0.590 -4.202 2.815 283 H ALA 38 H ALA 38 2.436 -2.091 4.109 284 HA ALA 38 HA ALA 38 4.221 -1.131 2.236 285 HB1 ALA 38 1HB ALA 38 3.593 0.102 4.248 286 HB2 ALA 38 2HB ALA 38 5.344 -0.018 4.089 287 HB3 ALA 38 3HB ALA 38 4.490 -1.049 5.238 288 H SER 39 H SER 39 4.618 -3.553 4.747 289 HA SER 39 HA SER 39 7.429 -3.883 4.334 290 HB2 SER 39 2HB SER 39 5.413 -5.636 5.758 291 HB3 SER 39 1HB SER 39 7.167 -5.803 5.865 292 HG SER 39 HG SER 39 7.120 -3.542 6.646 293 H LEU 40 H LEU 40 4.531 -4.968 2.942 294 HA LEU 40 HA LEU 40 5.601 -7.288 1.682 295 HB2 LEU 40 2HB LEU 40 3.072 -6.148 2.199 296 HB3 LEU 40 1HB LEU 40 3.273 -6.118 0.494 297 HG LEU 40 HG LEU 40 2.132 -8.146 1.012 298 HD11 LEU 40 1HD1 LEU 40 5.042 -8.763 0.541 299 HD12 LEU 40 2HD1 LEU 40 3.834 -8.414 -0.695 300 HD13 LEU 40 3HD1 LEU 40 3.703 -9.879 0.277 301 HD21 LEU 40 3HD2 LEU 40 3.007 -9.775 2.613 302 HD22 LEU 40 1HD2 LEU 40 2.668 -8.227 3.386 303 HD23 LEU 40 2HD2 LEU 40 4.330 -8.678 3.006 304 H LEU 41 H LEU 41 4.744 -3.902 0.823 305 HA LEU 41 HA LEU 41 5.298 -4.307 -1.910 306 HB2 LEU 41 2HB LEU 41 4.842 -2.046 -2.212 307 HB3 LEU 41 1HB LEU 41 3.791 -2.606 -0.930 308 HG LEU 41 HG LEU 41 5.422 -1.586 0.687 309 HD11 LEU 41 1HD1 LEU 41 7.264 -1.518 -0.863 310 HD12 LEU 41 2HD1 LEU 41 6.932 0.048 -0.115 311 HD13 LEU 41 3HD1 LEU 41 6.432 -0.263 -1.781 312 HD21 LEU 41 3HD2 LEU 41 4.517 0.648 0.350 313 HD22 LEU 41 1HD2 LEU 41 3.292 -0.601 0.136 314 HD23 LEU 41 2HD2 LEU 41 4.007 0.182 -1.273 315 H PHE 42 H PHE 42 7.101 -3.613 0.842 316 HA PHE 42 HA PHE 42 9.399 -2.433 0.037 317 HB2 PHE 42 2HB PHE 42 8.539 -4.047 2.239 318 HB3 PHE 42 1HB PHE 42 10.193 -4.464 1.801 319 HD1 PHE 42 1HD PHE 42 7.921 -1.780 2.399 320 HD2 PHE 42 2HD PHE 42 11.956 -3.021 2.506 321 HE1 PHE 42 1HE PHE 42 8.525 0.320 3.413 322 HE2 PHE 42 2HE PHE 42 12.604 -0.888 3.574 323 HZ PHE 42 HZ PHE 42 10.868 0.812 4.036 324 H GLN 43 H GLN 43 8.195 -5.646 -0.714 325 HA GLN 43 HA GLN 43 10.660 -6.944 -1.177 326 HB2 GLN 43 2HB GLN 43 9.434 -8.754 -1.710 327 HB3 GLN 43 1HB GLN 43 8.078 -7.784 -1.167 328 HG2 GLN 43 2HG GLN 43 8.835 -7.441 -3.993 329 HG3 GLN 43 1HG GLN 43 8.216 -9.030 -3.564 330 HE21 GLN 43 1HE2 GLN 43 6.310 -8.348 -1.678 331 HE22 GLN 43 2HE2 GLN 43 5.076 -7.397 -2.418 332 H SER 44 H SER 44 8.916 -4.715 -3.064 333 HA SER 44 HA SER 44 10.784 -5.139 -5.300 334 HB2 SER 44 2HB SER 44 7.945 -4.083 -5.409 335 HB3 SER 44 1HB SER 44 9.043 -4.170 -6.784 336 HG SER 44 HG SER 44 7.831 -6.267 -5.333 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -10.614 7.041 -1.119 2 H2 GLY 1 2HT GLY 1 -11.675 6.592 0.127 3 H3 GLY 1 3HT GLY 1 -11.934 8.031 -0.723 4 HA2 GLY 1 1HA GLY 1 -13.491 6.373 -1.460 5 HA3 GLY 1 2HA GLY 1 -12.370 6.784 -2.750 6 H SER 2 H SER 2 -11.761 4.720 0.069 7 HA SER 2 HA SER 2 -12.087 2.236 -1.207 8 HB2 SER 2 2HB SER 2 -10.173 2.984 -2.588 9 HB3 SER 2 1HB SER 2 -9.223 3.242 -1.126 10 HG SER 2 HG SER 2 -10.356 0.725 -1.809 11 H ALA 3 H ALA 3 -11.437 0.485 0.153 12 HA ALA 3 HA ALA 3 -10.847 1.314 2.918 13 HB1 ALA 3 1HB ALA 3 -12.159 -1.209 1.903 14 HB2 ALA 3 2HB ALA 3 -12.968 0.152 2.680 15 HB3 ALA 3 3HB ALA 3 -11.831 -0.838 3.595 16 H THR 4 H THR 4 -9.758 -0.507 0.217 17 HA THR 4 HA THR 4 -7.763 -1.937 1.690 18 HB THR 4 HB THR 4 -7.169 -2.646 -0.757 19 HG1 THR 4 1HG THR 4 -9.271 -2.642 -1.923 20 HG21 THR 4 3HG2 THR 4 -9.642 -3.608 0.688 21 HG22 THR 4 1HG2 THR 4 -7.996 -4.181 0.959 22 HG23 THR 4 2HG2 THR 4 -8.791 -4.484 -0.586 23 H PHE 5 H PHE 5 -7.917 0.282 -0.758 24 HA PHE 5 HA PHE 5 -5.083 1.027 -0.554 25 HB2 PHE 5 2HB PHE 5 -6.964 1.319 -2.757 26 HB3 PHE 5 1HB PHE 5 -5.213 1.335 -2.909 27 HD1 PHE 5 1HD PHE 5 -4.590 -0.923 -1.314 28 HD2 PHE 5 2HD PHE 5 -7.670 -0.504 -4.163 29 HE1 PHE 5 1HE PHE 5 -4.609 -3.196 -1.591 30 HE2 PHE 5 2HE PHE 5 -7.677 -2.977 -4.441 31 HZ PHE 5 HZ PHE 5 -6.077 -4.307 -3.043 32 HA PRO 6 HA PRO 6 -8.077 4.873 -0.134 33 HB2 PRO 6 2HB PRO 6 -7.816 5.314 2.516 34 HB3 PRO 6 1HB PRO 6 -9.063 4.316 1.794 35 HG2 PRO 6 2HG PRO 6 -6.554 3.473 3.003 36 HG3 PRO 6 1HG PRO 6 -8.184 2.839 3.197 37 HD2 PRO 6 2HD PRO 6 -6.444 1.663 1.552 38 HD3 PRO 6 1HD PRO 6 -8.139 1.730 1.142 39 H GLU 7 H GLU 7 -7.470 6.951 0.101 40 HA GLU 7 HA GLU 7 -4.971 7.629 -0.739 41 HB2 GLU 7 2HB GLU 7 -6.895 9.393 0.758 42 HB3 GLU 7 1HB GLU 7 -5.615 9.929 -0.308 43 HG2 GLU 7 2HG GLU 7 -7.335 10.060 -1.757 44 HG3 GLU 7 1HG GLU 7 -6.909 8.372 -2.004 45 H GLN 8 H GLN 8 -6.122 7.601 2.620 46 HA GLN 8 HA GLN 8 -3.949 8.759 3.892 47 HB2 GLN 8 2HB GLN 8 -5.092 6.220 4.997 48 HB3 GLN 8 1HB GLN 8 -4.620 7.686 5.842 49 HG2 GLN 8 2HG GLN 8 -6.598 8.659 4.399 50 HG3 GLN 8 1HG GLN 8 -7.144 6.996 4.502 51 HE21 GLN 8 1HE2 GLN 8 -5.912 6.539 7.086 52 HE22 GLN 8 2HE2 GLN 8 -6.893 7.370 8.243 53 H THR 9 H THR 9 -4.426 5.325 3.277 54 HA THR 9 HA THR 9 -1.865 4.568 3.979 55 HB THR 9 HB THR 9 -2.437 2.409 3.025 56 HG1 THR 9 1HG THR 9 -4.225 3.863 1.632 57 HG21 THR 9 3HG2 THR 9 -3.168 2.923 5.281 58 HG22 THR 9 1HG2 THR 9 -4.357 1.910 4.462 59 HG23 THR 9 2HG2 THR 9 -4.645 3.641 4.637 60 H ILE 10 H ILE 10 -3.332 5.440 1.030 61 HA ILE 10 HA ILE 10 -1.440 4.804 -0.860 62 HB ILE 10 HB ILE 10 -3.137 7.297 -0.589 63 HG12 ILE 10 2HG1 ILE 10 -4.265 5.047 -0.971 64 HG13 ILE 10 1HG1 ILE 10 -4.659 6.331 -2.105 65 HG21 ILE 10 1HG2 ILE 10 -1.520 6.401 -2.949 66 HG22 ILE 10 2HG2 ILE 10 -1.208 7.804 -1.932 67 HG23 ILE 10 3HG2 ILE 10 -2.656 7.747 -2.936 68 HD11 ILE 10 3HD1 ILE 10 -4.358 4.255 -3.266 69 HD12 ILE 10 1HD1 ILE 10 -2.757 4.058 -2.555 70 HD13 ILE 10 2HD1 ILE 10 -3.060 5.370 -3.695 71 H LYS 11 H LYS 11 -1.783 7.790 0.978 72 HA LYS 11 HA LYS 11 0.683 8.711 0.016 73 HB2 LYS 11 2HB LYS 11 -1.088 9.783 2.178 74 HB3 LYS 11 1HB LYS 11 0.313 10.629 1.533 75 HG2 LYS 11 2HG LYS 11 -0.670 10.750 -0.632 76 HG3 LYS 11 1HG LYS 11 -2.007 9.701 -0.139 77 HD2 LYS 11 2HD LYS 11 -2.909 11.382 1.263 78 HD3 LYS 11 1HD LYS 11 -1.437 12.355 1.168 79 HE2 LYS 11 2HE LYS 11 -3.351 11.779 -1.093 80 HE3 LYS 11 1HE LYS 11 -3.198 13.306 -0.223 81 HZ1 LYS 11 3HZ LYS 11 -1.142 12.031 -1.951 82 HZ2 LYS 11 1HZ LYS 11 -0.871 13.413 -1.007 83 HZ3 LYS 11 2HZ LYS 11 -1.999 13.460 -2.268 84 H GLN 12 H GLN 12 -0.191 7.006 2.929 85 HA GLN 12 HA GLN 12 2.154 7.525 4.328 86 HB2 GLN 12 2HB GLN 12 -0.055 5.550 4.311 87 HB3 GLN 12 1HB GLN 12 1.387 5.132 5.179 88 HG2 GLN 12 2HG GLN 12 -0.431 7.452 5.644 89 HG3 GLN 12 1HG GLN 12 -0.107 6.100 6.725 90 HE21 GLN 12 1HE2 GLN 12 1.060 9.104 5.461 91 HE22 GLN 12 2HE2 GLN 12 2.332 9.330 6.609 92 H LEU 13 H LEU 13 1.311 5.194 1.860 93 HA LEU 13 HA LEU 13 3.719 3.686 2.352 94 HB2 LEU 13 2HB LEU 13 1.431 3.132 0.490 95 HB3 LEU 13 1HB LEU 13 2.733 2.043 0.898 96 HG LEU 13 HG LEU 13 0.718 3.136 2.796 97 HD11 LEU 13 1HD1 LEU 13 -0.106 0.830 2.940 98 HD12 LEU 13 2HD1 LEU 13 1.054 0.347 1.703 99 HD13 LEU 13 3HD1 LEU 13 -0.244 1.473 1.305 100 HD21 LEU 13 3HD2 LEU 13 1.682 1.565 4.424 101 HD22 LEU 13 1HD2 LEU 13 2.826 2.805 3.912 102 HD23 LEU 13 2HD2 LEU 13 2.947 1.171 3.260 103 H MET 14 H MET 14 2.090 5.557 -0.207 104 HA MET 14 HA MET 14 4.240 5.512 -1.982 105 HB2 MET 14 2HB MET 14 1.995 7.364 -1.356 106 HB3 MET 14 1HB MET 14 3.163 7.727 -2.621 107 HG2 MET 14 2HG MET 14 1.134 6.681 -3.407 108 HG3 MET 14 1HG MET 14 2.560 5.785 -3.797 109 HE1 MET 14 3HE MET 14 3.245 3.798 -1.709 110 HE2 MET 14 1HE MET 14 2.803 3.249 -3.325 111 HE3 MET 14 2HE MET 14 2.094 2.474 -1.906 112 H ASP 15 H ASP 15 3.663 7.161 0.976 113 HA ASP 15 HA ASP 15 5.625 9.162 0.905 114 HB2 ASP 15 2HB ASP 15 3.985 9.115 2.661 115 HB3 ASP 15 1HB ASP 15 4.542 7.541 3.218 116 H LEU 16 H LEU 16 5.851 5.659 1.652 117 HA LEU 16 HA LEU 16 8.429 5.471 2.486 118 HB2 LEU 16 2HB LEU 16 6.382 3.994 0.985 119 HB3 LEU 16 1HB LEU 16 7.981 3.346 0.980 120 HG LEU 16 HG LEU 16 7.945 2.956 3.231 121 HD11 LEU 16 1HD1 LEU 16 7.106 5.048 4.061 122 HD12 LEU 16 2HD1 LEU 16 6.193 3.715 4.774 123 HD13 LEU 16 3HD1 LEU 16 5.503 4.653 3.448 124 HD21 LEU 16 3HD2 LEU 16 5.913 1.632 3.607 125 HD22 LEU 16 1HD2 LEU 16 6.618 1.370 2.011 126 HD23 LEU 16 2HD2 LEU 16 5.206 2.412 2.191 127 H GLY 17 H GLY 17 7.217 6.472 -0.546 128 HA2 GLY 17 2HA GLY 17 8.749 7.521 -2.140 129 HA3 GLY 17 1HA GLY 17 9.876 6.206 -1.810 130 H PHE 18 H PHE 18 6.865 4.991 -1.738 131 HA PHE 18 HA PHE 18 7.274 3.577 -4.211 132 HB2 PHE 18 2HB PHE 18 5.410 3.280 -1.878 133 HB3 PHE 18 1HB PHE 18 5.433 2.162 -3.213 134 HD1 PHE 18 2HD PHE 18 8.169 1.799 -3.896 135 HD2 PHE 18 1HD PHE 18 6.325 2.343 -0.148 136 HE1 PHE 18 2HE PHE 18 10.050 0.644 -2.786 137 HE2 PHE 18 1HE PHE 18 8.107 1.261 0.913 138 HZ PHE 18 HZ PHE 18 9.978 0.411 -0.333 139 HA PRO 19 HA PRO 19 4.007 5.639 -6.459 140 HB2 PRO 19 2HB PRO 19 3.447 3.861 -8.307 141 HB3 PRO 19 1HB PRO 19 5.090 4.495 -8.202 142 HG2 PRO 19 2HG PRO 19 4.027 1.973 -7.022 143 HG3 PRO 19 1HG PRO 19 5.377 2.223 -8.130 144 HD2 PRO 19 2HD PRO 19 5.777 2.084 -5.463 145 HD3 PRO 19 1HD PRO 19 6.742 3.161 -6.492 146 H ARG 20 H ARG 20 1.784 5.339 -7.103 147 HA ARG 20 HA ARG 20 0.108 4.524 -5.007 148 HB2 ARG 20 2HB ARG 20 -0.653 6.187 -6.518 149 HB3 ARG 20 1HB ARG 20 -0.366 5.164 -7.907 150 HG2 ARG 20 2HG ARG 20 -2.164 3.721 -7.280 151 HG3 ARG 20 1HG ARG 20 -2.427 4.658 -5.816 152 HD2 ARG 20 2HD ARG 20 -2.954 6.617 -7.157 153 HD3 ARG 20 1HD ARG 20 -2.680 5.688 -8.627 154 HE ARG 20 HE ARG 20 -4.602 4.322 -7.166 155 HH11 ARG 20 1HH1 ARG 20 -4.256 7.451 -8.714 156 HH12 ARG 20 2HH1 ARG 20 -5.951 7.584 -9.090 157 HH21 ARG 20 1HH2 ARG 20 -6.811 4.507 -7.609 158 HH22 ARG 20 2HH2 ARG 20 -7.422 5.904 -8.445 159 H ASP 21 H ASP 21 0.998 3.077 -8.025 160 HA ASP 21 HA ASP 21 -0.560 0.783 -8.076 161 HB2 ASP 21 2HB ASP 21 0.842 1.450 -9.946 162 HB3 ASP 21 1HB ASP 21 2.295 1.171 -8.994 163 H ALA 22 H ALA 22 2.191 1.539 -6.084 164 HA ALA 22 HA ALA 22 2.742 -1.154 -5.290 165 HB1 ALA 22 1HB ALA 22 4.480 0.566 -5.236 166 HB2 ALA 22 2HB ALA 22 4.249 -0.183 -3.657 167 HB3 ALA 22 3HB ALA 22 3.591 1.422 -3.975 168 H VAL 23 H VAL 23 0.643 1.435 -4.064 169 HA VAL 23 HA VAL 23 0.102 0.215 -1.568 170 HB VAL 23 HB VAL 23 -0.621 2.611 -2.705 171 HG11 VAL 23 1HG1 VAL 23 -3.072 0.907 -2.494 172 HG12 VAL 23 2HG1 VAL 23 -2.413 1.649 -3.954 173 HG13 VAL 23 3HG1 VAL 23 -3.076 2.666 -2.665 174 HG21 VAL 23 3HG2 VAL 23 -1.832 3.029 -0.661 175 HG22 VAL 23 1HG2 VAL 23 -0.349 2.132 -0.331 176 HG23 VAL 23 2HG2 VAL 23 -1.915 1.298 -0.336 177 H VAL 24 H VAL 24 -1.417 0.188 -4.676 178 HA VAL 24 HA VAL 24 -3.449 -1.552 -3.932 179 HB VAL 24 HB VAL 24 -2.320 -0.745 -6.586 180 HG11 VAL 24 1HG1 VAL 24 -4.204 -1.940 -7.664 181 HG12 VAL 24 2HG1 VAL 24 -4.629 -2.649 -6.103 182 HG13 VAL 24 3HG1 VAL 24 -3.092 -3.055 -6.868 183 HG21 VAL 24 3HG2 VAL 24 -4.626 0.251 -6.754 184 HG22 VAL 24 1HG2 VAL 24 -3.613 0.913 -5.469 185 HG23 VAL 24 2HG2 VAL 24 -4.881 -0.249 -5.078 186 H LYS 25 H LYS 25 -0.342 -2.353 -5.555 187 HA LYS 25 HA LYS 25 -0.860 -5.100 -5.773 188 HB2 LYS 25 2HB LYS 25 1.644 -3.478 -5.492 189 HB3 LYS 25 1HB LYS 25 1.728 -5.233 -5.452 190 HG2 LYS 25 2HG LYS 25 0.867 -5.406 -7.653 191 HG3 LYS 25 1HG LYS 25 0.461 -3.686 -7.691 192 HD2 LYS 25 2HD LYS 25 2.718 -3.047 -7.742 193 HD3 LYS 25 1HD LYS 25 3.275 -4.659 -7.286 194 HE2 LYS 25 2HE LYS 25 3.692 -4.261 -9.644 195 HE3 LYS 25 1HE LYS 25 2.487 -5.531 -9.441 196 HZ1 LYS 25 3HZ LYS 25 1.919 -2.687 -10.096 197 HZ2 LYS 25 1HZ LYS 25 0.756 -3.911 -9.916 198 HZ3 LYS 25 2HZ LYS 25 1.875 -3.985 -11.190 199 H ALA 26 H ALA 26 0.252 -3.132 -3.098 200 HA ALA 26 HA ALA 26 1.156 -5.467 -1.633 201 HB1 ALA 26 1HB ALA 26 2.434 -3.368 -1.535 202 HB2 ALA 26 2HB ALA 26 1.907 -3.906 0.060 203 HB3 ALA 26 3HB ALA 26 1.061 -2.586 -0.753 204 H LEU 27 H LEU 27 -1.338 -3.022 -1.368 205 HA LEU 27 HA LEU 27 -2.381 -4.112 1.035 206 HB2 LEU 27 2HB LEU 27 -3.489 -2.203 -0.996 207 HB3 LEU 27 1HB LEU 27 -4.319 -2.614 0.480 208 HG LEU 27 HG LEU 27 -3.017 -0.415 0.284 209 HD11 LEU 27 1HD1 LEU 27 -2.541 -2.230 2.612 210 HD12 LEU 27 2HD1 LEU 27 -3.986 -1.257 2.348 211 HD13 LEU 27 3HD1 LEU 27 -2.433 -0.471 2.642 212 HD21 LEU 27 3HD2 LEU 27 -1.002 -1.314 -0.579 213 HD22 LEU 27 1HD2 LEU 27 -0.781 -2.245 0.896 214 HD23 LEU 27 2HD2 LEU 27 -0.728 -0.479 0.955 215 H LYS 28 H LYS 28 -2.748 -4.662 -2.380 216 HA LYS 28 HA LYS 28 -5.074 -6.149 -2.403 217 HB2 LYS 28 2HB LYS 28 -2.688 -6.058 -4.100 218 HB3 LYS 28 1HB LYS 28 -3.606 -7.558 -4.168 219 HG2 LYS 28 2HG LYS 28 -5.540 -6.471 -4.923 220 HG3 LYS 28 1HG LYS 28 -4.918 -4.873 -4.477 221 HD2 LYS 28 2HD LYS 28 -4.718 -5.091 -6.845 222 HD3 LYS 28 1HD LYS 28 -3.108 -5.216 -6.131 223 HE2 LYS 28 2HE LYS 28 -3.346 -6.892 -7.856 224 HE3 LYS 28 1HE LYS 28 -3.266 -7.678 -6.280 225 HZ1 LYS 28 3HZ LYS 28 -4.991 -8.681 -7.587 226 HZ2 LYS 28 1HZ LYS 28 -5.714 -7.173 -7.884 227 HZ3 LYS 28 2HZ LYS 28 -5.714 -7.817 -6.315 228 H GLN 29 H GLN 29 -1.670 -7.412 -1.811 229 HA GLN 29 HA GLN 29 -2.882 -10.004 -1.406 230 HB2 GLN 29 2HB GLN 29 -0.702 -10.749 -0.990 231 HB3 GLN 29 1HB GLN 29 -0.650 -9.657 -2.322 232 HG2 GLN 29 2HG GLN 29 -0.180 -8.235 0.052 233 HG3 GLN 29 1HG GLN 29 0.882 -9.638 -0.020 234 HE21 GLN 29 1HE2 GLN 29 1.439 -6.803 -0.307 235 HE22 GLN 29 2HE2 GLN 29 2.145 -6.609 -1.860 236 H THR 30 H THR 30 -1.864 -7.411 0.617 237 HA THR 30 HA THR 30 -2.200 -8.869 3.078 238 HB THR 30 HB THR 30 -1.843 -6.633 4.107 239 HG1 THR 30 1HG THR 30 -1.218 -5.669 1.538 240 HG21 THR 30 3HG2 THR 30 0.506 -6.446 3.436 241 HG22 THR 30 1HG2 THR 30 0.176 -7.432 2.011 242 HG23 THR 30 2HG2 THR 30 0.043 -8.138 3.624 243 H ASN 31 H ASN 31 -4.261 -7.488 0.920 244 HA ASN 31 HA ASN 31 -6.381 -6.753 0.861 245 HB2 ASN 31 2HB ASN 31 -6.615 -8.146 3.542 246 HB3 ASN 31 1HB ASN 31 -7.963 -7.625 2.540 247 HD21 ASN 31 1HD2 ASN 31 -6.847 -8.441 0.021 248 HD22 ASN 31 2HD2 ASN 31 -6.842 -10.167 0.006 249 H GLY 32 H GLY 32 -4.796 -4.705 1.438 250 HA2 GLY 32 2HA GLY 32 -5.320 -2.557 1.883 251 HA3 GLY 32 1HA GLY 32 -6.785 -3.091 2.685 252 H ASN 33 H ASN 33 -4.279 -4.688 4.387 253 HA ASN 33 HA ASN 33 -4.398 -2.526 6.276 254 HB2 ASN 33 2HB ASN 33 -3.831 -4.013 7.962 255 HB3 ASN 33 1HB ASN 33 -4.948 -4.856 6.935 256 HD21 ASN 33 1HD2 ASN 33 -2.711 -5.348 5.011 257 HD22 ASN 33 2HD2 ASN 33 -1.881 -6.701 5.699 258 H ALA 34 H ALA 34 -2.944 -1.074 6.529 259 HA ALA 34 HA ALA 34 -1.130 -0.803 4.452 260 HB1 ALA 34 1HB ALA 34 -0.549 1.327 5.404 261 HB2 ALA 34 2HB ALA 34 -1.252 0.855 6.950 262 HB3 ALA 34 3HB ALA 34 -2.288 1.065 5.538 263 H GLU 35 H GLU 35 -0.356 -1.450 7.880 264 HA GLU 35 HA GLU 35 2.250 -1.013 7.694 265 HB2 GLU 35 2HB GLU 35 0.309 -2.135 9.433 266 HB3 GLU 35 1HB GLU 35 1.851 -2.883 9.591 267 HG2 GLU 35 2HG GLU 35 1.882 -1.207 11.119 268 HG3 GLU 35 1HG GLU 35 2.792 -0.589 9.769 269 H PHE 36 H PHE 36 0.445 -3.838 7.477 270 HA PHE 36 HA PHE 36 2.477 -5.685 6.945 271 HB2 PHE 36 2HB PHE 36 -0.485 -5.563 6.713 272 HB3 PHE 36 1HB PHE 36 0.323 -6.894 5.912 273 HD1 PHE 36 1HD PHE 36 0.593 -5.044 9.089 274 HD2 PHE 36 2HD PHE 36 0.426 -8.854 7.223 275 HE1 PHE 36 1HE PHE 36 0.780 -6.052 11.215 276 HE2 PHE 36 2HE PHE 36 0.610 -9.928 9.438 277 HZ PHE 36 HZ PHE 36 0.790 -8.526 11.464 278 H ALA 37 H ALA 37 0.529 -3.615 4.925 279 HA ALA 37 HA ALA 37 1.120 -4.942 2.494 280 HB1 ALA 37 1HB ALA 37 0.179 -2.152 3.052 281 HB2 ALA 37 2HB ALA 37 -0.843 -3.572 2.824 282 HB3 ALA 37 3HB ALA 37 0.135 -2.964 1.488 283 H ALA 38 H ALA 38 2.387 -2.063 4.076 284 HA ALA 38 HA ALA 38 4.239 -1.285 2.160 285 HB1 ALA 38 1HB ALA 38 3.629 0.110 4.065 286 HB2 ALA 38 2HB ALA 38 5.375 -0.120 3.979 287 HB3 ALA 38 3HB ALA 38 4.422 -1.025 5.155 288 H SER 39 H SER 39 4.445 -3.645 4.754 289 HA SER 39 HA SER 39 7.299 -3.882 4.575 290 HB2 SER 39 2HB SER 39 5.266 -5.598 6.030 291 HB3 SER 39 1HB SER 39 7.014 -5.622 6.287 292 HG SER 39 HG SER 39 5.210 -3.485 6.816 293 H LEU 40 H LEU 40 4.479 -5.183 3.234 294 HA LEU 40 HA LEU 40 5.693 -7.549 2.177 295 HB2 LEU 40 2HB LEU 40 3.232 -6.991 2.882 296 HB3 LEU 40 1HB LEU 40 3.132 -6.360 1.268 297 HG LEU 40 HG LEU 40 2.261 -8.577 1.186 298 HD11 LEU 40 1HD1 LEU 40 3.780 -9.806 -0.261 299 HD12 LEU 40 2HD1 LEU 40 5.113 -8.761 0.228 300 HD13 LEU 40 3HD1 LEU 40 3.760 -8.093 -0.686 301 HD21 LEU 40 3HD2 LEU 40 3.101 -9.337 3.325 302 HD22 LEU 40 1HD2 LEU 40 4.734 -9.445 2.669 303 HD23 LEU 40 2HD2 LEU 40 3.469 -10.517 2.067 304 H LEU 41 H LEU 41 4.716 -4.263 1.074 305 HA LEU 41 HA LEU 41 5.249 -4.873 -1.637 306 HB2 LEU 41 2HB LEU 41 4.692 -2.687 -2.129 307 HB3 LEU 41 1HB LEU 41 3.691 -3.136 -0.767 308 HG LEU 41 HG LEU 41 5.350 -1.912 0.683 309 HD11 LEU 41 1HD1 LEU 41 6.717 -0.270 -0.402 310 HD12 LEU 41 2HD1 LEU 41 6.219 -0.900 -1.976 311 HD13 LEU 41 3HD1 LEU 41 7.140 -1.917 -0.867 312 HD21 LEU 41 3HD2 LEU 41 4.380 0.263 0.128 313 HD22 LEU 41 1HD2 LEU 41 3.180 -1.031 0.160 314 HD23 LEU 41 2HD2 LEU 41 3.774 -0.418 -1.385 315 H PHE 42 H PHE 42 7.058 -3.847 1.040 316 HA PHE 42 HA PHE 42 9.294 -2.697 0.030 317 HB2 PHE 42 2HB PHE 42 8.553 -4.088 2.438 318 HB3 PHE 42 1HB PHE 42 10.238 -4.384 2.025 319 HD1 PHE 42 1HD PHE 42 7.707 -1.880 2.270 320 HD2 PHE 42 2HD PHE 42 11.831 -2.710 2.596 321 HE1 PHE 42 1HE PHE 42 8.088 0.377 3.014 322 HE2 PHE 42 2HE PHE 42 12.252 -0.412 3.400 323 HZ PHE 42 HZ PHE 42 10.355 1.160 3.615 324 H GLN 43 H GLN 43 8.221 -5.991 -0.273 325 HA GLN 43 HA GLN 43 9.089 -7.935 -0.795 326 HB2 GLN 43 2HB GLN 43 9.533 -5.886 -2.748 327 HB3 GLN 43 1HB GLN 43 10.715 -7.153 -2.862 328 HG2 GLN 43 2HG GLN 43 8.685 -7.487 -4.272 329 HG3 GLN 43 1HG GLN 43 9.100 -8.790 -3.175 330 HE21 GLN 43 1HE2 GLN 43 6.949 -6.027 -3.509 331 HE22 