NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14465 | 1wt7 | 6389 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H TRP 1 HT1 TRP 1 7.846 1.292 10.807 2 2H TRP 1 HT2 TRP 1 7.636 1.186 9.104 3 3H TRP 1 HT3 TRP 1 7.320 -0.176 10.091 4 HA TRP 1 HA TRP 1 5.309 0.820 9.390 5 1HB TRP 1 HB2 TRP 1 5.976 1.208 12.306 6 2HB TRP 1 HB1 TRP 1 4.339 1.329 11.670 7 HD1 TRP 1 HD1 TRP 1 3.586 -1.033 10.217 8 HE1 TRP 1 HE1 TRP 1 3.871 -3.459 11.023 9 HE3 TRP 1 HE3 TRP 1 7.221 -0.296 13.731 10 HZ2 TRP 1 HZ2 TRP 1 5.422 -4.873 12.905 11 HZ3 TRP 1 HZ3 TRP 1 8.050 -2.239 14.991 12 HH2 TRP 1 HH2 TRP 1 7.164 -4.479 14.589 13 H CYS 2 HN CYS 2 3.999 2.589 9.111 14 HA CYS 2 HA CYS 2 5.336 5.176 9.214 15 1HB CYS 2 HB2 CYS 2 3.463 5.972 7.851 16 2HB CYS 2 HB1 CYS 2 4.220 4.567 7.140 17 H SER 3 HN SER 3 4.936 6.667 10.723 18 HA SER 3 HA SER 3 3.030 6.017 12.817 19 1HB SER 3 HB2 SER 3 3.984 8.126 13.855 20 2HB SER 3 HB1 SER 3 5.141 6.832 13.542 21 HG SER 3 HG SER 3 5.767 9.021 12.862 22 H THR 4 HN THR 4 3.309 8.211 10.112 23 HA THR 4 HA THR 4 1.028 9.809 10.944 24 HB THR 4 HB THR 4 2.415 9.888 8.240 25 HG1 THR 4 HG1 THR 4 3.222 11.192 10.666 26 1HG2 THR 4 HG21 THR 4 0.354 11.219 8.479 27 2HG2 THR 4 HG22 THR 4 1.774 12.247 8.319 28 3HG2 THR 4 HG23 THR 4 1.034 12.009 9.900 29 H CYS 5 HN CYS 5 0.125 7.304 10.894 30 HA CYS 5 HA CYS 5 -1.552 7.201 8.495 31 1HB CYS 5 HB2 CYS 5 -0.067 4.870 9.706 32 2HB CYS 5 HB1 CYS 5 -1.316 4.724 8.471 33 H LEU 6 HN LEU 6 -3.410 7.838 9.474 34 HA LEU 6 HA LEU 6 -4.347 6.143 11.711 35 1HB LEU 6 HB2 LEU 6 -4.228 8.571 12.211 36 2HB LEU 6 HB1 LEU 6 -5.334 8.887 10.898 37 HG LEU 6 HG LEU 6 -7.032 7.446 12.087 38 1HD1 LEU 6 HD11 LEU 6 -5.523 6.133 13.447 39 2HD1 LEU 6 HD12 LEU 6 -6.646 7.014 14.475 40 3HD1 LEU 6 HD13 LEU 6 -4.985 7.582 14.297 41 1HD2 LEU 6 HD21 LEU 6 -6.015 9.851 13.600 42 2HD2 LEU 6 HD22 LEU 6 -7.630 9.150 13.718 43 3HD2 LEU 6 HD23 LEU 6 -7.099 9.887 12.208 44 H ASP 7 HN ASP 7 -5.874 8.121 9.186 45 HA ASP 7 HA ASP 7 -7.072 5.753 7.996 46 1HB ASP 7 HB2 ASP 7 -8.679 6.431 9.762 47 2HB ASP 7 HB1 ASP 7 -8.794 8.029 9.032 48 H LEU 8 HN LEU 8 -6.062 6.136 6.100 49 HA LEU 8 HA LEU 8 -6.308 8.799 4.871 50 1HB LEU 8 HB2 LEU 8 -4.559 6.445 4.150 51 2HB LEU 8 HB1 LEU 8 -4.632 7.958 3.264 52 HG LEU 8 HG LEU 8 -3.901 9.099 5.439 53 1HD1 LEU 8 HD11 LEU 8 -3.320 6.228 6.138 54 2HD1 LEU 8 HD12 LEU 8 -4.236 7.419 7.063 55 3HD1 LEU 8 HD13 LEU 8 -2.504 7.598 6.882 56 1HD2 LEU 8 HD21 LEU 8 -1.992 7.233 4.037 57 2HD2 LEU 8 HD22 LEU 8 -1.555 8.665 4.972 58 3HD2 LEU 8 HD23 LEU 8 -2.473 8.836 3.478 59 H ALA 9 HN ALA 9 -8.655 7.376 4.963 60 HA ALA 9 HA ALA 9 -9.248 5.595 2.957 61 1HB ALA 9 HB1 ALA 9 -11.581 6.279 3.264 62 2HB ALA 9 HB2 ALA 9 -11.039 7.690 4.173 63 3HB ALA 9 HB3 ALA 9 -10.739 6.069 4.798 64 H CYS 10 HN CYS 10 -8.108 6.282 1.095 65 HA CYS 10 HA CYS 10 -7.839 7.226 -0.902 66 1HB CYS 10 HB2 CYS 10 -10.788 7.748 -0.533 67 2HB CYS 10 HB1 CYS 10 -9.946 8.275 -1.980 68 H THR 11 HN THR 11 -6.767 8.611 1.051 69 HA THR 11 HA THR 11 -7.420 11.436 0.713 70 HB THR 11 HB THR 11 -4.929 10.207 1.971 71 HG1 THR 11 HG1 THR 11 -7.413 10.902 3.223 72 1HG2 THR 11 HG21 THR 11 -6.238 12.918 2.248 73 2HG2 THR 11 HG22 THR 11 -4.680 12.563 1.502 74 3HG2 THR 11 HG23 THR 11 -4.898 12.336 3.234 75 H GLY 12 HN GLY 12 -5.812 8.939 -0.867 76 1HA GLY 12 HA2 GLY 12 -5.241 9.818 -3.207 77 2HA GLY 12 HA1 GLY 12 -3.974 10.675 -2.335 78 H SER 13 HN SER 13 -4.425 8.034 -4.158 79 HA SER 13 HA SER 13 -3.162 5.963 -2.711 80 1HB SER 13 HB2 SER 13 -3.045 6.486 -5.694 81 2HB SER 13 HB1 SER 13 -2.718 4.951 -4.882 82 HG SER 13 HG SER 13 -4.884 5.223 -5.779 83 H LYS 14 HN LYS 14 -1.879 8.546 -4.780 84 HA LYS 14 HA LYS 14 0.845 7.827 -4.531 85 1HB LYS 14 HB2 LYS 14 -0.418 10.503 -5.100 86 2HB LYS 14 HB1 LYS 14 1.298 10.144 -5.284 87 1HG LYS 14 HG2 LYS 14 0.784 8.490 -6.995 88 2HG LYS 14 HG1 LYS 14 -0.941 8.818 -6.803 89 1HD LYS 14 HD2 LYS 14 -0.561 11.148 -7.493 90 2HD LYS 14 HD1 LYS 14 1.156 10.796 -7.707 91 1HE LYS 14 HE2 LYS 14 0.614 9.165 -9.438 92 2HE LYS 14 HE1 LYS 14 -1.108 9.475 -9.206 93 1HZ LYS 14 HZ1 LYS 14 -0.241 10.676 -11.100 94 2HZ LYS 14 HZ2 LYS 14 0.900 11.460 -10.130 95 3HZ LYS 14 HZ3 LYS 14 -0.753 11.759 -9.907 96 H ASP 15 HN ASP 15 -1.368 9.519 -2.461 97 HA ASP 15 HA ASP 15 0.614 10.684 -0.756 98 1HB ASP 15 HB2 ASP 15 -1.811 11.439 -0.901 99 2HB ASP 15 HB1 ASP 15 -2.245 9.999 0.010 100 H CYS 16 HN CYS 16 -1.317 7.732 -0.804 101 HA CYS 16 HA CYS 16 -0.332 6.757 1.705 102 1HB CYS 16 HB2 CYS 16 -1.915 5.449 -0.506 103 2HB CYS 16 HB1 CYS 16 -1.515 4.649 1.012 104 H TYR 17 HN TYR 17 0.933 6.753 -1.473 105 HA TYR 17 HA TYR 17 2.363 4.360 -1.577 106 1HB TYR 17 HB2 TYR 17 2.907 7.125 -2.643 107 2HB TYR 17 HB1 TYR 17 4.099 5.856 -2.854 108 HD1 TYR 17 HD1 TYR 17 3.325 6.950 -5.266 109 HD2 TYR 17 HD2 TYR 17 1.142 4.090 -2.971 110 HE1 TYR 17 HE1 TYR 17 2.185 6.171 -7.296 111 HE2 TYR 17 HE2 TYR 17 0.025 3.330 -4.987 112 HH TYR 17 HH TYR 17 -0.378 4.813 -7.562 113 H ALA 18 HN ALA 18 3.289 7.414 -0.025 114 HA ALA 18 HA ALA 18 5.831 6.476 0.809 115 1HB ALA 18 HB1 ALA 18 5.387 8.447 2.583 116 2HB ALA 18 HB2 ALA 18 4.173 8.855 1.369 117 3HB ALA 18 HB3 ALA 18 5.863 8.712 0.909 118 HA PRO 19 HA PRO 19 3.558 5.630 5.177 119 1HB PRO 19 HB2 PRO 19 0.918 5.051 3.862 120 2HB PRO 19 HB1 PRO 19 1.278 5.639 5.459 121 1HG PRO 19 HG2 PRO 19 0.434 7.307 3.622 122 2HG PRO 19 HG1 PRO 19 1.706 7.794 4.755 123 1HD PRO 19 HD2 PRO 19 1.939 7.015 1.906 124 2HD PRO 19 HD1 PRO 19 2.849 8.195 2.831 125 H CYS 20 HN CYS 20 2.292 4.041 2.228 126 HA CYS 20 HA CYS 20 2.307 1.427 3.293 127 1HB CYS 20 HB2 CYS 20 1.031 2.035 1.291 128 2HB CYS 20 HB1 CYS 20 2.526 2.314 0.406 129 H ARG 21 HN ARG 21 4.734 3.273 1.483 130 HA ARG 21 HA ARG 21 6.683 1.244 1.241 131 1HB ARG 21 HB2 ARG 21 6.883 3.317 0.026 132 2HB ARG 21 HB1 ARG 21 6.946 4.243 1.488 133 1HG ARG 21 HG2 ARG 21 9.097 3.018 2.030 134 2HG ARG 21 HG1 ARG 21 9.032 2.392 0.383 135 1HD ARG 21 HD2 ARG 21 9.062 5.297 1.155 136 2HD ARG 21 HD1 ARG 21 10.460 4.380 0.649 137 HE ARG 21 HE ARG 21 9.361 4.055 -1.527 138 1HH1 ARG 21 HH11 ARG 21 8.333 6.755 0.484 139 2HH1 ARG 21 HH12 ARG 21 7.793 7.683 -0.854 140 1HH2 ARG 21 HH21 ARG 21 8.660 5.338 -3.289 141 2HH2 ARG 21 HH22 ARG 21 7.969 6.898 -2.991 142 H LYS 22 HN LYS 22 6.063 3.673 3.743 143 HA LYS 22 HA LYS 22 8.262 2.892 5.381 144 1HB LYS 22 HB2 LYS 22 7.108 5.150 5.292 145 2HB LYS 22 HB1 LYS 22 5.819 4.441 6.239 146 1HG LYS 22 HG2 LYS 22 7.389 3.961 8.042 147 2HG LYS 22 HG1 LYS 22 8.700 4.625 7.062 148 1HD LYS 22 HD2 LYS 22 7.468 6.792 7.012 149 2HD LYS 22 HD1 LYS 22 6.311 6.121 8.136 150 1HE LYS 22 HE2 LYS 22 7.971 7.453 9.300 151 2HE LYS 22 HE1 LYS 22 8.119 5.759 9.765 152 1HZ LYS 22 HZ1 LYS 22 10.239 6.981 9.250 153 2HZ LYS 22 HZ2 LYS 22 9.784 6.963 7.623 154 3HZ LYS 22 HZ3 LYS 22 10.028 5.507 8.455 155 H GLN 23 HN GLN 23 5.109 1.613 4.939 156 HA GLN 23 HA GLN 23 5.007 0.364 7.553 157 1HB GLN 23 HB2 GLN 23 3.067 1.239 5.802 158 2HB GLN 23 HB1 GLN 23 3.034 -0.484 5.537 159 1HG GLN 23 HG2 GLN 23 2.943 0.626 8.323 160 2HG GLN 23 HG1 GLN 23 1.510 0.645 7.306 161 1HE2 GLN 23 HE21 GLN 23 3.926 -1.963 7.309 162 2HE2 GLN 23 HE22 GLN 23 2.875 -3.130 7.924 163 H THR 24 HN THR 24 4.985 -0.737 4.149 164 HA THR 24 HA THR 24 5.691 -3.425 5.111 165 HB THR 24 HB THR 24 5.004 -4.178 2.874 166 HG1 THR 24 HG1 THR 24 4.402 -2.752 1.323 167 1HG2 THR 24 HG21 THR 24 2.989 -2.359 4.169 168 2HG2 THR 24 HG22 THR 24 3.318 -4.033 4.620 169 3HG2 THR 24 HG23 THR 24 2.633 -3.665 3.038 170 H GLY 25 HN GLY 25 7.002 -0.819 3.158 171 1HA GLY 25 HA2 GLY 25 9.412 -0.771 2.795 172 2HA GLY 25 HA1 GLY 25 9.369 -2.509 2.547 173 H CYS 26 HN CYS 26 6.642 -1.876 1.142 174 HA CYS 26 HA CYS 26 7.839 -1.129 -1.433 175 1HB CYS 26 HB2 CYS 26 5.639 -3.082 -0.831 176 2HB CYS 26 HB1 CYS 26 6.050 -2.548 -2.448 177 HA PRO 27 HA PRO 27 4.939 2.237 -0.959 178 1HB PRO 27 HB2 PRO 27 5.774 3.737 -2.996 179 2HB PRO 27 HB1 PRO 27 6.854 3.390 -1.662 180 1HG PRO 27 HG2 PRO 27 6.698 2.017 -4.312 181 2HG PRO 27 HG1 PRO 27 8.123 2.667 -3.478 182 1HD PRO 27 HD2 PRO 27 7.412 0.038 -3.382 183 2HD PRO 27 HD1 PRO 27 8.281 0.864 -2.071 184 H ASN 28 HN ASN 28 4.115 -0.239 -2.599 185 HA ASN 28 HA ASN 28 2.500 1.088 -4.665 186 1HB ASN 28 HB2 ASN 28 3.993 -0.703 -5.409 187 2HB ASN 28 HB1 ASN 28 3.211 -1.825 -4.302 188 1HD2 ASN 28 HD21 ASN 28 2.607 -3.195 -5.972 189 2HD2 ASN 28 HD22 ASN 28 1.344 -2.782 -7.075 190 H ALA 29 HN ALA 29 0.576 1.670 -3.876 191 HA ALA 29 HA ALA 29 -1.117 -0.339 -2.587 192 1HB ALA 29 HB1 ALA 29 -1.337 2.233 -1.219 193 2HB ALA 29 HB2 ALA 29 0.246 1.493 -1.033 194 3HB ALA 29 HB3 ALA 29 -1.197 0.599 -0.575 195 H LYS 30 HN LYS 30 -3.359 0.382 -2.369 196 HA LYS 30 HA LYS 30 -4.180 2.672 -3.993 197 1HB LYS 30 HB2 LYS 30 -4.175 0.798 -5.595 198 2HB LYS 30 HB1 LYS 30 -5.198 -0.141 -4.514 199 1HG LYS 30 HG2 LYS 30 -6.964 1.589 -4.761 200 2HG LYS 30 HG1 LYS 30 -5.933 2.428 -5.919 201 1HD LYS 30 HD2 LYS 30 -6.871 -0.429 -6.235 202 2HD LYS 30 HD1 LYS 30 -7.706 0.965 -6.916 203 1HE LYS 30 HE2 LYS 30 -5.658 1.544 -8.172 204 2HE LYS 30 HE1 LYS 30 -4.897 0.093 -7.550 205 1HZ LYS 30 HZ1 LYS 30 -6.602 -1.233 -8.645 206 2HZ LYS 30 HZ2 LYS 30 -5.780 -0.262 -9.758 207 3HZ LYS 30 HZ3 LYS 30 -7.330 0.175 -9.243 208 H CYS 31 HN CYS 31 -6.137 3.551 -3.265 209 HA CYS 31 HA CYS 31 -6.929 2.613 -0.650 210 1HB CYS 31 HB2 CYS 31 -8.183 4.617 -0.423 211 2HB CYS 31 HB1 CYS 31 -6.622 5.005 -1.107 212 H ILE 32 HN ILE 32 -8.235 0.976 -0.507 213 HA ILE 32 HA ILE 32 -10.843 1.048 -1.841 214 HB ILE 32 HB ILE 32 -10.651 -1.453 -2.257 215 1HG1 ILE 32 HG12 ILE 32 -7.689 -0.886 -1.931 216 2HG1 ILE 32 HG11 ILE 32 -8.670 -1.847 -0.830 217 1HG2 ILE 32 HG21 ILE 32 -10.549 0.209 -4.066 218 2HG2 ILE 32 HG22 ILE 32 -9.594 -1.228 -4.410 219 3HG2 ILE 32 HG23 ILE 32 -8.794 0.260 -3.899 220 1HD1 ILE 32 HD11 ILE 32 -7.441 -2.561 -3.361 221 2HD1 ILE 32 HD12 ILE 32 -9.121 -3.086 -3.227 222 3HD1 ILE 32 HD13 ILE 32 -7.944 -3.570 -2.010 223 H ASN 33 HN ASN 33 -12.416 -0.276 -0.671 224 HA ASN 33 HA ASN 33 -13.386 -1.045 1.238 225 1HB ASN 33 HB2 ASN 33 -11.848 -2.890 1.090 226 2HB ASN 33 HB1 ASN 33 -10.535 -1.959 1.763 227 1HD2 ASN 33 HD21 ASN 33 -10.292 -1.823 3.944 228 2HD2 ASN 33 HD22 ASN 33 -11.305 -2.676 5.052 229 H LYS 34 HN LYS 34 -12.124 1.669 0.945 230 HA LYS 34 HA LYS 34 -11.933 3.576 2.056 231 1HB LYS 34 HB2 LYS 34 -14.005 2.692 3.227 232 2HB LYS 34 HB1 LYS 34 -12.955 2.167 4.536 233 1HG LYS 34 HG2 LYS 34 -12.250 4.467 4.907 234 2HG LYS 34 HG1 LYS 34 -13.257 4.997 3.565 235 1HD LYS 34 HD2 LYS 34 -15.248 4.235 4.749 236 2HD LYS 34 HD1 LYS 34 -14.244 3.672 6.090 237 1HE LYS 34 HE2 LYS 34 -14.365 6.536 5.140 238 2HE LYS 34 HE1 LYS 34 -15.322 5.884 6.467 239 1HZ LYS 34 HZ1 LYS 34 -12.360 6.050 6.350 240 2HZ LYS 34 HZ2 LYS 34 -13.225 5.296 7.594 241 3HZ LYS 34 HZ3 LYS 34 -13.388 6.959 7.335 242 H SER 35 HN SER 35 -9.765 1.622 1.961 243 HA SER 35 HA SER 35 -8.032 2.980 3.834 244 1HB SER 35 HB2 SER 35 -7.030 0.764 4.609 245 2HB SER 35 HB1 SER 35 -8.617 1.162 5.261 246 HG SER 35 HG SER 35 -8.267 -1.051 4.399 247 H CYS 36 HN CYS 36 -5.818 2.882 3.206 248 HA CYS 36 HA CYS 36 -5.464 2.267 0.381 249 1HB CYS 36 HB2 CYS 36 -3.633 3.487 2.435 250 2HB CYS 36 HB1 CYS 36 -3.141 3.154 0.775 251 H LYS 37 HN LYS 37 -5.561 0.094 0.160 252 HA LYS 37 HA LYS 37 -4.069 -1.640 1.917 253 1HB LYS 37 HB2 LYS 37 -6.299 -2.201 0.890 254 2HB LYS 37 HB1 LYS 37 -5.479 -2.366 -0.655 255 1HG LYS 37 HG2 LYS 37 -3.977 -4.090 0.556 256 2HG LYS 37 HG1 LYS 37 -5.185 -4.026 1.837 257 1HD LYS 37 HD2 LYS 37 -5.708 -5.876 0.430 258 2HD LYS 37 HD1 LYS 37 -6.922 -4.629 0.139 259 1HE LYS 37 HE2 LYS 37 -5.824 -3.971 -1.899 260 2HE LYS 37 HE1 LYS 37 -4.467 -5.044 -1.571 261 1HZ LYS 37 HZ1 LYS 37 -5.973 -5.991 -3.183 262 2HZ LYS 37 HZ2 LYS 37 -7.262 -5.899 -2.093 263 3HZ LYS 37 HZ3 LYS 37 -5.956 -6.931 -1.777 264 H CYS 38 HN CYS 38 -2.155 -2.565 1.543 265 HA CYS 38 HA CYS 38 -0.634 -1.744 -0.824 266 1HB CYS 38 HB2 CYS 38 0.178 -3.224 1.689 267 2HB CYS 38 HB1 CYS 38 1.279 -2.737 0.405 268 H TYR 39 HN TYR 39 0.323 -3.244 -2.236 269 HA TYR 39 HA TYR 39 -1.264 -5.637 -2.619 270 1HB TYR 39 HB2 TYR 39 1.069 -4.538 -4.202 271 2HB TYR 39 HB1 TYR 39 0.060 -5.895 -4.692 272 HD1 TYR 39 HD1 TYR 39 -2.153 -5.537 -5.592 273 HD2 TYR 39 HD2 TYR 39 0.160 -2.269 -4.211 274 HE1 TYR 39 HE1 TYR 39 -3.678 -3.977 -6.719 275 HE2 TYR 39 HE2 TYR 39 -1.349 -0.693 -5.315 276 HH TYR 39 HH TYR 39 -3.188 -1.264 -7.633 277 H GLY 40 HN GLY 40 0.788 -5.384 -0.338 278 1HA GLY 40 HA2 GLY 40 1.837 -7.051 0.812 279 2HA GLY 40 HA1 GLY 40 1.845 -8.055 -0.629 280 H CYS 41 HN CYS 41 4.000 -7.570 1.207 281 HA CYS 41 HA CYS 41 6.048 -7.032 -0.734 282 1HB CYS 41 HB2 CYS 41 5.405 -4.734 0.058 283 2HB CYS 41 HB1 CYS 41 5.893 -5.198 1.664 Start of MODEL 2 1 1H TRP 1 HT1 TRP 1 8.545 0.917 10.408 2 2H TRP 1 HT2 TRP 1 8.503 1.089 8.698 3 3H TRP 1 HT3 TRP 1 8.356 -0.458 9.404 4 HA TRP 1 HA TRP 1 6.280 0.252 8.688 5 1HB TRP 1 HB2 TRP 1 6.783 0.098 11.613 6 2HB TRP 1 HB1 TRP 1 5.152 0.491 11.076 7 HD1 TRP 1 HD1 TRP 1 7.789 -2.268 10.304 8 HE1 TRP 1 HE1 TRP 1 6.537 -4.488 10.014 9 HE3 TRP 1 HE3 TRP 1 3.005 -0.584 10.929 10 HZ2 TRP 1 HZ2 TRP 1 3.870 -5.414 10.054 11 HZ3 TRP 1 HZ3 TRP 1 1.160 -2.204 10.795 12 HH2 TRP 1 HH2 TRP 1 1.585 -4.571 10.366 13 H CYS 2 HN CYS 2 4.488 1.748 8.855 14 HA CYS 2 HA CYS 2 5.478 4.496 8.870 15 1HB CYS 2 HB2 CYS 2 3.289 5.031 7.844 16 2HB CYS 2 HB1 CYS 2 4.235 3.854 6.962 17 H SER 3 HN SER 3 5.575 5.281 10.897 18 HA SER 3 HA SER 3 3.627 4.792 12.931 19 1HB SER 3 HB2 SER 3 4.814 6.886 13.942 20 2HB SER 3 HB1 SER 3 5.734 5.399 13.725 21 HG SER 3 HG SER 3 6.765 7.365 12.940 22 H THR 4 HN THR 4 3.891 7.015 10.276 23 HA THR 4 HA THR 4 1.968 8.898 11.307 24 HB THR 4 HB THR 4 2.907 8.751 8.424 25 HG1 THR 4 HG1 THR 4 4.825 9.617 9.008 26 1HG2 THR 4 HG21 THR 4 2.877 11.252 8.762 27 2HG2 THR 4 HG22 THR 4 2.076 10.968 10.305 28 3HG2 THR 4 HG23 THR 4 1.302 10.469 8.800 29 H CYS 5 HN CYS 5 1.464 5.841 10.343 30 HA CYS 5 HA CYS 5 -0.710 6.274 8.498 31 1HB CYS 5 HB2 CYS 5 0.476 3.854 9.824 32 2HB CYS 5 HB1 CYS 5 -1.080 3.748 9.019 33 H LEU 6 HN LEU 6 -1.751 7.821 9.976 34 HA LEU 6 HA LEU 6 -3.268 6.622 12.167 35 1HB LEU 6 HB2 LEU 6 -3.111 9.422 11.046 36 2HB LEU 6 HB1 LEU 6 -4.312 8.963 12.233 37 HG LEU 6 HG LEU 6 -2.579 10.058 13.406 38 1HD1 LEU 6 HD11 LEU 6 -1.903 8.423 14.996 39 2HD1 LEU 6 HD12 LEU 6 -2.104 7.112 13.838 40 3HD1 LEU 6 HD13 LEU 6 -3.515 7.991 14.433 41 1HD2 LEU 6 HD21 LEU 6 -0.256 9.496 13.302 42 2HD2 LEU 6 HD22 LEU 6 -0.825 9.791 11.661 43 3HD2 LEU 6 HD23 LEU 6 -0.572 8.139 12.224 44 H ASP 7 HN ASP 7 -4.132 8.574 9.310 45 HA ASP 7 HA ASP 7 -6.160 6.616 8.574 46 1HB ASP 7 HB2 ASP 7 -7.471 7.949 10.072 47 2HB ASP 7 HB1 ASP 7 -6.857 9.447 9.374 48 H LEU 8 HN LEU 8 -6.040 6.366 6.445 49 HA LEU 8 HA LEU 8 -5.343 8.697 4.758 50 1HB LEU 8 HB2 LEU 8 -4.345 5.852 4.453 51 2HB LEU 8 HB1 LEU 8 -4.148 7.104 3.249 52 HG LEU 8 HG LEU 8 -2.076 6.941 4.295 53 1HD1 LEU 8 HD11 LEU 8 -1.722 9.089 5.303 54 2HD1 LEU 8 HD12 LEU 8 -3.436 9.269 5.624 55 3HD1 LEU 8 HD13 LEU 8 -2.854 9.236 3.967 56 1HD2 LEU 8 HD21 LEU 8 -3.127 7.352 7.064 57 2HD2 LEU 8 HD22 LEU 8 -1.616 6.650 6.517 58 3HD2 LEU 8 HD23 LEU 8 -3.111 5.737 6.358 59 H ALA 9 HN ALA 9 -7.885 7.425 5.556 60 HA ALA 9 HA ALA 9 -8.924 5.652 3.804 61 1HB ALA 9 HB1 ALA 9 -11.133 6.408 4.495 62 2HB ALA 9 HB2 ALA 9 -10.423 7.894 5.127 63 3HB ALA 9 HB3 ALA 9 -10.017 6.342 5.857 64 H CYS 10 HN CYS 10 -8.078 6.170 1.733 65 HA CYS 10 HA CYS 10 -8.015 7.053 -0.302 66 1HB CYS 10 HB2 CYS 10 -10.917 7.249 0.345 67 2HB CYS 10 HB1 CYS 10 -10.354 7.873 -1.185 68 H THR 11 HN THR 11 -6.966 8.694 1.491 69 HA THR 11 HA THR 11 -7.919 11.398 0.953 70 HB THR 11 HB THR 11 -6.788 10.871 3.127 71 HG1 THR 11 HG1 THR 11 -5.317 12.749 1.533 72 1HG2 THR 11 HG21 THR 11 -5.127 9.249 2.176 73 2HG2 THR 11 HG22 THR 11 -4.443 10.468 3.241 74 3HG2 THR 11 HG23 THR 11 -4.260 10.629 1.502 75 H GLY 12 HN GLY 12 -6.130 8.982 -0.564 76 1HA GLY 12 HA2 GLY 12 -5.825 9.825 -2.978 77 2HA GLY 12 HA1 GLY 12 -4.575 10.816 -2.234 78 H SER 13 HN SER 13 -4.681 8.355 -4.128 79 HA SER 13 HA SER 13 -3.287 6.271 -2.791 80 1HB SER 13 HB2 SER 13 -2.571 5.751 -5.260 81 2HB SER 13 HB1 SER 13 -4.266 5.616 -4.793 82 HG SER 13 HG SER 13 -3.004 7.654 -6.274 83 H LYS 14 HN LYS 14 -2.267 9.163 -4.553 84 HA LYS 14 HA LYS 14 0.496 8.755 -4.584 85 1HB LYS 14 HB2 LYS 14 -1.087 11.289 -4.404 86 2HB LYS 14 HB1 LYS 14 0.647 11.248 -4.689 87 1HG LYS 14 HG2 LYS 14 -1.388 9.943 -6.489 88 2HG LYS 14 HG1 LYS 14 -0.763 11.579 -6.712 89 1HD LYS 14 HD2 LYS 14 1.534 10.629 -6.836 90 2HD LYS 14 HD1 LYS 14 0.827 9.041 -6.747 91 1HE LYS 14 HE2 LYS 14 0.210 11.054 -8.882 92 2HE LYS 14 HE1 LYS 14 1.366 9.737 -9.050 93 1HZ LYS 14 HZ1 LYS 14 -0.709 9.122 -10.040 94 2HZ LYS 14 HZ2 LYS 14 -1.559 9.461 -8.621 95 3HZ LYS 14 HZ3 LYS 14 -0.469 8.166 -8.666 96 H ASP 15 HN ASP 15 -1.645 10.051 -2.145 97 HA ASP 15 HA ASP 15 0.398 10.818 -0.312 98 1HB ASP 15 HB2 ASP 15 -2.178 11.440 -0.440 99 2HB ASP 15 HB1 ASP 15 -2.363 10.033 0.598 100 H CYS 16 HN CYS 16 -1.659 7.963 -0.709 101 HA CYS 16 HA CYS 16 -0.851 6.531 1.556 102 1HB CYS 16 HB2 CYS 16 -2.180 5.887 -1.016 103 2HB CYS 16 HB1 CYS 16 -1.445 4.530 -0.192 104 H TYR 17 HN TYR 17 0.707 6.788 -1.604 105 HA TYR 17 HA TYR 17 2.261 4.527 -1.605 106 1HB TYR 17 HB2 TYR 17 3.005 7.290 -2.572 107 2HB TYR 17 HB1 TYR 17 3.933 5.843 -2.955 108 HD1 TYR 17 HD1 TYR 17 2.446 7.859 -4.828 109 HD2 TYR 17 HD2 TYR 17 1.472 3.994 -3.326 110 HE1 TYR 17 HE1 TYR 17 1.024 7.425 -6.786 111 HE2 TYR 17 HE2 TYR 17 0.062 3.580 -5.273 112 HH TYR 17 HH TYR 17 -1.243 5.576 -7.059 113 H ALA 18 HN ALA 18 3.149 7.602 -0.053 114 HA ALA 18 HA ALA 18 5.710 6.753 0.737 115 1HB ALA 18 HB1 ALA 18 5.150 8.657 2.598 116 2HB ALA 18 HB2 ALA 18 3.983 9.048 1.335 117 3HB ALA 18 HB3 ALA 18 5.696 8.963 0.953 118 HA PRO 19 HA PRO 19 3.818 5.747 5.188 119 1HB PRO 19 HB2 PRO 19 1.019 5.149 4.296 120 2HB PRO 19 HB1 PRO 19 1.626 5.850 5.795 121 1HG PRO 19 HG2 PRO 19 0.486 7.384 3.980 122 2HG PRO 19 HG1 PRO 19 1.887 7.944 4.914 123 1HD PRO 19 HD2 PRO 19 1.761 6.982 2.111 124 2HD PRO 19 HD1 PRO 19 2.719 8.271 2.810 125 H CYS 20 HN CYS 20 2.259 4.190 2.370 126 HA CYS 20 HA CYS 20 2.315 1.575 3.405 127 1HB CYS 20 HB2 CYS 20 0.948 2.156 1.475 128 2HB CYS 20 HB1 CYS 20 2.390 2.491 0.524 129 H ARG 21 HN ARG 21 4.633 3.299 1.330 130 HA ARG 21 HA ARG 21 6.474 1.181 1.059 131 1HB ARG 21 HB2 ARG 21 6.462 3.250 -0.306 132 2HB ARG 21 HB1 ARG 21 7.040 4.148 1.067 133 1HG ARG 21 HG2 ARG 21 9.072 2.736 1.093 134 2HG ARG 21 HG1 ARG 21 8.489 1.924 -0.360 135 1HD ARG 21 HD2 ARG 21 8.507 4.070 -1.549 136 2HD ARG 21 HD1 ARG 21 9.085 4.851 -0.078 137 HE ARG 21 HE ARG 21 10.667 2.681 -1.291 138 1HH1 ARG 21 HH11 ARG 21 10.341 6.103 -0.527 139 2HH1 ARG 21 HH12 ARG 21 11.995 6.432 -0.849 140 1HH2 ARG 21 HH21 ARG 21 12.843 3.159 -1.712 141 2HH2 ARG 21 HH22 ARG 21 13.419 4.782 -1.525 142 H LYS 22 HN LYS 22 6.191 3.789 3.405 143 HA LYS 22 HA LYS 22 8.537 3.182 4.868 144 1HB LYS 22 HB2 LYS 22 7.291 5.311 4.926 145 2HB LYS 22 HB1 LYS 22 5.993 4.531 5.809 146 1HG LYS 22 HG2 LYS 22 7.479 4.093 7.675 147 2HG LYS 22 HG1 LYS 22 8.833 4.801 6.795 148 1HD LYS 22 HD2 LYS 22 6.303 6.256 7.597 149 2HD LYS 22 HD1 LYS 22 7.852 6.363 8.432 150 1HE LYS 22 HE2 LYS 22 7.381 7.177 5.555 151 2HE LYS 22 HE1 LYS 22 7.447 8.261 6.929 152 1HZ LYS 22 HZ1 LYS 22 9.550 8.257 5.862 153 2HZ LYS 22 HZ2 LYS 22 9.662 6.575 5.921 154 3HZ LYS 22 HZ3 LYS 22 9.731 7.477 7.352 155 H GLN 23 HN GLN 23 5.317 1.836 4.872 156 HA GLN 23 HA GLN 23 5.580 0.518 7.386 157 1HB GLN 23 HB2 GLN 23 3.416 1.218 6.539 158 2HB GLN 23 HB1 GLN 23 3.576 0.118 5.217 159 1HG GLN 23 HG2 GLN 23 3.628 -1.763 6.817 160 2HG GLN 23 HG1 GLN 23 3.398 -0.612 8.131 161 1HE2 GLN 23 HE21 GLN 23 1.800 -0.292 4.999 162 2HE2 GLN 23 HE22 GLN 23 0.237 -0.637 5.603 163 H THR 24 HN THR 24 5.071 -0.792 4.124 164 HA THR 24 HA THR 24 5.998 -3.379 5.008 165 HB THR 24 HB THR 24 5.376 -4.105 2.708 166 HG1 THR 24 HG1 THR 24 4.768 -2.631 1.206 167 1HG2 THR 24 HG21 THR 24 3.297 -2.360 4.032 168 2HG2 THR 24 HG22 THR 24 3.652 -4.039 4.442 169 3HG2 THR 24 HG23 THR 24 2.988 -3.639 2.858 170 H GLY 25 HN GLY 25 7.213 -0.759 3.012 171 1HA GLY 25 HA2 GLY 25 9.679 -0.676 2.772 172 2HA GLY 25 HA1 GLY 25 9.617 -2.389 2.383 173 H CYS 26 HN CYS 26 6.948 -1.762 0.984 174 HA CYS 26 HA CYS 26 8.121 -0.682 -1.480 175 1HB CYS 26 HB2 CYS 26 6.232 -3.006 -1.135 176 2HB CYS 26 HB1 CYS 26 6.617 -2.256 -2.674 177 HA PRO 27 HA PRO 27 4.763 2.144 -1.175 178 1HB PRO 27 HB2 PRO 27 5.211 3.573 -3.373 179 2HB PRO 27 HB1 PRO 27 6.424 3.471 -2.108 180 1HG PRO 27 HG2 PRO 27 6.315 2.036 -4.714 181 2HG PRO 27 HG1 PRO 27 7.705 2.757 -3.885 182 1HD PRO 27 HD2 PRO 27 7.003 0.055 -3.835 183 2HD PRO 27 HD1 PRO 27 8.099 0.872 -2.704 184 H ASN 28 HN ASN 28 4.257 -0.509 -2.894 185 HA ASN 28 HA ASN 28 2.339 0.475 -4.817 186 1HB ASN 28 HB2 ASN 28 1.848 -1.999 -5.152 187 2HB ASN 28 HB1 ASN 28 3.458 -1.441 -5.549 188 1HD2 ASN 28 HD21 ASN 28 5.208 -2.192 -4.400 189 2HD2 ASN 28 HD22 ASN 28 5.059 -3.495 -3.275 190 H ALA 29 HN ALA 29 0.773 1.559 -3.666 191 HA ALA 29 HA ALA 29 -1.074 -0.178 -2.167 192 1HB ALA 29 HB1 ALA 29 -0.697 0.855 -0.264 193 2HB ALA 29 HB2 ALA 29 -1.171 2.388 -0.969 194 3HB ALA 29 HB3 ALA 29 0.512 1.883 -1.013 195 H LYS 30 HN LYS 30 -3.198 0.437 -2.166 196 HA LYS 30 HA LYS 30 -4.037 2.829 -3.592 197 1HB LYS 30 HB2 LYS 30 -3.845 1.145 -5.370 198 2HB LYS 30 HB1 LYS 30 -4.926 0.072 -4.505 199 1HG LYS 30 HG2 LYS 30 -6.687 1.850 -4.670 200 2HG LYS 30 HG1 LYS 30 -5.590 2.764 -5.702 201 1HD LYS 30 HD2 LYS 30 -6.332 -0.084 -6.346 202 2HD LYS 30 HD1 LYS 30 -7.407 1.248 -6.754 203 1HE LYS 30 HE2 LYS 30 -6.032 0.697 -8.654 204 2HE LYS 30 HE1 LYS 30 -5.604 2.296 -8.056 205 1HZ LYS 30 HZ1 LYS 30 -3.785 0.575 -8.669 206 2HZ LYS 30 HZ2 LYS 30 -4.059 -0.030 -7.123 207 3HZ LYS 30 HZ3 LYS 30 -3.580 1.579 -7.332 208 H CYS 31 HN CYS 31 -6.125 3.473 -2.925 209 HA CYS 31 HA CYS 31 -6.998 2.087 -0.518 210 1HB CYS 31 HB2 CYS 31 -8.151 4.041 0.095 211 2HB CYS 31 HB1 CYS 31 -6.598 4.553 -0.534 212 H ILE 32 HN ILE 32 -8.325 0.444 -0.796 213 HA ILE 32 HA ILE 32 -10.407 0.605 -2.877 214 HB ILE 32 HB ILE 32 -9.258 -1.720 -1.334 215 1HG1 ILE 32 HG12 ILE 32 -8.954 -2.631 -3.665 216 2HG1 ILE 32 HG11 ILE 32 -9.501 -1.076 -4.285 217 1HG2 ILE 32 HG21 ILE 32 -11.847 -1.579 -2.851 218 2HG2 ILE 32 HG22 ILE 32 -11.525 -2.252 -1.250 219 3HG2 ILE 32 HG23 ILE 32 -10.957 -3.093 -2.684 220 1HD1 ILE 32 HD11 ILE 32 -7.586 0.014 -3.519 221 2HD1 ILE 32 HD12 ILE 32 -7.010 -1.512 -4.184 222 3HD1 ILE 32 HD13 ILE 32 -7.148 -1.311 -2.438 223 H ASN 33 HN ASN 33 -12.335 1.271 -2.259 224 HA ASN 33 HA ASN 33 -14.118 1.788 -1.016 225 1HB ASN 33 HB2 ASN 33 -14.192 -0.756 -0.953 226 2HB ASN 33 HB1 ASN 33 -13.440 -0.672 0.634 227 1HD2 ASN 33 HD21 ASN 33 -15.870 1.632 -0.548 228 2HD2 ASN 33 HD22 ASN 33 -17.076 1.139 0.563 229 H LYS 34 HN LYS 34 -11.995 3.252 -0.409 230 HA LYS 34 HA LYS 34 -11.234 4.742 1.090 231 1HB LYS 34 HB2 LYS 34 -13.233 3.522 2.983 232 2HB LYS 34 HB1 LYS 34 -12.243 4.911 3.360 233 1HG LYS 34 HG2 LYS 34 -14.331 4.739 1.206 234 2HG LYS 34 HG1 LYS 34 -14.419 5.641 2.721 235 1HD LYS 34 HD2 LYS 34 -12.443 6.982 1.951 236 2HD LYS 34 HD1 LYS 34 -12.554 6.123 0.418 237 1HE LYS 34 HE2 LYS 34 -13.616 8.221 0.150 238 2HE LYS 34 HE1 LYS 34 -14.849 6.962 0.126 239 1HZ LYS 34 HZ1 LYS 34 -15.456 8.909 1.467 240 2HZ LYS 34 HZ2 LYS 34 -14.162 8.602 2.510 241 3HZ LYS 34 HZ3 LYS 34 -15.429 7.487 2.377 242 H SER 35 HN SER 35 -10.945 1.405 1.605 243 HA SER 35 HA SER 35 -9.114 1.663 3.820 244 1HB SER 35 HB2 SER 35 -9.861 -0.771 2.180 245 2HB SER 35 HB1 SER 35 -8.972 -0.758 3.700 246 HG SER 35 HG SER 35 -11.294 -1.189 3.839 247 H CYS 36 HN CYS 36 -7.196 2.568 3.284 248 HA CYS 36 HA CYS 36 -5.856 2.248 0.799 249 1HB CYS 36 HB2 CYS 36 -5.438 4.105 2.383 250 2HB CYS 36 HB1 CYS 36 -4.666 2.966 3.474 251 H LYS 37 HN LYS 37 -5.289 0.274 0.087 252 HA LYS 37 HA LYS 37 -4.138 -1.631 2.031 253 1HB LYS 37 HB2 LYS 37 -6.440 -2.094 1.133 254 2HB LYS 37 HB1 LYS 37 -5.732 -2.271 -0.453 255 1HG LYS 37 HG2 LYS 37 -4.587 -3.895 1.778 256 2HG LYS 37 HG1 LYS 37 -6.203 -4.309 1.215 257 1HD LYS 37 HD2 LYS 37 -3.751 -4.128 -0.527 258 2HD LYS 37 HD1 LYS 37 -4.454 -5.618 0.088 259 1HE LYS 37 HE2 LYS 37 -6.593 -4.918 -1.091 260 2HE LYS 37 HE1 LYS 37 -5.630 -3.667 -1.878 261 1HZ LYS 37 HZ1 LYS 37 -4.206 -5.380 -2.797 262 2HZ LYS 37 HZ2 LYS 37 -5.817 -5.628 -3.247 263 3HZ LYS 37 HZ3 LYS 37 -5.124 -6.585 -2.038 264 H CYS 38 HN CYS 38 -2.195 -2.416 1.622 265 HA CYS 38 HA CYS 38 -0.790 -1.594 -0.795 266 1HB CYS 38 HB2 CYS 38 0.154 -3.080 1.657 267 2HB CYS 38 HB1 CYS 38 1.189 -2.525 0.346 268 H TYR 39 HN TYR 39 0.135 -3.014 -2.277 269 HA TYR 39 HA TYR 39 -1.236 -5.550 -2.584 270 1HB TYR 39 HB2 TYR 39 0.945 -4.265 -4.241 271 2HB TYR 39 HB1 TYR 39 0.107 -5.741 -4.662 272 HD1 TYR 39 HD1 TYR 39 -0.085 -2.114 -4.599 273 HD2 TYR 39 HD2 TYR 39 -2.284 -5.677 -5.294 274 HE1 TYR 39 HE1 TYR 39 -1.796 -0.805 -5.757 275 HE2 TYR 39 HE2 TYR 39 -4.016 -4.378 -6.459 276 HH TYR 39 HH TYR 39 -4.809 -1.821 -6.347 277 H GLY 40 HN GLY 40 1.620 -4.432 -1.088 278 1HA GLY 40 HA2 GLY 40 2.453 -6.180 0.454 279 2HA GLY 40 HA1 GLY 40 2.696 -7.183 -0.967 280 H CYS 41 HN CYS 41 4.850 -7.386 -0.969 281 HA CYS 41 HA CYS 41 6.412 -5.277 -1.975 282 1HB CYS 41 HB2 CYS 41 6.287 -4.564 0.443 283 2HB CYS 41 HB1 CYS 41 7.075 -6.071 0.882 Start of MODEL 3 1 1H TRP 1 HT1 TRP 1 5.468 -0.856 15.546 2 2H TRP 1 HT2 TRP 1 4.311 0.010 14.623 3 3H TRP 1 HT3 TRP 1 5.674 0.820 15.283 4 HA TRP 1 HA TRP 1 7.131 -0.523 13.947 5 1HB TRP 1 HB2 TRP 1 5.785 -2.487 13.616 6 2HB TRP 1 HB1 TRP 1 4.505 -1.551 12.850 7 HD1 TRP 1 HD1 TRP 1 4.526 -1.660 10.286 8 HE1 TRP 1 HE1 TRP 1 6.265 -2.213 8.472 9 HE3 TRP 1 HE3 TRP 1 8.638 -2.268 13.264 10 HZ2 TRP 1 HZ2 TRP 1 9.016 -2.816 8.324 11 HZ3 TRP 1 HZ3 TRP 1 10.786 -2.829 12.203 12 HH2 TRP 1 HH2 TRP 1 10.968 -3.097 9.787 13 H CYS 2 HN CYS 2 4.052 0.792 12.736 14 HA CYS 2 HA CYS 2 5.495 2.302 10.709 15 1HB CYS 2 HB2 CYS 2 3.234 2.953 9.933 16 2HB CYS 2 HB1 CYS 2 3.482 1.213 10.008 17 H SER 3 HN SER 3 6.104 4.325 10.930 18 HA SER 3 HA SER 3 5.550 5.826 13.318 19 1HB SER 3 HB2 SER 3 7.725 5.910 12.146 20 2HB SER 3 HB1 SER 3 6.944 6.660 10.756 21 HG SER 3 HG SER 3 7.985 8.120 12.296 22 H THR 4 HN THR 4 3.886 5.417 10.367 23 HA THR 4 HA THR 4 2.537 8.013 10.674 24 HB THR 4 HB THR 4 1.676 7.467 8.316 25 HG1 THR 4 HG1 THR 4 2.733 5.880 7.207 26 1HG2 THR 4 HG21 THR 4 4.637 7.904 8.710 27 2HG2 THR 4 HG22 THR 4 3.390 9.152 8.744 28 3HG2 THR 4 HG23 THR 4 3.714 8.270 7.253 29 H CYS 5 HN CYS 5 1.128 5.349 8.899 30 HA CYS 5 HA CYS 5 -0.941 4.481 9.008 31 1HB CYS 5 HB2 CYS 5 0.039 4.073 11.830 32 2HB CYS 5 HB1 CYS 5 -1.485 3.400 11.267 33 H LEU 6 HN LEU 6 -1.597 6.819 8.657 34 HA LEU 6 HA LEU 6 -3.287 7.765 10.900 35 1HB LEU 6 HB2 LEU 6 -2.178 9.274 8.532 36 2HB LEU 6 HB1 LEU 6 -3.195 9.963 9.778 37 HG LEU 6 HG LEU 6 -0.419 8.862 10.204 38 1HD1 LEU 6 HD11 LEU 6 -0.433 10.957 8.941 39 2HD1 LEU 6 HD12 LEU 6 0.212 11.191 10.564 40 3HD1 LEU 6 HD13 LEU 6 -1.433 11.707 10.187 41 1HD2 LEU 6 HD21 LEU 6 -1.770 8.546 12.184 42 2HD2 LEU 6 HD22 LEU 6 -2.343 10.212 12.101 43 3HD2 LEU 6 HD23 LEU 6 -0.648 9.875 12.451 44 H ASP 7 HN ASP 7 -5.026 9.351 9.649 45 HA ASP 7 HA ASP 7 -6.789 7.434 8.413 46 1HB ASP 7 HB2 ASP 7 -8.463 9.241 8.564 47 2HB ASP 7 HB1 ASP 7 -7.661 8.946 10.101 48 H LEU 8 HN LEU 8 -5.157 7.287 6.552 49 HA LEU 8 HA LEU 8 -5.433 9.430 4.572 50 1HB LEU 8 HB2 LEU 8 -3.899 6.819 4.450 51 2HB LEU 8 HB1 LEU 8 -3.914 8.041 3.206 52 HG LEU 8 HG LEU 8 -1.917 8.477 4.205 53 1HD1 LEU 8 HD11 LEU 8 -2.094 10.534 5.442 54 2HD1 LEU 8 HD12 LEU 8 -3.787 10.224 5.800 55 3HD1 LEU 8 HD13 LEU 8 -3.271 10.520 4.145 56 1HD2 LEU 8 HD21 LEU 8 -2.237 6.850 6.054 57 2HD2 LEU 8 HD22 LEU 8 -3.107 8.100 6.925 58 3HD2 LEU 8 HD23 LEU 8 -1.415 8.332 6.541 59 H ALA 9 HN ALA 9 -7.772 7.909 5.374 60 HA ALA 9 HA ALA 9 -8.475 5.822 3.757 61 1HB ALA 9 HB1 ALA 9 -10.302 7.969 4.835 62 2HB ALA 9 HB2 ALA 9 -9.749 6.544 5.713 63 3HB ALA 9 HB3 ALA 9 -10.787 6.358 4.300 64 H CYS 10 HN CYS 10 -7.666 6.222 1.682 65 HA CYS 10 HA CYS 10 -7.680 6.863 -0.474 66 1HB CYS 10 HB2 CYS 10 -10.593 7.069 0.242 67 2HB CYS 10 HB1 CYS 10 -10.059 7.597 -1.348 68 H THR 11 HN THR 11 -6.583 8.661 1.129 69 HA THR 11 HA THR 11 -7.602 11.299 0.443 70 HB THR 11 HB THR 11 -6.350 10.894 2.588 71 HG1 THR 11 HG1 THR 11 -5.036 12.743 0.835 72 1HG2 THR 11 HG21 THR 11 -4.582 9.445 1.082 73 2HG2 THR 11 HG22 THR 11 -4.277 10.089 2.674 74 3HG2 THR 11 HG23 THR 11 -3.738 10.978 1.270 75 H GLY 12 HN GLY 12 -5.754 8.841 -0.984 76 1HA GLY 12 HA2 GLY 12 -5.556 9.589 -3.465 77 2HA GLY 12 HA1 GLY 12 -4.306 10.627 -2.788 78 H SER 13 HN SER 13 -4.414 8.083 -4.572 79 HA SER 13 HA SER 13 -3.071 6.045 -3.159 80 1HB SER 13 HB2 SER 13 -3.021 6.686 -6.117 81 2HB SER 13 HB1 SER 13 -2.458 5.177 -5.392 82 HG SER 13 HG SER 13 -4.615 5.027 -6.162 83 H LYS 14 HN LYS 14 -1.839 8.774 -5.103 84 HA LYS 14 HA LYS 14 0.872 8.070 -4.863 85 1HB LYS 14 HB2 LYS 14 1.411 10.228 -5.703 86 2HB LYS 14 HB1 LYS 14 -0.003 9.624 -6.552 87 1HG LYS 14 HG2 LYS 14 -1.440 11.018 -5.116 88 2HG LYS 14 HG1 LYS 14 -0.004 11.637 -4.305 89 1HD LYS 14 HD2 LYS 14 -0.676 13.243 -5.934 90 2HD LYS 14 HD1 LYS 14 0.816 12.488 -6.496 91 1HE LYS 14 HE2 LYS 14 -0.521 11.008 -7.956 92 2HE LYS 14 HE1 LYS 14 -1.985 11.819 -7.404 93 1HZ LYS 14 HZ1 LYS 14 -1.141 13.877 -8.344 94 2HZ LYS 14 HZ2 LYS 14 -1.229 12.667 -9.521 95 3HZ LYS 14 HZ3 LYS 14 0.268 13.091 -8.861 96 H ASP 15 HN ASP 15 -1.315 9.497 -2.672 97 HA ASP 15 HA ASP 15 0.690 10.623 -0.925 98 1HB ASP 15 HB2 ASP 15 -1.753 11.394 -1.132 99 2HB ASP 15 HB1 ASP 15 -2.186 9.955 -0.221 100 H CYS 16 HN CYS 16 -1.557 7.865 -0.880 101 HA CYS 16 HA CYS 16 -0.613 6.727 1.511 102 1HB CYS 16 HB2 CYS 16 -2.100 5.468 -0.799 103 2HB CYS 16 HB1 CYS 16 -1.826 4.693 0.759 104 H TYR 17 HN TYR 17 0.804 6.689 -1.629 105 HA TYR 17 HA TYR 17 2.228 4.286 -1.618 106 1HB TYR 17 HB2 TYR 17 2.958 7.037 -2.634 107 2HB TYR 17 HB1 TYR 17 3.997 5.640 -2.889 108 HD1 TYR 17 HD1 TYR 17 3.030 7.244 -5.138 109 HD2 TYR 17 HD2 TYR 17 1.203 3.907 -3.212 110 HE1 TYR 17 HE1 TYR 17 1.821 6.701 -7.203 111 HE2 TYR 17 HE2 TYR 17 0.007 3.377 -5.264 112 HH TYR 17 HH TYR 17 -0.655 5.194 -7.558 113 H ALA 18 HN ALA 18 2.920 7.348 0.005 114 HA ALA 18 HA ALA 18 5.508 6.632 0.873 115 1HB ALA 18 HB1 ALA 18 4.791 8.516 2.691 116 2HB ALA 18 HB2 ALA 18 3.646 8.844 1.391 117 3HB ALA 18 HB3 ALA 18 5.372 8.842 1.062 118 HA PRO 19 HA PRO 19 3.470 5.491 5.202 119 1HB PRO 19 HB2 PRO 19 0.725 4.825 4.217 120 2HB PRO 19 HB1 PRO 19 1.235 5.529 5.753 121 1HG PRO 19 HG2 PRO 19 0.113 7.028 3.873 122 2HG PRO 19 HG1 PRO 19 1.450 7.653 4.857 123 1HD PRO 19 HD2 PRO 19 1.481 6.688 2.056 124 2HD PRO 19 HD1 PRO 19 2.350 8.008 2.792 125 H CYS 20 HN CYS 20 2.246 4.035 2.200 126 HA CYS 20 HA CYS 20 2.241 1.364 3.116 127 1HB CYS 20 HB2 CYS 20 1.080 2.138 1.070 128 2HB CYS 20 HB1 CYS 20 2.638 2.371 0.286 129 H ARG 21 HN ARG 21 4.722 3.348 1.525 130 HA ARG 21 HA ARG 21 6.677 1.312 1.272 131 1HB ARG 21 HB2 ARG 21 6.782 3.518 0.130 132 2HB ARG 21 HB1 ARG 21 7.111 4.286 1.672 133 1HG ARG 21 HG2 ARG 21 9.155 2.806 1.838 134 2HG ARG 21 HG1 ARG 21 8.834 2.327 0.172 135 1HD ARG 21 HD2 ARG 21 9.351 5.114 1.176 136 2HD ARG 21 HD1 ARG 21 10.489 4.109 0.306 137 HE ARG 21 HE ARG 21 8.009 5.298 -0.785 138 1HH1 ARG 21 HH11 ARG 21 11.157 3.823 -1.322 139 2HH1 ARG 21 HH12 ARG 21 11.188 4.243 -2.986 140 1HH2 ARG 21 HH21 ARG 21 8.084 5.850 -2.995 141 2HH2 ARG 21 HH22 ARG 21 9.453 5.386 -3.950 142 H LYS 22 HN LYS 22 5.869 3.603 3.837 143 HA LYS 22 HA LYS 22 7.998 2.994 5.568 144 1HB LYS 22 HB2 LYS 22 5.517 4.514 5.672 145 2HB LYS 22 HB1 LYS 22 5.748 3.645 7.174 146 1HG LYS 22 HG2 LYS 22 7.684 5.570 5.915 147 2HG LYS 22 HG1 LYS 22 6.650 5.863 7.318 148 1HD LYS 22 HD2 LYS 22 7.834 3.895 8.417 149 2HD LYS 22 HD1 LYS 22 8.984 3.969 7.082 150 1HE LYS 22 HE2 LYS 22 8.384 6.162 9.054 151 2HE LYS 22 HE1 LYS 22 9.832 5.160 9.008 152 1HZ LYS 22 HZ1 LYS 22 8.978 7.164 6.995 153 2HZ LYS 22 HZ2 LYS 22 10.271 6.096 6.762 154 3HZ LYS 22 HZ3 LYS 22 10.327 7.235 8.009 155 H GLN 23 HN GLN 23 4.822 1.535 5.142 156 HA GLN 23 HA GLN 23 5.030 -0.145 7.449 157 1HB GLN 23 HB2 GLN 23 3.157 -0.186 5.080 158 2HB GLN 23 HB1 GLN 23 2.977 -1.220 6.495 159 1HG GLN 23 HG2 GLN 23 2.579 0.615 7.914 160 2HG GLN 23 HG1 GLN 23 3.027 1.778 6.680 161 1HE2 GLN 23 HE21 GLN 23 0.561 1.533 8.173 162 2HE2 GLN 23 HE22 GLN 23 -0.701 1.369 7.040 163 H THR 24 HN THR 24 5.077 -0.903 3.941 164 HA THR 24 HA THR 24 5.993 -3.605 4.629 165 HB THR 24 HB THR 24 5.424 -4.182 2.315 166 HG1 THR 24 HG1 THR 24 4.842 -2.649 0.861 167 1HG2 THR 24 HG21 THR 24 3.261 -2.530 3.628 168 2HG2 THR 24 HG22 THR 24 3.635 -4.216 3.993 169 3HG2 THR 24 HG23 THR 24 3.024 -3.773 2.400 170 H GLY 25 HN GLY 25 7.168 -0.715 3.010 171 1HA GLY 25 HA2 GLY 25 9.563 -0.443 2.733 172 2HA GLY 25 HA1 GLY 25 9.682 -2.154 2.359 173 H CYS 26 HN CYS 26 6.991 -1.743 0.858 174 HA CYS 26 HA CYS 26 8.181 -0.613 -1.575 175 1HB CYS 26 HB2 CYS 26 6.310 -2.941 -1.245 176 2HB CYS 26 HB1 CYS 26 6.604 -2.170 -2.785 177 HA PRO 27 HA PRO 27 4.848 2.274 -1.097 178 1HB PRO 27 HB2 PRO 27 5.391 3.853 -3.185 179 2HB PRO 27 HB1 PRO 27 6.518 3.707 -1.842 180 1HG PRO 27 HG2 PRO 27 6.582 2.311 -4.487 181 2HG PRO 27 HG1 PRO 27 7.889 3.164 -3.649 182 1HD PRO 27 HD2 PRO 27 7.578 0.460 -3.560 183 2HD PRO 27 HD1 PRO 27 8.313 1.404 -2.247 184 H ASN 28 HN ASN 28 4.426 -0.315 -2.834 185 HA ASN 28 HA ASN 28 2.639 0.725 -4.877 186 1HB ASN 28 HB2 ASN 28 3.405 -2.109 -4.161 187 2HB ASN 28 HB1 ASN 28 2.361 -1.650 -5.504 188 1HD2 ASN 28 HD21 ASN 28 4.901 -3.070 -5.570 189 2HD2 ASN 28 HD22 ASN 28 5.944 -2.111 -6.558 190 H ALA 29 HN ALA 29 0.947 1.621 -3.780 191 HA ALA 29 HA ALA 29 -0.746 -0.249 -2.239 192 1HB ALA 29 HB1 ALA 29 -0.532 1.091 -0.501 193 2HB ALA 29 HB2 ALA 29 -1.362 2.356 -1.398 194 3HB ALA 29 HB3 ALA 29 0.398 2.264 -1.426 195 H LYS 30 HN LYS 30 -2.946 -0.053 -2.468 196 HA LYS 30 HA LYS 30 -3.959 1.790 -4.518 197 1HB LYS 30 HB2 LYS 30 -3.555 -0.483 -5.518 198 2HB LYS 30 HB1 LYS 30 -4.694 -1.151 -4.362 199 1HG LYS 30 HG2 LYS 30 -5.812 -0.849 -6.436 200 2HG LYS 30 HG1 LYS 30 -6.444 0.341 -5.302 201 1HD LYS 30 HD2 LYS 30 -5.013 2.059 -6.291 202 2HD LYS 30 HD1 LYS 30 -4.337 0.868 -7.405 203 1HE LYS 30 HE2 LYS 30 -7.231 1.709 -7.258 204 2HE LYS 30 HE1 LYS 30 -6.059 2.253 -8.456 205 1HZ LYS 30 HZ1 LYS 30 -7.130 -0.483 -8.096 206 2HZ LYS 30 HZ2 LYS 30 -5.794 -0.145 -9.080 207 3HZ LYS 30 HZ3 LYS 30 -7.301 0.532 -9.433 208 H CYS 31 HN CYS 31 -5.769 2.809 -3.820 209 HA CYS 31 HA CYS 31 -6.689 2.101 -1.185 210 1HB CYS 31 HB2 CYS 31 -6.288 4.472 -2.003 211 2HB CYS 31 HB1 CYS 31 -7.813 4.326 -2.871 212 H ILE 32 HN ILE 32 -8.123 0.603 -0.913 213 HA ILE 32 HA ILE 32 -10.370 0.209 -2.748 214 HB ILE 32 HB ILE 32 -11.089 -1.548 -1.194 215 1HG1 ILE 32 HG12 ILE 32 -8.679 -0.724 0.435 216 2HG1 ILE 32 HG11 ILE 32 -10.358 -0.647 0.930 217 1HG2 ILE 32 HG21 ILE 32 -9.451 -2.022 -2.999 218 2HG2 ILE 32 HG22 ILE 32 -9.338 -3.130 -1.639 219 3HG2 ILE 32 HG23 ILE 32 -8.152 -1.835 -1.821 220 1HD1 ILE 32 HD11 ILE 32 -8.614 -3.053 0.558 221 2HD1 ILE 32 HD12 ILE 32 -10.370 -3.165 0.699 222 3HD1 ILE 32 HD13 ILE 32 -9.419 -2.488 2.020 223 H ASN 33 HN ASN 33 -12.534 0.014 -1.227 224 HA ASN 33 HA ASN 33 -13.236 2.628 -0.785 225 1HB ASN 33 HB2 ASN 33 -15.260 1.807 0.344 226 2HB ASN 33 HB1 ASN 33 -14.907 0.943 -1.144 227 1HD2 ASN 33 HD21 ASN 33 -16.522 0.180 1.191 228 2HD2 ASN 33 HD22 ASN 33 -15.856 -1.322 1.724 229 H LYS 34 HN LYS 34 -12.028 3.878 0.464 230 HA LYS 34 HA LYS 34 -11.374 4.994 2.298 231 1HB LYS 34 HB2 LYS 34 -13.116 3.060 3.816 232 2HB LYS 34 HB1 LYS 34 -12.446 4.545 4.458 233 1HG LYS 34 HG2 LYS 34 -13.733 5.847 2.864 234 2HG LYS 34 HG1 LYS 34 -14.421 4.368 2.194 235 1HD LYS 34 HD2 LYS 34 -14.738 5.349 5.035 236 2HD LYS 34 HD1 LYS 34 -15.958 5.442 3.766 237 1HE LYS 34 HE2 LYS 34 -14.805 2.906 4.944 238 2HE LYS 34 HE1 LYS 34 -16.397 3.575 5.249 239 1HZ LYS 34 HZ1 LYS 34 -15.391 2.483 2.689 240 2HZ LYS 34 HZ2 LYS 34 -16.848 3.334 2.828 241 3HZ LYS 34 HZ3 LYS 34 -16.636 1.877 3.656 242 H SER 35 HN SER 35 -9.842 2.602 1.371 243 HA SER 35 HA SER 35 -8.098 2.444 3.689 244 1HB SER 35 HB2 SER 35 -9.342 -0.059 2.559 245 2HB SER 35 HB1 SER 35 -8.046 -0.027 3.732 246 HG SER 35 HG SER 35 -9.429 0.799 5.225 247 H CYS 36 HN CYS 36 -6.187 2.967 2.811 248 HA CYS 36 HA CYS 36 -5.509 2.245 0.085 249 1HB CYS 36 HB2 CYS 36 -3.949 3.629 2.259 250 2HB CYS 36 HB1 CYS 36 -3.310 3.291 0.653 251 H LYS 37 HN LYS 37 -5.463 0.033 -0.020 252 HA LYS 37 HA LYS 37 -3.936 -1.479 1.942 253 1HB LYS 37 HB2 LYS 37 -6.107 -2.291 1.088 254 2HB LYS 37 HB1 LYS 37 -5.414 -2.393 -0.522 255 1HG LYS 37 HG2 LYS 37 -3.706 -4.021 0.505 256 2HG LYS 37 HG1 LYS 37 -4.748 -4.020 1.923 257 1HD LYS 37 HD2 LYS 37 -5.216 -5.919 0.479 258 2HD LYS 37 HD1 LYS 37 -6.604 -4.832 0.552 259 1HE LYS 37 HE2 LYS 37 -6.123 -3.946 -1.606 260 2HE LYS 37 HE1 LYS 37 -4.546 -4.735 -1.657 261 1HZ LYS 37 HZ1 LYS 37 -6.161 -5.883 -3.012 262 2HZ LYS 37 HZ2 LYS 37 -7.184 -6.100 -1.684 263 3HZ LYS 37 HZ3 LYS 37 -5.677 -6.871 -1.727 264 H CYS 38 HN CYS 38 -2.056 -2.580 1.558 265 HA CYS 38 HA CYS 38 -0.523 -1.731 -0.796 266 1HB CYS 38 HB2 CYS 38 0.278 -3.162 1.740 267 2HB CYS 38 HB1 CYS 38 1.393 -2.746 0.442 268 H TYR 39 HN TYR 39 0.424 -3.159 -2.235 269 HA TYR 39 HA TYR 39 -0.916 -5.719 -2.566 270 1HB TYR 39 HB2 TYR 39 1.300 -4.370 -4.121 271 2HB TYR 39 HB1 TYR 39 0.614 -5.931 -4.552 272 HD1 TYR 39 HD1 TYR 39 0.248 -2.362 -4.808 273 HD2 TYR 39 HD2 TYR 39 -1.837 -6.061 -5.160 274 HE1 TYR 39 HE1 TYR 39 -1.489 -1.251 -6.137 275 HE2 TYR 39 HE2 TYR 39 -3.576 -4.957 -6.492 276 HH TYR 39 HH TYR 39 -4.452 -2.431 -6.664 277 H GLY 40 HN GLY 40 1.854 -4.527 -0.967 278 1HA GLY 40 HA2 GLY 40 2.875 -6.021 0.608 279 2HA GLY 40 HA1 GLY 40 2.851 -7.287 -0.607 280 H CYS 41 HN CYS 41 5.159 -7.150 0.313 281 HA CYS 41 HA CYS 41 6.780 -5.845 -1.724 282 1HB CYS 41 HB2 CYS 41 6.518 -4.191 0.179 283 2HB CYS 41 HB1 CYS 41 7.324 -5.343 1.216 Start of MODEL 4 1 1H TRP 1 HT1 TRP 1 0.884 -3.220 8.114 2 2H TRP 1 HT2 TRP 1 1.247 -4.276 9.411 3 3H TRP 1 HT3 TRP 1 2.293 -2.961 9.047 4 HA TRP 1 HA TRP 1 -0.526 -2.634 9.782 5 1HB TRP 1 HB2 TRP 1 0.320 -2.040 12.076 6 2HB TRP 1 HB1 TRP 1 0.450 -3.740 11.657 7 HD1 TRP 1 HD1 TRP 1 3.057 -4.485 10.778 8 HE1 TRP 1 HE1 TRP 1 5.303 -3.776 11.816 9 HE3 TRP 1 HE3 TRP 1 1.506 -0.325 13.317 10 HZ2 TRP 1 HZ2 TRP 1 6.284 -1.740 13.504 11 HZ3 TRP 1 HZ3 TRP 1 3.160 0.940 14.625 12 HH2 TRP 1 HH2 TRP 1 5.497 0.248 14.717 13 H CYS 2 HN CYS 2 -0.694 -0.937 8.291 14 HA CYS 2 HA CYS 2 1.106 1.360 8.651 15 1HB CYS 2 HB2 CYS 2 0.492 0.735 6.350 16 2HB CYS 2 HB1 CYS 2 -1.207 1.005 6.730 17 H SER 3 HN SER 3 0.522 1.921 10.748 18 HA SER 3 HA SER 3 -2.116 2.270 11.656 19 1HB SER 3 HB2 SER 3 0.373 3.677 12.657 20 2HB SER 3 HB1 SER 3 -1.117 3.372 13.556 21 HG SER 3 HG SER 3 0.436 1.813 14.071 22 H THR 4 HN THR 4 -0.013 4.351 9.792 23 HA THR 4 HA THR 4 -1.540 6.742 10.298 24 HB THR 4 HB THR 4 -0.112 7.594 8.292 25 HG1 THR 4 HG1 THR 4 0.562 5.730 7.368 26 1HG2 THR 4 HG21 THR 4 1.267 6.586 10.780 27 2HG2 THR 4 HG22 THR 4 0.402 8.117 10.620 28 3HG2 THR 4 HG23 THR 4 1.869 7.830 9.684 29 H CYS 5 HN CYS 5 -1.957 4.042 8.276 30 HA CYS 5 HA CYS 5 -3.237 5.445 6.123 31 1HB CYS 5 HB2 CYS 5 -2.937 2.511 6.749 32 2HB CYS 5 HB1 CYS 5 -3.800 3.108 5.338 33 H LEU 6 HN LEU 6 -4.282 4.987 9.179 34 HA LEU 6 HA LEU 6 -6.927 4.014 8.630 35 1HB LEU 6 HB2 LEU 6 -5.787 3.638 10.795 36 2HB LEU 6 HB1 LEU 6 -5.828 5.365 11.098 37 HG LEU 6 HG LEU 