NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
588762 | 2rv1 | 11481 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 -8.167 -16.287 2.968 2 H2 GLY 1 2H GLY 1 -8.496 -14.679 3.075 3 H3 GLY 1 3H GLY 1 -9.307 -15.746 4.015 4 HA2 GLY 1 1HA GLY 1 -7.333 -16.313 5.243 5 HA3 GLY 1 2HA GLY 1 -6.410 -15.225 4.189 6 H SER 2 H SER 2 -6.043 -14.634 6.709 7 HA SER 2 HA SER 2 -7.981 -13.092 8.077 8 HB2 SER 2 1HB SER 2 -4.955 -12.862 8.263 9 HB3 SER 2 2HB SER 2 -6.129 -12.379 9.498 10 HG SER 2 HG SER 2 -6.724 -14.555 9.738 11 H SER 3 H SER 3 -5.893 -12.088 5.447 12 HA SER 3 HA SER 3 -6.232 -9.212 5.860 13 HB2 SER 3 1HB SER 3 -5.072 -9.093 3.655 14 HB3 SER 3 2HB SER 3 -4.192 -10.025 4.879 15 HG SER 3 HG SER 3 -4.251 -11.114 2.857 16 H GLY 4 H GLY 4 -8.198 -11.671 4.459 17 HA2 GLY 4 1HA GLY 4 -10.441 -10.225 3.907 18 HA3 GLY 4 2HA GLY 4 -9.517 -10.043 2.413 19 H SER 5 H SER 5 -12.084 -11.475 3.017 20 HA SER 5 HA SER 5 -11.836 -14.233 3.221 21 HB2 SER 5 1HB SER 5 -13.989 -12.714 1.701 22 HB3 SER 5 2HB SER 5 -14.127 -14.342 2.396 23 HG SER 5 HG SER 5 -15.019 -12.730 3.775 24 H SER 6 H SER 6 -11.562 -12.318 0.257 25 HA SER 6 HA SER 6 -11.193 -14.771 -1.399 26 HB2 SER 6 1HB SER 6 -11.610 -13.251 -3.306 27 HB3 SER 6 2HB SER 6 -12.957 -13.326 -2.161 28 HG SER 6 HG SER 6 -12.460 -11.164 -2.782 29 H GLY 7 H GLY 7 -9.205 -12.712 0.286 30 HA2 GLY 7 1HA GLY 7 -6.976 -12.127 0.142 31 HA3 GLY 7 2HA GLY 7 -6.801 -13.415 -1.047 32 H ARG 8 H ARG 8 -5.584 -12.495 -2.574 33 HA ARG 8 HA ARG 8 -4.832 -11.164 -4.253 34 HB2 ARG 8 1HB ARG 8 -6.951 -12.410 -5.017 35 HB3 ARG 8 2HB ARG 8 -7.773 -10.863 -4.932 36 HG2 ARG 8 1HG ARG 8 -7.148 -11.304 -7.204 37 HG3 ARG 8 2HG ARG 8 -6.148 -9.963 -6.648 38 HD2 ARG 8 1HD ARG 8 -4.242 -11.501 -6.313 39 HD3 ARG 8 2HD ARG 8 -5.267 -12.878 -6.775 40 HE ARG 8 HE ARG 8 -5.323 -10.937 -8.866 41 HH11 ARG 8 2HH1 ARG 8 -3.045 -13.234 -7.515 42 HH12 ARG 8 1HH1 ARG 8 -2.178 -13.395 -9.018 43 HH21 ARG 8 2HH2 ARG 8 -4.173 -11.191 -10.750 44 HH22 ARG 8 1HH2 ARG 8 -2.805 -12.265 -10.797 45 H ALA 9 H ALA 9 -4.710 -9.656 -2.049 46 HA ALA 9 HA ALA 9 -5.686 -6.949 -2.468 47 HB1 ALA 9 1HB ALA 9 -4.057 -6.406 -0.687 48 HB2 ALA 9 2HB ALA 9 -5.094 -7.774 -0.238 49 HB3 ALA 9 3HB ALA 9 -3.414 -8.055 -0.766 50 H MET 10 H MET 10 -4.119 -5.094 -2.690 51 HA MET 10 HA MET 10 -2.376 -5.445 -5.042 52 HB2 MET 10 1HB MET 10 -2.540 -3.203 -5.342 53 HB3 MET 10 2HB MET 10 -4.016 -3.466 -4.423 54 HG2 MET 10 1HG MET 10 -3.154 -1.588 -3.425 55 HG3 MET 10 2HG MET 10 -2.598 -2.845 -2.336 56 HE1 MET 10 3HE MET 10 0.070 -3.147 -1.701 57 HE2 MET 10 1HE MET 10 0.797 -1.534 -1.750 58 HE3 MET 10 2HE MET 10 -0.847 -1.746 -1.141 59 H LYS 11 H LYS 11 -0.089 -4.911 -4.998 60 HA LYS 11 HA LYS 11 1.190 -5.118 -2.301 61 HB2 LYS 11 1HB LYS 11 1.393 -7.148 -3.799 62 HB3 LYS 11 2HB LYS 11 2.413 -6.169 -4.870 63 HG2 LYS 11 1HG LYS 11 4.005 -5.775 -3.019 64 HG3 LYS 11 2HG LYS 11 2.908 -6.592 -1.888 65 HD2 LYS 11 1HD LYS 11 3.163 -8.691 -3.269 66 HD3 LYS 11 2HD LYS 11 4.430 -7.869 -4.204 67 HE2 LYS 11 1HE LYS 11 5.810 -7.573 -2.264 68 HE3 LYS 11 2HE LYS 11 4.473 -7.954 -1.169 69 HZ1 LYS 11 3HZ LYS 11 5.779 -9.933 -2.942 70 HZ2 LYS 11 1HZ LYS 11 4.535 -10.230 -1.900 71 HZ3 LYS 11 2HZ LYS 11 5.997 -9.778 -1.316 72 H CYS 12 H CYS 12 2.739 -3.758 -1.743 73 HA CYS 12 HA CYS 12 2.758 -1.168 -2.706 74 HB2 CYS 12 1HB CYS 12 3.322 -1.843 -0.459 75 HB3 CYS 12 2HB CYS 12 4.724 -2.756 -1.026 76 HA PRO 13 HA PRO 13 5.609 -1.283 -6.108 77 HB2 PRO 13 1HB PRO 13 5.989 1.428 -6.524 78 HB3 PRO 13 2HB PRO 13 4.574 0.474 -7.047 79 HG2 PRO 13 1HG PRO 13 4.826 2.301 -4.680 80 HG3 PRO 13 2HG PRO 13 3.405 1.992 -5.718 81 HD2 PRO 13 1HD PRO 13 3.767 0.898 -3.227 82 HD3 PRO 13 2HD PRO 13 2.756 0.179 -4.512 83 H TYR 14 H TYR 14 6.532 -0.465 -2.975 84 HA TYR 14 HA TYR 14 9.433 -0.258 -3.741 85 HB2 TYR 14 1HB TYR 14 7.943 1.061 -1.470 86 HB3 TYR 14 2HB TYR 14 9.689 1.065 -1.634 87 HD1 TYR 14 1HD TYR 14 6.525 2.229 -3.197 88 HD2 TYR 14 2HD TYR 14 10.808 2.656 -3.028 89 HE1 TYR 14 1HE TYR 14 6.394 4.244 -4.691 90 HE2 TYR 14 2HE TYR 14 10.661 4.720 -4.420 91 HH TYR 14 HH TYR 14 9.289 6.133 -5.575 92 H CYS 15 H CYS 15 7.103 -1.853 -1.570 93 HA CYS 15 HA CYS 15 9.306 -3.568 -0.558 94 HB2 CYS 15 1HB CYS 15 8.866 -3.210 1.705 95 HB3 CYS 15 2HB CYS 15 8.984 -1.617 0.985 96 H ASP 16 H ASP 16 8.035 -5.030 1.290 97 HA ASP 16 HA ASP 16 6.638 -6.927 -0.430 98 HB2 ASP 16 1HB ASP 16 8.554 -7.478 1.100 99 HB3 ASP 16 2HB ASP 16 7.482 -7.196 2.471 100 H PHE 17 H PHE 17 5.444 -4.403 1.413 101 HA PHE 17 HA PHE 17 3.331 -5.813 2.817 102 HB2 PHE 17 1HB PHE 17 4.662 -3.728 3.524 103 HB3 PHE 17 2HB PHE 17 3.570 -2.822 2.485 104 HD1 PHE 17 1HD PHE 17 3.855 -4.936 5.534 105 HD2 PHE 17 2HD PHE 17 1.258 -2.427 3.187 106 HE1 PHE 17 1HE PHE 17 2.235 -4.849 7.417 107 HE2 PHE 17 2HE PHE 17 -0.358 -2.331 5.067 108 HZ PHE 17 HZ PHE 17 0.128 -3.543 7.189 109 H TYR 18 H TYR 18 1.068 -5.458 2.676 110 HA TYR 18 HA TYR 18 0.046 -4.896 -0.068 111 HB2 TYR 18 1HB TYR 18 -0.937 -6.890 1.998 112 HB3 TYR 18 2HB TYR 18 -1.709 -6.569 0.457 113 HD1 TYR 18 1HD TYR 18 1.385 -7.930 2.039 114 HD2 TYR 18 2HD TYR 18 -0.957 -7.608 -1.568 115 HE1 TYR 18 1HE TYR 18 2.814 -9.630 0.961 116 HE2 TYR 18 2HE TYR 18 0.459 -9.322 -2.647 117 HH TYR 18 HH TYR 18 2.155 -10.857 -2.357 118 H PHE 19 H PHE 19 -1.981 -3.990 -0.372 119 HA PHE 19 HA PHE 19 -3.615 -3.118 1.937 120 HB2 PHE 19 1HB PHE 19 -2.582 -1.163 -0.160 121 HB3 PHE 19 2HB PHE 19 -3.978 -0.854 0.813 122 HD1 PHE 19 1HD PHE 19 -0.282 -1.193 0.967 123 HD2 PHE 19 2HD PHE 19 -3.889 -0.197 3.112 124 HE1 PHE 19 1HE PHE 19 1.061 -0.071 2.712 125 HE2 PHE 19 2HE PHE 19 -2.530 0.894 4.879 126 HZ PHE 19 HZ PHE 19 -0.053 0.982 4.670 127 H MET 20 H MET 20 -5.765 -2.275 1.229 128 HA MET 20 HA MET 20 -7.008 -3.851 -0.865 129 HB2 MET 20 1HB MET 20 -8.126 -3.078 1.217 130 HB3 MET 20 2HB MET 20 -8.048 -1.411 0.649 131 HG2 MET 20 1HG MET 20 -9.428 -3.620 -0.924 132 HG3 MET 20 2HG MET 20 -10.234 -2.745 0.371 133 HE1 MET 20 3HE MET 20 -12.201 -2.212 -1.350 134 HE2 MET 20 1HE MET 20 -11.939 -1.387 -2.903 135 HE3 MET 20 2HE MET 20 -11.295 -3.025 -2.648 136 H LYS 21 H LYS 21 -7.583 -3.218 -2.934 137 HA LYS 21 HA LYS 21 -5.704 -1.753 -4.356 138 HB2 LYS 21 1HB LYS 21 -7.079 -2.164 -6.311 139 HB3 LYS 21 2HB LYS 21 -7.058 -3.579 -5.263 140 HG2 LYS 21 1HG LYS 21 -9.313 -2.959 -4.381 141 HG3 LYS 21 2HG LYS 21 -9.329 -1.537 -5.440 142 HD2 LYS 21 1HD LYS 21 -9.177 -3.013 -7.427 143 HD3 LYS 21 2HD LYS 21 -9.166 -4.439 -6.366 144 HE2 LYS 21 1HE LYS 21 -11.390 -3.786 -5.468 145 HE3 LYS 21 2HE LYS 21 -11.400 -2.361 -6.514 146 HZ1 LYS 21 3HZ LYS 21 -11.350 -5.176 -7.474 147 HZ2 LYS 21 1HZ LYS 21 -11.360 -3.857 -8.440 148 HZ3 LYS 21 2HZ LYS 21 -12.651 -4.192 -7.503 149 H ASN 22 H ASN 22 -8.468 -0.325 -2.886 150 HA ASN 22 HA ASN 22 -7.859 2.278 -4.214 151 HB2 ASN 22 1HB ASN 22 -10.019 1.107 -4.946 152 HB3 ASN 22 2HB ASN 22 -10.609 1.353 -3.303 153 HD21 ASN 22 1HD2 ASN 22 -12.344 2.680 -4.132 154 HD22 ASN 22 2HD2 ASN 22 -12.016 4.300 -4.731 155 H GLY 23 H GLY 23 -7.010 0.963 -1.521 156 HA2 GLY 23 1HA GLY 23 -8.239 2.518 0.588 157 HA3 GLY 23 2HA GLY 23 -6.759 1.568 0.699 158 H SER 24 H SER 24 -7.711 4.492 1.405 159 HA SER 24 HA SER 24 -5.934 6.266 -0.021 160 HB2 SER 24 1HB SER 24 -8.055 6.902 1.156 161 HB3 SER 24 2HB SER 24 -7.224 6.662 2.705 162 HG SER 24 HG SER 24 -7.193 8.860 1.975 163 H ASP 25 H ASP 25 -5.532 4.364 2.945 164 HA ASP 25 HA ASP 25 -3.214 5.620 3.995 165 HB2 ASP 25 1HB ASP 25 -4.150 2.729 4.157 166 HB3 ASP 25 2HB ASP 25 -2.871 3.426 5.148 167 H LEU 26 H LEU 26 -3.486 3.421 1.262 168 HA LEU 26 HA LEU 26 -0.765 2.591 1.041 169 HB2 LEU 26 1HB LEU 26 -2.584 1.573 -0.240 170 HB3 LEU 26 2HB LEU 26 -2.917 3.109 -1.048 171 HG LEU 26 HG LEU 26 -0.755 3.042 -2.202 172 HD11 LEU 26 1HD1 LEU 26 -0.380 0.418 -0.722 173 HD12 LEU 26 2HD1 LEU 26 0.662 1.842 -0.621 174 HD13 LEU 26 3HD1 LEU 26 0.597 0.915 -2.121 175 HD21 LEU 26 3HD2 LEU 26 -1.211 1.136 -3.666 176 HD22 LEU 26 1HD2 LEU 26 -2.698 2.009 -3.255 177 HD23 LEU 26 2HD2 LEU 26 -2.334 0.464 -2.456 178 H GLN 27 H GLN 27 -2.406 5.620 0.039 179 HA GLN 27 HA GLN 27 -0.225 6.597 -1.577 180 HB2 GLN 27 1HB GLN 27 -2.399 8.169 -0.126 181 HB3 GLN 27 2HB GLN 27 -1.343 8.775 -1.401 182 HG2 GLN 27 1HG GLN 27 -3.448 6.587 -1.700 183 HG3 GLN 27 2HG GLN 27 -3.555 8.240 -2.290 184 HE21 GLN 27 1HE2 GLN 27 -1.826 8.915 -3.957 185 HE22 GLN 27 2HE2 GLN 27 -1.300 7.657 -5.065 186 H ARG 28 H ARG 28 -1.088 7.098 1.861 187 HA ARG 28 HA ARG 28 1.222 8.694 2.517 188 HB2 ARG 28 1HB ARG 28 -0.828 8.640 3.891 189 HB3 ARG 28 2HB ARG 28 -0.560 6.939 4.261 190 HG2 ARG 28 1HG ARG 28 0.084 8.352 6.138 191 HG3 ARG 28 2HG ARG 28 1.487 7.490 5.509 192 HD2 ARG 28 1HD ARG 28 2.200 9.543 4.295 193 HD3 ARG 28 2HD ARG 28 0.774 10.399 4.924 194 HE ARG 28 HE ARG 28 2.179 9.321 7.135 195 HH11 ARG 28 2HH1 ARG 28 2.747 11.818 4.727 196 HH12 ARG 28 1HH1 ARG 28 3.869 12.676 5.770 197 HH21 ARG 28 2HH2 ARG 28 3.635 10.473 8.374 198 HH22 ARG 28 1HH2 ARG 28 4.395 11.905 7.710 199 H HIS 29 H HIS 29 0.680 5.156 2.670 200 HA HIS 29 HA HIS 29 3.220 4.467 3.751 201 HB2 HIS 29 1HB HIS 29 1.314 2.941 3.633 202 HB3 HIS 29 2HB HIS 29 1.369 2.951 1.872 203 HD1 HIS 29 1HD HIS 29 3.194 1.427 4.865 204 HD2 HIS 29 2HD HIS 29 3.262 1.499 0.661 205 HE1 HIS 29 1HE HIS 29 4.747 -0.457 4.168 206 H ILE 30 H ILE 30 2.281 5.026 0.327 207 HA ILE 30 HA ILE 30 4.921 4.394 -0.711 208 HB ILE 30 HB ILE 30 2.483 5.798 -1.854 209 HG12 ILE 30 1HG1 ILE 30 3.809 3.147 -2.604 210 HG13 ILE 30 2HG1 ILE 30 2.505 3.265 -1.427 211 HG21 ILE 30 1HG2 ILE 30 3.708 5.655 -4.078 212 HG22 ILE 30 2HG2 ILE 30 4.381 6.828 -2.949 213 HG23 ILE 30 3HG2 ILE 30 5.168 5.245 -3.153 214 HD11 ILE 30 3HD1 ILE 30 1.511 2.671 -3.522 215 HD12 ILE 30 1HD1 ILE 30 1.072 4.366 -3.160 216 HD13 ILE 30 2HD1 ILE 30 2.323 3.988 -4.371 217 H TRP 31 H TRP 31 3.251 7.517 -0.114 218 HA TRP 31 HA TRP 31 5.425 9.220 -0.675 219 HB2 TRP 31 1HB TRP 31 3.142 9.433 1.289 220 HB3 TRP 31 2HB TRP 31 4.296 10.735 1.060 221 HD1 TRP 31 1HD TRP 31 4.561 10.518 -2.124 222 HE1 TRP 31 1HE TRP 31 2.681 11.328 -3.622 223 HE3 TRP 31 3HE TRP 31 0.751 10.568 1.315 224 HZ2 TRP 31 2HZ TRP 31 -0.137 11.961 -3.385 225 HZ3 TRP 31 3HZ TRP 31 -1.520 11.316 0.647 226 HH2 TRP 31 2HH TRP 31 -1.979 12.007 -1.695 227 H ALA 32 H ALA 32 4.976 7.182 2.158 228 HA ALA 32 HA ALA 32 7.103 8.339 3.745 229 HB1 ALA 32 1HB ALA 32 5.857 5.563 3.832 230 HB2 ALA 32 2HB ALA 32 6.854 6.307 5.097 231 HB3 ALA 32 3HB ALA 32 5.267 6.998 4.702 232 H HIS 33 H HIS 33 7.049 5.649 1.338 233 HA HIS 33 HA HIS 33 9.867 4.997 1.617 234 HB2 HIS 33 1HB HIS 33 7.908 4.547 -0.670 235 HB3 HIS 33 2HB HIS 33 9.552 3.931 -0.614 236 HD1 HIS 33 1HD HIS 33 9.985 2.354 1.814 237 HD2 HIS 33 2HD HIS 33 6.216 2.722 0.001 238 HE1 HIS 33 1HE HIS 33 8.672 0.308 2.537 239 H GLU 34 H GLU 34 8.047 7.287 -0.417 240 HA GLU 34 HA GLU 34 10.376 8.374 -1.772 241 HB2 GLU 34 1HB GLU 34 7.524 9.325 -1.375 242 HB3 GLU 34 2HB GLU 34 8.698 10.270 -2.277 243 HG2 GLU 34 1HG GLU 34 8.069 7.381 -3.002 244 HG3 GLU 34 2HG GLU 34 7.147 8.743 -3.618 245 H GLY 35 H GLY 35 9.700 8.552 1.481 246 HA2 GLY 35 1HA GLY 35 10.892 9.634 3.108 247 HA3 GLY 35 2HA GLY 35 11.748 10.554 1.872 248 H VAL 36 H VAL 36 8.269 10.819 1.808 249 HA VAL 36 HA VAL 36 8.345 13.655 2.488 250 HB VAL 36 HB VAL 36 5.942 11.843 2.077 251 HG11 VAL 36 1HG1 VAL 36 4.760 13.952 1.519 252 HG12 VAL 36 2HG1 VAL 36 5.314 13.939 3.191 253 HG13 VAL 36 3HG1 VAL 36 6.207 14.879 1.971 254 HG21 VAL 36 3HG2 VAL 36 7.406 13.633 0.083 255 HG22 VAL 36 1HG2 VAL 36 7.349 11.858 0.041 256 HG23 VAL 36 2HG2 VAL 36 5.872 12.785 -0.219 257 H LYS 37 H LYS 37 7.806 14.638 4.362 258 HA LYS 37 HA LYS 37 7.960 13.164 6.840 259 HB2 LYS 37 1HB LYS 37 7.345 16.093 6.272 260 HB3 LYS 37 2HB LYS 37 7.590 15.406 7.882 261 HG2 LYS 37 1HG LYS 37 9.875 14.656 7.220 262 HG3 LYS 37 2HG LYS 37 9.658 15.425 5.636 263 HD2 LYS 37 1HD LYS 37 9.358 17.627 6.740 264 HD3 LYS 37 2HD LYS 37 9.569 16.857 8.329 265 HE2 LYS 37 1HE LYS 37 11.838 16.095 7.651 266 HE3 LYS 37 2HE LYS 37 11.632 16.874 6.077 267 HZ1 LYS 37 3HZ LYS 37 11.644 18.293 8.691 268 HZ2 LYS 37 1HZ LYS 37 11.452 19.013 7.236 269 HZ3 LYS 37 2HZ LYS 37 12.866 18.293 7.611 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 3.142 -14.952 -12.899 2 H2 GLY 1 2H GLY 1 4.328 -14.312 -11.969 3 H3 GLY 1 3H GLY 1 3.247 -13.326 -12.712 4 HA2 GLY 1 1HA GLY 1 2.731 -13.499 -10.369 5 HA3 GLY 1 2HA GLY 1 1.441 -14.172 -11.381 6 H SER 2 H SER 2 2.210 -14.770 -8.578 7 HA SER 2 HA SER 2 2.574 -17.732 -8.764 8 HB2 SER 2 1HB SER 2 3.986 -15.886 -6.799 9 HB3 SER 2 2HB SER 2 4.038 -17.658 -6.788 10 HG SER 2 HG SER 2 5.864 -16.730 -7.840 11 H SER 3 H SER 3 1.616 -18.942 -7.103 12 HA SER 3 HA SER 3 -0.827 -17.908 -6.024 13 HB2 SER 3 1HB SER 3 0.638 -20.486 -5.349 14 HB3 SER 3 2HB SER 3 -1.060 -20.118 -4.995 15 HG SER 3 HG SER 3 -0.808 -21.348 -6.931 16 H GLY 4 H GLY 4 -1.481 -17.437 -3.941 17 HA2 GLY 4 1HA GLY 4 -0.330 -17.921 -1.491 18 HA3 GLY 4 2HA GLY 4 0.522 -16.480 -2.051 19 H SER 5 H SER 5 -0.535 -15.762 0.038 20 HA SER 5 HA SER 5 -3.326 -15.176 0.183 21 HB2 SER 5 1HB SER 5 -1.028 -13.842 1.659 22 HB3 SER 5 2HB SER 5 -2.736 -13.849 2.137 23 HG SER 5 HG SER 5 -1.523 -15.454 3.247 24 H SER 6 H SER 6 -1.152 -13.743 -1.893 25 HA SER 6 HA SER 6 -1.989 -10.970 -1.824 26 HB2 SER 6 1HB SER 6 -0.662 -10.864 -3.925 27 HB3 SER 6 2HB SER 6 0.220 -11.605 -2.574 28 HG SER 6 HG SER 6 0.433 -12.804 -4.538 29 H GLY 7 H GLY 7 -3.646 -13.720 -2.931 30 HA2 GLY 7 1HA GLY 7 -4.757 -13.032 -5.394 31 HA3 GLY 7 2HA GLY 7 -5.586 -13.981 -4.162 32 H ARG 8 H ARG 8 -6.013 -11.481 -6.100 33 HA ARG 8 HA ARG 8 -7.199 -9.576 -6.281 34 HB2 ARG 8 1HB ARG 8 -8.966 -10.826 -4.151 35 HB3 ARG 8 2HB ARG 8 -9.405 -9.471 -5.196 36 HG2 ARG 8 1HG ARG 8 -9.045 -10.911 -7.206 37 HG3 ARG 8 2HG ARG 8 -8.756 -12.296 -6.131 38 HD2 ARG 8 1HD ARG 8 -11.012 -12.027 -5.163 39 HD3 ARG 8 2HD ARG 8 -11.296 -10.618 -6.206 40 HE ARG 8 HE ARG 8 -10.554 -12.876 -7.813 41 HH11 ARG 8 2HH1 ARG 8 -13.324 -11.730 -5.998 42 HH12 ARG 8 1HH1 ARG 8 -14.456 -12.594 -7.003 43 HH21 ARG 8 2HH2 ARG 8 -12.051 -13.953 -9.053 44 HH22 ARG 8 1HH2 ARG 8 -13.745 -13.822 -8.685 45 H ALA 9 H ALA 9 -5.018 -9.567 -4.180 46 HA ALA 9 HA ALA 9 -5.744 -6.954 -2.913 47 HB1 ALA 9 1HB ALA 9 -3.838 -7.299 -1.471 48 HB2 ALA 9 2HB ALA 9 -4.892 -8.731 -1.384 49 HB3 ALA 9 3HB ALA 9 -3.378 -8.774 -2.335 50 H MET 10 H MET 10 -3.712 -5.524 -2.748 51 HA MET 10 HA MET 10 -2.226 -5.418 -5.341 52 HB2 MET 10 1HB MET 10 -2.436 -3.159 -5.411 53 HB3 MET 10 2HB MET 10 -3.936 -3.567 -4.581 54 HG2 MET 10 1HG MET 10 -3.170 -1.794 -3.328 55 HG3 MET 10 2HG MET 10 -2.590 -3.160 -2.387 56 HE1 MET 10 3HE MET 10 0.028 -3.359 -1.664 57 HE2 MET 10 1HE MET 10 0.798 -1.764 -1.647 58 HE3 MET 10 2HE MET 10 -0.849 -1.944 -1.046 59 H LYS 11 H LYS 11 0.026 -4.880 -5.215 60 HA LYS 11 HA LYS 11 1.300 -5.266 -2.533 61 HB2 LYS 11 1HB LYS 11 1.623 -7.145 -4.221 62 HB3 LYS 11 2HB LYS 11 2.584 -6.012 -5.181 63 HG2 LYS 11 1HG LYS 11 4.119 -5.675 -3.252 64 HG3 LYS 11 2HG LYS 11 3.098 -6.725 -2.255 65 HD2 LYS 11 1HD LYS 11 3.587 -8.613 -3.866 66 HD3 LYS 11 2HD LYS 11 4.742 -7.542 -4.692 67 HE2 LYS 11 1HE LYS 11 6.010 -7.242 -2.619 68 HE3 LYS 11 2HE LYS 11 4.787 -8.136 -1.702 69 HZ1 LYS 11 3HZ LYS 11 5.366 -10.120 -2.967 70 HZ2 LYS 11 1HZ LYS 11 6.657 -9.527 -2.146 71 HZ3 LYS 11 2HZ LYS 11 6.548 -9.314 -3.776 72 H CYS 12 H CYS 12 2.790 -3.848 -1.864 73 HA CYS 12 HA CYS 12 2.714 -1.210 -2.773 74 HB2 CYS 12 1HB CYS 12 3.208 -1.925 -0.513 75 HB3 CYS 12 2HB CYS 12 4.693 -2.718 -1.042 76 HA PRO 13 HA PRO 13 5.692 -1.234 -6.086 77 HB2 PRO 13 1HB PRO 13 6.001 1.500 -6.449 78 HB3 PRO 13 2HB PRO 13 4.649 0.505 -7.054 79 HG2 PRO 13 1HG PRO 13 4.721 2.296 -4.643 80 HG3 PRO 13 2HG PRO 13 3.368 1.970 -5.763 81 HD2 PRO 13 1HD PRO 13 3.598 0.816 -3.284 82 HD3 PRO 13 2HD PRO 13 2.728 0.084 -4.661 83 H TYR 14 H TYR 14 6.466 -0.374 -2.909 84 HA TYR 14 HA TYR 14 9.389 -0.088 -3.572 85 HB2 TYR 14 1HB TYR 14 7.761 1.226 -1.399 86 HB3 TYR 14 2HB TYR 14 9.514 1.259 -1.455 87 HD1 TYR 14 1HD TYR 14 6.441 2.327 -3.240 88 HD2 TYR 14 2HD TYR 14 10.686 2.868 -2.779 89 HE1 TYR 14 1HE TYR 14 6.352 4.320 -4.758 90 HE2 TYR 14 2HE TYR 14 10.580 4.924 -4.194 91 HH TYR 14 HH TYR 14 7.534 6.014 -5.737 92 H CYS 15 H CYS 15 7.032 -1.694 -1.438 93 HA CYS 15 HA CYS 15 9.262 -3.339 -0.354 94 HB2 CYS 15 1HB CYS 15 8.613 -3.129 1.887 95 HB3 CYS 15 2HB CYS 15 8.780 -1.508 1.238 96 H ASP 16 H ASP 16 8.199 -5.099 1.188 97 HA ASP 16 HA ASP 16 6.938 -6.848 -0.759 98 HB2 ASP 16 1HB ASP 16 8.901 -7.418 0.716 99 HB3 ASP 16 2HB ASP 16 7.787 -7.468 2.084 100 H PHE 17 H PHE 17 5.513 -4.742 1.402 101 HA PHE 17 HA PHE 17 3.456 -6.525 2.463 102 HB2 PHE 17 1HB PHE 17 4.003 -3.568 2.778 103 HB3 PHE 17 2HB PHE 17 2.605 -4.358 3.481 104 HD1 PHE 17 1HD PHE 17 6.303 -4.100 3.643 105 HD2 PHE 17 2HD PHE 17 2.783 -5.929 5.338 106 HE1 PHE 17 1HE PHE 17 7.630 -4.840 5.606 107 HE2 PHE 17 2HE PHE 17 4.114 -6.665 7.301 108 HZ PHE 17 HZ PHE 17 6.539 -6.123 7.438 109 H TYR 18 H TYR 18 1.214 -6.131 2.390 110 HA TYR 18 HA TYR 18 0.222 -5.364 -0.313 111 HB2 TYR 18 1HB TYR 18 -0.761 -7.541 1.569 112 HB3 TYR 18 2HB TYR 18 -1.454 -7.149 0.005 113 HD1 TYR 18 2HD TYR 18 -0.319 -7.729 -2.088 114 HD2 TYR 18 1HD TYR 18 1.380 -8.752 1.743 115 HE1 TYR 18 2HE TYR 18 1.291 -9.227 -3.208 116 HE2 TYR 18 1HE TYR 18 2.996 -10.261 0.625 117 HH TYR 18 HH TYR 18 3.675 -11.192 -1.351 118 H PHE 19 H PHE 19 -1.876 -4.577 -0.531 119 HA PHE 19 HA PHE 19 -3.402 -3.822 1.917 120 HB2 PHE 19 1HB PHE 19 -2.867 -1.962 -0.429 121 HB3 PHE 19 2HB PHE 19 -4.221 -1.796 0.639 122 HD1 PHE 19 1HD PHE 19 -0.457 -2.184 1.120 123 HD2 PHE 19 2HD PHE 19 -4.100 -0.125 2.178 124 HE1 PHE 19 1HE PHE 19 0.819 -0.691 2.617 125 HE2 PHE 19 2HE PHE 19 -2.810 1.364 3.679 126 HZ PHE 19 HZ PHE 19 -0.352 1.084 3.907 127 H MET 20 H MET 20 -5.586 -4.106 1.743 128 HA MET 20 HA MET 20 -6.587 -5.667 -0.537 129 HB2 MET 20 1HB MET 20 -8.572 -6.001 0.822 130 HB3 MET 20 2HB MET 20 -7.104 -6.403 1.709 131 HG2 MET 20 1HG MET 20 -7.202 -4.265 2.917 132 HG3 MET 20 2HG MET 20 -8.633 -3.783 2.015 133 HE1 MET 20 3HE MET 20 -11.032 -4.593 2.433 134 HE2 MET 20 1HE MET 20 -10.584 -6.247 1.956 135 HE3 MET 20 2HE MET 20 -11.473 -5.969 3.466 136 H LYS 21 H LYS 21 -6.441 -2.371 0.106 137 HA LYS 21 HA LYS 21 -8.437 -1.707 -1.994 138 HB2 LYS 21 1HB LYS 21 -8.139 -0.315 0.703 139 HB3 LYS 21 2HB LYS 21 -9.090 0.328 -0.621 140 HG2 LYS 21 1HG LYS 21 -9.744 -2.350 0.682 141 HG3 LYS 21 2HG LYS 21 -10.289 -0.812 1.309 142 HD2 LYS 21 1HD LYS 21 -12.089 -1.634 0.092 143 HD3 LYS 21 2HD LYS 21 -11.415 -0.337 -0.896 144 HE2 LYS 21 1HE LYS 21 -10.324 -2.008 -2.360 145 HE3 LYS 21 2HE LYS 21 -10.866 -3.314 -1.300 146 HZ1 LYS 21 3HZ LYS 21 -13.163 -2.727 -1.862 147 HZ2 LYS 21 1HZ LYS 21 -12.328 -3.061 -3.222 148 HZ3 LYS 21 2HZ LYS 21 -12.666 -1.512 -2.836 149 H ASN 22 H ASN 22 -8.094 0.418 -2.916 150 HA ASN 22 HA ASN 22 -5.219 1.185 -3.011 151 HB2 ASN 22 1HB ASN 22 -5.600 1.882 -5.274 152 HB3 ASN 22 2HB ASN 22 -6.179 0.235 -5.079 153 HD21 ASN 22 1HD2 ASN 22 -7.016 1.597 -7.276 154 HD22 ASN 22 2HD2 ASN 22 -8.706 2.044 -7.087 155 H GLY 23 H GLY 23 -7.320 2.209 -1.066 156 HA2 GLY 23 1HA GLY 23 -7.925 4.955 -1.715 157 HA3 GLY 23 2HA GLY 23 -8.089 4.177 -0.146 158 H SER 24 H SER 24 -7.435 6.588 0.200 159 HA SER 24 HA SER 24 -4.916 7.610 -0.316 160 HB2 SER 24 1HB SER 24 -6.639 8.212 2.114 161 HB3 SER 24 2HB SER 24 -5.393 9.262 1.410 162 HG SER 24 HG SER 24 -7.512 9.825 0.703 163 H ASP 25 H ASP 25 -5.684 5.357 2.305 164 HA ASP 25 HA ASP 25 -3.384 5.809 3.950 165 HB2 ASP 25 1HB ASP 25 -4.993 3.274 3.434 166 HB3 ASP 25 2HB ASP 25 -3.797 3.467 4.713 167 H LEU 26 H LEU 26 -3.788 3.856 0.979 168 HA LEU 26 HA LEU 26 -1.107 2.727 1.044 169 HB2 LEU 26 1HB LEU 26 -2.880 1.617 -0.203 170 HB3 LEU 26 2HB LEU 26 -3.162 3.063 -1.174 171 HG LEU 26 HG LEU 26 -0.915 2.865 -2.187 172 HD11 LEU 26 1HD1 LEU 26 0.356 0.735 -1.896 173 HD12 LEU 26 2HD1 LEU 26 -0.735 0.302 -0.557 174 HD13 LEU 26 3HD1 LEU 26 0.335 1.709 -0.426 175 HD21 LEU 26 3HD2 LEU 26 -2.580 0.340 -2.372 176 HD22 LEU 26 1HD2 LEU 26 -1.377 0.913 -3.559 177 HD23 LEU 26 2HD2 LEU 26 -2.850 1.853 -3.274 178 H GLN 27 H GLN 27 -2.616 5.636 -0.436 179 HA GLN 27 HA GLN 27 -0.320 6.490 -1.885 180 HB2 GLN 27 1HB GLN 27 -2.650 7.291 -2.212 181 HB3 GLN 27 2HB GLN 27 -2.552 8.181 -0.685 182 HG2 GLN 27 1HG GLN 27 -0.760 9.576 -1.555 183 HG3 GLN 27 2HG GLN 27 -0.668 8.609 -3.035 184 HE21 GLN 27 1HE2 GLN 27 -2.909 10.751 -1.164 185 HE22 GLN 27 2HE2 GLN 27 -3.806 11.261 -2.586 186 H ARG 28 H ARG 28 -1.335 7.197 1.501 187 HA ARG 28 HA ARG 28 0.987 8.808 2.137 188 HB2 ARG 28 1HB ARG 28 -0.687 7.170 4.073 189 HB3 ARG 28 2HB ARG 28 0.394 8.502 4.456 190 HG2 ARG 28 1HG ARG 28 -1.462 9.554 2.548 191 HG3 ARG 28 2HG ARG 28 -2.393 8.521 3.631 192 HD2 ARG 28 1HD ARG 28 -2.537 10.580 4.661 193 HD3 ARG 28 2HD ARG 28 -1.253 9.805 5.578 194 HE ARG 28 HE ARG 28 -0.995 11.955 3.502 195 HH11 ARG 28 2HH1 ARG 28 0.648 10.258 6.120 196 HH12 ARG 28 1HH1 ARG 28 1.976 11.409 6.099 197 HH21 ARG 28 2HH2 ARG 28 0.733 13.344 3.596 198 HH22 ARG 28 1HH2 ARG 28 2.007 13.065 4.759 199 H HIS 29 H HIS 29 0.368 5.305 2.524 200 HA HIS 29 HA HIS 29 2.867 4.607 3.697 201 HB2 HIS 29 1HB HIS 29 0.982 3.076 3.599 202 HB3 HIS 29 2HB HIS 29 1.032 3.045 1.839 203 HD1 HIS 29 1HD HIS 29 2.843 1.558 4.854 204 HD2 HIS 29 2HD HIS 29 2.946 1.571 0.652 205 HE1 HIS 29 1HE HIS 29 4.422 -0.317 4.197 206 H ILE 30 H ILE 30 2.044 5.049 0.236 207 HA ILE 30 HA ILE 30 4.689 4.326 -0.708 208 HB ILE 30 HB ILE 30 2.300 5.726 -1.952 209 HG12 ILE 30 1HG1 ILE 30 3.618 3.041 -2.574 210 HG13 ILE 30 2HG1 ILE 30 2.284 3.217 -1.439 211 HG21 ILE 30 1HG2 ILE 30 3.561 5.521 -4.147 212 HG22 ILE 30 2HG2 ILE 30 4.222 6.716 -3.039 213 HG23 ILE 30 3HG2 ILE 30 5.007 5.132 -3.186 214 HD11 ILE 30 3HD1 ILE 30 2.187 3.819 -4.412 215 HD12 ILE 30 1HD1 ILE 30 1.337 2.546 -3.527 216 HD13 ILE 30 2HD1 ILE 30 0.907 4.257 -3.252 217 H TRP 31 H TRP 31 3.086 7.507 -0.317 218 HA TRP 31 HA TRP 31 5.249 9.216 -0.839 219 HB2 TRP 31 1HB TRP 31 2.987 9.350 1.167 220 HB3 TRP 31 2HB TRP 31 4.130 10.655 0.998 221 HD1 TRP 31 1HD TRP 31 4.065 9.985 -2.392 222 HE1 TRP 31 1HE TRP 31 2.305 11.258 -3.670 223 HE3 TRP 31 3HE TRP 31 0.973 11.202 1.516 224 HZ2 TRP 31 2HZ TRP 31 -0.151 12.713 -3.102 225 HZ3 TRP 31 3HZ TRP 31 -1.084 12.549 1.102 226 HH2 TRP 31 2HH TRP 31 -1.638 13.323 -1.188 227 H ALA 32 H ALA 32 4.725 7.257 2.065 228 HA ALA 32 HA ALA 32 6.814 8.440 3.646 229 HB1 ALA 32 1HB ALA 32 4.921 7.164 4.592 230 HB2 ALA 32 2HB ALA 32 5.525 5.684 3.812 231 HB3 ALA 32 3HB ALA 32 6.475 6.468 5.090 232 H HIS 33 H HIS 33 6.873 5.750 1.277 233 HA HIS 33 HA HIS 33 9.641 5.005 1.816 234 HB2 HIS 33 1HB HIS 33 7.853 4.540 -0.604 235 HB3 HIS 33 2HB HIS 33 9.471 3.885 -0.400 236 HD1 HIS 33 1HD HIS 33 9.682 2.364 2.078 237 HD2 HIS 33 2HD HIS 33 6.049 2.790 0.017 238 HE1 HIS 33 1HE HIS 33 8.262 0.383 2.770 239 H GLU 34 H GLU 34 8.052 7.399 -0.269 240 HA GLU 34 HA GLU 34 10.543 8.363 -1.455 241 HB2 GLU 34 1HB GLU 34 7.783 9.638 -1.313 242 HB3 GLU 34 2HB GLU 34 9.148 10.235 -2.256 243 HG2 GLU 34 1HG GLU 34 9.201 8.077 -3.514 244 HG3 GLU 34 2HG GLU 34 7.744 7.564 -2.655 245 H GLY 35 H GLY 35 9.638 8.472 1.710 246 HA2 GLY 35 1HA GLY 35 10.688 9.520 3.471 247 HA3 GLY 35 2HA GLY 35 11.513 10.610 2.355 248 H VAL 36 H VAL 36 8.171 10.707 1.765 249 HA VAL 36 HA VAL 36 7.935 13.396 2.926 250 HB VAL 36 HB VAL 36 5.932 11.784 1.319 251 HG11 VAL 36 1HG1 VAL 36 4.829 13.595 2.533 252 HG12 VAL 36 2HG1 VAL 36 6.049 14.759 1.953 253 HG13 VAL 36 3HG1 VAL 36 4.919 13.988 0.820 254 HG21 VAL 36 3HG2 VAL 36 6.633 13.191 -0.599 255 HG22 VAL 36 1HG2 VAL 36 7.943 13.873 0.396 256 HG23 VAL 36 2HG2 VAL 36 7.934 12.146 -0.033 257 H LYS 37 H LYS 37 6.525 14.011 4.539 258 HA LYS 37 HA LYS 37 5.945 11.911 6.529 259 HB2 LYS 37 1HB LYS 37 5.975 14.953 6.762 260 HB3 LYS 37 2HB LYS 37 5.609 13.822 8.062 261 HG2 LYS 37 1HG LYS 37 7.819 14.222 8.491 262 HG3 LYS 37 2HG LYS 37 7.928 12.749 7.540 263 HD2 LYS 37 1HD LYS 37 8.485 14.214 5.510 264 HD3 LYS 37 2HD LYS 37 8.403 15.612 6.584 265 HE2 LYS 37 1HE LYS 37 10.697 15.066 6.340 266 HE3 LYS 37 2HE LYS 37 10.239 14.572 7.972 267 HZ1 LYS 37 3HZ LYS 37 10.428 12.738 5.627 268 HZ2 LYS 37 1HZ LYS 37 10.100 12.280 7.164 269 HZ3 LYS 37 2HZ LYS 37 11.570 12.879 6.792 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -0.246 -11.170 3.508 2 H2 GLY 1 2H GLY 1 0.859 -12.377 3.400 3 H3 GLY 1 3H GLY 1 -0.513 -12.599 4.265 4 HA2 GLY 1 1HA GLY 1 -1.868 -12.471 2.281 5 HA3 GLY 1 2HA GLY 1 -0.387 -12.200 1.342 6 H SER 2 H SER 2 -2.563 -14.490 1.657 7 HA SER 2 HA SER 2 -0.983 -16.792 2.475 8 HB2 SER 2 1HB SER 2 -3.051 -18.055 1.804 9 HB3 SER 2 2HB SER 2 -3.236 -16.848 3.084 10 HG SER 2 HG SER 2 -4.923 -16.612 1.642 11 H SER 3 H SER 3 -0.245 -18.458 1.322 12 HA SER 3 HA SER 3 1.000 -17.932 -1.150 13 HB2 SER 3 1HB SER 3 0.573 -20.610 0.233 14 HB3 SER 3 2HB SER 3 1.827 -20.227 -0.960 15 HG SER 3 HG SER 3 2.615 -20.093 1.192 16 H GLY 4 H GLY 4 1.025 -19.483 -3.042 17 HA2 GLY 4 1HA GLY 4 0.038 -20.524 -4.835 18 HA3 GLY 4 2HA GLY 4 -1.230 -21.087 -3.741 19 H SER 5 H SER 5 -0.588 -17.669 -4.286 20 HA SER 5 HA SER 5 -1.902 -15.947 -4.882 21 HB2 SER 5 1HB SER 5 -2.901 -17.731 -7.117 22 HB3 SER 5 2HB SER 5 -2.984 -15.965 -7.053 23 HG SER 5 HG SER 5 -0.717 -15.882 -7.076 24 H SER 6 H SER 6 -3.083 -17.865 -2.903 25 HA SER 6 HA SER 6 -5.968 -17.484 -3.131 26 HB2 SER 6 1HB SER 6 -4.166 -18.108 -0.766 27 HB3 SER 6 2HB SER 6 -5.935 -18.024 -0.678 28 HG SER 6 HG SER 6 -6.063 -19.724 -2.178 29 H GLY 7 H GLY 7 -3.277 -15.630 -1.674 30 HA2 GLY 7 1HA GLY 7 -5.018 -13.390 -0.862 31 HA3 GLY 7 2HA GLY 7 -3.254 -13.451 -0.803 32 H ARG 8 H ARG 8 -5.673 -11.838 -2.243 33 HA ARG 8 HA ARG 8 -4.260 -11.422 -4.858 34 HB2 ARG 8 1HB ARG 8 -7.260 -11.688 -4.418 35 HB3 ARG 8 2HB ARG 8 -6.469 -11.280 -5.950 36 HG2 ARG 8 1HG ARG 8 -5.199 -13.437 -5.843 37 HG3 ARG 8 2HG ARG 8 -6.133 -13.880 -4.404 38 HD2 ARG 8 1HD ARG 8 -8.224 -13.744 -5.713 39 HD3 ARG 8 2HD ARG 8 -7.276 -13.333 -7.165 40 HE ARG 8 HE ARG 8 -6.215 -15.715 -5.997 41 HH11 ARG 8 2HH1 ARG 8 -9.077 -14.783 -7.800 42 HH12 ARG 8 1HH1 ARG 8 -9.303 -16.390 -8.438 43 HH21 ARG 8 2HH2 ARG 8 -6.552 -17.703 -6.821 44 HH22 ARG 8 1HH2 ARG 8 -7.893 -18.014 -7.891 45 H ALA 9 H ALA 9 -4.280 -9.827 -2.313 46 HA ALA 9 HA ALA 9 -5.315 -7.197 -3.034 47 HB1 ALA 9 1HB ALA 9 -3.876 -6.485 -1.128 48 HB2 ALA 9 2HB ALA 9 -4.970 -7.814 -0.697 49 HB3 ALA 9 3HB ALA 9 -3.245 -8.134 -1.003 50 H MET 10 H MET 10 -3.754 -5.312 -3.223 51 HA MET 10 HA MET 10 -1.814 -5.778 -5.380 52 HB2 MET 10 1HB MET 10 -1.882 -3.531 -5.748 53 HB3 MET 10 2HB MET 10 -3.455 -3.768 -4.997 54 HG2 MET 10 1HG MET 10 -2.716 -1.883 -3.929 55 HG3 MET 10 2HG MET 10 -2.249 -3.118 -2.774 56 HE1 MET 10 3HE MET 10 1.070 -1.765 -1.896 57 HE2 MET 10 1HE MET 10 -0.611 -2.045 -1.433 58 HE3 MET 10 2HE MET 10 0.403 -3.401 -1.929 59 H LYS 11 H LYS 11 0.467 -5.190 -5.197 60 HA LYS 11 HA LYS 11 1.576 -5.359 -2.421 61 HB2 LYS 11 1HB LYS 11 1.838 -7.406 -3.907 62 HB3 LYS 11 2HB LYS 11 2.953 -6.447 -4.890 63 HG2 LYS 11 1HG LYS 11 4.416 -6.112 -2.911 64 HG3 LYS 11 2HG LYS 11 3.227 -6.946 -1.887 65 HD2 LYS 11 1HD LYS 11 3.505 -8.987 -3.351 66 HD3 LYS 11 2HD LYS 11 4.839 -8.165 -4.176 67 HE2 LYS 11 1HE LYS 11 6.148 -8.066 -2.163 68 HE3 LYS 11 2HE LYS 11 4.755 -8.503 -1.155 69 HZ1 LYS 11 3HZ LYS 11 4.763 -10.695 -2.101 70 HZ2 LYS 11 1HZ LYS 11 6.255 -10.395 -1.514 71 HZ3 LYS 11 2HZ LYS 11 5.997 -10.339 -3.126 72 H CYS 12 H CYS 12 3.039 -3.933 -1.800 73 HA CYS 12 HA CYS 12 3.042 -1.386 -2.839 74 HB2 CYS 12 1HB CYS 12 3.444 -1.964 -0.544 75 HB3 CYS 12 2HB CYS 12 4.914 -2.848 -0.959 76 HA PRO 13 HA PRO 13 6.148 -1.396 -6.007 77 HB2 PRO 13 1HB PRO 13 6.458 1.323 -6.411 78 HB3 PRO 13 2HB PRO 13 5.104 0.325 -7.013 79 HG2 PRO 13 1HG PRO 13 5.166 2.146 -4.621 80 HG3 PRO 13 2HG PRO 13 3.827 1.831 -5.762 81 HD2 PRO 13 1HD PRO 13 3.997 0.709 -3.275 82 HD3 PRO 13 2HD PRO 13 3.142 -0.037 -4.655 83 H TYR 14 H TYR 14 6.816 -0.499 -2.819 84 HA TYR 14 HA TYR 14 9.761 -0.235 -3.388 85 HB2 TYR 14 1HB TYR 14 8.083 1.079 -1.249 86 HB3 TYR 14 2HB TYR 14 9.836 1.103 -1.269 87 HD1 TYR 14 1HD TYR 14 6.796 2.230 -3.068 88 HD2 TYR 14 2HD TYR 14 11.057 2.665 -2.618 89 HE1 TYR 14 1HE TYR 14 6.756 4.234 -4.574 90 HE2 TYR 14 2HE TYR 14 10.999 4.715 -4.042 91 HH TYR 14 HH TYR 14 7.979 5.882 -5.576 92 H CYS 15 H CYS 15 7.322 -1.851 -1.379 93 HA CYS 15 HA CYS 15 9.467 -3.564 -0.247 94 HB2 CYS 15 1HB CYS 15 8.819 -3.308 1.990 95 HB3 CYS 15 2HB CYS 15 9.031 -1.692 1.342 96 H ASP 16 H ASP 16 8.104 -5.155 1.417 97 HA ASP 16 HA ASP 16 6.725 -6.886 -0.499 98 HB2 ASP 16 1HB ASP 16 7.077 -8.640 1.101 99 HB3 ASP 16 2HB ASP 16 8.567 -7.736 0.882 100 H PHE 17 H PHE 17 5.521 -4.507 1.496 101 HA PHE 17 HA PHE 17 3.370 -5.979 2.753 102 HB2 PHE 17 1HB PHE 17 4.616 -3.884 3.567 103 HB3 PHE 17 2HB PHE 17 3.562 -2.977 2.491 104 HD1 PHE 17 2HD PHE 17 3.731 -5.142 5.512 105 HD2 PHE 17 1HD PHE 17 1.204 -2.647 3.073 106 HE1 PHE 17 2HE PHE 17 2.012 -5.127 7.306 107 HE2 PHE 17 1HE PHE 17 -0.510 -2.621 4.867 108 HZ PHE 17 HZ PHE 17 -0.110 -3.862 6.990 109 H TYR 18 H TYR 18 1.109 -5.694 2.501 110 HA TYR 18 HA TYR 18 0.230 -5.139 -0.288 111 HB2 TYR 18 1HB TYR 18 -0.847 -7.101 1.761 112 HB3 TYR 18 2HB TYR 18 -1.568 -6.793 0.194 113 HD1 TYR 18 1HD TYR 18 1.501 -8.122 1.865 114 HD2 TYR 18 2HD TYR 18 -0.787 -7.880 -1.784 115 HE1 TYR 18 1HE TYR 18 2.948 -9.844 0.843 116 HE2 TYR 18 2HE TYR 18 0.646 -9.612 -2.805 117 HH TYR 18 HH TYR 18 2.336 -11.135 -2.461 118 H PHE 19 H PHE 19 -1.760 -4.199 -0.731 119 HA PHE 19 HA PHE 19 -3.493 -3.306 1.500 120 HB2 PHE 19 1HB PHE 19 -2.390 -1.381 -0.576 121 HB3 PHE 19 2HB PHE 19 -3.850 -1.079 0.310 122 HD1 PHE 19 1HD PHE 19 -0.163 -1.383 0.695 123 HD2 PHE 19 2HD PHE 19 -3.904 -0.425 2.613 124 HE1 PHE 19 1HE PHE 19 1.061 -0.293 2.546 125 HE2 PHE 19 2HE PHE 19 -2.666 0.625 4.491 126 HZ PHE 19 HZ PHE 19 -0.180 0.717 4.449 127 H MET 20 H MET 20 -5.611 -2.723 0.902 128 HA MET 20 HA MET 20 -6.620 -3.936 -1.626 129 HB2 MET 20 1HB MET 20 -8.794 -4.122 -0.468 130 HB3 MET 20 2HB MET 20 -7.501 -5.065 0.241 131 HG2 MET 20 1HG MET 20 -8.831 -4.130 1.999 132 HG3 MET 20 2HG MET 20 -7.222 -3.439 2.051 133 HE1 MET 20 3HE MET 20 -11.042 -2.829 1.661 134 HE2 MET 20 1HE MET 20 -11.133 -1.207 0.943 