GLN 43 2HE2 GLN 43 5.666 -6.698 -2.555 332 H SER 44 H SER 44 10.307 -6.859 1.320 333 HA SER 44 HA SER 44 12.106 -6.930 2.687 334 HB2 SER 44 2HB SER 44 12.700 -9.176 0.784 335 HB3 SER 44 1HB SER 44 13.611 -8.915 2.273 336 HG SER 44 HG SER 44 11.581 -9.111 3.400 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -10.322 -4.641 4.806 2 H2 GLY 1 2HT GLY 1 -11.357 -5.955 4.517 3 H3 GLY 1 3HT GLY 1 -10.981 -5.508 6.108 4 HA2 GLY 1 1HA GLY 1 -13.202 -4.779 5.509 5 HA3 GLY 1 2HA GLY 1 -12.136 -3.422 5.848 6 H SER 2 H SER 2 -13.204 -1.936 4.604 7 HA SER 2 HA SER 2 -13.359 -2.499 1.724 8 HB2 SER 2 2HB SER 2 -14.908 -0.491 1.713 9 HB3 SER 2 1HB SER 2 -15.508 -1.907 2.576 10 HG SER 2 HG SER 2 -14.871 0.594 3.513 11 H ALA 3 H ALA 3 -11.658 -0.786 4.087 12 HA ALA 3 HA ALA 3 -10.640 1.207 2.208 13 HB1 ALA 3 1HB ALA 3 -11.136 1.949 4.480 14 HB2 ALA 3 2HB ALA 3 -9.415 2.104 4.131 15 HB3 ALA 3 3HB ALA 3 -9.996 0.768 5.126 16 H THR 4 H THR 4 -9.655 -0.309 0.787 17 HA THR 4 HA THR 4 -7.484 -1.886 1.795 18 HB THR 4 HB THR 4 -7.334 -2.525 -0.711 19 HG1 THR 4 1HG THR 4 -10.063 -2.057 -0.810 20 HG21 THR 4 3HG2 THR 4 -9.683 -3.374 0.985 21 HG22 THR 4 1HG2 THR 4 -8.053 -4.037 1.095 22 HG23 THR 4 2HG2 THR 4 -9.000 -4.266 -0.374 23 H PHE 5 H PHE 5 -7.906 0.241 -0.706 24 HA PHE 5 HA PHE 5 -5.100 1.063 -0.736 25 HB2 PHE 5 2HB PHE 5 -7.125 1.231 -2.815 26 HB3 PHE 5 1HB PHE 5 -5.387 1.232 -3.078 27 HD1 PHE 5 1HD PHE 5 -4.607 -0.971 -1.489 28 HD2 PHE 5 2HD PHE 5 -7.977 -0.629 -4.010 29 HE1 PHE 5 1HE PHE 5 -4.658 -3.252 -1.693 30 HE2 PHE 5 2HE PHE 5 -8.022 -3.105 -4.200 31 HZ PHE 5 HZ PHE 5 -6.290 -4.400 -2.952 32 HA PRO 6 HA PRO 6 -8.123 4.879 -0.382 33 HB2 PRO 6 2HB PRO 6 -7.736 5.489 2.227 34 HB3 PRO 6 1HB PRO 6 -9.021 4.456 1.633 35 HG2 PRO 6 2HG PRO 6 -6.464 3.686 2.780 36 HG3 PRO 6 1HG PRO 6 -8.083 3.058 3.072 37 HD2 PRO 6 2HD PRO 6 -6.387 1.802 1.429 38 HD3 PRO 6 1HD PRO 6 -8.097 1.818 1.091 39 H GLU 7 H GLU 7 -7.431 7.002 -0.330 40 HA GLU 7 HA GLU 7 -4.867 7.324 -1.272 41 HB2 GLU 7 2HB GLU 7 -5.371 9.784 -1.122 42 HB3 GLU 7 1HB GLU 7 -6.482 8.811 -2.069 43 HG2 GLU 7 2HG GLU 7 -7.992 9.993 -0.891 44 HG3 GLU 7 1HG GLU 7 -7.709 8.677 0.245 45 H GLN 8 H GLN 8 -6.069 7.725 1.986 46 HA GLN 8 HA GLN 8 -3.933 9.049 3.155 47 HB2 GLN 8 2HB GLN 8 -4.851 6.739 4.704 48 HB3 GLN 8 1HB GLN 8 -4.868 8.441 5.129 49 HG2 GLN 8 2HG GLN 8 -6.868 8.654 3.634 50 HG3 GLN 8 1HG GLN 8 -6.894 6.903 3.542 51 HE21 GLN 8 1HE2 GLN 8 -5.982 6.606 6.315 52 HE22 GLN 8 2HE2 GLN 8 -7.349 6.965 7.306 53 H THR 9 H THR 9 -4.370 5.533 3.001 54 HA THR 9 HA THR 9 -1.843 4.906 3.910 55 HB THR 9 HB THR 9 -2.389 2.634 3.149 56 HG1 THR 9 1HG THR 9 -4.201 2.240 2.020 57 HG21 THR 9 3HG2 THR 9 -3.075 3.397 5.354 58 HG22 THR 9 1HG2 THR 9 -4.272 2.298 4.670 59 HG23 THR 9 2HG2 THR 9 -4.565 4.037 4.662 60 H ILE 10 H ILE 10 -3.179 5.370 0.823 61 HA ILE 10 HA ILE 10 -1.205 4.435 -0.847 62 HB ILE 10 HB ILE 10 -3.016 6.806 -1.081 63 HG12 ILE 10 2HG1 ILE 10 -2.957 4.123 -2.467 64 HG13 ILE 10 1HG1 ILE 10 -4.021 4.565 -1.137 65 HG21 ILE 10 1HG2 ILE 10 -1.016 7.273 -2.366 66 HG22 ILE 10 2HG2 ILE 10 -2.384 6.944 -3.426 67 HG23 ILE 10 3HG2 ILE 10 -1.152 5.709 -3.168 68 HD11 ILE 10 3HD1 ILE 10 -3.965 5.874 -3.826 69 HD12 ILE 10 1HD1 ILE 10 -5.051 6.258 -2.492 70 HD13 ILE 10 2HD1 ILE 10 -5.144 4.681 -3.278 71 H LYS 11 H LYS 11 -1.600 7.635 0.530 72 HA LYS 11 HA LYS 11 0.850 8.610 -0.371 73 HB2 LYS 11 2HB LYS 11 -0.932 9.585 1.830 74 HB3 LYS 11 1HB LYS 11 0.412 10.493 1.152 75 HG2 LYS 11 2HG LYS 11 -0.646 10.731 -0.919 76 HG3 LYS 11 1HG LYS 11 -1.817 9.449 -0.557 77 HD2 LYS 11 2HD LYS 11 -2.883 10.855 1.100 78 HD3 LYS 11 1HD LYS 11 -1.652 12.101 0.892 79 HE2 LYS 11 2HE LYS 11 -2.378 12.473 -1.391 80 HE3 LYS 11 1HE LYS 11 -3.554 11.166 -1.253 81 HZ1 LYS 11 3HZ LYS 11 -3.584 13.599 0.449 82 HZ2 LYS 11 1HZ LYS 11 -4.782 12.400 0.351 83 HZ3 LYS 11 2HZ LYS 11 -4.497 13.426 -0.967 84 H GLN 12 H GLN 12 -0.033 6.870 2.582 85 HA GLN 12 HA GLN 12 2.293 7.336 3.988 86 HB2 GLN 12 2HB GLN 12 0.041 5.482 3.913 87 HB3 GLN 12 1HB GLN 12 1.500 4.804 4.578 88 HG2 GLN 12 2HG GLN 12 0.378 5.676 6.391 89 HG3 GLN 12 1HG GLN 12 1.608 6.868 6.008 90 HE21 GLN 12 1HE2 GLN 12 1.023 8.841 5.152 91 HE22 GLN 12 2HE2 GLN 12 -0.610 9.400 5.177 92 H LEU 13 H LEU 13 1.579 5.093 1.370 93 HA LEU 13 HA LEU 13 4.105 3.770 1.721 94 HB2 LEU 13 2HB LEU 13 1.911 3.305 -0.273 95 HB3 LEU 13 1HB LEU 13 3.298 2.278 0.006 96 HG LEU 13 HG LEU 13 1.150 2.914 1.969 97 HD11 LEU 13 1HD1 LEU 13 0.606 0.539 1.870 98 HD12 LEU 13 2HD1 LEU 13 1.878 0.298 0.665 99 HD13 LEU 13 3HD1 LEU 13 0.470 1.285 0.274 100 HD21 LEU 13 3HD2 LEU 13 3.622 1.236 2.308 101 HD22 LEU 13 1HD2 LEU 13 2.280 1.298 3.453 102 HD23 LEU 13 2HD2 LEU 13 3.238 2.746 3.136 103 H MET 14 H MET 14 2.426 5.747 -0.701 104 HA MET 14 HA MET 14 4.444 6.385 -2.398 105 HB2 MET 14 2HB MET 14 2.562 8.306 -1.040 106 HB3 MET 14 1HB MET 14 3.439 8.556 -2.538 107 HG2 MET 14 2HG MET 14 2.030 6.208 -2.910 108 HG3 MET 14 1HG MET 14 0.922 7.282 -2.089 109 HE1 MET 14 3HE MET 14 3.472 6.846 -4.292 110 HE2 MET 14 1HE MET 14 3.610 8.344 -5.240 111 HE3 MET 14 2HE MET 14 2.724 6.961 -5.905 112 H ASP 15 H ASP 15 3.966 7.230 0.900 113 HA ASP 15 HA ASP 15 5.812 9.305 1.216 114 HB2 ASP 15 2HB ASP 15 4.036 8.944 2.776 115 HB3 ASP 15 1HB ASP 15 4.630 7.336 3.166 116 H LEU 16 H LEU 16 6.231 5.714 1.707 117 HA LEU 16 HA LEU 16 8.851 5.834 2.563 118 HB2 LEU 16 2HB LEU 16 7.122 3.984 1.058 119 HB3 LEU 16 1HB LEU 16 8.788 3.626 1.278 120 HG LEU 16 HG LEU 16 7.812 2.541 2.946 121 HD11 LEU 16 1HD1 LEU 16 8.429 3.604 5.029 122 HD12 LEU 16 2HD1 LEU 16 8.485 5.159 4.197 123 HD13 LEU 16 3HD1 LEU 16 9.647 3.899 3.785 124 HD21 LEU 16 3HD2 LEU 16 5.609 3.390 2.652 125 HD22 LEU 16 1HD2 LEU 16 6.071 4.876 3.473 126 HD23 LEU 16 2HD2 LEU 16 6.039 3.352 4.362 127 H GLY 17 H GLY 17 7.419 6.441 -0.480 128 HA2 GLY 17 2HA GLY 17 8.826 7.763 -2.060 129 HA3 GLY 17 1HA GLY 17 10.055 6.527 -1.811 130 H PHE 18 H PHE 18 6.899 5.357 -1.774 131 HA PHE 18 HA PHE 18 7.441 3.919 -4.237 132 HB2 PHE 18 2HB PHE 18 5.527 3.496 -1.974 133 HB3 PHE 18 1HB PHE 18 5.650 2.409 -3.333 134 HD1 PHE 18 2HD PHE 18 8.463 2.180 -3.879 135 HD2 PHE 18 1HD PHE 18 6.358 2.588 -0.294 136 HE1 PHE 18 2HE PHE 18 10.333 1.120 -2.658 137 HE2 PHE 18 1HE PHE 18 8.124 1.604 0.915 138 HZ PHE 18 HZ PHE 18 10.119 0.858 -0.217 139 HA PRO 19 HA PRO 19 4.038 5.677 -6.477 140 HB2 PRO 19 2HB PRO 19 3.304 3.664 -8.009 141 HB3 PRO 19 1HB PRO 19 4.946 4.295 -8.119 142 HG2 PRO 19 2HG PRO 19 3.986 1.946 -6.561 143 HG3 PRO 19 1HG PRO 19 5.275 2.065 -7.762 144 HD2 PRO 19 2HD PRO 19 5.802 2.256 -5.106 145 HD3 PRO 19 1HD PRO 19 6.716 3.173 -6.330 146 H ARG 20 H ARG 20 1.828 5.431 -6.965 147 HA ARG 20 HA ARG 20 0.081 4.722 -4.870 148 HB2 ARG 20 2HB ARG 20 -0.646 6.338 -6.445 149 HB3 ARG 20 1HB ARG 20 -0.266 5.305 -7.801 150 HG2 ARG 20 2HG ARG 20 -2.090 3.832 -7.220 151 HG3 ARG 20 1HG ARG 20 -2.470 4.858 -5.844 152 HD2 ARG 20 2HD ARG 20 -2.925 6.722 -7.339 153 HD3 ARG 20 1HD ARG 20 -2.491 5.728 -8.724 154 HE ARG 20 HE ARG 20 -4.634 4.634 -7.150 155 HH11 ARG 20 1HH1 ARG 20 -3.790 6.841 -9.731 156 HH12 ARG 20 2HH1 ARG 20 -5.353 6.752 -10.494 157 HH21 ARG 20 1HH2 ARG 20 -6.700 4.536 -8.113 158 HH22 ARG 20 2HH2 ARG 20 -7.022 5.470 -9.551 159 H ASP 21 H ASP 21 1.050 3.207 -7.830 160 HA ASP 21 HA ASP 21 -0.437 0.863 -7.765 161 HB2 ASP 21 2HB ASP 21 2.404 1.210 -8.749 162 HB3 ASP 21 1HB ASP 21 1.311 -0.099 -9.189 163 H ALA 22 H ALA 22 2.301 1.830 -5.821 164 HA ALA 22 HA ALA 22 3.016 -0.830 -5.016 165 HB1 ALA 22 1HB ALA 22 4.364 0.236 -3.286 166 HB2 ALA 22 2HB ALA 22 3.631 1.794 -3.667 167 HB3 ALA 22 3HB ALA 22 4.641 0.978 -4.861 168 H VAL 23 H VAL 23 0.768 1.618 -3.873 169 HA VAL 23 HA VAL 23 0.119 0.350 -1.434 170 HB VAL 23 HB VAL 23 -0.639 2.719 -2.654 171 HG11 VAL 23 1HG1 VAL 23 -3.038 0.945 -2.425 172 HG12 VAL 23 2HG1 VAL 23 -2.373 1.651 -3.901 173 HG13 VAL 23 3HG1 VAL 23 -3.083 2.694 -2.662 174 HG21 VAL 23 3HG2 VAL 23 -0.532 2.878 -0.411 175 HG22 VAL 23 1HG2 VAL 23 -1.316 1.304 -0.165 176 HG23 VAL 23 2HG2 VAL 23 -2.296 2.704 -0.592 177 H VAL 24 H VAL 24 -1.269 0.303 -4.623 178 HA VAL 24 HA VAL 24 -3.270 -1.507 -3.978 179 HB VAL 24 HB VAL 24 -2.010 -0.697 -6.564 180 HG11 VAL 24 1HG1 VAL 24 -3.829 -1.952 -7.719 181 HG12 VAL 24 2HG1 VAL 24 -4.278 -2.671 -6.168 182 HG13 VAL 24 3HG1 VAL 24 -2.701 -3.021 -6.878 183 HG21 VAL 24 3HG2 VAL 24 -4.298 0.265 -6.877 184 HG22 VAL 24 1HG2 VAL 24 -3.414 0.922 -5.498 185 HG23 VAL 24 2HG2 VAL 24 -4.686 -0.274 -5.238 186 H LYS 25 H LYS 25 -0.069 -2.220 -5.436 187 HA LYS 25 HA LYS 25 -0.603 -4.965 -5.728 188 HB2 LYS 25 2HB LYS 25 1.994 -3.473 -5.381 189 HB3 LYS 25 1HB LYS 25 1.902 -5.194 -5.731 190 HG2 LYS 25 2HG LYS 25 0.812 -4.758 -7.833 191 HG3 LYS 25 1HG LYS 25 0.743 -3.030 -7.469 192 HD2 LYS 25 2HD LYS 25 3.133 -2.886 -7.480 193 HD3 LYS 25 1HD LYS 25 3.285 -4.631 -7.706 194 HE2 LYS 25 2HE LYS 25 1.937 -4.281 -9.852 195 HE3 LYS 25 1HE LYS 25 2.281 -2.564 -9.642 196 HZ1 LYS 25 3HZ LYS 25 3.934 -3.464 -11.063 197 HZ2 LYS 25 1HZ LYS 25 4.239 -4.760 -10.012 198 HZ3 LYS 25 2HZ LYS 25 4.679 -3.187 -9.564 199 H ALA 26 H ALA 26 0.538 -3.057 -2.996 200 HA ALA 26 HA ALA 26 1.397 -5.415 -1.556 201 HB1 ALA 26 1HB ALA 26 2.004 -3.843 0.203 202 HB2 ALA 26 2HB ALA 26 1.222 -2.536 -0.686 203 HB3 ALA 26 3HB ALA 26 2.649 -3.328 -1.355 204 H LEU 27 H LEU 27 -1.196 -3.039 -1.461 205 HA LEU 27 HA LEU 27 -2.324 -4.095 0.926 206 HB2 LEU 27 2HB LEU 27 -3.314 -2.166 -1.144 207 HB3 LEU 27 1HB LEU 27 -4.243 -2.594 0.270 208 HG LEU 27 HG LEU 27 -2.890 -0.413 0.238 209 HD11 LEU 27 1HD1 LEU 27 -3.982 -1.358 2.210 210 HD12 LEU 27 2HD1 LEU 27 -2.456 -0.566 2.610 211 HD13 LEU 27 3HD1 LEU 27 -2.542 -2.326 2.507 212 HD21 LEU 27 3HD2 LEU 27 -0.731 -2.307 0.934 213 HD22 LEU 27 1HD2 LEU 27 -0.645 -0.545 0.982 214 HD23 LEU 27 2HD2 LEU 27 -0.854 -1.382 -0.560 215 H LYS 28 H LYS 28 -2.800 -4.575 -2.539 216 HA LYS 28 HA LYS 28 -4.945 -6.319 -2.345 217 HB2 LYS 28 2HB LYS 28 -2.653 -6.206 -4.238 218 HB3 LYS 28 1HB LYS 28 -3.796 -7.499 -4.368 219 HG2 LYS 28 2HG LYS 28 -4.446 -4.564 -4.537 220 HG3 LYS 28 1HG LYS 28 -4.211 -5.645 -5.928 221 HD2 LYS 28 2HD LYS 28 -6.052 -6.275 -3.740 222 HD3 LYS 28 1HD LYS 28 -6.598 -5.255 -5.073 223 HE2 LYS 28 2HE LYS 28 -5.908 -7.104 -6.617 224 HE3 LYS 28 1HE LYS 28 -5.588 -8.102 -5.198 225 HZ1 LYS 28 3HZ LYS 28 -7.941 -7.791 -4.560 226 HZ2 LYS 28 1HZ LYS 28 -7.751 -8.607 -6.036 227 HZ3 LYS 28 2HZ LYS 28 -8.206 -6.976 -6.026 228 H GLN 29 H GLN 29 -1.438 -6.975 -1.894 229 HA GLN 29 HA GLN 29 -1.782 -9.750 -1.511 230 HB2 GLN 29 2HB GLN 29 0.377 -7.813 -0.759 231 HB3 GLN 29 1HB GLN 29 0.537 -9.535 -0.617 232 HG2 GLN 29 2HG GLN 29 0.309 -9.814 -2.953 233 HG3 GLN 29 1HG GLN 29 -0.096 -8.122 -3.170 234 HE21 GLN 29 1HE2 GLN 29 1.989 -7.096 -1.456 235 HE22 GLN 29 2HE2 GLN 29 3.448 -7.325 -2.302 236 H THR 30 H THR 30 -2.006 -6.988 0.618 237 HA THR 30 HA THR 30 -2.033 -8.683 2.993 238 HB THR 30 HB THR 30 -1.911 -6.494 4.161 239 HG1 THR 30 1HG THR 30 -1.201 -5.212 1.801 240 HG21 THR 30 3HG2 THR 30 0.195 -6.957 2.063 241 HG22 THR 30 1HG2 THR 30 0.116 -7.760 3.634 242 HG23 THR 30 2HG2 THR 30 0.404 -6.020 3.547 243 H ASN 31 H ASN 31 -4.132 -7.202 0.872 244 HA ASN 31 HA ASN 31 -6.314 -6.720 0.789 245 HB2 ASN 31 2HB ASN 31 -6.293 -8.414 3.251 246 HB3 ASN 31 1HB ASN 31 -7.753 -7.529 2.826 247 HD21 ASN 31 1HD2 ASN 31 -5.519 -8.786 0.455 248 HD22 ASN 31 2HD2 ASN 31 -6.572 -9.999 -0.177 249 H GLY 32 H GLY 32 -4.758 -4.642 1.416 250 HA2 GLY 32 2HA GLY 32 -5.315 -2.488 1.806 251 HA3 GLY 32 1HA GLY 32 -6.798 -3.022 2.570 252 H ASN 33 H ASN 33 -4.192 -4.489 4.314 253 HA ASN 33 HA ASN 33 -4.379 -2.282 6.163 254 HB2 ASN 33 2HB ASN 33 -3.817 -3.726 7.891 255 HB3 ASN 33 1HB ASN 33 -4.898 -4.618 6.863 256 HD21 ASN 33 1HD2 ASN 33 -2.592 -5.046 4.985 257 HD22 ASN 33 2HD2 ASN 33 -1.748 -6.374 5.697 258 H ALA 34 H ALA 34 -2.778 -0.973 6.786 259 HA ALA 34 HA ALA 34 -0.974 -0.568 4.628 260 HB1 ALA 34 1HB ALA 34 -1.246 1.076 7.122 261 HB2 ALA 34 2HB ALA 34 -2.290 1.209 5.707 262 HB3 ALA 34 3HB ALA 34 -0.570 1.585 5.575 263 H GLU 35 H GLU 35 -0.271 -1.492 8.013 264 HA GLU 35 HA GLU 35 2.385 -0.949 7.858 265 HB2 GLU 35 2HB GLU 35 0.598 -1.893 9.678 266 HB3 GLU 35 1HB GLU 35 1.745 -3.186 9.493 267 HG2 GLU 35 2HG GLU 35 2.623 -0.417 9.917 268 HG3 GLU 35 1HG GLU 35 2.076 -1.388 11.250 269 H PHE 36 H PHE 36 0.602 -3.748 7.488 270 HA PHE 36 HA PHE 36 2.606 -5.515 6.656 271 HB2 PHE 36 2HB PHE 36 -0.372 -5.383 6.479 272 HB3 PHE 36 1HB PHE 36 0.466 -6.639 5.595 273 HD1 PHE 36 1HD PHE 36 0.794 -5.053 8.916 274 HD2 PHE 36 2HD PHE 36 0.445 -8.682 6.741 275 HE1 PHE 36 1HE PHE 36 0.951 -6.248 10.950 276 HE2 PHE 36 2HE PHE 36 0.600 -9.945 8.857 277 HZ PHE 36 HZ PHE 36 0.857 -8.725 10.990 278 H ALA 37 H ALA 37 0.857 -2.999 5.116 279 HA ALA 37 HA ALA 37 0.981 -3.871 2.438 280 HB1 ALA 37 1HB ALA 37 0.450 -1.553 1.943 281 HB2 ALA 37 2HB ALA 37 0.830 -1.107 3.606 282 HB3 ALA 37 3HB ALA 37 -0.540 -2.165 3.265 283 H ALA 38 H ALA 38 2.885 -1.496 4.197 284 HA ALA 38 HA ALA 38 4.683 -0.872 2.195 285 HB1 ALA 38 1HB ALA 38 6.123 -0.008 3.957 286 HB2 ALA 38 2HB ALA 38 5.157 -0.846 5.168 287 HB3 ALA 38 3HB ALA 38 4.446 0.464 4.227 288 H SER 39 H SER 39 4.668 -3.465 4.588 289 HA SER 39 HA SER 39 7.389 -4.174 4.121 290 HB2 SER 39 2HB SER 39 5.158 -5.738 5.445 291 HB3 SER 39 1HB SER 39 6.887 -6.056 5.599 292 HG SER 39 HG SER 39 5.360 -3.924 6.649 293 H LEU 40 H LEU 40 4.279 -4.860 2.792 294 HA LEU 40 HA LEU 40 5.102 -7.250 1.448 295 HB2 LEU 40 2HB LEU 40 2.733 -5.941 2.286 296 HB3 LEU 40 1HB LEU 40 2.669 -6.110 0.587 297 HG LEU 40 HG LEU 40 1.563 -8.017 1.532 298 HD11 LEU 40 1HD1 LEU 40 4.317 -8.888 0.683 299 HD12 LEU 40 2HD1 LEU 40 2.974 -8.526 -0.402 300 HD13 LEU 40 3HD1 LEU 40 2.864 -9.887 0.712 301 HD21 LEU 40 3HD2 LEU 40 4.066 -8.470 3.152 302 HD22 LEU 40 1HD2 LEU 40 2.623 -9.484 3.149 303 HD23 LEU 40 2HD2 LEU 40 2.540 -7.834 3.769 304 H LEU 41 H LEU 41 4.625 -3.787 0.786 305 HA LEU 41 HA LEU 41 5.095 -4.246 -1.993 306 HB2 LEU 41 2HB LEU 41 4.984 -1.940 -2.287 307 HB3 LEU 41 1HB LEU 41 3.801 -2.366 -1.066 308 HG LEU 41 HG LEU 41 5.467 -1.617 0.641 309 HD11 LEU 41 1HD1 LEU 41 7.393 -1.777 -0.773 310 HD12 LEU 41 2HD1 LEU 41 7.217 -0.157 -0.090 311 HD13 LEU 41 3HD1 LEU 41 6.777 -0.464 -1.774 312 HD21 LEU 41 3HD2 LEU 41 3.536 -0.334 0.041 313 HD22 LEU 41 1HD2 LEU 41 4.378 0.334 -1.355 314 HD23 LEU 41 2HD2 LEU 41 4.916 0.743 0.277 315 H PHE 42 H PHE 42 6.946 -4.006 0.806 316 HA PHE 42 HA PHE 42 9.271 -2.779 -0.067 317 HB2 PHE 42 2HB PHE 42 8.362 -4.007 2.307 318 HB3 PHE 42 1HB PHE 42 9.968 -4.643 1.949 319 HD1 PHE 42 1HD PHE 42 7.948 -1.722 2.223 320 HD2 PHE 42 2HD PHE 42 11.882 -3.242 2.332 321 HE1 PHE 42 1HE PHE 42 8.744 0.449 2.908 322 HE2 PHE 42 2HE PHE 42 12.732 -1.041 3.065 323 HZ PHE 42 HZ PHE 42 11.151 0.835 3.358 324 H GLN 43 H GLN 43 8.087 -5.983 -0.784 325 HA GLN 43 HA GLN 43 10.604 -7.223 -1.241 326 HB2 GLN 43 2HB GLN 43 7.939 -7.654 -2.522 327 HB3 GLN 43 1HB GLN 43 9.320 -8.681 -2.826 328 HG2 GLN 43 2HG GLN 43 8.707 -9.927 -1.099 329 HG3 GLN 43 1HG GLN 43 9.124 -8.575 -0.053 330 HE21 GLN 43 1HE2 GLN 43 6.421 -8.704 -2.315 331 HE22 GLN 43 2HE2 GLN 43 5.194 -8.559 -1.124 332 H SER 44 H SER 44 9.154 -4.641 -2.787 333 HA SER 44 HA SER 44 10.209 -5.026 -5.420 334 HB2 SER 44 2HB SER 44 8.235 -3.573 -4.882 335 HB3 SER 44 1HB SER 44 9.337 -2.439 -4.108 336 HG SER 44 HG SER 44 10.226 -1.944 -6.041 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -16.856 3.972 -0.987 2 H2 GLY 1 2HT GLY 1 -16.507 5.408 -0.149 3 H3 GLY 1 3HT GLY 1 -16.557 3.928 0.678 4 HA2 GLY 1 1HA GLY 1 -14.627 4.481 -1.495 5 HA3 GLY 1 2HA GLY 1 -14.275 4.812 0.195 6 H SER 2 H SER 2 -12.514 3.223 -0.522 7 HA SER 2 HA SER 2 -13.354 0.642 0.558 8 HB2 SER 2 2HB SER 2 -13.168 0.426 -1.945 9 HB3 SER 2 1HB SER 2 -11.470 0.881 -1.807 10 HG SER 2 HG SER 2 -11.448 -1.302 -1.776 11 H ALA 3 H ALA 3 -12.011 -0.044 2.127 12 HA ALA 3 HA ALA 3 -9.911 1.835 2.859 13 HB1 ALA 3 1HB ALA 3 -11.613 1.294 4.507 14 HB2 ALA 3 2HB ALA 3 -10.017 0.781 5.055 15 HB3 ALA 3 3HB ALA 3 -11.160 -0.407 4.429 16 H THR 4 H THR 4 -9.558 -0.250 0.746 17 HA THR 4 HA THR 4 -7.489 -1.913 1.844 18 HB THR 4 HB THR 4 -7.297 -2.603 -0.627 19 HG1 THR 4 1HG THR 4 -9.438 -2.189 -1.644 20 HG21 THR 4 3HG2 THR 4 -9.805 -3.197 0.949 21 HG22 THR 4 1HG2 THR 4 -8.264 -4.036 1.110 22 HG23 THR 4 2HG2 THR 4 -9.179 -4.155 -0.392 23 H PHE 5 H PHE 5 -7.733 0.108 -0.763 24 HA PHE 5 HA PHE 5 -4.935 0.963 -0.689 25 HB2 PHE 5 2HB PHE 5 -6.918 1.110 -2.815 26 HB3 PHE 5 1HB PHE 5 -5.171 1.101 -3.041 27 HD1 PHE 5 1HD PHE 5 -4.484 -1.078 -1.357 28 HD2 PHE 5 2HD PHE 5 -7.706 -0.764 -4.058 29 HE1 PHE 5 1HE PHE 5 -4.532 -3.354 -1.528 30 HE2 PHE 5 2HE PHE 5 -7.753 -3.242 -4.214 31 HZ PHE 5 HZ PHE 5 -6.093 -4.526 -2.851 32 HA PRO 6 HA PRO 6 -7.803 4.874 -0.557 33 HB2 PRO 6 2HB PRO 6 -7.847 5.444 2.055 34 HB3 PRO 6 1HB PRO 6 -9.013 4.389 1.282 35 HG2 PRO 6 2HG PRO 6 -6.634 3.655 2.792 36 HG3 PRO 6 1HG PRO 6 -8.278 3.030 2.873 37 HD2 PRO 6 2HD PRO 6 -6.367 1.767 1.473 38 HD3 PRO 6 1HD PRO 6 -8.032 1.740 0.951 39 H GLU 7 H GLU 7 -7.123 7.003 -0.030 40 HA GLU 7 HA GLU 7 -4.479 7.483 -0.697 41 HB2 GLU 7 2HB GLU 7 -6.614 9.217 0.523 42 HB3 GLU 7 1HB GLU 7 -5.041 9.845 0.075 43 HG2 GLU 7 2HG GLU 7 -6.811 8.417 -1.875 44 HG3 GLU 7 1HG GLU 7 -6.913 10.155 -1.590 45 H GLN 8 H GLN 8 -5.987 7.241 2.466 46 