6 -8.326 5.269 11.055 38 1HD1 LEU 6 HD11 LEU 6 -8.628 3.302 9.673 39 2HD1 LEU 6 HD12 LEU 6 -9.410 3.070 11.231 40 3HD1 LEU 6 HD13 LEU 6 -7.862 2.292 10.899 41 1HD2 LEU 6 HD21 LEU 6 -7.008 3.432 13.053 42 2HD2 LEU 6 HD22 LEU 6 -8.572 4.229 13.241 43 3HD2 LEU 6 HD23 LEU 6 -7.097 5.191 13.166 44 H ASP 7 HN ASP 7 -5.328 7.124 8.806 45 HA ASP 7 HA ASP 7 -7.946 8.460 8.468 46 1HB ASP 7 HB2 ASP 7 -5.310 9.440 9.553 47 2HB ASP 7 HB1 ASP 7 -6.556 10.559 9.014 48 H LEU 8 HN LEU 8 -6.303 7.017 6.419 49 HA LEU 8 HA LEU 8 -5.886 9.272 4.577 50 1HB LEU 8 HB2 LEU 8 -4.371 6.794 5.074 51 2HB LEU 8 HB1 LEU 8 -4.602 7.185 3.397 52 HG LEU 8 HG LEU 8 -3.531 9.358 3.716 53 1HD1 LEU 8 HD11 LEU 8 -3.625 8.559 6.563 54 2HD1 LEU 8 HD12 LEU 8 -3.802 10.133 5.812 55 3HD1 LEU 8 HD13 LEU 8 -2.199 9.438 6.014 56 1HD2 LEU 8 HD21 LEU 8 -1.963 6.975 4.690 57 2HD2 LEU 8 HD22 LEU 8 -1.247 8.508 4.185 58 3HD2 LEU 8 HD23 LEU 8 -2.140 7.538 3.033 59 H ALA 9 HN ALA 9 -8.415 8.136 5.158 60 HA ALA 9 HA ALA 9 -9.274 6.088 3.535 61 1HB ALA 9 HB1 ALA 9 -10.866 8.497 4.408 62 2HB ALA 9 HB2 ALA 9 -10.587 7.040 5.362 63 3HB ALA 9 HB3 ALA 9 -11.528 6.949 3.873 64 H CYS 10 HN CYS 10 -8.225 6.327 1.524 65 HA CYS 10 HA CYS 10 -8.027 6.860 -0.606 66 1HB CYS 10 HB2 CYS 10 -10.891 7.496 -0.120 67 2HB CYS 10 HB1 CYS 10 -10.200 8.164 -1.588 68 H THR 11 HN THR 11 -6.587 8.364 0.855 69 HA THR 11 HA THR 11 -6.960 11.171 0.131 70 HB THR 11 HB THR 11 -4.578 11.366 1.058 71 HG1 THR 11 HG1 THR 11 -3.797 9.311 0.917 72 1HG2 THR 11 HG21 THR 11 -6.462 11.932 2.445 73 2HG2 THR 11 HG22 THR 11 -5.276 11.045 3.401 74 3HG2 THR 11 HG23 THR 11 -6.737 10.234 2.837 75 H GLY 12 HN GLY 12 -6.230 8.445 -1.534 76 1HA GLY 12 HA2 GLY 12 -5.746 8.677 -3.854 77 2HA GLY 12 HA1 GLY 12 -4.531 9.882 -3.458 78 H SER 13 HN SER 13 -4.512 7.112 -4.780 79 HA SER 13 HA SER 13 -3.075 5.325 -3.168 80 1HB SER 13 HB2 SER 13 -2.207 4.438 -5.392 81 2HB SER 13 HB1 SER 13 -3.960 4.543 -5.237 82 HG SER 13 HG SER 13 -2.218 6.201 -6.703 83 H LYS 14 HN LYS 14 -1.982 7.964 -5.252 84 HA LYS 14 HA LYS 14 0.771 7.584 -4.929 85 1HB LYS 14 HB2 LYS 14 1.015 9.885 -5.720 86 2HB LYS 14 HB1 LYS 14 -0.066 8.937 -6.707 87 1HG LYS 14 HG2 LYS 14 -1.395 10.723 -6.582 88 2HG LYS 14 HG1 LYS 14 -1.893 10.021 -5.051 89 1HD LYS 14 HD2 LYS 14 -1.439 12.338 -4.705 90 2HD LYS 14 HD1 LYS 14 -0.167 11.418 -3.908 91 1HE LYS 14 HE2 LYS 14 1.368 11.876 -5.690 92 2HE LYS 14 HE1 LYS 14 0.094 12.588 -6.679 93 1HZ LYS 14 HZ1 LYS 14 -0.106 14.369 -5.059 94 2HZ LYS 14 HZ2 LYS 14 1.471 14.271 -5.660 95 3HZ LYS 14 HZ3 LYS 14 1.121 13.681 -4.115 96 H ASP 15 HN ASP 15 -1.568 8.925 -2.774 97 HA ASP 15 HA ASP 15 0.411 10.281 -1.153 98 1HB ASP 15 HB2 ASP 15 -1.834 11.229 -1.307 99 2HB ASP 15 HB1 ASP 15 -2.524 9.750 -0.655 100 H CYS 16 HN CYS 16 -1.632 7.385 -0.988 101 HA CYS 16 HA CYS 16 -0.652 6.526 1.550 102 1HB CYS 16 HB2 CYS 16 -2.127 5.085 -0.659 103 2HB CYS 16 HB1 CYS 16 -1.726 4.333 0.884 104 H TYR 17 HN TYR 17 0.683 6.431 -1.609 105 HA TYR 17 HA TYR 17 2.289 4.175 -1.574 106 1HB TYR 17 HB2 TYR 17 2.684 6.942 -2.693 107 2HB TYR 17 HB1 TYR 17 3.968 5.751 -2.827 108 HD1 TYR 17 HD1 TYR 17 3.024 6.921 -5.242 109 HD2 TYR 17 HD2 TYR 17 1.351 3.643 -3.103 110 HE1 TYR 17 HE1 TYR 17 2.044 6.048 -7.317 111 HE2 TYR 17 HE2 TYR 17 0.393 2.777 -5.163 112 HH TYR 17 HH TYR 17 1.243 3.285 -7.956 113 H ALA 18 HN ALA 18 2.894 7.339 -0.115 114 HA ALA 18 HA ALA 18 5.505 6.796 0.705 115 1HB ALA 18 HB1 ALA 18 4.682 8.642 2.554 116 2HB ALA 18 HB2 ALA 18 3.537 8.893 1.237 117 3HB ALA 18 HB3 ALA 18 5.265 8.987 0.930 118 HA PRO 19 HA PRO 19 3.823 5.619 5.161 119 1HB PRO 19 HB2 PRO 19 1.052 4.792 4.422 120 2HB PRO 19 HB1 PRO 19 1.656 5.583 5.877 121 1HG PRO 19 HG2 PRO 19 0.313 6.940 4.055 122 2HG PRO 19 HG1 PRO 19 1.698 7.674 4.872 123 1HD PRO 19 HD2 PRO 19 1.509 6.521 2.144 124 2HD PRO 19 HD1 PRO 19 2.348 7.951 2.692 125 H CYS 20 HN CYS 20 2.289 3.932 2.410 126 HA CYS 20 HA CYS 20 2.577 1.340 3.494 127 1HB CYS 20 HB2 CYS 20 1.057 1.911 1.618 128 2HB CYS 20 HB1 CYS 20 2.451 2.125 0.571 129 H ARG 21 HN ARG 21 4.606 3.185 1.237 130 HA ARG 21 HA ARG 21 6.598 1.226 0.849 131 1HB ARG 21 HB2 ARG 21 6.364 3.200 -0.541 132 2HB ARG 21 HB1 ARG 21 6.781 4.240 0.772 133 1HG ARG 21 HG2 ARG 21 9.023 3.273 0.830 134 2HG ARG 21 HG1 ARG 21 8.595 2.209 -0.513 135 1HD ARG 21 HD2 ARG 21 8.195 4.155 -1.928 136 2HD ARG 21 HD1 ARG 21 8.581 5.224 -0.576 137 HE ARG 21 HE ARG 21 10.735 3.449 -1.088 138 1HH1 ARG 21 HH11 ARG 21 9.150 6.299 -2.391 139 2HH1 ARG 21 HH12 ARG 21 10.587 6.890 -3.136 140 1HH2 ARG 21 HH21 ARG 21 12.626 4.256 -2.076 141 2HH2 ARG 21 HH22 ARG 21 12.558 5.741 -2.966 142 H LYS 22 HN LYS 22 6.272 3.853 3.192 143 HA LYS 22 HA LYS 22 8.787 3.564 4.413 144 1HB LYS 22 HB2 LYS 22 7.354 5.536 4.638 145 2HB LYS 22 HB1 LYS 22 6.189 4.596 5.563 146 1HG LYS 22 HG2 LYS 22 7.869 4.262 7.321 147 2HG LYS 22 HG1 LYS 22 9.022 5.220 6.385 148 1HD LYS 22 HD2 LYS 22 7.537 7.155 6.531 149 2HD LYS 22 HD1 LYS 22 6.363 6.196 7.437 150 1HE LYS 22 HE2 LYS 22 8.017 5.881 9.221 151 2HE LYS 22 HE1 LYS 22 9.171 6.863 8.315 152 1HZ LYS 22 HZ1 LYS 22 6.542 7.789 9.345 153 2HZ LYS 22 HZ2 LYS 22 7.650 8.732 8.476 154 3HZ LYS 22 HZ3 LYS 22 8.054 8.151 10.011 155 H GLN 23 HN GLN 23 5.690 1.962 5.014 156 HA GLN 23 HA GLN 23 6.692 0.706 7.415 157 1HB GLN 23 HB2 GLN 23 4.327 1.416 7.174 158 2HB GLN 23 HB1 GLN 23 4.109 0.199 5.924 159 1HG GLN 23 HG2 GLN 23 3.260 -0.578 8.052 160 2HG GLN 23 HG1 GLN 23 4.625 -1.561 7.535 161 1HE2 GLN 23 HE21 GLN 23 3.468 0.742 9.872 162 2HE2 GLN 23 HE22 GLN 23 4.814 0.607 10.946 163 H THR 24 HN THR 24 5.612 -0.497 4.213 164 HA THR 24 HA THR 24 6.575 -3.150 4.937 165 HB THR 24 HB THR 24 5.450 -3.922 2.934 166 HG1 THR 24 HG1 THR 24 4.743 -2.549 1.380 167 1HG2 THR 24 HG21 THR 24 3.758 -1.828 4.306 168 2HG2 THR 24 HG22 THR 24 4.050 -3.459 4.912 169 3HG2 THR 24 HG23 THR 24 3.174 -3.223 3.401 170 H GLY 25 HN GLY 25 7.544 -0.516 2.833 171 1HA GLY 25 HA2 GLY 25 9.782 -0.374 2.007 172 2HA GLY 25 HA1 GLY 25 9.862 -2.126 1.928 173 H CYS 26 HN CYS 26 6.876 -1.695 0.902 174 HA CYS 26 HA CYS 26 7.630 -1.147 -1.882 175 1HB CYS 26 HB2 CYS 26 5.746 -3.248 -0.858 176 2HB CYS 26 HB1 CYS 26 6.052 -2.902 -2.555 177 HA PRO 27 HA PRO 27 4.588 1.967 -0.977 178 1HB PRO 27 HB2 PRO 27 4.775 3.345 -3.301 179 2HB PRO 27 HB1 PRO 27 6.026 3.391 -2.088 180 1HG PRO 27 HG2 PRO 27 5.913 1.804 -4.597 181 2HG PRO 27 HG1 PRO 27 7.281 2.680 -3.886 182 1HD PRO 27 HD2 PRO 27 6.949 -0.021 -3.674 183 2HD PRO 27 HD1 PRO 27 7.802 0.959 -2.466 184 H ASN 28 HN ASN 28 4.327 -0.197 -3.693 185 HA ASN 28 HA ASN 28 2.144 0.836 -4.996 186 1HB ASN 28 HB2 ASN 28 3.053 -2.030 -4.722 187 2HB ASN 28 HB1 ASN 28 1.771 -1.528 -5.821 188 1HD2 ASN 28 HD21 ASN 28 4.450 -2.678 -6.352 189 2HD2 ASN 28 HD22 ASN 28 5.189 -1.554 -7.436 190 H ALA 29 HN ALA 29 0.349 1.451 -4.014 191 HA ALA 29 HA ALA 29 -1.381 -0.549 -2.818 192 1HB ALA 29 HB1 ALA 29 -1.738 0.547 -0.805 193 2HB ALA 29 HB2 ALA 29 -1.065 2.075 -1.382 194 3HB ALA 29 HB3 ALA 29 0.000 0.720 -1.030 195 H LYS 30 HN LYS 30 -3.600 0.190 -2.654 196 HA LYS 30 HA LYS 30 -4.309 2.637 -4.104 197 1HB LYS 30 HB2 LYS 30 -4.307 0.956 -5.857 198 2HB LYS 30 HB1 LYS 30 -5.299 -0.120 -4.889 199 1HG LYS 30 HG2 LYS 30 -7.128 1.540 -4.971 200 2HG LYS 30 HG1 LYS 30 -6.129 2.560 -6.003 201 1HD LYS 30 HD2 LYS 30 -6.760 -0.291 -6.752 202 2HD LYS 30 HD1 LYS 30 -7.908 1.008 -7.058 203 1HE LYS 30 HE2 LYS 30 -6.679 0.754 -9.044 204 2HE LYS 30 HE1 LYS 30 -6.051 2.212 -8.285 205 1HZ LYS 30 HZ1 LYS 30 -4.522 0.280 -9.232 206 2HZ LYS 30 HZ2 LYS 30 -4.666 -0.279 -7.644 207 3HZ LYS 30 HZ3 LYS 30 -4.055 1.271 -7.949 208 H CYS 31 HN CYS 31 -6.283 3.502 -3.390 209 HA CYS 31 HA CYS 31 -7.236 2.316 -0.933 210 1HB CYS 31 HB2 CYS 31 -8.292 4.339 -0.421 211 2HB CYS 31 HB1 CYS 31 -6.765 4.748 -1.143 212 H ILE 32 HN ILE 32 -8.592 0.723 -1.083 213 HA ILE 32 HA ILE 32 -10.950 1.067 -2.837 214 HB ILE 32 HB ILE 32 -11.129 -1.433 -2.807 215 1HG1 ILE 32 HG12 ILE 32 -8.283 -1.283 -1.767 216 2HG1 ILE 32 HG11 ILE 32 -9.673 -1.824 -0.832 217 1HG2 ILE 32 HG21 ILE 32 -9.587 -1.768 -4.609 218 2HG2 ILE 32 HG22 ILE 32 -8.586 -0.421 -4.074 219 3HG2 ILE 32 HG23 ILE 32 -10.203 -0.125 -4.710 220 1HD1 ILE 32 HD11 ILE 32 -9.453 -3.303 -3.309 221 2HD1 ILE 32 HD12 ILE 32 -9.523 -3.854 -1.653 222 3HD1 ILE 32 HD13 ILE 32 -7.978 -3.375 -2.354 223 H ASN 33 HN ASN 33 -12.915 0.661 -1.944 224 HA ASN 33 HA ASN 33 -14.475 0.841 -0.321 225 1HB ASN 33 HB2 ASN 33 -12.619 -0.883 1.348 226 2HB ASN 33 HB1 ASN 33 -14.316 -0.562 1.677 227 1HD2 ASN 33 HD21 ASN 33 -12.927 -3.092 1.271 228 2HD2 ASN 33 HD22 ASN 33 -13.742 -3.852 -0.049 229 H LYS 34 HN LYS 34 -12.474 2.841 -0.597 230 HA LYS 34 HA LYS 34 -11.632 4.663 0.390 231 1HB LYS 34 HB2 LYS 34 -13.643 3.951 2.507 232 2HB LYS 34 HB1 LYS 34 -12.681 5.418 2.559 233 1HG LYS 34 HG2 LYS 34 -13.634 6.214 0.535 234 2HG LYS 34 HG1 LYS 34 -14.510 4.703 0.283 235 1HD LYS 34 HD2 LYS 34 -15.879 5.088 2.203 236 2HD LYS 34 HD1 LYS 34 -14.917 6.488 2.683 237 1HE LYS 34 HE2 LYS 34 -16.534 6.288 0.142 238 2HE LYS 34 HE1 LYS 34 -17.052 7.099 1.618 239 1HZ LYS 34 HZ1 LYS 34 -14.788 7.841 -0.140 240 2HZ LYS 34 HZ2 LYS 34 -15.017 8.516 1.395 241 3HZ LYS 34 HZ3 LYS 34 -16.181 8.735 0.190 242 H SER 35 HN SER 35 -10.344 2.058 0.855 243 HA SER 35 HA SER 35 -8.672 2.889 3.112 244 1HB SER 35 HB2 SER 35 -10.263 1.198 3.971 245 2HB SER 35 HB1 SER 35 -9.710 0.063 2.743 246 HG SER 35 HG SER 35 -8.687 -0.188 4.817 247 H CYS 36 HN CYS 36 -6.610 2.949 2.482 248 HA CYS 36 HA CYS 36 -5.823 1.997 -0.082 249 1HB CYS 36 HB2 CYS 36 -4.237 3.182 2.169 250 2HB CYS 36 HB1 CYS 36 -3.545 2.766 0.603 251 H LYS 37 HN LYS 37 -5.760 -0.119 -0.431 252 HA LYS 37 HA LYS 37 -4.460 -1.853 1.545 253 1HB LYS 37 HB2 LYS 37 -6.130 -2.396 -0.900 254 2HB LYS 37 HB1 LYS 37 -5.134 -3.637 -0.159 255 1HG LYS 37 HG2 LYS 37 -6.363 -3.217 1.990 256 2HG LYS 37 HG1 LYS 37 -7.434 -2.144 1.085 257 1HD LYS 37 HD2 LYS 37 -8.397 -4.384 1.329 258 2HD LYS 37 HD1 LYS 37 -8.079 -4.002 -0.337 259 1HE LYS 37 HE2 LYS 37 -6.007 -5.310 -0.270 260 2HE LYS 37 HE1 LYS 37 -6.337 -5.691 1.417 261 1HZ LYS 37 HZ1 LYS 37 -8.337 -6.840 0.701 262 2HZ LYS 37 HZ2 LYS 37 -6.968 -7.474 -0.063 263 3HZ LYS 37 HZ3 LYS 37 -8.009 -6.451 -0.915 264 H CYS 38 HN CYS 38 -2.508 -2.665 1.256 265 HA CYS 38 HA CYS 38 -0.980 -1.857 -1.116 266 1HB CYS 38 HB2 CYS 38 -0.105 -3.127 1.489 267 2HB CYS 38 HB1 CYS 38 0.971 -2.633 0.186 268 H TYR 39 HN TYR 39 0.144 -3.372 -2.383 269 HA TYR 39 HA TYR 39 -1.147 -5.994 -2.526 270 1HB TYR 39 HB2 TYR 39 1.039 -4.863 -4.291 271 2HB TYR 39 HB1 TYR 39 0.021 -6.261 -4.617 272 HD1 TYR 39 HD1 TYR 39 -2.533 -5.826 -4.828 273 HD2 TYR 39 HD2 TYR 39 0.415 -2.775 -5.085 274 HE1 TYR 39 HE1 TYR 39 -4.125 -4.391 -6.033 275 HE2 TYR 39 HE2 TYR 39 -1.162 -1.333 -6.287 276 HH TYR 39 HH TYR 39 -3.604 -2.197 -7.851 277 H GLY 40 HN GLY 40 0.958 -5.033 -0.416 278 1HA GLY 40 HA2 GLY 40 2.593 -6.026 0.784 279 2HA GLY 40 HA1 GLY 40 2.422 -7.470 -0.211 280 H CYS 41 HN CYS 41 4.038 -7.887 -1.582 281 HA CYS 41 HA CYS 41 5.491 -5.674 -2.827 282 1HB CYS 41 HB2 CYS 41 6.813 -7.899 -1.263 283 2HB CYS 41 HB1 CYS 41 7.670 -6.929 -2.459 Start of MODEL 5 1 1H TRP 1 HT1 TRP 1 4.061 1.897 11.117 2 2H TRP 1 HT2 TRP 1 3.703 2.983 12.397 3 3H TRP 1 HT3 TRP 1 5.062 1.971 12.504 4 HA TRP 1 HA TRP 1 5.624 4.244 11.973 5 1HB TRP 1 HB2 TRP 1 6.156 2.209 9.788 6 2HB TRP 1 HB1 TRP 1 7.059 3.703 10.017 7 HD1 TRP 1 HD1 TRP 1 6.922 0.151 11.193 8 HE1 TRP 1 HE1 TRP 1 8.731 -0.238 12.983 9 HE3 TRP 1 HE3 TRP 1 8.282 5.006 12.050 10 HZ2 TRP 1 HZ2 TRP 1 10.489 1.304 14.555 11 HZ3 TRP 1 HZ3 TRP 1 10.029 5.462 13.721 12 HH2 TRP 1 HH2 TRP 1 11.108 3.648 14.948 13 H CYS 2 HN CYS 2 2.955 4.530 11.515 14 HA CYS 2 HA CYS 2 2.433 5.042 8.727 15 1HB CYS 2 HB2 CYS 2 0.643 4.214 10.116 16 2HB CYS 2 HB1 CYS 2 0.825 5.558 11.232 17 H SER 3 HN SER 3 2.646 6.906 7.687 18 HA SER 3 HA SER 3 3.768 9.222 9.020 19 1HB SER 3 HB2 SER 3 2.907 8.971 6.128 20 2HB SER 3 HB1 SER 3 4.043 10.114 6.824 21 HG SER 3 HG SER 3 4.995 8.274 5.735 22 H THR 4 HN THR 4 0.952 8.814 6.836 23 HA THR 4 HA THR 4 -0.721 10.364 8.632 24 HB THR 4 HB THR 4 -0.374 11.343 5.761 25 HG1 THR 4 HG1 THR 4 0.792 12.396 8.165 26 1HG2 THR 4 HG21 THR 4 -2.445 12.112 6.491 27 2HG2 THR 4 HG22 THR 4 -1.373 13.431 6.937 28 3HG2 THR 4 HG23 THR 4 -1.915 12.291 8.165 29 H CYS 5 HN CYS 5 -0.723 7.680 7.789 30 HA CYS 5 HA CYS 5 -2.620 7.308 5.692 31 1HB CYS 5 HB2 CYS 5 -2.357 4.955 6.043 32 2HB CYS 5 HB1 CYS 5 -0.782 5.724 6.072 33 H LEU 6 HN LEU 6 -2.991 8.211 8.857 34 HA LEU 6 HA LEU 6 -5.323 6.647 9.475 35 1HB LEU 6 HB2 LEU 6 -3.665 7.602 11.151 36 2HB LEU 6 HB1 LEU 6 -4.326 9.186 10.814 37 HG LEU 6 HG LEU 6 -5.140 8.050 12.922 38 1HD1 LEU 6 HD11 LEU 6 -6.379 9.883 11.622 39 2HD1 LEU 6 HD12 LEU 6 -7.280 8.936 12.800 40 3HD1 LEU 6 HD13 LEU 6 -7.455 8.591 11.087 41 1HD2 LEU 6 HD21 LEU 6 -5.312 5.778 11.904 42 2HD2 LEU 6 HD22 LEU 6 -6.744 6.331 11.031 43 3HD2 LEU 6 HD23 LEU 6 -6.744 6.293 12.791 44 H ASP 7 HN ASP 7 -4.539 9.874 8.289 45 HA ASP 7 HA ASP 7 -7.400 10.493 7.921 46 1HB ASP 7 HB2 ASP 7 -4.953 12.255 7.621 47 2HB ASP 7 HB1 ASP 7 -6.630 12.777 7.482 48 H LEU 8 HN LEU 8 -5.830 8.543 6.266 49 HA LEU 8 HA LEU 8 -5.790 9.959 3.709 50 1HB LEU 8 HB2 LEU 8 -3.822 8.549 5.000 51 2HB LEU 8 HB1 LEU 8 -4.372 7.399 3.827 52 HG LEU 8 HG LEU 8 -2.444 8.714 3.054 53 1HD1 LEU 8 HD11 LEU 8 -3.172 8.591 0.975 54 2HD1 LEU 8 HD12 LEU 8 -4.404 9.807 1.207 55 3HD1 LEU 8 HD13 LEU 8 -4.729 8.136 1.609 56 1HD2 LEU 8 HD21 LEU 8 -2.759 11.098 2.522 57 2HD2 LEU 8 HD22 LEU 8 -2.822 10.775 4.234 58 3HD2 LEU 8 HD23 LEU 8 -4.295 11.085 3.343 59 H ALA 9 HN ALA 9 -8.186 8.842 4.824 60 HA ALA 9 HA ALA 9 -8.837 6.317 3.837 61 1HB ALA 9 HB1 ALA 9 -10.673 8.682 4.225 62 2HB ALA 9 HB2 ALA 9 -10.184 7.540 5.475 63 3HB ALA 9 HB3 ALA 9 -11.163 6.991 4.118 64 H CYS 10 HN CYS 10 -7.795 6.308 1.772 65 HA CYS 10 HA CYS 10 -7.452 6.639 -0.392 66 1HB CYS 10 HB2 CYS 10 -9.635 5.461 -0.656 67 2HB CYS 10 HB1 CYS 10 -10.449 7.010 -0.602 68 H THR 11 HN THR 11 -6.819 8.753 1.081 69 HA THR 11 HA THR 11 -7.955 11.135 -0.200 70 HB THR 11 HB THR 11 -5.677 11.125 1.801 71 HG1 THR 11 HG1 THR 11 -7.324 11.331 3.412 72 1HG2 THR 11 HG21 THR 11 -7.757 13.136 0.955 73 2HG2 THR 11 HG22 THR 11 -6.006 13.257 0.789 74 3HG2 THR 11 HG23 THR 11 -6.742 13.320 2.384 75 H GLY 12 HN GLY 12 -6.556 9.132 -1.750 76 1HA GLY 12 HA2 GLY 12 -5.300 9.645 -3.687 77 2HA GLY 12 HA1 GLY 12 -4.294 10.718 -2.732 78 H SER 13 HN SER 13 -4.610 7.600 -3.984 79 HA SER 13 HA SER 13 -3.057 6.092 -2.165 80 1HB SER 13 HB2 SER 13 -3.195 5.863 -5.188 81 2HB SER 13 HB1 SER 13 -2.579 4.631 -4.083 82 HG SER 13 HG SER 13 -5.228 5.525 -4.448 83 H LYS 14 HN LYS 14 -2.308 8.516 -4.552 84 HA LYS 14 HA LYS 14 0.439 8.257 -4.791 85 1HB LYS 14 HB2 LYS 14 -1.255 10.722 -4.786 86 2HB LYS 14 HB1 LYS 14 0.423 10.670 -5.321 87 1HG LYS 14 HG2 LYS 14 -0.146 9.186 -7.116 88 2HG LYS 14 HG1 LYS 14 -1.822 9.099 -6.576 89 1HD LYS 14 HD2 LYS 14 -2.210 11.384 -7.087 90 2HD LYS 14 HD1 LYS 14 -0.492 11.696 -7.348 91 1HE LYS 14 HE2 LYS 14 -2.237 9.910 -9.043 92 2HE LYS 14 HE1 LYS 14 -1.714 11.543 -9.455 93 1HZ LYS 14 HZ1 LYS 14 -0.061 9.105 -9.215 94 2HZ LYS 14 HZ2 LYS 14 0.634 10.650 -9.202 95 3HZ LYS 14 HZ3 LYS 14 -0.245 10.124 -10.546 96 H ASP 15 HN ASP 15 -1.511 9.667 -2.258 97 HA ASP 15 HA ASP 15 0.721 10.802 -0.836 98 1HB ASP 15 HB2 ASP 15 -1.767 11.530 -0.720 99 2HB ASP 15 HB1 ASP 15 -1.980 10.177 0.368 100 H CYS 16 HN CYS 16 -1.454 8.012 -0.439 101 HA CYS 16 HA CYS 16 -0.225 7.086 1.915 102 1HB CYS 16 HB2 CYS 16 -2.542 6.522 1.141 103 2HB CYS 16 HB1 CYS 16 -1.831 5.392 -0.005 104 H TYR 17 HN TYR 17 0.963 6.945 -1.269 105 HA TYR 17 HA TYR 17 2.381 4.538 -1.332 106 1HB TYR 17 HB2 TYR 17 3.085 7.295 -2.347 107 2HB TYR 17 HB1 TYR 17 4.114 5.898 -2.641 108 HD1 TYR 17 HD1 TYR 17 2.876 7.658 -4.753 109 HD2 TYR 17 HD2 TYR 17 1.532 4.021 -2.983 110 HE1 TYR 17 HE1 TYR 17 1.605 7.129 -6.781 111 HE2 TYR 17 HE2 TYR 17 0.269 3.505 -5.000 112 HH TYR 17 HH TYR 17 -0.751 5.326 -7.066 113 H ALA 18 HN ALA 18 3.134 7.609 0.252 114 HA ALA 18 HA ALA 18 5.729 6.884 1.076 115 1HB ALA 18 HB1 ALA 18 5.077 8.758 2.915 116 2HB ALA 18 HB2 ALA 18 3.868 9.088 1.674 117 3HB ALA 18 HB3 ALA 18 5.576 9.103 1.263 118 HA PRO 19 HA PRO 19 3.713 5.697 5.437 119 1HB PRO 19 HB2 PRO 19 0.992 4.997 4.404 120 2HB PRO 19 HB1 PRO 19 1.477 5.675 5.962 121 1HG PRO 19 HG2 PRO 19 0.349 7.190 4.096 122 2HG PRO 19 HG1 PRO 19 1.649 7.811 5.114 123 1HD PRO 19 HD2 PRO 19 1.763 6.960 2.290 124 2HD PRO 19 HD1 PRO 19 2.605 8.243 3.101 125 H CYS 20 HN CYS 20 2.348 4.175 2.498 126 HA CYS 20 HA CYS 20 2.453 1.532 3.461 127 1HB CYS 20 HB2 CYS 20 1.143 2.201 1.481 128 2HB CYS 20 HB1 CYS 20 2.632 2.485 0.590 129 H ARG 21 HN ARG 21 4.793 3.406 1.540 130 HA ARG 21 HA ARG 21 6.745 1.385 1.283 131 1HB ARG 21 HB2 ARG 21 6.954 3.299 -0.093 132 2HB ARG 21 HB1 ARG 21 6.889 4.397 1.278 133 1HG ARG 21 HG2 ARG 21 9.093 3.579 2.017 134 2HG ARG 21 HG1 ARG 21 9.144 2.506 0.617 135 1HD ARG 21 HD2 ARG 21 8.884 5.496 0.469 136 2HD ARG 21 HD1 ARG 21 10.415 4.647 0.402 137 HE ARG 21 HE ARG 21 9.480 3.465 -1.605 138 1HH1 ARG 21 HH11 ARG 21 8.495 6.744 -0.767 139 2HH1 ARG 21 HH12 ARG 21 8.090 7.141 -2.388 140 1HH2 ARG 21 HH21 ARG 21 8.979 4.051 -3.735 141 2HH2 ARG 21 HH22 ARG 21 8.347 5.624 -4.074 142 H LYS 22 HN LYS 22 6.229 3.880 3.748 143 HA LYS 22 HA LYS 22 8.565 3.326 5.227 144 1HB LYS 22 HB2 LYS 22 7.187 5.422 5.341 145 2HB LYS 22 HB1 LYS 22 5.973 4.527 6.239 146 1HG LYS 22 HG2 LYS 22 7.315 5.796 7.752 147 2HG LYS 22 HG1 LYS 22 7.642 4.082 8.000 148 1HD LYS 22 HD2 LYS 22 9.695 4.242 6.734 149 2HD LYS 22 HD1 LYS 22 9.358 5.929 6.338 150 1HE LYS 22 HE2 LYS 22 9.836 4.813 9.102 151 2HE LYS 22 HE1 LYS 22 10.994 5.729 8.138 152 1HZ LYS 22 HZ1 LYS 22 9.292 7.568 8.134 153 2HZ LYS 22 HZ2 LYS 22 10.023 7.238 9.621 154 3HZ LYS 22 HZ3 LYS 22 8.457 6.690 9.319 155 H GLN 23 HN GLN 23 5.372 1.905 5.227 156 HA GLN 23 HA GLN 23 5.723 0.563 7.758 157 1HB GLN 23 HB2 GLN 23 3.519 1.340 6.909 158 2HB GLN 23 HB1 GLN 23 3.612 0.145 5.624 159 1HG GLN 23 HG2 GLN 23 3.765 -1.616 7.422 160 2HG GLN 23 HG1 GLN 23 3.426 -0.337 8.588 161 1HE2 GLN 23 HE21 GLN 23 1.869 -2.727 7.936 162 2HE2 GLN 23 HE22 GLN 23 0.322 -2.143 7.438 163 H THR 24 HN THR 24 5.180 -0.648 4.429 164 HA THR 24 HA THR 24 6.094 -3.274 5.245 165 HB THR 24 HB THR 24 5.415 -3.968 2.973 166 HG1 THR 24 HG1 THR 24 4.853 -2.489 1.461 167 1HG2 THR 24 HG21 THR 24 3.388 -2.150 4.280 168 2HG2 THR 24 HG22 THR 24 3.693 -3.834 4.709 169 3HG2 THR 24 HG23 THR 24 3.042 -3.432 3.121 170 H GLY 25 HN GLY 25 7.319 -0.574 3.372 171 1HA GLY 25 HA2 GLY 25 9.700 -0.390 3.009 172 2HA GLY 25 HA1 GLY 25 9.779 -2.129 2.806 173 H CYS 26 HN CYS 26 6.982 -1.461 1.348 174 HA CYS 26 HA CYS 26 8.214 -0.757 -1.216 175 1HB CYS 26 HB2 CYS 26 6.225 -2.983 -0.760 176 2HB CYS 26 HB1 CYS 26 6.924 -2.509 -2.308 177 HA PRO 27 HA PRO 27 4.872 2.135 -1.191 178 1HB PRO 27 HB2 PRO 27 5.419 3.418 -3.444 179 2HB PRO 27 HB1 PRO 27 6.629 3.330 -2.166 180 1HG PRO 27 HG2 PRO 27 6.407 1.651 -4.638 181 2HG PRO 27 HG1 PRO 27 7.827 2.477 -3.988 182 1HD PRO 27 HD2 PRO 27 7.262 -0.178 -3.561 183 2HD PRO 27 HD1 PRO 27 8.256 0.824 -2.484 184 H ASN 28 HN ASN 28 4.256 -0.622 -2.442 185 HA ASN 28 HA ASN 28 2.579 0.022 -4.708 186 1HB ASN 28 HB2 ASN 28 2.973 -2.553 -3.158 187 2HB ASN 28 HB1 ASN 28 1.989 -2.385 -4.595 188 1HD2 ASN 28 HD21 ASN 28 3.179 -3.891 -5.730 189 2HD2 ASN 28 HD22 ASN 28 4.759 -3.519 -6.319 190 H ALA 29 HN ALA 29 0.964 1.404 -3.928 191 HA ALA 29 HA ALA 29 -0.933 0.159 -2.033 192 1HB ALA 29 HB1 ALA 29 -1.264 2.250 -0.929 193 2HB ALA 29 HB2 ALA 29 -0.173 3.070 -2.046 194 3HB ALA 29 HB3 ALA 29 0.457 1.870 -0.919 195 H LYS 30 HN LYS 30 -3.070 0.528 -2.346 196 HA LYS 30 HA LYS 30 -3.990 2.387 -4.396 197 1HB LYS 30 HB2 LYS 30 -3.540 0.211 -5.575 198 2HB LYS 30 HB1 LYS 30 -4.728 -0.556 -4.527 199 1HG LYS 30 HG2 LYS 30 -6.435 1.029 -5.420 200 2HG LYS 30 HG1 LYS 30 -5.206 1.636 -6.533 201 1HD LYS 30 HD2 LYS 30 -4.967 -0.692 -7.408 202 2HD LYS 30 HD1 LYS 30 -6.319 -1.168 -6.386 203 1HE LYS 30 HE2 LYS 30 -7.093 -0.762 -8.628 204 2HE LYS 30 HE1 LYS 30 -7.723 0.496 -7.567 205 1HZ LYS 30 HZ1 LYS 30 -6.130 2.029 -8.387 206 2HZ LYS 30 HZ2 LYS 30 -6.830 1.288 -9.732 207 3HZ LYS 30 HZ3 LYS 30 -5.282 0.830 -9.233 208 H CYS 31 HN CYS 31 -5.966 3.244 -3.788 209 HA CYS 31 HA CYS 31 -6.904 2.442 -1.188 210 1HB CYS 31 HB2 CYS 31 -8.135 4.388 -1.109 211 2HB CYS 31 HB1 CYS 31 -6.686 4.846 -1.970 212 H ILE 32 HN ILE 32 -8.439 1.085 -0.751 213 HA ILE 32 HA ILE 32 -10.801 0.923 -2.450 214 HB ILE 32 HB ILE 32 -10.856 -1.615 -2.093 215 1HG1 ILE 32 HG12 ILE 32 -8.398 -2.549 -2.151 216 2HG1 ILE 32 HG11 ILE 32 -7.984 -1.055 -1.333 217 1HG2 ILE 32 HG21 ILE 32 -10.539 -0.605 -4.268 218 2HG2 ILE 32 HG22 ILE 32 -9.587 -2.080 -4.110 219 3HG2 ILE 32 HG23 ILE 32 -8.800 -0.505 -3.988 220 1HD1 ILE 32 HD11 ILE 32 -8.669 -3.336 -0.109 221 2HD1 ILE 32 HD12 ILE 32 -10.244 -2.551 -0.169 222 3HD1 ILE 32 HD13 ILE 32 -8.878 -1.742 0.601 223 H ASN 33 HN ASN 33 -12.674 0.496 -1.258 224 HA ASN 33 HA ASN 33 -14.002 0.643 0.584 225 1HB ASN 33 HB2 ASN 33 -11.787 -1.073 1.752 226 2HB ASN 33 HB1 ASN 33 -13.298 -0.737 2.584 227 1HD2 ASN 33 HD21 ASN 33 -13.637 -3.018 2.623 228 2HD2 ASN 33 HD22 ASN 33 -14.241 -3.818 1.216 229 H LYS 34 HN LYS 34 -12.499 2.837 0.089 230 HA LYS 34 HA LYS 34 -11.466 4.665 0.830 231 1HB LYS 34 HB2 LYS 34 -12.394 5.752 2.786 232 2HB LYS 34 HB1 LYS 34 -13.649 5.036 1.791 233 1HG LYS 34 HG2 LYS 34 -13.984 3.258 3.350 234 2HG LYS 34 HG1 LYS 34 -12.572 3.742 4.288 235 1HD LYS 34 HD2 LYS 34 -14.657 4.456 5.352 236 2HD LYS 34 HD1 LYS 34 -13.657 5.832 4.888 237 1HE LYS 34 HE2 LYS 34 -15.993 6.236 4.376 238 2HE LYS 34 HE1 LYS 34 -15.055 6.169 2.894 239 1HZ LYS 34 HZ1 LYS 34 -15.854 3.965 2.481 240 2HZ LYS 34 HZ2 LYS 34 -17.182 4.956 2.801 241 3HZ LYS 34 HZ3 LYS 34 -16.624 3.892 3.989 242 H SER 35 HN SER 35 -9.974 2.273 1.294 243 HA SER 35 HA SER 35 -8.163 3.327 3.337 244 1HB SER 35 HB2 SER 35 -8.957 0.402 3.163 245 2HB SER 35 HB1 SER 35 -7.796 1.116 4.285 246 HG SER 35 HG SER 35 -9.911 0.786 5.185 247 H CYS 36 HN CYS 36 -6.093 3.301 2.621 248 HA CYS 36 HA CYS 36 -5.611 2.337 -0.055 249 1HB CYS 36 HB2 CYS 36 -3.283 3.222 0.339 250 2HB CYS 36 HB1 CYS 36 -4.601 4.383 0.367 251 H LYS 37 HN LYS 37 -5.477 0.236 -0.298 252 HA LYS 37 HA LYS 37 -4.142 -1.437 1.682 253 1HB LYS 37 HB2 LYS 37 -6.278 -2.160 0.751 254 2HB LYS 37 HB1 LYS 37 -5.608 -2.073 -0.866 255 1HG LYS 37 HG2 LYS 37 -3.978 -3.882 -0.175 256 2HG LYS 37 HG1 LYS 37 -4.876 -3.995 1.338 257 1HD LYS 37 HD2 LYS 37 -5.599 -5.700 -0.239 258 2HD LYS 37 HD1 LYS 37 -6.905 -4.562 0.089 259 1HE LYS 37 HE2 LYS 37 -6.322 -3.369 -2.025 260 2HE LYS 37 HE1 LYS 37 -5.103 -4.601 -2.334 261 1HZ LYS 37 HZ1 LYS 37 -8.024 -5.050 -2.083 262 2HZ LYS 37 HZ2 LYS 37 -6.866 -6.244 -2.402 263 3HZ LYS 37 HZ3 LYS 37 -7.144 -5.013 -3.526 264 H CYS 38 HN CYS 38 -2.202 -2.394 1.383 265 HA CYS 38 HA CYS 38 -0.649 -1.566 -0.934 266 1HB CYS 38 HB2 CYS 38 0.170 -3.003 1.587 267 2HB CYS 38 HB1 CYS 38 1.276 -2.484 0.320 268 H TYR 39 HN TYR 39 0.386 -3.013 -2.330 269 HA TYR 39 HA TYR 39 -0.982 -5.537 -2.766 270 1HB TYR 39 HB2 TYR 39 1.390 -4.295 -4.173 271 2HB TYR 39 HB1 TYR 39 0.584 -5.758 -4.688 272 HD1 TYR 39 HD1 TYR 39 0.053 -2.111 -4.233 273 HD2 TYR 39 HD2 TYR 39 -1.285 -5.676 -6.097 274 HE1 TYR 39 HE1 TYR 39 -1.395 -0.775 -5.673 275 HE2 TYR 39 HE2 TYR 39 -2.764 -4.356 -7.544 276 HH TYR 39 HH TYR 39 -2.518 -1.567 -8.350 277 H GLY 40 HN GLY 40 0.826 -5.066 -0.327 278 1HA GLY 40 HA2 GLY 40 2.317 -6.240 0.897 279 2HA GLY 40 HA1 GLY 40 2.282 -7.516 -0.317 280 H CYS 41 HN CYS 41 3.813 -7.561 -1.881 281 HA CYS 41 HA CYS 41 5.256 -5.409 -2.854 282 1HB CYS 41 HB2 CYS 41 6.326 -5.464 -0.557 283 2HB CYS 41 HB1 CYS 41 6.967 -7.043 -0.957 Start of MODEL 6 1 1H TRP 1 HT1 TRP 1 0.757 0.299 12.476 2 2H TRP 1 HT2 TRP 1 1.170 -1.354 12.642 3 3H TRP 1 HT3 TRP 1 1.046 -0.660 11.081 4 HA TRP 1 HA TRP 1 3.041 -0.144 13.182 5 1HB TRP 1 HB2 TRP 1 3.088 -1.410 10.453 6 2HB TRP 1 HB1 TRP 1 4.561 -0.746 11.150 7 HD1 TRP 1 HD1 TRP 1 2.078 -3.628 11.600 8 HE1 TRP 1 HE1 TRP 1 3.167 -5.398 13.120 9 HE3 TRP 1 HE3 TRP 1 6.250 -1.037 13.010 10 HZ2 TRP 1 HZ2 TRP 1 5.484 -5.659 14.707 11 HZ3 TRP 1 HZ3 TRP 1 7.849 -2.118 14.532 12 HH2 TRP 1 HH2 TRP 1 7.472 -4.380 15.361 13 H CYS 2 HN CYS 2 1.463 1.131 10.322 14 HA CYS 2 HA CYS 2 3.423 3.283 10.109 15 1HB CYS 2 HB2 CYS 2 2.009 4.054 8.212 16 2HB CYS 2 HB1 CYS 2 2.660 2.440 8.035 17 H SER 3 HN SER 3 3.275 4.940 11.447 18 HA SER 3 HA SER 3 0.900 5.520 12.940 19 1HB SER 3 HB2 SER 3 3.142 5.827 13.895 20 2HB SER 3 HB1 SER 3 3.500 7.061 12.689 21 HG SER 3 HG SER 3 1.683 7.168 14.847 22 H THR 4 HN THR 4 2.062 6.474 9.866 23 HA THR 4 HA THR 4 0.699 9.024 9.817 24 HB THR 4 HB THR 4 1.352 8.866 7.315 25 HG1 THR 4 HG1 THR 4 1.672 6.489 7.494 26 1HG2 THR 4 HG21 THR 4 3.534 8.769 9.395 27 2HG2 THR 4 HG22 THR 4 2.611 10.198 8.927 28 3HG2 THR 4 HG23 THR 4 3.678 9.416 7.761 29 H CYS 5 HN CYS 5 -0.362 5.868 9.616 30 HA CYS 5 HA CYS 5 -2.310 6.332 7.504 31 1HB CYS 5 HB2 CYS 5 -1.858 3.912 9.259 32 2HB CYS 5 HB1 CYS 5 -2.913 3.992 7.852 33 H LEU 6 HN LEU 6 -3.389 8.084 8.709 34 HA LEU 6 HA LEU 6 -5.354 6.962 10.608 35 1HB LEU 6 HB2 LEU 6 -5.448 8.984 11.838 36 2HB LEU 6 HB1 LEU 6 -3.787 8.433 11.803 37 HG LEU 6 HG LEU 6 -4.780 10.603 9.942 38 1HD1 LEU 6 HD11 LEU 6 -3.925 12.231 11.499 39 2HD1 LEU 6 HD12 LEU 6 -3.559 10.952 12.660 40 3HD1 LEU 6 HD13 LEU 6 -5.233 11.297 12.222 41 1HD2 LEU 6 HD21 LEU 6 -2.090 9.567 10.784 42 2HD2 LEU 6 HD22 LEU 6 -2.286 11.208 10.166 43 3HD2 LEU 6 HD23 LEU 6 -2.723 9.840 9.164 44 H ASP 7 HN ASP 7 -4.763 9.454 8.125 45 HA ASP 7 HA ASP 7 -7.585 9.218 7.339 46 1HB ASP 7 HB2 ASP 7 -7.240 11.123 9.020 47 2HB ASP 7 HB1 ASP 7 -6.308 11.937 7.772 48 H LEU 8 HN LEU 8 -6.648 8.121 5.531 49 HA LEU 8 HA LEU 8 -5.574 10.004 3.510 50 1HB LEU 8 HB2 LEU 8 -4.733 7.124 3.952 51 2HB LEU 8 HB1 LEU 8 -4.323 8.065 2.539 52 HG LEU 8 HG LEU 8 -2.400 8.053 3.856 53 1HD1 LEU 8 HD11 LEU 8 -2.036 10.378 4.401 54 2HD1 LEU 8 HD12 LEU 8 -3.761 10.688 4.368 55 3HD1 LEU 8 HD13 LEU 8 -2.924 10.219 2.897 56 1HD2 LEU 8 HD21 LEU 8 -3.969 7.585 6.004 57 2HD2 LEU 8 HD22 LEU 8 -3.523 9.266 6.297 58 3HD2 LEU 8 HD23 LEU 8 -2.279 8.045 6.068 59 H ALA 9 HN ALA 9 -8.267 9.163 4.148 60 HA ALA 9 HA ALA 9 -9.228 7.026 2.794 61 1HB ALA 9 HB1 ALA 9 -10.662 9.618 3.303 62 2HB ALA 9 HB2 ALA 9 -10.488 8.285 4.443 63 3HB ALA 9 HB3 ALA 9 -11.431 8.065 2.971 64 H CYS 10 HN CYS 10 -8.089 6.952 0.797 65 HA CYS 10 HA CYS 10 -7.789 7.204 -1.425 66 1HB CYS 10 HB2 CYS 10 -10.703 7.983 -1.231 67 2HB CYS 10 HB1 CYS 10 -9.861 7.816 -2.769 68 H THR 11 HN THR 11 -6.730 9.159 0.053 69 HA THR 11 HA THR 11 -7.401 11.729 -1.119 70 HB THR 11 HB THR 11 -6.506 11.598 1.206 71 HG1 THR 11 HG1 THR 11 -6.147 13.551 0.244 72 1HG2 THR 11 HG21 THR 11 -3.912 10.779 -0.106 73 2HG2 THR 11 HG22 THR 11 -4.933 9.724 0.867 74 3HG2 THR 11 HG23 THR 11 -4.175 11.133 1.591 75 H GLY 12 HN GLY 12 -5.592 8.992 -1.980 76 1HA GLY 12 HA2 GLY 12 -5.039 9.409 -4.473 77 2HA GLY 12 HA1 GLY 12 -3.817 10.469 -3.784 78 H SER 13 HN SER 13 -3.887 7.718 -5.239 79 HA SER 13 HA SER 13 -2.781 5.806 -3.490 80 1HB SER 13 HB2 SER 13 -2.255 6.152 -6.460 81 2HB SER 13 HB1 SER 13 -1.986 4.686 -5.513 82 HG SER 13 HG SER 13 -4.404 5.867 -6.323 83 H LYS 14 HN LYS 14 -1.292 8.275 -5.543 84 HA LYS 14 HA LYS 14 1.400 7.766 -5.060 85 1HB LYS 14 HB2 LYS 14 1.761 10.152 -5.626 86 2HB LYS 14 HB1 LYS 14 0.662 9.353 -6.744 87 1HG LYS 14 HG2 LYS 14 -1.252 10.364 -5.669 88 2HG LYS 14 HG1 LYS 14 -0.216 11.087 -4.444 89 1HD LYS 14 HD2 LYS 14 0.918 12.387 -6.203 90 2HD LYS 14 HD1 LYS 14 -0.198 11.703 -7.389 91 1HE LYS 14 HE2 LYS 14 -0.904 13.931 -6.680 92 2HE LYS 14 HE1 LYS 14 -2.084 12.708 -6.209 93 1HZ LYS 14 HZ1 LYS 14 -1.195 14.554 -4.556 94 2HZ LYS 14 HZ2 LYS 14 -0.028 13.374 -4.233 95 3HZ LYS 14 HZ3 LYS 14 -1.671 13.024 -4.036 96 H ASP 15 HN ASP 15 -0.990 9.349 -3.044 97 HA ASP 15 HA ASP 15 0.885 10.441 -1.162 98 1HB ASP 15 HB2 ASP 15 -2.103 9.991 -1.031 99 2HB ASP 15 HB1 ASP 15 -1.183 10.781 0.236 100 H CYS 16 HN CYS 16 -1.309 7.669 -1.253 101 HA CYS 16 HA CYS 16 -0.601 6.665 1.306 102 1HB CYS 16 HB2 CYS 16 -1.846 5.253 -1.063 103 2HB CYS 16 HB1 CYS 16 -1.791 4.636 0.587 104 H TYR 17 HN TYR 17 1.011 6.592 -1.717 105 HA TYR 17 HA TYR 17 2.516 4.252 -1.610 106 1HB TYR 17 HB2 TYR 17 2.807 6.924 -2.841 107 2HB TYR 17 HB1 TYR 17 4.318 6.087 -2.585 108 HD1 TYR 17 HD1 TYR 17 0.908 5.088 -3.773 109 HD2 TYR 17 HD2 TYR 17 5.085 5.070 -4.498 110 HE1 TYR 17 HE1 TYR 17 0.512 3.871 -5.852 111 HE2 TYR 17 HE2 TYR 17 4.712 3.813 -6.577 112 HH TYR 17 HH TYR 17 2.375 2.119 -7.310 113 H ALA 18 HN ALA 18 2.984 7.356 0.026 114 HA ALA 18 HA ALA 18 5.560 6.797 0.996 115 1HB ALA 18 HB1 ALA 18 5.318 8.982 1.243 116 2HB ALA 18 HB2 ALA 18 4.591 8.617 2.803 117 3HB ALA 18 HB3 ALA 18 3.569 8.899 1.395 118 HA PRO 19 HA PRO 19 3.541 5.513 5.256 119 1HB PRO 19 HB2 PRO 19 0.791 4.770 4.366 120 2HB PRO 19 HB1 PRO 19 1.333 5.563 5.840 121 1HG PRO 19 HG2 PRO 19 0.111 6.940 3.931 122 2HG PRO 19 HG1 PRO 19 1.462 7.647 4.837 123 1HD PRO 19 HD2 PRO 19 1.441 6.482 2.110 124 2HD PRO 19 HD1 PRO 19 2.245 7.915 2.694 125 H CYS 20 HN CYS 20 2.106 3.953 2.377 126 HA CYS 20 HA CYS 20 2.192 1.324 3.359 127 1HB CYS 20 HB2 CYS 20 0.872 1.978 1.398 128 2HB CYS 20 HB1 CYS 20 2.347 2.290 0.493 129 H ARG 21 HN ARG 21 4.542 3.110 1.355 130 HA ARG 21 HA ARG 21 6.402 0.958 1.188 131 1HB ARG 21 HB2 ARG 21 6.306 2.897 -0.360 132 2HB ARG 21 HB1 ARG 21 6.933 3.924 0.893 133 1HG ARG 21 HG2 ARG 21 8.987 2.610 0.960 134 2HG ARG 21 HG1 ARG 21 8.356 1.549 -0.300 135 1HD ARG 21 HD2 ARG 21 9.851 3.121 -1.286 136 2HD ARG 21 HD1 ARG 21 8.233 3.503 -1.816 137 HE ARG 21 HE ARG 21 9.793 4.974 0.222 138 1HH1 ARG 21 HH11 ARG 21 7.210 4.936 -2.167 139 2HH1 ARG 21 HH12 ARG 21 6.911 6.616 -2.023 140 1HH2 ARG 21 HH21 ARG 21 9.368 7.215 0.374 141 2HH2 ARG 21 HH22 ARG 21 8.118 7.915 -0.601 142 H LYS 22 HN LYS 22 5.998 3.691 3.384 143 HA LYS 22 HA LYS 22 8.473 3.391 4.717 144 1HB LYS 22 HB2 LYS 22 6.937 5.405 4.732 145 2HB LYS 22 HB1 LYS 22 5.948 4.559 5.915 146 1HG LYS 22 HG2 LYS 22 7.814 4.499 7.458 147 2HG LYS 22 HG1 LYS 22 8.868 5.239 6.246 148 1HD LYS 22 HD2 LYS 22 7.325 7.217 6.238 149 2HD LYS 22 HD1 LYS 22 6.465 6.474 7.590 150 1HE LYS 22 HE2 LYS 22 8.524 6.517 8.916 151 2HE LYS 22 HE1 LYS 22 9.381 7.253 7.560 152 1HZ LYS 22 HZ1 LYS 22 7.910 9.166 7.717 153 2HZ LYS 22 HZ2 LYS 22 8.711 8.901 9.182 154 3HZ LYS 22 HZ3 LYS 22 7.088 8.459 9.019 155 H GLN 23 HN GLN 23 5.376 1.801 5.068 156 HA GLN 23 HA GLN 23 6.068 0.623 7.625 157 1HB GLN 23 HB2 GLN 23 3.722 1.224 6.836 158 2HB GLN 23 HB1 GLN 23 3.782 -0.180 5.803 159 1HG GLN 23 HG2 GLN 23 4.254 -0.358 8.774 160 2HG GLN 23 HG1 GLN 23 2.642 -0.384 8.074 161 1HE2 GLN 23 HE21 GLN 23 5.591 -2.171 8.534 162 2HE2 GLN 23 HE22 GLN 23 4.989 -3.671 7.926 163 H THR 24 HN THR 24 5.220 -0.819 4.445 164 HA THR 24 HA THR 24 6.478 -3.290 5.236 165 HB THR 24 HB THR 24 5.758 -4.089 3.011 166 HG1 THR 24 HG1 THR 24 4.765 -2.734 1.579 167 1HG2 THR 24 HG21 THR 24 3.608 -2.667 4.554 168 2HG2 THR 24 HG22 THR 24 4.229 -4.286 4.881 169 3HG2 THR 24 HG23 THR 24 3.346 -3.965 3.388 170 H GLY 25 HN GLY 25 7.165 -0.758 2.860 171 1HA GLY 25 HA2 GLY 25 9.572 -0.413 2.303 172 2HA GLY 25 HA1 GLY 25 9.692 -2.161 2.170 173 H CYS 26 HN CYS 26 6.799 -2.020 1.096 174 HA CYS 26 HA CYS 26 7.556 -1.439 -1.676 175 1HB CYS 26 HB2 CYS 26 5.376 -3.210 -0.604 176 2HB CYS 26 HB1 CYS 26 5.702 -2.930 -2.300 177 HA PRO 27 HA PRO 27 4.577 1.893 -1.200 178 1HB PRO 27 HB2 PRO 27 5.117 3.174 -3.453 179 2HB PRO 27 HB1 PRO 27 6.304 3.081 -2.193 180 1HG PRO 27 HG2 PRO 27 6.134 1.545 -4.727 181 2HG PRO 27 HG1 PRO 27 7.561 2.212 -3.916 182 1HD PRO 27 HD2 PRO 27 6.694 -0.437 -3.764 183 2HD PRO 27 HD1 PRO 27 7.829 0.354 -2.651 184 H ASN 28 HN ASN 28 4.078 -0.808 -2.879 185 HA ASN 28 HA ASN 28 2.273 0.018 -4.919 186 1HB ASN 28 HB2 ASN 28 2.697 -2.694 -3.631 187 2HB ASN 28 HB1 ASN 28 1.792 -2.388 -5.102 188 1HD2 ASN 28 HD21 ASN 28 4.209 -4.004 -4.590 189 2HD2 ASN 28 HD22 ASN 28 5.358 -3.418 -5.738 190 H ALA 29 HN ALA 29 0.618 1.249 -4.065 191 HA ALA 29 HA ALA 29 -1.164 -0.120 -2.157 192 1HB ALA 29 HB1 ALA 29 -1.668 2.019 -1.143 193 2HB ALA 29 HB2 ALA 29 -0.570 2.828 -2.264 194 3HB ALA 29 HB3 ALA 29 0.063 1.692 -1.074 195 H LYS 30 HN LYS 30 -3.347 0.178 -2.363 196 HA LYS 30 HA LYS 30 -4.394 1.736 -4.619 197 1HB LYS 30 HB2 LYS 30 -4.084 -0.616 -5.412 198 2HB LYS 30 HB1 LYS 30 -5.128 -1.168 -4.116 199 1HG LYS 30 HG2 LYS 30 -6.404 -1.098 -6.109 200 2HG LYS 30 HG1 LYS 30 -6.966 0.219 -5.082 201 1HD LYS 30 HD2 LYS 30 -5.658 1.815 -6.367 202 2HD LYS 30 HD1 LYS 30 -4.997 0.512 -7.358 203 1HE LYS 30 HE2 LYS 30 -7.897 1.336 -7.198 204 2HE LYS 30 HE1 LYS 30 -6.787 1.688 -8.520 205 1HZ LYS 30 HZ1 LYS 30 -8.062 -0.157 -9.170 206 2HZ LYS 30 HZ2 LYS 30 -7.842 -0.953 -7.699 207 3HZ LYS 30 HZ3 LYS 30 -6.543 -0.786 -8.773 208 H CYS 31 HN CYS 31 -6.173 2.863 -3.955 209 HA CYS 31 HA CYS 31 -7.027 2.481 -1.229 210 1HB CYS 31 HB2 CYS 31 -6.690 4.739 -2.265 211 2HB CYS 31 HB1 CYS 31 -8.145 4.457 -3.197 212 H ILE 32 HN ILE 32 -8.602 1.219 -0.585 213 HA ILE 32 HA ILE 32 -11.002 0.960 -2.272 214 HB ILE 32 HB ILE 32 -11.263 -1.392 -1.613 215 1HG1 ILE 32 HG12 ILE 32 -8.389 -1.356 -0.672 216 2HG1 ILE 32 HG11 ILE 32 -9.711 -1.146 0.449 217 1HG2 ILE 32 HG21 ILE 32 -9.587 -2.350 -3.108 218 2HG2 ILE 32 HG22 ILE 32 -8.665 -0.847 -3.047 219 3HG2 ILE 32 HG23 ILE 32 -10.273 -0.867 -3.770 220 1HD1 ILE 32 HD11 ILE 32 -9.047 -3.401 0.494 221 2HD1 ILE 32 HD12 ILE 32 -9.204 -3.537 -1.257 222 3HD1 ILE 32 HD13 ILE 32 -10.638 -3.302 -0.258 223 H ASN 33 HN ASN 33 -12.877 1.099 -1.143 224 HA ASN 33 HA ASN 33 -14.282 1.646 0.544 225 1HB ASN 33 HB2 ASN 33 -12.472 -0.067 2.270 226 2HB ASN 33 HB1 ASN 33 -14.157 0.342 2.585 227 1HD2 ASN 33 HD21 ASN 33 -12.947 -2.280 2.371 228 2HD2 ASN 33 HD22 ASN 33 -13.767 -3.073 1.073 229 H LYS 34 HN LYS 34 -12.277 3.526 0.018 230 HA LYS 34 HA LYS 34 -11.360 5.414 0.823 231 1HB LYS 34 HB2 LYS 34 -13.302 4.771 2.999 232 2HB LYS 34 HB1 LYS 34 -12.106 5.998 3.314 233 1HG LYS 34 HG2 LYS 34 -14.095 7.030 2.583 234 2HG LYS 34 HG1 LYS 34 -12.859 7.231 1.341 235 1HD LYS 34 HD2 LYS 34 -13.854 5.486 0.001 236 2HD LYS 34 HD1 LYS 34 -15.028 5.128 1.272 237 1HE LYS 34 HE2 LYS 34 -16.019 6.476 -0.507 238 2HE LYS 34 HE1 LYS 34 -16.000 7.345 1.025 239 1HZ LYS 34 HZ1 LYS 34 -14.179 8.657 0.292 240 2HZ LYS 34 HZ2 LYS 34 -15.327 8.673 -0.944 241 3HZ LYS 34 HZ3 LYS 34 -13.946 7.710 -1.094 242 H SER 35 HN SER 35 -10.102 2.733 1.334 243 HA SER 35 HA SER 35 -8.101 3.706 3.235 244 1HB SER 35 HB2 SER 35 -9.643 2.214 4.480 245 2HB SER 35 HB1 SER 35 -9.280 0.915 3.345 246 HG SER 35 HG SER 35 -7.948 0.682 5.114 247 H CYS 36 HN CYS 36 -6.216 3.680 2.237 248 HA CYS 36 HA CYS 36 -5.761 2.234 -0.190 249 1HB CYS 36 HB2 CYS 36 -3.858 3.739 1.589 250 2HB CYS 36 HB1 CYS 36 -3.457 3.106 -0.007 251 H LYS 37 HN LYS 37 -5.513 0.090 -0.210 252 HA LYS 37 HA LYS 37 -4.057 -1.204 2.002 253 1HB LYS 37 HB2 LYS 37 -4.864 -3.279 1.182 254 2HB LYS 37 HB1 LYS 37 -6.230 -2.175 1.269 255 1HG LYS 37 HG2 LYS 37 -6.345 -1.928 -1.039 256 2HG LYS 37 HG1 LYS 37 -4.740 -2.603 -1.305 257 1HD LYS 37 HD2 LYS 37 -5.502 -4.781 -0.549 258 2HD LYS 37 HD1 LYS 37 -7.115 -4.130 -0.258 259 1HE LYS 37 HE2 LYS 37 -7.351 -3.611 -2.614 260 2HE LYS 37 HE1 LYS 37 -5.709 -4.185 -2.922 261 1HZ LYS 37 HZ1 LYS 37 -7.346 -5.851 -3.484 262 2HZ LYS 37 HZ2 LYS 37 -7.959 -5.840 -1.909 263 3HZ LYS 37 HZ3 LYS 37 -6.383 -6.389 -2.202 264 H CYS 38 HN CYS 38 -2.438 -2.848 1.373 265 HA CYS 38 HA CYS 38 -0.867 -1.871 -0.923 266 1HB CYS 38 HB2 CYS 38 0.050 -3.274 1.585 267 2HB CYS 38 HB1 CYS 38 1.095 -2.731 0.277 268 H TYR 39 HN TYR 39 0.227 -3.384 -2.241 269 HA TYR 39 HA TYR 39 -1.337 -5.764 -2.722 270 1HB TYR 39 HB2 TYR 39 1.108 -4.631 -4.087 271 2HB TYR 39 HB1 TYR 39 0.287 -6.088 -4.628 272 HD1 TYR 39 HD1 TYR 39 -1.824 -5.976 -5.794 273 HD2 TYR 39 HD2 TYR 39 -0.004 -2.451 -4.341 274 HE1 TYR 39 HE1 TYR 39 -3.331 -4.617 -7.181 275 HE2 TYR 39 HE2 TYR 39 -1.478 -1.070 -5.708 276 HH TYR 39 HH TYR 39 -2.943 -1.875 -8.178 277 H GLY 40 HN GLY 40 0.316 -5.663 -0.218 278 1HA GLY 40 HA2 GLY 40 1.271 -7.270 1.036 279 2HA GLY 40 HA1 GLY 40 1.274 -8.333 -0.357 280 H CYS 41 HN CYS 41 3.237 -7.092 1.812 281 HA CYS 41 HA CYS 41 5.556 -7.403 0.083 282 1HB CYS 41 HB2 CYS 41 4.959 -4.955 0.100 283 2HB CYS 41 HB1 CYS 41 5.276 -4.953 1.795 Start of MODEL 7 1 1H TRP 1 HT1 TRP 1 1.836 0.992 13.376 2 2H TRP 1 HT2 TRP 1 1.658 -0.700 13.200 3 3H TRP 1 HT3 TRP 1 1.309 0.337 11.880 4 HA TRP 1 HA TRP 1 3.925 -0.167 13.151 5 1HB TRP 1 HB2 TRP 1 2.998 -1.935 11.628 6 2HB TRP 1 HB1 TRP 1 2.947 -0.746 10.335 7 HD1 TRP 1 HD1 TRP 1 5.467 0.309 9.646 8 HE1 TRP 1 HE1 TRP 1 7.709 -0.941 9.480 9 HE3 TRP 1 HE3 TRP 1 4.336 -3.785 12.499 10 HZ2 TRP 1 HZ2 TRP 1 8.845 -3.340 10.420 11 HZ3 TRP 1 HZ3 TRP 1 6.058 -5.513 12.808 12 HH2 TRP 1 HH2 TRP 1 8.266 -5.293 11.789 13 H CYS 2 HN CYS 2 2.249 1.469 10.472 14 HA CYS 2 HA CYS 2 4.513 3.228 10.038 15 1HB CYS 2 HB2 CYS 2 2.980 4.237 8.284 16 2HB CYS 2 HB1 CYS 2 3.442 2.566 8.067 17 H SER 3 HN SER 3 4.830 4.940 11.282 18 HA SER 3 HA SER 3 2.769 6.039 12.958 19 1HB SER 3 HB2 SER 3 5.574 7.070 12.458 20 2HB SER 3 HB1 SER 3 4.526 7.457 13.826 21 HG SER 3 HG SER 3 4.782 5.423 14.604 22 H THR 4 HN THR 4 1.944 6.349 10.355 23 HA THR 4 HA THR 4 1.671 9.231 10.191 24 HB THR 4 HB THR 4 2.413 7.652 7.690 25 HG1 THR 4 HG1 THR 4 4.274 7.635 8.864 26 1HG2 THR 4 HG21 THR 4 2.849 9.894 6.779 27 2HG2 THR 4 HG22 THR 4 2.306 10.614 8.293 28 3HG2 THR 4 HG23 THR 4 1.172 9.711 7.288 29 H CYS 5 HN CYS 5 0.586 6.021 9.616 30 HA CYS 5 HA CYS 5 -1.603 6.697 7.938 31 1HB CYS 5 HB2 CYS 5 -1.191 4.111 9.405 32 2HB CYS 5 HB1 CYS 5 -2.092 4.384 7.918 33 H LEU 6 HN LEU 6 -2.434 8.362 9.531 34 HA LEU 6 HA LEU 6 -4.025 7.135 11.693 35 1HB LEU 6 HB2 LEU 6 -2.498 9.107 12.099 36 2HB LEU 6 HB1 LEU 6 -3.591 10.076 11.131 37 HG LEU 6 HG LEU 6 -4.574 8.568 13.561 38 1HD1 LEU 6 HD11 LEU 6 -2.689 9.951 14.272 39 2HD1 LEU 6 HD12 LEU 6 -4.218 10.583 14.880 40 3HD1 LEU 6 HD13 LEU 6 -3.427 11.360 13.505 41 1HD2 LEU 6 HD21 LEU 6 -6.190 10.528 13.563 42 2HD2 LEU 6 HD22 LEU 6 -6.362 9.380 12.249 43 3HD2 LEU 6 HD23 LEU 6 -5.565 10.927 11.962 44 H ASP 7 HN ASP 7 -4.369 9.530 9.061 45 HA ASP 7 HA ASP 7 -7.017 8.389 8.478 46 1HB ASP 7 HB2 ASP 7 -7.488 10.307 9.920 47 2HB ASP 7 HB1 ASP 7 -6.527 11.352 8.877 48 H LEU 8 HN LEU 8 -6.202 7.491 6.610 49 HA LEU 8 HA LEU 8 -5.678 9.451 4.496 50 1HB LEU 8 HB2 LEU 8 -4.246 6.847 4.860 51 2HB LEU 8 HB1 LEU 8 -4.236 7.756 3.362 52 HG LEU 8 HG LEU 8 -3.346 9.711 4.902 53 1HD1 LEU 8 HD11 LEU 8 -1.807 8.792 6.632 54 2HD1 LEU 8 HD12 LEU 8 -2.604 7.233 6.426 55 3HD1 LEU 8 HD13 LEU 8 -3.511 8.610 7.020 56 1HD2 LEU 8 HD21 LEU 8 -1.620 7.409 4.001 57 2HD2 LEU 8 HD22 LEU 8 -1.080 9.057 4.330 58 3HD2 LEU 8 HD23 LEU 8 -2.181 8.742 2.990 59 H ALA 9 HN ALA 9 -8.084 8.117 5.447 60 HA ALA 9 HA ALA 9 -8.873 5.955 3.890 61 1HB ALA 9 HB1 ALA 9 -10.592 8.184 4.977 62 2HB ALA 9 HB2 ALA 9 -10.083 6.744 5.857 63 3HB ALA 9 HB3 ALA 9 -11.153 6.591 4.464 64 H CYS 10 HN CYS 10 -8.024 6.360 1.809 65 HA CYS 10 HA CYS 10 -8.002 7.031 -0.326 66 1HB CYS 10 HB2 CYS 10 -10.914 7.421 0.326 67 2HB CYS 10 HB1 CYS 10 -10.294 7.930 -1.239 68 H THR 11 HN THR 11 -6.745 8.654 1.256 69 HA THR 11 HA THR 11 -7.517 11.402 0.649 70 HB THR 11 HB THR 11 -5.171 11.895 1.557 71 HG1 THR 11 HG1 THR 11 -4.006 10.232 2.373 72 1HG2 THR 11 HG21 THR 11 -7.117 12.110 2.976 73 2HG2 THR 11 HG22 THR 11 -5.774 11.428 3.885 74 3HG2 THR 