NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
8084 | 1lgl | 5184 | cing | recoord | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ARG 1 1H ARG 1 -5.686 5.611 -2.220 2 2H ARG 1 2H ARG 1 -7.234 6.009 -1.789 3 3H ARG 1 3H ARG 1 -6.582 4.567 -1.299 4 HA ARG 1 HA ARG 1 -8.167 4.401 -3.046 5 1HB ARG 1 1HB ARG 1 -6.168 6.237 -4.309 6 2HB ARG 1 2HB ARG 1 -6.762 4.964 -5.355 7 1HG ARG 1 1HG ARG 1 -8.303 6.743 -5.690 8 2HG ARG 1 2HG ARG 1 -9.145 5.658 -4.602 9 1HD ARG 1 1HD ARG 1 -7.438 7.806 -3.354 10 2HD ARG 1 2HD ARG 1 -8.934 8.312 -4.113 11 HE ARG 1 HE ARG 1 -9.556 6.059 -2.503 12 1HH1 ARG 1 1HH1 ARG 1 -8.495 9.392 -2.115 13 2HH1 ARG 1 2HH1 ARG 1 -9.125 9.540 -0.509 14 1HH2 ARG 1 1HH2 ARG 1 -10.386 6.253 -0.381 15 2HH2 ARG 1 2HH2 ARG 1 -10.226 7.749 0.476 16 HA PRO 2 HA PRO 2 -5.725 0.851 -4.148 17 1HB PRO 2 1HB PRO 2 -7.135 -0.154 -6.263 18 2HB PRO 2 2HB PRO 2 -7.559 -0.470 -4.593 19 1HG PRO 2 1HG PRO 2 -8.869 1.343 -6.526 20 2HG PRO 2 2HG PRO 2 -9.502 0.695 -5.026 21 1HD PRO 2 1HD PRO 2 -8.519 3.353 -5.468 22 2HD PRO 2 2HD PRO 2 -9.044 2.670 -3.942 23 H THR 3 H THR 3 -4.121 0.036 -5.567 24 HA THR 3 HA THR 3 -3.661 1.870 -7.822 25 HB THR 3 HB THR 3 -1.216 1.738 -7.200 26 HG1 THR 3 HG1 THR 3 -1.894 -0.355 -5.930 27 1HG2 THR 3 1HG2 THR 3 -2.721 3.585 -6.214 28 2HG2 THR 3 2HG2 THR 3 -2.879 2.559 -4.768 29 3HG2 THR 3 3HG2 THR 3 -1.282 3.183 -5.247 30 H ASP 4 H ASP 4 -1.315 0.576 -8.764 31 HA ASP 4 HA ASP 4 -2.388 -2.075 -9.333 32 1HB ASP 4 1HB ASP 4 -1.188 -1.970 -11.484 33 2HB ASP 4 2HB ASP 4 -2.285 -0.611 -11.332 34 HD2 ASP 4 HD2 ASP 4 -0.476 -0.556 -13.037 35 H ILE 5 H ILE 5 -0.359 -0.650 -7.284 36 HA ILE 5 HA ILE 5 2.132 -1.904 -7.881 37 HB ILE 5 HB ILE 5 1.061 -0.539 -5.410 38 1HG1 ILE 5 1HG1 ILE 5 3.116 0.529 -7.345 39 2HG1 ILE 5 2HG1 ILE 5 1.400 0.747 -7.630 40 1HG2 ILE 5 1HG2 ILE 5 3.402 -0.449 -4.654 41 2HG2 ILE 5 2HG2 ILE 5 2.793 -2.117 -4.769 42 3HG2 ILE 5 3HG2 ILE 5 3.876 -1.477 -6.028 43 1HD1 ILE 5 1HD1 ILE 5 2.963 1.660 -5.174 44 2HD1 ILE 5 2HD1 ILE 5 2.233 2.695 -6.426 45 3HD1 ILE 5 3HD1 ILE 5 1.192 1.765 -5.322 46 H LYS 6 H LYS 6 2.514 -4.047 -7.723 47 HA LYS 6 HA LYS 6 0.500 -5.684 -6.554 48 1HB LYS 6 1HB LYS 6 1.719 -6.221 -8.659 49 2HB LYS 6 2HB LYS 6 3.189 -6.445 -7.732 50 1HG LYS 6 1HG LYS 6 2.201 -8.293 -6.471 51 2HG LYS 6 2HG LYS 6 0.617 -7.983 -7.154 52 1HD LYS 6 1HD LYS 6 1.492 -9.829 -8.403 53 2HD LYS 6 2HD LYS 6 1.635 -8.444 -9.466 54 1HE LYS 6 1HE LYS 6 4.017 -8.191 -8.917 55 2HE LYS 6 2HE LYS 6 3.910 -9.429 -7.682 56 1HZ LYS 6 1HZ LYS 6 3.434 -9.868 -10.549 57 2HZ LYS 6 2HZ LYS 6 4.789 -10.286 -9.740 58 3HZ LYS 6 3HZ LYS 6 3.371 -11.018 -9.392 59 H CYS 7 H CYS 7 0.653 -7.069 -4.736 60 HA CYS 7 HA CYS 7 3.049 -6.933 -3.152 61 1HB CYS 7 1HB CYS 7 1.802 -6.232 -1.102 62 2HB CYS 7 2HB CYS 7 2.081 -4.971 -2.285 63 H SER 8 H SER 8 3.041 -8.666 -1.510 64 HA SER 8 HA SER 8 0.963 -10.624 -2.020 65 1HB SER 8 1HB SER 8 2.563 -12.109 -0.616 66 2HB SER 8 2HB SER 8 3.075 -11.655 -2.230 67 HG SER 8 HG SER 8 4.614 -10.313 -1.433 68 H GLU 9 H GLU 9 2.087 -8.254 0.287 69 HA GLU 9 HA GLU 9 0.136 -9.157 2.192 70 1HB GLU 9 1HB GLU 9 3.111 -9.296 2.658 71 2HB GLU 9 2HB GLU 9 2.083 -8.840 4.002 72 1HG GLU 9 1HG GLU 9 1.941 -11.118 4.303 73 2HG GLU 9 2HG GLU 9 0.664 -10.981 3.111 74 HE2 GLU 9 HE2 GLU 9 0.896 -12.322 1.559 75 H SER 10 H SER 10 0.140 -7.494 4.168 76 HA SER 10 HA SER 10 -0.398 -5.133 2.677 77 1HB SER 10 1HB SER 10 -1.002 -6.063 5.501 78 2HB SER 10 2HB SER 10 -1.334 -4.411 5.017 79 HG SER 10 HG SER 10 -3.188 -5.816 4.727 80 H TYR 11 H TYR 11 1.921 -6.258 5.132 81 HA TYR 11 HA TYR 11 2.729 -3.672 5.976 82 1HB TYR 11 1HB TYR 11 4.366 -5.019 7.204 83 2HB TYR 11 2HB TYR 11 2.920 -6.004 7.125 84 HD1 TYR 11 HD1 TYR 11 2.922 -8.118 6.022 85 HD2 TYR 11 HD2 TYR 11 6.274 -5.491 5.606 86 HE1 TYR 11 HE1 TYR 11 4.265 -9.989 4.945 87 HE2 TYR 11 HE2 TYR 11 7.605 -7.371 4.531 88 HH TYR 11 HH TYR 11 7.627 -9.437 3.920 89 H GLN 12 H GLN 12 3.251 -5.458 3.081 90 HA GLN 12 HA GLN 12 5.800 -4.333 2.535 91 1HB GLN 12 1HB GLN 12 3.729 -5.639 0.716 92 2HB GLN 12 2HB GLN 12 5.340 -5.181 0.202 93 1HG GLN 12 1HG GLN 12 6.387 -6.768 1.672 94 2HG GLN 12 2HG GLN 12 4.922 -6.993 2.609 95 1HE2 GLN 12 1HE2 GLN 12 5.817 -9.248 1.990 96 2HE2 GLN 12 2HE2 GLN 12 4.981 -10.012 0.680 97 H CYS 13 H CYS 13 2.434 -3.329 2.291 98 HA CYS 13 HA CYS 13 2.970 -1.475 0.159 99 1HB CYS 13 1HB CYS 13 0.466 -2.043 1.757 100 2HB CYS 13 2HB CYS 13 0.562 -0.888 0.442 101 H PHE 14 H PHE 14 2.615 -1.569 3.724 102 HA PHE 14 HA PHE 14 1.440 0.901 4.047 103 1HB PHE 14 1HB PHE 14 1.413 -0.316 6.038 104 2HB PHE 14 2HB PHE 14 2.862 -1.198 5.602 105 HD1 PHE 14 HD1 PHE 14 2.022 2.345 6.474 106 HD2 PHE 14 HD2 PHE 14 4.585 -0.978 7.100 107 HE1 PHE 14 HE1 PHE 14 3.335 3.673 8.151 108 HE2 PHE 14 HE2 PHE 14 5.898 0.349 8.777 109 HZ PHE 14 HZ PHE 14 5.257 2.659 9.282 110 HA PRO 15 HA PRO 15 5.831 2.575 4.680 111 1HB PRO 15 1HB PRO 15 7.976 1.130 3.796 112 2HB PRO 15 2HB PRO 15 7.411 1.090 5.454 113 1HG PRO 15 1HG PRO 15 7.086 -0.945 3.334 114 2HG PRO 15 2HG PRO 15 6.916 -1.130 5.068 115 1HD PRO 15 1HD PRO 15 4.795 -0.945 3.147 116 2HD PRO 15 2HD PRO 15 4.627 -1.013 4.890 117 H VAL 16 H VAL 16 5.212 0.800 1.769 118 HA VAL 16 HA VAL 16 6.685 2.544 0.101 119 HB VAL 16 HB VAL 16 5.089 0.173 -0.097 120 1HG1 VAL 16 1HG1 VAL 16 4.458 2.306 -2.164 121 2HG1 VAL 16 2HG1 VAL 16 4.064 0.577 -2.323 122 3HG1 VAL 16 3HG1 VAL 16 3.316 1.546 -1.030 123 1HG2 VAL 16 1HG2 VAL 16 6.410 -0.168 -2.139 124 2HG2 VAL 16 2HG2 VAL 16 6.951 1.527 -2.079 125 3HG2 VAL 16 3HG2 VAL 16 7.433 0.393 -0.794 126 H CYS 17 H CYS 17 3.367 2.501 1.435 127 HA CYS 17 HA CYS 17 2.436 4.514 -0.336 128 1HB CYS 17 1HB CYS 17 1.315 3.343 2.212 129 2HB CYS 17 2HB CYS 17 0.501 4.595 1.295 130 H LYS 18 H LYS 18 3.747 4.314 3.016 131 HA LYS 18 HA LYS 18 3.235 7.000 3.676 132 1HB LYS 18 1HB LYS 18 3.608 5.193 5.319 133 2HB LYS 18 2HB LYS 18 5.279 5.067 4.808 134 1HG LYS 18 1HG LYS 18 4.394 7.830 5.508 135 2HG LYS 18 2HG LYS 18 4.392 6.700 6.848 136 1HD LYS 18 1HD LYS 18 6.757 6.115 6.406 137 2HD LYS 18 2HD LYS 18 6.776 7.143 4.987 138 1HE LYS 18 1HE LYS 18 6.291 9.136 6.435 139 2HE LYS 18 2HE LYS 18 6.296 8.103 7.851 140 1HZ LYS 18 1HZ LYS 18 8.574 7.522 7.345 141 2HZ LYS 18 2HZ LYS 18 8.569 8.491 6.029 142 3HZ LYS 18 3HZ LYS 18 8.420 9.139 7.521 143 H SER 19 H SER 19 5.898 5.306 1.998 144 HA SER 19 HA SER 19 7.636 7.513 2.118 145 1HB SER 19 1HB SER 19 8.489 5.240 1.801 146 2HB SER 19 2HB SER 19 7.574 5.053 0.319 147 HG SER 19 HG SER 19 9.811 5.578 -0.099 148 H ARG 20 H ARG 20 5.358 6.181 -0.377 149 HA ARG 20 HA ARG 20 6.420 7.970 -2.304 150 1HB ARG 20 1HB ARG 20 5.681 5.672 -2.915 151 2HB ARG 20 2HB ARG 20 4.044 6.045 -2.415 152 1HG ARG 20 1HG ARG 20 4.196 6.250 -4.851 153 2HG ARG 20 2HG ARG 20 3.922 7.838 -4.163 154 1HD ARG 20 1HD ARG 20 6.780 6.959 -4.573 155 2HD ARG 20 2HD ARG 20 5.852 7.409 -5.989 156 HE ARG 20 HE ARG 20 5.380 9.461 -4.134 157 1HH1 ARG 20 1HH1 ARG 20 8.093 8.152 -5.945 158 2HH1 ARG 20 2HH1 ARG 20 9.065 9.576 -5.771 159 1HH2 ARG 20 1HH2 ARG 20 6.671 11.335 -3.878 160 2HH2 ARG 20 2HH2 ARG 20 8.224 11.421 -4.640 161 H PHE 21 H PHE 21 3.176 7.454 -0.717 162 HA PHE 21 HA PHE 21 2.242 9.841 -2.104 163 1HB PHE 21 1HB PHE 21 0.834 7.629 -0.492 164 2HB PHE 21 2HB PHE 21 0.004 8.858 -1.425 165 HD1 PHE 21 HD1 PHE 21 0.793 5.554 -1.469 166 HD2 PHE 21 HD2 PHE 21 1.097 8.961 -3.980 167 HE1 PHE 21 HE1 PHE 21 0.852 4.062 -3.487 168 HE2 PHE 21 HE2 PHE 21 1.157 7.470 -5.997 169 HZ PHE 21 HZ PHE 21 1.034 5.038 -5.727 170 H GLY 22 H GLY 22 3.209 8.675 1.044 171 1HA GLY 22 1HA GLY 22 3.448 9.870 2.966 172 2HA GLY 22 2HA GLY 22 2.636 11.239 2.233 173 H LYS 23 H LYS 23 1.187 7.991 2.118 174 HA LYS 23 HA LYS 23 -1.090 8.987 3.560 175 1HB LYS 23 1HB LYS 23 -0.490 6.322 2.246 176 2HB LYS 23 2HB LYS 23 -2.008 6.710 3.030 177 1HG LYS 23 1HG LYS 23 -1.109 8.780 1.099 178 2HG LYS 23 2HG LYS 23 -1.405 7.218 0.363 179 1HD LYS 23 1HD LYS 23 -3.684 7.150 1.284 180 2HD LYS 23 2HD LYS 23 -3.398 8.607 2.213 181 1HE LYS 23 1HE LYS 23 -3.057 9.891 0.083 182 2HE LYS 23 2HE LYS 23 -3.361 8.433 -0.839 183 1HZ LYS 23 1HZ LYS 23 -5.550 8.335 0.154 184 2HZ LYS 23 2HZ LYS 23 -5.265 9.697 1.008 185 3HZ LYS 23 3HZ LYS 23 -5.335 9.756 -0.622 186 H THR 24 H THR 24 -2.080 7.203 5.202 187 HA THR 24 HA THR 24 -0.090 7.352 7.323 188 HB THR 24 HB THR 24 -1.995 7.458 8.762 189 HG1 THR 24 HG1 THR 24 -3.319 6.287 6.416 190 1HG2 THR 24 1HG2 THR 24 -3.387 8.431 6.251 191 2HG2 THR 24 2HG2 THR 24 -3.378 9.154 7.877 192 3HG2 THR 24 3HG2 THR 24 -1.948 9.306 6.829 193 H ASN 25 H ASN 25 -1.881 4.980 5.392 194 HA ASN 25 HA ASN 25 -0.252 2.927 6.457 195 1HB ASN 25 1HB ASN 25 -2.198 3.216 8.158 196 2HB ASN 25 2HB ASN 25 -3.264 2.639 6.893 197 1HD2 ASN 25 1HD2 ASN 25 -3.584 1.041 8.700 198 2HD2 ASN 25 2HD2 ASN 25 -2.638 -0.409 8.656 199 H GLY 26 H GLY 26 -0.756 0.803 5.258 200 1HA GLY 26 1HA GLY 26 -2.497 1.168 2.912 201 2HA GLY 26 2HA GLY 26 -0.824 0.694 2.693 202 H ARG 27 H ARG 27 -3.049 -0.924 1.872 203 HA ARG 27 HA ARG 27 -2.539 -3.235 3.481 204 1HB ARG 27 1HB ARG 27 -5.015 -3.729 3.733 205 2HB ARG 27 2HB ARG 27 -4.475 -2.352 4.673 206 1HG ARG 27 1HG ARG 27 -5.204 -0.872 2.686 207 2HG ARG 27 2HG ARG 27 -5.972 -2.298 2.016 208 1HD ARG 27 1HD ARG 27 -7.522 -2.468 3.835 209 2HD ARG 27 2HD ARG 27 -6.564 -1.426 4.869 210 HE ARG 27 HE ARG 27 -7.491 -0.115 2.408 211 1HH1 ARG 27 1HH1 ARG 27 -8.655 -1.133 5.551 212 2HH1 ARG 27 2HH1 ARG 27 -9.546 0.323 5.847 213 1HH2 ARG 27 1HH2 ARG 27 -8.607 1.862 2.821 214 2HH2 ARG 27 2HH2 ARG 27 -9.615 1.985 4.225 215 H CYS 28 H CYS 28 -3.029 -5.236 2.309 216 HA CYS 28 HA CYS 28 -2.767 -4.665 -0.507 217 1HB CYS 28 1HB CYS 28 -1.273 -6.214 0.953 218 2HB CYS 28 2HB CYS 28 -2.549 -7.394 0.735 219 H VAL 29 H VAL 29 -4.756 -4.410 -1.519 220 HA VAL 29 HA VAL 29 -6.869 -6.304 -0.812 221 HB VAL 29 HB VAL 29 -6.873 -3.713 -2.371 222 1HG1 VAL 29 1HG1 VAL 29 -8.557 -5.114 -3.341 223 2HG1 VAL 29 2HG1 VAL 29 -9.128 -5.641 -1.740 224 3HG1 VAL 29 3HG1 VAL 29 -9.379 -3.958 -2.266 225 1HG2 VAL 29 1HG2 VAL 29 -8.009 -4.416 0.357 226 2HG2 VAL 29 2HG2 VAL 29 -6.573 -3.413 0.043 227 3HG2 VAL 29 3HG2 VAL 29 -8.182 -2.851 -0.472 228 H ASN 30 H ASN 30 -6.808 -8.176 -1.956 229 HA ASN 30 HA ASN 30 -6.878 -9.521 -3.652 230 1HB ASN 30 1HB ASN 30 -7.345 -7.037 -5.386 231 2HB ASN 30 2HB ASN 30 -7.721 -8.686 -5.846 232 1HD2 ASN 30 1HD2 ASN 30 -9.586 -6.640 -5.840 233 2HD2 ASN 30 2HD2 ASN 30 -10.792 -6.921 -4.629 234 H GLY 31 H GLY 31 -4.292 -8.258 -2.873 235 1HA GLY 31 1HA GLY 31 -2.209 -8.910 -3.545 236 2HA GLY 31 2HA GLY 31 -2.826 -9.311 -5.135 237 H PHE 32 H PHE 32 -3.918 -6.208 -4.088 238 HA PHE 32 HA PHE 32 -1.579 -4.882 -5.235 239 1HB PHE 32 1HB PHE 32 -4.559 -4.542 -5.917 240 2HB PHE 32 2HB PHE 32 -3.342 -3.385 -6.419 241 HD1 PHE 32 HD1 PHE 32 -1.340 -4.385 -7.793 242 HD2 PHE 32 HD2 PHE 32 -5.104 -6.290 -7.337 243 HE1 PHE 32 HE1 PHE 32 -0.905 -5.739 -9.861 244 HE2 PHE 32 HE2 PHE 32 -4.670 -7.644 -9.404 245 HZ PHE 32 HZ PHE 32 -2.575 -7.353 -10.642 246 H CYS 33 H CYS 33 -1.294 -2.662 -4.513 247 HA CYS 33 HA CYS 33 -1.896 -2.644 -1.755 248 1HB CYS 33 1HB CYS 33 -0.459 -0.672 -3.536 249 2HB CYS 33 2HB CYS 33 -0.629 -0.462 -1.804 250 H ASP 34 H ASP 34 -3.440 -1.397 -0.633 251 HA ASP 34 HA ASP 34 -4.705 0.701 -2.214 252 1HB ASP 34 1HB ASP 34 -6.342 -1.058 -1.687 253 2HB ASP 34 2HB ASP 34 -5.876 -1.039 0.003 254 HD2 ASP 34 HD2 ASP 34 -8.400 1.171 0.658 255 H CYS 35 H CYS 35 -4.267 2.750 -1.351 256 HA CYS 35 HA CYS 35 -2.948 2.722 1.256 257 1HB CYS 35 1HB CYS 35 -2.724 4.773 -0.957 258 2HB CYS 35 2HB CYS 35 -1.814 4.750 0.541 259 H PHE 36 H PHE 36 -3.638 4.202 2.880 260 HA PHE 36 HA PHE 36 -5.655 6.139 2.269 261 1HB PHE 36 1HB PHE 36 -7.360 5.049 3.729 262 2HB PHE 36 2HB PHE 36 -6.916 3.946 2.441 263 HD1 PHE 36 HD1 PHE 36 -5.239 2.109 2.957 264 HD2 PHE 36 HD2 PHE 36 -7.084 4.440 5.985 265 HE1 PHE 36 HE1 PHE 36 -4.661 0.357 4.657 266 HE2 PHE 36 HE2 PHE 36 -6.505 2.688 7.687 267 HZ PHE 36 HZ PHE 36 -5.300 0.668 7.002 Start of MODEL 2 1 1H ARG 1 1H ARG 1 -6.583 4.468 -1.362 2 2H ARG 1 2H ARG 1 -8.143 4.940 -1.073 3 3H ARG 1 3H ARG 1 -7.685 3.376 -0.783 4 HA ARG 1 HA ARG 1 -8.882 3.325 -2.661 5 1HB ARG 1 1HB ARG 1 -7.519 5.899 -3.163 6 2HB ARG 1 2HB ARG 1 -7.546 4.884 -4.590 7 1HG ARG 1 1HG ARG 1 -9.572 6.185 -4.650 8 2HG ARG 1 2HG ARG 1 -10.050 4.555 -4.216 9 1HD ARG 1 1HD ARG 1 -10.229 5.158 -1.850 10 2HD ARG 1 2HD ARG 1 -9.514 6.731 -2.140 11 HE ARG 1 HE ARG 1 -11.562 7.502 -3.028 12 1HH1 ARG 1 1HH1 ARG 1 -11.643 3.995 -2.791 13 2HH1 ARG 1 2HH1 ARG 1 -13.370 3.898 -2.892 14 1HH2 ARG 1 1HH2 ARG 1 -13.841 7.376 -3.191 15 2HH2 ARG 1 2HH2 ARG 1 -14.622 5.830 -3.190 16 HA PRO 2 HA PRO 2 -5.958 0.571 -4.190 17 1HB PRO 2 1HB PRO 2 -7.014 -0.231 -6.580 18 2HB PRO 2 2HB PRO 2 -7.599 -0.809 -5.032 19 1HG PRO 2 1HG PRO 2 -8.836 1.153 -6.865 20 2HG PRO 2 2HG PRO 2 -9.577 0.255 -5.554 21 1HD PRO 2 1HD PRO 2 -8.799 3.016 -5.520 22 2HD PRO 2 2HD PRO 2 -9.431 2.087 -4.174 23 H THR 3 H THR 3 -4.070 0.172 -5.368 24 HA THR 3 HA THR 3 -3.654 2.131 -7.524 25 HB THR 3 HB THR 3 -1.382 2.479 -6.701 26 HG1 THR 3 HG1 THR 3 -0.675 1.113 -4.924 27 1HG2 THR 3 1HG2 THR 3 -3.277 3.628 -5.350 28 2HG2 THR 3 2HG2 THR 3 -3.074 2.317 -4.163 29 3HG2 THR 3 3HG2 THR 3 -1.725 3.426 -4.504 30 H ASP 4 H ASP 4 -1.081 1.137 -8.266 31 HA ASP 4 HA ASP 4 -2.064 -1.322 -9.476 32 1HB ASP 4 1HB ASP 4 -0.586 -0.783 -11.375 33 2HB ASP 4 2HB ASP 4 -1.668 0.555 -11.047 34 HD2 ASP 4 HD2 ASP 4 0.394 0.864 -12.451 35 H ILE 5 H ILE 5 -0.221 -0.402 -6.952 36 HA ILE 5 HA ILE 5 2.260 -1.703 -7.600 37 HB ILE 5 HB ILE 5 1.191 -0.503 -5.043 38 1HG1 ILE 5 1HG1 ILE 5 3.202 0.598 -7.027 39 2HG1 ILE 5 2HG1 ILE 5 1.518 1.077 -6.947 40 1HG2 ILE 5 1HG2 ILE 5 3.449 -0.641 -4.179 41 2HG2 ILE 5 2HG2 ILE 5 2.868 -2.265 -4.621 42 3HG2 ILE 5 3HG2 ILE 5 4.011 -1.410 -5.683 43 1HD1 ILE 5 1HD1 ILE 5 1.943 1.636 -4.456 44 2HD1 ILE 5 2HD1 ILE 5 3.673 1.474 -4.838 45 3HD1 ILE 5 3HD1 ILE 5 2.694 2.712 -5.659 46 H LYS 6 H LYS 6 2.382 -3.877 -7.716 47 HA LYS 6 HA LYS 6 0.401 -5.514 -6.526 48 1HB LYS 6 1HB LYS 6 1.537 -7.319 -7.554 49 2HB LYS 6 2HB LYS 6 1.650 -5.970 -8.667 50 1HG LYS 6 1HG LYS 6 3.944 -5.443 -7.666 51 2HG LYS 6 2HG LYS 6 3.823 -6.934 -6.752 52 1HD LYS 6 1HD LYS 6 3.563 -8.216 -8.894 53 2HD LYS 6 2HD LYS 6 3.709 -6.723 -9.799 54 1HE LYS 6 1HE LYS 6 5.993 -6.363 -8.836 55 2HE LYS 6 2HE LYS 6 5.848 -7.856 -7.931 56 1HZ LYS 6 1HZ LYS 6 7.018 -8.187 -9.986 57 2HZ LYS 6 2HZ LYS 6 5.618 -9.027 -10.017 58 3HZ LYS 6 3HZ LYS 6 5.755 -7.635 -10.861 59 H CYS 7 H CYS 7 0.750 -7.184 -4.879 60 HA CYS 7 HA CYS 7 3.056 -6.974 -3.227 61 1HB CYS 7 1HB CYS 7 1.762 -6.319 -1.171 62 2HB CYS 7 2HB CYS 7 2.117 -5.036 -2.311 63 H SER 8 H SER 8 3.027 -8.731 -1.598 64 HA SER 8 HA SER 8 0.932 -10.663 -2.091 65 1HB SER 8 1HB SER 8 2.353 -12.226 -0.825 66 2HB SER 8 2HB SER 8 3.276 -11.456 -2.101 67 HG SER 8 HG SER 8 3.454 -11.122 0.724 68 H GLU 9 H GLU 9 1.985 -8.218 0.212 69 HA GLU 9 HA GLU 9 0.068 -9.129 2.147 70 1HB GLU 9 1HB GLU 9 3.040 -9.416 2.489 71 2HB GLU 9 2HB GLU 9 2.120 -8.892 3.886 72 1HG GLU 9 1HG GLU 9 1.468 -11.378 2.233 73 2HG GLU 9 2HG GLU 9 2.383 -11.401 3.728 74 HE2 GLU 9 HE2 GLU 9 -1.433 -11.643 4.068 75 H SER 10 H SER 10 0.147 -7.526 4.160 76 HA SER 10 HA SER 10 -0.381 -5.129 2.721 77 1HB SER 10 1HB SER 10 -0.931 -6.033 5.574 78 2HB SER 10 2HB SER 10 -1.352 -4.428 5.011 79 HG SER 10 HG SER 10 -2.307 -6.944 3.939 80 H TYR 11 H TYR 11 1.955 -6.331 5.119 81 HA TYR 11 HA TYR 11 2.785 -3.782 6.042 82 1HB TYR 11 1HB TYR 11 4.446 -5.175 7.182 83 2HB TYR 11 2HB TYR 11 3.001 -6.162 7.087 84 HD1 TYR 11 HD1 TYR 11 6.321 -5.569 5.523 85 HD2 TYR 11 HD2 TYR 11 2.994 -8.231 5.904 86 HE1 TYR 11 HE1 TYR 11 7.639 -7.397 4.345 87 HE2 TYR 11 HE2 TYR 11 4.323 -10.050 4.727 88 HH TYR 11 HH TYR 11 7.663 -9.444 3.670 89 H GLN 12 H GLN 12 3.292 -5.496 3.083 90 HA GLN 12 HA GLN 12 5.812 -4.338 2.520 91 1HB GLN 12 1HB GLN 12 3.693 -5.544 0.689 92 2HB GLN 12 2HB GLN 12 5.302 -5.085 0.168 93 1HG GLN 12 1HG GLN 12 6.344 -6.731 1.606 94 2HG GLN 12 2HG GLN 12 4.853 -7.019 2.479 95 1HE2 GLN 12 1HE2 GLN 12 6.064 -9.161 1.573 96 2HE2 GLN 12 2HE2 GLN 12 5.229 -9.872 0.231 97 H CYS 13 H CYS 13 2.441 -3.308 2.378 98 HA CYS 13 HA CYS 13 2.946 -1.426 0.262 99 1HB CYS 13 1HB CYS 13 0.449 -1.980 1.881 100 2HB CYS 13 2HB CYS 13 0.546 -0.879 0.520 101 H PHE 14 H PHE 14 2.588 -1.556 3.831 102 HA PHE 14 HA PHE 14 1.412 0.916 4.158 103 1HB PHE 14 1HB PHE 14 1.344 -0.320 6.135 104 2HB PHE 14 2HB PHE 14 2.796 -1.206 5.716 105 HD1 PHE 14 HD1 PHE 14 4.490 -1.013 7.250 106 HD2 PHE 14 HD2 PHE 14 1.965 2.335 6.603 107 HE1 PHE 14 HE1 PHE 14 5.782 0.291 8.962 108 HE2 PHE 14 HE2 PHE 14 3.255 3.639 8.315 109 HZ PHE 14 HZ PHE 14 5.148 2.602 9.475 110 HA PRO 15 HA PRO 15 5.810 2.563 4.833 111 1HB PRO 15 1HB PRO 15 7.948 1.101 3.961 112 2HB PRO 15 2HB PRO 15 7.377 1.069 5.617 113 1HG PRO 15 1HG PRO 15 7.046 -0.970 3.502 114 2HG PRO 15 2HG PRO 15 6.870 -1.148 5.237 115 1HD PRO 15 1HD PRO 15 4.756 -0.955 3.308 116 2HD PRO 15 2HD PRO 15 4.582 -1.017 5.051 117 H VAL 16 H VAL 16 5.179 0.787 1.928 118 HA VAL 16 HA VAL 16 6.699 2.491 0.262 119 HB VAL 16 HB VAL 16 5.055 0.150 0.065 120 1HG1 VAL 16 1HG1 VAL 16 4.082 0.553 -2.184 121 2HG1 VAL 16 2HG1 VAL 16 3.335 1.556 -0.917 122 3HG1 VAL 16 3HG1 VAL 16 4.517 2.273 -2.038 123 1HG2 VAL 16 1HG2 VAL 16 7.418 0.307 -0.587 124 2HG2 VAL 16 2HG2 VAL 16 6.409 -0.246 -1.946 125 3HG2 VAL 16 3HG2 VAL 16 6.988 1.437 -1.894 126 H CYS 17 H CYS 17 3.382 2.531 1.583 127 HA CYS 17 HA CYS 17 2.476 4.500 -0.249 128 1HB CYS 17 1HB CYS 17 1.313 3.504 2.359 129 2HB CYS 17 2HB CYS 17 0.509 4.626 1.278 130 H LYS 18 H LYS 18 3.849 4.382 3.072 131 HA LYS 18 HA LYS 18 3.381 7.105 3.655 132 1HB LYS 18 1HB LYS 18 3.731 5.354 5.361 133 2HB LYS 18 2HB LYS 18 5.389 5.160 4.831 134 1HG LYS 18 1HG LYS 18 4.596 7.972 5.438 135 2HG LYS 18 2HG LYS 18 4.580 6.894 6.819 136 1HD LYS 18 1HD LYS 18 6.922 6.221 6.366 137 2HD LYS 18 2HD LYS 18 6.948 7.200 4.912 138 1HE LYS 18 1HE LYS 18 6.549 9.256 6.291 139 2HE LYS 18 2HE LYS 18 6.532 8.275 7.744 140 1HZ LYS 18 1HZ LYS 18 8.801 8.517 5.891 141 2HZ LYS 18 2HZ LYS 18 8.686 9.229 7.356 142 3HZ LYS 18 3HZ LYS 18 8.785 7.603 7.245 143 H SER 19 H SER 19 6.001 5.280 2.037 144 HA SER 19 HA SER 19 7.790 7.447 2.074 145 1HB SER 19 1HB SER 19 8.580 5.136 1.853 146 2HB SER 19 2HB SER 19 7.677 4.923 0.366 147 HG SER 19 HG SER 19 9.914 6.711 0.795 148 H ARG 20 H ARG 20 5.424 6.117 -0.323 149 HA ARG 20 HA ARG 20 6.520 7.791 -2.345 150 1HB ARG 20 1HB ARG 20 5.720 5.474 -2.836 151 2HB ARG 20 2HB ARG 20 4.092 5.927 -2.370 152 1HG ARG 20 1HG ARG 20 4.190 6.045 -4.784 153 2HG ARG 20 2HG ARG 20 4.126 7.696 -4.196 154 1HD ARG 20 1HD ARG 20 6.515 8.006 -4.536 155 2HD ARG 20 2HD ARG 20 6.764 6.294 -4.818 156 HE ARG 20 HE ARG 20 4.853 7.242 -6.723 157 1HH1 ARG 20 1HH1 ARG 20 8.270 7.587 -5.956 158 2HH1 ARG 20 2HH1 ARG 20 8.738 7.894 -7.595 159 1HH2 ARG 20 1HH2 ARG 20 5.469 7.646 -8.885 160 2HH2 ARG 20 2HH2 ARG 20 7.133 7.934 -9.272 161 H PHE 21 H PHE 21 3.261 7.370 -0.755 162 HA PHE 21 HA PHE 21 2.384 9.746 -2.193 163 1HB PHE 21 1HB PHE 21 0.906 7.631 -0.513 164 2HB PHE 21 2HB PHE 21 0.127 8.828 -1.527 165 HD1 PHE 21 HD1 PHE 21 0.798 5.512 -1.386 166 HD2 PHE 21 HD2 PHE 21 1.314 8.769 -4.056 167 HE1 PHE 21 HE1 PHE 21 0.862 3.915 -3.320 168 HE2 PHE 21 HE2 PHE 21 1.380 7.172 -5.991 169 HZ PHE 21 HZ PHE 21 1.154 4.764 -5.600 170 H GLY 22 H GLY 22 3.354 8.662 0.975 171 1HA GLY 22 1HA GLY 22 3.562 9.877 2.888 172 2HA GLY 22 2HA GLY 22 2.741 11.229 2.134 173 H LYS 23 H LYS 23 1.278 8.006 1.966 174 HA LYS 23 HA LYS 23 -0.949 9.027 3.513 175 1HB LYS 23 1HB LYS 23 -0.537 6.659 1.688 176 2HB LYS 23 2HB LYS 23 -1.947 6.775 2.723 177 1HG LYS 23 1HG LYS 23 -2.557 8.952 1.718 178 2HG LYS 23 2HG LYS 23 -1.092 8.951 0.755 179 1HD LYS 23 1HD LYS 23 -1.838 6.971 -0.491 180 2HD LYS 23 2HD LYS 23 -3.224 6.772 0.564 181 1HE LYS 23 1HE LYS 23 -4.116 8.988 -0.191 182 2HE LYS 23 2HE LYS 23 -2.731 9.188 -1.244 183 1HZ LYS 23 1HZ LYS 23 -4.622 8.290 -2.407 184 2HZ LYS 23 2HZ LYS 23 -3.398 7.209 -2.417 185 3HZ LYS 23 3HZ LYS 23 -4.673 6.990 -1.421 186 H THR 24 H THR 24 -2.002 7.491 5.158 187 HA THR 24 HA THR 24 0.092 7.330 7.107 188 HB THR 24 HB THR 24 -2.004 6.823 8.568 189 HG1 THR 24 HG1 THR 24 -3.970 7.008 7.356 190 1HG2 THR 24 1HG2 THR 24 -2.912 9.107 8.370 191 2HG2 THR 24 2HG2 THR 24 -1.141 9.184 8.216 192 3HG2 THR 24 3HG2 THR 24 -2.165 9.294 6.764 193 H ASN 25 H ASN 25 -2.008 5.017 5.356 194 HA ASN 25 HA ASN 25 -0.173 2.959 6.045 195 1HB ASN 25 1HB ASN 25 -1.889 3.125 8.004 196 2HB ASN 25 2HB ASN 25 -3.089 2.552 6.863 197 1HD2 ASN 25 1HD2 ASN 25 -0.064 1.818 8.489 198 2HD2 ASN 25 2HD2 ASN 25 -0.135 0.092 8.357 199 H GLY 26 H GLY 26 -0.869 0.849 4.861 200 1HA GLY 26 1HA GLY 26 -3.054 1.160 2.952 201 2HA GLY 26 2HA GLY 26 -1.444 0.978 2.283 202 H ARG 27 H ARG 27 -3.742 -0.884 2.065 203 HA ARG 27 HA ARG 27 -2.508 -3.151 3.404 204 1HB ARG 27 1HB ARG 27 -5.489 -2.512 3.166 205 2HB ARG 27 2HB ARG 27 -4.893 -4.095 3.625 206 1HG ARG 27 1HG ARG 27 -3.630 -3.013 5.538 207 2HG ARG 27 2HG ARG 27 -4.361 -1.479 5.110 208 1HD ARG 27 1HD ARG 27 -5.982 -3.978 5.791 209 2HD ARG 27 2HD ARG 27 -5.559 -2.751 6.969 210 HE ARG 27 HE ARG 27 -6.752 -1.422 4.754 211 1HH1 ARG 27 1HH1 ARG 27 -7.652 -3.677 7.301 212 2HH1 ARG 27 2HH1 ARG 27 -9.315 -3.192 7.319 213 1HH2 ARG 27 1HH2 ARG 27 -8.944 -0.774 4.784 214 2HH2 ARG 27 2HH2 ARG 27 -10.052 -1.523 5.884 215 H CYS 28 H CYS 28 -2.918 -5.266 2.267 216 HA CYS 28 HA CYS 28 -2.663 -4.707 -0.548 217 1HB CYS 28 1HB CYS 28 -1.072 -6.145 0.832 218 2HB CYS 28 2HB CYS 28 -2.322 -7.373 0.824 219 H VAL 29 H VAL 29 -4.735 -4.415 -1.431 220 HA VAL 29 HA VAL 29 -6.779 -6.369 -0.725 221 HB VAL 29 HB VAL 29 -6.853 -3.770 -2.268 222 1HG1 VAL 29 1HG1 VAL 29 -9.072 -5.717 -1.574 223 2HG1 VAL 29 2HG1 VAL 29 -9.351 -4.036 -2.089 224 3HG1 VAL 29 3HG1 VAL 29 -8.554 -5.184 -3.192 225 1HG2 VAL 29 1HG2 VAL 29 -6.482 -3.460 0.124 226 2HG2 VAL 29 2HG2 VAL 29 -8.125 -2.941 -0.321 227 3HG2 VAL 29 3HG2 VAL 29 -7.876 -4.504 0.496 228 H ASN 30 H ASN 30 -6.728 -8.236 -1.879 229 HA ASN 30 HA ASN 30 -6.845 -9.572 -3.582 230 1HB ASN 30 1HB ASN 30 -7.402 -7.082 -5.279 231 2HB ASN 30 2HB ASN 30 -7.775 -8.731 -5.739 232 1HD2 ASN 30 1HD2 ASN 30 -9.665 -6.714 -5.653 233 2HD2 ASN 30 2HD2 ASN 30 -10.824 -7.019 -4.401 234 H GLY 31 H GLY 31 -4.241 -8.330 -2.886 235 1HA GLY 31 1HA GLY 31 -2.192 -8.996 -3.650 236 2HA GLY 31 2HA GLY 31 -2.871 -9.345 -5.227 237 H PHE 32 H PHE 32 -3.898 -6.261 -4.080 238 HA PHE 32 HA PHE 32 -1.557 -4.921 -5.188 239 1HB PHE 32 1HB PHE 32 -4.504 -4.740 -6.004 240 2HB PHE 32 2HB PHE 32 -3.437 -3.377 -6.279 241 HD1 PHE 32 HD1 PHE 32 -4.552 -6.547 -7.506 242 HD2 PHE 32 HD2 PHE 32 -1.379 -3.739 -7.733 243 HE1 PHE 32 HE1 PHE 32 -3.799 -7.573 -9.669 244 HE2 PHE 32 HE2 PHE 32 -0.626 -4.764 -9.896 245 HZ PHE 32 HZ PHE 32 -1.845 -6.668 -10.839 246 H CYS 33 H CYS 33 -1.258 -2.740 -4.398 247 HA CYS 33 HA CYS 33 -2.003 -2.708 -1.677 248 1HB CYS 33 1HB CYS 33 -0.490 -0.708 -3.366 249 2HB CYS 33 2HB CYS 33 -0.701 -0.572 -1.632 250 H ASP 34 H ASP 34 -3.474 -1.304 -0.596 251 HA ASP 34 HA ASP 34 -4.773 0.655 -2.318 252 1HB ASP 34 1HB ASP 34 -6.289 -1.271 -1.705 253 2HB ASP 34 2HB ASP 34 -6.044 -0.894 -0.012 254 HD2 ASP 34 HD2 ASP 34 -8.975 0.845 -1.814 255 H CYS 35 H CYS 35 -4.238 2.720 -1.529 256 HA CYS 35 HA CYS 35 -3.026 2.698 1.130 257 1HB CYS 35 1HB CYS 35 -2.487 4.482 -1.253 258 2HB CYS 35 2HB CYS 35 -1.732 4.654 0.319 259 H PHE 36 H PHE 36 -3.592 4.360 2.634 260 HA PHE 36 HA PHE 36 -5.394 6.435 1.825 261 1HB PHE 36 1HB PHE 36 -7.113 5.583 3.563 262 2HB PHE 36 2HB PHE 36 -7.008 4.616 2.105 263 HD1 PHE 36 HD1 PHE 36 -6.121 4.756 5.672 264 HD2 PHE 36 HD2 PHE 36 -6.197 2.360 2.170 265 HE1 PHE 36 HE1 PHE 36 -5.664 2.714 7.058 266 HE2 PHE 36 HE2 PHE 36 -5.740 0.319 3.557 267 HZ PHE 36 HZ PHE 36 -5.479 0.520 5.983 Start of MODEL 3 1 1H ARG 1 1H ARG 1 -8.134 5.075 -1.313 2 2H ARG 1 2H ARG 1 -7.446 3.597 -1.021 3 3H ARG 1 3H ARG 1 -6.510 4.856 -1.552 4 HA ARG 1 HA ARG 1 -8.690 3.619 -2.982 5 1HB ARG 1 1HB ARG 1 -6.756 5.863 -3.650 6 2HB ARG 1 2HB ARG 1 -7.420 4.892 -4.950 7 1HG ARG 1 1HG ARG 1 -9.743 5.406 -4.103 8 2HG ARG 1 2HG ARG 1 -9.042 6.440 -2.873 9 1HD ARG 1 1HD ARG 1 -9.674 7.893 -4.693 10 2HD ARG 1 2HD ARG 1 -7.927 7.776 -4.750 11 HE ARG 1 HE ARG 1 -9.088 5.707 -6.385 12 1HH1 ARG 1 1HH1 ARG 1 -8.652 9.197 -6.340 13 2HH1 ARG 1 2HH1 ARG 1 -8.528 9.333 -8.063 14 1HH2 ARG 1 1HH2 ARG 1 -8.924 5.885 -8.660 15 2HH2 ARG 1 2HH2 ARG 1 -8.720 7.441 -9.393 16 HA PRO 2 HA PRO 2 -5.717 0.652 -4.204 17 1HB PRO 2 1HB PRO 2 -6.779 -0.260 -6.551 18 2HB PRO 2 2HB PRO 2 -7.337 -0.791 -4.976 19 1HG PRO 2 1HG PRO 2 -8.631 1.075 -6.869 20 2HG PRO 2 2HG PRO 2 -9.342 0.214 -5.519 21 1HD PRO 2 1HD PRO 2 -8.618 2.989 -5.596 22 2HD PRO 2 2HD PRO 2 -9.220 2.100 -4.210 23 H THR 3 H THR 3 -3.879 0.173 -5.476 24 HA THR 3 HA THR 3 -3.473 2.172 -7.599 25 HB THR 3 HB THR 3 -1.174 2.435 -6.832 26 HG1 THR 3 HG1 THR 3 -0.431 0.973 -5.160 27 1HG2 THR 3 1HG2 THR 3 -2.983 3.580 -5.374 28 2HG2 THR 3 2HG2 THR 3 -2.795 2.211 -4.251 29 3HG2 THR 3 3HG2 THR 3 -1.417 3.289 -4.580 30 H ASP 4 H ASP 4 -0.947 1.114 -8.435 31 HA ASP 4 HA ASP 4 -2.095 -1.154 -9.827 32 1HB ASP 4 1HB ASP 4 -0.404 -0.687 -11.559 33 2HB ASP 4 2HB ASP 4 -1.311 0.765 -11.190 34 HD2 ASP 4 HD2 ASP 4 -0.364 2.307 -10.173 35 H ILE 5 H ILE 5 -0.049 -0.444 -7.232 36 HA ILE 5 HA ILE 5 2.200 -2.055 -7.973 37 HB ILE 5 HB ILE 5 1.431 -0.641 -5.419 38 1HG1 ILE 5 1HG1 ILE 5 3.555 0.102 -7.444 39 2HG1 ILE 5 2HG1 ILE 5 1.920 0.728 -7.504 40 1HG2 ILE 5 1HG2 ILE 5 4.035 -2.017 -6.134 41 2HG2 ILE 5 2HG2 ILE 5 3.738 -1.021 -4.689 42 3HG2 ILE 5 3HG2 ILE 5 2.859 -2.553 -4.910 43 1HD1 ILE 5 1HD1 ILE 5 3.207 2.349 -6.286 44 2HD1 ILE 5 2HD1 ILE 5 2.239 1.484 -5.068 45 3HD1 ILE 5 3HD1 ILE 5 3.964 1.093 -5.277 46 H LYS 6 H LYS 6 2.142 -4.234 -7.973 47 HA LYS 6 HA LYS 6 0.115 -5.632 -6.553 48 1HB LYS 6 1HB LYS 6 1.000 -7.577 -7.573 49 2HB LYS 6 2HB LYS 6 1.119 -6.298 -8.764 50 1HG LYS 6 1HG LYS 6 3.520 -5.938 -8.128 51 2HG LYS 6 2HG LYS 6 3.398 -7.235 -6.956 52 1HD LYS 6 1HD LYS 6 2.464 -8.017 -9.661 53 2HD LYS 6 2HD LYS 6 4.148 -7.532 -9.626 54 1HE LYS 6 1HE LYS 6 4.053 -9.924 -9.189 55 2HE LYS 6 2HE LYS 6 4.533 -9.128 -7.704 56 1HZ LYS 6 1HZ LYS 6 2.355 -9.334 -6.873 57 2HZ LYS 6 2HZ LYS 6 1.747 -9.824 -8.307 58 3HZ LYS 6 3HZ LYS 6 2.753 -10.801 -7.470 59 H CYS 7 H CYS 7 0.542 -7.335 -4.908 60 HA CYS 7 HA CYS 7 2.965 -7.137 -3.427 61 1HB CYS 7 1HB CYS 7 1.746 -6.434 -1.299 62 2HB CYS 7 2HB CYS 7 2.189 -5.188 -2.450 63 H SER 8 H SER 8 3.002 -8.826 -1.725 64 HA SER 8 HA SER 8 0.877 -10.765 -2.131 65 1HB SER 8 1HB SER 8 2.442 -12.412 -1.177 66 2HB SER 8 2HB SER 8 3.184 -11.563 -2.520 67 HG SER 8 HG SER 8 4.397 -11.859 -0.338 68 H GLU 9 H GLU 9 2.076 -8.369 0.063 69 HA GLU 9 HA GLU 9 0.450 -9.406 2.192 70 1HB GLU 9 1HB GLU 9 3.459 -9.397 2.246 71 2HB GLU 9 2HB GLU 9 2.620 -8.959 3.722 72 1HG GLU 9 1HG GLU 9 2.438 -11.190 4.123 73 2HG GLU 9 2HG GLU 9 1.197 -11.207 2.886 74 HE2 GLU 9 HE2 GLU 9 4.560 -11.279 3.265 75 H SER 10 H SER 10 0.484 -7.764 4.130 76 HA SER 10 HA SER 10 -0.293 -5.425 2.718 77 1HB SER 10 1HB SER 10 -0.566 -6.300 5.622 78 2HB SER 10 2HB SER 10 -1.169 -4.759 5.043 79 HG SER 10 HG SER 10 -1.940 -7.358 4.013 80 H TYR 11 H TYR 11 2.237 -6.411 5.039 81 HA TYR 11 HA TYR 11 2.938 -3.742 5.765 82 1HB TYR 11 1HB TYR 11 4.848 -5.047 6.838 83 2HB TYR 11 2HB TYR 11 3.286 -5.745 7.219 84 HD1 TYR 11 HD1 TYR 11 6.130 -6.078 4.806 85 HD2 TYR 11 HD2 TYR 11 2.891 -8.020 6.817 86 HE1 TYR 11 HE1 TYR 11 6.907 -8.325 3.904 87 HE2 TYR 11 HE2 TYR 11 3.679 -10.260 5.909 88 HH TYR 11 HH TYR 11 6.660 -10.485 4.007 89 H GLN 12 H GLN 12 3.383 -5.525 2.903 90 HA GLN 12 HA GLN 12 5.867 -4.355 2.210 91 1HB GLN 12 1HB GLN 12 3.637 -5.529 0.494 92 2HB GLN 12 2HB GLN 12 5.204 -5.048 -0.124 93 1HG GLN 12 1HG GLN 12 6.350 -6.711 1.227 94 2HG GLN 12 2HG GLN 12 4.904 -7.047 2.158 95 1HE2 GLN 12 1HE2 GLN 12 6.018 -9.170 1.190 96 2HE2 GLN 12 2HE2 GLN 12 5.144 -9.843 -0.146 97 H CYS 13 H CYS 13 2.439 -3.397 2.129 98 HA CYS 13 HA CYS 13 2.937 -1.414 0.105 99 1HB CYS 13 1HB CYS 13 0.404 -2.068 1.626 100 2HB CYS 13 2HB CYS 13 0.527 -0.978 0.259 101 H PHE 14 H PHE 14 2.644 -1.724 3.642 102 HA PHE 14 HA PHE 14 1.313 0.658 4.117 103 1HB PHE 14 1HB PHE 14 1.320 -0.743 5.992 104 2HB PHE 14 2HB PHE 14 2.856 -1.460 5.549 105 HD1 PHE 14 HD1 PHE 14 4.529 -1.184 7.096 106 HD2 PHE 14 HD2 PHE 14 1.651 1.905 6.662 107 HE1 PHE 14 HE1 PHE 14 5.664 0.128 8.909 108 HE2 PHE 14 HE2 PHE 14 2.786 3.218 8.475 109 HZ PHE 14 HZ PHE 14 4.779 2.314 9.576 110 HA PRO 15 HA PRO 15 5.645 2.497 4.750 111 1HB PRO 15 1HB PRO 15 7.812 1.178 3.735 112 2HB PRO 15 2HB PRO 15 7.320 1.064 5.413 113 1HG PRO 15 1HG PRO 15 6.996 -0.922 3.247 114 2HG PRO 15 2HG PRO 15 6.909 -1.164 4.981 115 1HD PRO 15 1HD