HA GLN 8 HA GLN 8 -4.019 8.245 4.112 47 HB2 GLN 8 2HB GLN 8 -5.067 5.623 4.953 48 HB3 GLN 8 1HB GLN 8 -5.093 7.162 5.799 49 HG2 GLN 8 2HG GLN 8 -6.918 7.832 4.221 50 HG3 GLN 8 1HG GLN 8 -6.980 6.160 3.701 51 HE21 GLN 8 1HE2 GLN 8 -7.556 8.360 6.345 52 HE22 GLN 8 2HE2 GLN 8 -8.518 7.272 7.294 53 H THR 9 H THR 9 -4.319 4.875 3.090 54 HA THR 9 HA THR 9 -1.822 4.137 4.064 55 HB THR 9 HB THR 9 -2.301 1.999 2.946 56 HG1 THR 9 1HG THR 9 -4.216 1.755 1.824 57 HG21 THR 9 3HG2 THR 9 -3.089 2.385 5.217 58 HG22 THR 9 1HG2 THR 9 -4.242 1.403 4.313 59 HG23 THR 9 2HG2 THR 9 -4.561 3.118 4.578 60 H ILE 10 H ILE 10 -3.100 4.932 0.992 61 HA ILE 10 HA ILE 10 -1.041 4.325 -0.711 62 HB ILE 10 HB ILE 10 -2.980 6.601 -0.730 63 HG12 ILE 10 2HG1 ILE 10 -2.731 4.090 -2.384 64 HG13 ILE 10 1HG1 ILE 10 -3.851 4.331 -1.049 65 HG21 ILE 10 1HG2 ILE 10 -2.308 7.036 -3.025 66 HG22 ILE 10 2HG2 ILE 10 -1.023 5.839 -2.878 67 HG23 ILE 10 3HG2 ILE 10 -0.976 7.306 -1.903 68 HD11 ILE 10 3HD1 ILE 10 -4.922 6.119 -2.268 69 HD12 ILE 10 1HD1 ILE 10 -4.951 4.607 -3.171 70 HD13 ILE 10 2HD1 ILE 10 -3.804 5.873 -3.610 71 H LYS 11 H LYS 11 -1.600 7.371 0.963 72 HA LYS 11 HA LYS 11 0.832 8.432 0.061 73 HB2 LYS 11 2HB LYS 11 -1.098 9.360 2.145 74 HB3 LYS 11 1HB LYS 11 0.327 10.282 1.673 75 HG2 LYS 11 2HG LYS 11 -0.466 10.584 -0.518 76 HG3 LYS 11 1HG LYS 11 -1.707 9.334 -0.322 77 HD2 LYS 11 2HD LYS 11 -3.143 10.767 0.679 78 HD3 LYS 11 1HD LYS 11 -1.866 11.576 1.585 79 HE2 LYS 11 2HE LYS 11 -2.985 13.063 -0.034 80 HE3 LYS 11 1HE LYS 11 -1.261 12.885 -0.345 81 HZ1 LYS 11 3HZ LYS 11 -3.347 11.324 -1.780 82 HZ2 LYS 11 1HZ LYS 11 -1.699 11.458 -2.167 83 HZ3 LYS 11 2HZ LYS 11 -2.720 12.795 -2.343 84 H GLN 12 H GLN 12 -0.047 6.631 2.936 85 HA GLN 12 HA GLN 12 2.251 7.137 4.386 86 HB2 GLN 12 2HB GLN 12 0.110 5.089 4.207 87 HB3 GLN 12 1HB GLN 12 1.508 4.755 5.167 88 HG2 GLN 12 2HG GLN 12 1.177 6.750 6.449 89 HG3 GLN 12 1HG GLN 12 -0.201 7.109 5.450 90 HE21 GLN 12 1HE2 GLN 12 -2.084 5.997 5.689 91 HE22 GLN 12 2HE2 GLN 12 -2.416 5.019 7.072 92 H LEU 13 H LEU 13 1.594 4.833 1.777 93 HA LEU 13 HA LEU 13 4.126 3.552 2.168 94 HB2 LEU 13 2HB LEU 13 2.040 3.170 0.050 95 HB3 LEU 13 1HB LEU 13 3.403 2.127 0.374 96 HG LEU 13 HG LEU 13 1.134 2.689 2.215 97 HD11 LEU 13 1HD1 LEU 13 0.660 0.284 1.948 98 HD12 LEU 13 2HD1 LEU 13 1.941 0.199 0.736 99 HD13 LEU 13 3HD1 LEU 13 0.510 1.187 0.440 100 HD21 LEU 13 3HD2 LEU 13 3.506 0.891 2.653 101 HD22 LEU 13 1HD2 LEU 13 2.127 1.073 3.737 102 HD23 LEU 13 2HD2 LEU 13 3.215 2.434 3.457 103 H MET 14 H MET 14 2.504 5.600 -0.223 104 HA MET 14 HA MET 14 4.622 6.114 -1.917 105 HB2 MET 14 2HB MET 14 2.415 7.853 -0.838 106 HB3 MET 14 1HB MET 14 3.490 8.339 -2.134 107 HG2 MET 14 2HG MET 14 1.188 6.627 -2.221 108 HG3 MET 14 1HG MET 14 2.070 7.424 -3.480 109 HE1 MET 14 3HE MET 14 1.907 4.239 -1.270 110 HE2 MET 14 1HE MET 14 2.058 3.086 -2.596 111 HE3 MET 14 2HE MET 14 0.760 4.283 -2.607 112 H ASP 15 H ASP 15 3.878 7.265 1.240 113 HA ASP 15 HA ASP 15 5.802 9.222 1.627 114 HB2 ASP 15 2HB ASP 15 4.020 8.866 3.194 115 HB3 ASP 15 1HB ASP 15 4.564 7.226 3.529 116 H LEU 16 H LEU 16 6.096 5.627 1.863 117 HA LEU 16 HA LEU 16 8.763 5.804 2.860 118 HB2 LEU 16 2HB LEU 16 7.608 3.502 1.352 119 HB3 LEU 16 1HB LEU 16 8.777 3.490 2.646 120 HG LEU 16 HG LEU 16 5.918 4.256 2.983 121 HD11 LEU 16 1HD1 LEU 16 7.267 1.639 3.426 122 HD12 LEU 16 2HD1 LEU 16 5.944 2.025 2.322 123 HD13 LEU 16 3HD1 LEU 16 5.678 2.064 4.062 124 HD21 LEU 16 3HD2 LEU 16 6.370 3.970 5.374 125 HD22 LEU 16 1HD2 LEU 16 7.402 5.214 4.671 126 HD23 LEU 16 2HD2 LEU 16 8.056 3.611 5.006 127 H GLY 17 H GLY 17 7.431 6.450 -0.159 128 HA2 GLY 17 2HA GLY 17 8.856 7.441 -1.832 129 HA3 GLY 17 1HA GLY 17 10.102 6.286 -1.392 130 H PHE 18 H PHE 18 6.758 5.338 -1.842 131 HA PHE 18 HA PHE 18 7.612 3.728 -4.135 132 HB2 PHE 18 2HB PHE 18 5.378 3.427 -2.161 133 HB3 PHE 18 1HB PHE 18 5.710 2.289 -3.429 134 HD1 PHE 18 2HD PHE 18 8.503 1.846 -3.504 135 HD2 PHE 18 1HD PHE 18 5.943 2.724 -0.327 136 HE1 PHE 18 2HE PHE 18 10.091 0.801 -1.918 137 HE2 PHE 18 1HE PHE 18 7.409 1.761 1.214 138 HZ PHE 18 HZ PHE 18 9.485 0.797 0.474 139 HA PRO 19 HA PRO 19 4.286 5.453 -6.693 140 HB2 PRO 19 2HB PRO 19 3.717 3.452 -8.270 141 HB3 PRO 19 1HB PRO 19 5.384 4.032 -8.235 142 HG2 PRO 19 2HG PRO 19 4.211 1.771 -6.687 143 HG3 PRO 19 1HG PRO 19 5.558 1.775 -7.827 144 HD2 PRO 19 2HD PRO 19 5.984 2.061 -5.154 145 HD3 PRO 19 1HD PRO 19 6.985 2.905 -6.364 146 H ARG 20 H ARG 20 2.084 5.093 -7.227 147 HA ARG 20 HA ARG 20 0.441 4.501 -4.995 148 HB2 ARG 20 2HB ARG 20 -0.172 6.213 -6.562 149 HB3 ARG 20 1HB ARG 20 -0.097 5.092 -7.902 150 HG2 ARG 20 2HG ARG 20 -2.013 3.931 -7.131 151 HG3 ARG 20 1HG ARG 20 -2.054 4.906 -5.671 152 HD2 ARG 20 2HD ARG 20 -2.312 6.922 -7.124 153 HD3 ARG 20 1HD ARG 20 -2.480 5.835 -8.498 154 HE ARG 20 HE ARG 20 -4.426 6.276 -6.358 155 HH11 ARG 20 1HH1 ARG 20 -3.486 4.475 -9.219 156 HH12 ARG 20 2HH1 ARG 20 -5.112 4.019 -9.614 157 HH21 ARG 20 1HH2 ARG 20 -6.562 5.687 -6.886 158 HH22 ARG 20 2HH2 ARG 20 -6.871 4.704 -8.290 159 H ASP 21 H ASP 21 1.188 2.962 -7.995 160 HA ASP 21 HA ASP 21 -0.471 0.749 -7.974 161 HB2 ASP 21 2HB ASP 21 2.384 1.036 -8.912 162 HB3 ASP 21 1HB ASP 21 1.442 -0.427 -9.170 163 H ALA 22 H ALA 22 2.406 1.394 -6.081 164 HA ALA 22 HA ALA 22 2.845 -1.268 -5.215 165 HB1 ALA 22 1HB ALA 22 4.605 0.418 -5.175 166 HB2 ALA 22 2HB ALA 22 4.357 -0.292 -3.579 167 HB3 ALA 22 3HB ALA 22 3.724 1.314 -3.938 168 H VAL 23 H VAL 23 0.904 1.409 -3.915 169 HA VAL 23 HA VAL 23 0.247 0.202 -1.469 170 HB VAL 23 HB VAL 23 -0.397 2.598 -2.601 171 HG11 VAL 23 1HG1 VAL 23 -2.917 0.980 -2.507 172 HG12 VAL 23 2HG1 VAL 23 -2.167 1.700 -3.938 173 HG13 VAL 23 3HG1 VAL 23 -2.837 2.739 -2.675 174 HG21 VAL 23 3HG2 VAL 23 -2.106 2.616 -0.587 175 HG22 VAL 23 1HG2 VAL 23 -0.345 2.641 -0.351 176 HG23 VAL 23 2HG2 VAL 23 -1.251 1.122 -0.204 177 H VAL 24 H VAL 24 -1.238 0.184 -4.586 178 HA VAL 24 HA VAL 24 -3.318 -1.524 -3.838 179 HB VAL 24 HB VAL 24 -2.157 -0.722 -6.480 180 HG11 VAL 24 1HG1 VAL 24 -4.504 -2.573 -5.986 181 HG12 VAL 24 2HG1 VAL 24 -3.001 -2.974 -6.820 182 HG13 VAL 24 3HG1 VAL 24 -4.132 -1.827 -7.543 183 HG21 VAL 24 3HG2 VAL 24 -3.394 0.965 -5.316 184 HG22 VAL 24 1HG2 VAL 24 -4.734 -0.147 -5.023 185 HG23 VAL 24 2HG2 VAL 24 -4.378 0.397 -6.667 186 H LYS 25 H LYS 25 -0.197 -2.271 -5.360 187 HA LYS 25 HA LYS 25 -0.713 -5.015 -5.703 188 HB2 LYS 25 2HB LYS 25 1.901 -3.575 -5.221 189 HB3 LYS 25 1HB LYS 25 1.764 -5.255 -5.722 190 HG2 LYS 25 2HG LYS 25 0.822 -4.647 -7.809 191 HG3 LYS 25 1HG LYS 25 0.630 -2.966 -7.304 192 HD2 LYS 25 2HD LYS 25 3.050 -2.728 -7.169 193 HD3 LYS 25 1HD LYS 25 3.253 -4.414 -7.654 194 HE2 LYS 25 2HE LYS 25 1.928 -2.266 -9.312 195 HE3 LYS 25 1HE LYS 25 3.581 -2.839 -9.526 196 HZ1 LYS 25 3HZ LYS 25 2.047 -3.880 -11.082 197 HZ2 LYS 25 1HZ LYS 25 1.131 -4.504 -9.802 198 HZ3 LYS 25 2HZ LYS 25 2.726 -5.031 -10.043 199 H ALA 26 H ALA 26 0.423 -3.120 -2.966 200 HA ALA 26 HA ALA 26 1.308 -5.493 -1.553 201 HB1 ALA 26 1HB ALA 26 1.999 -3.984 0.199 202 HB2 ALA 26 2HB ALA 26 1.152 -2.649 -0.584 203 HB3 ALA 26 3HB ALA 26 2.555 -3.381 -1.363 204 H LEU 27 H LEU 27 -1.203 -3.060 -1.312 205 HA LEU 27 HA LEU 27 -2.268 -4.123 1.091 206 HB2 LEU 27 2HB LEU 27 -3.332 -2.180 -0.938 207 HB3 LEU 27 1HB LEU 27 -4.184 -2.588 0.529 208 HG LEU 27 HG LEU 27 -2.802 -0.409 0.389 209 HD11 LEU 27 1HD1 LEU 27 -3.837 -1.310 2.415 210 HD12 LEU 27 2HD1 LEU 27 -2.284 -0.539 2.746 211 HD13 LEU 27 3HD1 LEU 27 -2.405 -2.298 2.676 212 HD21 LEU 27 3HD2 LEU 27 -0.534 -0.594 1.068 213 HD22 LEU 27 1HD2 LEU 27 -0.821 -1.410 -0.471 214 HD23 LEU 27 2HD2 LEU 27 -0.664 -2.357 1.009 215 H LYS 28 H LYS 28 -2.715 -4.626 -2.342 216 HA LYS 28 HA LYS 28 -4.943 -6.271 -2.296 217 HB2 LYS 28 2HB LYS 28 -2.643 -5.921 -4.025 218 HB3 LYS 28 1HB LYS 28 -3.200 -7.588 -3.988 219 HG2 LYS 28 2HG LYS 28 -5.277 -7.049 -4.861 220 HG3 LYS 28 1HG LYS 28 -5.132 -5.339 -4.409 221 HD2 LYS 28 2HD LYS 28 -3.546 -4.937 -6.091 222 HD3 LYS 28 1HD LYS 28 -3.301 -6.658 -6.400 223 HE2 LYS 28 2HE LYS 28 -4.641 -5.600 -8.159 224 HE3 LYS 28 1HE LYS 28 -5.539 -6.848 -7.302 225 HZ1 LYS 28 3HZ LYS 28 -5.788 -3.923 -6.848 226 HZ2 LYS 28 1HZ LYS 28 -6.651 -5.125 -6.021 227 HZ3 LYS 28 2HZ LYS 28 -6.893 -4.897 -7.680 228 H GLN 29 H GLN 29 -1.477 -7.192 -1.647 229 HA GLN 29 HA GLN 29 -2.275 -9.889 -1.132 230 HB2 GLN 29 2HB GLN 29 0.224 -8.497 -0.256 231 HB3 GLN 29 1HB GLN 29 -0.019 -10.187 -0.550 232 HG2 GLN 29 2HG GLN 29 0.251 -9.996 -2.746 233 HG3 GLN 29 1HG GLN 29 -0.597 -8.447 -2.811 234 HE21 GLN 29 1HE2 GLN 29 0.907 -7.171 -0.855 235 HE22 GLN 29 2HE2 GLN 29 2.437 -6.832 -1.526 236 H THR 30 H THR 30 -1.734 -7.048 0.892 237 HA THR 30 HA THR 30 -2.037 -8.556 3.332 238 HB THR 30 HB THR 30 -1.733 -6.382 4.416 239 HG1 THR 30 1HG THR 30 -1.462 -4.531 3.210 240 HG21 THR 30 3HG2 THR 30 0.239 -6.925 2.210 241 HG22 THR 30 1HG2 THR 30 0.223 -7.697 3.796 242 HG23 THR 30 2HG2 THR 30 0.558 -5.971 3.660 243 H ASN 31 H ASN 31 -4.153 -7.487 1.123 244 HA ASN 31 HA ASN 31 -6.292 -6.808 1.018 245 HB2 ASN 31 2HB ASN 31 -6.332 -8.257 3.665 246 HB3 ASN 31 1HB ASN 31 -7.786 -7.558 2.959 247 HD21 ASN 31 1HD2 ASN 31 -5.411 -10.073 2.731 248 HD22 ASN 31 2HD2 ASN 31 -6.227 -11.014 1.529 249 H GLY 32 H GLY 32 -4.677 -4.725 1.583 250 HA2 GLY 32 2HA GLY 32 -5.198 -2.551 1.915 251 HA3 GLY 32 1HA GLY 32 -6.697 -3.042 2.674 252 H ASN 33 H ASN 33 -3.985 -4.451 4.406 253 HA ASN 33 HA ASN 33 -4.268 -2.243 6.230 254 HB2 ASN 33 2HB ASN 33 -3.831 -3.593 8.001 255 HB3 ASN 33 1HB ASN 33 -4.730 -4.637 6.930 256 HD21 ASN 33 1HD2 ASN 33 -3.493 -5.886 5.523 257 HD22 ASN 33 2HD2 ASN 33 -2.078 -6.693 6.130 258 H ALA 34 H ALA 34 -2.571 -0.981 6.895 259 HA ALA 34 HA ALA 34 -0.799 -0.689 4.699 260 HB1 ALA 34 1HB ALA 34 -0.946 1.000 7.174 261 HB2 ALA 34 2HB ALA 34 -1.973 1.194 5.753 262 HB3 ALA 34 3HB ALA 34 -0.232 1.447 5.624 263 H GLU 35 H GLU 35 -0.173 -1.671 8.053 264 HA GLU 35 HA GLU 35 2.486 -1.097 7.925 265 HB2 GLU 35 2HB GLU 35 0.615 -2.209 9.738 266 HB3 GLU 35 1HB GLU 35 2.139 -3.033 9.816 267 HG2 GLU 35 2HG GLU 35 1.898 -0.098 9.910 268 HG3 GLU 35 1HG GLU 35 1.756 -1.088 11.334 269 H PHE 36 H PHE 36 0.675 -3.895 7.593 270 HA PHE 36 HA PHE 36 2.702 -5.714 6.918 271 HB2 PHE 36 2HB PHE 36 -0.268 -5.541 6.607 272 HB3 PHE 36 1HB PHE 36 0.572 -6.834 5.786 273 HD1 PHE 36 1HD PHE 36 0.982 -5.195 9.069 274 HD2 PHE 36 2HD PHE 36 0.266 -8.837 7.003 275 HE1 PHE 36 1HE PHE 36 0.996 -6.331 11.144 276 HE2 PHE 36 2HE PHE 36 0.273 -10.041 9.160 277 HZ PHE 36 HZ PHE 36 0.637 -8.786 11.258 278 H ALA 37 H ALA 37 0.974 -3.271 5.212 279 HA ALA 37 HA ALA 37 1.368 -4.317 2.597 280 HB1 ALA 37 1HB ALA 37 0.806 -1.525 3.537 281 HB2 ALA 37 2HB ALA 37 -0.412 -2.756 3.201 282 HB3 ALA 37 3HB ALA 37 0.599 -2.133 1.896 283 H ALA 38 H ALA 38 2.902 -1.869 4.526 284 HA ALA 38 HA ALA 38 4.746 -0.922 2.717 285 HB1 ALA 38 1HB ALA 38 4.276 0.148 4.860 286 HB2 ALA 38 2HB ALA 38 6.002 -0.140 4.637 287 HB3 ALA 38 3HB ALA 38 5.061 -1.193 5.692 288 H SER 39 H SER 39 4.923 -3.657 4.960 289 HA SER 39 HA SER 39 7.738 -3.987 4.493 290 HB2 SER 39 2HB SER 39 5.745 -5.791 5.883 291 HB3 SER 39 1HB SER 39 7.500 -5.948 5.961 292 HG SER 39 HG SER 39 7.457 -3.743 6.843 293 H LEU 40 H LEU 40 4.751 -5.089 3.254 294 HA LEU 40 HA LEU 40 5.873 -7.317 1.825 295 HB2 LEU 40 2HB LEU 40 3.543 -6.997 2.829 296 HB3 LEU 40 1HB LEU 40 3.219 -6.051 1.414 297 HG LEU 40 HG LEU 40 3.433 -7.926 -0.035 298 HD11 LEU 40 1HD1 LEU 40 4.234 -10.116 0.734 299 HD12 LEU 40 2HD1 LEU 40 4.546 -9.438 2.331 300 HD13 LEU 40 3HD1 LEU 40 5.467 -8.872 0.939 301 HD21 LEU 40 3HD2 LEU 40 1.860 -9.552 0.887 302 HD22 LEU 40 1HD2 LEU 40 1.344 -7.898 1.224 303 HD23 LEU 40 2HD2 LEU 40 2.091 -8.867 2.495 304 H LEU 41 H LEU 41 4.808 -3.985 1.131 305 HA LEU 41 HA LEU 41 5.147 -4.337 -1.663 306 HB2 LEU 41 2HB LEU 41 4.280 -2.317 -1.856 307 HB3 LEU 41 1HB LEU 41 3.747 -2.667 -0.237 308 HG LEU 41 HG LEU 41 6.145 -1.503 0.212 309 HD11 LEU 41 1HD1 LEU 41 6.260 0.311 -1.329 310 HD12 LEU 41 2HD1 LEU 41 4.745 -0.212 -2.090 311 HD13 LEU 41 3HD1 LEU 41 6.195 -1.217 -2.211 312 HD21 LEU 41 3HD2 LEU 41 3.972 -1.113 1.283 313 HD22 LEU 41 1HD2 LEU 41 3.475 -0.181 -0.125 314 HD23 LEU 41 2HD2 LEU 41 4.814 0.389 0.881 315 H PHE 42 H PHE 42 7.070 -3.531 1.022 316 HA PHE 42 HA PHE 42 9.274 -2.240 0.093 317 HB2 PHE 42 2HB PHE 42 8.598 -3.798 2.367 318 HB3 PHE 42 1HB PHE 42 10.215 -4.256 1.837 319 HD1 PHE 42 1HD PHE 42 8.019 -1.548 2.574 320 HD2 PHE 42 2HD PHE 42 12.046 -2.786 2.308 321 HE1 PHE 42 1HE PHE 42 8.710 0.569 3.490 322 HE2 PHE 42 2HE PHE 42 12.791 -0.636 3.279 323 HZ PHE 42 HZ PHE 42 11.103 1.072 3.877 324 H GLN 43 H GLN 43 8.182 -5.427 -0.675 325 HA GLN 43 HA GLN 43 10.501 -6.765 -1.413 326 HB2 GLN 43 2HB GLN 43 7.749 -6.791 -2.597 327 HB3 GLN 43 1HB GLN 43 9.006 -7.874 -3.152 328 HG2 GLN 43 2HG GLN 43 9.126 -8.986 -1.079 329 HG3 GLN 43 1HG GLN 43 8.171 -7.747 -0.274 330 HE21 GLN 43 1HE2 GLN 43 6.063 -7.523 -2.148 331 HE22 GLN 43 2HE2 GLN 43 5.169 -8.985 -2.123 332 H SER 44 H SER 44 8.879 -4.177 -2.931 333 HA SER 44 HA SER 44 10.959 -4.071 -5.000 334 HB2 SER 44 2HB SER 44 7.998 -3.625 -5.473 335 HB3 SER 44 1HB SER 44 9.271 -3.377 -6.668 336 HG SER 44 HG SER 44 9.791 -5.712 -6.090 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -17.614 -1.957 -1.434 2 H2 GLY 1 2HT GLY 1 -16.267 -2.802 -2.014 3 H3 GLY 1 3HT GLY 1 -17.164 -1.818 -3.061 4 HA2 GLY 1 1HA GLY 1 -15.128 -0.708 -2.467 5 HA3 GLY 1 2HA GLY 1 -16.517 0.146 -1.811 6 H SER 2 H SER 2 -13.505 -0.953 -1.113 7 HA SER 2 HA SER 2 -14.066 -0.968 1.771 8 HB2 SER 2 2HB SER 2 -12.186 -2.640 1.969 9 HB3 SER 2 1HB SER 2 -13.631 -3.257 1.168 10 HG SER 2 HG SER 2 -12.352 -3.741 -0.420 11 H ALA 3 H ALA 3 -12.330 -0.181 3.087 12 HA ALA 3 HA ALA 3 -10.688 1.824 1.809 13 HB1 ALA 3 1HB ALA 3 -11.718 2.275 3.978 14 HB2 ALA 3 2HB ALA 3 -9.959 2.367 4.080 15 HB3 ALA 3 3HB ALA 3 -10.804 0.946 4.694 16 H THR 4 H THR 4 -9.809 -0.185 0.545 17 HA THR 4 HA THR 4 -7.761 -1.635 1.901 18 HB THR 4 HB THR 4 -7.415 -2.363 -0.636 19 HG1 THR 4 1HG THR 4 -10.176 -2.190 -0.700 20 HG21 THR 4 3HG2 THR 4 -8.905 -4.249 -0.188 21 HG22 THR 4 1HG2 THR 4 -9.620 -3.376 1.166 22 HG23 THR 4 2HG2 THR 4 -7.930 -3.873 1.233 23 H PHE 5 H PHE 5 -7.845 0.311 -0.792 24 HA PHE 5 HA PHE 5 -5.017 1.015 -0.654 25 HB2 PHE 5 2HB PHE 5 -6.917 1.219 -2.853 26 HB3 PHE 5 1HB PHE 5 -5.168 1.087 -3.014 27 HD1 PHE 5 1HD PHE 5 -4.594 -1.109 -1.368 28 HD2 PHE 5 2HD PHE 5 -7.889 -0.618 -3.952 29 HE1 PHE 5 1HE PHE 5 -4.798 -3.374 -1.481 30 HE2 PHE 5 2HE PHE 5 -8.108 -3.089 -4.056 31 HZ PHE 5 HZ PHE 5 -6.491 -4.456 -2.735 32 HA PRO 6 HA PRO 6 -7.695 5.086 -0.734 33 HB2 PRO 6 2HB PRO 6 -7.984 5.686 1.844 34 HB3 PRO 6 1HB PRO 6 -9.082 4.619 0.991 35 HG2 PRO 6 2HG PRO 6 -6.839 3.900 2.707 36 HG3 PRO 6 1HG PRO 6 -8.498 3.311 2.687 37 HD2 PRO 6 2HD PRO 6 -6.525 1.967 1.459 38 HD3 PRO 6 1HD PRO 6 -8.151 1.966 0.825 39 H GLU 7 H GLU 7 -6.977 7.229 -0.068 40 HA GLU 7 HA GLU 7 -4.242 7.398 -0.626 41 HB2 GLU 7 2HB GLU 7 -6.335 9.422 0.062 42 HB3 GLU 7 1HB GLU 7 -4.659 9.884 -0.187 43 HG2 GLU 7 2HG GLU 7 -4.715 8.894 -2.420 44 HG3 GLU 7 1HG GLU 7 -6.398 8.444 -2.169 45 H GLN 8 H GLN 8 -5.951 7.458 2.439 46 HA GLN 8 HA GLN 8 -4.008 8.528 4.104 47 HB2 GLN 8 2HB GLN 8 -5.169 5.970 5.029 48 HB3 GLN 8 1HB GLN 8 -5.123 7.531 5.830 49 HG2 GLN 8 2HG GLN 8 -6.894 8.245 4.210 50 HG3 GLN 8 1HG GLN 8 -7.041 6.563 3.749 51 HE21 GLN 8 1HE2 GLN 8 -7.523 8.879 6.313 52 HE22 GLN 8 2HE2 GLN 8 -8.527 7.872 7.299 53 H THR 9 H THR 9 -4.387 5.160 3.164 54 HA THR 9 HA THR 9 -1.931 4.344 4.193 55 HB THR 9 HB THR 9 -2.483 2.200 3.134 56 HG1 THR 9 1HG THR 9 -4.353 1.983 1.966 57 HG21 THR 9 3HG2 THR 9 -4.443 1.714 4.502 58 HG22 THR 9 1HG2 THR 9 -4.739 3.442 4.678 59 HG23 THR 9 2HG2 THR 9 -3.292 2.720 5.381 60 H ILE 10 H ILE 10 -3.122 5.264 1.149 61 HA ILE 10 HA ILE 10 -1.112 4.475 -0.560 62 HB ILE 10 HB ILE 10 -2.989 6.792 -0.601 63 HG12 ILE 10 2HG1 ILE 10 -2.649 4.386 -2.389 64 HG13 ILE 10 1HG1 ILE 10 -3.798 4.505 -1.063 65 HG21 ILE 10 1HG2 ILE 10 -0.947 7.568 -1.652 66 HG22 ILE 10 2HG2 ILE 10 -2.217 7.325 -2.850 67 HG23 ILE 10 3HG2 ILE 10 -0.921 6.141 -2.684 68 HD11 ILE 10 3HD1 ILE 10 -4.866 4.909 -3.183 69 HD12 ILE 10 1HD1 ILE 10 -3.745 6.230 -3.507 70 HD13 ILE 10 2HD1 ILE 10 -4.888 6.351 -2.169 71 H LYS 11 H LYS 11 -1.514 7.546 1.102 72 HA LYS 11 HA LYS 11 0.992 8.456 0.280 73 HB2 LYS 11 2HB LYS 11 -0.717 9.401 2.558 74 HB3 LYS 11 1HB LYS 11 0.639 10.286 1.878 75 HG2 LYS 11 2HG LYS 11 -0.504 10.692 -0.126 76 HG3 LYS 11 1HG LYS 11 -1.718 9.447 0.227 77 HD2 LYS 11 2HD LYS 11 -2.541 10.809 2.095 78 HD3 LYS 11 1HD LYS 11 -1.329 12.037 1.741 79 HE2 LYS 11 2HE LYS 11 -3.460 11.154 -0.196 80 HE3 LYS 11 1HE LYS 11 -3.622 12.544 0.874 81 HZ1 LYS 11 3HZ LYS 11 -1.672 13.528 -0.194 82 HZ2 LYS 11 1HZ LYS 11 -2.910 13.225 -1.312 83 HZ3 LYS 11 2HZ LYS 11 -1.562 12.196 -1.246 84 H GLN 12 H GLN 12 -0.020 6.508 2.987 85 HA GLN 12 HA GLN 12 2.270 6.796 4.521 86 HB2 GLN 12 2HB GLN 12 0.024 4.916 4.182 87 HB3 GLN 12 1HB GLN 12 1.442 4.289 4.967 88 HG2 GLN 12 2HG GLN 12 -0.268 6.584 5.813 89 HG3 GLN 12 1HG GLN 12 0.007 5.063 6.661 90 HE21 GLN 12 1HE2 GLN 12 1.321 8.164 5.841 91 HE22 GLN 12 2HE2 GLN 12 2.639 8.137 6.953 92 H LEU 13 H LEU 13 1.524 4.665 1.796 93 HA LEU 13 HA LEU 13 3.961 3.218 2.136 94 HB2 LEU 13 2HB LEU 13 1.841 3.010 0.026 95 HB3 LEU 13 1HB LEU 13 3.144 1.884 0.302 96 HG