11 HG23 THR 11 -7.090 10.385 3.333 75 H GLY 12 HN GLY 12 -5.582 8.809 -0.610 76 1HA GLY 12 HA2 GLY 12 -5.469 9.345 -3.174 77 2HA GLY 12 HA1 GLY 12 -4.278 10.507 -2.599 78 H SER 13 HN SER 13 -4.292 7.766 -4.124 79 HA SER 13 HA SER 13 -2.794 5.955 -2.573 80 1HB SER 13 HB2 SER 13 -2.700 6.314 -5.582 81 2HB SER 13 HB1 SER 13 -2.265 4.865 -4.670 82 HG SER 13 HG SER 13 -4.791 5.926 -5.232 83 H LYS 14 HN LYS 14 -1.815 8.644 -4.671 84 HA LYS 14 HA LYS 14 0.955 8.216 -4.485 85 1HB LYS 14 HB2 LYS 14 -0.604 10.722 -5.010 86 2HB LYS 14 HB1 LYS 14 1.149 10.615 -5.160 87 1HG LYS 14 HG2 LYS 14 0.882 8.898 -6.885 88 2HG LYS 14 HG1 LYS 14 -0.868 9.049 -6.760 89 1HD LYS 14 HD2 LYS 14 -0.789 11.316 -7.522 90 2HD LYS 14 HD1 LYS 14 0.975 11.336 -7.455 91 1HE LYS 14 HE2 LYS 14 0.220 11.090 -9.742 92 2HE LYS 14 HE1 LYS 14 1.056 9.631 -9.215 93 1HZ LYS 14 HZ1 LYS 14 -1.045 8.536 -8.917 94 2HZ LYS 14 HZ2 LYS 14 -0.985 9.184 -10.475 95 3HZ LYS 14 HZ3 LYS 14 -1.900 9.953 -9.280 96 H ASP 15 HN ASP 15 -1.333 9.675 -2.369 97 HA ASP 15 HA ASP 15 0.648 10.881 -0.640 98 1HB ASP 15 HB2 ASP 15 -2.334 10.437 -0.359 99 2HB ASP 15 HB1 ASP 15 -1.351 11.219 0.870 100 H CYS 16 HN CYS 16 -1.002 7.866 -0.993 101 HA CYS 16 HA CYS 16 -0.416 6.912 1.662 102 1HB CYS 16 HB2 CYS 16 -2.459 6.279 0.397 103 2HB CYS 16 HB1 CYS 16 -1.454 5.428 -0.766 104 H TYR 17 HN TYR 17 1.185 6.973 -1.410 105 HA TYR 17 HA TYR 17 2.731 4.695 -1.418 106 1HB TYR 17 HB2 TYR 17 3.438 7.515 -2.240 107 2HB TYR 17 HB1 TYR 17 4.520 6.158 -2.533 108 HD1 TYR 17 HD1 TYR 17 3.558 7.899 -4.697 109 HD2 TYR 17 HD2 TYR 17 1.839 4.354 -3.072 110 HE1 TYR 17 HE1 TYR 17 2.438 7.450 -6.832 111 HE2 TYR 17 HE2 TYR 17 0.721 3.911 -5.187 112 HH TYR 17 HH TYR 17 1.447 4.898 -7.901 113 H ALA 18 HN ALA 18 3.592 7.758 0.183 114 HA ALA 18 HA ALA 18 6.083 6.925 1.097 115 1HB ALA 18 HB1 ALA 18 5.383 8.765 2.996 116 2HB ALA 18 HB2 ALA 18 4.296 9.171 1.669 117 3HB ALA 18 HB3 ALA 18 6.032 9.121 1.400 118 HA PRO 19 HA PRO 19 4.121 5.734 5.435 119 1HB PRO 19 HB2 PRO 19 1.321 5.146 4.569 120 2HB PRO 19 HB1 PRO 19 1.943 5.874 6.054 121 1HG PRO 19 HG2 PRO 19 0.761 7.367 4.210 122 2HG PRO 19 HG1 PRO 19 2.158 7.963 5.129 123 1HD PRO 19 HD2 PRO 19 2.041 6.944 2.343 124 2HD PRO 19 HD1 PRO 19 2.957 8.274 3.008 125 H CYS 20 HN CYS 20 2.584 4.298 2.553 126 HA CYS 20 HA CYS 20 2.607 1.630 3.449 127 1HB CYS 20 HB2 CYS 20 1.293 2.419 1.516 128 2HB CYS 20 HB1 CYS 20 2.775 2.673 0.610 129 H ARG 21 HN ARG 21 4.943 3.446 1.472 130 HA ARG 21 HA ARG 21 6.802 1.360 1.107 131 1HB ARG 21 HB2 ARG 21 6.858 3.436 -0.198 132 2HB ARG 21 HB1 ARG 21 7.251 4.345 1.230 133 1HG ARG 21 HG2 ARG 21 9.379 3.094 1.397 134 2HG ARG 21 HG1 ARG 21 8.967 2.253 -0.098 135 1HD ARG 21 HD2 ARG 21 10.499 4.123 -0.481 136 2HD ARG 21 HD1 ARG 21 8.950 4.354 -1.297 137 HE ARG 21 HE ARG 21 9.073 5.577 1.310 138 1HH1 ARG 21 HH11 ARG 21 9.945 6.050 -2.066 139 2HH1 ARG 21 HH12 ARG 21 9.802 7.765 -1.970 140 1HH2 ARG 21 HH21 ARG 21 8.893 7.841 1.406 141 2HH2 ARG 21 HH22 ARG 21 9.213 8.788 -0.009 142 H LYS 22 HN LYS 22 6.487 3.840 3.613 143 HA LYS 22 HA LYS 22 8.880 3.293 4.971 144 1HB LYS 22 HB2 LYS 22 7.377 5.302 5.231 145 2HB LYS 22 HB1 LYS 22 6.308 4.304 6.209 146 1HG LYS 22 HG2 LYS 22 8.132 3.943 7.809 147 2HG LYS 22 HG1 LYS 22 9.187 4.956 6.818 148 1HD LYS 22 HD2 LYS 22 7.552 6.828 7.126 149 2HD LYS 22 HD1 LYS 22 6.664 5.794 8.249 150 1HE LYS 22 HE2 LYS 22 9.515 6.735 8.544 151 2HE LYS 22 HE1 LYS 22 8.121 7.318 9.451 152 1HZ LYS 22 HZ1 LYS 22 9.279 5.771 10.792 153 2HZ LYS 22 HZ2 LYS 22 9.329 4.613 9.565 154 3HZ LYS 22 HZ3 LYS 22 7.854 5.007 10.298 155 H GLN 23 HN GLN 23 5.675 1.830 5.196 156 HA GLN 23 HA GLN 23 6.340 0.254 7.520 157 1HB GLN 23 HB2 GLN 23 4.055 0.875 7.243 158 2HB GLN 23 HB1 GLN 23 3.998 0.216 5.617 159 1HG GLN 23 HG2 GLN 23 4.276 -2.040 6.523 160 2HG GLN 23 HG1 GLN 23 4.349 -1.381 8.143 161 1HE2 GLN 23 HE21 GLN 23 2.566 -2.649 8.762 162 2HE2 GLN 23 HE22 GLN 23 0.968 -2.236 8.253 163 H THR 24 HN THR 24 5.638 -0.583 4.104 164 HA THR 24 HA THR 24 6.611 -3.287 4.635 165 HB THR 24 HB THR 24 5.609 -3.819 2.447 166 HG1 THR 24 HG1 THR 24 4.465 -2.139 1.343 167 1HG2 THR 24 HG21 THR 24 3.772 -2.267 4.246 168 2HG2 THR 24 HG22 THR 24 4.218 -3.965 4.426 169 3HG2 THR 24 HG23 THR 24 3.279 -3.443 3.028 170 H GLY 25 HN GLY 25 7.410 -0.550 2.541 171 1HA GLY 25 HA2 GLY 25 9.618 -0.229 1.674 172 2HA GLY 25 HA1 GLY 25 9.862 -1.968 1.672 173 H CYS 26 HN CYS 26 6.891 -1.985 0.712 174 HA CYS 26 HA CYS 26 7.488 -1.572 -2.136 175 1HB CYS 26 HB2 CYS 26 5.620 -3.403 -2.342 176 2HB CYS 26 HB1 CYS 26 7.291 -3.838 -2.013 177 HA PRO 27 HA PRO 27 4.246 1.383 -0.994 178 1HB PRO 27 HB2 PRO 27 4.899 3.330 -2.697 179 2HB PRO 27 HB1 PRO 27 5.909 2.909 -1.341 180 1HG PRO 27 HG2 PRO 27 6.218 2.123 -4.194 181 2HG PRO 27 HG1 PRO 27 7.452 2.714 -3.067 182 1HD PRO 27 HD2 PRO 27 7.035 0.057 -3.657 183 2HD PRO 27 HD1 PRO 27 7.775 0.643 -2.154 184 H ASN 28 HN ASN 28 3.949 -0.779 -3.325 185 HA ASN 28 HA ASN 28 2.199 0.646 -5.135 186 1HB ASN 28 HB2 ASN 28 2.969 -2.252 -4.842 187 2HB ASN 28 HB1 ASN 28 1.663 -1.756 -5.916 188 1HD2 ASN 28 HD21 ASN 28 2.140 -0.581 -7.775 189 2HD2 ASN 28 HD22 ASN 28 3.755 -0.451 -8.373 190 H ALA 29 HN ALA 29 0.478 1.465 -4.080 191 HA ALA 29 HA ALA 29 -1.273 -0.443 -2.664 192 1HB ALA 29 HB1 ALA 29 -1.612 1.005 -0.914 193 2HB ALA 29 HB2 ALA 29 -1.077 2.424 -1.820 194 3HB ALA 29 HB3 ALA 29 0.099 1.244 -1.246 195 H LYS 30 HN LYS 30 -3.483 0.026 -2.653 196 HA LYS 30 HA LYS 30 -4.438 2.002 -4.624 197 1HB LYS 30 HB2 LYS 30 -4.250 -0.156 -5.784 198 2HB LYS 30 HB1 LYS 30 -5.214 -0.927 -4.531 199 1HG LYS 30 HG2 LYS 30 -7.120 0.518 -5.168 200 2HG LYS 30 HG1 LYS 30 -6.130 1.197 -6.458 201 1HD LYS 30 HD2 LYS 30 -5.899 -1.042 -7.445 202 2HD LYS 30 HD1 LYS 30 -6.907 -1.707 -6.157 203 1HE LYS 30 HE2 LYS 30 -8.222 -1.383 -8.156 204 2HE LYS 30 HE1 LYS 30 -8.765 -0.272 -6.901 205 1HZ LYS 30 HZ1 LYS 30 -6.885 0.482 -9.079 206 2HZ LYS 30 HZ2 LYS 30 -7.634 1.515 -7.966 207 3HZ LYS 30 HZ3 LYS 30 -8.557 0.728 -9.139 208 H CYS 31 HN CYS 31 -6.271 3.044 -3.922 209 HA CYS 31 HA CYS 31 -7.139 2.382 -1.249 210 1HB CYS 31 HB2 CYS 31 -6.808 4.755 -2.177 211 2HB CYS 31 HB1 CYS 31 -8.391 4.547 -2.921 212 H ILE 32 HN ILE 32 -8.572 0.884 -0.910 213 HA ILE 32 HA ILE 32 -11.032 0.766 -2.516 214 HB ILE 32 HB ILE 32 -10.863 -1.755 -2.478 215 1HG1 ILE 32 HG12 ILE 32 -7.964 -1.173 -1.798 216 2HG1 ILE 32 HG11 ILE 32 -9.134 -1.918 -0.715 217 1HG2 ILE 32 HG21 ILE 32 -8.719 -0.372 -4.079 218 2HG2 ILE 32 HG22 ILE 32 -10.426 -0.434 -4.508 219 3HG2 ILE 32 HG23 ILE 32 -9.479 -1.916 -4.454 220 1HD1 ILE 32 HD11 ILE 32 -7.512 -3.092 -2.775 221 2HD1 ILE 32 HD12 ILE 32 -9.213 -3.505 -2.986 222 3HD1 ILE 32 HD13 ILE 32 -8.410 -3.849 -1.460 223 H ASN 33 HN ASN 33 -12.771 -0.279 -1.376 224 HA ASN 33 HA ASN 33 -14.053 -0.636 0.468 225 1HB ASN 33 HB2 ASN 33 -11.469 -1.618 1.726 226 2HB ASN 33 HB1 ASN 33 -13.098 -1.962 2.288 227 1HD2 ASN 33 HD21 ASN 33 -10.870 -3.713 1.353 228 2HD2 ASN 33 HD22 ASN 33 -11.588 -4.687 0.120 229 H LYS 34 HN LYS 34 -12.865 1.964 0.100 230 HA LYS 34 HA LYS 34 -12.884 3.956 1.132 231 1HB LYS 34 HB2 LYS 34 -13.889 2.283 3.424 232 2HB LYS 34 HB1 LYS 34 -13.437 3.941 3.694 233 1HG LYS 34 HG2 LYS 34 -15.790 3.764 3.341 234 2HG LYS 34 HG1 LYS 34 -15.028 4.677 2.037 235 1HD LYS 34 HD2 LYS 34 -15.113 2.679 0.607 236 2HD LYS 34 HD1 LYS 34 -15.886 1.782 1.918 237 1HE LYS 34 HE2 LYS 34 -17.491 2.591 0.246 238 2HE LYS 34 HE1 LYS 34 -17.787 3.283 1.840 239 1HZ LYS 34 HZ1 LYS 34 -16.198 4.706 -0.226 240 2HZ LYS 34 HZ2 LYS 34 -16.908 5.337 1.177 241 3HZ LYS 34 HZ3 LYS 34 -17.880 4.849 -0.112 242 H SER 35 HN SER 35 -10.606 1.650 1.673 243 HA SER 35 HA SER 35 -8.930 3.507 3.224 244 1HB SER 35 HB2 SER 35 -9.891 1.649 4.634 245 2HB SER 35 HB1 SER 35 -9.004 0.504 3.630 246 HG SER 35 HG SER 35 -7.110 1.296 4.394 247 H CYS 36 HN CYS 36 -6.614 3.025 3.022 248 HA CYS 36 HA CYS 36 -5.980 2.334 0.254 249 1HB CYS 36 HB2 CYS 36 -5.005 4.361 1.195 250 2HB CYS 36 HB1 CYS 36 -4.236 3.416 2.467 251 H LYS 37 HN LYS 37 -5.512 0.263 -0.240 252 HA LYS 37 HA LYS 37 -4.155 -1.338 1.841 253 1HB LYS 37 HB2 LYS 37 -6.416 -2.173 1.226 254 2HB LYS 37 HB1 LYS 37 -5.840 -2.403 -0.420 255 1HG LYS 37 HG2 LYS 37 -4.019 -3.893 0.609 256 2HG LYS 37 HG1 LYS 37 -4.948 -3.791 2.098 257 1HD LYS 37 HD2 LYS 37 -5.495 -5.821 0.933 258 2HD LYS 37 HD1 LYS 37 -6.892 -4.745 0.913 259 1HE LYS 37 HE2 LYS 37 -6.479 -4.170 -1.355 260 2HE LYS 37 HE1 LYS 37 -4.913 -4.917 -1.356 261 1HZ LYS 37 HZ1 LYS 37 -6.526 -6.283 -2.492 262 2HZ LYS 37 HZ2 LYS 37 -7.492 -6.360 -1.107 263 3HZ LYS 37 HZ3 LYS 37 -5.953 -7.067 -1.107 264 H CYS 38 HN CYS 38 -2.157 -1.848 1.428 265 HA CYS 38 HA CYS 38 -0.982 -1.493 -1.194 266 1HB CYS 38 HB2 CYS 38 0.242 -2.642 1.317 267 2HB CYS 38 HB1 CYS 38 1.094 -2.083 -0.120 268 H TYR 39 HN TYR 39 -0.105 -3.193 -2.452 269 HA TYR 39 HA TYR 39 -1.504 -5.729 -2.178 270 1HB TYR 39 HB2 TYR 39 0.644 -4.832 -4.119 271 2HB TYR 39 HB1 TYR 39 -0.178 -6.387 -4.189 272 HD1 TYR 39 HD1 TYR 39 -0.353 -2.888 -5.046 273 HD2 TYR 39 HD2 TYR 39 -2.648 -6.453 -4.643 274 HE1 TYR 39 HE1 TYR 39 -2.117 -1.903 -6.436 275 HE2 TYR 39 HE2 TYR 39 -4.419 -5.475 -6.033 276 HH TYR 39 HH TYR 39 -4.189 -3.270 -8.024 277 H GLY 40 HN GLY 40 1.510 -4.296 -1.316 278 1HA GLY 40 HA2 GLY 40 3.037 -5.045 0.182 279 2HA GLY 40 HA1 GLY 40 2.181 -6.575 0.287 280 H CYS 41 HN CYS 41 4.674 -6.931 0.385 281 HA CYS 41 HA CYS 41 5.410 -7.963 -2.268 282 1HB CYS 41 HB2 CYS 41 7.842 -7.370 -1.532 283 2HB CYS 41 HB1 CYS 41 6.817 -6.118 -2.219 Start of MODEL 8 1 1H TRP 1 HT1 TRP 1 2.667 2.959 13.993 2 2H TRP 1 HT2 TRP 1 2.689 3.822 15.479 3 3H TRP 1 HT3 TRP 1 2.913 2.125 15.470 4 HA TRP 1 HA TRP 1 4.952 3.219 15.828 5 1HB TRP 1 HB2 TRP 1 4.916 1.117 14.530 6 2HB TRP 1 HB1 TRP 1 4.753 2.042 13.041 7 HD1 TRP 1 HD1 TRP 1 6.992 2.015 11.808 8 HE1 TRP 1 HE1 TRP 1 9.473 2.203 12.461 9 HE3 TRP 1 HE3 TRP 1 6.490 2.311 16.891 10 HZ2 TRP 1 HZ2 TRP 1 11.012 2.455 14.806 11 HZ3 TRP 1 HZ3 TRP 1 8.511 2.531 18.262 12 HH2 TRP 1 HH2 TRP 1 10.729 2.602 17.242 13 H CYS 2 HN CYS 2 3.803 3.984 12.541 14 HA CYS 2 HA CYS 2 5.308 6.508 12.588 15 1HB CYS 2 HB2 CYS 2 5.466 5.300 10.529 16 2HB CYS 2 HB1 CYS 2 3.741 5.092 10.465 17 H SER 3 HN SER 3 4.347 8.329 13.201 18 HA SER 3 HA SER 3 1.831 8.310 14.401 19 1HB SER 3 HB2 SER 3 3.729 9.840 14.954 20 2HB SER 3 HB1 SER 3 3.372 10.760 13.494 21 HG SER 3 HG SER 3 1.449 11.389 14.365 22 H THR 4 HN THR 4 2.791 9.365 11.166 23 HA THR 4 HA THR 4 0.097 10.336 10.585 24 HB THR 4 HB THR 4 2.392 10.013 8.618 25 HG1 THR 4 HG1 THR 4 3.159 11.951 9.276 26 1HG2 THR 4 HG21 THR 4 0.190 10.470 7.647 27 2HG2 THR 4 HG22 THR 4 1.266 11.854 7.466 28 3HG2 THR 4 HG23 THR 4 0.009 11.873 8.701 29 H CYS 5 HN CYS 5 1.997 7.494 10.262 30 HA CYS 5 HA CYS 5 0.302 6.337 8.194 31 1HB CYS 5 HB2 CYS 5 2.629 4.908 9.412 32 2HB CYS 5 HB1 CYS 5 1.995 4.841 7.799 33 H LEU 6 HN LEU 6 -1.431 6.458 10.023 34 HA LEU 6 HA LEU 6 -1.335 3.938 11.580 35 1HB LEU 6 HB2 LEU 6 -2.910 6.462 12.079 36 2HB LEU 6 HB1 LEU 6 -3.080 4.981 13.008 37 HG LEU 6 HG LEU 6 -0.567 6.660 12.841 38 1HD1 LEU 6 HD11 LEU 6 -1.071 7.262 15.150 39 2HD1 LEU 6 HD12 LEU 6 -2.574 6.339 15.075 40 3HD1 LEU 6 HD13 LEU 6 -2.366 7.774 14.069 41 1HD2 LEU 6 HD21 LEU 6 -0.033 4.327 13.191 42 2HD2 LEU 6 HD22 LEU 6 -1.240 4.206 14.471 43 3HD2 LEU 6 HD23 LEU 6 0.193 5.208 14.697 44 H ASP 7 HN ASP 7 -3.803 6.103 10.193 45 HA ASP 7 HA ASP 7 -4.995 3.744 8.875 46 1HB ASP 7 HB2 ASP 7 -6.359 4.256 10.843 47 2HB ASP 7 HB1 ASP 7 -6.522 5.927 10.316 48 H LEU 8 HN LEU 8 -4.834 4.081 6.774 49 HA LEU 8 HA LEU 8 -4.880 6.870 5.783 50 1HB LEU 8 HB2 LEU 8 -3.558 4.435 4.598 51 2HB LEU 8 HB1 LEU 8 -3.447 6.068 3.984 52 HG LEU 8 HG LEU 8 -2.382 5.172 6.658 53 1HD1 LEU 8 HD11 LEU 8 -1.200 4.158 4.742 54 2HD1 LEU 8 HD12 LEU 8 -0.210 5.282 5.664 55 3HD1 LEU 8 HD13 LEU 8 -0.884 5.778 4.111 56 1HD2 LEU 8 HD21 LEU 8 -1.242 7.339 6.656 57 2HD2 LEU 8 HD22 LEU 8 -2.990 7.538 6.611 58 3HD2 LEU 8 HD23 LEU 8 -2.039 7.762 5.142 59 H ALA 9 HN ALA 9 -7.204 5.088 6.189 60 HA ALA 9 HA ALA 9 -8.150 3.794 3.987 61 1HB ALA 9 HB1 ALA 9 -10.385 4.189 4.837 62 2HB ALA 9 HB2 ALA 9 -9.778 5.495 5.859 63 3HB ALA 9 HB3 ALA 9 -9.265 3.834 6.151 64 H CYS 10 HN CYS 10 -7.405 4.885 2.128 65 HA CYS 10 HA CYS 10 -7.521 6.209 0.332 66 1HB CYS 10 HB2 CYS 10 -10.363 6.291 1.281 67 2HB CYS 10 HB1 CYS 10 -9.867 7.214 -0.131 68 H THR 11 HN THR 11 -6.149 7.382 2.149 69 HA THR 11 HA THR 11 -7.057 10.149 2.489 70 HB THR 11 HB THR 11 -5.649 9.151 4.270 71 HG1 THR 11 HG1 THR 11 -4.202 11.181 2.861 72 1HG2 THR 11 HG21 THR 11 -3.725 8.685 2.021 73 2HG2 THR 11 HG22 THR 11 -4.283 7.610 3.284 74 3HG2 THR 11 HG23 THR 11 -3.165 8.899 3.670 75 H GLY 12 HN GLY 12 -6.595 8.586 -0.121 76 1HA GLY 12 HA2 GLY 12 -6.114 9.460 -2.234 77 2HA GLY 12 HA1 GLY 12 -4.911 10.523 -1.513 78 H SER 13 HN SER 13 -5.083 7.947 -3.457 79 HA SER 13 HA SER 13 -3.458 6.003 -2.273 80 1HB SER 13 HB2 SER 13 -2.990 5.221 -4.556 81 2HB SER 13 HB1 SER 13 -4.696 5.617 -4.362 82 HG SER 13 HG SER 13 -2.694 7.079 -5.719 83 H LYS 14 HN LYS 14 -2.662 8.992 -3.939 84 HA LYS 14 HA LYS 14 0.123 8.702 -4.134 85 1HB LYS 14 HB2 LYS 14 -1.646 11.102 -3.788 86 2HB LYS 14 HB1 LYS 14 0.079 11.245 -4.039 87 1HG LYS 14 HG2 LYS 14 -1.739 9.774 -5.945 88 2HG LYS 14 HG1 LYS 14 -1.433 11.506 -6.066 89 1HD LYS 14 HD2 LYS 14 0.723 9.384 -6.103 90 2HD LYS 14 HD1 LYS 14 0.011 10.119 -7.539 91 1HE LYS 14 HE2 LYS 14 0.756 12.328 -6.775 92 2HE LYS 14 HE1 LYS 14 1.495 11.589 -5.358 93 1HZ LYS 14 HZ1 LYS 14 2.960 10.342 -6.803 94 2HZ LYS 14 HZ2 LYS 14 3.115 12.006 -7.064 95 3HZ LYS 14 HZ3 LYS 14 2.258 11.057 -8.170 96 H ASP 15 HN ASP 15 -1.960 9.717 -1.507 97 HA ASP 15 HA ASP 15 0.225 10.478 0.216 98 1HB ASP 15 HB2 ASP 15 -2.185 11.431 0.153 99 2HB ASP 15 HB1 ASP 15 -2.634 10.012 1.075 100 H CYS 16 HN CYS 16 -1.491 7.604 -0.550 101 HA CYS 16 HA CYS 16 -0.835 6.240 1.925 102 1HB CYS 16 HB2 CYS 16 -2.166 5.215 -0.596 103 2HB CYS 16 HB1 CYS 16 -2.010 4.328 0.918 104 H TYR 17 HN TYR 17 0.458 6.560 -1.316 105 HA TYR 17 HA TYR 17 1.858 4.177 -1.575 106 1HB TYR 17 HB2 TYR 17 2.579 6.945 -2.556 107 2HB TYR 17 HB1 TYR 17 3.435 5.492 -3.061 108 HD1 TYR 17 HD1 TYR 17 1.911 7.544 -4.800 109 HD2 TYR 17 HD2 TYR 17 0.824 3.753 -3.180 110 HE1 TYR 17 HE1 TYR 17 0.308 7.209 -6.632 111 HE2 TYR 17 HE2 TYR 17 -0.747 3.424 -5.012 112 HH TYR 17 HH TYR 17 -2.123 5.201 -6.615 113 H ALA 18 HN ALA 18 3.144 7.244 -0.343 114 HA ALA 18 HA ALA 18 5.701 6.329 0.201 115 1HB ALA 18 HB1 ALA 18 5.404 8.305 2.071 116 2HB ALA 18 HB2 ALA 18 4.128 8.691 0.917 117 3HB ALA 18 HB3 ALA 18 5.791 8.538 0.370 118 HA PRO 19 HA PRO 19 4.437 5.455 4.845 119 1HB PRO 19 HB2 PRO 19 1.526 5.001 4.506 120 2HB PRO 19 HB1 PRO 19 2.383 5.764 5.821 121 1HG PRO 19 HG2 PRO 19 0.999 7.219 4.104 122 2HG PRO 19 HG1 PRO 19 2.572 7.792 4.694 123 1HD PRO 19 HD2 PRO 19 1.887 6.525 2.088 124 2HD PRO 19 HD1 PRO 19 2.942 7.883 2.428 125 H CYS 20 HN CYS 20 2.524 3.930 2.240 126 HA CYS 20 HA CYS 20 2.513 1.323 3.335 127 1HB CYS 20 HB2 CYS 20 1.076 1.978 1.444 128 2HB CYS 20 HB1 CYS 20 2.494 2.163 0.423 129 H ARG 21 HN ARG 21 4.798 3.016 1.197 130 HA ARG 21 HA ARG 21 6.633 0.857 0.932 131 1HB ARG 21 HB2 ARG 21 6.746 2.675 -0.624 132 2HB ARG 21 HB1 ARG 21 6.977 3.846 0.661 133 1HG ARG 21 HG2 ARG 21 9.156 2.690 1.175 134 2HG ARG 21 HG1 ARG 21 8.895 1.727 -0.278 135 1HD ARG 21 HD2 ARG 21 8.923 4.726 -0.273 136 2HD ARG 21 HD1 ARG 21 10.386 3.767 -0.462 137 HE ARG 21 HE ARG 21 8.887 2.732 -2.402 138 1HH1 ARG 21 HH11 ARG 21 9.410 6.105 -1.532 139 2HH1 ARG 21 HH12 ARG 21 9.283 6.649 -3.158 140 1HH2 ARG 21 HH21 ARG 21 8.744 3.493 -4.544 141 2HH2 ARG 21 HH22 ARG 21 8.895 5.184 -4.868 142 H LYS 22 HN LYS 22 6.380 3.589 3.156 143 HA LYS 22 HA LYS 22 8.773 3.266 4.535 144 1HB LYS 22 HB2 LYS 22 7.179 5.191 4.698 145 2HB LYS 22 HB1 LYS 22 6.127 4.189 5.688 146 1HG LYS 22 HG2 LYS 22 8.032 3.976 7.318 147 2HG LYS 22 HG1 LYS 22 8.902 5.160 6.337 148 1HD LYS 22 HD2 LYS 22 6.990 6.738 6.680 149 2HD LYS 22 HD1 LYS 22 6.276 5.553 7.778 150 1HE LYS 22 HE2 LYS 22 7.409 7.123 9.131 151 2HE LYS 22 HE1 LYS 22 8.425 5.682 9.115 152 1HZ LYS 22 HZ1 LYS 22 8.834 8.081 7.399 153 2HZ LYS 22 HZ2 LYS 22 9.841 6.721 7.478 154 3HZ LYS 22 HZ3 LYS 22 9.688 7.737 8.818 155 H GLN 23 HN GLN 23 5.622 1.733 5.054 156 HA GLN 23 HA GLN 23 6.545 0.348 7.420 157 1HB GLN 23 HB2 GLN 23 3.974 0.812 6.055 158 2HB GLN 23 HB1 GLN 23 4.116 -0.782 6.772 159 1HG GLN 23 HG2 GLN 23 3.075 0.977 8.206 160 2HG GLN 23 HG1 GLN 23 4.410 0.085 8.930 161 1HE2 GLN 23 HE21 GLN 23 6.316 1.161 9.421 162 2HE2 GLN 23 HE22 GLN 23 6.447 2.882 9.347 163 H THR 24 HN THR 24 5.417 -0.762 4.193 164 HA THR 24 HA THR 24 6.289 -3.454 4.888 165 HB THR 24 HB THR 24 5.298 -4.149 2.767 166 HG1 THR 24 HG1 THR 24 4.651 -2.709 1.249 167 1HG2 THR 24 HG21 THR 24 3.536 -2.155 4.193 168 2HG2 THR 24 HG22 THR 24 3.791 -3.835 4.668 169 3HG2 THR 24 HG23 THR 24 2.992 -3.462 3.142 170 H GLY 25 HN GLY 25 7.285 -0.870 2.703 171 1HA GLY 25 HA2 GLY 25 9.698 -0.829 2.139 172 2HA GLY 25 HA1 GLY 25 9.567 -2.551 1.817 173 H CYS 26 HN CYS 26 6.748 -1.943 0.746 174 HA CYS 26 HA CYS 26 7.619 -0.955 -1.880 175 1HB CYS 26 HB2 CYS 26 5.678 -3.158 -1.220 176 2HB CYS 26 HB1 CYS 26 5.864 -2.475 -2.813 177 HA PRO 27 HA PRO 27 4.368 1.999 -1.190 178 1HB PRO 27 HB2 PRO 27 4.594 3.400 -3.441 179 2HB PRO 27 HB1 PRO 27 5.937 3.317 -2.308 180 1HG PRO 27 HG2 PRO 27 5.522 1.780 -4.838 181 2HG PRO 27 HG1 PRO 27 6.981 2.582 -4.248 182 1HD PRO 27 HD2 PRO 27 6.464 -0.116 -3.977 183 2HD PRO 27 HD1 PRO 27 7.575 0.812 -2.949 184 H ASN 28 HN ASN 28 3.743 -0.710 -2.676 185 HA ASN 28 HA ASN 28 1.802 0.038 -4.643 186 1HB ASN 28 HB2 ASN 28 2.439 -2.636 -3.378 187 2HB ASN 28 HB1 ASN 28 1.331 -2.404 -4.727 188 1HD2 ASN 28 HD21 ASN 28 2.147 -1.809 -6.745 189 2HD2 ASN 28 HD22 ASN 28 3.819 -2.022 -7.122 190 H ALA 29 HN ALA 29 0.449 1.406 -3.327 191 HA ALA 29 HA ALA 29 -1.484 -0.154 -1.737 192 1HB ALA 29 HB1 ALA 29 -1.742 1.569 -0.193 193 2HB ALA 29 HB2 ALA 29 -0.900 2.740 -1.210 194 3HB ALA 29 HB3 ALA 29 -0.012 1.453 -0.432 195 H LYS 30 HN LYS 30 -3.615 0.129 -2.222 196 HA LYS 30 HA LYS 30 -4.256 2.173 -4.262 197 1HB LYS 30 HB2 LYS 30 -5.256 -0.665 -4.058 198 2HB LYS 30 HB1 LYS 30 -5.948 0.533 -5.135 199 1HG LYS 30 HG2 LYS 30 -3.088 -0.381 -5.187 200 2HG LYS 30 HG1 LYS 30 -4.352 -1.022 -6.237 201 1HD LYS 30 HD2 LYS 30 -3.459 1.873 -6.121 202 2HD LYS 30 HD1 LYS 30 -2.923 0.694 -7.310 203 1HE LYS 30 HE2 LYS 30 -5.267 0.381 -8.026 204 2HE LYS 30 HE1 LYS 30 -5.752 1.644 -6.895 205 1HZ LYS 30 HZ1 LYS 30 -4.365 3.208 -8.094 206 2HZ LYS 30 HZ2 LYS 30 -5.507 2.502 -9.121 207 3HZ LYS 30 HZ3 LYS 30 -3.895 1.995 -9.180 208 H CYS 31 HN CYS 31 -6.224 3.151 -4.173 209 HA CYS 31 HA CYS 31 -7.573 3.062 -1.561 210 1HB CYS 31 HB2 CYS 31 -7.019 5.272 -2.177 211 2HB CYS 31 HB1 CYS 31 -7.526 5.036 -3.843 212 H ILE 32 HN ILE 32 -8.674 1.112 -1.843 213 HA ILE 32 HA ILE 32 -10.845 1.169 -3.861 214 HB ILE 32 HB ILE 32 -10.843 -1.330 -3.669 215 1HG1 ILE 32 HG12 ILE 32 -8.148 -0.909 -2.342 216 2HG1 ILE 32 HG11 ILE 32 -9.598 -1.422 -1.491 217 1HG2 ILE 32 HG21 ILE 32 -9.823 -0.159 -5.559 218 2HG2 ILE 32 HG22 ILE 32 -8.974 -1.654 -5.183 219 3HG2 ILE 32 HG23 ILE 32 -8.286 -0.104 -4.696 220 1HD1 ILE 32 HD11 ILE 32 -8.012 -2.913 -3.530 221 2HD1 ILE 32 HD12 ILE 32 -9.663 -3.377 -3.110 222 3HD1 ILE 32 HD13 ILE 32 -8.410 -3.367 -1.877 223 H ASN 33 HN ASN 33 -12.876 0.634 -3.213 224 HA ASN 33 HA ASN 33 -14.625 0.940 -1.821 225 1HB ASN 33 HB2 ASN 33 -14.939 -0.846 -0.133 226 2HB ASN 33 HB1 ASN 33 -14.437 -1.455 -1.700 227 1HD2 ASN 33 HD21 ASN 33 -13.440 -0.899 1.615 228 2HD2 ASN 33 HD22 ASN 33 -12.080 -1.962 1.563 229 H LYS 34 HN LYS 34 -12.644 2.813 -1.288 230 HA LYS 34 HA LYS 34 -11.998 4.354 0.170 231 1HB LYS 34 HB2 LYS 34 -14.487 4.364 0.605 232 2HB LYS 34 HB1 LYS 34 -14.129 3.453 2.068 233 1HG LYS 34 HG2 LYS 34 -12.708 5.279 2.865 234 2HG LYS 34 HG1 LYS 34 -13.018 6.171 1.378 235 1HD LYS 34 HD2 LYS 34 -14.451 7.072 3.032 236 2HD LYS 34 HD1 LYS 34 -15.463 6.115 1.951 237 1HE LYS 34 HE2 LYS 34 -15.420 4.268 3.561 238 2HE LYS 34 HE1 LYS 34 -14.397 5.226 4.634 239 1HZ LYS 34 HZ1 LYS 34 -16.708 5.316 5.297 240 2HZ LYS 34 HZ2 LYS 34 -17.158 5.928 3.788 241 3HZ LYS 34 HZ3 LYS 34 -16.179 6.849 4.819 242 H SER 35 HN SER 35 -10.457 2.187 0.201 243 HA SER 35 HA SER 35 -9.393 2.237 2.902 244 1HB SER 35 HB2 SER 35 -10.900 0.281 2.934 245 2HB SER 35 HB1 SER 35 -10.092 -0.375 1.513 246 HG SER 35 HG SER 35 -9.228 -1.343 3.330 247 H CYS 36 HN CYS 36 -7.256 2.601 2.688 248 HA CYS 36 HA CYS 36 -5.957 2.070 0.139 249 1HB CYS 36 HB2 CYS 36 -5.227 3.649 2.540 250 2HB CYS 36 HB1 CYS 36 -3.921 3.015 1.563 251 H LYS 37 HN LYS 37 -5.593 -0.063 -0.084 252 HA LYS 37 HA LYS 37 -4.148 -1.390 2.126 253 1HB LYS 37 HB2 LYS 37 -5.081 -3.490 1.377 254 2HB LYS 37 HB1 LYS 37 -6.327 -2.356 1.782 255 1HG LYS 37 HG2 LYS 37 -7.179 -3.290 -0.113 256 2HG LYS 37 HG1 LYS 37 -6.448 -1.819 -0.737 257 1HD LYS 37 HD2 LYS 37 -6.015 -3.827 -2.122 258 2HD LYS 37 HD1 LYS 37 -4.542 -3.075 -1.561 259 1HE LYS 37 HE2 LYS 37 -4.443 -5.494 -1.382 260 2HE LYS 37 HE1 LYS 37 -4.344 -4.771 0.208 261 1HZ LYS 37 HZ1 LYS 37 -6.640 -5.320 0.592 262 2HZ LYS 37 HZ2 LYS 37 -5.833 -6.709 0.074 263 3HZ LYS 37 HZ3 LYS 37 -6.832 -5.869 -0.999 264 H CYS 38 HN CYS 38 -2.502 -2.845 1.581 265 HA CYS 38 HA CYS 38 -1.098 -2.005 -0.850 266 1HB CYS 38 HB2 CYS 38 -0.072 -3.122 1.752 267 2HB CYS 38 HB1 CYS 38 0.945 -2.727 0.373 268 H TYR 39 HN TYR 39 0.150 -3.514 -2.039 269 HA TYR 39 HA TYR 39 -1.132 -6.125 -2.256 270 1HB TYR 39 HB2 TYR 39 1.017 -4.738 -3.866 271 2HB TYR 39 HB1 TYR 39 0.464 -6.374 -4.211 272 HD1 TYR 39 HD1 TYR 39 -1.526 -6.755 -5.428 273 HD2 TYR 39 HD2 TYR 39 -0.631 -2.830 -4.063 274 HE1 TYR 39 HE1 TYR 39 -3.343 -5.860 -6.811 275 HE2 TYR 39 HE2 TYR 39 -2.420 -1.949 -5.446 276 HH TYR 39 HH TYR 39 -3.675 -3.050 -7.833 277 H GLY 40 HN GLY 40 1.129 -4.998 -0.220 278 1HA GLY 40 HA2 GLY 40 2.426 -6.223 1.214 279 2HA GLY 40 HA1 GLY 40 2.323 -7.612 0.142 280 H CYS 41 HN CYS 41 4.710 -7.260 1.076 281 HA CYS 41 HA CYS 41 6.233 -6.498 -1.265 282 1HB CYS 41 HB2 CYS 41 5.986 -4.384 0.120 283 2HB CYS 41 HB1 CYS 41 6.895 -5.172 1.380 Start of MODEL 9 1 1H TRP 1 HT1 TRP 1 4.322 2.421 8.358 2 2H TRP 1 HT2 TRP 1 5.372 1.157 8.789 3 3H TRP 1 HT3 TRP 1 4.821 2.241 9.985 4 HA TRP 1 HA TRP 1 3.159 0.388 8.446 5 1HB TRP 1 HB2 TRP 1 4.220 0.304 11.252 6 2HB TRP 1 HB1 TRP 1 2.830 -0.659 10.754 7 HD1 TRP 1 HD1 TRP 1 6.584 -0.243 9.857 8 HE1 TRP 1 HE1 TRP 1 7.439 -2.507 8.987 9 HE3 TRP 1 HE3 TRP 1 2.187 -2.858 9.908 10 HZ2 TRP 1 HZ2 TRP 1 6.397 -5.064 8.408 11 HZ3 TRP 1 HZ3 TRP 1 2.206 -5.209 9.182 12 HH2 TRP 1 HH2 TRP 1 4.269 -6.288 8.448 13 H CYS 2 HN CYS 2 1.364 1.476 7.988 14 HA CYS 2 HA CYS 2 0.374 3.436 9.876 15 1HB CYS 2 HB2 CYS 2 0.457 3.890 7.417 16 2HB CYS 2 HB1 CYS 2 -0.772 2.652 7.180 17 H SER 3 HN SER 3 -0.884 2.764 11.493 18 HA SER 3 HA SER 3 -2.377 0.284 11.291 19 1HB SER 3 HB2 SER 3 -1.194 0.894 13.368 20 2HB SER 3 HB1 SER 3 -2.229 2.309 13.543 21 HG SER 3 HG SER 3 -3.950 1.003 13.939 22 H THR 4 HN THR 4 -3.212 3.700 11.992 23 HA THR 4 HA THR 4 -5.627 3.406 10.395 24 HB THR 4 HB THR 4 -5.923 4.322 13.287 25 HG1 THR 4 HG1 THR 4 -6.502 1.747 12.154 26 1HG2 THR 4 HG21 THR 4 -7.818 3.803 11.003 27 2HG2 THR 4 HG22 THR 4 -7.732 5.189 12.093 28 3HG2 THR 4 HG23 THR 4 -8.351 3.651 12.676 29 H CYS 5 HN CYS 5 -3.347 4.852 9.974 30 HA CYS 5 HA CYS 5 -3.992 7.659 10.512 31 1HB CYS 5 HB2 CYS 5 -1.690 7.754 9.031 32 2HB CYS 5 HB1 CYS 5 -1.767 7.658 10.780 33 H LEU 6 HN LEU 6 -5.956 6.982 9.134 34 HA LEU 6 HA LEU 6 -5.448 6.772 6.294 35 1HB LEU 6 HB2 LEU 6 -8.048 6.913 7.826 36 2HB LEU 6 HB1 LEU 6 -7.878 6.495 6.127 37 HG LEU 6 HG LEU 6 -6.807 4.886 8.452 38 1HD1 LEU 6 HD11 LEU 6 -9.118 4.351 6.584 39 2HD1 LEU 6 HD12 LEU 6 -9.244 4.813 8.283 40 3HD1 LEU 6 HD13 LEU 6 -8.524 3.266 7.843 41 1HD2 LEU 6 HD21 LEU 6 -5.371 4.617 6.550 42 2HD2 LEU 6 HD22 LEU 6 -6.750 4.390 5.481 43 3HD2 LEU 6 HD23 LEU 6 -6.370 3.175 6.699 44 H ASP 7 HN ASP 7 -4.414 9.134 6.799 45 HA ASP 7 HA ASP 7 -6.410 11.233 6.406 46 1HB ASP 7 HB2 ASP 7 -3.393 11.289 6.588 47 2HB ASP 7 HB1 ASP 7 -4.353 12.713 6.195 48 H LEU 8 HN LEU 8 -4.706 8.997 4.596 49 HA LEU 8 HA LEU 8 -4.737 10.613 2.153 50 1HB LEU 8 HB2 LEU 8 -3.601 7.862 2.717 51 2HB LEU 8 HB1 LEU 8 -3.527 8.681 1.172 52 HG LEU 8 HG LEU 8 -1.397 8.925 2.132 53 1HD1 LEU 8 HD11 LEU 8 -1.104 11.269 2.251 54 2HD1 LEU 8 HD12 LEU 8 -2.777 11.526 2.747 55 3HD1 LEU 8 HD13 LEU 8 -2.417 10.970 1.117 56 1HD2 LEU 8 HD21 LEU 8 -2.159 8.392 4.482 57 2HD2 LEU 8 HD22 LEU 8 -2.564 10.101 4.648 58 3HD2 LEU 8 HD23 LEU 8 -0.905 9.617 4.324 59 H ALA 9 HN ALA 9 -7.111 9.590 3.587 60 HA ALA 9 HA ALA 9 -8.190 7.292 2.686 61 1HB ALA 9 HB1 ALA 9 -9.694 9.836 3.285 62 2HB ALA 9 HB2 ALA 9 -9.116 8.671 4.475 63 3HB ALA 9 HB3 ALA 9 -10.354 8.198 3.313 64 H CYS 10 HN CYS 10 -7.547 7.102 0.505 65 HA CYS 10 HA CYS 10 -7.818 7.081 -1.736 66 1HB CYS 10 HB2 CYS 10 -10.655 7.754 -0.938 67 2HB CYS 10 HB1 CYS 10 -10.171 7.271 -2.561 68 H THR 11 HN THR 11 -6.789 9.444 -0.605 69 HA THR 11 HA THR 11 -7.989 11.645 -2.093 70 HB THR 11 HB THR 11 -6.029 12.954 -1.168 71 HG1 THR 11 HG1 THR 11 -4.600 11.958 0.157 72 1HG2 THR 11 HG21 THR 11 -6.819 12.961 1.139 73 2HG2 THR 11 HG22 THR 11 -7.680 11.447 0.863 74 3HG2 THR 11 HG23 THR 11 -8.171 12.911 0.007 75 H GLY 12 HN GLY 12 -5.531 9.258 -2.440 76 1HA GLY 12 HA2 GLY 12 -5.255 9.527 -5.151 77 2HA GLY 12 HA1 GLY 12 -3.998 10.557 -4.470 78 H SER 13 HN SER 13 -4.258 7.726 -5.838 79 HA SER 13 HA SER 13 -3.173 5.849 -4.046 80 1HB SER 13 HB2 SER 13 -2.758 6.027 -7.046 81 2HB SER 13 HB1 SER 13 -2.514 4.596 -6.042 82 HG SER 13 HG SER 13 -4.910 5.852 -6.800 83 H LYS 14 HN LYS 14 -1.668 8.300 -6.102 84 HA LYS 14 HA LYS 14 1.005 7.565 -5.755 85 1HB LYS 14 HB2 LYS 14 1.585 9.685 -6.574 86 2HB LYS 14 HB1 LYS 14 0.081 9.257 -7.382 87 1HG LYS 14 HG2 LYS 14 -1.172 10.655 -5.845 88 2HG LYS 14 HG1 LYS 14 0.305 11.053 -4.968 89 1HD LYS 14 HD2 LYS 14 1.201 11.999 -7.125 90 2HD LYS 14 HD1 LYS 14 -0.433 11.818 -7.775 91 1HE LYS 14 HE2 LYS 14 0.429 13.485 -5.420 92 2HE LYS 14 HE1 LYS 14 -0.167 14.061 -6.976 93 1HZ LYS 14 HZ1 LYS 14 -1.710 12.619 -4.897 94 2HZ LYS 14 HZ2 LYS 14 -2.302 12.924 -6.447 95 3HZ LYS 14 HZ3 LYS 14 -1.923 14.206 -5.416 96 H ASP 15 HN ASP 15 -1.224 9.207 -3.673 97 HA ASP 15 HA ASP 15 0.810 10.154 -1.855 98 1HB ASP 15 HB2 ASP 15 -2.216 10.142 -1.668 99 2HB ASP 15 HB1 ASP 15 -1.142 10.857 -0.478 100 H CYS 16 HN CYS 16 -1.514 7.512 -2.097 101 HA CYS 16 HA CYS 16 -1.149 6.421 0.489 102 1HB CYS 16 HB2 CYS 16 -1.877 5.090 -2.123 103 2HB CYS 16 HB1 CYS 16 -1.978 4.318 -0.569 104 H TYR 17 HN TYR 17 0.716 6.270 -2.464 105 HA TYR 17 HA TYR 17 2.285 4.039 -1.985 106 1HB TYR 17 HB2 TYR 17 2.978 6.621 -3.366 107 2HB TYR 17 HB1 TYR 17 4.001 5.214 -3.430 108 HD1 TYR 17 HD1 TYR 17 1.225 3.445 -3.558 109 HD2 TYR 17 HD2 TYR 17 3.015 6.541 -5.871 110 HE1 TYR 17 HE1 TYR 17 0.033 2.656 -5.523 111 HE2 TYR 17 HE2 TYR 17 1.793 5.749 -7.848 112 HH TYR 17 HH TYR 17 -0.685 4.178 -7.974 113 H ALA 18 HN ALA 18 2.558 7.252 -0.615 114 HA ALA 18 HA ALA 18 5.198 6.947 0.340 115 1HB ALA 18 HB1 ALA 18 4.801 9.124 0.431 116 2HB ALA 18 HB2 ALA 18 4.139 8.815 2.032 117 3HB ALA 18 HB3 ALA 18 3.066 8.930 0.637 118 HA PRO 19 HA PRO 19 3.288 5.737 4.682 119 1HB PRO 19 HB2 PRO 19 0.574 4.824 3.843 120 2HB PRO 19 HB1 PRO 19 1.085 5.693 5.296 121 1HG PRO 19 HG2 PRO 19 -0.223 6.936 3.340 122 2HG PRO 19 HG1 PRO 19 1.082 7.744 4.230 123 1HD PRO 19 HD2 PRO 19 1.124 6.537 1.521 124 2HD PRO 19 HD1 PRO 19 1.866 8.009 2.097 125 H CYS 20 HN CYS 20 2.114 4.095 1.753 126 HA CYS 20 HA CYS 20 2.251 1.460 2.725 127 1HB CYS 20 HB2 CYS 20 1.127 2.100 0.622 128 2HB CYS 20 HB1 CYS 20 2.693 2.430 -0.111 129 H ARG 21 HN ARG 21 4.652 3.446 1.014 130 HA ARG 21 HA ARG 21 6.724 1.518 0.972 131 1HB ARG 21 HB2 ARG 21 6.664 3.558 -0.418 132 2HB ARG 21 HB1 ARG 21 6.902 4.543 1.005 133 1HG ARG 21 HG2 ARG 21 8.886 2.441 0.184 134 2HG ARG 21 HG1 ARG 21 8.910 4.041 -0.524 135 1HD ARG 21 HD2 ARG 21 9.282 3.355 2.390 136 2HD ARG 21 HD1 ARG 21 10.483 3.942 1.273 137 HE ARG 21 HE ARG 21 8.452 5.831 1.298 138 1HH1 ARG 21 HH11 ARG 21 10.838 4.524 3.519 139 2HH1 ARG 21 HH12 ARG 21 10.914 5.975 4.449 140 1HH2 ARG 21 HH21 ARG 21 8.544 7.707 2.547 141 2HH2 ARG 21 HH22 ARG 21 9.617 7.783 3.905 142 H LYS 22 HN LYS 22 5.848 4.069 3.277 143 HA LYS 22 HA LYS 22 8.023 3.668 5.026 144 1HB LYS 22 HB2 LYS 22 6.542 5.688 4.975 145 2HB LYS 22 HB1 LYS 22 5.265 4.729 5.705 146 1HG LYS 22 HG2 LYS 22 6.362 6.079 7.375 147 2HG LYS 22 HG1 LYS 22 6.671 4.370 7.684 148 1HD LYS 22 HD2 LYS 22 8.882 4.616 6.573 149 2HD LYS 22 HD1 LYS 22 8.550 6.336 6.368 150 1HE LYS 22 HE2 LYS 22 8.437 6.599 8.785 151 2HE LYS 22 HE1 LYS 22 8.703 4.868 9.000 152 1HZ LYS 22 HZ1 LYS 22 10.620 6.774 7.764 153 2HZ LYS 22 HZ2 LYS 22 10.876 5.112 7.968 154 3HZ LYS 22 HZ3 LYS 22 10.732 6.118 9.319 155 H GLN 23 HN GLN 23 5.121 1.868 4.511 156 HA GLN 23 HA GLN 23 5.307 0.496 7.055 157 1HB GLN 23 HB2 GLN 23 3.107 1.033 6.246 158 2HB GLN 23 HB1 GLN 23 3.409 0.156 4.752 159 1HG GLN 23 HG2 GLN 23 3.384 -1.923 5.813 160 2HG GLN 23 HG1 GLN 23 3.544 -1.222 7.411 161 1HE2 GLN 23 HE21 GLN 23 1.524 -3.072 6.347 162 2HE2 GLN 23 HE22 GLN 23 0.011 -2.278 6.595 163 H THR 24 HN THR 24 5.120 -0.688 3.685 164 HA THR 24 HA THR 24 6.511 -3.093 4.632 165 HB THR 24 HB THR 24 4.261 -3.286 3.544 166 HG1 THR 24 HG1 THR 24 5.479 -5.128 3.486 167 1HG2 THR 24 HG21 THR 24 5.469 -2.969 0.867 168 2HG2 THR 24 HG22 THR 24 5.080 -1.485 1.725 169 3HG2 THR 24 HG23 THR 24 3.824 -2.676 1.414 170 H GLY 25 HN GLY 25 7.405 -0.287 3.050 171 1HA GLY 25 HA2 GLY 25 9.610 0.068 2.338 172 2HA GLY 25 HA1 GLY 25 9.775 -1.632 1.936 173 H CYS 26 HN CYS 26 7.329 -1.852 0.466 174 HA CYS 26 HA CYS 26 8.122 -0.503 -1.988 175 1HB CYS 26 HB2 CYS 26 6.234 -2.781 -1.443 176 2HB CYS 26 HB1 CYS 26 6.473 -2.086 -3.041 177 HA PRO 27 HA PRO 27 4.825 2.352 -1.330 178 1HB PRO 27 HB2 PRO 27 4.874 3.641 -3.681 179 2HB PRO 27 HB1 PRO 27 6.218 3.734 -2.548 180 1HG PRO 27 HG2 PRO 27 5.920 2.103 -5.030 181 2HG PRO 27 HG1 PRO 27 7.337 2.981 -4.428 182 1HD PRO 27 HD2 PRO 27 6.924 0.262 -4.134 183 2HD PRO 27 HD1 PRO 27 7.990 1.247 -3.113 184 H ASN 28 HN ASN 28 4.559 -0.036 -3.851 185 HA ASN 28 HA ASN 28 2.267 0.786 -5.142 186 1HB ASN 28 HB2 ASN 28 3.392 -1.966 -4.657 187 2HB ASN 28 HB1 ASN 28 1.973 -1.706 -5.660 188 1HD2 ASN 28 HD21 ASN 28 4.647 -2.721 -6.344 189 2HD2 ASN 28 HD22 ASN 28 5.190 -1.691 -7.620 190 H ALA 29 HN ALA 29 0.448 1.379 -4.147 191 HA ALA 29 HA ALA 29 -1.041 -0.586 -2.611 192 1HB ALA 29 HB1 ALA 29 -0.709 0.416 -0.655 193 2HB ALA 29 HB2 ALA 29 -1.482 1.866 -1.271 194 3HB ALA 29 HB3 ALA 29 0.262 1.670 -1.408 195 H LYS 30 HN LYS 30 -3.276 -0.151 -2.460 196 HA LYS 30 HA LYS 30 -4.317 1.938 -4.280 197 1HB LYS 30 HB2 LYS 30 -4.457 -0.155 -5.462 198 2HB LYS 30 HB1 LYS 30 -5.197 -0.955 -4.094 199 1HG LYS 30 HG2 LYS 30 -7.116 0.672 -4.361 200 2HG LYS 30 HG1 LYS 30 -6.364 1.185 -5.866 201 1HD LYS 30 HD2 LYS 30 -7.180 -1.653 -5.220 202 2HD LYS 30 HD1 LYS 30 -8.176 -0.506 -6.113 203 1HE LYS 30 HE2 LYS 30 -5.462 -1.498 -6.939 204 2HE LYS 30 HE1 LYS 30 -6.993 -2.008 -7.612 205 1HZ LYS 30 HZ1 LYS 30 -5.741 0.663 -7.833 206 2HZ LYS 30 HZ2 LYS 30 -7.361 0.379 -8.238 207 3HZ LYS 30 HZ3 LYS 30 -6.125 -0.414 -9.075 208 H CYS 31 HN CYS 31 -6.077 3.028 -3.479 209 HA CYS 31 HA CYS 31 -6.746 2.511 -0.712 210 1HB CYS 31 HB2 CYS 31 -6.415 4.813 -1.523 211 2HB CYS 31 HB1 CYS 31 -7.843 4.645 -2.535 212 H ILE 32 HN ILE 32 -8.216 1.082 -0.196 213 HA ILE 32 HA ILE 32 -10.759 1.067 -1.663 214 HB ILE 32 HB ILE 32 -10.803 -1.494 -1.082 215 1HG1 ILE 32 HG12 ILE 32 -8.492 -2.502 -1.495 216 2HG1 ILE 32 HG11 ILE 32 -7.817 -0.927 -1.130 217 1HG2 ILE 32 HG21 ILE 32 -10.956 -0.569 -3.317 218 2HG2 ILE 32 HG22 ILE 32 -9.965 -2.027 -3.297 219 3HG2 ILE 32 HG23 ILE 32 -9.198 -0.441 -3.401 220 1HD1 ILE 32 HD11 ILE 32 -8.044 -2.817 0.671 221 2HD1 ILE 32 HD12 ILE 32 -9.671 -2.162 0.849 222 3HD1 ILE 32 HD13 ILE 32 -8.265 -1.123 1.094 223 H ASN 33 HN ASN 33 -12.550 0.807 -0.381 224 HA ASN 33 HA ASN 33 -13.782 1.125 1.486 225 1HB ASN 33 HB2 ASN 33 -12.817 -1.236 1.862 226 2HB ASN 33 HB1 ASN 33 -11.703 -0.487 2.998 227 1HD2 ASN 33 HD21 ASN 33 -12.532 0.358 4.949 228 2HD2 ASN 33 HD22 ASN 33 -14.105 -0.079 5.512 229 H LYS 34 HN LYS 34 -11.939 3.136 0.820 230 HA LYS 34 HA LYS 34 -11.071 5.057 1.598 231 1HB LYS 34 HB2 LYS 34 -12.438 4.268 4.168 232 2HB LYS 34 HB1 LYS 34 -11.771 5.855 3.826 233 1HG LYS 34 HG2 LYS 34 -13.346 6.231 2.075 234 2HG LYS 34 HG1 LYS 34 -13.953 4.576 2.196 235 1HD LYS 34 HD2 LYS 34 -14.733 5.032 4.475 236 2HD LYS 34 HD1 LYS 34 -14.131 6.688 4.350 237 1HE LYS 34 HE2 LYS 34 -15.691 7.180 2.594 238 2HE LYS 34 HE1 LYS 34 -16.209 5.496 2.512 239 1HZ LYS 34 HZ1 LYS 34 -17.788 6.844 3.723 240 2HZ LYS 34 HZ2 LYS 34 -16.599 7.316 4.829 241 3HZ LYS 34 HZ3 LYS 34 -17.091 5.697 4.754 242 H SER 35 HN SER 35 -9.540 2.481 1.920 243 HA SER 35 HA SER 35 -7.507 3.584 3.710 244 1HB SER 35 HB2 SER 35 -7.078 1.306 4.642 245 2HB SER 35 HB1 SER 35 -8.641 1.975 5.101 246 HG SER 35 HG SER 35 -8.939 -0.142 4.461 247 H CYS 36 HN CYS 36 -5.525 3.519 2.868 248 HA CYS 36 HA CYS 36 -5.144 2.458 0.211 249 1HB CYS 36 HB2 CYS 36 -3.066 3.621 2.061 250 2HB CYS 36 HB1 CYS 36 -2.985 3.425 0.328 251 H LYS 37 HN LYS 37 -5.241 0.233 0.246 252 HA LYS 37 HA LYS 37 -3.507 -1.224 2.114 253 1HB LYS 37 HB2 LYS 37 -5.835 -1.979 1.773 254 2HB LYS 37 HB1 LYS 37 -5.478 -2.267 0.077 255 1HG LYS 37 HG2 LYS 37 -3.703 -3.903 0.842 256 2HG LYS 37 HG1 LYS 37 -4.317 -3.672 2.476 257 1HD LYS 37 HD2 LYS 37 -5.316 -5.643 1.611 258 2HD LYS 37 HD1 LYS 37 -6.569 -4.403 1.648 259 1HE LYS 37 HE2 LYS 37 -6.260 -4.009 -0.742 260 2HE LYS 37 HE1 LYS 37 -4.959 -5.199 -0.785 261 1HZ LYS 37 HZ1 LYS 37 -7.800 -5.754 -0.115 262 2HZ LYS 37 HZ2 LYS 37 -6.555 -6.901 -0.156 263 3HZ LYS 37 HZ3 LYS 37 -7.033 -6.121 -1.577 264 H CYS 38 HN CYS 38 -1.656 -2.161 1.511 265 HA CYS 38 HA CYS 38 -0.563 -1.590 -1.089 266 1HB CYS 38 HB2 CYS 38 0.566 -3.212 1.185 267 2HB CYS 38 HB1 CYS 38 1.463 -2.637 -0.217 268 H TYR 39 HN TYR 39 0.083 -3.071 -2.666 269 HA TYR 39 HA TYR 39 -1.510 -5.501 -2.841 270 1HB TYR 39 HB2 TYR 39 0.753 -4.606 -4.657 271 2HB TYR 39 HB1 TYR 39 -0.470 -5.819 -5.004 272 HD1 TYR 39 HD1 TYR 39 0.302 -2.281 -4.941 273 HD2 TYR 39 HD2 TYR 39 -2.791 -5.124 -5.545 274 HE1 TYR 39 HE1 TYR 39 -1.027 -0.559 -6.072 275 HE2 TYR 39 HE2 TYR 39 -4.144 -3.408 -6.675 276 HH TYR 39 HH TYR 39 -3.200 -0.927 -8.024 277 H GLY 40 HN GLY 40 1.490 -4.516 -1.603 278 1HA GLY 40 HA2 GLY 40 2.562 -6.285 -0.193 279 2HA GLY 40 HA1 GLY 40 2.613 -7.242 -1.670 280 H CYS 41 HN CYS 41 5.003 -7.007 -0.822 281 HA CYS 41 HA CYS 41 6.124 -4.607 -2.034 282 1HB CYS 41 HB2 CYS 41 6.664 -5.251 0.399 283 2HB CYS 41 HB1 CYS 41 7.655 -6.527 -0.286 Start of MODEL 10 1 1H TRP 1 HT1 TRP 1 4.277 -1.008 10.836 2 2H TRP 1 HT2 TRP 1 3.103 -0.768 12.068 3 3H TRP 1 HT3 TRP 1 3.769 0.575 11.229 4 HA TRP 1 HA TRP 1 2.829 -0.219 9.209 5 1HB TRP 1 HB2 TRP 1 1.546 -2.273 11.009 6 2HB TRP 1 HB1 TRP 1 1.042 -1.974 9.348 7 HD1 TRP 1 HD1 TRP 1 2.810 -2.677 7.403 8 HE1 TRP 1 HE1 TRP 1 4.625 -4.493 7.370 9 HE3 TRP 1 HE3 TRP 1 3.216 -3.493 12.428 10 HZ2 TRP 1 HZ2 TRP 1 6.040 -6.073 9.232 11 HZ3 TRP 1 HZ3 TRP 1 4.819 -5.180 13.219 12 HH2 TRP 1 HH2 TRP 1 6.202 -6.442 11.652 13 H CYS 2 HN CYS 2 1.063 0.988 8.616 14 HA CYS 2 HA CYS 2 -0.364 2.368 10.683 15 1HB CYS 2 HB2 CYS 2 0.589 3.613 8.740 16 2HB CYS 2 HB1 CYS 2 -0.509 2.744 7.674 17 H SER 3 HN SER 3 -1.635 0.626 11.448 18 HA SER 3 HA SER 3 -3.244 -0.957 9.705 19 1HB SER 3 HB2 SER 3 -3.639 -0.600 12.689 20 2HB SER 3 HB1 SER 3 -4.070 -1.981 11.684 21 HG SER 3 HG SER 3 -2.156 -2.385 12.803 22 H THR 4 HN THR 4 -4.397 1.189 12.335 23 HA THR 4 HA THR 4 -6.808 1.687 10.709 24 HB THR 4 HB THR 4 -7.785 2.293 13.026 25 HG1 THR 4 HG1 THR 4 -6.630 1.664 14.778 26 1HG2 THR 4 HG21 THR 4 -6.926 -0.550 12.493 27 2HG2 THR 4 HG22 THR 4 -8.355 0.243 11.826 28 3HG2 THR 4 HG23 THR 4 -8.229 -0.034 13.563 29 H CYS 5 HN CYS 5 -4.354 3.193 10.406 30 HA CYS 5 HA CYS 5 -5.368 5.854 11.195 31 1HB CYS 5 HB2 CYS 5 -2.890 6.529 10.811 32 2HB CYS 5 HB1 CYS 5 -3.340 5.726 12.308 33 H LEU 6 HN LEU 6 -5.445 3.797 8.762 34 HA LEU 6 HA LEU 6 -4.564 5.523 6.609 35 1HB LEU 6 HB2 LEU 6 -6.012 2.875 6.645 36 2HB LEU 6 HB1 LEU 6 -5.534 3.709 5.175 37 HG LEU 6 HG LEU 6 -3.626 2.688 7.281 38 1HD1 LEU 6 HD11 LEU 6 -4.283 1.593 4.545 39 2HD1 LEU 6 HD12 LEU 6 -4.744 0.868 6.087 40 3HD1 LEU 6 HD13 LEU 6 -3.043 0.976 5.640 41 1HD2 LEU 6 HD21 LEU 6 -2.726 4.613 6.123 42 2HD2 LEU 6 HD22 LEU 6 -3.142 3.906 4.562 43 3HD2 LEU 6 HD23 LEU 6 -1.905 3.157 5.573 44 H ASP 7 HN ASP 7 -6.033 7.244 7.520 45 HA ASP 7 HA ASP 7 -8.852 6.877 6.764 46 1HB ASP 7 HB2 ASP 7 -7.377 8.958 8.362 47 2HB ASP 7 HB1 ASP 7 -9.002 9.263 7.756 48 H LEU 8 HN LEU 8 -6.266 7.381 5.052 49 HA LEU 8 HA LEU 8 -7.026 9.745 3.600 50 1HB LEU 8 HB2 LEU 8 -4.851 7.694 3.173 51 2HB LEU 8 HB1 LEU 8 -5.129 9.050 2.096 52 HG LEU 8 HG LEU 8 -4.724 10.571 4.095 53 1HD1 LEU 8 HD11 LEU 8 -3.789 7.963 5.282 54 2HD1 LEU 8 HD12 LEU 8 -4.968 9.099 5.937 55 3HD1 LEU 8 HD13 LEU 8 -3.271 9.543 5.872 56 1HD2 LEU 8 HD21 LEU 8 -2.457 8.821 3.145 57 2HD2 LEU 8 HD22 LEU 8 -2.305 10.428 3.860 58 3HD2 LEU 8 HD23 LEU 8 -3.101 10.231 2.301 59 H ALA 9 HN ALA 9 -9.187 8.323 3.493 60 HA ALA 9 HA ALA 9 -9.446 6.157 1.809 61 1HB ALA 9 HB1 ALA 9 -11.470 8.296 2.427 62 2HB ALA 9 HB2 ALA 9 -11.166 6.839 3.371 63 3HB ALA 9 HB3 ALA 9 -11.837 6.710 1.745 64 H CYS 10 HN CYS 10 -8.081 6.616 0.022 65 HA CYS 10 HA CYS 10 -7.603 7.217 -2.075 66 1HB CYS 10 HB2 CYS 10 -10.594 7.675 -2.213 67 2HB CYS 10 HB1 CYS 10 -9.535 7.832 -3.605 68 H THR 11 HN THR 11 -6.999 8.987 -0.156 69 HA THR 11 HA THR 11 -7.778 11.650 -1.016 70 HB THR 11 HB THR 11 -5.472 10.841 0.804 71 HG1 THR 11 HG1 THR 11 -7.046 11.412 2.483 72 1HG2 THR 11 HG21 THR 11 -5.252 13.106 0.011 73 2HG2 THR 11 HG22 THR 11 -5.784 13.134 1.690 74 3HG2 THR 11 HG23 THR 11 -6.940 13.450 0.397 75 H GLY 12 HN GLY 12 -5.354 9.254 -1.627 76 1HA GLY 12 HA2 GLY 12 -4.608 10.223 -4.080 77 2HA GLY 12 HA1 GLY 12 -3.455 10.904 -2.952 78 H SER 13 HN SER 13 -3.806 8.463 -5.024 79 HA SER 13 HA SER 13 -2.931 6.172 -3.643 80 1HB SER 13 HB2 SER 13 -2.176 6.948 -6.480 81 2HB SER 13 HB1 SER 13 -2.287 5.322 -5.799 82 HG SER 13 HG SER 13 -4.313 7.045 -6.637 83 H LYS 14 HN LYS 14 -1.158 8.781 -5.248 84 HA LYS 14 HA LYS 14 1.436 7.892 -4.600 85 1HB LYS 14 HB2 LYS 14 2.148 10.191 -5.154 86 2HB LYS 14 HB1 LYS 14 1.113 9.465 -6.376 87 1HG LYS 14 HG2 LYS 14 -0.818 10.725 -5.327 88 2HG LYS 14 HG1 LYS 14 0.384 11.568 -4.351 89 1HD LYS 14 HD2 LYS 14 1.471 12.385 -6.379 90 2HD LYS 14 HD1 LYS 14 0.304 11.507 -7.372 91 1HE LYS 14 HE2 LYS 14 -1.509 12.861 -6.321 92 2HE LYS 14 HE1 LYS 14 -0.262 13.798 -5.495 93 1HZ LYS 14 HZ1 LYS 14 -0.576 13.550 -8.439 94 2HZ LYS 14 HZ2 LYS 14 0.617 14.455 -7.648 95 3HZ LYS 14 HZ3 LYS 14 -1.010 14.891 -7.505 96 H ASP 15 HN ASP 15 -0.967 9.535 -2.750 97 HA ASP 15 HA ASP 15 0.811 10.532 -0.736 98 1HB ASP 15 HB2 ASP 15 -2.189 10.170 -0.816 99 2HB ASP 15 HB1 ASP 15 -1.349 10.777 0.597 100 H CYS 16 HN CYS 16 -1.080 7.607 -1.261 101 HA CYS 16 HA CYS 16 -0.483 6.575 1.389 102 1HB CYS 16 HB2 CYS 16 -1.913 5.357 -0.981 103 2HB CYS 16 HB1 CYS 16 -1.724 4.588 0.590 104 H TYR 17 HN TYR 17 1.007 6.512 -1.717 105 HA TYR 17 HA TYR 17 2.337 4.048 -1.663 106 1HB TYR 17 HB2 TYR 17 3.142 6.740 -2.772 107 2HB TYR 17 HB1 TYR 17 4.135 5.305 -2.995 108 HD1 TYR 17 HD1 TYR 17 3.292 6.725 -5.336 109 HD2 TYR 17 HD2 TYR 17 1.155 3.765 -3.133 110 