PRO 15 4.701 -1.020 3.155 116 2HD PRO 15 2HD PRO 15 4.612 -1.146 4.901 117 H VAL 16 H VAL 16 5.207 0.700 1.786 118 HA VAL 16 HA VAL 16 6.404 2.521 0.077 119 HB VAL 16 HB VAL 16 4.503 0.298 -0.057 120 1HG1 VAL 16 1HG1 VAL 16 3.044 1.862 -1.150 121 2HG1 VAL 16 2HG1 VAL 16 4.377 2.503 -2.138 122 3HG1 VAL 16 3HG1 VAL 16 3.790 0.844 -2.406 123 1HG2 VAL 16 1HG2 VAL 16 6.695 1.248 -1.934 124 2HG2 VAL 16 2HG2 VAL 16 6.909 0.120 -0.575 125 3HG2 VAL 16 3HG2 VAL 16 5.894 -0.341 -1.962 126 H CYS 17 H CYS 17 3.158 2.484 1.617 127 HA CYS 17 HA CYS 17 2.184 4.567 -0.048 128 1HB CYS 17 1HB CYS 17 1.127 3.279 2.471 129 2HB CYS 17 2HB CYS 17 0.293 4.580 1.645 130 H LYS 18 H LYS 18 3.472 4.236 3.319 131 HA LYS 18 HA LYS 18 2.821 6.849 4.099 132 1HB LYS 18 1HB LYS 18 3.225 4.952 5.640 133 2HB LYS 18 2HB LYS 18 4.924 4.967 5.211 134 1HG LYS 18 1HG LYS 18 5.158 7.280 6.058 135 2HG LYS 18 2HG LYS 18 3.440 7.362 6.392 136 1HD LYS 18 1HD LYS 18 3.730 5.377 7.972 137 2HD LYS 18 2HD LYS 18 5.461 5.501 7.726 138 1HE LYS 18 1HE LYS 18 3.706 7.772 8.779 139 2HE LYS 18 2HE LYS 18 4.651 6.702 9.796 140 1HZ LYS 18 1HZ LYS 18 5.655 8.598 7.801 141 2HZ LYS 18 2HZ LYS 18 5.945 8.587 9.408 142 3HZ LYS 18 3HZ LYS 18 6.601 7.437 8.451 143 H SER 19 H SER 19 5.615 5.402 2.411 144 HA SER 19 HA SER 19 7.185 7.747 2.799 145 1HB SER 19 1HB SER 19 7.612 5.278 1.057 146 2HB SER 19 2HB SER 19 8.803 6.544 1.275 147 HG SER 19 HG SER 19 8.894 6.059 3.533 148 H ARG 20 H ARG 20 5.625 6.075 -0.065 149 HA ARG 20 HA ARG 20 6.911 8.039 -1.688 150 1HB ARG 20 1HB ARG 20 6.684 5.455 -2.124 151 2HB ARG 20 2HB ARG 20 5.068 5.831 -2.689 152 1HG ARG 20 1HG ARG 20 6.021 7.447 -4.346 153 2HG ARG 20 2HG ARG 20 7.638 7.079 -3.777 154 1HD ARG 20 1HD ARG 20 7.445 5.657 -5.647 155 2HD ARG 20 2HD ARG 20 7.029 4.578 -4.330 156 HE ARG 20 HE ARG 20 4.791 4.538 -5.071 157 1HH1 ARG 20 1HH1 ARG 20 6.436 7.252 -6.579 158 2HH1 ARG 20 2HH1 ARG 20 5.270 7.424 -7.848 159 1HH2 ARG 20 1HH2 ARG 20 3.265 4.735 -6.773 160 2HH2 ARG 20 2HH2 ARG 20 3.408 6.038 -7.904 161 H PHE 21 H PHE 21 3.593 6.998 -0.765 162 HA PHE 21 HA PHE 21 2.433 8.975 -2.541 163 1HB PHE 21 1HB PHE 21 1.437 6.796 -0.623 164 2HB PHE 21 2HB PHE 21 0.313 7.895 -1.397 165 HD1 PHE 21 HD1 PHE 21 -0.366 7.567 -3.641 166 HD2 PHE 21 HD2 PHE 21 2.829 5.267 -2.057 167 HE1 PHE 21 HE1 PHE 21 -0.443 6.072 -5.656 168 HE2 PHE 21 HE2 PHE 21 2.752 3.773 -4.072 169 HZ PHE 21 HZ PHE 21 1.117 4.193 -5.848 170 H GLY 22 H GLY 22 3.254 8.477 0.864 171 1HA GLY 22 1HA GLY 22 3.414 10.098 2.462 172 2HA GLY 22 2HA GLY 22 2.596 11.238 1.412 173 H LYS 23 H LYS 23 1.393 7.949 2.239 174 HA LYS 23 HA LYS 23 -1.020 9.236 3.245 175 1HB LYS 23 1HB LYS 23 -0.563 7.088 1.510 176 2HB LYS 23 2HB LYS 23 -1.105 6.335 2.996 177 1HG LYS 23 1HG LYS 23 -3.122 6.812 1.837 178 2HG LYS 23 2HG LYS 23 -3.007 8.101 3.020 179 1HD LYS 23 1HD LYS 23 -2.079 9.638 1.325 180 2HD LYS 23 2HD LYS 23 -2.027 8.350 0.137 181 1HE LYS 23 1HE LYS 23 -4.022 9.692 -0.281 182 2HE LYS 23 2HE LYS 23 -4.534 8.123 0.311 183 1HZ LYS 23 1HZ LYS 23 -4.166 10.420 2.096 184 2HZ LYS 23 2HZ LYS 23 -5.590 10.095 1.367 185 3HZ LYS 23 3HZ LYS 23 -4.947 9.021 2.415 186 H THR 24 H THR 24 -2.060 7.321 4.938 187 HA THR 24 HA THR 24 -0.213 7.663 7.189 188 HB THR 24 HB THR 24 -2.185 7.842 8.515 189 HG1 THR 24 HG1 THR 24 -3.439 6.595 6.170 190 1HG2 THR 24 1HG2 THR 24 -3.614 9.428 7.446 191 2HG2 THR 24 2HG2 THR 24 -2.067 9.638 6.592 192 3HG2 THR 24 3HG2 THR 24 -3.375 8.691 5.844 193 H ASN 25 H ASN 25 -1.956 5.237 5.266 194 HA ASN 25 HA ASN 25 -0.334 3.224 6.416 195 1HB ASN 25 1HB ASN 25 -2.257 3.483 8.099 196 2HB ASN 25 2HB ASN 25 -3.361 3.000 6.825 197 1HD2 ASN 25 1HD2 ASN 25 -3.898 1.274 8.295 198 2HD2 ASN 25 2HD2 ASN 25 -2.969 -0.189 8.294 199 H GLY 26 H GLY 26 -0.728 1.097 5.226 200 1HA GLY 26 1HA GLY 26 -2.517 1.276 2.914 201 2HA GLY 26 2HA GLY 26 -0.802 1.086 2.608 202 H ARG 27 H ARG 27 -3.117 -0.785 2.094 203 HA ARG 27 HA ARG 27 -1.894 -3.049 3.399 204 1HB ARG 27 1HB ARG 27 -4.882 -2.413 3.439 205 2HB ARG 27 2HB ARG 27 -4.258 -4.016 3.773 206 1HG ARG 27 1HG ARG 27 -2.798 -2.970 5.599 207 2HG ARG 27 2HG ARG 27 -3.651 -1.463 5.333 208 1HD ARG 27 1HD ARG 27 -4.737 -2.606 7.187 209 2HD ARG 27 2HD ARG 27 -5.832 -2.659 5.820 210 HE ARG 27 HE ARG 27 -5.597 -4.987 5.752 211 1HH1 ARG 27 1HH1 ARG 27 -3.030 -3.619 7.731 212 2HH1 ARG 27 2HH1 ARG 27 -2.390 -5.161 8.193 213 1HH2 ARG 27 1HH2 ARG 27 -4.734 -7.022 6.336 214 2HH2 ARG 27 2HH2 ARG 27 -3.376 -7.110 7.408 215 H CYS 28 H CYS 28 -2.657 -5.178 2.299 216 HA CYS 28 HA CYS 28 -2.531 -4.586 -0.532 217 1HB CYS 28 1HB CYS 28 -0.901 -6.110 0.702 218 2HB CYS 28 2HB CYS 28 -2.203 -7.279 0.788 219 H VAL 29 H VAL 29 -4.609 -4.261 -1.341 220 HA VAL 29 HA VAL 29 -6.706 -6.077 -0.438 221 HB VAL 29 HB VAL 29 -6.750 -3.529 -2.066 222 1HG1 VAL 29 1HG1 VAL 29 -8.577 -4.887 -2.820 223 2HG1 VAL 29 2HG1 VAL 29 -9.012 -5.331 -1.152 224 3HG1 VAL 29 3HG1 VAL 29 -9.239 -3.658 -1.716 225 1HG2 VAL 29 1HG2 VAL 29 -6.204 -3.157 0.285 226 2HG2 VAL 29 2HG2 VAL 29 -7.844 -2.567 -0.074 227 3HG2 VAL 29 3HG2 VAL 29 -7.621 -4.110 0.785 228 H ASN 30 H ASN 30 -6.786 -7.985 -1.527 229 HA ASN 30 HA ASN 30 -7.075 -9.365 -3.171 230 1HB ASN 30 1HB ASN 30 -7.654 -6.907 -4.909 231 2HB ASN 30 2HB ASN 30 -8.123 -8.553 -5.285 232 1HD2 ASN 30 1HD2 ASN 30 -9.917 -6.449 -5.131 233 2HD2 ASN 30 2HD2 ASN 30 -10.997 -6.668 -3.794 234 H GLY 31 H GLY 31 -4.383 -8.216 -2.699 235 1HA GLY 31 1HA GLY 31 -2.430 -9.020 -3.583 236 2HA GLY 31 2HA GLY 31 -3.233 -9.355 -5.105 237 H PHE 32 H PHE 32 -4.037 -6.207 -3.981 238 HA PHE 32 HA PHE 32 -1.705 -5.003 -5.255 239 1HB PHE 32 1HB PHE 32 -4.685 -4.701 -5.908 240 2HB PHE 32 2HB PHE 32 -3.564 -3.412 -6.299 241 HD1 PHE 32 HD1 PHE 32 -4.925 -6.553 -7.334 242 HD2 PHE 32 HD2 PHE 32 -1.617 -3.946 -7.851 243 HE1 PHE 32 HE1 PHE 32 -4.362 -7.698 -9.495 244 HE2 PHE 32 HE2 PHE 32 -1.053 -5.091 -10.012 245 HZ PHE 32 HZ PHE 32 -2.432 -6.953 -10.809 246 H CYS 33 H CYS 33 -1.295 -2.795 -4.569 247 HA CYS 33 HA CYS 33 -1.849 -2.684 -1.801 248 1HB CYS 33 1HB CYS 33 -0.335 -0.834 -3.649 249 2HB CYS 33 2HB CYS 33 -0.469 -0.575 -1.921 250 H ASP 34 H ASP 34 -3.123 -1.125 -0.654 251 HA ASP 34 HA ASP 34 -4.472 0.824 -2.341 252 1HB ASP 34 1HB ASP 34 -6.007 -1.084 -1.667 253 2HB ASP 34 2HB ASP 34 -5.728 -0.667 0.012 254 HD2 ASP 34 HD2 ASP 34 -8.672 1.059 -1.755 255 H CYS 35 H CYS 35 -4.175 2.913 -1.502 256 HA CYS 35 HA CYS 35 -2.862 3.000 1.107 257 1HB CYS 35 1HB CYS 35 -2.737 4.984 -1.175 258 2HB CYS 35 2HB CYS 35 -1.884 5.119 0.350 259 H PHE 36 H PHE 36 -3.761 4.270 2.754 260 HA PHE 36 HA PHE 36 -5.789 6.203 2.089 261 1HB PHE 36 1HB PHE 36 -7.421 5.028 3.661 262 2HB PHE 36 2HB PHE 36 -7.091 4.098 2.213 263 HD1 PHE 36 HD1 PHE 36 -5.740 2.063 2.321 264 HD2 PHE 36 HD2 PHE 36 -6.640 4.279 5.827 265 HE1 PHE 36 HE1 PHE 36 -5.051 0.106 3.736 266 HE2 PHE 36 HE2 PHE 36 -5.951 2.322 7.240 267 HZ PHE 36 HZ PHE 36 -5.165 0.260 6.178 Start of MODEL 4 1 1H ARG 1 1H ARG 1 -6.687 4.526 -1.304 2 2H ARG 1 2H ARG 1 -8.300 4.793 -1.044 3 3H ARG 1 3H ARG 1 -7.669 3.276 -0.837 4 HA ARG 1 HA ARG 1 -8.884 3.373 -2.776 5 1HB ARG 1 1HB ARG 1 -7.112 5.771 -3.276 6 2HB ARG 1 2HB ARG 1 -7.639 4.841 -4.663 7 1HG ARG 1 1HG ARG 1 -10.024 5.104 -3.916 8 2HG ARG 1 2HG ARG 1 -9.481 6.066 -2.555 9 1HD ARG 1 1HD ARG 1 -8.486 7.739 -4.127 10 2HD ARG 1 2HD ARG 1 -9.008 6.773 -5.493 11 HE ARG 1 HE ARG 1 -11.284 7.276 -3.835 12 1HH1 ARG 1 1HH1 ARG 1 -9.072 9.008 -5.954 13 2HH1 ARG 1 2HH1 ARG 1 -10.236 10.213 -6.395 14 1HH2 ARG 1 1HH2 ARG 1 -12.819 8.866 -4.415 15 2HH2 ARG 1 2HH2 ARG 1 -12.379 10.135 -5.510 16 HA PRO 2 HA PRO 2 -5.919 0.555 -4.196 17 1HB PRO 2 1HB PRO 2 -6.912 -0.190 -6.631 18 2HB PRO 2 2HB PRO 2 -7.537 -0.802 -5.113 19 1HG PRO 2 1HG PRO 2 -8.723 1.203 -6.933 20 2HG PRO 2 2HG PRO 2 -9.500 0.277 -5.663 21 1HD PRO 2 1HD PRO 2 -8.719 3.035 -5.544 22 2HD PRO 2 2HD PRO 2 -9.389 2.079 -4.238 23 H THR 3 H THR 3 -4.123 0.022 -5.586 24 HA THR 3 HA THR 3 -3.560 2.189 -7.485 25 HB THR 3 HB THR 3 -1.331 2.450 -6.568 26 HG1 THR 3 HG1 THR 3 -2.190 0.205 -4.879 27 1HG2 THR 3 1HG2 THR 3 -1.691 3.054 -4.228 28 2HG2 THR 3 2HG2 THR 3 -3.176 3.475 -5.113 29 3HG2 THR 3 3HG2 THR 3 -3.118 1.996 -4.125 30 H ASP 4 H ASP 4 -0.995 1.196 -8.243 31 HA ASP 4 HA ASP 4 -1.987 -1.125 -9.685 32 1HB ASP 4 1HB ASP 4 -0.350 -0.520 -11.425 33 2HB ASP 4 2HB ASP 4 -1.381 0.850 -11.061 34 HD2 ASP 4 HD2 ASP 4 -0.577 2.449 -9.991 35 H ILE 5 H ILE 5 -0.185 -0.404 -7.010 36 HA ILE 5 HA ILE 5 2.269 -1.739 -7.681 37 HB ILE 5 HB ILE 5 1.219 -0.557 -5.110 38 1HG1 ILE 5 1HG1 ILE 5 3.329 0.528 -6.993 39 2HG1 ILE 5 2HG1 ILE 5 1.642 0.999 -7.060 40 1HG2 ILE 5 1HG2 ILE 5 3.998 -1.582 -5.755 41 2HG2 ILE 5 2HG2 ILE 5 3.502 -0.746 -4.264 42 3HG2 ILE 5 3HG2 ILE 5 2.827 -2.347 -4.654 43 1HD1 ILE 5 1HD1 ILE 5 1.853 1.574 -4.542 44 2HD1 ILE 5 2HD1 ILE 5 3.611 1.428 -4.782 45 3HD1 ILE 5 3HD1 ILE 5 2.686 2.650 -5.689 46 H LYS 6 H LYS 6 2.537 -3.900 -7.658 47 HA LYS 6 HA LYS 6 0.460 -5.543 -6.587 48 1HB LYS 6 1HB LYS 6 3.102 -6.139 -7.940 49 2HB LYS 6 2HB LYS 6 2.009 -7.388 -7.382 50 1HG LYS 6 1HG LYS 6 0.198 -6.497 -8.819 51 2HG LYS 6 2HG LYS 6 1.217 -5.162 -9.320 52 1HD LYS 6 1HD LYS 6 2.829 -6.758 -10.353 53 2HD LYS 6 2HD LYS 6 1.851 -8.110 -9.816 54 1HE LYS 6 1HE LYS 6 -0.057 -7.305 -11.200 55 2HE LYS 6 2HE LYS 6 0.878 -5.913 -11.705 56 1HZ LYS 6 1HZ LYS 6 2.467 -7.411 -12.702 57 2HZ LYS 6 2HZ LYS 6 1.605 -8.713 -12.223 58 3HZ LYS 6 3HZ LYS 6 0.978 -7.675 -13.317 59 H CYS 7 H CYS 7 0.668 -7.112 -4.881 60 HA CYS 7 HA CYS 7 3.017 -7.039 -3.256 61 1HB CYS 7 1HB CYS 7 1.735 -6.382 -1.185 62 2HB CYS 7 2HB CYS 7 2.156 -5.094 -2.295 63 H SER 8 H SER 8 2.918 -8.805 -1.625 64 HA SER 8 HA SER 8 0.741 -10.646 -2.135 65 1HB SER 8 1HB SER 8 2.112 -12.297 -0.927 66 2HB SER 8 2HB SER 8 3.047 -11.544 -2.205 67 HG SER 8 HG SER 8 3.905 -11.769 0.187 68 H GLU 9 H GLU 9 1.903 -8.265 0.164 69 HA GLU 9 HA GLU 9 0.044 -9.175 2.156 70 1HB GLU 9 1HB GLU 9 3.048 -9.380 2.455 71 2HB GLU 9 2HB GLU 9 2.060 -9.066 3.868 72 1HG GLU 9 1HG GLU 9 1.651 -11.415 1.955 73 2HG GLU 9 2HG GLU 9 2.489 -11.517 3.491 74 HE2 GLU 9 HE2 GLU 9 -1.307 -12.063 3.593 75 H SER 10 H SER 10 0.196 -7.593 4.176 76 HA SER 10 HA SER 10 -0.367 -5.190 2.762 77 1HB SER 10 1HB SER 10 -0.861 -6.138 5.609 78 2HB SER 10 2HB SER 10 -1.254 -4.506 5.108 79 HG SER 10 HG SER 10 -3.075 -5.973 4.913 80 H TYR 11 H TYR 11 2.038 -6.406 5.080 81 HA TYR 11 HA TYR 11 2.881 -3.870 6.020 82 1HB TYR 11 1HB TYR 11 4.590 -5.271 7.078 83 2HB TYR 11 2HB TYR 11 3.146 -6.262 7.018 84 HD1 TYR 11 HD1 TYR 11 6.413 -5.635 5.358 85 HD2 TYR 11 HD2 TYR 11 3.100 -8.308 5.792 86 HE1 TYR 11 HE1 TYR 11 7.695 -7.440 4.106 87 HE2 TYR 11 HE2 TYR 11 4.393 -10.102 4.538 88 HH TYR 11 HH TYR 11 7.694 -9.467 3.377 89 H GLN 12 H GLN 12 3.321 -5.539 3.020 90 HA GLN 12 HA GLN 12 5.814 -4.362 2.399 91 1HB GLN 12 1HB GLN 12 3.632 -5.520 0.611 92 2HB GLN 12 2HB GLN 12 5.225 -5.055 0.048 93 1HG GLN 12 1HG GLN 12 6.311 -6.748 1.369 94 2HG GLN 12 2HG GLN 12 4.882 -7.018 2.347 95 1HE2 GLN 12 1HE2 GLN 12 5.855 -9.210 1.447 96 2HE2 GLN 12 2HE2 GLN 12 4.952 -9.881 0.130 97 H CYS 13 H CYS 13 2.424 -3.341 2.329 98 HA CYS 13 HA CYS 13 2.906 -1.434 0.229 99 1HB CYS 13 1HB CYS 13 0.412 -2.031 1.835 100 2HB CYS 13 2HB CYS 13 0.501 -0.928 0.476 101 H PHE 14 H PHE 14 2.570 -1.607 3.794 102 HA PHE 14 HA PHE 14 1.348 0.847 4.148 103 1HB PHE 14 1HB PHE 14 1.284 -0.429 6.102 104 2HB PHE 14 2HB PHE 14 2.761 -1.276 5.685 105 HD1 PHE 14 HD1 PHE 14 4.450 -1.060 7.222 106 HD2 PHE 14 HD2 PHE 14 1.828 2.224 6.629 107 HE1 PHE 14 HE1 PHE 14 5.694 0.249 8.964 108 HE2 PHE 14 HE2 PHE 14 3.073 3.532 8.372 109 HZ PHE 14 HZ PHE 14 4.991 2.529 9.519 110 HA PRO 15 HA PRO 15 5.729 2.534 4.844 111 1HB PRO 15 1HB PRO 15 7.879 1.108 3.942 112 2HB PRO 15 2HB PRO 15 7.318 1.049 5.601 113 1HG PRO 15 1HG PRO 15 6.998 -0.968 3.462 114 2HG PRO 15 2HG PRO 15 6.833 -1.170 5.195 115 1HD PRO 15 1HD PRO 15 4.707 -0.977 3.279 116 2HD PRO 15 2HD PRO 15 4.543 -1.062 5.022 117 H VAL 16 H VAL 16 5.091 0.793 1.920 118 HA VAL 16 HA VAL 16 6.627 2.508 0.276 119 HB VAL 16 HB VAL 16 5.001 0.159 0.054 120 1HG1 VAL 16 1HG1 VAL 16 4.028 0.569 -2.194 121 2HG1 VAL 16 2HG1 VAL 16 3.270 1.557 -0.922 122 3HG1 VAL 16 3HG1 VAL 16 4.447 2.292 -2.037 123 1HG2 VAL 16 1HG2 VAL 16 6.925 1.478 -1.893 124 2HG2 VAL 16 2HG2 VAL 16 7.363 0.343 -0.594 125 3HG2 VAL 16 3HG2 VAL 16 6.361 -0.209 -1.959 126 H CYS 17 H CYS 17 3.285 2.519 1.548 127 HA CYS 17 HA CYS 17 2.413 4.534 -0.250 128 1HB CYS 17 1HB CYS 17 1.228 3.432 2.304 129 2HB CYS 17 2HB CYS 17 0.443 4.648 1.314 130 H LYS 18 H LYS 18 3.776 4.335 3.067 131 HA LYS 18 HA LYS 18 3.248 7.042 3.714 132 1HB LYS 18 1HB LYS 18 3.526 5.254 5.390 133 2HB LYS 18 2HB LYS 18 5.205 5.067 4.925 134 1HG LYS 18 1HG LYS 18 5.787 7.265 5.711 135 2HG LYS 18 2HG LYS 18 4.111 7.768 5.799 136 1HD LYS 18 1HD LYS 18 4.935 7.296 8.062 137 2HD LYS 18 2HD LYS 18 3.710 6.119 7.637 138 1HE LYS 18 1HE LYS 18 5.656 5.013 8.702 139 2HE LYS 18 2HE LYS 18 5.456 4.459 7.053 140 1HZ LYS 18 1HZ LYS 18 7.226 6.702 7.673 141 2HZ LYS 18 2HZ LYS 18 7.748 5.159 7.794 142 3HZ LYS 18 3HZ LYS 18 7.234 5.737 6.355 143 H SER 19 H SER 19 5.874 5.278 2.070 144 HA SER 19 HA SER 19 7.682 7.438 2.262 145 1HB SER 19 1HB SER 19 8.487 5.137 2.015 146 2HB SER 19 2HB SER 19 7.634 4.953 0.495 147 HG SER 19 HG SER 19 9.902 5.416 0.175 148 H ARG 20 H ARG 20 5.480 6.119 -0.312 149 HA ARG 20 HA ARG 20 6.715 7.856 -2.199 150 1HB ARG 20 1HB ARG 20 5.999 5.485 -2.726 151 2HB ARG 20 2HB ARG 20 4.327 5.972 -2.537 152 1HG ARG 20 1HG ARG 20 4.514 7.558 -4.404 153 2HG ARG 20 2HG ARG 20 6.239 7.278 -4.527 154 1HD ARG 20 1HD ARG 20 4.161 5.069 -4.902 155 2HD ARG 20 2HD ARG 20 4.808 6.013 -6.231 156 HE ARG 20 HE ARG 20 7.029 5.025 -4.764 157 1HH1 ARG 20 1HH1 ARG 20 4.460 3.856 -6.861 158 2HH1 ARG 20 2HH1 ARG 20 5.286 2.390 -7.272 159 1HH2 ARG 20 1HH2 ARG 20 8.116 3.080 -5.290 160 2HH2 ARG 20 2HH2 ARG 20 7.398 1.967 -6.407 161 H PHE 21 H PHE 21 3.348 7.312 -0.912 162 HA PHE 21 HA PHE 21 2.508 9.699 -2.347 163 1HB PHE 21 1HB PHE 21 1.005 7.527 -0.764 164 2HB PHE 21 2HB PHE 21 0.233 8.744 -1.763 165 HD1 PHE 21 HD1 PHE 21 1.540 8.781 -4.251 166 HD2 PHE 21 HD2 PHE 21 0.907 5.439 -1.712 167 HE1 PHE 21 HE1 PHE 21 1.686 7.247 -6.232 168 HE2 PHE 21 HE2 PHE 21 1.053 3.906 -3.693 169 HZ PHE 21 HZ PHE 21 1.441 4.828 -5.930 170 H GLY 22 H GLY 22 3.319 8.576 0.860 171 1HA GLY 22 1HA GLY 22 3.446 9.768 2.790 172 2HA GLY 22 2HA GLY 22 2.722 11.152 1.996 173 H LYS 23 H LYS 23 1.336 7.832 2.049 174 HA LYS 23 HA LYS 23 -1.025 8.940 3.333 175 1HB LYS 23 1HB LYS 23 -0.531 6.976 1.323 176 2HB LYS 23 2HB LYS 23 -1.286 6.162 2.679 177 1HG LYS 23 1HG LYS 23 -3.119 6.952 1.382 178 2HG LYS 23 2HG LYS 23 -3.007 8.095 2.705 179 1HD LYS 23 1HD LYS 23 -1.483 9.505 1.121 180 2HD LYS 23 2HD LYS 23 -2.065 8.466 -0.165 181 1HE LYS 23 1HE LYS 23 -4.426 9.082 0.410 182 2HE LYS 23 2HE LYS 23 -3.841 10.122 1.692 183 1HZ LYS 23 1HZ LYS 23 -2.654 11.398 0.034 184 2HZ LYS 23 2HZ LYS 23 -3.204 10.429 -1.161 185 3HZ LYS 23 3HZ LYS 23 -4.251 11.353 -0.312 186 H THR 24 H THR 24 -2.092 7.590 5.096 187 HA THR 24 HA THR 24 -0.089 7.519 7.144 188 HB THR 24 HB THR 24 -2.258 7.074 8.526 189 HG1 THR 24 HG1 THR 24 -4.159 7.223 7.213 190 1HG2 THR 24 1HG2 THR 24 -2.304 9.477 6.625 191 2HG2 THR 24 2HG2 THR 24 -3.136 9.355 8.194 192 3HG2 THR 24 3HG2 THR 24 -1.359 9.413 8.132 193 H ASN 25 H ASN 25 -2.049 5.133 5.352 194 HA ASN 25 HA ASN 25 -0.239 3.130 6.250 195 1HB ASN 25 1HB ASN 25 -2.123 3.292 8.040 196 2HB ASN 25 2HB ASN 25 -3.214 2.693 6.806 197 1HD2 ASN 25 1HD2 ASN 25 -0.296 2.011 8.651 198 2HD2 ASN 25 2HD2 ASN 25 -0.350 0.282 8.548 199 H GLY 26 H GLY 26 -0.810 0.970 5.070 200 1HA GLY 26 1HA GLY 26 -2.766 1.213 2.922 201 2HA GLY 26 2HA GLY 26 -1.089 1.054 2.436 202 H ARG 27 H ARG 27 -3.397 -0.840 2.081 203 HA ARG 27 HA ARG 27 -2.167 -3.099 3.409 204 1HB ARG 27 1HB ARG 27 -5.155 -2.446 3.403 205 2HB ARG 27 2HB ARG 27 -4.519 -4.015 3.854 206 1HG ARG 27 1HG ARG 27 -3.109 -2.872 5.631 207 2HG ARG 27 2HG ARG 27 -3.894 -1.358 5.227 208 1HD ARG 27 1HD ARG 27 -5.102 -2.251 7.112 209 2HD ARG 27 2HD ARG 27 -6.139 -2.490 5.719 210 HE ARG 27 HE ARG 27 -5.847 -4.816 5.907 211 1HH1 ARG 27 1HH1 ARG 27 -3.402 -3.179 7.834 212 2HH1 ARG 27 2HH1 ARG 27 -2.940 -4.607 8.696 213 1HH2 ARG 27 1HH2 ARG 27 -5.220 -6.709 7.025 214 2HH2 ARG 27 2HH2 ARG 27 -3.951 -6.638 8.202 215 H CYS 28 H CYS 28 -2.780 -5.226 2.327 216 HA CYS 28 HA CYS 28 -2.637 -4.648 -0.497 217 1HB CYS 28 1HB CYS 28 -0.999 -6.115 0.797 218 2HB CYS 28 2HB CYS 28 -2.265 -7.328 0.836 219 H VAL 29 H VAL 29 -4.680 -4.422 -1.409 220 HA VAL 29 HA VAL 29 -6.730 -6.338 -0.592 221 HB VAL 29 HB VAL 29 -6.849 -3.759 -2.165 222 1HG1 VAL 29 1HG1 VAL 29 -9.338 -4.020 -1.902 223 2HG1 VAL 29 2HG1 VAL 29 -8.579 -5.192 -3.006 224 3HG1 VAL 29 3HG1 VAL 29 -9.045 -5.690 -1.363 225 1HG2 VAL 29 1HG2 VAL 29 -6.399 -3.407 0.208 226 2HG2 VAL 29 2HG2 VAL 29 -8.058 -2.900 -0.189 227 3HG2 VAL 29 3HG2 VAL 29 -7.776 -4.447 0.644 228 H ASN 30 H ASN 30 -6.602 -8.231 -1.718 229 HA ASN 30 HA ASN 30 -6.817 -9.577 -3.402 230 1HB ASN 30 1HB ASN 30 -7.554 -7.107 -5.061 231 2HB ASN 30 2HB ASN 30 -7.915 -8.767 -5.493 232 1HD2 ASN 30 1HD2 ASN 30 -9.853 -6.815 -5.284 233 2HD2 ASN 30 2HD2 ASN 30 -10.910 -7.142 -3.951 234 H GLY 31 H GLY 31 -4.197 -8.284 -2.901 235 1HA GLY 31 1HA GLY 31 -2.214 -8.988 -3.816 236 2HA GLY 31 2HA GLY 31 -3.002 -9.273 -5.356 237 H PHE 32 H PHE 32 -3.979 -6.231 -4.139 238 HA PHE 32 HA PHE 32 -1.677 -4.869 -5.316 239 1HB PHE 32 1HB PHE 32 -4.669 -4.657 -5.920 240 2HB PHE 32 2HB PHE 32 -3.633 -3.269 -6.195 241 HD1 PHE 32 HD1 PHE 32 -4.642 -6.531 -7.403 242 HD2 PHE 32 HD2 PHE 32 -1.833 -3.389 -7.899 243 HE1 PHE 32 HE1 PHE 32 -4.026 -7.438 -9.661 244 HE2 PHE 32 HE2 PHE 32 -1.217 -4.297 -10.156 245 HZ PHE 32 HZ PHE 32 -2.321 -6.310 -11.010 246 H CYS 33 H CYS 33 -1.273 -2.748 -4.458 247 HA CYS 33 HA CYS 33 -1.931 -2.704 -1.711 248 1HB CYS 33 1HB CYS 33 -0.397 -0.778 -3.463 249 2HB CYS 33 2HB CYS 33 -0.593 -0.568 -1.734 250 H ASP 34 H ASP 34 -3.404 -1.349 -0.610 251 HA ASP 34 HA ASP 34 -4.714 0.649 -2.282 252 1HB ASP 34 1HB ASP 34 -6.208 -1.268 -1.563 253 2HB ASP 34 2HB ASP 34 -5.899 -0.840 0.108 254 HD2 ASP 34 HD2 ASP 34 -7.653 -0.219 -2.585 255 H CYS 35 H CYS 35 -4.236 2.731 -1.527 256 HA CYS 35 HA CYS 35 -2.924 2.813 1.081 257 1HB CYS 35 1HB CYS 35 -2.664 4.673 -1.291 258 2HB CYS 35 2HB CYS 35 -1.828 4.858 0.238 259 H PHE 36 H PHE 36 -3.664 4.273 2.669 260 HA PHE 36 HA PHE 36 -5.588 6.281 1.958 261 1HB PHE 36 1HB PHE 36 -7.275 5.266 3.591 262 2HB PHE 36 2HB PHE 36 -7.031 4.282 2.162 263 HD1 PHE 36 HD1 PHE 36 -5.920 2.134 2.305 264 HD2 PHE 36 HD2 PHE 36 -6.413 4.547 5.762 265 HE1 PHE 36 HE1 PHE 36 -5.346 0.169 3.759 266 HE2 PHE 36 HE2 PHE 36 -5.839 2.581 7.215 267 HZ PHE 36 HZ PHE 36 -5.313 0.417 6.196 Start of MODEL 5 1 1H ARG 1 1H ARG 1 -5.058 5.301 -1.939 2 2H ARG 1 2H ARG 1 -6.152 6.544 -1.973 3 3H ARG 1 3H ARG 1 -6.549 5.109 -1.248 4 HA ARG 1 HA ARG 1 -7.647 5.100 -3.172 5 1HB ARG 1 1HB ARG 1 -6.428 5.477 -5.385 6 2HB ARG 1 2HB ARG 1 -6.554 6.901 -4.372 7 1HG ARG 1 1HG ARG 1 -4.259 6.697 -3.629 8 2HG ARG 1 2HG ARG 1 -4.114 5.078 -4.282 9 1HD ARG 1 1HD ARG 1 -2.995 6.548 -5.839 10 2HD ARG 1 2HD ARG 1 -4.492 6.062 -6.608 11 HE ARG 1 HE ARG 1 -5.348 8.259 -6.344 12 1HH1 ARG 1 1HH1 ARG 1 -2.469 7.912 -4.365 13 2HH1 ARG 1 2HH1 ARG 1 -2.104 9.604 -4.361 14 1HH2 ARG 1 1HH2 ARG 1 -4.906 10.511 -6.295 15 2HH2 ARG 1 2HH2 ARG 1 -3.568 11.102 -5.368 16 HA PRO 2 HA PRO 2 -5.942 1.090 -4.242 17 1HB PRO 2 1HB PRO 2 -7.554 0.441 -6.352 18 2HB PRO 2 2HB PRO 2 -7.987 0.127 -4.683 19 1HG PRO 2 1HG PRO 2 -9.008 2.225 -6.499 20 2HG PRO 2 2HG PRO 2 -9.709 1.627 -5.008 21 1HD PRO 2 1HD PRO 2 -8.291 4.094 -5.371 22 2HD PRO 2 2HD PRO 2 -8.890 3.443 -3.858 23 H THR 3 H THR 3 -4.406 0.180 -5.604 24 HA THR 3 HA THR 3 -3.827 1.846 -7.952 25 HB THR 3 HB THR 3 -1.519 2.039 -7.303 26 HG1 THR 3 HG1 THR 3 -2.344 0.141 -5.218 27 1HG2 THR 3 1HG2 THR 3 -1.522 3.011 -5.064 28 2HG2 THR 3 2HG2 THR 3 -3.078 3.437 -5.818 29 3HG2 THR 3 3HG2 THR 3 -2.997 2.117 -4.625 30 H ASP 4 H ASP 4 -1.493 0.396 -8.723 31 HA ASP 4 HA ASP 4 -2.581 -2.299 -8.961 32 1HB ASP 4 1HB ASP 4 -1.565 -2.441 -11.201 33 2HB ASP 4 2HB ASP 4 -2.685 -1.095 -11.129 34 HD2 ASP 4 HD2 ASP 4 0.656 -0.232 -12.625 35 H ILE 5 H ILE 5 -0.576 -0.795 -7.103 36 HA ILE 5 HA ILE 5 1.982 -1.859 -7.790 37 HB ILE 5 HB ILE 5 0.900 -0.576 -5.280 38 1HG1 ILE 5 1HG1 ILE 5 2.800 0.643 -7.281 39 2HG1 ILE 5 2HG1 ILE 5 1.065 0.730 -7.509 40 1HG2 ILE 5 1HG2 ILE 5 3.748 -1.323 -6.000 41 2HG2 ILE 5 2HG2 ILE 5 3.266 -0.302 -4.624 42 3HG2 ILE 5 3HG2 ILE 5 2.760 -2.008 -4.687 43 1HD1 ILE 5 1HD1 ILE 5 2.669 1.802 -5.150 44 2HD1 ILE 5 2HD1 ILE 5 1.716 2.733 -6.329 45 3HD1 ILE 5 3HD1 ILE 5 0.893 1.691 -5.143 46 H LYS 6 H LYS 6 2.448 -3.995 -7.712 47 HA LYS 6 HA LYS 6 0.565 -5.755 -6.571 48 1HB LYS 6 1HB LYS 6 1.899 -7.486 -7.492 49 2HB LYS 6 2HB LYS 6 1.950 -6.155 -8.630 50 1HG LYS 6 1HG LYS 6 4.142 -5.415 -7.534 51 2HG LYS 6 2HG LYS 6 4.105 -6.896 -6.597 52 1HD LYS 6 1HD LYS 6 4.055 -8.228 -8.725 53 2HD LYS 6 2HD LYS 6 4.117 -6.742 -9.650 54 1HE LYS 6 1HE LYS 6 6.315 -6.173 -8.590 55 2HE LYS 6 2HE LYS 6 6.252 -7.660 -7.665 56 1HZ LYS 6 1HZ LYS 6 7.543 -7.921 -9.657 57 2HZ LYS 6 2HZ LYS 6 6.223 -8.878 -9.737 58 3HZ LYS 6 3HZ LYS 6 6.279 -7.492 -10.599 59 H CYS 7 H CYS 7 0.778 -7.206 -4.787 60 HA CYS 7 HA CYS 7 3.095 -7.004 -3.130 61 1HB CYS 7 1HB CYS 7 1.815 -6.306 -1.099 62 2HB CYS 7 2HB CYS 7 2.114 -5.042 -2.276 63 H SER 8 H SER 8 3.047 -8.736 -1.472 64 HA SER 8 HA SER 8 0.958 -10.677 -1.974 65 1HB SER 8 1HB SER 8 2.381 -12.240 -0.712 66 2HB SER 8 2HB SER 8 3.304 -11.469 -1.987 67 HG SER 8 HG SER 8 3.501 -11.169 0.833 68 H GLU 9 H GLU 9 1.996 -8.217 0.307 69 HA GLU 9 HA GLU 9 0.048 -9.090 2.224 70 1HB GLU 9 1HB GLU 9 2.934 -9.607 2.533 71 2HB GLU 9 2HB GLU 9 2.273 -8.694 3.875 72 1HG GLU 9 1HG GLU 9 1.063 -11.288 2.804 73 2HG GLU 9 2HG GLU 9 2.140 -11.201 4.184 74 HE2 GLU 9 HE2 GLU 9 -1.421 -10.974 5.235 75 H SER 10 H SER 10 0.127 -7.446 4.222 76 HA SER 10 HA SER 10 -0.406 -5.080 2.739 77 1HB SER 10 1HB SER 10 -0.935 -5.908 5.620 78 2HB SER 10 2HB SER 10 -1.380 -4.330 5.002 79 HG SER 10 HG SER 10 -2.295 -6.889 3.996 80 H TYR 11 H TYR 11 1.928 -6.226 5.173 81 HA TYR 11 HA TYR 11 2.756 -3.653 6.027 82 1HB TYR 11 1HB TYR 11 4.406 -5.016 7.219 83 2HB TYR 11 2HB TYR 11 2.956 -5.996 7.150 84 HD1 TYR 11 HD1 TYR 11 2.942 -8.103 6.039 85 HD2 TYR 11 HD2 TYR 11 6.287 -5.474 5.580 86 HE1 TYR 11 HE1 TYR 11 4.265 -9.968 4.927 87 HE2 TYR 11 HE2 TYR 11 7.597 -7.348 4.469 88 HH TYR 11 HH TYR 11 6.126 -10.554 4.014 89 H GLN 12 H GLN 12 3.251 -5.414 3.109 90 HA GLN 12 HA GLN 12 5.796 -4.294 2.547 91 1HB GLN 12 1HB GLN 12 3.692 -5.545 0.727 92 2HB GLN 12 2HB GLN 12 5.309 -5.106 0.211 93 1HG GLN 12 1HG GLN 12 6.329 -6.710 1.717 94 2HG GLN 12 2HG GLN 12 4.818 -6.980 2.565 95 1HE2 GLN 12 1HE2 GLN 12 6.058 -9.138 1.730 96 2HE2 GLN 12 2HE2 GLN 12 5.253 -9.882 0.388 97 H CYS 13 H CYS 13 2.426 -3.273 2.326 98 HA CYS 13 HA CYS 13 2.977 -1.380 0.231 99 1HB CYS 13 1HB CYS 13 0.445 -1.889 1.809 100 2HB CYS 13 2HB CYS 13 0.587 -0.828 0.421 101 H PHE 14 H PHE 14 2.697 -1.558 3.781 102 HA PHE 14 HA PHE 14 1.502 0.886 4.220 103 1HB PHE 14 1HB PHE 14 1.559 -0.396 6.170 104 2HB PHE 14 2HB PHE 14 3.010 -1.238 5.660 105 HD1 PHE 14 HD1 PHE 14 4.763 -1.041 7.125 106 HD2 PHE 14 HD2 PHE 14 2.152 2.270 6.646 107 HE1 PHE 14 HE1 PHE 14 6.107 0.262 8.798 108 HE2 PHE 14 HE2 PHE 14 3.495 3.572 8.320 109 HZ PHE 14 HZ PHE 14 5.457 2.553 9.375 110 HA PRO 15 HA PRO 15 5.900 2.613 4.654 111 1HB PRO 15 1HB PRO 15 8.008 1.196 3.644 112 2HB PRO 15 2HB PRO 15 7.543 1.149 5.334 113 1HG PRO 15 1HG PRO 15 7.120 -0.893 3.238 114 2HG PRO 15 2HG PRO 15 7.056 -1.077 4.980 115 1HD PRO 15 1HD PRO 15 4.823 -0.923 3.188 116 2HD PRO 15 2HD PRO 15 4.759 -0.992 4.937 117 H VAL 16 H VAL 16 5.257 0.773 1.767 118 HA VAL 16 HA VAL 16 6.525 2.514 -0.009 119 HB VAL 16 HB VAL 16 4.625 0.292 -0.068 120 1HG1 VAL 16 1HG1 VAL 16 3.864 0.772 -2.410 121 2HG1 VAL 16 2HG1 VAL 16 3.146 1.834 -1.175 122 3HG1 VAL 16 3HG1 VAL 16 4.463 2.436 -2.211 123 1HG2 VAL 16 1HG2 VAL 16 5.989 -0.388 -1.980 124 2HG2 VAL 16 2HG2 VAL 16 6.785 1.204 -2.001 125 3HG2 VAL 16 3HG2 VAL 16 7.023 0.108 -0.619 126 H CYS 17 H CYS 17 3.325 2.575 1.603 127 HA CYS 17 HA CYS 17 2.302 4.560 -0.148 128 1HB CYS 17 1HB CYS 17 1.306 3.507 2.506 129 2HB CYS 17 2HB CYS 17 0.435 4.660 1.514 130 H LYS 18 H LYS 18 3.845 4.411 3.101 131 HA LYS 18 HA LYS 18 3.329 7.119 3.740 132 1HB LYS 18 1HB LYS 18 3.718 5.343 5.413 133 2HB LYS 18 2HB LYS 18 5.376 5.187 4.869 134 1HG LYS 18 1HG LYS 18 5.948 7.403 5.609 135 2HG LYS 18 2HG LYS 18 4.269 7.871 5.775 136 1HD LYS 18 1HD LYS 18 5.213 7.436 7.999 137 2HD LYS 18 2HD LYS 18 3.993 6.229 7.642 138 1HE LYS 18 1HE LYS 18 6.013 5.174 8.619 139 2HE LYS 18 2HE LYS 18 5.746 4.603 6.983 140 1HZ LYS 18 1HZ LYS 18 7.494 6.888 7.506 141 2HZ LYS 18 2HZ LYS 18 8.055 5.357 7.607 142 3HZ LYS 18 3HZ LYS 18 7.458 5.916 6.194 143 H SER 19 H SER 19 5.855 5.378 1.938 144 HA SER 19 HA SER 19 7.654 7.553 1.987 145 1HB SER 19 1HB SER 19 8.445 5.252 1.657 146 2HB SER 19 2HB SER 19 7.477 5.083 0.207 147 HG SER 19 HG SER 19 9.704 5.561 -0.294 148 H ARG 20 H ARG 20 5.229 6.243 -0.374 149 HA ARG 20 HA ARG 20 6.236 8.007 -2.365 150 1HB ARG 20 1HB ARG 20 5.502 5.703 -2.942 151 2HB ARG 20 2HB ARG 20 3.881 6.052 -2.376 152 1HG ARG 20 1HG ARG 20 3.514 7.674 -4.148 153 2HG ARG 20 2HG ARG 20 5.206 7.660 -4.601 154 1HD ARG 20 1HD ARG 20 5.040 5.340 -5.394 155 2HD ARG 20 2HD ARG 20 3.408 5.196 -4.773 156 HE ARG 20 HE ARG 20 3.431 7.423 -6.537 157 1HH1 ARG 20 1HH1 ARG 20 3.906 3.940 -6.704 158 2HH1 ARG 20 2HH1 ARG 20 3.322 3.810 -8.330 159 1HH2 ARG 20 1HH2 ARG 20 2.635 7.248 -8.671 160 2HH2 ARG 20 2HH2 ARG 20 2.591 5.704 -9.455 161 H PHE 21 H PHE 21 3.010 7.441 -0.754 162 HA PHE 21 HA PHE 21 2.055 9.865 -2.047 163 1HB PHE 21 1HB PHE 21 0.730 7.601 -0.436 164 2HB PHE 21 2HB PHE 21 -0.165 8.889 -1.220 165 HD1 PHE 21 HD1 PHE 21 0.486 9.156 -3.830 166 HD2 PHE 21 HD2 PHE 21 0.834 5.593 -1.552 167 HE1 PHE 21 HE1 PHE 21 0.375 7.798 -5.937 168 HE2 PHE 21 HE2 PHE 21 0.722 4.235 -3.658 169 HZ PHE 21 HZ PHE 21 0.494 5.353 -5.827 170 H GLY 22 H GLY 22 3.187 8.696 1.029 171 1HA GLY 22 1HA GLY 22 3.498 9.856 2.957 172 2HA GLY 22 2HA GLY 22 2.670 11.239 2.270 173 H LYS 23 H LYS 23 1.157 8.027 2.159 174 HA LYS 23 HA LYS 23 -0.978 9.068 3.821 175 1HB LYS 23 1HB LYS 23 -0.687 6.716 1.955 176 2HB LYS 23 2HB LYS 23 -2.030 6.818 3.076 177 1HG LYS 23 1HG LYS 23 -2.660 9.042 2.144 178 2HG LYS 23 2HG LYS 23 -1.292 8.985 1.051 179 1HD LYS 23 1HD LYS 23 -2.212 7.105 -0.165 180 2HD LYS 23 2HD LYS 23 -3.422 6.807 1.068 181 1HE LYS 23 1HE LYS 23 -4.528 7.937 -0.773 182 2HE LYS 23 2HE LYS 23 -4.436 9.075 0.557 183 1HZ LYS 23 1HZ LYS 23 -3.747 10.002 -1.578 184 2HZ LYS 23 2HZ LYS 23 -2.559 10.093 -0.461 185 3HZ LYS 23 3HZ LYS 23 -2.487 8.965 -1.640 186 H THR 24 H THR 24 -2.003 7.367 5.410 187 HA THR 24 HA THR 24 0.093 7.218 7.355 188 HB THR 24 HB THR 24 -2.044 6.400 8.709 189 HG1 THR 24 HG1 THR 24 -3.272 5.923 6.764 190 1HG2 THR 24 1HG2 THR 24 -1.160 8.759 8.825 191 2HG2 THR 24 2HG2 THR 24 -2.055 9.139 7.333 192 3HG2 THR 24 3HG2 THR 24 -2.941 8.711 8.818 193 H ASN 25 H ASN 25 -1.775 4.900 5.385 194 HA ASN 25 HA ASN 25 0.010 2.836 6.117 195 1HB ASN 25 1HB ASN 25 -1.716 3.011 8.074 196 2HB ASN 25 2HB ASN 25 -2.904 2.419 6.930 197 1HD2 ASN 25 1HD2 ASN 25 0.195 1.728 8.464 198 2HD2 ASN 25 2HD2 ASN 25 0.120 0.000 8.374 199 H GLY 26 H GLY 26 -0.758 0.699 4.975 200 1HA GLY 26 1HA GLY 26 -2.811 1.149 2.927 201 2HA GLY 26 2HA GLY 26 -1.191 0.724 2.409 202 H ARG 27 H ARG 27 -3.439 -0.929 1.858 203 HA ARG 27 HA ARG 27 -2.664 -3.245 3.399 204 1HB ARG 27 1HB ARG 27 -5.130 -3.925 3.532 205 2HB ARG 27 2HB ARG 27 -4.679 -2.578 4.559 206 1HG ARG 27 1HG ARG 27 -5.549 -0.967 2.890 207 2HG ARG 27 2HG ARG 27 -5.916 -2.274 1.782 208 1HD ARG 27 1HD ARG 27 -7.126 -2.088 4.580 209 2HD ARG 27 2HD ARG 27 -7.899 -1.408 3.160 210 HE ARG 27 HE ARG 27 -7.242 -4.113 2.559 211 1HH1 ARG 27 1HH1 ARG 27 -9.387 -2.305 4.682 212 2HH1 ARG 27 2HH1 ARG 27 -10.571 -3.566 4.771 213 1HH2 ARG 27 1HH2 ARG 27 -8.804 -5.776 2.672 214 2HH2 ARG 27 2HH2 ARG 27 -10.241 -5.551 3.614 215 H CYS 28 H CYS 28 -3.142 -5.309 2.242 216 HA CYS 28 HA CYS 28 -2.728 -4.746 -0.562 217 1HB CYS 28 1HB CYS 28 -1.229 -6.211 0.927 218 2HB CYS 28 2HB CYS 28 -2.478 -7.432 0.781 219 H VAL 29 H VAL 29 -4.725 -4.485 -1.588 220 HA VAL 29 HA VAL 29 -6.850 -6.355 -0.897 221 HB VAL 29 HB VAL 29 -6.776 -3.815 -2.536 222 1HG1 VAL 29 1HG1 VAL 29 -9.074 -5.695 -1.916 223 2HG1 VAL 29 2HG1 VAL 29 -9.293 -4.019 -2.475 224 3HG1 VAL 29 3HG1 VAL 29 -8.462 -5.202 -3.513 225 1HG2 VAL 29 1HG2 VAL 29 -6.530 -3.456 -0.124 226 2HG2 VAL 29 2HG2 VAL 29 -8.112 -2.876 -0.698 227 3HG2 VAL 29 3HG2 VAL 29 -7.995 -4.420 0.180 