135 HE3 MET 20 2HE MET 20 -10.548 -2.574 -0.027 136 H LYS 21 H LYS 21 -8.905 -2.796 -2.100 137 HA LYS 21 HA LYS 21 -8.092 -0.515 -3.520 138 HB2 LYS 21 1HB LYS 21 -10.284 -0.559 -4.515 139 HB3 LYS 21 2HB LYS 21 -9.667 -2.195 -4.328 140 HG2 LYS 21 1HG LYS 21 -11.099 -2.535 -2.332 141 HG3 LYS 21 2HG LYS 21 -11.692 -0.869 -2.459 142 HD2 LYS 21 1HD LYS 21 -12.638 -1.377 -4.698 143 HD3 LYS 21 2HD LYS 21 -12.046 -3.048 -4.566 144 HE2 LYS 21 1HE LYS 21 -13.432 -3.376 -2.528 145 HE3 LYS 21 2HE LYS 21 -14.019 -1.712 -2.654 146 HZ1 LYS 21 3HZ LYS 21 -15.014 -2.297 -4.804 147 HZ2 LYS 21 1HZ LYS 21 -15.592 -3.279 -3.637 148 HZ3 LYS 21 2HZ LYS 21 -14.474 -3.835 -4.687 149 H ASN 22 H ASN 22 -8.519 -0.046 -0.388 150 HA ASN 22 HA ASN 22 -10.221 2.303 -0.294 151 HB2 ASN 22 1HB ASN 22 -9.615 0.970 1.699 152 HB3 ASN 22 2HB ASN 22 -7.918 1.409 1.489 153 HD21 ASN 22 1HD2 ASN 22 -7.619 2.559 3.383 154 HD22 ASN 22 2HD2 ASN 22 -8.533 4.028 3.764 155 H GLY 23 H GLY 23 -6.749 1.813 -0.924 156 HA2 GLY 23 1HA GLY 23 -5.332 2.974 -2.293 157 HA3 GLY 23 2HA GLY 23 -6.662 4.046 -2.714 158 H SER 24 H SER 24 -7.129 5.288 -0.142 159 HA SER 24 HA SER 24 -5.109 7.322 -0.251 160 HB2 SER 24 1HB SER 24 -6.293 8.272 1.709 161 HB3 SER 24 2HB SER 24 -7.373 7.850 0.368 162 HG SER 24 HG SER 24 -8.197 7.144 2.394 163 H ASP 25 H ASP 25 -5.482 4.540 1.846 164 HA ASP 25 HA ASP 25 -3.338 5.192 3.704 165 HB2 ASP 25 1HB ASP 25 -3.591 2.771 4.329 166 HB3 ASP 25 2HB ASP 25 -4.996 3.798 4.542 167 H LEU 26 H LEU 26 -3.569 3.110 0.792 168 HA LEU 26 HA LEU 26 -0.830 2.359 0.688 169 HB2 LEU 26 1HB LEU 26 -2.526 1.265 -0.664 170 HB3 LEU 26 2HB LEU 26 -2.887 2.765 -1.518 171 HG LEU 26 HG LEU 26 -0.636 2.776 -2.538 172 HD11 LEU 26 1HD1 LEU 26 -0.294 0.162 -1.034 173 HD12 LEU 26 2HD1 LEU 26 0.705 1.611 -0.863 174 HD13 LEU 26 3HD1 LEU 26 0.760 0.685 -2.366 175 HD21 LEU 26 3HD2 LEU 26 -2.127 0.160 -2.880 176 HD22 LEU 26 1HD2 LEU 26 -0.949 0.859 -4.020 177 HD23 LEU 26 2HD2 LEU 26 -2.482 1.693 -3.709 178 H GLN 27 H GLN 27 -2.455 5.245 -0.740 179 HA GLN 27 HA GLN 27 -0.170 6.381 -1.989 180 HB2 GLN 27 1HB GLN 27 -2.672 7.598 -0.771 181 HB3 GLN 27 2HB GLN 27 -1.429 8.583 -1.554 182 HG2 GLN 27 1HG GLN 27 -1.695 7.455 -3.657 183 HG3 GLN 27 2HG GLN 27 -2.774 6.252 -2.968 184 HE21 GLN 27 1HE2 GLN 27 -3.834 7.357 -5.115 185 HE22 GLN 27 2HE2 GLN 27 -5.015 8.593 -4.698 186 H ARG 28 H ARG 28 -1.366 6.898 1.378 187 HA ARG 28 HA ARG 28 0.846 8.524 2.196 188 HB2 ARG 28 1HB ARG 28 -1.311 8.379 3.405 189 HB3 ARG 28 2HB ARG 28 -0.961 6.710 3.850 190 HG2 ARG 28 1HG ARG 28 -0.547 8.224 5.716 191 HG3 ARG 28 2HG ARG 28 0.954 7.441 5.221 192 HD2 ARG 28 1HD ARG 28 1.642 9.486 4.011 193 HD3 ARG 28 2HD ARG 28 0.099 10.260 4.432 194 HE ARG 28 HE ARG 28 1.380 9.394 6.830 195 HH11 ARG 28 2HH1 ARG 28 1.862 11.913 4.385 196 HH12 ARG 28 1HH1 ARG 28 2.716 12.912 5.570 197 HH21 ARG 28 2HH2 ARG 28 2.490 10.856 8.182 198 HH22 ARG 28 1HH2 ARG 28 3.024 12.381 7.465 199 H HIS 29 H HIS 29 0.455 4.969 2.376 200 HA HIS 29 HA HIS 29 2.944 4.412 3.648 201 HB2 HIS 29 1HB HIS 29 1.124 2.804 3.468 202 HB3 HIS 29 2HB HIS 29 1.249 2.788 1.711 203 HD1 HIS 29 1HD HIS 29 2.994 1.367 4.796 204 HD2 HIS 29 2HD HIS 29 3.232 1.383 0.598 205 HE1 HIS 29 1HE HIS 29 4.617 -0.490 4.191 206 H ILE 30 H ILE 30 2.206 4.866 0.164 207 HA ILE 30 HA ILE 30 4.915 4.281 -0.703 208 HB ILE 30 HB ILE 30 2.511 5.591 -2.017 209 HG12 ILE 30 1HG1 ILE 30 3.949 2.961 -2.619 210 HG13 ILE 30 2HG1 ILE 30 2.561 3.075 -1.542 211 HG21 ILE 30 1HG2 ILE 30 3.850 5.461 -4.163 212 HG22 ILE 30 2HG2 ILE 30 4.448 6.652 -3.014 213 HG23 ILE 30 3HG2 ILE 30 5.272 5.080 -3.166 214 HD11 ILE 30 3HD1 ILE 30 2.577 3.723 -4.510 215 HD12 ILE 30 1HD1 ILE 30 1.738 2.406 -3.691 216 HD13 ILE 30 2HD1 ILE 30 1.232 4.096 -3.404 217 H TRP 31 H TRP 31 3.130 7.365 -0.305 218 HA TRP 31 HA TRP 31 5.247 9.149 -0.793 219 HB2 TRP 31 1HB TRP 31 2.911 9.273 1.123 220 HB3 TRP 31 2HB TRP 31 3.981 10.639 0.854 221 HD1 TRP 31 1HD TRP 31 4.216 10.086 -2.375 222 HE1 TRP 31 1HE TRP 31 2.310 10.791 -3.875 223 HE3 TRP 31 3HE TRP 31 0.536 10.538 1.173 224 HZ2 TRP 31 2HZ TRP 31 -0.500 11.491 -3.608 225 HZ3 TRP 31 3HZ TRP 31 -1.752 11.243 0.512 226 HH2 TRP 31 2HH TRP 31 -2.283 11.717 -1.869 227 H ALA 32 H ALA 32 4.692 7.186 2.091 228 HA ALA 32 HA ALA 32 6.709 8.426 3.747 229 HB1 ALA 32 1HB ALA 32 6.405 6.427 5.151 230 HB2 ALA 32 2HB ALA 32 4.838 7.090 4.645 231 HB3 ALA 32 3HB ALA 32 5.488 5.637 3.854 232 H HIS 33 H HIS 33 6.852 5.672 1.419 233 HA HIS 33 HA HIS 33 9.654 5.064 1.913 234 HB2 HIS 33 1HB HIS 33 7.860 4.529 -0.488 235 HB3 HIS 33 2HB HIS 33 9.513 3.966 -0.327 236 HD1 HIS 33 1HD HIS 33 9.864 2.414 2.115 237 HD2 HIS 33 2HD HIS 33 6.184 2.660 0.107 238 HE1 HIS 33 1HE HIS 33 8.588 0.319 2.760 239 H GLU 34 H GLU 34 7.950 7.316 -0.270 240 HA GLU 34 HA GLU 34 10.382 8.388 -1.456 241 HB2 GLU 34 1HB GLU 34 7.556 9.506 -1.316 242 HB3 GLU 34 2HB GLU 34 8.882 10.213 -2.239 243 HG2 GLU 34 1HG GLU 34 9.124 8.046 -3.484 244 HG3 GLU 34 2HG GLU 34 7.657 7.467 -2.688 245 H GLY 35 H GLY 35 9.486 8.572 1.726 246 HA2 GLY 35 1HA GLY 35 10.546 9.685 3.430 247 HA3 GLY 35 2HA GLY 35 11.408 10.681 2.259 248 H VAL 36 H VAL 36 7.973 10.776 1.875 249 HA VAL 36 HA VAL 36 7.843 13.567 2.784 250 HB VAL 36 HB VAL 36 5.644 11.795 1.670 251 HG11 VAL 36 1HG1 VAL 36 4.546 13.941 1.098 252 HG12 VAL 36 2HG1 VAL 36 4.728 13.745 2.838 253 HG13 VAL 36 3HG1 VAL 36 5.833 14.823 1.949 254 HG21 VAL 36 3HG2 VAL 36 6.036 12.981 -0.474 255 HG22 VAL 36 1HG2 VAL 36 7.463 13.774 0.235 256 HG23 VAL 36 2HG2 VAL 36 7.430 12.011 -0.002 257 H LYS 37 H LYS 37 6.843 14.326 4.575 258 HA LYS 37 HA LYS 37 5.584 12.428 6.519 259 HB2 LYS 37 1HB LYS 37 7.625 14.611 7.098 260 HB3 LYS 37 2HB LYS 37 6.665 13.768 8.319 261 HG2 LYS 37 1HG LYS 37 7.669 11.602 7.649 262 HG3 LYS 37 2HG LYS 37 8.605 12.414 6.389 263 HD2 LYS 37 1HD LYS 37 10.044 12.006 8.264 264 HD3 LYS 37 2HD LYS 37 9.791 13.750 8.109 265 HE2 LYS 37 1HE LYS 37 8.104 13.668 9.933 266 HE3 LYS 37 2HE LYS 37 8.315 11.916 10.057 267 HZ1 LYS 37 3HZ LYS 37 9.631 13.092 11.726 268 HZ2 LYS 37 1HZ LYS 37 10.438 13.931 10.583 269 HZ3 LYS 37 2HZ LYS 37 10.634 12.312 10.703 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -2.954 -10.140 10.788 2 H2 GLY 1 2H GLY 1 -1.347 -10.459 10.738 3 H3 GLY 1 3H GLY 1 -2.431 -11.671 10.528 4 HA2 GLY 1 1HA GLY 1 -2.017 -9.396 8.695 5 HA3 GLY 1 2HA GLY 1 -1.473 -11.060 8.410 6 H SER 2 H SER 2 -2.707 -11.232 6.487 7 HA SER 2 HA SER 2 -5.592 -10.859 6.447 8 HB2 SER 2 1HB SER 2 -5.403 -11.832 4.170 9 HB3 SER 2 2HB SER 2 -4.342 -10.442 4.447 10 HG SER 2 HG SER 2 -3.257 -12.176 3.388 11 H SER 3 H SER 3 -7.142 -12.524 5.915 12 HA SER 3 HA SER 3 -6.540 -15.326 6.564 13 HB2 SER 3 1HB SER 3 -6.931 -14.143 8.777 14 HB3 SER 3 2HB SER 3 -8.585 -13.807 8.231 15 HG SER 3 HG SER 3 -8.397 -15.748 9.490 16 H GLY 4 H GLY 4 -8.450 -16.715 6.274 17 HA2 GLY 4 1HA GLY 4 -10.368 -17.449 5.222 18 HA3 GLY 4 2HA GLY 4 -10.831 -15.782 4.911 19 H SER 5 H SER 5 -11.554 -17.382 3.037 20 HA SER 5 HA SER 5 -9.696 -18.090 0.987 21 HB2 SER 5 1HB SER 5 -12.695 -17.623 0.787 22 HB3 SER 5 2HB SER 5 -11.688 -18.495 -0.384 23 HG SER 5 HG SER 5 -12.744 -19.916 1.090 24 H SER 6 H SER 6 -9.428 -17.267 -1.116 25 HA SER 6 HA SER 6 -8.848 -15.675 -2.613 26 HB2 SER 6 1HB SER 6 -11.590 -14.555 -1.973 27 HB3 SER 6 2HB SER 6 -10.648 -14.271 -3.450 28 HG SER 6 HG SER 6 -12.194 -15.958 -3.707 29 H GLY 7 H GLY 7 -7.798 -15.086 -0.039 30 HA2 GLY 7 1HA GLY 7 -8.092 -12.336 0.690 31 HA3 GLY 7 2HA GLY 7 -6.874 -13.461 1.279 32 H ARG 8 H ARG 8 -6.793 -13.036 -2.149 33 HA ARG 8 HA ARG 8 -4.170 -11.820 -2.080 34 HB2 ARG 8 1HB ARG 8 -4.233 -11.906 -4.499 35 HB3 ARG 8 2HB ARG 8 -4.720 -13.437 -3.776 36 HG2 ARG 8 1HG ARG 8 -7.124 -12.861 -4.221 37 HG3 ARG 8 2HG ARG 8 -6.593 -11.360 -5.009 38 HD2 ARG 8 1HD ARG 8 -5.275 -12.700 -6.643 39 HD3 ARG 8 2HD ARG 8 -5.772 -14.180 -5.829 40 HE ARG 8 HE ARG 8 -7.915 -14.031 -6.738 41 HH11 ARG 8 2HH1 ARG 8 -6.169 -11.133 -7.665 42 HH12 ARG 8 1HH1 ARG 8 -7.351 -10.706 -8.872 43 HH21 ARG 8 2HH2 ARG 8 -9.373 -13.424 -8.286 44 HH22 ARG 8 1HH2 ARG 8 -9.116 -11.971 -9.207 45 H ALA 9 H ALA 9 -3.461 -9.879 -2.913 46 HA ALA 9 HA ALA 9 -5.314 -7.556 -2.951 47 HB1 ALA 9 1HB ALA 9 -4.919 -8.036 -0.586 48 HB2 ALA 9 2HB ALA 9 -3.174 -8.166 -0.865 49 HB3 ALA 9 3HB ALA 9 -3.988 -6.597 -1.023 50 H MET 10 H MET 10 -3.878 -5.445 -3.060 51 HA MET 10 HA MET 10 -2.014 -5.740 -5.313 52 HB2 MET 10 1HB MET 10 -2.328 -3.541 -5.715 53 HB3 MET 10 2HB MET 10 -3.788 -3.801 -4.778 54 HG2 MET 10 1HG MET 10 -3.015 -1.869 -3.869 55 HG3 MET 10 2HG MET 10 -2.387 -3.051 -2.732 56 HE1 MET 10 3HE MET 10 0.113 -3.042 -1.990 57 HE2 MET 10 1HE MET 10 0.927 -1.499 -2.304 58 HE3 MET 10 2HE MET 10 -0.732 -1.511 -1.707 59 H LYS 11 H LYS 11 0.231 -5.168 -5.254 60 HA LYS 11 HA LYS 11 1.544 -5.431 -2.573 61 HB2 LYS 11 1HB LYS 11 2.011 -7.220 -4.266 62 HB3 LYS 11 2HB LYS 11 2.665 -5.984 -5.345 63 HG2 LYS 11 1HG LYS 11 4.310 -5.391 -3.478 64 HG3 LYS 11 2HG LYS 11 3.751 -6.821 -2.615 65 HD2 LYS 11 1HD LYS 11 4.595 -8.269 -4.354 66 HD3 LYS 11 2HD LYS 11 4.873 -6.913 -5.462 67 HE2 LYS 11 1HE LYS 11 6.250 -7.213 -2.765 68 HE3 LYS 11 2HE LYS 11 6.951 -7.801 -4.271 69 HZ1 LYS 11 3HZ LYS 11 7.137 -5.587 -5.084 70 HZ2 LYS 11 1HZ LYS 11 7.645 -5.493 -3.521 71 HZ3 LYS 11 2HZ LYS 11 6.182 -4.943 -3.919 72 H CYS 12 H CYS 12 2.861 -3.889 -1.800 73 HA CYS 12 HA CYS 12 3.001 -1.266 -2.700 74 HB2 CYS 12 1HB CYS 12 3.466 -2.034 -0.447 75 HB3 CYS 12 2HB CYS 12 4.910 -2.900 -1.001 76 HA PRO 13 HA PRO 13 6.015 -1.565 -5.981 77 HB2 PRO 13 1HB PRO 13 6.246 1.102 -6.638 78 HB3 PRO 13 2HB PRO 13 4.893 0.032 -7.098 79 HG2 PRO 13 1HG PRO 13 4.988 2.084 -4.908 80 HG3 PRO 13 2HG PRO 13 3.622 1.619 -5.957 81 HD2 PRO 13 1HD PRO 13 3.969 0.747 -3.356 82 HD3 PRO 13 2HD PRO 13 3.007 -0.100 -4.600 83 H TYR 14 H TYR 14 6.710 -0.376 -2.894 84 HA TYR 14 HA TYR 14 9.618 0.062 -3.549 85 HB2 TYR 14 1HB TYR 14 7.846 1.298 -1.445 86 HB3 TYR 14 2HB TYR 14 9.598 1.420 -1.412 87 HD1 TYR 14 1HD TYR 14 6.577 2.274 -3.385 88 HD2 TYR 14 2HD TYR 14 10.746 3.076 -2.695 89 HE1 TYR 14 1HE TYR 14 6.455 4.236 -4.943 90 HE2 TYR 14 2HE TYR 14 10.604 5.093 -4.160 91 HH TYR 14 HH TYR 14 7.592 5.980 -5.889 92 H CYS 15 H CYS 15 7.377 -1.629 -1.379 93 HA CYS 15 HA CYS 15 9.699 -3.184 -0.354 94 HB2 CYS 15 1HB CYS 15 8.978 -3.224 1.862 95 HB3 CYS 15 2HB CYS 15 9.090 -1.554 1.352 96 H ASP 16 H ASP 16 7.255 -4.409 1.237 97 HA ASP 16 HA ASP 16 6.371 -6.357 -0.825 98 HB2 ASP 16 1HB ASP 16 8.562 -7.105 0.219 99 HB3 ASP 16 2HB ASP 16 7.711 -7.233 1.757 100 H PHE 17 H PHE 17 5.267 -4.247 1.300 101 HA PHE 17 HA PHE 17 3.337 -5.912 2.744 102 HB2 PHE 17 1HB PHE 17 4.478 -3.685 3.497 103 HB3 PHE 17 2HB PHE 17 3.199 -2.910 2.575 104 HD1 PHE 17 2HD PHE 17 0.811 -3.142 3.340 105 HD2 PHE 17 1HD PHE 17 4.062 -4.919 5.544 106 HE1 PHE 17 2HE PHE 17 -0.685 -3.450 5.287 107 HE2 PHE 17 1HE PHE 17 2.560 -5.231 7.498 108 HZ PHE 17 HZ PHE 17 0.184 -4.496 7.375 109 H TYR 18 H TYR 18 1.096 -5.940 2.470 110 HA TYR 18 HA TYR 18 0.140 -5.262 -0.256 111 HB2 TYR 18 1HB TYR 18 -0.643 -7.466 1.666 112 HB3 TYR 18 2HB TYR 18 -1.541 -7.081 0.208 113 HD1 TYR 18 1HD TYR 18 1.812 -8.190 1.439 114 HD2 TYR 18 2HD TYR 18 -0.831 -7.817 -1.950 115 HE1 TYR 18 1HE TYR 18 3.420 -9.439 0.055 116 HE2 TYR 18 2HE TYR 18 0.767 -9.111 -3.338 117 HH TYR 18 HH TYR 18 3.881 -10.327 -2.023 118 H PHE 19 H PHE 19 -1.869 -4.430 -0.684 119 HA PHE 19 HA PHE 19 -3.567 -3.478 1.574 120 HB2 PHE 19 1HB PHE 19 -2.522 -1.704 -0.657 121 HB3 PHE 19 2HB PHE 19 -3.852 -1.286 0.377 122 HD1 PHE 19 1HD PHE 19 -0.168 -2.043 0.485 123 HD2 PHE 19 2HD PHE 19 -3.558 -0.253 2.467 124 HE1 PHE 19 1HE PHE 19 1.351 -0.966 2.117 125 HE2 PHE 19 2HE PHE 19 -2.030 0.800 4.112 126 HZ PHE 19 HZ PHE 19 0.421 0.435 3.949 127 H MET 20 H MET 20 -5.696 -3.058 1.092 128 HA MET 20 HA MET 20 -6.859 -4.337 -1.313 129 HB2 MET 20 1HB MET 20 -8.130 -3.111 1.172 130 HB3 MET 20 2HB MET 20 -9.012 -3.927 -0.116 131 HG2 MET 20 1HG MET 20 -6.964 -5.177 1.736 132 HG3 MET 20 2HG MET 20 -8.702 -5.422 1.765 133 HE1 MET 20 3HE MET 20 -10.068 -6.825 0.003 134 HE2 MET 20 1HE MET 20 -9.459 -5.872 -1.373 135 HE3 MET 20 2HE MET 20 -9.351 -7.642 -1.404 136 H LYS 21 H LYS 21 -9.051 -2.905 -1.860 137 HA LYS 21 HA LYS 21 -8.086 -0.877 -3.615 138 HB2 LYS 21 1HB LYS 21 -10.920 -1.650 -2.806 139 HB3 LYS 21 2HB LYS 21 -10.517 -0.571 -4.146 140 HG2 LYS 21 1HG LYS 21 -9.227 -2.370 -5.250 141 HG3 LYS 21 2HG LYS 21 -9.651 -3.488 -3.940 142 HD2 LYS 21 1HD LYS 21 -12.050 -3.224 -4.464 143 HD3 LYS 21 2HD LYS 21 -11.648 -2.084 -5.767 144 HE2 LYS 21 1HE LYS 21 -10.322 -3.859 -6.900 145 HE3 LYS 21 2HE LYS 21 -10.738 -4.994 -5.609 146 HZ1 LYS 21 3HZ LYS 21 -12.697 -3.697 -7.433 147 HZ2 LYS 21 1HZ LYS 21 -13.083 -4.745 -6.241 148 HZ3 LYS 21 2HZ LYS 21 -12.211 -5.251 -7.523 149 H ASN 22 H ASN 22 -8.538 -0.398 -0.365 150 HA ASN 22 HA ASN 22 -9.540 2.359 -0.433 151 HB2 ASN 22 1HB ASN 22 -8.300 0.653 1.768 152 HB3 ASN 22 2HB ASN 22 -8.882 2.299 1.997 153 HD21 ASN 22 1HD2 ASN 22 -9.958 0.443 3.612 154 HD22 ASN 22 2HD2 ASN 22 -11.612 0.113 3.115 155 H GLY 23 H GLY 23 -7.926 2.765 -2.229 156 HA2 GLY 23 1HA GLY 23 -5.156 2.758 -1.928 157 HA3 GLY 23 2HA GLY 23 -6.049 3.752 -3.078 158 H SER 24 H SER 24 -7.323 5.216 -0.637 159 HA SER 24 HA SER 24 -5.652 7.469 -0.553 160 HB2 SER 24 1HB SER 24 -7.633 6.582 1.580 161 HB3 SER 24 2HB SER 24 -7.052 8.233 1.288 162 HG SER 24 HG SER 24 -9.096 7.856 0.307 163 H ASP 25 H ASP 25 -5.591 4.626 1.611 164 HA ASP 25 HA ASP 25 -3.547 5.889 3.337 165 HB2 ASP 25 1HB ASP 25 -5.421 4.475 4.233 166 HB3 ASP 25 2HB ASP 25 -4.666 3.075 3.460 167 H LEU 26 H LEU 26 -3.684 3.575 0.675 168 HA LEU 26 HA LEU 26 -0.973 2.616 0.852 169 HB2 LEU 26 1HB LEU 26 -2.609 1.458 -0.496 170 HB3 LEU 26 2HB LEU 26 -2.930 2.904 -1.453 171 HG LEU 26 HG LEU 26 -0.699 2.827 -2.447 172 HD11 LEU 26 1HD1 LEU 26 0.652 1.837 -0.681 173 HD12 LEU 26 2HD1 LEU 26 0.733 0.796 -2.098 174 HD13 LEU 26 3HD1 LEU 26 -0.309 0.362 -0.717 175 HD21 LEU 26 3HD2 LEU 26 -2.156 0.155 -2.600 176 HD22 LEU 26 1HD2 LEU 26 -1.000 0.808 -3.786 177 HD23 LEU 26 2HD2 LEU 26 -2.549 1.618 -3.520 178 H GLN 27 H GLN 27 -2.442 5.518 -0.698 179 HA GLN 27 HA GLN 27 -0.062 6.547 -1.867 180 HB2 GLN 27 1HB GLN 27 -2.469 7.956 -0.652 181 HB3 GLN 27 2HB GLN 27 -1.170 8.815 -1.468 182 HG2 GLN 27 1HG GLN 27 -2.845 6.645 -2.794 183 HG3 GLN 27 2HG GLN 27 -3.186 8.366 -2.890 184 HE21 GLN 27 1HE2 GLN 27 -2.952 7.242 -5.281 185 HE22 GLN 27 2HE2 GLN 27 -1.381 7.587 -5.995 186 H ARG 28 H ARG 28 -1.240 6.924 1.525 187 HA ARG 28 HA ARG 28 0.998 8.518 2.411 188 HB2 ARG 28 1HB ARG 28 -0.667 6.616 4.117 189 HB3 ARG 28 2HB ARG 28 0.350 7.950 4.663 190 HG2 ARG 28 1HG ARG 28 -1.171 9.469 3.220 191 HG3 ARG 28 2HG ARG 28 -2.285 8.099 3.164 192 HD2 ARG 28 1HD ARG 28 -1.262 9.513 5.656 193 HD3 ARG 28 2HD ARG 28 -2.876 9.679 4.953 194 HE ARG 28 HE ARG 28 -2.570 6.925 5.485 195 HH11 ARG 28 2HH1 ARG 28 -2.628 9.831 7.469 196 HH12 ARG 28 1HH1 ARG 28 -3.201 8.945 8.857 197 HH21 ARG 28 2HH2 ARG 28 -3.271 5.925 7.173 198 HH22 ARG 28 1HH2 ARG 28 -3.567 6.740 8.713 199 H HIS 29 H HIS 29 0.492 4.989 2.454 200 HA HIS 29 HA HIS 29 2.971 4.291 3.675 201 HB2 HIS 29 1HB HIS 29 1.087 2.749 3.408 202 HB3 HIS 29 2HB HIS 29 1.281 2.764 1.656 203 HD1 HIS 29 1HD HIS 29 3.011 1.372 4.797 204 HD2 HIS 29 2HD HIS 29 3.216 1.268 0.600 205 HE1 HIS 29 1HE HIS 29 4.653 -0.479 4.235 206 H ILE 30 H ILE 30 2.238 4.865 0.203 207 HA ILE 30 HA ILE 30 4.940 4.241 -0.668 208 HB ILE 30 HB ILE 30 2.544 5.581 -1.960 209 HG12 ILE 30 1HG1 ILE 30 3.990 2.958 -2.590 210 HG13 ILE 30 2HG1 ILE 30 2.604 3.066 -1.504 211 HG21 ILE 30 1HG2 ILE 30 3.876 5.474 -4.116 212 HG22 ILE 30 2HG2 ILE 30 4.459 6.667 -2.960 213 HG23 ILE 30 3HG2 ILE 30 5.306 5.112 -3.122 214 HD11 ILE 30 3HD1 ILE 30 1.766 2.402 -3.640 215 HD12 ILE 30 1HD1 ILE 30 1.273 4.099 -3.355 216 HD13 ILE 30 2HD1 ILE 30 2.611 3.711 -4.468 217 H TRP 31 H TRP 31 3.221 7.359 -0.249 218 HA TRP 31 HA TRP 31 5.354 9.121 -0.716 219 HB2 TRP 31 1HB TRP 31 3.057 9.236 1.251 220 HB3 TRP 31 2HB TRP 31 4.148 10.585 1.000 221 HD1 TRP 31 1HD TRP 31 4.283 10.064 -2.270 222 HE1 TRP 31 1HE TRP 31 2.367 10.894 -3.686 223 HE3 TRP 31 3HE TRP 31 0.749 10.611 1.412 224 HZ2 TRP 31 2HZ TRP 31 -0.386 11.757 -3.305 225 HZ3 TRP 31 3HZ TRP 31 -1.518 11.459 0.846 226 HH2 TRP 31 2HH TRP 31 -2.096 12.035 -1.500 227 H ALA 32 H ALA 32 4.809 7.124 2.155 228 HA ALA 32 HA ALA 32 6.842 8.333 3.808 229 HB1 ALA 32 1HB ALA 32 5.599 5.550 3.885 230 HB2 ALA 32 2HB ALA 32 6.537 6.306 5.188 231 HB3 ALA 32 3HB ALA 32 4.976 6.999 4.708 232 H HIS 33 H HIS 33 6.960 5.623 1.438 233 HA HIS 33 HA HIS 33 9.754 4.970 1.935 234 HB2 HIS 33 1HB HIS 33 7.954 4.464 -0.468 235 HB3 HIS 33 2HB HIS 33 9.594 3.864 -0.293 236 HD1 HIS 33 1HD HIS 33 9.891 2.323 2.167 237 HD2 HIS 33 2HD HIS 33 6.230 2.638 0.136 238 HE1 HIS 33 1HE HIS 33 8.560 0.268 2.825 239 H GLU 34 H GLU 34 8.070 7.279 -0.191 240 HA GLU 34 HA GLU 34 10.513 8.316 -1.400 241 HB2 GLU 34 1HB GLU 34 7.706 9.479 -1.229 242 HB3 GLU 34 2HB GLU 34 9.039 10.167 -2.158 243 HG2 GLU 34 1HG GLU 34 9.219 8.008 -3.429 244 HG3 GLU 34 2HG GLU 34 7.754 7.449 -2.617 245 H GLY 35 H GLY 35 9.625 8.468 1.787 246 HA2 GLY 35 1HA GLY 35 10.675 9.548 3.513 247 HA3 GLY 35 2HA GLY 35 11.576 10.534 2.361 248 H VAL 36 H VAL 36 8.135 10.680 1.967 249 HA VAL 36 HA VAL 36 8.082 13.496 2.794 250 HB VAL 36 HB VAL 36 5.833 11.758 1.732 251 HG11 VAL 36 1HG1 VAL 36 4.979 13.785 2.815 252 HG12 VAL 36 2HG1 VAL 36 6.128 14.786 1.894 253 HG13 VAL 36 3HG1 VAL 36 4.816 13.919 1.068 254 HG21 VAL 36 3HG2 VAL 36 7.731 13.611 0.234 255 HG22 VAL 36 1HG2 VAL 36 7.634 11.843 0.068 256 HG23 VAL 36 2HG2 VAL 36 6.280 12.846 -0.454 257 H LYS 37 H LYS 37 7.110 14.354 4.549 258 HA LYS 37 HA LYS 37 5.398 12.783 6.351 259 HB2 LYS 37 1HB LYS 37 6.723 13.100 8.319 260 HB3 LYS 37 2HB LYS 37 7.732 12.346 7.100 261 HG2 LYS 37 1HG LYS 37 9.236 13.906 7.794 262 HG3 LYS 37 2HG LYS 37 8.432 14.894 6.588 263 HD2 LYS 37 1HD LYS 37 6.863 15.468 8.787 264 HD3 LYS 37 2HD LYS 37 8.361 15.009 9.590 265 HE2 LYS 37 1HE LYS 37 8.690 17.299 9.299 266 HE3 LYS 37 2HE LYS 37 9.507 16.634 7.879 267 HZ1 LYS 37 3HZ LYS 37 6.849 17.928 8.011 268 HZ2 LYS 37 1HZ LYS 37 7.217 16.982 6.749 269 HZ3 LYS 37 2HZ LYS 37 8.108 18.341 7.055 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -5.901 -25.678 4.901 2 H2 GLY 1 2H GLY 1 -4.311 -26.022 4.711 3 H3 GLY 1 3H GLY 1 -5.134 -25.260 3.516 4 HA2 GLY 1 1HA GLY 1 -4.576 -24.140 6.186 5 HA3 GLY 1 2HA GLY 1 -3.725 -23.698 4.693 6 H SER 2 H SER 2 -5.205 -21.936 6.462 7 HA SER 2 HA SER 2 -7.728 -21.272 5.069 8 HB2 SER 2 1HB SER 2 -6.411 -20.032 7.507 9 HB3 SER 2 2HB SER 2 -8.009 -19.617 6.866 10 HG SER 2 HG SER 2 -7.178 -22.157 7.876 11 H SER 3 H SER 3 -4.482 -20.314 4.661 12 HA SER 3 HA SER 3 -4.772 -17.539 4.075 13 HB2 SER 3 1HB SER 3 -2.713 -19.504 3.003 14 HB3 SER 3 2HB SER 3 -2.574 -17.735 3.025 15 HG SER 3 HG SER 3 -1.493 -18.709 4.806 16 H GLY 4 H GLY 4 -4.807 -16.399 2.107 17 HA2 GLY 4 1HA GLY 4 -6.485 -17.436 0.013 18 HA3 GLY 4 2HA GLY 4 -5.623 -15.899 -0.006 19 H SER 5 H SER 5 -6.041 -18.025 -2.075 20 HA SER 5 HA SER 5 -3.221 -18.782 -2.738 21 HB2 SER 5 1HB SER 5 -5.825 -20.055 -3.637 22 HB3 SER 5 2HB SER 5 -4.195 -20.578 -4.092 23 HG SER 5 HG SER 5 -5.250 -20.493 -1.441 24 H SER 6 H SER 6 -4.907 -16.222 -3.448 25 HA SER 6 HA SER 6 -3.924 -15.977 -6.215 26 HB2 SER 6 1HB SER 6 -6.116 -15.136 -7.029 27 HB3 SER 6 2HB SER 6 -6.124 -16.851 -6.612 28 HG SER 6 HG SER 6 -7.963 -15.643 -5.860 29 H GLY 7 H GLY 7 -4.287 -13.705 -7.057 30 HA2 GLY 7 1HA GLY 7 -3.100 -11.819 -5.224 31 HA3 GLY 7 2HA GLY 7 -3.552 -11.531 -6.902 32 H ARG 8 H ARG 8 -5.037 -11.984 -3.704 33 HA ARG 8 HA ARG 8 -7.492 -10.552 -4.373 34 HB2 ARG 8 1HB ARG 8 -6.453 -11.730 -1.764 35 HB3 ARG 8 2HB ARG 8 -8.092 -11.103 -2.003 36 HG2 ARG 8 1HG ARG 8 -8.568 -12.779 -3.710 37 HG3 ARG 8 2HG ARG 8 -6.900 -13.345 -3.686 38 HD2 ARG 8 1HD ARG 8 -7.236 -13.949 -1.233 39 HD3 ARG 8 2HD ARG 8 -8.973 -13.671 -1.512 40 HE ARG 8 HE ARG 8 -7.770 -15.386 -3.530 41 HH11 ARG 8 2HH2 ARG 8 -9.104 -15.584 -0.291 42 HH12 ARG 8 1HH2 ARG 8 -9.452 -17.285 -0.451 43 HH21 ARG 8 1HH1 ARG 8 -8.287 -17.484 -3.693 44 HH22 ARG 8 2HH1 ARG 8 -8.998 -18.342 -2.353 45 H ALA 9 H ALA 9 -4.515 -9.391 -3.381 46 HA ALA 9 HA ALA 9 -5.641 -6.707 -2.840 47 HB1 ALA 9 1HB ALA 9 -4.003 -6.374 -1.008 48 HB2 ALA 9 2HB ALA 9 -5.186 -7.638 -0.610 49 HB3 ALA 9 3HB ALA 9 -3.534 -8.079 -1.112 50 H MET 10 H MET 10 -3.895 -5.029 -2.959 51 HA MET 10 HA MET 10 -2.104 -5.521 -5.262 52 HB2 MET 10 1HB MET 10 -2.140 -3.271 -5.611 53 HB3 MET 10 2HB MET 10 -3.691 -3.483 -4.804 54 HG2 MET 10 1HG MET 10 -2.875 -1.616 -3.760 55 HG3 MET 10 2HG MET 10 -2.416 -2.871 -2.622 56 HE1 MET 10 3HE MET 10 0.962 -1.630 -1.823 57 HE2 MET 10 1HE MET 10 -0.723 -1.807 -1.324 58 HE3 MET 10 2HE MET 10 0.200 -3.228 -1.823 59 H LYS 11 H LYS 11 0.203 -4.950 -5.128 60 HA LYS 11 HA LYS 11 1.368 -5.201 -2.383 61 HB2 LYS 11 1HB LYS 11 1.632 -7.213 -3.898 62 HB3 LYS 11 2HB LYS 11 2.688 -6.220 -4.917 63 HG2 LYS 11 1HG LYS 11 4.205 -5.839 -2.995 64 HG3 LYS 11 2HG LYS 11 3.073 -6.692 -1.926 65 HD2 LYS 11 1HD LYS 11 3.409 -8.757 -3.350 66 HD3 LYS 11 2HD LYS 11 4.706 -7.896 -4.206 67 HE2 LYS 11 1HE LYS 11 5.994 -7.634 -2.199 68 HE3 LYS 11 2HE LYS 11 4.615 -8.056 -1.175 69 HZ1 LYS 11 3HZ LYS 11 4.737 -10.312 -1.953 70 HZ2 LYS 11 1HZ LYS 11 6.168 -9.856 -1.298 71 HZ3 LYS 11 2HZ LYS 11 6.019 -9.978 -2.935 72 H CYS 12 H CYS 12 2.902 -3.837 -1.746 73 HA CYS 12 HA CYS 12 2.964 -1.245 -2.708 74 HB2 CYS 12 1HB CYS 12 3.426 -1.923 -0.438 75 HB3 CYS 12 2HB CYS 12 4.860 -2.818 -0.935 76 HA PRO 13 HA PRO 13 5.952 -1.335 -6.007 77 HB2 PRO 13 1HB PRO 13 6.344 1.379 -6.371 78 HB3 PRO 13 2HB PRO 13 4.942 0.442 -6.958 79 HG2 PRO 13 1HG PRO 13 5.127 2.212 -4.537 80 HG3 PRO 13 2HG PRO 13 3.748 1.960 -5.644 81 HD2 PRO 13 1HD PRO 13 3.970 0.794 -3.180 82 HD3 PRO 13 2HD PRO 13 3.026 0.109 -4.537 83 H TYR 14 H TYR 14 6.720 -0.513 -2.811 84 HA TYR 14 HA TYR 14 9.654 -0.338 -3.452 85 HB2 TYR 14 1HB TYR 14 8.100 1.041 -1.259 86 HB3 TYR 14 2HB TYR 14 9.851 1.027 -1.377 87 HD1 TYR 14 1HD TYR 14 6.736 2.268 -2.927 88 HD2 TYR 14 2HD TYR 14 11.039 2.457 -2.920 89 HE1 TYR 14 1HE TYR 14 6.663 4.253 -4.469 90 HE2 TYR 14 2HE TYR 14 10.963 4.469 -4.389 91 HH TYR 14 HH TYR 14 9.634 5.889 -5.601 92 H CYS 15 H CYS 15 7.231 -1.864 -1.344 93 HA CYS 15 HA CYS 15 9.386 -3.593 -0.245 94 HB2 CYS 15 1HB CYS 15 8.835 -3.265 1.993 95 HB3 CYS 15 2HB CYS 15 8.979 -1.664 1.299 96 H ASP 16 H ASP 16 8.057 -5.110 1.497 97 HA ASP 16 HA ASP 16 6.762 -6.975 -0.335 98 HB2 ASP 16 1HB ASP 16 8.617 -7.546 1.261 99 HB3 ASP 16 2HB ASP 16 7.484 -7.310 2.592 100 H PHE 17 H PHE 17 5.451 -4.520 1.528 101 HA PHE 17 HA PHE 17 3.300 -6.014 2.778 102 HB2 PHE 17 1HB PHE 17 4.576 -3.905 3.599 103 HB3 PHE 17 2HB PHE 17 3.436 -3.009 2.607 104 HD1 PHE 17 1HD PHE 17 3.844 -5.270 5.532 105 HD2 PHE 17 2HD PHE 17 1.092 -2.796 3.326 106 HE1 PHE 17 1HE PHE 17 2.220 -5.398 7.410 107 HE2 PHE 17 2HE PHE 17 -0.524 -2.913 5.201 108 HZ PHE 17 HZ PHE 17 0.034 -4.218 7.248 109 H TYR 18 H TYR 18 1.040 -5.657 2.564 110 HA TYR 18 HA TYR 18 0.133 -5.038 -0.207 111 HB2 TYR 18 1HB TYR 18 -0.928 -7.075 1.780 112 HB3 TYR 18 2HB TYR 18 -1.642 -6.724 0.219 113 HD1 TYR 18 2HD TYR 18 1.399 -8.107 1.886 114 HD2 TYR 18 1HD TYR 18 -0.813 -7.716 -1.796 115 HE1 TYR 18 2HE TYR 18 2.880 -9.771 0.821 116 HE2 TYR 18 1HE TYR 18 0.657 -9.390 -2.863 117 HH TYR 18 HH TYR 18 2.355 -10.923 -2.545 118 H PHE 19 H PHE 19 -1.870 -4.096 -0.575 119 HA PHE 19 HA PHE 19 -3.545 -3.235 1.718 120 HB2 PHE 19 1HB PHE 19 -2.486 -1.283 -0.360 121 HB3 PHE 19 2HB PHE 19 -3.871 -0.972 0.634 122 HD1 PHE 19 1HD PHE 19 -0.169 -1.551 0.837 123 HD2 PHE 19 2HD PHE 19 -3.725 -0.157 2.844 124 HE1 PHE 19 1HE PHE 19 1.229 -0.466 2.566 125 HE2 PHE 19 2HE PHE 19 -2.315 0.881 4.599 126 HZ PHE 19 HZ PHE 19 0.161 0.751 4.455 127 H MET 20 H MET 20 -5.695 -2.579 1.122 128 HA MET 20 HA MET 20 -6.790 -4.063 -1.164 129 HB2 MET 20 1HB MET 20 -8.167 -2.328 0.926 130 HB3 MET 20 2HB MET 20 -8.980 -3.325 -0.278 131 HG2 MET 20 1HG MET 20 -7.234 -4.275 2.014 132 HG3 MET 20 2HG MET 20 -8.969 -4.482 1.842 133 HE1 MET 20 3HE MET 20 -10.125 -6.145 0.108 134 HE2 MET 20 1HE MET 20 -9.241 -5.476 -1.285 135 HE3 MET 20 2HE MET 20 -9.231 -7.222 -0.983 136 H LYS 21 H LYS 21 -8.311 -3.092 -2.648 137 HA LYS 21 HA LYS 21 -7.004 -1.217 -4.259 138 HB2 LYS 21 1HB LYS 21 -8.884 -1.441 -5.764 139 HB3 LYS 21 2HB LYS 21 -8.478 -3.005 -5.065 140 HG2 LYS 21 1HG LYS 21 -10.384 -2.768 -3.453 141 HG3 LYS 21 2HG LYS 21 -10.792 -1.207 -4.188 142 HD2 LYS 21 1HD LYS 21 -11.157 -2.340 -6.371 143 HD3 LYS 21 2HD LYS 21 -10.762 -3.903 -5.611 144 HE2 LYS 21 1HE LYS 21 -12.653 -3.623 -4.038 145 HE3 LYS 21 2HE LYS 21 -13.045 -2.059 -4.764 146 HZ1 LYS 21 3HZ LYS 21 -13.503 -3.217 -6.860 147 HZ2 LYS 21 1HZ LYS 21 -14.435 -3.830 -5.672 148 HZ3 LYS 21 2HZ LYS 21 -13.134 -4.665 -6.195 149 H ASN 22 H ASN 22 -9.035 -0.342 -1.662 150 HA ASN 22 HA ASN 22 -10.086 2.154 -2.622 151 HB2 ASN 22 1HB ASN 22 -9.355 1.236 0.204 152 HB3 ASN 22 2HB ASN 22 -10.325 2.654 -0.185 153 HD21 ASN 22 1HD2 ASN 22 -12.475 2.333 -1.138 154 HD22 ASN 22 2HD2 ASN 22 -13.265 0.776 -0.941 155 H GLY 23 H GLY 23 -6.924 1.290 -1.257 156 HA2 GLY 23 1HA GLY 23 -4.905 2.293 -1.443 157 HA3 GLY 23 2HA GLY 23 -5.620 3.403 -2.607 158 H SER 24 H SER 24 -7.305 3.985 0.231 159 HA SER 24 HA SER 24 -6.407 6.582 0.427 160 HB2 SER 24 1HB SER 24 -7.674 5.009 2.701 161 HB3 SER 24 2HB SER 24 -7.731 6.763 2.447 162 HG SER 24 HG SER 24 -9.641 5.741 1.705 163 H ASP 25 H ASP 25 -5.309 3.889 2.524 164 HA ASP 25 HA ASP 25 -3.327 5.681 3.824 165 HB2 ASP 25 1HB ASP 25 -4.792 4.070 5.112 166 HB3 ASP 25 2HB ASP 25 -3.866 2.755 4.387 167 H LEU 26 H LEU 26 -3.450 3.353 1.244 168 HA LEU 26 HA LEU 26 -0.692 2.574 1.144 169 HB2 LEU 26 1HB LEU 26 -2.402 1.397 -0.129 170 HB3 LEU 26 2HB LEU 26 -2.812 2.871 -1.006 171 HG LEU 26 HG LEU 26 -0.618 2.901 -2.109 172 HD11 LEU 26 1HD1 LEU 26 0.826 0.860 -1.979 173 HD12 LEU 26 2HD1 LEU 26 -0.172 0.287 -0.629 174 HD13 LEU 26 3HD1 LEU 26 0.790 1.760 -0.457 175 HD21 LEU 26 3HD2 LEU 26 -2.521 1.793 -3.166 176 HD22 LEU 26 1HD2 LEU 26 -2.098 0.267 -2.358 177 HD23 LEU 26 2HD2 LEU 26 -0.999 0.984 -3.563 178 H GLN 27 H GLN 27 -2.452 5.399 -0.234 179 HA GLN 27 HA GLN 27 -0.297 6.580 -1.650 180 HB2 GLN 27 1HB GLN 27 -2.650 7.805 -0.149 181 HB3 GLN 27 2HB GLN 27 -1.501 8.762 -1.094 182 HG2 GLN 27 1HG GLN 27 -2.047 7.508 -3.129 183 HG3 GLN 27 2HG GLN 27 -3.157 6.471 -2.235 184 HE21 GLN 27 1HE2 GLN 27 -2.599 9.915 -3.173 185 HE22 GLN 27 2HE2 GLN 27 -4.309 10.327 -3.140 186 H ARG 28 H ARG 28 -1.136 6.903 1.811 187 HA ARG 28 HA ARG 28 1.057 8.656 2.517 188 HB2 ARG 28 1HB ARG 28 -0.525 6.762 4.315 189 HB3 ARG 28 2HB ARG 28 0.460 8.139 4.821 190 HG2 ARG 28 1HG ARG 28 -1.053 9.641 3.490 191 HG3 ARG 28 2HG ARG 28 -2.102 8.252 3.162 192 HD2 ARG 28 1HD ARG 28 -2.422 7.907 5.593 193 HD3 ARG 28 2HD ARG 28 -1.433 9.324 5.938 194 HE ARG 28 HE ARG 28 -4.189 9.244 4.887 195 HH11 ARG 28 2HH1 ARG 28 -1.442 11.362 5.422 196 HH12 ARG 28 1HH1 ARG 28 -2.421 12.799 5.312 197 HH21 ARG 28 2HH2 ARG 28 -5.368 11.115 4.768 198 HH22 ARG 28 1HH2 ARG 28 -4.581 12.656 4.952 199 H HIS 29 H HIS 29 0.648 5.145 2.732 200 HA HIS 29 HA HIS 29 3.185 4.482 3.826 201 HB2 HIS 29 1HB HIS 29 1.281 2.949 3.684 202 HB3 HIS 29 2HB HIS 29 1.371 2.947 1.926 203 HD1 HIS 29 1HD HIS 29 3.113 1.423 4.959 204 HD2 HIS 29 2HD HIS 29 3.282 1.483 0.758 205 HE1 HIS 29 1HE HIS 29 4.648 -0.489 4.304 206 H ILE 30 H ILE 30 2.281 4.987 0.383 207 HA ILE 30 HA ILE 30 4.949 4.385 -0.612 208 HB ILE 30 HB ILE 30 2.483 5.684 -1.820 209 HG12 ILE 30 1HG1 ILE 30 3.910 3.050 -2.451 210 HG13 ILE 30 2HG1 ILE 30 2.547 3.181 -1.341 211 HG21 ILE 30 1HG2 ILE 30 4.378 6.748 -2.909 212 HG22 ILE 30 2HG2 ILE 30 5.185 5.172 -3.109 213 HG23 ILE 30 3HG2 ILE 30 3.712 5.564 -4.025 214 HD11 ILE 30 3HD1 ILE 30 2.502 3.779 -4.317 215 HD12 ILE 30 1HD1 ILE 30 1.663 2.491 -3.456 216 HD13 ILE 30 2HD1 ILE 30 1.185 4.195 -3.189 217 H TRP 31 H TRP 31 3.187 7.483 -0.152 218 HA TRP 31 HA TRP 31 5.290 9.252 -0.737 219 HB2 TRP 31 1HB TRP 31 3.060 9.385 1.296 220 HB3 TRP 31 2HB TRP 31 4.140 10.736 1.004 221 HD1 TRP 31 1HD TRP 31 4.200 10.233 -2.254 222 HE1 TRP 31 1HE TRP 31 2.238 11.019 -3.633 223 HE3 TRP 31 3HE TRP 31 0.720 10.680 1.492 224 HZ2 TRP 31 2HZ TRP 31 -0.530 11.796 -3.202 225 HZ3 TRP 31 3HZ TRP 31 -1.580 11.458 0.968 226 HH2 TRP 31 2HH TRP 31 -2.217 12.020 -1.366 227 H ALA 32 H ALA 32 4.895 7.274 2.168 228 HA ALA 32 HA ALA 32 7.031 8.512 3.673 229 HB1 ALA 32 1HB ALA 32 5.210 7.218 4.724 230 HB2 ALA 32 2HB ALA 32 5.771 5.744 3.902 231 HB3 ALA 32 3HB ALA 32 6.795 6.526 5.125 232 H HIS 33 H HIS 33 6.961 5.676 1.435 233 HA HIS 33 HA HIS 33 9.773 5.033 1.708 234 HB2 HIS 33 1HB HIS 33 7.794 4.517 -0.545 235 HB3 HIS 33 2HB HIS 33 9.441 3.918 -0.505 236 HD1 HIS 33 1HD HIS 33 9.920 2.421 1.983 237 HD2 HIS 33 2HD HIS 33 6.159 2.647 0.137 238 HE1 HIS 33 1HE HIS 33 8.663 0.351 2.731 239 H GLU 34 H GLU 34 7.964 7.285 -0.394 240 HA GLU 34 HA GLU 34 10.306 8.222 -1.842 241 HB2 GLU 34 1HB GLU 34 7.517 9.385 -1.485 242 HB3 GLU 34 2HB GLU 34 8.763 10.086 -2.522 243 HG2 GLU 34 1HG GLU 34 8.910 7.900 -3.753 244 HG3 GLU 34 2HG GLU 34 7.502 7.338 -2.844 245 H GLY 35 H GLY 35 9.535 8.690 1.408 246 HA2 GLY 35 1HA GLY 35 10.601 9.937 3.007 247 HA3 GLY 35 2HA GLY 35 11.641 10.629 1.761 248 H VAL 36 H VAL 36 8.136 10.972 1.530 249 HA VAL 36 HA VAL 36 8.274 13.861 1.443 250 HB VAL 36 HB VAL 36 5.868 12.017 1.657 251 HG11 VAL 36 1HG1 VAL 36 4.602 13.891 0.635 252 HG12 VAL 36 2HG1 VAL 36 5.201 14.294 2.241 253 HG13 VAL 36 3HG1 VAL 36 6.030 14.937 0.801 254 HG21 VAL 36 3HG2 VAL 36 7.167 13.286 -0.796 255 HG22 VAL 36 1HG2 VAL 36 7.208 11.561 -0.379 256 HG23 VAL 36 2HG2 VAL 36 5.671 12.324 -0.786 257 H LYS 37 H LYS 37 7.754 15.376 2.927 258 HA LYS 37 HA LYS 37 6.883 14.629 5.680 259 HB2 LYS 37 1HB LYS 37 9.257 16.404 4.968 260 HB3 LYS 37 2HB LYS 37 8.534 16.268 6.574 261 HG2 LYS 37 1HG LYS 37 9.075 13.843 6.628 262 HG3 LYS 37 2HG LYS 37 9.844 13.983 5.035 263 HD2 LYS 37 1HD LYS 37 11.455 15.633 5.957 264 HD3 LYS 37 2HD LYS 37 10.705 15.459 7.561 265 HE2 LYS 37 1HE LYS 37 11.252 13.034 7.547 266 HE3 LYS 37 2HE LYS 37 11.993 13.206 5.950 267 HZ1 LYS 37 3HZ LYS 37 13.625 14.722 6.943 268 HZ2 LYS 37 1HZ LYS 