HE1 TYR 17 HE1 TYR 17 2.015 6.136 -7.346 111 HE2 TYR 17 HE2 TYR 17 -0.102 3.192 -5.127 112 HH TYR 17 HH TYR 17 0.618 3.592 -7.963 113 H ALA 18 HN ALA 18 3.247 7.131 -0.170 114 HA ALA 18 HA ALA 18 5.769 6.275 0.753 115 1HB ALA 18 HB1 ALA 18 5.232 8.227 2.510 116 2HB ALA 18 HB2 ALA 18 4.001 8.583 1.298 117 3HB ALA 18 HB3 ALA 18 5.695 8.518 0.837 118 HA PRO 19 HA PRO 19 3.469 5.335 5.064 119 1HB PRO 19 HB2 PRO 19 0.851 4.617 3.783 120 2HB PRO 19 HB1 PRO 19 1.187 5.275 5.391 121 1HG PRO 19 HG2 PRO 19 0.262 6.841 3.469 122 2HG PRO 19 HG1 PRO 19 1.513 7.425 4.583 123 1HD PRO 19 HD2 PRO 19 1.782 6.571 1.759 124 2HD PRO 19 HD1 PRO 19 2.615 7.825 2.636 125 H CYS 20 HN CYS 20 2.400 3.679 2.066 126 HA CYS 20 HA CYS 20 2.560 1.083 3.202 127 1HB CYS 20 HB2 CYS 20 2.419 2.114 0.387 128 2HB CYS 20 HB1 CYS 20 2.709 0.400 0.683 129 H ARG 21 HN ARG 21 4.926 3.042 1.441 130 HA ARG 21 HA ARG 21 6.965 1.081 1.303 131 1HB ARG 21 HB2 ARG 21 7.254 3.113 0.062 132 2HB ARG 21 HB1 ARG 21 7.080 4.090 1.511 133 1HG ARG 21 HG2 ARG 21 9.203 3.077 2.370 134 2HG ARG 21 HG1 ARG 21 9.368 2.274 0.819 135 1HD ARG 21 HD2 ARG 21 9.117 5.232 1.154 136 2HD ARG 21 HD1 ARG 21 10.659 4.390 1.102 137 HE ARG 21 HE ARG 21 9.635 3.539 -1.179 138 1HH1 ARG 21 HH11 ARG 21 9.547 6.794 0.172 139 2HH1 ARG 21 HH12 ARG 21 9.628 7.545 -1.371 140 1HH2 ARG 21 HH21 ARG 21 9.763 4.583 -3.207 141 2HH2 ARG 21 HH22 ARG 21 9.753 6.314 -3.282 142 H LYS 22 HN LYS 22 6.129 3.526 3.723 143 HA LYS 22 HA LYS 22 8.167 2.942 5.573 144 1HB LYS 22 HB2 LYS 22 6.630 4.953 5.431 145 2HB LYS 22 HB1 LYS 22 5.410 3.996 6.259 146 1HG LYS 22 HG2 LYS 22 7.020 3.699 8.140 147 2HG LYS 22 HG1 LYS 22 8.127 4.795 7.307 148 1HD LYS 22 HD2 LYS 22 5.377 5.419 8.371 149 2HD LYS 22 HD1 LYS 22 6.919 6.063 8.937 150 1HE LYS 22 HE2 LYS 22 5.685 6.575 6.217 151 2HE LYS 22 HE1 LYS 22 5.705 7.677 7.575 152 1HZ LYS 22 HZ1 LYS 22 7.438 8.245 6.054 153 2HZ LYS 22 HZ2 LYS 22 8.096 6.692 6.130 154 3HZ LYS 22 HZ3 LYS 22 8.130 7.693 7.495 155 H GLN 23 HN GLN 23 5.076 1.456 4.945 156 HA GLN 23 HA GLN 23 4.955 -0.012 7.405 157 1HB GLN 23 HB2 GLN 23 3.384 0.011 4.852 158 2HB GLN 23 HB1 GLN 23 3.149 -1.292 5.996 159 1HG GLN 23 HG2 GLN 23 2.474 0.212 7.672 160 2HG GLN 23 HG1 GLN 23 2.878 1.613 6.723 161 1HE2 GLN 23 HE21 GLN 23 0.639 -1.054 7.125 162 2HE2 GLN 23 HE22 GLN 23 -0.610 -0.378 6.142 163 H THR 24 HN THR 24 5.290 -1.134 4.010 164 HA THR 24 HA THR 24 6.554 -3.561 5.118 165 HB THR 24 HB THR 24 5.917 -4.557 2.875 166 HG1 THR 24 HG1 THR 24 4.713 -3.380 1.514 167 1HG2 THR 24 HG21 THR 24 3.586 -4.883 3.485 168 2HG2 THR 24 HG22 THR 24 3.690 -3.546 4.630 169 3HG2 THR 24 HG23 THR 24 4.641 -5.010 4.892 170 H GLY 25 HN GLY 25 7.124 -0.940 2.832 171 1HA GLY 25 HA2 GLY 25 9.656 -0.643 2.628 172 2HA GLY 25 HA1 GLY 25 9.636 -2.283 2.006 173 H CYS 26 HN CYS 26 7.382 -2.232 0.394 174 HA CYS 26 HA CYS 26 8.418 -0.603 -1.787 175 1HB CYS 26 HB2 CYS 26 6.322 -2.731 -1.851 176 2HB CYS 26 HB1 CYS 26 7.082 -2.009 -3.248 177 HA PRO 27 HA PRO 27 4.997 2.217 -1.474 178 1HB PRO 27 HB2 PRO 27 5.429 3.676 -3.658 179 2HB PRO 27 HB1 PRO 27 6.642 3.595 -2.377 180 1HG PRO 27 HG2 PRO 27 6.553 2.107 -4.974 181 2HG PRO 27 HG1 PRO 27 7.918 2.942 -4.210 182 1HD PRO 27 HD2 PRO 27 7.454 0.226 -4.046 183 2HD PRO 27 HD1 PRO 27 8.409 1.165 -2.881 184 H ASN 28 HN ASN 28 4.575 -0.487 -3.012 185 HA ASN 28 HA ASN 28 2.695 0.288 -5.070 186 1HB ASN 28 HB2 ASN 28 3.494 -2.402 -3.945 187 2HB ASN 28 HB1 ASN 28 2.280 -2.198 -5.193 188 1HD2 ASN 28 HD21 ASN 28 3.338 -3.290 -6.774 189 2HD2 ASN 28 HD22 ASN 28 4.801 -2.712 -7.487 190 H ALA 29 HN ALA 29 0.810 1.123 -4.404 191 HA ALA 29 HA ALA 29 -0.801 -0.382 -2.467 192 1HB ALA 29 HB1 ALA 29 -1.110 1.378 -0.984 193 2HB ALA 29 HB2 ALA 29 -0.457 2.581 -2.097 194 3HB ALA 29 HB3 ALA 29 0.619 1.424 -1.333 195 H LYS 30 HN LYS 30 -3.011 0.246 -2.405 196 HA LYS 30 HA LYS 30 -3.959 2.231 -4.296 197 1HB LYS 30 HB2 LYS 30 -3.996 0.157 -5.661 198 2HB LYS 30 HB1 LYS 30 -5.003 -0.618 -4.440 199 1HG LYS 30 HG2 LYS 30 -6.684 1.242 -4.836 200 2HG LYS 30 HG1 LYS 30 -5.690 1.719 -6.209 201 1HD LYS 30 HD2 LYS 30 -6.049 -0.449 -7.230 202 2HD LYS 30 HD1 LYS 30 -6.961 -0.989 -5.815 203 1HE LYS 30 HE2 LYS 30 -8.600 0.825 -6.227 204 2HE LYS 30 HE1 LYS 30 -7.712 1.256 -7.690 205 1HZ LYS 30 HZ1 LYS 30 -8.183 -0.941 -8.575 206 2HZ LYS 30 HZ2 LYS 30 -9.613 -0.130 -8.180 207 3HZ LYS 30 HZ3 LYS 30 -9.031 -1.353 -7.167 208 H CYS 31 HN CYS 31 -5.987 3.039 -3.683 209 HA CYS 31 HA CYS 31 -6.687 2.464 -0.917 210 1HB CYS 31 HB2 CYS 31 -8.063 4.475 -1.048 211 2HB CYS 31 HB1 CYS 31 -6.426 4.771 -1.572 212 H ILE 32 HN ILE 32 -8.198 1.028 -0.397 213 HA ILE 32 HA ILE 32 -10.296 0.415 -2.377 214 HB ILE 32 HB ILE 32 -9.325 -1.154 0.015 215 1HG1 ILE 32 HG12 ILE 32 -9.035 -2.931 -1.781 216 2HG1 ILE 32 HG11 ILE 32 -9.365 -1.677 -2.971 217 1HG2 ILE 32 HG21 ILE 32 -11.811 -1.506 -1.642 218 2HG2 ILE 32 HG22 ILE 32 -11.646 -1.465 0.114 219 3HG2 ILE 32 HG23 ILE 32 -11.060 -2.852 -0.786 220 1HD1 ILE 32 HD11 ILE 32 -7.362 -0.599 -2.551 221 2HD1 ILE 32 HD12 ILE 32 -6.944 -2.307 -2.443 222 3HD1 ILE 32 HD13 ILE 32 -7.159 -1.360 -0.972 223 H ASN 33 HN ASN 33 -11.661 2.031 -2.119 224 HA ASN 33 HA ASN 33 -13.243 3.400 -1.281 225 1HB ASN 33 HB2 ASN 33 -15.181 2.178 -0.509 226 2HB ASN 33 HB1 ASN 33 -14.372 1.320 -1.808 227 1HD2 ASN 33 HD21 ASN 33 -15.172 -0.678 -1.342 228 2HD2 ASN 33 HD22 ASN 33 -14.777 -1.542 0.100 229 H LYS 34 HN LYS 34 -10.961 3.080 0.711 230 HA LYS 34 HA LYS 34 -11.762 4.747 2.712 231 1HB LYS 34 HB2 LYS 34 -13.321 3.117 3.545 232 2HB LYS 34 HB1 LYS 34 -12.107 1.848 3.458 233 1HG LYS 34 HG2 LYS 34 -10.830 3.048 5.232 234 2HG LYS 34 HG1 LYS 34 -12.161 4.202 5.338 235 1HD LYS 34 HD2 LYS 34 -13.673 2.435 6.001 236 2HD LYS 34 HD1 LYS 34 -12.405 1.225 5.780 237 1HE LYS 34 HE2 LYS 34 -11.094 2.257 7.556 238 2HE LYS 34 HE1 LYS 34 -12.331 3.499 7.765 239 1HZ LYS 34 HZ1 LYS 34 -12.709 0.587 8.209 240 2HZ LYS 34 HZ2 LYS 34 -13.897 1.777 8.409 241 3HZ LYS 34 HZ3 LYS 34 -12.537 1.763 9.412 242 H SER 35 HN SER 35 -10.050 1.634 2.492 243 HA SER 35 HA SER 35 -7.756 2.933 3.811 244 1HB SER 35 HB2 SER 35 -7.165 0.494 4.360 245 2HB SER 35 HB1 SER 35 -8.552 1.217 5.172 246 HG SER 35 HG SER 35 -8.870 -0.941 4.246 247 H CYS 36 HN CYS 36 -5.874 3.137 2.824 248 HA CYS 36 HA CYS 36 -5.480 2.153 0.149 249 1HB CYS 36 HB2 CYS 36 -3.652 3.622 2.032 250 2HB CYS 36 HB1 CYS 36 -3.223 3.174 0.382 251 H LYS 37 HN LYS 37 -5.377 -0.011 0.063 252 HA LYS 37 HA LYS 37 -3.804 -1.480 2.007 253 1HB LYS 37 HB2 LYS 37 -5.932 -2.390 1.219 254 2HB LYS 37 HB1 LYS 37 -5.315 -2.422 -0.428 255 1HG LYS 37 HG2 LYS 37 -3.617 -4.059 0.230 256 2HG LYS 37 HG1 LYS 37 -4.204 -3.996 1.891 257 1HD LYS 37 HD2 LYS 37 -5.075 -5.955 0.766 258 2HD LYS 37 HD1 LYS 37 -6.389 -4.839 1.134 259 1HE LYS 37 HE2 LYS 37 -6.425 -4.069 -1.160 260 2HE LYS 37 HE1 LYS 37 -5.014 -5.053 -1.550 261 1HZ LYS 37 HZ1 LYS 37 -7.675 -6.079 -0.709 262 2HZ LYS 37 HZ2 LYS 37 -6.324 -7.032 -1.080 263 3HZ LYS 37 HZ3 LYS 37 -7.054 -6.095 -2.282 264 H CYS 38 HN CYS 38 -1.786 -2.046 1.751 265 HA CYS 38 HA CYS 38 -0.316 -1.378 -0.662 266 1HB CYS 38 HB2 CYS 38 0.809 -2.933 1.657 267 2HB CYS 38 HB1 CYS 38 1.601 -1.767 0.597 268 H TYR 39 HN TYR 39 0.712 -2.921 -2.015 269 HA TYR 39 HA TYR 39 -0.805 -5.359 -2.298 270 1HB TYR 39 HB2 TYR 39 1.489 -4.196 -3.871 271 2HB TYR 39 HB1 TYR 39 0.741 -5.732 -4.281 272 HD1 TYR 39 HD1 TYR 39 0.470 -2.163 -4.555 273 HD2 TYR 39 HD2 TYR 39 -1.694 -5.785 -4.921 274 HE1 TYR 39 HE1 TYR 39 -1.193 -0.993 -5.910 275 HE2 TYR 39 HE2 TYR 39 -3.385 -4.633 -6.280 276 HH TYR 39 HH TYR 39 -3.049 -2.111 -7.872 277 H GLY 40 HN GLY 40 1.085 -5.065 0.064 278 1HA GLY 40 HA2 GLY 40 2.346 -6.435 1.316 279 2HA GLY 40 HA1 GLY 40 1.836 -7.730 0.246 280 H CYS 41 HN CYS 41 4.109 -5.003 0.402 281 HA CYS 41 HA CYS 41 6.223 -6.766 -0.587 282 1HB CYS 41 HB2 CYS 41 5.214 -5.696 -2.591 283 2HB CYS 41 HB1 CYS 41 5.599 -4.136 -1.937 Start of MODEL 11 1 1H TRP 1 HT1 TRP 1 4.781 4.836 11.339 2 2H TRP 1 HT2 TRP 1 3.440 3.940 11.933 3 3H TRP 1 HT3 TRP 1 3.284 5.617 11.604 4 HA TRP 1 HA TRP 1 3.564 5.310 9.328 5 1HB TRP 1 HB2 TRP 1 3.778 3.024 8.370 6 2HB TRP 1 HB1 TRP 1 5.167 3.492 9.340 7 HD1 TRP 1 HD1 TRP 1 2.070 1.206 9.511 8 HE1 TRP 1 HE1 TRP 1 2.553 -0.682 11.190 9 HE3 TRP 1 HE3 TRP 1 6.579 2.828 11.275 10 HZ2 TRP 1 HZ2 TRP 1 4.579 -1.390 13.015 11 HZ3 TRP 1 HZ3 TRP 1 7.727 1.485 12.985 12 HH2 TRP 1 HH2 TRP 1 6.745 -0.579 13.836 13 H CYS 2 HN CYS 2 1.858 4.478 7.889 14 HA CYS 2 HA CYS 2 -0.645 4.646 9.285 15 1HB CYS 2 HB2 CYS 2 -0.114 5.799 7.129 16 2HB CYS 2 HB1 CYS 2 -0.158 4.239 6.322 17 H SER 3 HN SER 3 -0.859 2.750 10.454 18 HA SER 3 HA SER 3 -0.877 0.187 9.030 19 1HB SER 3 HB2 SER 3 0.198 0.414 11.275 20 2HB SER 3 HB1 SER 3 -1.388 0.752 11.965 21 HG SER 3 HG SER 3 -0.429 -1.638 10.803 22 H THR 4 HN THR 4 -3.006 2.690 9.536 23 HA THR 4 HA THR 4 -5.344 0.896 9.519 24 HB THR 4 HB THR 4 -5.308 3.810 10.398 25 HG1 THR 4 HG1 THR 4 -4.105 2.790 11.928 26 1HG2 THR 4 HG21 THR 4 -7.438 3.200 11.442 27 2HG2 THR 4 HG22 THR 4 -7.306 1.574 10.773 28 3HG2 THR 4 HG23 THR 4 -7.476 2.959 9.702 29 H CYS 5 HN CYS 5 -4.516 4.241 8.530 30 HA CYS 5 HA CYS 5 -4.960 5.427 6.644 31 1HB CYS 5 HB2 CYS 5 -5.013 2.704 5.306 32 2HB CYS 5 HB1 CYS 5 -4.847 4.255 4.515 33 H LEU 6 HN LEU 6 -7.146 4.823 8.292 34 HA LEU 6 HA LEU 6 -9.348 4.103 6.525 35 1HB LEU 6 HB2 LEU 6 -9.268 3.273 8.837 36 2HB LEU 6 HB1 LEU 6 -9.318 4.922 9.434 37 HG LEU 6 HG LEU 6 -11.576 5.172 8.398 38 1HD1 LEU 6 HD11 LEU 6 -11.397 3.513 6.642 39 2HD1 LEU 6 HD12 LEU 6 -12.766 3.148 7.685 40 3HD1 LEU 6 HD13 LEU 6 -11.270 2.224 7.840 41 1HD2 LEU 6 HD21 LEU 6 -11.306 2.875 10.333 42 2HD2 LEU 6 HD22 LEU 6 -12.758 3.838 10.050 43 3HD2 LEU 6 HD23 LEU 6 -11.329 4.588 10.756 44 H ASP 7 HN ASP 7 -7.875 6.916 7.944 45 HA ASP 7 HA ASP 7 -10.079 8.662 7.122 46 1HB ASP 7 HB2 ASP 7 -8.706 10.457 8.193 47 2HB ASP 7 HB1 ASP 7 -9.160 9.151 9.281 48 H LEU 8 HN LEU 8 -7.608 7.226 5.593 49 HA LEU 8 HA LEU 8 -7.017 9.534 3.877 50 1HB LEU 8 HB2 LEU 8 -5.126 8.315 5.082 51 2HB LEU 8 HB1 LEU 8 -5.494 6.934 4.067 52 HG LEU 8 HG LEU 8 -5.015 8.382 2.062 53 1HD1 LEU 8 HD11 LEU 8 -3.812 10.454 2.384 54 2HD1 LEU 8 HD12 LEU 8 -3.970 10.300 4.133 55 3HD1 LEU 8 HD13 LEU 8 -5.397 10.555 3.138 56 1HD2 LEU 8 HD21 LEU 8 -3.369 6.820 3.170 57 2HD2 LEU 8 HD22 LEU 8 -2.685 8.231 3.952 58 3HD2 LEU 8 HD23 LEU 8 -2.685 8.108 2.193 59 H ALA 9 HN ALA 9 -9.421 7.916 3.884 60 HA ALA 9 HA ALA 9 -9.543 5.814 2.158 61 1HB ALA 9 HB1 ALA 9 -11.345 6.528 3.635 62 2HB ALA 9 HB2 ALA 9 -11.919 6.275 1.987 63 3HB ALA 9 HB3 ALA 9 -11.660 7.914 2.592 64 H CYS 10 HN CYS 10 -8.113 6.276 0.440 65 HA CYS 10 HA CYS 10 -7.533 6.826 -1.636 66 1HB CYS 10 HB2 CYS 10 -9.906 5.825 -2.028 67 2HB CYS 10 HB1 CYS 10 -10.419 7.483 -2.249 68 H THR 11 HN THR 11 -7.127 8.782 0.185 69 HA THR 11 HA THR 11 -8.116 11.320 -0.827 70 HB THR 11 HB THR 11 -5.770 10.891 1.050 71 HG1 THR 11 HG1 THR 11 -7.695 9.841 1.833 72 1HG2 THR 11 HG21 THR 11 -7.697 13.186 0.684 73 2HG2 THR 11 HG22 THR 11 -6.003 13.160 0.195 74 3HG2 THR 11 HG23 THR 11 -6.427 13.098 1.903 75 H GLY 12 HN GLY 12 -5.570 9.108 -1.448 76 1HA GLY 12 HA2 GLY 12 -4.848 10.167 -3.857 77 2HA GLY 12 HA1 GLY 12 -3.737 10.901 -2.704 78 H SER 13 HN SER 13 -3.831 8.535 -4.859 79 HA SER 13 HA SER 13 -2.906 6.258 -3.467 80 1HB SER 13 HB2 SER 13 -2.302 7.135 -6.304 81 2HB SER 13 HB1 SER 13 -2.041 5.516 -5.650 82 HG SER 13 HG SER 13 -4.037 5.713 -6.778 83 H LYS 14 HN LYS 14 -1.156 8.946 -5.023 84 HA LYS 14 HA LYS 14 1.441 8.117 -4.254 85 1HB LYS 14 HB2 LYS 14 2.144 10.398 -4.743 86 2HB LYS 14 HB1 LYS 14 1.096 9.775 -6.011 87 1HG LYS 14 HG2 LYS 14 -0.768 11.041 -5.194 88 2HG LYS 14 HG1 LYS 14 0.144 11.564 -3.782 89 1HD LYS 14 HD2 LYS 14 1.699 12.777 -5.205 90 2HD LYS 14 HD1 LYS 14 0.816 12.243 -6.639 91 1HE LYS 14 HE2 LYS 14 0.215 14.524 -5.991 92 2HE LYS 14 HE1 LYS 14 -1.163 13.430 -5.892 93 1HZ LYS 14 HZ1 LYS 14 0.496 14.125 -3.530 94 2HZ LYS 14 HZ2 LYS 14 -1.030 13.394 -3.563 95 3HZ LYS 14 HZ3 LYS 14 -0.866 15.015 -3.994 96 H ASP 15 HN ASP 15 -1.071 9.899 -2.639 97 HA ASP 15 HA ASP 15 0.501 10.889 -0.496 98 1HB ASP 15 HB2 ASP 15 -2.466 10.387 -0.778 99 2HB ASP 15 HB1 ASP 15 -1.755 11.103 0.659 100 H CYS 16 HN CYS 16 -1.139 7.841 -1.102 101 HA CYS 16 HA CYS 16 -0.580 6.916 1.615 102 1HB CYS 16 HB2 CYS 16 -2.729 6.395 0.368 103 2HB CYS 16 HB1 CYS 16 -1.787 5.312 -0.648 104 H TYR 17 HN TYR 17 0.845 6.834 -1.536 105 HA TYR 17 HA TYR 17 2.184 4.402 -1.471 106 1HB TYR 17 HB2 TYR 17 2.812 7.034 -2.787 107 2HB TYR 17 HB1 TYR 17 3.940 5.691 -2.925 108 HD1 TYR 17 HD1 TYR 17 2.782 6.908 -5.312 109 HD2 TYR 17 HD2 TYR 17 1.261 3.752 -2.878 110 HE1 TYR 17 HE1 TYR 17 1.520 6.025 -7.221 111 HE2 TYR 17 HE2 TYR 17 0.020 2.892 -4.772 112 HH TYR 17 HH TYR 17 -0.863 4.328 -7.243 113 H ALA 18 HN ALA 18 3.280 7.514 -0.188 114 HA ALA 18 HA ALA 18 5.833 6.615 0.566 115 1HB ALA 18 HB1 ALA 18 5.355 8.589 2.384 116 2HB ALA 18 HB2 ALA 18 4.187 8.979 1.121 117 3HB ALA 18 HB3 ALA 18 5.893 8.830 0.726 118 HA PRO 19 HA PRO 19 3.957 5.639 5.003 119 1HB PRO 19 HB2 PRO 19 1.097 5.257 4.234 120 2HB PRO 19 HB1 PRO 19 1.799 5.944 5.703 121 1HG PRO 19 HG2 PRO 19 0.681 7.501 3.863 122 2HG PRO 19 HG1 PRO 19 2.143 8.013 4.729 123 1HD PRO 19 HD2 PRO 19 1.871 6.970 1.965 124 2HD PRO 19 HD1 PRO 19 2.896 8.236 2.586 125 H CYS 20 HN CYS 20 2.443 4.313 2.074 126 HA CYS 20 HA CYS 20 2.141 1.661 3.000 127 1HB CYS 20 HB2 CYS 20 0.967 2.454 1.021 128 2HB CYS 20 HB1 CYS 20 2.493 2.709 0.181 129 H ARG 21 HN ARG 21 4.747 3.218 1.123 130 HA ARG 21 HA ARG 21 6.365 0.877 0.982 131 1HB ARG 21 HB2 ARG 21 6.660 2.755 -0.551 132 2HB ARG 21 HB1 ARG 21 7.145 3.793 0.781 133 1HG ARG 21 HG2 ARG 21 9.138 2.471 1.144 134 2HG ARG 21 HG1 ARG 21 8.628 1.317 -0.089 135 1HD ARG 21 HD2 ARG 21 10.341 2.915 -0.882 136 2HD ARG 21 HD1 ARG 21 8.833 2.965 -1.800 137 HE ARG 21 HE ARG 21 9.014 4.893 0.359 138 1HH1 ARG 21 HH11 ARG 21 9.779 4.307 -3.025 139 2HH1 ARG 21 HH12 ARG 21 9.651 5.972 -3.447 140 1HH2 ARG 21 HH21 ARG 21 8.872 7.081 -0.227 141 2HH2 ARG 21 HH22 ARG 21 9.148 7.550 -1.872 142 H LYS 22 HN LYS 22 5.993 3.486 3.305 143 HA LYS 22 HA LYS 22 8.250 2.801 4.909 144 1HB LYS 22 HB2 LYS 22 7.078 4.994 4.906 145 2HB LYS 22 HB1 LYS 22 5.720 4.255 5.733 146 1HG LYS 22 HG2 LYS 22 7.063 3.769 7.658 147 2HG LYS 22 HG1 LYS 22 8.527 4.315 6.837 148 1HD LYS 22 HD2 LYS 22 6.141 6.045 7.522 149 2HD LYS 22 HD1 LYS 22 7.665 5.999 8.407 150 1HE LYS 22 HE2 LYS 22 8.837 6.724 6.336 151 2HE LYS 22 HE1 LYS 22 7.270 6.883 5.547 152 1HZ LYS 22 HZ1 LYS 22 6.644 8.542 7.174 153 2HZ LYS 22 HZ2 LYS 22 8.056 8.993 6.360 154 3HZ LYS 22 HZ3 LYS 22 8.149 8.395 7.938 155 H GLN 23 HN GLN 23 5.010 1.585 4.596 156 HA GLN 23 HA GLN 23 5.011 0.123 7.083 157 1HB GLN 23 HB2 GLN 23 2.889 0.856 6.284 158 2HB GLN 23 HB1 GLN 23 3.170 0.176 4.695 159 1HG GLN 23 HG2 GLN 23 1.595 -1.178 5.855 160 2HG GLN 23 HG1 GLN 23 3.075 -2.100 5.673 161 1HE2 GLN 23 HE21 GLN 23 4.359 -2.497 7.546 162 2HE2 GLN 23 HE22 GLN 23 3.690 -2.322 9.122 163 H THR 24 HN THR 24 4.836 -0.931 3.661 164 HA THR 24 HA THR 24 5.638 -3.598 4.489 165 HB THR 24 HB THR 24 5.140 -4.213 2.123 166 HG1 THR 24 HG1 THR 24 4.577 -2.672 0.673 167 1HG2 THR 24 HG21 THR 24 2.995 -2.559 3.454 168 2HG2 THR 24 HG22 THR 24 3.352 -4.255 3.783 169 3HG2 THR 24 HG23 THR 24 2.746 -3.773 2.200 170 H GLY 25 HN GLY 25 7.030 -0.923 2.680 171 1HA GLY 25 HA2 GLY 25 9.466 -0.832 2.470 172 2HA GLY 25 HA1 GLY 25 9.459 -2.565 2.178 173 H CYS 26 HN CYS 26 6.829 -2.043 0.645 174 HA CYS 26 HA CYS 26 8.086 -1.108 -1.836 175 1HB CYS 26 HB2 CYS 26 6.123 -3.342 -1.367 176 2HB CYS 26 HB1 CYS 26 6.376 -2.635 -2.939 177 HA PRO 27 HA PRO 27 4.842 1.922 -1.666 178 1HB PRO 27 HB2 PRO 27 5.353 3.227 -3.935 179 2HB PRO 27 HB1 PRO 27 6.549 3.172 -2.640 180 1HG PRO 27 HG2 PRO 27 6.401 1.491 -5.117 181 2HG PRO 27 HG1 PRO 27 7.793 2.358 -4.442 182 1HD PRO 27 HD2 PRO 27 7.326 -0.311 -4.037 183 2HD PRO 27 HD1 PRO 27 8.221 0.721 -2.901 184 H ASN 28 HN ASN 28 4.241 -0.834 -3.011 185 HA ASN 28 HA ASN 28 2.430 -0.052 -5.139 186 1HB ASN 28 HB2 ASN 28 3.122 -2.747 -3.953 187 2HB ASN 28 HB1 ASN 28 1.938 -2.516 -5.229 188 1HD2 ASN 28 HD21 ASN 28 5.291 -2.591 -4.454 189 2HD2 ASN 28 HD22 ASN 28 5.871 -2.469 -6.069 190 H ALA 29 HN ALA 29 0.784 1.085 -4.244 191 HA ALA 29 HA ALA 29 -1.034 -0.404 -2.467 192 1HB ALA 29 HB1 ALA 29 -0.769 1.049 -0.822 193 2HB ALA 29 HB2 ALA 29 -1.303 2.358 -1.870 194 3HB ALA 29 HB3 ALA 29 0.409 1.957 -1.762 195 H LYS 30 HN LYS 30 -3.217 0.505 -2.462 196 HA LYS 30 HA LYS 30 -3.972 2.272 -4.612 197 1HB LYS 30 HB2 LYS 30 -3.774 0.073 -5.766 198 2HB LYS 30 HB1 LYS 30 -4.969 -0.589 -4.661 199 1HG LYS 30 HG2 LYS 30 -6.666 0.890 -5.515 200 2HG LYS 30 HG1 LYS 30 -5.479 1.736 -6.511 201 1HD LYS 30 HD2 LYS 30 -6.643 0.243 -7.939 202 2HD LYS 30 HD1 LYS 30 -5.035 -0.436 -7.690 203 1HE LYS 30 HE2 LYS 30 -6.100 -1.854 -5.842 204 2HE LYS 30 HE1 LYS 30 -7.648 -1.314 -6.483 205 1HZ LYS 30 HZ1 LYS 30 -7.054 -2.277 -8.616 206 2HZ LYS 30 HZ2 LYS 30 -6.991 -3.441 -7.393 207 3HZ LYS 30 HZ3 LYS 30 -5.561 -2.783 -8.000 208 H CYS 31 HN CYS 31 -6.110 3.054 -4.317 209 HA CYS 31 HA CYS 31 -7.079 2.673 -1.600 210 1HB CYS 31 HB2 CYS 31 -8.474 4.550 -1.983 211 2HB CYS 31 HB1 CYS 31 -6.853 4.943 -2.513 212 H ILE 32 HN ILE 32 -8.437 1.061 -1.192 213 HA ILE 32 HA ILE 32 -10.420 0.307 -3.248 214 HB ILE 32 HB ILE 32 -9.447 -1.221 -0.823 215 1HG1 ILE 32 HG12 ILE 32 -8.966 -2.970 -2.601 216 2HG1 ILE 32 HG11 ILE 32 -9.311 -1.735 -3.807 217 1HG2 ILE 32 HG21 ILE 32 -11.806 -1.728 -2.626 218 2HG2 ILE 32 HG22 ILE 32 -11.767 -1.633 -0.864 219 3HG2 ILE 32 HG23 ILE 32 -11.042 -3.007 -1.682 220 1HD1 ILE 32 HD11 ILE 32 -7.400 -0.539 -3.287 221 2HD1 ILE 32 HD12 ILE 32 -6.887 -2.217 -3.159 222 3HD1 ILE 32 HD13 ILE 32 -7.230 -1.292 -1.699 223 H ASN 33 HN ASN 33 -12.175 1.380 -3.024 224 HA ASN 33 HA ASN 33 -13.128 3.233 -1.624 225 1HB ASN 33 HB2 ASN 33 -14.798 0.780 -2.163 226 2HB ASN 33 HB1 ASN 33 -15.483 2.333 -1.689 227 1HD2 ASN 33 HD21 ASN 33 -15.395 4.067 -3.136 228 2HD2 ASN 33 HD22 ASN 33 -15.091 3.811 -4.817 229 H LYS 34 HN LYS 34 -12.071 3.282 0.392 230 HA LYS 34 HA LYS 34 -13.482 3.264 2.667 231 1HB LYS 34 HB2 LYS 34 -13.944 0.862 2.508 232 2HB LYS 34 HB1 LYS 34 -12.224 0.515 2.376 233 1HG LYS 34 HG2 LYS 34 -11.941 1.439 4.669 234 2HG LYS 34 HG1 LYS 34 -13.689 1.662 4.749 235 1HD LYS 34 HD2 LYS 34 -14.030 -0.724 4.524 236 2HD LYS 34 HD1 LYS 34 -12.295 -0.982 4.315 237 1HE LYS 34 HE2 LYS 34 -11.902 -0.102 6.571 238 2HE LYS 34 HE1 LYS 34 -13.639 0.129 6.778 239 1HZ LYS 34 HZ1 LYS 34 -12.277 -2.474 6.343 240 2HZ LYS 34 HZ2 LYS 34 -13.945 -2.255 6.543 241 3HZ LYS 34 HZ3 LYS 34 -12.887 -1.904 7.814 242 H SER 35 HN SER 35 -10.458 1.777 1.565 243 HA SER 35 HA SER 35 -8.850 3.792 2.910 244 1HB SER 35 HB2 SER 35 -7.604 1.980 4.190 245 2HB SER 35 HB1 SER 35 -9.233 2.321 4.770 246 HG SER 35 HG SER 35 -8.701 0.046 4.519 247 H CYS 36 HN CYS 36 -6.516 3.420 2.453 248 HA CYS 36 HA CYS 36 -6.176 2.197 -0.186 249 1HB CYS 36 HB2 CYS 36 -3.939 3.280 -0.164 250 2HB CYS 36 HB1 CYS 36 -5.290 4.397 -0.079 251 H LYS 37 HN LYS 37 -5.320 0.245 -0.419 252 HA LYS 37 HA LYS 37 -3.922 -0.934 1.908 253 1HB LYS 37 HB2 LYS 37 -6.208 -1.847 1.259 254 2HB LYS 37 HB1 LYS 37 -5.458 -2.431 -0.219 255 1HG LYS 37 HG2 LYS 37 -3.866 -3.744 1.181 256 2HG LYS 37 HG1 LYS 37 -4.745 -3.198 2.609 257 1HD LYS 37 HD2 LYS 37 -5.574 -5.354 2.096 258 2HD LYS 37 HD1 LYS 37 -6.825 -4.214 1.600 259 1HE LYS 37 HE2 LYS 37 -5.950 -4.364 -0.730 260 2HE LYS 37 HE1 LYS 37 -4.812 -5.591 -0.178 261 1HZ LYS 37 HZ1 LYS 37 -7.772 -5.790 -0.064 262 2HZ LYS 37 HZ2 LYS 37 -6.683 -6.978 0.456 263 3HZ LYS 37 HZ3 LYS 37 -6.767 -6.566 -1.181 264 H CYS 38 HN CYS 38 -2.094 -2.120 1.548 265 HA CYS 38 HA CYS 38 -0.722 -1.600 -0.974 266 1HB CYS 38 HB2 CYS 38 0.276 -2.872 1.575 267 2HB CYS 38 HB1 CYS 38 1.265 -2.399 0.197 268 H TYR 39 HN TYR 39 0.219 -3.242 -2.226 269 HA TYR 39 HA TYR 39 -1.229 -5.769 -2.239 270 1HB TYR 39 HB2 TYR 39 1.028 -4.735 -3.976 271 2HB TYR 39 HB1 TYR 39 0.182 -6.257 -4.231 272 HD1 TYR 39 HD1 TYR 39 0.100 -2.692 -4.764 273 HD2 TYR 39 HD2 TYR 39 -2.265 -6.222 -4.811 274 HE1 TYR 39 HE1 TYR 39 -1.565 -1.536 -6.137 275 HE2 TYR 39 HE2 TYR 39 -3.946 -5.075 -6.182 276 HH TYR 39 HH TYR 39 -3.466 -2.480 -7.904 277 H GLY 40 HN GLY 40 1.453 -4.503 -0.666 278 1HA GLY 40 HA2 GLY 40 2.606 -5.759 0.956 279 2HA GLY 40 HA1 GLY 40 2.467 -7.194 -0.048 280 H CYS 41 HN CYS 41 4.862 -7.077 0.598 281 HA CYS 41 HA CYS 41 6.264 -5.867 -1.680 282 1HB CYS 41 HB2 CYS 41 6.508 -4.396 0.361 283 2HB CYS 41 HB1 CYS 41 7.305 -5.734 1.165 Start of MODEL 12 1 1H TRP 1 HT1 TRP 1 -0.867 -0.836 13.464 2 2H TRP 1 HT2 TRP 1 -0.559 0.148 12.090 3 3H TRP 1 HT3 TRP 1 -0.520 0.826 13.668 4 HA TRP 1 HA TRP 1 1.330 -0.547 14.247 5 1HB TRP 1 HB2 TRP 1 0.915 -2.429 12.775 6 2HB TRP 1 HB1 TRP 1 1.136 -1.414 11.353 7 HD1 TRP 1 HD1 TRP 1 3.411 -1.816 10.265 8 HE1 TRP 1 HE1 TRP 1 5.767 -2.463 11.070 9 HE3 TRP 1 HE3 TRP 1 2.495 -2.141 15.285 10 HZ2 TRP 1 HZ2 TRP 1 7.068 -3.025 13.510 11 HZ3 TRP 1 HZ3 TRP 1 4.351 -2.734 16.785 12 HH2 TRP 1 HH2 TRP 1 6.588 -3.168 15.914 13 H CYS 2 HN CYS 2 1.129 0.810 10.957 14 HA CYS 2 HA CYS 2 3.600 2.211 11.238 15 1HB CYS 2 HB2 CYS 2 2.817 3.372 9.085 16 2HB CYS 2 HB1 CYS 2 3.083 1.639 9.046 17 H SER 3 HN SER 3 3.945 3.997 12.307 18 HA SER 3 HA SER 3 1.956 5.362 13.716 19 1HB SER 3 HB2 SER 3 4.723 6.407 13.078 20 2HB SER 3 HB1 SER 3 3.721 6.785 14.482 21 HG SER 3 HG SER 3 4.081 4.775 15.286 22 H THR 4 HN THR 4 3.186 5.916 10.497 23 HA THR 4 HA THR 4 1.975 8.591 10.426 24 HB THR 4 HB THR 4 3.521 7.346 8.139 25 HG1 THR 4 HG1 THR 4 4.654 8.601 10.461 26 1HG2 THR 4 HG21 THR 4 3.248 10.174 9.176 27 2HG2 THR 4 HG22 THR 4 2.399 9.506 7.783 28 3HG2 THR 4 HG23 THR 4 4.152 9.674 7.749 29 H CYS 5 HN CYS 5 0.201 6.368 10.600 30 HA CYS 5 HA CYS 5 -1.056 6.496 7.936 31 1HB CYS 5 HB2 CYS 5 -0.996 4.170 9.856 32 2HB CYS 5 HB1 CYS 5 -1.980 4.241 8.397 33 H LEU 6 HN LEU 6 -2.323 8.232 8.474 34 HA LEU 6 HA LEU 6 -4.234 7.944 10.684 35 1HB LEU 6 HB2 LEU 6 -3.686 10.210 8.755 36 2HB LEU 6 HB1 LEU 6 -4.951 10.253 9.949 37 HG LEU 6 HG LEU 6 -3.211 11.514 10.847 38 1HD1 LEU 6 HD11 LEU 6 -2.687 10.397 12.881 39 2HD1 LEU 6 HD12 LEU 6 -2.945 8.813 12.156 40 3HD1 LEU 6 HD13 LEU 6 -4.308 9.909 12.394 41 1HD2 LEU 6 HD21 LEU 6 -0.935 10.901 10.973 42 2HD2 LEU 6 HD22 LEU 6 -1.440 10.591 9.315 43 3HD2 LEU 6 HD23 LEU 6 -1.259 9.252 10.450 44 H ASP 7 HN ASP 7 -6.442 9.281 9.471 45 HA ASP 7 HA ASP 7 -7.561 7.033 8.068 46 1HB ASP 7 HB2 ASP 7 -8.736 9.723 8.802 47 2HB ASP 7 HB1 ASP 7 -9.645 8.418 8.044 48 H LEU 8 HN LEU 8 -5.747 7.488 6.373 49 HA LEU 8 HA LEU 8 -6.437 9.509 4.400 50 1HB LEU 8 HB2 LEU 8 -4.250 7.457 4.656 51 2HB LEU 8 HB1 LEU 8 -4.539 8.252 3.123 52 HG LEU 8 HG LEU 8 -4.195 10.455 4.276 53 1HD1 LEU 8 HD11 LEU 8 -3.230 8.683 6.514 54 2HD1 LEU 8 HD12 LEU 8 -4.586 9.809 6.564 55 3HD1 LEU 8 HD13 LEU 8 -2.946 10.420 6.398 56 1HD2 LEU 8 HD21 LEU 8 -1.887 8.513 4.319 57 2HD2 LEU 8 HD22 LEU 8 -1.771 10.273 4.248 58 3HD2 LEU 8 HD23 LEU 8 -2.479 9.382 2.903 59 H ALA 9 HN ALA 9 -8.393 7.440 4.984 60 HA ALA 9 HA ALA 9 -8.416 5.234 3.428 61 1HB ALA 9 HB1 ALA 9 -10.002 5.701 5.222 62 2HB ALA 9 HB2 ALA 9 -10.818 5.172 3.752 63 3HB ALA 9 HB3 ALA 9 -10.820 6.880 4.198 64 H CYS 10 HN CYS 10 -7.517 5.766 1.405 65 HA CYS 10 HA CYS 10 -7.561 6.145 -0.764 66 1HB CYS 10 HB2 CYS 10 -9.723 4.720 -0.394 67 2HB CYS 10 HB1 CYS 10 -10.564 6.220 -0.754 68 H THR 11 HN THR 11 -7.262 8.345 0.799 69 HA THR 11 HA THR 11 -8.820 10.497 -0.360 70 HB THR 11 HB THR 11 -8.008 10.686 1.973 71 HG1 THR 11 HG1 THR 11 -8.307 12.650 1.023 72 1HG2 THR 11 HG21 THR 11 -5.846 9.459 1.602 73 2HG2 THR 11 HG22 THR 11 -5.703 10.951 2.510 74 3HG2 THR 11 HG23 THR 11 -5.235 10.908 0.816 75 H GLY 12 HN GLY 12 -5.952 8.733 -1.049 76 1HA GLY 12 HA2 GLY 12 -5.649 9.839 -3.604 77 2HA GLY 12 HA1 GLY 12 -4.484 10.604 -2.526 78 H SER 13 HN SER 13 -4.415 8.494 -4.802 79 HA SER 13 HA SER 13 -3.474 6.083 -3.661 80 1HB SER 13 HB2 SER 13 -2.719 7.204 -6.375 81 2HB SER 13 HB1 SER 13 -2.749 5.510 -5.878 82 HG SER 13 HG SER 13 -4.612 6.272 -7.111 83 H LYS 14 HN LYS 14 -1.809 9.019 -4.767 84 HA LYS 14 HA LYS 14 0.798 8.027 -4.182 85 1HB LYS 14 HB2 LYS 14 -0.147 10.846 -4.603 86 2HB LYS 14 HB1 LYS 14 1.539 10.337 -4.557 87 1HG LYS 14 HG2 LYS 14 1.211 8.991 -6.549 88 2HG LYS 14 HG1 LYS 14 -0.497 9.439 -6.590 89 1HD LYS 14 HD2 LYS 14 0.155 11.807 -6.853 90 2HD LYS 14 HD1 LYS 14 1.852 11.322 -6.867 91 1HE LYS 14 HE2 LYS 14 -0.226 10.408 -8.857 92 2HE LYS 14 HE1 LYS 14 0.923 11.717 -9.122 93 1HZ LYS 14 HZ1 LYS 14 1.574 8.855 -8.689 94 2HZ LYS 14 HZ2 LYS 14 2.729 10.089 -8.793 95 3HZ LYS 14 HZ3 LYS 14 1.746 9.732 -10.122 96 H ASP 15 HN ASP 15 -1.677 9.673 -2.433 97 HA ASP 15 HA ASP 15 -0.088 10.441 -0.183 98 1HB ASP 15 HB2 ASP 15 -3.053 10.032 -0.585 99 2HB ASP 15 HB1 ASP 15 -2.380 10.453 0.984 100 H CYS 16 HN CYS 16 -1.743 7.520 -1.198 101 HA CYS 16 HA CYS 16 -1.390 6.194 1.349 102 1HB CYS 16 HB2 CYS 16 -2.247 5.172 -1.356 103 2HB CYS 16 HB1 CYS 16 -2.187 4.190 0.082 104 H TYR 17 HN TYR 17 0.356 6.454 -1.688 105 HA TYR 17 HA TYR 17 1.996 4.207 -1.519 106 1HB TYR 17 HB2 TYR 17 2.562 6.965 -2.621 107 2HB TYR 17 HB1 TYR 17 3.672 5.614 -2.824 108 HD1 TYR 17 HD1 TYR 17 2.378 7.245 -5.038 109 HD2 TYR 17 HD2 TYR 17 1.262 3.566 -3.195 110 HE1 TYR 17 HE1 TYR 17 1.199 6.571 -7.079 111 HE2 TYR 17 HE2 TYR 17 0.100 2.916 -5.232 112 HH TYR 17 HH TYR 17 -0.972 4.666 -7.418 113 H ALA 18 HN ALA 18 2.398 7.374 -0.001 114 HA ALA 18 HA ALA 18 5.013 6.969 0.908 115 1HB ALA 18 HB1 ALA 18 4.650 9.132 1.206 116 2HB ALA 18 HB2 ALA 18 3.962 8.708 2.769 117 3HB ALA 18 HB3 ALA 18 2.911 8.939 1.373 118 HA PRO 19 HA PRO 19 3.274 5.483 5.209 119 1HB PRO 19 HB2 PRO 19 0.494 4.659 4.549 120 2HB PRO 19 HB1 PRO 19 1.140 5.524 5.941 121 1HG PRO 19 HG2 PRO 19 -0.295 6.782 4.094 122 2HG PRO 19 HG1 PRO 19 1.063 7.566 4.925 123 1HD PRO 19 HD2 PRO 19 0.956 6.386 2.203 124 2HD PRO 19 HD1 PRO 19 1.717 7.862 2.743 125 H CYS 20 HN CYS 20 2.021 4.019 2.222 126 HA CYS 20 HA CYS 20 2.174 1.324 3.089 127 1HB CYS 20 HB2 CYS 20 0.955 1.987 1.054 128 2HB CYS 20 HB1 CYS 20 2.471 2.438 0.287 129 H ARG 21 HN ARG 21 4.494 3.490 1.490 130 HA ARG 21 HA ARG 21 6.612 1.601 1.303 131 1HB ARG 21 HB2 ARG 21 6.618 3.649 -0.014 132 2HB ARG 21 HB1 ARG 21 6.669 4.622 1.452 133 1HG ARG 21 HG2 ARG 21 8.877 3.687 1.986 134 2HG ARG 21 HG1 ARG 21 8.814 2.732 0.505 135 1HD ARG 21 HD2 ARG 21 8.761 4.737 -0.820 136 2HD ARG 21 HD1 ARG 21 8.700 5.745 0.629 137 HE ARG 21 HE ARG 21 10.977 4.341 0.998 138 1HH1 ARG 21 HH11 ARG 21 9.779 6.234 -1.714 139 2HH1 ARG 21 HH12 ARG 21 11.357 6.697 -2.220 140 1HH2 ARG 21 HH21 ARG 21 13.046 4.996 0.329 141 2HH2 ARG 21 HH22 ARG 21 13.217 6.006 -1.068 142 H LYS 22 HN LYS 22 5.581 3.901 3.772 143 HA LYS 22 HA LYS 22 7.772 3.573 5.527 144 1HB LYS 22 HB2 LYS 22 4.904 4.383 5.991 145 2HB LYS 22 HB1 LYS 22 6.097 4.410 7.266 146 1HG LYS 22 HG2 LYS 22 6.251 5.980 4.702 147 2HG LYS 22 HG1 LYS 22 5.730 6.622 6.251 148 1HD LYS 22 HD2 LYS 22 8.463 5.433 5.690 149 2HD LYS 22 HD1 LYS 22 8.084 7.146 5.688 150 1HE LYS 22 HE2 LYS 22 7.778 5.306 8.062 151 2HE LYS 22 HE1 LYS 22 9.092 6.441 7.796 152 1HZ LYS 22 HZ1 LYS 22 7.569 7.481 9.229 153 2HZ LYS 22 HZ2 LYS 22 6.241 7.080 8.269 154 3HZ LYS 22 HZ3 LYS 22 7.360 8.230 7.727 155 H GLN 23 HN GLN 23 4.842 1.724 5.025 156 HA GLN 23 HA GLN 23 5.227 0.136 7.412 157 1HB GLN 23 HB2 GLN 23 2.980 0.687 6.599 158 2HB GLN 23 HB1 GLN 23 3.299 -0.179 5.102 159 1HG GLN 23 HG2 GLN 23 3.583 -2.263 6.442 160 2HG GLN 23 HG1 GLN 23 3.125 -1.344 7.875 161 1HE2 GLN 23 HE21 GLN 23 1.302 -2.627 8.239 162 2HE2 GLN 23 HE22 GLN 23 -0.091 -2.527 7.222 163 H THR 24 HN THR 24 5.116 -0.631 3.924 164 HA THR 24 HA THR 24 6.268 -3.237 4.475 165 HB THR 24 HB THR 24 5.792 -3.710 2.106 166 HG1 THR 24 HG1 THR 24 5.111 -2.129 0.742 167 1HG2 THR 24 HG21 THR 24 3.499 -2.311 3.491 168 2HG2 THR 24 HG22 THR 24 3.983 -3.991 3.729 169 3HG2 THR 24 HG23 THR 24 3.364 -3.465 2.164 170 H GLY 25 HN GLY 25 7.265 -0.228 2.945 171 1HA GLY 25 HA2 GLY 25 9.609 0.276 2.682 172 2HA GLY 25 HA1 GLY 25 9.921 -1.425 2.389 173 H CYS 26 HN CYS 26 7.282 -1.410 0.795 174 HA CYS 26 HA CYS 26 8.512 -0.560 -1.703 175 1HB CYS 26 HB2 CYS 26 6.222 -2.443 -1.149 176 2HB CYS 26 HB1 CYS 26 6.797 -2.022 -2.761 177 HA PRO 27 HA PRO 27 5.584 2.764 -1.803 178 1HB PRO 27 HB2 PRO 27 6.369 3.926 -4.053 179 2HB PRO 27 HB1 PRO 27 7.490 3.738 -2.701 180 1HG PRO 27 HG2 PRO 27 7.288 2.133 -5.211 181 2HG PRO 27 HG1 PRO 27 8.732 2.701 -4.355 182 1HD PRO 27 HD2 PRO 27 7.595 0.150 -4.145 183 2HD PRO 27 HD1 PRO 27 8.779 0.871 -3.036 184 H ASN 28 HN ASN 28 4.842 0.027 -3.272 185 HA ASN 28 HA ASN 28 2.975 1.185 -5.223 186 1HB ASN 28 HB2 ASN 28 4.147 -1.563 -4.892 187 2HB ASN 28 HB1 ASN 28 2.707 -1.294 -5.872 188 1HD2 ASN 28 HD21 ASN 28 2.880 -0.229 -7.822 189 2HD2 ASN 28 HD22 ASN 28 4.409 0.123 -8.545 190 H ALA 29 HN ALA 29 0.996 1.481 -4.577 191 HA ALA 29 HA ALA 29 -0.346 -0.417 -2.830 192 1HB ALA 29 HB1 ALA 29 -0.548 0.913 -1.034 193 2HB ALA 29 HB2 ALA 29 -0.703 2.389 -1.984 194 3HB ALA 29 HB3 ALA 29 0.886 1.703 -1.671 195 H LYS 30 HN LYS 30 -2.630 0.382 -2.403 196 HA LYS 30 HA LYS 30 -3.806 1.999 -4.523 197 1HB LYS 30 HB2 LYS 30 -3.795 -0.231 -5.503 198 2HB LYS 30 HB1 LYS 30 -4.547 -0.910 -4.068 199 1HG LYS 30 HG2 LYS 30 -6.558 0.447 -4.515 200 2HG LYS 30 HG1 LYS 30 -5.781 1.077 -5.969 201 1HD LYS 30 HD2 LYS 30 -5.662 -1.200 -6.873 202 2HD LYS 30 HD1 LYS 30 -6.444 -1.818 -5.418 203 1HE LYS 30 HE2 LYS 30 -8.050 -1.599 -7.215 204 2HE LYS 30 HE1 LYS 30 -8.423 -0.451 -5.931 205 1HZ LYS 30 HZ1 LYS 30 -7.525 1.316 -7.212 206 2HZ LYS 30 HZ2 LYS 30 -8.567 0.455 -8.222 207 3HZ LYS 30 HZ3 LYS 30 -6.895 0.263 -8.380 208 H CYS 31 HN CYS 31 -5.748 2.947 -3.809 209 HA CYS 31 HA CYS 31 -6.255 2.482 -0.958 210 1HB CYS 31 HB2 CYS 31 -7.243 4.583 -0.872 211 2HB CYS 31 HB1 CYS 31 -5.740 4.758 -1.709 212 H ILE 32 HN ILE 32 -8.035 1.632 -0.210 213 HA ILE 32 HA ILE 32 -10.359 1.339 -2.023 214 HB ILE 32 HB ILE 32 -11.066 -0.558 -0.578 215 1HG1 ILE 32 HG12 ILE 32 -8.256 -0.372 0.550 216 2HG1 ILE 32 HG11 ILE 32 -9.725 0.028 1.428 217 1HG2 ILE 32 HG21 ILE 32 -9.611 -2.204 -1.582 218 2HG2 ILE 32 HG22 ILE 32 -8.382 -0.976 -1.887 219 3HG2 ILE 32 HG23 ILE 32 -9.928 -0.909 -2.731 220 1HD1 ILE 32 HD11 ILE 32 -8.875 -2.669 0.439 221 2HD1 ILE 32 HD12 ILE 32 -10.469 -2.323 1.108 222 3HD1 ILE 32 HD13 ILE 32 -9.029 -2.121 2.105 223 H ASN 33 HN ASN 33 -12.394 1.741 -1.050 224 HA ASN 33 HA ASN 33 -12.339 3.986 0.673 225 1HB ASN 33 HB2 ASN 33 -14.077 3.696 -1.007 226 2HB ASN 33 HB1 ASN 33 -14.669 2.259 -0.183 227 1HD2 ASN 33 HD21 ASN 33 -14.306 5.759 0.073 228 2HD2 ASN 33 HD22 ASN 33 -15.575 5.969 1.226 229 H LYS 34 HN LYS 34 -11.141 3.179 2.392 230 HA LYS 34 HA LYS 34 -12.377 2.734 4.777 231 1HB LYS 34 HB2 LYS 34 -11.980 0.199 3.300 232 2HB LYS 34 HB1 LYS 34 -11.288 0.192 4.915 233 1HG LYS 34 HG2 LYS 34 -13.488 0.869 5.816 234 2HG LYS 34 HG1 LYS 34 -14.164 0.723 4.200 235 1HD LYS 34 HD2 LYS 34 -13.408 -1.653 4.163 236 2HD LYS 34 HD1 LYS 34 -12.902 -1.461 5.845 237 1HE LYS 34 HE2 LYS 34 -15.231 -0.855 6.432 238 2HE LYS 34 HE1 LYS 34 -15.700 -1.160 4.758 239 1HZ LYS 34 HZ1 LYS 34 -14.547 -3.160 6.627 240 2HZ LYS 34 HZ2 LYS 34 -15.000 -3.457 5.022 241 3HZ LYS 34 HZ3 LYS 34 -16.171 -3.048 6.170 242 H SER 35 HN SER 35 -9.589 1.645 2.856 243 HA SER 35 HA SER 35 -7.741 3.090 4.544 244 1HB SER 35 HB2 SER 35 -8.187 1.032 5.876 245 2HB SER 35 HB1 SER 35 -7.635 0.054 4.517 246 HG SER 35 HG SER 35 -5.914 0.331 5.900 247 H CYS 36 HN CYS 36 -5.458 2.708 3.822 248 HA CYS 36 HA CYS 36 -5.328 2.362 0.911 249 1HB CYS 36 HB2 CYS 36 -3.166 3.153 2.870 250 2HB CYS 36 HB1 CYS 36 -3.071 3.189 1.126 251 H LYS 37 HN LYS 37 -4.915 0.364 0.134 252 HA LYS 37 HA LYS 37 -3.576 -1.587 1.910 253 1HB LYS 37 HB2 LYS 37 -4.584 -3.296 0.602 254 2HB LYS 37 HB1 LYS 37 -5.838 -2.176 1.096 255 1HG LYS 37 HG2 LYS 37 -5.956 -1.196 -1.066 256 2HG LYS 37 HG1 LYS 37 -4.548 -2.087 -1.634 257 1HD LYS 37 HD2 LYS 37 -7.198 -3.277 -0.826 258 2HD LYS 37 HD1 LYS 37 -6.607 -3.067 -2.475 259 1HE LYS 37 HE2 LYS 37 -4.691 -4.549 -1.929 260 2HE LYS 37 HE1 LYS 37 -5.397 -4.824 -0.339 261 1HZ LYS 37 HZ1 LYS 37 -6.668 -5.514 -2.920 262 2HZ LYS 37 HZ2 LYS 37 -7.339 -5.773 -1.386 263 3HZ LYS 37 HZ3 LYS 37 -5.935 -6.596 -1.846 264 H CYS 38 HN CYS 38 -2.122 -3.133 0.864 265 HA CYS 38 HA CYS 38 -0.722 -2.015 -1.495 266 1HB CYS 38 HB2 CYS 38 0.648 -3.269 0.899 267 2HB CYS 38 HB1 CYS 38 1.406 -2.499 -0.492 268 H TYR 39 HN TYR 39 0.357 -3.587 -2.793 269 HA TYR 39 HA TYR 39 -0.963 -6.202 -2.730 270 1HB TYR 39 HB2 TYR 39 1.117 -5.255 -4.717 271 2HB TYR 39 HB1 TYR 39 -0.069 -6.537 -4.910 272 HD1 TYR 39 HD1 TYR 39 0.588 -2.990 -5.205 273 HD2 TYR 39 HD2 TYR 39 -2.476 -5.948 -5.252 274 HE1 TYR 39 HE1 TYR 39 -0.918 -1.405 -6.319 275 HE2 TYR 39 HE2 TYR 39 -3.990 -4.367 -6.366 276 HH TYR 39 HH TYR 39 -3.293 -1.988 -7.990 277 H GLY 40 HN GLY 40 1.040 -5.436 -0.661 278 1HA GLY 40 HA2 GLY 40 2.771 -6.496 0.426 279 2HA GLY 40 HA1 GLY 40 3.012 -7.548 -0.969 280 H CYS 41 HN CYS 41 3.501 -6.227 -3.018 281 HA CYS 41 HA CYS 41 4.844 -3.714 -2.633 282 1HB CYS 41 HB2 CYS 41 6.345 -6.120 -3.697 283 2HB CYS 41 HB1 CYS 41 6.879 -4.461 -3.933 Start of MODEL 13 1 1H TRP 1 HT1 TRP 1 1.896 1.806 11.376 2 2H TRP 1 HT2 TRP 1 2.832 0.538 12.033 3 3H TRP 1 HT3 TRP 1 3.169 1.139 10.471 4 HA TRP 1 HA TRP 1 3.273 2.814 12.849 5 1HB TRP 1 HB2 TRP 1 5.777 2.466 12.763 6 2HB TRP 1 HB1 TRP 1 4.844 1.089 13.324 7 HD1 TRP 1 HD1 TRP 1 4.365 -0.836 11.289 8 HE1 TRP 1 HE1 TRP 1 6.050 -1.728 9.565 9 HE3 TRP 1 HE3 TRP 1 7.795 2.943 11.492 10 HZ2 TRP 1 HZ2 TRP 1 8.525 -0.946 8.463 11 HZ3 TRP 1 HZ3 TRP 1 9.802 2.788 10.079 12 HH2 TRP 1 HH2 TRP 1 10.156 0.883 8.596 13 H CYS 2 HN CYS 2 2.086 3.789 10.747 14 HA CYS 2 HA CYS 2 3.996 5.142 8.995 15 1HB CYS 2 HB2 CYS 2 1.978 6.212 8.031 16 2HB CYS 2 HB1 CYS 2 1.889 4.455 8.010 17 H SER 3 HN SER 3 4.398 7.369 9.074 18 HA SER 3 HA SER 3 4.065 8.545 11.735 19 1HB SER 3 HB2 SER 3 5.611 9.599 9.355 20 2HB SER 3 HB1 SER 3 5.768 10.093 11.044 21 HG SER 3 HG SER 3 6.722 8.182 11.523 22 H THR 4 HN THR 4 1.732 8.315 10.090 23 HA THR 4 HA THR 4 0.767 11.001 10.152 24 HB THR 4 HB THR 4 1.893 11.044 7.969 25 HG1 THR 4 HG1 THR 4 -0.014 12.160 7.893 26 1HG2 THR 4 HG21 THR 4 1.564 9.506 6.243 27 2HG2 THR 4 HG22 THR 4 0.193 8.750 7.028 28 3HG2 THR 4 HG23 THR 4 1.813 8.509 7.667 29 H CYS 5 HN CYS 5 -1.243 9.827 7.994 30 HA CYS 5 HA CYS 5 -2.970 8.481 7.823 31 1HB CYS 5 HB2 CYS 5 -1.943 6.999 10.223 32 2HB CYS 5 HB1 CYS 5 -3.145 6.429 9.085 33 H LEU 6 HN LEU 6 -4.273 10.275 8.260 34 HA LEU 6 HA LEU 6 -5.603 10.284 10.886 35 1HB LEU 6 HB2 LEU 6 -5.784 12.095 8.477 36 2HB LEU 6 HB1 LEU 6 -6.983 12.141 9.751 37 HG LEU 6 HG LEU 6 -5.409 13.935 10.060 38 1HD1 LEU 6 HD11 LEU 6 -4.772 13.556 12.335 39 2HD1 LEU 6 HD12 LEU 6 -4.872 11.809 12.129 40 3HD1 LEU 6 HD13 LEU 6 -6.334 12.794 12.051 41 1HD2 LEU 6 HD21 LEU 6 -3.219 11.875 10.313 42 2HD2 LEU 6 HD22 LEU 6 -3.066 13.627 10.408 43 3HD2 LEU 6 HD23 LEU 6 -3.495 12.865 8.879 44 H ASP 7 HN ASP 7 -6.490 10.241 7.449 45 HA ASP 7 HA ASP 7 -8.013 7.833 7.727 46 1HB ASP 7 HB2 ASP 7 -9.666 9.475 8.616 47 2HB ASP 7 HB1 ASP 7 -9.576 10.367 7.101 48 H LEU 8 HN LEU 8 -6.628 7.160 6.096 49 HA LEU 8 HA LEU 8 -6.198 8.766 3.782 50 1HB LEU 8 HB2 LEU 8 -5.208 6.144 4.760 51 2HB LEU 8 HB1 LEU 8 -5.053 6.440 3.048 52 HG LEU 8 HG LEU 8 -3.001 6.994 4.161 53 1HD1 LEU 8 HD11 LEU 8 -2.654 9.188 3.291 54 2HD1 LEU 8 HD12 LEU 8 -4.376 9.545 3.326 55 3HD1 LEU 8 HD13 LEU 8 -3.748 8.335 2.207 56 1HD2 LEU 8 HD21 LEU 8 -3.908 7.491 6.370 57 2HD2 LEU 8 HD22 LEU 8 -4.596 8.997 5.757 58 3HD2 LEU 8 HD23 LEU 8 -2.843 8.777 5.796 59 H ALA 9 HN ALA 9 -8.955 7.735 4.237 60 HA ALA 9 HA ALA 9 -9.698 5.677 2.608 61 1HB ALA 9 HB1 ALA 9 -11.405 8.121 3.030 62 2HB ALA 9 HB2 ALA 9 -11.040 6.976 4.307 63 3HB ALA 9 HB3 ALA 9 -11.899 6.434 2.870 64 H CYS 10 HN CYS 10 -8.340 5.920 0.754 65 HA CYS 10 HA CYS 10 -7.710 6.564 -1.271 66 1HB CYS 10 HB2 CYS 10 -10.160 5.746 -1.674 67 2HB CYS 10 HB1 CYS 10 -10.535 7.448 -1.857 68 H THR 11 HN THR 11 -6.924 8.334 0.444 69 HA THR 11 HA THR 11 -7.849 11.007 -0.219 70 HB THR 11 HB THR 11 -5.262 10.300 1.227 71 HG1 THR 11 HG1 THR 11 -7.901 10.505 2.331 72 1HG2 THR 11 HG21 THR 11 -5.429 12.632 0.722 73 2HG2 THR 11 HG22 THR 11 -5.817 12.427 2.427 74 3HG2 THR 11 HG23 THR 11 -7.110 12.693 1.259 75 H GLY 12 HN GLY 12 -5.999 8.706 -1.729 76 1HA GLY 12 HA2 GLY 12 -5.402 9.740 -4.007 77 2HA GLY 12 HA1 GLY 12 -4.191 10.582 -3.047 78 H SER 13 HN SER 13 -4.341 8.194 -5.113 79 HA SER 13 HA SER 13 -3.168 5.996 -3.761 80 1HB SER 13 HB2 SER 13 -2.358 5.379 -6.101 81 2HB SER 13 HB1 SER 13 -4.095 5.590 -5.913 82 HG SER 13 HG SER 13 -2.243 7.222 -7.234 83 H LYS 14 HN LYS 14 -1.771 8.679 -5.640 84 HA LYS 14 HA LYS 14 0.937 8.069 -5.178 85 1HB LYS 14 HB2 LYS 14 1.396 10.415 -5.744 86 2HB LYS 14 HB1 LYS 14 0.297 9.657 -6.887 87 1HG LYS 14 HG2 LYS 14 -1.562 10.824 -6.077 88 2HG LYS 14 HG1 LYS 14 -0.732 11.334 -4.611 89 1HD LYS 14 HD2 LYS 14 0.754 12.750 -5.909 90 2HD LYS 14 HD1 LYS 14 -0.029 12.224 -7.402 91 1HE LYS 14 HE2 LYS 14 -2.072 13.270 -6.795 92 2HE LYS 14 HE1 LYS 14 -1.511 13.578 -5.152 93 1HZ LYS 14 HZ1 LYS 14 -0.411 14.819 -7.618 94 2HZ LYS 14 HZ2 LYS 14 0.135 15.109 -6.041 95 3HZ LYS 14 HZ3 LYS 14 -1.428 15.569 -6.492 96 H ASP 15 HN ASP 15 -1.467 9.673 -3.208 97 HA ASP 15 HA ASP 15 0.333 10.901 -1.402 98 1HB ASP 15 HB2 ASP 15 -2.167 11.407 -1.709 99 2HB ASP 15 HB1 ASP 15 -2.478 10.009 -0.683 100 H CYS 16 HN CYS 16 -1.454 7.834 -1.336 101 HA CYS 16 HA CYS 16 -0.399 7.148 1.250 102 1HB CYS 16 HB2 CYS 16 -2.673 6.514 0.444 103 2HB CYS 16 HB1 CYS 16 -1.919 5.392 -0.685 104 H TYR 17 HN TYR 17 0.664 6.644 -2.016 105 HA TYR 17 HA TYR 17 1.990 4.216 -1.809 106 1HB TYR 17 HB2 TYR 17 2.627 6.710 -3.379 107 2HB TYR 17 HB1 TYR 17 3.635 5.272 -3.510 108 HD1 TYR 17 HD1 TYR 17 2.313 6.435 -5.870 109 HD2 TYR 17 HD2 TYR 17 0.867 3.546 -3.083 110 HE1 TYR 17 HE1 TYR 17 0.807 5.515 -7.580 111 HE2 TYR 17 HE2 TYR 17 -0.617 2.666 -4.777 112 HH TYR 17 HH TYR 17 -0.388 2.820 -7.725 113 H ALA 18 HN ALA 18 3.127 7.387 -0.742 114 HA ALA 18 HA ALA 18 5.745 6.498 -0.107 115 1HB ALA 18 HB1 ALA 18 5.430 8.668 1.507 116 2HB ALA 18 HB2 ALA 18 4.189 8.958 0.289 117 3HB ALA 18 HB3 ALA 18 5.860 8.717 -0.199 118 HA PRO 19 HA PRO 19 4.165 6.138 4.533 119 1HB PRO 19 HB2 PRO 19 1.257 5.697 4.006 120 2HB PRO 19 HB1 PRO 19 2.058 6.545 5.334 121 1HG PRO 19 HG2 PRO 19 0.831 7.883 3.390 122 2HG PRO 19 HG1 PRO 19 2.343 8.479 4.102 123 1HD PRO 19 HD2 PRO 19 1.899 7.144 1.495 124 2HD PRO 19 HD1 PRO 19 2.988 8.437 1.917 125 H CYS 20 HN CYS 20 2.333 4.465 1.977 126 HA CYS 20 HA CYS 20 2.187 1.953 3.249 127 1HB CYS 20 HB2 CYS 20 0.759 2.431 1.380 128 2HB CYS 20 HB1 CYS 20 2.137 2.733 0.331 129 H ARG 21 HN ARG 21 4.570 3.321 1.000 130 HA ARG 21 HA ARG 21 6.159 0.979 0.818 131 1HB ARG 21 HB2 ARG 21 6.209 2.824 -0.811 132 2HB ARG 21 HB1 ARG 21 6.922 3.865 0.386 133 1HG ARG 21 HG2 ARG 21 8.360 1.336 -0.126 134 2HG ARG 21 HG1 ARG 21 8.310 2.463 -1.471 135 1HD ARG 21 HD2 ARG 21 9.285 3.077 1.316 136 2HD ARG 21 HD1 ARG 21 10.285 2.782 -0.105 137 HE ARG 21 HE ARG 21 8.427 4.915 -0.536 138 1HH1 ARG 21 HH11 ARG 21 11.559 4.133 0.844 139 2HH1 ARG 21 HH12 ARG 21 12.102 5.766 0.783 140 1HH2 ARG 21 HH21 ARG 21 9.147 7.040 -0.608 141 2HH2 ARG 21 HH22 ARG 21 10.737 7.429 -0.039 142 H LYS 22 HN LYS 22 6.240 3.803 2.976 143 HA LYS 22 HA LYS 22 8.635 3.091 4.344 144 1HB LYS 22 HB2 LYS 22 7.580 5.340 4.445 145 2HB LYS 22 HB1 LYS 22 6.250 4.657 5.373 