228 H ASN 30 H ASN 30 -6.758 -8.275 -1.956 229 HA ASN 30 HA ASN 30 -6.651 -9.720 -3.571 230 1HB ASN 30 1HB ASN 30 -7.406 -7.331 -5.337 231 2HB ASN 30 2HB ASN 30 -7.500 -9.004 -5.852 232 1HD2 ASN 30 1HD2 ASN 30 -8.824 -10.475 -4.537 233 2HD2 ASN 30 2HD2 ASN 30 -10.291 -9.893 -3.826 234 H GLY 31 H GLY 31 -4.156 -8.340 -2.870 235 1HA GLY 31 1HA GLY 31 -2.065 -8.952 -3.558 236 2HA GLY 31 2HA GLY 31 -2.689 -9.381 -5.138 237 H PHE 32 H PHE 32 -3.807 -6.283 -4.063 238 HA PHE 32 HA PHE 32 -1.513 -4.921 -5.241 239 1HB PHE 32 1HB PHE 32 -4.497 -4.618 -5.934 240 2HB PHE 32 2HB PHE 32 -3.272 -3.488 -6.475 241 HD1 PHE 32 HD1 PHE 32 -1.252 -4.594 -7.782 242 HD2 PHE 32 HD2 PHE 32 -5.087 -6.357 -7.335 243 HE1 PHE 32 HE1 PHE 32 -0.835 -6.017 -9.808 244 HE2 PHE 32 HE2 PHE 32 -4.670 -7.780 -9.359 245 HZ PHE 32 HZ PHE 32 -2.548 -7.594 -10.571 246 H CYS 33 H CYS 33 -1.206 -2.753 -4.468 247 HA CYS 33 HA CYS 33 -1.971 -2.674 -1.750 248 1HB CYS 33 1HB CYS 33 -0.410 -0.723 -3.452 249 2HB CYS 33 2HB CYS 33 -0.636 -0.559 -1.722 250 H ASP 34 H ASP 34 -3.610 -1.442 -0.773 251 HA ASP 34 HA ASP 34 -4.636 0.744 -2.407 252 1HB ASP 34 1HB ASP 34 -6.387 -0.950 -2.059 253 2HB ASP 34 2HB ASP 34 -6.075 -0.975 -0.335 254 HD2 ASP 34 HD2 ASP 34 -6.615 0.714 0.799 255 H CYS 35 H CYS 35 -4.039 2.719 -1.486 256 HA CYS 35 HA CYS 35 -2.929 2.571 1.192 257 1HB CYS 35 1HB CYS 35 -2.684 4.731 -0.913 258 2HB CYS 35 2HB CYS 35 -1.867 4.717 0.639 259 H PHE 36 H PHE 36 -3.522 4.198 2.819 260 HA PHE 36 HA PHE 36 -5.592 6.065 2.219 261 1HB PHE 36 1HB PHE 36 -7.236 5.031 3.786 262 2HB PHE 36 2HB PHE 36 -6.837 3.879 2.527 263 HD1 PHE 36 HD1 PHE 36 -5.457 1.918 3.026 264 HD2 PHE 36 HD2 PHE 36 -6.547 4.660 6.075 265 HE1 PHE 36 HE1 PHE 36 -4.806 0.235 4.771 266 HE2 PHE 36 HE2 PHE 36 -5.897 2.977 7.821 267 HZ PHE 36 HZ PHE 36 -5.035 0.786 7.148 Start of MODEL 6 1 1H ARG 1 1H ARG 1 -8.164 4.967 -1.101 2 2H ARG 1 2H ARG 1 -7.561 3.449 -0.828 3 3H ARG 1 3H ARG 1 -6.566 4.646 -1.394 4 HA ARG 1 HA ARG 1 -8.830 3.461 -2.731 5 1HB ARG 1 1HB ARG 1 -7.029 5.791 -3.425 6 2HB ARG 1 2HB ARG 1 -7.639 4.801 -4.738 7 1HG ARG 1 1HG ARG 1 -9.981 5.166 -3.913 8 2HG ARG 1 2HG ARG 1 -9.363 6.176 -2.621 9 1HD ARG 1 1HD ARG 1 -8.374 7.737 -4.323 10 2HD ARG 1 2HD ARG 1 -9.016 6.733 -5.608 11 HE ARG 1 HE ARG 1 -11.191 7.538 -5.155 12 1HH1 ARG 1 1HH1 ARG 1 -9.062 8.389 -2.491 13 2HH1 ARG 1 2HH1 ARG 1 -10.096 9.643 -1.893 14 1HH2 ARG 1 1HH2 ARG 1 -12.577 9.173 -4.350 15 2HH2 ARG 1 2HH2 ARG 1 -12.145 10.038 -2.913 16 HA PRO 2 HA PRO 2 -5.898 0.565 -4.155 17 1HB PRO 2 1HB PRO 2 -7.030 -0.298 -6.487 18 2HB PRO 2 2HB PRO 2 -7.541 -0.861 -4.908 19 1HG PRO 2 1HG PRO 2 -8.890 1.043 -6.724 20 2HG PRO 2 2HG PRO 2 -9.560 0.153 -5.370 21 1HD PRO 2 1HD PRO 2 -8.839 2.929 -5.412 22 2HD PRO 2 2HD PRO 2 -9.398 2.013 -4.028 23 H THR 3 H THR 3 -4.047 0.190 -5.387 24 HA THR 3 HA THR 3 -3.698 2.193 -7.515 25 HB THR 3 HB THR 3 -1.436 2.596 -6.693 26 HG1 THR 3 HG1 THR 3 -0.689 1.224 -4.930 27 1HG2 THR 3 1HG2 THR 3 -1.799 3.496 -4.481 28 2HG2 THR 3 2HG2 THR 3 -3.363 3.660 -5.315 29 3HG2 THR 3 3HG2 THR 3 -3.110 2.337 -4.151 30 H ASP 4 H ASP 4 -1.101 1.289 -8.284 31 HA ASP 4 HA ASP 4 -2.073 -1.069 -9.662 32 1HB ASP 4 1HB ASP 4 -0.402 -0.506 -11.384 33 2HB ASP 4 2HB ASP 4 -1.414 0.884 -11.045 34 HD2 ASP 4 HD2 ASP 4 1.323 2.519 -9.372 35 H ILE 5 H ILE 5 -0.164 -0.228 -7.029 36 HA ILE 5 HA ILE 5 2.238 -1.627 -7.699 37 HB ILE 5 HB ILE 5 1.238 -0.370 -5.144 38 1HG1 ILE 5 1HG1 ILE 5 3.358 0.631 -7.059 39 2HG1 ILE 5 2HG1 ILE 5 1.676 1.112 -7.158 40 1HG2 ILE 5 1HG2 ILE 5 3.541 -0.559 -4.328 41 2HG2 ILE 5 2HG2 ILE 5 2.815 -2.157 -4.628 42 3HG2 ILE 5 3HG2 ILE 5 3.984 -1.479 -5.787 43 1HD1 ILE 5 1HD1 ILE 5 2.754 2.798 -5.839 44 2HD1 ILE 5 2HD1 ILE 5 1.853 1.794 -4.678 45 3HD1 ILE 5 3HD1 ILE 5 3.611 1.587 -4.858 46 H LYS 6 H LYS 6 2.589 -3.773 -7.543 47 HA LYS 6 HA LYS 6 0.482 -5.396 -6.475 48 1HB LYS 6 1HB LYS 6 3.116 -6.022 -7.831 49 2HB LYS 6 2HB LYS 6 2.018 -7.259 -7.253 50 1HG LYS 6 1HG LYS 6 0.205 -6.369 -8.693 51 2HG LYS 6 2HG LYS 6 1.238 -5.054 -9.220 52 1HD LYS 6 1HD LYS 6 2.831 -6.692 -10.225 53 2HD LYS 6 2HD LYS 6 1.827 -8.019 -9.673 54 1HE LYS 6 1HE LYS 6 -0.067 -7.182 -11.069 55 2HE LYS 6 2HE LYS 6 0.911 -5.829 -11.600 56 1HZ LYS 6 1HZ LYS 6 2.455 -7.396 -12.563 57 2HZ LYS 6 2HZ LYS 6 1.552 -8.660 -12.061 58 3HZ LYS 6 3HZ LYS 6 0.959 -7.625 -13.177 59 H CYS 7 H CYS 7 0.732 -6.996 -4.779 60 HA CYS 7 HA CYS 7 3.088 -6.879 -3.166 61 1HB CYS 7 1HB CYS 7 1.819 -6.263 -1.082 62 2HB CYS 7 2HB CYS 7 2.175 -4.956 -2.195 63 H SER 8 H SER 8 3.018 -8.642 -1.516 64 HA SER 8 HA SER 8 0.901 -10.544 -2.063 65 1HB SER 8 1HB SER 8 2.325 -12.161 -0.837 66 2HB SER 8 2HB SER 8 3.196 -11.415 -2.162 67 HG SER 8 HG SER 8 4.378 -11.543 -0.071 68 H GLU 9 H GLU 9 1.961 -8.138 0.239 69 HA GLU 9 HA GLU 9 0.134 -9.124 2.225 70 1HB GLU 9 1HB GLU 9 3.134 -9.233 2.511 71 2HB GLU 9 2HB GLU 9 2.176 -8.851 3.928 72 1HG GLU 9 1HG GLU 9 1.656 -11.039 4.190 73 2HG GLU 9 2HG GLU 9 0.889 -11.062 2.615 74 HE2 GLU 9 HE2 GLU 9 3.367 -13.180 1.506 75 H SER 10 H SER 10 0.168 -7.524 4.221 76 HA SER 10 HA SER 10 -0.429 -5.124 2.817 77 1HB SER 10 1HB SER 10 -0.901 -6.031 5.687 78 2HB SER 10 2HB SER 10 -1.414 -4.464 5.094 79 HG SER 10 HG SER 10 -2.229 -7.033 4.025 80 H TYR 11 H TYR 11 1.932 -6.288 5.223 81 HA TYR 11 HA TYR 11 2.745 -3.707 6.087 82 1HB TYR 11 1HB TYR 11 4.470 -5.082 7.221 83 2HB TYR 11 2HB TYR 11 2.960 -5.971 7.284 84 HD1 TYR 11 HD1 TYR 11 2.779 -8.136 6.335 85 HD2 TYR 11 HD2 TYR 11 6.184 -5.708 5.433 86 HE1 TYR 11 HE1 TYR 11 3.913 -10.125 5.231 87 HE2 TYR 11 HE2 TYR 11 7.307 -7.705 4.331 88 HH TYR 11 HH TYR 11 5.570 -10.735 3.896 89 H GLN 12 H GLN 12 3.228 -5.450 3.164 90 HA GLN 12 HA GLN 12 5.769 -4.314 2.599 91 1HB GLN 12 1HB GLN 12 3.674 -5.558 0.763 92 2HB GLN 12 2HB GLN 12 5.301 -5.132 0.273 93 1HG GLN 12 1HG GLN 12 6.263 -6.718 1.893 94 2HG GLN 12 2HG GLN 12 4.678 -7.062 2.556 95 1HE2 GLN 12 1HE2 GLN 12 6.378 -9.016 1.578 96 2HE2 GLN 12 2HE2 GLN 12 5.725 -9.735 0.144 97 H CYS 13 H CYS 13 2.394 -3.311 2.419 98 HA CYS 13 HA CYS 13 2.896 -1.450 0.286 99 1HB CYS 13 1HB CYS 13 0.405 -2.021 1.905 100 2HB CYS 13 2HB CYS 13 0.490 -0.895 0.564 101 H PHE 14 H PHE 14 2.534 -1.546 3.855 102 HA PHE 14 HA PHE 14 1.372 0.937 4.159 103 1HB PHE 14 1HB PHE 14 1.295 -0.282 6.146 104 2HB PHE 14 2HB PHE 14 2.742 -1.180 5.736 105 HD1 PHE 14 HD1 PHE 14 4.430 -0.987 7.277 106 HD2 PHE 14 HD2 PHE 14 1.938 2.376 6.584 107 HE1 PHE 14 HE1 PHE 14 5.728 0.325 8.978 108 HE2 PHE 14 HE2 PHE 14 3.234 3.688 8.286 109 HZ PHE 14 HZ PHE 14 5.114 2.648 9.462 110 HA PRO 15 HA PRO 15 5.783 2.562 4.804 111 1HB PRO 15 1HB PRO 15 7.908 1.074 3.944 112 2HB PRO 15 2HB PRO 15 7.345 1.070 5.603 113 1HG PRO 15 1HG PRO 15 6.990 -0.997 3.520 114 2HG PRO 15 2HG PRO 15 6.821 -1.149 5.257 115 1HD PRO 15 1HD PRO 15 4.699 -0.970 3.334 116 2HD PRO 15 2HD PRO 15 4.533 -1.005 5.079 117 H VAL 16 H VAL 16 5.136 0.745 1.926 118 HA VAL 16 HA VAL 16 6.643 2.421 0.224 119 HB VAL 16 HB VAL 16 4.957 0.100 0.072 120 1HG1 VAL 16 1HG1 VAL 16 3.266 1.526 -0.932 121 2HG1 VAL 16 2HG1 VAL 16 4.464 2.205 -2.061 122 3HG1 VAL 16 3HG1 VAL 16 3.995 0.492 -2.184 123 1HG2 VAL 16 1HG2 VAL 16 6.304 -0.353 -1.930 124 2HG2 VAL 16 2HG2 VAL 16 6.915 1.319 -1.906 125 3HG2 VAL 16 3HG2 VAL 16 7.323 0.202 -0.581 126 H CYS 17 H CYS 17 3.350 2.515 1.598 127 HA CYS 17 HA CYS 17 2.427 4.458 -0.252 128 1HB CYS 17 1HB CYS 17 1.309 3.508 2.391 129 2HB CYS 17 2HB CYS 17 0.494 4.633 1.322 130 H LYS 18 H LYS 18 3.851 4.393 3.050 131 HA LYS 18 HA LYS 18 3.414 7.135 3.576 132 1HB LYS 18 1HB LYS 18 3.729 5.468 5.342 133 2HB LYS 18 2HB LYS 18 5.360 5.150 4.787 134 1HG LYS 18 1HG LYS 18 4.722 8.023 5.331 135 2HG LYS 18 2HG LYS 18 4.745 6.977 6.736 136 1HD LYS 18 1HD LYS 18 7.025 6.430 6.470 137 2HD LYS 18 2HD LYS 18 7.020 6.783 4.754 138 1HE LYS 18 1HE LYS 18 6.511 9.016 6.744 139 2HE LYS 18 2HE LYS 18 8.152 8.482 6.443 140 1HZ LYS 18 1HZ LYS 18 6.297 9.286 4.313 141 2HZ LYS 18 2HZ LYS 18 7.394 10.288 4.992 142 3HZ LYS 18 3HZ LYS 18 7.893 8.978 4.156 143 H SER 19 H SER 19 5.964 5.244 1.941 144 HA SER 19 HA SER 19 7.804 7.372 1.924 145 1HB SER 19 1HB SER 19 8.530 5.036 1.707 146 2HB SER 19 2HB SER 19 7.602 4.841 0.234 147 HG SER 19 HG SER 19 9.855 5.233 -0.217 148 H ARG 20 H ARG 20 5.375 6.059 -0.425 149 HA ARG 20 HA ARG 20 6.484 7.689 -2.475 150 1HB ARG 20 1HB ARG 20 5.703 5.446 -3.059 151 2HB ARG 20 2HB ARG 20 4.116 5.759 -2.385 152 1HG ARG 20 1HG ARG 20 3.987 5.955 -4.819 153 2HG ARG 20 2HG ARG 20 3.744 7.540 -4.114 154 1HD ARG 20 1HD ARG 20 6.136 8.113 -4.542 155 2HD ARG 20 2HD ARG 20 6.409 6.516 -5.212 156 HE ARG 20 HE ARG 20 5.360 7.189 -7.196 157 1HH1 ARG 20 1HH1 ARG 20 4.635 9.506 -4.649 158 2HH1 ARG 20 2HH1 ARG 20 3.810 10.603 -5.706 159 1HH2 ARG 20 1HH2 ARG 20 4.265 8.633 -8.590 160 2HH2 ARG 20 2HH2 ARG 20 3.613 10.111 -7.965 161 H PHE 21 H PHE 21 3.256 7.359 -0.811 162 HA PHE 21 HA PHE 21 2.393 9.740 -2.258 163 1HB PHE 21 1HB PHE 21 0.929 7.613 -0.580 164 2HB PHE 21 2HB PHE 21 0.125 8.864 -1.508 165 HD1 PHE 21 HD1 PHE 21 1.023 8.908 -4.091 166 HD2 PHE 21 HD2 PHE 21 0.924 5.524 -1.531 167 HE1 PHE 21 HE1 PHE 21 0.978 7.394 -6.093 168 HE2 PHE 21 HE2 PHE 21 0.878 4.011 -3.532 169 HZ PHE 21 HZ PHE 21 0.905 4.963 -5.789 170 H GLY 22 H GLY 22 3.358 8.615 0.906 171 1HA GLY 22 1HA GLY 22 3.609 9.823 2.821 172 2HA GLY 22 2HA GLY 22 2.808 11.194 2.081 173 H LYS 23 H LYS 23 1.287 7.999 1.900 174 HA LYS 23 HA LYS 23 -0.898 9.035 3.500 175 1HB LYS 23 1HB LYS 23 -0.562 6.686 1.633 176 2HB LYS 23 2HB LYS 23 -1.951 6.816 2.693 177 1HG LYS 23 1HG LYS 23 -2.508 9.040 1.733 178 2HG LYS 23 2HG LYS 23 -1.083 8.979 0.716 179 1HD LYS 23 1HD LYS 23 -1.952 7.088 -0.543 180 2HD LYS 23 2HD LYS 23 -3.255 6.842 0.603 181 1HE LYS 23 1HE LYS 23 -4.242 7.985 -1.267 182 2HE LYS 23 2HE LYS 23 -4.101 9.187 0.001 183 1HZ LYS 23 1HZ LYS 23 -2.108 9.988 -1.020 184 2HZ LYS 23 2HZ LYS 23 -2.142 8.818 -2.160 185 3HZ LYS 23 3HZ LYS 23 -3.299 9.970 -2.137 186 H THR 24 H THR 24 -1.991 7.202 4.995 187 HA THR 24 HA THR 24 0.113 7.254 6.994 188 HB THR 24 HB THR 24 -1.711 7.477 8.527 189 HG1 THR 24 HG1 THR 24 -3.196 6.339 6.264 190 1HG2 THR 24 1HG2 THR 24 -1.653 9.281 6.539 191 2HG2 THR 24 2HG2 THR 24 -3.186 8.495 6.088 192 3HG2 THR 24 3HG2 THR 24 -3.012 9.251 7.690 193 H ASN 25 H ASN 25 -1.880 4.931 5.211 194 HA ASN 25 HA ASN 25 -0.303 2.829 6.285 195 1HB ASN 25 1HB ASN 25 -2.192 3.211 8.009 196 2HB ASN 25 2HB ASN 25 -3.324 2.718 6.764 197 1HD2 ASN 25 1HD2 ASN 25 -0.593 1.740 8.740 198 2HD2 ASN 25 2HD2 ASN 25 -0.835 0.027 8.653 199 H GLY 26 H GLY 26 -0.978 0.682 5.168 200 1HA GLY 26 1HA GLY 26 -2.644 1.098 2.781 201 2HA GLY 26 2HA GLY 26 -0.984 0.570 2.584 202 H ARG 27 H ARG 27 -3.436 -0.906 1.863 203 HA ARG 27 HA ARG 27 -2.890 -3.242 3.478 204 1HB ARG 27 1HB ARG 27 -5.140 -1.842 4.028 205 2HB ARG 27 2HB ARG 27 -5.755 -2.748 2.660 206 1HG ARG 27 1HG ARG 27 -6.258 -4.182 4.457 207 2HG ARG 27 2HG ARG 27 -4.748 -4.851 3.872 208 1HD ARG 27 1HD ARG 27 -4.572 -4.681 6.288 209 2HD ARG 27 2HD ARG 27 -3.518 -3.459 5.606 210 HE ARG 27 HE ARG 27 -6.213 -2.451 6.118 211 1HH1 ARG 27 1HH1 ARG 27 -3.215 -3.277 7.754 212 2HH1 ARG 27 2HH1 ARG 27 -3.311 -1.961 8.875 213 1HH2 ARG 27 1HH2 ARG 27 -6.376 -0.744 7.637 214 2HH2 ARG 27 2HH2 ARG 27 -5.162 -0.559 8.858 215 H CYS 28 H CYS 28 -2.997 -5.214 2.272 216 HA CYS 28 HA CYS 28 -2.734 -4.695 -0.544 217 1HB CYS 28 1HB CYS 28 -1.143 -6.081 0.910 218 2HB CYS 28 2HB CYS 28 -2.355 -7.344 0.844 219 H VAL 29 H VAL 29 -4.804 -4.464 -1.456 220 HA VAL 29 HA VAL 29 -6.803 -6.470 -0.763 221 HB VAL 29 HB VAL 29 -6.930 -3.889 -2.334 222 1HG1 VAL 29 1HG1 VAL 29 -9.420 -4.221 -2.175 223 2HG1 VAL 29 2HG1 VAL 29 -8.583 -5.361 -3.255 224 3HG1 VAL 29 3HG1 VAL 29 -9.103 -5.886 -1.635 225 1HG2 VAL 29 1HG2 VAL 29 -7.949 -4.620 0.433 226 2HG2 VAL 29 2HG2 VAL 29 -6.592 -3.533 0.055 227 3HG2 VAL 29 3HG2 VAL 29 -8.250 -3.079 -0.406 228 H ASN 30 H ASN 30 -6.606 -8.354 -1.887 229 HA ASN 30 HA ASN 30 -6.699 -9.705 -3.579 230 1HB ASN 30 1HB ASN 30 -7.393 -7.257 -5.285 231 2HB ASN 30 2HB ASN 30 -7.699 -8.924 -5.726 232 1HD2 ASN 30 1HD2 ASN 30 -9.673 -6.983 -5.620 233 2HD2 ASN 30 2HD2 ASN 30 -10.797 -7.331 -4.350 234 H GLY 31 H GLY 31 -4.148 -8.312 -2.935 235 1HA GLY 31 1HA GLY 31 -2.080 -8.903 -3.723 236 2HA GLY 31 2HA GLY 31 -2.764 -9.281 -5.292 237 H PHE 32 H PHE 32 -3.926 -6.251 -4.145 238 HA PHE 32 HA PHE 32 -1.654 -4.822 -5.310 239 1HB PHE 32 1HB PHE 32 -4.665 -4.628 -5.854 240 2HB PHE 32 2HB PHE 32 -3.617 -3.264 -6.189 241 HD1 PHE 32 HD1 PHE 32 -1.805 -3.502 -7.900 242 HD2 PHE 32 HD2 PHE 32 -4.766 -6.487 -7.328 243 HE1 PHE 32 HE1 PHE 32 -1.264 -4.470 -10.151 244 HE2 PHE 32 HE2 PHE 32 -4.225 -7.455 -9.579 245 HZ PHE 32 HZ PHE 32 -2.480 -6.436 -10.964 246 H CYS 33 H CYS 33 -1.265 -2.722 -4.419 247 HA CYS 33 HA CYS 33 -1.950 -2.678 -1.678 248 1HB CYS 33 1HB CYS 33 -0.426 -0.737 -3.424 249 2HB CYS 33 2HB CYS 33 -0.643 -0.522 -1.698 250 H ASP 34 H ASP 34 -3.477 -1.367 -0.605 251 HA ASP 34 HA ASP 34 -4.741 0.664 -2.273 252 1HB ASP 34 1HB ASP 34 -6.253 -1.265 -1.601 253 2HB ASP 34 2HB ASP 34 -5.988 -0.836 0.077 254 HD2 ASP 34 HD2 ASP 34 -8.943 0.847 -1.716 255 H CYS 35 H CYS 35 -4.280 2.740 -1.469 256 HA CYS 35 HA CYS 35 -2.950 2.729 1.135 257 1HB CYS 35 1HB CYS 35 -2.538 4.520 -1.268 258 2HB CYS 35 2HB CYS 35 -1.746 4.732 0.280 259 H PHE 36 H PHE 36 -3.502 4.369 2.667 260 HA PHE 36 HA PHE 36 -5.313 6.450 1.958 261 1HB PHE 36 1HB PHE 36 -7.036 5.502 3.682 262 2HB PHE 36 2HB PHE 36 -6.985 4.699 2.126 263 HD1 PHE 36 HD1 PHE 36 -6.171 2.438 1.920 264 HD2 PHE 36 HD2 PHE 36 -6.097 4.414 5.675 265 HE1 PHE 36 HE1 PHE 36 -5.748 0.245 3.065 266 HE2 PHE 36 HE2 PHE 36 -5.674 2.221 6.820 267 HZ PHE 36 HZ PHE 36 -5.505 0.163 5.502 Start of MODEL 7 1 1H ARG 1 1H ARG 1 -6.436 4.721 -1.355 2 2H ARG 1 2H ARG 1 -5.470 5.785 -2.178 3 3H ARG 1 3H ARG 1 -7.034 6.193 -1.818 4 HA ARG 1 HA ARG 1 -7.934 4.740 -3.228 5 1HB ARG 1 1HB ARG 1 -5.511 6.141 -4.431 6 2HB ARG 1 2HB ARG 1 -6.622 5.245 -5.446 7 1HG ARG 1 1HG ARG 1 -8.524 6.640 -4.522 8 2HG ARG 1 2HG ARG 1 -7.354 7.581 -3.620 9 1HD ARG 1 1HD ARG 1 -7.788 8.807 -5.654 10 2HD ARG 1 2HD ARG 1 -6.188 8.114 -5.830 11 HE ARG 1 HE ARG 1 -8.169 6.288 -6.866 12 1HH1 ARG 1 1HH1 ARG 1 -6.668 9.375 -7.631 13 2HH1 ARG 1 2HH1 ARG 1 -6.747 9.136 -9.344 14 1HH2 ARG 1 1HH2 ARG 1 -8.272 5.967 -9.129 15 2HH2 ARG 1 2HH2 ARG 1 -7.704 7.202 -10.203 16 HA PRO 2 HA PRO 2 -5.673 1.016 -4.207 17 1HB PRO 2 1HB PRO 2 -7.097 0.113 -6.358 18 2HB PRO 2 2HB PRO 2 -7.564 -0.203 -4.698 19 1HG PRO 2 1HG PRO 2 -8.748 1.700 -6.628 20 2HG PRO 2 2HG PRO 2 -9.438 1.066 -5.146 21 1HD PRO 2 1HD PRO 2 -8.313 3.676 -5.537 22 2HD PRO 2 2HD PRO 2 -8.898 3.001 -4.028 23 H THR 3 H THR 3 -4.089 0.138 -5.611 24 HA THR 3 HA THR 3 -3.537 1.916 -7.883 25 HB THR 3 HB THR 3 -1.239 2.145 -7.188 26 HG1 THR 3 HG1 THR 3 -2.058 0.173 -5.170 27 1HG2 THR 3 1HG2 THR 3 -2.867 3.462 -5.705 28 2HG2 THR 3 2HG2 THR 3 -2.786 2.113 -4.548 29 3HG2 THR 3 3HG2 THR 3 -1.321 3.052 -4.922 30 H ASP 4 H ASP 4 -1.149 0.592 -8.683 31 HA ASP 4 HA ASP 4 -2.395 -1.904 -9.525 32 1HB ASP 4 1HB ASP 4 -1.044 -1.711 -11.576 33 2HB ASP 4 2HB ASP 4 -2.004 -0.264 -11.346 34 HD2 ASP 4 HD2 ASP 4 1.041 1.498 -10.358 35 H ILE 5 H ILE 5 -0.286 -0.799 -7.286 36 HA ILE 5 HA ILE 5 2.120 -2.157 -8.003 37 HB ILE 5 HB ILE 5 1.201 -0.803 -5.467 38 1HG1 ILE 5 1HG1 ILE 5 3.250 0.195 -7.447 39 2HG1 ILE 5 2HG1 ILE 5 1.541 0.525 -7.657 40 1HG2 ILE 5 1HG2 ILE 5 3.947 -1.867 -6.190 41 2HG2 ILE 5 2HG2 ILE 5 3.556 -0.865 -4.771 42 3HG2 ILE 5 3HG2 ILE 5 2.863 -2.497 -4.926 43 1HD1 ILE 5 1HD1 ILE 5 3.254 1.277 -5.246 44 2HD1 ILE 5 2HD1 ILE 5 2.530 2.385 -6.437 45 3HD1 ILE 5 3HD1 ILE 5 1.487 1.482 -5.311 46 H LYS 6 H LYS 6 2.422 -4.314 -7.892 47 HA LYS 6 HA LYS 6 0.378 -5.890 -6.679 48 1HB LYS 6 1HB LYS 6 1.523 -6.401 -8.856 49 2HB LYS 6 2HB LYS 6 2.977 -6.782 -7.957 50 1HG LYS 6 1HG LYS 6 1.802 -8.564 -6.718 51 2HG LYS 6 2HG LYS 6 0.280 -8.131 -7.472 52 1HD LYS 6 1HD LYS 6 1.234 -8.702 -9.718 53 2HD LYS 6 2HD LYS 6 2.751 -9.143 -8.959 54 1HE LYS 6 1HE LYS 6 1.575 -10.910 -7.630 55 2HE LYS 6 2HE LYS 6 0.056 -10.468 -8.386 56 1HZ LYS 6 1HZ LYS 6 1.019 -11.038 -10.514 57 2HZ LYS 6 2HZ LYS 6 2.434 -11.450 -9.809 58 3HZ LYS 6 3HZ LYS 6 1.085 -12.315 -9.498 59 H CYS 7 H CYS 7 0.563 -7.336 -4.907 60 HA CYS 7 HA CYS 7 2.984 -7.294 -3.373 61 1HB CYS 7 1HB CYS 7 1.780 -6.478 -1.304 62 2HB CYS 7 2HB CYS 7 2.239 -5.273 -2.490 63 H SER 8 H SER 8 2.893 -8.978 -1.676 64 HA SER 8 HA SER 8 0.670 -10.793 -2.063 65 1HB SER 8 1HB SER 8 2.061 -12.436 -0.867 66 2HB SER 8 2HB SER 8 2.959 -11.727 -2.194 67 HG SER 8 HG SER 8 3.939 -11.916 0.129 68 H GLU 9 H GLU 9 1.915 -8.357 0.130 69 HA GLU 9 HA GLU 9 0.194 -9.253 2.247 70 1HB GLU 9 1HB GLU 9 3.109 -9.772 2.204 71 2HB GLU 9 2HB GLU 9 2.572 -8.954 3.657 72 1HG GLU 9 1HG GLU 9 1.231 -11.468 2.560 73 2HG GLU 9 2HG GLU 9 2.507 -11.506 3.761 74 HE2 GLU 9 HE2 GLU 9 0.385 -12.517 4.411 75 H SER 10 H SER 10 0.484 -7.661 4.243 76 HA SER 10 HA SER 10 -0.184 -5.264 2.890 77 1HB SER 10 1HB SER 10 -0.347 -6.188 5.780 78 2HB SER 10 2HB SER 10 -0.760 -4.545 5.330 79 HG SER 10 HG SER 10 -1.957 -6.918 4.172 80 H TYR 11 H TYR 11 2.445 -6.449 4.990 81 HA TYR 11 HA TYR 11 3.342 -3.891 5.809 82 1HB TYR 11 1HB TYR 11 5.133 -5.264 6.771 83 2HB TYR 11 2HB TYR 11 3.689 -6.253 6.844 84 HD1 TYR 11 HD1 TYR 11 3.549 -8.328 5.675 85 HD2 TYR 11 HD2 TYR 11 6.825 -5.678 4.935 86 HE1 TYR 11 HE1 TYR 11 4.745 -10.157 4.376 87 HE2 TYR 11 HE2 TYR 11 8.009 -7.517 3.638 88 HH TYR 11 HH TYR 11 7.952 -9.561 2.960 89 H GLN 12 H GLN 12 3.567 -5.601 2.815 90 HA GLN 12 HA GLN 12 5.989 -4.393 1.989 91 1HB GLN 12 1HB GLN 12 3.700 -5.626 0.394 92 2HB GLN 12 2HB GLN 12 5.229 -5.128 -0.302 93 1HG GLN 12 1HG GLN 12 6.459 -6.794 0.888 94 2HG GLN 12 2HG GLN 12 5.177 -7.040 2.057 95 1HE2 GLN 12 1HE2 GLN 12 5.946 -9.275 1.203 96 2HE2 GLN 12 2HE2 GLN 12 4.912 -9.990 0.010 97 H CYS 13 H CYS 13 2.537 -3.507 2.041 98 HA CYS 13 HA CYS 13 2.914 -1.524 -0.009 99 1HB CYS 13 1HB CYS 13 0.471 -2.273 1.611 100 2HB CYS 13 2HB CYS 13 0.492 -1.116 0.294 101 H PHE 14 H PHE 14 2.623 -1.809 3.555 102 HA PHE 14 HA PHE 14 1.300 0.577 3.982 103 1HB PHE 14 1HB PHE 14 1.309 -0.757 5.899 104 2HB PHE 14 2HB PHE 14 2.825 -1.516 5.455 105 HD1 PHE 14 HD1 PHE 14 1.705 1.897 6.508 106 HD2 PHE 14 HD2 PHE 14 4.520 -1.244 6.978 107 HE1 PHE 14 HE1 PHE 14 2.889 3.223 8.281 108 HE2 PHE 14 HE2 PHE 14 5.703 0.082 8.751 109 HZ PHE 14 HZ PHE 14 4.874 2.299 9.380 110 HA PRO 15 HA PRO 15 5.604 2.430 4.730 111 1HB PRO 15 1HB PRO 15 7.814 1.139 3.774 112 2HB PRO 15 2HB PRO 15 7.255 0.986 5.427 113 1HG PRO 15 1HG PRO 15 7.025 -0.952 3.206 114 2HG PRO 15 2HG PRO 15 6.868 -1.233 4.929 115 1HD PRO 15 1HD PRO 15 4.736 -1.054 3.018 116 2HD PRO 15 2HD PRO 15 4.576 -1.218 4.756 117 H VAL 16 H VAL 16 5.070 0.776 1.731 118 HA VAL 16 HA VAL 16 6.437 2.669 0.146 119 HB VAL 16 HB VAL 16 4.933 0.252 -0.163 120 1HG1 VAL 16 1HG1 VAL 16 3.095 1.605 -0.999 121 2HG1 VAL 16 2HG1 VAL 16 4.191 2.466 -2.105 122 3HG1 VAL 16 3HG1 VAL 16 3.861 0.735 -2.350 123 1HG2 VAL 16 1HG2 VAL 16 7.256 0.601 -0.874 124 2HG2 VAL 16 2HG2 VAL 16 6.238 0.076 -2.236 125 3HG2 VAL 16 3HG2 VAL 16 6.713 1.785 -2.089 126 H CYS 17 H CYS 17 3.137 2.416 1.504 127 HA CYS 17 HA CYS 17 2.118 4.535 -0.084 128 1HB CYS 17 1HB CYS 17 1.113 3.088 2.362 129 2HB CYS 17 2HB CYS 17 0.260 4.460 1.684 130 H LYS 18 H LYS 18 3.453 4.125 3.251 131 HA LYS 18 HA LYS 18 2.812 6.718 4.113 132 1HB LYS 18 1HB LYS 18 3.253 4.795 5.604 133 2HB LYS 18 2HB LYS 18 4.938 4.803 5.122 134 1HG LYS 18 1HG LYS 18 3.892 7.445 6.031 135 2HG LYS 18 2HG LYS 18 3.920 6.207 7.271 136 1HD LYS 18 1HD LYS 18 6.305 5.822 6.952 137 2HD LYS 18 2HD LYS 18 6.334 6.812 5.507 138 1HE LYS 18 1HE LYS 18 7.235 8.138 7.340 139 2HE LYS 18 2HE LYS 18 5.679 8.813 6.903 140 1HZ LYS 18 1HZ LYS 18 4.687 7.753 8.739 141 2HZ LYS 18 2HZ LYS 18 6.013 6.857 9.065 142 3HZ LYS 18 3HZ LYS 18 6.040 8.472 9.307 143 H SER 19 H SER 19 5.563 5.316 2.322 144 HA SER 19 HA SER 19 7.158 7.631 2.717 145 1HB SER 19 1HB SER 19 8.217 5.442 2.437 146 2HB SER 19 2HB SER 19 7.447 5.216 0.878 147 HG SER 19 HG SER 19 9.440 7.205 1.557 148 H ARG 20 H ARG 20 5.456 6.116 -0.148 149 HA ARG 20 HA ARG 20 6.610 8.176 -1.740 150 1HB ARG 20 1HB ARG 20 6.420 5.704 -2.406 151 2HB ARG 20 2HB ARG 20 4.697 5.954 -2.605 152 1HG ARG 20 1HG ARG 20 6.410 7.960 -3.997 153 2HG ARG 20 2HG ARG 20 6.570 6.322 -4.599 154 1HD ARG 20 1HD ARG 20 4.108 6.173 -4.926 155 2HD ARG 20 2HD ARG 20 3.903 7.778 -4.255 156 HE ARG 20 HE ARG 20 5.789 7.901 -6.419 157 1HH1 ARG 20 1HH1 ARG 20 2.349 7.460 -5.821 158 2HH1 ARG 20 2HH1 ARG 20 1.870 8.095 -7.359 159 1HH2 ARG 20 1HH2 ARG 20 5.156 8.748 -8.446 160 2HH2 ARG 20 2HH2 ARG 20 3.477 8.838 -8.861 161 H PHE 21 H PHE 21 3.318 7.030 -0.770 162 HA PHE 21 HA PHE 21 2.098 9.141 -2.331 163 1HB PHE 21 1HB PHE 21 1.170 6.789 -0.590 164 2HB PHE 21 2HB PHE 21 0.015 7.926 -1.260 165 HD1 PHE 21 HD1 PHE 21 -0.603 7.843 -3.567 166 HD2 PHE 21 HD2 PHE 21 2.493 5.334 -2.107 167 HE1 PHE 21 HE1 PHE 21 -0.673 6.517 -5.696 168 HE2 PHE 21 HE2 PHE 21 2.423 4.008 -4.236 169 HZ PHE 21 HZ PHE 21 0.841 4.615 -6.006 170 H GLY 22 H GLY 22 3.054 8.428 0.986 171 1HA GLY 22 1HA GLY 22 3.294 9.947 2.656 172 2HA GLY 22 2HA GLY 22 2.497 11.163 1.679 173 H LYS 23 H LYS 23 1.042 7.952 2.242 174 HA LYS 23 HA LYS 23 -1.198 9.304 3.499 175 1HB LYS 23 1HB LYS 23 -0.833 6.522 2.358 176 2HB LYS 23 2HB LYS 23 -2.290 7.045 3.177 177 1HG LYS 23 1HG LYS 23 -1.657 9.102 1.291 178 2HG LYS 23 2HG LYS 23 -1.442 7.582 0.445 179 1HD LYS 23 1HD LYS 23 -3.741 8.077 0.125 180 2HD LYS 23 2HD LYS 23 -3.751 6.892 1.417 181 1HE LYS 23 1HE LYS 23 -5.210 8.590 2.209 182 2HE LYS 23 2HE LYS 23 -3.710 8.915 3.055 183 1HZ LYS 23 1HZ LYS 23 -4.724 10.872 2.017 184 2HZ LYS 23 2HZ LYS 23 -3.200 10.606 1.495 185 3HZ LYS 23 3HZ LYS 23 -4.469 10.227 0.539 186 H THR 24 H THR 24 -2.315 7.802 5.295 187 HA THR 24 HA THR 24 -0.413 7.812 7.438 188 HB THR 24 HB THR 24 -2.630 6.952 8.616 189 HG1 THR 24 HG1 THR 24 -3.657 6.328 6.606 190 1HG2 THR 24 1HG2 THR 24 -3.640 9.216 8.534 191 2HG2 THR 24 2HG2 THR 24 -1.873 9.358 8.699 192 3HG2 THR 24 3HG2 THR 24 -2.644 9.625 7.117 193 H ASN 25 H ASN 25 -1.988 5.352 5.387 194 HA ASN 25 HA ASN 25 -0.156 3.416 6.338 195 1HB ASN 25 1HB ASN 25 -2.096 3.509 8.092 196 2HB ASN 25 2HB ASN 25 -3.110 2.822 6.838 197 1HD2 ASN 25 1HD2 ASN 25 -0.160 2.362 8.715 198 2HD2 ASN 25 2HD2 ASN 25 -0.110 0.632 8.652 199 H GLY 26 H GLY 26 -0.672 1.214 5.165 200 1HA GLY 26 1HA GLY 26 -2.690 1.369 3.074 201 2HA GLY 26 2HA GLY 26 -1.029 1.254 2.528 202 H ARG 27 H ARG 27 -3.149 -0.742 2.148 203 HA ARG 27 HA ARG 27 -1.744 -2.930 3.399 204 1HB ARG 27 1HB ARG 27 -4.740 -2.405 3.602 205 2HB ARG 27 2HB ARG 27 -4.101 -4.030 3.750 206 1HG ARG 27 1HG ARG 27 -2.459 -2.947 5.525 207 2HG ARG 27 2HG ARG 27 -3.633 -1.647 5.565 208 1HD ARG 27 1HD ARG 27 -4.269 -3.192 7.309 209 2HD ARG 27 2HD ARG 27 -5.440 -3.394 6.021 210 HE ARG 27 HE ARG 27 -3.284 -5.221 5.569 211 1HH1 ARG 27 1HH1 ARG 27 -5.943 -4.701 7.814 212 2HH1 ARG 27 2HH1 ARG 27 -6.122 -6.381 8.192 213 1HH2 ARG 27 1HH2 ARG 27 -3.513 -7.438 6.074 214 2HH2 ARG 27 2HH2 ARG 27 -4.726 -7.948 7.200 215 H CYS 28 H CYS 28 -2.512 -5.114 2.332 216 HA CYS 28 HA CYS 28 -2.435 -4.540 -0.501 217 1HB CYS 28 1HB CYS 28 -0.801 -6.071 0.700 218 2HB CYS 28 2HB CYS 28 -2.114 -7.222 0.846 219 H VAL 29 H VAL 29 -4.470 -4.284 -1.397 220 HA VAL 29 HA VAL 29 -6.591 -6.050 -0.422 221 HB VAL 29 HB VAL 29 -6.638 -3.476 -2.007 222 1HG1 VAL 29 1HG1 VAL 29 -8.479 -4.802 -2.778 223 2HG1 VAL 29 2HG1 VAL 29 -8.903 -5.287 -1.119 224 3HG1 VAL 29 3HG1 VAL 29 -9.128 -3.600 -1.638 225 1HG2 VAL 29 1HG2 VAL 29 -7.712 -2.546 0.010 226 2HG2 VAL 29 2HG2 VAL 29 -7.498 -4.108 0.837 227 3HG2 VAL 29 3HG2 VAL 29 -6.076 -3.156 0.349 228 H ASN 30 H ASN 30 -6.746 -7.933 -1.538 229 HA ASN 30 HA ASN 30 -7.065 -9.287 -3.199 230 1HB ASN 30 1HB ASN 30 -7.576 -6.798 -4.912 231 2HB ASN 30 2HB ASN 30 -8.085 -8.429 -5.307 232 1HD2 ASN 30 1HD2 ASN 30 -9.831 -6.291 -5.144 233 2HD2 ASN 30 2HD2 ASN 30 -10.920 -6.495 -3.811 234 H GLY 31 H GLY 31 -4.348 -8.176 -2.706 235 1HA GLY 31 1HA GLY 31 -2.403 -9.007 -3.584 236 2HA GLY 31 2HA GLY 31 -3.204 -9.325 -5.111 237 H PHE 32 H PHE 32 -3.995 -6.176 -4.013 238 HA PHE 32 HA PHE 32 -1.655 -4.990 -5.289 239 1HB PHE 32 1HB PHE 32 -4.636 -4.552 -5.899 240 2HB PHE 32 2HB PHE 32 -3.398 -3.441 -6.448 241 HD1 PHE 32 HD1 PHE 32 -1.477 -4.493 -7.876 242 HD2 PHE 32 HD2 PHE 32 -5.252 -6.330 -7.255 243 HE1 PHE 32 HE1 PHE 32 -1.135 -5.890 -9.932 244 HE2 PHE 32 HE2 PHE 32 -4.909 -7.728 -9.313 245 HZ PHE 32 HZ PHE 32 -2.855 -7.491 -10.626 246 H CYS 33 H CYS 33 -1.220 -2.793 -4.611 247 HA CYS 33 HA CYS 33 -1.809 -2.650 -1.849 248 1HB CYS 33 1HB CYS 33 -0.243 -0.826 -3.679 249 2HB CYS 33 2HB CYS 33 -0.377 -0.588 -1.949 250 H ASP 34 H ASP 34 -3.261 -1.269 -0.774 251 HA ASP 34 HA ASP 34 -4.370 0.873 -2.408 252 1HB ASP 34 1HB ASP 34 -6.078 -0.895 -1.972 253 2HB ASP 34 2HB ASP 34 -5.788 -0.758 -0.249 254 HD2 ASP 34 HD2 ASP 34 -7.615 2.250 -0.015 255 H CYS 35 H CYS 35 -4.138 2.914 -1.422 256 HA CYS 35 HA CYS 35 -2.920 2.862 1.227 257 1HB CYS 35 1HB CYS 35 -2.951 5.134 -0.766 258 2HB CYS 35 2HB CYS 35 -2.008 5.029 0.708 259 H PHE 36 H PHE 36 -3.767 4.239 2.912 260 HA PHE 36 HA PHE 36 -5.941 5.997 2.310 261 1HB PHE 36 1HB PHE 36 -7.482 4.773 3.917 262 2HB PHE 36 2HB PHE 36 -7.114 3.809 2.499 263 HD1 PHE 36 HD1 PHE 36 -5.751 1.816 2.669 264 HD2 PHE 36 HD2 PHE 36 -6.541 4.189 6.097 265 HE1 PHE 36 HE1 PHE 36 -4.943 -0.047 4.145 266 HE2 PHE 36 HE2 PHE 36 -5.732 2.327 7.572 267 HZ PHE 36 HZ PHE 36 -4.943 0.231 6.580 Start of MODEL 8 1 1H ARG 1 1H ARG 1 -6.294 4.925 -1.780 2 2H ARG 1 2H ARG 1 -7.574 5.953 -1.995 3 3H ARG 1 3H ARG 1 -7.815 4.461 -1.318 4 HA ARG 1 HA ARG 1 -8.557 4.116 -3.321 5 1HB ARG 1 1HB ARG 1 -6.426 6.100 -4.136 6 2HB ARG 1 2HB ARG 1 -6.992 4.968 -5.347 7 1HG ARG 1 1HG ARG 1 -9.358 5.687 -4.896 8 2HG ARG 1 2HG ARG 1 -8.770 6.844 -3.718 9 1HD ARG 1 1HD ARG 1 -7.436 7.987 -5.507 10 2HD ARG 1 2HD ARG 1 -8.024 6.830 -6.685 11 HE ARG 1 HE ARG 1 -10.140 7.883 -6.667 12 1HH1 ARG 1 1HH1 ARG 1 -8.260 9.016 -3.922 13 2HH1 ARG 1 2HH1 ARG 1 -9.209 10.447 -3.695 14 1HH2 ARG 1 1HH2 ARG 1 -11.420 9.756 -6.350 15 2HH2 ARG 1 2HH2 ARG 1 -11.067 10.827 -5.034 16 HA PRO 2 HA PRO 2 -5.649 0.867 -4.215 17 1HB PRO 2 1HB PRO 2 -6.701 -0.142 -6.527 18 2HB PRO 2 2HB PRO 2 -7.271 -0.600 -4.934 19 1HG PRO 2 1HG PRO 2 -8.544 1.187 -6.916 20 2HG PRO 2 2HG PRO 2 -9.268 0.389 -5.533 21 1HD PRO 2 1HD PRO 2 -8.528 3.154 -5.727 22 2HD PRO 2 2HD PRO 2 -9.143 2.331 -4.308 23 H THR 3 H THR 3 -3.825 0.294 -5.489 24 HA THR 3 HA THR 3 -3.370 2.244 -7.648 25 HB THR 3 HB THR 3 -1.062 2.453 -6.884 26 HG1 THR 3 HG1 THR 3 -0.376 1.016 -5.162 27 1HG2 THR 3 1HG2 THR 3 -1.290 3.372 -4.657 28 2HG2 THR 3 2HG2 THR 3 -2.844 3.687 -5.464 29 3HG2 THR 3 3HG2 THR 3 -2.700 2.343 -4.307 30 H ASP 4 H ASP 4 -0.877 1.118 -8.473 31 HA ASP 4 HA ASP 4 -2.072 -1.162 -9.808 32 1HB ASP 4 1HB ASP 4 -0.406 -0.749 -11.576 33 2HB ASP 4 2HB ASP 4 -1.294 0.720 -11.225 34 HD2 ASP 4 HD2 ASP 4 2.551 0.916 -11.152 35 H ILE 5 H ILE 5 -0.072 -0.484 -7.213 36 HA ILE 5 HA ILE 5 2.210 -2.064 -7.930 37 HB ILE 5 HB ILE 5 1.378 -0.719 -5.357 38 1HG1 ILE 5 1HG1 ILE 5 3.466 0.127 -7.383 39 2HG1 ILE 5 2HG1 ILE 5 1.827 0.744 -7.363 40 1HG2 ILE 5 1HG2 ILE 5 4.043 -1.967 -6.082 41 2HG2 ILE 5 2HG2 ILE 5 3.659 -1.076 -4.590 42 3HG2 ILE 5 3HG2 ILE 5 2.861 -2.631 -4.928 43 1HD1 ILE 5 1HD1 ILE 5 2.229 1.384 -4.897 44 2HD1 ILE 5 2HD1 ILE 5 3.949 1.037 -5.201 45 3HD1 ILE 5 3HD1 ILE 5 3.126 2.325 -6.114 46 H LYS 6 H LYS 6 2.057 -4.240 -8.055 47 HA LYS 6 HA LYS 6 0.081 -5.674 -6.613 48 1HB LYS 6 1HB LYS 6 0.944 -7.591 -7.697 49 2HB LYS 6 2HB LYS 6 1.052 -6.284 -8.859 50 1HG LYS 6 1HG LYS 6 3.475 -5.937 -8.119 51 2HG LYS 6 2HG LYS 6 3.328 -7.390 -7.151 52 1HD LYS 6 1HD LYS 6 2.732 -8.692 -9.213 53 2HD LYS 6 2HD LYS 6 2.909 -7.238 -10.174 54 1HE LYS 6 1HE LYS 6 5.305 -7.059 -9.463 55 2HE LYS 6 2HE LYS 6 5.128 -8.515 -8.503 56 1HZ LYS 6 1HZ LYS 6 6.042 -8.991 -10.657 57 2HZ LYS 6 2HZ LYS 6 4.579 -9.705 -10.518 58 3HZ LYS 6 3HZ LYS 6 4.745 -8.349 -11.413 59 H CYS 7 H CYS 7 0.510 -7.374 -4.988 60 HA CYS 7 HA CYS 7 2.958 -7.225 -3.543 61 1HB CYS 7 1HB CYS 7 1.828 -6.481 -1.402 62 2HB CYS 7 2HB CYS 7 2.205 -5.243 -2.583 63 H SER 8 H SER 8 2.986 -8.917 -1.846 64 HA SER 8 HA SER 8 0.818 -10.811 -2.209 65 1HB SER 8 1HB SER 8 2.348 -12.471 -1.225 66 2HB SER 8 2HB SER 8 3.116 -11.655 -2.573 67 HG SER 8 HG SER 8 4.360 -11.936 -0.451 68 H GLU 9 H GLU 9 2.036 -8.393 -0.045 69 HA GLU 9 HA GLU 9 0.497 -9.417 2.145 70 1HB GLU 9 1HB GLU 9 3.335 -9.963 1.930 71 2HB GLU 9 2HB GLU 9 3.070 -8.883 3.285 72 1HG GLU 9 1HG GLU 9 1.289 -11.312 2.922 73 2HG GLU 9 2HG GLU 9 2.877 -11.496 3.640 74 HE2 GLU 9 HE2 GLU 9 0.162 -9.292 5.644 75 H SER 10 H SER 10 0.670 -7.812 4.099 76 HA SER 