37 13.662 13.284 7.711 269 HZ3 LYS 37 2HZ LYS 37 12.941 14.564 8.419 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 1.541 -23.259 -8.139 2 H2 GLY 1 2H GLY 1 2.102 -22.861 -6.649 3 H3 GLY 1 3H GLY 1 1.785 -21.686 -7.744 4 HA2 GLY 1 1HA GLY 1 -0.566 -22.185 -7.704 5 HA3 GLY 1 2HA GLY 1 -0.228 -23.470 -6.531 6 H SER 2 H SER 2 -2.057 -21.499 -5.933 7 HA SER 2 HA SER 2 -0.897 -19.365 -4.327 8 HB2 SER 2 1HB SER 2 -3.269 -18.965 -3.679 9 HB3 SER 2 2HB SER 2 -2.978 -18.957 -5.424 10 HG SER 2 HG SER 2 -4.839 -20.177 -4.887 11 H SER 3 H SER 3 -1.316 -19.058 -2.048 12 HA SER 3 HA SER 3 -1.859 -21.405 -0.361 13 HB2 SER 3 1HB SER 3 0.601 -21.498 -0.875 14 HB3 SER 3 2HB SER 3 0.779 -19.910 -0.109 15 HG SER 3 HG SER 3 1.190 -21.680 1.334 16 H GLY 4 H GLY 4 -2.281 -20.853 1.823 17 HA2 GLY 4 1HA GLY 4 -3.005 -19.584 3.603 18 HA3 GLY 4 2HA GLY 4 -2.294 -18.159 2.851 19 H SER 5 H SER 5 -3.793 -18.033 0.467 20 HA SER 5 HA SER 5 -6.676 -18.136 1.062 21 HB2 SER 5 1HB SER 5 -5.975 -15.946 1.989 22 HB3 SER 5 2HB SER 5 -5.281 -15.504 0.417 23 HG SER 5 HG SER 5 -7.481 -14.739 0.859 24 H SER 6 H SER 6 -7.980 -17.986 -0.779 25 HA SER 6 HA SER 6 -6.711 -18.391 -3.424 26 HB2 SER 6 1HB SER 6 -9.024 -18.884 -4.150 27 HB3 SER 6 2HB SER 6 -8.482 -19.916 -2.816 28 HG SER 6 HG SER 6 -10.608 -19.094 -2.474 29 H GLY 7 H GLY 7 -7.823 -15.759 -1.584 30 HA2 GLY 7 1HA GLY 7 -8.900 -14.077 -3.707 31 HA3 GLY 7 2HA GLY 7 -8.474 -13.593 -2.069 32 H ARG 8 H ARG 8 -7.923 -11.760 -3.738 33 HA ARG 8 HA ARG 8 -4.966 -11.760 -4.183 34 HB2 ARG 8 1HB ARG 8 -7.074 -10.702 -6.117 35 HB3 ARG 8 2HB ARG 8 -5.335 -10.418 -6.254 36 HG2 ARG 8 1HG ARG 8 -4.955 -12.885 -6.410 37 HG3 ARG 8 2HG ARG 8 -6.705 -13.143 -6.416 38 HD2 ARG 8 1HD ARG 8 -5.164 -11.488 -8.457 39 HD3 ARG 8 2HD ARG 8 -5.677 -13.169 -8.687 40 HE ARG 8 HE ARG 8 -8.013 -11.785 -8.029 41 HH11 ARG 8 2HH1 ARG 8 -5.711 -11.615 -10.665 42 HH12 ARG 8 1HH1 ARG 8 -6.899 -11.007 -11.785 43 HH21 ARG 8 2HH2 ARG 8 -9.476 -10.999 -9.507 44 HH22 ARG 8 1HH2 ARG 8 -8.974 -10.676 -11.140 45 H ALA 9 H ALA 9 -3.987 -9.709 -4.189 46 HA ALA 9 HA ALA 9 -5.451 -7.347 -3.210 47 HB1 ALA 9 1HB ALA 9 -4.795 -8.513 -1.126 48 HB2 ALA 9 2HB ALA 9 -3.107 -8.592 -1.695 49 HB3 ALA 9 3HB ALA 9 -3.855 -7.024 -1.345 50 H MET 10 H MET 10 -3.898 -5.434 -3.085 51 HA MET 10 HA MET 10 -2.068 -5.415 -5.411 52 HB2 MET 10 1HB MET 10 -2.333 -3.173 -5.472 53 HB3 MET 10 2HB MET 10 -3.824 -3.581 -4.632 54 HG2 MET 10 1HG MET 10 -3.054 -1.799 -3.401 55 HG3 MET 10 2HG MET 10 -2.476 -3.158 -2.450 56 HE1 MET 10 3HE MET 10 0.869 -1.751 -1.662 57 HE2 MET 10 1HE MET 10 -0.795 -1.893 -1.102 58 HE3 MET 10 2HE MET 10 0.075 -3.336 -1.665 59 H LYS 11 H LYS 11 0.180 -4.944 -5.203 60 HA LYS 11 HA LYS 11 1.349 -5.264 -2.464 61 HB2 LYS 11 1HB LYS 11 1.730 -7.192 -4.070 62 HB3 LYS 11 2HB LYS 11 2.721 -6.093 -5.044 63 HG2 LYS 11 1HG LYS 11 4.207 -5.693 -3.097 64 HG3 LYS 11 2HG LYS 11 3.148 -6.684 -2.078 65 HD2 LYS 11 1HD LYS 11 3.662 -8.652 -3.586 66 HD3 LYS 11 2HD LYS 11 4.859 -7.632 -4.421 67 HE2 LYS 11 1HE LYS 11 6.073 -7.261 -2.337 68 HE3 LYS 11 2HE LYS 11 4.795 -8.053 -1.403 69 HZ1 LYS 11 3HZ LYS 11 5.339 -10.132 -2.539 70 HZ2 LYS 11 1HZ LYS 11 6.599 -9.544 -1.672 71 HZ3 LYS 11 2HZ LYS 11 6.599 -9.416 -3.317 72 H CYS 12 H CYS 12 2.824 -3.854 -1.778 73 HA CYS 12 HA CYS 12 2.795 -1.234 -2.678 74 HB2 CYS 12 1HB CYS 12 3.315 -1.934 -0.426 75 HB3 CYS 12 2HB CYS 12 4.773 -2.772 -0.970 76 HA PRO 13 HA PRO 13 5.712 -1.231 -6.040 77 HB2 PRO 13 1HB PRO 13 6.036 1.508 -6.365 78 HB3 PRO 13 2HB PRO 13 4.664 0.533 -6.962 79 HG2 PRO 13 1HG PRO 13 4.799 2.264 -4.506 80 HG3 PRO 13 2HG PRO 13 3.428 2.000 -5.621 81 HD2 PRO 13 1HD PRO 13 3.628 0.775 -3.193 82 HD3 PRO 13 2HD PRO 13 2.783 0.065 -4.595 83 H TYR 14 H TYR 14 6.546 -0.412 -2.866 84 HA TYR 14 HA TYR 14 9.461 -0.179 -3.575 85 HB2 TYR 14 1HB TYR 14 7.912 1.182 -1.369 86 HB3 TYR 14 2HB TYR 14 9.661 1.201 -1.500 87 HD1 TYR 14 1HD TYR 14 6.510 2.346 -3.062 88 HD2 TYR 14 2HD TYR 14 10.804 2.675 -3.034 89 HE1 TYR 14 1HE TYR 14 6.374 4.291 -4.638 90 HE2 TYR 14 2HE TYR 14 10.663 4.669 -4.532 91 HH TYR 14 HH TYR 14 7.540 5.862 -5.820 92 H CYS 15 H CYS 15 7.102 -1.749 -1.425 93 HA CYS 15 HA CYS 15 9.310 -3.432 -0.360 94 HB2 CYS 15 1HB CYS 15 8.799 -3.109 1.888 95 HB3 CYS 15 2HB CYS 15 8.899 -1.506 1.186 96 H ASP 16 H ASP 16 7.998 -4.943 1.443 97 HA ASP 16 HA ASP 16 6.751 -6.837 -0.400 98 HB2 ASP 16 1HB ASP 16 8.657 -7.351 1.176 99 HB3 ASP 16 2HB ASP 16 7.502 -7.245 2.505 100 H PHE 17 H PHE 17 5.404 -4.480 1.588 101 HA PHE 17 HA PHE 17 3.265 -6.019 2.791 102 HB2 PHE 17 1HB PHE 17 3.886 -3.073 2.579 103 HB3 PHE 17 2HB PHE 17 2.339 -3.617 3.185 104 HD1 PHE 17 2HD PHE 17 6.031 -3.951 3.817 105 HD2 PHE 17 1HD PHE 17 2.041 -4.346 5.410 106 HE1 PHE 17 2HE PHE 17 6.970 -4.300 6.085 107 HE2 PHE 17 1HE PHE 17 2.986 -4.696 7.679 108 HZ PHE 17 HZ PHE 17 5.450 -4.676 8.020 109 H TYR 18 H TYR 18 1.071 -5.923 2.480 110 HA TYR 18 HA TYR 18 0.131 -5.327 -0.282 111 HB2 TYR 18 1HB TYR 18 -0.860 -7.428 1.674 112 HB3 TYR 18 2HB TYR 18 -1.512 -7.128 0.071 113 HD1 TYR 18 2HD TYR 18 -0.264 -7.740 -1.961 114 HD2 TYR 18 1HD TYR 18 1.270 -8.605 1.976 115 HE1 TYR 18 2HE TYR 18 1.407 -9.260 -2.954 116 HE2 TYR 18 1HE TYR 18 2.950 -10.128 0.988 117 HH TYR 18 HH TYR 18 3.716 -11.138 -0.915 118 H PHE 19 H PHE 19 -1.914 -4.513 -0.616 119 HA PHE 19 HA PHE 19 -3.614 -3.767 1.715 120 HB2 PHE 19 1HB PHE 19 -2.829 -1.862 -0.522 121 HB3 PHE 19 2HB PHE 19 -4.261 -1.667 0.435 122 HD1 PHE 19 1HD PHE 19 -0.527 -2.110 1.069 123 HD2 PHE 19 2HD PHE 19 -4.223 -0.168 2.170 124 HE1 PHE 19 1HE PHE 19 0.697 -0.685 2.672 125 HE2 PHE 19 2HE PHE 19 -2.984 1.252 3.773 126 HZ PHE 19 HZ PHE 19 -0.525 1.007 4.026 127 H MET 20 H MET 20 -5.809 -3.930 1.331 128 HA MET 20 HA MET 20 -6.663 -5.050 -1.297 129 HB2 MET 20 1HB MET 20 -7.284 -6.359 0.671 130 HB3 MET 20 2HB MET 20 -8.120 -4.953 1.358 131 HG2 MET 20 1HG MET 20 -9.659 -6.576 0.321 132 HG3 MET 20 2HG MET 20 -9.763 -4.978 -0.403 133 HE1 MET 20 3HE MET 20 -10.652 -7.407 -3.366 134 HE2 MET 20 1HE MET 20 -11.046 -7.622 -1.645 135 HE3 MET 20 2HE MET 20 -11.184 -6.014 -2.398 136 H LYS 21 H LYS 21 -7.817 -3.913 -2.646 137 HA LYS 21 HA LYS 21 -8.582 -2.152 -3.792 138 HB2 LYS 21 1HB LYS 21 -9.939 -1.325 -1.200 139 HB3 LYS 21 2HB LYS 21 -10.291 -0.666 -2.795 140 HG2 LYS 21 1HG LYS 21 -10.965 -2.911 -3.603 141 HG3 LYS 21 2HG LYS 21 -10.660 -3.581 -1.989 142 HD2 LYS 21 1HD LYS 21 -12.356 -2.047 -1.024 143 HD3 LYS 21 2HD LYS 21 -12.679 -1.393 -2.645 144 HE2 LYS 21 1HE LYS 21 -13.340 -3.664 -3.420 145 HE3 LYS 21 2HE LYS 21 -13.024 -4.309 -1.803 146 HZ1 LYS 21 3HZ LYS 21 -15.382 -3.818 -2.112 147 HZ2 LYS 21 1HZ LYS 21 -15.072 -2.251 -2.443 148 HZ3 LYS 21 2HZ LYS 21 -14.779 -2.846 -0.949 149 H ASN 22 H ASN 22 -8.718 0.321 -3.954 150 HA ASN 22 HA ASN 22 -6.115 1.479 -3.206 151 HB2 ASN 22 1HB ASN 22 -6.718 3.278 -4.699 152 HB3 ASN 22 2HB ASN 22 -7.029 1.747 -5.500 153 HD21 ASN 22 1HD2 ASN 22 -8.425 4.767 -4.577 154 HD22 ASN 22 2HD2 ASN 22 -10.076 4.350 -5.003 155 H GLY 23 H GLY 23 -5.893 3.508 -2.069 156 HA2 GLY 23 1HA GLY 23 -7.980 4.991 -0.892 157 HA3 GLY 23 2HA GLY 23 -7.485 3.787 0.298 158 H SER 24 H SER 24 -7.285 6.509 0.780 159 HA SER 24 HA SER 24 -4.845 7.749 0.139 160 HB2 SER 24 1HB SER 24 -6.524 8.151 2.642 161 HB3 SER 24 2HB SER 24 -5.358 9.297 1.950 162 HG SER 24 HG SER 24 -7.523 9.776 1.329 163 H ASP 25 H ASP 25 -5.437 5.337 2.666 164 HA ASP 25 HA ASP 25 -3.023 5.920 4.145 165 HB2 ASP 25 1HB ASP 25 -5.080 4.740 5.015 166 HB3 ASP 25 2HB ASP 25 -4.576 3.315 4.099 167 H LEU 26 H LEU 26 -3.670 3.937 1.275 168 HA LEU 26 HA LEU 26 -1.015 2.705 1.253 169 HB2 LEU 26 1HB LEU 26 -2.809 1.595 0.056 170 HB3 LEU 26 2HB LEU 26 -3.134 3.044 -0.899 171 HG LEU 26 HG LEU 26 -0.931 2.866 -1.997 172 HD11 LEU 26 1HD1 LEU 26 0.418 0.789 -1.745 173 HD12 LEU 26 2HD1 LEU 26 -0.615 0.309 -0.382 174 HD13 LEU 26 3HD1 LEU 26 0.411 1.748 -0.265 175 HD21 LEU 26 3HD2 LEU 26 -2.881 1.755 -2.995 176 HD22 LEU 26 1HD2 LEU 26 -2.488 0.264 -2.104 177 HD23 LEU 26 2HD2 LEU 26 -1.368 0.899 -3.337 178 H GLN 27 H GLN 27 -2.543 5.629 -0.180 179 HA GLN 27 HA GLN 27 -0.220 6.494 -1.622 180 HB2 GLN 27 1HB GLN 27 -2.398 8.215 -0.372 181 HB3 GLN 27 2HB GLN 27 -1.231 8.737 -1.579 182 HG2 GLN 27 1HG GLN 27 -3.356 6.592 -2.013 183 HG3 GLN 27 2HG GLN 27 -3.473 8.264 -2.528 184 HE21 GLN 27 1HE2 GLN 27 -3.811 6.335 -4.444 185 HE22 GLN 27 2HE2 GLN 27 -2.400 6.312 -5.493 186 H ARG 28 H ARG 28 -1.258 7.235 1.756 187 HA ARG 28 HA ARG 28 1.027 8.692 2.584 188 HB2 ARG 28 1HB ARG 28 -1.176 8.389 3.757 189 HB3 ARG 28 2HB ARG 28 -0.695 6.741 4.162 190 HG2 ARG 28 1HG ARG 28 1.271 7.692 5.447 191 HG3 ARG 28 2HG ARG 28 0.673 9.315 5.051 192 HD2 ARG 28 1HD ARG 28 -0.200 8.837 7.222 193 HD3 ARG 28 2HD ARG 28 -1.542 8.647 6.089 194 HE ARG 28 HE ARG 28 -1.630 6.344 6.535 195 HH11 ARG 28 2HH2 ARG 28 1.304 7.533 8.082 196 HH12 ARG 28 1HH2 ARG 28 1.542 6.015 8.906 197 HH21 ARG 28 2HH1 ARG 28 -1.290 4.582 7.520 198 HH22 ARG 28 1HH1 ARG 28 0.081 4.329 8.608 199 H HIS 29 H HIS 29 0.511 5.128 2.716 200 HA HIS 29 HA HIS 29 3.035 4.450 3.823 201 HB2 HIS 29 1HB HIS 29 1.139 2.920 3.711 202 HB3 HIS 29 2HB HIS 29 1.182 2.922 1.952 203 HD1 HIS 29 1HD HIS 29 2.958 1.347 4.932 204 HD2 HIS 29 2HD HIS 29 3.114 1.499 0.733 205 HE1 HIS 29 1HE HIS 29 4.533 -0.519 4.232 206 H ILE 30 H ILE 30 2.145 4.998 0.394 207 HA ILE 30 HA ILE 30 4.775 4.304 -0.626 208 HB ILE 30 HB ILE 30 2.341 5.685 -1.796 209 HG12 ILE 30 1HG1 ILE 30 3.660 3.003 -2.442 210 HG13 ILE 30 2HG1 ILE 30 2.338 3.179 -1.293 211 HG21 ILE 30 1HG2 ILE 30 3.537 5.501 -4.022 212 HG22 ILE 30 2HG2 ILE 30 4.231 6.689 -2.926 213 HG23 ILE 30 3HG2 ILE 30 5.012 5.103 -3.110 214 HD11 ILE 30 3HD1 ILE 30 1.366 2.505 -3.363 215 HD12 ILE 30 1HD1 ILE 30 0.946 4.221 -3.096 216 HD13 ILE 30 2HD1 ILE 30 2.215 3.767 -4.265 217 H TRP 31 H TRP 31 3.141 7.455 -0.151 218 HA TRP 31 HA TRP 31 5.291 9.158 -0.768 219 HB2 TRP 31 1HB TRP 31 3.057 9.392 1.261 220 HB3 TRP 31 2HB TRP 31 4.168 10.708 0.924 221 HD1 TRP 31 1HD TRP 31 4.257 10.205 -2.289 222 HE1 TRP 31 1HE TRP 31 2.310 10.959 -3.712 223 HE3 TRP 31 3HE TRP 31 0.696 10.618 1.383 224 HZ2 TRP 31 2HZ TRP 31 -0.475 11.708 -3.337 225 HZ3 TRP 31 3HZ TRP 31 -1.600 11.372 0.812 226 HH2 TRP 31 2HH TRP 31 -2.197 11.919 -1.538 227 H ALA 32 H ALA 32 4.848 7.215 2.147 228 HA ALA 32 HA ALA 32 6.967 8.430 3.684 229 HB1 ALA 32 1HB ALA 32 5.717 5.654 3.863 230 HB2 ALA 32 2HB ALA 32 6.716 6.430 5.108 231 HB3 ALA 32 3HB ALA 32 5.134 7.117 4.691 232 H HIS 33 H HIS 33 6.940 5.695 1.341 233 HA HIS 33 HA HIS 33 9.753 5.031 1.695 234 HB2 HIS 33 1HB HIS 33 7.843 4.504 -0.614 235 HB3 HIS 33 2HB HIS 33 9.477 3.876 -0.483 236 HD1 HIS 33 1HD HIS 33 9.813 2.392 2.023 237 HD2 HIS 33 2HD HIS 33 6.116 2.729 0.064 238 HE1 HIS 33 1HE HIS 33 8.453 0.385 2.770 239 H GLU 34 H GLU 34 7.950 7.259 -0.436 240 HA GLU 34 HA GLU 34 10.311 8.272 -1.799 241 HB2 GLU 34 1HB GLU 34 7.512 9.421 -1.477 242 HB3 GLU 34 2HB GLU 34 8.778 10.119 -2.491 243 HG2 GLU 34 1HG GLU 34 8.924 7.931 -3.730 244 HG3 GLU 34 2HG GLU 34 7.502 7.379 -2.839 245 H GLY 35 H GLY 35 9.513 8.600 1.439 246 HA2 GLY 35 1HA GLY 35 10.591 9.762 3.090 247 HA3 GLY 35 2HA GLY 35 11.598 10.543 1.870 248 H VAL 36 H VAL 36 8.129 10.897 1.599 249 HA VAL 36 HA VAL 36 8.245 13.783 1.762 250 HB VAL 36 HB VAL 36 5.847 11.918 1.689 251 HG11 VAL 36 1HG1 VAL 36 6.048 14.889 1.045 252 HG12 VAL 36 2HG1 VAL 36 4.641 13.858 0.709 253 HG13 VAL 36 3HG1 VAL 36 5.124 14.148 2.376 254 HG21 VAL 36 3HG2 VAL 36 5.798 12.398 -0.739 255 HG22 VAL 36 1HG2 VAL 36 7.296 13.342 -0.588 256 HG23 VAL 36 2HG2 VAL 36 7.299 11.593 -0.290 257 H LYS 37 H LYS 37 7.437 15.179 3.305 258 HA LYS 37 HA LYS 37 6.819 14.123 6.035 259 HB2 LYS 37 1HB LYS 37 8.830 16.304 5.350 260 HB3 LYS 37 2HB LYS 37 8.357 15.801 6.977 261 HG2 LYS 37 1HG LYS 37 9.274 13.534 6.562 262 HG3 LYS 37 2HG LYS 37 9.715 14.020 4.919 263 HD2 LYS 37 1HD LYS 37 11.210 15.806 5.890 264 HD3 LYS 37 2HD LYS 37 10.853 15.149 7.493 265 HE2 LYS 37 1HE LYS 37 12.938 14.198 6.795 266 HE3 LYS 37 2HE LYS 37 11.726 12.916 6.733 267 HZ1 LYS 37 3HZ LYS 37 13.125 12.925 4.743 268 HZ2 LYS 37 1HZ LYS 37 12.715 14.462 4.388 269 HZ3 LYS 37 2HZ LYS 37 11.591 13.274 4.301 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 8.251 -15.605 -1.048 2 H2 GLY 1 2H GLY 1 7.338 -16.224 -2.259 3 H3 GLY 1 3H GLY 1 8.421 -17.176 -1.481 4 HA2 GLY 1 1HA GLY 1 7.181 -17.025 0.574 5 HA3 GLY 1 2HA GLY 1 6.018 -15.975 -0.255 6 H SER 2 H SER 2 6.006 -18.845 0.993 7 HA SER 2 HA SER 2 5.518 -20.679 -1.145 8 HB2 SER 2 1HB SER 2 4.696 -20.891 1.772 9 HB3 SER 2 2HB SER 2 4.852 -22.223 0.613 10 HG SER 2 HG SER 2 6.722 -22.005 1.932 11 H SER 3 H SER 3 3.352 -18.409 0.354 12 HA SER 3 HA SER 3 1.016 -19.548 -1.121 13 HB2 SER 3 1HB SER 3 0.981 -18.558 1.757 14 HB3 SER 3 2HB SER 3 -0.435 -19.029 0.801 15 HG SER 3 HG SER 3 0.313 -20.728 2.166 16 H GLY 4 H GLY 4 -0.415 -18.066 -1.938 17 HA2 GLY 4 1HA GLY 4 0.451 -15.278 -2.218 18 HA3 GLY 4 2HA GLY 4 -0.939 -16.042 -2.978 19 H SER 5 H SER 5 -1.093 -13.482 -1.971 20 HA SER 5 HA SER 5 -2.507 -13.471 0.598 21 HB2 SER 5 1HB SER 5 -2.867 -11.059 0.037 22 HB3 SER 5 2HB SER 5 -1.172 -11.566 0.116 23 HG SER 5 HG SER 5 -1.494 -10.304 -1.716 24 H SER 6 H SER 6 -4.711 -12.796 0.860 25 HA SER 6 HA SER 6 -6.485 -14.255 -0.876 26 HB2 SER 6 1HB SER 6 -7.123 -12.427 1.464 27 HB3 SER 6 2HB SER 6 -8.234 -13.581 0.701 28 HG SER 6 HG SER 6 -7.232 -14.457 2.577 29 H GLY 7 H GLY 7 -8.034 -13.611 -2.286 30 HA2 GLY 7 1HA GLY 7 -9.330 -12.302 -3.668 31 HA3 GLY 7 2HA GLY 7 -9.153 -10.998 -2.501 32 H ARG 8 H ARG 8 -9.230 -9.653 -4.417 33 HA ARG 8 HA ARG 8 -6.864 -9.548 -6.198 34 HB2 ARG 8 1HB ARG 8 -9.339 -7.783 -6.100 35 HB3 ARG 8 2HB ARG 8 -8.077 -7.733 -7.326 36 HG2 ARG 8 1HG ARG 8 -10.049 -9.992 -6.806 37 HG3 ARG 8 2HG ARG 8 -9.997 -8.917 -8.197 38 HD2 ARG 8 1HD ARG 8 -7.938 -11.041 -7.476 39 HD3 ARG 8 2HD ARG 8 -9.149 -11.138 -8.759 40 HE ARG 8 HE ARG 8 -7.732 -8.835 -9.367 41 HH11 ARG 8 1HH1 ARG 8 -6.827 -12.201 -9.022 42 HH12 ARG 8 2HH1 ARG 8 -5.482 -12.046 -10.120 43 HH21 ARG 8 2HH2 ARG 8 -5.994 -8.705 -10.752 44 HH22 ARG 8 1HH2 ARG 8 -5.035 -10.119 -11.074 45 H ALA 9 H ALA 9 -5.708 -9.355 -4.004 46 HA ALA 9 HA ALA 9 -5.560 -6.769 -2.750 47 HB1 ALA 9 1HB ALA 9 -4.977 -8.864 -1.602 48 HB2 ALA 9 2HB ALA 9 -3.606 -9.097 -2.716 49 HB3 ALA 9 3HB ALA 9 -3.618 -7.723 -1.590 50 H MET 10 H MET 10 -3.624 -5.517 -2.541 51 HA MET 10 HA MET 10 -2.213 -4.938 -5.115 52 HB2 MET 10 1HB MET 10 -3.993 -3.357 -4.079 53 HB3 MET 10 2HB MET 10 -2.833 -3.045 -2.804 54 HG2 MET 10 1HG MET 10 -2.524 -2.503 -5.771 55 HG3 MET 10 2HG MET 10 -2.883 -1.322 -4.523 56 HE1 MET 10 3HE MET 10 0.644 -1.247 -2.595 57 HE2 MET 10 1HE MET 10 -1.108 -1.237 -2.315 58 HE3 MET 10 2HE MET 10 -0.208 -2.765 -2.372 59 H LYS 11 H LYS 11 0.056 -4.831 -5.006 60 HA LYS 11 HA LYS 11 1.378 -5.175 -2.333 61 HB2 LYS 11 1HB LYS 11 1.562 -7.078 -4.013 62 HB3 LYS 11 2HB LYS 11 2.522 -5.999 -5.024 63 HG2 LYS 11 1HG LYS 11 4.176 -5.732 -3.185 64 HG3 LYS 11 2HG LYS 11 3.175 -6.752 -2.132 65 HD2 LYS 11 1HD LYS 11 3.437 -8.632 -3.775 66 HD3 LYS 11 2HD LYS 11 4.524 -7.606 -4.735 67 HE2 LYS 11 1HE LYS 11 6.063 -7.412 -2.815 68 HE3 LYS 11 2HE LYS 11 4.952 -8.357 -1.808 69 HZ1 LYS 11 3HZ LYS 11 6.320 -9.384 -4.240 70 HZ2 LYS 11 1HZ LYS 11 5.295 -10.244 -3.298 71 HZ3 LYS 11 2HZ LYS 11 6.733 -9.751 -2.704 72 H CYS 12 H CYS 12 2.755 -3.670 -1.661 73 HA CYS 12 HA CYS 12 2.850 -1.100 -2.682 74 HB2 CYS 12 1HB CYS 12 3.291 -1.683 -0.400 75 HB3 CYS 12 2HB CYS 12 4.677 -2.680 -0.853 76 HA PRO 13 HA PRO 13 5.837 -1.331 -5.956 77 HB2 PRO 13 1HB PRO 13 6.256 1.356 -6.449 78 HB3 PRO 13 2HB PRO 13 4.824 0.416 -6.955 79 HG2 PRO 13 1HG PRO 13 5.102 2.286 -4.617 80 HG3 PRO 13 2HG PRO 13 3.694 2.020 -5.684 81 HD2 PRO 13 1HD PRO 13 3.933 0.941 -3.181 82 HD3 PRO 13 2HD PRO 13 2.961 0.222 -4.496 83 H TYR 14 H TYR 14 6.677 -0.427 -2.822 84 HA TYR 14 HA TYR 14 9.605 -0.286 -3.513 85 HB2 TYR 14 1HB TYR 14 8.067 1.095 -1.310 86 HB3 TYR 14 2HB TYR 14 9.817 1.051 -1.403 87 HD1 TYR 14 1HD TYR 14 6.748 2.309 -3.065 88 HD2 TYR 14 2HD TYR 14 11.044 2.541 -2.825 89 HE1 TYR 14 1HE TYR 14 6.737 4.321 -4.573 90 HE2 TYR 14 2HE TYR 14 11.020 4.591 -4.243 91 HH TYR 14 HH TYR 14 9.742 6.025 -5.490 92 H CYS 15 H CYS 15 7.185 -1.800 -1.406 93 HA CYS 15 HA CYS 15 9.293 -3.618 -0.380 94 HB2 CYS 15 1HB CYS 15 8.761 -3.347 1.889 95 HB3 CYS 15 2HB CYS 15 9.041 -1.742 1.239 96 H ASP 16 H ASP 16 7.986 -5.185 1.310 97 HA ASP 16 HA ASP 16 6.385 -6.809 -0.527 98 HB2 ASP 16 1HB ASP 16 6.756 -8.598 1.030 99 HB3 ASP 16 2HB ASP 16 8.272 -7.768 0.718 100 H PHE 17 H PHE 17 5.431 -4.395 1.551 101 HA PHE 17 HA PHE 17 3.333 -5.727 2.994 102 HB2 PHE 17 1HB PHE 17 4.622 -3.618 3.612 103 HB3 PHE 17 2HB PHE 17 3.579 -2.755 2.490 104 HD1 PHE 17 1HD PHE 17 3.783 -4.563 5.715 105 HD2 PHE 17 2HD PHE 17 1.199 -2.381 3.046 106 HE1 PHE 17 1HE PHE 17 2.110 -4.313 7.536 107 HE2 PHE 17 2HE PHE 17 -0.467 -2.120 4.863 108 HZ PHE 17 HZ PHE 17 -0.017 -3.087 7.115 109 H TYR 18 H TYR 18 1.116 -5.699 2.781 110 HA TYR 18 HA TYR 18 0.070 -5.217 0.051 111 HB2 TYR 18 1HB TYR 18 -0.820 -7.118 2.236 112 HB3 TYR 18 2HB TYR 18 -1.691 -6.868 0.726 113 HD1 TYR 18 2HD TYR 18 -0.621 -7.366 -1.469 114 HD2 TYR 18 1HD TYR 18 1.196 -8.489 2.274 115 HE1 TYR 18 2HE TYR 18 0.988 -8.772 -2.690 116 HE2 TYR 18 1HE TYR 18 2.784 -9.949 1.065 117 HH TYR 18 HH TYR 18 3.460 -10.765 -0.967 118 H PHE 19 H PHE 19 -1.868 -4.388 -0.404 119 HA PHE 19 HA PHE 19 -3.614 -3.227 1.703 120 HB2 PHE 19 1HB PHE 19 -2.557 -1.749 -0.736 121 HB3 PHE 19 2HB PHE 19 -3.964 -1.229 0.163 122 HD1 PHE 19 1HD PHE 19 -0.276 -1.585 0.310 123 HD2 PHE 19 2HD PHE 19 -3.814 -0.206 2.358 124 HE1 PHE 19 1HE PHE 19 1.133 -0.246 1.856 125 HE2 PHE 19 2HE PHE 19 -2.394 1.082 3.933 126 HZ PHE 19 HZ PHE 19 0.076 1.071 3.683 127 H MET 20 H MET 20 -5.769 -2.525 0.602 128 HA MET 20 HA MET 20 -6.545 -4.294 -1.651 129 HB2 MET 20 1HB MET 20 -6.905 -5.447 0.595 130 HB3 MET 20 2HB MET 20 -8.095 -4.193 0.964 131 HG2 MET 20 1HG MET 20 -9.386 -4.895 -1.058 132 HG3 MET 20 2HG MET 20 -8.162 -6.118 -1.400 133 HE1 MET 20 3HE MET 20 -11.244 -5.036 0.680 134 HE2 MET 20 1HE MET 20 -11.314 -6.227 1.995 135 HE3 MET 20 2HE MET 20 -10.039 -4.995 1.989 136 H LYS 21 H LYS 21 -8.328 -3.577 -2.834 137 HA LYS 21 HA LYS 21 -9.564 -2.010 -3.938 138 HB2 LYS 21 1HB LYS 21 -10.572 -1.698 -1.096 139 HB3 LYS 21 2HB LYS 21 -11.364 -0.950 -2.487 140 HG2 LYS 21 1HG LYS 21 -11.776 -3.091 -3.538 141 HG3 LYS 21 2HG LYS 21 -10.854 -3.939 -2.304 142 HD2 LYS 21 1HD LYS 21 -13.198 -4.235 -1.860 143 HD3 LYS 21 2HD LYS 21 -12.493 -3.247 -0.572 144 HE2 LYS 21 1HE LYS 21 -13.386 -1.198 -1.636 145 HE3 LYS 21 2HE LYS 21 -14.034 -2.159 -2.973 146 HZ1 LYS 21 3HZ LYS 21 -15.742 -1.679 -1.317 147 HZ2 LYS 21 1HZ LYS 21 -14.884 -2.402 -0.135 148 HZ3 LYS 21 2HZ LYS 21 -15.483 -3.288 -1.371 149 H ASN 22 H ASN 22 -6.966 -1.013 -3.301 150 HA ASN 22 HA ASN 22 -5.699 0.865 -3.274 151 HB2 ASN 22 1HB ASN 22 -6.759 0.760 -5.553 152 HB3 ASN 22 2HB ASN 22 -7.939 1.955 -5.011 153 HD21 ASN 22 1HD2 ASN 22 -7.065 3.216 -6.868 154 HD22 ASN 22 2HD2 ASN 22 -5.583 4.129 -6.616 155 H GLY 23 H GLY 23 -6.940 0.770 -0.871 156 HA2 GLY 23 1HA GLY 23 -8.336 3.093 -0.024 157 HA3 GLY 23 2HA GLY 23 -7.364 2.048 1.012 158 H SER 24 H SER 24 -7.672 4.979 1.091 159 HA SER 24 HA SER 24 -5.550 6.365 -0.161 160 HB2 SER 24 1HB SER 24 -6.133 8.202 1.409 161 HB3 SER 24 2HB SER 24 -7.531 7.498 0.577 162 HG SER 24 HG SER 24 -7.912 7.790 2.830 163 H ASP 25 H ASP 25 -5.369 4.443 2.743 164 HA ASP 25 HA ASP 25 -2.998 5.648 3.858 165 HB2 ASP 25 1HB ASP 25 -4.182 2.858 4.057 166 HB3 ASP 25 2HB ASP 25 -2.718 3.352 4.914 167 H LEU 26 H LEU 26 -3.410 3.558 1.036 168 HA LEU 26 HA LEU 26 -0.674 2.692 0.832 169 HB2 LEU 26 1HB LEU 26 -2.461 1.654 -0.471 170 HB3 LEU 26 2HB LEU 26 -2.810 3.186 -1.280 171 HG LEU 26 HG LEU 26 -0.604 3.163 -2.375 172 HD11 LEU 26 1HD1 LEU 26 0.784 1.093 -2.310 173 HD12 LEU 26 2HD1 LEU 26 -0.252 0.472 -1.012 174 HD13 LEU 26 3HD1 LEU 26 0.746 1.910 -0.750 175 HD21 LEU 26 3HD2 LEU 26 -1.007 1.237 -3.873 176 HD22 LEU 26 1HD2 LEU 26 -2.470 2.182 -3.547 177 HD23 LEU 26 2HD2 LEU 26 -2.231 0.627 -2.729 178 H GLN 27 H GLN 27 -2.356 5.676 -0.255 179 HA GLN 27 HA GLN 27 -0.174 6.778 -1.732 180 HB2 GLN 27 1HB GLN 27 -2.524 7.487 -1.910 181 HB3 GLN 27 2HB GLN 27 -2.469 8.153 -0.270 182 HG2 GLN 27 1HG GLN 27 -0.783 9.789 -0.938 183 HG3 GLN 27 2HG GLN 27 -0.703 9.092 -2.561 184 HE21 GLN 27 1HE2 GLN 27 -1.280 11.846 -2.124 185 HE22 GLN 27 2HE2 GLN 27 -2.941 12.112 -2.646 186 H ARG 28 H ARG 28 -1.104 7.083 1.715 187 HA ARG 28 HA ARG 28 1.113 8.794 2.470 188 HB2 ARG 28 1HB ARG 28 -0.495 6.902 4.246 189 HB3 ARG 28 2HB ARG 28 0.529 8.249 4.760 190 HG2 ARG 28 1HG ARG 28 -1.014 9.726 3.271 191 HG3 ARG 28 2HG ARG 28 -2.135 8.360 3.305 192 HD2 ARG 28 1HD ARG 28 -1.012 9.835 5.724 193 HD3 ARG 28 2HD ARG 28 -2.616 10.095 5.026 194 HE ARG 28 HE ARG 28 -2.726 7.430 5.584 195 HH11 ARG 28 2HH1 ARG 28 -1.832 10.134 7.637 196 HH12 ARG 28 1HH1 ARG 28 -2.404 9.331 9.074 197 HH21 ARG 28 2HH2 ARG 28 -3.458 6.503 7.399 198 HH22 ARG 28 1HH2 ARG 28 -3.296 7.312 8.951 199 H HIS 29 H HIS 29 0.689 5.266 2.547 200 HA HIS 29 HA HIS 29 3.207 4.608 3.706 201 HB2 HIS 29 1HB HIS 29 1.300 3.090 3.560 202 HB3 HIS 29 2HB HIS 29 1.405 3.064 1.800 203 HD1 HIS 29 1HD HIS 29 3.020 1.503 4.869 204 HD2 HIS 29 2HD HIS 29 3.408 1.641 0.687 205 HE1 HIS 29 1HE HIS 29 4.594 -0.393 4.261 206 H ILE 30 H ILE 30 2.341 5.099 0.246 207 HA ILE 30 HA ILE 30 5.018 4.486 -0.706 208 HB ILE 30 HB ILE 30 2.618 5.873 -1.956 209 HG12 ILE 30 1HG1 ILE 30 3.951 3.196 -2.598 210 HG13 ILE 30 2HG1 ILE 30 2.586 3.353 -1.500 211 HG21 ILE 30 1HG2 ILE 30 5.341 5.261 -3.152 212 HG22 ILE 30 2HG2 ILE 30 3.923 5.701 -4.129 213 HG23 ILE 30 3HG2 ILE 30 4.583 6.862 -2.987 214 HD11 ILE 30 3HD1 ILE 30 2.582 4.028 -4.462 215 HD12 ILE 30 1HD1 ILE 30 1.709 2.734 -3.648 216 HD13 ILE 30 2HD1 ILE 30 1.266 4.436 -3.332 217 H TRP 31 H TRP 31 3.292 7.590 -0.197 218 HA TRP 31 HA TRP 31 5.420 9.376 -0.687 219 HB2 TRP 31 1HB TRP 31 3.084 9.380 1.224 220 HB3 TRP 31 2HB TRP 31 4.243 10.681 1.273 221 HD1 TRP 31 1HD TRP 31 4.242 10.149 -2.229 222 HE1 TRP 31 1HE TRP 31 2.660 11.694 -3.451 223 HE3 TRP 31 3HE TRP 31 1.284 11.541 1.723 224 HZ2 TRP 31 2HZ TRP 31 0.426 13.434 -2.811 225 HZ3 TRP 31 3HZ TRP 31 -0.564 13.169 1.380 226 HH2 TRP 31 2HH TRP 31 -0.986 14.138 -0.868 227 H ALA 32 H ALA 32 4.978 7.289 2.134 228 HA ALA 32 HA ALA 32 7.088 8.493 3.701 229 HB1 ALA 32 1HB ALA 32 5.827 5.719 3.855 230 HB2 ALA 32 2HB ALA 32 6.815 6.485 5.116 231 HB3 ALA 32 3HB ALA 32 5.236 7.177 4.684 232 H HIS 33 H HIS 33 7.053 5.730 1.385 233 HA HIS 33 HA HIS 33 9.864 5.070 1.705 234 HB2 HIS 33 1HB HIS 33 7.912 4.588 -0.583 235 HB3 HIS 33 2HB HIS 33 9.557 3.981 -0.527 236 HD1 HIS 33 1HD HIS 33 10.019 2.414 1.887 237 HD2 HIS 33 2HD HIS 33 6.224 2.766 0.120 238 HE1 HIS 33 1HE HIS 33 8.725 0.358 2.619 239 H GLU 34 H GLU 34 8.086 7.359 -0.381 240 HA GLU 34 HA GLU 34 10.459 8.354 -1.737 241 HB2 GLU 34 1HB GLU 34 7.667 9.517 -1.411 242 HB3 GLU 34 2HB GLU 34 8.938 10.226 -2.410 243 HG2 GLU 34 1HG GLU 34 9.087 8.071 -3.688 244 HG3 GLU 34 2HG GLU 34 7.668 7.493 -2.810 245 H GLY 35 H GLY 35 9.694 8.646 1.505 246 HA2 GLY 35 1HA GLY 35 10.793 9.794 3.157 247 HA3 GLY 35 2HA GLY 35 11.744 10.641 1.936 248 H VAL 36 H VAL 36 8.274 10.905 1.671 249 HA VAL 36 HA VAL 36 8.349 13.791 2.068 250 HB VAL 36 HB VAL 36 5.966 11.959 1.648 251 HG11 VAL 36 1HG1 VAL 36 6.265 14.963 1.243 252 HG12 VAL 36 2HG1 VAL 36 4.855 13.991 0.768 253 HG13 VAL 36 3HG1 VAL 36 5.264 14.156 2.475 254 HG21 VAL 36 3HG2 VAL 36 7.526 11.730 -0.237 255 HG22 VAL 36 1HG2 VAL 36 6.097 12.633 -0.731 256 HG23 VAL 36 2HG2 VAL 36 7.618 13.497 -0.398 257 H LYS 37 H LYS 37 7.695 14.959 3.775 258 HA LYS 37 HA LYS 37 6.323 13.745 6.116 259 HB2 LYS 37 1HB LYS 37 8.896 15.378 6.230 260 HB3 LYS 37 2HB LYS 37 7.908 14.973 7.626 261 HG2 LYS 37 1HG LYS 37 9.334 12.935 5.859 262 HG3 LYS 37 2HG LYS 37 9.925 13.565 7.393 263 HD2 LYS 37 1HD LYS 37 7.969 12.600 8.580 264 HD3 LYS 37 2HD LYS 37 7.327 12.002 7.049 265 HE2 LYS 37 1HE LYS 37 8.366 10.154 8.107 266 HE3 LYS 37 2HE LYS 37 9.373 10.612 6.731 267 HZ1 LYS 37 3HZ LYS 37 9.916 11.342 9.566 268 HZ2 LYS 37 1HZ LYS 37 10.874 11.733 8.300 269 HZ3 LYS 37 2HZ LYS 37 10.692 10.174 8.736 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -6.880 -13.138 3.810 2 H2 GLY 1 2H GLY 1 -5.264 -13.411 3.842 3 H3 GLY 1 3H GLY 1 -6.162 -13.932 2.572 4 HA2 GLY 1 1HA GLY 1 -5.694 -11.111 3.291 5 HA3 GLY 1 2HA GLY 1 -4.901 -11.971 1.958 6 H SER 2 H SER 2 -6.363 -9.606 1.577 7 HA SER 2 HA SER 2 -9.072 -10.002 0.799 8 HB2 SER 2 1HB SER 2 -7.123 -7.892 -0.185 9 HB3 SER 2 2HB SER 2 -8.899 -7.820 -0.245 10 HG SER 2 HG SER 2 -8.076 -6.691 1.575 11 H SER 3 H SER 3 -10.073 -10.169 -1.202 12 HA SER 3 HA SER 3 -8.434 -11.265 -3.459 13 HB2 SER 3 1HB SER 3 -9.212 -13.086 -2.009 14 HB3 SER 3 2HB SER 3 -10.889 -12.550 -2.215 15 HG SER 3 HG SER 3 -10.299 -14.250 -3.657 16 H GLY 4 H GLY 4 -11.891 -10.475 -2.678 17 HA2 GLY 4 1HA GLY 4 -13.490 -9.326 -3.871 18 HA3 GLY 4 2HA GLY 4 -12.168 -8.348 -4.488 19 H SER 5 H SER 5 -13.118 -8.080 -6.517 20 HA SER 5 HA SER 5 -13.980 -10.307 -8.176 21 HB2 SER 5 1HB SER 5 -14.323 -8.522 -9.871 22 HB3 SER 5 2HB SER 5 -15.124 -8.199 -8.324 23 HG SER 5 HG SER 5 -14.001 -6.354 -9.138 24 H SER 6 H SER 6 -10.922 -8.629 -7.778 25 HA SER 6 HA SER 6 -9.767 -9.580 -10.305 26 HB2 SER 6 1HB SER 6 -7.718 -8.491 -9.416 27 HB3 SER 6 2HB SER 6 -9.122 -7.403 -9.438 28 HG SER 6 HG SER 6 -7.843 -7.462 -7.419 29 H GLY 7 H GLY 7 -10.210 -10.927 -7.190 30 HA2 GLY 7 1HA GLY 7 -9.657 -13.002 -6.374 31 HA3 GLY 7 2HA GLY 7 -8.689 -13.332 -7.809 32 H ARG 8 H ARG 8 -7.740 -10.364 -6.368 33 HA ARG 8 HA ARG 8 -5.641 -11.452 -4.632 34 HB2 ARG 8 1HB ARG 8 -3.763 -10.912 -6.068 35 HB3 ARG 8 2HB ARG 8 -4.820 -12.065 -6.869 36 HG2 ARG 8 1HG ARG 8 -5.859 -9.984 -8.079 37 HG3 ARG 8 2HG ARG 8 -4.437 -9.112 -7.482 38 HD2 ARG 8 1HD ARG 8 -2.999 -10.888 -8.540 39 HD3 ARG 8 2HD ARG 8 -4.451 -11.609 -9.234 40 HE ARG 8 HE ARG 8 -3.051 -9.187 -10.095 41 HH11 ARG 8 2HH1 ARG 8 -6.230 -10.735 -10.329 42 HH12 ARG 8 1HH1 ARG 8 -6.512 -10.020 -11.888 43 HH21 ARG 8 2HH2 ARG 8 -3.577 -8.264 -12.021 44 HH22 ARG 8 1HH2 ARG 8 -5.101 -8.616 -12.777 45 H ALA 9 H ALA 9 -4.423 -9.941 -3.538 46 HA ALA 9 HA ALA 9 -5.350 -7.141 -3.498 47 HB1 ALA 9 1HB ALA 9 -4.876 -8.307 -1.382 48 HB2 ALA 9 2HB ALA 9 -3.194 -8.589 -1.905 49 HB3 ALA 9 3HB ALA 9 -3.770 -6.938 -1.625 50 H MET 10 H MET 10 -3.558 -5.444 -3.357 51 HA MET 10 HA MET 10 -1.679 -5.704 -5.648 52 HB2 MET 10 1HB MET 10 -1.857 -3.474 -5.960 53 HB3 MET 10 2HB MET 10 -3.414 -3.760 -5.190 54 HG2 MET 10 1HG MET 10 -2.703 -1.873 -4.116 55 HG3 MET 10 2HG MET 10 -2.223 -3.118 -2.976 56 HE1 MET 10 3HE MET 10 -0.632 -1.902 -1.633 57 HE2 MET 10 1HE MET 10 0.291 -3.356 -2.064 58 HE3 MET 10 2HE MET 10 1.067 -1.761 -2.066 59 H LYS 11 H LYS 11 0.566 -5.113 -5.363 60 HA LYS 11 HA LYS 11 1.589 -5.367 -2.560 61 HB2 LYS 11 1HB LYS 11 2.028 -7.336 -4.097 62 HB3 LYS 11 2HB LYS 11 3.084 -6.274 -5.043 63 HG2 LYS 11 1HG LYS 11 4.473 -5.849 -3.029 64 HG3 LYS 11 2HG LYS 11 3.341 -6.795 -2.045 65 HD2 LYS 11 1HD LYS 11 3.882 -8.792 -3.511 66 HD3 LYS 11 2HD LYS 11 5.172 -7.829 -4.257 67 HE2 LYS 11 1HE LYS 11 6.318 -7.554 -2.168 68 HE3 LYS 11 2HE LYS 11 4.908 -8.087 -1.243 69 HZ1 LYS 11 3HZ LYS 11 6.532 -9.870 -2.959 70 HZ2 LYS 11 1HZ LYS 11 5.212 -10.308 -2.072 71 HZ3 LYS 11 2HZ LYS 11 6.569 -9.788 -1.313 72 H CYS 12 H CYS 12 3.039 -3.957 -1.823 73 HA CYS 12 HA CYS 12 3.047 -1.356 -2.772 74 HB2 CYS 12 1HB CYS 12 3.406 -2.039 -0.481 75 HB3 CYS 12 2HB CYS 12 4.918 -2.842 -0.909 76 HA PRO 13 HA PRO 13 6.176 -1.346 -5.926 77 HB2 PRO 13 1HB PRO 13 6.500 1.395 -6.239 78 HB3 PRO 13 2HB PRO 13 5.184 0.405 -6.930 79 HG2 PRO 13 1HG PRO 13 5.123 2.144 -4.475 80 HG3 PRO 13 2HG PRO 13 3.841 1.864 -5.687 81 HD2 PRO 13 1HD PRO 13 3.870 0.650 -3.250 82 HD3 PRO 13 2HD PRO 13 3.146 -0.078 -4.708 83 H TYR 14 H TYR 14 6.781 -0.488 -2.707 84 HA TYR 14 HA TYR 14 9.737 -0.250 -3.216 85 HB2 TYR 14 1HB TYR 14 8.041 1.155 -1.154 86 HB3 TYR 14 2HB TYR 14 9.794 1.191 -1.181 87 HD1 TYR 14 1HD TYR 14 6.721 2.296 -2.907 88 HD2 TYR 14 2HD TYR 14 11.016 2.591 -2.743 89 HE1 TYR 14 1HE TYR 14 6.662 4.212 -4.534 90 HE2 TYR 14 2HE TYR 14 10.949 4.541 -4.293 91 HH TYR 14 HH TYR 14 9.638 5.879 -5.610 92 H CYS 15 H CYS 15 7.244 -1.788 -1.206 93 HA CYS 15 HA CYS 15 9.390 -3.421 0.047 94 HB2 CYS 15 1HB CYS 15 8.675 -3.125 2.240 95 HB3 CYS 15 2HB CYS 15 8.805 -1.520 1.554 96 H ASP 16 H ASP 16 8.060 -5.025 1.678 97 HA ASP 16 HA ASP 16 6.948 -6.913 -0.247 98 HB2 ASP 16 1HB ASP 16 8.741 -7.430 1.435 99 HB3 ASP 16 2HB ASP 16 7.529 -7.276 2.708 100 H PHE 17 H PHE 17 5.430 -4.558 1.599 101 HA PHE 17 HA PHE 17 3.308 -6.181 2.720 102 HB2 PHE 17 1HB PHE 17 4.429 -3.991 3.600 103 HB3 PHE 17 2HB PHE 17 3.237 -3.175 2.601 104 HD1 PHE 17 2HD PHE 17 3.796 -5.413 5.512 105 HD2 PHE 17 1HD PHE 17 0.851 -3.209 3.265 106 HE1 PHE 17 2HE PHE 17 2.156 -5.719 7.352 107 HE2 PHE 17 1HE PHE 17 -0.783 -3.511 5.102 108 HZ PHE 17 HZ PHE 17 -0.137 -4.768 7.153 109 H TYR 18 H TYR 18 1.067 -6.008 2.393 110 HA TYR 18 HA TYR 18 0.235 -5.378 -0.399 111 HB2 TYR 18 1HB TYR 18 -0.786 -7.488 1.530 112 HB3 TYR 18 2HB TYR 18 -1.479 -7.146 -0.047 113 HD1 TYR 18 1HD TYR 18 1.526 -8.476 1.698 114 HD2 TYR 18 2HD TYR 18 -0.460 -7.914 -2.088 115 HE1 TYR 18 1HE TYR 18 3.146 -10.003 0.624 116 HE2 TYR 18 2HE TYR 18 1.151 -9.439 -3.167 117 HH TYR 18 HH TYR 18 2.877 -10.949 -2.835 118 H PHE 19 H PHE 19 -1.742 -4.516 -0.854 119 HA PHE 19 HA PHE 19 -3.614 -3.705 1.298 120 HB2 PHE 19 1HB PHE 19 -2.489 -1.750 -0.746 121 HB3 PHE 19 2HB PHE 19 -3.870 -1.447 0.243 122 HD1 PHE 19 1HD PHE 19 -0.165 -2.118 0.522 123 HD2 PHE 19 2HD PHE 19 -3.686 -0.425 2.348 124 HE1 PHE 19 1HE PHE 19 1.250 -0.966 2.190 125 HE2 PHE 19 2HE PHE 19 -2.262 0.703 4.029 126 HZ PHE 19 HZ PHE 19 0.206 0.440 3.954 127 H MET 20 H MET 20 -5.769 -3.144 0.406 128 HA MET 20 HA MET 20 -6.181 -3.457 -2.458 129 HB2 MET 20 1HB MET 20 -6.328 -5.840 -1.615 130 HB3 MET 20 2HB MET 20 -7.739 -5.351 -0.656 131 HG2 MET 20 1HG MET 20 -8.875 -4.611 -2.729 132 HG3 MET 20 2HG MET 20 -7.450 -5.048 -3.673 133 HE1 MET 20 3HE MET 20 -10.412 -5.840 -4.336 134 HE2 MET 20 1HE MET 20 -8.976 -6.209 -5.316 135 