146 1HG LYS 22 HG2 LYS 22 7.932 3.994 7.122 147 2HG LYS 22 HG1 LYS 22 9.144 4.880 6.192 148 1HD LYS 22 HD2 LYS 22 7.685 6.914 6.405 149 2HD LYS 22 HD1 LYS 22 6.650 5.981 7.490 150 1HE LYS 22 HE2 LYS 22 9.573 6.609 7.915 151 2HE LYS 22 HE1 LYS 22 8.217 7.378 8.735 152 1HZ LYS 22 HZ1 LYS 22 9.132 5.728 10.160 153 2HZ LYS 22 HZ2 LYS 22 9.061 4.543 8.961 154 3HZ LYS 22 HZ3 LYS 22 7.631 5.153 9.632 155 H GLN 23 HN GLN 23 5.273 2.193 4.646 156 HA GLN 23 HA GLN 23 5.460 0.958 7.201 157 1HB GLN 23 HB2 GLN 23 3.369 1.830 6.410 158 2HB GLN 23 HB1 GLN 23 3.419 0.816 4.984 159 1HG GLN 23 HG2 GLN 23 1.834 -0.041 6.554 160 2HG GLN 23 HG1 GLN 23 3.165 -1.176 6.389 161 1HE2 GLN 23 HE21 GLN 23 2.715 -2.125 8.374 162 2HE2 GLN 23 HE22 GLN 23 3.003 -1.315 9.863 163 H THR 24 HN THR 24 4.810 -0.556 4.018 164 HA THR 24 HA THR 24 5.814 -3.078 5.162 165 HB THR 24 HB THR 24 3.445 -3.042 4.464 166 HG1 THR 24 HG1 THR 24 3.555 -5.006 3.515 167 1HG2 THR 24 HG21 THR 24 4.449 -1.663 2.171 168 2HG2 THR 24 HG22 THR 24 2.789 -2.046 2.606 169 3HG2 THR 24 HG23 THR 24 3.724 -3.181 1.646 170 H GLY 25 HN GLY 25 7.017 -0.702 3.203 171 1HA GLY 25 HA2 GLY 25 9.042 -0.842 2.053 172 2HA GLY 25 HA1 GLY 25 8.874 -2.583 1.943 173 H CYS 26 HN CYS 26 6.150 -2.484 0.945 174 HA CYS 26 HA CYS 26 6.758 -2.134 -1.824 175 1HB CYS 26 HB2 CYS 26 5.518 -4.061 -1.076 176 2HB CYS 26 HB1 CYS 26 4.271 -3.068 -0.408 177 HA PRO 27 HA PRO 27 4.713 1.909 -1.815 178 1HB PRO 27 HB2 PRO 27 5.570 2.742 -4.204 179 2HB PRO 27 HB1 PRO 27 6.695 2.560 -2.861 180 1HG PRO 27 HG2 PRO 27 6.224 0.740 -5.176 181 2HG PRO 27 HG1 PRO 27 7.751 1.209 -4.409 182 1HD PRO 27 HD2 PRO 27 6.365 -1.153 -3.920 183 2HD PRO 27 HD1 PRO 27 7.597 -0.443 -2.857 184 H ASN 28 HN ASN 28 3.656 -0.804 -3.113 185 HA ASN 28 HA ASN 28 1.880 0.362 -5.096 186 1HB ASN 28 HB2 ASN 28 2.406 -2.557 -4.533 187 2HB ASN 28 HB1 ASN 28 1.471 -1.877 -5.824 188 1HD2 ASN 28 HD21 ASN 28 2.457 -0.861 -7.552 189 2HD2 ASN 28 HD22 ASN 28 4.142 -1.070 -7.870 190 H ALA 29 HN ALA 29 0.166 1.178 -4.064 191 HA ALA 29 HA ALA 29 -1.444 -0.599 -2.370 192 1HB ALA 29 HB1 ALA 29 -1.473 0.798 -0.626 193 2HB ALA 29 HB2 ALA 29 -1.597 2.238 -1.637 194 3HB ALA 29 HB3 ALA 29 -0.030 1.508 -1.338 195 H LYS 30 HN LYS 30 -3.704 -0.006 -2.255 196 HA LYS 30 HA LYS 30 -4.658 1.887 -4.266 197 1HB LYS 30 HB2 LYS 30 -5.437 -1.033 -4.184 198 2HB LYS 30 HB1 LYS 30 -6.431 0.182 -4.978 199 1HG LYS 30 HG2 LYS 30 -3.581 -0.473 -5.677 200 2HG LYS 30 HG1 LYS 30 -5.002 -1.053 -6.543 201 1HD LYS 30 HD2 LYS 30 -5.590 1.163 -7.222 202 2HD LYS 30 HD1 LYS 30 -4.352 1.882 -6.201 203 1HE LYS 30 HE2 LYS 30 -3.853 0.108 -8.581 204 2HE LYS 30 HE1 LYS 30 -3.668 1.860 -8.530 205 1HZ LYS 30 HZ1 LYS 30 -1.538 0.950 -8.239 206 2HZ LYS 30 HZ2 LYS 30 -2.061 -0.170 -7.095 207 3HZ LYS 30 HZ3 LYS 30 -2.002 1.474 -6.700 208 H CYS 31 HN CYS 31 -6.823 2.552 -3.953 209 HA CYS 31 HA CYS 31 -7.443 2.549 -1.080 210 1HB CYS 31 HB2 CYS 31 -8.625 4.583 -1.553 211 2HB CYS 31 HB1 CYS 31 -6.976 4.693 -2.113 212 H ILE 32 HN ILE 32 -8.791 0.861 -0.646 213 HA ILE 32 HA ILE 32 -11.418 0.924 -1.986 214 HB ILE 32 HB ILE 32 -11.412 -1.654 -1.701 215 1HG1 ILE 32 HG12 ILE 32 -9.016 -2.529 -2.225 216 2HG1 ILE 32 HG11 ILE 32 -8.448 -1.044 -1.494 217 1HG2 ILE 32 HG21 ILE 32 -10.517 -1.966 -3.935 218 2HG2 ILE 32 HG22 ILE 32 -9.762 -0.372 -3.866 219 3HG2 ILE 32 HG23 ILE 32 -11.519 -0.518 -3.837 220 1HD1 ILE 32 HD11 ILE 32 -8.744 -3.280 -0.149 221 2HD1 ILE 32 HD12 ILE 32 -10.396 -2.694 0.034 222 3HD1 ILE 32 HD13 ILE 32 -9.040 -1.713 0.595 223 H ASN 33 HN ASN 33 -13.173 0.520 -0.716 224 HA ASN 33 HA ASN 33 -14.407 0.529 1.187 225 1HB ASN 33 HB2 ASN 33 -12.286 -1.479 1.987 226 2HB ASN 33 HB1 ASN 33 -13.788 -1.228 2.871 227 1HD2 ASN 33 HD21 ASN 33 -12.708 -3.591 1.424 228 2HD2 ASN 33 HD22 ASN 33 -13.960 -4.025 0.316 229 H LYS 34 HN LYS 34 -12.748 2.697 1.052 230 HA LYS 34 HA LYS 34 -11.776 4.361 2.206 231 1HB LYS 34 HB2 LYS 34 -13.266 3.060 4.486 232 2HB LYS 34 HB1 LYS 34 -12.412 4.570 4.639 233 1HG LYS 34 HG2 LYS 34 -13.872 5.463 2.780 234 2HG LYS 34 HG1 LYS 34 -14.792 3.966 2.919 235 1HD LYS 34 HD2 LYS 34 -16.000 5.423 4.250 236 2HD LYS 34 HD1 LYS 34 -15.009 4.573 5.431 237 1HE LYS 34 HE2 LYS 34 -14.325 7.268 4.237 238 2HE LYS 34 HE1 LYS 34 -15.153 7.039 5.773 239 1HZ LYS 34 HZ1 LYS 34 -13.175 5.754 6.521 240 2HZ LYS 34 HZ2 LYS 34 -12.880 7.385 6.218 241 3HZ LYS 34 HZ3 LYS 34 -12.397 6.235 5.124 242 H SER 35 HN SER 35 -10.358 1.734 1.982 243 HA SER 35 HA SER 35 -8.398 2.191 4.120 244 1HB SER 35 HB2 SER 35 -9.185 -0.515 3.016 245 2HB SER 35 HB1 SER 35 -8.070 -0.174 4.343 246 HG SER 35 HG SER 35 -10.268 -0.796 4.952 247 H CYS 36 HN CYS 36 -6.430 2.565 3.375 248 HA CYS 36 HA CYS 36 -5.789 2.132 0.565 249 1HB CYS 36 HB2 CYS 36 -4.959 4.154 1.614 250 2HB CYS 36 HB1 CYS 36 -4.147 3.215 2.863 251 H LYS 37 HN LYS 37 -5.760 -0.072 0.276 252 HA LYS 37 HA LYS 37 -4.248 -1.712 2.154 253 1HB LYS 37 HB2 LYS 37 -6.471 -2.426 1.272 254 2HB LYS 37 HB1 LYS 37 -5.741 -2.589 -0.321 255 1HG LYS 37 HG2 LYS 37 -4.122 -4.229 0.686 256 2HG LYS 37 HG1 LYS 37 -5.040 -4.111 2.185 257 1HD LYS 37 HD2 LYS 37 -5.754 -6.061 1.011 258 2HD LYS 37 HD1 LYS 37 -7.058 -4.876 0.946 259 1HE LYS 37 HE2 LYS 37 -6.529 -4.317 -1.313 260 2HE LYS 37 HE1 LYS 37 -5.036 -5.257 -1.264 261 1HZ LYS 37 HZ1 LYS 37 -6.779 -6.431 -2.425 262 2HZ LYS 37 HZ2 LYS 37 -7.788 -6.360 -1.071 263 3HZ LYS 37 HZ3 LYS 37 -6.357 -7.265 -1.016 264 H CYS 38 HN CYS 38 -2.225 -2.275 1.848 265 HA CYS 38 HA CYS 38 -0.861 -1.699 -0.664 266 1HB CYS 38 HB2 CYS 38 0.136 -2.849 1.952 267 2HB CYS 38 HB1 CYS 38 1.151 -2.387 0.590 268 H TYR 39 HN TYR 39 0.378 -3.367 -1.775 269 HA TYR 39 HA TYR 39 -1.194 -5.766 -2.066 270 1HB TYR 39 HB2 TYR 39 1.386 -4.983 -3.381 271 2HB TYR 39 HB1 TYR 39 0.411 -6.349 -3.859 272 HD1 TYR 39 HD1 TYR 39 -1.919 -3.898 -3.068 273 HD2 TYR 39 HD2 TYR 39 1.057 -4.787 -5.994 274 HE1 TYR 39 HE1 TYR 39 -3.049 -2.434 -4.655 275 HE2 TYR 39 HE2 TYR 39 -0.083 -3.321 -7.591 276 HH TYR 39 HH TYR 39 -2.870 -2.475 -7.656 277 H GLY 40 HN GLY 40 1.158 -4.964 0.127 278 1HA GLY 40 HA2 GLY 40 2.299 -6.167 1.646 279 2HA GLY 40 HA1 GLY 40 1.418 -7.585 1.098 280 H CYS 41 HN CYS 41 3.626 -5.492 -0.701 281 HA CYS 41 HA CYS 41 5.071 -7.843 -1.653 282 1HB CYS 41 HB2 CYS 41 6.077 -5.182 -2.466 283 2HB CYS 41 HB1 CYS 41 5.649 -6.587 -3.394 Start of MODEL 14 1 1H TRP 1 HT1 TRP 1 2.596 1.127 14.148 2 2H TRP 1 HT2 TRP 1 4.224 1.218 13.605 3 3H TRP 1 HT3 TRP 1 3.227 -0.076 13.099 4 HA TRP 1 HA TRP 1 3.486 1.482 11.359 5 1HB TRP 1 HB2 TRP 1 0.749 1.495 12.660 6 2HB TRP 1 HB1 TRP 1 1.049 2.058 11.019 7 HD1 TRP 1 HD1 TRP 1 2.000 0.134 9.273 8 HE1 TRP 1 HE1 TRP 1 1.407 -2.362 9.133 9 HE3 TRP 1 HE3 TRP 1 0.098 -0.495 13.964 10 HZ2 TRP 1 HZ2 TRP 1 0.275 -4.339 10.795 11 HZ3 TRP 1 HZ3 TRP 1 -0.722 -2.722 14.612 12 HH2 TRP 1 HH2 TRP 1 -0.635 -4.603 13.062 13 H CYS 2 HN CYS 2 3.167 3.591 10.563 14 HA CYS 2 HA CYS 2 3.620 5.673 12.545 15 1HB CYS 2 HB2 CYS 2 4.390 7.030 10.748 16 2HB CYS 2 HB1 CYS 2 5.075 5.431 10.513 17 H SER 3 HN SER 3 2.456 7.674 12.498 18 HA SER 3 HA SER 3 -0.361 7.275 12.376 19 1HB SER 3 HB2 SER 3 1.159 9.878 12.699 20 2HB SER 3 HB1 SER 3 -0.508 9.550 13.180 21 HG SER 3 HG SER 3 1.041 9.410 14.915 22 H THR 4 HN THR 4 1.989 8.465 10.123 23 HA THR 4 HA THR 4 0.082 9.871 8.475 24 HB THR 4 HB THR 4 2.893 8.985 7.725 25 HG1 THR 4 HG1 THR 4 2.050 11.383 9.059 26 1HG2 THR 4 HG21 THR 4 2.786 11.003 6.292 27 2HG2 THR 4 HG22 THR 4 1.092 11.204 6.736 28 3HG2 THR 4 HG23 THR 4 1.608 9.776 5.837 29 H CYS 5 HN CYS 5 1.027 6.623 8.911 30 HA CYS 5 HA CYS 5 -0.076 5.864 6.308 31 1HB CYS 5 HB2 CYS 5 1.081 3.655 6.761 32 2HB CYS 5 HB1 CYS 5 2.097 5.004 6.382 33 H LEU 6 HN LEU 6 -1.573 6.618 8.716 34 HA LEU 6 HA LEU 6 -2.864 4.057 9.367 35 1HB LEU 6 HB2 LEU 6 -2.087 5.412 11.262 36 2HB LEU 6 HB1 LEU 6 -3.075 6.749 10.720 37 HG LEU 6 HG LEU 6 -5.106 5.346 11.079 38 1HD1 LEU 6 HD11 LEU 6 -4.128 3.146 10.819 39 2HD1 LEU 6 HD12 LEU 6 -4.883 3.287 12.401 40 3HD1 LEU 6 HD13 LEU 6 -3.128 3.393 12.250 41 1HD2 LEU 6 HD21 LEU 6 -4.337 6.910 12.788 42 2HD2 LEU 6 HD22 LEU 6 -3.321 5.649 13.490 43 3HD2 LEU 6 HD23 LEU 6 -5.077 5.480 13.505 44 H ASP 7 HN ASP 7 -3.976 7.445 9.049 45 HA ASP 7 HA ASP 7 -6.428 6.451 7.783 46 1HB ASP 7 HB2 ASP 7 -5.664 9.059 9.081 47 2HB ASP 7 HB1 ASP 7 -7.108 8.925 8.082 48 H LEU 8 HN LEU 8 -5.888 6.045 5.680 49 HA LEU 8 HA LEU 8 -5.247 8.441 4.059 50 1HB LEU 8 HB2 LEU 8 -4.321 5.596 3.594 51 2HB LEU 8 HB1 LEU 8 -4.228 6.852 2.382 52 HG LEU 8 HG LEU 8 -2.073 6.681 3.237 53 1HD1 LEU 8 HD11 LEU 8 -1.618 8.826 4.164 54 2HD1 LEU 8 HD12 LEU 8 -3.269 8.998 4.741 55 3HD1 LEU 8 HD13 LEU 8 -2.938 8.996 3.012 56 1HD2 LEU 8 HD21 LEU 8 -2.940 7.055 6.080 57 2HD2 LEU 8 HD22 LEU 8 -1.451 6.440 5.415 58 3HD2 LEU 8 HD23 LEU 8 -2.889 5.449 5.350 59 H ALA 9 HN ALA 9 -7.802 7.436 4.907 60 HA ALA 9 HA ALA 9 -9.092 5.695 3.249 61 1HB ALA 9 HB1 ALA 9 -10.302 8.156 4.505 62 2HB ALA 9 HB2 ALA 9 -10.036 6.610 5.308 63 3HB ALA 9 HB3 ALA 9 -11.175 6.719 3.966 64 H CYS 10 HN CYS 10 -8.247 6.043 1.180 65 HA CYS 10 HA CYS 10 -8.094 6.825 -0.929 66 1HB CYS 10 HB2 CYS 10 -10.991 7.390 -0.302 67 2HB CYS 10 HB1 CYS 10 -10.308 7.662 -1.908 68 H THR 11 HN THR 11 -6.814 8.348 0.655 69 HA THR 11 HA THR 11 -7.491 11.141 0.227 70 HB THR 11 HB THR 11 -5.069 11.450 1.088 71 HG1 THR 11 HG1 THR 11 -5.333 8.704 1.801 72 1HG2 THR 11 HG21 THR 11 -5.679 10.988 3.398 73 2HG2 THR 11 HG22 THR 11 -7.041 10.007 2.859 74 3HG2 THR 11 HG23 THR 11 -7.018 11.742 2.532 75 H GLY 12 HN GLY 12 -5.533 8.605 -1.174 76 1HA GLY 12 HA2 GLY 12 -5.517 9.323 -3.730 77 2HA GLY 12 HA1 GLY 12 -4.269 10.390 -3.095 78 H SER 13 HN SER 13 -4.508 7.719 -4.776 79 HA SER 13 HA SER 13 -2.990 5.747 -3.506 80 1HB SER 13 HB2 SER 13 -4.144 5.414 -5.653 81 2HB SER 13 HB1 SER 13 -3.029 6.529 -6.438 82 HG SER 13 HG SER 13 -2.544 4.230 -6.671 83 H LYS 14 HN LYS 14 -2.001 8.616 -5.301 84 HA LYS 14 HA LYS 14 0.767 8.241 -5.226 85 1HB LYS 14 HB2 LYS 14 0.912 10.675 -5.597 86 2HB LYS 14 HB1 LYS 14 -0.135 9.836 -6.728 87 1HG LYS 14 HG2 LYS 14 -2.108 10.559 -5.497 88 2HG LYS 14 HG1 LYS 14 -1.088 11.368 -4.309 89 1HD LYS 14 HD2 LYS 14 -1.204 12.026 -7.258 90 2HD LYS 14 HD1 LYS 14 -2.047 12.908 -5.984 91 1HE LYS 14 HE2 LYS 14 0.085 13.483 -4.951 92 2HE LYS 14 HE1 LYS 14 0.949 12.585 -6.196 93 1HZ LYS 14 HZ1 LYS 14 -0.747 14.968 -6.662 94 2HZ LYS 14 HZ2 LYS 14 0.078 14.093 -7.856 95 3HZ LYS 14 HZ3 LYS 14 0.944 14.926 -6.667 96 H ASP 15 HN ASP 15 -1.441 9.287 -2.795 97 HA ASP 15 HA ASP 15 0.685 10.250 -1.056 98 1HB ASP 15 HB2 ASP 15 -2.310 10.306 -0.969 99 2HB ASP 15 HB1 ASP 15 -1.420 10.428 0.546 100 H CYS 16 HN CYS 16 -1.023 7.365 -1.717 101 HA CYS 16 HA CYS 16 -0.604 6.187 0.886 102 1HB CYS 16 HB2 CYS 16 -1.480 4.980 -1.742 103 2HB CYS 16 HB1 CYS 16 -1.409 4.110 -0.212 104 H TYR 17 HN TYR 17 1.045 6.319 -2.206 105 HA TYR 17 HA TYR 17 2.655 4.143 -2.213 106 1HB TYR 17 HB2 TYR 17 3.426 6.976 -2.920 107 2HB TYR 17 HB1 TYR 17 4.385 5.569 -3.365 108 HD1 TYR 17 HD1 TYR 17 1.703 3.885 -3.928 109 HD2 TYR 17 HD2 TYR 17 3.254 7.621 -5.272 110 HE1 TYR 17 HE1 TYR 17 0.439 3.651 -5.992 111 HE2 TYR 17 HE2 TYR 17 1.970 7.392 -7.349 112 HH TYR 17 HH TYR 17 -0.488 5.717 -7.818 113 H ALA 18 HN ALA 18 3.750 7.204 -0.757 114 HA ALA 18 HA ALA 18 6.120 6.163 0.280 115 1HB ALA 18 HB1 ALA 18 5.729 8.242 1.951 116 2HB ALA 18 HB2 ALA 18 4.576 8.645 0.679 117 3HB ALA 18 HB3 ALA 18 6.270 8.394 0.283 118 HA PRO 19 HA PRO 19 3.788 5.638 4.630 119 1HB PRO 19 HB2 PRO 19 1.083 5.110 3.443 120 2HB PRO 19 HB1 PRO 19 1.527 5.863 4.955 121 1HG PRO 19 HG2 PRO 19 0.710 7.353 2.980 122 2HG PRO 19 HG1 PRO 19 2.054 7.883 4.010 123 1HD PRO 19 HD2 PRO 19 2.136 6.751 1.260 124 2HD PRO 19 HD1 PRO 19 3.094 8.025 1.982 125 H CYS 20 HN CYS 20 2.726 3.934 1.675 126 HA CYS 20 HA CYS 20 2.555 1.384 2.964 127 1HB CYS 20 HB2 CYS 20 2.663 2.213 0.064 128 2HB CYS 20 HB1 CYS 20 2.604 0.517 0.549 129 H ARG 21 HN ARG 21 5.119 3.131 1.290 130 HA ARG 21 HA ARG 21 7.011 1.001 1.267 131 1HB ARG 21 HB2 ARG 21 7.370 3.107 0.011 132 2HB ARG 21 HB1 ARG 21 7.519 3.981 1.528 133 1HG ARG 21 HG2 ARG 21 9.401 2.030 1.884 134 2HG ARG 21 HG1 ARG 21 9.430 2.229 0.137 135 1HD ARG 21 HD2 ARG 21 9.641 4.522 2.063 136 2HD ARG 21 HD1 ARG 21 11.037 3.640 1.453 137 HE ARG 21 HE ARG 21 9.744 4.382 -0.816 138 1HH1 ARG 21 HH11 ARG 21 10.797 6.173 2.026 139 2HH1 ARG 21 HH12 ARG 21 11.182 7.585 1.120 140 1HH2 ARG 21 HH21 ARG 21 10.285 6.262 -1.983 141 2HH2 ARG 21 HH22 ARG 21 10.899 7.648 -1.142 142 H LYS 22 HN LYS 22 6.095 3.486 3.602 143 HA LYS 22 HA LYS 22 7.981 2.885 5.564 144 1HB LYS 22 HB2 LYS 22 5.567 4.487 5.337 145 2HB LYS 22 HB1 LYS 22 5.627 3.722 6.909 146 1HG LYS 22 HG2 LYS 22 7.959 5.281 5.812 147 2HG LYS 22 HG1 LYS 22 6.614 6.048 6.651 148 1HD LYS 22 HD2 LYS 22 8.290 5.672 8.280 149 2HD LYS 22 HD1 LYS 22 7.030 4.478 8.580 150 1HE LYS 22 HE2 LYS 22 8.416 2.837 7.310 151 2HE LYS 22 HE1 LYS 22 9.678 4.038 7.203 152 1HZ LYS 22 HZ1 LYS 22 8.534 2.866 9.679 153 2HZ LYS 22 HZ2 LYS 22 9.768 4.024 9.619 154 3HZ LYS 22 HZ3 LYS 22 10.030 2.476 8.992 155 H GLN 23 HN GLN 23 4.703 1.650 5.045 156 HA GLN 23 HA GLN 23 4.594 0.032 7.355 157 1HB GLN 23 HB2 GLN 23 3.144 -0.149 4.717 158 2HB GLN 23 HB1 GLN 23 2.792 -1.208 6.078 159 1HG GLN 23 HG2 GLN 23 2.250 0.802 7.420 160 2HG GLN 23 HG1 GLN 23 2.465 1.777 5.983 161 1HE2 GLN 23 HE21 GLN 23 0.293 2.443 6.001 162 2HE2 GLN 23 HE22 GLN 23 -0.979 1.385 5.575 163 H THR 24 HN THR 24 5.110 -0.989 3.962 164 HA THR 24 HA THR 24 6.177 -3.525 5.047 165 HB THR 24 HB THR 24 5.259 -4.506 2.965 166 HG1 THR 24 HG1 THR 24 4.069 -3.285 1.574 167 1HG2 THR 24 HG21 THR 24 3.266 -3.069 4.655 168 2HG2 THR 24 HG22 THR 24 3.998 -4.635 5.009 169 3HG2 THR 24 HG23 THR 24 2.935 -4.454 3.615 170 H GLY 25 HN GLY 25 7.080 -0.856 3.077 171 1HA GLY 25 HA2 GLY 25 9.355 -0.650 2.370 172 2HA GLY 25 HA1 GLY 25 9.430 -2.384 2.119 173 H CYS 26 HN CYS 26 6.727 -2.371 0.848 174 HA CYS 26 HA CYS 26 7.623 -1.572 -1.794 175 1HB CYS 26 HB2 CYS 26 5.357 -3.314 -0.899 176 2HB CYS 26 HB1 CYS 26 5.641 -2.891 -2.566 177 HA PRO 27 HA PRO 27 5.062 2.011 -1.312 178 1HB PRO 27 HB2 PRO 27 5.899 3.361 -3.445 179 2HB PRO 27 HB1 PRO 27 7.014 2.934 -2.146 180 1HG PRO 27 HG2 PRO 27 6.640 1.622 -4.804 181 2HG PRO 27 HG1 PRO 27 8.142 2.007 -3.945 182 1HD PRO 27 HD2 PRO 27 6.885 -0.477 -3.954 183 2HD PRO 27 HD1 PRO 27 8.083 0.079 -2.767 184 H ASN 28 HN ASN 28 3.981 -0.434 -3.103 185 HA ASN 28 HA ASN 28 2.257 1.160 -4.871 186 1HB ASN 28 HB2 ASN 28 2.889 -1.774 -4.688 187 2HB ASN 28 HB1 ASN 28 1.467 -1.215 -5.564 188 1HD2 ASN 28 HD21 ASN 28 1.736 0.037 -7.429 189 2HD2 ASN 28 HD22 ASN 28 3.240 0.053 -8.278 190 H ALA 29 HN ALA 29 0.069 1.308 -4.642 191 HA ALA 29 HA ALA 29 -1.347 -0.212 -2.620 192 1HB ALA 29 HB1 ALA 29 -1.539 1.310 -0.993 193 2HB ALA 29 HB2 ALA 29 -1.566 2.687 -2.093 194 3HB ALA 29 HB3 ALA 29 -0.038 1.937 -1.667 195 H LYS 30 HN LYS 30 -3.523 -0.169 -2.859 196 HA LYS 30 HA LYS 30 -4.720 1.783 -4.730 197 1HB LYS 30 HB2 LYS 30 -5.464 -1.145 -4.515 198 2HB LYS 30 HB1 LYS 30 -6.298 0.063 -5.490 199 1HG LYS 30 HG2 LYS 30 -4.067 0.374 -6.702 200 2HG LYS 30 HG1 LYS 30 -3.564 -1.100 -5.882 201 1HD LYS 30 HD2 LYS 30 -5.911 -0.792 -7.752 202 2HD LYS 30 HD1 LYS 30 -4.392 -1.614 -8.108 203 1HE LYS 30 HE2 LYS 30 -4.874 -3.265 -6.371 204 2HE LYS 30 HE1 LYS 30 -6.388 -2.445 -5.994 205 1HZ LYS 30 HZ1 LYS 30 -6.758 -4.336 -7.414 206 2HZ LYS 30 HZ2 LYS 30 -5.720 -3.708 -8.592 207 3HZ LYS 30 HZ3 LYS 30 -7.168 -2.910 -8.225 208 H CYS 31 HN CYS 31 -6.833 2.453 -4.112 209 HA CYS 31 HA CYS 31 -7.191 2.090 -1.241 210 1HB CYS 31 HB2 CYS 31 -6.923 4.368 -2.125 211 2HB CYS 31 HB1 CYS 31 -8.424 4.177 -3.029 212 H ILE 32 HN ILE 32 -8.846 1.161 -0.315 213 HA ILE 32 HA ILE 32 -11.186 0.360 -1.932 214 HB ILE 32 HB ILE 32 -10.017 -0.708 0.651 215 1HG1 ILE 32 HG12 ILE 32 -10.295 -2.900 -0.575 216 2HG1 ILE 32 HG11 ILE 32 -10.770 -1.974 -1.996 217 1HG2 ILE 32 HG21 ILE 32 -12.796 -1.186 -0.401 218 2HG2 ILE 32 HG22 ILE 32 -12.332 -0.511 1.156 219 3HG2 ILE 32 HG23 ILE 32 -12.010 -2.198 0.810 220 1HD1 ILE 32 HD11 ILE 32 -8.154 -1.497 -0.626 221 2HD1 ILE 32 HD12 ILE 32 -8.635 -1.108 -2.274 222 3HD1 ILE 32 HD13 ILE 32 -8.366 -2.786 -1.807 223 H ASN 33 HN ASN 33 -13.245 0.843 -1.074 224 HA ASN 33 HA ASN 33 -13.553 3.485 -0.222 225 1HB ASN 33 HB2 ASN 33 -15.997 2.879 -0.016 226 2HB ASN 33 HB1 ASN 33 -15.237 2.468 -1.547 227 1HD2 ASN 33 HD21 ASN 33 -16.865 0.933 -1.955 228 2HD2 ASN 33 HD22 ASN 33 -16.866 -0.595 -1.149 229 H LYS 34 HN LYS 34 -12.023 2.821 1.786 230 HA LYS 34 HA LYS 34 -13.244 3.614 4.084 231 1HB LYS 34 HB2 LYS 34 -13.255 1.531 5.471 232 2HB LYS 34 HB1 LYS 34 -14.485 1.594 4.230 233 1HG LYS 34 HG2 LYS 34 -13.199 0.096 2.827 234 2HG LYS 34 HG1 LYS 34 -11.888 0.077 4.004 235 1HD LYS 34 HD2 LYS 34 -13.331 -1.927 4.137 236 2HD LYS 34 HD1 LYS 34 -13.323 -0.991 5.631 237 1HE LYS 34 HE2 LYS 34 -15.563 -1.739 5.078 238 2HE LYS 34 HE1 LYS 34 -15.483 0.010 5.015 239 1HZ LYS 34 HZ1 LYS 34 -15.379 -0.094 2.623 240 2HZ LYS 34 HZ2 LYS 34 -16.709 -0.987 3.155 241 3HZ LYS 34 HZ3 LYS 34 -15.308 -1.786 2.649 242 H SER 35 HN SER 35 -10.679 1.812 2.548 243 HA SER 35 HA SER 35 -8.705 3.118 4.209 244 1HB SER 35 HB2 SER 35 -9.005 0.096 4.245 245 2HB SER 35 HB1 SER 35 -7.652 0.993 4.938 246 HG SER 35 HG SER 35 -9.136 0.539 6.547 247 H CYS 36 HN CYS 36 -6.789 3.331 3.156 248 HA CYS 36 HA CYS 36 -6.628 2.389 0.420 249 1HB CYS 36 HB2 CYS 36 -5.806 4.658 1.259 250 2HB CYS 36 HB1 CYS 36 -4.437 3.801 1.950 251 H LYS 37 HN LYS 37 -5.770 0.482 -0.107 252 HA LYS 37 HA LYS 37 -4.406 -1.022 2.020 253 1HB LYS 37 HB2 LYS 37 -6.638 -1.633 0.763 254 2HB LYS 37 HB1 LYS 37 -5.566 -2.279 -0.452 255 1HG LYS 37 HG2 LYS 37 -5.415 -3.029 2.472 256 2HG LYS 37 HG1 LYS 37 -6.475 -3.855 1.333 257 1HD LYS 37 HD2 LYS 37 -3.479 -3.639 1.087 258 2HD LYS 37 HD1 LYS 37 -4.351 -5.041 1.679 259 1HE LYS 37 HE2 LYS 37 -5.506 -5.227 -0.489 260 2HE LYS 37 HE1 LYS 37 -4.565 -3.867 -1.093 261 1HZ LYS 37 HZ1 LYS 37 -2.555 -5.132 -0.776 262 2HZ LYS 37 HZ2 LYS 37 -3.630 -5.973 -1.769 263 3HZ LYS 37 HZ3 LYS 37 -3.434 -6.439 -0.156 264 H CYS 38 HN CYS 38 -2.330 -1.530 1.825 265 HA CYS 38 HA CYS 38 -0.853 -0.714 -0.510 266 1HB CYS 38 HB2 CYS 38 0.099 -2.231 1.935 267 2HB CYS 38 HB1 CYS 38 1.109 -1.398 0.755 268 H TYR 39 HN TYR 39 0.588 -2.129 -1.686 269 HA TYR 39 HA TYR 39 -0.931 -4.325 -2.677 270 1HB TYR 39 HB2 TYR 39 1.089 -2.603 -3.629 271 2HB TYR 39 HB1 TYR 39 1.753 -4.210 -3.780 272 HD1 TYR 39 HD1 TYR 39 1.047 -5.632 -5.527 273 HD2 TYR 39 HD2 TYR 39 -1.159 -2.089 -4.678 274 HE1 TYR 39 HE1 TYR 39 -0.251 -5.951 -7.585 275 HE2 TYR 39 HE2 TYR 39 -2.452 -2.409 -6.742 276 HH TYR 39 HH TYR 39 -1.711 -3.954 -9.175 277 H GLY 40 HN GLY 40 0.706 -4.499 0.046 278 1HA GLY 40 HA2 GLY 40 1.394 -6.300 1.235 279 2HA GLY 40 HA1 GLY 40 1.202 -7.304 -0.194 280 H CYS 41 HN CYS 41 3.400 -6.815 1.905 281 HA CYS 41 HA CYS 41 5.580 -7.310 0.144 282 1HB CYS 41 HB2 CYS 41 5.182 -4.753 0.070 283 2HB CYS 41 HB1 CYS 41 5.844 -4.725 1.644 Start of MODEL 15 1 1H TRP 1 HT1 TRP 1 1.053 -0.867 10.044 2 2H TRP 1 HT2 TRP 1 -0.155 -0.181 11.054 3 3H TRP 1 HT3 TRP 1 0.173 -1.853 11.132 4 HA TRP 1 HA TRP 1 1.068 -0.487 12.954 5 1HB TRP 1 HB2 TRP 1 3.238 -1.671 12.974 6 2HB TRP 1 HB1 TRP 1 1.915 -2.724 12.494 7 HD1 TRP 1 HD1 TRP 1 5.036 -1.008 11.062 8 HE1 TRP 1 HE1 TRP 1 5.681 -2.187 8.870 9 HE3 TRP 1 HE3 TRP 1 0.983 -4.093 10.572 10 HZ2 TRP 1 HZ2 TRP 1 4.618 -4.162 7.159 11 HZ3 TRP 1 HZ3 TRP 1 0.879 -5.596 8.627 12 HH2 TRP 1 HH2 TRP 1 2.659 -5.627 6.957 13 H CYS 2 HN CYS 2 0.890 1.390 10.662 14 HA CYS 2 HA CYS 2 3.561 2.529 10.479 15 1HB CYS 2 HB2 CYS 2 2.157 2.400 8.485 16 2HB CYS 2 HB1 CYS 2 0.943 3.388 9.253 17 H SER 3 HN SER 3 4.191 3.689 12.195 18 HA SER 3 HA SER 3 2.366 4.922 14.004 19 1HB SER 3 HB2 SER 3 5.359 5.298 13.766 20 2HB SER 3 HB1 SER 3 4.357 5.681 15.171 21 HG SER 3 HG SER 3 4.034 3.546 15.534 22 H THR 4 HN THR 4 3.879 6.034 11.097 23 HA THR 4 HA THR 4 3.321 8.840 11.786 24 HB THR 4 HB THR 4 5.549 8.406 10.835 25 HG1 THR 4 HG1 THR 4 4.784 10.406 10.306 26 1HG2 THR 4 HG21 THR 4 5.791 7.715 8.506 27 2HG2 THR 4 HG22 THR 4 4.061 7.423 8.396 28 3HG2 THR 4 HG23 THR 4 5.055 6.447 9.475 29 H CYS 5 HN CYS 5 1.460 6.461 10.880 30 HA CYS 5 HA CYS 5 0.088 7.969 8.749 31 1HB CYS 5 HB2 CYS 5 0.016 5.017 9.348 32 2HB CYS 5 HB1 CYS 5 -0.905 5.821 8.095 33 H LEU 6 HN LEU 6 -1.353 9.201 9.827 34 HA LEU 6 HA LEU 6 -2.815 8.155 12.115 35 1HB LEU 6 HB2 LEU 6 -1.974 10.560 11.731 36 2HB LEU 6 HB1 LEU 6 -3.347 10.763 10.669 37 HG LEU 6 HG LEU 6 -3.579 9.971 13.581 38 1HD1 LEU 6 HD11 LEU 6 -2.554 12.180 13.363 39 2HD1 LEU 6 HD12 LEU 6 -4.192 12.294 14.000 40 3HD1 LEU 6 HD13 LEU 6 -3.874 12.695 12.311 41 1HD2 LEU 6 HD21 LEU 6 -5.929 10.838 13.238 42 2HD2 LEU 6 HD22 LEU 6 -5.550 9.332 12.421 43 3HD2 LEU 6 HD23 LEU 6 -5.593 10.839 11.506 44 H ASP 7 HN ASP 7 -3.760 9.557 8.964 45 HA ASP 7 HA ASP 7 -5.717 7.416 8.611 46 1HB ASP 7 HB2 ASP 7 -6.985 9.216 9.748 47 2HB ASP 7 HB1 ASP 7 -6.527 10.340 8.472 48 H LEU 8 HN LEU 8 -5.776 6.785 6.537 49 HA LEU 8 HA LEU 8 -4.745 8.648 4.479 50 1HB LEU 8 HB2 LEU 8 -4.112 5.707 4.709 51 2HB LEU 8 HB1 LEU 8 -3.597 6.767 3.405 52 HG LEU 8 HG LEU 8 -2.755 7.091 6.292 53 1HD1 LEU 8 HD11 LEU 8 -1.299 5.841 3.963 54 2HD1 LEU 8 HD12 LEU 8 -1.880 5.012 5.408 55 3HD1 LEU 8 HD13 LEU 8 -0.594 6.203 5.530 56 1HD2 LEU 8 HD21 LEU 8 -1.070 8.603 5.363 57 2HD2 LEU 8 HD22 LEU 8 -2.698 9.165 4.998 58 3HD2 LEU 8 HD23 LEU 8 -1.743 8.370 3.748 59 H ALA 9 HN ALA 9 -7.418 7.639 5.443 60 HA ALA 9 HA ALA 9 -8.490 5.721 3.793 61 1HB ALA 9 HB1 ALA 9 -9.917 8.055 5.057 62 2HB ALA 9 HB2 ALA 9 -9.519 6.530 5.847 63 3HB ALA 9 HB3 ALA 9 -10.659 6.552 4.503 64 H CYS 10 HN CYS 10 -7.645 6.176 1.722 65 HA CYS 10 HA CYS 10 -7.621 6.942 -0.393 66 1HB CYS 10 HB2 CYS 10 -10.502 7.446 0.345 67 2HB CYS 10 HB1 CYS 10 -9.887 7.864 -1.252 68 H THR 11 HN THR 11 -6.351 8.469 1.279 69 HA THR 11 HA THR 11 -7.088 11.257 0.950 70 HB THR 11 HB THR 11 -5.856 10.565 2.975 71 HG1 THR 11 HG1 THR 11 -5.397 12.656 2.422 72 1HG2 THR 11 HG21 THR 11 -4.560 8.724 2.255 73 2HG2 THR 11 HG22 THR 11 -3.426 9.974 2.723 74 3HG2 THR 11 HG23 THR 11 -3.737 9.667 1.025 75 H GLY 12 HN GLY 12 -5.881 8.886 -1.005 76 1HA GLY 12 HA2 GLY 12 -5.543 9.790 -3.329 77 2HA GLY 12 HA1 GLY 12 -4.196 10.673 -2.615 78 H SER 13 HN SER 13 -4.447 8.341 -4.609 79 HA SER 13 HA SER 13 -3.312 6.078 -3.334 80 1HB SER 13 HB2 SER 13 -2.598 5.534 -5.780 81 2HB SER 13 HB1 SER 13 -4.315 5.629 -5.390 82 HG SER 13 HG SER 13 -2.714 7.490 -6.768 83 H LYS 14 HN LYS 14 -1.850 8.760 -5.165 84 HA LYS 14 HA LYS 14 0.814 7.878 -4.708 85 1HB LYS 14 HB2 LYS 14 1.512 10.028 -5.601 86 2HB LYS 14 HB1 LYS 14 0.292 9.276 -6.621 87 1HG LYS 14 HG2 LYS 14 -1.422 10.725 -5.676 88 2HG LYS 14 HG1 LYS 14 -0.225 11.462 -4.609 89 1HD LYS 14 HD2 LYS 14 1.033 12.222 -6.589 90 2HD LYS 14 HD1 LYS 14 -0.216 11.527 -7.627 91 1HE LYS 14 HE2 LYS 14 -1.864 13.042 -6.704 92 2HE LYS 14 HE1 LYS 14 -0.675 13.692 -5.573 93 1HZ LYS 14 HZ1 LYS 14 -0.527 13.878 -8.535 94 2HZ LYS 14 HZ2 LYS 14 0.617 14.497 -7.449 95 3HZ LYS 14 HZ3 LYS 14 -0.950 15.129 -7.479 96 H ASP 15 HN ASP 15 -1.472 9.664 -2.878 97 HA ASP 15 HA ASP 15 0.440 10.894 -1.111 98 1HB ASP 15 HB2 ASP 15 -1.971 11.675 -1.565 99 2HB ASP 15 HB1 ASP 15 -2.485 10.382 -0.495 100 H CYS 16 HN CYS 16 -1.296 7.886 -1.345 101 HA CYS 16 HA CYS 16 -0.687 7.109 1.388 102 1HB CYS 16 HB2 CYS 16 -2.872 6.621 0.213 103 2HB CYS 16 HB1 CYS 16 -2.005 5.468 -0.792 104 H TYR 17 HN TYR 17 0.656 6.710 -1.794 105 HA TYR 17 HA TYR 17 2.004 4.300 -1.590 106 1HB TYR 17 HB2 TYR 17 2.727 6.884 -2.961 107 2HB TYR 17 HB1 TYR 17 3.777 5.476 -3.078 108 HD1 TYR 17 HD1 TYR 17 1.332 3.479 -3.125 109 HD2 TYR 17 HD2 TYR 17 2.384 6.945 -5.361 110 HE1 TYR 17 HE1 TYR 17 0.049 2.636 -5.029 111 HE2 TYR 17 HE2 TYR 17 1.084 6.104 -7.262 112 HH TYR 17 HH TYR 17 0.356 3.352 -7.914 113 H ALA 18 HN ALA 18 3.342 7.483 -0.736 114 HA ALA 18 HA ALA 18 5.800 6.558 0.143 115 1HB ALA 18 HB1 ALA 18 5.509 8.759 1.703 116 2HB ALA 18 HB2 ALA 18 4.266 9.044 0.484 117 3HB ALA 18 HB3 ALA 18 5.933 8.777 -0.004 118 HA PRO 19 HA PRO 19 4.019 6.340 4.753 119 1HB PRO 19 HB2 PRO 19 1.172 5.776 4.002 120 2HB PRO 19 HB1 PRO 19 1.846 6.647 5.366 121 1HG PRO 19 HG2 PRO 19 0.750 7.976 3.388 122 2HG PRO 19 HG1 PRO 19 2.214 8.575 4.194 123 1HD PRO 19 HD2 PRO 19 1.940 7.229 1.557 124 2HD PRO 19 HD1 PRO 19 2.986 8.544 2.047 125 H CYS 20 HN CYS 20 2.317 4.475 2.217 126 HA CYS 20 HA CYS 20 2.326 2.012 3.598 127 1HB CYS 20 HB2 CYS 20 0.884 2.380 1.680 128 2HB CYS 20 HB1 CYS 20 2.278 2.592 0.632 129 H ARG 21 HN ARG 21 4.650 3.478 1.346 130 HA ARG 21 HA ARG 21 6.386 1.247 1.186 131 1HB ARG 21 HB2 ARG 21 6.369 3.290 -0.329 132 2HB ARG 21 HB1 ARG 21 7.216 4.153 0.951 133 1HG ARG 21 HG2 ARG 21 8.982 2.329 0.819 134 2HG ARG 21 HG1 ARG 21 8.160 1.775 -0.642 135 1HD ARG 21 HD2 ARG 21 9.934 3.185 -1.332 136 2HD ARG 21 HD1 ARG 21 8.439 4.095 -1.559 137 HE ARG 21 HE ARG 21 9.691 4.575 0.991 138 1HH1 ARG 21 HH11 ARG 21 9.711 5.524 -2.402 139 2HH1 ARG 21 HH12 ARG 21 10.396 7.069 -2.068 140 1HH2 ARG 21 HH21 ARG 21 10.613 6.613 1.386 141 2HH2 ARG 21 HH22 ARG 21 10.913 7.691 0.064 142 H LYS 22 HN LYS 22 6.175 4.002 3.400 143 HA LYS 22 HA LYS 22 8.554 3.452 4.844 144 1HB LYS 22 HB2 LYS 22 7.432 5.615 5.002 145 2HB LYS 22 HB1 LYS 22 6.008 4.853 5.689 146 1HG LYS 22 HG2 LYS 22 7.235 5.912 7.439 147 2HG LYS 22 HG1 LYS 22 7.356 4.171 7.654 148 1HD LYS 22 HD2 LYS 22 9.592 4.303 6.466 149 2HD LYS 22 HD1 LYS 22 9.432 6.058 6.545 150 1HE LYS 22 HE2 LYS 22 10.793 5.331 8.368 151 2HE LYS 22 HE1 LYS 22 9.245 5.858 9.024 152 1HZ LYS 22 HZ1 LYS 22 10.104 3.760 9.979 153 2HZ LYS 22 HZ2 LYS 22 9.934 3.016 8.471 154 3HZ LYS 22 HZ3 LYS 22 8.571 3.599 9.289 155 H GLN 23 HN GLN 23 5.219 2.340 5.121 156 HA GLN 23 HA GLN 23 5.559 1.089 7.652 157 1HB GLN 23 HB2 GLN 23 3.388 1.862 6.891 158 2HB GLN 23 HB1 GLN 23 3.448 0.742 5.540 159 1HG GLN 23 HG2 GLN 23 3.409 -1.149 7.091 160 2HG GLN 23 HG1 GLN 23 3.377 -0.030 8.449 161 1HE2 GLN 23 HE21 GLN 23 1.569 0.534 5.472 162 2HE2 GLN 23 HE22 GLN 23 0.037 0.275 6.191 163 H THR 24 HN THR 24 5.230 -0.319 4.360 164 HA THR 24 HA THR 24 6.374 -2.814 5.476 165 HB THR 24 HB THR 24 3.949 -3.005 5.072 166 HG1 THR 24 HG1 THR 24 4.124 -4.948 4.094 167 1HG2 THR 24 HG21 THR 24 4.491 -1.500 2.738 168 2HG2 THR 24 HG22 THR 24 2.954 -2.135 3.302 169 3HG2 THR 24 HG23 THR 24 3.952 -3.091 2.214 170 H GLY 25 HN GLY 25 7.345 -0.397 3.599 171 1HA GLY 25 HA2 GLY 25 9.176 -0.347 2.205 172 2HA GLY 25 HA1 GLY 25 9.193 -2.098 2.184 173 H CYS 26 HN CYS 26 6.188 -1.816 1.381 174 HA CYS 26 HA CYS 26 6.734 -2.060 -1.406 175 1HB CYS 26 HB2 CYS 26 5.260 -3.598 -0.227 176 2HB CYS 26 HB1 CYS 26 4.156 -2.315 0.127 177 HA PRO 27 HA PRO 27 5.326 2.173 -2.128 178 1HB PRO 27 HB2 PRO 27 6.201 2.400 -4.651 179 2HB PRO 27 HB1 PRO 27 7.319 2.353 -3.286 180 1HG PRO 27 HG2 PRO 27 6.604 0.187 -5.209 181 2HG PRO 27 HG1 PRO 27 8.180 0.595 -4.510 182 1HD PRO 27 HD2 PRO 27 6.500 -1.415 -3.618 183 2HD PRO 27 HD1 PRO 27 7.816 -0.700 -2.682 184 H ASN 28 HN ASN 28 3.796 -0.537 -2.868 185 HA ASN 28 HA ASN 28 1.975 0.680 -4.804 186 1HB ASN 28 HB2 ASN 28 2.766 -2.180 -4.376 187 2HB ASN 28 HB1 ASN 28 1.227 -1.782 -5.080 188 1HD2 ASN 28 HD21 ASN 28 1.112 -0.858 -7.113 189 2HD2 ASN 28 HD22 ASN 28 2.480 -0.853 -8.168 190 H ALA 29 HN ALA 29 0.564 1.665 -3.531 191 HA ALA 29 HA ALA 29 -1.012 0.055 -1.672 192 1HB ALA 29 HB1 ALA 29 -1.050 1.667 -0.091 193 2HB ALA 29 HB2 ALA 29 -0.886 2.992 -1.245 194 3HB ALA 29 HB3 ALA 29 0.519 2.041 -0.789 195 H LYS 30 HN LYS 30 -3.077 -0.118 -2.283 196 HA LYS 30 HA LYS 30 -4.143 1.949 -4.117 197 1HB LYS 30 HB2 LYS 30 -3.667 -0.255 -5.179 198 2HB LYS 30 HB1 LYS 30 -4.830 -0.988 -4.083 199 1HG LYS 30 HG2 LYS 30 -6.635 0.260 -5.045 200 2HG LYS 30 HG1 LYS 30 -5.516 1.235 -6.001 201 1HD LYS 30 HD2 LYS 30 -6.508 -0.431 -7.420 202 2HD LYS 30 HD1 LYS 30 -4.801 -0.815 -7.197 203 1HE LYS 30 HE2 LYS 30 -5.571 -2.393 -5.330 204 2HE LYS 30 HE1 LYS 30 -7.198 -2.135 -5.952 205 1HZ LYS 30 HZ1 LYS 30 -6.481 -2.994 -8.079 206 2HZ LYS 30 HZ2 LYS 30 -6.162 -4.115 -6.854 207 3HZ LYS 30 HZ3 LYS 30 -4.900 -3.196 -7.503 208 H CYS 31 HN CYS 31 -5.735 3.081 -3.228 209 HA CYS 31 HA CYS 31 -7.023 2.105 -0.839 210 1HB CYS 31 HB2 CYS 31 -6.365 4.502 -1.153 211 2HB CYS 31 HB1 CYS 31 -7.663 4.649 -2.333 212 H ILE 32 HN ILE 32 -8.501 0.594 -1.112 213 HA ILE 32 HA ILE 32 -10.646 1.108 -3.072 214 HB ILE 32 HB ILE 32 -10.940 -1.490 -2.963 215 1HG1 ILE 32 HG12 ILE 32 -8.632 -2.594 -2.932 216 2HG1 ILE 32 HG11 ILE 32 -8.040 -1.169 -2.109 217 1HG2 ILE 32 HG21 ILE 32 -9.539 -1.744 -4.934 218 2HG2 ILE 32 HG22 ILE 32 -8.725 -0.224 -4.561 219 3HG2 ILE 32 HG23 ILE 32 -10.440 -0.229 -4.971 220 1HD1 ILE 32 HD11 ILE 32 -8.777 -3.289 -0.803 221 2HD1 ILE 32 HD12 ILE 32 -10.401 -2.633 -1.004 222 3HD1 ILE 32 HD13 ILE 32 -9.161 -1.692 -0.172 223 H ASN 33 HN ASN 33 -12.721 0.780 -2.397 224 HA ASN 33 HA ASN 33 -14.446 0.793 -0.932 225 1HB ASN 33 HB2 ASN 33 -12.691 -1.094 0.664 226 2HB ASN 33 HB1 ASN 33 -14.410 -0.835 0.920 227 1HD2 ASN 33 HD21 ASN 33 -15.891 -1.672 -0.571 228 2HD2 ASN 33 HD22 ASN 33 -15.425 -2.884 -1.709 229 H LYS 34 HN LYS 34 -12.246 2.735 -0.699 230 HA LYS 34 HA LYS 34 -11.738 4.523 0.526 231 1HB LYS 34 HB2 LYS 34 -13.841 3.550 2.414 232 2HB LYS 34 HB1 LYS 34 -13.010 5.080 2.571 233 1HG LYS 34 HG2 LYS 34 -13.873 5.771 0.379 234 2HG LYS 34 HG1 LYS 34 -14.786 4.263 0.280 235 1HD LYS 34 HD2 LYS 34 -15.083 6.338 2.462 236 2HD LYS 34 HD1 LYS 34 -16.146 6.176 1.064 237 1HE LYS 34 HE2 LYS 34 -16.833 3.981 1.774 238 2HE LYS 34 HE1 LYS 34 -15.680 3.992 3.103 239 1HZ LYS 34 HZ1 LYS 34 -17.995 5.816 2.822 240 2HZ LYS 34 HZ2 LYS 34 -16.872 5.835 4.091 241 3HZ LYS 34 HZ3 LYS 34 -17.881 4.496 3.874 242 H SER 35 HN SER 35 -10.437 1.855 0.941 243 HA SER 35 HA SER 35 -8.998 2.613 3.387 244 1HB SER 35 HB2 SER 35 -9.975 -0.174 2.719 245 2HB SER 35 HB1 SER 35 -8.832 0.204 4.009 246 HG SER 35 HG SER 35 -10.869 0.120 4.899 247 H CYS 36 HN CYS 36 -6.845 2.570 3.163 248 HA CYS 36 HA CYS 36 -5.654 1.988 0.621 249 1HB CYS 36 HB2 CYS 36 -4.658 2.912 3.279 250 2HB CYS 36 HB1 CYS 36 -3.493 2.211 2.165 251 H LYS 37 HN LYS 37 -5.376 -0.029 -0.082 252 HA LYS 37 HA LYS 37 -4.494 -2.076 1.862 253 1HB LYS 37 HB2 LYS 37 -6.620 -2.578 0.741 254 2HB LYS 37 HB1 LYS 37 -5.831 -2.461 -0.818 255 1HG LYS 37 HG2 LYS 37 -4.714 -4.364 1.203 256 2HG LYS 37 HG1 LYS 37 -6.239 -4.778 0.434 257 1HD LYS 37 HD2 LYS 37 -3.725 -4.073 -1.099 258 2HD LYS 37 HD1 LYS 37 -4.203 -5.708 -0.681 259 1HE LYS 37 HE2 LYS 37 -5.895 -3.808 -2.305 260 2HE LYS 37 HE1 LYS 37 -4.836 -5.042 -2.971 261 1HZ LYS 37 HZ1 LYS 37 -6.137 -6.702 -1.670 262 2HZ LYS 37 HZ2 LYS 37 -7.004 -5.926 -2.897 263 3HZ LYS 37 HZ3 LYS 37 -7.235 -5.468 -1.290 264 H CYS 38 HN CYS 38 -2.417 -2.513 1.770 265 HA CYS 38 HA CYS 38 -0.848 -1.736 -0.568 266 1HB CYS 38 HB2 CYS 38 -0.085 -2.739 2.177 267 2HB CYS 38 HB1 CYS 38 1.084 -2.380 0.913 268 H TYR 39 HN TYR 39 0.402 -3.156 -1.762 269 HA TYR 39 HA TYR 39 -0.675 -5.832 -1.999 270 1HB TYR 39 HB2 TYR 39 1.559 -4.406 -3.454 271 2HB TYR 39 HB1 TYR 39 1.032 -6.040 -3.839 272 HD1 TYR 39 HD1 TYR 39 -0.226 -2.538 -3.619 273 HD2 TYR 39 HD2 TYR 39 -0.701 -6.373 -5.376 274 HE1 TYR 39 HE1 TYR 39 -1.876 -1.601 -5.148 275 HE2 TYR 39 HE2 TYR 39 -2.371 -5.448 -6.922 276 HH TYR 39 HH TYR 39 -2.711 -2.672 -7.809 277 H GLY 40 HN GLY 40 1.696 -4.437 -0.062 278 1HA GLY 40 HA2 GLY 40 2.950 -5.477 1.532 279 2HA GLY 40 HA1 GLY 40 2.600 -7.034 0.798 280 H CYS 41 HN CYS 41 3.515 -6.628 -1.781 281 HA CYS 41 HA CYS 41 5.332 -6.824 -3.048 282 1HB CYS 41 HB2 CYS 41 6.294 -4.625 -1.226 283 2HB CYS 41 HB1 CYS 41 7.209 -5.192 -2.581 Start of MODEL 16 1 1H TRP 1 HT1 TRP 1 5.985 5.405 14.155 2 2H TRP 1 HT2 TRP 1 6.228 3.717 14.027 3 3H TRP 1 HT3 TRP 1 4.797 4.425 13.397 4 HA TRP 1 HA TRP 1 7.565 4.817 12.457 5 1HB TRP 1 HB2 TRP 1 5.154 3.463 11.214 6 2HB TRP 1 HB1 TRP 1 6.655 3.793 10.354 7 HD1 TRP 1 HD1 TRP 1 8.794 2.309 11.007 8 HE1 TRP 1 HE1 TRP 1 8.984 0.004 12.129 9 HE3 TRP 1 HE3 TRP 1 4.086 1.972 12.976 10 HZ2 TRP 1 HZ2 TRP 1 7.359 -1.728 13.655 11 HZ3 TRP 1 HZ3 TRP 1 3.485 -0.044 14.251 12 HH2 TRP 1 HH2 TRP 1 5.088 -1.853 14.583 13 H CYS 2 HN CYS 2 4.154 5.372 11.568 14 HA CYS 2 HA CYS 2 4.941 7.693 10.003 15 1HB CYS 2 HB2 CYS 2 3.314 6.139 9.075 16 2HB CYS 2 HB1 CYS 2 2.262 6.384 10.459 17 H SER 3 HN SER 3 3.969 9.783 10.287 18 HA SER 3 HA SER 3 4.085 10.821 12.846 19 1HB SER 3 HB2 SER 3 2.801 12.777 11.818 20 2HB SER 3 HB1 SER 3 4.275 12.288 10.985 21 HG SER 3 HG SER 3 2.664 12.525 9.463 22 H THR 4 HN THR 4 1.152 10.135 10.938 23 HA THR 4 HA THR 4 -0.262 9.600 13.472 24 HB THR 4 HB THR 4 -2.372 10.377 12.255 25 HG1 THR 4 HG1 THR 4 -2.155 11.540 10.414 26 1HG2 THR 4 HG21 THR 4 -1.340 11.709 14.016 27 2HG2 THR 4 HG22 THR 4 -1.999 12.734 12.741 28 3HG2 THR 4 HG23 THR 4 -0.261 12.453 12.834 29 H CYS 5 HN CYS 5 -1.275 9.283 10.086 30 HA CYS 5 HA CYS 5 -2.112 7.546 8.937 31 1HB CYS 5 HB2 CYS 5 0.349 6.350 10.177 32 2HB CYS 5 HB1 CYS 5 -0.586 5.499 8.966 33 H LEU 6 HN LEU 6 -3.891 7.700 10.647 34 HA LEU 6 HA LEU 6 -4.188 5.331 12.314 35 1HB LEU 6 HB2 LEU 6 -5.170 7.498 12.979 36 2HB LEU 6 HB1 LEU 6 -6.165 7.490 11.537 37 HG LEU 6 HG LEU 6 -7.300 5.434 12.380 38 1HD1 LEU 6 HD11 LEU 6 -5.678 5.968 14.868 39 2HD1 LEU 6 HD12 LEU 6 -5.535 4.567 13.806 40 3HD1 LEU 6 HD13 LEU 6 -7.009 4.817 14.735 41 1HD2 LEU 6 HD21 LEU 6 -8.622 6.569 14.076 42 2HD2 LEU 6 HD22 LEU 6 -8.263 7.651 12.733 43 3HD2 LEU 6 HD23 LEU 6 -7.370 7.801 14.248 44 H ASP 7 HN ASP 7 -5.887 6.747 9.533 45 HA ASP 7 HA ASP 7 -5.871 4.234 8.143 46 1HB ASP 7 HB2 ASP 7 -7.882 4.007 9.633 47 2HB ASP 7 HB1 ASP 7 -8.588 5.407 8.831 48 H LEU 8 HN LEU 8 -5.466 4.775 6.102 49 HA LEU 8 HA LEU 8 -5.856 7.556 5.291 50 1HB LEU 8 HB2 LEU 8 -4.404 5.287 3.931 51 2HB LEU 8 HB1 LEU 8 -4.373 6.961 3.438 52 HG LEU 8 HG LEU 8 -3.231 5.828 5.986 53 1HD1 LEU 8 HD11 LEU 8 -1.098 6.434 5.050 54 2HD1 LEU 8 HD12 LEU 8 -1.870 7.082 3.602 55 3HD1 LEU 8 HD13 LEU 8 -1.938 5.351 3.947 56 1HD2 LEU 8 HD21 LEU 8 -2.346 8.119 6.346 57 2HD2 LEU 8 HD22 LEU 8 -4.098 8.029 6.454 58 3HD2 LEU 8 HD23 LEU 8 -3.339 8.682 5.001 59 H ALA 9 HN ALA 9 -8.272 6.364 5.443 60 HA ALA 9 HA ALA 9 -9.271 4.933 3.341 61 1HB ALA 9 HB1 ALA 9 -10.581 6.999 5.082 62 2HB ALA 9 HB2 ALA 9 -10.613 5.249 5.252 63 3HB ALA 9 HB3 ALA 9 -11.482 6.012 3.930 64 H CYS 10 HN CYS 10 -8.233 5.676 1.474 65 HA CYS 10 HA CYS 10 -8.026 6.757 -0.483 66 1HB CYS 10 HB2 CYS 10 -10.867 7.483 0.229 67 2HB CYS 10 HB1 CYS 10 -10.119 8.090 -1.240 68 H THR 11 HN THR 11 -6.573 7.868 1.332 69 HA THR 11 HA THR 11 -6.969 10.769 1.275 70 HB THR 11 HB THR 11 -4.656 10.810 2.299 71 HG1 THR 11 HG1 THR 11 -3.632 8.928 2.728 72 1HG2 THR 11 HG21 THR 11 -6.640 10.843 3.724 73 2HG2 THR 11 HG22 THR 11 -5.329 9.932 4.473 74 3HG2 THR 11 HG23 THR 11 -6.678 9.078 3.725 75 H GLY 12 HN GLY 12 -6.104 8.397 -0.843 76 1HA GLY 12 HA2 GLY 12 -5.509 9.146 -3.090 77 2HA GLY 12 HA1 GLY 12 -4.238 10.109 -2.347 78 H SER 13 HN SER 13 -4.579 7.447 -4.087 79 HA SER 13 HA SER 13 -3.241 5.431 -2.647 80 1HB SER 13 HB2 SER 13 -3.187 5.934 -5.637 81 2HB SER 13 HB1 SER 13 -2.796 4.417 -4.824 82 HG SER 13 HG SER 13 -5.293 5.661 -5.169 83 H LYS 14 HN LYS 14 -2.025 8.025 -4.713 84 HA LYS 14 HA LYS 14 0.717 7.414 -4.461 85 1HB LYS 14 HB2 LYS 14 1.071 9.795 -5.174 86 2HB LYS 14 HB1 LYS 14 0.084 8.809 -6.246 87 1HG LYS 14 HG2 LYS 14 -1.947 9.811 -5.182 88 2HG LYS 14 HG1 LYS 14 -0.871 10.879 -4.283 89 1HD LYS 14 HD2 LYS 14 -0.028 11.804 -6.362 90 2HD LYS 14 HD1 LYS 14 -1.023 10.680 -7.292 91 1HE LYS 14 HE2 LYS 14 -3.042 11.696 -6.315 92 2HE LYS 14 HE1 LYS 14 -2.023 12.844 -5.442 93 1HZ LYS 14 HZ1 LYS 14 -2.196 12.579 -8.396 94 2HZ LYS 14 HZ2 LYS 14 -1.220 13.683 -7.559 95 3HZ LYS 14 HZ3 LYS 14 -2.903 13.801 -7.464 96 H ASP 15 HN ASP 15 -1.522 8.942 -2.339 97 HA ASP 15 HA ASP 15 0.433 10.155 -0.616 98 1HB ASP 15 HB2 ASP 15 -1.876 10.996 -0.657 99 2HB ASP 15 HB1 ASP 15 -2.471 9.443 -0.105 100 H CYS 16 HN CYS 16 -1.577 7.231 -0.590 101 HA CYS 16 HA CYS 16 -0.625 6.114 1.801 102 1HB CYS 16 HB2 CYS 16 -1.671 4.732 -0.678 103 2HB CYS 16 HB1 CYS 16 -1.452 3.958 0.889 104 H TYR 17 HN TYR 17 0.751 6.193 -1.420 105 HA TYR 17 HA TYR 17 2.509 4.067 -1.345 106 1HB TYR 17 HB2 TYR 17 2.795 6.808 -2.569 107 2HB TYR 17 HB1 TYR 17 4.012 5.566 -2.800 108 HD1 TYR 17 HD1 TYR 17 2.831 6.719 -5.147 109 HD2 TYR 17 HD2 TYR 17 1.350 3.532 -2.729 110 HE1 TYR 17 HE1 TYR 17 1.582 5.823 -7.065 111 HE2 TYR 17 HE2 TYR 17 0.123 2.682 -4.640 112 HH TYR 17 HH TYR 17 0.608 3.032 -7.494 113 H ALA 18 HN ALA 18 2.955 7.254 0.124 114 HA ALA 18 HA ALA 18 5.670 6.905 0.741 115 1HB ALA 18 HB1 ALA 18 4.738 8.643 2.694 116 2HB ALA 18 HB2 ALA 18 3.630 8.872 1.344 117 3HB ALA 18 HB3 ALA 18 5.361 9.055 1.101 118 HA PRO 19 HA PRO 19 4.540 5.472 5.189 119 1HB PRO 19 HB2 PRO 19 1.670 4.826 5.211 120 2HB PRO 19 HB1 PRO 19 2.610 5.839 6.310 121 1HG PRO 19 HG2 PRO 19 0.833 6.871 4.580 122 2HG PRO 19 HG1 PRO 19 2.310 7.729 5.040 123 1HD PRO 19 HD2 PRO 19 1.738 6.142 2.600 124 2HD PRO 19 HD1 PRO 19 2.513 7.703 2.738 125 H CYS 20 HN CYS 20 2.811 4.116 2.456 126 HA CYS 20 HA CYS 20 2.686 1.435 3.325 127 1HB CYS 20 HB2 CYS 20 1.482 2.392 1.341 128 2HB CYS 20 HB1 CYS 20 3.007 2.411 0.466 129 H ARG 21 HN ARG 21 5.058 3.152 1.279 130 HA ARG 21 HA ARG 21 6.914 1.015 1.134 131 1HB ARG 21 HB2 ARG 21 7.015 2.886 -0.393 132 2HB ARG 21 HB1 ARG 21 7.309 4.005 0.921 133 1HG ARG 21 HG2 ARG 21 9.462 2.894 1.364 134 2HG ARG 21 HG1 ARG 21 9.160 1.811 0.004 135 1HD ARG 21 HD2 ARG 21 9.111 3.693 -1.501 136 2HD ARG 21 HD1 ARG 21 9.340 4.820 -0.165 137 HE ARG 21 HE ARG 21 11.514 3.396 0.154 138 1HH1 ARG 21 HH11 ARG 21 10.110 4.521 -2.868 139 2HH1 ARG 21 HH12 ARG 21 11.629 4.583 -3.668 140 1HH2 ARG 21 HH21 ARG 21 13.511 3.506 -0.936 141 2HH2 ARG 21 HH22 ARG 21 13.557 4.020 -2.590 142 H LYS 22 HN LYS 22 6.704 3.851 3.236 143 HA LYS 22 HA LYS 22 9.003 3.529 4.719 144 1HB LYS 22 HB2 LYS 22 7.525 5.506 4.716 145 2HB LYS 22 HB1 LYS 22 6.341 4.608 5.651 146 1HG LYS 22 HG2 LYS 22 7.846 4.474 7.527 147 2HG LYS 22 HG1 LYS 22 9.123 5.255 6.588 148 1HD LYS 22 HD2 LYS 22 7.763 7.278 6.403 149 2HD LYS 22 HD1 LYS 22 6.462 6.498 7.306 150 1HE LYS 22 HE2 LYS 22 7.722 7.972 8.750 151 2HE LYS 22 HE1 LYS 22 7.946 6.298 9.250 152 1HZ LYS 22 HZ1 LYS 22 10.005 7.635 9.236 153 2HZ LYS 22 HZ2 LYS 22 9.877 7.801 7.559 154 3HZ LYS 22 HZ3 LYS 22 10.097 6.269 8.247 155 H GLN 23 HN GLN 23 5.835 1.997 5.259 156 HA GLN 23 HA GLN 23 6.884 0.719 7.691 157 1HB GLN 23 HB2 GLN 23 4.084 0.907 6.586 158 2HB GLN 23 HB1 GLN 23 4.522 0.082 8.080 159 1HG GLN 23 HG2 GLN 23 5.326 2.180 9.019 160 2HG GLN 23 HG1 GLN 23 4.917 3.014 7.521 161 1HE2 GLN 23 HE21 GLN 23 3.660 1.461 10.377 162 2HE2 GLN 23 HE22 GLN 23 2.058 2.091 10.232 163 H THR 24 HN THR 24 5.232 -0.217 4.661 164 HA THR 24 HA THR 24 5.520 -3.017 5.341 165 HB THR 24 HB THR 24 4.177 -3.519 3.482 166 HG1 THR 24 HG1 THR 24 4.140 -2.350 1.631 167 1HG2 THR 24 HG21 THR 24 3.271 -0.703 4.060 168 2HG2 THR 24 HG22 THR 24 3.057 -2.023 5.206 169 3HG2 THR 24 HG23 THR 24 2.298 -2.098 3.620 170 H GLY 25 HN GLY 25 7.242 -0.686 3.385 171 1HA GLY 25 HA2 GLY 25 9.493 -1.080 2.739 172 2HA GLY 25 HA1 GLY 25 9.161 -2.798 2.611 173 H CYS 26 HN CYS 26 6.525 -2.034 1.245 174 HA CYS 26 HA CYS 26 7.697 -1.596 -1.402 175 1HB CYS 26 HB2 CYS 26 5.274 -3.170 -0.555 176 2HB CYS 26 HB1 CYS 26 5.681 -2.830 -2.234 177 HA PRO 27 HA PRO 27 5.171 2.082 -1.380 178 1HB PRO 27 HB2 PRO 27 6.070 3.171 -3.616 179 2HB PRO 27 HB1 PRO 27 7.194 2.829 -2.306 180 1HG PRO 27 HG2 PRO 27 6.683 1.238 -4.783 181 2HG