10 HA SER 10 -0.060 -5.423 2.737 77 1HB SER 10 1HB SER 10 -0.319 -6.334 5.632 78 2HB SER 10 2HB SER 10 -0.885 -4.771 5.080 79 HG SER 10 HG SER 10 -2.475 -6.638 5.111 80 H TYR 11 H TYR 11 2.506 -6.564 4.923 81 HA TYR 11 HA TYR 11 3.333 -3.993 5.787 82 1HB TYR 11 1HB TYR 11 5.105 -5.335 6.797 83 2HB TYR 11 2HB TYR 11 3.701 -6.384 6.784 84 HD1 TYR 11 HD1 TYR 11 6.881 -5.628 5.012 85 HD2 TYR 11 HD2 TYR 11 3.702 -8.436 5.572 86 HE1 TYR 11 HE1 TYR 11 8.193 -7.382 3.722 87 HE2 TYR 11 HE2 TYR 11 5.025 -10.181 4.281 88 HH TYR 11 HH TYR 11 8.241 -9.402 2.976 89 H GLN 12 H GLN 12 3.627 -5.664 2.780 90 HA GLN 12 HA GLN 12 6.025 -4.390 1.988 91 1HB GLN 12 1HB GLN 12 3.760 -5.612 0.351 92 2HB GLN 12 2HB GLN 12 5.290 -5.084 -0.319 93 1HG GLN 12 1HG GLN 12 6.526 -6.760 0.864 94 2HG GLN 12 2HG GLN 12 5.214 -7.064 1.985 95 1HE2 GLN 12 1HE2 GLN 12 6.073 -9.251 1.056 96 2HE2 GLN 12 2HE2 GLN 12 5.086 -9.942 -0.189 97 H CYS 13 H CYS 13 2.556 -3.562 2.052 98 HA CYS 13 HA CYS 13 2.903 -1.556 0.019 99 1HB CYS 13 1HB CYS 13 0.474 -2.403 1.610 100 2HB CYS 13 2HB CYS 13 0.463 -1.197 0.340 101 H PHE 14 H PHE 14 2.575 -1.873 3.579 102 HA PHE 14 HA PHE 14 1.229 0.511 3.995 103 1HB PHE 14 1HB PHE 14 1.183 -0.861 5.889 104 2HB PHE 14 2HB PHE 14 2.721 -1.597 5.488 105 HD1 PHE 14 HD1 PHE 14 1.521 1.786 6.548 106 HD2 PHE 14 HD2 PHE 14 4.366 -1.320 7.064 107 HE1 PHE 14 HE1 PHE 14 2.627 3.103 8.376 108 HE2 PHE 14 HE2 PHE 14 5.472 -0.003 8.892 109 HZ PHE 14 HZ PHE 14 4.590 2.193 9.526 110 HA PRO 15 HA PRO 15 5.529 2.350 4.817 111 1HB PRO 15 1HB PRO 15 7.743 1.049 3.884 112 2HB PRO 15 2HB PRO 15 7.170 0.904 5.534 113 1HG PRO 15 1HG PRO 15 6.953 -1.042 3.319 114 2HG PRO 15 2HG PRO 15 6.782 -1.315 5.042 115 1HD PRO 15 1HD PRO 15 4.665 -1.139 3.114 116 2HD PRO 15 2HD PRO 15 4.491 -1.296 4.851 117 H VAL 16 H VAL 16 5.008 0.686 1.823 118 HA VAL 16 HA VAL 16 6.418 2.550 0.241 119 HB VAL 16 HB VAL 16 4.884 0.150 -0.068 120 1HG1 VAL 16 1HG1 VAL 16 3.080 1.526 -0.943 121 2HG1 VAL 16 2HG1 VAL 16 4.206 2.356 -2.043 122 3HG1 VAL 16 3HG1 VAL 16 3.850 0.627 -2.273 123 1HG2 VAL 16 1HG2 VAL 16 6.218 -0.064 -2.120 124 2HG2 VAL 16 2HG2 VAL 16 6.717 1.640 -1.980 125 3HG2 VAL 16 3HG2 VAL 16 7.223 0.459 -0.747 126 H CYS 17 H CYS 17 3.106 2.359 1.570 127 HA CYS 17 HA CYS 17 2.112 4.455 -0.053 128 1HB CYS 17 1HB CYS 17 1.105 3.125 2.461 129 2HB CYS 17 2HB CYS 17 0.259 4.459 1.703 130 H LYS 18 H LYS 18 3.528 4.121 3.251 131 HA LYS 18 HA LYS 18 2.933 6.770 4.026 132 1HB LYS 18 1HB LYS 18 3.273 4.881 5.593 133 2HB LYS 18 2HB LYS 18 4.966 4.818 5.146 134 1HG LYS 18 1HG LYS 18 5.494 6.766 6.289 135 2HG LYS 18 2HG LYS 18 3.940 7.509 5.967 136 1HD LYS 18 1HD LYS 18 4.182 5.129 7.846 137 2HD LYS 18 2HD LYS 18 4.463 6.762 8.415 138 1HE LYS 18 1HE LYS 18 2.178 7.421 7.568 139 2HE LYS 18 2HE LYS 18 1.901 5.759 7.087 140 1HZ LYS 18 1HZ LYS 18 0.988 6.052 9.213 141 2HZ LYS 18 2HZ LYS 18 2.340 5.163 9.438 142 3HZ LYS 18 3HZ LYS 18 2.336 6.752 9.812 143 H SER 19 H SER 19 5.580 5.204 2.246 144 HA SER 19 HA SER 19 7.320 7.420 2.594 145 1HB SER 19 1HB SER 19 8.247 5.178 2.300 146 2HB SER 19 2HB SER 19 7.417 4.982 0.769 147 HG SER 19 HG SER 19 8.798 6.423 -0.226 148 H ARG 20 H ARG 20 5.511 5.992 -0.259 149 HA ARG 20 HA ARG 20 6.777 8.012 -1.828 150 1HB ARG 20 1HB ARG 20 6.412 5.460 -2.399 151 2HB ARG 20 2HB ARG 20 4.798 5.949 -2.873 152 1HG ARG 20 1HG ARG 20 6.656 7.825 -4.036 153 2HG ARG 20 2HG ARG 20 7.255 6.212 -4.363 154 1HD ARG 20 1HD ARG 20 5.789 6.641 -6.184 155 2HD ARG 20 2HD ARG 20 4.829 5.638 -5.114 156 HE ARG 20 HE ARG 20 4.436 8.398 -4.417 157 1HH1 ARG 20 1HH1 ARG 20 3.698 6.159 -7.028 158 2HH1 ARG 20 2HH1 ARG 20 2.202 6.929 -7.437 159 1HH2 ARG 20 1HH2 ARG 20 2.450 9.403 -4.941 160 2HH2 ARG 20 2HH2 ARG 20 1.497 8.798 -6.256 161 H PHE 21 H PHE 21 3.505 7.081 -0.697 162 HA PHE 21 HA PHE 21 2.328 9.181 -2.340 163 1HB PHE 21 1HB PHE 21 1.272 6.878 -0.598 164 2HB PHE 21 2HB PHE 21 0.200 8.015 -1.391 165 HD1 PHE 21 HD1 PHE 21 2.703 5.366 -1.987 166 HD2 PHE 21 HD2 PHE 21 -0.320 7.804 -3.699 167 HE1 PHE 21 HE1 PHE 21 2.733 3.950 -4.059 168 HE2 PHE 21 HE2 PHE 21 -0.289 6.387 -5.771 169 HZ PHE 21 HZ PHE 21 1.238 4.476 -5.926 170 H GLY 22 H GLY 22 3.140 8.314 1.000 171 1HA GLY 22 1HA GLY 22 3.409 9.776 2.724 172 2HA GLY 22 2HA GLY 22 2.686 11.056 1.769 173 H LYS 23 H LYS 23 1.100 7.883 2.166 174 HA LYS 23 HA LYS 23 -1.142 9.288 3.361 175 1HB LYS 23 1HB LYS 23 -0.847 6.531 2.137 176 2HB LYS 23 2HB LYS 23 -2.323 7.109 2.885 177 1HG LYS 23 1HG LYS 23 -1.464 9.183 1.109 178 2HG LYS 23 2HG LYS 23 -1.282 7.679 0.227 179 1HD LYS 23 1HD LYS 23 -3.527 8.323 -0.209 180 2HD LYS 23 2HD LYS 23 -3.679 7.092 1.028 181 1HE LYS 23 1HE LYS 23 -5.098 8.867 1.766 182 2HE LYS 23 2HE LYS 23 -3.663 9.008 2.761 183 1HZ LYS 23 1HZ LYS 23 -4.463 11.096 1.723 184 2HZ LYS 23 2HZ LYS 23 -2.890 10.764 1.436 185 3HZ LYS 23 3HZ LYS 23 -4.002 10.515 0.267 186 H THR 24 H THR 24 -2.409 7.840 5.072 187 HA THR 24 HA THR 24 -0.559 7.901 7.268 188 HB THR 24 HB THR 24 -2.854 7.347 8.458 189 HG1 THR 24 HG1 THR 24 -3.838 6.583 6.446 190 1HG2 THR 24 1HG2 THR 24 -3.695 9.655 8.121 191 2HG2 THR 24 2HG2 THR 24 -1.925 9.689 8.305 192 3HG2 THR 24 3HG2 THR 24 -2.656 9.841 6.689 193 H ASN 25 H ASN 25 -2.135 5.429 5.279 194 HA ASN 25 HA ASN 25 -0.510 3.460 6.497 195 1HB ASN 25 1HB ASN 25 -2.526 3.668 8.086 196 2HB ASN 25 2HB ASN 25 -3.541 3.126 6.764 197 1HD2 ASN 25 1HD2 ASN 25 -4.087 1.384 8.198 198 2HD2 ASN 25 2HD2 ASN 25 -3.096 -0.036 8.264 199 H GLY 26 H GLY 26 -0.868 1.289 5.320 200 1HA GLY 26 1HA GLY 26 -2.565 1.490 2.927 201 2HA GLY 26 2HA GLY 26 -0.862 1.120 2.737 202 H ARG 27 H ARG 27 -2.877 -0.688 1.900 203 HA ARG 27 HA ARG 27 -2.163 -2.912 3.536 204 1HB ARG 27 1HB ARG 27 -4.487 -1.731 4.288 205 2HB ARG 27 2HB ARG 27 -5.121 -2.707 2.978 206 1HG ARG 27 1HG ARG 27 -5.312 -4.206 4.760 207 2HG ARG 27 2HG ARG 27 -3.745 -4.665 4.123 208 1HD ARG 27 1HD ARG 27 -2.624 -3.193 5.808 209 2HD ARG 27 2HD ARG 27 -4.188 -2.715 6.438 210 HE ARG 27 HE ARG 27 -2.810 -5.229 6.951 211 1HH1 ARG 27 1HH1 ARG 27 -5.962 -3.670 6.827 212 2HH1 ARG 27 2HH1 ARG 27 -6.733 -4.862 7.819 213 1HH2 ARG 27 1HH2 ARG 27 -3.831 -6.812 8.246 214 2HH2 ARG 27 2HH2 ARG 27 -5.508 -6.652 8.646 215 H CYS 28 H CYS 28 -2.384 -4.941 2.369 216 HA CYS 28 HA CYS 28 -2.412 -4.503 -0.468 217 1HB CYS 28 1HB CYS 28 -0.712 -5.904 0.757 218 2HB CYS 28 2HB CYS 28 -1.972 -7.093 1.022 219 H VAL 29 H VAL 29 -4.522 -4.241 -1.240 220 HA VAL 29 HA VAL 29 -6.568 -6.035 -0.196 221 HB VAL 29 HB VAL 29 -6.671 -3.550 -1.914 222 1HG1 VAL 29 1HG1 VAL 29 -8.901 -5.352 -0.925 223 2HG1 VAL 29 2HG1 VAL 29 -9.158 -3.690 -1.509 224 3HG1 VAL 29 3HG1 VAL 29 -8.501 -4.928 -2.607 225 1HG2 VAL 29 1HG2 VAL 29 -6.093 -3.108 0.419 226 2HG2 VAL 29 2HG2 VAL 29 -7.741 -2.535 0.063 227 3HG2 VAL 29 3HG2 VAL 29 -7.501 -4.051 0.964 228 H ASN 30 H ASN 30 -6.651 -7.992 -1.190 229 HA ASN 30 HA ASN 30 -6.825 -9.484 -2.756 230 1HB ASN 30 1HB ASN 30 -7.789 -7.123 -4.455 231 2HB ASN 30 2HB ASN 30 -7.989 -8.804 -4.908 232 1HD2 ASN 30 1HD2 ASN 30 -9.128 -10.217 -3.374 233 2HD2 ASN 30 2HD2 ASN 30 -10.461 -9.587 -2.468 234 H GLY 31 H GLY 31 -4.210 -8.204 -2.486 235 1HA GLY 31 1HA GLY 31 -2.310 -9.032 -3.469 236 2HA GLY 31 2HA GLY 31 -3.195 -9.370 -4.944 237 H PHE 32 H PHE 32 -3.983 -6.229 -3.849 238 HA PHE 32 HA PHE 32 -1.700 -5.013 -5.198 239 1HB PHE 32 1HB PHE 32 -4.693 -4.811 -5.806 240 2HB PHE 32 2HB PHE 32 -3.641 -3.465 -6.200 241 HD1 PHE 32 HD1 PHE 32 -4.803 -6.714 -7.202 242 HD2 PHE 32 HD2 PHE 32 -1.742 -3.841 -7.819 243 HE1 PHE 32 HE1 PHE 32 -4.207 -7.815 -9.377 244 HE2 PHE 32 HE2 PHE 32 -1.146 -4.941 -9.995 245 HZ PHE 32 HZ PHE 32 -2.386 -6.916 -10.747 246 H CYS 33 H CYS 33 -1.282 -2.809 -4.539 247 HA CYS 33 HA CYS 33 -1.832 -2.643 -1.769 248 1HB CYS 33 1HB CYS 33 -0.323 -0.800 -3.632 249 2HB CYS 33 2HB CYS 33 -0.416 -0.584 -1.895 250 H ASP 34 H ASP 34 -3.149 -1.114 -0.663 251 HA ASP 34 HA ASP 34 -4.446 0.852 -2.371 252 1HB ASP 34 1HB ASP 34 -6.007 -1.042 -1.728 253 2HB ASP 34 2HB ASP 34 -5.751 -0.636 -0.043 254 HD2 ASP 34 HD2 ASP 34 -7.769 2.249 -0.263 255 H CYS 35 H CYS 35 -4.227 2.948 -1.506 256 HA CYS 35 HA CYS 35 -2.938 3.034 1.120 257 1HB CYS 35 1HB CYS 35 -2.743 5.029 -1.146 258 2HB CYS 35 2HB CYS 35 -1.893 5.108 0.384 259 H PHE 36 H PHE 36 -3.771 4.472 2.701 260 HA PHE 36 HA PHE 36 -5.809 6.350 1.989 261 1HB PHE 36 1HB PHE 36 -7.454 5.173 3.597 262 2HB PHE 36 2HB PHE 36 -7.183 4.321 2.090 263 HD1 PHE 36 HD1 PHE 36 -5.850 2.262 2.048 264 HD2 PHE 36 HD2 PHE 36 -6.674 4.269 5.695 265 HE1 PHE 36 HE1 PHE 36 -5.178 0.210 3.329 266 HE2 PHE 36 HE2 PHE 36 -6.003 2.217 6.976 267 HZ PHE 36 HZ PHE 36 -5.263 0.212 5.778 Start of MODEL 9 1 1H ARG 1 1H ARG 1 -6.346 5.007 -1.464 2 2H ARG 1 2H ARG 1 -7.530 6.142 -1.696 3 3H ARG 1 3H ARG 1 -7.939 4.592 -1.277 4 HA ARG 1 HA ARG 1 -8.420 4.662 -3.410 5 1HB ARG 1 1HB ARG 1 -6.755 5.579 -5.132 6 2HB ARG 1 2HB ARG 1 -7.459 6.780 -4.066 7 1HG ARG 1 1HG ARG 1 -5.472 6.994 -2.774 8 2HG ARG 1 2HG ARG 1 -4.843 5.447 -3.305 9 1HD ARG 1 1HD ARG 1 -5.221 7.850 -5.157 10 2HD ARG 1 2HD ARG 1 -3.706 7.455 -4.371 11 HE ARG 1 HE ARG 1 -4.499 5.090 -5.663 12 1HH1 ARG 1 1HH1 ARG 1 -3.486 8.342 -6.529 13 2HH1 ARG 1 2HH1 ARG 1 -3.085 7.924 -8.161 14 1HH2 ARG 1 1HH2 ARG 1 -4.021 4.544 -7.838 15 2HH2 ARG 1 2HH2 ARG 1 -3.317 5.730 -8.885 16 HA PRO 2 HA PRO 2 -5.859 1.125 -4.276 17 1HB PRO 2 1HB PRO 2 -6.723 0.500 -6.791 18 2HB PRO 2 2HB PRO 2 -7.545 -0.028 -5.337 19 1HG PRO 2 1HG PRO 2 -8.322 2.100 -7.235 20 2HG PRO 2 2HG PRO 2 -9.310 1.278 -6.043 21 1HD PRO 2 1HD PRO 2 -8.215 3.921 -5.836 22 2HD PRO 2 2HD PRO 2 -9.105 3.055 -4.599 23 H THR 3 H THR 3 -4.061 0.346 -5.591 24 HA THR 3 HA THR 3 -3.171 2.406 -7.487 25 HB THR 3 HB THR 3 -0.942 2.321 -6.578 26 HG1 THR 3 HG1 THR 3 -2.080 0.110 -5.015 27 1HG2 THR 3 1HG2 THR 3 -1.168 2.825 -4.195 28 2HG2 THR 3 2HG2 THR 3 -2.591 3.509 -5.018 29 3HG2 THR 3 3HG2 THR 3 -2.732 1.979 -4.119 30 H ASP 4 H ASP 4 -0.815 1.005 -8.284 31 HA ASP 4 HA ASP 4 -2.023 -1.432 -9.335 32 1HB ASP 4 1HB ASP 4 -0.760 -1.073 -11.420 33 2HB ASP 4 2HB ASP 4 -1.792 0.305 -11.095 34 HD2 ASP 4 HD2 ASP 4 1.327 -0.863 -11.038 35 H ILE 5 H ILE 5 -0.155 -0.643 -6.956 36 HA ILE 5 HA ILE 5 2.304 -1.976 -7.703 37 HB ILE 5 HB ILE 5 1.349 -0.733 -5.121 38 1HG1 ILE 5 1HG1 ILE 5 3.399 0.253 -7.126 39 2HG1 ILE 5 2HG1 ILE 5 1.744 0.822 -7.040 40 1HG2 ILE 5 1HG2 ILE 5 4.099 -1.808 -5.807 41 2HG2 ILE 5 2HG2 ILE 5 3.614 -1.000 -4.297 42 3HG2 ILE 5 3HG2 ILE 5 2.926 -2.587 -4.718 43 1HD1 ILE 5 1HD1 ILE 5 3.013 2.393 -5.762 44 2HD1 ILE 5 2HD1 ILE 5 2.206 1.365 -4.554 45 3HD1 ILE 5 3HD1 ILE 5 3.924 1.106 -4.938 46 H LYS 6 H LYS 6 2.404 -4.151 -7.764 47 HA LYS 6 HA LYS 6 0.350 -5.694 -6.514 48 1HB LYS 6 1HB LYS 6 1.477 -6.147 -8.756 49 2HB LYS 6 2HB LYS 6 2.871 -6.703 -7.851 50 1HG LYS 6 1HG LYS 6 1.456 -8.385 -6.674 51 2HG LYS 6 2HG LYS 6 0.042 -7.814 -7.538 52 1HD LYS 6 1HD LYS 6 1.273 -8.373 -9.720 53 2HD LYS 6 2HD LYS 6 2.509 -9.143 -8.746 54 1HE LYS 6 1HE LYS 6 -0.454 -9.895 -8.719 55 2HE LYS 6 2HE LYS 6 0.792 -10.771 -9.585 56 1HZ LYS 6 1HZ LYS 6 0.521 -11.836 -7.547 57 2HZ LYS 6 2HZ LYS 6 1.911 -10.997 -7.378 58 3HZ LYS 6 3HZ LYS 6 0.537 -10.450 -6.684 59 H CYS 7 H CYS 7 0.570 -7.191 -4.784 60 HA CYS 7 HA CYS 7 3.040 -7.135 -3.302 61 1HB CYS 7 1HB CYS 7 1.802 -6.468 -1.191 62 2HB CYS 7 2HB CYS 7 2.212 -5.196 -2.323 63 H SER 8 H SER 8 3.075 -8.895 -1.700 64 HA SER 8 HA SER 8 0.951 -10.813 -2.137 65 1HB SER 8 1HB SER 8 2.491 -12.386 -0.911 66 2HB SER 8 2HB SER 8 3.181 -11.721 -2.379 67 HG SER 8 HG SER 8 4.244 -11.642 0.059 68 H GLU 9 H GLU 9 2.157 -8.459 0.162 69 HA GLU 9 HA GLU 9 0.287 -9.374 2.140 70 1HB GLU 9 1HB GLU 9 3.271 -9.627 2.427 71 2HB GLU 9 2HB GLU 9 2.360 -9.134 3.841 72 1HG GLU 9 1HG GLU 9 2.110 -11.396 4.149 73 2HG GLU 9 2HG GLU 9 0.788 -11.206 3.014 74 HE2 GLU 9 HE2 GLU 9 1.044 -13.141 2.266 75 H SER 10 H SER 10 0.472 -7.766 4.175 76 HA SER 10 HA SER 10 -0.182 -5.393 2.750 77 1HB SER 10 1HB SER 10 -0.517 -6.179 5.677 78 2HB SER 10 2HB SER 10 -1.128 -4.685 4.995 79 HG SER 10 HG SER 10 -2.662 -6.570 5.111 80 H TYR 11 H TYR 11 2.318 -6.536 4.999 81 HA TYR 11 HA TYR 11 3.131 -3.978 5.902 82 1HB TYR 11 1HB TYR 11 4.913 -5.335 6.901 83 2HB TYR 11 2HB TYR 11 3.487 -6.354 6.902 84 HD1 TYR 11 HD1 TYR 11 3.445 -8.417 5.713 85 HD2 TYR 11 HD2 TYR 11 6.665 -5.668 5.093 86 HE1 TYR 11 HE1 TYR 11 4.724 -10.195 4.423 87 HE2 TYR 11 HE2 TYR 11 7.933 -7.455 3.805 88 HH TYR 11 HH TYR 11 7.961 -9.501 3.123 89 H GLN 12 H GLN 12 3.499 -5.627 2.888 90 HA GLN 12 HA GLN 12 5.933 -4.363 2.184 91 1HB GLN 12 1HB GLN 12 3.751 -5.622 0.465 92 2HB GLN 12 2HB GLN 12 5.312 -5.104 -0.139 93 1HG GLN 12 1HG GLN 12 6.488 -6.732 1.216 94 2HG GLN 12 2HG GLN 12 5.056 -7.085 2.161 95 1HE2 GLN 12 1HE2 GLN 12 6.306 -9.162 1.142 96 2HE2 GLN 12 2HE2 GLN 12 5.458 -9.871 -0.192 97 H CYS 13 H CYS 13 2.503 -3.496 2.222 98 HA CYS 13 HA CYS 13 2.830 -1.557 0.124 99 1HB CYS 13 1HB CYS 13 0.434 -2.303 1.813 100 2HB CYS 13 2HB CYS 13 0.409 -1.133 0.508 101 H PHE 14 H PHE 14 2.613 -1.763 3.700 102 HA PHE 14 HA PHE 14 1.325 0.653 4.094 103 1HB PHE 14 1HB PHE 14 1.334 -0.652 6.033 104 2HB PHE 14 2HB PHE 14 2.840 -1.434 5.591 105 HD1 PHE 14 HD1 PHE 14 1.753 2.005 6.594 106 HD2 PHE 14 HD2 PHE 14 4.554 -1.144 7.088 107 HE1 PHE 14 HE1 PHE 14 2.963 3.353 8.331 108 HE2 PHE 14 HE2 PHE 14 5.764 0.204 8.824 109 HZ PHE 14 HZ PHE 14 4.953 2.437 9.426 110 HA PRO 15 HA PRO 15 5.675 2.451 4.705 111 1HB PRO 15 1HB PRO 15 7.839 1.091 3.738 112 2HB PRO 15 2HB PRO 15 7.320 1.002 5.410 113 1HG PRO 15 1HG PRO 15 7.001 -1.004 3.262 114 2HG PRO 15 2HG PRO 15 6.885 -1.224 4.996 115 1HD PRO 15 1HD PRO 15 4.706 -1.072 3.135 116 2HD PRO 15 2HD PRO 15 4.589 -1.176 4.880 117 H VAL 16 H VAL 16 5.033 0.709 1.780 118 HA VAL 16 HA VAL 16 6.413 2.512 0.102 119 HB VAL 16 HB VAL 16 4.854 0.116 -0.091 120 1HG1 VAL 16 1HG1 VAL 16 4.133 2.267 -2.110 121 2HG1 VAL 16 2HG1 VAL 16 3.755 0.536 -2.275 122 3HG1 VAL 16 3HG1 VAL 16 3.035 1.483 -0.950 123 1HG2 VAL 16 1HG2 VAL 16 6.637 1.536 -2.099 124 2HG2 VAL 16 2HG2 VAL 16 7.173 0.387 -0.849 125 3HG2 VAL 16 3HG2 VAL 16 6.123 -0.167 -2.176 126 H CYS 17 H CYS 17 3.146 2.392 1.543 127 HA CYS 17 HA CYS 17 2.127 4.442 -0.135 128 1HB CYS 17 1HB CYS 17 1.130 3.189 2.425 129 2HB CYS 17 2HB CYS 17 0.272 4.474 1.599 130 H LYS 18 H LYS 18 3.593 4.170 3.148 131 HA LYS 18 HA LYS 18 3.041 6.830 3.899 132 1HB LYS 18 1HB LYS 18 3.474 4.956 5.470 133 2HB LYS 18 2HB LYS 18 5.146 4.916 4.951 134 1HG LYS 18 1HG LYS 18 5.502 7.223 5.734 135 2HG LYS 18 2HG LYS 18 3.800 7.401 6.109 136 1HD LYS 18 1HD LYS 18 3.974 5.593 7.818 137 2HD LYS 18 2HD LYS 18 5.668 5.372 7.426 138 1HE LYS 18 1HE LYS 18 6.139 7.731 8.114 139 2HE LYS 18 2HE LYS 18 4.445 7.962 8.495 140 1HZ LYS 18 1HZ LYS 18 4.629 6.209 10.126 141 2HZ LYS 18 2HZ LYS 18 6.208 5.985 9.768 142 3HZ LYS 18 3HZ LYS 18 5.714 7.390 10.437 143 H SER 19 H SER 19 5.633 5.235 2.050 144 HA SER 19 HA SER 19 7.362 7.471 2.255 145 1HB SER 19 1HB SER 19 8.282 5.226 1.949 146 2HB SER 19 2HB SER 19 7.380 5.006 0.462 147 HG SER 19 HG SER 19 9.601 5.591 0.049 148 H ARG 20 H ARG 20 5.293 6.022 -0.386 149 HA ARG 20 HA ARG 20 6.431 7.943 -2.159 150 1HB ARG 20 1HB ARG 20 5.989 5.458 -2.695 151 2HB ARG 20 2HB ARG 20 4.285 5.857 -2.777 152 1HG ARG 20 1HG ARG 20 6.084 7.637 -4.368 153 2HG ARG 20 2HG ARG 20 5.996 5.978 -4.924 154 1HD ARG 20 1HD ARG 20 3.507 6.126 -5.018 155 2HD ARG 20 2HD ARG 20 3.571 7.772 -4.421 156 HE ARG 20 HE ARG 20 5.250 7.545 -6.744 157 1HH1 ARG 20 1HH1 ARG 20 1.855 7.613 -5.822 158 2HH1 ARG 20 2HH1 ARG 20 1.321 8.242 -7.345 159 1HH2 ARG 20 1HH2 ARG 20 4.548 8.380 -8.752 160 2HH2 ARG 20 2HH2 ARG 20 2.865 8.685 -9.022 161 H PHE 21 H PHE 21 3.142 6.998 -0.946 162 HA PHE 21 HA PHE 21 1.958 9.194 -2.406 163 1HB PHE 21 1HB PHE 21 1.023 6.891 -0.610 164 2HB PHE 21 2HB PHE 21 -0.109 8.113 -1.149 165 HD1 PHE 21 HD1 PHE 21 -0.850 8.196 -3.447 166 HD2 PHE 21 HD2 PHE 21 2.007 5.314 -2.208 167 HE1 PHE 21 HE1 PHE 21 -1.206 6.926 -5.582 168 HE2 PHE 21 HE2 PHE 21 1.651 4.043 -4.342 169 HZ PHE 21 HZ PHE 21 0.048 4.864 -6.004 170 H GLY 22 H GLY 22 3.095 8.412 0.838 171 1HA GLY 22 1HA GLY 22 3.397 9.838 2.582 172 2HA GLY 22 2HA GLY 22 2.573 11.109 1.702 173 H LYS 23 H LYS 23 1.111 7.881 2.089 174 HA LYS 23 HA LYS 23 -1.109 9.170 3.433 175 1HB LYS 23 1HB LYS 23 -0.741 6.453 2.148 176 2HB LYS 23 2HB LYS 23 -2.189 6.909 3.023 177 1HG LYS 23 1HG LYS 23 -1.309 8.933 1.033 178 2HG LYS 23 2HG LYS 23 -1.734 7.388 0.325 179 1HD LYS 23 1HD LYS 23 -3.949 7.441 1.393 180 2HD LYS 23 2HD LYS 23 -3.529 8.887 2.289 181 1HE LYS 23 1HE LYS 23 -3.269 10.145 0.140 182 2HE LYS 23 2HE LYS 23 -3.684 8.698 -0.758 183 1HZ LYS 23 1HZ LYS 23 -5.428 10.041 1.190 184 2HZ LYS 23 2HZ LYS 23 -5.587 10.104 -0.434 185 3HZ LYS 23 3HZ LYS 23 -5.815 8.693 0.355 186 H THR 24 H THR 24 -2.217 7.687 5.204 187 HA THR 24 HA THR 24 -0.273 7.664 7.308 188 HB THR 24 HB THR 24 -2.495 6.905 8.544 189 HG1 THR 24 HG1 THR 24 -3.570 6.287 6.549 190 1HG2 THR 24 1HG2 THR 24 -2.442 9.552 7.001 191 2HG2 THR 24 2HG2 THR 24 -3.426 9.203 8.443 192 3HG2 THR 24 3HG2 THR 24 -1.652 9.283 8.573 193 H ASN 25 H ASN 25 -1.955 5.231 5.316 194 HA ASN 25 HA ASN 25 -0.233 3.227 6.339 195 1HB ASN 25 1HB ASN 25 -2.190 3.472 8.058 196 2HB ASN 25 2HB ASN 25 -3.223 2.812 6.805 197 1HD2 ASN 25 1HD2 ASN 25 -0.306 2.233 8.709 198 2HD2 ASN 25 2HD2 ASN 25 -0.363 0.503 8.701 199 H GLY 26 H GLY 26 -0.862 1.023 5.224 200 1HA GLY 26 1HA GLY 26 -2.656 1.340 2.930 201 2HA GLY 26 2HA GLY 26 -0.977 0.949 2.612 202 H ARG 27 H ARG 27 -3.048 -0.811 1.853 203 HA ARG 27 HA ARG 27 -2.354 -3.065 3.481 204 1HB ARG 27 1HB ARG 27 -4.496 -2.066 4.465 205 2HB ARG 27 2HB ARG 27 -5.292 -2.406 2.940 206 1HG ARG 27 1HG ARG 27 -4.824 -4.824 3.189 207 2HG ARG 27 2HG ARG 27 -3.909 -4.525 4.654 208 1HD ARG 27 1HD ARG 27 -6.114 -5.240 5.347 209 2HD ARG 27 2HD ARG 27 -6.017 -3.523 5.684 210 HE ARG 27 HE ARG 27 -7.056 -3.938 3.025 211 1HH1 ARG 27 1HH1 ARG 27 -7.995 -4.312 6.394 212 2HH1 ARG 27 2HH1 ARG 27 -9.670 -3.979 6.098 213 1HH2 ARG 27 1HH2 ARG 27 -9.266 -3.502 2.633 214 2HH2 ARG 27 2HH2 ARG 27 -10.402 -3.551 3.938 215 H CYS 28 H CYS 28 -2.578 -5.087 2.308 216 HA CYS 28 HA CYS 28 -2.502 -4.647 -0.521 217 1HB CYS 28 1HB CYS 28 -0.942 -6.141 0.857 218 2HB CYS 28 2HB CYS 28 -2.258 -7.298 0.896 219 H VAL 29 H VAL 29 -4.570 -4.301 -1.370 220 HA VAL 29 HA VAL 29 -6.708 -6.065 -0.467 221 HB VAL 29 HB VAL 29 -6.655 -3.554 -2.148 222 1HG1 VAL 29 1HG1 VAL 29 -8.979 -5.329 -1.347 223 2HG1 VAL 29 2HG1 VAL 29 -9.167 -3.652 -1.912 224 3HG1 VAL 29 3HG1 VAL 29 -8.460 -4.879 -2.990 225 1HG2 VAL 29 1HG2 VAL 29 -7.687 -4.091 0.657 226 2HG2 VAL 29 2HG2 VAL 29 -6.228 -3.167 0.227 227 3HG2 VAL 29 3HG2 VAL 29 -7.835 -2.553 -0.228 228 H ASN 30 H ASN 30 -6.789 -8.005 -1.490 229 HA ASN 30 HA ASN 30 -6.865 -9.484 -3.075 230 1HB ASN 30 1HB ASN 30 -7.658 -7.101 -4.832 231 2HB ASN 30 2HB ASN 30 -7.860 -8.779 -5.298 232 1HD2 ASN 30 1HD2 ASN 30 -9.143 -10.163 -3.864 233 2HD2 ASN 30 2HD2 ASN 30 -10.524 -9.504 -3.052 234 H GLY 31 H GLY 31 -4.260 -8.231 -2.601 235 1HA GLY 31 1HA GLY 31 -2.307 -9.096 -3.447 236 2HA GLY 31 2HA GLY 31 -3.077 -9.384 -4.994 237 H PHE 32 H PHE 32 -3.935 -6.261 -3.962 238 HA PHE 32 HA PHE 32 -1.540 -5.043 -5.096 239 1HB PHE 32 1HB PHE 32 -4.444 -4.943 -6.028 240 2HB PHE 32 2HB PHE 32 -3.447 -3.522 -6.264 241 HD1 PHE 32 HD1 PHE 32 -4.054 -6.962 -7.307 242 HD2 PHE 32 HD2 PHE 32 -1.566 -3.564 -7.824 243 HE1 PHE 32 HE1 PHE 32 -3.141 -7.953 -9.425 244 HE2 PHE 32 HE2 PHE 32 -0.652 -4.554 -9.942 245 HZ PHE 32 HZ PHE 32 -1.451 -6.738 -10.717 246 H CYS 33 H CYS 33 -1.261 -2.774 -4.483 247 HA CYS 33 HA CYS 33 -1.968 -2.683 -1.737 248 1HB CYS 33 1HB CYS 33 -0.348 -0.794 -3.456 249 2HB CYS 33 2HB CYS 33 -0.539 -0.636 -1.722 250 H ASP 34 H ASP 34 -3.434 -1.256 -0.709 251 HA ASP 34 HA ASP 34 -4.472 0.867 -2.415 252 1HB ASP 34 1HB ASP 34 -6.191 -0.910 -1.882 253 2HB ASP 34 2HB ASP 34 -5.958 -0.588 -0.176 254 HD2 ASP 34 HD2 ASP 34 -8.554 1.553 -2.134 255 H CYS 35 H CYS 35 -4.250 2.943 -1.474 256 HA CYS 35 HA CYS 35 -2.930 2.902 1.135 257 1HB CYS 35 1HB CYS 35 -2.747 4.987 -1.049 258 2HB CYS 35 2HB CYS 35 -1.862 4.987 0.464 259 H PHE 36 H PHE 36 -3.694 4.303 2.787 260 HA PHE 36 HA PHE 36 -5.747 6.210 2.191 261 1HB PHE 36 1HB PHE 36 -7.328 4.991 3.838 262 2HB PHE 36 2HB PHE 36 -7.124 4.188 2.293 263 HD1 PHE 36 HD1 PHE 36 -5.939 2.084 2.131 264 HD2 PHE 36 HD2 PHE 36 -6.323 4.062 5.866 265 HE1 PHE 36 HE1 PHE 36 -5.221 -0.010 3.314 266 HE2 PHE 36 HE2 PHE 36 -5.605 1.968 7.049 267 HZ PHE 36 HZ PHE 36 -5.063 -0.043 5.759 Start of MODEL 10 1 1H ARG 1 1H ARG 1 -7.923 5.232 -1.382 2 2H ARG 1 2H ARG 1 -6.991 3.881 -1.164 3 3H ARG 1 3H ARG 1 -6.292 5.296 -1.663 4 HA ARG 1 HA ARG 1 -8.385 4.012 -3.145 5 1HB ARG 1 1HB ARG 1 -6.175 6.000 -3.828 6 2HB ARG 1 2HB ARG 1 -7.089 5.181 -5.078 7 1HG ARG 1 1HG ARG 1 -9.222 6.065 -4.036 8 2HG ARG 1 2HG ARG 1 -8.252 6.959 -2.882 9 1HD ARG 1 1HD ARG 1 -7.142 8.186 -4.765 10 2HD ARG 1 2HD ARG 1 -8.111 7.293 -5.919 11 HE ARG 1 HE ARG 1 -9.880 8.496 -4.025 12 1HH1 ARG 1 1HH1 ARG 1 -7.690 9.429 -6.618 13 2HH1 ARG 1 2HH1 ARG 1 -8.565 10.870 -7.011 14 1HH2 ARG 1 1HH2 ARG 1 -11.035 10.398 -4.544 15 2HH2 ARG 1 2HH2 ARG 1 -10.480 11.426 -5.822 16 HA PRO 2 HA PRO 2 -5.573 0.833 -4.260 17 1HB PRO 2 1HB PRO 2 -6.623 -0.006 -6.640 18 2HB PRO 2 2HB PRO 2 -7.256 -0.505 -5.085 19 1HG PRO 2 1HG PRO 2 -8.379 1.442 -7.005 20 2HG PRO 2 2HG PRO 2 -9.179 0.622 -5.678 21 1HD PRO 2 1HD PRO 2 -8.286 3.347 -5.722 22 2HD PRO 2 2HD PRO 2 -8.980 2.494 -4.358 23 H THR 3 H THR 3 -3.831 0.136 -5.656 24 HA THR 3 HA THR 3 -3.137 2.266 -7.565 25 HB THR 3 HB THR 3 -0.762 1.959 -6.770 26 HG1 THR 3 HG1 THR 3 -1.548 -0.286 -5.922 27 1HG2 THR 3 1HG2 THR 3 -2.289 3.681 -5.625 28 2HG2 THR 3 2HG2 THR 3 -2.622 2.443 -4.390 29 3HG2 THR 3 3HG2 THR 3 -0.967 3.062 -4.607 30 H ASP 4 H ASP 4 -0.753 1.046 -8.501 31 HA ASP 4 HA ASP 4 -1.918 -1.311 -9.748 32 1HB ASP 4 1HB ASP 4 -0.300 -0.938 -11.569 33 2HB ASP 4 2HB ASP 4 -1.243 0.512 -11.292 34 HD2 ASP 4 HD2 ASP 4 2.530 0.989 -11.419 35 H ILE 5 H ILE 5 0.053 -0.417 -7.217 36 HA ILE 5 HA ILE 5 2.391 -1.948 -7.789 37 HB ILE 5 HB ILE 5 1.376 -0.628 -5.271 38 1HG1 ILE 5 1HG1 ILE 5 3.575 0.280 -7.145 39 2HG1 ILE 5 2HG1 ILE 5 1.913 0.821 -7.286 40 1HG2 ILE 5 1HG2 ILE 5 3.649 -0.897 -4.401 41 2HG2 ILE 5 2HG2 ILE 5 2.876 -2.470 -4.712 42 3HG2 ILE 5 3HG2 ILE 5 4.096 -1.838 -5.844 43 1HD1 ILE 5 1HD1 ILE 5 2.972 2.485 -5.949 44 2HD1 ILE 5 2HD1 ILE 5 2.083 1.480 -4.779 45 3HD1 ILE 5 3HD1 ILE 5 3.839 1.271 -4.979 46 H LYS 6 H LYS 6 2.552 -4.118 -7.702 47 HA LYS 6 HA LYS 6 0.378 -5.597 -6.546 48 1HB LYS 6 1HB LYS 6 1.618 -6.078 -8.751 49 2HB LYS 6 2HB LYS 6 2.901 -6.735 -7.756 50 1HG LYS 6 1HG LYS 6 1.284 -8.307 -6.687 51 2HG LYS 6 2HG LYS 6 -0.016 -7.640 -7.655 52 1HD LYS 6 1HD LYS 6 1.350 -8.285 -9.737 53 2HD LYS 6 2HD LYS 6 2.431 -9.156 -8.666 54 1HE LYS 6 1HE LYS 6 -0.575 -9.660 -8.909 55 2HE LYS 6 2HE LYS 6 0.670 -10.641 -9.655 56 1HZ LYS 6 1HZ LYS 6 1.553 -10.948 -7.355 57 2HZ LYS 6 2HZ LYS 6 0.175 -10.279 -6.790 58 3HZ LYS 6 3HZ LYS 6 0.117 -11.665 -7.652 59 H CYS 7 H CYS 7 0.532 -7.117 -4.814 60 HA CYS 7 HA CYS 7 2.971 -7.147 -3.293 61 1HB CYS 7 1HB CYS 7 1.802 -6.422 -1.195 62 2HB CYS 7 2HB CYS 7 2.166 -5.156 -2.351 63 H SER 8 H SER 8 2.866 -8.885 -1.625 64 HA SER 8 HA SER 8 0.663 -10.704 -2.087 65 1HB SER 8 1HB SER 8 2.019 -12.343 -0.847 66 2HB SER 8 2HB SER 8 2.961 -11.624 -2.137 67 HG SER 8 HG SER 8 3.804 -11.809 0.271 68 H GLU 9 H GLU 9 1.821 -8.273 0.161 69 HA GLU 9 HA GLU 9 0.016 -9.181 2.203 70 1HB GLU 9 1HB GLU 9 3.023 -9.393 2.413 71 2HB GLU 9 2HB GLU 9 2.096 -9.017 3.853 72 1HG GLU 9 1HG GLU 9 1.525 -11.409 2.039 73 2HG GLU 9 2HG GLU 9 2.504 -11.497 3.490 74 HE2 GLU 9 HE2 GLU 9 1.530 -10.753 5.333 75 H SER 10 H SER 10 0.194 -7.583 4.202 76 HA SER 10 HA SER 10 -0.396 -5.182 2.801 77 1HB SER 10 1HB SER 10 -0.775 -6.067 5.689 78 2HB SER 10 2HB SER 10 -1.246 -4.476 5.127 79 HG SER 10 HG SER 10 -3.024 -5.990 5.055 80 H TYR 11 H TYR 11 2.056 -6.389 5.084 81 HA TYR 11 HA TYR 11 2.936 -3.841 5.959 82 1HB TYR 11 1HB TYR 11 4.651 -5.236 7.017 83 2HB TYR 11 2HB TYR 11 3.197 -6.214 7.002 84 HD1 TYR 11 HD1 TYR 11 3.108 -8.283 5.817 85 HD2 TYR 11 HD2 TYR 11 6.443 -5.657 5.281 86 HE1 TYR 11 HE1 TYR 11 4.362 -10.116 4.580 87 HE2 TYR 11 HE2 TYR 11 7.686 -7.500 4.047 88 HH TYR 11 HH TYR 11 7.657 -9.547 3.371 89 H GLN 12 H GLN 12 3.298 -5.556 2.981 90 HA GLN 12 HA GLN 12 5.797 -4.411 2.305 91 1HB GLN 12 1HB GLN 12 3.595 -5.614 0.569 92 2HB GLN 12 2HB GLN 12 5.184 -5.167 -0.020 93 1HG GLN 12 1HG GLN 12 6.279 -6.821 1.354 94 2HG GLN 12 2HG GLN 12 4.844 -7.076 2.327 95 1HE2 GLN 12 1HE2 GLN 12 5.880 -9.270 1.440 96 2HE2 GLN 12 2HE2 GLN 12 4.976 -9.976 0.143 97 H CYS 13 H CYS 13 2.403 -3.403 2.235 98 HA CYS 13 HA CYS 13 2.876 -1.497 0.133 99 1HB CYS 13 1HB CYS 13 0.387 -2.073 1.754 100 2HB CYS 13 2HB CYS 13 0.477 -0.991 0.379 101 H PHE 14 H PHE 14 2.729 -1.693 3.679 102 HA PHE 14 HA PHE 14 1.460 0.720 4.158 103 1HB PHE 14 1HB PHE 14 1.566 -0.594 6.087 104 2HB PHE 14 2HB PHE 14 3.038 -1.385 5.558 105 HD1 PHE 14 HD1 PHE 14 4.801 -1.145 7.006 106 HD2 PHE 14 HD2 PHE 14 2.071 2.078 6.601 107 HE1 PHE 14 HE1 PHE 14 6.115 0.179 8.685 108 HE2 PHE 14 HE2 PHE 14 3.385 3.402 8.281 109 HZ PHE 14 HZ PHE 14 5.391 2.437 9.302 110 HA PRO 15 HA PRO 15 5.834 2.524 4.538 111 1HB PRO 15 1HB PRO 15 7.946 1.158 3.470 112 2HB PRO 15 2HB PRO 15 7.517 1.085 5.168 113 1HG PRO 15 1HG PRO 15 7.089 -0.942 3.059 114 2HG PRO 15 2HG PRO 15 7.065 -1.146 4.800 115 1HD PRO 15 1HD PRO 15 4.791 -1.016 3.055 116 2HD PRO 15 2HD PRO 15 4.766 -1.103 4.805 117 H VAL 16 H VAL 16 5.182 0.697 1.642 118 HA VAL 16 HA VAL 16 6.338 2.492 -0.149 119 HB VAL 16 HB VAL 16 4.464 0.245 -0.174 120 1HG1 VAL 16 1HG1 VAL 16 3.626 0.748 -2.484 121 2HG1 VAL 16 2HG1 VAL 16 2.937 1.786 -1.212 122 3HG1 VAL 16 3HG1 VAL 16 4.215 2.415 -2.281 123 1HG2 VAL 16 1HG2 VAL 16 6.553 1.204 -2.159 124 2HG2 VAL 16 2HG2 VAL 16 6.845 0.093 -0.801 125 3HG2 VAL 16 3HG2 VAL 16 5.774 -0.396 -2.135 126 H CYS 17 H CYS 17 3.176 2.455 1.547 127 HA CYS 17 HA CYS 17 2.091 4.483 -0.116 128 1HB CYS 17 1HB CYS 17 1.188 3.208 2.463 129 2HB CYS 17 2HB CYS 17 0.305 4.521 1.710 130 H LYS 18 H LYS 18 3.690 4.249 3.101 131 HA LYS 18 HA LYS 18 3.106 6.912 3.853 132 1HB LYS 18 1HB LYS 18 3.553 5.071 5.445 133 2HB LYS 18 2HB LYS 18 5.216 4.999 4.896 134 1HG LYS 18 1HG LYS 18 4.286 7.724 5.671 135 2HG LYS 18 2HG LYS 18 4.325 6.569 6.986 136 1HD LYS 18 1HD LYS 18 6.694 6.040 6.504 137 2HD LYS 18 2HD LYS 18 6.672 7.092 5.103 138 1HE LYS 18 1HE LYS 18 6.176 9.052 6.586 139 2HE LYS 18 2HE LYS 18 6.209 7.998 7.985 140 1HZ LYS 18 1HZ LYS 18 8.492 7.462 7.452 141 2HZ LYS 18 2HZ LYS 18 8.461 8.447 6.150 142 3HZ LYS 18 3HZ LYS 18 8.314 9.073 7.652 143 H SER 19 H SER 19 5.666 5.319 1.968 144 HA SER 19 HA SER 19 7.414 7.540 2.178 145 1HB SER 19 1HB SER 19 8.315 5.287 1.861 146 2HB SER 19 2HB SER 19 7.410 5.082 0.375 147 HG SER 19 HG SER 19 9.564 6.958 0.848 148 H ARG 20 H ARG 20 5.301 6.122 -0.436 149 HA ARG 20 HA ARG 20 6.389 8.033 -2.241 150 1HB ARG 20 1HB ARG 20 5.913 5.633 -2.872 151 2HB ARG 20 2HB ARG 20 4.199 5.938 -2.671 152 1HG ARG 20 1HG ARG 20 4.231 7.617 -4.472 153 2HG ARG 20 2HG ARG 20 5.974 7.498 -4.606 154 1HD ARG 20 1HD ARG 20 4.096 5.132 -5.067 155 2HD ARG 20 2HD ARG 20 4.660 6.176 -6.357 156 HE ARG 20 HE ARG 20 6.957 5.327 -4.919 157 1HH1 ARG 20 1HH1 ARG 20 4.498 4.022 -7.068 158 2HH1 ARG 20 2HH1 ARG 20 5.446 2.647 -7.528 159 1HH2 ARG 20 1HH2 ARG 20 8.207 3.506 -5.518 160 2HH2 ARG 20 2HH2 ARG 20 7.587 2.375 -6.674 161 H PHE 21 H PHE 21 3.109 7.171 -0.923 162 HA PHE 21 HA PHE 21 2.004 9.461 -2.331 163 1HB PHE 21 1HB PHE 21 0.892 7.074 -0.743 164 2HB PHE 21 2HB PHE 21 -0.152 8.310 -1.419 165 HD1 PHE 21 HD1 PHE 21 -0.342 8.554 -3.881 166 HD2 PHE 21 HD2 PHE 21 1.842 5.370 -2.123 167 HE1 PHE 21 HE1 PHE 21 -0.414 7.305 -6.057 168 HE2 PHE 21 HE2 PHE 21 1.771 4.120 -4.298 169 HZ PHE 21 HZ PHE 21 0.644 5.102 -6.240 170 H GLY 22 H GLY 22 3.071 8.483 0.849 171 1HA GLY 22 1HA GLY 22 3.395 9.842 2.635 172 2HA GLY 22 2HA GLY 22 2.576 11.146 1.799 173 H LYS 23 H LYS 23 1.074 7.932 2.131 174 HA LYS 23 HA LYS 23 -1.088 9.185 3.588 175 1HB LYS 23 1HB LYS 23 -0.770 6.451 2.321 176 2HB LYS 23 2HB LYS 23 -2.204 6.968 3.185 177 1HG LYS 23 1HG LYS 23 -1.590 9.076 1.359 178 2HG LYS 23 2HG LYS 23 -1.390 7.588 0.456 179 1HD LYS 23 1HD LYS 23 -3.693 8.107 0.186 180 2HD LYS 23 2HD LYS 23 -3.687 6.868 1.425 181 1HE LYS 23 1HE LYS 23 -5.133 8.534 2.308 182 2HE LYS 23 2HE LYS 23 -3.622 8.812 3.151 183 1HZ LYS 23 1HZ LYS 23 -3.121 10.574 1.673 184 2HZ LYS 23 2HZ LYS 23 -4.393 10.241 0.704 185 3HZ LYS 23 3HZ LYS 23 -4.643 10.818 2.212 186 H THR 24 H THR 24 -2.117 7.645 5.375 187 HA THR 24 HA THR 24 -0.104 7.623 7.414 188 HB THR 24 HB THR 24 -2.269 6.784 8.703 189 HG1 THR 24 HG1 THR 24 -3.392 6.191 6.727 190 1HG2 THR 24 1HG2 THR 