LEU 13 HG LEU 13 0.906 2.504 2.158 97 HD11 LEU 13 1HD1 LEU 13 1.622 -0.045 0.716 98 HD12 LEU 13 2HD1 LEU 13 0.292 1.034 0.298 99 HD13 LEU 13 3HD1 LEU 13 0.272 0.165 1.832 100 HD21 LEU 13 3HD2 LEU 13 1.849 0.753 3.610 101 HD22 LEU 13 1HD2 LEU 13 2.896 2.164 3.451 102 HD23 LEU 13 2HD2 LEU 13 3.265 0.688 2.559 103 H MET 14 H MET 14 2.443 5.406 -0.239 104 HA MET 14 HA MET 14 4.647 5.699 -1.901 105 HB2 MET 14 2HB MET 14 2.333 7.385 -1.075 106 HB3 MET 14 1HB MET 14 3.510 7.960 -2.245 107 HG2 MET 14 2HG MET 14 1.571 7.006 -3.264 108 HG3 MET 14 1HG MET 14 3.003 6.129 -3.686 109 HE1 MET 14 3HE MET 14 3.171 3.533 -3.454 110 HE2 MET 14 1HE MET 14 2.368 2.642 -2.162 111 HE3 MET 14 2HE MET 14 3.537 3.906 -1.770 112 H ASP 15 H ASP 15 3.951 6.860 1.243 113 HA ASP 15 HA ASP 15 5.813 8.931 1.538 114 HB2 ASP 15 2HB ASP 15 4.107 8.589 3.172 115 HB3 ASP 15 1HB ASP 15 4.670 6.958 3.526 116 H LEU 16 H LEU 16 6.213 5.353 1.874 117 HA LEU 16 HA LEU 16 8.841 5.347 2.705 118 HB2 LEU 16 2HB LEU 16 7.090 3.656 1.038 119 HB3 LEU 16 1HB LEU 16 8.743 3.250 1.267 120 HG LEU 16 HG LEU 16 7.702 2.056 2.819 121 HD11 LEU 16 1HD1 LEU 16 8.287 2.968 5.007 122 HD12 LEU 16 2HD1 LEU 16 8.457 4.559 4.262 123 HD13 LEU 16 3HD1 LEU 16 9.558 3.255 3.817 124 HD21 LEU 16 3HD2 LEU 16 5.531 3.024 2.545 125 HD22 LEU 16 1HD2 LEU 16 6.027 4.388 3.539 126 HD23 LEU 16 2HD2 LEU 16 5.917 2.777 4.250 127 H GLY 17 H GLY 17 7.428 6.166 -0.341 128 HA2 GLY 17 2HA GLY 17 8.845 7.552 -1.841 129 HA3 GLY 17 1HA GLY 17 10.105 6.348 -1.591 130 H PHE 18 H PHE 18 7.045 5.003 -1.715 131 HA PHE 18 HA PHE 18 7.594 3.764 -4.262 132 HB2 PHE 18 2HB PHE 18 5.513 3.335 -2.161 133 HB3 PHE 18 1HB PHE 18 5.676 2.331 -3.564 134 HD1 PHE 18 2HD PHE 18 8.373 1.658 -3.921 135 HD2 PHE 18 1HD PHE 18 6.210 2.491 -0.452 136 HE1 PHE 18 2HE PHE 18 9.958 0.293 -2.596 137 HE2 PHE 18 1HE PHE 18 7.676 1.198 0.850 138 HZ PHE 18 HZ PHE 18 9.556 0.091 -0.167 139 HA PRO 19 HA PRO 19 4.290 5.706 -6.623 140 HB2 PRO 19 2HB PRO 19 3.759 3.841 -8.366 141 HB3 PRO 19 1HB PRO 19 5.428 4.410 -8.245 142 HG2 PRO 19 2HG PRO 19 4.218 2.045 -6.889 143 HG3 PRO 19 1HG PRO 19 5.578 2.122 -8.008 144 HD2 PRO 19 2HD PRO 19 5.990 2.209 -5.323 145 HD3 PRO 19 1HD PRO 19 6.989 3.158 -6.458 146 H ARG 20 H ARG 20 2.063 5.356 -7.277 147 HA ARG 20 HA ARG 20 0.387 4.670 -5.120 148 HB2 ARG 20 2HB ARG 20 -0.278 6.316 -6.744 149 HB3 ARG 20 1HB ARG 20 -0.150 5.159 -8.048 150 HG2 ARG 20 2HG ARG 20 -2.017 3.952 -7.276 151 HG3 ARG 20 1HG ARG 20 -2.093 4.910 -5.808 152 HD2 ARG 20 2HD ARG 20 -2.441 6.924 -7.276 153 HD3 ARG 20 1HD ARG 20 -2.634 5.807 -8.624 154 HE ARG 20 HE ARG 20 -4.387 5.032 -6.574 155 HH11 ARG 20 1HH1 ARG 20 -3.944 7.651 -8.853 156 HH12 ARG 20 2HH1 ARG 20 -5.637 8.040 -8.934 157 HH21 ARG 20 1HH2 ARG 20 -6.604 5.547 -6.659 158 HH22 ARG 20 2HH2 ARG 20 -7.151 6.854 -7.666 159 H ASP 21 H ASP 21 1.147 3.046 -8.130 160 HA ASP 21 HA ASP 21 -0.561 0.854 -7.963 161 HB2 ASP 21 2HB ASP 21 2.199 1.124 -9.141 162 HB3 ASP 21 1HB ASP 21 1.332 -0.407 -9.191 163 H ALA 22 H ALA 22 2.342 1.555 -6.204 164 HA ALA 22 HA ALA 22 2.835 -1.082 -5.271 165 HB1 ALA 22 1HB ALA 22 4.414 -0.068 -3.756 166 HB2 ALA 22 2HB ALA 22 3.739 1.527 -4.083 167 HB3 ALA 22 3HB ALA 22 4.570 0.643 -5.363 168 H VAL 23 H VAL 23 0.853 1.600 -4.048 169 HA VAL 23 HA VAL 23 0.318 0.509 -1.511 170 HB VAL 23 HB VAL 23 -0.424 2.840 -2.682 171 HG11 VAL 23 1HG1 VAL 23 -2.855 2.933 -2.827 172 HG12 VAL 23 2HG1 VAL 23 -2.932 1.186 -2.566 173 HG13 VAL 23 3HG1 VAL 23 -2.166 1.833 -4.024 174 HG21 VAL 23 3HG2 VAL 23 -1.933 1.583 -0.423 175 HG22 VAL 23 1HG2 VAL 23 -1.646 3.302 -0.703 176 HG23 VAL 23 2HG2 VAL 23 -0.293 2.247 -0.285 177 H VAL 24 H VAL 24 -1.211 0.309 -4.588 178 HA VAL 24 HA VAL 24 -3.280 -1.381 -3.768 179 HB VAL 24 HB VAL 24 -2.088 -0.802 -6.457 180 HG11 VAL 24 1HG1 VAL 24 -4.464 -2.557 -5.776 181 HG12 VAL 24 2HG1 VAL 24 -2.974 -3.062 -6.579 182 HG13 VAL 24 3HG1 VAL 24 -4.091 -1.970 -7.401 183 HG21 VAL 24 3HG2 VAL 24 -4.287 0.337 -6.748 184 HG22 VAL 24 1HG2 VAL 24 -3.302 1.007 -5.444 185 HG23 VAL 24 2HG2 VAL 24 -4.658 -0.054 -5.066 186 H LYS 25 H LYS 25 -0.212 -2.243 -5.415 187 HA LYS 25 HA LYS 25 -0.737 -4.984 -5.504 188 HB2 LYS 25 2HB LYS 25 1.948 -3.642 -5.266 189 HB3 LYS 25 1HB LYS 25 1.671 -5.275 -5.810 190 HG2 LYS 25 2HG LYS 25 0.878 -2.737 -7.178 191 HG3 LYS 25 1HG LYS 25 2.054 -3.931 -7.725 192 HD2 LYS 25 2HD LYS 25 0.047 -5.497 -7.471 193 HD3 LYS 25 1HD LYS 25 -0.907 -4.045 -7.638 194 HE2 LYS 25 2HE LYS 25 1.177 -4.982 -9.610 195 HE3 LYS 25 1HE LYS 25 -0.564 -5.184 -9.803 196 HZ1 LYS 25 3HZ LYS 25 -0.761 -2.733 -9.670 197 HZ2 LYS 25 1HZ LYS 25 0.112 -3.270 -11.020 198 HZ3 LYS 25 2HZ LYS 25 0.931 -2.627 -9.689 199 H ALA 26 H ALA 26 0.658 -2.936 -3.028 200 HA ALA 26 HA ALA 26 1.540 -5.144 -1.405 201 HB1 ALA 26 1HB ALA 26 2.179 -3.507 0.223 202 HB2 ALA 26 2HB ALA 26 1.213 -2.272 -0.587 203 HB3 ALA 26 3HB ALA 26 2.644 -2.931 -1.380 204 H LEU 27 H LEU 27 -1.185 -2.900 -1.338 205 HA LEU 27 HA LEU 27 -2.200 -3.961 1.102 206 HB2 LEU 27 2HB LEU 27 -3.444 -2.266 -0.957 207 HB3 LEU 27 1HB LEU 27 -4.155 -2.649 0.596 208 HG LEU 27 HG LEU 27 -1.492 -1.336 0.288 209 HD11 LEU 27 1HD1 LEU 27 -4.226 -0.256 0.490 210 HD12 LEU 27 2HD1 LEU 27 -3.090 -0.091 -0.848 211 HD13 LEU 27 3HD1 LEU 27 -2.760 0.706 0.696 212 HD21 LEU 27 3HD2 LEU 27 -3.493 -1.426 2.534 213 HD22 LEU 27 1HD2 LEU 27 -1.921 -0.631 2.573 214 HD23 LEU 27 2HD2 LEU 27 -2.019 -2.389 2.457 215 H LYS 28 H LYS 28 -2.906 -4.401 -2.320 216 HA LYS 28 HA LYS 28 -4.826 -6.410 -2.121 217 HB2 LYS 28 2HB LYS 28 -2.576 -6.076 -4.046 218 HB3 LYS 28 1HB LYS 28 -3.609 -7.458 -4.174 219 HG2 LYS 28 2HG LYS 28 -4.438 -4.576 -4.395 220 HG3 LYS 28 1HG LYS 28 -4.196 -5.698 -5.743 221 HD2 LYS 28 2HD LYS 28 -5.981 -6.280 -3.485 222 HD3 LYS 28 1HD LYS 28 -6.576 -5.378 -4.876 223 HE2 LYS 28 2HE LYS 28 -5.905 -7.280 -6.310 224 HE3 LYS 28 1HE LYS 28 -5.400 -8.163 -4.870 225 HZ1 LYS 28 3HZ LYS 28 -7.804 -7.757 -4.099 226 HZ2 LYS 28 1HZ LYS 28 -7.523 -8.952 -5.268 227 HZ3 LYS 28 2HZ LYS 28 -8.126 -7.444 -5.734 228 H GLN 29 H GLN 29 -1.303 -6.653 -1.740 229 HA GLN 29 HA GLN 29 -1.114 -9.414 -1.365 230 HB2 GLN 29 2HB GLN 29 0.492 -7.052 -1.156 231 HB3 GLN 29 1HB GLN 29 0.809 -8.085 0.222 232 HG2 GLN 29 2HG GLN 29 2.094 -9.298 -0.997 233 HG3 GLN 29 1HG GLN 29 0.774 -9.698 -2.081 234 HE21 GLN 29 1HE2 GLN 29 2.354 -6.581 -1.546 235 HE22 GLN 29 2HE2 GLN 29 2.952 -6.406 -3.157 236 H THR 30 H THR 30 -2.093 -6.829 0.754 237 HA THR 30 HA THR 30 -1.875 -8.574 3.102 238 HB THR 30 HB THR 30 -1.712 -6.381 4.298 239 HG1 THR 30 1HG THR 30 -1.014 -5.197 1.864 240 HG21 THR 30 3HG2 THR 30 0.636 -6.025 3.680 241 HG22 THR 30 1HG2 THR 30 0.377 -6.942 2.192 242 HG23 THR 30 2HG2 THR 30 0.264 -7.749 3.760 243 H ASN 31 H ASN 31 -4.132 -7.542 1.079 244 HA ASN 31 HA ASN 31 -6.281 -6.889 1.061 245 HB2 ASN 31 2HB ASN 31 -6.194 -8.439 3.641 246 HB3 ASN 31 1HB ASN 31 -7.687 -7.724 3.040 247 HD21 ASN 31 1HD2 ASN 31 -5.335 -10.214 2.633 248 HD22 ASN 31 2HD2 ASN 31 -6.183 -11.102 1.417 249 H GLY 32 H GLY 32 -4.800 -4.713 1.590 250 HA2 GLY 32 2HA GLY 32 -5.640 -2.602 1.973 251 HA3 GLY 32 1HA GLY 32 -6.840 -3.274 3.055 252 H ASN 33 H ASN 33 -4.219 -4.578 4.576 253 HA ASN 33 HA ASN 33 -4.163 -2.243 6.238 254 HB2 ASN 33 2HB ASN 33 -3.451 -3.614 7.992 255 HB3 ASN 33 1HB ASN 33 -4.708 -4.464 7.154 256 HD21 ASN 33 1HD2 ASN 33 -2.551 -5.110 5.080 257 HD22 ASN 33 2HD2 ASN 33 -1.780 -6.493 5.778 258 H ALA 34 H ALA 34 -2.625 -0.834 6.401 259 HA ALA 34 HA ALA 34 -0.855 -0.828 4.194 260 HB1 ALA 34 1HB ALA 34 -2.087 1.148 4.969 261 HB2 ALA 34 2HB ALA 34 -0.357 1.439 4.787 262 HB3 ALA 34 3HB ALA 34 -1.047 1.203 6.393 263 H GLU 35 H GLU 35 -0.170 -1.199 7.662 264 HA GLU 35 HA GLU 35 2.477 -0.641 7.392 265 HB2 GLU 35 2HB GLU 35 0.684 -1.606 9.432 266 HB3 GLU 35 1HB GLU 35 2.346 -2.070 9.630 267 HG2 GLU 35 2HG GLU 35 1.549 0.712 9.100 268 HG3 GLU 35 1HG GLU 35 1.513 0.042 10.704 269 H PHE 36 H PHE 36 0.658 -3.455 7.506 270 HA PHE 36 HA PHE 36 2.666 -5.357 7.078 271 HB2 PHE 36 2HB PHE 36 -0.292 -5.172 6.792 272 HB3 PHE 36 1HB PHE 36 0.496 -6.566 6.079 273 HD1 PHE 36 1HD PHE 36 0.815 -4.556 9.159 274 HD2 PHE 36 2HD PHE 36 0.465 -8.446 7.503 275 HE1 PHE 36 1HE PHE 36 0.929 -5.454 11.343 276 HE2 PHE 36 2HE PHE 36 0.574 -9.404 9.777 277 HZ PHE 36 HZ PHE 36 0.810 -7.904 11.726 278 H ALA 37 H ALA 37 0.973 -3.157 5.033 279 HA ALA 37 HA ALA 37 1.461 -4.558 2.577 280 HB1 ALA 37 1HB ALA 37 -0.412 -3.006 2.815 281 HB2 ALA 37 2HB ALA 37 0.657 -2.537 1.493 282 HB3 ALA 37 3HB ALA 37 0.725 -1.675 3.030 283 H ALA 38 H ALA 38 2.838 -1.778 4.163 284 HA ALA 38 HA ALA 38 4.783 -1.075 2.352 285 HB1 ALA 38 1HB ALA 38 5.930 -0.008 4.200 286 HB2 ALA 38 2HB ALA 38 4.934 -0.903 5.349 287 HB3 ALA 38 3HB ALA 38 4.194 0.291 4.283 288 H SER 39 H SER 39 4.808 -3.484 4.908 289 HA SER 39 HA SER 39 7.637 -3.848 4.843 290 HB2 SER 39 2HB SER 39 5.451 -5.598 6.011 291 HB3 SER 39 1HB SER 39 7.175 -5.721 6.372 292 HG SER 39 HG SER 39 5.365 -3.640 7.042 293 H LEU 40 H LEU 40 4.845 -5.016 3.275 294 HA LEU 40 HA LEU 40 6.109 -7.321 2.115 295 HB2 LEU 40 2HB LEU 40 3.657 -6.857 2.835 296 HB3 LEU 40 1HB LEU 40 3.537 -6.075 1.293 297 HG LEU 40 HG LEU 40 2.664 -8.275 1.012 298 HD11 LEU 40 1HD1 LEU 40 4.196 -9.381 -0.540 299 HD12 LEU 40 2HD1 LEU 40 5.498 -8.317 -0.005 300 HD13 LEU 40 3HD1 LEU 40 4.095 -7.646 -0.839 301 HD21 LEU 40 3HD2 LEU 40 3.876 -10.290 1.688 302 HD22 LEU 40 1HD2 LEU 40 3.530 -9.237 3.061 303 HD23 LEU 40 2HD2 LEU 40 5.153 -9.286 2.372 304 H LEU 41 H LEU 41 5.015 -4.051 1.009 305 HA LEU 41 HA LEU 41 5.663 -4.694 -1.661 306 HB2 LEU 41 2HB LEU 41 4.751 -2.774 -2.219 307 HB3 LEU 41 1HB LEU 41 3.986 -3.061 -0.670 308 HG LEU 41 HG LEU 41 6.364 -1.661 -0.205 309 HD11 LEU 41 1HD1 LEU 41 6.081 0.183 -1.641 310 HD12 LEU 41 2HD1 LEU 41 4.511 -0.419 -2.194 311 HD13 LEU 41 3HD1 LEU 41 5.997 -1.270 -2.637 312 HD21 LEU 41 3HD2 LEU 41 3.553 -0.672 -0.215 313 HD22 LEU 41 1HD2 LEU 41 4.881 -0.195 0.849 314 HD23 LEU 41 2HD2 LEU 41 4.169 -1.814 0.977 315 H PHE 42 H PHE 42 7.261 -3.538 1.051 316 HA PHE 42 HA PHE 42 9.506 -2.259 0.228 317 HB2 PHE 42 2HB PHE 42 8.687 -3.738 2.521 318 HB3 PHE 42 1HB PHE 42 10.363 -4.132 2.146 319 HD1 PHE 42 1HD PHE 42 7.987 -1.499 2.534 320 HD2 PHE 42 2HD PHE 42 12.066 -2.566 2.737 321 HE1 PHE 42 1HE PHE 42 8.500 0.690 3.402 322 HE2 PHE 42 2HE PHE 42 12.627 -0.341 3.654 323 HZ PHE 42 HZ PHE 42 10.821 1.317 3.995 324 H GLN 43 H GLN 43 8.489 -5.492 -0.528 325 HA GLN 43 HA GLN 43 11.019 -6.689 -0.945 326 HB2 GLN 43 2HB GLN 43 9.869 -8.488 -1.683 327 HB3 GLN 43 1HB GLN 43 8.561 -7.644 -0.892 328 HG2 GLN 43 2HG GLN 43 9.123 -7.637 -3.828 329 HG3 GLN 43 1HG GLN 43 7.914 -8.591 -3.006 330 HE21 GLN 43 1HE2 GLN 43 6.116 -7.533 -2.102 331 HE22 GLN 43 2HE2 GLN 43 5.561 -6.025 -2.738 332 H SER 44 H SER 44 9.655 -4.134 -2.524 333 HA SER 44 HA SER 44 10.819 -4.579 -5.127 334 HB2 SER 44 2HB SER 44 9.708 -2.047 -3.883 335 HB3 SER 44 1HB SER 44 10.127 -2.257 -5.583 336 HG SER 44 HG SER 44 8.344 -4.079 -4.414 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -14.940 -1.042 -1.680 2 H2 GLY 1 2HT GLY 1 -13.865 -0.714 -2.951 3 H3 GLY 1 3HT GLY 1 -14.450 0.552 -1.988 4 HA2 GLY 1 1HA GLY 1 -12.741 -1.664 -1.012 5 HA3 GLY 1 2HA GLY 1 -12.156 -0.058 -1.432 6 H SER 2 H SER 2 -13.048 -1.964 1.080 7 HA SER 2 HA SER 2 -14.522 -0.155 2.695 8 HB2 SER 2 2HB SER 2 -14.422 -2.604 3.106 9 HB3 SER 2 1HB SER 2 -12.726 -2.443 3.557 10 HG SER 2 HG SER 2 -13.316 -1.796 5.456 11 H ALA 3 H ALA 3 -11.110 -1.138 2.800 12 HA ALA 3 HA ALA 3 -10.142 1.512 3.087 13 HB1 ALA 3 1HB ALA 3 -9.244 1.344 5.361 14 HB2 ALA 3 2HB ALA 3 -10.044 -0.214 5.565 15 HB3 ALA 3 3HB ALA 3 -11.005 1.252 5.369 16 H THR 4 H THR 4 -9.490 -0.239 1.242 17 HA THR 4 HA THR 4 -7.245 -1.834 2.068 18 HB THR 4 HB THR 4 -7.290 -2.481 -0.426 19 HG1 THR 4 1HG THR 4 -9.451 -2.174 -1.274 20 HG21 THR 4 3HG2 THR 4 -7.958 -4.001 1.367 21 HG22 THR 4 1HG2 THR 4 -9.053 -4.137 -0.009 22 HG23 THR 4 2HG2 THR 4 -9.550 -3.244 1.430 23 H PHE 5 H PHE 5 -7.857 0.299 -0.388 24 HA PHE 5 HA PHE 5 -5.080 1.183 -0.606 25 HB2 PHE 5 2HB PHE 5 -7.260 1.304 -2.527 26 HB3 PHE 5 1HB PHE 5 -5.547 1.365 -2.922 27 HD1 PHE 5 1HD PHE 5 -4.648 -0.839 -1.336 28 HD2 PHE 5 2HD PHE 5 -8.072 -0.559 -3.787 29 HE1 PHE 5 1HE PHE 5 -4.635 -3.108 -1.574 30 HE2 PHE 5 2HE PHE 5 -8.048 -3.032 -4.015 31 HZ PHE 5 HZ PHE 5 -6.254 -4.292 -2.820 32 HA PRO 6 HA PRO 6 -8.049 4.996 -0.104 33 HB2 PRO 6 2HB PRO 6 -7.764 5.541 2.509 34 HB3 PRO 6 1HB PRO 6 -9.005 4.483 1.862 35 HG2 PRO 6 2HG PRO 6 -6.457 3.756 3.066 36 HG3 PRO 6 1HG PRO 6 -8.070 3.096 3.319 37 HD2 PRO 6 2HD PRO 6 -6.305 1.903 1.684 38 HD3 PRO 6 1HD PRO 6 -8.016 1.852 1.348 39 H GLU 7 H GLU 7 -7.333 7.060 -0.092 40 HA GLU 7 HA GLU 7 -4.727 7.483 -0.904 41 HB2 GLU 7 2HB GLU 7 -6.728 9.485 0.146 42 HB3 GLU 7 1HB GLU 7 -5.316 9.858 -0.828 43 HG2 GLU 7 2HG GLU 7 -6.225 9.006 -2.746 44 HG3 GLU 7 1HG GLU 7 -7.297 7.911 -1.874 45 H GLN 8 H GLN 8 -6.147 7.872 2.300 46 HA GLN 8 HA GLN 8 -4.152 9.285 3.597 47 HB2 GLN 8 2HB GLN 8 -5.224 6.949 5.061 48 HB3 GLN 8 1HB GLN 8 -5.161 8.640 5.541 49 HG2 GLN 8 2HG GLN 8 -6.983 8.919 3.720 50 HG3 GLN 8 1HG GLN 8 -7.203 7.190 3.939 51 HE21 GLN 8 1HE2 GLN 8 -7.489 10.321 5.407 52 HE22 GLN 8 2HE2 GLN 8 -8.468 9.819 6.746 53 H THR 9 H THR 9 -4.441 5.769 3.371 54 HA THR 9 HA THR 9 -1.933 5.254 4.452 55 HB THR 9 HB THR 9 -2.411 2.930 3.733 56 HG1 THR 9 1HG THR 9 -3.999 2.570 2.390 57 HG21 THR 9 3HG2 THR 9 -3.069 3.709 5.942 58 HG22 THR 9 1HG2 THR 9 -4.273 2.593 5.297 59 HG23 THR 9 2HG2 THR 9 -4.576 4.330 5.270 60 H ILE 10 H ILE 10 -3.256 5.508 1.324 61 HA ILE 10 HA ILE 10 -1.257 4.507 -0.272 62 HB ILE 10 HB ILE 10 -3.179 6.756 -0.657 63 HG12 ILE 10 2HG1 ILE 10 -2.873 4.065 -1.983 64 HG13 ILE 10 1HG1 ILE 10 -3.998 4.439 -0.678 65 HG21 ILE 10 1HG2 ILE 10 -1.180 7.336 -1.908 66 HG22 ILE 10 2HG2 ILE 10 -2.501 6.892 -2.986 67 HG23 ILE 10 3HG2 ILE 10 -1.194 5.751 -2.676 68 HD11 ILE 10 3HD1 ILE 10 -3.976 5.710 -3.385 69 HD12 ILE 10 1HD1 ILE 10 -5.106 6.047 -2.076 70 HD13 ILE 10 2HD1 ILE 10 -5.088 4.455 -2.835 71 H LYS 11 H LYS 11 -1.701 7.822 0.838 72 HA LYS 11 HA LYS 11 0.723 8.644 -0.287 73 HB2 LYS 11 2HB LYS 11 -0.979 9.950 1.806 74 HB3 LYS 11 1HB LYS 11 0.343 10.742 0.959 75 HG2 LYS 11 2HG LYS 11 -0.795 10.622 -1.109 76 HG3 LYS 11 1HG LYS 11 -2.001 9.501 -0.452 77 HD2 LYS 11 2HD LYS 11 -2.866 11.812 -0.695 78 HD3 LYS 11 1HD LYS 11 -2.876 11.258 0.980 79 HE2 LYS 11 2HE LYS 11 -0.808 12.484 1.402 80 HE3 LYS 11 1HE LYS 11 -0.777 13.023 -0.276 81 HZ1 LYS 11 3HZ LYS 11 -1.675 14.682 1.297 82 HZ2 LYS 11 1HZ LYS 11 -2.977 13.640 1.624 83 HZ3 LYS 11 2HZ LYS 11 -2.761 14.273 0.062 84 H GLN 12 H GLN 12 -0.070 7.314 2.845 85 HA GLN 12 HA GLN 12 2.323 7.944 4.113 86 HB2 GLN 12 2HB GLN 12 0.074 6.002 4.356 87 HB3 GLN 12 1HB GLN 12 1.485 5.807 5.340 88 HG2 GLN 12 2HG GLN 12 1.232 8.038 6.218 89 HG3 GLN 12 1HG GLN 12 -0.183 8.203 5.213 90 HE21 GLN 12 1HE2 GLN 12 -2.057 7.142 5.715 91 HE22 GLN 12 2HE2 GLN 12 -2.323 6.416 7.254 92 H LEU 13 H LEU 13 1.376 5.379 1.921 93 HA LEU 13 HA LEU 13 3.735 3.830 2.497 94 HB2 LEU 13 2HB LEU 13 1.450 3.343 0.610 95 HB3 LEU 13 1HB LEU 13 2.725 2.214 0.989 96 HG LEU 13 HG LEU 13 0.735 3.320 2.905 97 HD11 LEU 13 1HD1 LEU 13 -0.280 1.693 1.439 98 HD12 LEU 13 2HD1 LEU 13 -0.084 0.994 3.046 99 HD13 LEU 13 3HD1 LEU 13 1.028 0.554 1.751 100 HD21 LEU 13 3HD2 LEU 13 2.801 2.982 4.056 101 HD22 LEU 13 1HD2 LEU 13 2.989 1.375 3.349 102 HD23 LEU 13 2HD2 LEU 13 1.694 1.685 4.509 103 H MET 14 H MET 14 2.202 5.567 -0.190 104 HA MET 14 HA MET 14 4.356 5.482 -1.931 105 HB2 MET 14 2HB MET 14 2.130 7.372 -1.348 106 HB3 MET 14 1HB MET 14 3.303 7.695 -2.620 107 HG2 MET 14 2HG MET 14 1.260 6.652 -3.385 108 HG3 MET 14 1HG MET 14 2.681 5.737 -3.758 109 HE1 MET 14 3HE MET 14 3.369 3.803 -1.648 110 HE2 MET 14 1HE MET 14 2.901 3.206 -3.240 111 HE3 MET 14 2HE MET 14 2.214 2.476 -1.788 112 H ASP 15 H ASP 15 3.802 7.196 0.985 113 HA ASP 15 HA ASP 15 5.757 9.211 0.805 114 HB2 ASP 15 2HB ASP 15 4.055 9.309 2.493 115 HB3 ASP 15 1HB ASP 15 4.579 7.783 3.191 116 H LEU 16 H LEU 16 5.978 5.746 1.666 117 HA LEU 16 HA LEU 16 8.547 5.609 2.570 118 HB2 LEU 16 2HB LEU 16 6.561 4.079 1.030 119 HB3 LEU 16 1HB LEU 16 8.172 3.461 1.082 120 HG LEU 16 HG LEU 16 8.071 3.088 3.336 121 HD11 LEU 16 1HD1 LEU 16 7.167 5.171 4.115 122 HD12 LEU 16 2HD1 LEU 16 6.266 3.825 4.815 123 HD13 LEU 16 3HD1 LEU 16 5.589 4.733 3.462 124 HD21 LEU 16 3HD2 LEU 16 5.387 2.481 2.197 125 HD22 LEU 16 1HD2 LEU 16 6.035 1.750 3.668 126 HD23 LEU 16 2HD2 LEU 16 6.822 1.457 2.116 127 H GLY 17 H GLY 17 7.357 6.548 -0.484 128 HA2 GLY 17 2HA GLY 17 8.899 7.607 -2.081 129 HA3 GLY 17 1HA GLY 17 10.018 6.285 -1.751 130 H PHE 18 H PHE 18 7.034 5.053 -1.635 131 HA PHE 18 HA PHE 18 7.412 3.621 -4.092 132 HB2 PHE 18 2HB PHE 18 5.563 3.368 -1.746 133 HB3 PHE 18 1HB PHE 18 5.544 2.237 -3.075 134 HD1 PHE 18 2HD PHE 18 8.288 1.878 -3.798 135 HD2 PHE 18 1HD PHE 18 6.473 2.398 -0.037 136 HE1 PHE 18 2HE PHE 18 10.180 0.723 -2.710 137 HE2 PHE 18 1HE PHE 18 8.262 1.308 1.006 138 HZ PHE 18 HZ PHE 18 10.131 0.467 -0.259 139 HA PRO 19 HA PRO 19 4.206 5.698 -6.386 140 HB2 PRO 19 2HB PRO 19 3.671 3.916 -8.242 141 HB3 PRO 19 1HB PRO 19 5.318 4.535 -8.100 142 HG2 PRO 19 2HG PRO 19 4.204 2.028 -6.932 143 HG3 PRO 19 1HG PRO 19 5.584 2.260 -8.007 144 HD2 PRO 19 2HD PRO 19 5.913 2.131 -5.333 145 HD3 PRO 19 1HD