PRO 27 HG1 PRO 27 8.231 1.698 -4.049 182 1HD PRO 27 HD2 PRO 27 6.968 -0.744 -3.685 183 2HD PRO 27 HD1 PRO 27 8.186 -0.046 -2.597 184 H ASN 28 HN ASN 28 4.029 -0.525 -2.669 185 HA ASN 28 HA ASN 28 2.370 0.777 -4.721 186 1HB ASN 28 HB2 ASN 28 3.162 -2.103 -4.342 187 2HB ASN 28 HB1 ASN 28 1.832 -1.620 -5.393 188 1HD2 ASN 28 HD21 ASN 28 2.742 -2.224 -7.307 189 2HD2 ASN 28 HD22 ASN 28 4.154 -1.473 -7.959 190 H ALA 29 HN ALA 29 0.557 1.452 -3.893 191 HA ALA 29 HA ALA 29 -1.129 -0.326 -2.316 192 1HB ALA 29 HB1 ALA 29 -1.736 1.515 -0.813 193 2HB ALA 29 HB2 ALA 29 -0.552 2.555 -1.608 194 3HB ALA 29 HB3 ALA 29 -0.026 1.141 -0.720 195 H LYS 30 HN LYS 30 -3.407 0.534 -2.206 196 HA LYS 30 HA LYS 30 -4.205 2.469 -4.181 197 1HB LYS 30 HB2 LYS 30 -3.814 0.489 -5.615 198 2HB LYS 30 HB1 LYS 30 -4.928 -0.441 -4.628 199 1HG LYS 30 HG2 LYS 30 -6.008 0.243 -6.657 200 2HG LYS 30 HG1 LYS 30 -6.760 1.066 -5.292 201 1HD LYS 30 HD2 LYS 30 -5.419 3.064 -5.797 202 2HD LYS 30 HD1 LYS 30 -4.704 2.239 -7.174 203 1HE LYS 30 HE2 LYS 30 -7.650 2.801 -6.818 204 2HE LYS 30 HE1 LYS 30 -6.542 3.790 -7.766 205 1HZ LYS 30 HZ1 LYS 30 -7.708 2.298 -9.201 206 2HZ LYS 30 HZ2 LYS 30 -7.252 0.955 -8.284 207 3HZ LYS 30 HZ3 LYS 30 -6.085 1.823 -9.152 208 H CYS 31 HN CYS 31 -6.260 3.262 -3.764 209 HA CYS 31 HA CYS 31 -7.544 2.195 -1.367 210 1HB CYS 31 HB2 CYS 31 -7.066 4.657 -1.596 211 2HB CYS 31 HB1 CYS 31 -8.309 4.700 -2.844 212 H ILE 32 HN ILE 32 -8.794 0.503 -1.820 213 HA ILE 32 HA ILE 32 -10.847 0.888 -3.913 214 HB ILE 32 HB ILE 32 -10.858 -1.805 -3.679 215 1HG1 ILE 32 HG12 ILE 32 -8.429 -2.524 -3.830 216 2HG1 ILE 32 HG11 ILE 32 -7.980 -0.973 -3.152 217 1HG2 ILE 32 HG21 ILE 32 -9.632 -1.871 -5.771 218 2HG2 ILE 32 HG22 ILE 32 -9.052 -0.226 -5.498 219 3HG2 ILE 32 HG23 ILE 32 -10.774 -0.528 -5.739 220 1HD1 ILE 32 HD11 ILE 32 -8.457 -3.253 -1.758 221 2HD1 ILE 32 HD12 ILE 32 -9.997 -2.436 -1.593 222 3HD1 ILE 32 HD13 ILE 32 -8.515 -1.640 -1.082 223 H ASN 33 HN ASN 33 -12.895 0.832 -3.273 224 HA ASN 33 HA ASN 33 -14.713 0.771 -1.925 225 1HB ASN 33 HB2 ASN 33 -13.222 -1.429 -0.458 226 2HB ASN 33 HB1 ASN 33 -14.908 -1.011 -0.212 227 1HD2 ASN 33 HD21 ASN 33 -13.601 -3.507 -1.122 228 2HD2 ASN 33 HD22 ASN 33 -14.379 -3.879 -2.618 229 H LYS 34 HN LYS 34 -12.572 2.594 -1.450 230 HA LYS 34 HA LYS 34 -11.967 4.186 -0.013 231 1HB LYS 34 HB2 LYS 34 -14.057 3.038 1.798 232 2HB LYS 34 HB1 LYS 34 -13.108 4.461 2.178 233 1HG LYS 34 HG2 LYS 34 -13.988 5.450 0.009 234 2HG LYS 34 HG1 LYS 34 -15.140 4.108 -0.001 235 1HD LYS 34 HD2 LYS 34 -15.978 4.793 2.184 236 2HD LYS 34 HD1 LYS 34 -14.800 6.107 2.240 237 1HE LYS 34 HE2 LYS 34 -15.858 6.982 0.117 238 2HE LYS 34 HE1 LYS 34 -17.136 5.791 0.371 239 1HZ LYS 34 HZ1 LYS 34 -17.735 7.946 1.259 240 2HZ LYS 34 HZ2 LYS 34 -16.378 7.949 2.267 241 3HZ LYS 34 HZ3 LYS 34 -17.612 6.812 2.508 242 H SER 35 HN SER 35 -11.173 1.111 0.259 243 HA SER 35 HA SER 35 -9.668 1.372 2.753 244 1HB SER 35 HB2 SER 35 -11.097 -0.649 2.437 245 2HB SER 35 HB1 SER 35 -10.110 -1.094 1.050 246 HG SER 35 HG SER 35 -9.433 -2.122 2.982 247 H CYS 36 HN CYS 36 -7.828 2.478 2.275 248 HA CYS 36 HA CYS 36 -6.395 1.952 -0.192 249 1HB CYS 36 HB2 CYS 36 -6.589 4.231 1.023 250 2HB CYS 36 HB1 CYS 36 -5.321 3.605 2.069 251 H LYS 37 HN LYS 37 -5.708 -0.115 -0.152 252 HA LYS 37 HA LYS 37 -4.194 -1.024 2.212 253 1HB LYS 37 HB2 LYS 37 -4.642 -3.259 1.456 254 2HB LYS 37 HB1 LYS 37 -6.149 -2.352 1.511 255 1HG LYS 37 HG2 LYS 37 -6.403 -2.305 -0.737 256 2HG LYS 37 HG1 LYS 37 -4.686 -2.441 -1.088 257 1HD LYS 37 HD2 LYS 37 -4.750 -4.785 -0.309 258 2HD LYS 37 HD1 LYS 37 -6.497 -4.625 -0.085 259 1HE LYS 37 HE2 LYS 37 -6.787 -4.170 -2.436 260 2HE LYS 37 HE1 LYS 37 -5.045 -4.179 -2.687 261 1HZ LYS 37 HZ1 LYS 37 -6.045 -6.250 -3.361 262 2HZ LYS 37 HZ2 LYS 37 -6.675 -6.498 -1.812 263 3HZ LYS 37 HZ3 LYS 37 -4.998 -6.502 -2.057 264 H CYS 38 HN CYS 38 -2.352 -2.375 1.880 265 HA CYS 38 HA CYS 38 -0.769 -1.670 -0.516 266 1HB CYS 38 HB2 CYS 38 0.066 -2.647 2.223 267 2HB CYS 38 HB1 CYS 38 1.171 -2.451 0.868 268 H TYR 39 HN TYR 39 0.062 -3.301 -1.771 269 HA TYR 39 HA TYR 39 -1.376 -5.800 -1.658 270 1HB TYR 39 HB2 TYR 39 0.794 -4.828 -3.532 271 2HB TYR 39 HB1 TYR 39 -0.123 -6.317 -3.745 272 HD1 TYR 39 HD1 TYR 39 -2.461 -6.261 -4.424 273 HD2 TYR 39 HD2 TYR 39 -0.249 -2.655 -3.936 274 HE1 TYR 39 HE1 TYR 39 -4.212 -5.026 -5.624 275 HE2 TYR 39 HE2 TYR 39 -1.994 -1.415 -5.133 276 HH TYR 39 HH TYR 39 -4.975 -2.388 -5.566 277 H GLY 40 HN GLY 40 1.417 -4.710 -0.166 278 1HA GLY 40 HA2 GLY 40 2.738 -5.869 1.278 279 2HA GLY 40 HA1 GLY 40 2.074 -7.382 0.678 280 H CYS 41 HN CYS 41 4.564 -7.691 1.036 281 HA CYS 41 HA CYS 41 5.941 -7.101 -1.518 282 1HB CYS 41 HB2 CYS 41 7.122 -7.546 1.232 283 2HB CYS 41 HB1 CYS 41 8.036 -7.251 -0.246 Start of MODEL 17 1 1H TRP 1 HT1 TRP 1 1.884 2.039 14.472 2 2H TRP 1 HT2 TRP 1 0.803 2.455 13.207 3 3H TRP 1 HT3 TRP 1 1.615 3.681 14.085 4 HA TRP 1 HA TRP 1 3.686 3.035 13.280 5 1HB TRP 1 HB2 TRP 1 3.808 1.264 11.464 6 2HB TRP 1 HB1 TRP 1 3.510 0.684 13.093 7 HD1 TRP 1 HD1 TRP 1 1.891 0.895 9.660 8 HE1 TRP 1 HE1 TRP 1 -0.223 -0.568 9.639 9 HE3 TRP 1 HE3 TRP 1 1.630 -0.237 14.641 10 HZ2 TRP 1 HZ2 TRP 1 -1.784 -2.020 11.476 11 HZ3 TRP 1 HZ3 TRP 1 -0.208 -1.675 15.423 12 HH2 TRP 1 HH2 TRP 1 -1.878 -2.546 13.871 13 H CYS 2 HN CYS 2 0.816 2.782 11.155 14 HA CYS 2 HA CYS 2 2.005 4.787 9.387 15 1HB CYS 2 HB2 CYS 2 0.061 4.320 7.941 16 2HB CYS 2 HB1 CYS 2 1.092 2.952 8.201 17 H SER 3 HN SER 3 1.891 6.450 10.947 18 HA SER 3 HA SER 3 -0.259 7.291 12.410 19 1HB SER 3 HB2 SER 3 1.680 9.171 11.048 20 2HB SER 3 HB1 SER 3 0.856 9.395 12.596 21 HG SER 3 HG SER 3 2.154 7.887 13.512 22 H THR 4 HN THR 4 0.396 8.016 8.995 23 HA THR 4 HA THR 4 -2.254 9.316 8.852 24 HB THR 4 HB THR 4 0.031 9.804 6.914 25 HG1 THR 4 HG1 THR 4 0.709 11.450 8.190 26 1HG2 THR 4 HG21 THR 4 -1.215 11.855 6.453 27 2HG2 THR 4 HG22 THR 4 -2.438 11.393 7.634 28 3HG2 THR 4 HG23 THR 4 -2.223 10.440 6.168 29 H CYS 5 HN CYS 5 -2.424 6.668 8.731 30 HA CYS 5 HA CYS 5 -2.691 6.097 5.827 31 1HB CYS 5 HB2 CYS 5 -2.548 3.760 6.303 32 2HB CYS 5 HB1 CYS 5 -1.181 4.559 7.026 33 H LEU 6 HN LEU 6 -4.271 6.325 8.898 34 HA LEU 6 HA LEU 6 -6.589 4.861 8.137 35 1HB LEU 6 HB2 LEU 6 -7.497 5.713 10.324 36 2HB LEU 6 HB1 LEU 6 -6.020 4.776 10.384 37 HG LEU 6 HG LEU 6 -4.823 7.118 10.439 38 1HD1 LEU 6 HD11 LEU 6 -6.539 8.618 10.038 39 2HD1 LEU 6 HD12 LEU 6 -6.263 8.736 11.759 40 3HD1 LEU 6 HD13 LEU 6 -7.645 7.825 11.148 41 1HD2 LEU 6 HD21 LEU 6 -4.789 5.471 12.236 42 2HD2 LEU 6 HD22 LEU 6 -6.343 6.077 12.814 43 3HD2 LEU 6 HD23 LEU 6 -4.918 7.119 12.850 44 H ASP 7 HN ASP 7 -5.679 8.223 7.930 45 HA ASP 7 HA ASP 7 -8.447 8.904 7.133 46 1HB ASP 7 HB2 ASP 7 -7.523 10.174 9.064 47 2HB ASP 7 HB1 ASP 7 -6.228 10.766 8.032 48 H LEU 8 HN LEU 8 -6.384 7.541 5.511 49 HA LEU 8 HA LEU 8 -6.067 9.568 3.416 50 1HB LEU 8 HB2 LEU 8 -3.983 8.606 4.566 51 2HB LEU 8 HB1 LEU 8 -4.371 7.107 3.742 52 HG LEU 8 HG LEU 8 -4.145 8.274 1.566 53 1HD1 LEU 8 HD11 LEU 8 -3.471 10.482 1.366 54 2HD1 LEU 8 HD12 LEU 8 -2.980 10.609 3.049 55 3HD1 LEU 8 HD13 LEU 8 -4.678 10.580 2.624 56 1HD2 LEU 8 HD21 LEU 8 -2.259 7.081 2.571 57 2HD2 LEU 8 HD22 LEU 8 -1.761 8.563 3.390 58 3HD2 LEU 8 HD23 LEU 8 -1.735 8.472 1.635 59 H ALA 9 HN ALA 9 -8.202 7.596 4.174 60 HA ALA 9 HA ALA 9 -8.286 5.442 2.436 61 1HB ALA 9 HB1 ALA 9 -9.712 5.689 4.396 62 2HB ALA 9 HB2 ALA 9 -10.664 5.359 2.950 63 3HB ALA 9 HB3 ALA 9 -10.591 6.997 3.606 64 H CYS 10 HN CYS 10 -7.585 6.163 0.409 65 HA CYS 10 HA CYS 10 -7.814 6.794 -1.716 66 1HB CYS 10 HB2 CYS 10 -10.744 6.753 -0.967 67 2HB CYS 10 HB1 CYS 10 -10.208 7.166 -2.585 68 H THR 11 HN THR 11 -7.075 8.688 0.162 69 HA THR 11 HA THR 11 -8.340 11.192 -0.621 70 HB THR 11 HB THR 11 -5.729 10.761 0.858 71 HG1 THR 11 HG1 THR 11 -7.121 11.201 2.744 72 1HG2 THR 11 HG21 THR 11 -7.548 13.154 0.618 73 2HG2 THR 11 HG22 THR 11 -5.906 13.004 -0.011 74 3HG2 THR 11 HG23 THR 11 -6.183 13.039 1.728 75 H GLY 12 HN GLY 12 -5.644 9.150 -1.449 76 1HA GLY 12 HA2 GLY 12 -5.382 10.033 -4.047 77 2HA GLY 12 HA1 GLY 12 -4.224 10.970 -3.105 78 H SER 13 HN SER 13 -4.302 8.416 -5.039 79 HA SER 13 HA SER 13 -3.133 6.335 -3.550 80 1HB SER 13 HB2 SER 13 -2.284 5.592 -5.869 81 2HB SER 13 HB1 SER 13 -4.025 5.748 -5.636 82 HG SER 13 HG SER 13 -2.272 7.465 -7.022 83 H LYS 14 HN LYS 14 -1.671 9.033 -5.341 84 HA LYS 14 HA LYS 14 1.009 8.259 -4.971 85 1HB LYS 14 HB2 LYS 14 1.593 10.584 -5.468 86 2HB LYS 14 HB1 LYS 14 0.435 9.918 -6.608 87 1HG LYS 14 HG2 LYS 14 -1.366 11.147 -5.636 88 2HG LYS 14 HG1 LYS 14 -0.360 11.663 -4.284 89 1HD LYS 14 HD2 LYS 14 -0.606 13.466 -5.887 90 2HD LYS 14 HD1 LYS 14 1.071 12.924 -5.831 91 1HE LYS 14 HE2 LYS 14 0.623 11.543 -7.868 92 2HE LYS 14 HE1 LYS 14 -0.992 12.244 -7.926 93 1HZ LYS 14 HZ1 LYS 14 0.019 14.423 -8.197 94 2HZ LYS 14 HZ2 LYS 14 0.539 13.365 -9.409 95 3HZ LYS 14 HZ3 LYS 14 1.568 13.741 -8.121 96 H ASP 15 HN ASP 15 -1.295 9.834 -2.902 97 HA ASP 15 HA ASP 15 0.574 10.675 -0.900 98 1HB ASP 15 HB2 ASP 15 -2.408 10.166 -0.819 99 2HB ASP 15 HB1 ASP 15 -1.491 10.701 0.573 100 H CYS 16 HN CYS 16 -1.526 7.860 -1.376 101 HA CYS 16 HA CYS 16 -0.923 6.481 0.980 102 1HB CYS 16 HB2 CYS 16 -1.588 5.329 -1.731 103 2HB CYS 16 HB1 CYS 16 -1.670 4.473 -0.210 104 H TYR 17 HN TYR 17 0.835 6.683 -2.052 105 HA TYR 17 HA TYR 17 2.507 4.497 -1.849 106 1HB TYR 17 HB2 TYR 17 3.091 7.251 -2.942 107 2HB TYR 17 HB1 TYR 17 4.163 5.877 -3.172 108 HD1 TYR 17 HD1 TYR 17 1.342 4.121 -3.378 109 HD2 TYR 17 HD2 TYR 17 3.205 7.332 -5.477 110 HE1 TYR 17 HE1 TYR 17 0.138 3.487 -5.394 111 HE2 TYR 17 HE2 TYR 17 1.988 6.697 -7.509 112 HH TYR 17 HH TYR 17 -0.507 5.186 -7.777 113 H ALA 18 HN ALA 18 2.922 7.646 -0.273 114 HA ALA 18 HA ALA 18 5.562 7.163 0.580 115 1HB ALA 18 HB1 ALA 18 5.304 9.342 0.827 116 2HB ALA 18 HB2 ALA 18 4.609 8.992 2.405 117 3HB ALA 18 HB3 ALA 18 3.559 9.235 1.011 118 HA PRO 19 HA PRO 19 3.849 5.847 4.939 119 1HB PRO 19 HB2 PRO 19 1.006 5.190 4.376 120 2HB PRO 19 HB1 PRO 19 1.727 6.046 5.744 121 1HG PRO 19 HG2 PRO 19 0.322 7.335 3.877 122 2HG PRO 19 HG1 PRO 19 1.747 8.069 4.637 123 1HD PRO 19 HD2 PRO 19 1.491 6.779 1.972 124 2HD PRO 19 HD1 PRO 19 2.337 8.244 2.422 125 H CYS 20 HN CYS 20 2.471 4.454 2.001 126 HA CYS 20 HA CYS 20 2.344 1.769 2.865 127 1HB CYS 20 HB2 CYS 20 1.243 2.622 0.820 128 2HB CYS 20 HB1 CYS 20 2.818 2.832 0.064 129 H ARG 21 HN ARG 21 4.869 3.611 1.166 130 HA ARG 21 HA ARG 21 6.741 1.478 1.027 131 1HB ARG 21 HB2 ARG 21 6.787 3.630 -0.296 132 2HB ARG 21 HB1 ARG 21 7.367 4.443 1.132 133 1HG ARG 21 HG2 ARG 21 9.347 3.012 1.156 134 2HG ARG 21 HG1 ARG 21 8.748 2.178 -0.271 135 1HD ARG 21 HD2 ARG 21 10.324 3.711 -1.067 136 2HD ARG 21 HD1 ARG 21 8.753 4.411 -1.449 137 HE ARG 21 HE ARG 21 9.610 5.393 1.050 138 1HH1 ARG 21 HH11 ARG 21 10.310 5.687 -2.380 139 2HH1 ARG 21 HH12 ARG 21 11.099 7.210 -2.200 140 1HH2 ARG 21 HH21 ARG 21 10.669 7.402 1.268 141 2HH2 ARG 21 HH22 ARG 21 11.306 8.190 -0.136 142 H LYS 22 HN LYS 22 6.081 4.022 3.395 143 HA LYS 22 HA LYS 22 8.292 3.577 5.080 144 1HB LYS 22 HB2 LYS 22 6.933 5.583 5.221 145 2HB LYS 22 HB1 LYS 22 5.525 4.646 5.686 146 1HG LYS 22 HG2 LYS 22 7.973 4.496 7.402 147 2HG LYS 22 HG1 LYS 22 6.991 5.961 7.447 148 1HD LYS 22 HD2 LYS 22 5.040 4.712 8.079 149 2HD LYS 22 HD1 LYS 22 5.884 3.185 7.900 150 1HE LYS 22 HE2 LYS 22 5.759 3.709 10.219 151 2HE LYS 22 HE1 LYS 22 7.435 3.871 9.705 152 1HZ LYS 22 HZ1 LYS 22 5.523 6.123 10.048 153 2HZ LYS 22 HZ2 LYS 22 7.157 6.257 9.627 154 3HZ LYS 22 HZ3 LYS 22 6.723 5.678 11.154 155 H GLN 23 HN GLN 23 5.151 1.988 4.842 156 HA GLN 23 HA GLN 23 5.568 0.468 7.265 157 1HB GLN 23 HB2 GLN 23 3.315 1.105 6.737 158 2HB GLN 23 HB1 GLN 23 3.424 0.357 5.147 159 1HG GLN 23 HG2 GLN 23 3.686 -1.851 6.243 160 2HG GLN 23 HG1 GLN 23 3.494 -1.059 7.804 161 1HE2 GLN 23 HE21 GLN 23 1.696 -2.367 8.239 162 2HE2 GLN 23 HE22 GLN 23 0.174 -2.071 7.478 163 H THR 24 HN THR 24 5.042 -0.516 3.854 164 HA THR 24 HA THR 24 6.254 -3.097 4.562 165 HB THR 24 HB THR 24 3.889 -3.007 3.718 166 HG1 THR 24 HG1 THR 24 5.709 -4.489 2.074 167 1HG2 THR 24 HG21 THR 24 4.588 -1.224 1.911 168 2HG2 THR 24 HG22 THR 24 3.329 -2.395 1.581 169 3HG2 THR 24 HG23 THR 24 4.956 -2.651 0.960 170 H GLY 25 HN GLY 25 7.357 -0.334 3.152 171 1HA GLY 25 HA2 GLY 25 9.455 -0.094 2.237 172 2HA GLY 25 HA1 GLY 25 9.531 -1.818 1.948 173 H CYS 26 HN CYS 26 7.077 -1.971 0.408 174 HA CYS 26 HA CYS 26 8.120 -0.814 -2.057 175 1HB CYS 26 HB2 CYS 26 6.170 -3.077 -1.666 176 2HB CYS 26 HB1 CYS 26 6.832 -2.521 -3.202 177 HA PRO 27 HA PRO 27 4.795 2.090 -1.481 178 1HB PRO 27 HB2 PRO 27 5.502 3.843 -3.365 179 2HB PRO 27 HB1 PRO 27 6.546 3.535 -1.995 180 1HG PRO 27 HG2 PRO 27 6.715 2.356 -4.738 181 2HG PRO 27 HG1 PRO 27 7.993 3.138 -3.787 182 1HD PRO 27 HD2 PRO 27 7.686 0.443 -3.887 183 2HD PRO 27 HD1 PRO 27 8.315 1.290 -2.457 184 H ASN 28 HN ASN 28 4.314 -0.320 -3.332 185 HA ASN 28 HA ASN 28 2.569 0.972 -5.300 186 1HB ASN 28 HB2 ASN 28 2.377 -1.291 -6.308 187 2HB ASN 28 HB1 ASN 28 4.003 -0.626 -6.312 188 1HD2 ASN 28 HD21 ASN 28 2.047 -3.217 -5.305 189 2HD2 ASN 28 HD22 ASN 28 3.234 -4.098 -4.452 190 H ALA 29 HN ALA 29 0.653 1.441 -4.484 191 HA ALA 29 HA ALA 29 -0.826 -0.641 -3.021 192 1HB ALA 29 HB1 ALA 29 -1.001 0.523 -1.130 193 2HB ALA 29 HB2 ALA 29 -1.226 2.060 -1.952 194 3HB ALA 29 HB3 ALA 29 0.388 1.429 -1.705 195 H LYS 30 HN LYS 30 -3.075 -0.345 -2.954 196 HA LYS 30 HA LYS 30 -4.212 1.638 -4.820 197 1HB LYS 30 HB2 LYS 30 -4.067 -0.531 -5.978 198 2HB LYS 30 HB1 LYS 30 -4.955 -1.299 -4.668 199 1HG LYS 30 HG2 LYS 30 -6.918 0.047 -5.189 200 2HG LYS 30 HG1 LYS 30 -6.023 0.868 -6.474 201 1HD LYS 30 HD2 LYS 30 -5.743 -1.259 -7.647 202 2HD LYS 30 HD1 LYS 30 -6.607 -2.096 -6.354 203 1HE LYS 30 HE2 LYS 30 -8.617 -0.821 -6.854 204 2HE LYS 30 HE1 LYS 30 -7.759 0.071 -8.111 205 1HZ LYS 30 HZ1 LYS 30 -7.447 -2.000 -9.318 206 2HZ LYS 30 HZ2 LYS 30 -9.088 -1.705 -9.042 207 3HZ LYS 30 HZ3 LYS 30 -8.273 -2.856 -8.111 208 H CYS 31 HN CYS 31 -5.843 2.737 -3.861 209 HA CYS 31 HA CYS 31 -6.341 2.123 -1.120 210 1HB CYS 31 HB2 CYS 31 -7.356 4.236 -0.945 211 2HB CYS 31 HB1 CYS 31 -6.034 4.436 -2.083 212 H ILE 32 HN ILE 32 -8.168 1.566 -0.093 213 HA ILE 32 HA ILE 32 -10.597 1.036 -1.687 214 HB ILE 32 HB ILE 32 -11.127 -0.836 -0.135 215 1HG1 ILE 32 HG12 ILE 32 -8.247 -0.523 0.763 216 2HG1 ILE 32 HG11 ILE 32 -9.662 -0.162 1.742 217 1HG2 ILE 32 HG21 ILE 32 -10.152 -1.246 -2.359 218 2HG2 ILE 32 HG22 ILE 32 -9.719 -2.490 -1.192 219 3HG2 ILE 32 HG23 ILE 32 -8.544 -1.251 -1.636 220 1HD1 ILE 32 HD11 ILE 32 -8.754 -2.850 0.769 221 2HD1 ILE 32 HD12 ILE 32 -10.321 -2.562 1.527 222 3HD1 ILE 32 HD13 ILE 32 -8.835 -2.261 2.427 223 H ASN 33 HN ASN 33 -12.553 1.271 -0.391 224 HA ASN 33 HA ASN 33 -12.484 3.658 1.107 225 1HB ASN 33 HB2 ASN 33 -14.441 2.896 -0.202 226 2HB ASN 33 HB1 ASN 33 -14.729 1.627 0.986 227 1HD2 ASN 33 HD21 ASN 33 -16.735 2.400 1.632 228 2HD2 ASN 33 HD22 ASN 33 -16.918 3.882 2.499 229 H LYS 34 HN LYS 34 -10.865 3.030 2.629 230 HA LYS 34 HA LYS 34 -11.712 2.828 5.213 231 1HB LYS 34 HB2 LYS 34 -12.333 0.466 4.700 232 2HB LYS 34 HB1 LYS 34 -10.668 0.141 4.251 233 1HG LYS 34 HG2 LYS 34 -10.022 0.767 6.593 234 2HG LYS 34 HG1 LYS 34 -11.740 0.882 6.968 235 1HD LYS 34 HD2 LYS 34 -10.294 -1.576 5.980 236 2HD LYS 34 HD1 LYS 34 -10.794 -1.268 7.642 237 1HE LYS 34 HE2 LYS 34 -13.157 -1.137 6.824 238 2HE LYS 34 HE1 LYS 34 -12.573 -1.657 5.241 239 1HZ LYS 34 HZ1 LYS 34 -11.750 -3.687 6.250 240 2HZ LYS 34 HZ2 LYS 34 -13.407 -3.505 6.529 241 3HZ LYS 34 HZ3 LYS 34 -12.306 -3.187 7.771 242 H SER 35 HN SER 35 -9.196 1.631 3.019 243 HA SER 35 HA SER 35 -7.137 3.272 4.263 244 1HB SER 35 HB2 SER 35 -6.970 0.236 4.351 245 2HB SER 35 HB1 SER 35 -5.718 1.362 4.875 246 HG SER 35 HG SER 35 -6.977 1.960 6.585 247 H CYS 36 HN CYS 36 -4.975 2.803 3.178 248 HA CYS 36 HA CYS 36 -5.373 2.378 0.309 249 1HB CYS 36 HB2 CYS 36 -2.836 3.144 1.758 250 2HB CYS 36 HB1 CYS 36 -3.159 3.208 0.029 251 H LYS 37 HN LYS 37 -5.473 0.223 -0.158 252 HA LYS 37 HA LYS 37 -4.070 -1.685 1.469 253 1HB LYS 37 HB2 LYS 37 -6.285 -2.180 0.596 254 2HB LYS 37 HB1 LYS 37 -5.680 -2.066 -1.051 255 1HG LYS 37 HG2 LYS 37 -4.254 -4.008 -0.690 256 2HG LYS 37 HG1 LYS 37 -4.768 -4.088 0.993 257 1HD LYS 37 HD2 LYS 37 -5.937 -5.740 -0.352 258 2HD LYS 37 HD1 LYS 37 -7.065 -4.533 0.267 259 1HE LYS 37 HE2 LYS 37 -7.109 -3.418 -1.877 260 2HE LYS 37 HE1 LYS 37 -5.865 -4.500 -2.506 261 1HZ LYS 37 HZ1 LYS 37 -8.062 -5.148 -3.239 262 2HZ LYS 37 HZ2 LYS 37 -8.594 -5.302 -1.642 263 3HZ LYS 37 HZ3 LYS 37 -7.404 -6.347 -2.243 264 H CYS 38 HN CYS 38 -1.967 -1.947 1.251 265 HA CYS 38 HA CYS 38 -0.596 -1.639 -1.290 266 1HB CYS 38 HB2 CYS 38 0.426 -2.600 1.392 267 2HB CYS 38 HB1 CYS 38 1.414 -2.176 -0.001 268 H TYR 39 HN TYR 39 0.451 -3.350 -2.390 269 HA TYR 39 HA TYR 39 -0.874 -5.939 -2.094 270 1HB TYR 39 HB2 TYR 39 1.291 -5.140 -4.058 271 2HB TYR 39 HB1 TYR 39 0.259 -6.561 -4.137 272 HD1 TYR 39 HD1 TYR 39 -2.159 -6.307 -4.720 273 HD2 TYR 39 HD2 TYR 39 0.524 -3.018 -4.854 274 HE1 TYR 39 HE1 TYR 39 -3.733 -5.067 -6.148 275 HE2 TYR 39 HE2 TYR 39 -1.014 -1.783 -6.284 276 HH TYR 39 HH TYR 39 -4.201 -2.600 -6.701 277 H GLY 40 HN GLY 40 1.348 -4.682 -0.246 278 1HA GLY 40 HA2 GLY 40 2.932 -5.608 1.112 279 2HA GLY 40 HA1 GLY 40 2.850 -7.107 0.191 280 H CYS 41 HN CYS 41 3.488 -6.664 -2.220 281 HA CYS 41 HA CYS 41 5.245 -4.629 -2.892 282 1HB CYS 41 HB2 CYS 41 6.719 -5.964 -1.248 283 2HB CYS 41 HB1 CYS 41 6.734 -7.234 -2.453 Start of MODEL 18 1 1H TRP 1 HT1 TRP 1 4.408 0.733 12.166 2 2H TRP 1 HT2 TRP 1 5.311 -0.661 11.751 3 3H TRP 1 HT3 TRP 1 4.209 0.007 10.632 4 HA TRP 1 HA TRP 1 6.695 1.203 11.649 5 1HB TRP 1 HB2 TRP 1 5.885 0.067 9.002 6 2HB TRP 1 HB1 TRP 1 7.266 1.132 9.150 7 HD1 TRP 1 HD1 TRP 1 6.395 -2.426 9.189 8 HE1 TRP 1 HE1 TRP 1 8.340 -3.827 10.125 9 HE3 TRP 1 HE3 TRP 1 9.194 1.334 11.229 10 HZ2 TRP 1 HZ2 TRP 1 10.739 -3.395 11.547 11 HZ3 TRP 1 HZ3 TRP 1 11.300 0.755 12.363 12 HH2 TRP 1 HH2 TRP 1 12.053 -1.560 12.518 13 H CYS 2 HN CYS 2 3.782 1.666 9.676 14 HA CYS 2 HA CYS 2 4.486 4.462 9.273 15 1HB CYS 2 HB2 CYS 2 2.436 4.564 7.904 16 2HB CYS 2 HB1 CYS 2 3.588 3.361 7.355 17 H SER 3 HN SER 3 4.282 5.533 11.164 18 HA SER 3 HA SER 3 2.132 5.111 13.005 19 1HB SER 3 HB2 SER 3 3.967 7.508 12.756 20 2HB SER 3 HB1 SER 3 3.036 7.021 14.175 21 HG SER 3 HG SER 3 5.232 6.350 14.286 22 H THR 4 HN THR 4 2.391 6.804 10.043 23 HA THR 4 HA THR 4 0.263 8.690 10.603 24 HB THR 4 HB THR 4 0.532 9.093 8.044 25 HG1 THR 4 HG1 THR 4 1.659 7.316 7.389 26 1HG2 THR 4 HG21 THR 4 2.867 9.609 9.883 27 2HG2 THR 4 HG22 THR 4 1.421 10.610 9.737 28 3HG2 THR 4 HG23 THR 4 2.523 10.449 8.371 29 H CYS 5 HN CYS 5 0.246 5.455 10.169 30 HA CYS 5 HA CYS 5 -1.982 5.312 8.320 31 1HB CYS 5 HB2 CYS 5 -0.475 3.227 9.890 32 2HB CYS 5 HB1 CYS 5 -1.904 2.849 8.946 33 H LEU 6 HN LEU 6 -2.880 6.945 10.101 34 HA LEU 6 HA LEU 6 -4.376 5.498 12.164 35 1HB LEU 6 HB2 LEU 6 -4.380 8.430 11.414 36 2HB LEU 6 HB1 LEU 6 -5.225 7.718 12.780 37 HG LEU 6 HG LEU 6 -2.223 7.811 12.432 38 1HD1 LEU 6 HD11 LEU 6 -2.281 9.456 14.232 39 2HD1 LEU 6 HD12 LEU 6 -4.044 9.390 14.252 40 3HD1 LEU 6 HD13 LEU 6 -3.198 10.018 12.836 41 1HD2 LEU 6 HD21 LEU 6 -2.903 5.862 13.701 42 2HD2 LEU 6 HD22 LEU 6 -3.938 6.856 14.726 43 3HD2 LEU 6 HD23 LEU 6 -2.187 7.055 14.778 44 H ASP 7 HN ASP 7 -5.031 7.759 9.507 45 HA ASP 7 HA ASP 7 -7.135 6.016 8.524 46 1HB ASP 7 HB2 ASP 7 -8.439 7.430 9.997 47 2HB ASP 7 HB1 ASP 7 -7.701 8.882 9.324 48 H LEU 8 HN LEU 8 -6.799 5.853 6.412 49 HA LEU 8 HA LEU 8 -5.934 8.212 4.887 50 1HB LEU 8 HB2 LEU 8 -4.227 6.886 3.702 51 2HB LEU 8 HB1 LEU 8 -3.843 7.177 5.383 52 HG LEU 8 HG LEU 8 -5.057 4.558 4.485 53 1HD1 LEU 8 HD11 LEU 8 -2.989 4.990 3.207 54 2HD1 LEU 8 HD12 LEU 8 -2.831 3.640 4.309 55 3HD1 LEU 8 HD13 LEU 8 -2.116 5.202 4.712 56 1HD2 LEU 8 HD21 LEU 8 -5.155 4.628 6.797 57 2HD2 LEU 8 HD22 LEU 8 -3.668 5.556 6.950 58 3HD2 LEU 8 HD23 LEU 8 -3.608 3.844 6.534 59 H ALA 9 HN ALA 9 -8.376 6.611 5.216 60 HA ALA 9 HA ALA 9 -8.816 4.858 3.106 61 1HB ALA 9 HB1 ALA 9 -10.815 6.616 4.525 62 2HB ALA 9 HB2 ALA 9 -10.253 5.035 5.067 63 3HB ALA 9 HB3 ALA 9 -11.183 5.174 3.575 64 H CYS 10 HN CYS 10 -7.896 5.747 1.257 65 HA CYS 10 HA CYS 10 -7.902 6.754 -0.731 66 1HB CYS 10 HB2 CYS 10 -10.775 7.311 0.010 67 2HB CYS 10 HB1 CYS 10 -10.088 7.909 -1.486 68 H THR 11 HN THR 11 -6.591 8.003 1.197 69 HA THR 11 HA THR 11 -7.226 10.856 0.973 70 HB THR 11 HB THR 11 -6.324 9.835 3.130 71 HG1 THR 11 HG1 THR 11 -4.795 11.946 1.939 72 1HG2 THR 11 HG21 THR 11 -4.601 8.411 1.861 73 2HG2 THR 11 HG22 THR 11 -4.081 9.219 3.336 74 3HG2 THR 11 HG23 THR 11 -3.650 9.895 1.770 75 H GLY 12 HN GLY 12 -6.250 8.746 -1.148 76 1HA GLY 12 HA2 GLY 12 -5.378 9.537 -3.229 77 2HA GLY 12 HA1 GLY 12 -4.159 10.432 -2.338 78 H SER 13 HN SER 13 -4.539 7.788 -4.187 79 HA SER 13 HA SER 13 -3.178 5.734 -2.819 80 1HB SER 13 HB2 SER 13 -2.536 5.043 -5.243 81 2HB SER 13 HB1 SER 13 -4.244 5.110 -4.814 82 HG SER 13 HG SER 13 -2.744 6.934 -6.355 83 H LYS 14 HN LYS 14 -2.044 8.492 -4.693 84 HA LYS 14 HA LYS 14 0.711 7.750 -4.550 85 1HB LYS 14 HB2 LYS 14 -0.669 10.311 -5.322 86 2HB LYS 14 HB1 LYS 14 1.074 10.066 -5.448 87 1HG LYS 14 HG2 LYS 14 0.851 8.411 -7.085 88 2HG LYS 14 HG1 LYS 14 -0.878 8.211 -6.787 89 1HD LYS 14 HD2 LYS 14 -1.299 10.440 -7.681 90 2HD LYS 14 HD1 LYS 14 0.432 10.664 -7.962 91 1HE LYS 14 HE2 LYS 14 0.481 8.962 -9.599 92 2HE LYS 14 HE1 LYS 14 -1.128 8.383 -9.166 93 1HZ LYS 14 HZ1 LYS 14 -1.173 9.654 -11.197 94 2HZ LYS 14 HZ2 LYS 14 -0.511 11.001 -10.421 95 3HZ LYS 14 HZ3 LYS 14 -2.055 10.451 -9.994 96 H ASP 15 HN ASP 15 -1.422 9.062 -2.302 97 HA ASP 15 HA ASP 15 0.667 10.352 -0.741 98 1HB ASP 15 HB2 ASP 15 -1.760 11.163 -0.733 99 2HB ASP 15 HB1 ASP 15 -2.151 9.710 0.182 100 H CYS 16 HN CYS 16 -1.440 7.519 -0.777 101 HA CYS 16 HA CYS 16 -0.540 6.292 1.578 102 1HB CYS 16 HB2 CYS 16 -1.655 5.012 -0.920 103 2HB CYS 16 HB1 CYS 16 -1.527 4.240 0.659 104 H TYR 17 HN TYR 17 0.934 6.541 -1.558 105 HA TYR 17 HA TYR 17 2.667 4.398 -1.605 106 1HB TYR 17 HB2 TYR 17 3.008 7.262 -2.453 107 2HB TYR 17 HB1 TYR 17 4.302 6.090 -2.682 108 HD1 TYR 17 HD1 TYR 17 3.466 7.398 -5.027 109 HD2 TYR 17 HD2 TYR 17 1.595 4.073 -3.137 110 HE1 TYR 17 HE1 TYR 17 2.491 6.704 -7.171 111 HE2 TYR 17 HE2 TYR 17 0.640 3.388 -5.258 112 HH TYR 17 HH TYR 17 1.592 4.053 -8.016 113 H ALA 18 HN ALA 18 2.920 7.347 0.308 114 HA ALA 18 HA ALA 18 5.530 6.760 1.269 115 1HB ALA 18 HB1 ALA 18 5.221 8.938 1.601 116 2HB ALA 18 HB2 ALA 18 4.577 8.445 3.163 117 3HB ALA 18 HB3 ALA 18 3.483 8.797 1.825 118 HA PRO 19 HA PRO 19 3.241 5.185 5.371 119 1HB PRO 19 HB2 PRO 19 0.673 4.379 4.050 120 2HB PRO 19 HB1 PRO 19 0.990 4.972 5.677 121 1HG PRO 19 HG2 PRO 19 -0.078 6.565 3.865 122 2HG PRO 19 HG1 PRO 19 1.117 7.171 5.028 123 1HD PRO 19 HD2 PRO 19 1.470 6.521 2.167 124 2HD PRO 19 HD1 PRO 19 2.178 7.795 3.111 125 H CYS 20 HN CYS 20 2.212 3.705 2.269 126 HA CYS 20 HA CYS 20 2.535 1.038 3.159 127 1HB CYS 20 HB2 CYS 20 2.491 2.241 0.390 128 2HB CYS 20 HB1 CYS 20 2.605 0.504 0.671 129 H ARG 21 HN ARG 21 4.734 3.233 1.434 130 HA ARG 21 HA ARG 21 6.863 1.388 1.131 131 1HB ARG 21 HB2 ARG 21 6.752 3.527 -0.060 132 2HB ARG 21 HB1 ARG 21 6.964 4.400 1.440 133 1HG ARG 21 HG2 ARG 21 9.189 3.393 1.696 134 2HG ARG 21 HG1 ARG 21 8.963 2.534 0.173 135 1HD ARG 21 HD2 ARG 21 8.726 4.690 -0.967 136 2HD ARG 21 HD1 ARG 21 9.027 5.524 0.551 137 HE ARG 21 HE ARG 21 11.237 4.263 0.531 138 1HH1 ARG 21 HH11 ARG 21 9.610 5.390 -2.382 139 2HH1 ARG 21 HH12 ARG 21 11.068 5.467 -3.286 140 1HH2 ARG 21 HH21 ARG 21 13.145 4.391 -0.700 141 2HH2 ARG 21 HH22 ARG 21 13.068 4.913 -2.350 142 H LYS 22 HN LYS 22 6.001 3.677 3.684 143 HA LYS 22 HA LYS 22 8.281 3.271 5.299 144 1HB LYS 22 HB2 LYS 22 6.660 5.184 5.416 145 2HB LYS 22 HB1 LYS 22 5.503 4.102 6.181 146 1HG LYS 22 HG2 LYS 22 7.027 3.778 8.054 147 2HG LYS 22 HG1 LYS 22 8.221 4.813 7.265 148 1HD LYS 22 HD2 LYS 22 6.538 6.663 7.311 149 2HD LYS 22 HD1 LYS 22 5.490 5.623 8.261 150 1HE LYS 22 HE2 LYS 22 6.669 7.095 9.739 151 2HE LYS 22 HE1 LYS 22 7.295 5.467 9.973 152 1HZ LYS 22 HZ1 LYS 22 9.014 7.223 9.855 153 2HZ LYS 22 HZ2 LYS 22 8.598 7.501 8.240 154 3HZ LYS 22 HZ3 LYS 22 9.224 6.000 8.710 155 H GLN 23 HN GLN 23 5.130 1.709 5.144 156 HA GLN 23 HA GLN 23 5.469 0.170 7.491 157 1HB GLN 23 HB2 GLN 23 3.286 0.801 6.712 158 2HB GLN 23 HB1 GLN 23 3.518 -0.099 5.238 159 1HG GLN 23 HG2 GLN 23 2.084 -1.298 6.768 160 2HG GLN 23 HG1 GLN 23 3.579 -2.184 6.500 161 1HE2 GLN 23 HE21 GLN 23 3.367 -3.349 8.421 162 2HE2 GLN 23 HE22 GLN 23 3.597 -2.607 9.964 163 H THR 24 HN THR 24 5.460 -0.757 4.048 164 HA THR 24 HA THR 24 6.606 -3.351 4.877 165 HB THR 24 HB THR 24 5.733 -4.180 2.712 166 HG1 THR 24 HG1 THR 24 4.339 -2.808 1.510 167 1HG2 THR 24 HG21 THR 24 4.420 -4.422 4.753 168 2HG2 THR 24 HG22 THR 24 3.401 -4.222 3.328 169 3HG2 THR 24 HG23 THR 24 3.650 -2.868 4.427 170 H GLY 25 HN GLY 25 7.340 -0.539 2.968 171 1HA GLY 25 HA2 GLY 25 9.670 -0.245 2.333 172 2HA GLY 25 HA1 GLY 25 9.727 -1.943 1.899 173 H CYS 26 HN CYS 26 7.092 -1.946 0.660 174 HA CYS 26 HA CYS 26 7.857 -0.695 -1.863 175 1HB CYS 26 HB2 CYS 26 5.725 -2.735 -1.319 176 2HB CYS 26 HB1 CYS 26 6.227 -2.162 -2.887 177 HA PRO 27 HA PRO 27 4.879 2.454 -0.862 178 1HB PRO 27 HB2 PRO 27 5.133 3.940 -3.111 179 2HB PRO 27 HB1 PRO 27 6.387 3.871 -1.883 180 1HG PRO 27 HG2 PRO 27 6.211 2.390 -4.468 181 2HG PRO 27 HG1 PRO 27 7.603 3.216 -3.742 182 1HD PRO 27 HD2 PRO 27 7.232 0.523 -3.599 183 2HD PRO 27 HD1 PRO 27 8.081 1.453 -2.348 184 H ASN 28 HN ASN 28 4.657 0.488 -3.744 185 HA ASN 28 HA ASN 28 2.476 1.571 -4.992 186 1HB ASN 28 HB2 ASN 28 3.151 -1.374 -4.850 187 2HB ASN 28 HB1 ASN 28 2.151 -0.597 -6.074 188 1HD2 ASN 28 HD21 ASN 28 3.125 0.848 -7.561 189 2HD2 ASN 28 HD22 ASN 28 4.820 0.747 -7.878 190 H ALA 29 HN ALA 29 0.408 1.818 -4.495 191 HA ALA 29 HA ALA 29 -1.031 -0.128 -2.896 192 1HB ALA 29 HB1 ALA 29 -1.500 1.227 -1.089 193 2HB ALA 29 HB2 ALA 29 -1.161 2.717 -1.971 194 3HB ALA 29 HB3 ALA 29 0.160 1.685 -1.454 195 H LYS 30 HN LYS 30 -3.316 0.557 -2.588 196 HA LYS 30 HA LYS 30 -4.389 2.488 -4.472 197 1HB LYS 30 HB2 LYS 30 -4.338 0.456 -5.854 198 2HB LYS 30 HB1 LYS 30 -5.176 -0.442 -4.592 199 1HG LYS 30 HG2 LYS 30 -7.078 1.258 -4.886 200 2HG LYS 30 HG1 LYS 30 -6.233 1.765 -6.344 201 1HD LYS 30 HD2 LYS 30 -7.175 -1.044 -5.756 202 2HD LYS 30 HD1 LYS 30 -8.043 0.130 -6.744 203 1HE LYS 30 HE2 LYS 30 -6.129 0.225 -8.291 204 2HE LYS 30 HE1 LYS 30 -5.308 -0.969 -7.294 205 1HZ LYS 30 HZ1 LYS 30 -7.866 -1.414 -8.703 206 2HZ LYS 30 HZ2 LYS 30 -7.041 -2.552 -7.757 207 3HZ LYS 30 HZ3 LYS 30 -6.354 -1.988 -9.195 208 H CYS 31 HN CYS 31 -6.271 3.383 -3.636 209 HA CYS 31 HA CYS 31 -6.973 2.462 -0.971 210 1HB CYS 31 HB2 CYS 31 -7.946 4.516 -0.589 211 2HB CYS 31 HB1 CYS 31 -6.647 4.926 -1.688 212 H ILE 32 HN ILE 32 -8.822 1.518 -0.396 213 HA ILE 32 HA ILE 32 -10.870 1.036 -2.482 214 HB ILE 32 HB ILE 32 -11.375 -1.088 -1.280 215 1HG1 ILE 32 HG12 ILE 32 -8.822 -0.457 0.218 216 2HG1 ILE 32 HG11 ILE 32 -10.432 -0.563 0.918 217 1HG2 ILE 32 HG21 ILE 32 -9.958 -1.012 -3.305 218 2HG2 ILE 32 HG22 ILE 32 -9.574 -2.362 -2.246 219 3HG2 ILE 32 HG23 ILE 32 -8.530 -0.940 -2.273 220 1HD1 ILE 32 HD11 ILE 32 -8.701 -2.750 -0.178 221 2HD1 ILE 32 HD12 ILE 32 -10.413 -2.977 0.185 222 3HD1 ILE 32 HD13 ILE 32 -9.289 -2.535 1.469 223 H ASN 33 HN ASN 33 -13.042 0.811 -1.626 224 HA ASN 33 HA ASN 33 -13.635 2.969 0.111 225 1HB ASN 33 HB2 ASN 33 -15.411 0.756 -0.936 226 2HB ASN 33 HB1 ASN 33 -15.999 2.187 -0.093 227 1HD2 ASN 33 HD21 ASN 33 -15.861 4.219 -1.129 228 2HD2 ASN 33 HD22 ASN 33 -15.645 4.323 -2.839 229 H LYS 34 HN LYS 34 -12.311 2.274 1.895 230 HA LYS 34 HA LYS 34 -13.623 1.546 4.166 231 1HB LYS 34 HB2 LYS 34 -13.932 -0.710 3.185 232 2HB LYS 34 HB1 LYS 34 -12.201 -0.846 2.952 233 1HG LYS 34 HG2 LYS 34 -12.956 -2.115 4.866 234 2HG LYS 34 HG1 LYS 34 -11.881 -0.813 5.372 235 1HD LYS 34 HD2 LYS 34 -13.808 0.534 6.040 236 2HD LYS 34 HD1 LYS 34 -14.903 -0.733 5.480 237 1HE LYS 34 HE2 LYS 34 -14.627 -0.797 7.898 238 2HE LYS 34 HE1 LYS 34 -13.993 -2.260 7.149 239 1HZ LYS 34 HZ1 LYS 34 -11.781 -1.489 7.448 240 2HZ LYS 34 HZ2 LYS 34 -12.576 -1.293 8.924 241 3HZ LYS 34 HZ3 LYS 34 -12.294 0.050 7.937 242 H SER 35 HN SER 35 -10.613 1.028 2.376 243 HA SER 35 HA SER 35 -9.053 2.505 4.316 244 1HB SER 35 HB2 SER 35 -7.546 0.512 4.749 245 2HB SER 35 HB1 SER 35 -9.145 0.404 5.482 246 HG SER 35 HG SER 35 -8.364 -1.513 4.316 247 H CYS 36 HN CYS 36 -6.763 2.696 3.598 248 HA CYS 36 HA CYS 36 -6.567 2.433 0.688 249 1HB CYS 36 HB2 CYS 36 -5.883 4.546 2.030 250 2HB CYS 36 HB1 CYS 36 -4.433 3.645 2.388 251 H LYS 37 HN LYS 37 -5.895 0.480 0.048 252 HA LYS 37 HA LYS 37 -4.237 -1.094 1.889 253 1HB LYS 37 HB2 LYS 37 -6.401 -1.983 1.119 254 2HB LYS 37 HB1 LYS 37 -5.818 -1.923 -0.536 255 1HG LYS 37 HG2 LYS 37 -4.011 -3.534 0.141 256 2HG LYS 37 HG1 LYS 37 -4.775 -3.634 1.718 257 1HD LYS 37 HD2 LYS 37 -5.483 -5.500 0.376 258 2HD LYS 37 HD1 LYS 37 -6.854 -4.418 0.626 259 1HE LYS 37 HE2 LYS 37 -6.787 -5.183 -1.666 260 2HE LYS 37 HE1 LYS 37 -6.470 -3.458 -1.623 261 1HZ LYS 37 HZ1 LYS 37 -4.161 -3.850 -1.964 262 2HZ LYS 37 HZ2 LYS 37 -4.997 -4.758 -3.114 263 3HZ LYS 37 HZ3 LYS 37 -4.334 -5.523 -1.760 264 H CYS 38 HN CYS 38 -2.253 -1.766 1.417 265 HA CYS 38 HA CYS 38 -0.903 -0.745 -0.932 266 1HB CYS 38 HB2 CYS 38 0.262 -2.646 1.085 267 2HB CYS 38 HB1 CYS 38 1.089 -1.443 0.097 268 H TYR 39 HN TYR 39 0.408 -2.228 -2.314 269 HA TYR 39 HA TYR 39 -1.253 -4.452 -3.166 270 1HB TYR 39 HB2 TYR 39 1.227 -3.142 -4.251 271 2HB TYR 39 HB1 TYR 39 0.709 -4.702 -4.878 272 HD1 TYR 39 HD1 TYR 39 -1.915 -4.793 -5.458 273 HD2 TYR 39 HD2 TYR 39 0.479 -1.296 -5.435 274 HE1 TYR 39 HE1 TYR 39 -3.478 -3.710 -7.009 275 HE2 TYR 39 HE2 TYR 39 -1.062 -0.194 -6.981 276 HH TYR 39 HH TYR 39 -3.354 -0.353 -7.738 277 H GLY 40 HN GLY 40 1.044 -4.189 -0.798 278 1HA GLY 40 HA2 GLY 40 1.611 -6.027 0.511 279 2HA GLY 40 HA1 GLY 40 1.508 -7.081 -0.887 280 H CYS 41 HN CYS 41 3.641 -6.587 1.137 281 HA CYS 41 HA CYS 41 5.874 -6.774 -0.614 282 1HB CYS 41 HB2 CYS 41 5.447 -4.315 -0.631 283 2HB CYS 41 HB1 CYS 41 5.766 -4.274 1.046 Start of MODEL 19 1 1H TRP 1 HT1 TRP 1 4.179 1.127 12.331 2 2H TRP 1 HT2 TRP 1 5.480 0.032 12.332 3 3H TRP 1 HT3 TRP 1 4.684 0.392 10.863 4 HA TRP 1 HA TRP 1 6.403 2.131 12.508 5 1HB TRP 1 HB2 TRP 1 6.654 1.526 9.557 6 2HB TRP 1 HB1 TRP 1 7.877 2.123 10.674 7 HD1 TRP 1 HD1 TRP 1 6.709 -0.987 9.064 8 HE1 TRP 1 HE1 TRP 1 7.893 -3.032 10.077 9 HE3 TRP 1 HE3 TRP 1 8.774 1.232 13.179 10 HZ2 TRP 1 HZ2 TRP 1 9.498 -3.626 12.328 11 HZ3 TRP 1 HZ3 TRP 1 10.123 -0.143 14.707 12 HH2 TRP 1 HH2 TRP 1 10.476 -2.520 14.290 13 H CYS 2 HN CYS 2 3.598 1.993 10.586 14 HA CYS 2 HA CYS 2 3.886 4.534 9.322 15 1HB CYS 2 HB2 CYS 2 2.627 2.693 8.306 16 2HB CYS 2 HB1 CYS 2 1.465 2.756 9.625 17 H SER 3 HN SER 3 4.009 6.214 10.672 18 HA SER 3 HA SER 3 2.169 6.457 12.939 19 1HB SER 3 HB2 SER 3 4.338 8.366 12.032 20 2HB SER 3 HB1 SER 3 3.543 8.302 13.608 21 HG SER 3 HG SER 3 4.617 6.451 14.081 22 H THR 4 HN THR 4 1.715 6.891 9.780 23 HA THR 4 HA THR 4 -0.154 9.081 10.161 24 HB THR 4 HB THR 4 1.898 9.185 7.912 25 HG1 THR 4 HG1 THR 4 1.842 10.654 10.372 26 1HG2 THR 4 HG21 THR 4 -0.179 10.307 7.377 27 2HG2 THR 4 HG22 THR 4 1.068 11.505 7.710 28 3HG2 THR 4 HG23 THR 4 -0.160 11.155 8.925 29 H CYS 5 HN CYS 5 -1.627 7.299 9.897 30 HA CYS 5 HA CYS 5 -2.608 7.142 7.261 31 1HB CYS 5 HB2 CYS 5 -2.453 4.572 7.089 32 2HB CYS 5 HB1 CYS 5 -1.041 5.529 6.693 33 H LEU 6 HN LEU 6 -3.987 8.071 9.162 34 HA LEU 6 HA LEU 6 -5.382 6.057 10.697 35 1HB LEU 6 HB2 LEU 6 -4.807 8.323 11.564 36 2HB LEU 6 HB1 LEU 6 -5.960 9.020 10.453 37 HG LEU 6 HG LEU 6 -7.779 7.773 11.585 38 1HD1 LEU 6 HD11 LEU 6 -6.566 5.863 12.402 39 2HD1 LEU 6 HD12 LEU 6 -7.270 6.709 13.771 40 3HD1 LEU 6 HD13 LEU 6 -5.550 6.884 13.419 41 1HD2 LEU 6 HD21 LEU 6 -7.790 9.096 13.635 42 2HD2 LEU 6 HD22 LEU 6 -7.234 10.060 12.268 43 3HD2 LEU 6 HD23 LEU 6 -6.069 9.437 13.439 44 H ASP 7 HN ASP 7 -6.795 8.700 8.709 45 HA ASP 7 HA ASP 7 -8.714 6.713 7.641 46 1HB ASP 7 HB2 ASP 7 -9.258 9.567 8.489 47 2HB ASP 7 HB1 ASP 7 -10.408 8.530 7.651 48 H LEU 8 HN LEU 8 -7.164 6.579 5.856 49 HA LEU 8 HA LEU 8 -7.316 8.900 4.055 50 1HB LEU 8 HB2 LEU 8 -5.448 6.562 4.137 51 2HB LEU 8 HB1 LEU 8 -5.577 7.593 2.724 52 HG LEU 8 HG LEU 8 -4.980 9.537 4.259 53 1HD1 LEU 8 HD11 LEU 8 -4.331 7.232 6.080 54 2HD1 LEU 8 HD12 LEU 8 -5.349 8.632 6.409 55 3HD1 LEU 8 HD13 LEU 8 -3.609 8.834 6.253 56 1HD2 LEU 8 HD21 LEU 8 -2.939 7.362 3.802 57 2HD2 LEU 8 HD22 LEU 8 -2.597 9.071 4.079 58 3HD2 LEU 8 HD23 LEU 8 -3.449 8.570 2.620 59 H ALA 9 HN ALA 9 -9.623 7.391 4.433 60 HA ALA 9 HA ALA 9 -10.053 5.231 2.760 61 1HB ALA 9 HB1 ALA 9 -12.035 7.374 3.534 62 2HB ALA 9 HB2 ALA 9 -11.612 5.959 4.496 63 3HB ALA 9 HB3 ALA 9 -12.425 5.755 2.946 64 H CYS 10 HN CYS 10 -8.882 5.704 0.839 65 HA CYS 10 HA CYS 10 -8.555 6.430 -1.227 66 1HB CYS 10 HB2 CYS 10 -11.524 6.412 -1.069 67 2HB CYS 10 HB1 CYS 10 -10.808 7.219 -2.456 68 H THR 11 HN THR 11 -7.757 8.116 0.556 69 HA THR 11 HA THR 11 -8.652 10.787 -0.187 70 HB THR 11 HB THR 11 -6.258 9.938 1.490 71 HG1 THR 11 HG1 THR 11 -7.867 10.668 3.200 72 1HG2 THR 11 HG21 THR 11 -6.000 12.208 0.736 73 2HG2 THR 11 HG22 THR 11 -6.501 12.235 2.423 74 3HG2 THR 11 HG23 THR 11 -7.671 12.590 1.154 75 H GLY 12 HN GLY 12 -6.593 8.362 -1.350 76 1HA GLY 12 HA2 GLY 12 -5.983 9.227 -3.728 77 2HA GLY 12 HA1 GLY 12 -4.837 10.191 -2.805 78 H SER 13 HN SER 13 -4.955 7.526 -4.617 79 HA SER 13 HA SER 13 -3.767 5.501 -3.103 80 1HB SER 13 HB2 SER 13 -3.314 6.131 -6.029 81 2HB SER 13 HB1 SER 13 -3.012 4.583 -5.243 82 HG SER 13 HG SER 13 -5.090 4.837 -6.374 83 H LYS 14 HN LYS 14 -2.293 8.257 -4.787 84 HA LYS 14 HA LYS 14 0.372 7.432 -4.180 85 1HB LYS 14 HB2 LYS 14 -0.677 10.054 -5.174 86 2HB LYS 14 HB1 LYS 14 1.031 9.629 -5.061 87 1HG LYS 14 HG2 LYS 14 0.625 7.749 -6.606 88 2HG LYS 14 HG1 LYS 14 -1.048 8.286 -6.777 89 1HD LYS 14 HD2 LYS 14 -0.276 10.417 -7.683 90 2HD LYS 14 HD1 LYS 14 1.402 9.903 -7.485 91 1HE LYS 14 HE2 LYS 14 -0.658 8.583 -9.255 92 2HE LYS 14 HE1 LYS 14 0.651 9.634 -9.793 93 1HZ LYS 14 HZ1 LYS 14 0.872 6.939 -8.588 94 2HZ LYS 14 HZ2 LYS 14 2.204 7.972 -8.752 95 3HZ LYS 14 HZ3 LYS 14 1.369 7.440 -10.122 96 H ASP 15 HN ASP 15 -2.065 8.979 -2.434 97 HA ASP 15 HA ASP 15 -0.297 10.261 -0.536 98 1HB ASP 15 HB2 ASP 15 -2.726 10.978 -1.063 99 2HB ASP 15 HB1 ASP 15 -3.228 9.594 -0.103 100 H CYS 16 HN CYS 16 -1.897 7.243 -1.125 101 HA CYS 16 HA CYS 16 -1.379 6.087 1.463 102 1HB CYS 16 HB2 CYS 16 -2.192 4.773 -1.138 103 2HB CYS 16 HB1 CYS 16 -2.220 4.049 0.444 104 H TYR 17 HN TYR 17 0.317 6.496 -1.524 105 HA TYR 17 HA TYR 17 2.126 4.435 -1.660 106 1HB TYR 17 HB2 TYR 17 2.346 7.366 -2.207 107 2HB TYR 17 HB1 TYR 17 3.806 6.411 -2.246 108 HD1 TYR 17 HD1 TYR 17 4.183 6.948 -4.568 109 HD2 TYR 17 HD2 TYR 17 0.629 4.941 -3.375 110 HE1 TYR 17 HE1 TYR 17 3.729 6.356 -6.902 111 HE2 TYR 17 HE2 TYR 17 0.163 4.353 -5.703 112 HH TYR 17 HH TYR 17 2.005 4.127 -7.946 113 H ALA 18 HN ALA 18 2.516 7.409 0.269 114 HA ALA 18 HA ALA 18 4.976 6.792 1.375 115 1HB ALA 18 HB1 ALA 18 2.838 8.711 1.999 116 2HB ALA 18 HB2 ALA 18 4.571 8.938 1.823 117 3HB ALA 18 HB3 ALA 18 3.920 8.339 3.343 118 HA PRO 19 HA PRO 19 2.729 4.938 5.367 119 1HB PRO 19 HB2 PRO 19 0.239 4.045 3.964 120 2HB PRO 19 HB1 PRO 19 0.462 4.570 5.613 121 1HG PRO 19 HG2 PRO 19 -0.647 6.179 3.846 122 2HG PRO 19 HG1 PRO 19 0.494 6.821 5.041 123 1HD PRO 19 HD2 PRO 19 0.913 6.284 2.162 124 2HD PRO 19 HD1 PRO 19 1.541 7.560 3.167 125 H CYS 20 HN CYS 20 1.779 3.504 2.217 126 HA CYS 20 HA CYS 20 2.299 0.842 3.049 127 1HB CYS 20 HB2 CYS 20 1.959 2.128 0.352 128 2HB CYS 20 HB1 CYS 20 2.347 0.415 0.492 129 H ARG 21 HN ARG 21 4.315 3.271 1.484 130 HA ARG 21 HA ARG 21 6.493 1.511 0.940 131 1HB ARG 21 HB2 ARG 21 6.035 3.823 -0.060 132 2HB ARG 21 HB1 ARG 21 6.709 4.492 1.421 133 1HG ARG 21 HG2 ARG 21 8.822 3.357 0.977 134 2HG ARG 21 HG1 ARG 21 8.140 2.640 -0.486 135 1HD ARG 21 HD2 ARG 21 7.682 5.030 -1.254 136 2HD ARG 21 HD1 ARG 21 8.703 5.523 0.096 137 HE ARG 21 HE ARG 21 9.916 3.583 -1.664 138 1HH1 ARG 21 HH11 ARG 21 9.415 7.014 -1.063 139 2HH1 ARG 21 HH12 ARG 21 10.774 7.479 -2.011 140 1HH2 ARG 21 HH21 ARG 21 11.679 4.233 -2.922 141 2HH2 ARG 21 HH22 ARG 21 12.058 5.917 -3.070 142 H LYS 22 HN LYS 22 5.586 3.612 3.611 143 HA LYS 22 HA LYS 22 7.851 3.381 5.240 144 1HB LYS 22 HB2 LYS 22 6.144 4.991 5.741 145 2HB LYS 22 HB1 LYS 22 4.924 3.759 5.838 146 1HG LYS 22 HG2 LYS 22 5.388 4.464 8.027 147 2HG LYS 22 HG1 LYS 22 6.022 2.840 7.866 148 1HD LYS 22 HD2 LYS 22 7.592 4.223 9.070 149 2HD LYS 22 HD1 LYS 22 8.275 3.801 7.500 150 1HE LYS 22 HE2 LYS 22 7.750 5.976 6.626 151 2HE LYS 22 HE1 LYS 22 6.851 6.401 8.084 152 1HZ LYS 22 HZ1 LYS 22 9.040 7.383 8.071 153 2HZ LYS 22 HZ2 LYS 22 9.766 5.863 7.929 154 3HZ LYS 22 HZ3 LYS 22 8.911 6.267 9.335 155 H GLN 23 HN GLN 23 4.941 1.359 5.011 156 HA GLN 23 HA GLN 23 5.798 -0.418 7.092 157 1HB GLN 23 HB2 GLN 23 3.567 -0.535 5.066 158 2HB GLN 23 HB1 GLN 23 3.833 -1.810 6.249 159 1HG GLN 23 HG2 GLN 23 3.276 1.078 6.889 160 2HG GLN 23 HG1 GLN 23 2.098 -0.233 6.933 161 1HE2 GLN 23 HE21 GLN 23 2.221 -1.777 8.589 162 2HE2 GLN 23 HE22 GLN 23 3.166 -1.499 10.008 163 H THR 24 HN THR 24 5.433 -0.880 3.559 164 HA THR 24 HA THR 24 6.704 -3.479 3.824 165 HB THR 24 HB THR 24 6.140 -3.770 1.460 166 HG1 THR 24 HG1 THR 24 5.337 -2.130 0.244 167 1HG2 THR 24 HG21 THR 24 3.870 -2.625 3.053 168 2HG2 THR 24 HG22 THR 24 4.450 -4.291 3.112 169 3HG2 THR 24 HG23 THR 24 3.722 -3.662 1.634 170 H GLY 25 HN GLY 25 7.458 -0.369 2.284 171 1HA GLY 25 HA2 GLY 25 9.825 0.237 2.070 172 2HA GLY 25 HA1 GLY 25 10.158 -1.430 1.631 173 H CYS 26 HN CYS 26 7.390 -1.222 0.176 174 HA CYS 26 HA CYS 26 8.498 -0.019 -2.260 175 1HB CYS 26 HB2 CYS 26 6.626 -2.337 -1.890 176 2HB CYS 26 HB1 CYS 26 6.875 -1.565 -3.439 177 HA PRO 27 HA PRO 27 5.163 2.864 -1.894 178 1HB PRO 27 HB2 PRO 27 5.504 4.216 -4.182 179 2HB PRO 27 HB1 PRO 27 6.726 4.227 -2.915 180 1HG PRO 27 HG2 PRO 27 6.658 2.636 -5.439 181 2HG PRO 27 HG1 PRO 27 8.014 3.503 -4.698 182 1HD PRO 27 HD2 PRO 27 7.572 0.789 -4.457 183 2HD PRO 27 HD1 PRO 27 8.518 1.769 -3.318 184 H ASN 28 HN ASN 28 4.709 0.114 -3.435 185 HA ASN 28 HA ASN 28 2.730 0.841 -5.390 186 1HB ASN 28 HB2 ASN 28 3.407 -1.847 -4.178 187 2HB ASN 28 HB1 ASN 28 2.341 -1.586 -5.557 188 1HD2 ASN 28 HD21 ASN 28 4.827 -3.136 -5.345 189 2HD2 ASN 28 HD22 ASN 28 5.873 -2.472 -6.548 190 H ALA 29 HN ALA 29 1.004 1.870 -4.503 191 HA ALA 29 HA ALA 29 -0.597 0.364 -2.538 192 1HB ALA 29 HB1 ALA 29 0.833 2.054 -1.385 193 2HB ALA 29 HB2 ALA 29 -0.897 2.260 -1.142 194 3HB ALA 29 HB3 ALA 29 -0.028 3.309 -2.254 195 H LYS 30 HN LYS 30 -2.788 0.934 -2.474 196 HA LYS 30 HA LYS 30 -3.835 2.903 -4.315 197 1HB LYS 30 HB2 LYS 30 -3.615 0.687 -5.608 198 2HB LYS 30 HB1 LYS 30 -4.901 0.079 -4.575 199 1HG LYS 30 HG2 LYS 30 -6.297 2.012 -5.376 200 2HG LYS 30 HG1 LYS 30 -5.000 2.403 -6.491 201 1HD LYS 30 HD2 LYS 30 -6.457 1.155 -7.785 202 2HD LYS 30 HD1 LYS 30 -5.238 -0.028 -7.315 203 1HE LYS 30 HE2 LYS 30 -7.396 -1.024 -7.074 204 2HE LYS 30 HE1 LYS 30 -6.754 -0.738 -5.458 205 1HZ LYS 30 HZ1 LYS 30 -8.177 1.111 -5.176 206 2HZ LYS 30 HZ2 LYS 30 -9.138 -0.121 -5.812 207 3HZ LYS 30 HZ3 LYS 30 -8.622 1.142 -6.810 208 H CYS 31 HN CYS 31 -6.113 3.347 -3.835 209 HA CYS 31 HA CYS 31 -6.637 2.722 -1.023 210 1HB CYS 31 HB2 CYS 31 -8.058 4.569 -0.988 211 2HB CYS 31 HB1 CYS 31 -6.639 5.082 -1.886 212 H ILE 32 HN ILE 32 -8.545 1.913 -0.274 213 HA ILE 32 HA ILE 32 -10.551 0.997 -2.235 214 HB ILE 32 HB ILE 32 -11.107 -0.893 -0.734 215 1HG1 ILE 32 HG12 ILE 32 -8.507 -0.222 0.676 