HE3 MET 20 2HE MET 20 -10.128 -7.497 -4.925 136 H LYS 21 H LYS 21 -7.642 -2.065 -3.105 137 HA LYS 21 HA LYS 21 -8.936 -0.238 -3.061 138 HB2 LYS 21 1HB LYS 21 -11.258 -0.596 -2.560 139 HB3 LYS 21 2HB LYS 21 -10.550 -1.958 -3.412 140 HG2 LYS 21 1HG LYS 21 -10.525 -3.319 -1.408 141 HG3 LYS 21 2HG LYS 21 -11.007 -1.935 -0.400 142 HD2 LYS 21 1HD LYS 21 -13.167 -1.815 -1.614 143 HD3 LYS 21 2HD LYS 21 -12.680 -3.203 -2.615 144 HE2 LYS 21 1HE LYS 21 -12.486 -4.607 -0.576 145 HE3 LYS 21 2HE LYS 21 -12.937 -3.224 0.429 146 HZ1 LYS 21 3HZ LYS 21 -15.099 -3.191 -0.696 147 HZ2 LYS 21 1HZ LYS 21 -14.849 -4.651 -0.017 148 HZ3 LYS 21 2HZ LYS 21 -14.685 -4.467 -1.631 149 H ASN 22 H ASN 22 -7.069 -0.189 -0.869 150 HA ASN 22 HA ASN 22 -8.433 1.198 1.332 151 HB2 ASN 22 1HB ASN 22 -5.490 0.570 0.826 152 HB3 ASN 22 2HB ASN 22 -6.136 1.296 2.294 153 HD21 ASN 22 1HD2 ASN 22 -8.006 -0.031 3.379 154 HD22 ASN 22 2HD2 ASN 22 -7.686 -1.756 3.434 155 H GLY 23 H GLY 23 -7.168 2.262 -1.661 156 HA2 GLY 23 1HA GLY 23 -6.944 4.363 -2.577 157 HA3 GLY 23 2HA GLY 23 -8.039 4.890 -1.303 158 H SER 24 H SER 24 -7.271 6.602 -0.254 159 HA SER 24 HA SER 24 -4.735 7.718 -0.430 160 HB2 SER 24 1HB SER 24 -6.684 8.038 1.879 161 HB3 SER 24 2HB SER 24 -5.426 9.184 1.375 162 HG SER 24 HG SER 24 -7.498 9.759 0.557 163 H ASP 25 H ASP 25 -5.735 5.181 1.838 164 HA ASP 25 HA ASP 25 -3.592 5.592 3.723 165 HB2 ASP 25 1HB ASP 25 -5.749 4.418 4.179 166 HB3 ASP 25 2HB ASP 25 -5.182 3.079 3.177 167 H LEU 26 H LEU 26 -3.824 3.773 0.679 168 HA LEU 26 HA LEU 26 -1.154 2.562 0.952 169 HB2 LEU 26 1HB LEU 26 -2.778 1.386 -0.392 170 HB3 LEU 26 2HB LEU 26 -3.107 2.822 -1.362 171 HG LEU 26 HG LEU 26 -0.839 2.752 -2.324 172 HD11 LEU 26 1HD1 LEU 26 0.595 0.750 -1.989 173 HD12 LEU 26 2HD1 LEU 26 -0.506 0.199 -0.712 174 HD13 LEU 26 3HD1 LEU 26 0.435 1.682 -0.501 175 HD21 LEU 26 3HD2 LEU 26 -2.262 0.075 -2.528 176 HD22 LEU 26 1HD2 LEU 26 -1.105 0.766 -3.689 177 HD23 LEU 26 2HD2 LEU 26 -2.675 1.548 -3.436 178 H GLN 27 H GLN 27 -2.616 5.450 -0.600 179 HA GLN 27 HA GLN 27 -0.284 6.318 -1.975 180 HB2 GLN 27 1HB GLN 27 -2.526 8.000 -0.795 181 HB3 GLN 27 2HB GLN 27 -1.301 8.569 -1.932 182 HG2 GLN 27 1HG GLN 27 -2.052 6.968 -3.632 183 HG3 GLN 27 2HG GLN 27 -3.273 6.325 -2.538 184 HE21 GLN 27 1HE2 GLN 27 -4.330 7.080 -4.839 185 HE22 GLN 27 2HE2 GLN 27 -5.119 8.646 -4.699 186 H ARG 28 H ARG 28 -1.335 7.156 1.390 187 HA ARG 28 HA ARG 28 1.096 8.627 1.925 188 HB2 ARG 28 1HB ARG 28 0.420 8.784 4.180 189 HB3 ARG 28 2HB ARG 28 -0.992 9.014 3.151 190 HG2 ARG 28 1HG ARG 28 -1.684 6.664 3.623 191 HG3 ARG 28 2HG ARG 28 -0.290 6.474 4.703 192 HD2 ARG 28 1HD ARG 28 -1.113 8.336 6.098 193 HD3 ARG 28 2HD ARG 28 -2.516 8.530 5.029 194 HE ARG 28 HE ARG 28 -2.628 5.855 5.817 195 HH11 ARG 28 2HH1 ARG 28 -2.671 8.872 7.633 196 HH12 ARG 28 1HH1 ARG 28 -3.605 8.152 8.918 197 HH21 ARG 28 2HH2 ARG 28 -3.777 5.073 7.347 198 HH22 ARG 28 1HH2 ARG 28 -4.230 5.998 8.782 199 H HIS 29 H HIS 29 0.392 5.172 2.298 200 HA HIS 29 HA HIS 29 2.824 4.505 3.684 201 HB2 HIS 29 1HB HIS 29 0.956 2.956 3.538 202 HB3 HIS 29 2HB HIS 29 1.066 2.906 1.782 203 HD1 HIS 29 1HD HIS 29 2.801 1.483 4.873 204 HD2 HIS 29 2HD HIS 29 3.021 1.435 0.675 205 HE1 HIS 29 1HE HIS 29 4.397 -0.401 4.288 206 H ILE 30 H ILE 30 2.100 4.923 0.198 207 HA ILE 30 HA ILE 30 4.788 4.229 -0.662 208 HB ILE 30 HB ILE 30 2.412 5.570 -1.996 209 HG12 ILE 30 1HG1 ILE 30 3.788 2.882 -2.485 210 HG13 ILE 30 2HG1 ILE 30 2.373 3.090 -1.455 211 HG21 ILE 30 1HG2 ILE 30 3.732 5.373 -4.148 212 HG22 ILE 30 2HG2 ILE 30 4.361 6.573 -3.032 213 HG23 ILE 30 3HG2 ILE 30 5.156 4.989 -3.153 214 HD11 ILE 30 3HD1 ILE 30 1.142 4.078 -3.400 215 HD12 ILE 30 1HD1 ILE 30 2.505 3.585 -4.441 216 HD13 ILE 30 2HD1 ILE 30 1.577 2.354 -3.580 217 H TRP 31 H TRP 31 3.112 7.389 -0.370 218 HA TRP 31 HA TRP 31 5.289 9.067 -0.914 219 HB2 TRP 31 1HB TRP 31 2.984 9.379 1.021 220 HB3 TRP 31 2HB TRP 31 4.103 10.680 0.658 221 HD1 TRP 31 1HD TRP 31 4.309 10.052 -2.513 222 HE1 TRP 31 1HE TRP 31 2.412 10.717 -4.044 223 HE3 TRP 31 3HE TRP 31 0.607 10.614 0.998 224 HZ2 TRP 31 2HZ TRP 31 -0.394 11.437 -3.812 225 HZ3 TRP 31 3HZ TRP 31 -1.674 11.302 0.302 226 HH2 TRP 31 2HH TRP 31 -2.188 11.712 -2.093 227 H ALA 32 H ALA 32 4.712 7.232 2.048 228 HA ALA 32 HA ALA 32 6.762 8.490 3.644 229 HB1 ALA 32 1HB ALA 32 4.895 7.212 4.612 230 HB2 ALA 32 2HB ALA 32 5.483 5.728 3.827 231 HB3 ALA 32 3HB ALA 32 6.450 6.509 5.096 232 H HIS 33 H HIS 33 6.837 5.672 1.394 233 HA HIS 33 HA HIS 33 9.626 5.016 1.897 234 HB2 HIS 33 1HB HIS 33 7.819 4.429 -0.478 235 HB3 HIS 33 2HB HIS 33 9.448 3.812 -0.269 236 HD1 HIS 33 1HD HIS 33 9.690 2.395 2.291 237 HD2 HIS 33 2HD HIS 33 6.087 2.643 0.155 238 HE1 HIS 33 1HE HIS 33 8.326 0.381 3.009 239 H GLU 34 H GLU 34 7.942 7.221 -0.346 240 HA GLU 34 HA GLU 34 10.378 8.182 -1.620 241 HB2 GLU 34 1HB GLU 34 7.580 9.367 -1.481 242 HB3 GLU 34 2HB GLU 34 8.907 10.009 -2.452 243 HG2 GLU 34 1HG GLU 34 9.081 7.779 -3.605 244 HG3 GLU 34 2HG GLU 34 7.605 7.279 -2.773 245 H GLY 35 H GLY 35 9.507 8.526 1.565 246 HA2 GLY 35 1HA GLY 35 10.572 9.692 3.223 247 HA3 GLY 35 2HA GLY 35 11.510 10.569 2.012 248 H VAL 36 H VAL 36 8.061 10.787 1.630 249 HA VAL 36 HA VAL 36 8.087 13.657 2.180 250 HB VAL 36 HB VAL 36 5.745 11.855 1.492 251 HG11 VAL 36 1HG1 VAL 36 6.074 14.877 1.297 252 HG12 VAL 36 2HG1 VAL 36 4.694 13.946 0.676 253 HG13 VAL 36 3HG1 VAL 36 4.994 14.002 2.410 254 HG21 VAL 36 3HG2 VAL 36 6.033 12.689 -0.828 255 HG22 VAL 36 1HG2 VAL 36 7.529 13.516 -0.338 256 HG23 VAL 36 2HG2 VAL 36 7.424 11.741 -0.305 257 H LYS 37 H LYS 37 7.337 14.711 3.912 258 HA LYS 37 HA LYS 37 5.718 13.454 6.012 259 HB2 LYS 37 1HB LYS 37 7.245 13.944 7.811 260 HB3 LYS 37 2HB LYS 37 7.916 12.767 6.685 261 HG2 LYS 37 1HG LYS 37 9.275 14.615 5.626 262 HG3 LYS 37 2HG LYS 37 8.691 15.718 6.884 263 HD2 LYS 37 1HD LYS 37 10.172 13.111 7.400 264 HD3 LYS 37 2HD LYS 37 10.953 14.701 7.308 265 HE2 LYS 37 1HE LYS 37 9.545 15.493 9.207 266 HE3 LYS 37 2HE LYS 37 8.810 13.889 9.326 267 HZ1 LYS 37 3HZ LYS 37 11.698 14.468 9.719 268 HZ2 LYS 37 1HZ LYS 37 11.019 12.985 9.824 269 HZ3 LYS 37 2HZ LYS 37 10.630 14.141 10.907 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 0.606 -25.647 -1.347 2 H2 GLY 1 2H GLY 1 1.351 -24.805 -2.534 3 H3 GLY 1 3H GLY 1 0.571 -26.202 -2.888 4 HA2 GLY 1 1HA GLY 1 -0.747 -24.329 -3.609 5 HA3 GLY 1 2HA GLY 1 -1.557 -25.242 -2.324 6 H SER 2 H SER 2 -2.506 -22.819 -2.614 7 HA SER 2 HA SER 2 -1.166 -20.675 -1.281 8 HB2 SER 2 1HB SER 2 -4.141 -21.075 -1.764 9 HB3 SER 2 2HB SER 2 -3.335 -19.546 -1.365 10 HG SER 2 HG SER 2 -3.677 -19.785 -3.628 11 H SER 3 H SER 3 -1.623 -19.638 0.693 12 HA SER 3 HA SER 3 -3.113 -21.067 2.815 13 HB2 SER 3 1HB SER 3 -1.224 -20.941 4.366 14 HB3 SER 3 2HB SER 3 -0.837 -21.954 2.968 15 HG SER 3 HG SER 3 0.871 -20.506 3.487 16 H GLY 4 H GLY 4 -3.255 -19.737 4.838 17 HA2 GLY 4 1HA GLY 4 -3.706 -17.753 5.967 18 HA3 GLY 4 2HA GLY 4 -2.869 -16.856 4.706 19 H SER 5 H SER 5 -4.440 -15.234 4.630 20 HA SER 5 HA SER 5 -7.234 -15.574 4.513 21 HB2 SER 5 1HB SER 5 -5.575 -13.273 3.419 22 HB3 SER 5 2HB SER 5 -7.305 -13.230 3.808 23 HG SER 5 HG SER 5 -6.004 -12.397 5.518 24 H SER 6 H SER 6 -8.767 -15.462 2.906 25 HA SER 6 HA SER 6 -8.049 -16.507 0.267 26 HB2 SER 6 1HB SER 6 -10.047 -17.217 1.644 27 HB3 SER 6 2HB SER 6 -10.786 -15.651 1.253 28 HG SER 6 HG SER 6 -11.369 -17.363 -0.212 29 H GLY 7 H GLY 7 -9.189 -15.543 -1.684 30 HA2 GLY 7 1HA GLY 7 -9.515 -13.816 -3.208 31 HA3 GLY 7 2HA GLY 7 -9.516 -12.662 -1.879 32 H ARG 8 H ARG 8 -8.361 -11.274 -3.324 33 HA ARG 8 HA ARG 8 -5.404 -11.705 -3.419 34 HB2 ARG 8 1HB ARG 8 -7.152 -10.700 -5.707 35 HB3 ARG 8 2HB ARG 8 -5.388 -10.634 -5.681 36 HG2 ARG 8 1HG ARG 8 -5.310 -13.124 -5.445 37 HG3 ARG 8 2HG ARG 8 -7.067 -13.182 -5.637 38 HD2 ARG 8 1HD ARG 8 -5.112 -12.033 -7.673 39 HD3 ARG 8 2HD ARG 8 -5.805 -13.664 -7.732 40 HE ARG 8 HE ARG 8 -7.995 -11.920 -7.572 41 HH11 ARG 8 1HH1 ARG 8 -5.446 -12.514 -9.900 42 HH12 ARG 8 2HH1 ARG 8 -6.424 -11.987 -11.244 43 HH21 ARG 8 2HH2 ARG 8 -9.186 -11.252 -9.327 44 HH22 ARG 8 1HH2 ARG 8 -8.487 -11.297 -10.919 45 H ALA 9 H ALA 9 -4.177 -9.756 -3.746 46 HA ALA 9 HA ALA 9 -5.419 -7.197 -2.903 47 HB1 ALA 9 1HB ALA 9 -3.648 -6.917 -1.181 48 HB2 ALA 9 2HB ALA 9 -4.722 -8.282 -0.802 49 HB3 ALA 9 3HB ALA 9 -3.094 -8.571 -1.478 50 H MET 10 H MET 10 -3.870 -5.397 -3.014 51 HA MET 10 HA MET 10 -2.056 -5.547 -5.345 52 HB2 MET 10 1HB MET 10 -2.267 -3.281 -5.491 53 HB3 MET 10 2HB MET 10 -3.788 -3.658 -4.687 54 HG2 MET 10 1HG MET 10 -3.078 -1.851 -3.482 55 HG3 MET 10 2HG MET 10 -2.511 -3.174 -2.478 56 HE1 MET 10 3HE MET 10 0.776 -1.691 -1.625 57 HE2 MET 10 1HE MET 10 -0.911 -1.846 -1.125 58 HE3 MET 10 2HE MET 10 0.008 -3.288 -1.610 59 H LYS 11 H LYS 11 0.212 -5.039 -5.145 60 HA LYS 11 HA LYS 11 1.344 -5.196 -2.375 61 HB2 LYS 11 1HB LYS 11 1.843 -7.154 -3.983 62 HB3 LYS 11 2HB LYS 11 2.874 -6.015 -4.849 63 HG2 LYS 11 1HG LYS 11 4.122 -5.589 -2.669 64 HG3 LYS 11 2HG LYS 11 3.080 -6.775 -1.889 65 HD2 LYS 11 1HD LYS 11 5.065 -7.971 -2.399 66 HD3 LYS 11 2HD LYS 11 3.901 -8.469 -3.619 67 HE2 LYS 11 1HE LYS 11 5.884 -8.102 -4.816 68 HE3 LYS 11 2HE LYS 11 4.887 -6.686 -5.154 69 HZ1 LYS 11 3HZ LYS 11 6.216 -5.506 -3.383 70 HZ2 LYS 11 1HZ LYS 11 7.154 -6.022 -4.623 71 HZ3 LYS 11 2HZ LYS 11 7.143 -6.844 -3.211 72 H CYS 12 H CYS 12 2.779 -3.738 -1.754 73 HA CYS 12 HA CYS 12 2.709 -1.144 -2.683 74 HB2 CYS 12 1HB CYS 12 3.277 -1.877 -0.454 75 HB3 CYS 12 2HB CYS 12 4.729 -2.696 -1.038 76 HA PRO 13 HA PRO 13 5.566 -1.090 -6.101 77 HB2 PRO 13 1HB PRO 13 5.867 1.649 -6.414 78 HB3 PRO 13 2HB PRO 13 4.478 0.677 -6.972 79 HG2 PRO 13 1HG PRO 13 4.692 2.386 -4.506 80 HG3 PRO 13 2HG PRO 13 3.288 2.137 -5.583 81 HD2 PRO 13 1HD PRO 13 3.563 0.880 -3.173 82 HD3 PRO 13 2HD PRO 13 2.667 0.195 -4.557 83 H TYR 14 H TYR 14 6.452 -0.256 -2.935 84 HA TYR 14 HA TYR 14 9.354 -0.028 -3.692 85 HB2 TYR 14 1HB TYR 14 7.840 1.320 -1.454 86 HB3 TYR 14 2HB TYR 14 9.590 1.334 -1.606 87 HD1 TYR 14 1HD TYR 14 6.422 2.513 -3.094 88 HD2 TYR 14 2HD TYR 14 10.717 2.784 -3.185 89 HE1 TYR 14 1HE TYR 14 6.268 4.469 -4.659 90 HE2 TYR 14 2HE TYR 14 10.564 4.778 -4.680 91 HH TYR 14 HH TYR 14 7.424 6.024 -5.875 92 H CYS 15 H CYS 15 7.027 -1.630 -1.568 93 HA CYS 15 HA CYS 15 9.212 -3.421 -0.670 94 HB2 CYS 15 1HB CYS 15 8.709 -3.330 1.609 95 HB3 CYS 15 2HB CYS 15 8.902 -1.677 1.067 96 H ASP 16 H ASP 16 7.736 -5.027 1.026 97 HA ASP 16 HA ASP 16 6.056 -6.501 -0.951 98 HB2 ASP 16 1HB ASP 16 7.793 -7.576 1.282 99 HB3 ASP 16 2HB ASP 16 6.747 -8.555 0.248 100 H PHE 17 H PHE 17 5.284 -4.428 1.228 101 HA PHE 17 HA PHE 17 3.332 -5.944 2.798 102 HB2 PHE 17 1HB PHE 17 4.537 -3.814 3.502 103 HB3 PHE 17 2HB PHE 17 3.475 -2.945 2.401 104 HD1 PHE 17 2HD PHE 17 1.053 -2.746 2.910 105 HD2 PHE 17 1HD PHE 17 3.729 -4.806 5.583 106 HE1 PHE 17 2HE PHE 17 -0.658 -2.629 4.705 107 HE2 PHE 17 1HE PHE 17 2.016 -4.697 7.380 108 HZ PHE 17 HZ PHE 17 -0.179 -3.605 6.946 109 H TYR 18 H TYR 18 1.098 -5.973 2.538 110 HA TYR 18 HA TYR 18 0.096 -5.365 -0.200 111 HB2 TYR 18 1HB TYR 18 -0.771 -7.510 1.760 112 HB3 TYR 18 2HB TYR 18 -1.500 -7.211 0.192 113 HD1 TYR 18 2HD TYR 18 -0.317 -7.742 -1.906 114 HD2 TYR 18 1HD TYR 18 1.419 -8.608 1.946 115 HE1 TYR 18 2HE TYR 18 1.392 -9.165 -3.000 116 HE2 TYR 18 1HE TYR 18 3.113 -10.046 0.859 117 HH TYR 18 HH TYR 18 3.895 -10.929 -1.115 118 H PHE 19 H PHE 19 -1.918 -4.555 -0.569 119 HA PHE 19 HA PHE 19 -3.688 -3.869 1.737 120 HB2 PHE 19 1HB PHE 19 -2.963 -1.973 -0.526 121 HB3 PHE 19 2HB PHE 19 -4.389 -1.824 0.452 122 HD1 PHE 19 1HD PHE 19 -0.640 -2.088 1.042 123 HD2 PHE 19 2HD PHE 19 -4.406 -0.284 2.129 124 HE1 PHE 19 1HE PHE 19 0.543 -0.507 2.538 125 HE2 PHE 19 2HE PHE 19 -3.217 1.257 3.653 126 HZ PHE 19 HZ PHE 19 -0.745 1.156 3.861 127 H MET 20 H MET 20 -5.785 -4.454 1.397 128 HA MET 20 HA MET 20 -6.513 -5.861 -1.044 129 HB2 MET 20 1HB MET 20 -7.237 -6.519 1.206 130 HB3 MET 20 2HB MET 20 -8.193 -5.046 1.363 131 HG2 MET 20 1HG MET 20 -8.633 -6.978 -0.935 132 HG3 MET 20 2HG MET 20 -9.295 -7.327 0.653 133 HE1 MET 20 3HE MET 20 -12.094 -4.780 1.227 134 HE2 MET 20 1HE MET 20 -11.318 -6.291 1.740 135 HE3 MET 20 2HE MET 20 -10.452 -4.746 1.906 136 H LYS 21 H LYS 21 -7.082 -2.621 0.211 137 HA LYS 21 HA LYS 21 -8.652 -1.838 -2.220 138 HB2 LYS 21 1HB LYS 21 -8.477 -0.500 0.513 139 HB3 LYS 21 2HB LYS 21 -9.405 0.092 -0.869 140 HG2 LYS 21 1HG LYS 21 -10.787 -1.988 -0.822 141 HG3 LYS 21 2HG LYS 21 -9.901 -2.520 0.623 142 HD2 LYS 21 1HD LYS 21 -10.629 -0.470 1.826 143 HD3 LYS 21 2HD LYS 21 -11.538 0.044 0.389 144 HE2 LYS 21 1HE LYS 21 -12.906 -2.032 0.523 145 HE3 LYS 21 2HE LYS 21 -12.008 -2.526 1.966 146 HZ1 LYS 21 3HZ LYS 21 -12.845 -0.530 3.090 147 HZ2 LYS 21 1HZ LYS 21 -14.096 -1.431 2.556 148 HZ3 LYS 21 2HZ LYS 21 -13.675 -0.072 1.759 149 H ASN 22 H ASN 22 -8.226 0.187 -3.180 150 HA ASN 22 HA ASN 22 -5.472 1.301 -2.796 151 HB2 ASN 22 1HB ASN 22 -5.943 0.324 -5.043 152 HB3 ASN 22 2HB ASN 22 -7.296 1.442 -5.232 153 HD21 ASN 22 1HD2 ASN 22 -5.849 1.831 -7.245 154 HD22 ASN 22 2HD2 ASN 22 -4.655 3.110 -7.059 155 H GLY 23 H GLY 23 -5.303 3.436 -2.150 156 HA2 GLY 23 1HA GLY 23 -7.172 5.507 -2.352 157 HA3 GLY 23 2HA GLY 23 -7.605 4.630 -0.885 158 H SER 24 H SER 24 -7.159 6.733 0.104 159 HA SER 24 HA SER 24 -4.684 8.069 0.024 160 HB2 SER 24 1HB SER 24 -5.510 9.231 2.070 161 HB3 SER 24 2HB SER 24 -6.669 9.191 0.729 162 HG SER 24 HG SER 24 -7.652 8.656 2.741 163 H ASP 25 H ASP 25 -5.715 5.508 2.324 164 HA ASP 25 HA ASP 25 -3.461 5.843 4.054 165 HB2 ASP 25 1HB ASP 25 -5.682 4.698 4.536 166 HB3 ASP 25 2HB ASP 25 -5.062 3.296 3.660 167 H LEU 26 H LEU 26 -3.843 3.950 1.089 168 HA LEU 26 HA LEU 26 -1.212 2.671 1.260 169 HB2 LEU 26 1HB LEU 26 -2.930 1.584 -0.037 170 HB3 LEU 26 2HB LEU 26 -3.219 3.038 -0.991 171 HG LEU 26 HG LEU 26 -1.003 2.862 -2.034 172 HD11 LEU 26 1HD1 LEU 26 0.360 0.804 -1.749 173 HD12 LEU 26 2HD1 LEU 26 -0.702 0.310 -0.411 174 HD13 LEU 26 3HD1 LEU 26 0.307 1.756 -0.266 175 HD21 LEU 26 3HD2 LEU 26 -2.550 0.245 -2.155 176 HD22 LEU 26 1HD2 LEU 26 -1.416 0.870 -3.374 177 HD23 LEU 26 2HD2 LEU 26 -2.931 1.728 -3.061 178 H GLN 27 H GLN 27 -2.572 5.642 -0.308 179 HA GLN 27 HA GLN 27 -0.163 6.382 -1.590 180 HB2 GLN 27 1HB GLN 27 -2.396 7.261 -2.135 181 HB3 GLN 27 2HB GLN 27 -2.468 8.084 -0.573 182 HG2 GLN 27 1HG GLN 27 -1.923 9.650 -2.332 183 HG3 GLN 27 2HG GLN 27 -0.595 9.509 -1.188 184 HE21 GLN 27 1HE2 GLN 27 1.402 8.440 -1.899 185 HE22 GLN 27 2HE2 GLN 27 1.706 8.233 -3.624 186 H ARG 28 H ARG 28 -1.263 7.031 1.751 187 HA ARG 28 HA ARG 28 1.008 8.611 2.606 188 HB2 ARG 28 1HB ARG 28 -0.868 6.723 4.100 189 HB3 ARG 28 2HB ARG 28 0.342 7.713 4.910 190 HG2 ARG 28 1HG ARG 28 -1.759 8.933 3.101 191 HG3 ARG 28 2HG ARG 28 -2.081 8.569 4.800 192 HD2 ARG 28 1HD ARG 28 -0.274 10.046 5.515 193 HD3 ARG 28 2HD ARG 28 0.202 10.340 3.835 194 HE ARG 28 HE ARG 28 -2.556 11.036 4.191 195 HH11 ARG 28 2HH1 ARG 28 0.600 12.298 5.044 196 HH12 ARG 28 1HH1 ARG 28 0.031 13.945 5.080 197 HH21 ARG 28 2HH2 ARG 28 -3.216 13.157 4.265 198 HH22 ARG 28 1HH2 ARG 28 -2.075 14.408 4.656 199 H HIS 29 H HIS 29 0.415 5.105 2.788 200 HA HIS 29 HA HIS 29 2.941 4.350 3.861 201 HB2 HIS 29 1HB HIS 29 1.049 2.819 3.725 202 HB3 HIS 29 2HB HIS 29 1.106 2.830 1.966 203 HD1 HIS 29 1HD HIS 29 2.853 1.236 4.948 204 HD2 HIS 29 2HD HIS 29 3.131 1.481 0.762 205 HE1 HIS 29 1HE HIS 29 4.513 -0.558 4.261 206 H ILE 30 H ILE 30 2.059 4.935 0.439 207 HA ILE 30 HA ILE 30 4.693 4.302 -0.591 208 HB ILE 30 HB ILE 30 2.280 5.757 -1.714 209 HG12 ILE 30 1HG1 ILE 30 3.558 3.082 -2.454 210 HG13 ILE 30 2HG1 ILE 30 2.241 3.233 -1.297 211 HG21 ILE 30 1HG2 ILE 30 4.193 6.767 -2.809 212 HG22 ILE 30 2HG2 ILE 30 4.948 5.178 -3.040 213 HG23 ILE 30 3HG2 ILE 30 3.484 5.628 -3.945 214 HD11 ILE 30 3HD1 ILE 30 0.859 4.358 -3.052 215 HD12 ILE 30 1HD1 ILE 30 2.118 3.936 -4.242 216 HD13 ILE 30 2HD1 ILE 30 1.258 2.650 -3.388 217 H TRP 31 H TRP 31 3.088 7.453 0.022 218 HA TRP 31 HA TRP 31 5.260 9.157 -0.536 219 HB2 TRP 31 1HB TRP 31 2.994 9.313 1.457 220 HB3 TRP 31 2HB TRP 31 4.191 10.582 1.357 221 HD1 TRP 31 1HD TRP 31 4.338 10.367 -1.971 222 HE1 TRP 31 1HE TRP 31 2.570 11.619 -3.265 223 HE3 TRP 31 3HE TRP 31 0.839 10.863 1.739 224 HZ2 TRP 31 2HZ TRP 31 -0.063 12.755 -2.780 225 HZ3 TRP 31 3HZ TRP 31 -1.302 12.047 1.289 226 HH2 TRP 31 2HH TRP 31 -1.761 12.995 -0.961 227 H ALA 32 H ALA 32 4.843 7.083 2.284 228 HA ALA 32 HA ALA 32 6.967 8.249 3.853 229 HB1 ALA 32 1HB ALA 32 6.732 6.204 5.207 230 HB2 ALA 32 2HB ALA 32 5.137 6.870 4.802 231 HB3 ALA 32 3HB ALA 32 5.757 5.449 3.930 232 H HIS 33 H HIS 33 6.933 5.641 1.385 233 HA HIS 33 HA HIS 33 9.766 4.980 1.684 234 HB2 HIS 33 1HB HIS 33 7.796 4.473 -0.581 235 HB3 HIS 33 2HB HIS 33 9.439 3.860 -0.509 236 HD1 HIS 33 1HD HIS 33 9.886 2.281 1.886 237 HD2 HIS 33 2HD HIS 33 6.072 2.716 0.182 238 HE1 HIS 33 1HE HIS 33 8.557 0.261 2.649 239 H GLU 34 H GLU 34 7.878 7.211 -0.379 240 HA GLU 34 HA GLU 34 10.178 8.264 -1.797 241 HB2 GLU 34 1HB GLU 34 7.397 9.406 -1.337 242 HB3 GLU 34 2HB GLU 34 8.620 10.125 -2.390 243 HG2 GLU 34 1HG GLU 34 8.715 7.960 -3.674 244 HG3 GLU 34 2HG GLU 34 7.327 7.393 -2.740 245 H GLY 35 H GLY 35 9.438 8.575 1.477 246 HA2 GLY 35 1HA GLY 35 10.555 9.716 3.120 247 HA3 GLY 35 2HA GLY 35 11.583 10.456 1.892 248 H VAL 36 H VAL 36 8.081 10.864 1.765 249 HA VAL 36 HA VAL 36 8.243 13.737 1.745 250 HB VAL 36 HB VAL 36 5.840 11.913 2.099 251 HG11 VAL 36 1HG1 VAL 36 5.233 14.187 2.773 252 HG12 VAL 36 2HG1 VAL 36 5.962 14.850 1.289 253 HG13 VAL 36 3HG1 VAL 36 4.519 13.816 1.206 254 HG21 VAL 36 3HG2 VAL 36 5.489 12.303 -0.329 255 HG22 VAL 36 1HG2 VAL 36 7.004 13.228 -0.402 256 HG23 VAL 36 2HG2 VAL 36 7.026 11.492 -0.036 257 H LYS 37 H LYS 37 7.831 15.251 3.279 258 HA LYS 37 HA LYS 37 8.053 14.401 6.107 259 HB2 LYS 37 1HB LYS 37 8.321 17.186 4.925 260 HB3 LYS 37 2HB LYS 37 8.758 16.672 6.549 261 HG2 LYS 37 1HG LYS 37 10.125 15.895 3.945 262 HG3 LYS 37 2HG LYS 37 10.753 16.941 5.218 263 HD2 LYS 37 1HD LYS 37 10.744 14.989 6.793 264 HD3 LYS 37 2HD LYS 37 10.243 13.936 5.463 265 HE2 LYS 37 1HE LYS 37 12.827 15.555 5.594 266 HE3 LYS 37 2HE LYS 37 12.668 13.823 5.903 267 HZ1 LYS 37 3HZ LYS 37 12.202 15.177 3.305 268 HZ2 LYS 37 1HZ LYS 37 11.832 13.608 3.574 269 HZ3 LYS 37 2HZ LYS 37 13.390 14.116 3.656 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 9.363 -18.790 1.986 2 H2 GLY 1 2H GLY 1 9.636 -17.725 0.771 3 H3 GLY 1 3H GLY 1 8.764 -19.085 0.493 4 HA2 GLY 1 1HA GLY 1 7.953 -16.856 2.246 5 HA3 GLY 1 2HA GLY 1 7.301 -17.177 0.629 6 H SER 2 H SER 2 5.366 -17.024 2.268 7 HA SER 2 HA SER 2 4.391 -19.773 2.759 8 HB2 SER 2 1HB SER 2 3.617 -19.194 5.032 9 HB3 SER 2 2HB SER 2 5.380 -19.185 4.896 10 HG SER 2 HG SER 2 4.590 -17.356 6.039 11 H SER 3 H SER 3 2.069 -19.862 3.191 12 HA SER 3 HA SER 3 0.558 -18.280 1.353 13 HB2 SER 3 1HB SER 3 -0.427 -20.127 3.560 14 HB3 SER 3 2HB SER 3 -1.371 -19.546 2.174 15 HG SER 3 HG SER 3 -0.491 -21.645 1.817 16 H GLY 4 H GLY 4 -1.182 -16.848 1.678 17 HA2 GLY 4 1HA GLY 4 -2.115 -15.839 4.173 18 HA3 GLY 4 2HA GLY 4 -0.820 -14.791 3.593 19 H SER 5 H SER 5 -2.671 -13.252 3.684 20 HA SER 5 HA SER 5 -4.876 -13.416 1.880 21 HB2 SER 5 1HB SER 5 -3.788 -10.976 3.323 22 HB3 SER 5 2HB SER 5 -5.425 -11.187 2.671 23 HG SER 5 HG SER 5 -5.333 -11.614 4.925 24 H SER 6 H SER 6 -1.858 -13.066 0.799 25 HA SER 6 HA SER 6 -1.763 -10.732 -0.785 26 HB2 SER 6 1HB SER 6 -0.433 -13.395 -1.385 27 HB3 SER 6 2HB SER 6 0.143 -11.780 -1.826 28 HG SER 6 HG SER 6 0.545 -11.364 0.347 29 H GLY 7 H GLY 7 -3.512 -13.698 -1.424 30 HA2 GLY 7 1HA GLY 7 -3.457 -13.828 -4.245 31 HA3 GLY 7 2HA GLY 7 -4.756 -14.442 -3.225 32 H ARG 8 H ARG 8 -4.126 -12.456 -5.722 33 HA ARG 8 HA ARG 8 -5.046 -10.696 -6.819 34 HB2 ARG 8 1HB ARG 8 -7.620 -11.463 -5.403 35 HB3 ARG 8 2HB ARG 8 -7.485 -10.504 -6.865 36 HG2 ARG 8 1HG ARG 8 -6.773 -13.449 -6.569 37 HG3 ARG 8 2HG ARG 8 -8.178 -12.780 -7.385 38 HD2 ARG 8 1HD ARG 8 -5.279 -12.428 -8.255 39 HD3 ARG 8 2HD ARG 8 -6.464 -13.523 -8.976 40 HE ARG 8 HE ARG 8 -7.634 -10.980 -9.095 41 HH11 ARG 8 2HH1 ARG 8 -4.805 -12.487 -10.510 42 HH12 ARG 8 1HH1 ARG 8 -4.827 -11.435 -11.900 43 HH21 ARG 8 2HH2 ARG 8 -7.600 -9.667 -10.887 44 HH22 ARG 8 1HH2 ARG 8 -6.375 -9.887 -12.103 45 H ALA 9 H ALA 9 -4.001 -10.155 -4.006 46 HA ALA 9 HA ALA 9 -5.367 -7.600 -3.363 47 HB1 ALA 9 1HB ALA 9 -3.930 -7.619 -1.390 48 HB2 ALA 9 2HB ALA 9 -4.727 -9.192 -1.558 49 HB3 ALA 9 3HB ALA 9 -3.019 -8.999 -2.021 50 H MET 10 H MET 10 -4.100 -5.718 -2.913 51 HA MET 10 HA MET 10 -2.427 -4.914 -5.181 52 HB2 MET 10 1HB MET 10 -4.275 -3.603 -3.872 53 HB3 MET 10 2HB MET 10 -3.049 -3.361 -2.639 54 HG2 MET 10 1HG MET 10 -2.954 -2.508 -5.537 55 HG3 MET 10 2HG MET 10 -3.303 -1.475 -4.156 56 HE1 MET 10 3HE MET 10 -1.418 -1.473 -2.045 57 HE2 MET 10 1HE MET 10 -0.481 -2.966 -2.287 58 HE3 MET 10 2HE MET 10 0.318 -1.404 -2.399 59 H LYS 11 H LYS 11 -0.170 -4.783 -5.109 60 HA LYS 11 HA LYS 11 1.209 -5.252 -2.490 61 HB2 LYS 11 1HB LYS 11 1.500 -7.017 -4.316 62 HB3 LYS 11 2HB LYS 11 2.417 -5.807 -5.220 63 HG2 LYS 11 1HG LYS 11 3.989 -5.557 -3.309 64 HG3 LYS 11 2HG LYS 11 3.016 -6.689 -2.357 65 HD2 LYS 11 1HD LYS 11 3.503 -8.458 -4.098 66 HD3 LYS 11 2HD LYS 11 4.627 -7.314 -4.873 67 HE2 LYS 11 1HE LYS 11 5.918 -7.116 -2.798 68 HE3 LYS 11 2HE LYS 11 4.728 -8.092 -1.926 69 HZ1 LYS 11 3HZ LYS 11 5.332 -9.970 -3.362 70 HZ2 LYS 11 1HZ LYS 11 6.582 -9.434 -2.450 71 HZ3 LYS 11 2HZ LYS 11 6.525 -9.084 -4.061 72 H CYS 12 H CYS 12 2.563 -3.757 -1.738 73 HA CYS 12 HA CYS 12 2.539 -1.118 -2.639 74 HB2 CYS 12 1HB CYS 12 3.018 -1.777 -0.374 75 HB3 CYS 12 2HB CYS 12 4.442 -2.695 -0.880 76 HA PRO 13 HA PRO 13 5.472 -1.250 -5.972 77 HB2 PRO 13 1HB PRO 13 5.830 1.466 -6.417 78 HB3 PRO 13 2HB PRO 13 4.436 0.486 -6.952 79 HG2 PRO 13 1HG PRO 13 4.627 2.336 -4.594 80 HG3 PRO 13 2HG PRO 13 3.233 2.016 -5.662 81 HD2 PRO 13 1HD PRO 13 3.526 0.920 -3.158 82 HD3 PRO 13 2HD PRO 13 2.581 0.180 -4.480 83 H TYR 14 H TYR 14 6.355 -0.371 -2.845 84 HA TYR 14 HA TYR 14 9.263 -0.145 -3.587 85 HB2 TYR 14 1HB TYR 14 7.729 1.234 -1.386 86 HB3 TYR 14 2HB TYR 14 9.479 1.249 -1.517 87 HD1 TYR 14 1HD TYR 14 6.334 2.327 -3.154 88 HD2 TYR 14 2HD TYR 14 10.610 2.784 -2.974 89 HE1 TYR 14 1HE TYR 14 6.201 4.273 -4.739 90 HE2 TYR 14 2HE TYR 14 10.465 4.784 -4.456 91 HH TYR 14 HH TYR 14 9.097 6.132 -5.691 92 H CYS 15 H CYS 15 6.927 -1.731 -1.447 93 HA CYS 15 HA CYS 15 9.137 -3.428 -0.430 94 HB2 CYS 15 1HB CYS 15 8.570 -3.249 1.836 95 HB3 CYS 15 2HB CYS 15 8.751 -1.617 1.223 96 H ASP 16 H ASP 16 8.056 -5.194 1.102 97 HA ASP 16 HA ASP 16 6.667 -6.840 -0.843 98 HB2 ASP 16 1HB ASP 16 8.643 -7.508 0.591 99 HB3 ASP 16 2HB ASP 16 7.537 -7.576 1.963 100 H PHE 17 H PHE 17 5.378 -4.704 1.356 101 HA PHE 17 HA PHE 17 3.391 -6.396 2.603 102 HB2 PHE 17 1HB PHE 17 4.515 -4.451 3.671 103 HB3 PHE 17 2HB PHE 17 3.642 -3.377 2.583 104 HD1 PHE 17 1HD PHE 17 2.918 -6.224 4.977 105 HD2 PHE 17 2HD PHE 17 1.723 -2.361 3.476 106 HE1 PHE 17 1HE PHE 17 1.026 -6.178 6.586 107 HE2 PHE 17 2HE PHE 17 -0.167 -2.320 5.080 108 HZ PHE 17 HZ PHE 17 -0.519 -4.230 6.640 109 H TYR 18 H TYR 18 1.156 -6.286 2.520 110 HA TYR 18 HA TYR 18 0.032 -5.604 -0.139 111 HB2 TYR 18 1HB TYR 18 -0.721 -7.752 1.866 112 HB3 TYR 18 2HB TYR 18 -1.635 -7.399 0.403 113 HD1 TYR 18 2HD TYR 18 -0.625 -7.669 -1.843 114 HD2 TYR 18 1HD TYR 18 1.397 -8.971 1.736 115 HE1 TYR 18 2HE TYR 18 1.007 -8.874 -3.223 116 HE2 TYR 18 1HE TYR 18 3.014 -10.237 0.360 117 HH TYR 18 HH TYR 18 3.592 -10.929 -1.737 118 H PHE 19 H PHE 19 -2.012 -4.878 -0.436 119 HA PHE 19 HA PHE 19 -3.622 -3.914 1.879 120 HB2 PHE 19 1HB PHE 19 -2.962 -2.302 -0.615 121 HB3 PHE 19 2HB PHE 19 -4.189 -1.876 0.552 122 HD1 PHE 19 1HD PHE 19 -0.477 -2.435 0.222 123 HD2 PHE 19 2HD PHE 19 -3.667 -0.544 2.429 124 HE1 PHE 19 1HE PHE 19 1.186 -1.106 1.488 125 HE2 PHE 19 2HE PHE 19 -1.994 0.776 3.699 126 HZ PHE 19 HZ PHE 19 0.429 0.489 3.244 127 H MET 20 H MET 20 -5.878 -4.003 1.533 128 HA MET 20 HA MET 20 -6.742 -5.927 -0.460 129 HB2 MET 20 1HB MET 20 -8.941 -5.693 0.511 130 HB3 MET 20 2HB MET 20 -7.716 -5.896 1.762 131 HG2 MET 20 1HG MET 20 -7.769 -3.465 2.228 132 HG3 MET 20 2HG MET 20 -8.994 -3.238 0.980 133 HE1 MET 20 3HE MET 20 -11.118 -5.522 1.309 134 HE2 MET 20 1HE MET 20 -12.210 -4.759 2.482 135 HE3 MET 20 2HE MET 20 -11.487 -3.784 1.184 136 H LYS 21 H LYS 21 -6.834 -2.427 -0.315 137 HA LYS 21 HA LYS 21 -7.804 -2.179 -3.099 138 HB2 LYS 21 1HB LYS 21 -9.202 -0.896 -0.696 139 HB3 LYS 21 2HB LYS 21 -9.454 -0.408 -2.372 140 HG2 LYS 21 1HG LYS 21 -10.265 -2.712 -2.909 141 HG3 LYS 21 2HG LYS 21 -10.141 -3.125 -1.185 142 HD2 LYS 21 1HD LYS 21 -11.737 -1.325 -0.620 143 HD3 LYS 21 2HD LYS 21 -11.863 -0.892 -2.341 144 HE2 LYS 21 1HE LYS 21 -12.697 -3.177 -2.851 145 HE3 LYS 21 2HE LYS 21 -12.584 -3.606 -1.138 146 HZ1 LYS 21 3HZ LYS 21 -14.341 -1.479 -2.252 147 HZ2 LYS 21 1HZ LYS 21 -14.237 -1.869 -0.668 148 HZ3 LYS 21 2HZ LYS 21 -14.843 -2.942 -1.737 149 H ASN 22 H ASN 22 -7.540 0.008 -3.921 150 HA ASN 22 HA ASN 22 -5.210 1.456 -2.874 151 HB2 ASN 22 1HB ASN 22 -5.675 1.118 -5.324 152 HB3 ASN 22 2HB ASN 22 -7.114 2.124 -5.161 153 HD21 ASN 22 1HD2 ASN 22 -5.882 3.272 -6.965 154 HD22 ASN 22 2HD2 ASN 22 -4.734 4.499 -6.449 155 H GLY 23 H GLY 23 -5.274 3.657 -2.115 156 HA2 GLY 23 1HA GLY 23 -7.475 5.285 -1.637 157 HA3 GLY 23 2HA GLY 23 -7.408 4.211 -0.237 158 H SER 24 H SER 24 -7.176 6.649 0.522 159 HA SER 24 HA SER 24 -4.759 8.064 0.207 160 HB2 SER 24 1HB SER 24 -5.497 9.317 2.227 161 HB3 SER 24 2HB SER 24 -6.742 9.153 0.979 162 HG SER 24 HG SER 24 -7.557 8.708 3.088 163 H ASP 25 H ASP 25 -5.498 5.476 2.522 164 HA ASP 25 HA ASP 25 -3.166 5.876 4.169 165 HB2 ASP 25 1HB ASP 25 -5.254 4.650 4.814 166 HB3 ASP 25 2HB ASP 25 -4.783 3.340 3.729 167 H LEU 26 H LEU 26 -3.727 3.910 1.229 168 HA LEU 26 HA LEU 26 -1.053 2.759 1.170 169 HB2 LEU 26 1HB LEU 26 -2.830 1.647 -0.036 170 HB3 LEU 26 2HB LEU 26 -3.199 3.109 -0.954 171 HG LEU 26 HG LEU 26 -1.004 2.995 -2.091 172 HD11 LEU 26 1HD1 LEU 26 0.382 0.958 -1.917 173 HD12 LEU 26 2HD1 LEU 26 -0.658 0.369 -0.605 174 HD13 LEU 26 3HD1 LEU 26 0.341 1.816 -0.376 175 HD21 LEU 26 3HD2 LEU 26 -1.449 0.984 -3.442 176 HD22 LEU 26 1HD2 LEU 26 -2.904 1.941 -3.147 177 HD23 LEU 26 2HD2 LEU 26 -2.642 0.443 -2.231 178 H GLN 27 H GLN 27 -2.604 5.651 -0.326 179 HA GLN 27 HA GLN 27 -0.312 6.566 -1.746 180 HB2 GLN 27 1HB GLN 27 -2.590 8.127 -0.470 181 HB3 GLN 27 2HB GLN 27 -1.358 8.840 -1.511 182 HG2 GLN 27 1HG GLN 27 -2.001 7.414 -3.375 183 HG3 GLN 27 2HG GLN 27 -3.190 6.567 -2.390 184 HE21 GLN 27 1HE2 GLN 27 -2.410 9.794 -3.791 185 HE22 GLN 27 2HE2 GLN 27 -4.080 10.340 -3.777 186 H ARG 28 H ARG 28 -1.284 7.271 1.663 187 HA ARG 28 HA ARG 28 1.060 8.807 2.210 188 HB2 ARG 28 1HB ARG 28 -1.040 8.867 3.590 189 HB3 ARG 28 2HB ARG 28 -0.650 7.258 4.201 190 HG2 ARG 28 1HG ARG 28 0.032 8.883 5.853 191 HG3 ARG 28 2HG ARG 28 1.490 8.180 5.168 192 HD2 ARG 28 1HD ARG 28 1.464 10.270 3.553 193 HD3 ARG 28 2HD ARG 28 0.278 10.920 4.664 194 HE ARG 28 HE ARG 28 1.946 11.254 6.262 195 HH11 ARG 28 2HH1 ARG 28 3.444 9.219 3.803 196 HH12 ARG 28 1HH1 ARG 28 5.003 9.969 4.062 197 HH21 ARG 28 2HH2 ARG 28 4.006 12.026 6.577 198 HH22 ARG 28 1HH2 ARG 28 5.301 11.520 5.525 199 H HIS 29 H HIS 29 0.505 5.318 2.629 200 HA HIS 29 HA HIS 29 3.035 4.672 3.777 201 HB2 HIS 29 1HB HIS 29 1.138 3.140 3.740 202 HB3 HIS 29 2HB HIS 29 1.157 3.085 1.982 203 HD1 HIS 29 1HD HIS 29 3.033 1.655 4.987 204 HD2 HIS 29 2HD HIS 29 2.983 1.542 0.785 205 HE1 HIS 29 1HE HIS 29 4.528 -0.290 4.332 206 H ILE 30 H ILE 30 2.097 5.066 0.329 207 HA ILE 30 HA ILE 30 4.733 4.400 -0.685 208 HB ILE 30 HB ILE 30 2.303 5.806 -1.854 209 HG12 ILE 30 1HG1 ILE 30 3.592 3.133 -2.561 210 HG13 ILE 30 2HG1 ILE 30 2.304 3.286 -1.372 211 HG21 ILE 30 1HG2 ILE 30 3.518 5.607 -4.085 212 HG22 ILE 30 2HG2 ILE 30 4.178 6.813 -2.985 213 HG23 ILE 30 3HG2 ILE 30 4.985 5.240 -3.149 214 HD11 ILE 30 3HD1 ILE 30 2.077 3.965 -4.323 215 HD12 ILE 30 1HD1 ILE 30 1.286 2.652 -3.445 216 HD13 ILE 30 2HD1 ILE 30 0.845 4.346 -3.096 217 H TRP 31 H TRP 31 3.092 7.539 -0.161 218 HA TRP 31 HA TRP 31 5.283 9.231 -0.702 219 HB2 TRP 31 1HB TRP 31 2.974 9.472 1.227 220 HB3 TRP 31 2HB TRP 31 4.112 10.775 0.962 221 HD1 TRP 31 1HD TRP 31 4.332 10.280 -2.267 222 HE1 TRP 31 1HE TRP 31 2.453 11.059 -3.767 223 HE3 TRP 31 3HE TRP 31 0.633 10.785 1.263 224 HZ2 TRP 31 2HZ TRP 31 -0.333 11.829 -3.511 225 HZ3 TRP 31 3HZ TRP 31 -1.628 11.550 0.592 226 HH2 TRP 31 2HH TRP 31 -2.126 12.074 -1.784 227 H ALA 32 H ALA 32 4.799 7.174 2.117 228 HA ALA 32 HA ALA 32 6.892 8.390 3.728 229 HB1 ALA 32 1HB ALA 32 5.007 7.089 4.678 230 HB2 ALA 32 2HB ALA 32 5.621 5.626 3.876 231 HB3 ALA 32 3HB ALA 32 6.581 6.411 5.143 232 H HIS 33 H HIS 33 6.841 5.658 1.379 233 HA HIS 33 HA HIS 33 9.651 4.988 1.720 234 HB2 HIS 33 1HB HIS 33 7.716 4.504 -0.581 235 HB3 HIS 33 2HB HIS 33 9.353 3.875 -0.491 236 HD1 HIS 33 1HD HIS 33 9.754 2.322 1.939 237 HD2 HIS 33 2HD HIS 33 5.981 2.729 0.141 238 HE1 HIS 33 1HE HIS 33 8.414 0.304 2.687 239 H GLU 34 H GLU 34 7.874 7.245 -0.395 240 HA GLU 34 HA GLU 34 10.220 8.304 -1.732 241 HB2 GLU 34 1HB GLU 34 7.380 9.285 -1.343 242 HB3 GLU 34 2HB GLU 34 8.563 10.222 -2.240 243 HG2 GLU 34 1HG GLU 34 7.903 7.345 -2.977 244 HG3 GLU 34 2HG GLU 34 6.997 8.725 -3.584 245 H GLY 35 H GLY 35 9.430 8.585 1.529 246 HA2 GLY 35 1HA GLY 35 10.482 9.759 3.190 247 HA3 GLY 35 2HA GLY 35 11.522 10.510 1.979 248 H VAL 36 H VAL 36 7.999 10.837 1.867 249 HA VAL 36 HA VAL 36 8.176 13.752 2.013 250 HB VAL 36 HB VAL 36 5.741 11.964 1.787 251 HG11 VAL 36 1HG1 VAL 36 6.085 14.933 1.206 252 HG12 VAL 36 2HG1 VAL 36 4.642 13.967 0.823 253 HG13 VAL 36 3HG1 VAL 36 5.100 14.214 2.506 254 HG21 VAL 36 3HG2 VAL 36 7.335 13.371 -0.401 255 HG22 VAL 36 1HG2 VAL 36 7.252 11.617 -0.144 256 HG23 VAL 36 2HG2 VAL 36 5.805 12.495 -0.631 257 H LYS 37 H LYS 37 7.631 15.056 3.620 258 HA LYS 37 HA LYS 37 6.140 14.266 5.998 259 HB2 LYS 37 1HB LYS 37 7.820 14.886 7.599 260 HB3 LYS 37 2HB LYS 37 8.385 13.533 6.646 261 HG2 LYS 37 1HG LYS 37 9.283 16.427 6.215 262 HG3 LYS 37 2HG LYS 37 10.101 15.260 7.246 263 HD2 LYS 37 1HD LYS 37 10.378 13.750 5.250 264 HD3 LYS 37 2HD LYS 37 9.775 15.076 4.230 265 HE2 LYS 37 1HE LYS 37 11.607 16.530 5.025 266 HE3 LYS 37 2HE LYS 37 12.225 15.204 6.023 267 HZ1 LYS 37 3HZ LYS 37 11.992 15.153 3.059 268 HZ2 LYS 37 1HZ LYS 37 12.513 13.904 3.963 269 