PRO 19 6.914 3.189 -6.345 146 H ARG 20 H ARG 20 2.010 5.432 -7.075 147 HA ARG 20 HA ARG 20 0.235 4.612 -5.056 148 HB2 ARG 20 2HB ARG 20 -0.370 6.314 -6.648 149 HB3 ARG 20 1HB ARG 20 -0.134 5.218 -7.991 150 HG2 ARG 20 2HG ARG 20 -2.010 3.911 -7.322 151 HG3 ARG 20 1HG ARG 20 -2.236 4.920 -5.905 152 HD2 ARG 20 2HD ARG 20 -2.454 6.868 -7.546 153 HD3 ARG 20 1HD ARG 20 -2.617 5.633 -8.793 154 HE ARG 20 HE ARG 20 -4.481 5.983 -6.528 155 HH11 ARG 20 1HH1 ARG 20 -3.788 4.922 -9.797 156 HH12 ARG 20 2HH1 ARG 20 -5.464 4.704 -10.215 157 HH21 ARG 20 1HH2 ARG 20 -6.664 5.705 -7.067 158 HH22 ARG 20 2HH2 ARG 20 -7.109 5.162 -8.655 159 H ASP 21 H ASP 21 1.239 3.203 -8.050 160 HA ASP 21 HA ASP 21 -0.195 0.872 -8.254 161 HB2 ASP 21 2HB ASP 21 1.319 1.465 -9.981 162 HB3 ASP 21 1HB ASP 21 2.681 1.519 -8.873 163 H ALA 22 H ALA 22 2.425 1.611 -6.039 164 HA ALA 22 HA ALA 22 2.870 -1.086 -5.226 165 HB1 ALA 22 1HB ALA 22 3.667 1.446 -3.807 166 HB2 ALA 22 2HB ALA 22 4.608 0.639 -5.062 167 HB3 ALA 22 3HB ALA 22 4.313 -0.171 -3.524 168 H VAL 23 H VAL 23 0.744 1.517 -4.046 169 HA VAL 23 HA VAL 23 0.120 0.260 -1.588 170 HB VAL 23 HB VAL 23 -0.583 2.675 -2.714 171 HG11 VAL 23 1HG1 VAL 23 -2.385 1.613 -3.952 172 HG12 VAL 23 2HG1 VAL 23 -2.991 2.780 -2.770 173 HG13 VAL 23 3HG1 VAL 23 -3.090 1.045 -2.434 174 HG21 VAL 23 3HG2 VAL 23 -0.295 2.216 -0.357 175 HG22 VAL 23 1HG2 VAL 23 -1.814 1.306 -0.341 176 HG23 VAL 23 2HG2 VAL 23 -1.827 3.042 -0.657 177 H VAL 24 H VAL 24 -1.306 0.262 -4.734 178 HA VAL 24 HA VAL 24 -3.368 -1.473 -3.987 179 HB VAL 24 HB VAL 24 -2.277 -0.580 -6.624 180 HG11 VAL 24 1HG1 VAL 24 -3.025 -2.877 -6.990 181 HG12 VAL 24 2HG1 VAL 24 -4.179 -1.752 -7.714 182 HG13 VAL 24 3HG1 VAL 24 -4.549 -2.533 -6.172 183 HG21 VAL 24 3HG2 VAL 24 -3.569 1.018 -5.422 184 HG22 VAL 24 1HG2 VAL 24 -4.831 -0.169 -5.077 185 HG23 VAL 24 2HG2 VAL 24 -4.586 0.408 -6.731 186 H LYS 25 H LYS 25 -0.248 -2.232 -5.578 187 HA LYS 25 HA LYS 25 -0.797 -4.972 -5.923 188 HB2 LYS 25 2HB LYS 25 1.746 -3.415 -5.542 189 HB3 LYS 25 1HB LYS 25 1.772 -5.168 -5.660 190 HG2 LYS 25 2HG LYS 25 0.920 -5.119 -7.866 191 HG3 LYS 25 1HG LYS 25 0.545 -3.395 -7.750 192 HD2 LYS 25 2HD LYS 25 2.850 -2.823 -7.652 193 HD3 LYS 25 1HD LYS 25 3.324 -4.516 -7.500 194 HE2 LYS 25 2HE LYS 25 2.667 -4.983 -9.736 195 HE3 LYS 25 1HE LYS 25 1.888 -3.407 -9.898 196 HZ1 LYS 25 3HZ LYS 25 4.092 -3.534 -10.971 197 HZ2 LYS 25 1HZ LYS 25 4.797 -3.793 -9.451 198 HZ3 LYS 25 2HZ LYS 25 3.996 -2.335 -9.779 199 H ALA 26 H ALA 26 0.418 -3.124 -3.190 200 HA ALA 26 HA ALA 26 1.191 -5.549 -1.795 201 HB1 ALA 26 1HB ALA 26 1.247 -2.678 -0.874 202 HB2 ALA 26 2HB ALA 26 2.587 -3.550 -1.622 203 HB3 ALA 26 3HB ALA 26 1.983 -4.050 -0.041 204 H LEU 27 H LEU 27 -1.211 -3.002 -1.505 205 HA LEU 27 HA LEU 27 -2.275 -4.053 0.904 206 HB2 LEU 27 2HB LEU 27 -3.289 -2.070 -1.099 207 HB3 LEU 27 1HB LEU 27 -4.147 -2.457 0.368 208 HG LEU 27 HG LEU 27 -2.722 -0.333 0.235 209 HD11 LEU 27 1HD1 LEU 27 -2.337 -2.242 2.503 210 HD12 LEU 27 2HD1 LEU 27 -3.727 -1.180 2.276 211 HD13 LEU 27 3HD1 LEU 27 -2.130 -0.493 2.585 212 HD21 LEU 27 3HD2 LEU 27 -0.432 -0.527 0.871 213 HD22 LEU 27 1HD2 LEU 27 -0.749 -1.341 -0.663 214 HD23 LEU 27 2HD2 LEU 27 -0.572 -2.288 0.812 215 H LYS 28 H LYS 28 -2.813 -4.535 -2.529 216 HA LYS 28 HA LYS 28 -5.148 -6.038 -2.388 217 HB2 LYS 28 2HB LYS 28 -2.888 -5.927 -4.255 218 HB3 LYS 28 1HB LYS 28 -3.831 -7.413 -4.279 219 HG2 LYS 28 2HG LYS 28 -5.806 -6.280 -4.850 220 HG3 LYS 28 1HG LYS 28 -5.109 -4.702 -4.454 221 HD2 LYS 28 2HD LYS 28 -5.157 -4.979 -6.851 222 HD3 LYS 28 1HD LYS 28 -3.492 -5.008 -6.258 223 HE2 LYS 28 2HE LYS 28 -3.449 -7.427 -6.391 224 HE3 LYS 28 1HE LYS 28 -5.139 -7.452 -6.893 225 HZ1 LYS 28 3HZ LYS 28 -3.716 -7.726 -8.789 226 HZ2 LYS 28 1HZ LYS 28 -2.862 -6.306 -8.420 227 HZ3 LYS 28 2HZ LYS 28 -4.487 -6.221 -8.897 228 H GLN 29 H GLN 29 -1.729 -7.191 -1.988 229 HA GLN 29 HA GLN 29 -2.695 -9.860 -1.617 230 HB2 GLN 29 2HB GLN 29 -0.353 -10.355 -1.252 231 HB3 GLN 29 1HB GLN 29 -0.598 -9.407 -2.668 232 HG2 GLN 29 2HG GLN 29 -0.027 -7.423 -1.122 233 HG3 GLN 29 1HG GLN 29 0.715 -8.691 -0.154 234 HE21 GLN 29 1HE2 GLN 29 1.900 -6.478 -1.692 235 HE22 GLN 29 2HE2 GLN 29 3.021 -7.207 -2.776 236 H THR 30 H THR 30 -1.719 -7.253 0.448 237 HA THR 30 HA THR 30 -1.879 -8.825 2.867 238 HB THR 30 HB THR 30 -1.541 -6.618 3.964 239 HG1 THR 30 1HG THR 30 -1.078 -5.558 1.396 240 HG21 THR 30 3HG2 THR 30 0.360 -8.051 3.319 241 HG22 THR 30 1HG2 THR 30 0.767 -6.339 3.192 242 HG23 THR 30 2HG2 THR 30 0.392 -7.268 1.736 243 H ASN 31 H ASN 31 -4.048 -7.268 0.879 244 HA ASN 31 HA ASN 31 -6.205 -6.662 0.971 245 HB2 ASN 31 2HB ASN 31 -6.190 -8.143 3.613 246 HB3 ASN 31 1HB ASN 31 -7.638 -7.555 2.807 247 HD21 ASN 31 1HD2 ASN 31 -6.955 -8.240 0.148 248 HD22 ASN 31 2HD2 ASN 31 -6.933 -9.964 0.028 249 H GLY 32 H GLY 32 -4.580 -4.617 1.481 250 HA2 GLY 32 2HA GLY 32 -5.055 -2.469 1.968 251 HA3 GLY 32 1HA GLY 32 -6.498 -2.999 2.810 252 H ASN 33 H ASN 33 -4.014 -4.649 4.452 253 HA ASN 33 HA ASN 33 -4.159 -2.590 6.427 254 HB2 ASN 33 2HB ASN 33 -3.375 -4.202 7.967 255 HB3 ASN 33 1HB ASN 33 -4.605 -4.926 6.986 256 HD21 ASN 33 1HD2 ASN 33 -2.309 -5.079 4.896 257 HD22 ASN 33 2HD2 ASN 33 -1.542 -6.555 5.346 258 H ALA 34 H ALA 34 -2.851 -0.993 6.490 259 HA ALA 34 HA ALA 34 -1.038 -0.612 4.474 260 HB1 ALA 34 1HB ALA 34 -1.167 0.958 7.029 261 HB2 ALA 34 2HB ALA 34 -2.241 1.172 5.647 262 HB3 ALA 34 3HB ALA 34 -0.517 1.507 5.483 263 H GLU 35 H GLU 35 -0.138 -1.085 7.896 264 HA GLU 35 HA GLU 35 2.492 -0.717 7.609 265 HB2 GLU 35 2HB GLU 35 0.741 -1.342 9.550 266 HB3 GLU 35 1HB GLU 35 1.748 -2.755 9.484 267 HG2 GLU 35 2HG GLU 35 2.959 -0.095 9.576 268 HG3 GLU 35 1HG GLU 35 2.279 -0.777 11.025 269 H PHE 36 H PHE 36 0.661 -3.517 7.566 270 HA PHE 36 HA PHE 36 2.685 -5.402 7.098 271 HB2 PHE 36 2HB PHE 36 -0.290 -5.313 6.890 272 HB3 PHE 36 1HB PHE 36 0.541 -6.709 6.246 273 HD1 PHE 36 1HD PHE 36 0.958 -4.553 9.214 274 HD2 PHE 36 2HD PHE 36 0.436 -8.503 7.755 275 HE1 PHE 36 1HE PHE 36 1.112 -5.354 11.434 276 HE2 PHE 36 2HE PHE 36 0.590 -9.359 10.064 277 HZ PHE 36 HZ PHE 36 0.931 -7.778 11.933 278 H ALA 37 H ALA 37 0.650 -3.491 5.000 279 HA ALA 37 HA ALA 37 1.220 -4.930 2.627 280 HB1 ALA 37 1HB ALA 37 -0.760 -3.573 2.927 281 HB2 ALA 37 2HB ALA 37 0.180 -3.025 1.539 282 HB3 ALA 37 3HB ALA 37 0.243 -2.130 3.056 283 H ALA 38 H ALA 38 2.455 -1.954 4.038 284 HA ALA 38 HA ALA 38 4.231 -1.229 2.041 285 HB1 ALA 38 1HB ALA 38 5.398 0.034 3.792 286 HB2 ALA 38 2HB ALA 38 4.444 -0.808 5.014 287 HB3 ALA 38 3HB ALA 38 3.652 0.261 3.857 288 H SER 39 H SER 39 4.577 -3.454 4.744 289 HA SER 39 HA SER 39 7.422 -3.639 4.465 290 HB2 SER 39 2HB SER 39 5.479 -5.323 6.074 291 HB3 SER 39 1HB SER 39 7.235 -5.310 6.259 292 HG SER 39 HG SER 39 5.332 -3.395 7.015 293 H LEU 40 H LEU 40 4.607 -5.008 3.231 294 HA LEU 40 HA LEU 40 5.798 -7.425 2.255 295 HB2 LEU 40 2HB LEU 40 3.347 -6.839 2.985 296 HB3 LEU 40 1HB LEU 40 3.217 -6.257 1.351 297 HG LEU 40 HG LEU 40 2.324 -8.478 1.384 298 HD11 LEU 40 1HD1 LEU 40 5.131 -8.668 0.304 299 HD12 LEU 40 2HD1 LEU 40 3.725 -8.049 -0.564 300 HD13 LEU 40 3HD1 LEU 40 3.789 -9.745 -0.089 301 HD21 LEU 40 3HD2 LEU 40 3.277 -9.169 3.513 302 HD22 LEU 40 1HD2 LEU 40 4.865 -9.330 2.759 303 HD23 LEU 40 2HD2 LEU 40 3.545 -10.393 2.271 304 H LEU 41 H LEU 41 4.807 -4.189 1.057 305 HA LEU 41 HA LEU 41 5.345 -4.847 -1.632 306 HB2 LEU 41 2HB LEU 41 4.865 -2.645 -2.164 307 HB3 LEU 41 1HB LEU 41 3.824 -3.063 -0.821 308 HG LEU 41 HG LEU 41 5.477 -1.864 0.658 309 HD11 LEU 41 1HD1 LEU 41 6.933 -0.294 -0.373 310 HD12 LEU 41 2HD1 LEU 41 6.410 -0.827 -1.973 311 HD13 LEU 41 3HD1 LEU 41 7.289 -1.935 -0.913 312 HD21 LEU 41 3HD2 LEU 41 3.327 -0.958 0.060 313 HD22 LEU 41 1HD2 LEU 41 3.986 -0.346 -1.458 314 HD23 LEU 41 2HD2 LEU 41 4.548 0.318 0.079 315 H PHE 42 H PHE 42 7.196 -3.856 1.031 316 HA PHE 42 HA PHE 42 9.509 -2.859 -0.001 317 HB2 PHE 42 2HB PHE 42 8.692 -4.223 2.424 318 HB3 PHE 42 1HB PHE 42 10.387 -4.480 2.036 319 HD1 PHE 42 1HD PHE 42 7.823 -1.998 2.147 320 HD2 PHE 42 2HD PHE 42 11.918 -2.800 2.738 321 HE1 PHE 42 1HE PHE 42 8.125 0.258 2.905 322 HE2 PHE 42 2HE PHE 42 12.272 -0.490 3.551 323 HZ PHE 42 HZ PHE 42 10.353 1.069 3.636 324 H GLN 43 H GLN 43 8.144 -5.963 -0.487 325 HA GLN 43 HA GLN 43 10.441 -7.538 -0.826 326 HB2 GLN 43 2HB GLN 43 8.968 -9.172 -1.206 327 HB3 GLN 43 1HB GLN 43 7.722 -7.975 -0.927 328 HG2 GLN 43 2HG GLN 43 8.874 -8.301 -3.649 329 HG3 GLN 43 1HG GLN 43 7.708 -9.477 -3.072 330 HE21 GLN 43 1HE2 GLN 43 6.003 -7.605 -1.675 331 HE22 GLN 43 2HE2 GLN 43 5.222 -6.638 -2.880 332 H SER 44 H SER 44 9.116 -5.100 -2.770 333 HA SER 44 HA SER 44 10.853 -5.896 -5.009 334 HB2 SER 44 2HB SER 44 9.465 -4.277 -6.365 335 HB3 SER 44 1HB SER 44 8.576 -5.678 -5.763 336 HG SER 44 HG SER 44 8.648 -3.333 -4.225 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -15.984 4.459 0.464 2 H2 GLY 1 2HT GLY 1 -14.333 4.093 0.617 3 H3 GLY 1 3HT GLY 1 -15.494 3.009 1.198 4 HA2 GLY 1 1HA GLY 1 -16.278 2.582 -1.038 5 HA3 GLY 1 2HA GLY 1 -15.093 3.730 -1.654 6 H SER 2 H SER 2 -12.921 3.155 -1.727 7 HA SER 2 HA SER 2 -12.409 0.289 -1.543 8 HB2 SER 2 2HB SER 2 -10.211 0.939 -2.614 9 HB3 SER 2 1HB SER 2 -11.640 1.329 -3.572 10 HG SER 2 HG SER 2 -10.283 3.144 -1.857 11 H ALA 3 H ALA 3 -12.283 -0.105 0.654 12 HA ALA 3 HA ALA 3 -10.801 1.629 2.405 13 HB1 ALA 3 1HB ALA 3 -12.846 0.512 3.148 14 HB2 ALA 3 2HB ALA 3 -11.471 0.087 4.166 15 HB3 ALA 3 3HB ALA 3 -12.058 -1.054 2.957 16 H THR 4 H THR 4 -9.794 -0.652 0.271 17 HA THR 4 HA THR 4 -7.732 -1.775 1.911 18 HB THR 4 HB THR 4 -7.069 -2.904 -0.291 19 HG1 THR 4 1HG THR 4 -9.735 -2.338 -1.029 20 HG21 THR 4 3HG2 THR 4 -8.801 -4.599 -0.036 21 HG22 THR 4 1HG2 THR 4 -9.780 -3.481 0.915 22 HG23 THR 4 2HG2 THR 4 -8.236 -4.059 1.545 23 H PHE 5 H PHE 5 -7.999 0.212 -0.708 24 HA PHE 5 HA PHE 5 -5.205 1.057 -0.687 25 HB2 PHE 5 2HB PHE 5 -7.206 1.162 -2.797 26 HB3 PHE 5 1HB PHE 5 -5.467 1.246 -3.044 27 HD1 PHE 5 1HD PHE 5 -4.732 -0.914 -1.307 28 HD2 PHE 5 2HD PHE 5 -7.826 -0.727 -4.166 29 HE1 PHE 5 1HE PHE 5 -4.663 -3.182 -1.493 30 HE2 PHE 5 2HE PHE 5 -7.752 -3.210 -4.332 31 HZ PHE 5 HZ PHE 5 -6.104 -4.418 -2.878 32 HA PRO 6 HA PRO 6 -8.089 4.931 -0.458 33 HB2 PRO 6 2HB PRO 6 -8.053 5.452 2.172 34 HB3 PRO 6 1HB PRO 6 -9.250 4.426 1.406 35 HG2 PRO 6 2HG PRO 6 -6.849 3.633 2.843 36 HG3 PRO 6 1HG PRO 6 -8.496 3.023 2.945 37 HD2 PRO 6 2HD PRO 6 -6.626 1.775 1.476 38 HD3 PRO 6 1HD PRO 6 -8.300 1.776 0.989 39 H GLU 7 H GLU 7 -7.320 7.016 -0.137 40 HA GLU 7 HA GLU 7 -4.636 7.332 -0.773 41 HB2 GLU 7 2HB GLU 7 -6.721 9.286 0.180 42 HB3 GLU 7 1HB GLU 7 -5.121 9.773 -0.342 43 HG2 GLU 7 2HG GLU 7 -5.516 8.909 -2.549 44 HG3 GLU 7 1HG GLU 7 -7.073 8.254 -2.043 45 H GLN 8 H GLN 8 -6.251 7.443 2.348 46 HA GLN 8 HA GLN 8 -4.339 8.541 3.956 47 HB2 GLN 8 2HB GLN 8 -6.600 7.501 4.517 48 HB3 GLN 8 1HB GLN 8 -5.752 5.982 4.671 49 HG2 GLN 8 2HG GLN 8 -5.985 6.874 6.804 50 HG3 GLN 8 1HG GLN 8 -4.337 7.184 6.306 51 HE21 GLN 8 1HE2 GLN 8 -6.351 8.512 8.112 52 HE22 GLN 8 2HE2 GLN 8 -6.252 10.179 7.689 53 H THR 9 H THR 9 -4.539 5.068 3.111 54 HA THR 9 HA THR 9 -2.049 4.484 4.236 55 HB THR 9 HB THR 9 -2.478 2.253 3.153 56 HG1 THR 9 1HG THR 9 -4.415 1.938 2.167 57 HG21 THR 9 3HG2 THR 9 -3.002 2.701 5.492 58 HG22 THR 9 1HG2 THR 9 -4.220 1.651 4.763 59 HG23 THR 9 2HG2 THR 9 -4.562 3.362 5.007 60 H ILE 10 H ILE 10 -3.309 4.908 1.083 61 HA ILE 10 HA ILE 10 -1.225 4.256 -0.538 62 HB ILE 10 HB ILE 10 -3.128 6.564 -0.749 63 HG12 ILE 10 2HG1 ILE 10 -3.025 3.872 -2.112 64 HG13 ILE 10 1HG1 ILE 10 -4.146 4.348 -0.841 65 HG21 ILE 10 1HG2 ILE 10 -2.486 6.697 -3.099 66 HG22 ILE 10 2HG2 ILE 10 -1.222 5.503 -2.810 67 HG23 ILE 10 3HG2 ILE 10 -1.143 7.076 -2.021 68 HD11 ILE 10 3HD1 ILE 10 -3.948 5.601 -3.548 69 HD12 ILE 10 1HD1 ILE 10 -5.087 6.033 -2.278 70 HD13 ILE 10 2HD1 ILE 10 -5.171 4.440 -3.031 71 H LYS 11 H LYS 11 -1.849 7.427 0.873 72 HA LYS 11 HA LYS 11 0.595 8.392 -0.124 73 HB2 LYS 11 2HB LYS 11 -1.274 9.591 1.892 74 HB3 LYS 11 1HB LYS 11 0.089 10.438 1.176 75 HG2 LYS 11 2HG LYS 11 -0.890 10.410 -0.961 76 HG3 LYS 11 1HG LYS 11 -2.091 9.201 -0.473 77 HD2 LYS 11 2HD LYS 11 -3.146 10.826 0.997 78 HD3 LYS 11 1HD LYS 11 -1.909 12.019 0.606 79 HE2 LYS 11 2HE LYS 11 -3.801 10.793 -1.396 80 HE3 LYS 11 1HE LYS 11 -4.053 12.350 -0.613 81 HZ1 LYS 11 3HZ LYS 11 -3.084 12.612 -2.804 82 HZ2 LYS 11 1HZ LYS 11 -1.757 11.648 -2.370 83 HZ3 LYS 11 2HZ LYS 11 -2.002 13.146 -1.612 84 H GLN 12 H GLN 12 -0.294 6.930 2.924 85 HA GLN 12 HA GLN 12 1.983 7.583 4.343 86 HB2 GLN 12 2HB GLN 12 -0.189 5.602 4.352 87 HB3 GLN 12 1HB GLN 12 1.280 5.085 5.135 88 HG2 GLN 12 2HG GLN 12 -0.414 7.456 5.787 89 HG3 GLN 12 1HG GLN 12 -0.089 6.047 6.794 90 HE21 GLN 12 1HE2 GLN 12 1.187 8.989 5.490 91 HE22 GLN 12 2HE2 GLN 12 2.549 9.117 6.538 92 H LEU 13 H LEU 13 1.343 5.065 1.987 93 HA LEU 13 HA LEU 13 3.814 3.734 2.580 94 HB2 LEU 13 2HB LEU 13 1.660 3.087 0.591 95 HB3 LEU 13 1HB LEU 13 2.996 2.059 1.042 96 HG LEU 13 HG LEU 13 0.817 2.998 2.839 97 HD11 LEU 13 1HD1 LEU 13 0.170 0.636 2.937 98 HD12 LEU 13 2HD1 LEU 13 1.446 0.245 1.784 99 HD13 LEU 13 3HD1 LEU 13 0.092 1.259 1.288 100 HD21 LEU 13 3HD2 LEU 13 3.177 1.227 3.426 101 HD22 LEU 13 1HD2 LEU 13 1.816 1.496 4.515 102 HD23 LEU 13 2HD2 LEU 13 2.872 2.839 4.077 103 H MET 14 H MET 14 2.206 5.358 -0.148 104 HA MET 14 HA MET 14 4.391 5.436 -1.852 105 HB2 MET 14 2HB MET 14 2.007 7.131 -1.312 106 HB3 MET 14 1HB MET 14 3.149 7.554 -2.577 107 HG2 MET 14 2HG MET 14 1.239 6.330 -3.372 108 HG3 MET 14 1HG MET 14 2.728 5.501 -3.684 109 HE1 MET 14 3HE MET 14 3.460 3.652 -1.452 110 HE2 MET 14 1HE MET 14 3.106 3.012 -3.057 111 HE3 MET 14 2HE MET 14 2.389 2.259 -1.632 112 H ASP 15 H ASP 15 3.657 7.120 1.041 113 HA ASP 15 HA ASP 15 5.446 9.275 0.905 114 HB2 ASP 15 2HB ASP 15 3.735 9.212 2.572 115 HB3 ASP 15 1HB ASP 15 4.372 7.721 3.259 116 H LEU 16 H LEU 16 5.991 5.827 1.865 117 HA LEU 16 HA LEU 16 8.585 6.097 2.758 118 HB2 LEU 16 2HB LEU 16 6.973 4.095 1.321 119 HB3 LEU 16 1HB LEU 16 8.642 3.812 1.620 120 HG LEU 16 HG LEU 16 7.622 2.801 3.317 121 HD11 LEU 16 1HD1 LEU 16 9.406 4.160 4.173 122 HD12 LEU 16 2HD1 LEU 16 8.103 4.072 5.360 123 HD13 LEU 16 3HD1 LEU 16 8.289 5.514 4.357 124 HD21 LEU 16 3HD2 LEU 16 5.420 3.625 2.893 125 HD22 LEU 16 1HD2 LEU 16 5.844 5.138 3.683 126 HD23 LEU 16 2HD2 LEU 16 5.794 3.640 4.618 127 H GLY 17 H GLY 17 7.246 6.577 -0.329 128 HA2 GLY 17 2HA GLY 17 8.673 7.847 -1.925 129 HA3 GLY 17 1HA GLY 17 9.909 6.631 -1.613 130 H PHE 18 H PHE 18 6.977 5.191 -1.491 131 HA PHE 18 HA PHE 18 7.532 3.706 -3.867 132 HB2 PHE 18 2HB PHE 18 5.496 3.499 -1.688 133 HB3 PHE 18 1HB PHE 18 5.640 2.309 -2.960 134 HD1 PHE 18 2HD PHE 18 8.561 2.136 -3.322 135 HD2 PHE 18 1HD PHE 18 6.149 2.511 0.075 136 HE1 PHE 18 2HE PHE 18 10.318 1.066 -1.948 137 HE2 PHE 18 1HE PHE 18 7.796 1.505 1.423 138 HZ PHE 18 HZ PHE 18 9.891 0.766 0.465 139 HA PRO 19 HA PRO 19 4.404 5.317 -6.568 140 HB2 PRO 19 2HB PRO 19 3.903 3.223 -8.066 141 HB3 PRO 19 1HB PRO 19 5.564 3.813 -7.965 142 HG2 PRO 19 2HG PRO 19 4.311 1.626 -6.372 143 HG3 PRO 19 1HG PRO 19 5.729 1.585 -7.423 144 HD2 PRO 19 2HD PRO 19 5.990 1.998 -4.753 145 HD3 PRO 19 1HD PRO 19 7.045 2.816 -5.937 146 H ARG 20 H ARG 20 2.216 4.873 -7.319 147 HA ARG 20 HA ARG 20 0.433 4.481 -5.127 148 HB2 ARG 20 2HB ARG 20 -0.135 6.044 -6.863 149 HB3 ARG 20 1HB ARG 20 0.071 4.832 -8.108 150 HG2 ARG 20 2HG ARG 20 -1.847 3.643 -7.343 151 HG3 ARG 20 1HG ARG 20 -2.031 4.761 -6.007 152 HD2 ARG 20 2HD ARG 20 -2.246 6.592 -7.736 153 HD3 ARG 20 1HD ARG 20 -2.371 5.311 -8.939 154 HE ARG 20 HE ARG 20 -4.392 6.133 -7.042 155 HH11 ARG 20 1HH1 ARG 20 -3.287 3.598 -9.200 156 HH12 ARG 20 2HH1 ARG 20 -4.843 2.822 -9.290 157 HH21 ARG 20 1HH2 ARG 20 -6.436 5.135 -7.184 158 HH22 ARG 20 2HH2 ARG 20 -6.637 3.700 -8.138 159 H ASP 21 H ASP 21 1.409 2.732 -7.935 160 HA ASP 21 HA ASP 21 -0.240 0.504 -7.864 161 HB2 ASP 21 2HB ASP 21 2.675 0.688 -8.652 162 HB3 ASP 21 1HB ASP 21 1.646 -0.702 -8.977 163 H ALA 22 H ALA 22 2.424 1.377 -5.797 164 HA ALA 22 HA ALA 22 2.934 -1.249 -4.825 165 HB1 ALA 22 1HB ALA 22 4.318 -0.188 -3.149 166 HB2 ALA 22 2HB ALA 22 3.652 1.390 -3.568 167 HB3 ALA 22 3HB ALA 22 4.635 0.508 -4.738 168 H VAL 23 H VAL 23 0.808 1.426 -3.769 169 HA VAL 23 HA VAL 23 0.075 0.186 -1.331 170 HB VAL 23 HB VAL 23 -0.544 2.606 -2.449 171 HG11 VAL 23 1HG1 VAL 23 -3.083 1.004 -2.371 172 HG12 VAL 23 2HG1 VAL 23 -2.283 1.611 -3.827 173 HG13 VAL 23 3HG1 VAL 23 -2.952 2.746 -2.648 174 HG21 VAL 23 3HG2 VAL 23 -1.915 2.951 -0.473 175 HG22 VAL 23 1HG2 VAL 23 -0.423 2.089 -0.090 176 HG23 VAL 23 2HG2 VAL 23 -1.961 1.209 -0.204 177 H VAL 24 H VAL 24 -1.233 0.191 -4.522 178 HA VAL 24 HA VAL 24 -3.375 -1.449 -3.815 179 HB VAL 24 HB VAL 24 -2.160 -0.658 -6.426 180 HG11 VAL 24 1HG1 VAL 24 -2.947 -2.931 -6.799 181 HG12 VAL 24 2HG1 VAL 24 -4.066 -1.799 -7.564 182 HG13 VAL 24 3HG1 VAL 24 -4.487 -2.556 -6.023 183 HG21 VAL 24 3HG2 VAL 24 -4.747 -0.125 -4.982 184 HG22 VAL 24 1HG2 VAL 24 -4.453 0.371 -6.653 185 HG23 VAL 24 2HG2 VAL 24 -3.450 1.013 -5.352 186 H LYS 25 H LYS 25 -0.236 -2.362 -5.244 187 HA LYS 25 HA LYS 25 -0.972 -5.073 -5.555 188 HB2 LYS 25 2HB LYS 25 1.736 -3.786 -5.205 189 HB3 LYS 25 1HB LYS 25 1.499 -5.483 -5.602 190 HG2 LYS 25 2HG LYS 25 0.491 -4.936 -7.689 191 HG3 LYS 25 1HG LYS 25 0.440 -3.223 -7.277 192 HD2 LYS 25 2HD LYS 25 2.269 -3.665 -8.806 193 HD3 