216 2HG1 ILE 32 HG11 ILE 32 -10.107 0.046 1.349 217 1HG2 ILE 32 HG21 ILE 32 -9.681 -1.220 -2.706 218 2HG2 ILE 32 HG22 ILE 32 -9.305 -2.357 -1.417 219 3HG2 ILE 32 HG23 ILE 32 -8.252 -0.971 -1.703 220 1HD1 ILE 32 HD11 ILE 32 -8.828 -2.589 0.717 221 2HD1 ILE 32 HD12 ILE 32 -10.519 -2.398 1.183 222 3HD1 ILE 32 HD13 ILE 32 -9.237 -1.932 2.300 223 H ASN 33 HN ASN 33 -12.699 0.798 -1.164 224 HA ASN 33 HA ASN 33 -13.295 3.314 -0.051 225 1HB ASN 33 HB2 ASN 33 -15.638 2.534 0.006 226 2HB ASN 33 HB1 ASN 33 -14.847 2.230 -1.532 227 1HD2 ASN 33 HD21 ASN 33 -17.196 0.973 -0.314 228 2HD2 ASN 33 HD22 ASN 33 -16.836 -0.716 -0.267 229 H LYS 34 HN LYS 34 -11.725 2.817 1.782 230 HA LYS 34 HA LYS 34 -13.004 3.137 4.160 231 1HB LYS 34 HB2 LYS 34 -13.606 0.757 4.137 232 2HB LYS 34 HB1 LYS 34 -11.917 0.319 3.906 233 1HG LYS 34 HG2 LYS 34 -11.500 1.541 6.132 234 2HG LYS 34 HG1 LYS 34 -13.249 1.514 6.317 235 1HD LYS 34 HD2 LYS 34 -13.277 -0.869 6.332 236 2HD LYS 34 HD1 LYS 34 -11.574 -0.951 5.865 237 1HE LYS 34 HE2 LYS 34 -10.979 0.194 7.980 238 2HE LYS 34 HE1 LYS 34 -12.679 0.148 8.448 239 1HZ LYS 34 HZ1 LYS 34 -10.959 -2.215 7.930 240 2HZ LYS 34 HZ2 LYS 34 -12.590 -2.263 8.384 241 3HZ LYS 34 HZ3 LYS 34 -11.433 -1.643 9.449 242 H SER 35 HN SER 35 -10.134 1.776 2.598 243 HA SER 35 HA SER 35 -8.368 3.509 4.121 244 1HB SER 35 HB2 SER 35 -7.115 1.511 5.039 245 2HB SER 35 HB1 SER 35 -8.716 1.753 5.729 246 HG SER 35 HG SER 35 -9.490 0.058 4.575 247 H CYS 36 HN CYS 36 -5.991 2.674 3.670 248 HA CYS 36 HA CYS 36 -5.748 2.391 0.762 249 1HB CYS 36 HB2 CYS 36 -3.626 2.904 2.846 250 2HB CYS 36 HB1 CYS 36 -3.437 2.964 1.106 251 H LYS 37 HN LYS 37 -4.931 0.573 -0.199 252 HA LYS 37 HA LYS 37 -4.041 -1.599 1.600 253 1HB LYS 37 HB2 LYS 37 -4.735 -3.183 -0.011 254 2HB LYS 37 HB1 LYS 37 -6.097 -2.145 0.344 255 1HG LYS 37 HG2 LYS 37 -5.922 -1.004 -1.715 256 2HG LYS 37 HG1 LYS 37 -4.365 -1.732 -2.089 257 1HD LYS 37 HD2 LYS 37 -6.996 -3.185 -1.888 258 2HD LYS 37 HD1 LYS 37 -6.132 -2.780 -3.373 259 1HE LYS 37 HE2 LYS 37 -4.228 -4.167 -2.598 260 2HE LYS 37 HE1 LYS 37 -5.175 -4.634 -1.188 261 1HZ LYS 37 HZ1 LYS 37 -5.910 -5.183 -4.001 262 2HZ LYS 37 HZ2 LYS 37 -6.814 -5.623 -2.637 263 3HZ LYS 37 HZ3 LYS 37 -5.286 -6.299 -2.893 264 H CYS 38 HN CYS 38 -2.157 -2.635 1.135 265 HA CYS 38 HA CYS 38 -0.383 -1.239 -0.768 266 1HB CYS 38 HB2 CYS 38 0.384 -3.112 1.484 267 2HB CYS 38 HB1 CYS 38 1.426 -2.009 0.587 268 H TYR 39 HN TYR 39 0.781 -2.391 -2.287 269 HA TYR 39 HA TYR 39 -0.413 -4.891 -3.146 270 1HB TYR 39 HB2 TYR 39 1.919 -3.322 -4.238 271 2HB TYR 39 HB1 TYR 39 1.254 -4.749 -4.998 272 HD1 TYR 39 HD1 TYR 39 0.790 -3.624 -7.071 273 HD2 TYR 39 HD2 TYR 39 -0.933 -2.177 -3.457 274 HE1 TYR 39 HE1 TYR 39 -0.746 -2.201 -8.352 275 HE2 TYR 39 HE2 TYR 39 -2.446 -0.783 -4.711 276 HH TYR 39 HH TYR 39 -2.164 0.276 -7.434 277 H GLY 40 HN GLY 40 2.226 -3.915 -1.196 278 1HA GLY 40 HA2 GLY 40 3.266 -5.557 0.197 279 2HA GLY 40 HA1 GLY 40 3.266 -6.680 -1.153 280 H CYS 41 HN CYS 41 5.569 -6.844 -0.638 281 HA CYS 41 HA CYS 41 7.136 -5.289 -2.426 282 1HB CYS 41 HB2 CYS 41 6.872 -3.665 -0.504 283 2HB CYS 41 HB1 CYS 41 7.721 -4.807 0.511 Start of MODEL 20 1 1H TRP 1 HT1 TRP 1 3.860 3.875 15.634 2 2H TRP 1 HT2 TRP 1 2.532 4.483 14.728 3 3H TRP 1 HT3 TRP 1 3.699 5.560 15.387 4 HA TRP 1 HA TRP 1 5.387 4.655 14.004 5 1HB TRP 1 HB2 TRP 1 4.331 2.384 13.887 6 2HB TRP 1 HB1 TRP 1 3.159 2.992 12.750 7 HD1 TRP 1 HD1 TRP 1 4.281 3.914 10.325 8 HE1 TRP 1 HE1 TRP 1 6.262 2.920 9.022 9 HE3 TRP 1 HE3 TRP 1 6.446 1.210 14.081 10 HZ2 TRP 1 HZ2 TRP 1 8.455 1.216 9.518 11 HZ3 TRP 1 HZ3 TRP 1 8.483 -0.076 13.584 12 HH2 TRP 1 HH2 TRP 1 9.465 -0.073 11.349 13 H CYS 2 HN CYS 2 2.424 4.477 12.118 14 HA CYS 2 HA CYS 2 3.079 6.997 10.796 15 1HB CYS 2 HB2 CYS 2 1.228 6.291 9.264 16 2HB CYS 2 HB1 CYS 2 2.645 5.258 9.255 17 H SER 3 HN SER 3 2.031 8.814 11.354 18 HA SER 3 HA SER 3 -0.143 8.736 13.277 19 1HB SER 3 HB2 SER 3 0.852 11.153 11.749 20 2HB SER 3 HB1 SER 3 0.043 11.103 13.319 21 HG SER 3 HG SER 3 1.876 10.334 14.245 22 H THR 4 HN THR 4 0.329 9.262 9.845 23 HA THR 4 HA THR 4 -2.552 8.943 9.435 24 HB THR 4 HB THR 4 -0.865 11.018 7.996 25 HG1 THR 4 HG1 THR 4 -1.905 12.499 9.229 26 1HG2 THR 4 HG21 THR 4 -2.465 11.135 6.466 27 2HG2 THR 4 HG22 THR 4 -3.712 11.285 7.697 28 3HG2 THR 4 HG23 THR 4 -3.214 9.694 7.143 29 H CYS 5 HN CYS 5 -2.495 6.934 8.555 30 HA CYS 5 HA CYS 5 -0.885 6.580 6.109 31 1HB CYS 5 HB2 CYS 5 -0.317 4.247 6.945 32 2HB CYS 5 HB1 CYS 5 0.514 5.585 7.690 33 H LEU 6 HN LEU 6 -3.167 4.766 8.153 34 HA LEU 6 HA LEU 6 -4.466 3.730 5.772 35 1HB LEU 6 HB2 LEU 6 -5.650 2.258 7.153 36 2HB LEU 6 HB1 LEU 6 -3.999 2.248 7.736 37 HG LEU 6 HG LEU 6 -6.234 3.804 9.063 38 1HD1 LEU 6 HD11 LEU 6 -6.694 1.412 9.123 39 2HD1 LEU 6 HD12 LEU 6 -6.278 2.033 10.718 40 3HD1 LEU 6 HD13 LEU 6 -5.088 1.116 9.792 41 1HD2 LEU 6 HD21 LEU 6 -4.609 3.705 11.002 42 2HD2 LEU 6 HD22 LEU 6 -4.156 4.761 9.680 43 3HD2 LEU 6 HD23 LEU 6 -3.395 3.175 9.844 44 H ASP 7 HN ASP 7 -4.489 6.525 7.310 45 HA ASP 7 HA ASP 7 -7.327 6.956 7.624 46 1HB ASP 7 HB2 ASP 7 -5.129 9.025 7.811 47 2HB ASP 7 HB1 ASP 7 -6.722 9.045 8.560 48 H LEU 8 HN LEU 8 -5.265 6.844 5.066 49 HA LEU 8 HA LEU 8 -6.230 9.170 3.663 50 1HB LEU 8 HB2 LEU 8 -4.299 6.963 2.964 51 2HB LEU 8 HB1 LEU 8 -4.801 8.157 1.787 52 HG LEU 8 HG LEU 8 -2.742 8.919 2.534 53 1HD1 LEU 8 HD11 LEU 8 -3.202 11.017 3.605 54 2HD1 LEU 8 HD12 LEU 8 -4.762 10.449 4.176 55 3HD1 LEU 8 HD13 LEU 8 -4.467 10.659 2.461 56 1HD2 LEU 8 HD21 LEU 8 -3.658 8.450 5.368 57 2HD2 LEU 8 HD22 LEU 8 -2.137 9.195 4.892 58 3HD2 LEU 8 HD23 LEU 8 -2.461 7.524 4.473 59 H ALA 9 HN ALA 9 -8.416 7.857 4.203 60 HA ALA 9 HA ALA 9 -9.225 5.749 2.648 61 1HB ALA 9 HB1 ALA 9 -10.490 6.595 4.555 62 2HB ALA 9 HB2 ALA 9 -11.512 6.434 3.128 63 3HB ALA 9 HB3 ALA 9 -10.930 8.026 3.624 64 H CYS 10 HN CYS 10 -8.282 6.082 0.585 65 HA CYS 10 HA CYS 10 -8.132 6.765 -1.523 66 1HB CYS 10 HB2 CYS 10 -11.094 7.057 -1.055 67 2HB CYS 10 HB1 CYS 10 -10.390 7.440 -2.625 68 H THR 11 HN THR 11 -7.110 8.497 0.134 69 HA THR 11 HA THR 11 -8.000 11.176 -0.654 70 HB THR 11 HB THR 11 -5.528 10.418 0.933 71 HG1 THR 11 HG1 THR 11 -6.912 10.892 2.780 72 1HG2 THR 11 HG21 THR 11 -7.111 12.980 0.662 73 2HG2 THR 11 HG22 THR 11 -5.450 12.690 0.145 74 3HG2 THR 11 HG23 THR 11 -5.845 12.715 1.860 75 H GLY 12 HN GLY 12 -6.056 8.644 -1.751 76 1HA GLY 12 HA2 GLY 12 -5.372 9.328 -4.142 77 2HA GLY 12 HA1 GLY 12 -4.257 10.378 -3.280 78 H SER 13 HN SER 13 -4.348 7.582 -4.862 79 HA SER 13 HA SER 13 -3.044 5.698 -3.245 80 1HB SER 13 HB2 SER 13 -2.378 6.094 -6.171 81 2HB SER 13 HB1 SER 13 -2.480 4.597 -5.255 82 HG SER 13 HG SER 13 -4.482 6.070 -6.464 83 H LYS 14 HN LYS 14 -1.792 8.296 -5.299 84 HA LYS 14 HA LYS 14 0.916 7.859 -4.854 85 1HB LYS 14 HB2 LYS 14 1.278 10.109 -5.732 86 2HB LYS 14 HB1 LYS 14 0.131 9.187 -6.689 87 1HG LYS 14 HG2 LYS 14 -1.728 10.382 -5.593 88 2HG LYS 14 HG1 LYS 14 -0.557 11.310 -4.660 89 1HD LYS 14 HD2 LYS 14 -1.334 12.601 -6.558 90 2HD LYS 14 HD1 LYS 14 0.379 12.217 -6.742 91 1HE LYS 14 HE2 LYS 14 -0.231 10.355 -8.250 92 2HE LYS 14 HE1 LYS 14 -1.928 10.794 -8.073 93 1HZ LYS 14 HZ1 LYS 14 -1.423 12.934 -9.073 94 2HZ LYS 14 HZ2 LYS 14 -0.971 11.667 -10.098 95 3HZ LYS 14 HZ3 LYS 14 0.210 12.504 -9.224 96 H ASP 15 HN ASP 15 -1.457 9.424 -2.893 97 HA ASP 15 HA ASP 15 0.421 10.844 -1.260 98 1HB ASP 15 HB2 ASP 15 -2.076 11.386 -1.557 99 2HB ASP 15 HB1 ASP 15 -2.394 10.067 -0.434 100 H CYS 16 HN CYS 16 -1.395 7.815 -1.036 101 HA CYS 16 HA CYS 16 -0.334 7.221 1.569 102 1HB CYS 16 HB2 CYS 16 -2.612 6.573 0.870 103 2HB CYS 16 HB1 CYS 16 -1.919 5.458 -0.303 104 H TYR 17 HN TYR 17 0.949 6.889 -1.547 105 HA TYR 17 HA TYR 17 2.351 4.517 -1.574 106 1HB TYR 17 HB2 TYR 17 3.128 7.309 -2.400 107 2HB TYR 17 HB1 TYR 17 4.269 5.983 -2.577 108 HD1 TYR 17 HD1 TYR 17 3.582 7.518 -4.881 109 HD2 TYR 17 HD2 TYR 17 1.516 4.181 -3.217 110 HE1 TYR 17 HE1 TYR 17 2.652 6.987 -7.086 111 HE2 TYR 17 HE2 TYR 17 0.586 3.655 -5.406 112 HH TYR 17 HH TYR 17 0.222 5.492 -7.746 113 H ALA 18 HN ALA 18 3.383 7.519 0.026 114 HA ALA 18 HA ALA 18 5.778 6.468 1.015 115 1HB ALA 18 HB1 ALA 18 5.280 8.455 2.793 116 2HB ALA 18 HB2 ALA 18 4.204 8.906 1.471 117 3HB ALA 18 HB3 ALA 18 5.920 8.680 1.170 118 HA PRO 19 HA PRO 19 3.531 5.772 5.363 119 1HB PRO 19 HB2 PRO 19 0.768 5.320 4.296 120 2HB PRO 19 HB1 PRO 19 1.308 6.036 5.813 121 1HG PRO 19 HG2 PRO 19 0.403 7.566 3.854 122 2HG PRO 19 HG1 PRO 19 1.771 8.082 4.859 123 1HD PRO 19 HD2 PRO 19 1.778 7.025 2.090 124 2HD PRO 19 HD1 PRO 19 2.771 8.257 2.821 125 H CYS 20 HN CYS 20 2.010 4.210 2.532 126 HA CYS 20 HA CYS 20 1.895 1.617 3.633 127 1HB CYS 20 HB2 CYS 20 0.588 2.123 1.682 128 2HB CYS 20 HB1 CYS 20 2.024 2.557 0.764 129 H ARG 21 HN ARG 21 4.326 3.197 1.585 130 HA ARG 21 HA ARG 21 6.036 0.969 1.351 131 1HB ARG 21 HB2 ARG 21 6.020 3.074 -0.050 132 2HB ARG 21 HB1 ARG 21 6.870 3.877 1.265 133 1HG ARG 21 HG2 ARG 21 8.705 2.257 1.027 134 2HG ARG 21 HG1 ARG 21 7.839 1.491 -0.308 135 1HD ARG 21 HD2 ARG 21 7.856 3.681 -1.491 136 2HD ARG 21 HD1 ARG 21 8.855 4.310 -0.189 137 HE ARG 21 HE ARG 21 9.687 2.029 -1.885 138 1HH1 ARG 21 HH11 ARG 21 10.403 5.126 -0.368 139 2HH1 ARG 21 HH12 ARG 21 11.984 5.202 -1.032 140 1HH2 ARG 21 HH21 ARG 21 11.788 2.165 -2.748 141 2HH2 ARG 21 HH22 ARG 21 12.782 3.535 -2.378 142 H LYS 22 HN LYS 22 5.912 3.619 3.700 143 HA LYS 22 HA LYS 22 8.334 2.998 5.010 144 1HB LYS 22 HB2 LYS 22 6.945 5.133 5.191 145 2HB LYS 22 HB1 LYS 22 5.918 4.265 6.327 146 1HG LYS 22 HG2 LYS 22 7.901 3.877 7.758 147 2HG LYS 22 HG1 LYS 22 8.869 4.823 6.622 148 1HD LYS 22 HD2 LYS 22 7.224 6.723 7.026 149 2HD LYS 22 HD1 LYS 22 6.586 5.753 8.357 150 1HE LYS 22 HE2 LYS 22 9.422 6.741 8.059 151 2HE LYS 22 HE1 LYS 22 8.204 7.384 9.157 152 1HZ LYS 22 HZ1 LYS 22 9.634 5.950 10.371 153 2HZ LYS 22 HZ2 LYS 22 9.454 4.694 9.258 154 3HZ LYS 22 HZ3 LYS 22 8.146 5.159 10.228 155 H GLN 23 HN GLN 23 4.997 1.887 5.501 156 HA GLN 23 HA GLN 23 5.667 0.391 7.873 157 1HB GLN 23 HB2 GLN 23 3.218 0.350 6.108 158 2HB GLN 23 HB1 GLN 23 3.378 -0.565 7.605 159 1HG GLN 23 HG2 GLN 23 3.717 1.584 8.805 160 2HG GLN 23 HG1 GLN 23 3.364 2.431 7.305 161 1HE2 GLN 23 HE21 GLN 23 1.248 2.310 6.438 162 2HE2 GLN 23 HE22 GLN 23 -0.085 1.852 7.437 163 H THR 24 HN THR 24 4.709 -0.590 4.559 164 HA THR 24 HA THR 24 5.448 -3.332 5.215 165 HB THR 24 HB THR 24 4.439 -3.912 3.041 166 HG1 THR 24 HG1 THR 24 3.712 -2.346 1.666 167 1HG2 THR 24 HG21 THR 24 2.740 -2.015 4.664 168 2HG2 THR 24 HG22 THR 24 2.987 -3.731 4.996 169 3HG2 THR 24 HG23 THR 24 2.148 -3.228 3.529 170 H GLY 25 HN GLY 25 6.492 -0.803 2.956 171 1HA GLY 25 HA2 GLY 25 8.864 -0.784 2.310 172 2HA GLY 25 HA1 GLY 25 8.787 -2.532 2.200 173 H CYS 26 HN CYS 26 5.910 -2.017 1.114 174 HA CYS 26 HA CYS 26 6.747 -2.073 -1.640 175 1HB CYS 26 HB2 CYS 26 5.040 -3.647 -0.728 176 2HB CYS 26 HB1 CYS 26 3.980 -2.303 -0.486 177 HA PRO 27 HA PRO 27 5.582 2.251 -2.154 178 1HB PRO 27 HB2 PRO 27 6.567 2.596 -4.613 179 2HB PRO 27 HB1 PRO 27 7.633 2.328 -3.231 180 1HG PRO 27 HG2 PRO 27 6.752 0.392 -5.330 181 2HG PRO 27 HG1 PRO 27 8.358 0.617 -4.614 182 1HD PRO 27 HD2 PRO 27 6.536 -1.329 -3.851 183 2HD PRO 27 HD1 PRO 27 7.883 -0.741 -2.855 184 H ASN 28 HN ASN 28 3.935 -0.325 -3.262 185 HA ASN 28 HA ASN 28 2.252 1.235 -5.072 186 1HB ASN 28 HB2 ASN 28 2.773 -1.739 -5.034 187 2HB ASN 28 HB1 ASN 28 1.521 -0.978 -5.994 188 1HD2 ASN 28 HD21 ASN 28 3.243 1.405 -6.553 189 2HD2 ASN 28 HD22 ASN 28 4.366 0.836 -7.711 190 H ALA 29 HN ALA 29 0.543 1.941 -4.081 191 HA ALA 29 HA ALA 29 -0.982 0.072 -2.381 192 1HB ALA 29 HB1 ALA 29 -1.094 1.475 -0.635 193 2HB ALA 29 HB2 ALA 29 -0.980 2.943 -1.608 194 3HB ALA 29 HB3 ALA 29 0.467 2.005 -1.240 195 H LYS 30 HN LYS 30 -3.129 0.098 -2.717 196 HA LYS 30 HA LYS 30 -4.293 2.231 -4.397 197 1HB LYS 30 HB2 LYS 30 -3.678 0.109 -5.682 198 2HB LYS 30 HB1 LYS 30 -4.908 -0.723 -4.748 199 1HG LYS 30 HG2 LYS 30 -5.509 1.731 -6.391 200 2HG LYS 30 HG1 LYS 30 -5.509 0.106 -7.078 201 1HD LYS 30 HD2 LYS 30 -7.206 -0.563 -5.403 202 2HD LYS 30 HD1 LYS 30 -7.254 1.091 -4.824 203 1HE LYS 30 HE2 LYS 30 -7.907 0.239 -7.624 204 2HE LYS 30 HE1 LYS 30 -9.082 0.593 -6.360 205 1HZ LYS 30 HZ1 LYS 30 -8.131 2.860 -6.243 206 2HZ LYS 30 HZ2 LYS 30 -8.843 2.497 -7.731 207 3HZ LYS 30 HZ3 LYS 30 -7.162 2.491 -7.582 208 H CYS 31 HN CYS 31 -6.152 2.996 -3.547 209 HA CYS 31 HA CYS 31 -6.958 1.876 -1.027 210 1HB CYS 31 HB2 CYS 31 -8.244 3.853 -0.699 211 2HB CYS 31 HB1 CYS 31 -6.689 4.307 -1.374 212 H ILE 32 HN ILE 32 -8.487 0.426 -0.744 213 HA ILE 32 HA ILE 32 -10.859 0.453 -2.495 214 HB ILE 32 HB ILE 32 -10.967 -2.015 -2.381 215 1HG1 ILE 32 HG12 ILE 32 -8.118 -1.892 -1.384 216 2HG1 ILE 32 HG11 ILE 32 -9.479 -2.232 -0.338 217 1HG2 ILE 32 HG21 ILE 32 -8.437 -0.990 -3.657 218 2HG2 ILE 32 HG22 ILE 32 -10.053 -0.913 -4.358 219 3HG2 ILE 32 HG23 ILE 32 -9.289 -2.476 -4.079 220 1HD1 ILE 32 HD11 ILE 32 -8.207 -3.925 -2.374 221 2HD1 ILE 32 HD12 ILE 32 -9.945 -4.109 -2.123 222 3HD1 ILE 32 HD13 ILE 32 -8.831 -4.325 -0.778 223 H ASN 33 HN ASN 33 -12.759 0.126 -1.431 224 HA ASN 33 HA ASN 33 -14.181 0.331 0.323 225 1HB ASN 33 HB2 ASN 33 -12.353 -1.801 1.463 226 2HB ASN 33 HB1 ASN 33 -13.933 -1.387 2.123 227 1HD2 ASN 33 HD21 ASN 33 -15.795 -2.028 1.017 228 2HD2 ASN 33 HD22 ASN 33 -15.732 -3.179 -0.269 229 H LYS 34 HN LYS 34 -12.495 2.375 0.279 230 HA LYS 34 HA LYS 34 -11.772 4.139 1.476 231 1HB LYS 34 HB2 LYS 34 -12.420 2.595 3.983 232 2HB LYS 34 HB1 LYS 34 -12.099 4.316 3.864 233 1HG LYS 34 HG2 LYS 34 -14.141 4.499 2.412 234 2HG LYS 34 HG1 LYS 34 -14.491 2.817 2.822 235 1HD LYS 34 HD2 LYS 34 -14.284 5.154 4.716 236 2HD LYS 34 HD1 LYS 34 -15.739 4.251 4.295 237 1HE LYS 34 HE2 LYS 34 -13.345 3.128 5.774 238 2HE LYS 34 HE1 LYS 34 -14.862 3.630 6.490 239 1HZ LYS 34 HZ1 LYS 34 -14.525 1.421 4.545 240 2HZ LYS 34 HZ2 LYS 34 -16.006 1.944 5.177 241 3HZ LYS 34 HZ3 LYS 34 -14.840 1.272 6.199 242 H SER 35 HN SER 35 -10.587 0.966 2.310 243 HA SER 35 HA SER 35 -8.394 1.889 3.830 244 1HB SER 35 HB2 SER 35 -9.512 -0.257 4.239 245 2HB SER 35 HB1 SER 35 -8.962 -0.851 2.674 246 HG SER 35 HG SER 35 -7.635 -1.455 4.515 247 H CYS 36 HN CYS 36 -6.470 2.533 3.131 248 HA CYS 36 HA CYS 36 -5.560 2.329 0.419 249 1HB CYS 36 HB2 CYS 36 -4.722 4.088 1.862 250 2HB CYS 36 HB1 CYS 36 -4.100 2.901 3.003 251 H LYS 37 HN LYS 37 -5.465 0.248 -0.318 252 HA LYS 37 HA LYS 37 -4.391 -1.836 1.424 253 1HB LYS 37 HB2 LYS 37 -6.415 -1.730 -0.482 254 2HB LYS 37 HB1 LYS 37 -5.185 -2.686 -1.261 255 1HG LYS 37 HG2 LYS 37 -6.263 -3.212 1.510 256 2HG LYS 37 HG1 LYS 37 -6.896 -3.956 0.048 257 1HD LYS 37 HD2 LYS 37 -4.025 -4.177 0.956 258 2HD LYS 37 HD1 LYS 37 -5.277 -5.372 1.300 259 1HE LYS 37 HE2 LYS 37 -5.618 -5.715 -1.099 260 2HE LYS 37 HE1 LYS 37 -4.369 -4.525 -1.454 261 1HZ LYS 37 HZ1 LYS 37 -3.470 -6.715 -1.616 262 2HZ LYS 37 HZ2 LYS 37 -3.979 -7.105 -0.052 263 3HZ LYS 37 HZ3 LYS 37 -2.771 -5.943 -0.284 264 H CYS 38 HN CYS 38 -2.389 -2.525 1.303 265 HA CYS 38 HA CYS 38 -0.654 -1.642 -0.880 266 1HB CYS 38 HB2 CYS 38 -0.056 -3.153 1.677 267 2HB CYS 38 HB1 CYS 38 1.150 -2.585 0.527 268 H TYR 39 HN TYR 39 0.395 -3.074 -2.268 269 HA TYR 39 HA TYR 39 -1.102 -5.479 -2.778 270 1HB TYR 39 HB2 TYR 39 1.232 -4.168 -4.161 271 2HB TYR 39 HB1 TYR 39 0.582 -5.716 -4.693 272 HD1 TYR 39 HD1 TYR 39 -1.747 -5.865 -5.534 273 HD2 TYR 39 HD2 TYR 39 0.069 -2.123 -4.657 274 HE1 TYR 39 HE1 TYR 39 -3.479 -4.721 -6.842 275 HE2 TYR 39 HE2 TYR 39 -1.661 -0.964 -5.955 276 HH TYR 39 HH TYR 39 -3.398 -2.118 -8.136 277 H GLY 40 HN GLY 40 1.268 -4.963 -0.585 278 1HA GLY 40 HA2 GLY 40 2.480 -6.375 0.684 279 2HA GLY 40 HA1 GLY 40 1.705 -7.711 -0.155 280 H CYS 41 HN CYS 41 4.484 -5.620 -0.039 281 HA CYS 41 HA CYS 41 5.770 -7.276 -2.135 282 1HB CYS 41 HB2 CYS 41 6.303 -4.340 -1.750 283 2HB CYS 41 HB1 CYS 41 6.781 -5.372 -3.053 Start of MODEL 21 1 1H TRP 1 HT1 TRP 1 6.558 0.099 11.986 2 2H TRP 1 HT2 TRP 1 6.488 1.391 10.855 3 3H TRP 1 HT3 TRP 1 6.695 -0.212 10.305 4 HA TRP 1 HA TRP 1 4.503 0.410 9.901 5 1HB TRP 1 HB2 TRP 1 4.593 -1.341 12.376 6 2HB TRP 1 HB1 TRP 1 3.303 -1.290 11.178 7 HD1 TRP 1 HD1 TRP 1 4.164 -2.056 8.573 8 HE1 TRP 1 HE1 TRP 1 5.720 -4.012 7.967 9 HE3 TRP 1 HE3 TRP 1 6.413 -2.756 13.114 10 HZ2 TRP 1 HZ2 TRP 1 7.634 -5.641 9.235 11 HZ3 TRP 1 HZ3 TRP 1 8.095 -4.538 13.332 12 HH2 TRP 1 HH2 TRP 1 8.689 -5.953 11.433 13 H CYS 2 HN CYS 2 3.156 2.055 10.269 14 HA CYS 2 HA CYS 2 3.160 3.407 12.847 15 1HB CYS 2 HB2 CYS 2 3.371 4.741 10.817 16 2HB CYS 2 HB1 CYS 2 1.842 4.126 10.236 17 H SER 3 HN SER 3 1.758 2.766 14.348 18 HA SER 3 HA SER 3 -0.461 1.064 13.701 19 1HB SER 3 HB2 SER 3 -0.851 1.228 16.221 20 2HB SER 3 HB1 SER 3 0.698 0.570 15.694 21 HG SER 3 HG SER 3 1.703 2.262 16.497 22 H THR 4 HN THR 4 -0.135 4.405 13.693 23 HA THR 4 HA THR 4 -3.027 4.775 14.065 24 HB THR 4 HB THR 4 -2.215 7.259 14.471 25 HG1 THR 4 HG1 THR 4 -0.147 7.438 15.165 26 1HG2 THR 4 HG21 THR 4 -3.367 5.891 16.131 27 2HG2 THR 4 HG22 THR 4 -2.064 6.833 16.855 28 3HG2 THR 4 HG23 THR 4 -1.841 5.110 16.553 29 H CYS 5 HN CYS 5 -1.310 4.100 11.635 30 HA CYS 5 HA CYS 5 -2.209 6.365 9.960 31 1HB CYS 5 HB2 CYS 5 0.227 4.638 9.584 32 2HB CYS 5 HB1 CYS 5 -0.305 5.901 8.498 33 H LEU 6 HN LEU 6 -4.008 4.398 10.432 34 HA LEU 6 HA LEU 6 -3.921 2.762 7.964 35 1HB LEU 6 HB2 LEU 6 -5.378 2.304 10.570 36 2HB LEU 6 HB1 LEU 6 -5.705 1.390 9.113 37 HG LEU 6 HG LEU 6 -4.328 0.014 10.412 38 1HD1 LEU 6 HD11 LEU 6 -3.718 0.204 8.004 39 2HD1 LEU 6 HD12 LEU 6 -2.410 -0.337 9.052 40 3HD1 LEU 6 HD13 LEU 6 -2.433 1.323 8.467 41 1HD2 LEU 6 HD21 LEU 6 -2.291 2.214 10.727 42 2HD2 LEU 6 HD22 LEU 6 -2.321 0.637 11.501 43 3HD2 LEU 6 HD23 LEU 6 -3.524 1.847 11.933 44 H ASP 7 HN ASP 7 -5.200 5.545 9.197 45 HA ASP 7 HA ASP 7 -7.842 5.177 7.987 46 1HB ASP 7 HB2 ASP 7 -6.715 7.310 9.806 47 2HB ASP 7 HB1 ASP 7 -8.343 7.351 9.133 48 H LEU 8 HN LEU 8 -6.225 5.208 5.943 49 HA LEU 8 HA LEU 8 -6.229 7.987 4.920 50 1HB LEU 8 HB2 LEU 8 -4.645 5.570 4.049 51 2HB LEU 8 HB1 LEU 8 -4.751 7.046 3.109 52 HG LEU 8 HG LEU 8 -3.808 8.246 5.172 53 1HD1 LEU 8 HD11 LEU 8 -3.185 5.388 5.901 54 2HD1 LEU 8 HD12 LEU 8 -4.078 6.574 6.850 55 3HD1 LEU 8 HD13 LEU 8 -2.356 6.786 6.585 56 1HD2 LEU 8 HD21 LEU 8 -2.069 6.273 3.693 57 2HD2 LEU 8 HD22 LEU 8 -1.528 7.737 4.518 58 3HD2 LEU 8 HD23 LEU 8 -2.563 7.859 3.099 59 H ALA 9 HN ALA 9 -8.639 6.836 5.108 60 HA ALA 9 HA ALA 9 -9.540 5.124 3.178 61 1HB ALA 9 HB1 ALA 9 -11.778 6.015 3.633 62 2HB ALA 9 HB2 ALA 9 -11.054 7.414 4.426 63 3HB ALA 9 HB3 ALA 9 -10.849 5.805 5.116 64 H CYS 10 HN CYS 10 -8.451 5.644 1.229 65 HA CYS 10 HA CYS 10 -8.161 6.546 -0.781 66 1HB CYS 10 HB2 CYS 10 -11.069 7.198 -0.337 67 2HB CYS 10 HB1 CYS 10 -10.257 7.689 -1.819 68 H THR 11 HN THR 11 -6.935 7.905 1.046 69 HA THR 11 HA THR 11 -7.451 10.759 0.730 70 HB THR 11 HB THR 11 -4.915 9.443 1.791 71 HG1 THR 11 HG1 THR 11 -7.296 10.113 3.246 72 1HG2 THR 11 HG21 THR 11 -5.712 11.843 3.129 73 2HG2 THR 11 HG22 THR 11 -5.673 12.156 1.396 74 3HG2 THR 11 HG23 THR 11 -4.248 11.518 2.210 75 H GLY 12 HN GLY 12 -6.174 8.223 -1.057 76 1HA GLY 12 HA2 GLY 12 -5.776 8.874 -3.380 77 2HA GLY 12 HA1 GLY 12 -4.600 10.032 -2.774 78 H SER 13 HN SER 13 -4.587 7.347 -4.417 79 HA SER 13 HA SER 13 -2.956 5.577 -2.923 80 1HB SER 13 HB2 SER 13 -2.252 4.813 -5.309 81 2HB SER 13 HB1 SER 13 -3.931 4.626 -4.814 82 HG SER 13 HG SER 13 -2.812 6.540 -6.552 83 H LYS 14 HN LYS 14 -2.239 8.267 -5.080 84 HA LYS 14 HA LYS 14 0.542 8.240 -5.096 85 1HB LYS 14 HB2 LYS 14 0.346 10.737 -5.346 86 2HB LYS 14 HB1 LYS 14 -0.574 9.780 -6.495 87 1HG LYS 14 HG2 LYS 14 -2.618 10.161 -5.248 88 2HG LYS 14 HG1 LYS 14 -1.731 11.046 -4.025 89 1HD LYS 14 HD2 LYS 14 -1.807 11.857 -6.926 90 2HD LYS 14 HD1 LYS 14 -2.977 12.419 -5.733 91 1HE LYS 14 HE2 LYS 14 0.002 12.783 -5.417 92 2HE LYS 14 HE1 LYS 14 -1.055 13.964 -6.175 93 1HZ LYS 14 HZ1 LYS 14 -1.170 13.023 -3.370 94 2HZ LYS 14 HZ2 LYS 14 -2.358 14.001 -4.074 95 3HZ LYS 14 HZ3 LYS 14 -0.773 14.569 -3.918 96 H ASP 15 HN ASP 15 -1.701 9.339 -2.648 97 HA ASP 15 HA ASP 15 0.347 10.472 -0.965 98 1HB ASP 15 HB2 ASP 15 -2.629 10.048 -0.720 99 2HB ASP 15 HB1 ASP 15 -1.676 10.551 0.673 100 H CYS 16 HN CYS 16 -1.604 7.528 -1.055 101 HA CYS 16 HA CYS 16 -0.768 6.450 1.406 102 1HB CYS 16 HB2 CYS 16 -1.763 5.136 -1.123 103 2HB CYS 16 HB1 CYS 16 -1.436 4.238 0.353 104 H TYR 17 HN TYR 17 0.793 6.566 -1.731 105 HA TYR 17 HA TYR 17 2.534 4.406 -1.481 106 1HB TYR 17 HB2 TYR 17 2.974 7.066 -2.850 107 2HB TYR 17 HB1 TYR 17 4.023 5.667 -3.062 108 HD1 TYR 17 HD1 TYR 17 2.512 7.156 -5.255 109 HD2 TYR 17 HD2 TYR 17 1.534 3.681 -2.982 110 HE1 TYR 17 HE1 TYR 17 1.075 6.352 -7.078 111 HE2 TYR 17 HE2 TYR 17 0.114 2.905 -4.795 112 HH TYR 17 HH TYR 17 -1.093 4.665 -7.108 113 H ALA 18 HN ALA 18 2.786 7.609 -0.062 114 HA ALA 18 HA ALA 18 5.518 7.454 0.612 115 1HB ALA 18 HB1 ALA 18 5.088 9.578 1.007 116 2HB ALA 18 HB2 ALA 18 4.338 9.120 2.532 117 3HB ALA 18 HB3 ALA 18 3.354 9.302 1.083 118 HA PRO 19 HA PRO 19 4.392 6.011 5.015 119 1HB PRO 19 HB2 PRO 19 1.553 5.340 5.177 120 2HB PRO 19 HB1 PRO 19 2.478 6.521 6.107 121 1HG PRO 19 HG2 PRO 19 0.586 7.214 4.294 122 2HG PRO 19 HG1 PRO 19 1.986 8.234 4.674 123 1HD PRO 19 HD2 PRO 19 1.571 6.378 2.401 124 2HD PRO 19 HD1 PRO 19 2.223 7.999 2.388 125 H CYS 20 HN CYS 20 2.626 4.569 2.347 126 HA CYS 20 HA CYS 20 2.526 1.916 3.281 127 1HB CYS 20 HB2 CYS 20 1.280 2.799 1.304 128 2HB CYS 20 HB1 CYS 20 2.791 2.865 0.408 129 H ARG 21 HN ARG 21 4.817 3.522 1.049 130 HA ARG 21 HA ARG 21 6.639 1.386 0.934 131 1HB ARG 21 HB2 ARG 21 6.544 3.376 -0.590 132 2HB ARG 21 HB1 ARG 21 7.286 4.340 0.666 133 1HG ARG 21 HG2 ARG 21 8.600 1.859 -0.407 134 2HG ARG 21 HG1 ARG 21 8.763 3.410 -1.208 135 1HD ARG 21 HD2 ARG 21 9.763 4.383 0.734 136 2HD ARG 21 HD1 ARG 21 9.476 2.940 1.674 137 HE ARG 21 HE ARG 21 11.071 2.406 -0.622 138 1HH1 ARG 21 HH11 ARG 21 11.172 3.667 2.659 139 2HH1 ARG 21 HH12 ARG 21 12.827 3.244 2.880 140 1HH2 ARG 21 HH21 ARG 21 13.250 1.873 -0.311 141 2HH2 ARG 21 HH22 ARG 21 14.016 2.232 1.201 142 H LYS 22 HN LYS 22 6.446 4.187 3.109 143 HA LYS 22 HA LYS 22 8.854 3.752 4.458 144 1HB LYS 22 HB2 LYS 22 7.334 5.809 4.525 145 2HB LYS 22 HB1 LYS 22 6.372 4.946 5.713 146 1HG LYS 22 HG2 LYS 22 7.846 6.393 6.884 147 2HG LYS 22 HG1 LYS 22 8.419 4.740 7.126 148 1HD LYS 22 HD2 LYS 22 10.064 5.117 5.275 149 2HD LYS 22 HD1 LYS 22 9.523 6.792 5.204 150 1HE LYS 22 HE2 LYS 22 11.528 6.686 6.490 151 2HE LYS 22 HE1 LYS 22 10.196 7.033 7.590 152 1HZ LYS 22 HZ1 LYS 22 11.765 5.353 8.428 153 2HZ LYS 22 HZ2 LYS 22 11.350 4.326 7.151 154 3HZ LYS 22 HZ3 LYS 22 10.188 4.760 8.303 155 H GLN 23 HN GLN 23 5.666 2.330 4.950 156 HA GLN 23 HA GLN 23 6.516 1.039 7.433 157 1HB GLN 23 HB2 GLN 23 3.896 0.997 5.934 158 2HB GLN 23 HB1 GLN 23 4.185 0.151 7.451 159 1HG GLN 23 HG2 GLN 23 4.529 2.212 8.605 160 2HG GLN 23 HG1 GLN 23 4.418 3.135 7.116 161 1HE2 GLN 23 HE21 GLN 23 2.369 3.378 6.130 162 2HE2 GLN 23 HE22 GLN 23 0.917 3.073 6.990 163 H THR 24 HN THR 24 5.027 -0.082 4.387 164 HA THR 24 HA THR 24 5.853 -2.782 5.056 165 HB THR 24 HB THR 24 3.535 -2.319 4.320 166 HG1 THR 24 HG1 THR 24 3.568 -4.303 3.591 167 1HG2 THR 24 HG21 THR 24 4.911 -1.267 1.883 168 2HG2 THR 24 HG22 THR 24 3.458 -0.740 2.719 169 3HG2 THR 24 HG23 THR 24 3.403 -2.156 1.687 170 H GLY 25 HN GLY 25 7.318 -0.301 3.326 171 1HA GLY 25 HA2 GLY 25 9.433 -0.578 2.416 172 2HA GLY 25 HA1 GLY 25 9.118 -2.278 2.138 173 H CYS 26 HN CYS 26 6.704 -2.034 0.661 174 HA CYS 26 HA CYS 26 7.815 -0.954 -1.815 175 1HB CYS 26 HB2 CYS 26 5.882 -3.153 -1.260 176 2HB CYS 26 HB1 CYS 26 5.950 -2.430 -2.846 177 HA PRO 27 HA PRO 27 4.659 2.192 -1.717 178 1HB PRO 27 HB2 PRO 27 5.369 3.493 -3.918 179 2HB PRO 27 HB1 PRO 27 6.516 3.346 -2.590 180 1HG PRO 27 HG2 PRO 27 6.315 1.635 -5.052 181 2HG PRO 27 HG1 PRO 27 7.733 2.491 -4.410 182 1HD PRO 27 HD2 PRO 27 7.258 -0.130 -3.895 183 2HD PRO 27 HD1 PRO 27 8.076 0.947 -2.742 184 H ASN 28 HN ASN 28 3.831 -0.464 -2.809 185 HA ASN 28 HA ASN 28 2.107 0.430 -5.027 186 1HB ASN 28 HB2 ASN 28 3.221 -2.262 -4.294 187 2HB ASN 28 HB1 ASN 28 1.740 -2.144 -5.225 188 1HD2 ASN 28 HD21 ASN 28 4.215 0.289 -5.636 189 2HD2 ASN 28 HD22 ASN 28 4.700 -0.240 -7.165 190 H ALA 29 HN ALA 29 0.377 1.272 -4.088 191 HA ALA 29 HA ALA 29 -1.297 -0.466 -2.431 192 1HB ALA 29 HB1 ALA 29 -1.282 0.832 -0.619 193 2HB ALA 29 HB2 ALA 29 -1.351 2.328 -1.544 194 3HB ALA 29 HB3 ALA 29 0.188 1.533 -1.275 195 H LYS 30 HN LYS 30 -3.515 0.029 -2.515 196 HA LYS 30 HA LYS 30 -4.381 2.138 -4.366 197 1HB LYS 30 HB2 LYS 30 -4.011 -0.006 -5.659 198 2HB LYS 30 HB1 LYS 30 -5.274 -0.745 -4.680 199 1HG LYS 30 HG2 LYS 30 -6.842 1.009 -5.509 200 2HG LYS 30 HG1 LYS 30 -5.547 1.585 -6.564 201 1HD LYS 30 HD2 LYS 30 -5.448 -0.760 -7.515 202 2HD LYS 30 HD1 LYS 30 -6.921 -1.099 -6.599 203 1HE LYS 30 HE2 LYS 30 -7.509 -0.532 -8.857 204 2HE LYS 30 HE1 LYS 30 -8.034 0.773 -7.794 205 1HZ LYS 30 HZ1 LYS 30 -5.471 0.829 -9.302 206 2HZ LYS 30 HZ2 LYS 30 -6.222 2.107 -8.484 207 3HZ LYS 30 HZ3 LYS 30 -6.917 1.482 -9.887 208 H CYS 31 HN CYS 31 -6.364 3.003 -3.772 209 HA CYS 31 HA CYS 31 -7.498 1.876 -1.336 210 1HB CYS 31 HB2 CYS 31 -8.314 3.925 -0.773 211 2HB CYS 31 HB1 CYS 31 -6.901 4.389 -1.690 212 H ILE 32 HN ILE 32 -9.134 0.583 -1.396 213 HA ILE 32 HA ILE 32 -11.186 0.945 -3.465 214 HB ILE 32 HB ILE 32 -11.266 -1.766 -3.160 215 1HG1 ILE 32 HG12 ILE 32 -8.898 -2.566 -3.516 216 2HG1 ILE 32 HG11 ILE 32 -8.329 -0.994 -2.989 217 1HG2 ILE 32 HG21 ILE 32 -11.373 -0.537 -5.249 218 2HG2 ILE 32 HG22 ILE 32 -10.268 -1.904 -5.367 219 3HG2 ILE 32 HG23 ILE 32 -9.631 -0.268 -5.195 220 1HD1 ILE 32 HD11 ILE 32 -8.252 -2.752 -1.260 221 2HD1 ILE 32 HD12 ILE 32 -10.009 -2.863 -1.330 222 3HD1 ILE 32 HD13 ILE 32 -9.241 -1.383 -0.790 223 H ASN 33 HN ASN 33 -13.194 0.931 -2.700 224 HA ASN 33 HA ASN 33 -14.914 0.923 -1.235 225 1HB ASN 33 HB2 ASN 33 -13.388 -1.366 0.042 226 2HB ASN 33 HB1 ASN 33 -15.025 -0.901 0.466 227 1HD2 ASN 33 HD21 ASN 33 -16.712 -1.315 -0.986 228 2HD2 ASN 33 HD22 ASN 33 -16.512 -2.430 -2.290 229 H LYS 34 HN LYS 34 -12.755 2.701 -0.861 230 HA LYS 34 HA LYS 34 -12.015 4.262 0.548 231 1HB LYS 34 HB2 LYS 34 -14.105 3.125 2.411 232 2HB LYS 34 HB1 LYS 34 -13.141 4.533 2.791 233 1HG LYS 34 HG2 LYS 34 -15.010 4.283 0.448 234 2HG LYS 34 HG1 LYS 34 -15.346 5.125 1.963 235 1HD LYS 34 HD2 LYS 34 -13.489 6.662 1.523 236 2HD LYS 34 HD1 LYS 34 -13.143 5.824 0.011 237 1HE LYS 34 HE2 LYS 34 -14.404 7.824 -0.435 238 2HE LYS 34 HE1 LYS 34 -15.374 6.405 -0.821 239 1HZ LYS 34 HZ1 LYS 34 -16.573 8.184 0.394 240 2HZ LYS 34 HZ2 LYS 34 -15.590 7.904 1.740 241 3HZ LYS 34 HZ3 LYS 34 -16.619 6.685 1.172 242 H SER 35 HN SER 35 -11.113 1.290 0.669 243 HA SER 35 HA SER 35 -9.480 1.579 3.098 244 1HB SER 35 HB2 SER 35 -10.839 -0.440 3.139 245 2HB SER 35 HB1 SER 35 -10.238 -0.910 1.553 246 HG SER 35 HG SER 35 -9.181 -1.899 3.428 247 H CYS 36 HN CYS 36 -7.560 2.470 2.540 248 HA CYS 36 HA CYS 36 -6.441 2.003 -0.095 249 1HB CYS 36 HB2 CYS 36 -6.291 4.193 1.336 250 2HB CYS 36 HB1 CYS 36 -4.912 3.388 2.075 251 H LYS 37 HN LYS 37 -5.944 -0.103 -0.265 252 HA LYS 37 HA LYS 37 -4.462 -1.368 1.913 253 1HB LYS 37 HB2 LYS 37 -6.503 -2.408 0.959 254 2HB LYS 37 HB1 LYS 37 -5.659 -2.588 -0.569 255 1HG LYS 37 HG2 LYS 37 -3.942 -3.976 0.699 256 2HG LYS 37 HG1 LYS 37 -5.046 -3.907 2.070 257 1HD LYS 37 HD2 LYS 37 -5.441 -5.956 0.933 258 2HD LYS 37 HD1 LYS 37 -6.815 -4.901 0.598 259 1HE LYS 37 HE2 LYS 37 -5.769 -4.309 -1.578 260 2HE LYS 37 HE1 LYS 37 -4.466 -5.441 -1.223 261 1HZ LYS 37 HZ1 LYS 37 -6.134 -6.406 -2.659 262 2HZ LYS 37 HZ2 LYS 37 -7.340 -6.130 -1.507 263 3HZ LYS 37 HZ3 LYS 37 -6.089 -7.225 -1.180 264 H CYS 38 HN CYS 38 -2.373 -1.760 1.822 265 HA CYS 38 HA CYS 38 -0.830 -1.339 -0.609 266 1HB CYS 38 HB2 CYS 38 -0.069 -2.207 2.182 267 2HB CYS 38 HB1 CYS 38 1.088 -2.028 0.869 268 H TYR 39 HN TYR 39 0.228 -2.981 -1.741 269 HA TYR 39 HA TYR 39 -0.988 -5.626 -1.498 270 1HB TYR 39 HB2 TYR 39 1.040 -4.542 -3.465 271 2HB TYR 39 HB1 TYR 39 0.298 -6.136 -3.547 272 HD1 TYR 39 HD1 TYR 39 0.078 -2.859 -4.743 273 HD2 TYR 39 HD2 TYR 39 -2.361 -6.113 -3.514 274 HE1 TYR 39 HE1 TYR 39 -1.772 -1.953 -6.072 275 HE2 TYR 39 HE2 TYR 39 -4.225 -5.213 -4.835 276 HH TYR 39 HH TYR 39 -4.105 -3.378 -7.173 277 H GLY 40 HN GLY 40 1.266 -4.242 0.283 278 1HA GLY 40 HA2 GLY 40 2.764 -5.172 1.716 279 2HA GLY 40 HA1 GLY 40 2.649 -6.700 0.850 280 H CYS 41 HN CYS 41 4.869 -6.998 0.703 281 HA CYS 41 HA CYS 41 6.114 -5.665 -1.508 282 1HB CYS 41 HB2 CYS 41 6.528 -4.121 0.463 283 2HB CYS 41 HB1 CYS 41 7.461 -5.403 1.202 Start of MODEL 22 1 1H TRP 1 HT1 TRP 1 1.037 8.281 9.886 2 2H TRP 1 HT2 TRP 1 1.320 8.829 8.281 3 3H TRP 1 HT3 TRP 1 1.835 9.776 9.611 4 HA TRP 1 HA TRP 1 3.653 8.666 8.580 5 1HB TRP 1 HB2 TRP 1 3.306 9.004 11.159 6 2HB TRP 1 HB1 TRP 1 3.185 7.262 11.224 7 HD1 TRP 1 HD1 TRP 1 5.467 6.077 9.761 8 HE1 TRP 1 HE1 TRP 1 7.931 6.670 10.204 9 HE3 TRP 1 HE3 TRP 1 4.826 10.620 12.015 10 HZ2 TRP 1 HZ2 TRP 1 9.409 8.775 11.365 11 HZ3 TRP 1 HZ3 TRP 1 6.816 11.855 12.767 12 HH2 TRP 1 HH2 TRP 1 9.060 10.950 12.448 13 H CYS 2 HN CYS 2 1.825 6.169 10.342 14 HA CYS 2 HA CYS 2 2.631 4.159 8.367 15 1HB CYS 2 HB2 CYS 2 1.481 2.619 10.016 16 2HB CYS 2 HB1 CYS 2 2.942 3.403 10.582 17 H SER 3 HN SER 3 1.200 3.127 7.035 18 HA SER 3 HA SER 3 -1.250 4.554 6.479 19 1HB SER 3 HB2 SER 3 -1.283 2.622 4.644 20 2HB SER 3 HB1 SER 3 -0.232 4.009 4.510 21 HG SER 3 HG SER 3 0.602 1.647 4.383 22 H THR 4 HN THR 4 -0.519 1.844 8.408 23 HA THR 4 HA THR 4 -3.139 0.608 7.978 24 HB THR 4 HB THR 4 -2.279 -1.063 9.686 25 HG1 THR 4 HG1 THR 4 -0.684 0.029 10.744 26 1HG2 THR 4 HG21 THR 4 -0.634 -0.644 7.190 27 2HG2 THR 4 HG22 THR 4 -2.158 -1.524 7.304 28 3HG2 THR 4 HG23 THR 4 -0.724 -2.133 8.130 29 H CYS 5 HN CYS 5 -1.429 2.545 10.328 30 HA CYS 5 HA CYS 5 -3.452 2.180 12.383 31 1HB CYS 5 HB2 CYS 5 -1.589 4.425 12.731 32 2HB CYS 5 HB1 CYS 5 -1.938 3.056 13.774 33 H LEU 6 HN LEU 6 -2.981 4.160 9.652 34 HA LEU 6 HA LEU 6 -5.049 6.030 10.599 35 1HB LEU 6 HB2 LEU 6 -2.861 7.110 10.294 36 2HB LEU 6 HB1 LEU 6 -2.801 6.522 8.642 37 HG LEU 6 HG LEU 6 -4.798 7.896 8.104 38 1HD1 LEU 6 HD11 LEU 6 -5.514 9.621 9.701 39 2HD1 LEU 6 HD12 LEU 6 -4.466 8.905 10.926 40 3HD1 LEU 6 HD13 LEU 6 -5.834 7.993 10.288 41 1HD2 LEU 6 HD21 LEU 6 -2.514 9.445 9.322 42 2HD2 LEU 6 HD22 LEU 6 -3.665 10.047 8.128 43 3HD2 LEU 6 HD23 LEU 6 -2.545 8.757 7.698 44 H ASP 7 HN ASP 7 -6.894 5.858 9.520 45 HA ASP 7 HA ASP 7 -7.016 4.175 7.155 46 1HB ASP 7 HB2 ASP 7 -9.506 4.586 7.339 47 2HB ASP 7 HB1 ASP 7 -8.749 3.770 8.698 48 H LEU 8 HN LEU 8 -5.921 5.386 5.624 49 HA LEU 8 HA LEU 8 -6.951 8.005 4.843 50 1HB LEU 8 HB2 LEU 8 -4.862 6.240 3.591 51 2HB LEU 8 HB1 LEU 8 -5.281 7.835 3.013 52 HG LEU 8 HG LEU 8 -4.609 8.479 5.537 53 1HD1 LEU 8 HD11 LEU 8 -3.015 5.992 4.920 54 2HD1 LEU 8 HD12 LEU 8 -4.092 6.279 6.275 55 3HD1 LEU 8 HD13 LEU 8 -2.592 7.170 6.164 56 1HD2 LEU 8 HD21 LEU 8 -2.419 9.094 4.684 57 2HD2 LEU 8 HD22 LEU 8 -3.673 9.436 3.494 58 3HD2 LEU 8 HD23 LEU 8 -2.637 8.020 3.301 59 H ALA 9 HN ALA 9 -9.073 6.540 4.712 60 HA ALA 9 HA ALA 9 -9.573 4.802 2.637 61 1HB ALA 9 HB1 ALA 9 -11.494 6.786 3.851 62 2HB ALA 9 HB2 ALA 9 -11.099 5.195 4.500 63 3HB ALA 9 HB3 ALA 9 -11.928 5.331 2.950 64 H CYS 10 HN CYS 10 -8.460 5.554 0.811 65 HA CYS 10 HA CYS 10 -8.100 6.652 -1.086 66 1HB CYS 10 HB2 CYS 10 -11.086 6.801 -0.895 67 2HB CYS 10 HB1 CYS 10 -10.259 7.586 -2.238 68 H THR 11 HN THR 11 -7.287 8.019 0.974 69 HA THR 11 HA THR 11 -8.086 10.808 0.664 70 HB THR 11 HB THR 11 -5.648 9.654 2.082 71 HG1 THR 11 HG1 THR 11 -8.243 10.263 3.141 72 1HG2 THR 11 HG21 THR 11 -7.031 12.333 2.218 73 2HG2 THR 11 HG22 THR 11 -5.371 11.994 1.726 74 3HG2 THR 11 HG23 THR 11 -5.854 11.770 3.404 75 H GLY 12 HN GLY 12 -6.380 8.483 -0.978 76 1HA GLY 12 HA2 GLY 12 -5.677 9.423 -3.199 77 2HA GLY 12 HA1 GLY 12 -4.532 10.364 -2.253 78 H SER 13 HN SER 13 -4.781 7.649 -4.063 79 HA SER 13 HA SER 13 -3.230 5.781 -2.590 80 1HB SER 13 HB2 SER 13 -3.369 6.211 -5.592 81 2HB SER 13 HB1 SER 13 -2.737 4.778 -4.779 82 HG SER 13 HG SER 13 -5.401 5.699 -4.935 83 H LYS 14 HN LYS 14 -2.525 8.617 -4.519 84 HA LYS 14 HA LYS 14 0.251 8.475 -4.698 85 1HB LYS 14 HB2 LYS 14 -1.485 10.893 -4.371 86 2HB LYS 14 HB1 LYS 14 0.196 10.912 -4.900 87 1HG LYS 14 HG2 LYS 14 -0.394 9.664 -6.891 88 2HG LYS 14 HG1 LYS 14 -2.077 9.582 -6.368 89 1HD LYS 14 HD2 LYS 14 -2.226 12.024 -6.450 90 2HD LYS 14 HD1 LYS 14 -0.539 12.112 -6.966 91 1HE LYS 14 HE2 LYS 14 -2.806 10.808 -8.471 92 2HE LYS 14 HE1 LYS 14 -2.036 12.344 -8.864 93 1HZ LYS 14 HZ1 LYS 14 -0.854 9.634 -9.014 94 2HZ LYS 14 HZ2 LYS 14 0.088 11.040 -9.095 95 3HZ LYS 14 HZ3 LYS 14 -1.091 10.740 -10.267 96 H ASP 15 HN ASP 15 -1.859 9.604 -2.136 97 HA ASP 15 HA ASP 15 0.218 10.567 -0.446 98 1HB ASP 15 HB2 ASP 15 -2.316 11.101 -0.359 99 2HB ASP 15 HB1 ASP 15 -2.483 9.591 0.530 100 H CYS 16 HN CYS 16 -1.722 7.594 -0.526 101 HA CYS 16 HA CYS 16 -0.550 6.424 1.748 102 1HB CYS 16 HB2 CYS 16 -2.073 5.176 -0.543 103 2HB CYS 16 HB1 CYS 16 -1.666 4.336 0.952 104 H TYR 17 HN TYR 17 0.670 6.634 -1.483 105 HA TYR 17 HA TYR 17 2.232 4.337 -1.683 106 1HB TYR 17 HB2 TYR 17 2.811 7.168 -2.569 107 2HB TYR 17 HB1 TYR 17 3.852 5.814 -2.987 108 HD1 TYR 17 HD1 TYR 17 2.322 7.749 -4.847 109 HD2 TYR 17 HD2 TYR 17 1.469 3.821 -3.425 110 HE1 TYR 17 HE1 TYR 17 0.966 7.316 -6.844 111 HE2 TYR 17 HE2 TYR 17 0.119 3.393 -5.414 112 HH TYR 17 HH TYR 17 -1.224 5.289 -7.178 113 H ALA 18 HN ALA 18 2.975 7.395 -0.057 114 HA ALA 18 HA ALA 18 5.608 6.730 0.645 115 1HB ALA 18 HB1 ALA 18 4.836 8.533 2.592 116 2HB ALA 18 HB2 ALA 18 3.750 8.888 1.251 117 3HB ALA 18 HB3 ALA 18 5.489 8.908 1.001 118 HA PRO 19 HA PRO 19 4.036 5.542 5.092 119 1HB PRO 19 HB2 PRO 19 1.227 4.845 4.546 120 2HB PRO 19 HB1 PRO 19 1.899 5.667 5.929 121 1HG PRO 19 HG2 PRO 19 0.485 6.966 4.095 122 2HG PRO 19 HG1 PRO 19 1.919 7.710 4.828 123 1HD PRO 19 HD2 PRO 19 1.619 6.445 2.168 124 2HD PRO 19 HD1 PRO 19 2.491 7.886 2.616 125 H CYS 20 HN CYS 20 2.392 3.970 2.351 126 HA CYS 20 HA CYS 20 2.539 1.340 3.397 127 1HB CYS 20 HB2 CYS 20 1.018 1.997 1.568 128 2HB CYS 20 HB1 CYS 20 2.397 2.235 0.508 129 H ARG 21 HN ARG 21 4.622 3.140 1.137 130 HA ARG 21 HA ARG 21 6.477 1.049 0.707 131 1HB ARG 21 HB2 ARG 21 6.183 3.182 -0.636 132 2HB ARG 21 HB1 ARG 21 7.088 4.022 0.605 133 1HG ARG 21 HG2 ARG 21 8.219 1.605 -0.774 134 2HG ARG 21 HG1 ARG 21 8.280 3.185 -1.532 135 1HD ARG 21 HD2 ARG 21 9.359 2.697 1.236 136 2HD ARG 21 HD1 ARG 21 10.311 2.493 -0.214 137 HE ARG 21 HE ARG 21 9.162 5.027 -0.330 138 1HH1 ARG 21 HH11 ARG 21 11.441 3.273 1.677 139 2HH1 ARG 21 HH12 ARG 21 12.370 4.679 2.043 140 1HH2 ARG 21 HH21 ARG 21 10.416 6.873 0.151 141 2HH2 ARG 21 HH22 ARG 21 11.798 6.723 1.185 142 H LYS 22 HN LYS 22 6.321 3.682 3.063 143 HA LYS 22 HA LYS 22 8.831 3.210 4.273 144 1HB LYS 22 HB2 LYS 22 7.677 5.292 4.523 145 2HB LYS 22 HB1 LYS 22 6.320 4.520 5.318 146 1HG LYS 22 HG2 LYS 22 7.605 4.022 7.255 147 2HG LYS 22 HG1 LYS 22 9.105 4.524 6.469 148 1HD LYS 22 HD2 LYS 22 6.757 6.335 7.071 149 2HD LYS 22 HD1 LYS 22 8.220 6.204 8.050 150 1HE LYS 22 HE2 LYS 22 9.560 6.891 6.091 151 2HE LYS 22 HE1 LYS 22 8.072 7.106 5.174 152 1HZ LYS 22 HZ1 LYS 22 7.379 8.795 6.737 153 2HZ LYS 22 HZ2 LYS 22 8.868 9.186 6.039 154 3HZ LYS 22 HZ3 LYS 22 8.810 8.597 7.623 155 H GLN 23 HN GLN 23 5.633 1.826 4.814 156 HA GLN 23 HA GLN 23 6.377 0.523 7.263 157 1HB GLN 23 HB2 GLN 23 3.994 0.442 5.455 158 2HB GLN 23 HB1 GLN 23 4.214 -0.851 6.628 159 1HG GLN 23 HG2 GLN 23 4.409 0.965 8.385 160 2HG GLN 23 HG1 GLN 23 3.836 2.082 7.144 161 1HE2 GLN 23 HE21 GLN 23 2.663 0.992 9.717 162 2HE2 GLN 23 HE22 GLN 23 1.088 0.475 9.242 163 H THR 24 HN THR 24 5.543 -0.817 4.047 164 HA THR 24 HA THR 24 6.759 -3.322 4.914 165 HB THR 24 HB THR 24 4.492 -3.338 3.930 166 HG1 THR 24 HG1 THR 24 4.871 -5.202 2.861 167 1HG2 THR 24 HG21 THR 24 5.291 -3.153 1.159 168 2HG2 THR 24 HG22 THR 24 5.548 -1.630 1.987 169 3HG2 THR 24 HG23 THR 24 3.963 -2.380 2.004 170 H GLY 25 HN GLY 25 7.427 -0.783 2.549 171 1HA GLY 25 HA2 GLY 25 9.867 -0.728 2.008 172 2HA GLY 25 HA1 GLY 25 9.710 -2.420 1.575 173 H CYS 26 HN CYS 26 7.200 -2.266 0.238 174 HA CYS 26 HA CYS 26 8.081 -0.839 -2.178 175 1HB CYS 26 HB2 CYS 26 6.105 -3.062 -1.925 176 2HB CYS 26 HB1 CYS 26 6.667 -2.369 -3.425 177 HA PRO 27 HA PRO 27 4.615 1.897 -1.591 178 1HB PRO 27 HB2 PRO 27 4.805 3.320 -3.836 179 2HB PRO 27 HB1 PRO 27 6.122 3.321 -2.667 180 1HG PRO 27 HG2 PRO 27 5.865 1.703 -5.175 181 2HG PRO 27 HG1 PRO 27 7.235 2.683 -4.617 182 1HD PRO 27 HD2 PRO 27 7.079 -0.018 -4.251 183 2HD PRO 27 HD1 PRO 27 7.955 1.070 -3.155 184 H ASN 28 HN ASN 28 4.111 -0.850 -2.916 185 HA ASN 28 HA ASN 28 2.215 -0.331 -5.000 186 1HB ASN 28 HB2 ASN 28 2.737 -2.854 -3.404 187 2HB ASN 28 HB1 ASN 28 1.719 -2.748 -4.826 188 1HD2 ASN 28 HD21 ASN 28 3.951 -4.450 -4.511 189 2HD2 ASN 28 HD22 ASN 28 5.103 -3.985 -5.711 190 H ALA 29 HN ALA 29 0.903 1.230 -3.816 191 HA ALA 29 HA ALA 29 -1.052 -0.087 -2.029 192 1HB ALA 29 HB1 ALA 29 -1.178 1.781 -0.672 193 2HB ALA 29 HB2 ALA 29 -0.388 2.829 -1.853 194 3HB ALA 29 HB3 ALA 29 0.543 1.621 -0.987 195 H LYS 30 HN LYS 30 -3.109 0.021 -2.634 196 HA LYS 30 HA LYS 30 -3.897 2.051 -4.634 197 1HB LYS 30 HB2 LYS 30 -3.750 -0.197 -5.666 198 2HB LYS 30 HB1 LYS 30 -4.839 -0.819 -4.450 199 1HG LYS 30 HG2 LYS 30 -6.045 -0.443 -6.493 200 2HG LYS 30 HG1 LYS 30 -6.618 0.668 -5.255 201 1HD LYS 30 HD2 LYS 30 -6.383 1.827 -7.360 202 2HD LYS 30 HD1 LYS 30 -5.193 2.448 -6.224 203 1HE LYS 30 HE2 LYS 30 -3.464 1.082 -7.266 204 2HE LYS 30 HE1 LYS 30 -4.657 0.367 -8.349 205 1HZ LYS 30 HZ1 LYS 30 -3.868 3.229 -8.267 206 2HZ LYS 30 HZ2 LYS 30 -5.014 2.554 -9.315 207 3HZ LYS 30 HZ3 LYS 30 -3.391 2.097 -9.430 208 H CYS 31 HN CYS 31 -5.596 3.286 -3.986 209 HA CYS 31 HA CYS 31 -6.732 2.717 -1.405 210 1HB CYS 31 HB2 CYS 31 -7.434 4.840 -1.325 211 2HB CYS 31 HB1 CYS 31 -6.200 5.058 -2.547 212 H ILE 32 HN ILE 32 -8.406 1.517 -1.049 213 HA ILE 32 HA ILE 32 -10.470 1.171 -3.131 214 HB ILE 32 HB ILE 32 -11.246 -0.771 -1.882 215 1HG1 ILE 32 HG12 ILE 32 -8.901 -0.261 -0.044 216 2HG1 ILE 32 HG11 ILE 32 -10.596 -0.108 0.379 217 1HG2 ILE 32 HG21 ILE 32 -9.524 -1.043 -3.634 218 2HG2 ILE 32 HG22 ILE 32 -9.463 -2.301 -2.407 219 3HG2 ILE 32 HG23 ILE 32 -8.281 -0.991 -2.385 220 1HD1 ILE 32 HD11 ILE 32 -9.053 -2.595 -0.218 221 2HD1 ILE 32 HD12 ILE 32 -10.815 -2.552 -0.116 222 3HD1 ILE 32 HD13 ILE 32 -9.837 -2.123 1.287 223 H ASN 33 HN ASN 33 -12.673 1.151 -2.223 224 HA ASN 33 HA ASN 33 -13.344 3.585 -1.355 225 1HB ASN 33 HB2 ASN 33 -14.872 1.056 -0.733 226 2HB ASN 33 HB1 ASN 33 -15.552 2.679 -0.644 227 1HD2 ASN 33 HD21 ASN 33 -15.951 3.817 -2.548 228 2HD2 ASN 33 HD22 ASN 33 -15.987 3.020 -4.080 229 H LYS 34 HN LYS 34 -12.568 0.916 0.833 230 HA LYS 34 HA LYS 34 -13.253 2.602 3.121 231 1HB LYS 34 HB2 LYS 34 -14.162 0.336 2.991 232 2HB LYS 34 HB1 LYS 34 -12.529 -0.322 2.987 233 1HG LYS 34 HG2 LYS 34 -12.136 0.570 5.203 234 2HG LYS 34 HG1 LYS 34 -13.738 1.308 5.215 235 1HD LYS 34 HD2 LYS 34 -14.786 -0.864 5.126 236 2HD LYS 34 HD1 LYS 34 -13.216 -1.657 4.965 237 1HE LYS 34 HE2 LYS 34 -14.140 -0.048 7.348 238 2HE LYS 34 HE1 LYS 34 -14.087 -1.807 7.248 239 1HZ LYS 34 HZ1 LYS 34 -11.802 0.075 7.243 240 2HZ LYS 34 HZ2 LYS 34 -11.636 -1.553 6.805 241 3HZ LYS 34 HZ3 LYS 34 -12.150 -1.140 8.362 242 H SER 35 HN SER 35 -10.378 1.321 1.554 243 HA SER 35 HA SER 35 -8.649 2.552 3.565 244 1HB SER 35 HB2 SER 35 -8.631 -0.432 3.010 245 2HB SER 35 HB1 SER 35 -7.554 0.436 4.105 246 HG SER 35 HG SER 35 -9.235 0.785 5.480 247 H CYS 36 HN CYS 36 -6.309 2.249 3.028 248 HA CYS 36 HA CYS 36 -5.876 2.085 0.122 249 1HB CYS 36 HB2 CYS 36 -4.210 3.170 2.372 250 