24 -2.321 9.469 7.225 191 2HG2 THR 24 2HG2 THR 24 -3.250 9.063 8.688 192 3HG2 THR 24 3HG2 THR 24 -1.475 9.178 8.763 193 H ASN 25 H ASN 25 -1.791 5.192 5.422 194 HA ASN 25 HA ASN 25 -0.026 3.192 6.369 195 1HB ASN 25 1HB ASN 25 -1.930 3.419 8.159 196 2HB ASN 25 2HB ASN 25 -2.990 2.735 6.942 197 1HD2 ASN 25 1HD2 ASN 25 -3.073 1.200 8.874 198 2HD2 ASN 25 2HD2 ASN 25 -2.035 -0.185 8.809 199 H GLY 26 H GLY 26 -0.653 1.002 5.247 200 1HA GLY 26 1HA GLY 26 -2.523 1.344 3.009 201 2HA GLY 26 2HA GLY 26 -0.862 0.906 2.662 202 H ARG 27 H ARG 27 -3.079 -0.771 1.999 203 HA ARG 27 HA ARG 27 -2.199 -3.069 3.475 204 1HB ARG 27 1HB ARG 27 -4.532 -3.890 3.848 205 2HB ARG 27 2HB ARG 27 -4.227 -2.401 4.719 206 1HG ARG 27 1HG ARG 27 -5.339 -1.094 2.917 207 2HG ARG 27 2HG ARG 27 -5.597 -2.559 1.991 208 1HD ARG 27 1HD ARG 27 -7.674 -2.201 3.111 209 2HD ARG 27 2HD ARG 27 -6.895 -3.461 4.046 210 HE ARG 27 HE ARG 27 -6.968 -0.567 4.832 211 1HH1 ARG 27 1HH1 ARG 27 -5.853 -3.735 5.738 212 2HH1 ARG 27 2HH1 ARG 27 -6.413 -3.640 7.373 213 1HH2 ARG 27 1HH2 ARG 27 -7.666 -0.360 7.048 214 2HH2 ARG 27 2HH2 ARG 27 -7.238 -1.609 8.169 215 H CYS 28 H CYS 28 -2.960 -5.155 2.332 216 HA CYS 28 HA CYS 28 -2.663 -4.590 -0.498 217 1HB CYS 28 1HB CYS 28 -1.147 -6.151 0.900 218 2HB CYS 28 2HB CYS 28 -2.461 -7.304 0.787 219 H VAL 29 H VAL 29 -4.652 -4.326 -1.496 220 HA VAL 29 HA VAL 29 -6.827 -6.087 -0.666 221 HB VAL 29 HB VAL 29 -6.747 -3.645 -2.449 222 1HG1 VAL 29 1HG1 VAL 29 -9.076 -5.352 -1.512 223 2HG1 VAL 29 2HG1 VAL 29 -9.247 -3.735 -2.238 224 3HG1 VAL 29 3HG1 VAL 29 -8.542 -5.067 -3.186 225 1HG2 VAL 29 1HG2 VAL 29 -7.727 -4.028 0.400 226 2HG2 VAL 29 2HG2 VAL 29 -6.324 -3.068 -0.129 227 3HG2 VAL 29 3HG2 VAL 29 -7.970 -2.560 -0.577 228 H ASN 30 H ASN 30 -6.754 -8.062 -1.644 229 HA ASN 30 HA ASN 30 -6.927 -9.527 -3.231 230 1HB ASN 30 1HB ASN 30 -7.486 -7.170 -5.109 231 2HB ASN 30 2HB ASN 30 -7.895 -8.845 -5.426 232 1HD2 ASN 30 1HD2 ASN 30 -9.747 -6.785 -5.455 233 2HD2 ASN 30 2HD2 ASN 30 -10.880 -6.971 -4.159 234 H GLY 31 H GLY 31 -4.292 -8.232 -2.702 235 1HA GLY 31 1HA GLY 31 -2.287 -9.076 -3.451 236 2HA GLY 31 2HA GLY 31 -3.001 -9.454 -5.005 237 H PHE 32 H PHE 32 -3.934 -6.303 -4.040 238 HA PHE 32 HA PHE 32 -1.543 -5.080 -5.177 239 1HB PHE 32 1HB PHE 32 -4.465 -4.910 -6.072 240 2HB PHE 32 2HB PHE 32 -3.385 -3.568 -6.388 241 HD1 PHE 32 HD1 PHE 32 -4.257 -6.986 -7.288 242 HD2 PHE 32 HD2 PHE 32 -1.521 -3.814 -7.963 243 HE1 PHE 32 HE1 PHE 32 -3.456 -8.123 -9.378 244 HE2 PHE 32 HE2 PHE 32 -0.720 -4.950 -10.052 245 HZ PHE 32 HZ PHE 32 -1.696 -7.091 -10.734 246 H CYS 33 H CYS 33 -1.289 -2.792 -4.581 247 HA CYS 33 HA CYS 33 -1.921 -2.754 -1.818 248 1HB CYS 33 1HB CYS 33 -0.337 -0.881 -3.580 249 2HB CYS 33 2HB CYS 33 -0.545 -0.633 -1.858 250 H ASP 34 H ASP 34 -3.216 -1.183 -0.687 251 HA ASP 34 HA ASP 34 -4.369 0.885 -2.365 252 1HB ASP 34 1HB ASP 34 -6.051 -0.973 -1.927 253 2HB ASP 34 2HB ASP 34 -5.897 -0.650 -0.211 254 HD2 ASP 34 HD2 ASP 34 -8.620 1.285 -2.070 255 H CYS 35 H CYS 35 -4.192 2.924 -1.345 256 HA CYS 35 HA CYS 35 -2.896 2.811 1.264 257 1HB CYS 35 1HB CYS 35 -2.916 5.063 -0.755 258 2HB CYS 35 2HB CYS 35 -1.986 5.000 0.730 259 H PHE 36 H PHE 36 -3.655 4.182 2.990 260 HA PHE 36 HA PHE 36 -5.841 5.965 2.483 261 1HB PHE 36 1HB PHE 36 -7.376 4.749 4.029 262 2HB PHE 36 2HB PHE 36 -6.914 3.678 2.721 263 HD1 PHE 36 HD1 PHE 36 -5.237 1.886 3.130 264 HD2 PHE 36 HD2 PHE 36 -6.772 4.270 6.287 265 HE1 PHE 36 HE1 PHE 36 -4.434 0.192 4.799 266 HE2 PHE 36 HE2 PHE 36 -5.969 2.576 7.956 267 HZ PHE 36 HZ PHE 36 -4.809 0.558 7.193 Start of MODEL 11 1 1H ARG 1 1H ARG 1 -6.426 4.632 -1.415 2 2H ARG 1 2H ARG 1 -7.628 5.755 -1.611 3 3H ARG 1 3H ARG 1 -8.006 4.211 -1.148 4 HA ARG 1 HA ARG 1 -8.575 4.169 -3.238 5 1HB ARG 1 1HB ARG 1 -7.224 5.224 -5.077 6 2HB ARG 1 2HB ARG 1 -7.740 6.393 -3.879 7 1HG ARG 1 1HG ARG 1 -5.507 6.232 -2.758 8 2HG ARG 1 2HG ARG 1 -4.990 5.062 -3.956 9 1HD ARG 1 1HD ARG 1 -5.378 6.777 -5.765 10 2HD ARG 1 2HD ARG 1 -5.830 7.946 -4.538 11 HE ARG 1 HE ARG 1 -3.287 6.871 -3.819 12 1HH1 ARG 1 1HH1 ARG 1 -4.725 8.902 -6.308 13 2HH1 ARG 1 2HH1 ARG 1 -3.261 9.775 -6.621 14 1HH2 ARG 1 1HH2 ARG 1 -1.356 8.022 -4.233 15 2HH2 ARG 1 2HH2 ARG 1 -1.333 9.272 -5.433 16 HA PRO 2 HA PRO 2 -5.830 0.806 -4.210 17 1HB PRO 2 1HB PRO 2 -6.834 0.050 -6.637 18 2HB PRO 2 2HB PRO 2 -7.503 -0.494 -5.112 19 1HG PRO 2 1HG PRO 2 -8.574 1.520 -6.992 20 2HG PRO 2 2HG PRO 2 -9.407 0.664 -5.709 21 1HD PRO 2 1HD PRO 2 -8.496 3.383 -5.647 22 2HD PRO 2 2HD PRO 2 -9.224 2.491 -4.326 23 H THR 3 H THR 3 -4.063 0.142 -5.594 24 HA THR 3 HA THR 3 -3.411 2.218 -7.565 25 HB THR 3 HB THR 3 -1.158 2.376 -6.701 26 HG1 THR 3 HG1 THR 3 -2.087 0.188 -4.975 27 1HG2 THR 3 1HG2 THR 3 -2.894 2.038 -4.203 28 2HG2 THR 3 2HG2 THR 3 -1.416 3.017 -4.356 29 3HG2 THR 3 3HG2 THR 3 -2.902 3.510 -5.203 30 H ASP 4 H ASP 4 -0.938 1.052 -8.362 31 HA ASP 4 HA ASP 4 -2.044 -1.357 -9.575 32 1HB ASP 4 1HB ASP 4 -0.612 -0.865 -11.521 33 2HB ASP 4 2HB ASP 4 -1.652 0.501 -11.171 34 HD2 ASP 4 HD2 ASP 4 0.362 0.768 -12.636 35 H ILE 5 H ILE 5 -0.168 -0.543 -7.081 36 HA ILE 5 HA ILE 5 2.271 -1.914 -7.791 37 HB ILE 5 HB ILE 5 1.316 -0.623 -5.235 38 1HG1 ILE 5 1HG1 ILE 5 3.364 0.330 -7.257 39 2HG1 ILE 5 2HG1 ILE 5 1.705 0.891 -7.190 40 1HG2 ILE 5 1HG2 ILE 5 2.898 -2.458 -4.791 41 2HG2 ILE 5 2HG2 ILE 5 4.067 -1.706 -5.901 42 3HG2 ILE 5 3HG2 ILE 5 3.585 -0.862 -4.411 43 1HD1 ILE 5 1HD1 ILE 5 2.958 2.499 -5.942 44 2HD1 ILE 5 2HD1 ILE 5 2.155 1.491 -4.714 45 3HD1 ILE 5 3HD1 ILE 5 3.876 1.235 -5.089 46 H LYS 6 H LYS 6 2.529 -4.074 -7.661 47 HA LYS 6 HA LYS 6 0.399 -5.620 -6.528 48 1HB LYS 6 1HB LYS 6 2.972 -6.345 -7.953 49 2HB LYS 6 2HB LYS 6 1.840 -7.537 -7.348 50 1HG LYS 6 1HG LYS 6 0.022 -6.525 -8.731 51 2HG LYS 6 2HG LYS 6 1.141 -5.314 -9.325 52 1HD LYS 6 1HD LYS 6 1.188 -6.929 -11.041 53 2HD LYS 6 2HD LYS 6 2.611 -7.338 -10.103 54 1HE LYS 6 1HE LYS 6 1.352 -9.107 -8.903 55 2HE LYS 6 2HE LYS 6 -0.120 -8.663 -9.744 56 1HZ LYS 6 1HZ LYS 6 2.330 -9.645 -11.037 57 2HZ LYS 6 2HZ LYS 6 0.972 -10.518 -10.786 58 3HZ LYS 6 3HZ LYS 6 0.947 -9.248 -11.811 59 H CYS 7 H CYS 7 0.646 -7.231 -4.838 60 HA CYS 7 HA CYS 7 3.012 -7.139 -3.241 61 1HB CYS 7 1HB CYS 7 1.762 -6.439 -1.166 62 2HB CYS 7 2HB CYS 7 2.172 -5.172 -2.305 63 H SER 8 H SER 8 2.919 -8.875 -1.572 64 HA SER 8 HA SER 8 0.736 -10.719 -2.031 65 1HB SER 8 1HB SER 8 2.099 -12.336 -0.770 66 2HB SER 8 2HB SER 8 3.041 -11.620 -2.063 67 HG SER 8 HG SER 8 3.843 -11.771 0.380 68 H GLU 9 H GLU 9 1.894 -8.279 0.214 69 HA GLU 9 HA GLU 9 0.033 -9.141 2.225 70 1HB GLU 9 1HB GLU 9 3.031 -9.384 2.507 71 2HB GLU 9 2HB GLU 9 2.075 -8.983 3.921 72 1HG GLU 9 1HG GLU 9 1.524 -11.389 2.120 73 2HG GLU 9 2HG GLU 9 2.461 -11.470 3.600 74 HE2 GLU 9 HE2 GLU 9 1.442 -10.690 5.404 75 H SER 10 H SER 10 0.172 -7.518 4.203 76 HA SER 10 HA SER 10 -0.349 -5.134 2.743 77 1HB SER 10 1HB SER 10 -0.885 -6.039 5.594 78 2HB SER 10 2HB SER 10 -1.235 -4.401 5.081 79 HG SER 10 HG SER 10 -3.092 -5.813 4.873 80 H TYR 11 H TYR 11 2.011 -6.333 5.120 81 HA TYR 11 HA TYR 11 2.882 -3.791 6.012 82 1HB TYR 11 1HB TYR 11 4.565 -5.194 7.111 83 2HB TYR 11 2HB TYR 11 3.107 -6.165 7.061 84 HD1 TYR 11 HD1 TYR 11 6.391 -5.616 5.403 85 HD2 TYR 11 HD2 TYR 11 3.045 -8.239 5.889 86 HE1 TYR 11 HE1 TYR 11 7.655 -7.464 4.198 87 HE2 TYR 11 HE2 TYR 11 4.321 -10.077 4.682 88 HH TYR 11 HH TYR 11 7.631 -9.506 3.514 89 H GLN 12 H GLN 12 3.325 -5.519 3.048 90 HA GLN 12 HA GLN 12 5.841 -4.396 2.427 91 1HB GLN 12 1HB GLN 12 3.652 -5.546 0.642 92 2HB GLN 12 2HB GLN 12 5.255 -5.115 0.082 93 1HG GLN 12 1HG GLN 12 6.306 -6.798 1.452 94 2HG GLN 12 2HG GLN 12 4.856 -7.042 2.404 95 1HE2 GLN 12 1HE2 GLN 12 5.867 -9.243 1.512 96 2HE2 GLN 12 2HE2 GLN 12 4.969 -9.924 0.197 97 H CYS 13 H CYS 13 2.459 -3.335 2.271 98 HA CYS 13 HA CYS 13 3.027 -1.428 0.194 99 1HB CYS 13 1HB CYS 13 0.472 -1.956 1.726 100 2HB CYS 13 2HB CYS 13 0.633 -0.906 0.334 101 H PHE 14 H PHE 14 2.737 -1.629 3.736 102 HA PHE 14 HA PHE 14 1.461 0.787 4.160 103 1HB PHE 14 1HB PHE 14 1.476 -0.528 6.090 104 2HB PHE 14 2HB PHE 14 2.968 -1.322 5.627 105 HD1 PHE 14 HD1 PHE 14 1.968 2.145 6.624 106 HD2 PHE 14 HD2 PHE 14 4.662 -1.091 7.157 107 HE1 PHE 14 HE1 PHE 14 3.209 3.464 8.362 108 HE2 PHE 14 HE2 PHE 14 5.903 0.228 8.895 109 HZ PHE 14 HZ PHE 14 5.162 2.490 9.476 110 HA PRO 15 HA PRO 15 5.822 2.581 4.709 111 1HB PRO 15 1HB PRO 15 7.969 1.202 3.732 112 2HB PRO 15 2HB PRO 15 7.477 1.143 5.412 113 1HG PRO 15 1HG PRO 15 7.122 -0.900 3.305 114 2HG PRO 15 2HG PRO 15 7.033 -1.090 5.045 115 1HD PRO 15 1HD PRO 15 4.826 -0.967 3.216 116 2HD PRO 15 2HD PRO 15 4.734 -1.041 4.965 117 H VAL 16 H VAL 16 5.285 0.729 1.804 118 HA VAL 16 HA VAL 16 6.547 2.489 0.052 119 HB VAL 16 HB VAL 16 4.653 0.258 -0.041 120 1HG1 VAL 16 1HG1 VAL 16 3.205 1.792 -1.192 121 2HG1 VAL 16 2HG1 VAL 16 4.548 2.400 -2.188 122 3HG1 VAL 16 3HG1 VAL 16 3.961 0.734 -2.408 123 1HG2 VAL 16 1HG2 VAL 16 6.864 1.162 -1.918 124 2HG2 VAL 16 2HG2 VAL 16 7.065 0.072 -0.527 125 3HG2 VAL 16 3HG2 VAL 16 6.067 -0.430 -1.912 126 H CYS 17 H CYS 17 3.312 2.515 1.601 127 HA CYS 17 HA CYS 17 2.304 4.472 -0.191 128 1HB CYS 17 1HB CYS 17 1.264 3.351 2.414 129 2HB CYS 17 2HB CYS 17 0.405 4.555 1.475 130 H LYS 18 H LYS 18 3.771 4.369 3.091 131 HA LYS 18 HA LYS 18 3.164 7.067 3.704 132 1HB LYS 18 1HB LYS 18 3.528 5.304 5.399 133 2HB LYS 18 2HB LYS 18 5.209 5.184 4.919 134 1HG LYS 18 1HG LYS 18 5.695 7.425 5.662 135 2HG LYS 18 2HG LYS 18 3.997 7.840 5.781 136 1HD LYS 18 1HD LYS 18 4.818 7.446 8.033 137 2HD LYS 18 2HD LYS 18 3.743 6.125 7.620 138 1HE LYS 18 1HE LYS 18 5.626 4.644 7.131 139 2HE LYS 18 2HE LYS 18 6.770 5.965 7.260 140 1HZ LYS 18 1HZ LYS 18 6.215 6.173 9.571 141 2HZ LYS 18 2HZ LYS 18 5.085 4.999 9.465 142 3HZ LYS 18 3HZ LYS 18 6.663 4.633 9.262 143 H SER 19 H SER 19 5.812 5.364 2.038 144 HA SER 19 HA SER 19 7.565 7.574 2.191 145 1HB SER 19 1HB SER 19 8.431 5.292 1.963 146 2HB SER 19 2HB SER 19 7.569 5.068 0.453 147 HG SER 19 HG SER 19 9.739 6.921 0.950 148 H ARG 20 H ARG 20 5.335 6.189 -0.315 149 HA ARG 20 HA ARG 20 6.506 7.905 -2.262 150 1HB ARG 20 1HB ARG 20 5.833 5.539 -2.775 151 2HB ARG 20 2HB ARG 20 4.157 5.953 -2.476 152 1HG ARG 20 1HG ARG 20 4.466 6.053 -4.865 153 2HG ARG 20 2HG ARG 20 4.335 7.712 -4.313 154 1HD ARG 20 1HD ARG 20 6.747 8.035 -4.436 155 2HD ARG 20 2HD ARG 20 7.028 6.322 -4.677 156 HE ARG 20 HE ARG 20 5.290 7.240 -6.754 157 1HH1 ARG 20 1HH1 ARG 20 8.624 7.611 -5.690 158 2HH1 ARG 20 2HH1 ARG 20 9.233 7.909 -7.283 159 1HH2 ARG 20 1HH2 ARG 20 6.094 7.634 -8.857 160 2HH2 ARG 20 2HH2 ARG 20 7.784 7.929 -9.096 161 H PHE 21 H PHE 21 3.144 7.317 -0.959 162 HA PHE 21 HA PHE 21 2.312 9.722 -2.386 163 1HB PHE 21 1HB PHE 21 0.728 7.486 -0.987 164 2HB PHE 21 2HB PHE 21 0.052 8.678 -2.081 165 HD1 PHE 21 HD1 PHE 21 1.417 8.719 -4.453 166 HD2 PHE 21 HD2 PHE 21 0.988 5.382 -1.867 167 HE1 PHE 21 HE1 PHE 21 1.814 7.170 -6.388 168 HE2 PHE 21 HE2 PHE 21 1.385 3.833 -3.802 169 HZ PHE 21 HZ PHE 21 1.793 4.745 -6.038 170 H GLY 22 H GLY 22 3.069 8.555 0.785 171 1HA GLY 22 1HA GLY 22 3.217 9.789 2.683 172 2HA GLY 22 2HA GLY 22 2.436 11.136 1.879 173 H LYS 23 H LYS 23 1.264 7.732 2.276 174 HA LYS 23 HA LYS 23 -1.108 8.847 3.581 175 1HB LYS 23 1HB LYS 23 -0.624 6.680 1.661 176 2HB LYS 23 2HB LYS 23 -1.647 6.196 2.999 177 1HG LYS 23 1HG LYS 23 -3.024 7.130 1.178 178 2HG LYS 23 2HG LYS 23 -3.133 8.153 2.597 179 1HD LYS 23 1HD LYS 23 -1.786 9.852 1.648 180 2HD LYS 23 2HD LYS 23 -1.020 8.757 0.515 181 1HE LYS 23 1HE LYS 23 -2.586 10.166 -0.719 182 2HE LYS 23 2HE LYS 23 -3.209 8.528 -0.712 183 1HZ LYS 23 1HZ LYS 23 -4.686 9.107 1.038 184 2HZ LYS 23 2HZ LYS 23 -4.033 10.593 1.207 185 3HZ LYS 23 3HZ LYS 23 -4.864 10.215 -0.148 186 H THR 24 H THR 24 -2.078 7.409 5.355 187 HA THR 24 HA THR 24 0.029 7.296 7.303 188 HB THR 24 HB THR 24 -2.056 6.820 8.783 189 HG1 THR 24 HG1 THR 24 -4.032 6.980 7.582 190 1HG2 THR 24 1HG2 THR 24 -2.239 9.255 6.933 191 2HG2 THR 24 2HG2 THR 24 -2.969 9.097 8.549 192 3HG2 THR 24 3HG2 THR 24 -1.200 9.176 8.377 193 H ASN 25 H ASN 25 -2.010 4.970 5.524 194 HA ASN 25 HA ASN 25 -0.263 2.897 6.416 195 1HB ASN 25 1HB ASN 25 -2.097 3.070 8.204 196 2HB ASN 25 2HB ASN 25 -3.267 2.664 6.964 197 1HD2 ASN 25 1HD2 ASN 25 -3.784 0.842 8.269 198 2HD2 ASN 25 2HD2 ASN 25 -2.842 -0.610 8.200 199 H GLY 26 H GLY 26 -0.717 0.843 5.131 200 1HA GLY 26 1HA GLY 26 -2.636 1.175 2.930 201 2HA GLY 26 2HA GLY 26 -0.952 0.869 2.551 202 H ARG 27 H ARG 27 -3.381 -0.829 2.062 203 HA ARG 27 HA ARG 27 -2.414 -3.163 3.487 204 1HB ARG 27 1HB ARG 27 -5.315 -2.261 3.182 205 2HB ARG 27 2HB ARG 27 -4.899 -3.920 3.564 206 1HG ARG 27 1HG ARG 27 -3.678 -3.165 5.598 207 2HG ARG 27 2HG ARG 27 -4.029 -1.494 5.206 208 1HD ARG 27 1HD ARG 27 -6.494 -1.998 5.358 209 2HD ARG 27 2HD ARG 27 -6.115 -3.648 5.808 210 HE ARG 27 HE ARG 27 -4.675 -1.982 7.588 211 1HH1 ARG 27 1HH1 ARG 27 -8.016 -2.788 6.835 212 2HH1 ARG 27 2HH1 ARG 27 -8.610 -2.348 8.401 213 1HH2 ARG 27 1HH2 ARG 27 -5.458 -1.394 9.654 214 2HH2 ARG 27 2HH2 ARG 27 -7.141 -1.576 10.024 215 H CYS 28 H CYS 28 -2.843 -5.225 2.316 216 HA CYS 28 HA CYS 28 -2.612 -4.677 -0.507 217 1HB CYS 28 1HB CYS 28 -1.019 -6.138 0.840 218 2HB CYS 28 2HB CYS 28 -2.293 -7.340 0.875 219 H VAL 29 H VAL 29 -4.684 -4.364 -1.373 220 HA VAL 29 HA VAL 29 -6.763 -6.252 -0.596 221 HB VAL 29 HB VAL 29 -6.806 -3.690 -2.203 222 1HG1 VAL 29 1HG1 VAL 29 -9.302 -3.882 -1.948 223 2HG1 VAL 29 2HG1 VAL 29 -8.569 -5.090 -3.031 224 3HG1 VAL 29 3HG1 VAL 29 -9.056 -5.552 -1.382 225 1HG2 VAL 29 1HG2 VAL 29 -7.757 -4.317 0.613 226 2HG2 VAL 29 2HG2 VAL 29 -6.356 -3.314 0.165 227 3HG2 VAL 29 3HG2 VAL 29 -8.004 -2.776 -0.242 228 H ASN 30 H ASN 30 -6.703 -8.156 -1.702 229 HA ASN 30 HA ASN 30 -6.911 -9.521 -3.372 230 1HB ASN 30 1HB ASN 30 -7.531 -7.059 -5.089 231 2HB ASN 30 2HB ASN 30 -7.934 -8.714 -5.500 232 1HD2 ASN 30 1HD2 ASN 30 -9.803 -6.676 -5.362 233 2HD2 ASN 30 2HD2 ASN 30 -10.906 -6.951 -4.055 234 H GLY 31 H GLY 31 -4.271 -8.290 -2.818 235 1HA GLY 31 1HA GLY 31 -2.269 -9.004 -3.668 236 2HA GLY 31 2HA GLY 31 -3.022 -9.342 -5.214 237 H PHE 32 H PHE 32 -3.962 -6.245 -4.045 238 HA PHE 32 HA PHE 32 -1.654 -4.947 -5.280 239 1HB PHE 32 1HB PHE 32 -4.638 -4.755 -5.900 240 2HB PHE 32 2HB PHE 32 -3.638 -3.338 -6.149 241 HD1 PHE 32 HD1 PHE 32 -4.455 -6.677 -7.350 242 HD2 PHE 32 HD2 PHE 32 -1.906 -3.327 -7.884 243 HE1 PHE 32 HE1 PHE 32 -3.788 -7.544 -9.610 244 HE2 PHE 32 HE2 PHE 32 -1.239 -4.193 -10.143 245 HZ PHE 32 HZ PHE 32 -2.189 -6.291 -10.979 246 H CYS 33 H CYS 33 -1.242 -2.785 -4.501 247 HA CYS 33 HA CYS 33 -1.865 -2.679 -1.741 248 1HB CYS 33 1HB CYS 33 -0.310 -0.815 -3.541 249 2HB CYS 33 2HB CYS 33 -0.477 -0.584 -1.813 250 H ASP 34 H ASP 34 -3.345 -1.315 -0.676 251 HA ASP 34 HA ASP 34 -4.535 0.755 -2.347 252 1HB ASP 34 1HB ASP 34 -6.131 -1.116 -1.746 253 2HB ASP 34 2HB ASP 34 -5.867 -0.758 -0.052 254 HD2 ASP 34 HD2 ASP 34 -8.671 1.169 -1.915 255 H CYS 35 H CYS 35 -4.236 2.835 -1.462 256 HA CYS 35 HA CYS 35 -2.871 2.815 1.125 257 1HB CYS 35 1HB CYS 35 -2.598 4.759 -1.177 258 2HB CYS 35 2HB CYS 35 -1.749 4.866 0.351 259 H PHE 36 H PHE 36 -3.555 4.297 2.738 260 HA PHE 36 HA PHE 36 -5.460 6.332 2.084 261 1HB PHE 36 1HB PHE 36 -7.176 5.314 3.675 262 2HB PHE 36 2HB PHE 36 -6.934 4.345 2.236 263 HD1 PHE 36 HD1 PHE 36 -5.777 2.198 2.359 264 HD2 PHE 36 HD2 PHE 36 -6.433 4.528 5.845 265 HE1 PHE 36 HE1 PHE 36 -5.248 0.205 3.790 266 HE2 PHE 36 HE2 PHE 36 -5.905 2.535 7.277 267 HZ PHE 36 HZ PHE 36 -5.319 0.398 6.232 Start of MODEL 12 1 1H ARG 1 1H ARG 1 -6.439 4.753 -1.425 2 2H ARG 1 2H ARG 1 -5.624 5.895 -2.303 3 3H ARG 1 3H ARG 1 -7.196 6.162 -1.854 4 HA ARG 1 HA ARG 1 -8.061 4.728 -3.253 5 1HB ARG 1 1HB ARG 1 -5.627 6.009 -4.580 6 2HB ARG 1 2HB ARG 1 -6.850 5.165 -5.507 7 1HG ARG 1 1HG ARG 1 -8.602 6.699 -4.518 8 2HG ARG 1 2HG ARG 1 -7.329 7.578 -3.696 9 1HD ARG 1 1HD ARG 1 -6.269 8.110 -5.904 10 2HD ARG 1 2HD ARG 1 -7.540 7.227 -6.727 11 HE ARG 1 HE ARG 1 -8.774 9.157 -5.020 12 1HH1 ARG 1 1HH1 ARG 1 -6.807 9.027 -7.936 13 2HH1 ARG 1 2HH1 ARG 1 -7.431 10.512 -8.576 14 1HH2 ARG 1 1HH2 ARG 1 -9.598 11.114 -5.866 15 2HH2 ARG 1 2HH2 ARG 1 -9.029 11.706 -7.390 16 HA PRO 2 HA PRO 2 -5.799 0.975 -4.155 17 1HB PRO 2 1HB PRO 2 -7.276 0.000 -6.238 18 2HB PRO 2 2HB PRO 2 -7.689 -0.277 -4.557 19 1HG PRO 2 1HG PRO 2 -8.952 1.561 -6.499 20 2HG PRO 2 2HG PRO 2 -9.590 0.959 -4.982 21 1HD PRO 2 1HD PRO 2 -8.509 3.569 -5.474 22 2HD PRO 2 2HD PRO 2 -9.039 2.929 -3.932 23 H THR 3 H THR 3 -4.102 0.247 -5.412 24 HA THR 3 HA THR 3 -3.674 1.930 -7.791 25 HB THR 3 HB THR 3 -1.345 2.143 -7.144 26 HG1 THR 3 HG1 THR 3 -0.625 0.832 -5.305 27 1HG2 THR 3 1HG2 THR 3 -2.831 2.253 -4.477 28 2HG2 THR 3 2HG2 THR 3 -1.420 3.217 -4.977 29 3HG2 THR 3 3HG2 THR 3 -3.013 3.519 -5.715 30 H ASP 4 H ASP 4 -1.256 0.599 -8.568 31 HA ASP 4 HA ASP 4 -2.419 -1.988 -9.248 32 1HB ASP 4 1HB ASP 4 -1.335 -1.792 -11.454 33 2HB ASP 4 2HB ASP 4 -2.404 -0.431 -11.180 34 HD2 ASP 4 HD2 ASP 4 -1.510 1.422 -10.606 35 H ILE 5 H ILE 5 -0.347 -0.800 -7.171 36 HA ILE 5 HA ILE 5 2.109 -2.058 -7.973 37 HB ILE 5 HB ILE 5 1.214 -0.727 -5.415 38 1HG1 ILE 5 1HG1 ILE 5 3.127 0.265 -7.545 39 2HG1 ILE 5 2HG1 ILE 5 1.428 0.689 -7.492 40 1HG2 ILE 5 1HG2 ILE 5 2.920 -2.425 -4.950 41 2HG2 ILE 5 2HG2 ILE 5 3.980 -1.702 -6.184 42 3HG2 ILE 5 3HG2 ILE 5 3.552 -0.777 -4.725 43 1HD1 ILE 5 1HD1 ILE 5 3.570 1.325 -5.427 44 2HD1 ILE 5 2HD1 ILE 5 2.562 2.463 -6.353 45 3HD1 ILE 5 3HD1 ILE 5 1.833 1.473 -5.065 46 H LYS 6 H LYS 6 2.466 -4.207 -7.856 47 HA LYS 6 HA LYS 6 0.454 -5.832 -6.668 48 1HB LYS 6 1HB LYS 6 1.658 -6.320 -8.816 49 2HB LYS 6 2HB LYS 6 3.105 -6.654 -7.887 50 1HG LYS 6 1HG LYS 6 1.956 -8.465 -6.663 51 2HG LYS 6 2HG LYS 6 0.439 -8.081 -7.449 52 1HD LYS 6 1HD LYS 6 1.456 -8.633 -9.673 53 2HD LYS 6 2HD LYS 6 2.969 -9.025 -8.881 54 1HE LYS 6 1HE LYS 6 1.817 -10.821 -7.569 55 2HE LYS 6 2HE LYS 6 0.304 -10.429 -8.359 56 1HZ LYS 6 1HZ LYS 6 2.740 -11.344 -9.724 57 2HZ LYS 6 2HZ LYS 6 1.410 -12.248 -9.439 58 3HZ LYS 6 3HZ LYS 6 1.329 -10.978 -10.463 59 H CYS 7 H CYS 7 0.630 -7.261 -4.884 60 HA CYS 7 HA CYS 7 3.023 -7.133 -3.297 61 1HB CYS 7 1HB CYS 7 1.725 -6.408 -1.253 62 2HB CYS 7 2HB CYS 7 2.141 -5.164 -2.415 63 H SER 8 H SER 8 3.022 -8.880 -1.692 64 HA SER 8 HA SER 8 0.899 -10.793 -2.099 65 1HB SER 8 1HB SER 8 2.378 -12.236 -0.587 66 2HB SER 8 2HB SER 8 3.066 -11.791 -2.137 67 HG SER 8 HG SER 8 3.627 -10.595 0.438 68 H GLU 9 H GLU 9 2.025 -8.342 0.182 69 HA GLU 9 HA GLU 9 0.136 -9.227 2.154 70 1HB GLU 9 1HB GLU 9 3.141 -9.393 2.543 71 2HB GLU 9 2HB GLU 9 2.066 -9.193 3.912 72 1HG GLU 9 1HG GLU 9 0.807 -11.252 3.202 73 2HG GLU 9 2HG GLU 9 1.925 -11.460 1.868 74 HE2 GLU 9 HE2 GLU 9 2.948 -12.801 5.410 75 H SER 10 H SER 10 0.387 -7.636 4.218 76 HA SER 10 HA SER 10 -0.329 -5.302 2.761 77 1HB SER 10 1HB SER 10 -0.657 -6.149 5.666 78 2HB SER 10 2HB SER 10 -1.187 -4.582 5.088 79 HG SER 10 HG SER 10 -2.067 -7.146 4.063 80 H TYR 11 H TYR 11 2.161 -6.324 5.109 81 HA TYR 11 HA TYR 11 2.905 -3.684 5.862 82 1HB TYR 11 1HB TYR 11 4.739 -4.984 6.974 83 2HB TYR 11 2HB TYR 11 3.215 -5.819 7.200 84 HD1 TYR 11 HD1 TYR 11 2.943 -8.055 6.483 85 HD2 TYR 11 HD2 TYR 11 6.291 -5.786 5.089 86 HE1 TYR 11 HE1 TYR 11 3.952 -10.155 5.468 87 HE2 TYR 11 HE2 TYR 11 7.290 -7.895 4.079 88 HH TYR 11 HH TYR 11 5.498 -10.941 4.130 89 H GLN 12 H GLN 12 3.365 -5.482 2.987 90 HA GLN 12 HA GLN 12 5.867 -4.333 2.320 91 1HB GLN 12 1HB GLN 12 3.682 -5.551 0.574 92 2HB GLN 12 2HB GLN 12 5.277 -5.110 -0.001 93 1HG GLN 12 1HG GLN 12 6.343 -6.727 1.492 94 2HG GLN 12 2HG GLN 12 4.828 -7.050 2.313 95 1HE2 GLN 12 1HE2 GLN 12 6.464 -8.986 1.113 96 2HE2 GLN 12 2HE2 GLN 12 5.618 -9.729 -0.202 97 H CYS 13 H CYS 13 2.456 -3.362 2.175 98 HA CYS 13 HA CYS 13 2.971 -1.427 0.109 99 1HB CYS 13 1HB CYS 13 0.442 -2.036 1.654 100 2HB CYS 13 2HB CYS 13 0.563 -0.945 0.289 101 H PHE 14 H PHE 14 2.686 -1.662 3.653 102 HA PHE 14 HA PHE 14 1.401 0.752 4.090 103 1HB PHE 14 1HB PHE 14 1.403 -0.585 6.006 104 2HB PHE 14 2HB PHE 14 2.901 -1.371 5.548 105 HD1 PHE 14 HD1 PHE 14 1.867 2.073 6.589 106 HD2 PHE 14 HD2 PHE 14 4.599 -1.137 7.071 107 HE1 PHE 14 HE1 PHE 14 3.092 3.379 8.348 108 HE2 PHE 14 HE2 PHE 14 5.825 0.169 8.831 109 HZ PHE 14 HZ PHE 14 5.055 2.412 9.448 110 HA PRO 15 HA PRO 15 5.760 2.527 4.705 111 1HB PRO 15 1HB PRO 15 7.913 1.165 3.719 112 2HB PRO 15 2HB PRO 15 7.404 1.069 5.393 113 1HG PRO 15 1HG PRO 15 7.066 -0.925 3.237 114 2HG PRO 15 2HG PRO 15 6.959 -1.154 4.971 115 1HD PRO 15 1HD PRO 15 4.772 -0.985 3.124 116 2HD PRO 15 2HD PRO 15 4.663 -1.098 4.869 117 H VAL 16 H VAL 16 5.131 0.788 1.769 118 HA VAL 16 HA VAL 16 6.429 2.599 0.065 119 HB VAL 16 HB VAL 16 4.604 0.328 -0.097 120 1HG1 VAL 16 1HG1 VAL 16 4.366 2.541 -2.160 121 2HG1 VAL 16 2HG1 VAL 16 3.819 0.867 -2.416 122 3HG1 VAL 16 3HG1 VAL 16 3.072 1.864 -1.144 123 1HG2 VAL 16 1HG2 VAL 16 5.990 -0.224 -2.034 124 2HG2 VAL 16 2HG2 VAL 16 6.729 1.394 -1.988 125 3HG2 VAL 16 3HG2 VAL 16 7.005 0.251 -0.652 126 H CYS 17 H CYS 17 3.203 2.529 1.620 127 HA CYS 17 HA CYS 17 2.188 4.626 -0.003 128 1HB CYS 17 1HB CYS 17 1.205 3.349 2.553 129 2HB CYS 17 2HB CYS 17 0.350 4.644 1.737 130 H LYS 18 H LYS 18 3.639 4.269 3.286 131 HA LYS 18 HA LYS 18 3.182 6.901 4.114 132 1HB LYS 18 1HB LYS 18 3.702 5.042 5.632 133 2HB LYS 18 2HB LYS 18 5.316 4.919 4.962 134 1HG LYS 18 1HG LYS 18 5.914 7.135 5.767 135 2HG LYS 18 2HG LYS 18 4.254 7.499 6.194 136 1HD LYS 18 1HD LYS 18 5.444 6.920 8.236 137 2HD LYS 18 2HD LYS 18 4.309 5.630 7.888 138 1HE LYS 18 1HE LYS 18 6.047 4.181 7.048 139 2HE LYS 18 2HE LYS 18 7.200 5.496 6.938 140 1HZ LYS 18 1HZ LYS 18 7.241 5.646 9.296 141 2HZ LYS 18 2HZ LYS 18 6.042 4.551 9.467 142 3HZ LYS 18 3HZ LYS 18 7.498 4.084 8.892 143 H SER 19 H SER 19 5.778 5.357 2.185 144 HA SER 19 HA SER 19 7.465 7.610 2.390 145 1HB SER 19 1HB SER 19 8.410 5.387 2.030 146 2HB SER 19 2HB SER 19 7.487 5.177 0.556 147 HG SER 19 HG SER 19 9.611 7.092 1.014 148 H ARG 20 H ARG 20 5.510 6.163 -0.346 149 HA ARG 20 HA ARG 20 6.556 8.250 -1.988 150 1HB ARG 20 1HB ARG 20 6.348 5.783 -2.675 151 2HB ARG 20 2HB ARG 20 4.613 6.018 -2.758 152 1HG ARG 20 1HG ARG 20 6.209 8.063 -4.228 153 2HG ARG 20 2HG ARG 20 6.350 6.437 -4.863 154 1HD ARG 20 1HD ARG 20 3.872 6.263 -5.029 155 2HD ARG 20 2HD ARG 20 3.696 7.858 -4.327 156 HE ARG 20 HE ARG 20 5.435 8.035 -6.605 157 1HH1 ARG 20 1HH1 ARG 20 2.048 7.528 -5.798 158 2HH1 ARG 20 2HH1 ARG 20 1.464 8.161 -7.302 159 1HH2 ARG 20 1HH2 ARG 20 4.665 8.878 -8.583 160 2HH2 ARG 20 2HH2 ARG 20 2.962 8.941 -8.893 161 H PHE 21 H PHE 21 3.356 7.064 -0.785 162 HA PHE 21 HA PHE 21 2.004 9.097 -2.344 163 1HB PHE 21 1HB PHE 21 1.230 6.742 -0.534 164 2HB PHE 21 2HB PHE 21 0.008 7.829 -1.163 165 HD1 PHE 21 HD1 PHE 21 2.517 5.298 -2.080 166 HD2 PHE 21 HD2 PHE 21 -0.690 7.716 -3.451 167 HE1 PHE 21 HE1 PHE 21 2.398 3.944 -4.190 168 HE2 PHE 21 HE2 PHE 21 -0.808 6.363 -5.562 169 HZ PHE 21 HZ PHE 21 0.738 4.493 -5.906 170 H GLY 22 H GLY 22 3.171 8.533 0.913 171 1HA GLY 22 1HA GLY 22 3.237 9.956 2.667 172 2HA GLY 22 2HA GLY 22 2.407 11.167 1.711 173 H LYS 23 H LYS 23 1.249 7.816 2.364 174 HA LYS 23 HA LYS 23 -1.116 9.033 3.588 175 1HB LYS 23 1HB LYS 23 -0.755 7.037 1.586 176 2HB LYS 23 2HB LYS 23 -1.459 6.250 2.984 177 1HG LYS 23 1HG LYS 23 -3.334 7.061 1.757 178 2HG LYS 23 2HG LYS 23 -3.148 8.205 3.072 179 1HD LYS 23 1HD LYS 23 -1.625 9.538 1.371 180 2HD LYS 23 2HD LYS 23 -2.411 8.557 0.150 181 1HE LYS 23 1HE LYS 23 -3.866 10.306 2.193 182 2HE LYS 23 2HE LYS 23 -3.586 10.741 0.519 183 1HZ LYS 23 1HZ LYS 23 -4.803 8.679 -0.065 184 2HZ LYS 23 2HZ LYS 23 -5.207 8.506 1.509 185 3HZ LYS 23 3HZ LYS 23 -5.720 9.811 0.673 186 H THR 24 H THR 24 -2.181 7.513 5.318 187 HA THR 24 HA THR 24 -0.169 7.489 7.372 188 HB THR 24 HB THR 24 -2.317 6.945 8.745 189 HG1 THR 24 HG1 THR 24 -4.228 7.054 7.443 190 1HG2 THR 24 1HG2 THR 24 -1.499 9.323 8.398 191 2HG2 THR 24 2HG2 THR 24 -2.454 9.385 6.898 192 3HG2 THR 24 3HG2 THR 24 -3.273 9.201 8.467 193 H ASN 25 H ASN 25 -2.072 5.090 5.528 194 HA ASN 25 HA ASN 25 -0.296 3.074 6.483 195 1HB ASN 25 1HB ASN 25 -2.187 3.233 8.228 196 2HB ASN 25 2HB ASN 25 -3.299 2.739 6.968 197 1HD2 ASN 25 1HD2 ASN 25 -3.721 0.962 8.427 198 2HD2 ASN 25 2HD2 ASN 25 -2.724 -0.454 8.393 199 H GLY 26 H GLY 26 -0.697 0.981 5.226 200 1HA GLY 26 1HA GLY 26 -2.556 1.248 2.970 201 2HA GLY 26 2HA GLY 26 -0.854 1.010 2.629 202 H ARG 27 H ARG 27 -3.197 -0.785 2.083 203 HA ARG 27 HA ARG 27 -2.113 -3.093 3.451 204 1HB ARG 27 1HB ARG 27 -5.060 -2.312 3.292 205 2HB ARG 27 2HB ARG 27 -4.559 -3.961 3.612 206 1HG ARG 27 1HG ARG 27 -3.270 -3.194 5.608 207 2HG ARG 27 2HG ARG 27 -3.738 -1.537 5.282 208 1HD ARG 27 1HD ARG 27 -6.161 -2.199 5.528 209 2HD ARG 27 2HD ARG 27 -5.656 -3.830 5.923 210 HE ARG 27 HE ARG 27 -4.240 -2.124 7.675 211 1HH1 ARG 27 1HH1 ARG 27 -7.561 -3.104 7.053 212 2HH1 ARG 27 2HH1 ARG 27 -8.114 -2.703 8.645 213 1HH2 ARG 27 1HH2 ARG 27 -4.970 -1.585 9.775 214 2HH2 ARG 27 2HH2 ARG 27 -6.622 -1.866 10.214 215 H CYS 28 H CYS 28 -2.742 -5.189 2.293 216 HA CYS 28 HA CYS 28 -2.505 -4.606 -0.531 217 1HB CYS 28 1HB CYS 28 -0.910 -6.108 0.738 218 2HB CYS 28 2HB CYS 28 -2.211 -7.277 0.848 219 H VAL 29 H VAL 29 -4.533 -4.307 -1.457 220 HA VAL 29 HA VAL 29 -6.693 -6.055 -0.567 221 HB VAL 29 HB VAL 29 -6.630 -3.541 -2.244 222 1HG1 VAL 29 1HG1 VAL 29 -8.958 -5.289 -1.395 223 2HG1 VAL 29 2HG1 VAL 29 -9.137 -3.615 -1.971 224 3HG1 VAL 29 3HG1 VAL 29 -8.458 -4.859 -3.049 225 1HG2 VAL 29 1HG2 VAL 29 -6.164 -3.142 0.120 226 2HG2 VAL 29 2HG2 VAL 29 -7.777 -2.524 -0.308 227 3HG2 VAL 29 3HG2 VAL 29 -7.619 -4.057 0.581 228 H ASN 30 H ASN 30 -6.761 -7.990 -1.604 229 HA ASN 30 HA ASN 30 -6.870 -9.447 -3.207 230 1HB ASN 30 1HB ASN 30 -7.678 -7.033 -4.913 231 2HB ASN 30 2HB ASN 30 -7.889 -8.700 -5.410 232 1HD2 ASN 30 1HD2 ASN 30 -9.151 -10.113 -3.980 233 2HD2 ASN 30 2HD2 ASN 30 -10.521 -9.469 -3.141 234 H GLY 31 H GLY 31 -4.253 -8.222 -2.754 235 1HA GLY 31 1HA GLY 31 -2.295 -9.015 -3.641 236 2HA GLY 31 2HA GLY 31 -3.091 -9.330 -5.171 237 H PHE 32 H PHE 32 -3.958 -6.212 -4.074 238 HA PHE 32 HA PHE 32 -1.622 -4.966 -5.300 239 1HB PHE 32 1HB PHE 32 -4.602 -4.625 -5.971 240 2HB PHE 32 2HB PHE 32 -3.407 -3.440 -6.459 241 HD1 PHE 32 HD1 PHE 32 -5.084 -6.408 -7.379 242 HD2 PHE 32 HD2 PHE 32 -1.408 -4.345 -7.871 243 HE1 PHE 32 HE1 PHE 32 -4.619 -7.732 -9.459 244 HE2 PHE 32 HE2 PHE 32 -0.943 -5.670 -9.951 245 HZ PHE 32 HZ PHE 32 -2.554 -7.347 -10.721 246 H CYS 33 H CYS 33 -1.225 -2.785 -4.576 247 HA CYS 33 HA CYS 33 -1.864 -2.685 -1.831 248 1HB CYS 33 1HB CYS 33 -0.329 -0.795 -3.622 249 2HB CYS 33 2HB CYS 33 -0.497 -0.572 -1.891 250 H ASP 34 H ASP 34 -3.238 -1.202 -0.715 251 HA ASP 34 HA ASP 34 -4.407 0.869 -2.392 252 1HB ASP 34 1HB ASP 34 -6.096 -0.910 -1.856 253 2HB ASP 34 2HB ASP 34 -5.798 -0.668 -0.146 254 HD2 ASP 34 HD2 ASP 34 -7.583 2.397 -0.130 255 H CYS 35 H CYS 35 -4.094 2.930 -1.480 256 HA CYS 35 HA CYS 35 -2.838 2.924 1.153 257 1HB CYS 35 1HB CYS 35 -2.763 5.022 -1.025 258 2HB CYS 35 2HB CYS 35 -1.926 5.112 0.513 259 H PHE 36 H PHE 36 -3.673 4.268 2.826 260 HA PHE 36 HA PHE 36 -5.722 6.170 2.211 261 1HB PHE 36 1HB PHE 36 -7.365 5.009 3.765 262 2HB PHE 36 2HB PHE 36 -7.028 4.056 2.334 263 HD1 PHE 36 HD1 PHE 36 -5.689 2.016 2.484 264 HD2 PHE 36 HD2 PHE 36 -6.605 4.289 5.948 265 HE1 PHE 36 HE1 PHE 36 -5.023 0.077 3.932 266 HE2 PHE 36 HE2 PHE 36 -5.939 2.351 7.397 267 HZ PHE 36 HZ PHE 36 -5.155 0.268 6.372 Start of MODEL 13 1 1H ARG 1 1H ARG 1 -6.286 5.010 -1.656 2 2H ARG 1 2H ARG 1 -7.903 5.264 -1.402 3 3H ARG 1 3H ARG 1 -7.236 3.783 -1.077 4 HA ARG 1 HA ARG 1 -8.507 3.776 -3.022 5 1HB ARG 1 1HB ARG 1 -6.534 5.956 -3.781 6 2HB ARG 1 2HB ARG 1 -7.244 4.966 -5.042 7 1HG ARG 1 1HG ARG 1 -9.540 5.560 -4.169 8 2HG ARG 1 2HG ARG 1 -8.791 6.610 -2.982 9 1HD ARG 1 1HD ARG 1 -7.749 7.951 -4.825 10 2HD ARG 1 2HD ARG 1 -8.493 6.900 -6.013 11 HE ARG 1 HE ARG 1 -10.546 7.866 -4.273 12 1HH1 ARG 1 1HH1 ARG 1 -8.351 9.054 -6.754 13 2HH1 ARG 1 2HH1 ARG 1 -9.403 10.337 -7.251 14 1HH2 ARG 1 1HH2 ARG 1 -11.933 9.559 -4.927 15 2HH2 ARG 1 2HH2 ARG 1 -11.453 10.627 -6.203 16 HA PRO 2 HA PRO 2 -5.599 0.726 -4.218 17 1HB PRO 2 1HB PRO 2 -6.707 -0.216 -6.531 18 2HB PRO 2 2HB PRO 2 -7.251 -0.706 -4.940 19 1HG PRO 2 1HG PRO 2 -8.543 1.141 -6.851 20 2HG PRO 2 2HG PRO 2 -9.248 0.318 -5.474 21 1HD PRO 2 1HD PRO 2 -8.483 3.079 -5.616 22 2HD PRO 2 2HD PRO 2 -9.080 2.227 -4.205 23 H THR 3 H THR 3 -3.911 0.052 -5.710 24 HA THR 3 HA THR 3 -3.395 2.138 -7.708 25 HB THR 3 HB THR 3 -1.118 2.386 -6.893 26 HG1 THR 3 HG1 THR 3 -1.967 0.275 -5.037 27 1HG2 THR 3 1HG2 THR 3 -2.876 3.547 -5.445 28 2HG2 THR 3 2HG2 THR 3 -2.851 2.118 -4.384 29 3HG2 THR 3 3HG2 THR 3 -1.388 3.113 -4.570 30 H ASP 4 H ASP 4 -0.882 1.093 -8.542 31 HA ASP 4 HA ASP 4 -1.999 -1.187 -9.940 32 1HB ASP 4 1HB ASP 4 -0.311 -0.700 -11.668 33 2HB ASP 4 2HB ASP 4 -1.238 0.742 -11.304 34 HD2 ASP 4 HD2 ASP 4 1.595 2.211 -9.654 35 H ILE 5 H ILE 5 -0.028 -0.493 -7.313 36 HA ILE 5 HA ILE 5 2.244 -2.106 -8.015 37 HB ILE 5 HB ILE 5 1.445 -0.671 -5.481 38 1HG1 ILE 5 1HG1 ILE 5 3.573 0.053 -7.512 39 2HG1 ILE 5 2HG1 ILE 5 1.948 0.709 -7.539 40 1HG2 ILE 5 1HG2 ILE 5 3.720 -1.062 -4.701 41 2HG2 ILE 5 2HG2 ILE 5 2.868 -2.602 -4.973 42 3HG2 ILE 5 3HG2 ILE 5 4.070 -2.029 -6.154 43 1HD1 ILE 5 1HD1 ILE 5 3.264 2.302 -6.327 44 2HD1 ILE 5 2HD1 ILE 5 2.333 1.424 -5.089 45 3HD1 ILE 5 3HD1 ILE 5 4.047 1.029 -5.359 46 H LYS 6 H LYS 6 2.319 -4.276 -7.860 47 HA LYS 6 HA LYS 6 0.163 -5.630 -6.532 48 1HB LYS 6 1HB LYS 6 2.540 -6.537 -8.166 49 2HB LYS 6 2HB LYS 6 1.466 -7.669 -7.371 50 1HG LYS 6 1HG LYS 6 -0.488 -6.631 -8.569 51 2HG LYS 6 2HG LYS 6 0.610 -5.540 -9.389 52 1HD LYS 6 1HD LYS 6 0.371 -7.266 -10.970 53 2HD LYS 6 2HD LYS 6 1.861 -7.716 -10.165 54 1HE LYS 6 1HE LYS 6 0.564 -9.729 -10.254 55 2HE LYS 6 2HE LYS 6 0.443 -9.180 -8.594 56 1HZ LYS 6 1HZ LYS 6 -1.552 -8.440 -10.607 57 2HZ LYS 6 2HZ LYS 6 -1.675 -9.812 -9.730 58 3HZ LYS 6 3HZ LYS 6 -1.687 -8.361 -8.982 59 H CYS 7 H CYS 7 0.459 -7.251 -4.836 60 HA CYS 7 HA CYS 7 2.933 -7.196 -3.398 61 1HB CYS 7 1HB CYS 7 1.773 -6.478 -1.254 62 2HB CYS 7 2HB CYS 7 2.208 -5.230 -2.403 63 H SER 8 H SER 8 2.943 -8.929 -1.747 64 HA SER 8 HA SER 8 0.762 -10.793 -2.102 65 1HB SER 8 1HB SER 8 2.213 -12.389 -0.900 66 2HB SER 8 2HB SER 8 3.065 -11.666 -2.249 67 HG SER 8 HG SER 8 3.718 -11.628 0.404 68 H GLU 9 H GLU 9 1.967 -8.347 0.110 69 HA GLU 9 HA GLU 9 0.231 -9.272 2.201 70 1HB GLU 9 1HB GLU 9 3.139 -9.769 2.187 71 2HB GLU 9 2HB GLU 9 2.614 -8.906 3.619 72 1HG GLU 9 1HG GLU 9 2.251 -11.095 4.323 73 2HG GLU 9 2HG GLU 9 0.673 -10.734 3.652 74 HE2 GLU 9 HE2 GLU 9 0.056 -11.914 1.961 75 H SER 10 H SER 10 0.454 -7.672 4.197 76 HA SER 10 HA SER 10 -0.208 -5.282 2.805 77 1HB SER 10 1HB SER 10 -0.485 -6.109 5.726 78 2HB SER 10 2HB SER 10 -1.068 -4.580 5.098 79 HG SER 10 HG SER 10 -1.890 -7.202 4.174 80 H TYR 11 H TYR 11 2.309 -6.450 5.038 81 HA TYR 11 HA TYR 11 3.172 -3.894 5.895 82 1HB TYR 11 1HB TYR 11 4.926 -5.263 6.914 83 2HB TYR 11 2HB TYR 11 3.495 -6.275 6.913 84 HD1 TYR 11 HD1 TYR 11 6.693 -5.618 5.132 85 HD2 TYR 11 HD2 TYR 11 3.443 -8.338 5.721 86 HE1 TYR 11 HE1 TYR 11 7.959 -7.418 3.859 87 HE2 TYR 11 HE2 TYR 11 4.720 -10.129 4.445 88 HH TYR 11 HH TYR 11 7.958 -9.448 3.140 89 H GLN 12 H GLN 12 3.483 -5.584 2.901 90 HA GLN 12 HA GLN 12 5.951 -4.419 2.163 91 1HB GLN 12 1HB GLN 12 3.696 -5.603 0.485 92 2HB GLN 12 2HB GLN 12 5.259 -5.137 -0.155 93 1HG GLN 12 1HG GLN 12 6.413 -6.805 1.149 94 2HG GLN 12 2HG GLN 12 5.019 -7.083 2.173 95 1HE2 GLN 12 1HE2 GLN 12 6.015 -9.263 1.227 96 2HE2 GLN 12 2HE2 GLN 12 5.068 -9.953 -0.048 97 H CYS 13 H CYS 13 2.526 -3.451 2.114 98 HA CYS 13 HA CYS 13 3.005 -1.490 0.063 99 1HB CYS 13 1HB CYS 13 0.495 -2.148 1.619 100 2HB CYS 13 2HB CYS 13 0.593 -1.034 0.270 101 H PHE 14 H PHE 14 2.745 -1.759 3.609 102 HA PHE 14 HA PHE 14 1.400 0.621 4.056 103 1HB PHE 14 1HB PHE 14 1.416 -0.750 5.950 104 2HB PHE 14 2HB PHE 14 2.952 -1.473 5.512 105 HD1 PHE 14 HD1 PHE 14 4.628 -1.177 7.050 106 HD2 PHE 14 HD2 PHE 14 1.750 1.906 6.585 107 HE1 PHE 14 HE1 PHE 14 5.769 0.159 8.843 108 HE2 PHE 14 HE2 PHE 14 2.890 3.242 8.377 109 HZ PHE 14 HZ PHE 14 4.886 2.353 9.485 110 HA PRO 15 HA PRO 15 5.720 2.487 4.695 111 1HB PRO 15 1HB PRO 15 7.902 1.176 3.700 112 2HB PRO 15 2HB PRO 15 7.398 1.063 5.374 113 1HG PRO 15 1HG PRO 15 7.099 -0.929 3.210 114 2HG PRO 15 2HG PRO 15 7.000 -1.167 4.944 115 1HD PRO 15 1HD PRO 15 4.806 -1.038 3.100 116 2HD PRO 15 2HD PRO 15 4.703 -1.161 4.846 117 H VAL 16 H VAL 16 5.277 0.693 1.733 118 HA VAL 16 HA VAL 16 6.438 2.554 0.027 119 HB VAL 16 HB VAL 16 4.620 0.270 -0.111 120 1HG1 VAL 16 1HG1 VAL 16 3.082 1.794 -1.158 121 2HG1 VAL 16 2HG1 VAL 16 4.373 2.485 -2.170 122 3HG1 VAL 16 3HG1 VAL 16 3.836 0.809 -2.434 123 1HG2 VAL 16 1HG2 VAL 16 7.021 0.192 -0.673 124 2HG2 VAL 16 2HG2 VAL 16 6.001 -0.290 -2.049 125 3HG2 VAL 16 3HG2 VAL 16 6.739 1.329 -2.012 126 H CYS 17 H CYS 17 3.227 2.426 1.621 127 HA CYS 17 HA CYS 17 2.157 4.482 -0.017 128 1HB CYS 17 1HB CYS 17 1.201 3.190 2.540 129 2HB CYS 17 2HB CYS 17 0.311 4.452 1.713 130 H LYS 18 H LYS 18 3.583 4.188 3.291 131 HA LYS 18 HA LYS 18 2.945 6.799 4.093 132 1HB LYS 18 1HB LYS 18 3.476 4.883 5.599 133 2HB LYS 18 2HB LYS 18 5.153 4.983 5.103 134 1HG LYS 18 1HG LYS 18 5.328 7.283 5.968 135 2HG LYS 18 2HG LYS 18 3.614 7.317 6.333 136 1HD LYS 18 1HD LYS 18 3.892 5.510 8.000 137 2HD LYS 18 2HD LYS 18 5.585 5.345 7.583 138 1HE LYS 18 1HE LYS 18 5.492 6.695 9.587 139 2HE LYS 18 2HE LYS 18 5.926 7.773 8.275 140 1HZ LYS 18 1HZ LYS 18 3.156 7.400 9.169 141 2HZ LYS 18 2HZ LYS 18 4.132 8.571 9.755 142 3HZ LYS 18 3HZ LYS 18 3.727 8.560 8.173 143 H SER 19 H SER 19 5.672 5.366 2.282 144 HA SER 19 HA SER 19 7.255 7.701 2.580 145 1HB SER 19 1HB SER 19 8.319 5.508 2.338 146 2HB SER 19 2HB SER 19 7.526 5.242 0.799 147 HG SER 19 HG SER 19 9.519 7.256 1.399 148 H ARG 20 H ARG 20 5.537 6.095 -0.227 149 HA ARG 20 HA ARG 20 6.613 8.170 -1.865 150 1HB ARG 20 1HB ARG 20 6.549 5.683 -2.489 151 2HB ARG 20 2HB ARG 20 4.814 5.834 -2.679 152 1HG ARG 20 1HG ARG 20 6.387 7.914 -4.121 153 2HG ARG 20 2HG ARG 20 6.665 6.278 -4.688 154 1HD ARG 20 1HD ARG 20 4.222 5.946 -5.012 155 2HD ARG 20 2HD ARG 20 3.899 7.544 -4.368 156 HE ARG 20 HE ARG 20 5.768 7.782 -6.531 157 1HH1 ARG 20 1HH1 ARG 20 2.378 7.048 -5.942 158 2HH1 ARG 20 2HH1 ARG 20 1.856 7.599 -7.499 159 1HH2 ARG 20 1HH2 ARG 20 5.079 8.519 -8.582 160 2HH2 ARG 20 2HH2 ARG 20 3.402 8.447 -9.008 161 H PHE 21 H PHE 21 3.396 6.921 -0.795 162 HA PHE 21 HA PHE 21 2.060 8.848 -2.497 163 1HB PHE 21 1HB PHE 21 1.263 6.540 -0.636 164 2HB PHE 21 2HB PHE 21 0.047 7.557 -1.383 165 HD1 PHE 21 HD1 PHE 21 -0.545 7.290 -3.678 166 HD2 PHE 21 HD2 PHE 21 2.718 5.109 -2.063 167 HE1 PHE 21 HE1 PHE 21 -0.496 5.844 -5.729 168 HE2 PHE 21 HE2 PHE 21 2.767 3.664 -4.115 169 HZ PHE 21 HZ PHE 21 1.160 4.048 -5.923 170 H GLY 22 H GLY 22 3.055 8.415 0.845 171 1HA GLY 22 1HA GLY 22 3.116 9.990 2.468 172 2HA GLY 22 2HA GLY 22 2.297 11.118 1.406 173 H LYS 23 H LYS 23 1.238 7.827 2.494 174 HA LYS 23 HA LYS 23 -1.179 9.132 3.531 175 1HB LYS 23 1HB LYS 23 -0.764 6.899 1.729 176 2HB LYS 23 2HB LYS 23 -1.682 6.391 3.133 177 1HG LYS 23 1HG LYS 23 -3.210 7.229 1.391 178 2HG LYS 23 2HG LYS 23 -3.275 8.275 2.795 179 1HD LYS 23 1HD LYS 23 -2.187 10.038 1.718 180 2HD LYS 23 2HD LYS 23 -1.266 8.979 0.669 181 1HE LYS 23 1HE LYS 23 -4.284 9.184 0.374 182 2HE LYS 23 2HE LYS 23 -3.239 10.385 -0.359 183 1HZ LYS 23 1HZ LYS 23 -2.114 8.635 -1.530 184 2HZ LYS 23 2HZ LYS 23 -3.031 7.490 -0.814 185 3HZ LYS 23 3HZ LYS 23 -3.714 8.557 -1.843 186 H THR 24 H THR 24 -2.276 7.612 5.289 187 HA THR 24 HA THR 24 -0.314 7.648 7.395 188 HB THR 24 HB THR 24 -2.478 7.097 8.728 189 HG1 THR 24 HG1 THR 24 -4.367 7.152 7.385 190 1HG2 THR 24 1HG2 THR 24 -1.702 9.485 8.343 191 2HG2 THR 24 2HG2 THR 24 -2.637 9.496 6.829 192 3HG2 THR 24 3HG2 THR 24 -3.474 9.326 8.390 193 H ASN 25 H ASN 25 -2.083 5.215 5.484 194 HA ASN 25 HA ASN 25 -0.365 3.218 6.579 195 1HB ASN 25 1HB ASN 25 -2.353 3.374 8.196 196 2HB ASN 25 2HB ASN 25 -3.397 2.902 6.871 197 1HD2 ASN 25 1HD2 ASN 25 -3.985 1.082 8.125 198 2HD2 ASN 25 2HD2 ASN 25 -2.999 -0.341 8.167 199 H GLY 26 H GLY 26 -0.728 1.082 5.345 200 1HA GLY 26 1HA GLY 26 -2.422 1.379 2.951 201 2HA GLY 26 2HA GLY 26 -0.739 0.919 2.784 202 H ARG 27 H ARG 27 -2.861 -0.760 1.909 203 HA ARG 27 HA ARG 27 -2.314 -3.034 3.548 204 1HB ARG 27 1HB ARG 27 -4.437 -1.919 4.492 205 2HB ARG 27 2HB ARG 27 -5.222 -2.291 2.970 206 1HG ARG 27 1HG ARG 27 -4.835 -4.704 3.302 207 2HG ARG 27 2HG ARG 27 -3.895 -4.390 4.748 208 1HD ARG 27 1HD ARG 27 -6.855 -3.703 4.394 209 2HD ARG 27 2HD ARG 27 -6.238 -5.078 5.289 210 HE ARG 27 HE ARG 27 -6.342 -2.332 6.215 211 1HH1 ARG 27 1HH1 ARG 27 -4.677 -5.406 6.588 212 2HH1 ARG 27 2HH1 ARG 27 -3.919 -4.964 8.080 213 1HH2 ARG 27 1HH2 ARG 27 -5.319 -1.732 8.174 214 2HH2 ARG 27 2HH2 ARG 27 -4.328 -2.877 9.014 215 H CYS 28 H CYS 28 -2.593 -5.035 2.361 216 HA CYS 28 HA CYS 28 -2.540 -4.556 -0.477 217 1HB CYS 28 1HB CYS 28 -0.880 -5.991 0.803 218 2HB CYS 28 2HB CYS 28 -2.153 -7.185 0.958 219 H VAL 29 H VAL 29 -4.643 -4.265 -1.262 220 HA VAL 29 HA VAL 29 -6.675 -6.158 -0.356 221 HB VAL 29 HB VAL 29 -6.834 -3.564 -1.902 222 1HG1 VAL 29 1HG1 VAL 29 -9.308 -3.782 -1.499 223 2HG1 VAL 29 2HG1 VAL 29 -8.637 -4.960 -2.652 224 3HG1 VAL 29 3HG1 VAL 29 -9.018 -5.461 -0.987 225 1HG2 VAL 29 1HG2 VAL 29 -7.574 -4.268 0.958 226 2HG2 VAL 29 2HG2 VAL 29 -6.251 -3.203 0.425 227 3HG2 VAL 29 3HG2 VAL 29 -7.943 -2.721 0.156 228 H ASN 30 H ASN 30 -6.779 -8.020 -1.511 229 HA ASN 30 HA ASN 30 -7.077 -9.345 -3.200 230 1HB ASN 30 1HB ASN 30 -7.668 -6.826 -4.843 231 2HB ASN 30 2HB ASN 30 -8.123 -8.458 -5.289 232 1HD2 ASN 30 1HD2 ASN 30 -9.953 -6.411 -5.071 233 2HD2 ASN 30 2HD2 ASN 30 -11.025 -6.684 -3.739 234 H GLY 31 H GLY 31 -4.384 -8.184 -2.700 235 1HA GLY 31 1HA GLY 31 -2.419 -8.920 -3.603 236 2HA GLY 31 2HA GLY 31 -3.226 -9.273 -5.118 237 H PHE 32 H PHE 32 -4.071 -6.138 -3.963 238 HA PHE 32 HA PHE 32 -1.787 -4.911 -5.316 239 1HB PHE 32 1HB PHE 32 -4.797 -4.615 -5.738 240 2HB PHE 32 2HB PHE 32 -3.767 -3.232 -6.049 241 HD1 PHE 32 HD1 PHE 32 -4.828 -6.498 -7.227 242 HD2 PHE 32 HD2 PHE 32 -2.100 -3.312 -7.869 243 HE1 PHE 32 HE1 PHE 32 -4.344 -7.377 -9.527 244 HE2 PHE 32 HE2 PHE 32 -1.615 -4.191 -10.169 245 HZ PHE 32 HZ PHE 32 -2.742 -6.213 -10.971 246 H CYS 33 H CYS 33 -1.265 -2.757 -4.572 247 HA CYS 33 HA CYS 33 -1.741 -2.600 -1.779 248 1HB CYS 33 1HB CYS 33 -0.190 -0.848 -3.690 249 2HB CYS 33 2HB CYS 33 -0.288 -0.544 -1.967 250 H ASP 34 H ASP 34 -3.149 -1.204 -0.682 251 HA ASP 34 HA ASP 34 -4.401 0.845 -2.333 252 1HB ASP 34 1HB ASP 34 -5.987 -0.975 -1.636 253 2HB ASP 34 2HB ASP 34 -5.601 -0.654 0.043 254 HD2 ASP 34 HD2 ASP 34 -8.000 -0.618 -1.063 255 H CYS 35 H CYS 35 -4.100 2.946 -1.508 256 HA CYS 35 HA CYS 35 -2.711 3.041 1.067 257 1HB CYS 35 1HB CYS 35 -2.500 4.925 -1.291 258 2HB CYS 35 2HB CYS 35 -1.653 5.099 0.233 259 H PHE 36 H PHE 36 -3.566 4.376 2.681 260 HA PHE 36 HA PHE 36 -5.535 6.352 2.014 261 1HB PHE 36 1HB PHE 36 -7.242 5.160 3.520 262 2HB PHE 36 2HB PHE 36 -6.930 4.322 2.014 263 HD1 PHE 36 HD1 PHE 36 -6.489 4.240 5.636 264 HD2 PHE 36 HD2 PHE 36 -5.686 2.225 1.989 265 HE1 PHE 36 HE1 PHE 36 -5.893 2.164 6.915 266 HE2 PHE 36 HE2 PHE 36 -5.090 0.148 3.268 267 HZ PHE 36 HZ PHE 36 -5.201 0.142 5.716 Start of MODEL 14 1 1H ARG 1 1H ARG 1 -6.532 3.841 -1.028 2 2H ARG 1 2H ARG 1 -8.051 4.378 -0.643 3 3H ARG 1 3H ARG 1 -7.695 2.763 -0.552 4 HA ARG 1 HA ARG 1 -8.839 2.849 -2.397 5 1HB ARG 1 1HB ARG 1 -7.731 5.599 -2.546 6 2HB ARG 1 2HB ARG 1 -7.824 4.818 -4.113 7 1HG ARG 1 1HG ARG 1 -9.928 5.986 -3.708 8 2HG ARG 1 2HG ARG 1 -10.237 4.261 -3.673 9 1HD ARG 1 1HD ARG 1 -11.382 5.394 -1.787 10 2HD ARG 1 2HD ARG 1 -10.180 4.268 -1.191 11 HE ARG 1 HE ARG 1 -9.148 6.991 -1.554 12 1HH1 ARG 1 1HH1 ARG 1 -11.092 5.057 0.634 13 2HH1 ARG 1 2HH1 ARG 1 -10.405 5.742 2.069 14 1HH2 ARG 1 1HH2 ARG 1 -8.222 7.901 0.343 15 2HH2 ARG 1 2HH2 ARG 1 -8.828 7.438 1.897 16 HA PRO 2 HA PRO 2 -5.942 0.470 -4.201 17 1HB PRO 2 1HB PRO 2 -6.958 -0.173 -6.656 18 2HB PRO 2 2HB PRO 2 -7.582 -0.833 -5.158 19 1HG PRO 2 1HG PRO 2 -8.754 1.251 -6.896 20 2HG PRO 2 2HG PRO 2 -9.535 0.288 -5.657 21 1HD PRO 2 1HD PRO 2 -8.721 3.031 -5.441 22 2HD PRO 2 2HD PRO 2 -9.394 2.034 -4.167 23 H THR 3 H THR 3 -4.116 0.010 -5.537 24 HA THR 3 HA THR 3 -3.626 2.133 -7.506 25 HB THR 3 HB THR 3 -1.381 2.445 -6.652 26 HG1 THR 3 HG1 THR 3 -2.164 0.221 -4.900 27 1HG2 THR 3 1HG2 THR 3 -1.686 3.092 -4.314 28 2HG2 THR 3 2HG2 THR 3 -3.199 3.477 -5.169 29 3HG2 THR 3 3HG2 THR 3 -3.097 2.018 -4.154 30 H ASP 4 H ASP 4 -1.076 1.155 -8.316 31 HA ASP 4 HA ASP 4 -2.101 -1.170 -9.720 32 1HB ASP 4 1HB ASP 4 -0.445 -0.610 -11.457 33 2HB ASP 4 2HB ASP 4 -1.441 0.786 -11.097 34 HD2 ASP 4 HD2 ASP 4 1.333 2.381 -9.442 35 H ILE 5 H ILE 5 -0.190 -0.397 -7.084 36 HA ILE 5 HA ILE 5 2.222 -1.762 -7.803 37 HB ILE 5 HB ILE 5 1.238 -0.552 -5.219 38 1HG1 ILE 5 1HG1 ILE 5 3.355 0.502 -7.103 39 2HG1 ILE 5 2HG1 ILE 5 1.666 0.943 -7.247 40 1HG2 ILE 5 1HG2 ILE 5 2.837 -2.344 -4.760 41 2HG2 ILE 5 2HG2 ILE 5 3.992 -1.617 -5.904 42 3HG2 ILE 5 3HG2 ILE 5 3.540 -0.744 -4.420 43 1HD1 ILE 5 1HD1 ILE 5 2.727 2.642 -5.896 44 2HD1 ILE 5 2HD1 ILE 5 1.730 1.660 -4.796 45 3HD1 ILE 5 3HD1 ILE 5 3.493 1.419 -4.855 46 H LYS 6 H LYS 6 2.579 -3.910 -7.693 47 HA LYS 6 HA LYS 6 0.497 -5.566 -6.640 48 1HB LYS 6 1HB LYS 6 3.140 -6.136 -8.001 49 2HB LYS 6 2HB LYS 6 2.074 -7.402 -7.424 50 1HG LYS 6 1HG LYS 6 0.544 -5.433 -8.945 51 2HG LYS 6 2HG LYS 6 1.907 -5.990 -9.895 52 1HD LYS 6 1HD LYS 6 0.048 -7.487 -10.336 53 2HD LYS 6 2HD LYS 6 1.230 -8.375 -9.396 54 1HE LYS 6 1HE LYS 6 -0.059 -8.121 -7.356 55 2HE LYS 6 2HE LYS 6 -1.115 -6.931 -8.089 56 1HZ LYS 6 1HZ LYS 6 -2.134 -9.090 -8.031 57 2HZ LYS 6 2HZ LYS 6 -1.906 -8.637 -9.584 58 3HZ LYS 6 3HZ LYS 6 -0.919 -9.747 -8.904 59 H CYS 7 H CYS 7 0.636 -7.035 -4.879 60 HA CYS 7 HA CYS 7 3.035 -7.044 -3.311 61 1HB CYS 7 1HB CYS 7 1.810 -6.370 -1.214 62 2HB CYS 7 2HB CYS 7 2.227 -5.084 -2.330 63 H SER 8 H SER 8 2.885 -8.779 -1.621 64 HA SER 8 HA SER 8 0.686 -10.594 -2.168 65 1HB SER 8 1HB SER 8 2.057 -12.308 -1.058 66 2HB SER 8 2HB SER 8 2.976 -11.526 -2.329 67 HG SER 8 HG SER 8 4.109 -10.293 -0.773 68 H GLU 9 H GLU 9 1.853 -8.234 0.107 69 HA GLU 9 HA GLU 9 0.085 -9.186 2.156 70 1HB GLU 9 1HB GLU 9 2.906 -9.858 2.164 71 2HB GLU 9 2HB GLU 9 2.572 -8.786 3.509 72 1HG GLU 9 1HG GLU 9 0.727 -11.130 2.957 73 2HG GLU 9 2HG GLU 9 2.240 -11.393 3.802 74 HE2 GLU 9 HE2 GLU 9 -0.521 -9.080 5.612 75 H SER 10 H SER 10 0.216 -7.604 4.149 76 HA SER 10 HA SER 10 -0.348 -5.188 2.765 77 1HB SER 10 1HB SER 10 -0.765 -6.086 5.645 78 2HB SER 10 2HB SER 10 -1.247 -4.502 5.071 79 HG SER 10 HG SER 10 -2.170 -7.044 4.027 80 H TYR 11 H TYR 11 2.082 -6.425 5.048 81 HA TYR 11 HA TYR 11 2.941 -3.874 5.961 82 1HB TYR 11 1HB TYR 11 4.610 -5.277 7.079 83 2HB TYR 11 2HB TYR 11 3.151 -6.247 7.021 84 HD1 TYR 11 HD1 TYR 11 3.099 -8.328 5.865 85 HD2 TYR 11 HD2 TYR 11 6.443 -5.704 5.377 86 HE1 TYR 11 HE1 TYR 11 4.382 -10.172 4.674 87 HE2 TYR 11 HE2 TYR 11 7.715 -7.557 4.188 88 HH TYR 11 HH TYR 11 6.205 -10.736 3.674 89 H GLN 12 H GLN 12 3.367 -5.595 2.997 90 HA GLN 12 HA GLN 12 5.862 -4.435 2.351 91 1HB GLN 12 1HB GLN 12 3.653 -5.547 0.563 92 2HB GLN 12 2HB GLN 12 5.265 -5.130 0.015 93 1HG GLN 12 1HG GLN 12 6.212 -6.777 1.690 94 2HG GLN 12 2HG GLN 12 4.577 -7.241 2.113 95 1HE2 GLN 12 1HE2 GLN 12 7.116 -7.394 -0.223 96 2HE2 GLN 12 2HE2 GLN 12 6.423 -8.575 -1.284 97 H CYS 13 H CYS 13 2.457 -3.416 2.257 98 HA CYS 13 HA CYS 13 2.978 -1.486 0.190 99 1HB CYS 13 1HB CYS 13 0.454 -2.121 1.732 100 2HB CYS 13 2HB CYS 13 0.562 -0.988 0.400 101 H PHE 14 H PHE 14 2.542 -1.690 3.746 102 HA PHE 14 HA PHE 14 1.299 0.757 4.072 103 1HB PHE 14 1HB PHE 14 1.163 -0.548 6.005 104 2HB PHE 14 2HB PHE 14 2.669 -1.370 5.647 105 HD1 PHE 14 HD1 PHE 14 1.642 2.108 6.575 106 HD2 PHE 14 HD2 PHE 14 4.283 -1.141 7.260 107 HE1 PHE 14 HE1 PHE 14 2.788 3.422 8.381 108 HE2 PHE 14 HE2 PHE 14 5.430 0.172 9.067 109 HZ PHE 14 HZ PHE 14 4.669 2.438 9.606 110 HA PRO 15 HA PRO 15 5.654 2.455 4.899 111 1HB PRO 15 1HB PRO 15 7.829 1.030 4.059 112 2HB PRO 15 2HB PRO 15 7.227 0.980 5.704 113 1HG PRO 15 1HG PRO 15 6.965 -1.051 3.571 114 2HG PRO 15 2HG PRO 15 6.758 -1.243 5.301 115 1HD PRO 15 1HD PRO 15 4.679 -1.067 3.333 116 2HD PRO 15 2HD PRO 15 4.473 -1.142 5.072 117 H VAL 16 H VAL 16 5.097 0.693 1.971 118 HA VAL 16 HA VAL 16 6.719 2.358 0.367 119 HB VAL 16 HB VAL 16 5.067 0.033 0.114 120 1HG1 VAL 16 1HG1 VAL 16 4.197 0.422 -2.181 121 2HG1 VAL 16 2HG1 VAL 16 3.400 1.438 -0.956 122 3HG1 VAL 16 3HG1 VAL 16 4.633 2.141 -2.029 123 1HG2 VAL 16 1HG2 VAL 16 6.502 -0.389 -1.833 124 2HG2 VAL 16 2HG2 VAL 16 7.091 1.289 -1.771 125 3HG2 VAL 16 3HG2 VAL 16 7.456 0.168 -0.437 126 H CYS 17 H CYS 17 3.325 2.442 1.489 127 HA CYS 17 HA CYS 17 2.564 4.430 -0.388 128 1HB CYS 17 1HB CYS 17 1.245 3.391 2.125 129 2HB CYS 17 2HB CYS 17 0.524 4.599 1.079 130 H LYS 18 H LYS 18 3.672 4.291 3.038 131 HA LYS 18 HA LYS 18 3.086 7.012 3.565 132 1HB LYS 18 1HB LYS 18 3.234 5.114 5.239 133 2HB LYS 18 2HB LYS 18 4.976 5.193 5.076 134 1HG LYS 18 1HG LYS 18 5.024 7.507 5.857 135 2HG LYS 18 2HG LYS 18 3.277 7.622 5.794 136 1HD LYS 18 1HD LYS 18 3.165 5.756 7.532 137 2HD LYS 18 2HD LYS 18 4.909 5.850 7.669 138 1HE LYS 18 1HE LYS 18 4.166 7.261 9.417 139 2HE LYS 18 2HE LYS 18 4.558 8.395 8.138 140 1HZ LYS 18 1HZ LYS 18 1.861 7.334 8.626 141 2HZ LYS 18 2HZ LYS 18 2.392 8.788 9.145 142 3HZ LYS 18 3HZ LYS 18 2.263 8.489 7.545 143 H SER 19 H SER 19 5.816 5.228 2.173 144 HA SER 19 HA SER 19 7.604 7.407 2.427 145 1HB SER 19 1HB SER 19 8.447 5.113 2.256 146 2HB SER 19 2HB SER 19 7.660 4.891 0.706 147 HG SER 19 HG SER 19 9.930 5.376 0.463 148 H ARG 20 H ARG 20 5.554 6.004 -0.221 149 HA ARG 20 HA ARG 20 6.748 7.744 -2.104 150 1HB ARG 20 1HB ARG 20 6.009 5.464 -2.738 151 2HB ARG 20 2HB ARG 20 4.354 5.848 -2.308 152 1HG ARG 20 1HG ARG 20 4.600 6.029 -4.735 153 2HG ARG 20 2HG ARG 20 4.318 7.629 -4.077 154 1HD ARG 20 1HD ARG 20 7.191 6.788 -4.289 155 2HD ARG 20 2HD ARG 20 6.357 7.057 -5.807 156 HE ARG 20 HE ARG 20 7.166 9.091 -3.912 157 1HH1 ARG 20 1HH1 ARG 20 4.740 8.310 -6.336 158 2HH1 ARG 20 2HH1 ARG 20 4.291 9.961 -6.605 159 1HH2 ARG 20 1HH2 ARG 20 6.536 11.267 -4.226 160 2HH2 ARG 20 2HH2 ARG 20 5.332 11.656 -5.408 161 H PHE 21 H PHE 21 3.360 7.294 -0.814 162 HA PHE 21 HA PHE 21 2.607 9.707 -2.250 163 1HB PHE 21 1HB PHE 21 1.031 7.579 -0.681 164 2HB PHE 21 2HB PHE 21 0.299 8.816 -1.682 165 HD1 PHE 21 HD1 PHE 21 1.602 8.825 -4.163 166 HD2 PHE 21 HD2 PHE 21 0.908 5.493 -1.630 167 HE1 PHE 21 HE1 PHE 21 1.722 7.292 -6.147 168 HE2 PHE 21 HE2 PHE 21 1.029 3.959 -3.613 169 HZ PHE 21 HZ PHE 21 1.433 4.876 -5.848 170 H GLY 22 H GLY 22 3.175 8.479 1.011 171 1HA GLY 22 1HA GLY 22 3.477 9.749 2.887 172 2HA GLY 22 2HA GLY 22 2.832 11.154 2.063 173 H LYS 23 H LYS 23 1.040 8.105 1.902 174 HA LYS 23 HA LYS 23 -1.110 9.307 3.403 175 1HB LYS 23 1HB LYS 23 -0.850 6.679 1.915 176 2HB LYS 23 2HB LYS 23 -2.301 7.191 2.752 177 1HG LYS 23 1HG LYS 23 -2.001 9.416 1.319 178 2HG LYS 23 2HG LYS 23 -1.011 8.397 0.293 179 1HD LYS 23 1HD LYS 23 -2.981 6.734 0.249 180 2HD LYS 23 2HD LYS 23 -3.942 7.978 1.023 181 1HE LYS 23 1HE LYS 23 -4.413 8.472 -1.200 182 2HE LYS 23 2HE LYS 23 -3.010 9.499 -0.976 183 1HZ LYS 23 1HZ LYS 23 -1.678 7.585 -1.793 184 2HZ LYS 23 2HZ LYS 23 -3.070 6.834 -2.199 185 3HZ LYS 23 3HZ LYS 23 -2.667 8.248 -2.910 186 H THR 24 H THR 24 -2.277 7.752 5.056 187 HA THR 24 HA THR 24 -0.310 7.709 7.137 188 HB THR 24 HB THR 24 -2.540 7.040 8.412 189 HG1 THR 24 HG1 THR 24 -3.640 6.420 6.422 190 1HG2 THR 24 1HG2 THR 24 -1.623 9.391 8.388 191 2HG2 THR 24 2HG2 THR 24 -2.423 9.657 6.821 192 3HG2 THR 24 3HG2 THR 24 -3.399 9.364 8.280 193 H ASN 25 H ASN 25 -2.066 5.296 5.194 194 HA ASN 25 HA ASN 25 -0.323 3.296 6.213 195 1HB ASN 25 1HB ASN 25 -2.324 3.481 7.881 196 2HB ASN 25 2HB ASN 25 -3.322 2.849 6.587 197 1HD2 ASN 25 1HD2 ASN 25 -0.464 2.235 8.564 198 2HD2 ASN 25 2HD2 ASN 25 -0.506 0.504 8.505 199 H GLY 26 H GLY 26 -0.870 1.114 5.033 200 1HA GLY 26 1HA GLY 26 -2.698 1.299 2.795 201 2HA GLY 26 2HA GLY 26 -1.002 1.275 2.352 202 H ARG 27 H ARG 27 -3.194 -0.779 1.938 203 HA ARG 27 HA ARG 27 -1.883 -2.982 3.258 204 1HB ARG 27 1HB ARG 27 -4.897 -2.472 3.444 205 2HB ARG 27 2HB ARG 27 -4.088 -3.912 4.028 206 1HG ARG 27 1HG ARG 27 -2.684 -2.440 5.550 207 2HG ARG 27 2HG ARG 27 -3.634 -1.062 5.030 208 1HD ARG 27 1HD ARG 27 -5.725 -2.280 5.828 209 2HD ARG 27 2HD ARG 27 -4.692 -3.541 6.470 210 HE ARG 27 HE ARG 27 -3.736 -1.045 7.468 211 1HH1 ARG 27 1HH1 ARG 27 -6.524 -3.168 7.788 212 2HH1 ARG 27 2HH1 ARG 27 -6.909 -2.634 9.390 213 1HH2 ARG 27 1HH2 ARG 27 -4.249 -0.332 9.577 214 2HH2 ARG 27 2HH2 ARG 27 -5.602 -1.014 10.417 215 H CYS 28 H CYS 28 -2.710 -5.160 2.317 216 HA CYS 28 HA CYS 28 -2.626 -4.630 -0.525 217 1HB CYS 28 1HB CYS 28 -0.978 -6.107 0.799 218 2HB CYS 28 2HB CYS 28 -2.252 -7.311 0.794 219 H VAL 29 H VAL 29 -4.664 -4.464 -1.438 220 HA VAL 29 HA VAL 29 -6.683 -6.384 -0.528 221 HB VAL 29 HB VAL 29 -6.907 -3.768 -2.030 222 1HG1 VAL 29 1HG1 VAL 29 -8.655 -5.206 -2.824 223 2HG1 VAL 29 2HG1 VAL 29 -9.037 -5.753 -1.173 224 3HG1 VAL 29 3HG1 VAL 29 -9.379 -4.074 -1.658 225 1HG2 VAL 29 1HG2 VAL 29 -6.353 -3.469 0.330 226 2HG2 VAL 29 2HG2 VAL 29 -8.033 -2.970 0.018 227 3HG2 VAL 29 3HG2 VAL 29 -7.699 -4.533 0.802 228 H ASN 30 H ASN 30 -6.693 -8.227 -1.720 229 HA ASN 30 HA ASN 30 -6.905 -9.532 -3.437 230 1HB ASN 30 1HB ASN 30 -7.575 -7.014 -5.050 231 2HB ASN 30 2HB ASN 30 -7.962 -8.657 -5.522 232 1HD2 ASN 30 1HD2 ASN 30 -9.861 -6.664 -5.290 233 2HD2 ASN 30 2HD2 ASN 30 -10.942 -7.001 -3.981 234 H GLY 31 H GLY 31 -4.279 -8.182 -2.878 235 1HA GLY 31 1HA GLY 31 -2.308 -9.005 -3.773 236 2HA GLY 31 2HA GLY 31 -3.060 -9.158 -5.349 237 H PHE 32 H PHE 32 -4.108 -6.187 -4.269 238 HA PHE 32 HA PHE 32 -1.745 -4.834 -5.367 239 1HB PHE 32 1HB PHE 32 -4.760 -4.530 -5.815 240 2HB PHE 32 2HB PHE 32 -3.685 -3.189 -6.157 241 HD1 PHE 32 HD1 PHE 32 -1.968 -3.412 -7.945 242 HD2 PHE 32 HD2 PHE 32 -4.917 -6.394 -7.295 243 HE1 PHE 32 HE1 PHE 32 -1.517 -4.356 -10.227 244 HE2 PHE 32 HE2 PHE 32 -4.465 -7.337 -9.576 245 HZ PHE 32 HZ PHE 32 -2.772 -6.307 -11.016 246 H CYS 33 H CYS 33 -1.232 -2.765 -4.478 247 HA CYS 33 HA CYS 33 -1.835 -2.662 -1.726 248 1HB CYS 33 1HB CYS 33 -0.335 -0.767 -3.542 249 2HB CYS 33 2HB CYS 33 -0.482 -0.541 -1.810 250 H ASP 34 H ASP 34 -3.195 -1.199 -0.594 251 HA ASP 34 HA ASP 34 -4.702 0.623 -2.294 252 1HB ASP 34 1HB ASP 34 -6.028 -1.437 -1.610 253 2HB ASP 34 2HB ASP 34 -5.811 -0.971 0.066 254 HD2 ASP 34 HD2 ASP 34 -6.724 0.876 0.706 255 H CYS 35 H CYS 35 -4.287 2.727 -1.521 256 HA CYS 35 HA CYS 35 -3.008 2.783 1.108 257 1HB CYS 35 1HB CYS 35 -2.582 4.628 -1.251 258 2HB CYS 35 2HB CYS 35 -1.733 4.693 0.281 259 H PHE 36 H PHE 36 -3.701 4.333 2.635 260 HA PHE 36 HA PHE 36 -5.576 6.358 1.835 261 1HB PHE 36 1HB PHE 36 -7.312 5.420 3.451 262 2HB PHE 36 2HB PHE 36 -7.038 4.368 2.077 263 HD1 PHE 36 HD1 PHE 36 -5.812 2.259 2.349 264 HD2 PHE 36 HD2 PHE 36 -6.655 4.756 5.675 265 HE1 PHE 36 HE1 PHE 36 -5.295 0.359 3.907 266 HE2 PHE 36 HE2 PHE 36 -6.137 2.856 7.232 267 HZ PHE 36 HZ PHE 36 -5.463 0.681 6.329 Start of MODEL 15 1 1H ARG 1 1H ARG 1 -6.435 4.723 -1.517 2 2H ARG 1 2H ARG 1 -8.041 5.060 -1.293 3 3H ARG 1 3H ARG 1 -7.466 3.537 -0.993 4 HA ARG 1 HA ARG 1 -8.645 3.544 -2.947 5 1HB ARG 1 1HB ARG 1 -6.847 5.897 -3.549 6 2HB ARG 1 2HB ARG 1 -7.358 4.899 -4.897 7 1HG ARG 1 1HG ARG 1 -9.754 5.213 -4.206 8 2HG ARG 1 2HG ARG 1 -9.229 6.237 -2.885 9 1HD ARG 1 1HD ARG 1 -8.201 7.830 -4.513 10 2HD ARG 1 2HD ARG 1 -8.691 6.798 -5.843 11 HE ARG 1 HE ARG 1 -10.930 7.509 -5.573 12 1HH1 ARG 1 1HH1 ARG 1 -9.064 8.462 -2.751 13 2HH1 ARG 1 2HH1 ARG 1 -10.189 9.683 -2.257 14 1HH2 ARG 1 1HH2 ARG 1 -12.438 9.097 -4.904 15 2HH2 ARG 1 2HH2 ARG 1 -12.160 9.989 -3.445 16 HA PRO 2 HA PRO 2 -5.673 0.641 -4.221 17 1HB PRO 2 1HB PRO 2 -6.700 -0.240 -6.596 18 2HB PRO 2 2HB PRO 2 -7.292 -0.779 -5.037 19 1HG PRO 2 1HG PRO 2 -8.532 1.116 -6.937 20 2HG PRO 2 2HG PRO 2 -9.276 0.249 -5.608 21 1HD PRO 2 1HD PRO 2 -8.525 3.018 -5.646 22 2HD PRO 2 2HD PRO 2 -9.161 2.123 -4.280 23 H THR 3 H THR 3 -3.819 0.149 -5.475 24 HA THR 3 HA THR 3 -3.415 2.092 -7.649 25 HB THR 3 HB THR 3 -1.099 2.347 -6.921 26 HG1 THR 3 HG1 THR 3 -0.378 0.952 -5.168 27 1HG2 THR 3 1HG2 THR 3 -1.309 3.289 -4.699 28 2HG2 THR 3 2HG2 THR 3 -2.875 3.576 -5.494 29 3HG2 THR 3 3HG2 THR 3 -2.702 2.248 -4.322 30 H ASP 4 H ASP 4 -0.917 0.996 -8.494 31 HA ASP 4 HA ASP 4 -2.036 -1.422 -9.663 32 1HB ASP 4 1HB ASP 4 -0.553 -0.974 -11.581 33 2HB ASP 4 2HB ASP 4 -1.555 0.424 -11.246 34 HD2 ASP 4 HD2 ASP 4 0.519 0.594 -12.674 35 H ILE 5 H ILE 5 -0.119 -0.601 -7.162 36 HA ILE 5 HA ILE 5 2.274 -2.052 -7.843 37 HB ILE 5 HB ILE 5 1.348 -0.751 -5.279 38 1HG1 ILE 5 1HG1 ILE 5 3.341 0.224 -7.346 39 2HG1 ILE 5 2HG1 ILE 5 1.685 0.784 -7.221 40 1HG2 ILE 5 1HG2 ILE 5 3.629 -0.985 -4.496 41 2HG2 ILE 5 2HG2 ILE 5 2.950 -2.584 -4.884 42 3HG2 ILE 5 3HG2 ILE 5 4.095 -1.807 -6.005 43 1HD1 ILE 5 1HD1 ILE 5 2.945 2.384 -5.990 44 2HD1 ILE 5 2HD1 ILE 5 2.231 1.336 -4.740 45 3HD1 ILE 5 3HD1 ILE 5 3.935 1.127 -5.209 46 H LYS 6 H LYS 6 2.267 -4.231 -7.905 47 HA LYS 6 HA LYS 6 0.239 -5.728 -6.611 48 1HB LYS 6 1HB LYS 6 1.248 -7.617 -7.612 49 2HB LYS 6 2HB LYS 6 1.407 -6.311 -8.768 50 1HG LYS 6 1HG LYS 6 3.751 -5.885 -7.734 51 2HG LYS 6 2HG LYS 6 3.560 -7.427 -6.925 52 1HD LYS 6 1HD LYS 6 3.305 -7.070 -9.946 53 2HD LYS 6 2HD LYS 6 4.795 -7.534 -9.152 54 1HE LYS 6 1HE LYS 6 3.543 -9.512 -8.128 55 2HE LYS 6 2HE LYS 6 2.162 -9.082 -9.118 56 1HZ LYS 6 1HZ LYS 6 3.514 -10.717 -10.199 57 2HZ LYS 6 2HZ LYS 6 3.569 -9.332 -11.062 58 3HZ LYS 6 3HZ LYS 6 4.838 -9.763 -10.127 59 H CYS 7 H CYS 7 0.550 -7.356 -4.917 60 HA CYS 7 HA CYS 7 2.910 -7.190 -3.330 61 1HB CYS 7 1HB CYS 7 1.702 -6.434 -1.267 62 2HB CYS 7 2HB CYS 7 2.039 -5.194 -2.459 63 H SER 8 H SER 8 2.886 -8.917 -1.685 64 HA SER 8 HA SER 8 0.729 -10.800 -2.078 65 1HB SER 8 1HB SER 8 2.162 -12.332 -0.710 66 2HB SER 8 2HB SER 8 2.977 -11.732 -2.141 67 HG SER 8 HG SER 8 3.406 -11.051 0.609 68 H GLU 9 H GLU 9 1.905 -8.348 0.159 69 HA GLU 9 HA GLU 9 -0.001 -9.165 2.146 70 1HB GLU 9 1HB GLU 9 2.992 -9.428 2.495 71 2HB GLU 9 2HB GLU 9 2.000 -9.027 3.883 72 1HG GLU 9 1HG GLU 9 1.540 -11.441 2.066 73 2HG GLU 9 2HG GLU 9 2.367 -11.504 3.609 74 HE2 GLU 9 HE2 GLU 9 -0.514 -11.456 2.077 75 H SER 10 H SER 10 0.168 -7.529 4.129 76 HA SER 10 HA SER 10 -0.325 -5.146 2.654 77 1HB SER 10 1HB SER 10 -0.879 -6.051 5.498 78 2HB SER 10 2HB SER 10 -1.170 -4.392 5.015 79 HG SER 10 HG SER 10 -3.064 -5.799 4.802 80 H TYR 11 H TYR 11 2.027 -6.367 5.028 81 HA TYR 11 HA TYR 11 2.942 -3.836 5.903 82 1HB TYR 11 1HB TYR 11 4.607 -5.256 6.999 83 2HB TYR 11 2HB TYR 11 3.143 -6.217 6.948 84 HD1 TYR 11 HD1 TYR 11 3.064 -8.289 5.775 85 HD2 TYR 11 HD2 TYR 11 6.427 -5.690 5.286 86 HE1 TYR 11 HE1 TYR 11 4.325 -10.135 4.563 87 HE2 TYR 11 HE2 TYR 11 7.676 -7.545 4.077 88 HH TYR 11 HH TYR 11 7.643 -9.592 3.406 89 H GLN 12 H GLN 12 3.335 -5.574 2.939 90 HA GLN 12 HA GLN 12 5.868 -4.485 2.305 91 1HB GLN 12 1HB GLN 12 3.672 -5.644 0.533 92 2HB GLN 12 2HB GLN 12 5.280 -5.235 -0.028 93 1HG GLN 12 1HG GLN 12 6.306 -6.891 1.427 94 2HG GLN 12 2HG GLN 12 4.807 -7.152 2.296 95 1HE2 GLN 12 1HE2 GLN 12 6.095 -9.276 1.299 96 2HE2 GLN 12 2HE2 GLN 12 5.237 -9.977 -0.032 97 H CYS 13 H CYS 13 2.491 -3.412 2.138 98 HA CYS 13 HA CYS 13 3.071 -1.497 0.070 99 1HB CYS 13 1HB CYS 13 0.516 -2.007 1.608 100 2HB CYS 13 2HB CYS 13 0.684 -0.951 0.219 101 H PHE 14 H PHE 14 2.861 -1.724 3.604 102 HA PHE 14 HA PHE 14 1.561 0.661 4.099 103 1HB PHE 14 1HB PHE 14 1.675 -0.668 6.015 104 2HB PHE 14 2HB PHE 14 3.164 -1.428 5.489 105 HD1 PHE 14 HD1 PHE 14 4.921 -1.170 6.941 106 HD2 PHE 14 HD2 PHE 14 2.125 2.001 6.571 107 HE1 PHE 14 HE1 PHE 14 6.201 0.158 8.644 108 HE2 PHE 14 HE2 PHE 14 3.405 3.329 8.273 109 HZ PHE 14 HZ PHE 14 5.428 2.391 9.289 110 HA PRO 15 HA PRO 15 5.899 2.529 4.569 111 1HB PRO 15 1HB PRO 15 8.049 1.223 3.503 112 2HB PRO 15 2HB PRO 15 7.594 1.101 5.191 113 1HG PRO 15 1HG PRO 15 7.233 -0.880 3.027 114 2HG PRO 15 2HG PRO 15 7.183 -1.127 4.761 115 1HD PRO 15 1HD PRO 15 4.937 -0.988 2.982 116 2HD PRO 15 2HD PRO 15 4.885 -1.119 4.729 117 H VAL 16 H VAL 16 5.442 0.730 1.601 118 HA VAL 16 HA VAL 16 6.498 2.604 -0.135 119 HB VAL 16 HB VAL 16 4.612 0.354 -0.211 120 1HG1 VAL 16 1HG1 VAL 16 3.853 0.911 -2.547 121 2HG1 VAL 16 2HG1 VAL 16 3.122 1.907 -1.265 122 3HG1 VAL 16 3HG1 VAL 16 4.431 2.572 -2.272 123 1HG2 VAL 16 1HG2 VAL 16 5.959 -0.280 -2.148 124 2HG2 VAL 16 2HG2 VAL 16 6.757 1.312 -2.138 125 3HG2 VAL 16 3HG2 VAL 16 7.008 0.182 -0.786 126 H CYS 17 H CYS 17 3.305 2.447 1.517 127 HA CYS 17 HA CYS 17 2.229 4.534 -0.078 128 1HB CYS 17 1HB CYS 17 1.270 3.165 2.437 129 2HB CYS 17 2HB CYS 17 0.377 4.451 1.650 130 H LYS 18 H LYS 18 3.605 4.173 3.249 131 HA LYS 18 HA LYS 18 2.931 6.760 4.093 132 1HB LYS 18 1HB LYS 18 3.414 4.860 5.598 133 2HB LYS 18 2HB LYS 18 5.094 4.887 5.101 134 1HG LYS 18 1HG LYS 18 4.024 7.523 5.995 135 2HG LYS 18 2HG LYS 18 4.075 6.296 7.245 136 1HD LYS 18 1HD LYS 18 6.462 5.936 6.912 137 2HD LYS 18 2HD LYS 18 6.468 6.913 5.458 138 1HE LYS 18 1HE LYS 18 7.368 8.265 7.275 139 2HE LYS 18 2HE LYS 18 5.801 8.920 6.841 140 1HZ LYS 18 1HZ LYS 18 6.168 6.987 9.018 141 2HZ LYS 18 2HZ LYS 18 6.180 8.604 9.246 142 3HZ LYS 18 3HZ LYS 18 4.832 7.868 8.691 143 H SER 19 H SER 19 5.665 5.404 2.253 144 HA SER 19 HA SER 19 7.258 7.716 2.655 145 1HB SER 19 1HB SER 19 8.311 5.531 2.310 146 2HB SER 19 2HB SER 19 7.515 5.342 0.760 147 HG SER 19 HG SER 19 9.720 6.057 0.514 148 H ARG 20 H ARG 20 5.581 6.240 -0.256 149 HA ARG 20 HA ARG 20 6.711 8.393 -1.751 150 1HB ARG 20 1HB ARG 20 6.660 5.916 -2.471 151 2HB ARG 20 2HB ARG 20 4.945 6.117 -2.771 152 1HG ARG 20 1HG ARG 20 6.624 8.237 -4.002 153 2HG ARG 20 2HG ARG 20 6.965 6.629 -4.611 154 1HD ARG 20 1HD ARG 20 4.089 7.577 -4.371 155 2HD ARG 20 2HD ARG 20 5.059 8.066 -5.746 156 HE ARG 20 HE ARG 20 5.208 5.193 -5.266 157 1HH1 ARG 20 1HH1 ARG 20 2.979 7.613 -6.483 158 2HH1 ARG 20 2HH1 ARG 20 2.407 6.626 -7.786 159 1HH2 ARG 20 1HH2 ARG 20 4.506 3.899 -7.035 160 2HH2 ARG 20 2HH2 ARG 20 3.211 4.462 -8.039 161 H PHE 21 H PHE 21 3.487 7.146 -0.762 162 HA PHE 21 HA PHE 21 2.168 9.183 -2.353 163 1HB PHE 21 1HB PHE 21 1.322 6.835 -0.560 164 2HB PHE 21 2HB PHE 21 0.140 7.909 -1.281 165 HD1 PHE 21 HD1 PHE 21 -0.492 7.684 -3.561 166 HD2 PHE 21 HD2 PHE 21 2.762 5.424 -2.041 167 HE1 PHE 21 HE1 PHE 21 -0.489 6.287 -5.646 168 HE2 PHE 21 HE2 PHE 21 2.766 4.027 -4.127 169 HZ PHE 21 HZ PHE 21 1.141 4.475 -5.904 170 H GLY 22 H GLY 22 3.215 8.543 0.945 171 1HA GLY 22 1HA GLY 22 3.397 10.069 2.617 172 2HA GLY 22 2HA GLY 22 2.517 11.241 1.655 173 H LYS 23 H LYS 23 1.215 7.969 2.177 174 HA LYS 23 HA LYS 23 -1.095 9.182 3.416 175 1HB LYS 23 1HB LYS 23 -0.516 6.377 2.425 176 2HB LYS 23 2HB LYS 23 -2.029 6.858 3.168 177 1HG LYS 23 1HG LYS 23 -1.303 8.788 1.110 178 2HG LYS 23 2HG LYS 23 -1.255 7.172 0.436 179 1HD LYS 23 1HD LYS 23 -3.570 6.773 1.462 180 2HD LYS 23 2HD LYS 23 -3.606 8.474 1.883 181 1HE LYS 23 1HE LYS 23 -3.504 9.151 -0.446 182 2HE LYS 23 2HE LYS 23 -3.106 7.528 -0.972 183 1HZ LYS 23 1HZ LYS 23 -5.639 8.293 0.308 184 2HZ LYS 23 2HZ LYS 23 -5.429 8.056 -1.295 185 3HZ LYS 23 3HZ LYS 23 -5.265 6.806 -0.256 186 H THR 24 H THR 24 -2.120 7.710 5.274 187 HA THR 24 HA THR 24 -0.186 7.739 7.403 188 HB THR 24 HB THR 24 -2.337 6.976 8.667 189 HG1 THR 24 HG1 THR 24 -4.199 7.006 7.299 190 1HG2 THR 24 1HG2 THR 24 -1.680 9.420 8.464 191 2HG2 THR 24 2HG2 THR 24 -2.582 9.489 6.931 192 3HG2 THR 24 3HG2 THR 24 -3.442 9.172 8.456 193 H ASN 25 H ASN 25 -1.980 5.267 5.505 194 HA ASN 25 HA ASN 25 -0.044 3.341 6.249 195 1HB ASN 25 1HB ASN 25 -1.698 3.411 8.236 196 2HB ASN 25 2HB ASN 25 -2.927 2.828 7.134 197 1HD2 ASN 25 1HD2 ASN 25 -2.985 1.074 8.721 198 2HD2 ASN 25 2HD2 ASN 25 -1.945 -0.294 8.502 199 H GLY 26 H GLY 26 -0.566 1.194 5.086 200 1HA GLY 26 1HA GLY 26 -2.671 1.456 3.043 201 2HA GLY 26 2HA GLY 26 -1.025 1.096 2.562 202 H ARG 27 H ARG 27 -2.932 -0.746 1.875 203 HA ARG 27 HA ARG 27 -2.085 -2.982 3.418 204 1HB ARG 27 1HB ARG 27 -4.430 -3.802 3.856 205 2HB ARG 27 2HB ARG 27 -4.044 -2.343 4.748 206 1HG ARG 27 1HG ARG 27 -5.177 -0.974 2.971 207 2HG ARG 27 2HG ARG 27 -5.588 -2.445 2.113 208 1HD ARG 27 1HD ARG 27 -6.453 -1.860 4.986 209 2HD ARG 27 2HD ARG 27 -7.453 -1.541 3.583 210 HE ARG 27 HE ARG 27 -7.413 -3.988 3.097 211 1HH1 ARG 27 1HH1 ARG 27 -5.633 -3.393 6.013 212 2HH1 ARG 27 2HH1 ARG 27 -6.463 -4.580 6.962 213 1HH2 ARG 27 1HH2 ARG 27 -8.534 -5.650 4.316 214 2HH2 ARG 27 2HH2 ARG 27 -7.954 -6.029 5.903 215 H CYS 28 H CYS 28 -2.824 -5.088 2.338 216 HA CYS 28 HA CYS 28 -2.663 -4.582 -0.507 217 1HB CYS 28 1HB CYS 28 -1.118 -6.137 0.854 218 2HB CYS 28 2HB CYS 28 -2.455 -7.272 0.829 219 H VAL 29 H VAL 29 -4.646 -4.371 -1.510 220 HA VAL 29 HA VAL 29 -6.794 -6.147 -0.609 221 HB VAL 29 HB VAL 29 -6.813 -3.633 -2.290 222 1HG1 VAL 29 1HG1 VAL 29 -9.077 -5.447 -1.406 223 2HG1 VAL 29 2HG1 VAL 29 -9.310 -3.796 -2.029 224 3HG1 VAL 29 3HG1 VAL 29 -8.589 -5.047 -3.069 225 1HG2 VAL 29 1HG2 VAL 29 -7.763 -4.162 0.546 226 2HG2 VAL 29 2HG2 VAL 29 -6.358 -3.181 0.063 227 3HG2 VAL 29 3HG2 VAL 29 -8.003 -2.648 -0.358 228 H ASN 30 H ASN 30 -6.775 -8.074 -1.670 229 HA ASN 30 HA ASN 30 -6.986 -9.476 -3.309 230 1HB ASN 30 1HB ASN 30 -7.562 -7.042 -5.080 231 2HB ASN 30 2HB ASN 30 -7.981 -8.699 -5.464 232 1HD2 ASN 30 1HD2 ASN 30 -9.840 -6.665 -5.392 233 2HD2 ASN 30 2HD2 ASN 30 -10.952 -6.896 -4.084 234 H GLY 31 H GLY 31 -4.329 -8.262 -2.772 235 1HA GLY 31 1HA GLY 31 -2.339 -9.046 -3.586 236 2HA GLY 31 2HA GLY 31 -3.090 -9.415 -5.126 237 H PHE 32 H PHE 32 -3.973 -6.265 -4.062 238 HA PHE 32 HA PHE 32 -1.618 -5.042 -5.270 239 1HB PHE 32 1HB PHE 32 -4.573 -4.813 -6.032 240 2HB PHE 32 2HB PHE 32 -3.493 -3.470 -6.351 241 HD1 PHE 32 HD1 PHE 32 -4.623 -6.696 -7.456 242 HD2 PHE 32 HD2 PHE 32 -1.515 -3.839 -7.874 243 HE1 PHE 32 HE1 PHE 32 -3.923 -7.774 -9.612 244 HE2 PHE 32 HE2 PHE 32 -0.815 -4.916 -10.031 245 HZ PHE 32 HZ PHE 32 -2.027 -6.871 -10.874 246 H CYS 33 H CYS 33 -1.266 -2.811 -4.595 247 HA CYS 33 HA CYS 33 -1.852 -2.745 -1.833 248 1HB CYS 33 1HB CYS 33 -0.346 -0.843 -3.634 249 2HB CYS 33 2HB CYS 33 -0.493 -0.625 -1.902 250 H ASP 34 H ASP 34 -3.104 -1.156 -0.672 251 HA ASP 34 HA ASP 34 -4.450 0.795 -2.348 252 1HB ASP 34 1HB ASP 34 -5.996 -1.142 -1.781 253 2HB ASP 34 2HB ASP 34 -5.780 -0.764 -0.083 254 HD2 ASP 34 HD2 ASP 34 -8.673 0.985 -1.903 255 H CYS 35 H CYS 35 -4.147 2.857 -1.446 256 HA CYS 35 HA CYS 35 -2.915 2.845 1.205 257 1HB CYS 35 1HB CYS 35 -2.654 4.917 -0.982 258 2HB CYS 35 2HB CYS 35 -1.793 4.893 0.544 259 H PHE 36 H PHE 36 -3.815 4.134 2.843 260 HA PHE 36 HA PHE 36 -5.943 5.966 2.112 261 1HB PHE 36 1HB PHE 36 -7.492 4.807 3.687 262 2HB PHE 36 2HB PHE 36 -6.955 3.668 2.468 263 HD1 PHE 36 HD1 PHE 36 -5.392 1.876 3.041 264 HD2 PHE 36 HD2 PHE 36 -6.800 4.578 5.994 265 HE1 PHE 36 HE1 PHE 36 -4.595 0.322 4.843 266 HE2 PHE 36 HE2 PHE 36 -6.003 3.023 7.796 267 HZ PHE 36 HZ PHE 36 -4.910 0.914 7.199 Start of MODEL 16 1 1H ARG 1 1H ARG 1 -5.794 5.700 -2.356 2 2H ARG 1 2H ARG 1 -7.376 5.886 -1.904 3 3H ARG 1 3H ARG 1 -6.541 4.529 -1.455 4 HA ARG 1 HA ARG 1 -8.157 4.350 -3.259 5 1HB ARG 1 1HB ARG 1 -5.875 5.847 -4.625 6 2HB ARG 1 2HB ARG 1 -7.003 4.865 -5.539 7 1HG ARG 1 1HG ARG 1 -8.906 6.213 -4.539 8 2HG ARG 1 2HG ARG 1 -7.720 7.246 -3.766 9 1HD ARG 1 1HD ARG 1 -8.408 8.317 -5.846 10 2HD ARG 1 2HD ARG 1 -6.751 7.780 -6.039 11 HE ARG 1 HE ARG 1 -9.131 6.321 -7.143 12 1HH1 ARG 1 1HH1 ARG 1 -5.667 6.315 -6.905 13 2HH1 ARG 1 2HH1 ARG 1 -5.387 6.065 -8.595 14 1HH2 ARG 1 1HH2 ARG 1 -8.809 5.934 -9.430 15 2HH2 ARG 1 2HH2 ARG 1 -7.201 5.615 -9.989 16 HA PRO 2 HA PRO 2 -5.582 0.811 -4.222 17 1HB PRO 2 1HB PRO 2 -6.987 -0.274 -6.299 18 2HB PRO 2 2HB PRO 2 -7.355 -0.604 -4.618 19 1HG PRO 2 1HG PRO 2 -8.802 1.130 -6.525 20 2HG PRO 2 2HG PRO 2 -9.365 0.457 -5.008 21 1HD PRO 2 1HD PRO 2 -8.533 3.161 -5.482 22 2HD PRO 2 2HD PRO 2 -8.984 2.458 -3.942 23 H THR 3 H THR 3 -3.879 0.194 -5.558 24 HA THR 3 HA THR 3 -3.582 2.019 -7.851 25 HB THR 3 HB THR 3 -1.249 2.332 -7.202 26 HG1 THR 3 HG1 THR 3 -0.473 1.032 -5.390 27 1HG2 THR 3 1HG2 THR 3 -1.410 3.376 -5.026 28 2HG2 THR 3 2HG2 THR 3 -3.011 3.594 -5.775 29 3HG2 THR 3 3HG2 THR 3 -2.766 2.326 -4.550 30 H ASP 4 H ASP 4 -1.092 0.915 -8.719 31 HA ASP 4 HA ASP 4 -2.257 -1.499 -9.834 32 1HB ASP 4 1HB ASP 4 -0.730 -1.131 -11.732 33 2HB ASP 4 2HB ASP 4 -1.673 0.313 -11.426 34 HD2 ASP 4 HD2 ASP 4 2.114 0.774 -11.691 35 H ILE 5 H ILE 5 -0.209 -0.595 -7.386 36 HA ILE 5 HA ILE 5 2.138 -2.074 -8.090 37 HB ILE 5 HB ILE 5 1.265 -0.703 -5.547 38 1HG1 ILE 5 1HG1 ILE 5 3.289 0.178 -7.623 39 2HG1 ILE 5 2HG1 ILE 5 1.624 0.726 -7.588 40 1HG2 ILE 5 1HG2 ILE 5 3.984 -1.841 -6.257 41 2HG2 ILE 5 2HG2 ILE 5 3.565 -0.928 -4.787 42 3HG2 ILE 5 3HG2 ILE 5 2.843 -2.529 -5.077 43 1HD1 ILE 5 1HD1 ILE 5 2.865 2.395 -6.403 44 2HD1 ILE 5 2HD1 ILE 5 2.050 1.439 -5.142 45 3HD1 ILE 5 3HD1 ILE 5 3.775 1.172 -5.484 46 H LYS 6 H LYS 6 2.428 -4.225 -7.875 47 HA LYS 6 HA LYS 6 0.295 -5.731 -6.685 48 1HB LYS 6 1HB LYS 6 2.842 -6.538 -8.116 49 2HB LYS 6 2HB LYS 6 1.653 -7.677 -7.518 50 1HG LYS 6 1HG LYS 6 -0.098 -6.661 -8.938 51 2HG LYS 6 2HG LYS 6 1.015 -5.415 -9.469 52 1HD LYS 6 1HD LYS 6 2.459 -7.107 -10.550 53 2HD LYS 6 2HD LYS 6 1.455 -8.403 -9.932 54 1HE LYS 6 1HE LYS 6 0.784 -8.032 -12.227 55 2HE LYS 6 2HE LYS 6 -0.507 -7.414 -11.216 56 1HZ LYS 6 1HZ LYS 6 0.217 -5.919 -13.021 57 2HZ LYS 6 2HZ LYS 6 0.268 -5.227 -11.543 58 3HZ LYS 6 3HZ LYS 6 1.648 -5.719 -12.263 59 H CYS 7 H CYS 7 0.530 -7.276 -4.953 60 HA CYS 7 HA CYS 7 2.961 -7.246 -3.449 61 1HB CYS 7 1HB CYS 7 1.778 -6.512 -1.332 62 2HB CYS 7 2HB CYS 7 2.224 -5.263 -2.479 63 H SER 8 H SER 8 2.913 -8.986 -1.811 64 HA SER 8 HA SER 8 0.675 -10.786 -2.199 65 1HB SER 8 1HB SER 8 2.117 -12.471 -1.079 66 2HB SER 8 2HB SER 8 2.908 -11.766 -2.474 67 HG SER 8 HG SER 8 4.207 -11.962 -0.422 68 H GLU 9 H GLU 9 2.050 -8.469 0.039 69 HA GLU 9 HA GLU 9 0.295 -9.353 2.136 70 1HB GLU 9 1HB GLU 9 3.330 -9.445 2.389 71 2HB GLU 9 2HB GLU 9 2.262 -9.433 3.777 72 1HG GLU 9 1HG GLU 9 1.098 -11.485 2.822 73 2HG GLU 9 2HG GLU 9 2.309 -11.528 1.556 74 HE2 GLU 9 HE2 GLU 9 3.206 -12.954 5.132 75 H SER 10 H SER 10 0.653 -7.770 4.170 76 HA SER 10 HA SER 10 -0.113 -5.429 2.745 77 1HB SER 10 1HB SER 10 -0.328 -6.267 5.664 78 2HB SER 10 2HB SER 10 -0.895 -4.710 5.090 79 HG SER 10 HG SER 10 -1.786 -7.292 4.117 80 H TYR 11 H TYR 11 2.477 -6.477 4.960 81 HA TYR 11 HA TYR 11 3.268 -3.855 5.718 82 1HB TYR 11 1HB TYR 11 5.164 -5.176 6.692 83 2HB TYR 11 2HB TYR 11 3.658 -6.022 6.986 84 HD1 TYR 11 HD1 TYR 11 3.348 -8.240 6.231 85 HD2 TYR 11 HD2 TYR 11 6.607 -5.929 4.702 86 HE1 TYR 11 HE1 TYR 11 4.301 -10.313 5.111 87 HE2 TYR 11 HE2 TYR 11 7.549 -8.010 3.587 88 HH TYR 11 HH TYR 11 5.776 -11.071 3.691 89 H GLN 12 H GLN 12 3.595 -5.634 2.793 90 HA GLN 12 HA GLN 12 5.997 -4.396 1.968 91 1HB GLN 12 1HB GLN 12 3.697 -5.597 0.363 92 2HB GLN 12 2HB GLN 12 5.229 -5.098 -0.327 93 1HG GLN 12 1HG GLN 12 6.450 -6.786 0.845 94 2HG GLN 12 2HG GLN 12 5.159 -7.049 2.000 95 1HE2 GLN 12 1HE2 GLN 12 5.805 -9.287 1.206 96 2HE2 GLN 12 2HE2 GLN 12 4.817 -9.965 -0.045 97 H CYS 13 H CYS 13 2.529 -3.530 2.002 98 HA CYS 13 HA CYS 13 2.931 -1.523 -0.020 99 1HB CYS 13 1HB CYS 13 0.461 -2.332 1.530 100 2HB CYS 13 2HB CYS 13 0.493 -1.147 0.240 101 H PHE 14 H PHE 14 2.543 -1.843 3.532 102 HA PHE 14 HA PHE 14 1.198 0.536 3.940 103 1HB PHE 14 1HB PHE 14 1.147 -0.825 5.839 104 2HB PHE 14 2HB PHE 14 2.683 -1.567 5.441 105 HD1 PHE 14 HD1 PHE 14 1.498 1.825 6.490 106 HD2 PHE 14 HD2 PHE 14 4.322 -1.297 7.025 107 HE1 PHE 14 HE1 PHE 14 2.608 3.141 8.317 108 HE2 PHE 14 HE2 PHE 14 5.431 0.018 8.852 109 HZ PHE 14 HZ PHE 14 4.560 2.223 9.476 110 HA PRO 15 HA PRO 15 5.477 2.390 4.816 111 1HB PRO 15 1HB PRO 15 7.712 1.105 3.908 112 2HB PRO 15 2HB PRO 15 7.115 0.945 5.547 113 1HG PRO 15 1HG PRO 15 6.940 -0.984 3.315 114 2HG PRO 15 2HG PRO 15 6.743 -1.272 5.033 115 1HD PRO 15 1HD PRO 15 4.656 -1.089 3.073 116 2HD PRO 15 2HD PRO 15 4.455 -1.260 4.805 117 H VAL 16 H VAL 16 5.011 0.747 1.802 118 HA VAL 16 HA VAL 16 6.426 2.642 0.257 119 HB VAL 16 HB VAL 16 4.930 0.225 -0.097 120 1HG1 VAL 16 1HG1 VAL 16 4.250 2.441 -2.060 121 2HG1 VAL 16 2HG1 VAL 16 3.922 0.710 -2.313 122 3HG1 VAL 16 3HG1 VAL 16 3.120 1.582 -0.984 123 1HG2 VAL 16 1HG2 VAL 16 7.274 0.574 -0.738 124 2HG2 VAL 16 2HG2 VAL 16 6.297 0.050 -2.130 125 3HG2 VAL 16 3HG2 VAL 16 6.769 1.758 -1.967 126 H CYS 17 H CYS 17 3.091 2.388 1.525 127 HA CYS 17 HA CYS 17 2.102 4.508 -0.067 128 1HB CYS 17 1HB CYS 17 1.078 3.120 2.407 129 2HB CYS 17 2HB CYS 17 0.232 4.469 1.674 130 H LYS 18 H LYS 18 3.420 4.125 3.279 131 HA LYS 18 HA LYS 18 2.786 6.741 4.093 132 1HB LYS 18 1HB LYS 18 3.154 4.833 5.622 133 2HB LYS 18 2HB LYS 18 4.850 4.807 5.186 134 1HG LYS 18 1HG LYS 18 3.827 7.479 6.028 135 2HG LYS 18 2HG LYS 18 3.801 6.259 7.286 136 1HD LYS 18 1HD LYS 18 6.205 5.789 6.934 137 2HD LYS 18 2HD LYS 18 6.256 6.908 5.588 138 1HE LYS 18 1HE LYS 18 5.633 8.786 7.128 139 2HE LYS 18 2HE LYS 18 5.589 7.665 8.474 140 1HZ LYS 18 1HZ LYS 18 7.951 8.231 6.817 141 2HZ LYS 18 2HZ LYS 18 7.695 8.782 8.333 142 3HZ LYS 18 3HZ LYS 18 7.910 7.186 8.071 143 H SER 19 H SER 19 5.539 5.273 2.367 144 HA SER 19 HA SER 19 7.178 7.554 2.791 145 1HB SER 19 1HB SER 19 8.189 5.334 2.554 146 2HB SER 19 2HB SER 19 7.462 5.122 0.973 147 HG SER 19 HG SER 19 9.692 5.777 0.809 148 H ARG 20 H ARG 20 5.505 6.054 -0.097 149 HA ARG 20 HA ARG 20 6.733 8.076 -1.684 150 1HB ARG 20 1HB ARG 20 6.496 5.597 -2.326 151 2HB ARG 20 2HB ARG 20 4.787 5.893 -2.574 152 1HG ARG 20 1HG ARG 20 6.594 7.837 -3.936 153 2HG ARG 20 2HG ARG 20 6.721 6.190 -4.521 154 1HD ARG 20 1HD ARG 20 4.264 6.113 -4.909 155 2HD ARG 20 2HD ARG 20 4.092 7.731 -4.260 156 HE ARG 20 HE ARG 20 6.036 7.775 -6.374 157 1HH1 ARG 20 1HH1 ARG 20 2.570 7.438 -5.866 158 2HH1 ARG 20 2HH1 ARG 20 2.151 8.063 -7.426 159 1HH2 ARG 20 1HH2 ARG 20 5.483 8.607 -8.429 160 2HH2 ARG 20 2HH2 ARG 20 3.820 8.737 -8.892 161 H PHE 21 H PHE 21 3.403 7.010 -0.756 162 HA PHE 21 HA PHE 21 2.258 9.146 -2.344 163 1HB PHE 21 1HB PHE 21 1.232 6.818 -0.624 164 2HB PHE 21 2HB PHE 21 0.127 7.973 -1.344 165 HD1 PHE 21 HD1 PHE 21 2.563 5.311 -2.073 166 HD2 PHE 21 HD2 PHE 21 -0.399 7.893 -3.677 167 HE1 PHE 21 HE1 PHE 21 2.538 3.966 -4.193 168 HE2 PHE 21 HE2 PHE 21 -0.423 6.548 -5.796 169 HZ PHE 21 HZ PHE 21 1.046 4.601 -6.028 170 H GLY 22 H GLY 22 3.120 8.391 0.992 171 1HA GLY 22 1HA GLY 22 3.410 9.932 2.641 172 2HA GLY 22 2HA GLY 22 2.618 11.150 1.660 173 H LYS 23 H LYS 23 1.077 7.988 2.170 174 HA LYS 23 HA LYS 23 -1.128 9.379 3.428 175 1HB LYS 23 1HB LYS 23 -0.833 6.555 2.365 176 2HB LYS 23 2HB LYS 23 -2.300 7.197 3.075 177 1HG LYS 23 1HG LYS 23 -1.411 9.117 1.133 178 2HG LYS 23 2HG LYS 23 -1.293 7.541 0.376 179 1HD LYS 23 1HD LYS 23 -3.524 8.182 -0.080 180 2HD LYS 23 2HD LYS 23 -3.696 7.114 1.299 181 1HE LYS 23 1HE LYS 23 -3.838 9.031 2.837 182 2HE LYS 23 2HE LYS 23 -3.480 10.152 1.540 183 1HZ LYS 23 1HZ LYS 23 -5.844 8.410 1.658 184 2HZ LYS 23 2HZ LYS 23 -5.829 10.013 1.973 185 3HZ LYS 23 3HZ LYS 23 -5.513 9.473 0.464 186 H THR 24 H THR 24 -2.297 7.880 5.209 187 HA THR 24 HA THR 24 -0.430 7.917 7.382 188 HB THR 24 HB THR 24 -2.672 7.087 8.536 189 HG1 THR 24 HG1 THR 24 -3.671 6.443 6.520 190 1HG2 THR 24 1HG2 THR 24 -3.665 9.357 8.406 191 2HG2 THR 24 2HG2 THR 24 -1.901 9.488 8.600 192 3HG2 THR 24 3HG2 THR 24 -2.642 9.740 7.001 193 H ASN 25 H ASN 25 -1.990 5.429 5.351 194 HA ASN 25 HA ASN 25 -0.230 3.478 6.404 195 1HB ASN 25 1HB ASN 25 -2.214 3.690 8.106 196 2HB ASN 25 2HB ASN 25 -3.206 2.967 6.855 197 1HD2 ASN 25 1HD2 ASN 25 -0.291 2.540 8.800 198 2HD2 ASN 25 2HD2 ASN 25 -0.277 0.807 8.822 199 H GLY 26 H GLY 26 -0.801 1.247 5.306 200 1HA GLY 26 1HA GLY 26 -2.605 1.493 3.012 201 2HA GLY 26 2HA GLY 26 -0.915 1.159 2.688 202 H ARG 27 H ARG 27 -2.896 -0.685 1.933 203 HA ARG 27 HA ARG 27 -2.101 -2.912 3.534 204 1HB ARG 27 1HB ARG 27 -4.231 -1.989 4.618 205 2HB ARG 27 2HB ARG 27 -5.080 -2.351 3.128 206 1HG ARG 27 1HG ARG 27 -4.525 -4.749 3.343 207 2HG ARG 27 2HG ARG 27 -3.547 -4.428 4.761 208 1HD ARG 27 1HD ARG 27 -5.567 -3.599 5.979 209 2HD ARG 27 2HD ARG 27 -6.551 -3.889 4.558 210 HE ARG 27 HE ARG 27 -5.169 -6.311 5.197 211 1HH1 ARG 27 1HH1 ARG 27 -7.710 -4.251 6.494 212 2HH1 ARG 27 2HH1 ARG 27 -8.534 -5.550 7.289 213 1HH2 ARG 27 1HH2 ARG 27 -6.256 -8.026 6.249 214 2HH2 ARG 27 2HH2 ARG 27 -7.697 -7.711 7.154 215 H CYS 28 H CYS 28 -2.354 -4.946 2.369 216 HA CYS 28 HA CYS 28 -2.445 -4.499 -0.464 217 1HB CYS 28 1HB CYS 28 -0.724 -5.910 0.729 218 2HB CYS 28 2HB CYS 28 -1.982 -7.099 1.003 219 H VAL 29 H VAL 29 -4.544 -4.273 -1.244 220 HA VAL 29 HA VAL 29 -6.561 -6.121 -0.220 221 HB VAL 29 HB VAL 29 -6.740 -3.604 -1.888 222 1HG1 VAL 29 1HG1 VAL 29 -9.212 -3.807 -1.455 223 2HG1 VAL 29 2HG1 VAL 29 -8.545 -5.031 -2.562 224 3HG1 VAL 29 3HG1 VAL 29 -8.912 -5.463 -0.874 225 1HG2 VAL 29 1HG2 VAL 29 -7.499 -4.165 0.999 226 2HG2 VAL 29 2HG2 VAL 29 -6.133 -3.172 0.437 227 3HG2 VAL 29 3HG2 VAL 29 -7.804 -2.645 0.123 228 H ASN 30 H ASN 30 -6.565 -8.058 -1.272 229 HA ASN 30 HA ASN 30 -6.919 -9.466 -2.880 230 1HB ASN 30 1HB ASN 30 -7.696 -7.045 -4.591 231 2HB ASN 30 2HB ASN 30 -8.123 -8.710 -4.934 232 1HD2 ASN 30 1HD2 ASN 30 -9.995 -6.695 -4.685 233 2HD2 ASN 30 2HD2 ASN 30 -10.976 -6.944 -3.280 234 H GLY 31 H GLY 31 -4.241 -8.218 -2.597 235 1HA GLY 31 1HA GLY 31 -2.339 -9.023 -3.601 236 2HA GLY 31 2HA GLY 31 -3.228 -9.347 -5.076 237 H PHE 32 H PHE 32 -4.034 -6.230 -3.917 238 HA PHE 32 HA PHE 32 -1.788 -4.986 -5.315 239 1HB PHE 32 1HB PHE 32 -4.809 -4.722 -5.726 240 2HB PHE 32 2HB PHE 32 -3.764 -3.375 -6.132 241 HD1 PHE 32 HD1 PHE 32 -4.903 -6.677 -7.109 242 HD2 PHE 32 HD2 PHE 32 -2.107 -3.599 -7.957 243 HE1 PHE 32 HE1 PHE 32 -4.462 -7.698 -9.359 244 HE2 PHE 32 HE2 PHE 32 -1.666 -4.619 -10.207 245 HZ PHE 32 HZ PHE 32 -2.848 -6.657 -10.882 246 H CYS 33 H CYS 33 -1.286 -2.830 -4.598 247 HA CYS 33 HA CYS 33 -1.760 -2.633 -1.816 248 1HB CYS 33 1HB CYS 33 -0.289 -0.839 -3.753 249 2HB CYS 33 2HB CYS 33 -0.361 -0.553 -2.026 250 H ASP 34 H ASP 34 -3.120 -1.176 -0.702 251 HA ASP 34 HA ASP 34 -4.394 0.846 -2.362 252 1HB ASP 34 1HB ASP 34 -5.974 -1.046 -1.770 253 2HB ASP 34 2HB ASP 34 -5.711 -0.692 -0.074 254 HD2 ASP 34 HD2 ASP 34 -7.636 2.291 -0.272 255 H CYS 35 H CYS 35 -4.173 2.919 -1.446 256 HA CYS 35 HA CYS 35 -2.897 2.958 1.181 257 1HB CYS 35 1HB CYS 35 -2.871 5.104 -0.949 258 2HB CYS 35 2HB CYS 35 -1.954 5.093 0.544 259 H PHE 36 H PHE 36 -3.724 4.380 2.816 260 HA PHE 36 HA PHE 36 -5.862 6.167 2.179 261 1HB PHE 36 1HB PHE 36 -7.384 4.951 3.881 262 2HB PHE 36 2HB PHE 36 -7.163 4.101 2.364 263 HD1 PHE 36 HD1 PHE 36 -6.367 4.120 5.935 264 HD2 PHE 36 HD2 PHE 36 -5.867 2.049 2.263 265 HE1 PHE 36 HE1 PHE 36 -5.563 2.097 7.184 266 HE2 PHE 36 HE2 PHE 36 -5.063 0.027 3.514 267 HZ PHE 36 HZ PHE 36 -4.921 0.075 5.959 Start of MODEL 17 1 1H ARG 1 1H ARG 1 -7.930 3.673 -1.081 2 2H ARG 1 2H ARG 1 -6.513 4.445 -1.451 3 3H ARG 1 3H ARG 1 -7.940 5.284 -1.462 4 HA ARG 1 HA ARG 1 -8.720 3.716 -3.132 5 1HB ARG 1 1HB ARG 1 -7.810 5.068 -4.963 6 2HB ARG 1 2HB ARG 1 -8.077 6.115 -3.582 7 1HG ARG 1 1HG ARG 1 -5.620 5.766 -2.954 8 2HG ARG 1 2HG ARG 1 -5.413 4.921 -4.476 9 1HD ARG 1 1HD ARG 1 -6.244 6.981 -5.690 10 2HD ARG 1 2HD ARG 1 -6.338 7.818 -4.153 11 HE ARG 1 HE ARG 1 -3.714 6.694 -4.424 12 1HH1 ARG 1 1HH1 ARG 1 -5.713 9.213 -5.850 13 2HH1 ARG 1 2HH1 ARG 1 -4.371 10.239 -6.234 14 1HH2 ARG 1 1HH2 ARG 1 -1.943 8.049 -4.925 15 2HH2 ARG 1 2HH2 ARG 1 -2.210 9.565 -5.718 16 HA PRO 2 HA PRO 2 -5.781 0.662 -4.334 17 1HB PRO 2 1HB PRO 2 -6.792 -0.111 -6.752 18 2HB PRO 2 2HB PRO 2 -7.403 -0.711 -5.223 19 1HG PRO 2 1HG PRO 2 -8.612 1.271 -7.052 20 2HG PRO 2 2HG PRO 2 -9.375 0.355 -5.767 21 1HD PRO 2 1HD PRO 2 -8.604 3.116 -5.683 22 2HD PRO 2 2HD PRO 2 -9.259 2.171 -4.361 23 H THR 3 H THR 3 -3.999 0.119 -5.745 24 HA THR 3 HA THR 3 -3.308 2.420 -7.431 25 HB THR 3 HB THR 3 -1.148 2.603 -6.305 26 HG1 THR 3 HG1 THR 3 -2.212 0.350 -4.752 27 1HG2 THR 3 1HG2 THR 3 -1.753 3.142 -3.997 28 2HG2 THR 3 2HG2 THR 3 -3.120 3.625 -5.030 29 3HG2 THR 3 3HG2 THR 3 -3.205 2.116 -4.091 30 H ASP 4 H ASP 4 -0.672 1.533 -8.032 31 HA ASP 4 HA ASP 4 -1.521 -0.556 -9.842 32 1HB ASP 4 1HB ASP 4 0.444 0.099 -11.177 33 2HB ASP 4 2HB ASP 4 -0.518 1.511 -10.786 34 HD2 ASP 4 HD2 ASP 4 3.256 1.406 -9.705 35 H ILE 5 H ILE 5 0.000 -0.247 -6.847 36 HA ILE 5 HA ILE 5 2.405 -1.710 -7.440 37 HB ILE 5 HB ILE 5 1.292 -0.620 -4.852 38 1HG1 ILE 5 1HG1 ILE 5 3.428 0.515 -6.682 39 2HG1 ILE 5 2HG1 ILE 5 1.774 1.089 -6.599 40 1HG2 ILE 5 1HG2 ILE 5 3.516 -0.948 -3.936 41 2HG2 ILE 5 2HG2 ILE 5 2.847 -2.497 -4.502 42 3HG2 ILE 5 3HG2 ILE 5 4.075 -1.649 -5.473 43 1HD1 ILE 5 1HD1 ILE 5 2.227 1.323 -4.014 44 2HD1 ILE 5 2HD1 ILE 5 3.942 1.257 -4.491 45 3HD1 ILE 5 3HD1 ILE 5 2.890 2.547 -5.124 46 H LYS 6 H LYS 6 2.463 -3.884 -7.577 47 HA LYS 6 HA LYS 6 0.350 -5.438 -6.407 48 1HB LYS 6 1HB LYS 6 1.506 -5.856 -8.650 49 2HB LYS 6 2HB LYS 6 2.873 -6.453 -7.731 50 1HG LYS 6 1HG LYS 6 1.395 -8.124 -6.605 51 2HG LYS 6 2HG LYS 6 0.018 -7.519 -7.503 52 1HD LYS 6 1HD LYS 6 1.318 -8.067 -9.654 53 2HD LYS 6 2HD LYS 6 2.494 -8.885 -8.646 54 1HE LYS 6 1HE LYS 6 -0.486 -9.558 -8.752 55 2HE LYS 6 2HE LYS 6 0.775 -10.458 -9.570 56 1HZ LYS 6 1HZ LYS 6 0.375 -11.532 -7.555 57 2HZ LYS 6 2HZ LYS 6 1.784 -10.741 -7.321 58 3HZ LYS 6 3HZ LYS 6 0.402 -10.154 -6.679 59 H CYS 7 H CYS 7 0.555 -6.960 -4.697 60 HA CYS 7 HA CYS 7 3.023 -6.947 -3.212 61 1HB CYS 7 1HB CYS 7 1.855 -6.280 -1.095 62 2HB CYS 7 2HB CYS 7 2.162 -4.992 -2.242 63 H SER 8 H SER 8 2.960 -8.670 -1.510 64 HA SER 8 HA SER 8 0.831 -10.574 -2.038 65 1HB SER 8 1HB SER 8 2.300 -12.242 -0.985 66 2HB SER 8 2HB SER 8 3.154 -11.404 -2.264 67 HG SER 8 HG SER 8 3.596 -11.378 0.521 68 H GLU 9 H GLU 9 1.927 -8.185 0.222 69 HA GLU 9 HA GLU 9 0.140 -9.142 2.241 70 1HB GLU 9 1HB GLU 9 3.098 -9.475 2.428 71 2HB GLU 9 2HB GLU 9 2.336 -8.792 3.851 72 1HG GLU 9 1HG GLU 9 1.519 -10.820 4.450 73 2HG GLU 9 2HG GLU 9 0.700 -10.988 2.910 74 HE2 GLU 9 HE2 GLU 9 1.636 -12.131 1.404 75 H SER 10 H SER 10 0.225 -7.523 4.225 76 HA SER 10 HA SER 10 -0.350 -5.135 2.792 77 1HB SER 10 1HB SER 10 -0.782 -5.904 5.712 78 2HB SER 10 2HB SER 10 -1.386 -4.429 4.986 79 HG SER 10 HG SER 10 -2.941 -6.252 5.063 80 H TYR 11 H TYR 11 2.032 -6.307 5.163 81 HA TYR 11 HA TYR 11 2.866 -3.745 6.045 82 1HB TYR 11 1HB TYR 11 4.543 -5.118 7.182 83 2HB TYR 11 2HB TYR 11 3.104 -6.116 7.112 84 HD1 TYR 11 HD1 TYR 11 3.102 -8.198 5.956 85 HD2 TYR 11 HD2 TYR 11 6.401 -5.512 5.500 86 HE1 TYR 11 HE1 TYR 11 4.432 -10.019 4.780 87 HE2 TYR 11 HE2 TYR 11 7.720 -7.341 4.327 88 HH TYR 11 HH TYR 11 7.745 -9.387 3.651 89 H GLN 12 H GLN 12 3.330 -5.486 3.097 90 HA GLN 12 HA GLN 12 5.834 -4.319 2.478 91 1HB GLN 12 1HB GLN 12 3.685 -5.538 0.688 92 2HB GLN 12 2HB GLN 12 5.289 -5.086 0.144 93 1HG GLN 12 1HG GLN 12 6.347 -6.728 1.570 94 2HG GLN 12 2HG GLN 12 4.872 -7.001 2.476 95 1HE2 GLN 12 1HE2 GLN 12 6.012 -9.169 1.596 96 2HE2 GLN 12 2HE2 GLN 12 5.187 -9.877 0.247 97 H CYS 13 H CYS 13 2.458 -3.303 2.406 98 HA CYS 13 HA CYS 13 2.907 -1.417 0.281 99 1HB CYS 13 1HB CYS 13 0.453 -1.965 1.964 100 2HB CYS 13 2HB CYS 13 0.518 -0.873 0.596 101 H PHE 14 H PHE 14 2.651 -1.554 3.858 102 HA PHE 14 HA PHE 14 1.465 0.906 4.226 103 1HB PHE 14 1HB PHE 14 1.476 -0.324 6.207 104 2HB PHE 14 2HB PHE 14 2.915 -1.205 5.735 105 HD1 PHE 14 HD1 PHE 14 2.114 2.339 6.639 106 HD2 PHE 14 HD2 PHE 14 4.651 -1.013 7.222 107 HE1 PHE 14 HE1 PHE 14 3.461 3.648 8.304 108 HE2 PHE 14 HE2 PHE 14 5.998 0.297 8.887 109 HZ PHE 14 HZ PHE 14 5.386 2.611 9.408 110 HA PRO 15 HA PRO 15 5.860 2.605 4.766 111 1HB PRO 15 1HB PRO 15 7.990 1.168 3.837 112 2HB PRO 15 2HB PRO 15 7.467 1.134 5.509 113 1HG PRO 15 1HG PRO 15 7.102 -0.916 3.410 114 2HG PRO 15 2HG PRO 15 6.976 -1.091 5.149 115 1HD PRO 15 1HD PRO 15 4.807 -0.929 3.281 116 2HD PRO 15 2HD PRO 15 4.683 -0.988 5.028 117 H VAL 16 H VAL 16 5.159 0.819 1.886 118 HA VAL 16 HA VAL 16 6.649 2.521 0.184 119 HB VAL 16 HB VAL 16 5.054 0.147 0.030 120 1HG1 VAL 16 1HG1 VAL 16 3.286 1.519 -0.931 121 2HG1 VAL 16 2HG1 VAL 16 4.433 2.230 -2.092 122 3HG1 VAL 16 3HG1 VAL 16 4.021 0.501 -2.194 123 1HG2 VAL 16 1HG2 VAL 16 6.921 1.463 -1.973 124 2HG2 VAL 16 2HG2 VAL 16 7.398 0.351 -0.668 125 3HG2 VAL 16 3HG2 VAL 16 6.377 -0.232 -2.004 126 H CYS 17 H CYS 17 3.342 2.519 1.532 127 HA CYS 17 HA CYS 17 2.381 4.468 -0.284 128 1HB CYS 17 1HB CYS 17 1.312 3.493 2.372 129 2HB CYS 17 2HB CYS 17 0.471 4.618 1.323 130 H LYS 18 H LYS 18 3.895 4.408 2.971 131 HA LYS 18 HA LYS 18 3.409 7.144 3.524 132 1HB LYS 18 1HB LYS 18 3.779 5.419 5.257 133 2HB LYS 18 2HB LYS 18 5.434 5.225 4.715 134 1HG LYS 18 1HG LYS 18 6.034 7.460 5.376 135 2HG LYS 18 2HG LYS 18 4.358 7.953 5.531 136 1HD LYS 18 1HD LYS 18 5.248 7.594 7.769 137 2HD LYS 18 2HD LYS 18 4.084 6.326 7.439 138 1HE LYS 18 1HE LYS 18 5.864 4.724 6.930 139 2HE LYS 18 2HE LYS 18 7.084 5.981 6.990 140 1HZ LYS 18 1HZ LYS 18 6.605 6.283 9.309 141 2HZ LYS 18 2HZ LYS 18 5.414 5.166 9.267 142 3HZ LYS 18 3HZ LYS 18 6.965 4.714 9.031 143 H SER 19 H SER 19 5.913 5.301 1.791 144 HA SER 19 HA SER 19 7.747 7.434 1.739 145 1HB SER 19 1HB SER 19 8.445 5.089 1.437 146 2HB SER 19 2HB SER 19 7.480 4.957 -0.020 147 HG SER 19 HG SER 19 8.875 6.322 -1.125 148 H ARG 20 H ARG 20 5.250 6.136 -0.555 149 HA ARG 20 HA ARG 20 6.256 7.867 -2.582 150 1HB ARG 20 1HB ARG 20 5.519 5.550 -3.118 151 2HB ARG 20 2HB ARG 20 3.898 5.916 -2.562 152 1HG ARG 20 1HG ARG 20 3.566 7.539 -4.355 153 2HG ARG 20 2HG ARG 20 5.253 7.452 -4.824 154 1HD ARG 20 1HD ARG 20 5.009 5.170 -5.622 155 2HD ARG 20 2HD ARG 20 3.426 5.009 -4.888 156 HE ARG 20 HE ARG 20 3.458 7.228 -6.747 157 1HH1 ARG 20 1HH1 ARG 20 3.712 3.730 -6.851 158 2HH1 ARG 20 2HH1 ARG 20 2.605 3.553 -8.172 159 1HH2 ARG 20 1HH2 ARG 20 2.066 7.013 -8.562 160 2HH2 ARG 20 2HH2 ARG 20 1.789 5.447 -9.247 161 H PHE 21 H PHE 21 3.047 7.314 -0.936 162 HA PHE 21 HA PHE 21 2.065 9.711 -2.253 163 1HB PHE 21 1HB PHE 21 0.748 7.537 -0.515 164 2HB PHE 21 2HB PHE 21 -0.134 8.761 -1.406 165 HD1 PHE 21 HD1 PHE 21 0.692 5.447 -1.461 166 HD2 PHE 21 HD2 PHE 21 0.714 8.824 -4.030 167 HE1 PHE 21 HE1 PHE 21 0.600 3.928 -3.457 168 HE2 PHE 21 HE2 PHE 21 0.622 7.305 -6.027 169 HZ PHE 21 HZ PHE 21 0.567 4.876 -5.716 170 H GLY 22 H GLY 22 3.234 8.596 0.842 171 1HA GLY 22 1HA GLY 22 3.588 9.818 2.731 172 2HA GLY 22 2HA GLY 22 2.705 11.166 2.043 173 H LYS 23 H LYS 23 1.281 7.913 2.013 174 HA LYS 23 HA LYS 23 -0.842 8.945 3.706 175 1HB LYS 23 1HB LYS 23 -0.599 6.619 1.798 176 2HB LYS 23 2HB LYS 23 -1.929 6.730 2.933 177 1HG LYS 23 1HG LYS 23 -2.547 8.961 2.029 178 2HG LYS 23 2HG LYS 23 -1.177 8.920 0.938 179 1HD LYS 23 1HD LYS 23 -2.101 6.985 -0.255 180 2HD LYS 23 2HD LYS 23 -3.391 6.819 0.920 181 1HE LYS 23 1HE LYS 23 -4.248 9.097 0.276 182 2HE LYS 23 2HE LYS 23 -2.980 9.220 -0.928 183 1HZ LYS 23 1HZ LYS 23 -3.875 7.273 -1.998 184 2HZ LYS 23 2HZ LYS 23 -5.044 7.129 -0.867 185 3HZ LYS 23 3HZ LYS 23 -5.031 8.419 -1.868 186 H THR 24 H THR 24 -1.815 7.335 5.351 187 HA THR 24 HA THR 24 0.379 7.072 7.175 188 HB THR 24 HB THR 24 -1.642 6.484 8.714 189 HG1 THR 24 HG1 THR 24 -3.666 6.739 7.619 190 1HG2 THR 24 1HG2 THR 24 -2.548 8.778 8.691 191 2HG2 THR 24 2HG2 THR 24 -0.785 8.860 8.453 192 3HG2 THR 24 3HG2 THR 24 -1.881 9.054 7.064 193 H ASN 25 H ASN 25 -1.855 4.846 5.462 194 HA ASN 25 HA ASN 25 -0.047 2.717 6.001 195 1HB ASN 25 1HB ASN 25 -1.695 2.966 8.052 196 2HB ASN 25 2HB ASN 25 -2.911 2.321 6.967 197 1HD2 ASN 25 1HD2 ASN 25 0.210 1.732 8.478 198 2HD2 ASN 25 2HD2 ASN 25 0.179 0.001 8.418 199 H GLY 26 H GLY 26 -0.939 0.630 4.875 200 1HA GLY 26 1HA GLY 26 -3.113 1.150 2.978 201 2HA GLY 26 2HA GLY 26 -1.534 0.747 2.333 202 H ARG 27 H ARG 27 -3.857 -0.878 1.927 203 HA ARG 27 HA ARG 27 -3.059 -3.203 3.479 204 1HB ARG 27 1HB ARG 27 -5.260 -2.296 4.297 205 2HB ARG 27 2HB ARG 27 -5.918 -2.456 2.681 206 1HG ARG 27 1HG ARG 27 -5.612 -4.897 2.736 207 2HG ARG 27 2HG ARG 27 -4.774 -4.798 4.271 208 1HD ARG 27 1HD ARG 27 -6.855 -3.855 5.329 209 2HD ARG 27 2HD ARG 27 -7.689 -4.007 3.796 210 HE ARG 27 HE ARG 27 -7.820 -6.341 4.097 211 1HH1 ARG 27 1HH1 ARG 27 -5.495 -5.000 6.372 212 2HH1 ARG 27 2HH1 ARG 27 -5.472 -6.409 7.378 213 1HH2 ARG 27 1HH2 ARG 27 -7.772 -8.212 5.411 214 2HH2 ARG 27 2HH2 ARG 27 -6.734 -8.269 6.796 215 H CYS 28 H CYS 28 -2.986 -5.185 2.291 216 HA CYS 28 HA CYS 28 -2.735 -4.744 -0.527 217 1HB CYS 28 1HB CYS 28 -1.170 -6.103 0.987 218 2HB CYS 28 2HB CYS 28 -2.379 -7.369 0.909 219 H VAL 29 H VAL 29 -4.867 -4.453 -1.346 220 HA VAL 29 HA VAL 29 -6.825 -6.503 -0.670 221 HB VAL 29 HB VAL 29 -7.013 -3.842 -2.093 222 1HG1 VAL 29 1HG1 VAL 29 -8.671 -5.258 -3.082 223 2HG1 VAL 29 2HG1 VAL 29 -9.154 -5.906 -1.496 224 3HG1 VAL 29 3HG1 VAL 29 -9.501 -4.209 -1.907 225 1HG2 VAL 29 1HG2 VAL 29 -8.316 -3.175 -0.095 226 2HG2 VAL 29 2HG2 VAL 29 -7.971 -4.759 0.640 227 3HG2 VAL 29 3HG2 VAL 29 -6.641 -3.625 0.303 228 H ASN 30 H ASN 30 -6.992 -8.270 -1.941 229 HA ASN 30 HA ASN 30 -7.008 -9.555 -3.686 230 1HB ASN 30 1HB ASN 30 -7.322 -6.998 -5.346 231 2HB ASN 30 2HB ASN 30 -7.724 -8.617 -5.883 232 1HD2 ASN 30 1HD2 ASN 30 -9.528 -6.518 -5.888 233 2HD2 ASN 30 2HD2 ASN 30 -10.797 -6.806 -4.746 234 H GLY 31 H GLY 31 -4.430 -8.344 -2.745 235 1HA GLY 31 1HA GLY 31 -2.327 -9.018 -3.316 236 2HA GLY 31 2HA GLY 31 -2.880 -9.432 -4.928 237 H PHE 32 H PHE 32 -3.939 -6.289 -3.928 238 HA PHE 32 HA PHE 32 -1.534 -5.019 -4.984 239 1HB PHE 32 1HB PHE 32 -4.412 -4.949 -5.983 240 2HB PHE 32 2HB PHE 32 -3.458 -3.486 -6.135 241 HD1 PHE 32 HD1 PHE 32 -1.622 -3.355 -7.704 242 HD2 PHE 32 HD2 PHE 32 -3.835 -6.950 -7.270 243 HE1 PHE 32 HE1 PHE 32 -0.621 -4.229 -9.833 244 HE2 PHE 32 HE2 PHE 32 -2.834 -7.823 -9.399 245 HZ PHE 32 HZ PHE 32 -1.238 -6.453 -10.656 246 H CYS 33 H CYS 33 -1.323 -2.739 -4.345 247 HA CYS 33 HA CYS 33 -2.059 -2.682 -1.608 248 1HB CYS 33 1HB CYS 33 -0.497 -0.731 -3.311 249 2HB CYS 33 2HB CYS 33 -0.716 -0.574 -1.580 250 H ASP 34 H ASP 34 -3.643 -1.398 -0.609 251 HA ASP 34 HA ASP 34 -4.818 0.659 -2.311 252 1HB ASP 34 1HB ASP 34 -6.429 -1.175 -1.816 253 2HB ASP 34 2HB ASP 34 -6.140 -0.981 -0.097 254 HD2 ASP 34 HD2 ASP 34 -8.473 -0.921 -1.150 255 H CYS 35 H CYS 35 -4.274 2.703 -1.478 256 HA CYS 35 HA CYS 35 -3.071 2.620 1.179 257 1HB CYS 35 1HB CYS 35 -2.601 4.510 -1.136 258 2HB CYS 35 2HB CYS 35 -1.830 4.633 0.432 259 H PHE 36 H PHE 36 -3.617 4.258 2.736 260 HA PHE 36 HA PHE 36 -5.500 6.295 2.030 261 1HB PHE 36 1HB PHE 36 -7.117 5.324 3.845 262 2HB PHE 36 2HB PHE 36 -7.100 4.493 2.301 263 HD1 