LYS 25 1HD LYS 25 2.887 -3.174 -7.227 194 HE2 LYS 25 2HE LYS 25 3.397 -5.459 -6.662 195 HE3 LYS 25 1HE LYS 25 2.629 -6.035 -8.141 196 HZ1 LYS 25 3HZ LYS 25 5.014 -5.999 -8.388 197 HZ2 LYS 25 1HZ LYS 25 5.071 -4.350 -7.987 198 HZ3 LYS 25 2HZ LYS 25 4.315 -4.852 -9.419 199 H ALA 26 H ALA 26 0.340 -3.242 -2.833 200 HA ALA 26 HA ALA 26 0.987 -5.646 -1.385 201 HB1 ALA 26 1HB ALA 26 1.114 -2.745 -0.583 202 HB2 ALA 26 2HB ALA 26 2.447 -3.700 -1.233 203 HB3 ALA 26 3HB ALA 26 1.760 -4.100 0.342 204 H LEU 27 H LEU 27 -1.331 -2.972 -1.209 205 HA LEU 27 HA LEU 27 -2.526 -3.958 1.155 206 HB2 LEU 27 2HB LEU 27 -3.448 -2.017 -0.942 207 HB3 LEU 27 1HB LEU 27 -4.372 -2.366 0.494 208 HG LEU 27 HG LEU 27 -2.930 -0.233 0.378 209 HD11 LEU 27 1HD1 LEU 27 -2.487 -0.323 2.749 210 HD12 LEU 27 2HD1 LEU 27 -2.611 -2.081 2.714 211 HD13 LEU 27 3HD1 LEU 27 -4.034 -1.092 2.396 212 HD21 LEU 27 3HD2 LEU 27 -0.836 -2.214 1.063 213 HD22 LEU 27 1HD2 LEU 27 -0.672 -0.459 1.136 214 HD23 LEU 27 2HD2 LEU 27 -0.938 -1.264 -0.417 215 H LYS 28 H LYS 28 -2.864 -4.550 -2.267 216 HA LYS 28 HA LYS 28 -5.203 -6.044 -2.290 217 HB2 LYS 28 2HB LYS 28 -2.843 -5.867 -3.982 218 HB3 LYS 28 1HB LYS 28 -3.579 -7.465 -3.990 219 HG2 LYS 28 2HG LYS 28 -5.596 -6.664 -4.835 220 HG3 LYS 28 1HG LYS 28 -5.222 -4.998 -4.391 221 HD2 LYS 28 2HD LYS 28 -4.987 -5.254 -6.770 222 HD3 LYS 28 1HD LYS 28 -3.404 -4.999 -6.028 223 HE2 LYS 28 2HE LYS 28 -2.902 -7.350 -6.184 224 HE3 LYS 28 1HE LYS 28 -4.528 -7.696 -6.770 225 HZ1 LYS 28 3HZ LYS 28 -2.529 -6.017 -8.192 226 HZ2 LYS 28 1HZ LYS 28 -4.073 -6.436 -8.755 227 HZ3 LYS 28 2HZ LYS 28 -2.891 -7.633 -8.562 228 H GLN 29 H GLN 29 -1.836 -7.273 -1.637 229 HA GLN 29 HA GLN 29 -2.875 -9.914 -1.393 230 HB2 GLN 29 2HB GLN 29 -0.698 -10.520 -1.232 231 HB3 GLN 29 1HB GLN 29 -0.521 -9.005 -2.051 232 HG2 GLN 29 2HG GLN 29 -0.471 -8.770 0.803 233 HG3 GLN 29 1HG GLN 29 0.778 -9.795 0.171 234 HE21 GLN 29 1HE2 GLN 29 1.044 -8.324 -2.326 235 HE22 GLN 29 2HE2 GLN 29 1.824 -6.839 -1.894 236 H THR 30 H THR 30 -2.001 -7.373 0.809 237 HA THR 30 HA THR 30 -2.389 -8.940 3.188 238 HB THR 30 HB THR 30 -2.042 -6.740 4.310 239 HG1 THR 30 1HG THR 30 -1.325 -5.656 1.820 240 HG21 THR 30 3HG2 THR 30 -0.151 -8.228 3.797 241 HG22 THR 30 1HG2 THR 30 0.316 -6.529 3.674 242 HG23 THR 30 2HG2 THR 30 0.001 -7.466 2.212 243 H ASN 31 H ASN 31 -4.363 -7.285 1.072 244 HA ASN 31 HA ASN 31 -6.486 -6.588 1.019 245 HB2 ASN 31 2HB ASN 31 -6.658 -8.208 3.554 246 HB3 ASN 31 1HB ASN 31 -8.043 -7.334 2.908 247 HD21 ASN 31 1HD2 ASN 31 -5.988 -10.070 2.576 248 HD22 ASN 31 2HD2 ASN 31 -6.842 -10.818 1.273 249 H GLY 32 H GLY 32 -4.831 -4.623 1.600 250 HA2 GLY 32 2HA GLY 32 -5.270 -2.458 1.991 251 HA3 GLY 32 1HA GLY 32 -6.782 -2.917 2.745 252 H ASN 33 H ASN 33 -4.054 -4.429 4.396 253 HA ASN 33 HA ASN 33 -4.382 -2.329 6.336 254 HB2 ASN 33 2HB ASN 33 -3.958 -3.779 8.039 255 HB3 ASN 33 1HB ASN 33 -4.878 -4.737 6.904 256 HD21 ASN 33 1HD2 ASN 33 -3.695 -5.947 5.450 257 HD22 ASN 33 2HD2 ASN 33 -2.278 -6.795 5.986 258 H ALA 34 H ALA 34 -2.790 -1.042 6.979 259 HA ALA 34 HA ALA 34 -1.006 -0.464 4.952 260 HB1 ALA 34 1HB ALA 34 -0.207 1.338 6.334 261 HB2 ALA 34 2HB ALA 34 -0.906 0.580 7.764 262 HB3 ALA 34 3HB ALA 34 -1.957 1.187 6.485 263 H GLU 35 H GLU 35 0.050 -1.438 8.248 264 HA GLU 35 HA GLU 35 2.632 -1.211 7.712 265 HB2 GLU 35 2HB GLU 35 1.224 -2.853 9.722 266 HB3 GLU 35 1HB GLU 35 2.952 -2.641 9.695 267 HG2 GLU 35 2HG GLU 35 0.963 -0.455 9.880 268 HG3 GLU 35 1HG GLU 35 1.837 -1.165 11.207 269 H PHE 36 H PHE 36 0.639 -3.918 7.416 270 HA PHE 36 HA PHE 36 2.601 -5.848 6.834 271 HB2 PHE 36 2HB PHE 36 -0.357 -5.607 6.589 272 HB3 PHE 36 1HB PHE 36 0.422 -6.953 5.789 273 HD1 PHE 36 1HD PHE 36 0.920 -5.176 8.979 274 HD2 PHE 36 2HD PHE 36 0.199 -8.910 7.091 275 HE1 PHE 36 1HE PHE 36 1.018 -6.220 11.097 276 HE2 PHE 36 2HE PHE 36 0.294 -10.021 9.295 277 HZ PHE 36 HZ PHE 36 0.704 -8.672 11.326 278 H ALA 37 H ALA 37 0.622 -3.731 4.863 279 HA ALA 37 HA ALA 37 1.264 -4.998 2.417 280 HB1 ALA 37 1HB ALA 37 0.220 -3.050 1.443 281 HB2 ALA 37 2HB ALA 37 0.264 -2.237 3.008 282 HB3 ALA 37 3HB ALA 37 -0.734 -3.677 2.788 283 H ALA 38 H ALA 38 2.465 -2.132 4.070 284 HA ALA 38 HA ALA 38 4.282 -1.262 2.170 285 HB1 ALA 38 1HB ALA 38 5.424 -0.122 3.992 286 HB2 ALA 38 2HB ALA 38 4.518 -1.074 5.166 287 HB3 ALA 38 3HB ALA 38 3.677 0.067 4.119 288 H SER 39 H SER 39 4.539 -3.744 4.638 289 HA SER 39 HA SER 39 7.391 -3.914 4.424 290 HB2 SER 39 2HB SER 39 5.388 -5.729 5.794 291 HB3 SER 39 1HB SER 39 7.140 -5.790 6.000 292 HG SER 39 HG SER 39 5.291 -3.883 6.917 293 H LEU 40 H LEU 40 4.590 -5.204 2.946 294 HA LEU 40 HA LEU 40 5.888 -7.434 1.742 295 HB2 LEU 40 2HB LEU 40 3.254 -6.400 2.155 296 HB3 LEU 40 1HB LEU 40 3.533 -6.605 0.476 297 HG LEU 40 HG LEU 40 2.482 -8.606 1.364 298 HD11 LEU 40 1HD1 LEU 40 4.112 -10.293 0.651 299 HD12 LEU 40 2HD1 LEU 40 5.378 -9.065 0.668 300 HD13 LEU 40 3HD1 LEU 40 4.034 -8.930 -0.465 301 HD21 LEU 40 3HD2 LEU 40 3.265 -8.361 3.675 302 HD22 LEU 40 1HD2 LEU 40 4.892 -8.812 3.167 303 HD23 LEU 40 2HD2 LEU 40 3.574 -9.978 3.044 304 H LEU 41 H LEU 41 4.796 -4.136 0.887 305 HA LEU 41 HA LEU 41 5.370 -4.491 -1.849 306 HB2 LEU 41 2HB LEU 41 4.767 -2.268 -2.139 307 HB3 LEU 41 1HB LEU 41 3.750 -2.883 -0.853 308 HG LEU 41 HG LEU 41 5.380 -1.791 0.746 309 HD11 LEU 41 1HD1 LEU 41 6.207 -0.461 -1.784 310 HD12 LEU 41 2HD1 LEU 41 7.164 -1.569 -0.799 311 HD13 LEU 41 3HD1 LEU 41 6.692 0.004 -0.152 312 HD21 LEU 41 3HD2 LEU 41 3.169 -0.933 0.305 313 HD22 LEU 41 1HD2 LEU 41 3.767 -0.097 -1.126 314 HD23 LEU 41 2HD2 LEU 41 4.330 0.388 0.475 315 H PHE 42 H PHE 42 7.126 -3.672 0.926 316 HA PHE 42 HA PHE 42 9.411 -2.464 0.108 317 HB2 PHE 42 2HB PHE 42 8.581 -4.051 2.342 318 HB3 PHE 42 1HB PHE 42 10.258 -4.392 1.933 319 HD1 PHE 42 1HD PHE 42 7.844 -1.808 2.420 320 HD2 PHE 42 2HD PHE 42 11.935 -2.834 2.633 321 HE1 PHE 42 1HE PHE 42 8.316 0.346 3.386 322 HE2 PHE 42 2HE PHE 42 12.452 -0.642 3.657 323 HZ PHE 42 HZ PHE 42 10.621 0.977 4.040 324 H GLN 43 H GLN 43 8.244 -5.575 -0.770 325 HA GLN 43 HA GLN 43 10.647 -6.943 -1.327 326 HB2 GLN 43 2HB GLN 43 9.374 -8.534 -2.379 327 HB3 GLN 43 1HB GLN 43 8.127 -7.731 -1.440 328 HG2 GLN 43 2HG GLN 43 8.352 -6.399 -3.942 329 HG3 GLN 43 1HG GLN 43 8.260 -8.134 -4.239 330 HE21 GLN 43 1HE2 GLN 43 6.601 -5.328 -3.156 331 HE22 GLN 43 2HE2 GLN 43 5.045 -6.053 -2.948 332 H SER 44 H SER 44 9.288 -4.243 -2.788 333 HA SER 44 HA SER 44 10.650 -4.558 -5.326 334 HB2 SER 44 2HB SER 44 9.178 -2.149 -4.228 335 HB3 SER 44 1HB SER 44 9.631 -2.433 -5.909 336 HG SER 44 HG SER 44 7.407 -2.946 -5.389 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -12.861 -1.852 -6.494 2 H2 GLY 1 2HT GLY 1 -13.884 -3.117 -6.029 3 H3 GLY 1 3HT GLY 1 -12.329 -3.456 -6.615 4 HA2 GLY 1 1HA GLY 1 -12.404 -3.704 -4.219 5 HA3 GLY 1 2HA GLY 1 -11.335 -2.393 -4.699 6 H SER 2 H SER 2 -12.392 -2.566 -2.134 7 HA SER 2 HA SER 2 -14.257 -0.287 -2.130 8 HB2 SER 2 2HB SER 2 -14.201 -2.584 -0.151 9 HB3 SER 2 1HB SER 2 -15.295 -1.200 -0.103 10 HG SER 2 HG SER 2 -15.467 -3.496 -1.550 11 H ALA 3 H ALA 3 -12.243 0.928 -2.100 12 HA ALA 3 HA ALA 3 -10.537 2.076 -1.140 13 HB1 ALA 3 1HB ALA 3 -12.225 1.736 1.332 14 HB2 ALA 3 2HB ALA 3 -12.400 3.005 0.120 15 HB3 ALA 3 3HB ALA 3 -10.941 2.925 1.108 16 H THR 4 H THR 4 -9.746 -0.417 -1.523 17 HA THR 4 HA THR 4 -8.637 -1.515 0.891 18 HB THR 4 HB THR 4 -7.930 -2.428 -1.862 19 HG1 THR 4 1HG THR 4 -10.129 -3.591 -0.568 20 HG21 THR 4 3HG2 THR 4 -6.783 -3.469 0.061 21 HG22 THR 4 1HG2 THR 4 -7.798 -4.623 -0.805 22 HG23 THR 4 2HG2 THR 4 -8.349 -3.939 0.723 23 H PHE 5 H PHE 5 -7.845 0.609 -1.396 24 HA PHE 5 HA PHE 5 -5.005 0.816 -0.691 25 HB2 PHE 5 2HB PHE 5 -6.368 1.277 -3.235 26 HB3 PHE 5 1HB PHE 5 -4.625 1.153 -3.051 27 HD1 PHE 5 1HD PHE 5 -4.430 -1.017 -1.368 28 HD2 PHE 5 2HD PHE 5 -7.038 -0.575 -4.632 29 HE1 PHE 5 1HE PHE 5 -4.586 -3.312 -1.506 30 HE2 PHE 5 2HE PHE 5 -7.213 -3.058 -4.759 31 HZ PHE 5 HZ PHE 5 -5.931 -4.399 -3.060 32 HA PRO 6 HA PRO 6 -7.683 4.843 -0.686 33 HB2 PRO 6 2HB PRO 6 -7.974 5.229 1.934 34 HB3 PRO 6 1HB PRO 6 -8.994 4.147 1.005 35 HG2 PRO 6 2HG PRO 6 -6.685 3.476 2.649 36 HG3 PRO 6 1HG PRO 6 -8.290 2.755 2.589 37 HD2 PRO 6 2HD PRO 6 -6.221 1.681 1.255 38 HD3 PRO 6 1HD PRO 6 -7.849 1.595 0.623 39 H GLU 7 H GLU 7 -7.215 6.970 0.243 40 HA GLU 7 HA GLU 7 -4.624 7.750 -0.285 41 HB2 GLU 7 2HB GLU 7 -6.445 9.312 1.519 42 HB3 GLU 7 1HB GLU 7 -5.265 9.918 0.382 43 HG2 GLU 7 2HG GLU 7 -7.260 10.362 -0.662 44 HG3 GLU 7 1HG GLU 7 -6.766 8.839 -1.389 45 H GLN 8 H GLN 8 -6.149 7.088 2.849 46 HA GLN 8 HA GLN 8 -4.217 7.820 4.621 47 HB2 GLN 8 2HB GLN 8 -6.231 6.814 5.404 48 HB3 GLN 8 1HB GLN 8 -5.900 5.320 4.543 49 HG2 GLN 8 2HG GLN 8 -3.935 4.978 5.992 50 HG3 GLN 8 1HG GLN 8 -4.422 6.392 6.898 51 HE21 GLN 8 1HE2 GLN 8 -7.305 5.719 6.623 52 HE22 GLN 8 2HE2 GLN 8 -7.565 4.400 7.709 53 H THR 9 H THR 9 -4.332 4.573 3.237 54 HA THR 9 HA THR 9 -1.783 3.840 3.984 55 HB THR 9 HB THR 9 -2.191 1.904 2.511 56 HG1 THR 9 1HG THR 9 -3.575 3.132 1.017 57 HG21 THR 9 3HG2 THR 9 -4.057 0.991 3.810 58 HG22 THR 9 1HG2 THR 9 -4.450 2.620 4.360 59 HG23 THR 9 2HG2 THR 9 -2.927 1.871 4.838 60 H ILE 10 H ILE 10 -3.153 5.123 1.132 61 HA ILE 10 HA ILE 10 -1.171 4.926 -0.732 62 HB ILE 10 HB ILE 10 -3.183 7.075 -0.144 63 HG12 ILE 10 2HG1 ILE 10 -3.896 4.974 -1.240 64 HG13 ILE 10 1HG1 ILE 10 -4.178 6.399 -2.233 65 HG21 ILE 10 1HG2 ILE 10 -1.257 8.268 -0.965 66 HG22 ILE 10 2HG2 ILE 10 -2.541 8.261 -2.172 67 HG23 ILE 10 3HG2 ILE 10 -1.155 7.187 -2.353 68 HD11 ILE 10 3HD1 ILE 10 -3.325 4.558 -3.546 69 HD12 ILE 10 1HD1 ILE 10 -1.903 4.471 -2.507 70 HD13 ILE 10 2HD1 ILE 10 -2.173 5.895 -3.515 71 H LYS 11 H LYS 11 -1.677 7.526 1.586 72 HA LYS 11 HA LYS 11 0.715 8.751 0.794 73 HB2 LYS 11 2HB LYS 11 -0.981 9.225 3.223 74 HB3 LYS 11 1HB LYS 11 0.303 10.292 2.680 75 HG2 LYS 11 2HG LYS 11 -0.893 10.876 0.727 76 HG3 LYS 11 1HG LYS 11 -2.084 9.589 0.998 77 HD2 LYS 11 2HD LYS 11 -2.962 10.712 2.906 78 HD3 LYS 11 1HD LYS 11 -1.621 11.858 2.937 79 HE2 LYS 11 2HE LYS 11 -2.394 12.785 0.797 80 HE3 LYS 11 1HE LYS 11 -3.753 11.660 0.813 81 HZ1 LYS 11 3HZ LYS 11 -4.661 12.700 2.703 82 HZ2 LYS 11 1HZ LYS 11 -4.224 13.964 1.658 83 HZ3 LYS 11 2HZ LYS 11 -3.250 13.599 2.999 84 H GLN 12 H GLN 12 -0.034 6.495 3.362 85 HA GLN 12 HA GLN 12 2.302 6.839 4.794 86 HB2 GLN 12 2HB GLN 12 0.175 4.803 4.391 87 HB3 GLN 12 1HB GLN 12 1.606 4.356 5.260 88 HG2 GLN 12 2HG GLN 12 1.284 6.142 6.822 89 HG3 GLN 12 1HG GLN 12 -0.119 6.623 5.910 90 HE21 GLN 12 1HE2 GLN 12 -1.992 5.468 6.033 91 HE22 GLN 12 2HE2 GLN 12 -2.269 4.286 7.261 92 H LEU 13 H LEU 13 1.559 4.950 1.949 93 HA LEU 13 HA LEU 13 4.060 3.554 2.115 94 HB2 LEU 13 2HB LEU 13 1.840 3.379 0.113 95 HB3 LEU 13 1HB LEU 13 3.203 2.300 0.247 96 HG LEU 13 HG LEU 13 1.074 2.713 2.279 97 HD11 LEU 13 1HD1 LEU 13 0.323 1.412 0.389 98 HD12 LEU 13 2HD1 LEU 13 0.512 0.367 1.798 99 HD13 LEU 13 3HD1 LEU 13 1.733 0.362 0.523 100 HD21 LEU 13 3HD2 LEU 13 2.137 0.911 3.541 101 HD22 LEU 13 1HD2 LEU 13 3.199 2.308 3.369 102 HD23 LEU 13 2HD2 LEU 13 3.453 0.877 2.369 103 H MET 14 H MET 14 2.303 5.755 -0.098 104 HA MET 14 HA MET 14 4.426 6.199 -1.839 105 HB2 MET 14 2HB MET 14 2.050 7.740 -0.898 106 HB3 MET 14 1HB MET 14 3.162 8.391 -2.098 107 HG2 MET 14 2HG MET 14 1.239 7.375 -3.072 108 HG3 MET 14 1HG MET 14 2.688 6.565 -3.556 109 HE1 MET 14 3HE MET 14 3.381 4.358 -1.738 110 HE2 MET 14 1HE MET 14 2.945 3.968 -3.401 111 HE3 MET 14 2HE MET 14 2.254 3.042 -2.069 112 H ASP 15 H ASP 15 3.736 7.247 1.351 113 HA ASP 15 HA ASP 15 5.435 9.408 1.734 114 HB2 ASP 15 2HB ASP 15 3.801 8.245 3.365 115 HB3 ASP 15 1HB ASP 15 5.150 7.183 3.724 116 H LEU 16 H LEU 16 6.140 5.859 1.948 117 HA LEU 16 HA LEU 16 8.831 6.315 2.721 118 HB2 LEU 16 2HB LEU 16 7.766 3.889 1.332 119 HB3 LEU 16 1HB LEU 16 9.062 4.000 2.489 120 HG LEU 16 HG LEU 16 6.204 4.516 3.134 121 HD11 LEU 16 1HD1 LEU 16 6.368 2.276 2.507 122 HD12 LEU 16 2HD1 LEU 16 6.271 2.343 4.265 123 HD13 LEU 16 3HD1 LEU 16 7.822 2.043 3.478 124 HD21 LEU 16 3HD2 LEU 16 8.599 4.112 4.915 125 HD22 LEU 16 1HD2 LEU 16 6.937 4.328 5.464 126 HD23 LEU 16 2HD2 LEU 16 7.768 5.643 4.634 127 H GLY 17 H GLY 17 7.324 6.909 -0.180 128 HA2 GLY 17 2HA GLY 17 8.646 8.005 -1.896 129 HA3 GLY 17 1HA GLY 17 9.903 6.808 -1.614 130 H PHE 18 H PHE 18 6.804 5.495 -1.540 131 HA PHE 18 HA PHE 18 7.411 4.034 -3.974 132 HB2 PHE 18 2HB PHE 18 5.412 3.604 -1.776 133 HB3 PHE 18 1HB PHE 18 5.701 2.470 -3.064 134 HD1 PHE 18 2HD PHE 18 8.554 2.375 -3.393 135 HD2 PHE 18 1HD PHE 18 6.175 2.804 0.030 136 HE1 PHE 18 2HE PHE 18 10.375 1.447 -2.001 137 HE2 PHE 18 1HE PHE 18 7.881 1.953 1.389 138 HZ PHE 18 HZ PHE 18 9.996 1.247 0.431 139 HA PRO 19 HA PRO 19 4.141 5.917 -6.318 140 HB2 PRO 19 2HB PRO 19 3.742 4.126 -8.191 141 HB3 PRO 19 1HB PRO 19 5.362 4.804 -8.002 142 HG2 PRO 19 2HG PRO 19 4.307 2.266 -6.846 143 HG3 PRO 19 1HG PRO 19 5.691 2.531 -7.906 144 HD2 PRO 19 2HD PRO 19 6.005 2.438 -5.230 145 HD3 PRO 19 1HD PRO 19 6.966 3.541 -6.237 146 H ARG 20 H ARG 20 1.964 5.494 -7.066 147 HA ARG 20 HA ARG 20 0.256 4.750 -4.968 148 HB2 ARG 20 2HB ARG 20 -0.521 6.303 -6.572 149 HB3 ARG 20 1HB ARG 20 -0.110 5.263 -7.910 150 HG2 ARG 20 2HG ARG 20 -1.891 3.749 -7.310 151 HG3 ARG 20 1HG ARG 20 -2.312 4.788 -5.956 152 HD2 ARG 20 2HD ARG 20 -2.829 6.604 -7.466 153 HD3 ARG 20 1HD ARG 20 -2.310 5.637 -8.840 154 HE ARG 20 HE ARG 20 -4.550 4.691 -7.194 155 HH11 ARG 20 1HH1 ARG 20 -3.355 6.000 -10.216 156 HH12 ARG 20 2HH1 ARG 20 -4.785 5.590 -11.112 157 HH21 ARG 20 1HH2 ARG 20 -6.450 4.174 -8.362 158 HH22 ARG 20 2HH2 ARG 20 -6.556 4.565 -10.053 159 H ASP 21 H ASP 21 1.214 3.123 -7.904 160 HA ASP 21 HA ASP 21 -0.449 0.885 -7.738 161 HB2 ASP 21 2HB ASP 21 2.284 1.229 -8.964 162 HB3 ASP 21 1HB ASP 21 1.362 -0.266 -9.105 163 H ALA 22 H ALA 22 2.388 1.681 -5.914 164 HA ALA 22 HA ALA 22 2.953 -0.982 -5.039 165 HB1 ALA 22 1HB ALA 22 4.687 0.740 -5.034 166 HB2 ALA 22 2HB ALA 22 4.454 0.051 -3.427 167 HB3 ALA 22 3HB ALA 22 3.791 1.641 -3.810 168 H VAL 23 H VAL 23 0.897 1.662 -3.874 169 HA VAL 23 HA VAL 23 0.255 0.536 -1.372 170 HB VAL 23 HB VAL 23 -0.434 2.852 -2.611 171 HG11 VAL 23 1HG1 VAL 23 -2.883 2.890 -2.794 172 HG12 VAL 23 2HG1 VAL 23 -2.872 1.131 -2.619 173 HG13 VAL 23 3HG1 VAL 23 -2.090 1.881 -4.010 174 HG21 VAL 23 3HG2 VAL 23 -0.410 2.695 -0.276 175 HG22 VAL 23 1HG2 VAL 23 -1.701 1.484 -0.278 176 HG23 VAL 23 2HG2 VAL 23 -2.062 3.149 -0.724 177 H VAL 24 H VAL 24 -1.130 0.313 -4.523 178 HA VAL 24 HA VAL 24 -3.227 -1.377 -3.784 179 HB VAL 24 HB VAL 24 -1.914 -0.797 -6.418 180 HG11 VAL 24 1HG1 VAL 24 -3.862 -1.968 -7.464 181 HG12 VAL 24 2HG1 VAL 24 -4.315 -2.562 -5.862 182 HG13 VAL 24 3HG1 VAL 24 -2.786 -3.058 -6.589 183 HG21 VAL 24 3HG2 VAL 24 -4.545 -0.041 -5.153 184 HG22 VAL 24 1HG2 VAL 24 -4.096 0.337 -6.820 185 HG23 VAL 24 2HG2 VAL 24 -3.169 1.014 -5.481 186 H LYS 25 H LYS 25 -0.032 -2.187 -5.103 187 HA LYS 25 HA LYS 25 -0.517 -4.922 -5.408 188 HB2 LYS 25 2HB LYS 25 2.045 -3.472 -4.712 189 HB3 LYS 25 1HB LYS 25 1.961 -5.164 -5.180 190 HG2 LYS 25 2HG LYS 25 1.222 -4.605 -7.367 191 HG3 LYS 25 1HG LYS 25 1.001 -2.910 -6.920 192 HD2 LYS 25 2HD LYS 25 3.416 -2.726 -6.506 193 HD3 LYS 25 1HD LYS 25 3.620 -4.406 -7.006 194 HE2 LYS 25 2HE LYS 25 2.728 -3.836 -9.223 195 HE3 LYS 25 1HE LYS 25 2.582 -2.153 -8.718 196 HZ1 LYS 25 3HZ LYS 25 5.130 -3.676 -8.807 197 HZ2 LYS 25 1HZ LYS 25 4.957 -2.025 -8.452 198 HZ3 LYS 25 2HZ LYS 25 4.607 -2.600 -10.010 199 H ALA 26 H ALA 26 0.428 -2.988 -2.609 200 HA ALA 26 HA ALA 26 1.276 -5.365 -1.178 201 HB1 ALA 26 1HB ALA 26 1.907 -3.760 0.575 202 HB2 ALA 26 2HB ALA 26 1.184 -2.460 -0.378 203 HB3 ALA 26 3HB ALA 26 2.589 -3.330 -0.994 204 H LEU 27 H LEU 27 -1.319 -3.041 -1.217 205 HA LEU 27 HA LEU 27 -2.438 -4.001 1.218 206 HB2 LEU 27 2HB LEU 27 -3.418 -2.137 -0.915 207 HB3 LEU 27 1HB LEU 27 -4.331 -2.482 0.533 208 HG LEU 27 HG LEU 27 -2.834 -0.326 0.288 209 HD11 LEU 27 1HD1 LEU 27 -2.815 -2.004 2.760 210 HD12 LEU 27 2HD1 LEU 27 -4.135 -0.951 2.253 211 HD13 LEU 27 3HD1 LEU 27 -2.571 -0.260 2.688 212 HD21 LEU 27 3HD2 LEU 27 -0.671 -0.547 1.189 213 HD22 LEU 27 1HD2 LEU 27 -0.862 -1.554 -0.250 214 HD23 LEU 27 2HD2 LEU 27 -0.903 -2.293 1.351 215 H LYS 28 H LYS 28 -2.938 -4.562 -2.244 216 HA LYS 28 HA LYS 28 -5.018 -6.347 -2.117 217 HB2 LYS 28 2HB LYS 28 -2.580 -6.339 -3.834 218 HB3 LYS 28 1HB LYS 28 -3.723 -7.632 -3.980 219 HG2 LYS 28 2HG LYS 28 -4.318 -4.708 -4.382 220 HG3 LYS 28 1HG LYS 28 -4.016 -5.888 -5.676 221 HD2 LYS 28 2HD LYS 28 -5.981 -6.476 -3.602 222 HD3 LYS 28 1HD LYS 28 -6.457 -5.345 -4.865 223 HE2 LYS 28 2HE LYS 28 -5.971 -7.042 -6.549 224 HE3 LYS 28 1HE LYS 28 -5.428 -8.155 -5.294 225 HZ1 LYS 28 3HZ LYS 28 -7.625 -8.245 -4.395 226 HZ2 LYS 28 1HZ LYS 28 -7.727 -8.568 -6.056 227 HZ3 LYS 28 2HZ LYS 28 -8.178 -7.047 -5.458 228 H GLN 29 H GLN 29 -1.562 -6.973 -1.391 229 HA GLN 29 HA GLN 29 -1.762 -9.680 -0.734 230 HB2 GLN 29 2HB GLN 29 -0.042 -7.407 0.025 231 HB3 GLN 29 1HB GLN 29 -0.016 -8.771 1.095 232 HG2 GLN 29 2HG GLN 29 1.772 -9.060 -0.310 233 HG3 GLN 29 1HG GLN 29 0.529 -10.133 -0.949 234 HE21 GLN 29 1HE2 GLN 29 2.157 -7.086 -1.339 235 HE22 GLN 29 2HE2 GLN 29 1.852 -6.920 -3.039 236 H THR 30 H THR 30 -2.213 -6.796 1.208 237 HA THR 30 HA THR 30 -2.621 -8.368 3.612 238 HB THR 30 HB THR 30 -2.243 -6.178 4.690 239 HG1 THR 30 1HG THR 30 -1.398 -5.058 2.286 240 HG21 THR 30 3HG2 THR 30 -0.347 -7.649 4.252 241 HG22 THR 30 1HG2 THR 30 0.127 -5.961 4.034 242 HG23 THR 30 2HG2 THR 30 -0.195 -6.980 2.626 243 H ASN 31 H ASN 31 -4.613 -7.436 1.358 244 HA ASN 31 HA ASN 31 -6.669 -6.564 1.086 245 HB2 ASN 31 2HB ASN 31 -6.928 -7.841 3.808 246 HB3 ASN 31 1HB ASN 31 -8.300 -7.112 2.979 247 HD21 ASN 31 1HD2 ASN 31 -6.021 -9.733 3.004 248 HD22 ASN 31 2HD2 ASN 31 -6.829 -10.705 1.822 249 H GLY 32 H GLY 32 -4.970 -4.575 1.577 250 HA2 GLY 32 2HA GLY 32 -5.255 -2.352 1.825 251 HA3 GLY 32 1HA GLY 32 -6.858 -2.659 2.451 252 H ASN 33 H ASN 33 -3.980 -3.952 4.241 253 HA ASN 33 HA ASN 33 -4.383 -1.682 6.015 254 HB2 ASN 33 2HB ASN 33 -4.134 -2.978 7.858 255 HB3 ASN 33 1HB ASN 33 -4.904 -4.092 6.759 256 HD21 ASN 33 1HD2 ASN 33 -2.547 -4.605 5.258 257 HD22 ASN 33 2HD2 ASN 33 -1.567 -5.638 6.241 258 H ALA 34 H ALA 34 -2.594 -0.597 6.937 259 HA ALA 34 HA ALA 34 -0.782 -0.222 4.771 260 HB1 ALA 34 1HB ALA 34 -0.225 1.871 5.773 261 HB2 ALA 34 2HB ALA 34 -0.958 1.375 7.299 262 HB3 ALA 34 3HB ALA 34 -1.968 1.625 5.875 263 H GLU 35 H GLU 35 -0.201 -1.293 8.108 264 HA GLU 35 HA GLU 35 2.479 -0.830 8.057 265 HB2 GLU 35 2HB GLU 35 0.665 -1.656 9.831 266 HB3 GLU 35 1HB GLU 35 1.562 -3.122 9.569 267 HG2 GLU 35 2HG GLU 35 3.114 -0.737 10.003 268 HG3 GLU 35 1HG GLU 35 2.128 -1.223 11.350 269 H PHE 36 H PHE 36 0.636 -3.553 7.587 270 HA PHE 36 HA PHE 36 2.630 -5.368 6.803 271 HB2 PHE 36 2HB PHE 36 -0.337 -5.195 6.680 272 HB3 PHE 36 1HB PHE 36 0.446 -6.466 5.763 273 HD1 PHE 36 1HD PHE 36 0.796 -4.854 9.060 274 HD2 PHE 36 2HD PHE 36 0.582 -8.516 6.923 275 HE1 PHE 36 1HE PHE 36 1.039 -6.022 11.103 276 HE2 PHE 36 2HE PHE 36 0.821 -9.753 9.047 277 HZ PHE 36 HZ PHE 36 1.052 -8.502 11.165 278 H ALA 37 H ALA 37 0.985 -2.842 5.216 279 HA ALA 37 HA ALA 37 1.206 -3.720 2.543 280 HB1 ALA 37 1HB ALA 37 0.774 -1.377 2.027 281 HB2 ALA 37 2HB ALA 37 1.067 -0.956 3.714 282 HB3 ALA 37 3HB ALA 37 -0.311 -1.970 3.284 283 H ALA 38 H ALA 38 3.108 -1.444 4.420 284 HA ALA 38 HA ALA 38 4.985 -0.820 2.489 285 HB1 ALA 38 1HB ALA 38 5.309 -0.873 5.482 286 HB2 ALA 38 2HB ALA 38 4.714 0.481 4.521 287 HB3 ALA 38 3HB ALA 38 6.383 -0.059 4.346 288 H SER 39 H SER 39 4.865 -3.391 4.882 289 HA SER 39 HA SER 39 7.572 -4.181 4.550 290 HB2 SER 39 2HB SER 39 5.223 -5.681 5.738 291 HB3 SER 39 1HB SER 39 6.928 -6.074 5.969 292 HG SER 39 HG SER 39 7.057 -4.583 7.444 293 H LEU 40 H LEU 40 4.522 -4.805 3.043 294 HA LEU 40 HA LEU 40 5.451 -7.156 1.673 295 HB2 LEU 40 2HB LEU 40 2.990 -6.050 2.321 296 HB3 LEU 40 1HB LEU 40 3.145 -5.757 0.624 297 HG LEU 40 HG LEU 40 2.042 -7.809 0.701 298 HD11 LEU 40 1HD1 LEU 40 4.973 -8.483 0.527 299 HD12 LEU 40 2HD1 LEU 40 3.940 -7.949 -0.801 300 HD13 LEU 40 3HD1 LEU 40 3.652 -9.510 -0.030 301 HD21 LEU 40 3HD2 LEU 40 2.282 -8.139 3.114 302 HD22 LEU 40 1HD2 LEU 40 3.946 -8.670 2.874 303 HD23 LEU 40 2HD2 LEU 40 2.614 -9.622 2.218 304 H LEU 41 H LEU 41 4.789 -3.710 0.976 305 HA LEU 41 HA LEU 41 5.237 -4.112 -1.790 306 HB2 LEU 41 2HB LEU 41 4.890 -1.827 -2.060 307 HB3 LEU 41 1HB LEU 41 3.808 -2.380 -0.798 308 HG LEU 41 HG LEU 41 5.456 -1.466 0.854 309 HD11 LEU 41 1HD1 LEU 41 7.013 0.180 0.063 310 HD12 LEU 41 2HD1 LEU 41 6.559 -0.191 -1.603 311 HD13 LEU 41 3HD1 LEU 41 7.343 -1.418 -0.606 312 HD21 LEU 41 3HD2 LEU 41 4.666 0.825 0.534 313 HD22 LEU 41 1HD2 LEU 41 3.388 -0.374 0.328 314 HD23 LEU 41 2HD2 LEU 41 4.122 0.385 -1.086 315 H PHE 42 H PHE 42 7.164 -3.496 0.927 316 HA PHE 42 HA PHE 42 9.444 -2.366 -0.056 317 HB2 PHE 42 2HB PHE 42 8.662 -3.793 2.296 318 HB3 PHE 42 1HB PHE 42 10.304 -4.231 1.832 319 HD1 PHE 42 1HD PHE 42 8.024 -1.540 2.321 320 HD2 PHE 42 2HD PHE 42 12.080 -2.694 2.292 321 HE1 PHE 42 1HE PHE 42 8.636 0.649 3.131 322 HE2 PHE 42 2HE PHE 42 12.740 -0.475 3.156 323 HZ PHE 42 HZ PHE 42 10.998 1.225 3.587 324 H GLN 43 H GLN 43 8.100 -5.473 -0.730 325 HA GLN 43 HA GLN 43 10.372 -7.043 -1.191 326 HB2 GLN 43 2HB GLN 43 8.975 -8.571 -2.182 327 HB3 GLN 43 1HB GLN 43 7.780 -7.593 -1.345 328 HG2 GLN 43 2HG GLN 43 8.205 -6.420 -3.884 329 HG3 GLN 43 1HG GLN 43 8.018 -8.156 -4.126 330 HE21 GLN 43 1HE2 GLN 43 6.509 -5.227 -3.096 331 HE22 GLN 43 2HE2 GLN 43 4.901 -5.843 -2.990 332 H SER 44 H SER 44 9.164 -4.401 -2.915 333 HA SER 44 HA SER 44 11.024 -4.912 -5.142 334 HB2 SER 44 2HB SER 44 8.608 -5.020 -5.805 335 HB3 SER 44 1HB SER 44 8.428 -3.348 -5.276 336 HG SER 44 HG SER 44 9.702 -2.669 -6.919 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 -17.633 -2.712 1.516 2 H2 GLY 1 2HT GLY 1 -18.057 -1.147 2.010 3 H3 GLY 1 3HT GLY 1 -18.358 -2.470 3.029 4 HA2 GLY 1 1HA GLY 1 -16.459 -1.344 3.869 5 HA3 GLY 1 2HA GLY 1 -15.944 -2.874 3.169 6 H SER 2 H SER 2 -14.699 -2.897 1.323 7 HA SER 2 HA SER 2 -13.162 -2.164 -0.162 8 HB2 SER 2 2HB SER 2 -14.942 0.285 -0.241 9 HB3 SER 2 1HB SER 2 -13.652 -0.068 -1.395 10 HG SER 2 HG SER 2 -16.089 -0.806 -1.643 11 H ALA 3 H ALA 3 -12.370 0.687 -0.506 12 HA ALA 3 HA ALA 3 -10.696 2.040 0.213 13 HB1 ALA 3 1HB ALA 3 -11.746 1.359 2.962 14 HB2 ALA 3 2HB ALA 3 -12.289 2.694 1.945 15 HB3 ALA 3 3HB ALA 3 -10.642 2.679 2.579 16 H THR 4 H THR 4 -9.789 -0.229 -0.604 17 HA THR 4 HA THR 4 -8.182 -1.552 1.382 18 HB THR 4 HB THR 4 -7.885 -2.208 -1.473 19 HG1 THR 4 1HG THR 4 -10.196 -3.141 -0.130 20 HG21 THR 4 3HG2 THR 4 -8.343 -3.885 0.996 21 HG22 THR 4 1HG2 THR 4 -6.789 -3.574 0.221 22 HG23 THR 4 2HG2 THR 4 -8.024 -4.510 -0.623 23 H PHE 5 H PHE 5 -7.937 0.645 -1.015 24 HA PHE 5 HA PHE 5 -5.028 0.992 -0.816 25 HB2 PHE 5 2HB PHE 5 -6.798 1.310 -3.115 26 HB3 PHE 5 1HB PHE 5 -5.044 1.215 -3.202 27 HD1 PHE 5 1HD PHE 5 -4.566 -0.959 -1.511 28 HD2 PHE 5 2HD PHE 5 -7.624 -0.552 -4.372 29 HE1 PHE 5 1HE PHE 5 -4.725 -3.242 -1.616 30 HE2 PHE 5 2HE PHE 5 -7.802 -3.032 -4.463 31 HZ PHE 5 HZ PHE 5 -6.292 -4.358 -2.969 32 HA PRO 6 HA PRO 6 -7.742 5.011 -0.798 33 HB2 PRO 6 2HB PRO 6 -7.994 5.533 1.793 34 HB3 PRO 6 1HB PRO 6 -9.036 4.401 0.954 35 HG2 PRO 6 2HG PRO 6 -6.690 3.824 2.583 36 HG3 PRO 6 1HG PRO 6 -8.299 3.111 2.605 37 HD2 PRO 6 2HD PRO 6 -6.263 1.951 1.286 38 HD3 PRO 6 1HD PRO 6 -7.908 1.822 0.710 39 H GLU 7 H GLU 7 -7.176 7.152 -0.125 40 HA GLU 7 HA GLU 7 -4.585 7.886 -0.594 41 HB2 GLU 7 2HB GLU 7 -6.633 9.386 1.051 42 HB3 GLU 7 1HB GLU 7 -5.247 10.083 0.230 43 HG2 GLU 7 2HG GLU 7 -6.156 9.710 -1.890 44 HG3 GLU 7 1HG GLU 7 -7.351 8.575 -1.267 45 H GLN 8 H GLN 8 -6.121 7.195 2.488 46 HA GLN 8 HA GLN 8 -4.288 7.868 4.382 47 HB2 GLN 8 2HB GLN 8 -6.415 6.179 4.170 48 HB3 GLN 8 1HB GLN 8 -5.123 5.073 4.540 49 HG2 GLN 8 2HG GLN 8 -4.533 6.464 6.474 50 HG3 GLN 8 1HG GLN 8 -5.965 7.439 6.182 51 HE21 GLN 8 1HE2 GLN 8 -7.570 5.123 5.363 52 HE22 GLN 8 2HE2 GLN 8 -7.932 4.266 6.828 53 H THR 9 H THR 9 -4.330 4.704 2.854 54 HA THR 9 HA THR 9 -1.787 3.999 3.721 55 HB THR 9 HB THR 9 -2.172 1.997 2.340 56 HG1 THR 9 1HG THR 9 -4.050 1.801 1.180 57 HG21 THR 9 3HG2 THR 9 -2.978 2.059 4.646 58 HG22 THR 9 1HG2 THR 9 -4.062 1.122 3.618 59 HG23 THR 9 2HG2 THR 9 -4.495 2.766 4.086 60 H ILE 10 H ILE 10 -3.211 5.296 0.970 61 HA ILE 10 HA ILE 10 -1.299 4.921 -1.014 62 HB ILE 10 HB ILE 10 -3.269 7.125 -0.482 63 HG12 ILE 10 2HG1 ILE 10 -4.096 5.013 -1.410 64 HG13 ILE 10 1HG1 ILE 10 -4.304 6.342 -2.543 65 HG21 ILE 10 1HG2 ILE 10 -1.353 8.227 -1.446 66 HG22 ILE 10 2HG2 ILE 10 -2.687 8.176 -2.595 67 HG23 ILE 10 3HG2 ILE 10 -1.329 7.067 -2.773 68 HD11 ILE 10 3HD1 ILE 10 -2.314 5.607 -3.746 69 HD12 ILE 10 1HD1 ILE 10 -3.552 4.350 -3.673 70 HD13 ILE 10 2HD1 ILE 10 -2.144 4.266 -2.610 71 H LYS 11 H LYS 11 -1.744 7.663 1.116 72 HA LYS 11 HA LYS 11 0.728 8.786 0.400 73 HB2 LYS 11 2HB LYS 11 -1.102 9.435 2.681 74 HB3 LYS 11 1HB LYS 11 0.247 10.433 2.155 75 HG2 LYS 11 2HG LYS 11 -0.796 10.780 0.013 76 HG3 LYS 11 1HG LYS 11 -2.112 9.679 0.446 77 HD2 LYS 11 2HD LYS 11 -2.969 11.862 0.768 78 HD3 LYS 11 1HD LYS 11 -2.581 11.270 2.383 79 HE2 LYS 11 2HE LYS 11 -0.747 13.016 0.747 80 HE3 LYS 11 1HE LYS 11 -1.900 13.641 1.922 81 HZ1 LYS 11 3HZ LYS 11 -0.746 12.306 3.633 82 HZ2 LYS 11 1HZ LYS 11 0.253 13.477 2.924 83 HZ3 LYS 11 2HZ LYS 11 0.410 11.853 2.479 84 H GLN 12 H GLN 12 -0.225 6.548 2.915 85 HA GLN 12 HA GLN 12 2.003 7.012 4.530 86 HB2 GLN 12 2HB GLN 12 -0.103 4.963 4.196 87 HB3 GLN 12 1HB GLN 12 1.300 4.549 5.117 88 HG2 GLN 12 2HG GLN 12 -0.686 6.703 5.652 89 HG3 GLN 12 1HG GLN 12 -0.303 5.306 6.653 90 HE21 GLN 12 1HE2 GLN 12 0.642 8.484 5.687 91 HE22 GLN 12 2HE2 GLN 12 1.864 8.724 6.886 92 H LEU 13 H LEU 13 1.444 5.073 1.678 93 HA LEU 13 HA LEU 13 3.940 3.669 2.060 94 HB2 LEU 13 2HB LEU 13 1.868 3.339 -0.071 95 HB3 LEU 13 1HB LEU 13 3.251 2.306 0.211 96 HG LEU 13 HG LEU 13 0.917 2.734 1.991 97 HD11 LEU 13 1HD1 LEU 13 0.618 0.311 1.732 98 HD12 LEU 13 2HD1 LEU 13 2.000 0.274 0.635 99 HD13 LEU 13 3HD1 LEU 13 0.539 1.158 0.186 100 HD21 LEU 13 3HD2 LEU 13 2.872 2.666 3.385 101 HD22 LEU 13 1HD2 LEU 13 3.434 1.202 2.573 102 HD23 LEU 13 2HD2 LEU 13 1.968 1.161 3.556 103 H MET 14 H MET 14 2.326 5.859 -0.222 104 HA MET 14 HA MET 14 4.540 6.402 -1.800 105 HB2 MET 14 2HB MET 14 2.269 8.101 -0.803 106 HB3 MET 14 1HB MET 14 3.429 8.623 -2.013 107 HG2 MET 14 2HG MET 14 1.112 6.997 -2.322 108 HG3 MET 14 1HG MET 14 2.145 7.747 -3.480 109 HE1 MET 14 3HE MET 14 0.589 4.717 -2.654 110 HE2 MET 14 1HE MET 14 1.701 4.549 -1.299 111 HE3 MET 14 2HE MET 14 1.787 3.418 -2.652 112 H ASP 15 H ASP 15 3.701 7.305 1.400 113 HA ASP 15 HA ASP 15 5.634 9.233 1.987 114 HB2 ASP 15 2HB ASP 15 3.841 8.705 3.526 115 HB3 ASP 15 1HB ASP 15 4.459 7.073 3.747 116 H LEU 16 H LEU 16 5.905 5.595 2.126 117 HA LEU 16 HA LEU 16 8.572 5.475 2.770 118 HB2 LEU 16 2HB LEU 16 6.662 3.922 1.152 119 HB3 LEU 16 1HB LEU 16 8.318 3.472 1.194 120 HG LEU 16 HG LEU 16 7.413 2.195 2.768 121 HD11 LEU 16 1HD1 LEU 16 8.175 2.990 4.948 122 HD12 LEU 16 2HD1 LEU 16 8.319 4.612 4.266 123 HD13 LEU 16 3HD1 LEU 16 9.349 3.308 3.672 124 HD21 LEU 16 3HD2 LEU 16 5.241 3.160 2.731 125 HD22 LEU 16 1HD2 LEU 16 5.812 4.493 3.727 126 HD23 LEU 16 2HD2 LEU 16 5.763 2.857 4.388 127 H GLY 17 H GLY 17 6.971 6.294 -0.217 128 HA2 GLY 17 2HA GLY 17 8.167 7.840 -1.710 129 HA3 GLY 17 1HA GLY 17 9.589 6.834 -1.468 130 H PHE 18 H PHE 18 6.578 5.192 -1.747 131 HA PHE 18 HA PHE 18 7.561 3.953 -4.171 132 HB2 PHE 18 2HB PHE 18 5.391 3.345 -2.198 133 HB3 PHE 18 1HB PHE 18 5.718 2.321 -3.572 134 HD1 PHE 18 2HD PHE 18 8.656 2.468 -3.747 135 HD2 PHE 18 1HD PHE 18 6.014 2.188 -0.525 136 HE1 PHE 18 2HE PHE 18 10.433 1.443 -2.371 137 HE2 PHE 18 1HE PHE 18 7.674 1.218 0.827 138 HZ PHE 18 HZ PHE 18 9.892 0.839 -0.044 139 HA PRO 19 HA PRO 19 4.186 5.517 -6.728 140 HB2 PRO 19 2HB PRO 19 3.560 3.493 -8.280 141 HB3 PRO 19 1HB PRO 19 5.207 4.125 -8.321 142 HG2 PRO 19 2HG PRO 19 4.183 1.804 -6.755 143 HG3 PRO 19 1HG PRO 19 5.497 1.890 -7.928 144 HD2 PRO 19 2HD PRO 19 5.981 2.136 -5.281 145 HD3 PRO 19 1HD PRO 19 6.909 3.049 -6.491 146 H ARG 20 H ARG 20 2.008 5.215 -7.214 147 HA ARG 20 HA ARG 20 0.323 4.600 -5.040 148 HB2 ARG 20 2HB ARG 20 -0.334 6.237 -6.648 149 HB3 ARG 20 1HB ARG 20 -0.118 5.127 -7.977 150 HG2 ARG 20 2HG ARG 20 -2.016 3.848 -7.284 151 HG3 ARG 20 1HG ARG 20 -2.221 4.889 -5.881 152 HD2 ARG 20 2HD ARG 20 -2.504 6.814 -7.413 153 HD3 ARG 20 1HD ARG 20 -2.420 5.699 -8.771 154 HE ARG 20 HE ARG 20 -4.454 4.839 -7.040 155 HH11 ARG 20 1HH1 ARG 20 -3.696 7.469 -9.226 156 HH12 ARG 20 2HH1 ARG 20 -5.364 7.822 -9.584 157 HH21 ARG 20 1HH2 ARG 20 -6.655 5.295 -7.526 158 HH22 ARG 20 2HH2 ARG 20 -7.034 6.566 -8.646 159 H ASP 21 H ASP 21 1.156 2.975 -7.983 160 HA ASP 21 HA ASP 21 -0.553 0.764 -7.840 161 HB2 ASP 21 2HB ASP 21 2.226 0.964 -9.022 162 HB3 ASP 21 1HB ASP 21 1.119 -0.379 -9.296 163 H ALA 22 H ALA 22 2.310 1.533 -6.039 164 HA ALA 22 HA ALA 22 2.889 -1.132 -5.181 165 HB1 ALA 22 1HB ALA 22 4.613 0.595 -5.155 166 HB2 ALA 22 2HB ALA 22 4.378 -0.102 -3.553 167 HB3 ALA 22 3HB ALA 22 3.709 1.485 -3.929 168 H VAL 23 H VAL 23 0.851 1.504 -3.956 169 HA VAL 23 HA VAL 23 0.209 0.298 -1.487 170 HB VAL 23 HB VAL 23 -0.512 2.663 -2.722 171 HG11 VAL 23 1HG1 VAL 23 -2.983 2.665 -2.708 172 HG12 VAL 23 2HG1 VAL 23 -2.922 0.904 -2.542 173 HG13 VAL 23 3HG1 VAL 23 -2.253 1.676 -3.983 174 HG21 VAL 23 3HG2 VAL 23 -2.222 2.663 -0.675 175 HG22 VAL 23 1HG2 VAL 23 -0.468 2.885 -0.489 176 HG23 VAL 23 2HG2 VAL 23 -1.204 1.297 -0.224 177 H VAL 24 H VAL 24 -1.151 0.189 -4.653 178 HA VAL 24 HA VAL 24 -3.274 -1.479 -3.951 179 HB VAL 24 HB VAL 24 -2.018 -0.749 -6.562 180 HG11 VAL 24 1HG1 VAL 24 -3.950 -1.899 -7.667 181 HG12 VAL 24 2HG1 VAL 24 -4.344 -2.632 -6.107 182 HG13 VAL 24 3HG1 VAL 24 -2.815 -3.012 -6.899 183 HG21 VAL 24 3HG2 VAL 24 -4.652 -0.174 -5.215 184 HG22 VAL 24 1HG2 VAL 24 -4.253 0.324 -6.862 185 HG23 VAL 24 2HG2 VAL 24 -3.323 0.950 -5.501 186 H LYS 25 H LYS 25 -0.120 -2.365 -5.385 187 HA LYS 25 HA LYS 25 -0.717 -5.093 -5.681 188 HB2 LYS 25 2HB LYS 25 1.903 -3.721 -5.079 189 HB3 LYS 25 1HB LYS 25 1.761 -5.425 -5.482 190 HG2 LYS 25 2HG LYS 25 0.971 -4.908 -7.676 191 HG3 LYS 25 1HG LYS 25 0.861 -3.190 -7.280 192 HD2 LYS 25 2HD LYS 25 3.250 -3.074 -6.977 193 HD3 LYS 25 1HD LYS 25 3.403 -4.809 -7.270 194 HE2 LYS 25 2HE LYS 25 2.495 -4.463 -9.540 195 HE3 LYS 25 1HE LYS 25 2.460 -2.728 -9.239 196 HZ1 LYS 25 3HZ LYS 25 4.428 -3.343 -10.460 197 HZ2 LYS 25 1HZ LYS 25 4.881 -4.449 -9.256 198 HZ3 LYS 25 2HZ LYS 25 4.865 -2.789 -8.916 199 H ALA 26 H ALA 26 0.430 -3.202 -2.945 200 HA ALA 26 HA ALA 26 1.088 -5.610 -1.475 201 HB1 ALA 26 1HB ALA 26 1.882 -4.074 0.257 202 HB2 ALA 26 2HB ALA 26 1.227 -2.711 -0.655 203 HB3 ALA 26 3HB ALA 26 2.553 -3.661 -1.323 204 H LEU 27 H LEU 27 -1.279 -3.011 -1.364 205 HA LEU 27 HA LEU 27 -2.462 -3.954 1.032 206 HB2 LEU 27 2HB LEU 27 -3.323 -2.025 -1.089 207 HB3 LEU 27 1HB LEU 27 -4.307 -2.366 0.311 208 HG LEU 27 HG LEU 27 -2.789 -0.265 0.229 209 HD11 LEU 27 1HD1 LEU 27 -2.474 -0.352 2.624 210 HD12 LEU 27 2HD1 LEU 27 -2.749 -2.094 2.586 211 HD13 LEU 27 3HD1 LEU 27 -4.056 -0.987 2.171 212 HD21 LEU 27 3HD2 LEU 27 -0.845 -2.295 1.145 213 HD22 LEU 27 1HD2 LEU 27 -0.608 -0.545 1.115 214 HD23 LEU 27 2HD2 LEU 27 -0.798 -1.445 -0.396 215 H LYS 28 H LYS 28 -2.935 -4.517 -2.405 216 HA LYS 28 HA LYS 28 -5.257 -6.013 -2.311 217 HB2 LYS 28 2HB LYS 28 -2.948 -5.887 -4.091 218 HB3 LYS 28 1HB LYS 28 -3.768 -7.444 -4.083 219 HG2 LYS 28 2HG LYS 28 -5.799 -6.502 -4.773 220 HG3 LYS 28 1HG LYS 28 -5.250 -4.862 -4.406 221 HD2 LYS 28 2HD LYS 28 -3.623 -4.986 -6.159 222 HD3 LYS 28 1HD LYS 28 -4.098 -6.644 -6.541 223 HE2 LYS 28 2HE LYS 28 -5.820 -4.174 -6.780 224 HE3 LYS 28 1HE LYS 28 -5.133 -5.102 -8.112 225 HZ1 LYS 28 3HZ LYS 28 -6.469 -7.008 -7.400 226 HZ2 LYS 28 1HZ LYS 28 -7.444 -5.674 -7.778 227 HZ3 LYS 28 2HZ LYS 28 -7.154 -6.080 -6.160 228 H GLN 29 H GLN 29 -1.877 -7.180 -1.763 229 HA GLN 29 HA GLN 29 -2.884 -9.816 -1.277 230 HB2 GLN 29 2HB GLN 29 -0.558 -10.309 -0.806 231 HB3 GLN 29 1HB GLN 29 -0.768 -9.458 -2.287 232 HG2 GLN 29 2HG GLN 29 -0.193 -7.376 -0.900 233 HG3 GLN 29 1HG GLN 29 0.493 -8.567 0.198 234 HE21 GLN 29 1HE2 GLN 29 1.766 -6.527 -1.518 235 HE22 GLN 29 2HE2 GLN 29 2.886 -7.389 -2.502 236 H THR 30 H THR 30 -1.973 -7.115 0.687 237 HA THR 30 HA THR 30 -2.192 -8.559 3.172 238 HB THR 30 HB THR 30 -1.927 -6.308 4.174 239 HG1 THR 30 1HG THR 30 -1.368 -5.285 1.628 240 HG21 THR 30 3HG2 THR 30 0.023 -7.707 3.645 241 HG22 THR 30 1HG2 THR 30 0.388 -5.993 3.441 242 HG23 THR 30 2HG2 THR 30 0.074 -7.003 2.026 243 H ASN 31 H ASN 31 -4.368 -7.182 1.062 244 HA ASN 31 HA ASN 31 -6.519 -6.561 1.092 245 HB2 ASN 31 2HB ASN 31 -6.463 -8.083 3.690 246 HB3 ASN 31 1HB ASN 31 -7.918 -7.260 3.142 247 HD21 ASN 31 1HD2 ASN 31 -5.749 -9.902 2.604 248 HD22 ASN 31 2HD2 ASN 31 -6.728 -10.733 1.442 249 H GLY 32 H GLY 32 -4.922 -4.503 1.501 250 HA2 GLY 32 2HA GLY 32 -5.433 -2.331 1.825 251 HA3 GLY 32 1HA GLY 32 -6.873 -2.811 2.706 252 H ASN 33 H ASN 33 -4.329 -4.285 4.400 253 HA ASN 33 HA ASN 33 -4.230 -1.992 6.136 254 HB2 ASN 33 2HB ASN 33 -3.665 -3.374 7.881 255 HB3 ASN 33 1HB ASN 33 -4.774 -4.326 6.944 256 HD21 ASN 33 1HD2 ASN 33 -2.687 -4.961 4.981 257 HD22 ASN 33 2HD2 ASN 33 -1.731 -6.194 5.737 258 H ALA 34 H ALA 34 -2.629 -0.678 6.415 259 HA ALA 34 HA ALA 34 -0.876 -0.504 4.237 260 HB1 ALA 34 1HB ALA 34 -0.868 1.196 6.711 261 HB2 ALA 34 2HB ALA 34 -1.939 1.418 5.326 262 HB3 ALA 34 3HB ALA 34 -0.197 1.612 5.133 263 H GLU 35 H GLU 35 0.013 -0.890 7.695 264 HA GLU 35 HA GLU 35 2.620 -0.525 7.335 265 HB2 GLU 35 2HB GLU 35 0.943 -1.730 9.375 266 HB3 GLU 35 1HB GLU 35 2.660 -1.990 9.485 267 HG2 GLU 35 2HG GLU 35 1.425 0.675 9.180 268 HG3 GLU 35 1HG GLU 35 1.732 -0.072 10.720 269 H PHE 36 H PHE 36 0.837 -3.406 7.275 270 HA PHE 36 HA PHE 36 2.990 -5.185 7.104 271 HB2 PHE 36 2HB PHE 36 0.023 -5.279 6.701 272 HB3 PHE 36 1HB PHE 36 1.015 -6.652 6.324 273 HD1 PHE 36 1HD PHE 36 1.208 -4.194 9.038 274 HD2 PHE 36 2HD PHE 36 0.649 -8.271 7.995 275 HE1 PHE 36 1HE PHE 36 1.213 -4.745 11.338 276 HE2 PHE 36 2HE PHE 36 0.638 -8.866 10.391 277 HZ PHE 36 HZ PHE 36 0.924 -7.093 12.088 278 H ALA 37 H ALA 37 0.933 -3.493 4.848 279 HA ALA 37 HA ALA 37 1.606 -5.034 2.569 280 HB1 ALA 37 1HB ALA 37 0.514 -3.252 1.355 281 HB2 ALA 37 2HB ALA 37 0.538 -2.242 2.800 282 HB3 ALA 37 3HB ALA 37 -0.426 -3.720 2.770 283 H ALA 38 H ALA 38 2.752 -1.974 3.877 284 HA ALA 38 HA ALA 38 4.557 -1.291 1.881 285 HB1 ALA 38 1HB ALA 38 4.819 -0.781 4.837 286 HB2 ALA 38 2HB ALA 38 3.916 0.219 3.700 287 HB3 ALA 38 3HB ALA 38 5.666 0.073 3.550 288 H SER 39 H SER 39 4.870 -3.406 4.665 289 HA SER 39 HA SER 39 7.719 -3.595 4.454 290 HB2 SER 39 2HB SER 39 5.740 -5.253 6.044 291 HB3 SER 39 1HB SER 39 7.490 -5.242 6.271 292 HG SER 39 HG SER 39 5.661 -3.108 6.713 293 H LEU 40 H LEU 40 4.928 -5.094 3.222 294 HA LEU 40 HA LEU 40 6.223 -7.476 2.316 295 HB2 LEU 40 2HB LEU 40 3.772 -6.983 3.058 296 HB3 LEU 40 1HB LEU 40 3.593 -6.429 1.415 297 HG LEU 40 HG LEU 40 4.469 -9.203 2.248 298 HD11 LEU 40 1HD1 LEU 40 1.829 -8.282 1.142 299 HD12 LEU 40 2HD1 LEU 40 2.144 -8.713 2.822 300 HD13 LEU 40 3HD1 LEU 40 2.275 -9.938 1.559 301 HD21 LEU 40 3HD2 LEU 40 5.372 -8.504 0.088 302 HD22 LEU 40 1HD2 LEU 40 3.739 -8.143 -0.474 303 HD23 LEU 40 2HD2 LEU 40 4.188 -9.804 -0.081 304 H LEU 41 H LEU 41 5.074 -4.348 1.005 305 HA LEU 41 HA LEU 41 5.649 -5.085 -1.658 306 HB2 LEU 41 2HB LEU 41 5.062 -2.916 -2.266 307 HB3 LEU 41 1HB LEU 41 4.027 -3.362 -0.925 308 HG LEU 41 HG LEU 41 5.594 -2.053 0.548 309 HD11 LEU 41 1HD1 LEU 41 6.960 -0.396 -0.513 310 HD12 LEU 41 2HD1 LEU 41 6.505 -1.024 -2.101 311 HD13 LEU 41 3HD1 LEU 41 7.435 -2.028 -0.985 312 HD21 LEU 41 3HD2 LEU 41 3.401 -1.284 -0.089 313 HD22 LEU 41 1HD2 LEU 41 4.045 -0.654 -1.605 314 HD23 LEU 41 2HD2 LEU 41 4.542 0.063 -0.071 315 H PHE 42 H PHE 42 7.401 -3.912 0.977 316 HA PHE 42 HA PHE 42 9.674 -2.816 -0.059 317 HB2 PHE 42 2HB PHE 42 8.836 -3.962 2.423 318 HB3 PHE 42 1HB PHE 42 10.520 -4.366 2.100 319 HD1 PHE 42 1HD PHE 42 8.088 -1.761 2.092 320 HD2 PHE 42 2HD PHE 42 12.184 -2.693 2.488 321 HE1 PHE 42 1HE PHE 42 8.540 0.543 2.637 322 HE2 PHE 42 2HE PHE 42 12.680 -0.348 3.082 323 HZ PHE 42 HZ PHE 42 10.837 1.300 3.162 324 H GLN 43 H GLN 43 8.497 -5.988 -0.484 325 HA GLN 43 HA GLN 43 10.801 -7.555 -0.543 326 HB2 GLN 43 2HB GLN 43 9.552 -9.163 -1.689 327 HB3 GLN 43 1HB GLN 43 8.329 -8.243 -0.826 328 HG2 GLN 43 2HG GLN 43 8.556 -6.927 -3.247 329 HG3 GLN 43 1HG GLN 43 8.705 -8.629 -3.676 330 HE21 GLN 43 1HE2 GLN 43 6.642 -6.144 -2.524 331 HE22 GLN 43 2HE2 GLN 43 5.177 -7.055 -2.473 332 H SER 44 H SER 44 9.707 -5.181 -2.714 333 HA SER 44 HA SER 44 11.741 -5.922 -4.704 334 HB2 SER 44 2HB SER 44 9.398 -4.030 -5.009 335 HB3 SER 44 1HB SER 44 10.493 -4.549 -6.289 336 HG SER 44 HG SER 44 9.727 -6.781 -5.512 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 -11.691 -7.228 1.654 2 H2 GLY 1 2HT GLY 1 -13.071 -6.445 2.260 3 H3 GLY 1 3HT GLY 1 -11.528 -5.966 2.777 4 HA2 GLY 1 1HA GLY 1 -10.982 -5.167 0.588 5 HA3 GLY 1 2HA GLY 1 -12.537 -5.734 -0.001 6 H SER 2 H SER 2 -11.356 -3.778 2.743 7 HA SER 2 HA SER 2 -13.018 -1.561 1.822 8 HB2 SER 2 2HB SER 2 -13.161 -2.675 4.637 9 HB3 SER 2 1HB SER 2 -13.972 -1.216 4.065 10 HG SER 2 HG SER 2 -14.606 -3.164 2.394 11 H ALA 3 H ALA 3 -12.039 0.350 2.056 12 HA ALA 3 HA ALA 3 -10.333 1.831 2.349 13 HB1 ALA 3 1HB ALA 3 -9.460 2.097 4.603 14 HB2 ALA 3 2HB ALA 3 -10.089 0.512 5.055 15 HB3 ALA 3 3HB ALA 3 -11.201 1.819 4.649 16 H THR 4 H THR 4 -9.501 -0.009 0.741 17 HA THR 4 HA THR 4 -7.248 -1.429 1.799 18 HB THR 4 HB THR 4 -7.154 -2.343 -0.590 19 HG1 THR 4 1HG THR 4 -9.738 -2.050 -1.076 20 HG21 THR 4 3HG2 THR 4 -9.541 -2.922 1.172 21 HG22 THR 4 1HG2 THR 4 -7.945 -3.659 1.317 22 HG23 THR 4 2HG2 THR 4 -8.930 -3.965 -0.114 23 H PHE 5 H PHE 5 -7.805 0.426 -0.891 24 HA PHE 5 HA PHE 5 -5.034 1.359 -1.048 25 HB2 PHE 5 2HB PHE 5 -7.136 1.436 -3.060 26 HB3 PHE 5 1HB PHE 5 -5.405 1.423 -3.380 27 HD1 PHE 5 1HD PHE 5 -4.616 -0.701 -1.681 28 HD2 PHE 5 2HD PHE 5 -7.994 -0.463 -4.196 29 HE1 PHE 5 1HE PHE 5 -4.677 -2.977 -1.770 30 HE2 PHE 5 2HE PHE 5 -8.054 -2.945 -4.266 31 HZ PHE 5 HZ PHE 5 -6.322 -4.184 -2.962 32 HA PRO 6 HA PRO 6 -7.859 5.247 -0.858 33 HB2 PRO 6 2HB PRO 6 -8.005 5.811 1.737 34 HB3 PRO 6 1HB PRO 6 -9.133 4.725 0.944 35 HG2 PRO 6 2HG PRO 6 -6.776 4.049 2.516 36 HG3 PRO 6 1HG PRO 6 -8.414 3.407 2.577 37 HD2 PRO 6 2HD PRO 6 -6.455 2.162 1.216 38 HD3 PRO 6 1HD PRO 6 -8.117 2.088 0.694 39 H GLU 7 H GLU 7 -7.152 7.339 -0.169 40 HA GLU 7 HA GLU 7 -4.488 7.814 -0.692 41 HB2 GLU 7 2HB GLU 7 -6.401 9.614 0.801 42 HB3 GLU 7 1HB GLU 7 -4.951 10.108 -0.051 43 HG2 GLU 7 2HG GLU 7 -7.426 8.937 -1.278 44 HG3 GLU 7 1HG GLU 7 -6.904 10.618 -1.364 45 H GLN 8 H GLN 8 -6.043 7.156 2.383 46 HA GLN 8 HA GLN 8 -4.055 7.938 4.138 47 HB2 GLN 8 2HB GLN 8 -6.104 7.010 4.977 48 HB3 GLN 8 1HB GLN 8 -5.806 5.485 4.161 49 HG2 GLN 8 2HG GLN 8 -3.997 4.969 5.617 50 HG3 GLN 8 1HG GLN 8 -4.068 6.566 6.335 51 HE21 GLN 8 1HE2 GLN 8 -6.937 4.731 5.580 52 HE22 GLN 8 2HE2 GLN 8 -7.391 4.398 7.215 53 H THR 9 H THR 9 -4.347 4.653 2.797 54 HA THR 9 HA THR 9 -1.815 3.857 3.566 55 HB THR 9 HB THR 9 -2.281 1.913 2.100 56 HG1 THR 9 1HG THR 9 -4.380 1.820 1.161 57 HG21 THR 9 3HG2 THR 9 -4.143 1.047 3.425 58 HG22 THR 9 1HG2 THR 9 -4.505 2.686 3.966 59 HG23 THR 9 2HG2 THR 9 -2.990 1.918 4.439 60 H ILE 10 H ILE 10 -3.160 5.036 0.660 61 HA ILE 10 HA ILE 10 -1.139 4.869 -1.152 62 HB ILE 10 HB ILE 10 -3.146 7.046 -0.633 63 HG12 ILE 10 2HG1 ILE 10 -3.885 4.842 -1.558 64 HG13 ILE 10 1HG1 ILE 10 -4.260 6.223 -2.581 65 HG21 ILE 10 1HG2 ILE 10 -1.196 6.943 -2.910 66 HG22 ILE 10 2HG2 ILE 10 -1.210 8.117 -1.596 67 HG23 ILE 10 3HG2 ILE 10 -2.542 8.070 -2.751 68 HD11 ILE 10 3HD1 ILE 10 -3.461 4.327 -3.868 69 HD12 ILE 10 1HD1 ILE 10 -1.959 4.335 -2.945 70 HD13 ILE 10 2HD1 ILE 10 -2.359 5.700 -3.990 71 H LYS 11 H LYS 11 -1.718 7.545 1.085 72 HA LYS 11 HA LYS 11 0.701 8.767 0.315 73 HB2 LYS 11 2HB LYS 11 -1.198 9.402 2.535 74 HB3 LYS 11 1HB LYS 11 0.198 10.395 2.129 75 HG2 LYS 11 2HG LYS 11 -0.663 10.822 -0.057 76 HG3 LYS 11 1HG LYS 11 -1.982 9.668 0.186 77 HD2 LYS 11 2HD LYS 11 -2.796 11.944 0.441 78 HD3 LYS 11 1HD LYS 11 -2.851 11.113 1.995 79 HE2 LYS 11 2HE LYS 11 -2.015 13.408 2.212 80 HE3 LYS 11 1HE LYS 11 -0.801 12.221 2.687 81 HZ1 LYS 11 3HZ LYS 11 0.368 12.548 0.678 82 HZ2 LYS 11 1HZ LYS 11 0.019 14.094 1.277 83 HZ3 LYS 11 2HZ LYS 11 -0.888 13.456 -0.011 84 H GLN 12 H GLN 12 -0.111 6.668 3.032 85 HA GLN 12 HA GLN 12 2.190 7.051 4.485 86 HB2 GLN 12 2HB GLN 12 -0.049 5.207 4.208 87 HB3 GLN 12 1HB GLN 12 1.415 4.437 4.778 88 HG2 GLN 12 2HG GLN 12 0.171 5.155 6.669 89 HG3 GLN 12 1HG GLN 12 1.591 6.167 6.489 90 HE21 GLN 12 1HE2 GLN 12 1.409 8.298 5.952 91 HE22 GLN 12 2HE2 GLN 12 -0.101 9.137 6.001 92 H LEU 13 H LEU 13 1.569 5.127 1.622 93 HA LEU 13 HA LEU 13 4.104 3.777 1.880 94 HB2 LEU 13 2HB LEU 13 1.906 3.464 -0.135 95 HB3 LEU 13 1HB LEU 13 3.300 2.427 0.052 96 HG LEU 13 HG LEU 13 1.160 2.884 2.073 97 HD11 LEU 13 1HD1 LEU 13 0.598 0.539 1.725 98 HD12 LEU 13 2HD1 LEU 13 1.856 0.422 0.492 99 HD13 LEU 13 3HD1 LEU 13 0.455 1.459 0.226 100 HD21 LEU 13 3HD2 LEU 13 3.591 1.120 2.227 101 HD22 LEU 13 1HD2 LEU 13 2.276 1.150 3.401 102 HD23 LEU 13 2HD2 LEU 13 3.286 2.577 3.175 103 H MET 14 H MET 14 2.368 5.925 -0.356 104 HA MET 14 HA MET 14 4.478 6.553 -2.033 105 HB2 MET 14 2HB MET 14 2.230 8.177 -0.863 106 HB3 MET 14 1HB MET 14 3.299 8.771 -2.122 107 HG2 MET 14 2HG MET 14 1.019 7.069 -2.333 108 HG3 MET 14 1HG MET 14 1.936 7.900 -3.540 109 HE1 MET 14 3HE MET 14 0.566 4.780 -2.701 110 HE2 MET 14 1HE MET 14 1.778 4.607 -1.435 111 HE3 MET 14 2HE MET 14 1.807 3.533 -2.833 112 H ASP 15 H ASP 15 3.740 7.472 1.202 113 HA ASP 15 HA ASP 15 5.657 9.427 1.698 114 HB2 ASP 15 2HB ASP 15 3.896 8.953 3.268 115 HB3 ASP 15 1HB ASP 15 4.482 7.314 3.505 116 H LEU 16 H LEU 16 5.995 5.817 1.678 117 HA LEU 16 HA LEU 16 8.697 6.024 2.594 118 HB2 LEU 16 2HB LEU 16 7.575 3.792 0.966 119 HB3 LEU 16 1HB LEU 16 8.793 3.736 2.210 120 HG LEU 16 HG LEU 16 5.934 4.361 2.726 121 HD11 LEU 16 1HD1 LEU 16 6.015 2.197 1.830 122 HD12 LEU 16 2HD1 LEU 16 5.758 2.077 3.569 123 HD13 LEU 16 3HD1 LEU 16 7.352 1.748 2.888 124 HD21 LEU 16 3HD2 LEU 16 7.475 5.184 4.431 125 HD22 LEU 16 1HD2 LEU 16 8.165 3.568 4.579 126 HD23 LEU 16 2HD2 LEU 16 6.491 3.858 5.050 127 H GLY 17 H GLY 17 7.219 6.860 -0.280 128 HA2 GLY 17 2HA GLY 17 8.472 8.015 -1.961 129 HA3 GLY 17 1HA GLY 17 9.820 6.934 -1.646 130 H PHE 18 H PHE 18 6.579 5.667 -1.952 131 HA PHE 18 HA PHE 18 7.484 4.215 -4.307 132 HB2 PHE 18 2HB PHE 18 5.335 3.739 -2.279 133 HB3 PHE 18 1HB PHE 18 5.638 2.656 -3.613 134 HD1 PHE 18 2HD PHE 18 8.490 2.521 -3.879 135 HD2 PHE 18 1HD PHE 18 6.037 2.868 -0.513 136 HE1 PHE 18 2HE PHE 18 10.279 1.555 -2.472 137 HE2 PHE 18 1HE PHE 18 7.711 1.994 0.866 138 HZ PHE 18 HZ PHE 18 9.838 1.315 -0.058 139 HA PRO 19 HA PRO 19 4.070 5.779 -6.836 140 HB2 PRO 19 2HB PRO 19 3.546 3.737 -8.391 141 HB3 PRO 19 1HB PRO 19 5.175 4.415 -8.412 142 HG2 PRO 19 2HG PRO 19 4.191 2.077 -6.848 143 HG3 PRO 19 1HG PRO 19 5.517 2.189 -8.005 144 HD2 PRO 19 2HD PRO 19 5.953 2.470 -5.340 145 HD3 PRO 19 1HD PRO 19 6.885 3.379 -6.555 146 H ARG 20 H ARG 20 1.879 5.412 -7.280 147 HA ARG 20 HA ARG 20 0.277 4.632 -5.099 148 HB2 ARG 20 2HB ARG 20 -0.504 6.294 -6.645 149 HB3 ARG 20 1HB ARG 20 -0.344 5.197 -7.998 150 HG2 ARG 20 2HG ARG 20 -2.132 3.872 -7.258 151 HG3 ARG 20 1HG ARG 20 -2.215 4.736 -5.734 152 HD2 ARG 20 2HD ARG 20 -2.661 6.814 -7.180 153 HD3 ARG 20 1HD ARG 20 -2.998 5.666 -8.473 154 HE ARG 20 HE ARG 20 -4.476 5.714 -5.915 155 HH11 ARG 20 1HH1 ARG 20 -4.394 5.388 -9.405 156 HH12 ARG 20 2HH1 ARG 20 -6.094 5.038 -9.534 157 HH21 ARG 20 1HH2 ARG 20 -6.683 5.250 -6.075 158 HH22 ARG 20 2HH2 ARG 20 -7.390 4.934 -7.635 159 H ASP 21 H ASP 21 1.179 3.176 -8.083 160 HA ASP 21 HA ASP 21 -0.325 0.860 -8.166 161 HB2 ASP 21 2HB ASP 21 2.610 1.032 -8.883 162 HB3 ASP 21 1HB ASP 21 1.410 -0.060 -9.565 163 H ALA 22 H ALA 22 2.457 1.654 -6.182 164 HA ALA 22 HA ALA 22 3.000 -0.992 -5.301 165 HB1 ALA 22 1HB ALA 22 4.432 0.031 -3.636 166 HB2 ALA 22 2HB ALA 22 3.731 1.613 -3.976 167 HB3 ALA 22 3HB ALA 22 4.683 0.787 -5.209 168 H VAL 23 H VAL 23 0.830 1.568 -4.174 169 HA VAL 23 HA VAL 23 0.196 0.362 -1.696 170 HB VAL 23 HB VAL 23 -0.566 2.712 -2.966 171 HG11 VAL 23 1HG1 VAL 23 -3.028 2.690 -2.875 172 HG12 VAL 23 2HG1 VAL 23 -2.953 0.936 -2.646 173 HG13 VAL 23 3HG1 VAL 23 -2.345 1.655 -4.139 174 HG21 VAL 23 3HG2 VAL 23 -0.403 2.920 -0.722 175 HG22 VAL 23 1HG2 VAL 23 -1.212 1.369 -0.427 176 HG23 VAL 23 2HG2 VAL 23 -2.170 2.778 -0.871 177 H VAL 24 H VAL 24 -1.184 0.241 -4.869 178 HA VAL 24 HA VAL 24 -3.252 -1.475 -4.164 179 HB VAL 24 HB VAL 24 -1.969 -0.801 -6.779 180 HG11 VAL 24 1HG1 VAL 24 -3.785 -2.056 -7.906 181 HG12 VAL 24 2HG1 VAL 24 -4.309 -2.677 -6.338 182 HG13 VAL 24 3HG1 VAL 24 -2.728 -3.126 -6.981 183 HG21 VAL 24 3HG2 VAL 24 -4.282 0.164 -7.125 184 HG22 VAL 24 1HG2 VAL 24 -3.309 0.918 -5.859 185 HG23 VAL 24 2HG2 VAL 24 -4.592 -0.213 -5.426 186 H LYS 25 H LYS 25 -0.064 -2.305 -5.531 187 HA LYS 25 HA LYS 25 -0.603 -5.045 -5.820 188 HB2 LYS 25 2HB LYS 25 2.014 -3.694 -5.214 189 HB3 LYS 25 1HB LYS 25 1.865 -5.341 -5.751 190 HG2 LYS 25 2HG LYS 25 0.945 -2.962 -7.332 191 HG3 LYS 25 1HG LYS 25 2.540 -3.709 -7.500 192 HD2 LYS 25 2HD LYS 25 0.076 -5.330 -7.640 193 HD3 LYS 25 1HD LYS 25 0.623 -4.455 -9.074 194 HE2 LYS 25 2HE LYS 25 2.813 -5.604 -8.852 195 HE3 LYS 25 1HE LYS 25 2.165 -6.521 -7.494 196 HZ1 LYS 25 3HZ LYS 25 0.491 -7.452 -8.984 197 HZ2 LYS 25 1HZ LYS 25 2.061 -7.808 -9.519 198 HZ3 LYS 25 2HZ LYS 25 1.157 -6.599 -10.289 199 H ALA 26 H ALA 26 0.492 -3.135 -3.073 200 HA ALA 26 HA ALA 26 1.145 -5.512 -1.558 201 HB1 ALA 26 1HB ALA 26 2.567 -3.555 -1.353 202 HB2 ALA 26 2HB ALA 26 1.787 -3.900 0.192 203 HB3 ALA 26 3HB ALA 26 1.189 -2.588 -0.827 204 H LEU 27 H LEU 27 -1.239 -2.927 -1.547 205 HA LEU 27 HA LEU 27 -2.473 -3.828 0.837 206 HB2 LEU 27 2HB LEU 27 -3.303 -1.897 -1.301 207 HB3 LEU 27 1HB LEU 27 -4.259 -2.197 0.125 208 HG LEU 27 HG LEU 27 -2.762 -0.116 0.040 209 HD11 LEU 27 1HD1 LEU 27 -2.460 -2.008 2.342 210 HD12 LEU 27 2HD1 LEU 27 -3.870 -0.993 2.049 211 HD13 LEU 27 3HD1 LEU 27 -2.308 -0.253 2.404 212 HD21 LEU 27 3HD2 LEU 27 -0.702 -2.129 0.751 213 HD22 LEU 27 1HD2 LEU 27 -0.512 -0.375 0.726 214 HD23 LEU 27 2HD2 LEU 27 -0.801 -1.256 -0.777 215 H LYS 28 H LYS 28 -2.914 -4.433 -2.610 216 HA LYS 28 HA LYS 28 -5.234 -5.945 -2.418 217 HB2 LYS 28 2HB LYS 28 -2.873 -6.223 -4.207 218 HB3 LYS 28 1HB LYS 28 -4.159 -7.381 -4.297 219 HG2 LYS 28 2HG LYS 28 -4.410 -4.411 -4.741 220 HG3 LYS 28 1HG LYS 28 -4.309 -5.646 -6.013 221 HD2 LYS 28 2HD LYS 28 -6.264 -5.896 -3.864 222 HD3 LYS 28 1HD LYS 28 -6.625 -4.770 -5.168 223 HE2 LYS 28 2HE LYS 28 -7.610 -6.656 -6.017 224 HE3 LYS 28 1HE LYS 28 -5.977 -6.894 -6.627 225 HZ1 LYS 28 3HZ LYS 28 -7.030 -8.083 -4.117 226 HZ2 LYS 28 1HZ LYS 28 -5.508 -8.379 -4.804 227 HZ3 LYS 28 2HZ LYS 28 -6.918 -8.897 -5.594 228 H GLN 29 H GLN 29 -1.818 -7.052 -1.907 229 HA GLN 29 HA GLN 29 -2.819 -9.685 -1.339 230 HB2 GLN 29 2HB GLN 29 -0.485 -10.188 -0.979 231 HB3 GLN 29 1HB GLN 29 -0.749 -9.342 -2.453 232 HG2 GLN 29 2HG GLN 29 -0.105 -7.267 -1.072 233 HG3 GLN 29 1HG GLN 29 0.648 -8.476 -0.039 234 HE21 GLN 29 1HE2 GLN 29 1.852 -6.418 -1.725 235 HE22 GLN 29 2HE2 GLN 29 2.895 -7.233 -2.834 236 H THR 30 H THR 30 -1.850 -6.940 0.535 237 HA THR 30 HA THR 30 -2.052 -8.341 3.057 238 HB THR 30 HB THR 30 -1.758 -6.091 4.037 239 HG1 THR 30 1HG THR 30 -1.304 -5.095 1.449 240 HG21 THR 30 3HG2 THR 30 0.192 -6.780 1.848 241 HG22 THR 30 1HG2 THR 30 0.194 -7.453 3.480 242 HG23 THR 30 2HG2 THR 30 0.530 -5.739 3.234 243 H ASN 31 H ASN 31 -4.238 -7.089 0.913 244 HA ASN 31 HA ASN 31 -6.317 -6.293 0.888 245 HB2 ASN 31 2HB ASN 31 -6.572 -8.497 2.216 246 HB3 ASN 31 1HB ASN 31 -6.828 -7.445 3.610 247 HD21 ASN 31 1HD2 ASN 31 -7.946 -8.203 0.386 248 HD22 ASN 31 2HD2 ASN 31 -9.575 -7.663 0.616 249 H GLY 32 H GLY 32 -4.762 -4.279 1.379 250 HA2 GLY 32 2HA GLY 32 -5.228 -2.117 1.772 251 HA3 GLY 32 1HA GLY 32 -6.687 -2.604 2.613 252 H ASN 33 H ASN 33 -4.181 -4.159 4.337 253 HA ASN 33 HA ASN 33 -4.301 -1.968 6.186 254 HB2 ASN 33 2HB ASN 33 -3.692 -3.440 7.875 255 HB3 ASN 33 1HB ASN 33 -4.813 -4.300 6.869 256 HD21 ASN 33 1HD2 ASN 33 -2.566 -4.729 4.917 257 HD22 ASN 33 2HD2 ASN 33 -1.692 -6.050 5.596 258 H ALA 34 H ALA 34 -2.781 -0.583 6.661 259 HA ALA 34 HA ALA 34 -0.990 -0.140 4.565 260 HB1 ALA 34 1HB ALA 34 -2.190 1.614 5.791 261 HB2 ALA 34 2HB ALA 34 -0.462 1.933 5.642 262 HB3 ALA 34 3HB ALA 34 -1.121 1.346 7.168 263 H GLU 35 H GLU 35 -0.160 -1.098 7.917 264 HA GLU 35 HA GLU 35 2.487 -0.590 7.508 265 HB2 GLU 35 2HB GLU 35 1.003 -2.059 9.578 266 HB3 GLU 35 1HB GLU 35 2.744 -2.001 9.580 267 HG2 GLU 35 2HG GLU 35 0.976 0.375 9.554 268 HG3 GLU 35 1HG GLU 35 1.670 -0.349 10.976 269 H PHE 36 H PHE 36 0.590 -3.360 7.372 270 HA PHE 36 HA PHE 36 2.588 -5.239 6.727 271 HB2 PHE 36 2HB PHE 36 -0.387 -5.056 6.478 272 HB3 PHE 36 1HB PHE 36 0.438 -6.395 5.721 273 HD1 PHE 36 1HD PHE 36 0.934 -4.585 8.899 274 HD2 PHE 36 2HD PHE 36 0.114 -8.319 7.050 275 HE1 PHE 36 1HE PHE 36 0.993 -5.612 11.029 276 HE2 PHE 36 2HE PHE 36 0.169 -9.407 9.264 277 HZ PHE 36 HZ PHE 36 0.611 -8.051 11.282 278 H ALA 37 H ALA 37 0.850 -2.831 4.997 279 HA ALA 37 HA ALA 37 1.103 -3.875 2.381 280 HB1 ALA 37 1HB ALA 37 0.711 -1.093 3.441 281 HB2 ALA 37 2HB ALA 37 -0.547 -2.236 2.969 282 HB3 ALA 37 3HB ALA 37 0.535 -1.562 1.751 283 H ALA 38 H ALA 38 2.850 -1.409 4.148 284 HA ALA 38 HA ALA 38 4.745 -0.707 2.290 285 HB1 ALA 38 1HB ALA 38 5.093 -0.883 5.274 286 HB2 ALA 38 2HB ALA 38 4.388 0.477 4.402 287 HB3 ALA 38 3HB ALA 38 6.083 0.058 4.162 288 H SER 39 H SER 39 4.746 -3.335 4.651 289 HA SER 39 HA SER 39 7.485 -3.987 4.244 290 HB2 SER 39 2HB SER 39 5.254 -5.612 5.495 291 HB3 SER 39 1HB SER 39 6.984 -5.915 5.678 292 HG SER 39 HG SER 39 6.619 -3.414 6.376 293 H LEU 40 H LEU 40 4.446 -4.702 2.817 294 HA LEU 40 HA LEU 40 5.328 -7.070 1.493 295 HB2 LEU 40 2HB LEU 40 2.912 -5.806 2.207 296 HB3 LEU 40 1HB LEU 40 2.959 -5.867 0.492 297 HG LEU 40 HG LEU 40 1.834 -7.848 1.147 298 HD11 LEU 40 1HD1 LEU 40 3.320 -9.672 0.514 299 HD12 LEU 40 2HD1 LEU 40 4.717 -8.615 0.718 300 HD13 LEU 40 3HD1 LEU 40 3.536 -8.283 -0.549 301 HD21 LEU 40 3HD2 LEU 40 2.392 -7.754 3.507 302 HD22 LEU 40 1HD2 LEU 40 4.051 -8.238 3.155 303 HD23 LEU 40 2HD2 LEU 40 2.725 -9.364 2.866 304 H LEU 41 H LEU 41 4.670 -3.619 0.748 305 HA LEU 41 HA LEU 41 5.131 -4.070 -2.018 306 HB2 LEU 41 2HB LEU 41 4.791 -1.792 -2.322 307 HB3 LEU 41 1HB LEU 41 3.710 -2.303 -1.042 308 HG LEU 41 HG LEU 41 5.377 -1.376 0.578 309 HD11 LEU 41 1HD1 LEU 41 6.476 -0.144 -1.900 310 HD12 LEU 41 2HD1 LEU 41 7.246 -1.397 -0.927 311 HD13 LEU 41 3HD1 LEU 41 6.967 0.206 -0.240 312 HD21 LEU 41 3HD2 LEU 41 4.061 0.445 -1.396 313 HD22 LEU 41 1HD2 LEU 41 4.621 0.918 0.209 314 HD23 LEU 41 2HD2 LEU 41 3.324 -0.266 0.039 315 H PHE 42 H PHE 42 7.010 -3.466 0.726 316 HA PHE 42 HA PHE 42 9.350 -2.391 -0.182 317 HB2 PHE 42 2HB PHE 42 8.457 -3.798 2.139 318 HB3 PHE 42 1HB PHE 42 10.089 -4.316 1.720 319 HD1 PHE 42 1HD PHE 42 7.927 -1.511 2.143 320 HD2 PHE 42 2HD PHE 42 11.919 -2.871 2.265 321 HE1 PHE 42 1HE PHE 42 8.616 0.644 2.976 322 HE2 PHE 42 2HE PHE 42 12.655 -0.685 3.154 323 HZ PHE 42 HZ PHE 42 10.985 1.102 3.521 324 H GLN 43 H GLN 43 7.981 -5.499 -0.868 325 HA GLN 43 HA GLN 43 10.137 -7.134 -1.452 326 HB2 GLN 43 2HB GLN 43 7.527 -6.771 -2.885 327 HB3 GLN 43 1HB GLN 43 8.663 -8.021 -3.329 328 HG2 GLN 43 2HG GLN 43 8.387 -9.168 -1.304 329 HG3 GLN 43 1HG GLN 43 7.598 -7.794 -0.538 330 HE21 GLN 43 1HE2 GLN 43 5.714 -7.161 -2.532 331 HE22 GLN 43 2HE2 GLN 43 4.579 -8.440 -2.633 332 H SER 44 H SER 44 8.942 -4.399 -3.079 333 HA SER 44 HA SER 44 9.712 -3.052 -4.726 334 HB2 SER 44 2HB SER 44 11.908 -3.534 -3.437 335 HB3 SER 44 1HB SER 44 12.293 -4.605 -4.784 336 HG SER 44 HG SER 44 12.032 -1.809 -4.723
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