2HB CYS 36 HB1 CYS 36 -3.477 2.755 0.824 251 H LYS 37 HN LYS 37 -5.760 0.056 -0.493 252 HA LYS 37 HA LYS 37 -4.671 -1.967 1.287 253 1HB LYS 37 HB2 LYS 37 -6.828 -2.145 -0.039 254 2HB LYS 37 HB1 LYS 37 -5.857 -2.342 -1.474 255 1HG LYS 37 HG2 LYS 37 -5.627 -4.133 0.950 256 2HG LYS 37 HG1 LYS 37 -6.767 -4.441 -0.354 257 1HD LYS 37 HD2 LYS 37 -3.782 -4.273 -0.652 258 2HD LYS 37 HD1 LYS 37 -4.706 -5.749 -0.595 259 1HE LYS 37 HE2 LYS 37 -5.029 -3.604 -2.700 260 2HE LYS 37 HE1 LYS 37 -4.088 -5.071 -2.878 261 1HZ LYS 37 HZ1 LYS 37 -7.013 -4.921 -2.431 262 2HZ LYS 37 HZ2 LYS 37 -6.122 -6.360 -2.473 263 3HZ LYS 37 HZ3 LYS 37 -6.223 -5.386 -3.850 264 H CYS 38 HN CYS 38 -2.586 -2.465 1.231 265 HA CYS 38 HA CYS 38 -0.955 -1.850 -1.088 266 1HB CYS 38 HB2 CYS 38 -0.249 -3.034 1.593 267 2HB CYS 38 HB1 CYS 38 0.919 -2.651 0.334 268 H TYR 39 HN TYR 39 0.055 -3.376 -2.382 269 HA TYR 39 HA TYR 39 -1.417 -5.826 -2.662 270 1HB TYR 39 HB2 TYR 39 0.973 -4.740 -4.160 271 2HB TYR 39 HB1 TYR 39 0.131 -6.220 -4.601 272 HD1 TYR 39 HD1 TYR 39 -0.185 -2.556 -4.411 273 HD2 TYR 39 HD2 TYR 39 -1.971 -6.154 -5.756 274 HE1 TYR 39 HE1 TYR 39 -1.727 -1.241 -5.770 275 HE2 TYR 39 HE2 TYR 39 -3.537 -4.856 -7.130 276 HH TYR 39 HH TYR 39 -3.216 -2.093 -8.171 277 H GLY 40 HN GLY 40 1.017 -5.116 -0.570 278 1HA GLY 40 HA2 GLY 40 2.133 -6.500 0.834 279 2HA GLY 40 HA1 GLY 40 1.550 -7.879 -0.083 280 H CYS 41 HN CYS 41 4.204 -5.872 0.563 281 HA CYS 41 HA CYS 41 5.910 -7.443 -1.171 282 1HB CYS 41 HB2 CYS 41 5.008 -5.681 -2.676 283 2HB CYS 41 HB1 CYS 41 5.670 -4.484 -1.603 Start of MODEL 23 1 1H TRP 1 HT1 TRP 1 4.053 2.259 13.319 2 2H TRP 1 HT2 TRP 1 3.006 3.352 12.504 3 3H TRP 1 HT3 TRP 1 3.224 3.466 14.205 4 HA TRP 1 HA TRP 1 5.494 4.029 13.929 5 1HB TRP 1 HB2 TRP 1 4.821 3.713 11.003 6 2HB TRP 1 HB1 TRP 1 6.197 4.672 11.535 7 HD1 TRP 1 HD1 TRP 1 5.373 1.253 10.517 8 HE1 TRP 1 HE1 TRP 1 7.267 -0.368 11.156 9 HE3 TRP 1 HE3 TRP 1 7.974 4.264 13.730 10 HZ2 TRP 1 HZ2 TRP 1 9.563 -0.369 12.802 11 HZ3 TRP 1 HZ3 TRP 1 10.008 3.379 14.791 12 HH2 TRP 1 HH2 TRP 1 10.783 1.109 14.337 13 H CYS 2 HN CYS 2 3.394 5.330 11.366 14 HA CYS 2 HA CYS 2 3.972 8.005 12.338 15 1HB CYS 2 HB2 CYS 2 2.677 8.672 10.259 16 2HB CYS 2 HB1 CYS 2 4.180 7.804 10.024 17 H SER 3 HN SER 3 2.758 8.893 13.860 18 HA SER 3 HA SER 3 0.028 8.056 14.363 19 1HB SER 3 HB2 SER 3 1.617 10.342 15.564 20 2HB SER 3 HB1 SER 3 0.095 9.687 16.175 21 HG SER 3 HG SER 3 1.943 8.843 17.265 22 H THR 4 HN THR 4 1.553 10.177 12.252 23 HA THR 4 HA THR 4 -0.569 12.114 12.031 24 HB THR 4 HB THR 4 1.759 12.743 11.459 25 HG1 THR 4 HG1 THR 4 1.175 13.906 9.704 26 1HG2 THR 4 HG21 THR 4 2.715 10.769 10.613 27 2HG2 THR 4 HG22 THR 4 2.658 11.888 9.263 28 3HG2 THR 4 HG23 THR 4 1.486 10.584 9.363 29 H CYS 5 HN CYS 5 0.088 8.940 10.964 30 HA CYS 5 HA CYS 5 -1.692 9.026 8.677 31 1HB CYS 5 HB2 CYS 5 -0.413 6.662 10.076 32 2HB CYS 5 HB1 CYS 5 -1.234 6.644 8.531 33 H LEU 6 HN LEU 6 -3.423 9.953 10.059 34 HA LEU 6 HA LEU 6 -4.557 8.313 12.123 35 1HB LEU 6 HB2 LEU 6 -4.688 10.775 12.143 36 2HB LEU 6 HB1 LEU 6 -5.680 10.731 10.696 37 HG LEU 6 HG LEU 6 -7.438 9.521 11.959 38 1HD1 LEU 6 HD11 LEU 6 -6.074 8.410 13.618 39 2HD1 LEU 6 HD12 LEU 6 -7.267 9.423 14.418 40 3HD1 LEU 6 HD13 LEU 6 -5.591 9.960 14.306 41 1HD2 LEU 6 HD21 LEU 6 -8.176 11.420 13.292 42 2HD2 LEU 6 HD22 LEU 6 -7.509 11.956 11.751 43 3HD2 LEU 6 HD23 LEU 6 -6.554 12.114 13.227 44 H ASP 7 HN ASP 7 -5.729 9.374 8.925 45 HA ASP 7 HA ASP 7 -7.072 6.759 8.695 46 1HB ASP 7 HB2 ASP 7 -9.008 7.689 7.706 47 2HB ASP 7 HB1 ASP 7 -8.727 8.601 9.183 48 H LEU 8 HN LEU 8 -6.415 5.685 6.962 49 HA LEU 8 HA LEU 8 -5.244 7.231 4.736 50 1HB LEU 8 HB2 LEU 8 -4.807 4.330 5.441 51 2HB LEU 8 HB1 LEU 8 -4.160 5.151 4.033 52 HG LEU 8 HG LEU 8 -2.981 6.718 5.713 53 1HD1 LEU 8 HD11 LEU 8 -2.443 5.257 7.841 54 2HD1 LEU 8 HD12 LEU 8 -4.039 4.595 7.525 55 3HD1 LEU 8 HD13 LEU 8 -3.839 6.326 7.791 56 1HD2 LEU 8 HD21 LEU 8 -1.126 5.090 5.986 57 2HD2 LEU 8 HD22 LEU 8 -1.768 5.178 4.355 58 3HD2 LEU 8 HD23 LEU 8 -2.201 3.821 5.393 59 H ALA 9 HN ALA 9 -7.983 6.184 5.723 60 HA ALA 9 HA ALA 9 -9.025 4.355 3.952 61 1HB ALA 9 HB1 ALA 9 -11.222 5.514 4.712 62 2HB ALA 9 HB2 ALA 9 -10.168 6.441 5.762 63 3HB ALA 9 HB3 ALA 9 -10.222 4.684 5.893 64 H CYS 10 HN CYS 10 -8.113 5.127 1.923 65 HA CYS 10 HA CYS 10 -8.133 6.163 -0.042 66 1HB CYS 10 HB2 CYS 10 -10.994 6.695 0.745 67 2HB CYS 10 HB1 CYS 10 -10.332 7.348 -0.744 68 H THR 11 HN THR 11 -6.730 7.290 1.748 69 HA THR 11 HA THR 11 -7.277 10.147 1.891 70 HB THR 11 HB THR 11 -6.006 9.008 3.718 71 HG1 THR 11 HG1 THR 11 -5.563 11.165 3.565 72 1HG2 THR 11 HG21 THR 11 -3.776 8.228 3.399 73 2HG2 THR 11 HG22 THR 11 -3.770 8.732 1.717 74 3HG2 THR 11 HG23 THR 11 -4.792 7.395 2.231 75 H GLY 12 HN GLY 12 -5.990 7.885 -0.302 76 1HA GLY 12 HA2 GLY 12 -5.761 8.968 -2.563 77 2HA GLY 12 HA1 GLY 12 -4.526 9.955 -1.803 78 H SER 13 HN SER 13 -4.506 7.799 -3.962 79 HA SER 13 HA SER 13 -3.028 5.599 -2.954 80 1HB SER 13 HB2 SER 13 -2.288 5.343 -5.360 81 2HB SER 13 HB1 SER 13 -4.034 5.424 -5.128 82 HG SER 13 HG SER 13 -3.324 6.764 -6.850 83 H LYS 14 HN LYS 14 -2.044 8.640 -4.462 84 HA LYS 14 HA LYS 14 0.737 8.311 -4.261 85 1HB LYS 14 HB2 LYS 14 -0.698 10.940 -4.105 86 2HB LYS 14 HB1 LYS 14 0.926 10.637 -4.710 87 1HG LYS 14 HG2 LYS 14 -1.554 9.533 -6.036 88 2HG LYS 14 HG1 LYS 14 -0.871 11.105 -6.396 89 1HD LYS 14 HD2 LYS 14 1.219 10.088 -7.084 90 2HD LYS 14 HD1 LYS 14 0.594 8.506 -6.660 91 1HE LYS 14 HE2 LYS 14 0.470 8.972 -9.085 92 2HE LYS 14 HE1 LYS 14 -1.098 8.634 -8.356 93 1HZ LYS 14 HZ1 LYS 14 -0.987 10.564 -9.937 94 2HZ LYS 14 HZ2 LYS 14 -0.104 11.401 -8.765 95 3HZ LYS 14 HZ3 LYS 14 -1.686 10.891 -8.435 96 H ASP 15 HN ASP 15 -1.662 9.676 -2.146 97 HA ASP 15 HA ASP 15 0.052 10.732 -0.172 98 1HB ASP 15 HB2 ASP 15 -2.814 9.781 0.094 99 2HB ASP 15 HB1 ASP 15 -1.978 10.864 1.204 100 H CYS 16 HN CYS 16 -1.356 7.545 -0.661 101 HA CYS 16 HA CYS 16 -0.567 6.648 1.986 102 1HB CYS 16 HB2 CYS 16 -2.724 5.982 1.010 103 2HB CYS 16 HB1 CYS 16 -1.878 5.149 -0.289 104 H TYR 17 HN TYR 17 0.766 6.592 -1.229 105 HA TYR 17 HA TYR 17 2.280 4.282 -1.228 106 1HB TYR 17 HB2 TYR 17 2.927 7.034 -2.286 107 2HB TYR 17 HB1 TYR 17 3.999 5.665 -2.558 108 HD1 TYR 17 HD1 TYR 17 2.495 7.426 -4.614 109 HD2 TYR 17 HD2 TYR 17 1.688 3.598 -2.926 110 HE1 TYR 17 HE1 TYR 17 1.221 6.793 -6.620 111 HE2 TYR 17 HE2 TYR 17 0.422 2.991 -4.932 112 HH TYR 17 HH TYR 17 0.622 4.158 -7.677 113 H ALA 18 HN ALA 18 3.215 7.410 0.158 114 HA ALA 18 HA ALA 18 5.767 6.598 0.968 115 1HB ALA 18 HB1 ALA 18 5.162 8.584 2.760 116 2HB ALA 18 HB2 ALA 18 4.064 8.922 1.424 117 3HB ALA 18 HB3 ALA 18 5.792 8.800 1.132 118 HA PRO 19 HA PRO 19 4.042 5.772 5.459 119 1HB PRO 19 HB2 PRO 19 1.160 5.274 4.923 120 2HB PRO 19 HB1 PRO 19 1.951 6.124 6.241 121 1HG PRO 19 HG2 PRO 19 0.641 7.440 4.323 122 2HG PRO 19 HG1 PRO 19 2.116 8.099 5.056 123 1HD PRO 19 HD2 PRO 19 1.761 6.756 2.437 124 2HD PRO 19 HD1 PRO 19 2.750 8.131 2.855 125 H CYS 20 HN CYS 20 2.275 4.181 2.782 126 HA CYS 20 HA CYS 20 2.189 1.615 3.945 127 1HB CYS 20 HB2 CYS 20 0.818 2.075 2.019 128 2HB CYS 20 HB1 CYS 20 2.229 2.457 1.041 129 H ARG 21 HN ARG 21 4.612 3.161 1.842 130 HA ARG 21 HA ARG 21 6.343 0.899 1.757 131 1HB ARG 21 HB2 ARG 21 6.444 2.776 0.141 132 2HB ARG 21 HB1 ARG 21 7.049 3.824 1.408 133 1HG ARG 21 HG2 ARG 21 9.018 2.395 1.655 134 2HG ARG 21 HG1 ARG 21 8.405 1.331 0.391 135 1HD ARG 21 HD2 ARG 21 8.470 3.305 -1.150 136 2HD ARG 21 HD1 ARG 21 9.270 4.198 0.127 137 HE ARG 21 HE ARG 21 10.813 1.996 -0.089 138 1HH1 ARG 21 HH11 ARG 21 9.733 4.411 -2.406 139 2HH1 ARG 21 HH12 ARG 21 11.056 4.125 -3.472 140 1HH2 ARG 21 HH21 ARG 21 12.540 1.642 -1.511 141 2HH2 ARG 21 HH22 ARG 21 12.654 2.565 -2.973 142 H LYS 22 HN LYS 22 6.057 3.705 3.886 143 HA LYS 22 HA LYS 22 8.427 3.255 5.361 144 1HB LYS 22 HB2 LYS 22 5.880 4.750 5.940 145 2HB LYS 22 HB1 LYS 22 7.161 4.619 7.131 146 1HG LYS 22 HG2 LYS 22 8.708 5.565 5.321 147 2HG LYS 22 HG1 LYS 22 7.243 5.952 4.442 148 1HD LYS 22 HD2 LYS 22 7.983 7.881 5.688 149 2HD LYS 22 HD1 LYS 22 6.451 7.298 6.339 150 1HE LYS 22 HE2 LYS 22 8.125 7.932 8.066 151 2HE LYS 22 HE1 LYS 22 7.565 6.272 8.203 152 1HZ LYS 22 HZ1 LYS 22 10.072 6.994 6.782 153 2HZ LYS 22 HZ2 LYS 22 9.580 5.467 7.329 154 3HZ LYS 22 HZ3 LYS 22 10.023 6.659 8.439 155 H GLN 23 HN GLN 23 5.227 1.858 5.578 156 HA GLN 23 HA GLN 23 5.768 0.655 8.171 157 1HB GLN 23 HB2 GLN 23 3.441 0.487 6.261 158 2HB GLN 23 HB1 GLN 23 3.511 -0.406 7.777 159 1HG GLN 23 HG2 GLN 23 3.531 1.593 9.054 160 2HG GLN 23 HG1 GLN 23 3.719 2.591 7.616 161 1HE2 GLN 23 HE21 GLN 23 1.839 3.771 8.104 162 2HE2 GLN 23 HE22 GLN 23 0.270 3.078 7.899 163 H THR 24 HN THR 24 4.962 -0.618 4.912 164 HA THR 24 HA THR 24 5.902 -3.246 5.789 165 HB THR 24 HB THR 24 4.906 -4.064 3.668 166 HG1 THR 24 HG1 THR 24 3.729 -2.512 2.396 167 1HG2 THR 24 HG21 THR 24 3.080 -2.251 5.251 168 2HG2 THR 24 HG22 THR 24 3.506 -3.913 5.666 169 3HG2 THR 24 HG23 THR 24 2.576 -3.579 4.206 170 H GLY 25 HN GLY 25 6.846 -0.718 3.542 171 1HA GLY 25 HA2 GLY 25 9.114 -0.606 2.718 172 2HA GLY 25 HA1 GLY 25 9.174 -2.359 2.715 173 H CYS 26 HN CYS 26 6.156 -1.838 1.769 174 HA CYS 26 HA CYS 26 6.818 -2.130 -1.026 175 1HB CYS 26 HB2 CYS 26 5.286 -3.721 -0.023 176 2HB CYS 26 HB1 CYS 26 4.225 -2.419 0.466 177 HA PRO 27 HA PRO 27 5.665 2.211 -1.470 178 1HB PRO 27 HB2 PRO 27 6.819 2.638 -3.844 179 2HB PRO 27 HB1 PRO 27 7.771 2.379 -2.402 180 1HG PRO 27 HG2 PRO 27 7.171 0.478 -4.592 181 2HG PRO 27 HG1 PRO 27 8.679 0.714 -3.693 182 1HD PRO 27 HD2 PRO 27 6.812 -1.257 -3.211 183 2HD PRO 27 HD1 PRO 27 8.055 -0.749 -2.077 184 H ASN 28 HN ASN 28 4.092 -0.329 -2.714 185 HA ASN 28 HA ASN 28 2.544 1.328 -4.571 186 1HB ASN 28 HB2 ASN 28 3.853 -0.673 -5.532 187 2HB ASN 28 HB1 ASN 28 2.651 -1.685 -4.737 188 1HD2 ASN 28 HD21 ASN 28 3.239 -1.265 -7.588 189 2HD2 ASN 28 HD22 ASN 28 1.745 -0.750 -8.286 190 H ALA 29 HN ALA 29 0.638 1.795 -3.802 191 HA ALA 29 HA ALA 29 -0.936 -0.140 -2.333 192 1HB ALA 29 HB1 ALA 29 -1.114 1.034 -0.419 193 2HB ALA 29 HB2 ALA 29 -0.922 2.609 -1.198 194 3HB ALA 29 HB3 ALA 29 0.483 1.595 -0.879 195 H LYS 30 HN LYS 30 -3.197 0.388 -2.251 196 HA LYS 30 HA LYS 30 -4.155 2.646 -3.833 197 1HB LYS 30 HB2 LYS 30 -3.798 0.864 -5.517 198 2HB LYS 30 HB1 LYS 30 -4.838 -0.214 -4.591 199 1HG LYS 30 HG2 LYS 30 -6.703 1.401 -4.919 200 2HG LYS 30 HG1 LYS 30 -5.631 2.362 -5.940 201 1HD LYS 30 HD2 LYS 30 -5.383 0.418 -7.443 202 2HD LYS 30 HD1 LYS 30 -6.511 -0.484 -6.425 203 1HE LYS 30 HE2 LYS 30 -7.118 2.069 -7.919 204 2HE LYS 30 HE1 LYS 30 -7.627 0.447 -8.386 205 1HZ LYS 30 HZ1 LYS 30 -8.816 0.341 -6.192 206 2HZ LYS 30 HZ2 LYS 30 -9.441 1.455 -7.297 207 3HZ LYS 30 HZ3 LYS 30 -8.495 1.995 -6.009 208 H CYS 31 HN CYS 31 -6.187 3.303 -3.136 209 HA CYS 31 HA CYS 31 -7.092 1.978 -0.715 210 1HB CYS 31 HB2 CYS 31 -8.087 3.920 -0.121 211 2HB CYS 31 HB1 CYS 31 -6.852 4.557 -1.191 212 H ILE 32 HN ILE 32 -8.837 0.785 -0.470 213 HA ILE 32 HA ILE 32 -10.969 0.816 -2.494 214 HB ILE 32 HB ILE 32 -11.164 -1.671 -2.307 215 1HG1 ILE 32 HG12 ILE 32 -8.345 -1.583 -1.201 216 2HG1 ILE 32 HG11 ILE 32 -9.748 -1.789 -0.175 217 1HG2 ILE 32 HG21 ILE 32 -10.140 -0.619 -4.261 218 2HG2 ILE 32 HG22 ILE 32 -9.416 -2.185 -3.910 219 3HG2 ILE 32 HG23 ILE 32 -8.560 -0.703 -3.482 220 1HD1 ILE 32 HD11 ILE 32 -9.001 -3.640 -2.400 221 2HD1 ILE 32 HD12 ILE 32 -10.327 -3.830 -1.257 222 3HD1 ILE 32 HD13 ILE 32 -8.660 -3.885 -0.689 223 H ASN 33 HN ASN 33 -12.985 0.618 -1.602 224 HA ASN 33 HA ASN 33 -14.559 0.887 0.018 225 1HB ASN 33 HB2 ASN 33 -13.021 -1.482 1.097 226 2HB ASN 33 HB1 ASN 33 -14.560 -0.953 1.772 227 1HD2 ASN 33 HD21 ASN 33 -16.449 -1.259 0.602 228 2HD2 ASN 33 HD22 ASN 33 -16.503 -2.308 -0.769 229 H LYS 34 HN LYS 34 -12.456 2.688 0.337 230 HA LYS 34 HA LYS 34 -11.419 4.076 1.757 231 1HB LYS 34 HB2 LYS 34 -13.701 3.204 3.504 232 2HB LYS 34 HB1 LYS 34 -12.510 4.354 4.052 233 1HG LYS 34 HG2 LYS 34 -13.081 5.780 2.078 234 2HG LYS 34 HG1 LYS 34 -14.377 4.640 1.721 235 1HD LYS 34 HD2 LYS 34 -15.265 6.528 2.939 236 2HD LYS 34 HD1 LYS 34 -15.360 5.078 3.938 237 1HE LYS 34 HE2 LYS 34 -14.620 6.993 5.238 238 2HE LYS 34 HE1 LYS 34 -13.345 5.793 5.154 239 1HZ LYS 34 HZ1 LYS 34 -13.500 8.185 3.393 240 2HZ LYS 34 HZ2 LYS 34 -12.206 7.101 3.527 241 3HZ LYS 34 HZ3 LYS 34 -12.597 8.110 4.821 242 H SER 35 HN SER 35 -10.114 1.763 1.491 243 HA SER 35 HA SER 35 -8.581 1.869 3.919 244 1HB SER 35 HB2 SER 35 -8.410 -0.635 4.155 245 2HB SER 35 HB1 SER 35 -9.981 0.035 4.589 246 HG SER 35 HG SER 35 -10.023 -1.879 3.225 247 H CYS 36 HN CYS 36 -6.531 2.021 3.324 248 HA CYS 36 HA CYS 36 -5.814 1.716 0.572 249 1HB CYS 36 HB2 CYS 36 -4.924 3.504 2.027 250 2HB CYS 36 HB1 CYS 36 -4.041 2.292 2.948 251 H LYS 37 HN LYS 37 -5.415 -0.204 -0.309 252 HA LYS 37 HA LYS 37 -4.363 -2.393 1.318 253 1HB LYS 37 HB2 LYS 37 -4.931 -3.829 -0.457 254 2HB LYS 37 HB1 LYS 37 -6.259 -2.681 -0.350 255 1HG LYS 37 HG2 LYS 37 -5.082 -1.417 -2.232 256 2HG LYS 37 HG1 LYS 37 -4.071 -2.831 -2.412 257 1HD LYS 37 HD2 LYS 37 -7.066 -2.739 -2.673 258 2HD LYS 37 HD1 LYS 37 -5.914 -2.864 -3.992 259 1HE LYS 37 HE2 LYS 37 -6.246 -4.920 -1.799 260 2HE LYS 37 HE1 LYS 37 -6.953 -5.020 -3.401 261 1HZ LYS 37 HZ1 LYS 37 -4.054 -4.974 -2.784 262 2HZ LYS 37 HZ2 LYS 37 -4.713 -5.000 -4.343 263 3HZ LYS 37 HZ3 LYS 37 -4.954 -6.309 -3.300 264 H CYS 38 HN CYS 38 -2.320 -3.134 1.166 265 HA CYS 38 HA CYS 38 -0.476 -1.692 -0.643 266 1HB CYS 38 HB2 CYS 38 -0.043 -3.149 1.969 267 2HB CYS 38 HB1 CYS 38 1.286 -2.658 0.928 268 H TYR 39 HN TYR 39 0.914 -2.872 -1.961 269 HA TYR 39 HA TYR 39 -0.277 -5.310 -2.882 270 1HB TYR 39 HB2 TYR 39 2.091 -3.686 -3.772 271 2HB TYR 39 HB1 TYR 39 1.736 -5.241 -4.506 272 HD1 TYR 39 HD1 TYR 39 -0.751 -2.683 -3.386 273 HD2 TYR 39 HD2 TYR 39 1.184 -4.564 -6.682 274 HE1 TYR 39 HE1 TYR 39 -2.309 -1.592 -4.904 275 HE2 TYR 39 HE2 TYR 39 -0.379 -3.461 -8.216 276 HH TYR 39 HH TYR 39 -1.941 -1.013 -7.813 277 H GLY 40 HN GLY 40 1.751 -4.858 -0.350 278 1HA GLY 40 HA2 GLY 40 3.053 -6.206 0.887 279 2HA GLY 40 HA1 GLY 40 2.278 -7.546 0.052 280 H CYS 41 HN CYS 41 4.249 -5.027 -1.318 281 HA CYS 41 HA CYS 41 5.633 -6.348 -3.171 282 1HB CYS 41 HB2 CYS 41 6.792 -4.149 -1.463 283 2HB CYS 41 HB1 CYS 41 7.388 -4.643 -3.028 Start of MODEL 24 1 1H TRP 1 HT1 TRP 1 3.816 5.028 11.995 2 2H TRP 1 HT2 TRP 1 4.303 3.555 12.691 3 3H TRP 1 HT3 TRP 1 3.064 3.560 11.504 4 HA TRP 1 HA TRP 1 5.938 4.140 11.184 5 1HB TRP 1 HB2 TRP 1 4.356 2.204 9.576 6 2HB TRP 1 HB1 TRP 1 6.054 2.170 9.944 7 HD1 TRP 1 HD1 TRP 1 2.792 0.716 10.950 8 HE1 TRP 1 HE1 TRP 1 3.057 -0.733 13.056 9 HE3 TRP 1 HE3 TRP 1 7.520 2.121 12.313 10 HZ2 TRP 1 HZ2 TRP 1 5.008 -1.219 15.035 11 HZ3 TRP 1 HZ3 TRP 1 8.508 1.115 14.328 12 HH2 TRP 1 HH2 TRP 1 7.279 -0.519 15.660 13 H CYS 2 HN CYS 2 2.813 5.021 10.237 14 HA CYS 2 HA CYS 2 3.307 5.671 7.516 15 1HB CYS 2 HB2 CYS 2 1.144 7.132 7.977 16 2HB CYS 2 HB1 CYS 2 1.075 5.386 7.910 17 H SER 3 HN SER 3 2.487 8.221 7.092 18 HA SER 3 HA SER 3 4.796 9.717 8.045 19 1HB SER 3 HB2 SER 3 3.927 11.403 6.333 20 2HB SER 3 HB1 SER 3 4.467 9.843 5.716 21 HG SER 3 HG SER 3 2.377 10.662 4.918 22 H THR 4 HN THR 4 1.486 10.859 7.443 23 HA THR 4 HA THR 4 1.706 12.716 9.646 24 HB THR 4 HB THR 4 0.622 13.446 7.570 25 HG1 THR 4 HG1 THR 4 -0.991 14.508 8.588 26 1HG2 THR 4 HG21 THR 4 -1.594 12.588 6.948 27 2HG2 THR 4 HG22 THR 4 -1.453 11.330 8.168 28 3HG2 THR 4 HG23 THR 4 -0.346 11.360 6.798 29 H CYS 5 HN CYS 5 0.219 9.612 9.022 30 HA CYS 5 HA CYS 5 -1.018 8.229 10.298 31 1HB CYS 5 HB2 CYS 5 0.805 9.486 12.354 32 2HB CYS 5 HB1 CYS 5 -0.137 8.024 12.648 33 H LEU 6 HN LEU 6 -2.726 9.948 9.729 34 HA LEU 6 HA LEU 6 -4.237 10.350 12.232 35 1HB LEU 6 HB2 LEU 6 -4.181 12.221 9.851 36 2HB LEU 6 HB1 LEU 6 -5.317 12.335 11.186 37 HG LEU 6 HG LEU 6 -2.319 12.650 11.431 38 1HD1 LEU 6 HD11 LEU 6 -3.326 14.474 10.150 39 2HD1 LEU 6 HD12 LEU 6 -2.784 15.025 11.734 40 3HD1 LEU 6 HD13 LEU 6 -4.501 14.738 11.440 41 1HD2 LEU 6 HD21 LEU 6 -3.328 11.826 13.478 42 2HD2 LEU 6 HD22 LEU 6 -4.556 13.091 13.413 43 3HD2 LEU 6 HD23 LEU 6 -2.863 13.512 13.674 44 H ASP 7 HN ASP 7 -4.696 10.629 8.721 45 HA ASP 7 HA ASP 7 -6.393 8.255 8.765 46 1HB ASP 7 HB2 ASP 7 -8.015 10.079 8.936 47 2HB ASP 7 HB1 ASP 7 -7.283 10.892 7.556 48 H LEU 8 HN LEU 8 -5.980 6.991 7.029 49 HA LEU 8 HA LEU 8 -4.461 8.206 4.794 50 1HB LEU 8 HB2 LEU 8 -4.106 5.500 6.063 51 2HB LEU 8 HB1 LEU 8 -3.459 5.913 4.487 52 HG LEU 8 HG LEU 8 -2.150 7.759 5.608 53 1HD1 LEU 8 HD11 LEU 8 -1.751 7.097 8.134 54 2HD1 LEU 8 HD12 LEU 8 -3.415 6.528 8.012 55 3HD1 LEU 8 HD13 LEU 8 -3.022 8.208 7.660 56 1HD2 LEU 8 HD21 LEU 8 -1.596 4.925 6.483 57 2HD2 LEU 8 HD22 LEU 8 -0.423 6.242 6.412 58 3HD2 LEU 8 HD23 LEU 8 -1.154 5.634 4.929 59 H ALA 9 HN ALA 9 -7.288 7.068 5.677 60 HA ALA 9 HA ALA 9 -7.985 5.021 3.999 61 1HB ALA 9 HB1 ALA 9 -9.350 5.519 5.845 62 2HB ALA 9 HB2 ALA 9 -10.338 5.864 4.432 63 3HB ALA 9 HB3 ALA 9 -9.592 7.180 5.319 64 H CYS 10 HN CYS 10 -7.045 5.530 1.972 65 HA CYS 10 HA CYS 10 -7.024 6.228 -0.155 66 1HB CYS 10 HB2 CYS 10 -9.909 6.911 0.453 67 2HB CYS 10 HB1 CYS 10 -9.194 7.083 -1.137 68 H THR 11 HN THR 11 -5.731 7.832 1.464 69 HA THR 11 HA THR 11 -6.573 10.601 1.113 70 HB THR 11 HB THR 11 -4.165 11.017 2.015 71 HG1 THR 11 HG1 THR 11 -4.353 8.254 2.714 72 1HG2 THR 11 HG21 THR 11 -4.842 10.713 4.244 73 2HG2 THR 11 HG22 THR 11 -5.988 9.446 3.815 74 3HG2 THR 11 HG23 THR 11 -6.298 11.117 3.343 75 H GLY 12 HN GLY 12 -6.014 8.704 -1.205 76 1HA GLY 12 HA2 GLY 12 -5.394 9.379 -3.361 77 2HA GLY 12 HA1 GLY 12 -4.147 10.410 -2.677 78 H SER 13 HN SER 13 -4.352 7.857 -4.506 79 HA SER 13 HA SER 13 -2.889 5.814 -3.249 80 1HB SER 13 HB2 SER 13 -2.826 6.575 -6.184 81 2HB SER 13 HB1 SER 13 -2.414 5.005 -5.488 82 HG SER 13 HG SER 13 -4.526 4.971 -6.275 83 H LYS 14 HN LYS 14 -1.845 8.606 -5.158 84 HA LYS 14 HA LYS 14 0.912 8.102 -5.080 85 1HB LYS 14 HB2 LYS 14 1.193 10.459 -5.713 86 2HB LYS 14 HB1 LYS 14 0.012 9.607 -6.699 87 1HG LYS 14 HG2 LYS 14 -1.802 10.612 -5.364 88 2HG LYS 14 HG1 LYS 14 -0.594 11.499 -4.435 89 1HD LYS 14 HD2 LYS 14 0.140 12.656 -6.434 90 2HD LYS 14 HD1 LYS 14 -0.979 11.714 -7.423 91 1HE LYS 14 HE2 LYS 14 -1.867 13.928 -6.993 92 2HE LYS 14 HE1 LYS 14 -2.867 12.701 -6.219 93 1HZ LYS 14 HZ1 LYS 14 -1.909 13.220 -4.116 94 2HZ LYS 14 HZ2 LYS 14 -2.409 14.668 -4.825 95 3HZ LYS 14 HZ3 LYS 14 -0.769 14.264 -4.809 96 H ASP 15 HN ASP 15 -1.180 9.125 -2.609 97 HA ASP 15 HA ASP 15 0.902 10.377 -1.025 98 1HB ASP 15 HB2 ASP 15 -1.324 11.298 -0.787 99 2HB ASP 15 HB1 ASP 15 -1.982 9.717 -0.394 100 H CYS 16 HN CYS 16 -1.299 7.609 -0.737 101 HA CYS 16 HA CYS 16 -0.092 6.627 1.583 102 1HB CYS 16 HB2 CYS 16 -2.431 6.203 0.825 103 2HB CYS 16 HB1 CYS 16 -1.797 5.056 -0.351 104 H TYR 17 HN TYR 17 0.941 6.263 -1.695 105 HA TYR 17 HA TYR 17 2.252 3.800 -1.657 106 1HB TYR 17 HB2 TYR 17 3.087 6.440 -2.873 107 2HB TYR 17 HB1 TYR 17 3.981 4.950 -3.142 108 HD1 TYR 17 HD1 TYR 17 2.489 6.872 -5.121 109 HD2 TYR 17 HD2 TYR 17 1.540 3.095 -3.401 110 HE1 TYR 17 HE1 TYR 17 1.062 6.351 -7.050 111 HE2 TYR 17 HE2 TYR 17 0.132 2.575 -5.331 112 HH TYR 17 HH TYR 17 -1.166 4.504 -7.259 113 H ALA 18 HN ALA 18 3.249 6.925 -0.352 114 HA ALA 18 HA ALA 18 5.841 6.110 0.390 115 1HB ALA 18 HB1 ALA 18 5.350 8.213 2.065 116 2HB ALA 18 HB2 ALA 18 4.185 8.496 0.773 117 3HB ALA 18 HB3 ALA 18 5.893 8.327 0.395 118 HA PRO 19 HA PRO 19 4.164 5.581 4.960 119 1HB PRO 19 HB2 PRO 19 1.276 5.080 4.395 120 2HB PRO 19 HB1 PRO 19 2.043 5.923 5.746 121 1HG PRO 19 HG2 PRO 19 0.812 7.277 3.825 122 2HG PRO 19 HG1 PRO 19 2.322 7.879 4.537 123 1HD PRO 19 HD2 PRO 19 1.901 6.521 1.936 124 2HD PRO 19 HD1 PRO 19 2.930 7.867 2.325 125 H CYS 20 HN CYS 20 2.474 3.870 2.317 126 HA CYS 20 HA CYS 20 2.400 1.350 3.610 127 1HB CYS 20 HB2 CYS 20 1.021 1.790 1.657 128 2HB CYS 20 HB1 CYS 20 2.454 2.019 0.661 129 H ARG 21 HN ARG 21 4.779 2.887 1.468 130 HA ARG 21 HA ARG 21 6.599 0.696 1.421 131 1HB ARG 21 HB2 ARG 21 6.723 2.457 -0.232 132 2HB ARG 21 HB1 ARG 21 7.024 3.656 0.994 133 1HG ARG 21 HG2 ARG 21 9.179 2.763 1.459 134 2HG ARG 21 HG1 ARG 21 8.877 1.352 0.441 135 1HD ARG 21 HD2 ARG 21 10.318 3.015 -0.644 136 2HD ARG 21 HD1 ARG 21 8.822 2.732 -1.519 137 HE ARG 21 HE ARG 21 8.732 4.985 0.296 138 1HH1 ARG 21 HH11 ARG 21 9.580 3.942 -2.957 139 2HH1 ARG 21 HH12 ARG 21 9.372 5.512 -3.631 140 1HH2 ARG 21 HH21 ARG 21 8.478 7.052 -0.609 141 2HH2 ARG 21 HH22 ARG 21 8.752 7.292 -2.303 142 H LYS 22 HN LYS 22 6.139 3.471 3.542 143 HA LYS 22 HA LYS 22 8.479 3.173 5.095 144 1HB LYS 22 HB2 LYS 22 5.777 4.356 5.743 145 2HB LYS 22 HB1 LYS 22 7.150 4.438 6.817 146 1HG LYS 22 HG2 LYS 22 8.409 5.677 5.126 147 2HG LYS 22 HG1 LYS 22 7.035 5.595 4.049 148 1HD LYS 22 HD2 LYS 22 6.723 7.676 4.942 149 2HD LYS 22 HD1 LYS 22 5.740 6.716 6.042 150 1HE LYS 22 HE2 LYS 22 8.592 7.590 6.534 151 2HE LYS 22 HE1 LYS 22 7.158 8.360 7.202 152 1HZ LYS 22 HZ1 LYS 22 7.873 6.995 8.888 153 2HZ LYS 22 HZ2 LYS 22 8.319 5.737 7.858 154 3HZ LYS 22 HZ3 LYS 22 6.681 6.041 8.168 155 H GLN 23 HN GLN 23 5.257 1.725 5.342 156 HA GLN 23 HA GLN 23 5.846 0.475 7.878 157 1HB GLN 23 HB2 GLN 23 3.515 0.114 5.983 158 2HB GLN 23 HB1 GLN 23 3.647 -0.576 7.597 159 1HG GLN 23 HG2 GLN 23 3.735 1.673 8.508 160 2HG GLN 23 HG1 GLN 23 3.540 2.361 6.936 161 1HE2 GLN 23 HE21 GLN 23 1.902 -0.533 8.135 162 2HE2 GLN 23 HE22 GLN 23 0.345 0.177 8.135 163 H THR 24 HN THR 24 5.237 -0.768 4.568 164 HA THR 24 HA THR 24 6.027 -3.426 5.488 165 HB THR 24 HB THR 24 5.220 -4.185 3.330 166 HG1 THR 24 HG1 THR 24 4.611 -2.802 1.739 167 1HG2 THR 24 HG21 THR 24 3.314 -2.281 4.626 168 2HG2 THR 24 HG22 THR 24 3.604 -3.954 5.107 169 3HG2 THR 24 HG23 THR 24 2.874 -3.599 3.541 170 H GLY 25 HN GLY 25 7.300 -0.883 3.426 171 1HA GLY 25 HA2 GLY 25 9.645 -0.819 2.913 172 2HA GLY 25 HA1 GLY 25 9.671 -2.573 2.869 173 H CYS 26 HN CYS 26 6.872 -2.151 1.464 174 HA CYS 26 HA CYS 26 8.013 -1.761 -1.208 175 1HB CYS 26 HB2 CYS 26 5.695 -3.483 -0.369 176 2HB CYS 26 HB1 CYS 26 6.241 -3.255 -2.020 177 HA PRO 27 HA PRO 27 5.184 1.692 -1.238 178 1HB PRO 27 HB2 PRO 27 5.837 2.711 -3.623 179 2HB PRO 27 HB1 PRO 27 6.999 2.684 -2.306 180 1HG PRO 27 HG2 PRO 27 6.752 0.812 -4.625 181 2HG PRO 27 HG1 PRO 27 8.208 1.572 -3.956 182 1HD PRO 27 HD2 PRO 27 7.409 -0.994 -3.377 183 2HD PRO 27 HD1 PRO 27 8.414 0.006 -2.307 184 H ASN 28 HN ASN 28 4.385 -1.111 -2.419 185 HA ASN 28 HA ASN 28 2.610 -0.293 -4.560 186 1HB ASN 28 HB2 ASN 28 3.209 -2.986 -3.327 187 2HB ASN 28 HB1 ASN 28 2.065 -2.738 -4.630 188 1HD2 ASN 28 HD21 ASN 28 2.822 -1.986 -6.666 189 2HD2 ASN 28 HD22 ASN 28 4.463 -2.280 -7.119 190 H ALA 29 HN ALA 29 1.092 0.993 -3.563 191 HA ALA 29 HA ALA 29 -0.790 -0.431 -1.796 192 1HB ALA 29 HB1 ALA 29 -0.257 1.036 -0.211 193 2HB ALA 29 HB2 ALA 29 -1.143 2.222 -1.159 194 3HB ALA 29 HB3 ALA 29 0.605 2.086 -1.329 195 H LYS 30 HN LYS 30 -2.997 0.565 -1.850 196 HA LYS 30 HA LYS 30 -3.656 2.217 -4.109 197 1HB LYS 30 HB2 LYS 30 -3.426 -0.148 -5.060 198 2HB LYS 30 HB1 LYS 30 -4.848 -0.570 -4.111 199 1HG LYS 30 HG2 LYS 30 -6.054 1.283 -5.306 200 2HG LYS 30 HG1 LYS 30 -4.639 1.452 -6.336 201 1HD LYS 30 HD2 LYS 30 -4.945 -0.897 -7.014 202 2HD LYS 30 HD1 LYS 30 -6.396 -0.983 -6.017 203 1HE LYS 30 HE2 LYS 30 -5.921 0.829 -8.384 204 2HE LYS 30 HE1 LYS 30 -6.971 -0.585 -8.342 205 1HZ LYS 30 HZ1 LYS 30 -8.345 1.282 -8.088 206 2HZ LYS 30 HZ2 LYS 30 -7.344 1.993 -6.931 207 3HZ LYS 30 HZ3 LYS 30 -8.239 0.608 -6.541 208 H CYS 31 HN CYS 31 -5.957 2.732 -4.176 209 HA CYS 31 HA CYS 31 -7.128 2.716 -1.495 210 1HB CYS 31 HB2 CYS 31 -7.041 4.891 -2.321 211 2HB CYS 31 HB1 CYS 31 -7.477 4.405 -3.955 212 H ILE 32 HN ILE 32 -8.633 1.235 -1.042 213 HA ILE 32 HA ILE 32 -10.746 0.739 -3.002 214 HB ILE 32 HB ILE 32 -10.860 -1.657 -2.553 215 1HG1 ILE 32 HG12 ILE 32 -8.177 -1.420 -1.202 216 2HG1 ILE 32 HG11 ILE 32 -9.666 -1.550 -0.312 217 1HG2 ILE 32 HG21 ILE 32 -9.653 -0.875 -4.526 218 2HG2 ILE 32 HG22 ILE 32 -8.994 -2.389 -3.913 219 3HG2 ILE 32 HG23 ILE 32 -8.148 -0.871 -3.605 220 1HD1 ILE 32 HD11 ILE 32 -8.535 -3.606 -2.160 221 2HD1 ILE 32 HD12 ILE 32 -10.131 -3.694 -1.413 222 3HD1 ILE 32 HD13 ILE 32 -8.683 -3.691 -0.407 223 H ASN 33 HN ASN 33 -12.725 0.494 -2.093 224 HA ASN 33 HA ASN 33 -14.363 0.771 -0.567 225 1HB ASN 33 HB2 ASN 33 -13.375 -1.598 -0.133 226 2HB ASN 33 HB1 ASN 33 -12.709 -0.899 1.338 227 1HD2 ASN 33 HD21 ASN 33 -15.602 -1.850 -0.343 228 2HD2 ASN 33 HD22 ASN 33 -16.654 -1.739 1.023 229 H LYS 34 HN LYS 34 -12.641 2.917 -0.579 230 HA LYS 34 HA LYS 34 -11.949 4.722 0.560 231 1HB LYS 34 HB2 LYS 34 -14.112 3.757 2.391 232 2HB LYS 34 HB1 LYS 34 -13.211 5.231 2.725 233 1HG LYS 34 HG2 LYS 34 -13.897 6.076 0.488 234 2HG LYS 34 HG1 LYS 34 -14.938 4.655 0.338 235 1HD LYS 34 HD2 LYS 34 -16.162 5.313 2.331 236 2HD LYS 34 HD1 LYS 34 -15.090 6.700 2.556 237 1HE LYS 34 HE2 LYS 34 -17.182 7.384 1.531 238 2HE LYS 34 HE1 LYS 34 -15.838 7.623 0.416 239 1HZ LYS 34 HZ1 LYS 34 -16.467 5.707 -0.807 240 2HZ LYS 34 HZ2 LYS 34 -17.870 6.615 -0.574 241 3HZ LYS 34 HZ3 LYS 34 -17.604 5.230 0.356 242 H SER 35 HN SER 35 -10.368 2.396 0.920 243 HA SER 35 HA SER 35 -8.974 3.238 3.330 244 1HB SER 35 HB2 SER 35 -10.575 1.292 3.898 245 2HB SER 35 HB1 SER 35 -9.492 0.282 2.941 246 HG SER 35 HG SER 35 -8.998 0.359 5.217 247 H CYS 36 HN CYS 36 -6.758 2.762 3.247 248 HA CYS 36 HA CYS 36 -5.794 2.175 0.551 249 1HB CYS 36 HB2 CYS 36 -4.857 4.116 1.669 250 2HB CYS 36 HB1 CYS 36 -4.314 3.112 3.012 251 H LYS 37 HN LYS 37 -4.953 0.261 0.004 252 HA LYS 37 HA LYS 37 -4.173 -1.591 2.171 253 1HB LYS 37 HB2 LYS 37 -4.861 -3.441 0.668 254 2HB LYS 37 HB1 LYS 37 -6.171 -2.435 1.209 255 1HG LYS 37 HG2 LYS 37 -6.627 -2.863 -1.025 256 2HG LYS 37 HG1 LYS 37 -6.057 -1.210 -0.996 257 1HD LYS 37 HD2 LYS 37 -5.174 -2.479 -2.883 258 2HD LYS 37 HD1 LYS 37 -3.885 -1.961 -1.840 259 1HE LYS 37 HE2 LYS 37 -3.522 -4.234 -2.548 260 2HE LYS 37 HE1 LYS 37 -3.837 -4.227 -0.825 261 1HZ LYS 37 HZ1 LYS 37 -5.875 -4.811 -2.906 262 2HZ LYS 37 HZ2 LYS 37 -6.070 -4.953 -1.230 263 3HZ LYS 37 HZ3 LYS 37 -5.012 -5.984 -2.047 264 H CYS 38 HN CYS 38 -2.436 -2.995 1.719 265 HA CYS 38 HA CYS 38 -0.635 -2.004 -0.410 266 1HB CYS 38 HB2 CYS 38 -0.010 -3.401 2.193 267 2HB CYS 38 HB1 CYS 38 1.183 -3.027 0.954 268 H TYR 39 HN TYR 39 0.445 -3.554 -1.688 269 HA TYR 39 HA TYR 39 -1.214 -5.843 -2.249 270 1HB TYR 39 HB2 TYR 39 1.306 -4.753 -3.496 271 2HB TYR 39 HB1 TYR 39 0.582 -6.261 -4.040 272 HD1 TYR 39 HD1 TYR 39 0.182 -2.626 -3.955 273 HD2 TYR 39 HD2 TYR 39 -1.529 -6.277 -5.244 274 HE1 TYR 39 HE1 TYR 39 -1.294 -1.368 -5.436 275 HE2 TYR 39 HE2 TYR 39 -3.032 -5.038 -6.740 276 HH TYR 39 HH TYR 39 -4.009 -2.699 -6.863 277 H GLY 40 HN GLY 40 1.028 -5.488 0.100 278 1HA GLY 40 HA2 GLY 40 1.489 -7.326 1.481 279 2HA GLY 40 HA1 GLY 40 1.617 -8.365 0.076 280 H CYS 41 HN CYS 41 3.413 -7.346 2.417 281 HA CYS 41 HA CYS 41 5.869 -7.678 1.045 282 1HB CYS 41 HB2 CYS 41 5.268 -5.319 0.390 283 2HB CYS 41 HB1 CYS 41 5.377 -4.887 2.047 Start of MODEL 25 1 1H TRP 1 HT1 TRP 1 7.657 1.902 11.145 2 2H TRP 1 HT2 TRP 1 7.013 2.199 9.579 3 3H TRP 1 HT3 TRP 1 7.047 0.605 10.201 4 HA TRP 1 HA TRP 1 4.868 1.469 10.294 5 1HB TRP 1 HB2 TRP 1 6.236 1.254 12.983 6 2HB TRP 1 HB1 TRP 1 4.487 1.271 12.778 7 HD1 TRP 1 HD1 TRP 1 4.066 -0.716 10.440 8 HE1 TRP 1 HE1 TRP 1 4.586 -3.218 10.730 9 HE3 TRP 1 HE3 TRP 1 7.310 -0.413 14.373 10 HZ2 TRP 1 HZ2 TRP 1 6.158 -4.849 12.412 11 HZ3 TRP 1 HZ3 TRP 1 8.274 -2.492 15.269 12 HH2 TRP 1 HH2 TRP 1 7.708 -4.664 14.307 13 H CYS 2 HN CYS 2 4.151 3.426 9.736 14 HA CYS 2 HA CYS 2 5.056 5.803 11.195 15 1HB CYS 2 HB2 CYS 2 3.692 7.019 9.451 16 2HB CYS 2 HB1 CYS 2 5.079 6.114 8.882 17 H SER 3 HN SER 3 3.970 6.442 12.938 18 HA SER 3 HA SER 3 1.396 5.377 13.609 19 1HB SER 3 HB2 SER 3 2.853 7.689 14.917 20 2HB SER 3 HB1 SER 3 1.582 6.685 15.621 21 HG SER 3 HG SER 3 3.821 6.146 16.195 22 H THR 4 HN THR 4 2.502 8.195 11.930 23 HA THR 4 HA THR 4 -0.011 9.625 12.191 24 HB THR 4 HB THR 4 2.143 10.873 12.025 25 HG1 THR 4 HG1 THR 4 0.387 12.050 11.383 26 1HG2 THR 4 HG21 THR 4 3.366 10.999 9.982 27 2HG2 THR 4 HG22 THR 4 2.207 9.975 9.146 28 3HG2 THR 4 HG23 THR 4 3.236 9.298 10.406 29 H CYS 5 HN CYS 5 0.171 6.882 10.923 30 HA CYS 5 HA CYS 5 -1.026 7.572 8.335 31 1HB CYS 5 HB2 CYS 5 0.401 5.060 9.202 32 2HB CYS 5 HB1 CYS 5 -0.449 5.240 7.681 33 H LEU 6 HN LEU 6 -2.664 8.034 10.220 34 HA LEU 6 HA LEU 6 -4.442 5.672 10.340 35 1HB LEU 6 HB2 LEU 6 -3.704 6.521 12.562 36 2HB LEU 6 HB1 LEU 6 -4.403 8.080 12.168 37 HG LEU 6 HG LEU 6 -6.640 6.989 12.006 38 1HD1 LEU 6 HD11 LEU 6 -5.950 4.725 11.483 39 2HD1 LEU 6 HD12 LEU 6 -6.911 4.737 12.956 40 3HD1 LEU 6 HD13 LEU 6 -5.157 4.577 13.051 41 1HD2 LEU 6 HD21 LEU 6 -5.211 6.612 14.636 42 2HD2 LEU 6 HD22 LEU 6 -6.956 6.734 14.405 43 3HD2 LEU 6 HD23 LEU 6 -5.923 8.117 14.051 44 H ASP 7 HN ASP 7 -4.113 9.124 9.734 45 HA ASP 7 HA ASP 7 -6.822 9.330 8.674 46 1HB ASP 7 HB2 ASP 7 -4.589 11.274 9.219 47 2HB ASP 7 HB1 ASP 7 -5.908 11.734 8.150 48 H LEU 8 HN LEU 8 -5.765 7.494 7.152 49 HA LEU 8 HA LEU 8 -4.794 8.897 4.746 50 1HB LEU 8 HB2 LEU 8 -3.839 6.647 4.107 51 2HB LEU 8 HB1 LEU 8 -3.048 7.533 5.373 52 HG LEU 8 HG LEU 8 -4.184 6.086 7.058 53 1HD1 LEU 8 HD11 LEU 8 -5.130 4.615 4.607 54 2HD1 LEU 8 HD12 LEU 8 -6.099 5.285 5.915 55 3HD1 LEU 8 HD13 LEU 8 -5.071 3.893 6.212 56 1HD2 LEU 8 HD21 LEU 8 -2.718 4.213 6.757 57 2HD2 LEU 8 HD22 LEU 8 -1.893 5.688 6.259 58 3HD2 LEU 8 HD23 LEU 8 -2.531 4.586 5.042 59 H ALA 9 HN ALA 9 -7.536 8.256 5.799 60 HA ALA 9 HA ALA 9 -8.769 6.224 4.454 61 1HB ALA 9 HB1 ALA 9 -9.965 8.891 5.150 62 2HB ALA 9 HB2 ALA 9 -9.773 7.529 6.255 63 3HB ALA 9 HB3 ALA 9 -10.830 7.390 4.865 64 H CYS 10 HN CYS 10 -7.841 6.128 2.345 65 HA CYS 10 HA CYS 10 -7.551 6.577 0.197 66 1HB CYS 10 HB2 CYS 10 -10.393 7.280 0.634 67 2HB CYS 10 HB1 CYS 10 -9.692 7.931 -0.841 68 H THR 11 HN THR 11 -6.020 8.002 1.434 69 HA THR 11 HA THR 11 -6.363 10.848 1.061 70 HB THR 11 HB THR 11 -5.061 9.970 2.957 71 HG1 THR 11 HG1 THR 11 -3.412 11.424 1.128 72 1HG2 THR 11 HG21 THR 11 -3.317 8.767 0.813 73 2HG2 THR 11 HG22 THR 11 -4.088 7.988 2.179 74 3HG2 THR 11 HG23 THR 11 -2.743 9.073 2.443 75 H GLY 12 HN GLY 12 -6.002 8.515 -1.142 76 1HA GLY 12 HA2 GLY 12 -5.664 9.032 -3.413 77 2HA GLY 12 HA1 GLY 12 -4.403 10.171 -2.962 78 H SER 13 HN SER 13 -4.540 7.596 -4.646 79 HA SER 13 HA SER 13 -3.076 5.574 -3.426 80 1HB SER 13 HB2 SER 13 -2.319 5.081 -5.856 81 2HB SER 13 HB1 SER 13 -4.043 5.054 -5.493 82 HG SER 13 HG SER 13 -3.373 6.270 -7.413 83 H LYS 14 HN LYS 14 -1.883 8.409 -5.230 84 HA LYS 14 HA LYS 14 0.839 7.731 -5.062 85 1HB LYS 14 HB2 LYS 14 1.336 9.932 -5.795 86 2HB LYS 14 HB1 LYS 14 -0.108 9.385 -6.634 87 1HG LYS 14 HG2 LYS 14 -1.506 10.714 -5.145 88 2HG LYS 14 HG1 LYS 14 -0.087 11.221 -4.239 89 1HD LYS 14 HD2 LYS 14 -0.659 12.990 -5.718 90 2HD LYS 14 HD1 LYS 14 0.825 12.248 -6.314 91 1HE LYS 14 HE2 LYS 14 -0.595 12.657 -8.179 92 2HE LYS 14 HE1 LYS 14 -0.588 10.921 -7.920 93 1HZ LYS 14 HZ1 LYS 14 -2.806 11.834 -8.357 94 2HZ LYS 14 HZ2 LYS 14 -2.709 12.769 -6.953 95 3HZ LYS 14 HZ3 LYS 14 -2.721 11.080 -6.849 96 H ASP 15 HN ASP 15 -1.319 9.038 -2.713 97 HA ASP 15 HA ASP 15 0.841 10.009 -1.019 98 1HB ASP 15 HB2 ASP 15 -1.466 11.119 -1.201 99 2HB ASP 15 HB1 ASP 15 -2.070 9.788 -0.240 100 H CYS 16 HN CYS 16 -1.521 7.381 -1.207 101 HA CYS 16 HA CYS 16 -0.990 6.145 1.253 102 1HB CYS 16 HB2 CYS 16 -1.897 4.958 -1.371 103 2HB CYS 16 HB1 CYS 16 -1.885 4.082 0.135 104 H TYR 17 HN TYR 17 0.776 6.154 -1.753 105 HA TYR 17 HA TYR 17 2.363 3.885 -1.470 106 1HB TYR 17 HB2 TYR 17 3.005 6.606 -2.622 107 2HB TYR 17 HB1 TYR 17 4.075 5.216 -2.783 108 HD1 TYR 17 HD1 TYR 17 1.461 3.328 -3.056 109 HD2 TYR 17 HD2 TYR 17 2.972 6.745 -5.104 110 HE1 TYR 17 HE1 TYR 17 0.309 2.628 -5.089 111 HE2 TYR 17 HE2 TYR 17 1.796 6.030 -7.139 112 HH TYR 17 HH TYR 17 -0.554 4.262 -7.389 113 H ALA 18 HN ALA 18 2.659 7.026 0.097 114 HA ALA 18 HA ALA 18 5.263 6.580 1.104 115 1HB ALA 18 HB1 ALA 18 4.896 8.770 1.218 116 2HB ALA 18 HB2 ALA 18 4.291 8.418 2.833 117 3HB ALA 18 HB3 ALA 18 3.168 8.607 1.488 118 HA PRO 19 HA PRO 19 3.076 5.299 5.337 119 1HB PRO 19 HB2 PRO 19 0.502 4.381 4.121 120 2HB PRO 19 HB1 PRO 19 0.787 5.056 5.707 121 1HG PRO 19 HG2 PRO 19 -0.301 6.522 3.801 122 2HG PRO 19 HG1 PRO 19 0.907 7.241 4.883 123 1HD PRO 19 HD2 PRO 19 1.201 6.332 2.082 124 2HD PRO 19 HD1 PRO 19 1.913 7.712 2.889 125 H CYS 20 HN CYS 20 1.995 3.667 2.369 126 HA CYS 20 HA CYS 20 2.212 1.038 3.305 127 1HB CYS 20 HB2 CYS 20 1.081 1.725 1.197 128 2HB CYS 20 HB1 CYS 20 2.657 2.003 0.464 129 H ARG 21 HN ARG 21 4.576 3.115 1.669 130 HA ARG 21 HA ARG 21 6.662 1.201 1.542 131 1HB ARG 21 HB2 ARG 21 6.539 3.288 0.205 132 2HB ARG 21 HB1 ARG 21 6.844 4.222 1.656 133 1HG ARG 21 HG2 ARG 21 9.046 3.270 1.867 134 2HG ARG 21 HG1 ARG 21 8.745 2.187 0.504 135 1HD ARG 21 HD2 ARG 21 8.506 4.108 -0.970 136 2HD ARG 21 HD1 ARG 21 8.771 5.204 0.376 137 HE ARG 21 HE ARG 21 11.003 3.715 0.427 138 1HH1 ARG 21 HH11 ARG 21 9.398 5.429 -2.199 139 2HH1 ARG 21 HH12 ARG 21 10.871 5.717 -3.043 140 1HH2 ARG 21 HH21 ARG 21 12.924 4.130 -0.711 141 2HH2 ARG 21 HH22 ARG 21 12.864 4.993 -2.212 142 H LYS 22 HN LYS 22 5.799 3.686 3.919 143 HA LYS 22 HA LYS 22 8.049 3.308 5.603 144 1HB LYS 22 HB2 LYS 22 5.379 4.646 5.835 145 2HB LYS 22 HB1 LYS 22 6.345 4.427 7.288 146 1HG LYS 22 HG2 LYS 22 8.161 5.673 6.352 147 2HG LYS 22 HG1 LYS 22 7.319 5.822 4.807 148 1HD LYS 22 HD2 LYS 22 5.650 7.221 5.737 149 2HD LYS 22 HD1 LYS 22 6.169 6.874 7.383 150 1HE LYS 22 HE2 LYS 22 6.877 9.099 6.616 151 2HE LYS 22 HE1 LYS 22 8.230 8.056 7.050 152 1HZ LYS 22 HZ1 LYS 22 7.292 8.421 4.256 153 2HZ LYS 22 HZ2 LYS 22 8.729 7.695 4.782 154 3HZ LYS 22 HZ3 LYS 22 8.508 9.358 4.965 155 H GLN 23 HN GLN 23 5.086 1.524 5.271 156 HA GLN 23 HA GLN 23 5.477 0.249 7.887 157 1HB GLN 23 HB2 GLN 23 3.239 0.933 7.454 158 2HB GLN 23 HB1 GLN 23 3.232 0.134 5.887 159 1HG GLN 23 HG2 GLN 23 3.241 -2.017 6.870 160 2HG GLN 23 HG1 GLN 23 3.581 -1.364 8.470 161 1HE2 GLN 23 HE21 GLN 23 1.379 -3.063 7.434 162 2HE2 GLN 23 HE22 GLN 23 -0.061 -2.220 7.878 163 H THR 24 HN THR 24 5.042 -0.748 4.468 164 HA THR 24 HA THR 24 5.877 -3.443 5.190 165 HB THR 24 HB THR 24 5.258 -4.056 2.928 166 HG1 THR 24 HG1 THR 24 4.770 -2.558 1.382 167 1HG2 THR 24 HG21 THR 24 3.221 -2.185 4.106 168 2HG2 THR 24 HG22 THR 24 3.456 -3.874 4.561 169 3HG2 THR 24 HG23 THR 24 2.902 -3.465 2.938 170 H GLY 25 HN GLY 25 7.168 -0.668 3.454 171 1HA GLY 25 HA2 GLY 25 9.516 -0.421 3.076 172 2HA GLY 25 HA1 GLY 25 9.678 -2.167 2.978 173 H CYS 26 HN CYS 26 6.892 -1.729 1.437 174 HA CYS 26 HA CYS 26 8.159 -1.252 -1.159 175 1HB CYS 26 HB2 CYS 26 5.864 -3.060 -0.444 176 2HB CYS 26 HB1 CYS 26 6.343 -2.688 -2.087 177 HA PRO 27 HA PRO 27 5.400 2.222 -1.161 178 1HB PRO 27 HB2 PRO 27 6.321 3.437 -3.321 179 2HB PRO 27 HB1 PRO 27 7.401 3.089 -1.979 180 1HG PRO 27 HG2 PRO 27 7.052 1.540 -4.515 181 2HG PRO 27 HG1 PRO 27 8.554 2.095 -3.752 182 1HD PRO 27 HD2 PRO 27 7.497 -0.432 -3.438 183 2HD PRO 27 HD1 PRO 27 8.587 0.360 -2.279 184 H ASN 28 HN ASN 28 4.346 -0.355 -2.505 185 HA ASN 28 HA ASN 28 2.703 0.955 -4.567 186 1HB ASN 28 HB2 ASN 28 2.349 -1.285 -5.520 187 2HB ASN 28 HB1 ASN 28 4.030 -0.779 -5.536 188 1HD2 ASN 28 HD21 ASN 28 2.902 -3.449 -5.712 189 2HD2 ASN 28 HD22 ASN 28 3.589 -4.333 -4.397 190 H ALA 29 HN ALA 29 0.822 1.515 -3.739 191 HA ALA 29 HA ALA 29 -0.823 -0.432 -2.376 192 1HB ALA 29 HB1 ALA 29 -1.097 2.218 -1.170 193 2HB ALA 29 HB2 ALA 29 0.489 1.504 -0.926 194 3HB ALA 29 HB3 ALA 29 -0.950 0.629 -0.421 195 H LYS 30 HN LYS 30 -3.080 0.200 -2.244 196 HA LYS 30 HA LYS 30 -3.943 2.270 -4.151 197 1HB LYS 30 HB2 LYS 30 -3.832 0.097 -5.344 198 2HB LYS 30 HB1 LYS 30 -4.935 -0.598 -4.184 199 1HG LYS 30 HG2 LYS 30 -6.172 -0.066 -6.116 200 2HG LYS 30 HG1 LYS 30 -6.627 1.109 -4.887 201 1HD LYS 30 HD2 LYS 30 -5.206 2.782 -5.889 202 2HD LYS 30 HD1 LYS 30 -4.583 1.611 -7.056 203 1HE LYS 30 HE2 LYS 30 -7.448 2.546 -6.846 204 2HE LYS 30 HE1 LYS 30 -6.275 3.066 -8.054 205 1HZ LYS 30 HZ1 LYS 30 -7.562 1.413 -9.064 206 2HZ LYS 30 HZ2 LYS 30 -7.479 0.383 -7.731 207 3HZ LYS 30 HZ3 LYS 30 -6.105 0.641 -8.687 208 H CYS 31 HN CYS 31 -5.638 3.424 -3.282 209 HA CYS 31 HA CYS 31 -6.589 2.531 -0.712 210 1HB CYS 31 HB2 CYS 31 -7.222 4.628 -0.263 211 2HB CYS 31 HB1 CYS 31 -6.065 4.994 -1.523 212 H ILE 32 HN ILE 32 -8.168 1.169 -0.501 213 HA ILE 32 HA ILE 32 -10.562 1.434 -2.198 214 HB ILE 32 HB ILE 32 -10.831 -1.046 -2.124 215 1HG1 ILE 32 HG12 ILE 32 -7.908 -1.089 -1.317 216 2HG1 ILE 32 HG11 ILE 32 -9.224 -1.393 -0.197 217 1HG2 ILE 32 HG21 ILE 32 -8.341 -0.109 -3.543 218 2HG2 ILE 32 HG22 ILE 32 -9.995 0.088 -4.122 219 3HG2 ILE 32 HG23 ILE 32 -9.311 -1.524 -3.951 220 1HD1 ILE 32 HD11 ILE 32 -8.505 -3.031 -2.593 221 2HD1 ILE 32 HD12 ILE 32 -9.942 -3.284 -1.601 222 3HD1 ILE 32 HD13 ILE 32 -8.337 -3.466 -0.894 223 H ASN 33 HN ASN 33 -12.454 1.187 -1.089 224 HA ASN 33 HA ASN 33 -13.829 1.383 0.698 225 1HB ASN 33 HB2 ASN 33 -11.933 -0.688 1.843 226 2HB ASN 33 HB1 ASN 33 -13.413 -0.178 2.645 227 1HD2 ASN 33 HD21 ASN 33 -14.285 -2.238 2.569 228 2HD2 ASN 33 HD22 ASN 33 -14.860 -2.926 1.093 229 H LYS 34 HN LYS 34 -11.693 3.242 0.375 230 HA LYS 34 HA LYS 34 -10.743 4.989 1.405 231 1HB LYS 34 HB2 LYS 34 -12.534 4.157 3.665 232 2HB LYS 34 HB1 LYS 34 -11.476 5.550 3.739 233 1HG LYS 34 HG2 LYS 34 -12.611 6.573 1.866 234 2HG LYS 34 HG1 LYS 34 -13.644 5.153 1.691 235 1HD LYS 34 HD2 LYS 34 -14.778 6.989 2.869 236 2HD LYS 34 HD1 LYS 34 -14.614 5.551 3.878 237 1HE LYS 34 HE2 LYS 34 -12.727 6.540 5.031 238 2HE LYS 34 HE1 LYS 34 -12.784 7.955 3.975 239 1HZ LYS 34 HZ1 LYS 34 -14.975 8.449 4.881 240 2HZ LYS 34 HZ2 LYS 34 -13.810 8.372 6.104 241 3HZ LYS 34 HZ3 LYS 34 -14.887 7.087 5.886 242 H SER 35 HN SER 35 -9.716 2.082 1.802 243 HA SER 35 HA SER 35 -7.789 2.746 3.924 244 1HB SER 35 HB2 SER 35 -8.612 -0.017 3.000 245 2HB SER 35 HB1 SER 35 -7.597 0.403 4.383 246 HG SER 35 HG SER 35 -9.718 -0.039 5.052 247 H CYS 36 HN CYS 36 -5.693 2.855 3.318 248 HA CYS 36 HA CYS 36 -4.978 2.519 0.540 249 1HB CYS 36 HB2 CYS 36 -3.239 3.061 2.949 250 2HB CYS 36 HB1 CYS 36 -2.731 3.161 1.283 251 H LYS 37 HN LYS 37 -5.482 0.313 0.231 252 HA LYS 37 HA LYS 37 -4.132 -1.688 1.821 253 1HB LYS 37 HB2 LYS 37 -6.511 -1.679 0.640 254 2HB LYS 37 HB1 LYS 37 -5.618 -2.351 -0.704 255 1HG LYS 37 HG2 LYS 37 -5.537 -3.487 2.094 256 2HG LYS 37 HG1 LYS 37 -6.726 -3.976 0.890 257 1HD LYS 37 HD2 LYS 37 -3.739 -4.185 0.513 258 2HD LYS 37 HD1 LYS 37 -4.765 -5.490 1.068 259 1HE LYS 37 HE2 LYS 37 -6.053 -5.389 -1.002 260 2HE LYS 37 HE1 LYS 37 -5.034 -4.075 -1.582 261 1HZ LYS 37 HZ1 LYS 37 -4.385 -6.219 -2.484 262 2HZ LYS 37 HZ2 LYS 37 -4.070 -6.802 -0.929 263 3HZ LYS 37 HZ3 LYS 37 -3.146 -5.535 -1.564 264 H CYS 38 HN CYS 38 -2.183 -2.466 1.399 265 HA CYS 38 HA CYS 38 -0.727 -1.616 -0.923 266 1HB CYS 38 HB2 CYS 38 0.007 -3.447 1.356 267 2HB CYS 38 HB1 CYS 38 1.136 -2.915 0.115 268 H TYR 39 HN TYR 39 0.302 -2.977 -2.465 269 HA TYR 39 HA TYR 39 -1.360 -5.204 -3.296 270 1HB TYR 39 HB2 TYR 39 1.163 -4.046 -4.460 271 2HB TYR 39 HB1 TYR 39 0.263 -5.350 -5.205 272 HD1 TYR 39 HD1 TYR 39 -1.913 -4.919 -6.246 273 HD2 TYR 39 HD2 TYR 39 0.362 -1.768 -4.559 274 HE1 TYR 39 HE1 TYR 39 -3.292 -3.279 -7.447 275 HE2 TYR 39 HE2 TYR 39 -1.004 -0.114 -5.735 276 HH TYR 39 HH TYR 39 -2.582 -0.440 -8.160 277 H GLY 40 HN GLY 40 1.067 -4.923 -1.065 278 1HA GLY 40 HA2 GLY 40 1.702 -6.808 0.176 279 2HA GLY 40 HA1 GLY 40 1.703 -7.781 -1.284 280 H CYS 41 HN CYS 41 3.775 -7.171 0.807 281 HA CYS 41 HA CYS 41 5.914 -6.328 -1.054 282 1HB CYS 41 HB2 CYS 41 5.379 -4.607 0.698 283 2HB CYS 41 HB1 CYS 41 5.806 -5.789 1.921
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