HZ3 LYS 37 2HZ LYS 37 13.388 15.286 3.898 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 4.260 -20.879 -2.873 2 H2 GLY 1 2H GLY 1 2.894 -20.039 -2.526 3 H3 GLY 1 3H GLY 1 4.326 -19.573 -1.885 4 HA2 GLY 1 1HA GLY 1 5.192 -18.994 -4.050 5 HA3 GLY 1 2HA GLY 1 3.656 -19.524 -4.758 6 H SER 2 H SER 2 4.944 -16.859 -4.858 7 HA SER 2 HA SER 2 3.780 -15.003 -3.050 8 HB2 SER 2 1HB SER 2 4.455 -13.314 -4.754 9 HB3 SER 2 2HB SER 2 5.741 -14.454 -4.319 10 HG SER 2 HG SER 2 5.587 -14.153 -6.596 11 H SER 3 H SER 3 2.393 -16.432 -5.954 12 HA SER 3 HA SER 3 0.234 -14.650 -6.440 13 HB2 SER 3 1HB SER 3 -0.855 -16.671 -7.431 14 HB3 SER 3 2HB SER 3 0.798 -16.385 -8.004 15 HG SER 3 HG SER 3 0.423 -18.595 -7.444 16 H GLY 4 H GLY 4 0.663 -17.012 -3.840 17 HA2 GLY 4 1HA GLY 4 -2.077 -17.065 -2.912 18 HA3 GLY 4 2HA GLY 4 -0.630 -17.532 -2.011 19 H SER 5 H SER 5 0.379 -14.621 -2.679 20 HA SER 5 HA SER 5 -1.060 -13.213 -0.452 21 HB2 SER 5 1HB SER 5 1.754 -12.781 -1.513 22 HB3 SER 5 2HB SER 5 0.964 -11.877 -0.207 23 HG SER 5 HG SER 5 1.505 -14.682 -0.221 24 H SER 6 H SER 6 0.321 -12.709 -3.742 25 HA SER 6 HA SER 6 -0.795 -10.052 -4.023 26 HB2 SER 6 1HB SER 6 0.281 -11.996 -6.097 27 HB3 SER 6 2HB SER 6 -0.094 -10.287 -6.382 28 HG SER 6 HG SER 6 2.136 -10.659 -5.911 29 H GLY 7 H GLY 7 -2.202 -13.229 -4.540 30 HA2 GLY 7 1HA GLY 7 -4.035 -12.720 -6.608 31 HA3 GLY 7 2HA GLY 7 -4.261 -13.898 -5.316 32 H ARG 8 H ARG 8 -5.728 -11.437 -6.782 33 HA ARG 8 HA ARG 8 -7.282 -9.829 -6.376 34 HB2 ARG 8 1HB ARG 8 -8.109 -11.650 -4.087 35 HB3 ARG 8 2HB ARG 8 -9.091 -10.374 -4.814 36 HG2 ARG 8 1HG ARG 8 -9.014 -11.552 -7.003 37 HG3 ARG 8 2HG ARG 8 -8.099 -12.874 -6.248 38 HD2 ARG 8 1HD ARG 8 -9.962 -13.269 -4.671 39 HD3 ARG 8 2HD ARG 8 -10.882 -11.951 -5.427 40 HE ARG 8 HE ARG 8 -10.133 -13.787 -7.464 41 HH11 ARG 8 2HH1 ARG 8 -12.306 -13.746 -4.717 42 HH12 ARG 8 1HH1 ARG 8 -13.385 -14.911 -5.435 43 HH21 ARG 8 2HH2 ARG 8 -11.549 -15.269 -8.323 44 HH22 ARG 8 1HH2 ARG 8 -12.961 -15.747 -7.425 45 H ALA 9 H ALA 9 -4.698 -9.343 -5.166 46 HA ALA 9 HA ALA 9 -5.458 -7.206 -3.237 47 HB1 ALA 9 1HB ALA 9 -3.621 -7.891 -1.750 48 HB2 ALA 9 2HB ALA 9 -4.771 -9.223 -1.946 49 HB3 ALA 9 3HB ALA 9 -3.228 -9.247 -2.828 50 H MET 10 H MET 10 -3.540 -5.804 -2.752 51 HA MET 10 HA MET 10 -2.100 -5.066 -5.273 52 HB2 MET 10 1HB MET 10 -3.896 -3.592 -4.107 53 HB3 MET 10 2HB MET 10 -2.699 -3.319 -2.859 54 HG2 MET 10 1HG MET 10 -2.523 -2.616 -5.807 55 HG3 MET 10 2HG MET 10 -2.826 -1.510 -4.481 56 HE1 MET 10 3HE MET 10 -0.959 -1.469 -2.383 57 HE2 MET 10 1HE MET 10 -0.089 -3.017 -2.511 58 HE3 MET 10 2HE MET 10 0.779 -1.500 -2.715 59 H LYS 11 H LYS 11 0.167 -4.887 -5.196 60 HA LYS 11 HA LYS 11 1.548 -5.350 -2.572 61 HB2 LYS 11 1HB LYS 11 1.753 -7.184 -4.309 62 HB3 LYS 11 2HB LYS 11 2.647 -6.047 -5.319 63 HG2 LYS 11 1HG LYS 11 4.356 -5.773 -3.546 64 HG3 LYS 11 2HG LYS 11 3.419 -6.819 -2.464 65 HD2 LYS 11 1HD LYS 11 3.678 -8.688 -4.124 66 HD3 LYS 11 2HD LYS 11 4.719 -7.634 -5.103 67 HE2 LYS 11 1HE LYS 11 6.314 -7.422 -3.252 68 HE3 LYS 11 2HE LYS 11 5.230 -8.323 -2.177 69 HZ1 LYS 11 3HZ LYS 11 6.974 -9.761 -3.071 70 HZ2 LYS 11 1HZ LYS 11 6.508 -9.456 -4.607 71 HZ3 LYS 11 2HZ LYS 11 5.508 -10.262 -3.591 72 H CYS 12 H CYS 12 2.937 -3.868 -1.865 73 HA CYS 12 HA CYS 12 2.928 -1.250 -2.775 74 HB2 CYS 12 1HB CYS 12 3.393 -1.938 -0.520 75 HB3 CYS 12 2HB CYS 12 4.839 -2.816 -1.024 76 HA PRO 13 HA PRO 13 5.930 -1.237 -6.046 77 HB2 PRO 13 1HB PRO 13 6.253 1.478 -6.431 78 HB3 PRO 13 2HB PRO 13 4.861 0.504 -6.982 79 HG2 PRO 13 1HG PRO 13 5.045 2.322 -4.603 80 HG3 PRO 13 2HG PRO 13 3.649 1.988 -5.666 81 HD2 PRO 13 1HD PRO 13 4.038 0.872 -3.162 82 HD3 PRO 13 2HD PRO 13 3.003 0.183 -4.447 83 H TYR 14 H TYR 14 6.724 -0.397 -2.874 84 HA TYR 14 HA TYR 14 9.646 -0.104 -3.542 85 HB2 TYR 14 1HB TYR 14 8.021 1.156 -1.330 86 HB3 TYR 14 2HB TYR 14 9.775 1.180 -1.385 87 HD1 TYR 14 1HD TYR 14 6.700 2.356 -3.081 88 HD2 TYR 14 2HD TYR 14 10.977 2.736 -2.761 89 HE1 TYR 14 1HE TYR 14 6.636 4.382 -4.561 90 HE2 TYR 14 2HE TYR 14 10.902 4.802 -4.162 91 HH TYR 14 HH TYR 14 7.849 6.029 -5.579 92 H CYS 15 H CYS 15 7.293 -1.759 -1.462 93 HA CYS 15 HA CYS 15 9.490 -3.497 -0.472 94 HB2 CYS 15 1HB CYS 15 8.888 -3.350 1.791 95 HB3 CYS 15 2HB CYS 15 9.094 -1.710 1.204 96 H ASP 16 H ASP 16 8.312 -5.239 1.082 97 HA ASP 16 HA ASP 16 6.807 -6.867 -0.828 98 HB2 ASP 16 1HB ASP 16 7.279 -8.696 0.655 99 HB3 ASP 16 2HB ASP 16 8.744 -7.768 0.386 100 H PHE 17 H PHE 17 5.707 -4.598 1.328 101 HA PHE 17 HA PHE 17 3.660 -6.097 2.692 102 HB2 PHE 17 1HB PHE 17 4.801 -4.029 3.514 103 HB3 PHE 17 2HB PHE 17 3.908 -3.103 2.311 104 HD1 PHE 17 1HD PHE 17 3.423 -5.451 5.215 105 HD2 PHE 17 2HD PHE 17 1.789 -2.218 2.878 106 HE1 PHE 17 1HE PHE 17 1.555 -5.218 6.840 107 HE2 PHE 17 2HE PHE 17 -0.072 -1.979 4.508 108 HZ PHE 17 HZ PHE 17 -0.190 -3.479 6.490 109 H TYR 18 H TYR 18 1.426 -6.023 2.516 110 HA TYR 18 HA TYR 18 0.371 -5.534 -0.218 111 HB2 TYR 18 1HB TYR 18 -0.459 -7.536 1.905 112 HB3 TYR 18 2HB TYR 18 -1.311 -7.282 0.385 113 HD1 TYR 18 2HD TYR 18 -0.171 -7.672 -1.799 114 HD2 TYR 18 1HD TYR 18 1.614 -8.819 1.953 115 HE1 TYR 18 2HE TYR 18 1.530 -8.951 -3.018 116 HE2 TYR 18 1HE TYR 18 3.303 -10.155 0.739 117 HH TYR 18 HH TYR 18 4.069 -10.870 -1.285 118 H PHE 19 H PHE 19 -1.670 -4.799 -0.599 119 HA PHE 19 HA PHE 19 -3.208 -3.570 1.646 120 HB2 PHE 19 1HB PHE 19 -2.233 -2.277 -0.875 121 HB3 PHE 19 2HB PHE 19 -3.827 -1.851 -0.308 122 HD1 PHE 19 1HD PHE 19 -0.224 -1.925 0.740 123 HD2 PHE 19 2HD PHE 19 -4.161 -0.308 1.439 124 HE1 PHE 19 1HE PHE 19 0.729 -0.260 2.322 125 HE2 PHE 19 2HE PHE 19 -3.202 1.325 3.039 126 HZ PHE 19 HZ PHE 19 -0.768 1.344 3.494 127 H MET 20 H MET 20 -5.346 -3.467 1.463 128 HA MET 20 HA MET 20 -6.819 -4.754 -0.769 129 HB2 MET 20 1HB MET 20 -8.150 -6.064 0.890 130 HB3 MET 20 2HB MET 20 -6.469 -6.569 0.775 131 HG2 MET 20 1HG MET 20 -5.873 -5.567 2.833 132 HG3 MET 20 2HG MET 20 -7.342 -4.597 2.911 133 HE1 MET 20 3HE MET 20 -10.054 -6.826 4.274 134 HE2 MET 20 1HE MET 20 -9.422 -5.175 4.076 135 HE3 MET 20 2HE MET 20 -9.813 -6.156 2.645 136 H LYS 21 H LYS 21 -6.458 -1.991 0.015 137 HA LYS 21 HA LYS 21 -9.191 -1.089 0.852 138 HB2 LYS 21 1HB LYS 21 -6.473 -0.234 1.938 139 HB3 LYS 21 2HB LYS 21 -7.936 0.711 2.182 140 HG2 LYS 21 1HG LYS 21 -9.025 -1.080 3.385 141 HG3 LYS 21 2HG LYS 21 -7.673 -2.184 3.105 142 HD2 LYS 21 1HD LYS 21 -7.334 0.468 4.563 143 HD3 LYS 21 2HD LYS 21 -7.784 -1.028 5.397 144 HE2 LYS 21 1HE LYS 21 -5.762 -2.142 4.758 145 HE3 LYS 21 2HE LYS 21 -5.316 -0.854 3.629 146 HZ1 LYS 21 3HZ LYS 21 -4.106 -0.681 5.743 147 HZ2 LYS 21 1HZ LYS 21 -5.505 -0.455 6.562 148 HZ3 LYS 21 2HZ LYS 21 -5.004 0.652 5.452 149 H ASN 22 H ASN 22 -9.377 1.340 0.543 150 HA ASN 22 HA ASN 22 -9.097 2.007 -2.206 151 HB2 ASN 22 1HB ASN 22 -10.826 2.860 -0.571 152 HB3 ASN 22 2HB ASN 22 -9.575 3.869 0.160 153 HD21 ASN 22 1HD2 ASN 22 -11.193 5.598 -0.416 154 HD22 ASN 22 2HD2 ASN 22 -11.110 6.252 -2.047 155 H GLY 23 H GLY 23 -7.838 3.588 -3.258 156 HA2 GLY 23 1HA GLY 23 -5.074 3.262 -2.886 157 HA3 GLY 23 2HA GLY 23 -5.833 4.439 -3.958 158 H SER 24 H SER 24 -7.102 5.869 -1.571 159 HA SER 24 HA SER 24 -5.102 7.809 -1.073 160 HB2 SER 24 1HB SER 24 -7.561 7.199 0.610 161 HB3 SER 24 2HB SER 24 -6.654 8.723 0.566 162 HG SER 24 HG SER 24 -8.513 8.801 -0.776 163 H ASP 25 H ASP 25 -5.901 4.878 0.798 164 HA ASP 25 HA ASP 25 -4.217 5.679 3.073 165 HB2 ASP 25 1HB ASP 25 -6.356 4.318 3.211 166 HB3 ASP 25 2HB ASP 25 -5.472 2.976 2.484 167 H LEU 26 H LEU 26 -3.932 3.603 0.222 168 HA LEU 26 HA LEU 26 -1.301 2.530 0.764 169 HB2 LEU 26 1HB LEU 26 -2.754 1.466 -0.832 170 HB3 LEU 26 2HB LEU 26 -2.967 2.962 -1.738 171 HG LEU 26 HG LEU 26 -0.618 2.906 -2.473 172 HD11 LEU 26 1HD1 LEU 26 0.443 1.682 -0.615 173 HD12 LEU 26 2HD1 LEU 26 0.729 0.847 -2.141 174 HD13 LEU 26 3HD1 LEU 26 -0.503 0.242 -1.009 175 HD21 LEU 26 3HD2 LEU 26 -2.347 1.901 -3.852 176 HD22 LEU 26 1HD2 LEU 26 -2.190 0.360 -2.986 177 HD23 LEU 26 2HD2 LEU 26 -0.846 0.973 -3.983 178 H GLN 27 H GLN 27 -2.442 5.503 -0.935 179 HA GLN 27 HA GLN 27 0.045 6.317 -1.912 180 HB2 GLN 27 1HB GLN 27 -2.131 7.199 -2.619 181 HB3 GLN 27 2HB GLN 27 -2.371 7.949 -1.038 182 HG2 GLN 27 1HG GLN 27 -1.715 9.603 -2.674 183 HG3 GLN 27 2HG GLN 27 -0.475 9.445 -1.439 184 HE21 GLN 27 1HE2 GLN 27 1.589 8.432 -2.040 185 HE22 GLN 27 2HE2 GLN 27 2.027 8.301 -3.743 186 H ARG 28 H ARG 28 -1.283 6.773 1.365 187 HA ARG 28 HA ARG 28 0.841 8.489 2.332 188 HB2 ARG 28 1HB ARG 28 -1.418 8.251 3.363 189 HB3 ARG 28 2HB ARG 28 -1.003 6.605 3.865 190 HG2 ARG 28 1HG ARG 28 0.835 7.484 5.274 191 HG3 ARG 28 2HG ARG 28 0.491 9.132 4.712 192 HD2 ARG 28 1HD ARG 28 -1.794 8.972 5.705 193 HD3 ARG 28 2HD ARG 28 -1.441 7.329 6.234 194 HE ARG 28 HE ARG 28 -0.109 8.118 7.966 195 HH11 ARG 28 2HH1 ARG 28 -0.940 10.885 5.972 196 HH12 ARG 28 1HH1 ARG 28 -0.345 12.019 7.152 197 HH21 ARG 28 2HH2 ARG 28 0.626 9.622 9.415 198 HH22 ARG 28 1HH2 ARG 28 0.516 11.319 9.044 199 H HIS 29 H HIS 29 0.433 4.933 2.340 200 HA HIS 29 HA HIS 29 2.903 4.343 3.707 201 HB2 HIS 29 1HB HIS 29 1.096 2.735 3.534 202 HB3 HIS 29 2HB HIS 29 1.195 2.723 1.774 203 HD1 HIS 29 1HD HIS 29 2.914 1.232 4.827 204 HD2 HIS 29 2HD HIS 29 3.247 1.378 0.640 205 HE1 HIS 29 1HE HIS 29 4.578 -0.581 4.205 206 H ILE 30 H ILE 30 2.149 4.889 0.255 207 HA ILE 30 HA ILE 30 4.844 4.320 -0.662 208 HB ILE 30 HB ILE 30 2.471 5.766 -1.887 209 HG12 ILE 30 1HG1 ILE 30 3.803 3.097 -2.561 210 HG13 ILE 30 2HG1 ILE 30 2.390 3.252 -1.517 211 HG21 ILE 30 1HG2 ILE 30 5.201 5.200 -3.088 212 HG22 ILE 30 2HG2 ILE 30 3.786 5.696 -4.047 213 HG23 ILE 30 3HG2 ILE 30 4.454 6.794 -2.848 214 HD11 ILE 30 3HD1 ILE 30 1.173 4.386 -3.387 215 HD12 ILE 30 1HD1 ILE 30 2.527 3.950 -4.465 216 HD13 ILE 30 2HD1 ILE 30 1.590 2.672 -3.688 217 H TRP 31 H TRP 31 3.139 7.417 -0.075 218 HA TRP 31 HA TRP 31 5.303 9.188 -0.445 219 HB2 TRP 31 1HB TRP 31 2.914 9.212 1.399 220 HB3 TRP 31 2HB TRP 31 4.082 10.512 1.441 221 HD1 TRP 31 1HD TRP 31 4.434 10.415 -1.896 222 HE1 TRP 31 1HE TRP 31 2.728 11.696 -3.241 223 HE3 TRP 31 3HE TRP 31 0.725 10.754 1.636 224 HZ2 TRP 31 2HZ TRP 31 0.057 12.778 -2.870 225 HZ3 TRP 31 3HZ TRP 31 -1.400 11.923 1.096 226 HH2 TRP 31 2HH TRP 31 -1.745 12.936 -1.145 227 H ALA 32 H ALA 32 4.763 7.007 2.277 228 HA ALA 32 HA ALA 32 6.773 8.166 4.002 229 HB1 ALA 32 1HB ALA 32 4.909 6.738 4.805 230 HB2 ALA 32 2HB ALA 32 5.616 5.347 3.952 231 HB3 ALA 32 3HB ALA 32 6.492 6.102 5.296 232 H HIS 33 H HIS 33 6.908 5.594 1.493 233 HA HIS 33 HA HIS 33 9.728 4.982 1.907 234 HB2 HIS 33 1HB HIS 33 7.880 4.516 -0.467 235 HB3 HIS 33 2HB HIS 33 9.532 3.936 -0.343 236 HD1 HIS 33 1HD HIS 33 9.911 2.307 2.032 237 HD2 HIS 33 2HD HIS 33 6.169 2.683 0.161 238 HE1 HIS 33 1HE HIS 33 8.603 0.238 2.689 239 H GLU 34 H GLU 34 7.930 7.260 -0.183 240 HA GLU 34 HA GLU 34 10.296 8.380 -1.435 241 HB2 GLU 34 1HB GLU 34 7.474 9.470 -1.120 242 HB3 GLU 34 2HB GLU 34 8.746 10.229 -2.079 243 HG2 GLU 34 1HG GLU 34 8.955 8.102 -3.407 244 HG3 GLU 34 2HG GLU 34 7.526 7.487 -2.571 245 H GLY 35 H GLY 35 9.390 8.591 1.799 246 HA2 GLY 35 1HA GLY 35 10.411 9.710 3.518 247 HA3 GLY 35 2HA GLY 35 11.465 10.516 2.355 248 H VAL 36 H VAL 36 7.962 10.835 2.094 249 HA VAL 36 HA VAL 36 8.045 13.720 2.243 250 HB VAL 36 HB VAL 36 5.683 11.815 2.298 251 HG11 VAL 36 1HG1 VAL 36 4.944 14.016 3.058 252 HG12 VAL 36 2HG1 VAL 36 5.772 14.799 1.687 253 HG13 VAL 36 3HG1 VAL 36 4.374 13.735 1.417 254 HG21 VAL 36 3HG2 VAL 36 7.032 11.560 0.231 255 HG22 VAL 36 1HG2 VAL 36 5.493 12.343 -0.121 256 HG23 VAL 36 2HG2 VAL 36 6.978 13.315 -0.027 257 H LYS 37 H LYS 37 7.383 15.117 3.819 258 HA LYS 37 HA LYS 37 6.788 14.080 6.565 259 HB2 LYS 37 1HB LYS 37 8.607 16.397 5.792 260 HB3 LYS 37 2HB LYS 37 8.100 15.995 7.436 261 HG2 LYS 37 1HG LYS 37 9.197 13.767 7.236 262 HG3 LYS 37 2HG LYS 37 9.749 14.194 5.604 263 HD2 LYS 37 1HD LYS 37 11.005 16.127 6.533 264 HD3 LYS 37 2HD LYS 37 10.485 15.668 8.170 265 HE2 LYS 37 1HE LYS 37 11.596 13.461 7.897 266 HE3 LYS 37 2HE LYS 37 12.106 13.915 6.265 267 HZ1 LYS 37 3HZ LYS 37 13.415 15.722 7.251 268 HZ2 LYS 37 1HZ LYS 37 13.878 14.290 7.881 269 HZ3 LYS 37 2HZ LYS 37 12.946 15.301 8.759 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -3.917 -10.789 5.837 2 H2 GLY 1 2H GLY 1 -3.688 -9.929 7.212 3 H3 GLY 1 3H GLY 1 -3.973 -9.150 5.798 4 HA2 GLY 1 1HA GLY 1 -5.953 -9.123 7.169 5 HA3 GLY 1 2HA GLY 1 -6.201 -10.033 5.667 6 H SER 2 H SER 2 -7.389 -10.198 8.492 7 HA SER 2 HA SER 2 -6.469 -12.626 9.697 8 HB2 SER 2 1HB SER 2 -9.105 -11.172 10.108 9 HB3 SER 2 2HB SER 2 -8.349 -12.337 11.212 10 HG SER 2 HG SER 2 -7.917 -10.164 11.824 11 H SER 3 H SER 3 -8.683 -12.205 7.066 12 HA SER 3 HA SER 3 -9.200 -15.097 6.959 13 HB2 SER 3 1HB SER 3 -11.072 -14.133 8.338 14 HB3 SER 3 2HB SER 3 -11.525 -13.130 6.947 15 HG SER 3 HG SER 3 -12.695 -15.137 7.083 16 H GLY 4 H GLY 4 -10.034 -15.776 4.898 17 HA2 GLY 4 1HA GLY 4 -9.005 -14.263 2.604 18 HA3 GLY 4 2HA GLY 4 -9.718 -15.876 2.590 19 H SER 5 H SER 5 -10.651 -12.458 3.145 20 HA SER 5 HA SER 5 -13.442 -12.842 2.491 21 HB2 SER 5 1HB SER 5 -13.634 -10.455 2.788 22 HB3 SER 5 2HB SER 5 -12.609 -11.127 4.066 23 HG SER 5 HG SER 5 -11.684 -9.238 3.183 24 H SER 6 H SER 6 -14.572 -11.464 0.855 25 HA SER 6 HA SER 6 -13.647 -12.086 -1.797 26 HB2 SER 6 1HB SER 6 -16.026 -10.402 -0.944 27 HB3 SER 6 2HB SER 6 -15.775 -11.168 -2.524 28 HG SER 6 HG SER 6 -17.142 -12.418 -1.165 29 H GLY 7 H GLY 7 -12.526 -9.589 0.009 30 HA2 GLY 7 1HA GLY 7 -12.702 -7.308 -1.756 31 HA3 GLY 7 2HA GLY 7 -11.610 -7.511 -0.390 32 H ARG 8 H ARG 8 -10.512 -6.181 -2.315 33 HA ARG 8 HA ARG 8 -8.695 -8.052 -3.767 34 HB2 ARG 8 1HB ARG 8 -10.641 -6.653 -5.102 35 HB3 ARG 8 2HB ARG 8 -9.369 -5.445 -5.080 36 HG2 ARG 8 1HG ARG 8 -9.085 -6.617 -7.114 37 HG3 ARG 8 2HG ARG 8 -7.807 -7.217 -6.063 38 HD2 ARG 8 1HD ARG 8 -8.715 -9.100 -7.205 39 HD3 ARG 8 2HD ARG 8 -9.284 -9.233 -5.550 40 HE ARG 8 HE ARG 8 -10.872 -8.409 -7.955 41 HH11 ARG 8 2HH1 ARG 8 -11.010 -9.451 -4.588 42 HH12 ARG 8 1HH1 ARG 8 -12.736 -9.586 -4.619 43 HH21 ARG 8 2HH2 ARG 8 -13.070 -8.688 -7.925 44 HH22 ARG 8 1HH2 ARG 8 -13.852 -9.252 -6.477 45 H ALA 9 H ALA 9 -6.590 -7.411 -4.069 46 HA ALA 9 HA ALA 9 -5.606 -5.013 -2.622 47 HB1 ALA 9 1HB ALA 9 -5.712 -6.888 -0.980 48 HB2 ALA 9 2HB ALA 9 -4.703 -7.875 -2.081 49 HB3 ALA 9 3HB ALA 9 -4.037 -6.413 -1.345 50 H MET 10 H MET 10 -3.199 -4.967 -2.655 51 HA MET 10 HA MET 10 -1.895 -5.959 -5.118 52 HB2 MET 10 1HB MET 10 -1.354 -3.786 -5.894 53 HB3 MET 10 2HB MET 10 -3.074 -3.772 -5.485 54 HG2 MET 10 1HG MET 10 -2.413 -1.767 -4.633 55 HG3 MET 10 2HG MET 10 -2.293 -2.766 -3.197 56 HE1 MET 10 3HE MET 10 0.371 -3.313 -2.018 57 HE2 MET 10 1HE MET 10 1.003 -1.677 -1.921 58 HE3 MET 10 2HE MET 10 -0.731 -1.969 -1.687 59 H LYS 11 H LYS 11 0.502 -5.282 -5.057 60 HA LYS 11 HA LYS 11 1.616 -5.456 -2.279 61 HB2 LYS 11 1HB LYS 11 1.857 -7.475 -3.804 62 HB3 LYS 11 2HB LYS 11 2.904 -6.488 -4.828 63 HG2 LYS 11 1HG LYS 11 4.444 -6.155 -2.867 64 HG3 LYS 11 2HG LYS 11 3.356 -7.158 -1.881 65 HD2 LYS 11 1HD LYS 11 3.680 -9.019 -3.582 66 HD3 LYS 11 2HD LYS 11 4.916 -8.020 -4.363 67 HE2 LYS 11 1HE LYS 11 6.261 -8.014 -2.323 68 HE3 LYS 11 2HE LYS 11 4.978 -8.852 -1.430 69 HZ1 LYS 11 3HZ LYS 11 5.292 -10.766 -2.895 70 HZ2 LYS 11 1HZ LYS 11 6.702 -10.405 -2.158 71 HZ3 LYS 11 2HZ LYS 11 6.476 -10.004 -3.724 72 H CYS 12 H CYS 12 3.107 -3.991 -1.661 73 HA CYS 12 HA CYS 12 3.047 -1.450 -2.729 74 HB2 CYS 12 1HB CYS 12 3.487 -1.976 -0.432 75 HB3 CYS 12 2HB CYS 12 4.960 -2.852 -0.846 76 HA PRO 13 HA PRO 13 6.087 -1.475 -5.948 77 HB2 PRO 13 1HB PRO 13 6.374 1.240 -6.402 78 HB3 PRO 13 2HB PRO 13 5.023 0.219 -6.966 79 HG2 PRO 13 1HG PRO 13 5.094 2.106 -4.637 80 HG3 PRO 13 2HG PRO 13 3.734 1.708 -5.724 81 HD2 PRO 13 1HD PRO 13 4.060 0.688 -3.186 82 HD3 PRO 13 2HD PRO 13 3.106 -0.088 -4.484 83 H TYR 14 H TYR 14 6.821 -0.534 -2.796 84 HA TYR 14 HA TYR 14 9.750 -0.244 -3.426 85 HB2 TYR 14 1HB TYR 14 8.102 1.078 -1.273 86 HB3 TYR 14 2HB TYR 14 9.854 1.145 -1.349 87 HD1 TYR 14 1HD TYR 14 6.730 2.142 -3.093 88 HD2 TYR 14 2HD TYR 14 10.976 2.756 -2.716 89 HE1 TYR 14 1HE TYR 14 6.588 4.130 -4.623 90 HE2 TYR 14 2HE TYR 14 10.811 4.798 -4.140 91 HH TYR 14 HH TYR 14 9.441 6.133 -5.386 92 H CYS 15 H CYS 15 7.371 -1.900 -1.387 93 HA CYS 15 HA CYS 15 9.550 -3.577 -0.297 94 HB2 CYS 15 1HB CYS 15 8.896 -3.395 1.963 95 HB3 CYS 15 2HB CYS 15 9.166 -1.775 1.349 96 H ASP 16 H ASP 16 8.322 -5.293 1.284 97 HA ASP 16 HA ASP 16 6.945 -6.948 -0.681 98 HB2 ASP 16 1HB ASP 16 7.339 -8.760 0.841 99 HB3 ASP 16 2HB ASP 16 8.803 -7.806 0.674 100 H PHE 17 H PHE 17 5.694 -4.742 1.522 101 HA PHE 17 HA PHE 17 3.617 -6.416 2.644 102 HB2 PHE 17 1HB PHE 17 4.874 -4.389 3.676 103 HB3 PHE 17 2HB PHE 17 3.676 -3.410 2.844 104 HD1 PHE 17 2HD PHE 17 4.202 -6.107 5.372 105 HD2 PHE 17 1HD PHE 17 1.397 -3.272 3.735 106 HE1 PHE 17 2HE PHE 17 2.651 -6.544 7.263 107 HE2 PHE 17 1HE PHE 17 -0.147 -3.705 5.622 108 HZ PHE 17 HZ PHE 17 0.473 -5.342 7.393 109 H TYR 18 H TYR 18 1.377 -6.222 2.484 110 HA TYR 18 HA TYR 18 0.361 -5.326 -0.156 111 HB2 TYR 18 1HB TYR 18 -0.627 -7.380 1.844 112 HB3 TYR 18 2HB TYR 18 -1.568 -6.857 0.460 113 HD1 TYR 18 1HD TYR 18 1.739 -8.402 1.365 114 HD2 TYR 18 2HD TYR 18 -1.294 -7.839 -1.652 115 HE1 TYR 18 1HE TYR 18 2.893 -10.021 -0.092 116 HE2 TYR 18 2HE TYR 18 -0.158 -9.478 -3.109 117 HH TYR 18 HH TYR 18 1.600 -10.967 -3.315 118 H PHE 19 H PHE 19 -1.529 -4.201 -0.431 119 HA PHE 19 HA PHE 19 -3.068 -3.289 1.930 120 HB2 PHE 19 1HB PHE 19 -2.070 -1.369 -0.206 121 HB3 PHE 19 2HB PHE 19 -3.323 -1.011 0.950 122 HD1 PHE 19 1HD PHE 19 0.324 -1.839 0.685 123 HD2 PHE 19 2HD PHE 19 -2.850 -0.278 3.157 124 HE1 PHE 19 1HE PHE 19 1.986 -1.123 2.377 125 HE2 PHE 19 2HE PHE 19 -1.179 0.462 4.831 126 HZ PHE 19 HZ PHE 19 1.238 0.019 4.458 127 H MET 20 H MET 20 -5.229 -2.878 1.526 128 HA MET 20 HA MET 20 -6.400 -4.247 -0.756 129 HB2 MET 20 1HB MET 20 -8.507 -3.849 0.278 130 HB3 MET 20 2HB MET 20 -7.372 -4.395 1.505 131 HG2 MET 20 1HG MET 20 -7.106 -2.143 2.368 132 HG3 MET 20 2HG MET 20 -8.044 -1.458 1.047 133 HE1 MET 20 3HE MET 20 -10.655 -3.282 0.761 134 HE2 MET 20 1HE MET 20 -11.714 -2.365 1.847 135 HE3 MET 20 2HE MET 20 -10.593 -1.504 0.771 136 H LYS 21 H LYS 21 -8.233 -3.226 -1.938 137 HA LYS 21 HA LYS 21 -7.414 -1.115 -3.596 138 HB2 LYS 21 1HB LYS 21 -9.536 -1.437 -4.709 139 HB3 LYS 21 2HB LYS 21 -8.871 -2.992 -4.224 140 HG2 LYS 21 1HG LYS 21 -10.415 -3.058 -2.265 141 HG3 LYS 21 2HG LYS 21 -11.063 -1.475 -2.728 142 HD2 LYS 21 1HD LYS 21 -11.805 -2.457 -4.921 143 HD3 LYS 21 2HD LYS 21 -11.192 -4.024 -4.386 144 HE2 LYS 21 1HE LYS 21 -13.528 -4.079 -4.004 145 HE3 LYS 21 2HE LYS 21 -12.767 -3.925 -2.420 146 HZ1 LYS 21 3HZ LYS 21 -13.978 -1.686 -3.965 147 HZ2 LYS 21 1HZ LYS 21 -13.306 -1.535 -2.482 148 HZ3 LYS 21 2HZ LYS 21 -14.665 -2.416 -2.681 149 H ASN 22 H ASN 22 -7.815 -0.128 -0.699 150 HA ASN 22 HA ASN 22 -9.997 1.810 -0.919 151 HB2 ASN 22 1HB ASN 22 -9.519 2.409 1.325 152 HB3 ASN 22 2HB ASN 22 -9.447 0.663 1.201 153 HD21 ASN 22 1HD2 ASN 22 -8.174 0.410 3.079 154 HD22 ASN 22 2HD2 ASN 22 -6.513 0.981 3.150 155 H GLY 23 H GLY 23 -6.686 1.884 -1.835 156 HA2 GLY 23 1HA GLY 23 -5.516 3.483 -3.023 157 HA3 GLY 23 2HA GLY 23 -6.902 4.565 -2.925 158 H SER 24 H SER 24 -7.252 5.320 -0.444 159 HA SER 24 HA SER 24 -5.207 7.206 -0.083 160 HB2 SER 24 1HB SER 24 -7.339 6.370 1.916 161 HB3 SER 24 2HB SER 24 -6.424 7.890 1.931 162 HG SER 24 HG SER 24 -8.477 8.122 0.918 163 H ASP 25 H ASP 25 -5.650 4.150 1.765 164 HA ASP 25 HA ASP 25 -3.644 4.888 3.748 165 HB2 ASP 25 1HB ASP 25 -5.610 3.340 4.109 166 HB3 ASP 25 2HB ASP 25 -4.769 2.141 3.117 167 H LEU 26 H LEU 26 -3.643 3.112 0.704 168 HA LEU 26 HA LEU 26 -0.877 2.221 0.822 169 HB2 LEU 26 1HB LEU 26 -2.500 1.100 -0.596 170 HB3 LEU 26 2HB LEU 26 -2.887 2.600 -1.435 171 HG LEU 26 HG LEU 26 -0.641 2.689 -2.428 172 HD11 LEU 26 1HD1 LEU 26 0.839 0.650 -2.224 173 HD12 LEU 26 2HD1 LEU 26 -0.192 0.116 -0.872 174 HD13 LEU 26 3HD1 LEU 26 0.742 1.610 -0.746 175 HD21 LEU 26 3HD2 LEU 26 -2.004 -0.000 -2.780 176 HD22 LEU 26 1HD2 LEU 26 -0.877 0.774 -3.922 177 HD23 LEU 26 2HD2 LEU 26 -2.451 1.515 -3.593 178 H GLN 27 H GLN 27 -2.552 5.078 -0.597 179 HA GLN 27 HA GLN 27 -0.353 6.234 -1.885 180 HB2 GLN 27 1HB GLN 27 -2.706 6.886 -2.171 181 HB3 GLN 27 2HB GLN 27 -2.734 7.588 -0.547 182 HG2 GLN 27 1HG GLN 27 -1.089 9.273 -1.208 183 HG3 GLN 27 2HG GLN 27 -0.888 8.506 -2.792 184 HE21 GLN 27 1HE2 GLN 27 -3.374 10.122 -0.704 185 HE22 GLN 27 2HE2 GLN 27 -4.311 10.713 -2.069 186 H ARG 28 H ARG 28 -1.411 6.790 1.531 187 HA ARG 28 HA ARG 28 0.847 8.496 2.120 188 HB2 ARG 28 1HB ARG 28 0.187 8.424 4.401 189 HB3 ARG 28 2HB ARG 28 -1.236 8.617 3.380 190 HG2 ARG 28 1HG ARG 28 -1.805 6.236 3.697 191 HG3 ARG 28 2HG ARG 28 -0.362 6.010 4.710 192 HD2 ARG 28 1HD ARG 28 -1.213 7.713 6.290 193 HD3 ARG 28 2HD ARG 28 -2.666 7.919 5.289 194 HE ARG 28 HE ARG 28 -2.582 5.179 5.866 195 HH11 ARG 28 2HH1 ARG 28 -2.799 8.055 7.886 196 HH12 ARG 28 1HH1 ARG 28 -3.646 7.181 9.135 197 HH21 ARG 28 2HH2 ARG 28 -3.620 4.210 7.361 198 HH22 ARG 28 1HH2 ARG 28 -4.114 4.999 8.864 199 H HIS 29 H HIS 29 0.514 4.975 2.282 200 HA HIS 29 HA HIS 29 3.015 4.517 3.665 201 HB2 HIS 29 1HB HIS 29 1.268 2.829 3.591 202 HB3 HIS 29 2HB HIS 29 1.335 2.763 1.833 203 HD1 HIS 29 1HD HIS 29 3.454 1.731 4.883 204 HD2 HIS 29 2HD HIS 29 3.177 1.242 0.716 205 HE1 HIS 29 1HE HIS 29 5.087 -0.121 4.296 206 H ILE 30 H ILE 30 2.184 4.830 0.185 207 HA ILE 30 HA ILE 30 4.895 4.305 -0.715 208 HB ILE 30 HB ILE 30 2.445 5.566 -2.009 209 HG12 ILE 30 1HG1 ILE 30 3.905 2.943 -2.593 210 HG13 ILE 30 2HG1 ILE 30 2.522 3.066 -1.507 211 HG21 ILE 30 1HG2 ILE 30 4.349 6.644 -3.052 212 HG22 ILE 30 2HG2 ILE 30 5.198 5.086 -3.193 213 HG23 ILE 30 3HG2 ILE 30 3.758 5.426 -4.176 214 HD11 ILE 30 3HD1 ILE 30 2.511 3.664 -4.485 215 HD12 ILE 30 1HD1 ILE 30 1.693 2.351 -3.641 216 HD13 ILE 30 2HD1 ILE 30 1.170 4.039 -3.372 217 H TRP 31 H TRP 31 3.049 7.336 -0.285 218 HA TRP 31 HA TRP 31 5.107 9.209 -0.757 219 HB2 TRP 31 1HB TRP 31 2.775 9.142 1.154 220 HB3 TRP 31 2HB TRP 31 3.833 10.533 1.076 221 HD1 TRP 31 1HD TRP 31 3.944 9.927 -2.335 222 HE1 TRP 31 1HE TRP 31 2.142 11.094 -3.666 223 HE3 TRP 31 3HE TRP 31 0.666 10.943 1.481 224 HZ2 TRP 31 2HZ TRP 31 -0.417 12.376 -3.170 225 HZ3 TRP 31 3HZ TRP 31 -1.443 12.173 1.015 226 HH2 TRP 31 2HH TRP 31 -1.989 12.901 -1.297 227 H ALA 32 H ALA 32 4.709 7.110 2.067 228 HA ALA 32 HA ALA 32 6.707 8.444 3.681 229 HB1 ALA 32 1HB ALA 32 6.484 6.457 5.125 230 HB2 ALA 32 2HB ALA 32 4.890 7.069 4.639 231 HB3 ALA 32 3HB ALA 32 5.568 5.623 3.856 232 H HIS 33 H HIS 33 6.863 5.654 1.402 233 HA HIS 33 HA HIS 33 9.687 5.118 1.810 234 HB2 HIS 33 1HB HIS 33 7.821 4.572 -0.535 235 HB3 HIS 33 2HB HIS 33 9.500 4.067 -0.468 236 HD1 HIS 33 1HD HIS 33 10.065 2.427 1.825 237 HD2 HIS 33 2HD HIS 33 6.203 2.689 0.195 238 HE1 HIS 33 1HE HIS 33 8.886 0.288 2.505 239 H GLU 34 H GLU 34 7.887 7.322 -0.334 240 HA GLU 34 HA GLU 34 10.244 8.484 -1.576 241 HB2 GLU 34 1HB GLU 34 7.332 9.306 -1.365 242 HB3 GLU 34 2HB GLU 34 8.516 10.296 -2.208 243 HG2 GLU 34 1HG GLU 34 8.059 7.373 -2.921 244 HG3 GLU 34 2HG GLU 34 7.124 8.686 -3.620 245 H GLY 35 H GLY 35 9.394 8.661 1.630 246 HA2 GLY 35 1HA GLY 35 10.379 9.842 3.322 247 HA3 GLY 35 2HA GLY 35 11.287 10.782 2.135 248 H VAL 36 H VAL 36 7.830 10.859 1.768 249 HA VAL 36 HA VAL 36 7.757 13.728 2.320 250 HB VAL 36 HB VAL 36 5.491 11.858 1.561 251 HG11 VAL 36 1HG1 VAL 36 4.410 13.914 0.704 252 HG12 VAL 36 2HG1 VAL 36 4.657 13.985 2.447 253 HG13 VAL 36 3HG1 VAL 36 5.744 14.886 1.362 254 HG21 VAL 36 3HG2 VAL 36 5.830 12.695 -0.751 255 HG22 VAL 36 1HG2 VAL 36 7.299 13.546 -0.214 256 HG23 VAL 36 2HG2 VAL 36 7.217 11.769 -0.177 257 H LYS 37 H LYS 37 6.928 14.748 4.028 258 HA LYS 37 HA LYS 37 5.355 13.365 6.136 259 HB2 LYS 37 1HB LYS 37 7.911 14.963 6.609 260 HB3 LYS 37 2HB LYS 37 6.779 14.506 7.876 261 HG2 LYS 37 1HG LYS 37 8.350 12.532 6.159 262 HG3 LYS 37 2HG LYS 37 8.787 13.063 7.780 263 HD2 LYS 37 1HD LYS 37 6.689 12.111 8.691 264 HD3 LYS 37 2HD LYS 37 6.236 11.543 7.070 265 HE2 LYS 37 1HE LYS 37 8.288 10.169 6.959 266 HE3 LYS 37 2HE LYS 37 8.764 10.733 8.567 267 HZ1 LYS 37 3HZ LYS 37 7.656 8.574 8.678 268 HZ2 LYS 37 1HZ LYS 37 6.307 9.166 7.975 269 HZ3 LYS 37 2HZ LYS 37 6.753 9.685 9.460 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 11.127 -18.648 4.173 2 H2 GLY 1 2H GLY 1 11.283 -17.080 4.618 3 H3 GLY 1 3H GLY 1 12.421 -17.779 3.668 4 HA2 GLY 1 1HA GLY 1 11.037 -16.339 2.337 5 HA3 GLY 1 2HA GLY 1 10.853 -18.038 1.863 6 H SER 2 H SER 2 8.808 -17.237 0.941 7 HA SER 2 HA SER 2 6.561 -17.631 2.810 8 HB2 SER 2 1HB SER 2 7.006 -15.148 2.736 9 HB3 SER 2 2HB SER 2 6.656 -15.189 0.998 10 HG SER 2 HG SER 2 4.815 -14.650 2.307 11 H SER 3 H SER 3 4.556 -18.106 1.709 12 HA SER 3 HA SER 3 4.583 -18.704 -1.168 13 HB2 SER 3 1HB SER 3 4.030 -21.078 -0.876 14 HB3 SER 3 2HB SER 3 5.645 -20.703 -0.261 15 HG SER 3 HG SER 3 4.458 -22.034 1.186 16 H GLY 4 H GLY 4 2.496 -19.463 -1.977 17 HA2 GLY 4 1HA GLY 4 0.084 -19.551 -0.491 18 HA3 GLY 4 2HA GLY 4 0.299 -17.901 -1.080 19 H SER 5 H SER 5 -1.867 -18.895 -2.015 20 HA SER 5 HA SER 5 -1.384 -19.385 -4.883 21 HB2 SER 5 1HB SER 5 -1.550 -21.653 -3.869 22 HB3 SER 5 2HB SER 5 -3.155 -21.235 -3.240 23 HG SER 5 HG SER 5 -3.209 -22.361 -5.273 24 H SER 6 H SER 6 -3.106 -18.811 -6.203 25 HA SER 6 HA SER 6 -4.757 -17.465 -6.946 26 HB2 SER 6 1HB SER 6 -6.291 -18.681 -4.632 27 HB3 SER 6 2HB SER 6 -6.988 -17.943 -6.084 28 HG SER 6 HG SER 6 -5.266 -20.218 -6.017 29 H GLY 7 H GLY 7 -3.027 -16.100 -4.899 30 HA2 GLY 7 1HA GLY 7 -4.678 -14.162 -3.509 31 HA3 GLY 7 2HA GLY 7 -2.935 -14.079 -3.750 32 H ARG 8 H ARG 8 -5.273 -12.134 -4.076 33 HA ARG 8 HA ARG 8 -4.467 -10.991 -6.718 34 HB2 ARG 8 1HB ARG 8 -6.713 -12.315 -6.600 35 HB3 ARG 8 2HB ARG 8 -7.335 -10.903 -5.744 36 HG2 ARG 8 1HG ARG 8 -6.829 -9.488 -7.728 37 HG3 ARG 8 2HG ARG 8 -6.018 -10.852 -8.506 38 HD2 ARG 8 1HD ARG 8 -8.218 -10.608 -9.474 39 HD3 ARG 8 2HD ARG 8 -8.151 -12.104 -8.556 40 HE ARG 8 HE ARG 8 -9.711 -11.285 -7.037 41 HH11 ARG 8 1HH1 ARG 8 -8.783 -8.604 -9.099 42 HH12 ARG 8 2HH1 ARG 8 -10.085 -7.598 -8.526 43 HH21 ARG 8 2HH2 ARG 8 -11.334 -9.946 -6.345 44 HH22 ARG 8 1HH2 ARG 8 -11.484 -8.344 -7.003 45 H ALA 9 H ALA 9 -3.927 -10.361 -3.731 46 HA ALA 9 HA ALA 9 -4.929 -7.641 -3.385 47 HB1 ALA 9 1HB ALA 9 -3.494 -7.664 -1.384 48 HB2 ALA 9 2HB ALA 9 -4.515 -9.112 -1.461 49 HB3 ALA 9 3HB ALA 9 -2.792 -9.216 -1.892 50 H MET 10 H MET 10 -3.499 -5.801 -3.042 51 HA MET 10 HA MET 10 -1.725 -5.409 -5.357 52 HB2 MET 10 1HB MET 10 -3.614 -3.877 -4.387 53 HB3 MET 10 2HB MET 10 -2.433 -3.401 -3.183 54 HG2 MET 10 1HG MET 10 -2.250 -3.105 -6.198 55 HG3 MET 10 2HG MET 10 -2.598 -1.832 -5.032 56 HE1 MET 10 3HE MET 10 -0.899 -1.404 -2.996 57 HE2 MET 10 1HE MET 10 0.089 -2.867 -2.837 58 HE3 MET 10 2HE MET 10 0.856 -1.333 -3.261 59 H LYS 11 H LYS 11 0.528 -5.464 -5.212 60 HA LYS 11 HA LYS 11 1.793 -5.651 -2.509 61 HB2 LYS 11 1HB LYS 11 2.290 -7.393 -4.322 62 HB3 LYS 11 2HB LYS 11 3.147 -6.117 -5.191 63 HG2 LYS 11 1HG LYS 11 4.566 -5.743 -3.136 64 HG3 LYS 11 2HG LYS 11 3.717 -7.082 -2.350 65 HD2 LYS 11 1HD LYS 11 4.579 -8.620 -4.140 66 HD3 LYS 11 2HD LYS 11 5.467 -7.247 -4.850 67 HE2 LYS 11 1HE LYS 11 6.617 -6.882 -2.674 68 HE3 LYS 11 2HE LYS 11 5.739 -8.251 -1.981 69 HZ1 LYS 11 3HZ LYS 11 6.889 -9.701 -3.566 70 HZ2 LYS 11 1HZ LYS 11 7.946 -8.879 -2.617 71 HZ3 LYS 11 2HZ LYS 11 7.721 -8.429 -4.182 72 H CYS 12 H CYS 12 2.924 -3.993 -1.659 73 HA CYS 12 HA CYS 12 2.906 -1.401 -2.664 74 HB2 CYS 12 1HB CYS 12 3.267 -1.911 -0.350 75 HB3 CYS 12 2HB CYS 12 4.716 -2.857 -0.714 76 HA PRO 13 HA PRO 13 5.995 -1.532 -5.840 77 HB2 PRO 13 1HB PRO 13 6.360 1.182 -6.294 78 HB3 PRO 13 2HB PRO 13 4.988 0.197 -6.874 79 HG2 PRO 13 1HG PRO 13 5.088 2.051 -4.508 80 HG3 PRO 13 2HG PRO 13 3.741 1.744 -5.643 81 HD2 PRO 13 1HD PRO 13 3.895 0.645 -3.141 82 HD3 PRO 13 2HD PRO 13 3.038 -0.111 -4.515 83 H TYR 14 H TYR 14 6.738 -0.607 -2.692 84 HA TYR 14 HA TYR 14 9.675 -0.405 -3.311 85 HB2 TYR 14 1HB TYR 14 8.062 0.989 -1.173 86 HB3 TYR 14 2HB TYR 14 9.815 1.017 -1.265 87 HD1 TYR 14 1HD TYR 14 6.684 2.140 -2.895 88 HD2 TYR 14 2HD TYR 14 10.983 2.435 -2.834 89 HE1 TYR 14 1HE TYR 14 6.590 4.074 -4.499 90 HE2 TYR 14 2HE TYR 14 10.880 4.400 -4.363 91 HH TYR 14 HH TYR 14 9.535 5.747 -5.637 92 H CYS 15 H CYS 15 7.242 -1.979 -1.280 93 HA CYS 15 HA CYS 15 9.382 -3.702 -0.169 94 HB2 CYS 15 1HB CYS 15 8.753 -3.448 2.094 95 HB3 CYS 15 2HB CYS 15 9.046 -1.847 1.438 96 H ASP 16 H ASP 16 8.203 -5.383 1.417 97 HA ASP 16 HA ASP 16 6.659 -6.982 -0.491 98 HB2 ASP 16 1HB ASP 16 8.043 -7.668 2.109 99 HB3 ASP 16 2HB ASP 16 7.123 -8.833 1.159 100 H PHE 17 H PHE 17 5.535 -4.820 1.705 101 HA PHE 17 HA PHE 17 3.435 -6.442 2.925 102 HB2 PHE 17 1HB PHE 17 4.024 -3.479 2.895 103 HB3 PHE 17 2HB PHE 17 2.545 -4.130 3.579 104 HD1 PHE 17 2HD PHE 17 6.257 -4.096 3.956 105 HD2 PHE 17 1HD PHE 17 2.494 -5.325 5.671 106 HE1 PHE 17 2HE PHE 17 7.401 -4.612 6.095 107 HE2 PHE 17 1HE PHE 17 3.643 -5.841 7.811 108 HZ PHE 17 HZ PHE 17 6.097 -5.485 8.028 109 H TYR 18 H TYR 18 1.385 -6.722 2.400 110 HA TYR 18 HA TYR 18 0.425 -5.803 -0.218 111 HB2 TYR 18 1HB TYR 18 -0.441 -7.991 1.674 112 HB3 TYR 18 2HB TYR 18 -1.446 -7.479 0.321 113 HD1 TYR 18 1HD TYR 18 -0.760 -7.741 -1.989 114 HD2 TYR 18 2HD TYR 18 1.763 -9.089 1.234 115 HE1 TYR 18 1HE TYR 18 0.679 -8.906 -3.623 116 HE2 TYR 18 2HE TYR 18 3.202 -10.275 -0.382 117 HH TYR 18 HH TYR 18 3.530 -10.860 -2.591 118 H PHE 19 H PHE 19 -1.493 -4.921 -0.666 119 HA PHE 19 HA PHE 19 -3.067 -3.530 1.449 120 HB2 PHE 19 1HB PHE 19 -1.551 -2.335 -0.896 121 HB3 PHE 19 2HB PHE 19 -2.910 -1.504 -0.175 122 HD1 PHE 19 1HD PHE 19 0.576 -2.630 0.420 123 HD2 PHE 19 2HD PHE 19 -2.803 -0.446 1.986 124 HE1 PHE 19 1HE PHE 19 2.010 -1.682 2.211 125 HE2 PHE 19 2HE PHE 19 -1.359 0.524 3.752 126 HZ PHE 19 HZ PHE 19 1.040 -0.124 3.893 127 H MET 20 H MET 20 -4.936 -2.421 0.522 128 HA MET 20 HA MET 20 -6.145 -3.664 -1.900 129 HB2 MET 20 1HB MET 20 -7.119 -4.473 0.276 130 HB3 MET 20 2HB MET 20 -7.645 -2.830 0.628 131 HG2 MET 20 1HG MET 20 -8.451 -4.202 -1.953 132 HG3 MET 20 2HG MET 20 -9.249 -4.625 -0.448 133 HE1 MET 20 3HE MET 20 -11.424 -4.049 -2.050 134 HE2 MET 20 1HE MET 20 -11.769 -2.405 -2.631 135 HE3 MET 20 2HE MET 20 -10.411 -3.322 -3.321 136 H LYS 21 H LYS 21 -7.849 -2.125 -2.818 137 HA LYS 21 HA LYS 21 -6.659 0.461 -3.374 138 HB2 LYS 21 1HB LYS 21 -9.335 -0.693 -4.256 139 HB3 LYS 21 2HB LYS 21 -8.505 0.700 -4.961 140 HG2 LYS 21 1HG LYS 21 -6.613 -0.782 -5.638 141 HG3 LYS 21 2HG LYS 21 -7.511 -2.181 -5.014 142 HD2 LYS 21 1HD LYS 21 -9.394 -1.629 -6.576 143 HD3 LYS 21 2HD LYS 21 -8.401 -0.322 -7.258 144 HE2 LYS 21 1HE LYS 21 -6.644 -2.005 -7.841 145 HE3 LYS 21 2HE LYS 21 -7.679 -3.287 -7.193 146 HZ1 LYS 21 3HZ LYS 21 -7.914 -3.092 -9.605 147 HZ2 LYS 21 1HZ LYS 21 -8.377 -1.532 -9.491 148 HZ3 LYS 21 2HZ LYS 21 -9.333 -2.715 -8.895 149 H ASN 22 H ASN 22 -7.189 0.461 -0.678 150 HA ASN 22 HA ASN 22 -9.733 1.765 -0.072 151 HB2 ASN 22 1HB ASN 22 -8.568 -0.054 1.285 152 HB3 ASN 22 2HB ASN 22 -7.423 1.175 1.814 153 HD21 ASN 22 1HD2 ASN 22 -8.555 3.204 2.806 154 HD22 ASN 22 2HD2 ASN 22 -9.921 2.841 3.870 155 H GLY 23 H GLY 23 -8.783 3.441 -1.791 156 HA2 GLY 23 1HA GLY 23 -8.271 5.654 -2.210 157 HA3 GLY 23 2HA GLY 23 -8.824 5.937 -0.562 158 H SER 24 H SER 24 -7.418 7.116 0.551 159 HA SER 24 HA SER 24 -4.681 7.490 -0.245 160 HB2 SER 24 1HB SER 24 -4.610 9.034 1.694 161 HB3 SER 24 2HB SER 24 -5.955 9.341 0.582 162 HG SER 24 HG SER 24 -6.624 9.368 2.788 163 H ASP 25 H ASP 25 -5.989 5.001 1.708 164 HA ASP 25 HA ASP 25 -4.004 4.907 3.753 165 HB2 ASP 25 1HB ASP 25 -6.259 3.785 3.768 166 HB3 ASP 25 2HB ASP 25 -5.608 2.580 2.647 167 H LEU 26 H LEU 26 -3.963 3.610 0.470 168 HA LEU 26 HA LEU 26 -1.345 2.288 0.831 169 HB2 LEU 26 1HB LEU 26 -2.910 1.328 -0.756 170 HB3 LEU 26 2HB LEU 26 -3.095 2.875 -1.588 171 HG LEU 26 HG LEU 26 -0.742 2.783 -2.344 172 HD11 LEU 26 1HD1 LEU 26 0.568 0.704 -2.108 173 HD12 LEU 26 2HD1 LEU 26 -0.687 0.030 -1.049 174 HD13 LEU 26 3HD1 LEU 26 0.270 1.429 -0.532 175 HD21 LEU 26 3HD2 LEU 26 -2.484 1.888 -3.777 176 HD22 LEU 26 1HD2 LEU 26 -2.375 0.305 -2.981 177 HD23 LEU 26 2HD2 LEU 26 -1.004 0.929 -3.939 178 H GLN 27 H GLN 27 -2.638 5.341 -0.495 179 HA GLN 27 HA GLN 27 -0.264 6.257 -1.749 180 HB2 GLN 27 1HB GLN 27 -2.516 7.890 -0.521 181 HB3 GLN 27 2HB GLN 27 -1.296 8.489 -1.644 182 HG2 GLN 27 1HG GLN 27 -2.074 6.983 -3.406 183 HG3 GLN 27 2HG GLN 27 -3.280 6.276 -2.332 184 HE21 GLN 27 1HE2 GLN 27 -4.118 7.327 -4.757 185 HE22 GLN 27 2HE2 GLN 27 -5.026 8.799 -4.437 186 H ARG 28 H ARG 28 -1.436 6.883 1.602 187 HA ARG 28 HA ARG 28 0.779 8.492 2.420 188 HB2 ARG 28 1HB ARG 28 -0.003 8.203 4.645 189 HB3 ARG 28 2HB ARG 28 -1.410 8.311 3.589 190 HG2 ARG 28 1HG ARG 28 -1.544 5.774 3.653 191 HG3 ARG 28 2HG ARG 28 -0.249 5.790 4.860 192 HD2 ARG 28 1HD ARG 28 -1.707 7.272 6.295 193 HD3 ARG 28 2HD ARG 28 -2.997 7.064 5.109 194 HE ARG 28 HE ARG 28 -3.279 4.791 5.759 195 HH11 ARG 28 2HH1 ARG 28 -0.613 6.116 7.642 196 HH12 ARG 28 1HH1 ARG 28 -0.619 4.736 8.705 197 HH21 ARG 28 1HH2 ARG 28 -3.224 3.189 7.033 198 HH22 ARG 28 2HH2 ARG 28 -2.095 3.073 8.387 199 H HIS 29 H HIS 29 0.510 4.976 2.283 200 HA HIS 29 HA HIS 29 2.982 4.459 3.732 201 HB2 HIS 29 1HB HIS 29 1.174 2.825 3.665 202 HB3 HIS 29 2HB HIS 29 1.251 2.741 1.908 203 HD1 HIS 29 1HD HIS 29 3.307 1.662 4.985 204 HD2 HIS 29 2HD HIS 29 3.061 1.173 0.816 205 HE1 HIS 29 1HE HIS 29 4.914 -0.219 4.416 206 H ILE 30 H ILE 30 2.121 4.821 0.273 207 HA ILE 30 HA ILE 30 4.805 4.228 -0.673 208 HB ILE 30 HB ILE 30 2.360 5.533 -1.925 209 HG12 ILE 30 1HG1 ILE 30 3.758 2.863 -2.451 210 HG13 ILE 30 2HG1 ILE 30 2.338 3.059 -1.422 211 HG21 ILE 30 1HG2 ILE 30 3.605 5.396 -4.116 212 HG22 ILE 30 2HG2 ILE 30 4.271 6.573 -3.002 213 HG23 ILE 30 3HG2 ILE 30 5.069 4.995 -3.189 214 HD11 ILE 30 3HD1 ILE 30 1.115 4.052 -3.378 215 HD12 ILE 30 1HD1 ILE 30 2.480 3.547 -4.411 216 HD13 ILE 30 2HD1 ILE 30 1.546 2.325 -3.547 217 H TRP 31 H TRP 31 3.033 7.302 -0.258 218 HA TRP 31 HA TRP 31 5.112 9.104 -0.825 219 HB2 TRP 31 1HB TRP 31 2.841 9.212 1.165 220 HB3 TRP 31 2HB TRP 31 3.885 10.590 0.856 221 HD1 TRP 31 1HD TRP 31 4.008 9.979 -2.391 222 HE1 TRP 31 1HE TRP 31 2.052 10.684 -3.820 223 HE3 TRP 31 3HE TRP 31 0.464 10.462 1.290 224 HZ2 TRP 31 2HZ TRP 31 -0.742 11.407 -3.451 225 HZ3 TRP 31 3HZ TRP 31 -1.845 11.168 0.709 226 HH2 TRP 31 2HH TRP 31 -2.460 11.640 -1.651 227 H ALA 32 H ALA 32 4.742 7.104 2.064 228 HA ALA 32 HA ALA 32 6.781 8.463 3.605 229 HB1 ALA 32 1HB ALA 32 4.993 7.105 4.643 230 HB2 ALA 32 2HB ALA 32 5.620 5.650 3.837 231 HB3 ALA 32 3HB ALA 32 6.595 6.471 5.072 232 H HIS 33 H HIS 33 6.848 5.619 1.385 233 HA HIS 33 HA HIS 33 9.678 5.066 1.728 234 HB2 HIS 33 1HB HIS 33 7.752 4.449 -0.550 235 HB3 HIS 33 2HB HIS 33 9.414 3.893 -0.465 236 HD1 HIS 33 1HD HIS 33 9.912 2.379 1.960 237 HD2 HIS 33 2HD HIS 33 6.107 2.617 0.201 238 HE1 HIS 33 1HE HIS 33 8.677 0.292 2.706 239 H GLU 34 H GLU 34 7.818 7.198 -0.453 240 HA GLU 34 HA GLU 34 10.143 8.181 -1.893 241 HB2 GLU 34 1HB GLU 34 7.310 9.244 -1.596 242 HB3 GLU 34 2HB GLU 34 8.540 9.979 -2.630 243 HG2 GLU 34 1HG GLU 34 8.791 7.770 -3.810 244 HG3 GLU 34 2HG GLU 34 7.386 7.181 -2.914 245 H GLY 35 H GLY 35 9.255 8.740 1.329 246 HA2 GLY 35 1HA GLY 35 10.203 10.089 2.921 247 HA3 GLY 35 2HA GLY 35 11.318 10.712 1.702 248 H VAL 36 H VAL 36 7.815 11.007 1.331 249 HA VAL 36 HA VAL 36 7.910 13.824 0.838 250 HB VAL 36 HB VAL 36 5.549 12.011 1.452 251 HG11 VAL 36 1HG1 VAL 36 5.585 14.782 0.183 252 HG12 VAL 36 2HG1 VAL 36 4.186 13.687 0.233 253 HG13 VAL 36 3HG1 VAL 36 4.835 14.333 1.736 254 HG21 VAL 36 3HG2 VAL 36 6.714 12.957 -1.206 255 HG22 VAL 36 1HG2 VAL 36 6.825 11.311 -0.554 256 HG23 VAL 36 2HG2 VAL 36 5.251 11.967 -1.001 257 H LYS 37 H LYS 37 7.392 15.585 2.029 258 HA LYS 37 HA LYS 37 7.285 15.288 5.003 259 HB2 LYS 37 1HB LYS 37 8.311 17.629 3.359 260 HB3 LYS 37 2HB LYS 37 8.388 17.452 5.108 261 HG2 LYS 37 1HG LYS 37 9.898 15.783 3.049 262 HG3 LYS 37 2HG LYS 37 10.560 17.042 4.086 263 HD2 LYS 37 1HD LYS 37 10.033 15.676 6.098 264 HD3 LYS 37 2HD LYS 37 9.399 14.387 5.048 265 HE2 LYS 37 1HE LYS 37 11.593 14.205 3.924 266 HE3 LYS 37 2HE LYS 37 12.240 15.485 4.959 267 HZ1 LYS 37 3HZ LYS 37 11.234 12.859 5.925 268 HZ2 LYS 37 1HZ LYS 37 11.835 14.040 6.882 269 HZ3 LYS 37 2HZ LYS 37 12.806 13.283 5.813 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 10.296 -15.146 -3.220 2 H2 GLY 1 2H GLY 1 9.060 -14.337 -3.927 3 H3 GLY 1 3H GLY 1 10.003 -15.335 -4.820 4 HA2 GLY 1 1HA GLY 1 7.895 -16.395 -4.397 5 HA3 GLY 1 2HA GLY 1 9.224 -17.263 -3.608 6 H SER 2 H SER 2 8.324 -18.070 -1.790 7 HA SER 2 HA SER 2 7.310 -18.262 0.210 8 HB2 SER 2 1HB SER 2 8.353 -15.456 0.662 9 HB3 SER 2 2HB SER 2 7.950 -16.655 1.905 10 HG SER 2 HG SER 2 10.197 -16.625 1.433 11 H SER 3 H SER 3 5.455 -17.317 -1.825 12 HA SER 3 HA SER 3 3.237 -16.563 -0.055 13 HB2 SER 3 1HB SER 3 4.229 -14.385 -0.832 14 HB3 SER 3 2HB SER 3 3.872 -14.868 -2.502 15 HG SER 3 HG SER 3 2.209 -13.568 -1.544 16 H GLY 4 H GLY 4 1.170 -16.968 -0.978 17 HA2 GLY 4 1HA GLY 4 0.483 -17.819 -3.533 18 HA3 GLY 4 2HA GLY 4 1.041 -19.280 -2.715 19 H SER 5 H SER 5 -1.379 -19.559 -3.452 20 HA SER 5 HA SER 5 -3.565 -19.901 -2.938 21 HB2 SER 5 1HB SER 5 -2.398 -20.341 -0.176 22 HB3 SER 5 2HB SER 5 -3.943 -20.972 -0.778 23 HG SER 5 HG SER 5 -2.237 -22.508 -0.965 24 H SER 6 H SER 6 -3.185 -17.175 -3.072 25 HA SER 6 HA SER 6 -5.260 -16.129 -1.220 26 HB2 SER 6 1HB SER 6 -2.936 -15.663 -0.318 27 HB3 SER 6 2HB SER 6 -2.665 -14.645 -1.745 28 HG SER 6 HG SER 6 -3.459 -13.481 0.109 29 H GLY 7 H GLY 7 -5.984 -13.924 -1.889 30 HA2 GLY 7 1HA GLY 7 -6.896 -14.013 -4.651 31 HA3 GLY 7 2HA GLY 7 -7.313 -12.816 -3.433 32 H ARG 8 H ARG 8 -7.138 -11.758 -5.706 33 HA ARG 8 HA ARG 8 -4.505 -10.957 -6.642 34 HB2 ARG 8 1HB ARG 8 -5.704 -9.751 -8.379 35 HB3 ARG 8 2HB ARG 8 -6.223 -11.424 -8.231 36 HG2 ARG 8 1HG ARG 8 -8.284 -10.732 -7.060 37 HG3 ARG 8 2HG ARG 8 -7.770 -9.036 -7.115 38 HD2 ARG 8 1HD ARG 8 -7.748 -9.118 -9.584 39 HD3 ARG 8 2HD ARG 8 -8.265 -10.817 -9.532 40 HE ARG 8 HE ARG 8 -10.131 -9.287 -8.031 41 HH11 ARG 8 2HH1 ARG 8 -9.212 -9.611 -11.396 42 HH12 ARG 8 1HH1 ARG 8 -10.787 -9.130 -11.968 43 HH21 ARG 8 2HH2 ARG 8 -12.116 -8.685 -8.826 44 HH22 ARG 8 1HH2 ARG 8 -12.384 -8.621 -10.543 45 H ALA 9 H ALA 9 -4.443 -10.192 -4.115 46 HA ALA 9 HA ALA 9 -5.212 -7.473 -3.577 47 HB1 ALA 9 1HB ALA 9 -3.055 -9.211 -2.302 48 HB2 ALA 9 2HB ALA 9 -3.728 -7.715 -1.624 49 HB3 ALA 9 3HB ALA 9 -4.767 -9.141 -1.814 50 H MET 10 H MET 10 -3.868 -5.685 -3.179 51 HA MET 10 HA MET 10 -2.102 -5.028 -5.418 52 HB2 MET 10 1HB MET 10 -3.967 -3.632 -4.255 53 HB3 MET 10 2HB MET 10 -2.816 -3.368 -2.966 54 HG2 MET 10 1HG MET 10 -2.540 -2.587 -5.879 55 HG3 MET 10 2HG MET 10 -2.994 -1.526 -4.556 56 HE1 MET 10 3HE MET 10 0.508 -1.415 -2.548 57 HE2 MET 10 1HE MET 10 -1.253 -1.420 -2.319 58 HE3 MET 10 2HE MET 10 -0.351 -2.944 -2.451 59 H LYS 11 H LYS 11 0.159 -4.878 -5.297 60 HA LYS 11 HA LYS 11 1.485 -5.275 -2.635 61 HB2 LYS 11 1HB LYS 11 1.914 -7.031 -4.452 62 HB3 LYS 11 2HB LYS 11 2.776 -5.770 -5.339 63 HG2 LYS 11 1HG LYS 11 4.228 -5.412 -3.291 64 HG3 LYS 11 2HG LYS 11 3.385 -6.758 -2.514 65 HD2 LYS 11 1HD LYS 11 4.215 -8.263 -4.358 66 HD3 LYS 11 2HD LYS 11 5.112 -6.877 -5.030 67 HE2 LYS 11 1HE LYS 11 6.269 -6.579 -2.847 68 HE3 LYS 11 2HE LYS 11 5.389 -7.966 -2.193 69 HZ1 LYS 11 3HZ LYS 11 7.355 -8.083 -4.411 70 HZ2 LYS 11 1HZ LYS 11 6.522 -9.371 -3.828 71 HZ3 LYS 11 2HZ LYS 11 7.593 -8.583 -2.864 72 H CYS 12 H CYS 12 2.728 -3.700 -1.837 73 HA CYS 12 HA CYS 12 2.769 -1.072 -2.790 74 HB2 CYS 12 1HB CYS 12 3.144 -1.694 -0.501 75 HB3 CYS 12 2HB CYS 12 4.563 -2.655 -0.928 76 HA PRO 13 HA PRO 13 5.844 -1.273 -5.992 77 HB2 PRO 13 1HB PRO 13 6.266 1.424 -6.441 78 HB3 PRO 13 2HB PRO 13 4.856 0.484 -7.003 79 HG2 PRO 13 1HG PRO 13 5.052 2.318 -4.627 80 HG3 PRO 13 2HG PRO 13 3.682 2.071 -5.747 81 HD2 PRO 13 1HD PRO 13 3.820 0.939 -3.258 82 HD3 PRO 13 2HD PRO 13 2.923 0.231 -4.631 83 H TYR 14 H TYR 14 6.601 -0.393 -2.830 84 HA TYR 14 HA TYR 14 9.542 -0.219 -3.448 85 HB2 TYR 14 1HB TYR 14 7.939 1.127 -1.273 86 HB3 TYR 14 2HB TYR 14 9.692 1.106 -1.326 87 HD1 TYR 14 1HD TYR 14 6.645 2.345 -3.034 88 HD2 TYR 14 2HD TYR 14 10.934 2.600 -2.738 89 HE1 TYR 14 1HE TYR 14 6.643 4.349 -4.553 90 HE2 TYR 14 2HE TYR 14 10.921 4.643 -4.166 91 HH TYR 14 HH TYR 14 9.653 6.062 -5.441 92 H CYS 15 H CYS 15 7.092 -1.776 -1.398 93 HA CYS 15 HA CYS 15 9.219 -3.549 -0.323 94 HB2 CYS 15 1HB CYS 15 8.604 -3.294 1.934 95 HB3 CYS 15 2HB CYS 15 8.880 -1.688 1.282 96 H ASP 16 H ASP 16 8.040 -5.223 1.244 97 HA ASP 16 HA ASP 16 6.399 -6.786 -0.628 98 HB2 ASP 16 1HB ASP 16 7.911 -7.545 1.879 99 HB3 ASP 16 2HB ASP 16 6.938 -8.678 0.942 100 H PHE 17 H PHE 17 5.363 -4.583 1.473 101 HA PHE 17 HA PHE 17 3.275 -6.141 2.820 102 HB2 PHE 17 1HB PHE 17 3.903 -3.193 2.669 103 HB3 PHE 17 2HB PHE 17 2.395 -3.779 3.339 104 HD1 PHE 17 1HD PHE 17 6.116 -3.998 3.775 105 HD2 PHE 17 2HD PHE 17 2.237 -4.688 5.530 106 HE1 PHE 17 1HE PHE 17 7.186 -4.432 5.969 107 HE2 PHE 17 2HE PHE 17 3.312 -5.124 7.725 108 HZ PHE 17 HZ PHE 17 5.788 -4.997 7.950 109 H TYR 18 H TYR 18 1.202 -6.359 2.358 110 HA TYR 18 HA TYR 18 0.229 -5.544 -0.316 111 HB2 TYR 18 1HB TYR 18 -0.553 -7.796 1.557 112 HB3 TYR 18 2HB TYR 18 -1.484 -7.367 0.127 113 HD1 TYR 18 1HD TYR 18 1.771 -8.716 1.298 114 HD2 TYR 18 2HD TYR 18 -0.685 -7.756 -2.115 115 HE1 TYR 18 1HE TYR 18 3.363 -9.892 -0.173 116 HE2 TYR 18 2HE TYR 18 0.923 -8.885 -3.602 117 HH TYR 18 HH TYR 18 3.839 -10.586 -2.316 118 H PHE 19 H PHE 19 -1.848 -4.870 -0.694 119 HA PHE 19 HA PHE 19 -3.500 -3.890 1.592 120 HB2 PHE 19 1HB PHE 19 -2.781 -2.361 -0.932 121 HB3 PHE 19 2HB PHE 19 -4.137 -1.950 0.090 122 HD1 PHE 19 1HD PHE 19 -0.388 -2.373 0.212 123 HD2 PHE 19 2HD PHE 19 -3.878 -0.462 1.884 124 HE1 PHE 19 1HE PHE 19 1.067 -0.950 1.628 125 HE2 PHE 19 2HE PHE 19 -2.414 0.975 3.280 126 HZ PHE 19 HZ PHE 19 0.055 0.720 3.168 127 H MET 20 H MET 20 -5.640 -4.273 1.409 128 HA MET 20 HA MET 20 -6.639 -5.736 -0.987 129 HB2 MET 20 1HB MET 20 -8.520 -6.414 0.547 130 HB3 MET 20 2HB MET 20 -6.928 -7.061 0.886 131 HG2 MET 20 1HG MET 20 -8.142 -6.462 2.926 132 HG3 MET 20 2HG MET 20 -6.606 -5.639 2.769 133 HE1 MET 20 3HE MET 20 -10.528 -5.264 2.925 134 HE2 MET 20 1HE MET 20 -10.763 -3.568 2.437 135 HE3 MET 20 2HE MET 20 -10.226 -4.765 1.245 136 H LYS 21 H LYS 21 -6.554 -2.611 -0.092 137 HA LYS 21 HA LYS 21 -9.082 -1.875 -1.469 138 HB2 LYS 21 1HB LYS 21 -9.531 -2.078 0.974 139 HB3 LYS 21 2HB LYS 21 -8.222 -0.954 1.316 140 HG2 LYS 21 1HG LYS 21 -10.324 0.152 1.555 141 HG3 LYS 21 2HG LYS 21 -9.501 0.840 0.163 142 HD2 LYS 21 1HD LYS 21 -10.968 -0.511 -1.364 143 HD3 LYS 21 2HD LYS 21 -11.677 -1.302 0.049 144 HE2 LYS 21 1HE LYS 21 -13.251 0.335 -0.514 145 HE3 LYS 21 2HE LYS 21 -12.381 0.989 0.874 146 HZ1 LYS 21 3HZ LYS 21 -12.006 1.751 -1.980 147 HZ2 LYS 21 1HZ LYS 21 -10.998 2.268 -0.810 148 HZ3 LYS 21 2HZ LYS 21 -12.579 2.703 -0.789 149 H ASN 22 H ASN 22 -9.006 0.038 -2.548 150 HA ASN 22 HA ASN 22 -6.454 1.565 -2.614 151 HB2 ASN 22 1HB ASN 22 -7.261 2.551 -4.668 152 HB3 ASN 22 2HB ASN 22 -7.316 0.799 -4.777 153 HD21 ASN 22 1HD2 ASN 22 -9.372 -0.230 -5.042 154 HD22 ASN 22 2HD2 ASN 22 -10.832 0.712 -5.283 155 H GLY 23 H GLY 23 -6.382 3.807 -2.279 156 HA2 GLY 23 1HA GLY 23 -8.339 5.647 -1.626 157 HA3 GLY 23 2HA GLY 23 -8.106 4.731 -0.133 158 H SER 24 H SER 24 -7.362 6.768 0.808 159 HA SER 24 HA SER 24 -4.872 7.981 -0.092 160 HB2 SER 24 1HB SER 24 -5.074 9.333 1.935 161 HB3 SER 24 2HB SER 24 -6.588 9.300 1.014 162 HG SER 24 HG SER 24 -7.029 8.965 3.207 163 H ASP 25 H ASP 25 -5.646 5.365 2.138 164 HA ASP 25 HA ASP 25 -3.385 5.543 3.823 165 HB2 ASP 25 1HB ASP 25 -4.961 3.069 3.032 166 HB3 ASP 25 2HB ASP 25 -3.889 3.208 4.427 167 H LEU 26 H LEU 26 -3.700 3.707 0.770 168 HA LEU 26 HA LEU 26 -1.004 2.669 0.809 169 HB2 LEU 26 1HB LEU 26 -2.740 1.652 -0.560 170 HB3 LEU 26 2HB LEU 26 -2.992 3.162 -1.443 171 HG LEU 26 HG LEU 26 -0.727 3.010 -2.410 172 HD11 LEU 26 1HD1 LEU 26 0.480 1.772 -0.665 173 HD12 LEU 26 2HD1 LEU 26 0.578 0.906 -2.195 174 HD13 LEU 26 3HD1 LEU 26 -0.553 0.357 -0.935 175 HD21 LEU 26 3HD2 LEU 26 -1.126 1.073 -3.872 176 HD22 LEU 26 1HD2 LEU 26 -2.596 2.030 -3.626 177 HD23 LEU 26 2HD2 LEU 26 -2.392 0.492 -2.763 178 H GLN 27 H GLN 27 -2.440 5.713 -0.405 179 HA GLN 27 HA GLN 27 -0.090 6.582 -1.831 180 HB2 GLN 27 1HB GLN 27 -2.466 8.134 -0.730 181 HB3 GLN 27 2HB GLN 27 -1.179 8.834 -1.717 182 HG2 GLN 27 1HG GLN 27 -1.672 7.338 -3.566 183 HG3 GLN 27 2HG GLN 27 -2.885 6.476 -2.622 184 HE21 GLN 27 1HE2 GLN 27 -4.981 7.309 -2.474 185 HE22 GLN 27 2HE2 GLN 27 -5.457 8.812 -3.276 186 H ARG 28 H ARG 28 -1.233 7.276 1.513 187 HA ARG 28 HA ARG 28 1.092 8.793 2.320 188 HB2 ARG 28 1HB ARG 28 -0.663 6.992 4.048 189 HB3 ARG 28 2HB ARG 28 0.497 8.197 4.623 190 HG2 ARG 28 1HG ARG 28 -0.863 9.909 3.246 191 HG3 ARG 28 2HG ARG 28 -2.107 8.669 3.163 192 HD2 ARG 28 1HD ARG 28 -1.003 10.045 5.629 193 HD3 ARG 28 2HD ARG 28 -2.648 10.134 5.010 194 HE ARG 28 HE ARG 28 -1.495 8.099 6.736 195 HH11 ARG 28 2HH1 ARG 28 -4.158 8.515 4.438 196 HH12 ARG 28 1HH1 ARG 28 -4.925 7.048 5.042 197 HH21 ARG 28 2HH2 ARG 28 -2.658 6.288 7.390 198 HH22 ARG 28 1HH2 ARG 28 -4.150 5.913 6.528 199 H HIS 29 H HIS 29 0.456 5.304 2.466 200 HA HIS 29 HA HIS 29 2.927 4.539 3.670 201 HB2 HIS 29 1HB HIS 29 1.010 3.043 3.479 202 HB3 HIS 29 2HB HIS 29 1.148 3.022 1.722 203 HD1 HIS 29 1HD HIS 29 2.820 1.534 4.825 204 HD2 HIS 29 2HD HIS 29 3.099 1.540 0.630 205 HE1 HIS 29 1HE HIS 29 4.431 -0.339 4.239 206 H ILE 30 H ILE 30 2.185 5.087 0.204 207 HA ILE 30 HA ILE 30 4.857 4.395 -0.703 208 HB ILE 30 HB ILE 30 2.480 5.802 -1.958 209 HG12 ILE 30 1HG1 ILE 30 3.845 3.149 -2.624 210 HG13 ILE 30 2HG1 ILE 30 2.484 3.278 -1.512 211 HG21 ILE 30 1HG2 ILE 30 4.410 6.839 -2.985 212 HG22 ILE 30 2HG2 ILE 30 5.212 5.264 -3.164 213 HG23 ILE 30 3HG2 ILE 30 3.778 5.668 -4.135 214 HD11 ILE 30 3HD1 ILE 30 2.452 3.953 -4.471 215 HD12 ILE 30 1HD1 ILE 30 1.584 2.660 -3.635 216 HD13 ILE 30 2HD1 ILE 30 1.143 4.364 -3.332 217 H TRP 31 H TRP 31 3.221 7.557 -0.260 218 HA TRP 31 HA TRP 31 5.397 9.244 -0.799 219 HB2 TRP 31 1HB TRP 31 3.130 9.499 1.194 220 HB3 TRP 31 2HB TRP 31 4.244 10.806 0.844 221 HD1 TRP 31 1HD TRP 31 4.357 10.221 -2.361 222 HE1 TRP 31 1HE TRP 31 2.427 10.951 -3.817 223 HE3 TRP 31 3HE TRP 31 0.782 10.783 1.277 224 HZ2 TRP 31 2HZ TRP 31 -0.362 11.712 -3.483 225 HZ3 TRP 31 3HZ TRP 31 -1.510 11.520 0.668 226 HH2 TRP 31 2HH TRP 31 -2.094 11.986 -1.703 227 H ALA 32 H ALA 32 4.828 7.328 2.113 228 HA ALA 32 HA ALA 32 6.918 8.485 3.725 229 HB1 ALA 32 1HB ALA 32 6.575 6.465 5.115 230 HB2 ALA 32 2HB ALA 32 5.029 7.206 4.657 231 HB3 ALA 32 3HB ALA 32 5.595 5.740 3.825 232 H HIS 33 H HIS 33 6.936 5.750 1.376 233 HA HIS 33 HA HIS 33 9.720 5.033 1.843 234 HB2 HIS 33 1HB HIS 33 7.879 4.551 -0.535 235 HB3 HIS 33 2HB HIS 33 9.507 3.915 -0.375 236 HD1 HIS 33 1HD HIS 33 9.807 2.358 2.061 237 HD2 HIS 33 2HD HIS 33 6.113 2.784 0.110 238 HE1 HIS 33 1HE HIS 33 8.431 0.338 2.742 239 H GLU 34 H GLU 34 8.058 7.351 -0.292 240 HA GLU 34 HA GLU 34 10.506 8.322 -1.540 241 HB2 GLU 34 1HB GLU 34 7.729 9.552 -1.352 242 HB3 GLU 34 2HB GLU 34 9.066 10.194 -2.310 243 HG2 GLU 34 1HG GLU 34 9.185 8.002 -3.535 244 HG3 GLU 34 2HG GLU 34 7.707 7.502 -2.706 245 H GLY 35 H GLY 35 9.679 8.528 1.655 246 HA2 GLY 35 1HA GLY 35 10.799 9.599 3.345 247 HA3 GLY 35 2HA GLY 35 11.677 10.571 2.163 248 H VAL 36 H VAL 36 8.240 10.777 1.835 249 HA VAL 36 HA VAL 36 8.243 13.581 2.704 250 HB VAL 36 HB VAL 36 5.957 11.901 1.630 251 HG11 VAL 36 1HG1 VAL 36 4.972 14.089 1.010 252 HG12 VAL 36 2HG1 VAL 36 5.148 13.922 2.754 253 HG13 VAL 36 3HG1 VAL 36 6.306 14.920 1.840 254 HG21 VAL 36 3HG2 VAL 36 7.745 11.983 -0.049 255 HG22 VAL 36 1HG2 VAL 36 6.406 13.020 -0.541 256 HG23 VAL 36 2HG2 VAL 36 7.877 13.746 0.149 257 H LYS 37 H LYS 37 7.301 14.417 4.480 258 HA LYS 37 HA LYS 37 5.764 12.734 6.396 259 HB2 LYS 37 1HB LYS 37 8.186 14.460 7.069 260 HB3 LYS 37 2HB LYS 37 7.093 13.771 8.260 261 HG2 LYS 37 1HG LYS 37 8.823 12.141 6.342 262 HG3 LYS 37 2HG LYS 37 9.217 12.519 8.017 263 HD2 LYS 37 1HD LYS 37 7.204 11.303 8.795 264 HD3 LYS 37 2HD LYS 37 6.805 10.880 7.117 265 HE2 LYS 37 1HE LYS 37 8.959 9.698 6.881 266 HE3 LYS 37 2HE LYS 37 9.400 10.140 8.536 267 HZ1 LYS 37 3HZ LYS 37 7.080 8.433 7.801 268 HZ2 LYS 37 1HZ LYS 37 7.504 8.837 9.327 269 HZ3 LYS 37 2HZ LYS 37 8.486 7.892 8.433 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 7.051 -20.228 -8.425 2 H2 GLY 1 2H GLY 1 7.192 -19.049 -7.299 3 H3 GLY 1 3H GLY 1 8.336 -20.216 -7.408 4 HA2 GLY 1 1HA GLY 1 9.162 -18.162 -8.354 5 HA3 GLY 1 2HA GLY 1 9.026 -19.439 -9.578 6 H SER 2 H SER 2 8.297 -18.577 -11.459 7 HA SER 2 HA SER 2 6.783 -16.165 -11.719 8 HB2 SER 2 1HB SER 2 6.561 -16.882 -14.091 9 HB3 SER 2 2HB SER 2 8.223 -16.945 -13.482 10 HG SER 2 HG SER 2 7.645 -18.841 -14.663 11 H SER 3 H SER 3 5.720 -19.337 -10.944 12 HA SER 3 HA SER 3 2.961 -19.236 -11.720 13 HB2 SER 3 1HB SER 3 2.800 -21.017 -9.925 14 HB3 SER 3 2HB SER 3 4.003 -21.323 -11.188 15 HG SER 3 HG SER 3 4.794 -21.700 -9.035 16 H GLY 4 H GLY 4 4.660 -17.483 -9.236 17 HA2 GLY 4 1HA GLY 4 2.575 -17.239 -7.277 18 HA3 GLY 4 2HA GLY 4 3.974 -16.186 -7.455 19 H SER 5 H SER 5 1.303 -15.412 -6.737 20 HA SER 5 HA SER 5 0.804 -13.289 -8.724 21 HB2 SER 5 1HB SER 5 -0.618 -15.149 -9.494 22 HB3 SER 5 2HB SER 5 -1.354 -15.268 -7.885 23 HG SER 5 HG SER 5 -2.541 -14.001 -9.492 24 H SER 6 H SER 6 -0.339 -11.523 -7.911 25 HA SER 6 HA SER 6 -0.439 -11.127 -4.999 26 HB2 SER 6 1HB SER 6 -1.196 -8.843 -5.669 27 HB3 SER 6 2HB SER 6 0.371 -9.311 -6.347 28 HG SER 6 HG SER 6 -1.058 -8.338 -7.903 29 H GLY 7 H GLY 7 -2.597 -12.364 -7.370 30 HA2 GLY 7 1HA GLY 7 -4.808 -13.020 -7.261 31 HA3 GLY 7 2HA GLY 7 -4.685 -12.867 -5.509 32 H ARG 8 H ARG 8 -6.274 -11.638 -4.751 33 HA ARG 8 HA ARG 8 -7.515 -9.461 -6.326 34 HB2 ARG 8 1HB ARG 8 -8.195 -10.626 -3.597 35 HB3 ARG 8 2HB ARG 8 -9.133 -9.384 -4.437 36 HG2 ARG 8 1HG ARG 8 -9.533 -10.935 -6.328 37 HG3 ARG 8 2HG ARG 8 -8.669 -12.217 -5.470 38 HD2 ARG 8 1HD ARG 8 -11.172 -10.795 -4.463 39 HD3 ARG 8 2HD ARG 8 -11.165 -12.360 -5.262 40 HE ARG 8 HE ARG 8 -10.397 -11.763 -2.497 41 HH11 ARG 8 2HH1 ARG 8 -10.142 -14.209 -4.999 42 HH12 ARG 8 1HH1 ARG 8 -9.799 -15.471 -3.848 43 HH21 ARG 8 2HH2 ARG 8 -9.949 -13.419 -1.096 44 HH22 ARG 8 1HH2 ARG 8 -9.696 -15.029 -1.701 45 H ALA 9 H ALA 9 -4.854 -9.528 -4.368 46 HA ALA 9 HA ALA 9 -5.351 -6.865 -3.132 47 HB1 ALA 9 1HB ALA 9 -3.284 -9.005 -2.526 48 HB2 ALA 9 2HB ALA 9 -3.588 -7.521 -1.586 49 HB3 ALA 9 3HB ALA 9 -4.833 -8.785 -1.681 50 H MET 10 H MET 10 -3.304 -5.577 -2.814 51 HA MET 10 HA MET 10 -1.852 -5.202 -5.410 52 HB2 MET 10 1HB MET 10 -3.684 -3.572 -4.539 53 HB3 MET 10 2HB MET 10 -2.529 -3.104 -3.308 54 HG2 MET 10 1HG MET 10 -2.264 -2.843 -6.324 55 HG3 MET 10 2HG MET 10 -2.589 -1.555 -5.172 56 HE1 MET 10 3HE MET 10 0.843 -1.146 -3.351 57 HE2 MET 10 1HE MET 10 -0.915 -1.200 -3.095 58 HE3 MET 10 2HE MET 10 0.057 -2.669 -2.930 59 H LYS 11 H LYS 11 0.419 -5.193 -5.284 60 HA LYS 11 HA LYS 11 1.684 -5.407 -2.580 61 HB2 LYS 11 1HB LYS 11 2.111 -7.196 -4.354 62 HB3 LYS 11 2HB LYS 11 3.005 -5.970 -5.258 63 HG2 LYS 11 1HG LYS 11 4.455 -5.607 -3.222 64 HG3 LYS 11 2HG LYS 11 3.568 -6.902 -2.406 65 HD2 LYS 11 1HD LYS 11 4.351 -8.494 -4.191 66 HD3 LYS 11 2HD LYS 11 5.288 -7.164 -4.918 67 HE2 LYS 11 1HE LYS 11 6.477 -6.834 -2.763 68 HE3 LYS 11 2HE LYS 11 5.540 -8.150 -2.040 69 HZ1 LYS 11 3HZ LYS 11 6.600 -9.681 -3.600 70 HZ2 LYS 11 1HZ LYS 11 7.719 -8.881 -2.702 71 HZ3 LYS 11 2HZ LYS 11 7.473 -8.464 -4.271 72 H CYS 12 H CYS 12 2.871 -3.785 -1.756 73 HA CYS 12 HA CYS 12 2.910 -1.198 -2.781 74 HB2 CYS 12 1HB CYS 12 3.212 -1.704 -0.459 75 HB3 CYS 12 2HB CYS 12 4.635 -2.697 -0.789 76 HA PRO 13 HA PRO 13 6.087 -1.378 -5.857 77 HB2 PRO 13 1HB PRO 13 6.515 1.316 -6.325 78 HB3 PRO 13 2HB PRO 13 5.123 0.364 -6.909 79 HG2 PRO 13 1HG PRO 13 5.252 2.236 -4.561 80 HG3 PRO 13 2HG PRO 13 3.907 1.952 -5.703 81 HD2 PRO 13 1HD PRO 13 4.027 0.875 -3.186 82 HD3 PRO 13 2HD PRO 13 3.134 0.145 -4.552 83 H TYR 14 H TYR 14 6.780 -0.474 -2.691 84 HA TYR 14 HA TYR 14 9.733 -0.308 -3.251 85 HB2 TYR 14 1HB TYR 14 8.092 1.067 -1.123 86 HB3 TYR 14 2HB TYR 14 9.846 1.048 -1.149 87 HD1 TYR 14 1HD TYR 14 6.821 2.253 -2.916 88 HD2 TYR 14 2HD TYR 14 11.106 2.528 -2.566 89 HE1 TYR 14 1HE TYR 14 6.828 4.229 -4.462 90 HE2 TYR 14 2HE TYR 14 11.099 4.545 -4.038 91 HH TYR 14 HH TYR 14 8.096 5.801 -5.532 92 H CYS 15 H CYS 15 7.242 -1.868 -1.273 93 HA CYS 15 HA CYS 15 9.340 -3.633 -0.139 94 HB2 CYS 15 1HB CYS 15 8.634 -3.404 2.108 95 HB3 CYS 15 2HB CYS 15 8.982 -1.802 1.479 96 H ASP 16 H ASP 16 8.196 -5.373 1.323 97 HA ASP 16 HA ASP 16 6.620 -6.891 -0.612 98 HB2 ASP 16 1HB ASP 16 8.001 -7.647 1.970 99 HB3 ASP 16 2HB ASP 16 7.038 -8.783 1.029 100 H PHE 17 H PHE 17 5.521 -4.773 1.638 101 HA PHE 17 HA PHE 17 3.370 -6.411 2.763 102 HB2 PHE 17 1HB PHE 17 4.042 -3.471 2.971 103 HB3 PHE 17 2HB PHE 17 2.598 -4.178 3.674 104 HD1 PHE 17 1HD PHE 17 2.689 -5.713 5.578 105 HD2 PHE 17 2HD PHE 17 6.295 -4.033 3.915 106 HE1 PHE 17 1HE PHE 17 3.957 -6.436 7.588 107 HE2 PHE 17 2HE PHE 17 7.559 -4.755 5.925 108 HZ PHE 17 HZ PHE 17 6.392 -5.959 7.765 109 H TYR 18 H TYR 18 1.245 -6.378 2.354 110 HA TYR 18 HA TYR 18 0.392 -5.400 -0.290 111 HB2 TYR 18 1HB TYR 18 -0.619 -7.569 1.556 112 HB3 TYR 18 2HB TYR 18 -1.556 -7.001 0.182 113 HD1 TYR 18 1HD TYR 18 1.671 -8.613 1.139 114 HD2 TYR 18 2HD TYR 18 -0.979 -7.503 -2.078 115 HE1 TYR 18 1HE TYR 18 3.062 -9.895 -0.449 116 HE2 TYR 18 2HE TYR 18 0.419 -8.755 -3.676 117 HH TYR 18 HH TYR 18 2.246 -10.161 -3.944 118 H PHE 19 H PHE 19 -1.522 -4.475 -0.738 119 HA PHE 19 HA PHE 19 -3.140 -3.217 1.429 120 HB2 PHE 19 1HB PHE 19 -1.928 -1.911 -1.024 121 HB3 PHE 19 2HB PHE 19 -3.383 -1.276 -0.278 122 HD1 PHE 19 1HD PHE 19 0.219 -2.046 0.401 123 HD2 PHE 19 2HD PHE 19 -3.335 0.018 1.720 124 HE1 PHE 19 1HE PHE 19 1.529 -0.915 2.178 125 HE2 PHE 19 2HE PHE 19 -2.009 1.170 3.475 126 HZ PHE 19 HZ PHE 19 0.412 0.680 3.727 127 H MET 20 H MET 20 -5.288 -2.591 0.732 128 HA MET 20 HA MET 20 -6.470 -4.059 -1.540 129 HB2 MET 20 1HB MET 20 -6.373 -5.218 1.040 130 HB3 MET 20 2HB MET 20 -7.982 -4.522 0.956 131 HG2 MET 20 1HG MET 20 -6.739 -6.482 -1.015 132 HG3 MET 20 2HG MET 20 -7.916 -6.855 0.239 133 HE1 MET 20 3HE MET 20 -9.841 -7.942 -1.006 134 HE2 MET 20 1HE MET 20 -10.249 -7.531 -2.688 135 HE3 MET 20 2HE MET 20 -8.609 -8.093 -2.281 136 H LYS 21 H LYS 21 -8.703 -3.474 -1.895 137 HA LYS 21 HA LYS 21 -10.290 -1.905 -2.376 138 HB2 LYS 21 1HB LYS 21 -10.251 -1.567 0.639 139 HB3 LYS 21 2HB LYS 21 -11.577 -1.134 -0.439 140 HG2 LYS 21 1HG LYS 21 -10.531 -3.958 0.059 141 HG3 LYS 21 2HG LYS 21 -11.984 -3.240 0.742 142 HD2 LYS 21 1HD LYS 21 -12.947 -2.996 -1.544 143 HD3 LYS 21 2HD LYS 21 -11.508 -3.795 -2.220 144 HE2 LYS 21 1HE LYS 21 -11.960 -5.803 -0.855 145 HE3 LYS 21 2HE LYS 21 -13.379 -5.019 -0.150 146 HZ1 LYS 21 3HZ LYS 21 -14.366 -4.936 -2.375 147 HZ2 LYS 21 1HZ LYS 21 -14.001 -6.477 -1.988 148 HZ3 LYS 21 2HZ LYS 21 -13.056 -5.656 -3.036 149 H ASN 22 H ASN 22 -9.871 0.411 0.094 150 HA ASN 22 HA ASN 22 -9.628 2.430 -1.955 151 HB2 ASN 22 1HB ASN 22 -11.073 2.560 0.081 152 HB3 ASN 22 2HB ASN 22 -9.625 2.740 1.075 153 HD21 ASN 22 1HD2 ASN 22 -11.485 4.681 1.304 154 HD22 ASN 22 2HD2 ASN 22 -10.963 6.129 0.455 155 H GLY 23 H GLY 23 -7.912 3.474 -2.708 156 HA2 GLY 23 1HA GLY 23 -5.199 2.829 -1.904 157 HA3 GLY 23 2HA GLY 23 -5.702 3.942 -3.175 158 H SER 24 H SER 24 -7.290 4.991 -0.396 159 HA SER 24 HA SER 24 -5.771 7.366 -0.094 160 HB2 SER 24 1HB SER 24 -7.136 7.708 1.939 161 HB3 SER 24 2HB SER 24 -8.102 7.229 0.534 162 HG SER 24 HG SER 24 -8.663 6.074 2.465 163 H ASP 25 H ASP 25 -5.600 4.335 1.787 164 HA ASP 25 HA ASP 25 -3.496 5.365 3.565 165 HB2 ASP 25 1HB ASP 25 -4.611 2.571 3.161 166 HB3 ASP 25 2HB ASP 25 -3.451 3.034 4.407 167 H LEU 26 H LEU 26 -3.581 3.401 0.621 168 HA LEU 26 HA LEU 26 -0.858 2.551 0.645 169 HB2 LEU 26 1HB LEU 26 -2.553 1.540 -0.802 170 HB3 LEU 26 2HB LEU 26 -2.804 3.077 -1.637 171 HG LEU 26 HG LEU 26 -0.491 2.998 -2.522 172 HD11 LEU 26 1HD1 LEU 26 -0.389 0.234 -1.251 173 HD12 LEU 26 2HD1 LEU 26 0.608 1.625 -0.782 174 HD13 LEU 26 3HD1 LEU 26 0.813 0.908 -2.374 175 HD21 LEU 26 3HD2 LEU 26 -0.866 1.139 -4.106 176 HD22 LEU 26 1HD2 LEU 26 -2.296 2.158 -3.877 177 HD23 LEU 26 2HD2 LEU 26 -2.217 0.571 -3.089 178 H GLN 27 H GLN 27 -2.383 5.513 -0.708 179 HA GLN 27 HA GLN 27 -0.061 6.587 -1.947 180 HB2 GLN 27 1HB GLN 27 -2.554 7.845 -0.755 181 HB3 GLN 27 2HB GLN 27 -1.284 8.823 -1.505 182 HG2 GLN 27 1HG GLN 27 -1.521 7.760 -3.623 183 HG3 GLN 27 2HG GLN 27 -2.548 6.483 -2.971 184 HE21 GLN 27 1HE2 GLN 27 -4.708 7.055 -2.213 185 HE22 GLN 27 2HE2 GLN 27 -5.528 8.451 -2.933 186 H ARG 28 H ARG 28 -1.224 7.088 1.413 187 HA ARG 28 HA ARG 28 1.011 8.739 2.224 188 HB2 ARG 28 1HB ARG 28 -0.703 6.959 4.006 189 HB3 ARG 28 2HB ARG 28 0.329 8.307 4.508 190 HG2 ARG 28 1HG ARG 28 -1.120 9.767 2.931 191 HG3 ARG 28 2HG ARG 28 -2.247 8.415 2.918 192 HD2 ARG 28 1HD ARG 28 -1.372 10.118 5.273 193 HD3 ARG 28 2HD ARG 28 -2.993 9.987 4.597 194 HE ARG 28 HE ARG 28 -1.749 8.273 6.577 195 HH11 ARG 28 2HH1 ARG 28 -4.207 8.062 4.033 196 HH12 ARG 28 1HH1 ARG 28 -4.924 6.670 4.843 197 HH21 ARG 28 2HH2 ARG 28 -2.816 6.469 7.415 198 HH22 ARG 28 1HH2 ARG 28 -4.193 5.842 6.508 199 H HIS 29 H HIS 29 0.512 5.232 2.406 200 HA HIS 29 HA HIS 29 2.982 4.584 3.689 201 HB2 HIS 29 1HB HIS 29 1.110 3.033 3.496 202 HB3 HIS 29 2HB HIS 29 1.266 2.995 1.742 203 HD1 HIS 29 1HD HIS 29 3.039 1.669 4.880 204 HD2 HIS 29 2HD HIS 29 3.155 1.461 0.682 205 HE1 HIS 29 1HE HIS 29 4.629 -0.229 4.329 206 H ILE 30 H ILE 30 2.270 5.042 0.197 207 HA ILE 30 HA ILE 30 4.977 4.407 -0.647 208 HB ILE 30 HB ILE 30 2.610 5.770 -1.981 209 HG12 ILE 30 1HG1 ILE 30 4.004 3.112 -2.567 210 HG13 ILE 30 2HG1 ILE 30 2.595 3.256 -1.520 211 HG21 ILE 30 1HG2 ILE 30 5.371 5.215 -3.115 212 HG22 ILE 30 2HG2 ILE 30 3.962 5.629 -4.117 213 HG23 ILE 30 3HG2 ILE 30 4.575 6.801 -2.960 214 HD11 ILE 30 3HD1 ILE 30 2.695 3.896 -4.487 215 HD12 ILE 30 1HD1 ILE 30 1.791 2.616 -3.680 216 HD13 ILE 30 2HD1 ILE 30 1.339 4.324 -3.415 217 H TRP 31 H TRP 31 3.255 7.530 -0.258 218 HA TRP 31 HA TRP 31 5.412 9.267 -0.731 219 HB2 TRP 31 1HB TRP 31 3.074 9.443 1.177 220 HB3 TRP 31 2HB TRP 31 4.176 10.782 0.914 221 HD1 TRP 31 1HD TRP 31 4.405 10.225 -2.319 222 HE1 TRP 31 1HE TRP 31 2.517 10.963 -3.822 223 HE3 TRP 31 3HE TRP 31 0.733 10.763 1.223 224 HZ2 TRP 31 2HZ TRP 31 -0.282 11.714 -3.561 225 HZ3 TRP 31 3HZ TRP 31 -1.542 11.509 0.557 226 HH2 TRP 31 2HH TRP 31 -2.062 11.981 -1.827 227 H ALA 32 H ALA 32 4.833 7.291 2.143 228 HA ALA 32 HA ALA 32 6.875 8.516 3.779 229 HB1 ALA 32 1HB ALA 32 5.607 5.745 3.910 230 HB2 ALA 32 2HB ALA 32 6.548 6.520 5.200 231 HB3 ALA 32 3HB ALA 32 4.990 7.212 4.704 232 H HIS 33 H HIS 33 6.940 5.714 1.504 233 HA HIS 33 HA HIS 33 9.733 5.058 1.957 234 HB2 HIS 33 1HB HIS 33 7.894 4.553 -0.418 235 HB3 HIS 33 2HB HIS 33 9.534 3.953 -0.279 236 HD1 HIS 33 1HD HIS 33 9.888 2.379 2.142 237 HD2 HIS 33 2HD HIS 33 6.176 2.737 0.213 238 HE1 HIS 33 1HE HIS 33 8.572 0.313 2.794 239 H GLU 34 H GLU 34 8.051 7.304 -0.257 240 HA GLU 34 HA GLU 34 10.480 8.282 -1.518 241 HB2 GLU 34 1HB GLU 34 7.672 9.440 -1.341 242 HB3 GLU 34 2HB GLU 34 8.984 10.139 -2.293 243 HG2 GLU 34 1HG GLU 34 9.201 7.951 -3.515 244 HG3 GLU 34 2HG GLU 34 7.735 7.396 -2.701 245 H GLY 35 H GLY 35 9.520 8.688 1.679 246 HA2 GLY 35 1HA GLY 35 10.486 9.910 3.356 247 HA3 GLY 35 2HA GLY 35 11.583 10.637 2.181 248 H VAL 36 H VAL 36 8.111 10.975 1.724 249 HA VAL 36 HA VAL 36 8.245 13.866 1.744 250 HB VAL 36 HB VAL 36 5.828 12.028 1.688 251 HG11 VAL 36 1HG1 VAL 36 4.677 13.936 0.598 252 HG12 VAL 36 2HG1 VAL 36 5.140 14.305 2.255 253 HG13 VAL 36 3HG1 VAL 36 6.096 14.960 0.904 254 HG21 VAL 36 3HG2 VAL 36 7.336 11.592 -0.226 255 HG22 VAL 36 1HG2 VAL 36 5.857 12.389 -0.757 256 HG23 VAL 36 2HG2 VAL 36 7.363 13.325 -0.609 257 H LYS 37 H LYS 37 7.620 15.323 3.252 258 HA LYS 37 HA LYS 37 7.410 14.461 6.053 259 HB2 LYS 37 1HB LYS 37 7.539 17.224 4.787 260 HB3 LYS 37 2HB LYS 37 7.528 16.895 6.524 261 HG2 LYS 37 1HG LYS 37 9.611 15.528 6.265 262 HG3 LYS 37 2HG LYS 37 9.684 15.986 4.560 263 HD2 LYS 37 1HD LYS 37 9.787 17.916 6.919 264 HD3 LYS 37 2HD LYS 37 11.179 17.342 5.992 265 HE2 LYS 37 1HE LYS 37 10.221 18.356 3.926 266 HE3 LYS 37 2HE LYS 37 8.854 18.968 4.868 267 HZ1 LYS 37 3HZ LYS 37 11.693 19.723 5.308 268 HZ2 LYS 37 1HZ LYS 37 10.430 20.284 6.180 269 HZ3 LYS 37 2HZ LYS 37 10.564 20.664 4.599 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 -12.737 -19.251 6.097 2 H2 GLY 1 2H GLY 1 -11.229 -18.641 6.295 3 H3 GLY 1 3H GLY 1 -11.526 -19.715 5.097 4 HA2 GLY 1 1HA GLY 1 -12.970 -18.162 3.965 5 HA3 GLY 1 2HA GLY 1 -12.670 -17.001 5.270 6 H SER 2 H SER 2 -12.159 -16.586 2.464 7 HA SER 2 HA SER 2 -9.267 -16.729 2.007 8 HB2 SER 2 1HB SER 2 -9.813 -15.641 -0.120 9 HB3 SER 2 2HB SER 2 -10.835 -17.057 0.163 10 HG SER 2 HG SER 2 -11.982 -15.158 -0.582 11 H SER 3 H SER 3 -8.094 -14.739 1.270 12 HA SER 3 HA SER 3 -8.259 -12.606 3.276 13 HB2 SER 3 1HB SER 3 -6.429 -12.961 0.873 14 HB3 SER 3 2HB SER 3 -6.278 -11.696 2.103 15 HG SER 3 HG SER 3 -6.127 -14.516 2.553 16 H GLY 4 H GLY 4 -9.827 -13.044 0.292 17 HA2 GLY 4 1HA GLY 4 -11.229 -10.611 0.345 18 HA3 GLY 4 2HA GLY 4 -9.909 -10.407 -0.814 19 H SER 5 H SER 5 -12.709 -10.373 -1.471 20 HA SER 5 HA SER 5 -13.725 -12.881 -2.344 21 HB2 SER 5 1HB SER 5 -15.385 -11.498 -3.574 22 HB3 SER 5 2HB SER 5 -15.182 -11.029 -1.878 23 HG SER 5 HG SER 5 -15.205 -9.214 -3.309 24 H SER 6 H SER 6 -11.509 -10.713 -3.973 25 HA SER 6 HA SER 6 -11.753 -11.983 -6.610 26 HB2 SER 6 1HB SER 6 -9.880 -10.489 -7.173 27 HB3 SER 6 2HB SER 6 -11.197 -9.601 -6.380 28 HG SER 6 HG SER 6 -9.168 -9.053 -5.474 29 H GLY 7 H GLY 7 -10.161 -12.835 -3.690 30 HA2 GLY 7 1HA GLY 7 -8.524 -14.353 -3.158 31 HA3 GLY 7 2HA GLY 7 -8.485 -14.895 -4.838 32 H ARG 8 H ARG 8 -7.970 -11.501 -4.517 33 HA ARG 8 HA ARG 8 -4.987 -11.753 -4.696 34 HB2 ARG 8 1HB ARG 8 -6.859 -10.258 -6.584 35 HB3 ARG 8 2HB ARG 8 -5.100 -10.101 -6.583 36 HG2 ARG 8 1HG ARG 8 -4.873 -12.528 -7.069 37 HG3 ARG 8 2HG ARG 8 -6.633 -12.675 -7.164 38 HD2 ARG 8 1HD ARG 8 -4.920 -10.873 -8.928 39 HD3 ARG 8 2HD ARG 8 -5.507 -12.462 -9.396 40 HE ARG 8 HE ARG 8 -7.034 -9.960 -9.263 41 HH11 ARG 8 2HH1 ARG 8 -7.398 -13.444 -9.418 42 HH12 ARG 8 1HH1 ARG 8 -9.014 -13.334 -10.057 43 HH21 ARG 8 2HH2 ARG 8 -9.091 -9.900 -10.091 44 HH22 ARG 8 1HH2 ARG 8 -9.931 -11.380 -10.446 45 H ALA 9 H ALA 9 -3.847 -9.737 -4.511 46 HA ALA 9 HA ALA 9 -5.170 -7.414 -3.308 47 HB1 ALA 9 1HB ALA 9 -3.666 -7.391 -1.335 48 HB2 ALA 9 2HB ALA 9 -4.720 -8.816 -1.326 49 HB3 ALA 9 3HB ALA 9 -3.017 -8.978 -1.808 50 H MET 10 H MET 10 -3.686 -5.595 -3.058 51 HA MET 10 HA MET 10 -1.937 -5.315 -5.410 52 HB2 MET 10 1HB MET 10 -3.802 -3.717 -4.465 53 HB3 MET 10 2HB MET 10 -2.592 -3.221 -3.302 54 HG2 MET 10 1HG MET 10 -2.477 -3.017 -6.326 55 HG3 MET 10 2HG MET 10 -2.754 -1.706 -5.182 56 HE1 MET 10 3HE MET 10 0.725 -1.210 -3.530 57 HE2 MET 10 1HE MET 10 -1.027 -1.248 -3.229 58 HE3 MET 10 2HE MET 10 -0.057 -2.714 -3.025 59 H LYS 11 H LYS 11 0.320 -5.351 -5.277 60 HA LYS 11 HA LYS 11 1.609 -5.501 -2.586 61 HB2 LYS 11 1HB LYS 11 2.072 -7.271 -4.368 62 HB3 LYS 11 2HB LYS 11 2.913 -6.015 -5.285 63 HG2 LYS 11 1HG LYS 11 4.390 -5.613 -3.280 64 HG3 LYS 11 2HG LYS 11 3.550 -6.925 -2.441 65 HD2 LYS 11 1HD LYS 11 4.333 -8.501 -4.250 66 HD3 LYS 11 2HD LYS 11 5.246 -7.152 -4.973 67 HE2 LYS 11 1HE LYS 11 6.440 -6.819 -2.822 68 HE3 LYS 11 2HE LYS 11 5.521 -8.145 -2.101 69 HZ1 LYS 11 3HZ LYS 11 6.591 -9.659 -3.672 70 HZ2 LYS 11 1HZ LYS 11 7.693 -8.860 -2.755 71 HZ3 LYS 11 2HZ LYS 11 7.462 -8.430 -4.325 72 H CYS 12 H CYS 12 2.717 -3.823 -1.759 73 HA CYS 12 HA CYS 12 2.719 -1.245 -2.776 74 HB2 CYS 12 1HB CYS 12 3.091 -1.750 -0.464 75 HB3 CYS 12 2HB CYS 12 4.514 -2.731 -0.833 76 HA PRO 13 HA PRO 13 5.830 -1.427 -5.925 77 HB2 PRO 13 1HB PRO 13 6.169 1.266 -6.479 78 HB3 PRO 13 2HB PRO 13 4.804 0.248 -7.018 79 HG2 PRO 13 1HG PRO 13 4.890 2.216 -4.757 80 HG3 PRO 13 2HG PRO 13 3.533 1.810 -5.845 81 HD2 PRO 13 1HD PRO 13 3.809 0.874 -3.268 82 HD3 PRO 13 2HD PRO 13 2.859 0.068 -4.552 83 H TYR 14 H TYR 14 6.551 -0.459 -2.806 84 HA TYR 14 HA TYR 14 9.485 -0.186 -3.403 85 HB2 TYR 14 1HB TYR 14 7.812 1.150 -1.277 86 HB3 TYR 14 2HB TYR 14 9.566 1.204 -1.320 87 HD1 TYR 14 1HD TYR 14 6.491 2.172 -3.170 88 HD2 TYR 14 2HD TYR 14 10.711 2.838 -2.639 89 HE1 TYR 14 1HE TYR 14 6.388 4.108 -4.758 90 HE2 TYR 14 2HE TYR 14 10.581 4.843 -4.124 91 HH TYR 14 HH TYR 14 7.541 5.783 -5.783 92 H CYS 15 H CYS 15 7.074 -1.876 -1.450 93 HA CYS 15 HA CYS 15 9.229 -3.570 -0.344 94 HB2 CYS 15 1HB CYS 15 8.610 -3.363 1.918 95 HB3 CYS 15 2HB CYS 15 8.847 -1.740 1.298 96 H ASP 16 H ASP 16 8.019 -5.263 1.237 97 HA ASP 16 HA ASP 16 6.415 -6.840 -0.650 98 HB2 ASP 16 1HB ASP 16 7.786 -7.555 1.954 99 HB3 ASP 16 2HB ASP 16 6.841 -8.693 0.997 100 H PHE 17 H PHE 17 5.382 -4.580 1.466 101 HA PHE 17 HA PHE 17 3.313 -6.113 2.826 102 HB2 PHE 17 1HB PHE 17 4.545 -3.998 3.639 103 HB3 PHE 17 2HB PHE 17 3.411 -3.104 2.635 104 HD1 PHE 17 1HD PHE 17 3.855 -5.205 5.642 105 HD2 PHE 17 2HD PHE 17 0.987 -3.045 3.256 106 HE1 PHE 17 1HE PHE 17 2.205 -5.342 7.494 107 HE2 PHE 17 2HE PHE 17 -0.655 -3.176 5.104 108 HZ PHE 17 HZ PHE 17 -0.052 -4.325 7.232 109 H TYR 18 H TYR 18 1.165 -6.272 2.421 110 HA TYR 18 HA TYR 18 0.217 -5.460 -0.248 111 HB2 TYR 18 1HB TYR 18 -0.641 -7.608 1.690 112 HB3 TYR 18 2HB TYR 18 -1.628 -7.147 0.308 113 HD1 TYR 18 1HD TYR 18 -0.966 -7.569 -1.969 114 HD2 TYR 18 2HD TYR 18 1.640 -8.609 1.304 115 HE1 TYR 18 1HE TYR 18 0.487 -8.798 -3.538 116 HE2 TYR 18 2HE TYR 18 3.104 -9.843 -0.253 117 HH TYR 18 HH TYR 18 2.350 -10.159 -3.760 118 H PHE 19 H PHE 19 -1.702 -4.609 -0.743 119 HA PHE 19 HA PHE 19 -3.382 -3.315 1.359 120 HB2 PHE 19 1HB PHE 19 -2.181 -2.038 -1.131 121 HB3 PHE 19 2HB PHE 19 -3.511 -1.336 -0.228 122 HD1 PHE 19 1HD PHE 19 0.105 -2.230 -0.053 123 HD2 PHE 19 2HD PHE 19 -3.190 -0.208 1.873 124 HE1 PHE 19 1HE PHE 19 1.678 -1.191 1.561 125 HE2 PHE 19 2HE PHE 19 -1.606 0.825 3.481 126 HZ PHE 19 HZ PHE 19 0.812 0.300 3.357 127 H MET 20 H MET 20 -5.547 -2.840 0.701 128 HA MET 20 HA MET 20 -6.490 -3.723 -1.924 129 HB2 MET 20 1HB MET 20 -6.499 -5.813 -0.554 130 HB3 MET 20 2HB MET 20 -7.562 -5.028 0.618 131 HG2 MET 20 1HG MET 20 -8.771 -6.521 -0.908 132 HG3 MET 20 2HG MET 20 -9.335 -4.861 -1.039 133 HE1 MET 20 3HE MET 20 -9.939 -7.299 -3.102 134 HE2 MET 20 1HE MET 20 -10.640 -5.668 -3.242 135 HE3 MET 20 2HE MET 20 -9.842 -6.417 -4.642 136 H LYS 21 H LYS 21 -8.170 -2.572 -2.582 137 HA LYS 21 HA LYS 21 -9.604 -0.885 -2.882 138 HB2 LYS 21 1HB LYS 21 -10.571 -1.743 -0.141 139 HB3 LYS 21 2HB LYS 21 -11.408 -0.572 -1.165 140 HG2 LYS 21 1HG LYS 21 -11.623 -2.241 -2.969 141 HG3 LYS 21 2HG LYS 21 -10.796 -3.447 -1.969 142 HD2 LYS 21 1HD LYS 21 -12.588 -3.272 -0.262 143 HD3 LYS 21 2HD LYS 21 -13.418 -2.058 -1.261 144 HE2 LYS 21 1HE LYS 21 -13.606 -3.724 -3.105 145 HE3 LYS 21 2HE LYS 21 -12.806 -4.932 -2.091 146 HZ1 LYS 21 3HZ LYS 21 -14.665 -4.745 -0.519 147 HZ2 LYS 21 1HZ LYS 21 -15.222 -5.160 -1.997 148 HZ3 LYS 21 2HZ LYS 21 -15.404 -3.632 -1.459 149 H ASN 22 H ASN 22 -8.006 -0.304 0.253 150 HA ASN 22 HA ASN 22 -8.722 2.517 0.201 151 HB2 ASN 22 1HB ASN 22 -8.615 1.128 2.254 152 HB3 ASN 22 2HB ASN 22 -6.859 1.034 2.088 153 HD21 ASN 22 2HD2 ASN 22 -7.945 2.063 4.403 154 HD22 ASN 22 1HD2 ASN 22 -7.691 3.802 4.438 155 H GLY 23 H GLY 23 -7.841 3.071 -1.862 156 HA2 GLY 23 1HA GLY 23 -5.080 3.140 -2.527 157 HA3 GLY 23 2HA GLY 23 -6.335 4.198 -3.179 158 H SER 24 H SER 24 -6.954 5.354 -0.450 159 HA SER 24 HA SER 24 -5.075 7.535 -0.489 160 HB2 SER 24 1HB SER 24 -7.142 6.795 1.616 161 HB3 SER 24 2HB SER 24 -6.316 8.357 1.456 162 HG SER 24 HG SER 24 -8.394 8.361 0.462 163 H ASP 25 H ASP 25 -5.534 4.801 1.822 164 HA ASP 25 HA ASP 25 -3.295 5.601 3.482 165 HB2 ASP 25 1HB ASP 25 -5.247 4.232 4.225 166 HB3 ASP 25 2HB ASP 25 -4.629 2.884 3.259 167 H LEU 26 H LEU 26 -3.616 3.422 0.667 168 HA LEU 26 HA LEU 26 -0.915 2.460 0.642 169 HB2 LEU 26 1HB LEU 26 -2.627 1.439 -0.741 170 HB3 LEU 26 2HB LEU 26 -2.947 2.966 -1.562 171 HG LEU 26 HG LEU 26 -0.670 2.923 -2.564 172 HD11 LEU 26 1HD1 LEU 26 0.508 1.534 -0.879 173 HD12 LEU 26 2HD1 LEU 26 0.661 0.859 -2.498 174 HD13 LEU 26 3HD1 LEU 26 -0.488 0.144 -1.349 175 HD21 LEU 26 3HD2 LEU 26 -2.544 2.066 -3.830 176 HD22 LEU 26 1HD2 LEU 26 -2.395 0.475 -3.059 177 HD23 LEU 26 2HD2 LEU 26 -1.109 1.075 -4.142 178 H GLN 27 H GLN 27 -2.382 5.397 -0.905 179 HA GLN 27 HA GLN 27 0.009 6.378 -2.052 180 HB2 GLN 27 1HB GLN 27 -2.236 7.126 -2.655 181 HB3 GLN 27 2HB GLN 27 -2.464 7.854 -1.058 182 HG2 GLN 27 1HG GLN 27 -0.702 9.480 -1.500 183 HG3 GLN 27 2HG GLN 27 -0.292 8.680 -3.027 184 HE21 GLN 27 1HE2 GLN 27 -3.014 10.391 -1.351 185 HE22 GLN 27 2HE2 GLN 27 -3.718 10.988 -2.846 186 H ARG 28 H ARG 28 -1.363 6.997 1.218 187 HA ARG 28 HA ARG 28 0.745 8.700 2.159 188 HB2 ARG 28 1HB ARG 28 -1.492 8.400 3.217 189 HB3 ARG 28 2HB ARG 28 -1.024 6.773 3.729 190 HG2 ARG 28 1HG ARG 28 0.803 7.727 5.113 191 HG3 ARG 28 2HG ARG 28 0.375 9.358 4.558 192 HD2 ARG 28 1HD ARG 28 -1.890 9.089 5.578 193 HD3 ARG 28 2HD ARG 28 -1.452 7.463 6.100 194 HE ARG 28 HE ARG 28 -0.134 8.313 7.815 195 HH11 ARG 28 2HH1 ARG 28 -1.135 11.038 5.842 196 HH12 ARG 28 1HH1 ARG 28 -0.592 12.199 7.021 197 HH21 ARG 28 1HH2 ARG 28 0.531 9.849 9.263 198 HH22 ARG 28 2HH2 ARG 28 0.325 11.539 8.903 199 H HIS 29 H HIS 29 0.442 5.126 2.311 200 HA HIS 29 HA HIS 29 2.921 4.649 3.656 201 HB2 HIS 29 1HB HIS 29 1.135 3.010 3.535 202 HB3 HIS 29 2HB HIS 29 1.236 2.947 1.781 203 HD1 HIS 29 1HD HIS 29 3.164 1.742 4.876 204 HD2 HIS 29 2HD HIS 29 3.044 1.383 0.690 205 HE1 HIS 29 1HE HIS 29 4.689 -0.206 4.308 206 H ILE 30 H ILE 30 2.212 4.976 0.146 207 HA ILE 30 HA ILE 30 4.930 4.406 -0.668 208 HB ILE 30 HB ILE 30 2.563 5.759 -2.019 209 HG12 ILE 30 1HG1 ILE 30 3.937 3.112 -2.665 210 HG13 ILE 30 2HG1 ILE 30 2.586 3.222 -1.541 211 HG21 ILE 30 1HG2 ILE 30 4.489 6.788 -3.019 212 HG22 ILE 30 2HG2 ILE 30 5.351 5.233 -3.084 213 HG23 ILE 30 3HG2 ILE 30 3.966 5.540 -4.153 214 HD11 ILE 30 3HD1 ILE 30 2.501 3.956 -4.492 215 HD12 ILE 30 1HD1 ILE 30 1.692 2.611 -3.686 216 HD13 ILE 30 2HD1 ILE 30 1.198 4.286 -3.325 217 H TRP 31 H TRP 31 3.179 7.501 -0.243 218 HA TRP 31 HA TRP 31 5.342 9.285 -0.630 219 HB2 TRP 31 1HB TRP 31 2.905 9.332 1.151 220 HB3 TRP 31 2HB TRP 31 4.032 10.672 1.117 221 HD1 TRP 31 1HD TRP 31 4.304 10.055 -2.274 222 HE1 TRP 31 1HE TRP 31 2.623 11.274 -3.707 223 HE3 TRP 31 3HE TRP 31 0.836 11.162 1.342 224 HZ2 TRP 31 2HZ TRP 31 0.074 12.632 -3.362 225 HZ3 TRP 31 3HZ TRP 31 -1.210 12.447 0.750 226 HH2 TRP 31 2HH TRP 31 -1.594 13.192 -1.589 227 H ALA 32 H ALA 32 4.723 7.166 2.132 228 HA ALA 32 HA ALA 32 6.701 8.420 3.837 229 HB1 ALA 32 1HB ALA 32 6.341 6.447 5.270 230 HB2 ALA 32 2HB ALA 32 4.785 7.089 4.702 231 HB3 ALA 32 3HB ALA 32 5.473 5.627 3.959 232 H HIS 33 H HIS 33 6.836 5.629 1.556 233 HA HIS 33 HA HIS 33 9.614 4.973 2.061 234 HB2 HIS 33 1HB HIS 33 7.824 4.547 -0.367 235 HB3 HIS 33 2HB HIS 33 9.474 3.965 -0.244 236 HD1 HIS 33 1HD HIS 33 9.869 2.271 2.051 237 HD2 HIS 33 2HD HIS 33 6.099 2.726 0.258 238 HE1 HIS 33 1HE HIS 33 8.567 0.179 2.646 239 H GLU 34 H GLU 34 8.007 7.223 -0.202 240 HA GLU 34 HA GLU 34 10.469 8.260 -1.331 241 HB2 GLU 34 1HB GLU 34 7.571 9.146 -1.334 242 HB3 GLU 34 2HB GLU 34 8.819 10.109 -2.114 243 HG2 GLU 34 1HG GLU 34 8.396 7.176 -2.800 244 HG3 GLU 34 2HG GLU 34 7.514 8.482 -3.582 245 H GLY 35 H GLY 35 9.340 8.688 1.801 246 HA2 GLY 35 1HA GLY 35 10.113 10.010 3.503 247 HA3 GLY 35 2HA GLY 35 11.355 10.625 2.409 248 H VAL 36 H VAL 36 7.899 11.011 1.759 249 HA VAL 36 HA VAL 36 8.132 13.834 1.307 250 HB VAL 36 HB VAL 36 5.659 12.105 1.631 251 HG11 VAL 36 1HG1 VAL 36 5.020 14.456 1.830 252 HG12 VAL 36 2HG1 VAL 36 5.958 14.860 0.369 253 HG13 VAL 36 3HG1 VAL 36 4.513 13.828 0.264 254 HG21 VAL 36 3HG2 VAL 36 7.165 12.974 -0.878 255 HG22 VAL 36 1HG2 VAL 36 7.114 11.328 -0.216 256 HG23 VAL 36 2HG2 VAL 36 5.640 12.060 -0.843 257 H LYS 37 H LYS 37 7.594 15.578 2.484 258 HA LYS 37 HA LYS 37 6.381 15.408 5.161 259 HB2 LYS 37 1HB LYS 37 8.219 16.595 6.246 260 HB3 LYS 37 2HB LYS 37 8.735 15.024 5.639 261 HG2 LYS 37 1HG LYS 37 9.806 16.135 3.676 262 HG3 LYS 37 2HG LYS 37 9.290 17.712 4.306 263 HD2 LYS 37 1HD LYS 37 10.654 17.348 6.349 264 HD3 LYS 37 2HD LYS 37 11.102 15.741 5.764 265 HE2 LYS 37 1HE LYS 37 12.946 17.191 5.317 266 HE3 LYS 37 2HE LYS 37 12.199 16.768 3.775 267 HZ1 LYS 37 3HZ LYS 37 11.769 19.327 5.236 268 HZ2 LYS 37 1HZ LYS 37 11.107 18.953 3.787 269 HZ3 LYS 37 2HZ LYS 37 12.718 19.145 3.924 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 6.270 -23.073 -11.970 2 H2 GLY 1 2H GLY 1 5.452 -21.704 -11.591 3 H3 GLY 1 3H GLY 1 4.666 -23.138 -11.635 4 HA2 GLY 1 1HA GLY 1 5.941 -23.971 -9.768 5 HA3 GLY 1 2HA GLY 1 6.786 -22.414 -9.717 6 H SER 2 H SER 2 5.847 -22.835 -7.424 7 HA SER 2 HA SER 2 3.008 -22.205 -7.069 8 HB2 SER 2 1HB SER 2 5.155 -22.717 -4.988 9 HB3 SER 2 2HB SER 2 3.402 -22.739 -4.733 10 HG SER 2 HG SER 2 3.256 -24.537 -6.109 11 H SER 3 H SER 3 5.302 -20.069 -7.780 12 HA SER 3 HA SER 3 5.142 -18.129 -5.642 13 HB2 SER 3 1HB SER 3 6.280 -16.650 -7.308 14 HB3 SER 3 2HB SER 3 7.103 -18.184 -6.990 15 HG SER 3 HG SER 3 6.984 -17.685 -9.240 16 H GLY 4 H GLY 4 4.313 -15.965 -5.829 17 HA2 GLY 4 1HA GLY 4 2.688 -14.367 -6.264 18 HA3 GLY 4 2HA GLY 4 2.178 -15.269 -7.685 19 H SER 5 H SER 5 0.079 -14.383 -6.746 20 HA SER 5 HA SER 5 -1.320 -16.545 -5.325 21 HB2 SER 5 1HB SER 5 -2.317 -15.095 -3.649 22 HB3 SER 5 2HB SER 5 -0.557 -15.083 -3.492 23 HG SER 5 HG SER 5 -1.405 -12.972 -3.360 24 H SER 6 H SER 6 -3.646 -16.350 -5.390 25 HA SER 6 HA SER 6 -4.572 -15.175 -7.939 26 HB2 SER 6 1HB SER 6 -5.933 -17.156 -6.089 27 HB3 SER 6 2HB SER 6 -6.444 -16.709 -7.727 28 HG SER 6 HG SER 6 -5.227 -18.659 -7.699 29 H GLY 7 H GLY 7 -4.556 -13.954 -4.877 30 HA2 GLY 7 1HA GLY 7 -7.293 -13.086 -4.513 31 HA3 GLY 7 2HA GLY 7 -5.880 -12.504 -3.642 32 H ARG 8 H ARG 8 -7.948 -10.826 -4.329 33 HA ARG 8 HA ARG 8 -7.292 -9.322 -6.759 34 HB2 ARG 8 1HB ARG 8 -9.247 -8.040 -6.330 35 HB3 ARG 8 2HB ARG 8 -9.642 -9.734 -6.068 36 HG2 ARG 8 1HG ARG 8 -9.657 -9.457 -3.661 37 HG3 ARG 8 2HG ARG 8 -8.887 -7.874 -3.773 38 HD2 ARG 8 1HD ARG 8 -10.944 -7.089 -5.090 39 HD3 ARG 8 2HD ARG 8 -11.703 -8.612 -4.629 40 HE ARG 8 HE ARG 8 -12.014 -7.790 -2.476 41 HH11 ARG 8 2HH1 ARG 8 -9.682 -5.641 -4.025 42 HH12 ARG 8 1HH1 ARG 8 -9.628 -4.605 -2.609 43 HH21 ARG 8 2HH2 ARG 8 -11.900 -6.306 -0.781 44 HH22 ARG 8 1HH2 ARG 8 -10.785 -4.955 -0.921 45 H ALA 9 H ALA 9 -5.704 -9.260 -3.965 46 HA ALA 9 HA ALA 9 -5.530 -6.439 -3.370 47 HB1 ALA 9 1HB ALA 9 -5.129 -8.268 -1.737 48 HB2 ALA 9 2HB ALA 9 -3.678 -8.738 -2.661 49 HB3 ALA 9 3HB ALA 9 -3.747 -7.147 -1.873 50 H MET 10 H MET 10 -3.318 -5.444 -3.185 51 HA MET 10 HA MET 10 -1.644 -5.799 -5.634 52 HB2 MET 10 1HB MET 10 -1.612 -3.534 -6.012 53 HB3 MET 10 2HB MET 10 -3.255 -3.777 -5.417 54 HG2 MET 10 1HG MET 10 -2.651 -1.899 -4.266 55 HG3 MET 10 2HG MET 10 -2.270 -3.135 -3.078 56 HE1 MET 10 3HE MET 10 0.388 -3.426 -2.096 57 HE2 MET 10 1HE MET 10 1.010 -1.776 -1.970 58 HE3 MET 10 2HE MET 10 -0.690 -2.114 -1.610 59 H LYS 11 H LYS 11 0.612 -5.198 -5.360 60 HA LYS 11 HA LYS 11 1.648 -5.436 -2.557 61 HB2 LYS 11 1HB LYS 11 2.037 -7.402 -4.121 62 HB3 LYS 11 2HB LYS 11 3.071 -6.337 -5.078 63 HG2 LYS 11 1HG LYS 11 4.494 -5.958 -3.034 64 HG3 LYS 11 2HG LYS 11 3.442 -7.071 -2.134 65 HD2 LYS 11 1HD LYS 11 4.016 -8.875 -3.811 66 HD3 LYS 11 2HD LYS 11 5.088 -7.731 -4.620 67 HE2 LYS 11 1HE LYS 11 6.471 -9.097 -3.258 68 HE3 LYS 11 2HE LYS 11 6.402 -7.505 -2.489 69 HZ1 LYS 11 3HZ LYS 11 6.128 -9.355 -0.899 70 HZ2 LYS 11 1HZ LYS 11 4.756 -9.847 -1.667 71 HZ3 LYS 11 2HZ LYS 11 4.817 -8.399 -0.896 72 H CYS 12 H CYS 12 3.074 -3.966 -1.857 73 HA CYS 12 HA CYS 12 3.052 -1.386 -2.842 74 HB2 CYS 12 1HB CYS 12 3.442 -2.028 -0.548 75 HB3 CYS 12 2HB CYS 12 4.946 -2.848 -0.979 76 HA PRO 13 HA PRO 13 6.209 -1.432 -5.976 77 HB2 PRO 13 1HB PRO 13 6.456 1.282 -6.461 78 HB3 PRO 13 2HB PRO 13 5.159 0.220 -7.072 79 HG2 PRO 13 1HG PRO 13 5.066 2.158 -4.792 80 HG3 PRO 13 2HG PRO 13 3.768 1.683 -5.920 81 HD2 PRO 13 1HD PRO 13 4.047 0.742 -3.331 82 HD3 PRO 13 2HD PRO 13 3.135 -0.075 -4.633 83 H TYR 14 H TYR 14 6.773 -0.452 -2.808 84 HA TYR 14 HA TYR 14 9.713 -0.059 -3.298 85 HB2 TYR 14 1HB TYR 14 7.895 1.237 -1.268 86 HB3 TYR 14 2HB TYR 14 9.647 1.348 -1.216 87 HD1 TYR 14 1HD TYR 14 6.645 2.202 -3.226 88 HD2 TYR 14 2HD TYR 14 10.815 2.990 -2.514 89 HE1 TYR 14 1HE TYR 14 6.558 4.114 -4.842 90 HE2 TYR 14 2HE TYR 14 10.699 4.972 -4.029 91 HH TYR 14 HH TYR 14 7.712 5.814 -5.830 92 H CYS 15 H CYS 15 7.295 -1.765 -1.342 93 HA CYS 15 HA CYS 15 9.489 -3.336 -0.114 94 HB2 CYS 15 1HB CYS 15 8.799 -3.076 2.095 95 HB3 CYS 15 2HB CYS 15 8.879 -1.461 1.426 96 H ASP 16 H ASP 16 8.138 -4.939 1.550 97 HA ASP 16 HA ASP 16 7.068 -6.889 -0.335 98 HB2 ASP 16 1HB ASP 16 8.748 -7.385 1.442 99 HB3 ASP 16 2HB ASP 16 7.528 -7.038 2.669 100 H PHE 17 H PHE 17 5.573 -4.514 1.658 101 HA PHE 17 HA PHE 17 3.391 -6.078 2.650 102 HB2 PHE 17 1HB PHE 17 4.456 -4.014 3.652 103 HB3 PHE 17 2HB PHE 17 3.584 -3.062 2.458 104 HD1 PHE 17 1HD PHE 17 3.049 -5.639 5.157 105 HD2 PHE 17 2HD PHE 17 1.422 -2.268 3.021 106 HE1 PHE 17 1HE PHE 17 1.106 -5.592 6.707 107 HE2 PHE 17 2HE PHE 17 -0.515 -2.217 4.572 108 HZ PHE 17 HZ PHE 17 -0.676 -3.878 6.418 109 H TYR 18 H TYR 18 1.135 -5.831 2.317 110 HA TYR 18 HA TYR 18 0.328 -5.205 -0.485 111 HB2 TYR 18 1HB TYR 18 -0.757 -7.285 1.447 112 HB3 TYR 18 2HB TYR 18 -1.429 -6.938 -0.135 113 HD1 TYR 18 1HD TYR 18 1.593 -8.252 1.617 114 HD2 TYR 18 2HD TYR 18 -0.535 -7.915 -2.121 115 HE1 TYR 18 1HE TYR 18 3.134 -9.885 0.595 116 HE2 TYR 18 2HE TYR 18 1.004 -9.561 -3.150 117 HH TYR 18 HH TYR 18 2.752 -11.019 -2.800 118 H PHE 19 H PHE 19 -1.733 -4.402 -0.917 119 HA PHE 19 HA PHE 19 -3.468 -3.590 1.355 120 HB2 PHE 19 1HB PHE 19 -2.603 -1.699 -0.857 121 HB3 PHE 19 2HB PHE 19 -4.086 -1.493 0.027 122 HD1 PHE 19 1HD PHE 19 -0.371 -1.458 0.424 123 HD2 PHE 19 2HD PHE 19 -4.191 -0.665 2.268 124 HE1 PHE 19 1HE PHE 19 0.749 -0.131 2.178 125 HE2 PHE 19 2HE PHE 19 -3.045 0.604 4.066 126 HZ PHE 19 HZ PHE 19 -0.580 0.908 4.006 127 H MET 20 H MET 20 -5.620 -3.608 0.972 128 HA MET 20 HA MET 20 -6.662 -4.451 -1.682 129 HB2 MET 20 1HB MET 20 -8.075 -6.190 -0.485 130 HB3 MET 20 2HB MET 20 -6.366 -6.520 -0.675 131 HG2 MET 20 1HG MET 20 -7.065 -7.233 1.506 132 HG3 MET 20 2HG MET 20 -5.906 -5.933 1.641 133 HE1 MET 20 3HE MET 20 -9.364 -7.301 2.489 134 HE2 MET 20 1HE MET 20 -10.348 -5.874 2.874 135 HE3 MET 20 2HE MET 20 -9.878 -6.200 1.190 136 H LYS 21 H LYS 21 -6.963 -2.203 0.707 137 HA LYS 21 HA LYS 21 -9.583 -1.325 -0.329 138 HB2 LYS 21 1HB LYS 21 -8.987 -1.807 2.620 139 HB3 LYS 21 2HB LYS 21 -10.156 -0.593 2.099 140 HG2 LYS 21 1HG LYS 21 -11.458 -2.309 0.889 141 HG3 LYS 21 2HG LYS 21 -10.329 -3.559 1.444 142 HD2 LYS 21 1HD LYS 21 -10.887 -3.063 3.793 143 HD3 LYS 21 2HD LYS 21 -11.970 -1.753 3.275 144 HE2 LYS 21 1HE LYS 21 -13.362 -3.392 2.032 145 HE3 LYS 21 2HE LYS 21 -12.297 -4.701 2.558 146 HZ1 LYS 21 3HZ LYS 21 -12.920 -4.187 4.864 147 HZ2 LYS 21 1HZ LYS 21 -14.252 -4.526 3.987 148 HZ3 LYS 21 2HZ LYS 21 -13.906 -2.981 4.372 149 H ASN 22 H ASN 22 -9.890 0.812 -0.269 150 HA ASN 22 HA ASN 22 -9.443 2.945 -0.658 151 HB2 ASN 22 1HB ASN 22 -9.809 2.997 1.746 152 HB3 ASN 22 2HB ASN 22 -8.082 2.749 2.034 153 HD21 ASN 22 1HD2 ASN 22 -7.737 4.744 3.102 154 HD22 ASN 22 2HD2 ASN 22 -7.784 6.260 2.177 155 H GLY 23 H GLY 23 -8.335 3.847 -2.188 156 HA2 GLY 23 1HA GLY 23 -5.618 3.346 -2.870 157 HA3 GLY 23 2HA GLY 23 -6.612 4.688 -3.442 158 H SER 24 H SER 24 -6.987 5.909 -0.702 159 HA SER 24 HA SER 24 -4.482 7.389 -0.762 160 HB2 SER 24 1HB SER 24 -5.439 8.983 0.612 161 HB3 SER 24 2HB SER 24 -6.734 8.438 -0.463 162 HG SER 24 HG SER 24 -7.535 8.546 1.605 163 H ASP 25 H ASP 25 -5.589 4.743 1.217 164 HA ASP 25 HA ASP 25 -3.589 5.112 3.332 165 HB2 ASP 25 1HB ASP 25 -5.416 2.845 2.512 166 HB3 ASP 25 2HB ASP 25 -4.102 2.595 3.656 167 H LEU 26 H LEU 26 -3.727 3.398 0.199 168 HA LEU 26 HA LEU 26 -1.024 2.355 0.394 169 HB2 LEU 26 1HB LEU 26 -2.639 1.343 -1.108 170 HB3 LEU 26 2HB LEU 26 -2.888 2.869 -1.956 171 HG LEU 26 HG LEU 26 -0.569 2.825 -2.801 172 HD11 LEU 26 1HD1 LEU 26 0.749 0.689 -2.564 173 HD12 LEU 26 2HD1 LEU 26 -0.418 0.175 -1.326 174 HD13 LEU 26 3HD1 LEU 26 0.607 1.594 -1.056 175 HD21 LEU 26 3HD2 LEU 26 -2.360 1.813 -4.125 176 HD22 LEU 26 1HD2 LEU 26 -2.108 0.257 -3.302 177 HD23 LEU 26 2HD2 LEU 26 -0.835 0.937 -4.343 178 H GLN 27 H GLN 27 -2.451 5.309 -1.097 179 HA GLN 27 HA GLN 27 -0.089 6.314 -2.224 180 HB2 GLN 27 1HB GLN 27 -2.475 7.080 -2.579 181 HB3 GLN 27 2HB GLN 27 -2.343 7.993 -1.064 182 HG2 GLN 27 1HG GLN 27 -0.495 9.318 -2.035 183 HG3 GLN 27 2HG GLN 27 -0.532 8.328 -3.496 184 HE21 GLN 27 1HE2 GLN 27 -0.927 10.292 -4.773 185 HE22 GLN 27 2HE2 GLN 27 -2.535 11.000 -4.778 186 H ARG 28 H ARG 28 -1.365 6.962 1.097 187 HA ARG 28 HA ARG 28 0.902 8.580 1.865 188 HB2 ARG 28 1HB ARG 28 0.026 8.690 3.987 189 HB3 ARG 28 2HB ARG 28 -1.336 8.711 2.871 190 HG2 ARG 28 1HG ARG 28 -1.603 6.201 3.359 191 HG3 ARG 28 2HG ARG 28 -0.381 6.405 4.622 192 HD2 ARG 28 1HD ARG 28 -2.383 6.657 5.782 193 HD3 ARG 28 2HD ARG 28 -1.848 8.329 5.485 194 HE ARG 28 HE ARG 28 -3.523 7.578 3.326 195 HH11 ARG 28 2HH1 ARG 28 -3.922 8.106 6.767 196 HH12 ARG 28 1HH1 ARG 28 -5.623 8.453 6.619 197 HH21 ARG 28 2HH2 ARG 28 -5.748 8.002 3.213 198 HH22 ARG 28 1HH2 ARG 28 -6.600 8.413 4.668 199 H HIS 29 H HIS 29 0.378 5.074 2.037 200 HA HIS 29 HA HIS 29 2.755 4.475 3.560 201 HB2 HIS 29 1HB HIS 29 0.938 2.884 3.339 202 HB3 HIS 29 2HB HIS 29 1.108 2.846 1.588 203 HD1 HIS 29 1HD HIS 29 2.686 1.373 4.720 204 HD2 HIS 29 2HD HIS 29 3.165 1.454 0.546 205 HE1 HIS 29 1HE HIS 29 4.320 -0.493 4.177 206 H ILE 30 H ILE 30 2.179 4.874 0.035 207 HA ILE 30 HA ILE 30 4.920 4.274 -0.696 208 HB ILE 30 HB ILE 30 2.607 5.641 -2.117 209 HG12 ILE 30 1HG1 ILE 30 4.008 2.982 -2.674 210 HG13 ILE 30 2HG1 ILE 30 2.586 3.122 -1.643 211 HG21 ILE 30 1HG2 ILE 30 4.062 5.460 -4.201 212 HG22 ILE 30 2HG2 ILE 30 4.591 6.669 -3.035 213 HG23 ILE 30 3HG2 ILE 30 5.420 5.099 -3.114 214 HD11 ILE 30 3HD1 ILE 30 2.711 3.788 -4.603 215 HD12 ILE 30 1HD1 ILE 30 1.820 2.482 -3.818 216 HD13 ILE 30 2HD1 ILE 30 1.340 4.178 -3.534 217 H TRP 31 H TRP 31 3.181 7.378 -0.328 218 HA TRP 31 HA TRP 31 5.356 9.148 -0.652 219 HB2 TRP 31 1HB TRP 31 2.887 9.219 1.077 220 HB3 TRP 31 2HB TRP 31 4.026 10.545 1.079 221 HD1 TRP 31 1HD TRP 31 4.473 10.153 -2.257 222 HE1 TRP 31 1HE TRP 31 2.817 11.362 -3.727 223 HE3 TRP 31 3HE TRP 31 0.704 10.826 1.166 224 HZ2 TRP 31 2HZ TRP 31 0.186 12.570 -3.475 225 HZ3 TRP 31 3HZ TRP 31 -1.375 12.018 0.506 226 HH2 TRP 31 2HH TRP 31 -1.642 12.897 -1.801 227 H ALA 32 H ALA 32 4.702 7.044 2.109 228 HA ALA 32 HA ALA 32 6.602 8.318 3.883 229 HB1 ALA 32 1HB ALA 32 6.259 6.304 5.264 230 HB2 ALA 32 2HB ALA 32 4.705 6.932 4.675 231 HB3 ALA 32 3HB ALA 32 5.435 5.499 3.915 232 H HIS 33 H HIS 33 6.868 5.593 1.546 233 HA HIS 33 HA HIS 33 9.647 4.990 2.139 234 HB2 HIS 33 1HB HIS 33 7.963 4.499 -0.351 235 HB3 HIS 33 2HB HIS 33 9.589 3.886 -0.092 236 HD1 HIS 33 1HD HIS 33 9.737 2.332 2.375 237 HD2 HIS 33 2HD HIS 33 6.185 2.704 0.168 238 HE1 HIS 33 1HE HIS 33 8.337 0.305 2.975 239 H GLU 34 H GLU 34 8.021 7.203 -0.138 240 HA GLU 34 HA GLU 34 10.475 8.304 -1.235 241 HB2 GLU 34 1HB GLU 34 7.564 9.146 -1.248 242 HB3 GLU 34 2HB GLU 34 8.805 10.138 -2.000 243 HG2 GLU 34 1HG GLU 34 8.431 7.213 -2.745 244 HG3 GLU 34 2HG GLU 34 7.527 8.516 -3.505 245 H GLY 35 H GLY 35 9.333 8.619 1.893 246 HA2 GLY 35 1HA GLY 35 10.128 9.872 3.633 247 HA3 GLY 35 2HA GLY 35 11.313 10.587 2.537 248 H VAL 36 H VAL 36 7.846 10.908 1.935 249 HA VAL 36 HA VAL 36 7.987 13.786 1.792 250 HB VAL 36 HB VAL 36 5.577 11.941 1.839 251 HG11 VAL 36 1HG1 VAL 36 5.811 14.831 0.902 252 HG12 VAL 36 2HG1 VAL 36 4.408 13.773 0.639 253 HG13 VAL 36 3HG1 VAL 36 4.851 14.236 2.279 254 HG21 VAL 36 3HG2 VAL 36 7.112 13.134 -0.515 255 HG22 VAL 36 1HG2 VAL 36 7.098 11.423 -0.049 256 HG23 VAL 36 2HG2 VAL 36 5.616 12.180 -0.627 257 H LYS 37 H LYS 37 7.346 15.348 3.169 258 HA LYS 37 HA LYS 37 6.236 14.690 5.863 259 HB2 LYS 37 1HB LYS 37 8.520 16.600 5.216 260 HB3 LYS 37 2HB LYS 37 7.714 16.510 6.769 261 HG2 LYS 37 1HG LYS 37 9.347 14.289 5.466 262 HG3 LYS 37 2HG LYS 37 9.876 15.336 6.770 263 HD2 LYS 37 1HD LYS 37 7.642 13.270 6.947 264 HD3 LYS 37 2HD LYS 37 9.275 13.120 7.598 265 HE2 LYS 37 1HE LYS 37 8.861 15.094 9.071 266 HE3 LYS 37 2HE LYS 37 7.207 15.198 8.450 267 HZ1 LYS 37 3HZ LYS 37 8.327 12.875 9.928 268 HZ2 LYS 37 1HZ LYS 37 6.801 12.968 9.348 269 HZ3 LYS 37 2HZ LYS 37 7.286 13.972 10.540 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 -0.998 -28.008 -0.452 2 H2 GLY 1 2H GLY 1 -1.517 -26.464 -0.627 3 H3 GLY 1 3H GLY 1 0.031 -26.763 -0.189 4 HA2 GLY 1 1HA GLY 1 0.501 -27.803 -2.311 5 HA3 GLY 1 2HA GLY 1 -1.171 -27.457 -2.787 6 H SER 2 H SER 2 -0.616 -26.120 -4.523 7 HA SER 2 HA SER 2 1.241 -23.957 -4.427 8 HB2 SER 2 1HB SER 2 -1.150 -24.342 -6.268 9 HB3 SER 2 2HB SER 2 0.236 -23.270 -6.549 10 HG SER 2 HG SER 2 0.464 -25.290 -7.629 11 H SER 3 H SER 3 0.909 -21.681 -4.485 12 HA SER 3 HA SER 3 -1.047 -20.684 -2.593 13 HB2 SER 3 1HB SER 3 0.024 -18.481 -3.092 14 HB3 SER 3 2HB SER 3 1.131 -19.744 -2.534 15 HG SER 3 HG SER 3 1.964 -18.585 -4.342 16 H GLY 4 H GLY 4 -2.617 -19.096 -2.904 17 HA2 GLY 4 1HA GLY 4 -4.151 -19.278 -5.407 18 HA3 GLY 4 2HA GLY 4 -4.636 -18.493 -3.911 19 H SER 5 H SER 5 -5.337 -17.162 -5.999 20 HA SER 5 HA SER 5 -3.441 -15.193 -6.996 21 HB2 SER 5 1HB SER 5 -5.427 -15.863 -8.271 22 HB3 SER 5 2HB SER 5 -6.482 -15.218 -6.998 23 HG SER 5 HG SER 5 -6.074 -13.788 -8.834 24 H SER 6 H SER 6 -3.396 -12.953 -6.537 25 HA SER 6 HA SER 6 -3.873 -12.113 -3.772 26 HB2 SER 6 1HB SER 6 -2.977 -9.944 -4.599 27 HB3 SER 6 2HB SER 6 -1.902 -11.318 -4.903 28 HG SER 6 HG SER 6 -2.117 -9.961 -6.750 29 H GLY 7 H GLY 7 -5.765 -12.135 -6.680 30 HA2 GLY 7 1HA GLY 7 -7.908 -11.406 -7.120 31 HA3 GLY 7 2HA GLY 7 -8.124 -11.313 -5.374 32 H ARG 8 H ARG 8 -8.683 -9.379 -4.636 33 HA ARG 8 HA ARG 8 -8.525 -6.980 -6.318 34 HB2 ARG 8 1HB ARG 8 -10.567 -7.773 -5.061 35 HB3 ARG 8 2HB ARG 8 -9.761 -7.328 -3.555 36 HG2 ARG 8 1HG ARG 8 -9.736 -4.971 -4.216 37 HG3 ARG 8 2HG ARG 8 -10.339 -5.371 -5.831 38 HD2 ARG 8 1HD ARG 8 -11.835 -5.864 -3.220 39 HD3 ARG 8 2HD ARG 8 -12.060 -4.440 -4.229 40 HE ARG 8 HE ARG 8 -13.075 -7.147 -4.703 41 HH11 ARG 8 2HH1 ARG 8 -12.453 -4.086 -6.303 42 HH12 ARG 8 1HH1 ARG 8 -13.568 -4.438 -7.595 43 HH21 ARG 8 2HH2 ARG 8 -14.467 -7.528 -6.384 44 HH22 ARG 8 1HH2 ARG 8 -14.674 -6.336 -7.633 45 H ALA 9 H ALA 9 -6.386 -8.252 -4.111 46 HA ALA 9 HA ALA 9 -5.478 -5.759 -2.916 47 HB1 ALA 9 1HB ALA 9 -4.126 -8.455 -3.149 48 HB2 ALA 9 2HB ALA 9 -3.716 -7.155 -2.016 49 HB3 ALA 9 3HB ALA 9 -5.286 -8.004 -1.868 50 H MET 10 H MET 10 -3.158 -5.213 -3.016 51 HA MET 10 HA MET 10 -1.788 -5.655 -5.601 52 HB2 MET 10 1HB MET 10 -1.732 -3.498 -6.216 53 HB3 MET 10 2HB MET 10 -3.140 -3.338 -5.180 54 HG2 MET 10 1HG MET 10 -0.263 -2.614 -4.527 55 HG3 MET 10 2HG MET 10 -1.591 -1.518 -4.838 56 HE1 MET 10 3HE MET 10 -0.078 -2.255 -0.875 57 HE2 MET 10 1HE MET 10 0.397 -3.428 -2.088 58 HE3 MET 10 2HE MET 10 0.584 -1.693 -2.425 59 H LYS 11 H LYS 11 0.577 -4.962 -5.393 60 HA LYS 11 HA LYS 11 1.609 -5.358 -2.609 61 HB2 LYS 11 1HB LYS 11 2.074 -7.213 -4.280 62 HB3 LYS 11 2HB LYS 11 3.130 -6.072 -5.135 63 HG2 LYS 11 1HG LYS 11 4.504 -5.800 -3.094 64 HG3 LYS 11 2HG LYS 11 3.354 -6.791 -2.177 65 HD2 LYS 11 1HD LYS 11 3.862 -8.701 -3.764 66 HD3 LYS 11 2HD LYS 11 5.178 -7.719 -4.440 67 HE2 LYS 11 1HE LYS 11 6.315 -7.612 -2.333 68 HE3 LYS 11 2HE LYS 11 4.891 -8.183 -1.452 69 HZ1 LYS 11 3HZ LYS 11 5.162 -10.346 -2.440 70 HZ2 LYS 11 1HZ LYS 11 6.540 -9.899 -1.658 71 HZ3 LYS 11 2HZ LYS 11 6.478 -9.863 -3.302 72 H CYS 12 H CYS 12 3.086 -3.947 -1.817 73 HA CYS 12 HA CYS 12 3.063 -1.285 -2.702 74 HB2 CYS 12 1HB CYS 12 3.409 -1.949 -0.418 75 HB3 CYS 12 2HB CYS 12 4.869 -2.852 -0.843 76 HA PRO 13 HA PRO 13 6.200 -1.389 -5.863 77 HB2 PRO 13 1HB PRO 13 6.559 1.331 -6.265 78 HB3 PRO 13 2HB PRO 13 5.204 0.351 -6.891 79 HG2 PRO 13 1HG PRO 13 5.246 2.173 -4.500 80 HG3 PRO 13 2HG PRO 13 3.924 1.872 -5.665 81 HD2 PRO 13 1HD PRO 13 4.038 0.736 -3.170 82 HD3 PRO 13 2HD PRO 13 3.200 0.010 -4.568 83 H TYR 14 H TYR 14 6.851 -0.500 -2.672 84 HA TYR 14 HA TYR 14 9.800 -0.242 -3.216 85 HB2 TYR 14 1HB TYR 14 8.100 1.104 -1.115 86 HB3 TYR 14 2HB TYR 14 9.855 1.137 -1.125 87 HD1 TYR 14 1HD TYR 14 6.806 2.264 -2.892 88 HD2 TYR 14 2HD TYR 14 11.092 2.587 -2.605 89 HE1 TYR 14 1HE TYR 14 6.781 4.215 -4.481 90 HE2 TYR 14 2HE TYR 14 11.055 4.569 -4.115 91 HH TYR 14 HH TYR 14 9.769 5.922 -5.444 92 H CYS 15 H CYS 15 7.351 -1.838 -1.206 93 HA CYS 15 HA CYS 15 9.513 -3.520 -0.054 94 HB2 CYS 15 1HB CYS 15 8.808 -3.318 2.169 95 HB3 CYS 15 2HB CYS 15 9.006 -1.692 1.545 96 H ASP 16 H ASP 16 8.345 -5.262 1.450 97 HA ASP 16 HA ASP 16 7.095 -7.000 -0.507 98 HB2 ASP 16 1HB ASP 16 8.937 -7.635 1.069 99 HB3 ASP 16 2HB ASP 16 7.785 -7.530 2.400 100 H PHE 17 H PHE 17 5.645 -4.735 1.452 101 HA PHE 17 HA PHE 17 3.542 -6.382 2.587 102 HB2 PHE 17 1HB PHE 17 4.721 -4.312 3.578 103 HB3 PHE 17 2HB PHE 17 3.618 -3.365 2.587 104 HD1 PHE 17 2HD PHE 17 3.857 -5.904 5.319 105 HD2 PHE 17 1HD PHE 17 1.305 -3.086 3.289 106 HE1 PHE 17 2HE PHE 17 2.152 -6.156 7.110 107 HE2 PHE 17 1HE PHE 17 -0.394 -3.334 5.078 108 HZ PHE 17 HZ PHE 17 0.024 -4.866 6.994 109 H TYR 18 H TYR 18 1.303 -6.148 2.341 110 HA TYR 18 HA TYR 18 0.342 -5.303 -0.361 111 HB2 TYR 18 1HB TYR 18 -0.605 -7.547 1.456 112 HB3 TYR 18 2HB TYR 18 -1.380 -7.069 -0.042 113 HD1 TYR 18 1HD TYR 18 1.851 -8.394 1.343 114 HD2 TYR 18 2HD TYR 18 -0.720 -8.014 -2.102 115 HE1 TYR 18 1HE TYR 18 3.316 -9.921 0.087 116 HE2 TYR 18 2HE TYR 18 0.722 -9.570 -3.359 117 HH TYR 18 HH TYR 18 2.583 -10.960 -3.277 118 H PHE 19 H PHE 19 -1.644 -4.339 -0.589 119 HA PHE 19 HA PHE 19 -3.374 -3.865 1.758 120 HB2 PHE 19 1HB PHE 19 -2.382 -1.637 -0.060 121 HB3 PHE 19 2HB PHE 19 -3.829 -1.514 0.903 122 HD1 PHE 19 2HD PHE 19 -3.742 -1.502 3.395 123 HD2 PHE 19 1HD PHE 19 -0.174 -1.343 0.980 124 HE1 PHE 19 2HE PHE 19 -2.460 -0.614 5.326 125 HE2 PHE 19 1HE PHE 19 1.100 -0.477 2.901 126 HZ PHE 19 HZ PHE 19 -0.038 -0.096 5.087 127 H MET 20 H MET 20 -5.568 -3.166 1.068 128 HA MET 20 HA MET 20 -6.384 -3.939 -1.667 129 HB2 MET 20 1HB MET 20 -6.318 -5.988 -0.194 130 HB3 MET 20 2HB MET 20 -7.550 -5.258 0.827 131 HG2 MET 20 1HG MET 20 -7.886 -5.764 -2.150 132 HG3 MET 20 2HG MET 20 -8.256 -6.979 -0.941 133 HE1 MET 20 3HE MET 20 -10.245 -6.945 0.716 134 HE2 MET 20 1HE MET 20 -9.769 -5.377 1.412 135 HE3 MET 20 2HE MET 20 -11.431 -5.629 0.844 136 H LYS 21 H LYS 21 -8.087 -2.826 -2.342 137 HA LYS 21 HA LYS 21 -9.372 -1.081 -2.723 138 HB2 LYS 21 1HB LYS 21 -11.456 -0.974 -1.634 139 HB3 LYS 21 2HB LYS 21 -10.964 -2.652 -1.795 140 HG2 LYS 21 1HG LYS 21 -10.367 -2.727 0.606 141 HG3 LYS 21 2HG LYS 21 -10.756 -1.004 0.772 142 HD2 LYS 21 1HD LYS 21 -13.108 -1.486 0.160 143 HD3 LYS 21 2HD LYS 21 -12.709 -3.209 -0.024 144 HE2 LYS 21 1HE LYS 21 -12.002 -3.298 2.356 145 HE3 LYS 21 2HE LYS 21 -12.382 -1.581 2.541 146 HZ1 LYS 21 3HZ LYS 21 -14.710 -2.109 2.046 147 HZ2 LYS 21 1HZ LYS 21 -14.206 -2.981 3.327 148 HZ3 LYS 21 2HZ LYS 21 -14.363 -3.697 1.871 149 H ASN 22 H ASN 22 -7.912 -0.561 0.415 150 HA ASN 22 HA ASN 22 -8.763 2.217 0.573 151 HB2 ASN 22 1HB ASN 22 -6.847 0.531 2.233 152 HB3 ASN 22 2HB ASN 22 -7.252 2.207 2.598 153 HD21 ASN 22 1HD2 ASN 22 -9.583 2.744 3.000 154 HD22 ASN 22 2HD2 ASN 22 -10.564 1.485 3.730 155 H GLY 23 H GLY 23 -7.829 2.416 -1.788 156 HA2 GLY 23 1HA GLY 23 -5.088 2.812 -2.314 157 HA3 GLY 23 2HA GLY 23 -6.414 3.632 -3.143 158 H SER 24 H SER 24 -7.427 5.120 -0.894 159 HA SER 24 HA SER 24 -5.765 7.424 -0.822 160 HB2 SER 24 1HB SER 24 -7.975 6.628 1.113 161 HB3 SER 24 2HB SER 24 -7.349 8.263 0.836 162 HG SER 24 HG SER 24 -9.276 7.866 -0.353 163 H ASP 25 H ASP 25 -5.614 4.562 1.172 164 HA ASP 25 HA ASP 25 -3.838 5.871 3.169 165 HB2 ASP 25 1HB ASP 25 -5.702 4.350 3.898 166 HB3 ASP 25 2HB ASP 25 -4.860 3.018 3.102 167 H LEU 26 H LEU 26 -3.810 3.435 0.544 168 HA LEU 26 HA LEU 26 -1.112 2.596 0.750 169 HB2 LEU 26 1HB LEU 26 -2.759 1.505 -0.707 170 HB3 LEU 26 2HB LEU 26 -2.898 2.965 -1.688 171 HG LEU 26 HG LEU 26 -0.545 2.730 -2.426 172 HD11 LEU 26 1HD1 LEU 26 0.654 0.603 -2.003 173 HD12 LEU 26 2HD1 LEU 26 -0.626 0.128 -0.858 174 HD13 LEU 26 3HD1 LEU 26 0.425 1.520 -0.518 175 HD21 LEU 26 3HD2 LEU 26 -2.276 1.800 -3.821 176 HD22 LEU 26 1HD2 LEU 26 -2.321 0.311 -2.860 177 HD23 LEU 26 2HD2 LEU 26 -0.883 0.702 -3.831 178 H GLN 27 H GLN 27 -2.468 5.488 -0.915 179 HA GLN 27 HA GLN 27 -0.056 6.484 -2.023 180 HB2 GLN 27 1HB GLN 27 -2.491 7.908 -0.867 181 HB3 GLN 27 2HB GLN 27 -1.163 8.767 -1.640 182 HG2 GLN 27 1HG GLN 27 -2.873 6.651 -2.998 183 HG3 GLN 27 2HG GLN 27 -3.039 8.394 -3.179 184 HE21 GLN 27 1HE2 GLN 27 -0.819 9.525 -3.884 185 HE22 GLN 27 2HE2 GLN 27 0.024 8.660 -5.162 186 H ARG 28 H ARG 28 -1.265 6.815 1.319 187 HA ARG 28 HA ARG 28 0.858 8.572 2.235 188 HB2 ARG 28 1HB ARG 28 -0.598 6.659 4.072 189 HB3 ARG 28 2HB ARG 28 0.023 8.265 4.414 190 HG2 ARG 28 1HG ARG 28 -2.420 7.546 2.766 191 HG3 ARG 28 2HG ARG 28 -2.421 8.234 4.382 192 HD2 ARG 28 1HD ARG 28 -1.581 10.342 3.586 193 HD3 ARG 28 2HD ARG 28 -1.263 9.681 1.969 194 HE ARG 28 HE ARG 28 -3.879 9.169 2.123 195 HH11 ARG 28 2HH1 ARG 28 -2.245 12.192 2.859 196 HH12 ARG 28 1HH1 ARG 28 -3.636 13.146 2.426 197 HH21 ARG 28 2HH2 ARG 28 -5.600 10.437 1.624 198 HH22 ARG 28 1HH2 ARG 28 -5.491 12.171 1.742 199 H HIS 29 H HIS 29 0.437 5.036 2.352 200 HA HIS 29 HA HIS 29 2.897 4.409 3.659 201 HB2 HIS 29 1HB HIS 29 1.022 2.842 3.409 202 HB3 HIS 29 2HB HIS 29 1.238 2.816 1.662 203 HD1 HIS 29 1HD HIS 29 2.920 1.505 4.856 204 HD2 HIS 29 2HD HIS 29 3.181 1.295 0.665 205 HE1 HIS 29 1HE HIS 29 4.559 -0.370 4.361 206 H ILE 30 H ILE 30 2.193 4.923 0.183 207 HA ILE 30 HA ILE 30 4.899 4.291 -0.669 208 HB ILE 30 HB ILE 30 2.516 5.624 -2.000 209 HG12 ILE 30 1HG1 ILE 30 3.915 2.955 -2.522 210 HG13 ILE 30 2HG1 ILE 30 2.501 3.129 -1.482 211 HG21 ILE 30 1HG2 ILE 30 4.460 6.650 -3.021 212 HG22 ILE 30 2HG2 ILE 30 5.273 5.077 -3.145 213 HG23 ILE 30 3HG2 ILE 30 3.851 5.449 -4.148 214 HD11 ILE 30 3HD1 ILE 30 1.698 2.418 -3.607 215 HD12 ILE 30 1HD1 ILE 30 1.255 4.139 -3.411 216 HD13 ILE 30 2HD1 ILE 30 2.614 3.664 -4.464 217 H TRP 31 H TRP 31 3.169 7.419 -0.329 218 HA TRP 31 HA TRP 31 5.359 9.126 -0.807 219 HB2 TRP 31 1HB TRP 31 2.950 9.399 1.009 220 HB3 TRP 31 2HB TRP 31 4.097 10.700 0.765 221 HD1 TRP 31 1HD TRP 31 4.494 10.158 -2.428 222 HE1 TRP 31 1HE TRP 31 2.720 10.973 -4.027 223 HE3 TRP 31 3HE TRP 31 0.609 10.649 0.881 224 HZ2 TRP 31 2HZ TRP 31 -0.059 11.818 -3.920 225 HZ3 TRP 31 3HZ TRP 31 -1.603 11.481 0.091 226 HH2 TRP 31 2HH TRP 31 -1.947 12.062 -2.296 227 H ALA 32 H ALA 32 4.709 7.210 2.082 228 HA ALA 32 HA ALA 32 6.708 8.466 3.751 229 HB1 ALA 32 1HB ALA 32 5.447 5.691 3.873 230 HB2 ALA 32 2HB ALA 32 6.378 6.466 5.173 231 HB3 ALA 32 3HB ALA 32 4.826 7.161 4.662 232 H HIS 33 H HIS 33 6.841 5.651 1.492 233 HA HIS 33 HA HIS 33 9.631 5.032 2.011 234 HB2 HIS 33 1HB HIS 33 7.834 4.460 -0.378 235 HB3 HIS 33 2HB HIS 33 9.482 3.887 -0.213 236 HD1 HIS 33 1HD HIS 33 9.830 2.389 2.269 237 HD2 HIS 33 2HD HIS 33 6.153 2.608 0.250 238 HE1 HIS 33 1HE HIS 33 8.546 0.310 2.949 239 H GLU 34 H GLU 34 7.965 7.235 -0.254 240 HA GLU 34 HA GLU 34 10.413 8.221 -1.475 241 HB2 GLU 34 1HB GLU 34 7.593 9.356 -1.389 242 HB3 GLU 34 2HB GLU 34 8.927 10.045 -2.320 243 HG2 GLU 34 1HG GLU 34 9.190 7.828 -3.489 244 HG3 GLU 34 2HG GLU 34 7.698 7.290 -2.709 245 H GLY 35 H GLY 35 9.405 8.628 1.693 246 HA2 GLY 35 1HA GLY 35 10.347 9.859 3.378 247 HA3 GLY 35 2HA GLY 35 11.440 10.602 2.208 248 H VAL 36 H VAL 36 7.970 10.909 1.727 249 HA VAL 36 HA VAL 36 8.085 13.806 1.790 250 HB VAL 36 HB VAL 36 5.682 11.956 1.647 251 HG11 VAL 36 1HG1 VAL 36 5.955 14.902 0.916 252 HG12 VAL 36 2HG1 VAL 36 4.549 13.878 0.556 253 HG13 VAL 36 3HG1 VAL 36 4.968 14.221 2.232 254 HG21 VAL 36 3HG2 VAL 36 5.764 12.358 -0.796 255 HG22 VAL 36 1HG2 VAL 36 7.266 13.291 -0.596 256 HG23 VAL 36 2HG2 VAL 36 7.231 11.551 -0.244 257 H LYS 37 H LYS 37 7.399 15.230 3.301 258 HA LYS 37 HA LYS 37 5.898 14.440 5.680 259 HB2 LYS 37 1HB LYS 37 7.579 15.594 7.208 260 HB3 LYS 37 2HB LYS 37 7.908 13.967 6.681 261 HG2 LYS 37 1HG LYS 37 9.925 15.368 6.772 262 HG3 LYS 37 2HG LYS 37 9.651 14.623 5.209 263 HD2 LYS 37 1HD LYS 37 10.503 16.907 4.977 264 HD3 LYS 37 2HD LYS 37 8.917 16.725 4.254 265 HE2 LYS 37 1HE LYS 37 8.195 17.557 6.764 266 HE3 LYS 37 2HE LYS 37 9.786 18.317 6.653 267 HZ1 LYS 37 3HZ LYS 37 7.560 18.593 4.708 268 HZ2 LYS 37 1HZ LYS 37 9.012 19.355 4.555 269 HZ3 LYS 37 2HZ LYS 37 8.004 19.752 5.784 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 0.272 -28.547 2.245 2 H2 GLY 1 2H GLY 1 -0.700 -29.779 2.718 3 H3 GLY 1 3H GLY 1 -1.259 -28.238 2.732 4 HA2 GLY 1 1HA GLY 1 -0.508 -29.758 0.321 5 HA3 GLY 1 2HA GLY 1 -2.169 -29.442 0.854 6 H SER 2 H SER 2 -1.156 -28.704 -1.687 7 HA SER 2 HA SER 2 -0.523 -25.856 -1.735 8 HB2 SER 2 1HB SER 2 -0.683 -26.149 -4.192 9 HB3 SER 2 2HB SER 2 0.432 -27.282 -3.411 10 HG SER 2 HG SER 2 -0.935 -28.319 -4.948 11 H SER 3 H SER 3 -1.782 -24.291 -2.967 12 HA SER 3 HA SER 3 -4.686 -24.678 -3.210 13 HB2 SER 3 1HB SER 3 -4.214 -23.965 -0.812 14 HB3 SER 3 2HB SER 3 -3.614 -22.430 -1.467 15 HG SER 3 HG SER 3 -5.861 -22.381 -0.879 16 H GLY 4 H GLY 4 -5.719 -22.667 -4.133 17 HA2 GLY 4 1HA GLY 4 -4.346 -21.884 -6.553 18 HA3 GLY 4 2HA GLY 4 -5.920 -21.312 -6.009 19 H SER 5 H SER 5 -3.861 -19.780 -7.304 20 HA SER 5 HA SER 5 -2.601 -18.042 -5.309 21 HB2 SER 5 1HB SER 5 -1.589 -16.976 -7.302 22 HB3 SER 5 2HB SER 5 -1.323 -18.725 -7.224 23 HG SER 5 HG SER 5 -1.969 -18.026 -9.325 24 H SER 6 H SER 6 -5.675 -18.017 -6.684 25 HA SER 6 HA SER 6 -6.109 -15.331 -7.394 26 HB2 SER 6 1HB SER 6 -8.108 -17.282 -6.194 27 HB3 SER 6 2HB SER 6 -8.487 -15.830 -7.139 28 HG SER 6 HG SER 6 -8.520 -17.736 -8.427 29 H GLY 7 H GLY 7 -6.953 -13.531 -6.383 30 HA2 GLY 7 1HA GLY 7 -7.951 -13.345 -3.728 31 HA3 GLY 7 2HA GLY 7 -6.232 -12.942 -3.704 32 H ARG 8 H ARG 8 -7.794 -11.022 -2.881 33 HA ARG 8 HA ARG 8 -8.312 -9.103 -5.125 34 HB2 ARG 8 1HB ARG 8 -9.464 -9.176 -2.310 35 HB3 ARG 8 2HB ARG 8 -9.868 -7.993 -3.560 36 HG2 ARG 8 1HG ARG 8 -10.740 -9.823 -5.009 37 HG3 ARG 8 2HG ARG 8 -10.451 -10.983 -3.704 38 HD2 ARG 8 1HD ARG 8 -12.301 -8.562 -3.554 39 HD3 ARG 8 2HD ARG 8 -12.804 -10.223 -3.820 40 HE ARG 8 HE ARG 8 -12.171 -10.829 -1.593 41 HH11 ARG 8 2HH1 ARG 8 -12.024 -7.349 -2.038 42 HH12 ARG 8 1HH1 ARG 8 -12.061 -7.048 -0.322 43 HH21 ARG 8 2HH2 ARG 8 -12.209 -10.360 0.567 44 HH22 ARG 8 1HH2 ARG 8 -12.155 -8.708 1.103 45 H ALA 9 H ALA 9 -5.799 -9.640 -3.251 46 HA ALA 9 HA ALA 9 -5.439 -7.105 -1.914 47 HB1 ALA 9 1HB ALA 9 -3.500 -9.386 -2.431 48 HB2 ALA 9 2HB ALA 9 -3.286 -8.066 -1.256 49 HB3 ALA 9 3HB ALA 9 -4.600 -9.243 -1.036 50 H MET 10 H MET 10 -3.651 -5.778 -2.065 51 HA MET 10 HA MET 10 -2.641 -5.090 -4.792 52 HB2 MET 10 1HB MET 10 -4.321 -3.609 -3.503 53 HB3 MET 10 2HB MET 10 -3.048 -3.318 -2.334 54 HG2 MET 10 1HG MET 10 -3.053 -2.623 -5.280 55 HG3 MET 10 2HG MET 10 -3.340 -1.521 -3.943 56 HE1 MET 10 3HE MET 10 0.320 -1.363 -2.328 57 HE2 MET 10 1HE MET 10 -1.389 -1.583 -1.886 58 HE3 MET 10 2HE MET 10 -0.329 -2.984 -2.174 59 H LYS 11 H LYS 11 -0.362 -4.837 -4.961 60 HA LYS 11 HA LYS 11 1.298 -5.314 -2.507 61 HB2 LYS 11 1HB LYS 11 1.362 -7.031 -4.397 62 HB3 LYS 11 2HB LYS 11 2.151 -5.798 -5.380 63 HG2 LYS 11 1HG LYS 11 3.975 -5.615 -3.678 64 HG3 LYS 11 2HG LYS 11 3.155 -6.834 -2.687 65 HD2 LYS 11 1HD LYS 11 3.383 -8.461 -4.619 66 HD3 LYS 11 2HD LYS 11 4.269 -7.214 -5.504 67 HE2 LYS 11 1HE LYS 11 5.893 -8.678 -4.551 68 HE3 LYS 11 2HE LYS 11 5.969 -7.159 -3.650 69 HZ1 LYS 11 3HZ LYS 11 5.980 -9.154 -2.200 70 HZ2 LYS 11 1HZ LYS 11 4.490 -9.579 -2.745 71 HZ3 LYS 11 2HZ LYS 11 4.700 -8.212 -1.867 72 H CYS 12 H CYS 12 2.671 -3.794 -1.846 73 HA CYS 12 HA CYS 12 2.549 -1.141 -2.660 74 HB2 CYS 12 1HB CYS 12 3.236 -1.887 -0.479 75 HB3 CYS 12 2HB CYS 12 4.618 -2.761 -1.144 76 HA PRO 13 HA PRO 13 5.233 -1.026 -6.201 77 HB2 PRO 13 1HB PRO 13 5.474 1.692 -6.580 78 HB3 PRO 13 2HB PRO 13 4.030 0.717 -6.975 79 HG2 PRO 13 1HG PRO 13 4.493 2.493 -4.598 80 HG3 PRO 13 2HG PRO 13 2.983 2.187 -5.505 81 HD2 PRO 13 1HD PRO 13 3.640 1.008 -3.087 82 HD3 PRO 13 2HD PRO 13 2.472 0.347 -4.272 83 H TYR 14 H TYR 14 6.333 -0.231 -3.112 84 HA TYR 14 HA TYR 14 9.168 0.116 -4.070 85 HB2 TYR 14 1HB TYR 14 7.763 1.286 -1.669 86 HB3 TYR 14 2HB TYR 14 9.504 1.314 -1.878 87 HD1 TYR 14 1HD TYR 14 6.296 2.537 -3.263 88 HD2 TYR 14 2HD TYR 14 10.582 2.934 -3.275 89 HE1 TYR 14 1HE TYR 14 6.109 4.638 -4.635 90 HE2 TYR 14 2HE TYR 14 10.392 5.062 -4.557 91 HH TYR 14 HH TYR 14 8.983 6.524 -5.619 92 H CYS 15 H CYS 15 7.056 -1.617 -1.803 93 HA CYS 15 HA CYS 15 9.361 -3.356 -1.098 94 HB2 CYS 15 1HB CYS 15 9.004 -3.288 1.207 95 HB3 CYS 15 2HB CYS 15 9.073 -1.622 0.666 96 H ASP 16 H ASP 16 8.400 -5.179 0.465 97 HA ASP 16 HA ASP 16 6.938 -6.842 -1.404 98 HB2 ASP 16 1HB ASP 16 8.906 -7.549 -0.034 99 HB3 ASP 16 2HB ASP 16 7.921 -7.403 1.422 100 H PHE 17 H PHE 17 5.880 -4.824 1.174 101 HA PHE 17 HA PHE 17 3.925 -6.512 2.357 102 HB2 PHE 17 1HB PHE 17 5.133 -4.598 3.408 103 HB3 PHE 17 2HB PHE 17 4.151 -3.492 2.456 104 HD1 PHE 17 1HD PHE 17 3.742 -6.412 4.825 105 HD2 PHE 17 2HD PHE 17 2.260 -2.581 3.511 106 HE1 PHE 17 1HE PHE 17 2.026 -6.454 6.622 107 HE2 PHE 17 2HE PHE 17 0.549 -2.625 5.306 108 HZ PHE 17 HZ PHE 17 0.428 -4.561 6.866 109 H TYR 18 H TYR 18 1.708 -6.447 2.454 110 HA TYR 18 HA TYR 18 0.337 -5.634 -0.037 111 HB2 TYR 18 1HB TYR 18 -0.327 -7.756 2.031 112 HB3 TYR 18 2HB TYR 18 -1.307 -7.391 0.614 113 HD1 TYR 18 2HD TYR 18 -0.188 -7.480 -1.694 114 HD2 TYR 18 1HD TYR 18 1.474 -9.331 1.825 115 HE1 TYR 18 2HE TYR 18 1.267 -8.827 -3.122 116 HE2 TYR 18 1HE TYR 18 2.905 -10.756 0.394 117 HH TYR 18 HH TYR 18 3.398 -11.419 -1.758 118 H PHE 19 H PHE 19 -1.725 -4.864 -0.109 119 HA PHE 19 HA PHE 19 -3.084 -3.978 2.393 120 HB2 PHE 19 1HB PHE 19 -2.579 -2.294 -0.091 121 HB3 PHE 19 2HB PHE 19 -3.850 -1.936 1.055 122 HD1 PHE 19 1HD PHE 19 -0.147 -2.150 0.669 123 HD2 PHE 19 2HD PHE 19 -3.439 -0.855 3.145 124 HE1 PHE 19 1HE PHE 19 1.424 -0.877 2.104 125 HE2 PHE 19 2HE PHE 19 -1.861 0.411 4.580 126 HZ PHE 19 HZ PHE 19 0.574 0.368 4.084 127 H MET 20 H MET 20 -5.334 -4.011 2.310 128 HA MET 20 HA MET 20 -6.648 -5.478 0.104 129 HB2 MET 20 1HB MET 20 -7.244 -5.824 2.501 130 HB3 MET 20 2HB MET 20 -7.782 -4.141 2.592 131 HG2 MET 20 1HG MET 20 -9.493 -4.637 0.822 132 HG3 MET 20 2HG MET 20 -8.931 -6.310 0.790 133 HE1 MET 20 3HE MET 20 -10.908 -3.525 2.649 134 HE2 MET 20 1HE MET 20 -11.333 -4.275 4.202 135 HE3 MET 20 2HE MET 20 -9.654 -3.804 3.879 136 H LYS 21 H LYS 21 -6.224 -2.188 1.225 137 HA LYS 21 HA LYS 21 -8.198 -0.980 -0.602 138 HB2 LYS 21 1HB LYS 21 -6.330 0.120 1.540 139 HB3 LYS 21 2HB LYS 21 -7.338 1.146 0.522 140 HG2 LYS 21 1HG LYS 21 -9.379 0.056 1.337 141 HG3 LYS 21 2HG LYS 21 -8.421 -1.019 2.381 142 HD2 LYS 21 1HD LYS 21 -7.571 0.862 3.657 143 HD3 LYS 21 2HD LYS 21 -8.291 2.019 2.517 144 HE2 LYS 21 1HE LYS 21 -10.546 1.288 3.140 145 HE3 LYS 21 2HE LYS 21 -9.877 0.115 4.287 146 HZ1 LYS 21 3HZ LYS 21 -8.985 1.916 5.581 147 HZ2 LYS 21 1HZ LYS 21 -10.540 2.314 5.284 148 HZ3 LYS 21 2HZ LYS 21 -9.321 3.038 4.447 149 H ASN 22 H ASN 22 -7.650 0.876 -1.821 150 HA ASN 22 HA ASN 22 -4.905 1.207 -2.848 151 HB2 ASN 22 1HB ASN 22 -6.232 -0.330 -4.395 152 HB3 ASN 22 2HB ASN 22 -7.351 1.005 -4.667 153 HD21 ASN 22 1HD2 ASN 22 -6.559 0.337 -6.954 154 HD22 ASN 22 2HD2 ASN 22 -5.149 1.215 -7.531 155 H GLY 23 H GLY 23 -4.851 3.397 -4.103 156 HA2 GLY 23 1HA GLY 23 -5.324 5.675 -4.238 157 HA3 GLY 23 2HA GLY 23 -6.888 5.383 -3.488 158 H SER 24 H SER 24 -6.920 6.975 -1.958 159 HA SER 24 HA SER 24 -4.865 8.298 -0.807 160 HB2 SER 24 1HB SER 24 -7.533 7.790 0.552 161 HB3 SER 24 2HB SER 24 -6.448 9.170 0.814 162 HG SER 24 HG SER 24 -8.148 9.668 -0.655 163 H ASP 25 H ASP 25 -6.341 5.406 0.806 164 HA ASP 25 HA ASP 25 -4.693 5.791 3.185 165 HB2 ASP 25 1HB ASP 25 -6.500 3.551 2.245 166 HB3 ASP 25 2HB ASP 25 -5.528 3.414 3.707 167 H LEU 26 H LEU 26 -4.249 3.968 0.216 168 HA LEU 26 HA LEU 26 -1.831 2.567 1.133 169 HB2 LEU 26 1HB LEU 26 -3.120 1.559 -0.619 170 HB3 LEU 26 2HB LEU 26 -3.176 3.057 -1.546 171 HG LEU 26 HG LEU 26 -0.766 2.918 -2.002 172 HD11 LEU 26 1HD1 LEU 26 0.028 1.636 -0.046 173 HD12 LEU 26 2HD1 LEU 26 0.473 0.829 -1.546 174 HD13 LEU 26 3HD1 LEU 26 -0.905 0.230 -0.581 175 HD21 LEU 26 3HD2 LEU 26 -2.360 0.438 -2.718 176 HD22 LEU 26 1HD2 LEU 26 -0.891 1.008 -3.550 177 HD23 LEU 26 2HD2 LEU 26 -2.358 1.993 -3.579 178 H GLN 27 H GLN 27 -2.635 5.620 -0.533 179 HA GLN 27 HA GLN 27 -0.050 6.343 -1.318 180 HB2 GLN 27 1HB GLN 27 -2.336 7.368 -1.896 181 HB3 GLN 27 2HB GLN 27 -2.142 8.356 -0.436 182 HG2 GLN 27 1HG GLN 27 -0.038 9.279 -1.356 183 HG3 GLN 27 2HG GLN 27 -0.148 8.197 -2.742 184 HE21 GLN 27 1HE2 GLN 27 0.068 10.378 -3.896 185 HE22 GLN 27 2HE2 GLN 27 -1.440 11.214 -4.231 186 H ARG 28 H ARG 28 -1.495 6.629 1.894 187 HA ARG 28 HA ARG 28 0.435 8.236 3.245 188 HB2 ARG 28 1HB ARG 28 -0.901 5.754 4.403 189 HB3 ARG 28 2HB ARG 28 -0.287 7.158 5.277 190 HG2 ARG 28 1HG ARG 28 -2.072 8.555 4.170 191 HG3 ARG 28 2HG ARG 28 -2.691 7.072 3.425 192 HD2 ARG 28 1HD ARG 28 -2.880 6.089 5.766 193 HD3 ARG 28 2HD ARG 28 -2.611 7.715 6.392 194 HE ARG 28 HE ARG 28 -5.036 6.629 5.137 195 HH11 ARG 28 2HH1 ARG 28 -3.498 9.714 5.845 196 HH12 ARG 28 1HH1 ARG 28 -5.008 10.564 5.655 197 HH21 ARG 28 2HH2 ARG 28 -6.773 7.678 4.899 198 HH22 ARG 28 1HH2 ARG 28 -6.881 9.425 5.139 199 H HIS 29 H HIS 29 0.481 4.755 2.589 200 HA HIS 29 HA HIS 29 3.036 4.257 3.903 201 HB2 HIS 29 1HB HIS 29 1.283 2.578 3.811 202 HB3 HIS 29 2HB HIS 29 1.274 2.605 2.049 203 HD1 HIS 29 1HD HIS 29 3.338 1.209 4.955 204 HD2 HIS 29 2HD HIS 29 3.184 1.278 0.754 205 HE1 HIS 29 1HE HIS 29 4.958 -0.583 4.178 206 H ILE 30 H ILE 30 2.019 4.920 0.554 207 HA ILE 30 HA ILE 30 4.623 4.369 -0.606 208 HB ILE 30 HB ILE 30 2.175 5.882 -1.574 209 HG12 ILE 30 1HG1 ILE 30 3.413 3.217 -2.422 210 HG13 ILE 30 2HG1 ILE 30 2.072 3.364 -1.285 211 HG21 ILE 30 1HG2 ILE 30 3.293 5.884 -3.832 212 HG22 ILE 30 2HG2 ILE 30 4.085 6.921 -2.654 213 HG23 ILE 30 3HG2 ILE 30 4.777 5.322 -3.025 214 HD11 ILE 30 3HD1 ILE 30 2.022 4.152 -4.213 215 HD12 ILE 30 1HD1 ILE 30 1.143 2.843 -3.420 216 HD13 ILE 30 2HD1 ILE 30 0.747 4.548 -3.032 217 H TRP 31 H TRP 31 2.994 7.428 0.258 218 HA TRP 31 HA TRP 31 5.095 9.245 -0.188 219 HB2 TRP 31 1HB TRP 31 2.881 9.093 1.850 220 HB3 TRP 31 2HB TRP 31 4.047 10.396 1.927 221 HD1 TRP 31 1HD TRP 31 4.245 10.831 -1.305 222 HE1 TRP 31 1HE TRP 31 2.409 12.157 -2.429 223 HE3 TRP 31 3HE TRP 31 0.572 10.268 2.230 224 HZ2 TRP 31 2HZ TRP 31 -0.326 12.961 -1.863 225 HZ3 TRP 31 3HZ TRP 31 -1.656 11.317 1.894 226 HH2 TRP 31 2HH TRP 31 -2.114 12.667 -0.142 227 H ALA 32 H ALA 32 4.839 6.877 2.419 228 HA ALA 32 HA ALA 32 6.963 7.982 4.056 229 HB1 ALA 32 1HB ALA 32 5.153 6.492 4.903 230 HB2 ALA 32 2HB ALA 32 5.845 5.151 3.965 231 HB3 ALA 32 3HB ALA 32 6.779 5.882 5.280 232 H HIS 33 H HIS 33 6.895 5.554 1.409 233 HA HIS 33 HA HIS 33 9.748 4.954 1.548 234 HB2 HIS 33 1HB HIS 33 7.689 4.554 -0.658 235 HB3 HIS 33 2HB HIS 33 9.354 3.997 -0.717 236 HD1 HIS 33 1HD HIS 33 9.990 2.280 1.524 237 HD2 HIS 33 2HD HIS 33 6.060 2.689 0.099 238 HE1 HIS 33 1HE HIS 33 8.776 0.177 2.250 239 H GLU 34 H GLU 34 7.749 7.313 -0.244 240 HA GLU 34 HA GLU 34 9.986 8.524 -1.646 241 HB2 GLU 34 1HB GLU 34 7.213 9.591 -0.994 242 HB3 GLU 34 2HB GLU 34 8.389 10.397 -2.035 243 HG2 GLU 34 1HG GLU 34 8.444 8.347 -3.490 244 HG3 GLU 34 2HG GLU 34 7.100 7.690 -2.551 245 H GLY 35 H GLY 35 9.422 8.491 1.658 246 HA2 GLY 35 1HA GLY 35 10.664 9.461 3.320 247 HA3 GLY 35 2HA GLY 35 11.512 10.437 2.120 248 H VAL 36 H VAL 36 8.015 10.694 2.225 249 HA VAL 36 HA VAL 36 8.113 13.521 2.891 250 HB VAL 36 HB VAL 36 5.720 11.662 2.713 251 HG11 VAL 36 1HG1 VAL 36 5.891 14.704 2.585 252 HG12 VAL 36 2HG1 VAL 36 4.438 13.738 2.247 253 HG13 VAL 36 3HG1 VAL 36 5.122 13.740 3.870 254 HG21 VAL 36 3HG2 VAL 36 6.959 13.479 0.595 255 HG22 VAL 36 1HG2 VAL 36 6.942 11.705 0.561 256 HG23 VAL 36 2HG2 VAL 36 5.428 12.595 0.427 257 H LYS 37 H LYS 37 7.722 14.534 4.780 258 HA LYS 37 HA LYS 37 6.833 13.082 7.214 259 HB2 LYS 37 1HB LYS 37 9.377 14.730 6.922 260 HB3 LYS 37 2HB LYS 37 8.679 14.334 8.480 261 HG2 LYS 37 1HG LYS 37 9.459 12.105 6.557 262 HG3 LYS 37 2HG LYS 37 10.662 12.948 7.505 263 HD2 LYS 37 1HD LYS 37 10.059 10.932 8.660 264 HD3 LYS 37 2HD LYS 37 9.590 12.339 9.597 265 HE2 LYS 37 1HE LYS 37 7.877 10.691 9.815 266 HE3 LYS 37 2HE LYS 37 7.223 12.034 8.883 267 HZ1 LYS 37 3HZ LYS 37 6.663 9.852 7.925 268 HZ2 LYS 37 1HZ LYS 37 8.240 9.489 7.716 269 HZ3 LYS 37 2HZ LYS 37 7.552 10.709 6.860 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -3.652 -30.463 1.833 2 H2 GLY 1 2H GLY 1 -4.504 -31.752 1.286 3 H3 GLY 1 3H GLY 1 -5.280 -30.497 2.000 4 HA2 GLY 1 1HA GLY 1 -3.830 -30.374 -0.565 5 HA3 GLY 1 2HA GLY 1 -5.594 -30.419 -0.388 6 H SER 2 H SER 2 -4.554 -28.384 -1.813 7 HA SER 2 HA SER 2 -3.862 -26.020 -0.365 8 HB2 SER 2 1HB SER 2 -5.103 -26.283 -3.129 9 HB3 SER 2 2HB SER 2 -4.270 -24.856 -2.479 10 HG SER 2 HG SER 2 -2.887 -26.163 -3.780 11 H SER 3 H SER 3 -5.023 -24.137 0.106 12 HA SER 3 HA SER 3 -7.657 -24.465 1.135 13 HB2 SER 3 1HB SER 3 -6.142 -21.891 0.568 14 HB3 SER 3 2HB SER 3 -7.546 -22.074 1.637 15 HG SER 3 HG SER 3 -5.552 -22.130 2.792 16 H GLY 4 H GLY 4 -9.658 -23.777 0.487 17 HA2 GLY 4 1HA GLY 4 -10.148 -23.422 -2.371 18 HA3 GLY 4 2HA GLY 4 -11.344 -23.572 -1.085 19 H SER 5 H SER 5 -9.398 -21.120 -0.034 20 HA SER 5 HA SER 5 -11.365 -19.116 -0.392 21 HB2 SER 5 1HB SER 5 -8.457 -18.759 0.416 22 HB3 SER 5 2HB SER 5 -9.794 -17.638 0.733 23 HG SER 5 HG SER 5 -9.359 -18.971 2.547 24 H SER 6 H SER 6 -11.417 -17.185 -1.498 25 HA SER 6 HA SER 6 -9.454 -16.641 -3.676 26 HB2 SER 6 1HB SER 6 -12.481 -16.710 -3.993 27 HB3 SER 6 2HB SER 6 -11.343 -16.072 -5.192 28 HG SER 6 HG SER 6 -11.950 -18.256 -5.611 29 H GLY 7 H GLY 7 -9.312 -14.468 -4.327 30 HA2 GLY 7 1HA GLY 7 -10.922 -12.298 -3.491 31 HA3 GLY 7 2HA GLY 7 -9.621 -12.479 -2.310 32 H ARG 8 H ARG 8 -9.363 -10.203 -3.284 33 HA ARG 8 HA ARG 8 -7.081 -10.278 -5.177 34 HB2 ARG 8 1HB ARG 8 -9.507 -8.448 -5.498 35 HB3 ARG 8 2HB ARG 8 -7.977 -8.206 -6.330 36 HG2 ARG 8 1HG ARG 8 -9.793 -10.627 -6.689 37 HG3 ARG 8 2HG ARG 8 -9.681 -9.239 -7.768 38 HD2 ARG 8 1HD ARG 8 -7.300 -9.731 -8.209 39 HD3 ARG 8 2HD ARG 8 -7.373 -11.144 -7.162 40 HE ARG 8 HE ARG 8 -8.498 -10.846 -9.865 41 HH11 ARG 8 2HH1 ARG 8 -8.509 -12.902 -7.004 42 HH12 ARG 8 1HH1 ARG 8 -9.035 -14.291 -7.925 43 HH21 ARG 8 2HH2 ARG 8 -9.194 -12.651 -10.936 44 HH22 ARG 8 1HH2 ARG 8 -9.433 -14.143 -10.074 45 H ALA 9 H ALA 9 -5.574 -8.723 -4.878 46 HA ALA 9 HA ALA 9 -5.938 -6.474 -3.048 47 HB1 ALA 9 1HB ALA 9 -5.369 -8.313 -1.472 48 HB2 ALA 9 2HB ALA 9 -3.903 -8.666 -2.427 49 HB3 ALA 9 3HB ALA 9 -4.065 -7.116 -1.583 50 H MET 10 H MET 10 -3.715 -5.355 -2.785 51 HA MET 10 HA MET 10 -2.145 -5.416 -5.325 52 HB2 MET 10 1HB MET 10 -2.184 -3.136 -5.470 53 HB3 MET 10 2HB MET 10 -3.773 -3.450 -4.774 54 HG2 MET 10 1HG MET 10 -3.065 -1.685 -3.494 55 HG3 MET 10 2HG MET 10 -2.599 -3.032 -2.471 56 HE1 MET 10 3HE MET 10 -0.913 -1.930 -1.020 57 HE2 MET 10 1HE MET 10 -0.033 -3.358 -1.604 58 HE3 MET 10 2HE MET 10 0.778 -1.787 -1.503 59 H LYS 11 H LYS 11 0.113 -4.851 -5.101 60 HA LYS 11 HA LYS 11 1.257 -5.205 -2.359 61 HB2 LYS 11 1HB LYS 11 1.625 -7.150 -3.952 62 HB3 LYS 11 2HB LYS 11 2.640 -6.068 -4.921 63 HG2 LYS 11 1HG LYS 11 4.105 -5.680 -2.946 64 HG3 LYS 11 2HG LYS 11 3.020 -6.671 -1.953 65 HD2 LYS 11 1HD LYS 11 3.523 -8.609 -3.515 66 HD3 LYS 11 2HD LYS 11 4.780 -7.604 -4.265 67 HE2 LYS 11 1HE LYS 11 5.990 -7.398 -2.207 68 HE3 LYS 11 2HE LYS 11 4.622 -7.985 -1.254 69 HZ1 LYS 11 3HZ LYS 11 6.299 -9.662 -1.454 70 HZ2 LYS 11 1HZ LYS 11 6.206 -9.675 -3.098 71 HZ3 LYS 11 2HZ LYS 11 4.922 -10.169 -2.190 72 H CYS 12 H CYS 12 2.775 -3.811 -1.688 73 HA CYS 12 HA CYS 12 2.743 -1.194 -2.604 74 HB2 CYS 12 1HB CYS 12 3.277 -1.881 -0.351 75 HB3 CYS 12 2HB CYS 12 4.723 -2.736 -0.898 76 HA PRO 13 HA PRO 13 5.623 -1.230 -5.998 77 HB2 PRO 13 1HB PRO 13 5.973 1.503 -6.336 78 HB3 PRO 13 2HB PRO 13 4.569 0.551 -6.898 79 HG2 PRO 13 1HG PRO 13 4.798 2.268 -4.433 80 HG3 PRO 13 2HG PRO 13 3.401 2.053 -5.528 81 HD2 PRO 13 1HD PRO 13 3.601 0.800 -3.119 82 HD3 PRO 13 2HD PRO 13 2.732 0.113 -4.520 83 H TYR 14 H TYR 14 6.500 -0.422 -2.835 84 HA TYR 14 HA TYR 14 9.407 -0.206 -3.577 85 HB2 TYR 14 1HB TYR 14 7.893 1.143 -1.341 86 HB3 TYR 14 2HB TYR 14 9.639 1.170 -1.509 87 HD1 TYR 14 1HD TYR 14 6.447 2.410 -2.887 88 HD2 TYR 14 2HD TYR 14 10.747 2.537 -3.189 89 HE1 TYR 14 1HE TYR 14 6.292 4.383 -4.425 90 HE2 TYR 14 2HE TYR 14 10.585 4.533 -4.682 91 HH TYR 14 HH TYR 14 7.434 5.875 -5.725 92 H CYS 15 H CYS 15 7.070 -1.740 -1.371 93 HA CYS 15 HA CYS 15 9.284 -3.443 -0.341 94 HB2 CYS 15 1HB CYS 15 8.790 -3.112 1.916 95 HB3 CYS 15 2HB CYS 15 8.917 -1.516 1.201 96 H ASP 16 H ASP 16 8.066 -4.986 1.447 97 HA ASP 16 HA ASP 16 6.772 -6.867 -0.361 98 HB2 ASP 16 1HB ASP 16 8.694 -7.395 1.170 99 HB3 ASP 16 2HB ASP 16 7.584 -7.246 2.533 100 H PHE 17 H PHE 17 5.423 -4.513 1.618 101 HA PHE 17 HA PHE 17 3.302 -6.103 2.816 102 HB2 PHE 17 1HB PHE 17 3.924 -3.150 2.747 103 HB3 PHE 17 2HB PHE 17 2.411 -3.751 3.394 104 HD1 PHE 17 1HD PHE 17 6.121 -3.911 3.863 105 HD2 PHE 17 2HD PHE 17 2.245 -4.804 5.533 106 HE1 PHE 17 1HE PHE 17 7.179 -4.417 6.049 107 HE2 PHE 17 2HE PHE 17 3.309 -5.312 7.718 108 HZ PHE 17 HZ PHE 17 5.775 -5.119 7.981 109 H TYR 18 H TYR 18 1.132 -6.030 2.519 110 HA TYR 18 HA TYR 18 0.131 -5.291 -0.189 111 HB2 TYR 18 1HB TYR 18 -0.757 -7.477 1.726 112 HB3 TYR 18 2HB TYR 18 -1.551 -7.084 0.211 113 HD1 TYR 18 1HD TYR 18 1.607 -8.408 1.695 114 HD2 TYR 18 2HD TYR 18 -0.730 -7.870 -1.890 115 HE1 TYR 18 1HE TYR 18 3.123 -9.934 0.480 116 HE2 TYR 18 2HE TYR 18 0.770 -9.403 -3.108 117 HH TYR 18 HH TYR 18 2.545 -10.888 -2.939 118 H PHE 19 H PHE 19 -1.931 -4.498 -0.442 119 HA PHE 19 HA PHE 19 -3.600 -3.828 1.925 120 HB2 PHE 19 1HB PHE 19 -2.879 -1.838 -0.267 121 HB3 PHE 19 2HB PHE 19 -4.257 -1.678 0.770 122 HD1 PHE 19 1HD PHE 19 -0.493 -2.099 1.151 123 HD2 PHE 19 2HD PHE 19 -4.131 -0.275 2.590 124 HE1 PHE 19 1HE PHE 19 0.819 -0.737 2.739 125 HE2 PHE 19 2HE PHE 19 -2.804 1.085 4.181 126 HZ PHE 19 HZ PHE 19 -0.332 0.867 4.255 127 H MET 20 H MET 20 -5.856 -3.909 1.453 128 HA MET 20 HA MET 20 -6.588 -5.179 -1.123 129 HB2 MET 20 1HB MET 20 -7.599 -6.007 0.989 130 HB3 MET 20 2HB MET 20 -8.394 -4.426 1.189 131 HG2 MET 20 1HG MET 20 -9.528 -4.723 -0.979 132 HG3 MET 20 2HG MET 20 -8.710 -6.270 -1.211 133 HE1 MET 20 3HE MET 20 -12.459 -7.203 -0.860 134 HE2 MET 20 1HE MET 20 -11.758 -5.749 -1.610 135 HE3 MET 20 2HE MET 20 -10.984 -7.330 -1.846 136 H LYS 21 H LYS 21 -7.241 -4.069 -2.801 137 HA LYS 21 HA LYS 21 -7.646 -2.392 -4.231 138 HB2 LYS 21 1HB LYS 21 -9.441 -1.326 -2.026 139 HB3 LYS 21 2HB LYS 21 -9.449 -0.759 -3.693 140 HG2 LYS 21 1HG LYS 21 -10.019 -3.023 -4.503 141 HG3 LYS 21 2HG LYS 21 -10.094 -3.612 -2.842 142 HD2 LYS 21 1HD LYS 21 -11.853 -1.411 -4.006 143 HD3 LYS 21 2HD LYS 21 -12.322 -3.105 -3.798 144 HE2 LYS 21 1HE LYS 21 -11.965 -2.904 -1.339 145 HE3 LYS 21 2HE LYS 21 -11.542 -1.199 -1.545 146 HZ1 LYS 21 3HZ LYS 21 -13.874 -1.458 -0.930 147 HZ2 LYS 21 1HZ LYS 21 -14.176 -2.388 -2.234 148 HZ3 LYS 21 2HZ LYS 21 -13.780 -0.814 -2.426 149 H ASN 22 H ASN 22 -7.780 0.206 -4.407 150 HA ASN 22 HA ASN 22 -5.279 1.299 -3.246 151 HB2 ASN 22 1HB ASN 22 -5.860 1.530 -5.701 152 HB3 ASN 22 2HB ASN 22 -7.218 2.555 -5.231 153 HD21 ASN 22 1HD2 ASN 22 -5.986 4.056 -6.742 154 HD22 ASN 22 2HD2 ASN 22 -4.719 5.030 -6.008 155 H GLY 23 H GLY 23 -5.335 3.422 -2.126 156 HA2 GLY 23 1HA GLY 23 -7.701 4.652 -1.163 157 HA3 GLY 23 2HA GLY 23 -7.190 3.478 0.049 158 H SER 24 H SER 24 -7.331 5.980 0.883 159 HA SER 24 HA SER 24 -5.097 7.688 0.451 160 HB2 SER 24 1HB SER 24 -5.882 8.823 2.526 161 HB3 SER 24 2HB SER 24 -7.157 8.551 1.326 162 HG SER 24 HG SER 24 -7.872 7.974 3.411 163 H ASP 25 H ASP 25 -5.575 5.126 2.926 164 HA ASP 25 HA ASP 25 -3.158 5.811 4.315 165 HB2 ASP 25 1HB ASP 25 -5.220 4.474 5.136 166 HB3 ASP 25 2HB ASP 25 -4.429 3.069 4.413 167 H LEU 26 H LEU 26 -3.720 3.749 1.511 168 HA LEU 26 HA LEU 26 -1.024 2.633 1.450 169 HB2 LEU 26 1HB LEU 26 -2.792 1.494 0.247 170 HB3 LEU 26 2HB LEU 26 -3.172 2.949 -0.677 171 HG LEU 26 HG LEU 26 -0.965 2.858 -1.792 172 HD11 LEU 26 1HD1 LEU 26 0.398 1.709 -0.096 173 HD12 LEU 26 2HD1 LEU 26 0.417 0.799 -1.607 174 HD13 LEU 26 3HD1 LEU 26 -0.604 0.257 -0.258 175 HD21 LEU 26 3HD2 LEU 26 -2.501 0.250 -1.967 176 HD22 LEU 26 1HD2 LEU 26 -1.388 0.925 -3.186 177 HD23 LEU 26 2HD2 LEU 26 -2.900 1.763 -2.813 178 H GLN 27 H GLN 27 -2.640 5.543 0.055 179 HA GLN 27 HA GLN 27 -0.386 6.503 -1.377 180 HB2 GLN 27 1HB GLN 27 -2.720 7.266 -1.650 181 HB3 GLN 27 2HB GLN 27 -2.645 8.084 -0.085 182 HG2 GLN 27 1HG GLN 27 -0.903 9.573 -0.887 183 HG3 GLN 27 2HG GLN 27 -0.792 8.689 -2.418 184 HE21 GLN 27 1HE2 GLN 27 -3.097 10.637 -0.412 185 HE22 GLN 27 2HE2 GLN 27 -4.016 11.204 -1.799 186 H ARG 28 H ARG 28 -1.320 7.079 2.058 187 HA ARG 28 HA ARG 28 0.952 8.664 2.840 188 HB2 ARG 28 1HB ARG 28 -0.580 6.562 4.441 189 HB3 ARG 28 2HB ARG 28 0.557 7.725 5.120 190 HG2 ARG 28 1HG ARG 28 -0.865 9.580 4.491 191 HG3 ARG 28 2HG ARG 28 -1.990 8.502 3.664 192 HD2 ARG 28 1HD ARG 28 -2.226 7.255 5.897 193 HD3 ARG 28 2HD ARG 28 -1.414 8.631 6.645 194 HE ARG 28 HE ARG 28 -3.281 10.042 5.617 195 HH11 ARG 28 2HH1 ARG 28 -3.965 6.684 6.585 196 HH12 ARG 28 1HH1 ARG 28 -5.666 7.040 6.713 197 HH21 ARG 28 2HH2 ARG 28 -5.451 10.337 5.836 198 HH22 ARG 28 1HH2 ARG 28 -6.472 9.015 6.315 199 H HIS 29 H HIS 29 0.507 5.145 2.992 200 HA HIS 29 HA HIS 29 3.074 4.431 3.924 201 HB2 HIS 29 1HB HIS 29 1.168 2.908 3.881 202 HB3 HIS 29 2HB HIS 29 1.154 2.906 2.120 203 HD1 HIS 29 1HD HIS 29 3.019 1.330 5.042 204 HD2 HIS 29 2HD HIS 29 3.076 1.507 0.841 205 HE1 HIS 29 1HE HIS 29 4.602 -0.510 4.296 206 H ILE 30 H ILE 30 2.055 4.965 0.531 207 HA ILE 30 HA ILE 30 4.652 4.296 -0.592 208 HB ILE 30 HB ILE 30 2.162 5.660 -1.654 209 HG12 ILE 30 1HG1 ILE 30 3.540 3.009 -2.331 210 HG13 ILE 30 2HG1 ILE 30 2.193 3.167 -1.203 211 HG21 ILE 30 1HG2 ILE 30 4.012 6.724 -2.825 212 HG22 ILE 30 2HG2 ILE 30 4.787 5.149 -3.087 213 HG23 ILE 30 3HG2 ILE 30 3.272 5.572 -3.921 214 HD11 ILE 30 3HD1 ILE 30 0.849 4.217 -3.056 215 HD12 ILE 30 1HD1 ILE 30 2.145 3.715 -4.179 216 HD13 ILE 30 2HD1 ILE 30 1.249 2.487 -3.275 217 H TRP 31 H TRP 31 3.016 7.449 -0.055 218 HA TRP 31 HA TRP 31 5.118 9.176 -0.733 219 HB2 TRP 31 1HB TRP 31 3.021 9.342 1.447 220 HB3 TRP 31 2HB TRP 31 4.149 10.640 1.120 221 HD1 TRP 31 1HD TRP 31 3.801 9.908 -2.205 222 HE1 TRP 31 1HE TRP 31 1.960 11.182 -3.358 223 HE3 TRP 31 3HE TRP 31 1.033 11.186 1.919 224 HZ2 TRP 31 2HZ TRP 31 -0.426 12.679 -2.611 225 HZ3 TRP 31 3HZ TRP 31 -1.023 12.563 1.659 226 HH2 TRP 31 2HH TRP 31 -1.750 13.324 -0.591 227 H ALA 32 H ALA 32 4.813 7.246 2.221 228 HA ALA 32 HA ALA 32 7.006 8.405 3.675 229 HB1 ALA 32 1HB ALA 32 5.209 7.058 4.704 230 HB2 ALA 32 2HB ALA 32 5.802 5.614 3.850 231 HB3 ALA 32 3HB ALA 32 6.816 6.400 5.073 232 H HIS 33 H HIS 33 6.905 5.740 1.270 233 HA HIS 33 HA HIS 33 9.749 5.114 1.494 234 HB2 HIS 33 1HB HIS 33 7.733 4.510 -0.699 235 HB3 HIS 33 2HB HIS 33 9.378 3.899 -0.620 236 HD1 HIS 33 1HD HIS 33 9.827 2.454 1.892 237 HD2 HIS 33 2HD HIS 33 6.051 2.749 0.088 238 HE1 HIS 33 1HE HIS 33 8.510 0.449 2.719 239 H GLU 34 H GLU 34 7.794 7.400 -0.415 240 HA GLU 34 HA GLU 34 10.015 8.246 -2.113 241 HB2 GLU 34 1HB GLU 34 7.291 9.485 -1.562 242 HB3 GLU 34 2HB GLU 34 8.468 10.119 -2.712 243 HG2 GLU 34 1HG GLU 34 8.470 7.887 -3.875 244 HG3 GLU 34 2HG GLU 34 7.112 7.403 -2.855 245 H GLY 35 H GLY 35 9.569 8.750 1.171 246 HA2 GLY 35 1HA GLY 35 10.782 10.034 2.650 247 HA3 GLY 35 2HA GLY 35 11.703 10.699 1.297 248 H VAL 36 H VAL 36 8.179 10.889 1.742 249 HA VAL 36 HA VAL 36 7.865 13.601 1.172 250 HB VAL 36 HB VAL 36 6.119 11.893 1.147 251 HG11 VAL 36 1HG1 VAL 36 5.995 12.182 4.181 252 HG12 VAL 36 2HG1 VAL 36 4.886 11.247 3.169 253 HG13 VAL 36 3HG1 VAL 36 6.577 10.754 3.300 254 HG21 VAL 36 3HG2 VAL 36 4.256 13.238 1.802 255 HG22 VAL 36 1HG2 VAL 36 5.262 14.237 2.866 256 HG23 VAL 36 2HG2 VAL 36 5.502 14.277 1.100 257 H LYS 37 H LYS 37 7.468 15.471 2.334 258 HA LYS 37 HA LYS 37 8.436 15.631 5.162 259 HB2 LYS 37 1HB LYS 37 9.119 17.506 2.859 260 HB3 LYS 37 2HB LYS 37 9.516 17.776 4.560 261 HG2 LYS 37 1HG LYS 37 10.893 15.698 4.572 262 HG3 LYS 37 2HG LYS 37 10.532 15.463 2.849 263 HD2 LYS 37 1HD LYS 37 11.590 17.646 2.325 264 HD3 LYS 37 2HD LYS 37 11.991 17.856 4.046 265 HE2 LYS 37 1HE LYS 37 13.327 15.765 3.987 266 HE3 LYS 37 2HE LYS 37 12.911 15.536 2.284 267 HZ1 LYS 37 3HZ LYS 37 14.079 17.619 1.788 268 HZ2 LYS 37 1HZ LYS 37 15.091 16.577 2.531 269 HZ3 LYS 37 2HZ LYS 37 14.462 17.832 3.363
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