PHE 36 HD1 PHE 36 -5.886 4.332 5.783 264 HD2 PHE 36 HD2 PHE 36 -6.389 2.233 2.130 265 HE1 PHE 36 HE1 PHE 36 -5.338 2.177 6.947 266 HE2 PHE 36 HE2 PHE 36 -5.842 0.077 3.295 267 HZ PHE 36 HZ PHE 36 -5.322 0.075 5.689 Start of MODEL 18 1 1H ARG 1 1H ARG 1 -4.482 5.515 -2.084 2 2H ARG 1 2H ARG 1 -5.510 6.812 -2.124 3 3H ARG 1 3H ARG 1 -5.966 5.418 -1.355 4 HA ARG 1 HA ARG 1 -7.106 5.401 -3.247 5 1HB ARG 1 1HB ARG 1 -5.955 5.710 -5.499 6 2HB ARG 1 2HB ARG 1 -5.973 7.149 -4.499 7 1HG ARG 1 1HG ARG 1 -3.659 6.787 -3.802 8 2HG ARG 1 2HG ARG 1 -3.623 5.203 -4.548 9 1HD ARG 1 1HD ARG 1 -2.499 6.688 -6.079 10 2HD ARG 1 2HD ARG 1 -4.060 6.342 -6.797 11 HE ARG 1 HE ARG 1 -4.295 8.678 -5.143 12 1HH1 ARG 1 1HH1 ARG 1 -2.804 7.654 -8.161 13 2HH1 ARG 1 2HH1 ARG 1 -2.923 9.217 -8.898 14 1HH2 ARG 1 1HH2 ARG 1 -4.451 10.741 -6.114 15 2HH2 ARG 1 2HH2 ARG 1 -3.849 10.989 -7.719 16 HA PRO 2 HA PRO 2 -5.598 1.307 -4.261 17 1HB PRO 2 1HB PRO 2 -7.293 0.669 -6.308 18 2HB PRO 2 2HB PRO 2 -7.695 0.426 -4.620 19 1HG PRO 2 1HG PRO 2 -8.668 2.512 -6.474 20 2HG PRO 2 2HG PRO 2 -9.354 1.993 -4.948 21 1HD PRO 2 1HD PRO 2 -7.838 4.381 -5.424 22 2HD PRO 2 2HD PRO 2 -8.425 3.804 -3.877 23 H THR 3 H THR 3 -4.112 0.311 -5.606 24 HA THR 3 HA THR 3 -3.449 1.960 -7.951 25 HB THR 3 HB THR 3 -1.037 1.580 -7.319 26 HG1 THR 3 HG1 THR 3 -1.938 -0.368 -5.964 27 1HG2 THR 3 1HG2 THR 3 -0.925 3.101 -5.425 28 2HG2 THR 3 2HG2 THR 3 -2.311 3.627 -6.409 29 3HG2 THR 3 3HG2 THR 3 -2.582 2.686 -4.923 30 H ASP 4 H ASP 4 -1.271 0.337 -8.813 31 HA ASP 4 HA ASP 4 -2.536 -2.281 -9.012 32 1HB ASP 4 1HB ASP 4 -1.598 -2.504 -11.280 33 2HB ASP 4 2HB ASP 4 -2.631 -1.092 -11.189 34 HD2 ASP 4 HD2 ASP 4 0.717 -0.451 -12.785 35 H ILE 5 H ILE 5 -0.382 -0.872 -7.240 36 HA ILE 5 HA ILE 5 2.072 -2.138 -7.953 37 HB ILE 5 HB ILE 5 1.126 -0.747 -5.448 38 1HG1 ILE 5 1HG1 ILE 5 3.103 0.268 -7.491 39 2HG1 ILE 5 2HG1 ILE 5 1.379 0.523 -7.679 40 1HG2 ILE 5 1HG2 ILE 5 2.863 -2.339 -4.860 41 2HG2 ILE 5 2HG2 ILE 5 3.903 -1.727 -6.169 42 3HG2 ILE 5 3HG2 ILE 5 3.497 -0.678 -4.789 43 1HD1 ILE 5 1HD1 ILE 5 1.340 1.541 -5.349 44 2HD1 ILE 5 2HD1 ILE 5 3.116 1.431 -5.342 45 3HD1 ILE 5 3HD1 ILE 5 2.292 2.461 -6.538 46 H LYS 6 H LYS 6 2.505 -4.273 -7.758 47 HA LYS 6 HA LYS 6 0.470 -5.887 -6.575 48 1HB LYS 6 1HB LYS 6 1.650 -6.373 -8.740 49 2HB LYS 6 2HB LYS 6 3.099 -6.733 -7.822 50 1HG LYS 6 1HG LYS 6 1.932 -8.534 -6.598 51 2HG LYS 6 2HG LYS 6 0.417 -8.126 -7.378 52 1HD LYS 6 1HD LYS 6 1.419 -8.682 -9.607 53 2HD LYS 6 2HD LYS 6 2.929 -9.097 -8.822 54 1HE LYS 6 1HE LYS 6 1.757 -10.884 -7.514 55 2HE LYS 6 2HE LYS 6 0.246 -10.467 -8.296 56 1HZ LYS 6 1HZ LYS 6 1.255 -11.021 -10.407 57 2HZ LYS 6 2HZ LYS 6 2.663 -11.409 -9.678 58 3HZ LYS 6 3HZ LYS 6 1.323 -12.296 -9.390 59 H CYS 7 H CYS 7 0.653 -7.316 -4.792 60 HA CYS 7 HA CYS 7 3.064 -7.227 -3.238 61 1HB CYS 7 1HB CYS 7 1.819 -6.463 -1.178 62 2HB CYS 7 2HB CYS 7 2.240 -5.233 -2.355 63 H SER 8 H SER 8 2.987 -8.911 -1.527 64 HA SER 8 HA SER 8 0.824 -10.789 -1.954 65 1HB SER 8 1HB SER 8 2.234 -12.393 -0.730 66 2HB SER 8 2HB SER 8 3.138 -11.663 -2.041 67 HG SER 8 HG SER 8 4.035 -11.818 0.345 68 H GLU 9 H GLU 9 1.964 -8.315 0.242 69 HA GLU 9 HA GLU 9 0.153 -9.187 2.292 70 1HB GLU 9 1HB GLU 9 3.073 -9.651 2.414 71 2HB GLU 9 2HB GLU 9 2.454 -8.789 3.810 72 1HG GLU 9 1HG GLU 9 1.201 -11.361 2.747 73 2HG GLU 9 2HG GLU 9 2.424 -11.339 4.001 74 HE2 GLU 9 HE2 GLU 9 0.279 -12.356 4.584 75 H SER 10 H SER 10 0.288 -7.528 4.244 76 HA SER 10 HA SER 10 -0.306 -5.179 2.755 77 1HB SER 10 1HB SER 10 -0.764 -6.032 5.637 78 2HB SER 10 2HB SER 10 -1.179 -4.422 5.082 79 HG SER 10 HG SER 10 -2.988 -5.910 4.955 80 H TYR 11 H TYR 11 2.109 -6.285 5.126 81 HA TYR 11 HA TYR 11 2.936 -3.704 5.948 82 1HB TYR 11 1HB TYR 11 4.644 -5.044 7.082 83 2HB TYR 11 2HB TYR 11 3.207 -6.047 7.056 84 HD1 TYR 11 HD1 TYR 11 3.189 -8.152 5.939 85 HD2 TYR 11 HD2 TYR 11 6.477 -5.469 5.381 86 HE1 TYR 11 HE1 TYR 11 4.504 -9.992 4.779 87 HE2 TYR 11 HE2 TYR 11 7.780 -7.320 4.223 88 HH TYR 11 HH TYR 11 7.795 -9.376 3.578 89 H GLN 12 H GLN 12 3.371 -5.476 3.019 90 HA GLN 12 HA GLN 12 5.876 -4.344 2.360 91 1HB GLN 12 1HB GLN 12 3.687 -5.554 0.615 92 2HB GLN 12 2HB GLN 12 5.281 -5.115 0.033 93 1HG GLN 12 1HG GLN 12 6.362 -6.757 1.432 94 2HG GLN 12 2HG GLN 12 4.918 -7.002 2.395 95 1HE2 GLN 12 1HE2 GLN 12 5.946 -9.208 1.546 96 2HE2 GLN 12 2HE2 GLN 12 5.058 -9.924 0.242 97 H CYS 13 H CYS 13 2.481 -3.325 2.208 98 HA CYS 13 HA CYS 13 3.014 -1.438 0.102 99 1HB CYS 13 1HB CYS 13 0.486 -2.010 1.662 100 2HB CYS 13 2HB CYS 13 0.608 -0.920 0.295 101 H PHE 14 H PHE 14 2.736 -1.596 3.651 102 HA PHE 14 HA PHE 14 1.457 0.825 4.043 103 1HB PHE 14 1HB PHE 14 1.474 -0.467 5.988 104 2HB PHE 14 2HB PHE 14 2.969 -1.261 5.538 105 HD1 PHE 14 HD1 PHE 14 4.665 -0.999 7.062 106 HD2 PHE 14 HD2 PHE 14 1.950 2.212 6.493 107 HE1 PHE 14 HE1 PHE 14 5.897 0.349 8.784 108 HE2 PHE 14 HE2 PHE 14 3.182 3.560 8.215 109 HZ PHE 14 HZ PHE 14 5.141 2.612 9.339 110 HA PRO 15 HA PRO 15 5.815 2.628 4.575 111 1HB PRO 15 1HB PRO 15 7.965 1.241 3.616 112 2HB PRO 15 2HB PRO 15 7.470 1.198 5.296 113 1HG PRO 15 1HG PRO 15 7.121 -0.865 3.209 114 2HG PRO 15 2HG PRO 15 7.028 -1.039 4.950 115 1HD PRO 15 1HD PRO 15 4.825 -0.935 3.115 116 2HD PRO 15 2HD PRO 15 4.731 -0.992 4.864 117 H VAL 16 H VAL 16 5.312 0.739 1.685 118 HA VAL 16 HA VAL 16 6.526 2.502 -0.090 119 HB VAL 16 HB VAL 16 4.653 0.257 -0.146 120 1HG1 VAL 16 1HG1 VAL 16 4.472 2.394 -2.292 121 2HG1 VAL 16 2HG1 VAL 16 3.897 0.721 -2.494 122 3HG1 VAL 16 3HG1 VAL 16 3.159 1.773 -1.263 123 1HG2 VAL 16 1HG2 VAL 16 6.030 -0.416 -2.050 124 2HG2 VAL 16 2HG2 VAL 16 6.808 1.186 -2.074 125 3HG2 VAL 16 3HG2 VAL 16 7.054 0.097 -0.687 126 H CYS 17 H CYS 17 3.311 2.514 1.499 127 HA CYS 17 HA CYS 17 2.283 4.502 -0.250 128 1HB CYS 17 1HB CYS 17 1.286 3.345 2.356 129 2HB CYS 17 2HB CYS 17 0.422 4.581 1.465 130 H LYS 18 H LYS 18 3.756 4.345 3.035 131 HA LYS 18 HA LYS 18 3.205 7.026 3.702 132 1HB LYS 18 1HB LYS 18 3.648 5.242 5.348 133 2HB LYS 18 2HB LYS 18 5.304 5.125 4.787 134 1HG LYS 18 1HG LYS 18 5.850 7.326 5.569 135 2HG LYS 18 2HG LYS 18 4.165 7.784 5.726 136 1HD LYS 18 1HD LYS 18 5.095 7.335 7.953 137 2HD LYS 18 2HD LYS 18 3.883 6.126 7.577 138 1HE LYS 18 1HE LYS 18 5.890 5.062 8.558 139 2HE LYS 18 2HE LYS 18 5.654 4.516 6.909 140 1HZ LYS 18 1HZ LYS 18 7.370 5.857 6.170 141 2HZ LYS 18 2HZ LYS 18 7.383 6.799 7.504 142 3HZ LYS 18 3HZ LYS 18 7.947 5.268 7.579 143 H SER 19 H SER 19 5.762 5.389 1.853 144 HA SER 19 HA SER 19 7.481 7.634 1.911 145 1HB SER 19 1HB SER 19 8.374 5.372 1.587 146 2HB SER 19 2HB SER 19 7.407 5.151 0.141 147 HG SER 19 HG SER 19 9.568 7.046 0.508 148 H ARG 20 H ARG 20 5.100 6.217 -0.429 149 HA ARG 20 HA ARG 20 6.011 7.975 -2.455 150 1HB ARG 20 1HB ARG 20 5.286 5.742 -3.102 151 2HB ARG 20 2HB ARG 20 3.741 5.938 -2.297 152 1HG ARG 20 1HG ARG 20 3.441 6.224 -4.718 153 2HG ARG 20 2HG ARG 20 3.125 7.747 -3.909 154 1HD ARG 20 1HD ARG 20 5.435 8.528 -4.452 155 2HD ARG 20 2HD ARG 20 5.778 6.997 -5.234 156 HE ARG 20 HE ARG 20 4.554 7.700 -7.102 157 1HH1 ARG 20 1HH1 ARG 20 3.838 9.810 -4.379 158 2HH1 ARG 20 2HH1 ARG 20 2.837 10.878 -5.304 159 1HH2 ARG 20 1HH2 ARG 20 3.234 9.111 -8.325 160 2HH2 ARG 20 2HH2 ARG 20 2.517 10.495 -7.571 161 H PHE 21 H PHE 21 2.874 7.474 -0.660 162 HA PHE 21 HA PHE 21 1.876 9.884 -1.971 163 1HB PHE 21 1HB PHE 21 0.591 7.571 -0.397 164 2HB PHE 21 2HB PHE 21 -0.331 8.883 -1.103 165 HD1 PHE 21 HD1 PHE 21 0.776 5.618 -1.605 166 HD2 PHE 21 HD2 PHE 21 0.145 9.249 -3.706 167 HE1 PHE 21 HE1 PHE 21 0.613 4.341 -3.760 168 HE2 PHE 21 HE2 PHE 21 -0.018 7.975 -5.862 169 HZ PHE 21 HZ PHE 21 0.217 5.535 -5.863 170 H GLY 22 H GLY 22 3.023 8.667 1.087 171 1HA GLY 22 1HA GLY 22 3.310 9.773 3.048 172 2HA GLY 22 2HA GLY 22 2.503 11.179 2.384 173 H LYS 23 H LYS 23 1.011 7.946 2.236 174 HA LYS 23 HA LYS 23 -1.225 8.963 3.734 175 1HB LYS 23 1HB LYS 23 -0.706 6.345 2.302 176 2HB LYS 23 2HB LYS 23 -2.191 6.702 3.160 177 1HG LYS 23 1HG LYS 23 -1.340 8.851 1.288 178 2HG LYS 23 2HG LYS 23 -1.696 7.327 0.500 179 1HD LYS 23 1HD LYS 23 -3.936 7.258 1.478 180 2HD LYS 23 2HD LYS 23 -3.588 8.632 2.507 181 1HE LYS 23 1HE LYS 23 -3.288 10.070 0.467 182 2HE LYS 23 2HE LYS 23 -3.674 8.695 -0.548 183 1HZ LYS 23 1HZ LYS 23 -5.820 8.577 0.535 184 2HZ LYS 23 2HZ LYS 23 -5.461 9.868 1.469 185 3HZ LYS 23 3HZ LYS 23 -5.599 10.044 -0.148 186 H THR 24 H THR 24 -2.238 7.195 5.359 187 HA THR 24 HA THR 24 -0.220 7.273 7.447 188 HB THR 24 HB THR 24 -2.111 7.348 8.910 189 HG1 THR 24 HG1 THR 24 -3.459 6.236 6.550 190 1HG2 THR 24 1HG2 THR 24 -2.072 9.229 6.998 191 2HG2 THR 24 2HG2 THR 24 -3.538 8.383 6.449 192 3HG2 THR 24 3HG2 THR 24 -3.474 9.082 8.085 193 H ASN 25 H ASN 25 -2.041 4.933 5.503 194 HA ASN 25 HA ASN 25 -0.315 2.896 6.431 195 1HB ASN 25 1HB ASN 25 -2.136 3.007 8.243 196 2HB ASN 25 2HB ASN 25 -3.303 2.563 7.013 197 1HD2 ASN 25 1HD2 ASN 25 -3.703 0.742 8.408 198 2HD2 ASN 25 2HD2 ASN 25 -2.728 -0.685 8.286 199 H GLY 26 H GLY 26 -0.715 0.847 5.128 200 1HA GLY 26 1HA GLY 26 -2.660 1.144 2.945 201 2HA GLY 26 2HA GLY 26 -0.970 0.904 2.551 202 H ARG 27 H ARG 27 -3.353 -0.869 2.064 203 HA ARG 27 HA ARG 27 -2.296 -3.190 3.447 204 1HB ARG 27 1HB ARG 27 -5.219 -2.347 3.218 205 2HB ARG 27 2HB ARG 27 -4.772 -4.012 3.531 206 1HG ARG 27 1HG ARG 27 -3.528 -3.324 5.569 207 2HG ARG 27 2HG ARG 27 -3.889 -1.641 5.244 208 1HD ARG 27 1HD ARG 27 -6.350 -2.154 5.423 209 2HD ARG 27 2HD ARG 27 -5.962 -3.821 5.801 210 HE ARG 27 HE ARG 27 -4.490 -2.230 7.620 211 1HH1 ARG 27 1HH1 ARG 27 -7.846 -2.994 6.893 212 2HH1 ARG 27 2HH1 ARG 27 -8.413 -2.605 8.482 213 1HH2 ARG 27 1HH2 ARG 27 -5.238 -1.712 9.718 214 2HH2 ARG 27 2HH2 ARG 27 -6.915 -1.899 10.109 215 H CYS 28 H CYS 28 -2.820 -5.276 2.281 216 HA CYS 28 HA CYS 28 -2.552 -4.703 -0.540 217 1HB CYS 28 1HB CYS 28 -0.958 -6.168 0.792 218 2HB CYS 28 2HB CYS 28 -2.231 -7.370 0.835 219 H VAL 29 H VAL 29 -4.634 -4.371 -1.386 220 HA VAL 29 HA VAL 29 -6.716 -6.251 -0.596 221 HB VAL 29 HB VAL 29 -6.768 -3.662 -2.159 222 1HG1 VAL 29 1HG1 VAL 29 -9.258 -3.833 -1.855 223 2HG1 VAL 29 2HG1 VAL 29 -8.563 -5.035 -2.968 224 3HG1 VAL 29 3HG1 VAL 29 -9.020 -5.512 -1.316 225 1HG2 VAL 29 1HG2 VAL 29 -6.268 -3.300 0.189 226 2HG2 VAL 29 2HG2 VAL 29 -7.938 -2.787 -0.150 227 3HG2 VAL 29 3HG2 VAL 29 -7.633 -4.335 0.674 228 H ASN 30 H ASN 30 -6.819 -8.111 -1.749 229 HA ASN 30 HA ASN 30 -7.011 -9.453 -3.440 230 1HB ASN 30 1HB ASN 30 -7.461 -6.957 -5.159 231 2HB ASN 30 2HB ASN 30 -7.918 -8.591 -5.595 232 1HD2 ASN 30 1HD2 ASN 30 -9.704 -6.478 -5.518 233 2HD2 ASN 30 2HD2 ASN 30 -10.865 -6.710 -4.254 234 H GLY 31 H GLY 31 -4.351 -8.296 -2.771 235 1HA GLY 31 1HA GLY 31 -2.329 -9.044 -3.536 236 2HA GLY 31 2HA GLY 31 -3.030 -9.394 -5.104 237 H PHE 32 H PHE 32 -3.962 -6.265 -4.023 238 HA PHE 32 HA PHE 32 -1.611 -5.017 -5.223 239 1HB PHE 32 1HB PHE 32 -4.587 -4.586 -5.879 240 2HB PHE 32 2HB PHE 32 -3.324 -3.503 -6.434 241 HD1 PHE 32 HD1 PHE 32 -5.246 -6.326 -7.253 242 HD2 PHE 32 HD2 PHE 32 -1.380 -4.661 -7.786 243 HE1 PHE 32 HE1 PHE 32 -4.907 -7.762 -9.283 244 HE2 PHE 32 HE2 PHE 32 -1.040 -6.098 -9.816 245 HZ PHE 32 HZ PHE 32 -2.808 -7.631 -10.541 246 H CYS 33 H CYS 33 -1.236 -2.822 -4.514 247 HA CYS 33 HA CYS 33 -1.897 -2.673 -1.775 248 1HB CYS 33 1HB CYS 33 -0.396 -0.765 -3.579 249 2HB CYS 33 2HB CYS 33 -0.549 -0.568 -1.845 250 H ASP 34 H ASP 34 -3.350 -1.244 -0.714 251 HA ASP 34 HA ASP 34 -4.435 0.869 -2.385 252 1HB ASP 34 1HB ASP 34 -6.129 -0.987 -2.053 253 2HB ASP 34 2HB ASP 34 -6.020 -0.734 -0.322 254 HD2 ASP 34 HD2 ASP 34 -8.235 -0.642 -1.292 255 H CYS 35 H CYS 35 -4.346 2.896 -1.302 256 HA CYS 35 HA CYS 35 -3.089 2.696 1.334 257 1HB CYS 35 1HB CYS 35 -2.750 4.905 -0.701 258 2HB CYS 35 2HB CYS 35 -1.873 4.707 0.803 259 H PHE 36 H PHE 36 -3.762 4.218 2.972 260 HA PHE 36 HA PHE 36 -5.790 6.138 2.336 261 1HB PHE 36 1HB PHE 36 -7.406 5.027 3.981 262 2HB PHE 36 2HB PHE 36 -7.153 4.085 2.525 263 HD1 PHE 36 HD1 PHE 36 -6.601 4.249 6.121 264 HD2 PHE 36 HD2 PHE 36 -5.832 2.020 2.593 265 HE1 PHE 36 HE1 PHE 36 -5.923 2.275 7.516 266 HE2 PHE 36 HE2 PHE 36 -5.154 0.046 3.987 267 HZ PHE 36 HZ PHE 36 -5.207 0.197 6.432 Start of MODEL 19 1 1H ARG 1 1H ARG 1 -7.990 5.612 -1.451 2 2H ARG 1 2H ARG 1 -8.280 4.008 -1.158 3 3H ARG 1 3H ARG 1 -6.724 4.568 -1.230 4 HA ARG 1 HA ARG 1 -8.665 4.201 -3.308 5 1HB ARG 1 1HB ARG 1 -6.949 5.343 -4.859 6 2HB ARG 1 2HB ARG 1 -7.853 6.409 -3.801 7 1HG ARG 1 1HG ARG 1 -5.985 6.537 -2.220 8 2HG ARG 1 2HG ARG 1 -5.099 5.299 -3.091 9 1HD ARG 1 1HD ARG 1 -5.935 7.902 -4.439 10 2HD ARG 1 2HD ARG 1 -4.440 7.779 -3.532 11 HE ARG 1 HE ARG 1 -5.029 6.515 -6.125 12 1HH1 ARG 1 1HH1 ARG 1 -3.024 6.287 -3.247 13 2HH1 ARG 1 2HH1 ARG 1 -1.640 5.688 -4.098 14 1HH2 ARG 1 1HH2 ARG 1 -3.214 5.688 -7.250 15 2HH2 ARG 1 2HH2 ARG 1 -1.773 5.279 -6.380 16 HA PRO 2 HA PRO 2 -5.885 0.859 -4.166 17 1HB PRO 2 1HB PRO 2 -6.661 0.234 -6.711 18 2HB PRO 2 2HB PRO 2 -7.489 -0.358 -5.284 19 1HG PRO 2 1HG PRO 2 -8.327 1.762 -7.165 20 2HG PRO 2 2HG PRO 2 -9.299 0.872 -6.010 21 1HD PRO 2 1HD PRO 2 -8.343 3.562 -5.737 22 2HD PRO 2 2HD PRO 2 -9.215 2.632 -4.534 23 H THR 3 H THR 3 -4.051 0.169 -5.517 24 HA THR 3 HA THR 3 -3.230 2.317 -7.342 25 HB THR 3 HB THR 3 -1.015 2.330 -6.409 26 HG1 THR 3 HG1 THR 3 -2.046 -0.010 -4.964 27 1HG2 THR 3 1HG2 THR 3 -2.768 3.347 -4.820 28 2HG2 THR 3 2HG2 THR 3 -2.761 1.790 -3.957 29 3HG2 THR 3 3HG2 THR 3 -1.279 2.774 -4.031 30 H ASP 4 H ASP 4 -0.813 1.056 -8.162 31 HA ASP 4 HA ASP 4 -2.009 -1.238 -9.506 32 1HB ASP 4 1HB ASP 4 -0.487 -0.750 -11.383 33 2HB ASP 4 2HB ASP 4 -1.455 0.662 -11.006 34 HD2 ASP 4 HD2 ASP 4 1.495 2.205 -9.519 35 H ILE 5 H ILE 5 -0.102 -0.556 -6.950 36 HA ILE 5 HA ILE 5 2.336 -1.872 -7.707 37 HB ILE 5 HB ILE 5 1.328 -0.727 -5.101 38 1HG1 ILE 5 1HG1 ILE 5 3.461 0.333 -6.971 39 2HG1 ILE 5 2HG1 ILE 5 1.784 0.840 -7.037 40 1HG2 ILE 5 1HG2 ILE 5 2.896 -2.555 -4.666 41 2HG2 ILE 5 2HG2 ILE 5 4.082 -1.808 -5.762 42 3HG2 ILE 5 3HG2 ILE 5 3.608 -0.975 -4.262 43 1HD1 ILE 5 1HD1 ILE 5 2.887 2.452 -5.650 44 2HD1 ILE 5 2HD1 ILE 5 1.991 1.401 -4.526 45 3HD1 ILE 5 3HD1 ILE 5 3.746 1.188 -4.736 46 H LYS 6 H LYS 6 2.673 -4.025 -7.677 47 HA LYS 6 HA LYS 6 0.566 -5.692 -6.676 48 1HB LYS 6 1HB LYS 6 1.822 -6.036 -8.844 49 2HB LYS 6 2HB LYS 6 3.214 -6.515 -7.894 50 1HG LYS 6 1HG LYS 6 2.203 -8.592 -8.273 51 2HG LYS 6 2HG LYS 6 1.521 -8.174 -6.714 52 1HD LYS 6 1HD LYS 6 -0.458 -7.131 -7.985 53 2HD LYS 6 2HD LYS 6 0.197 -7.851 -9.442 54 1HE LYS 6 1HE LYS 6 -0.505 -9.437 -6.926 55 2HE LYS 6 2HE LYS 6 -1.581 -9.257 -8.298 56 1HZ LYS 6 1HZ LYS 6 0.246 -10.201 -9.660 57 2HZ LYS 6 2HZ LYS 6 1.053 -10.547 -8.283 58 3HZ LYS 6 3HZ LYS 6 -0.394 -11.243 -8.577 59 H CYS 7 H CYS 7 0.607 -7.070 -4.897 60 HA CYS 7 HA CYS 7 3.029 -7.211 -3.345 61 1HB CYS 7 1HB CYS 7 1.846 -6.466 -1.261 62 2HB CYS 7 2HB CYS 7 2.270 -5.204 -2.400 63 H SER 8 H SER 8 2.845 -8.964 -1.698 64 HA SER 8 HA SER 8 0.576 -10.690 -2.169 65 1HB SER 8 1HB SER 8 1.820 -12.352 -0.856 66 2HB SER 8 2HB SER 8 2.843 -11.690 -2.115 67 HG SER 8 HG SER 8 3.934 -10.403 -0.590 68 H GLU 9 H GLU 9 1.764 -8.260 0.097 69 HA GLU 9 HA GLU 9 0.000 -9.194 2.164 70 1HB GLU 9 1HB GLU 9 3.009 -9.488 2.275 71 2HB GLU 9 2HB GLU 9 2.115 -9.204 3.754 72 1HG GLU 9 1HG GLU 9 0.830 -11.221 3.499 73 2HG GLU 9 2HG GLU 9 1.291 -11.402 1.818 74 HE2 GLU 9 HE2 GLU 9 3.436 -11.692 1.444 75 H SER 10 H SER 10 0.289 -7.684 4.217 76 HA SER 10 HA SER 10 -0.322 -5.244 2.905 77 1HB SER 10 1HB SER 10 -0.565 -6.150 5.806 78 2HB SER 10 2HB SER 10 -1.105 -4.580 5.247 79 HG SER 10 HG SER 10 -2.042 -7.140 4.260 80 H TYR 11 H TYR 11 2.234 -6.528 5.018 81 HA TYR 11 HA TYR 11 3.136 -4.015 5.971 82 1HB TYR 11 1HB TYR 11 4.860 -5.443 6.937 83 2HB TYR 11 2HB TYR 11 3.434 -6.460 6.870 84 HD1 TYR 11 HD1 TYR 11 3.383 -8.441 5.531 85 HD2 TYR 11 HD2 TYR 11 6.662 -5.714 5.195 86 HE1 TYR 11 HE1 TYR 11 4.679 -10.157 4.176 87 HE2 TYR 11 HE2 TYR 11 7.948 -7.440 3.841 88 HH TYR 11 HH TYR 11 7.934 -9.404 2.956 89 H GLN 12 H GLN 12 3.460 -5.682 2.935 90 HA GLN 12 HA GLN 12 5.887 -4.466 2.185 91 1HB GLN 12 1HB GLN 12 3.600 -5.573 0.497 92 2HB GLN 12 2HB GLN 12 5.166 -5.111 -0.138 93 1HG GLN 12 1HG GLN 12 6.259 -6.778 1.398 94 2HG GLN 12 2HG GLN 12 4.679 -7.259 1.982 95 1HE2 GLN 12 1HE2 GLN 12 6.914 -7.273 -0.682 96 2HE2 GLN 12 2HE2 GLN 12 6.145 -8.488 -1.649 97 H CYS 13 H CYS 13 2.471 -3.471 2.263 98 HA CYS 13 HA CYS 13 2.885 -1.532 0.178 99 1HB CYS 13 1HB CYS 13 0.427 -2.196 1.811 100 2HB CYS 13 2HB CYS 13 0.474 -1.076 0.464 101 H PHE 14 H PHE 14 2.587 -1.745 3.749 102 HA PHE 14 HA PHE 14 1.307 0.682 4.112 103 1HB PHE 14 1HB PHE 14 1.246 -0.626 6.047 104 2HB PHE 14 2HB PHE 14 2.750 -1.428 5.645 105 HD1 PHE 14 HD1 PHE 14 4.401 -1.186 7.218 106 HD2 PHE 14 HD2 PHE 14 1.714 2.039 6.601 107 HE1 PHE 14 HE1 PHE 14 5.582 0.139 8.994 108 HE2 PHE 14 HE2 PHE 14 2.895 3.363 8.377 109 HZ PHE 14 HZ PHE 14 4.815 2.398 9.552 110 HA PRO 15 HA PRO 15 5.656 2.443 4.832 111 1HB PRO 15 1HB PRO 15 7.832 1.053 3.935 112 2HB PRO 15 2HB PRO 15 7.270 0.988 5.594 113 1HG PRO 15 1HG PRO 15 6.988 -1.038 3.460 114 2HG PRO 15 2HG PRO 15 6.825 -1.239 5.194 115 1HD PRO 15 1HD PRO 15 4.697 -1.088 3.277 116 2HD PRO 15 2HD PRO 15 4.533 -1.173 5.020 117 H VAL 16 H VAL 16 5.070 0.675 1.912 118 HA VAL 16 HA VAL 16 6.559 2.415 0.259 119 HB VAL 16 HB VAL 16 4.948 0.051 0.046 120 1HG1 VAL 16 1HG1 VAL 16 4.396 2.176 -2.052 121 2HG1 VAL 16 2HG1 VAL 16 3.983 0.452 -2.207 122 3HG1 VAL 16 3HG1 VAL 16 3.216 1.440 -0.941 123 1HG2 VAL 16 1HG2 VAL 16 7.312 0.242 -0.592 124 2HG2 VAL 16 2HG2 VAL 16 6.318 -0.319 -1.958 125 3HG2 VAL 16 3HG2 VAL 16 6.875 1.371 -1.896 126 H CYS 17 H CYS 17 3.238 2.400 1.573 127 HA CYS 17 HA CYS 17 2.292 4.342 -0.260 128 1HB CYS 17 1HB CYS 17 1.204 3.222 2.321 129 2HB CYS 17 2HB CYS 17 0.382 4.487 1.428 130 H LYS 18 H LYS 18 3.688 4.287 3.054 131 HA LYS 18 HA LYS 18 3.106 7.006 3.599 132 1HB LYS 18 1HB LYS 18 3.441 5.215 5.310 133 2HB LYS 18 2HB LYS 18 5.144 5.178 4.902 134 1HG LYS 18 1HG LYS 18 5.390 7.557 5.533 135 2HG LYS 18 2HG LYS 18 3.668 7.686 5.831 136 1HD LYS 18 1HD LYS 18 3.913 5.859 7.596 137 2HD LYS 18 2HD LYS 18 5.648 5.941 7.367 138 1HE LYS 18 1HE LYS 18 3.918 8.334 8.153 139 2HE LYS 18 2HE LYS 18 4.794 7.343 9.301 140 1HZ LYS 18 1HZ LYS 18 5.931 8.994 7.161 141 2HZ LYS 18 2HZ LYS 18 6.148 9.156 8.772 142 3HZ LYS 18 3HZ LYS 18 6.813 7.892 7.981 143 H SER 19 H SER 19 5.777 5.231 2.040 144 HA SER 19 HA SER 19 7.535 7.433 2.111 145 1HB SER 19 1HB SER 19 8.352 5.118 1.914 146 2HB SER 19 2HB SER 19 7.508 4.914 0.391 147 HG SER 19 HG SER 19 8.928 6.308 -0.640 148 H ARG 20 H ARG 20 5.252 6.023 -0.325 149 HA ARG 20 HA ARG 20 6.347 7.698 -2.340 150 1HB ARG 20 1HB ARG 20 5.597 5.404 -2.880 151 2HB ARG 20 2HB ARG 20 3.971 5.769 -2.337 152 1HG ARG 20 1HG ARG 20 4.047 5.898 -4.784 153 2HG ARG 20 2HG ARG 20 3.762 7.500 -4.135 154 1HD ARG 20 1HD ARG 20 6.638 6.742 -4.529 155 2HD ARG 20 2HD ARG 20 5.695 6.953 -5.991 156 HE ARG 20 HE ARG 20 6.561 9.052 -4.193 157 1HH1 ARG 20 1HH1 ARG 20 4.006 8.140 -6.433 158 2HH1 ARG 20 2HH1 ARG 20 3.497 9.773 -6.716 159 1HH2 ARG 20 1HH2 ARG 20 5.856 11.201 -4.525 160 2HH2 ARG 20 2HH2 ARG 20 4.567 11.525 -5.635 161 H PHE 21 H PHE 21 3.041 7.258 -0.842 162 HA PHE 21 HA PHE 21 2.221 9.649 -2.296 163 1HB PHE 21 1HB PHE 21 0.730 7.396 -0.821 164 2HB PHE 21 2HB PHE 21 -0.077 8.681 -1.697 165 HD1 PHE 21 HD1 PHE 21 0.580 8.914 -4.223 166 HD2 PHE 21 HD2 PHE 21 1.206 5.409 -1.916 167 HE1 PHE 21 HE1 PHE 21 0.684 7.549 -6.326 168 HE2 PHE 21 HE2 PHE 21 1.311 4.043 -4.019 169 HZ PHE 21 HZ PHE 21 1.049 5.130 -6.199 170 H GLY 22 H GLY 22 3.242 8.677 0.815 171 1HA GLY 22 1HA GLY 22 3.406 9.903 2.707 172 2HA GLY 22 2HA GLY 22 2.590 11.233 1.909 173 H LYS 23 H LYS 23 1.125 7.995 1.944 174 HA LYS 23 HA LYS 23 -1.148 9.097 3.317 175 1HB LYS 23 1HB LYS 23 -0.591 6.401 2.053 176 2HB LYS 23 2HB LYS 23 -2.098 6.802 2.851 177 1HG LYS 23 1HG LYS 23 -1.219 8.856 0.896 178 2HG LYS 23 2HG LYS 23 -1.515 7.287 0.171 179 1HD LYS 23 1HD LYS 23 -3.786 7.218 1.122 180 2HD LYS 23 2HD LYS 23 -3.498 8.694 2.020 181 1HE LYS 23 1HE LYS 23 -3.195 9.944 -0.127 182 2HE LYS 23 2HE LYS 23 -3.471 8.467 -1.029 183 1HZ LYS 23 1HZ LYS 23 -5.401 9.721 0.800 184 2HZ LYS 23 2HZ LYS 23 -5.469 9.760 -0.831 185 3HZ LYS 23 3HZ LYS 23 -5.658 8.344 -0.039 186 H THR 24 H THR 24 -2.197 7.743 5.128 187 HA THR 24 HA THR 24 -0.225 7.774 7.205 188 HB THR 24 HB THR 24 -2.396 7.224 8.552 189 HG1 THR 24 HG1 THR 24 -4.278 7.294 7.207 190 1HG2 THR 24 1HG2 THR 24 -1.591 9.602 8.187 191 2HG2 THR 24 2HG2 THR 24 -2.506 9.632 6.660 192 3HG2 THR 24 3HG2 THR 24 -3.365 9.469 8.210 193 H ASN 25 H ASN 25 -2.028 5.293 5.381 194 HA ASN 25 HA ASN 25 -0.213 3.344 6.354 195 1HB ASN 25 1HB ASN 25 -2.049 3.515 8.168 196 2HB ASN 25 2HB ASN 25 -3.182 2.927 6.967 197 1HD2 ASN 25 1HD2 ASN 25 -0.240 2.205 8.753 198 2HD2 ASN 25 2HD2 ASN 25 -0.324 0.476 8.660 199 H GLY 26 H GLY 26 -0.755 1.142 5.249 200 1HA GLY 26 1HA GLY 26 -2.698 1.316 3.074 201 2HA GLY 26 2HA GLY 26 -1.016 1.117 2.625 202 H ARG 27 H ARG 27 -3.037 -0.828 2.042 203 HA ARG 27 HA ARG 27 -1.839 -3.042 3.393 204 1HB ARG 27 1HB ARG 27 -4.082 -4.057 3.986 205 2HB ARG 27 2HB ARG 27 -3.702 -2.624 4.919 206 1HG ARG 27 1HG ARG 27 -5.099 -1.237 3.392 207 2HG ARG 27 2HG ARG 27 -5.448 -2.646 2.411 208 1HD ARG 27 1HD ARG 27 -7.338 -2.318 3.899 209 2HD ARG 27 2HD ARG 27 -6.486 -3.748 4.450 210 HE ARG 27 HE ARG 27 -5.414 -1.453 5.802 211 1HH1 ARG 27 1HH1 ARG 27 -8.364 -3.367 5.682 212 2HH1 ARG 27 2HH1 ARG 27 -8.765 -3.088 7.343 213 1HH2 ARG 27 1HH2 ARG 27 -5.934 -1.097 7.999 214 2HH2 ARG 27 2HH2 ARG 27 -7.388 -1.766 8.663 215 H CYS 28 H CYS 28 -2.676 -5.194 2.346 216 HA CYS 28 HA CYS 28 -2.560 -4.590 -0.484 217 1HB CYS 28 1HB CYS 28 -0.932 -6.122 0.784 218 2HB CYS 28 2HB CYS 28 -2.227 -7.303 0.784 219 H VAL 29 H VAL 29 -4.546 -4.450 -1.486 220 HA VAL 29 HA VAL 29 -6.641 -6.275 -0.553 221 HB VAL 29 HB VAL 29 -6.756 -3.704 -2.143 222 1HG1 VAL 29 1HG1 VAL 29 -9.241 -3.921 -1.813 223 2HG1 VAL 29 2HG1 VAL 29 -8.531 -5.117 -2.923 224 3HG1 VAL 29 3HG1 VAL 29 -8.962 -5.591 -1.263 225 1HG2 VAL 29 1HG2 VAL 29 -7.619 -4.352 0.697 226 2HG2 VAL 29 2HG2 VAL 29 -6.237 -3.339 0.214 227 3HG2 VAL 29 3HG2 VAL 29 -7.898 -2.808 -0.144 228 H ASN 30 H ASN 30 -6.616 -8.168 -1.676 229 HA ASN 30 HA ASN 30 -6.866 -9.519 -3.351 230 1HB ASN 30 1HB ASN 30 -7.540 -7.042 -5.024 231 2HB ASN 30 2HB ASN 30 -7.944 -8.693 -5.445 232 1HD2 ASN 30 1HD2 ASN 30 -9.830 -6.689 -5.246 233 2HD2 ASN 30 2HD2 ASN 30 -10.894 -6.979 -3.910 234 H GLY 31 H GLY 31 -4.214 -8.238 -2.866 235 1HA GLY 31 1HA GLY 31 -2.270 -9.088 -3.782 236 2HA GLY 31 2HA GLY 31 -3.056 -9.276 -5.336 237 H PHE 32 H PHE 32 -4.000 -6.250 -4.232 238 HA PHE 32 HA PHE 32 -1.615 -4.944 -5.320 239 1HB PHE 32 1HB PHE 32 -4.587 -4.690 -6.024 240 2HB PHE 32 2HB PHE 32 -3.496 -3.354 -6.336 241 HD1 PHE 32 HD1 PHE 32 -4.643 -6.584 -7.455 242 HD2 PHE 32 HD2 PHE 32 -1.600 -3.667 -7.941 243 HE1 PHE 32 HE1 PHE 32 -3.999 -7.621 -9.649 244 HE2 PHE 32 HE2 PHE 32 -0.957 -4.704 -10.135 245 HZ PHE 32 HZ PHE 32 -2.165 -6.668 -10.962 246 H CYS 33 H CYS 33 -1.219 -2.796 -4.507 247 HA CYS 33 HA CYS 33 -1.898 -2.774 -1.766 248 1HB CYS 33 1HB CYS 33 -0.309 -0.860 -3.481 249 2HB CYS 33 2HB CYS 33 -0.514 -0.667 -1.751 250 H ASP 34 H ASP 34 -3.243 -1.282 -0.629 251 HA ASP 34 HA ASP 34 -4.550 0.703 -2.311 252 1HB ASP 34 1HB ASP 34 -6.115 -1.174 -1.760 253 2HB ASP 34 2HB ASP 34 -5.817 -0.918 -0.053 254 HD2 ASP 34 HD2 ASP 34 -6.506 0.881 0.818 255 H CYS 35 H CYS 35 -4.225 2.776 -1.448 256 HA CYS 35 HA CYS 35 -2.967 2.803 1.189 257 1HB CYS 35 1HB CYS 35 -2.737 4.857 -1.018 258 2HB CYS 35 2HB CYS 35 -1.844 4.831 0.489 259 H PHE 36 H PHE 36 -3.731 4.282 2.783 260 HA PHE 36 HA PHE 36 -5.755 6.188 2.042 261 1HB PHE 36 1HB PHE 36 -7.415 5.190 3.612 262 2HB PHE 36 2HB PHE 36 -6.974 3.995 2.409 263 HD1 PHE 36 HD1 PHE 36 -5.423 2.145 3.020 264 HD2 PHE 36 HD2 PHE 36 -6.926 4.852 5.922 265 HE1 PHE 36 HE1 PHE 36 -4.786 0.543 4.844 266 HE2 PHE 36 HE2 PHE 36 -6.288 3.251 7.746 267 HZ PHE 36 HZ PHE 36 -5.226 1.116 7.186 Start of MODEL 20 1 1H ARG 1 1H ARG 1 -8.139 5.136 -1.026 2 2H ARG 1 2H ARG 1 -7.282 3.723 -0.925 3 3H ARG 1 3H ARG 1 -6.514 5.127 -1.347 4 HA ARG 1 HA ARG 1 -8.701 4.028 -2.850 5 1HB ARG 1 1HB ARG 1 -6.506 6.062 -3.403 6 2HB ARG 1 2HB ARG 1 -7.361 5.301 -4.730 7 1HG ARG 1 1HG ARG 1 -8.918 6.575 -2.459 8 2HG ARG 1 2HG ARG 1 -8.263 7.577 -3.739 9 1HD ARG 1 1HD ARG 1 -10.069 5.156 -4.224 10 2HD ARG 1 2HD ARG 1 -10.648 6.808 -4.147 11 HE ARG 1 HE ARG 1 -8.565 6.861 -6.026 12 1HH1 ARG 1 1HH1 ARG 1 -11.730 5.365 -5.692 13 2HH1 ARG 1 2HH1 ARG 1 -11.916 5.078 -7.390 14 1HH2 ARG 1 1HH2 ARG 1 -8.808 6.482 -8.270 15 2HH2 ARG 1 2HH2 ARG 1 -10.268 5.771 -8.871 16 HA PRO 2 HA PRO 2 -6.089 0.810 -4.160 17 1HB PRO 2 1HB PRO 2 -7.221 0.103 -6.544 18 2HB PRO 2 2HB PRO 2 -7.866 -0.394 -4.992 19 1HG PRO 2 1HG PRO 2 -8.884 1.671 -6.847 20 2HG PRO 2 2HG PRO 2 -9.718 0.871 -5.530 21 1HD PRO 2 1HD PRO 2 -8.648 3.533 -5.520 22 2HD PRO 2 2HD PRO 2 -9.380 2.691 -4.168 23 H THR 3 H THR 3 -4.324 0.116 -5.458 24 HA THR 3 HA THR 3 -3.717 2.028 -7.609 25 HB THR 3 HB THR 3 -1.447 2.192 -6.856 26 HG1 THR 3 HG1 THR 3 -2.277 -0.012 -5.101 27 1HG2 THR 3 1HG2 THR 3 -2.987 1.856 -4.233 28 2HG2 THR 3 2HG2 THR 3 -1.529 2.839 -4.505 29 3HG2 THR 3 3HG2 THR 3 -3.079 3.329 -5.231 30 H ASP 4 H ASP 4 -1.319 0.682 -8.425 31 HA ASP 4 HA ASP 4 -2.404 -1.939 -9.099 32 1HB ASP 4 1HB ASP 4 -1.340 -1.750 -11.314 33 2HB ASP 4 2HB ASP 4 -2.468 -0.432 -11.068 34 HD2 ASP 4 HD2 ASP 4 -1.634 1.467 -10.482 35 H ILE 5 H ILE 5 -0.428 -0.705 -7.010 36 HA ILE 5 HA ILE 5 2.099 -1.837 -7.783 37 HB ILE 5 HB ILE 5 1.092 -0.616 -5.212 38 1HG1 ILE 5 1HG1 ILE 5 3.020 0.537 -7.241 39 2HG1 ILE 5 2HG1 ILE 5 1.295 0.847 -7.279 40 1HG2 ILE 5 1HG2 ILE 5 2.867 -2.244 -4.760 41 2HG2 ILE 5 2HG2 ILE 5 3.913 -1.439 -5.955 42 3HG2 ILE 5 3HG2 ILE 5 3.417 -0.574 -4.480 43 1HD1 ILE 5 1HD1 ILE 5 1.485 1.628 -4.842 44 2HD1 ILE 5 2HD1 ILE 5 3.251 1.553 -5.053 45 3HD1 ILE 5 3HD1 ILE 5 2.282 2.666 -6.050 46 H LYS 6 H LYS 6 2.514 -3.978 -7.734 47 HA LYS 6 HA LYS 6 0.543 -5.701 -6.626 48 1HB LYS 6 1HB LYS 6 1.815 -6.076 -8.766 49 2HB LYS 6 2HB LYS 6 3.242 -6.413 -7.806 50 1HG LYS 6 1HG LYS 6 2.071 -8.278 -6.662 51 2HG LYS 6 2HG LYS 6 0.594 -7.912 -7.531 52 1HD LYS 6 1HD LYS 6 1.878 -8.310 -9.709 53 2HD LYS 6 2HD LYS 6 3.228 -8.868 -8.741 54 1HE LYS 6 1HE LYS 6 0.420 -10.072 -8.638 55 2HE LYS 6 2HE LYS 6 1.747 -10.739 -9.567 56 1HZ LYS 6 1HZ LYS 6 2.983 -10.816 -7.420 57 2HZ LYS 6 2HZ LYS 6 1.584 -10.468 -6.653 58 3HZ LYS 6 3HZ LYS 6 1.716 -11.842 -7.525 59 H CYS 7 H CYS 7 0.722 -7.157 -4.870 60 HA CYS 7 HA CYS 7 3.091 -7.051 -3.256 61 1HB CYS 7 1HB CYS 7 1.786 -6.360 -1.207 62 2HB CYS 7 2HB CYS 7 2.207 -5.095 -2.344 63 H SER 8 H SER 8 3.039 -8.800 -1.631 64 HA SER 8 HA SER 8 0.916 -10.702 -2.119 65 1HB SER 8 1HB SER 8 2.347 -12.238 -0.729 66 2HB SER 8 2HB SER 8 3.152 -11.634 -2.163 67 HG SER 8 HG SER 8 3.556 -10.881 0.582 68 H GLU 9 H GLU 9 2.004 -8.278 0.187 69 HA GLU 9 HA GLU 9 0.094 -9.181 2.131 70 1HB GLU 9 1HB GLU 9 3.087 -9.379 2.514 71 2HB GLU 9 2HB GLU 9 2.067 -9.034 3.897 72 1HG GLU 9 1HG GLU 9 1.692 -11.418 2.021 73 2HG GLU 9 2HG GLU 9 2.500 -11.494 3.575 74 HE2 GLU 9 HE2 GLU 9 -0.361 -11.485 2.005 75 H SER 10 H SER 10 0.212 -7.584 4.155 76 HA SER 10 HA SER 10 -0.334 -5.186 2.727 77 1HB SER 10 1HB SER 10 -0.846 -6.107 5.580 78 2HB SER 10 2HB SER 10 -1.254 -4.487 5.047 79 HG SER 10 HG SER 10 -2.249 -6.965 3.921 80 H TYR 11 H TYR 11 2.028 -6.388 5.104 81 HA TYR 11 HA TYR 11 2.883 -3.844 6.007 82 1HB TYR 11 1HB TYR 11 4.569 -5.242 7.109 83 2HB TYR 11 2HB TYR 11 3.115 -6.218 7.051 84 HD1 TYR 11 HD1 TYR 11 6.405 -5.655 5.412 85 HD2 TYR 11 HD2 TYR 11 3.062 -8.287 5.867 86 HE1 TYR 11 HE1 TYR 11 7.680 -7.495 4.207 87 HE2 TYR 11 HE2 TYR 11 4.350 -10.118 4.662 88 HH TYR 11 HH TYR 11 6.183 -10.677 3.679 89 H GLN 12 H GLN 12 3.333 -5.550 3.037 90 HA GLN 12 HA GLN 12 5.858 -4.410 2.445 91 1HB GLN 12 1HB GLN 12 3.721 -5.620 0.636 92 2HB GLN 12 2HB GLN 12 5.333 -5.180 0.107 93 1HG GLN 12 1HG GLN 12 6.358 -6.804 1.612 94 2HG GLN 12 2HG GLN 12 4.829 -7.117 2.409 95 1HE2 GLN 12 1HE2 GLN 12 6.269 -9.173 1.422 96 2HE2 GLN 12 2HE2 GLN 12 5.492 -9.889 0.049 97 H CYS 13 H CYS 13 2.473 -3.398 2.269 98 HA CYS 13 HA CYS 13 3.000 -1.511 0.163 99 1HB CYS 13 1HB CYS 13 0.486 -2.107 1.737 100 2HB CYS 13 2HB CYS 13 0.587 -0.972 0.407 101 H PHE 14 H PHE 14 2.601 -1.643 3.728 102 HA PHE 14 HA PHE 14 1.368 0.817 4.008 103 1HB PHE 14 1HB PHE 14 1.228 -0.448 5.967 104 2HB PHE 14 2HB PHE 14 2.725 -1.288 5.622 105 HD1 PHE 14 HD1 PHE 14 4.352 -1.037 7.222 106 HD2 PHE 14 HD2 PHE 14 1.723 2.213 6.491 107 HE1 PHE 14 HE1 PHE 14 5.512 0.301 9.000 108 HE2 PHE 14 HE2 PHE 14 2.882 3.550 8.270 109 HZ PHE 14 HZ PHE 14 4.763 2.579 9.503 110 HA PRO 15 HA PRO 15 5.730 2.497 4.832 111 1HB PRO 15 1HB PRO 15 7.903 1.052 4.018 112 2HB PRO 15 2HB PRO 15 7.288 1.017 5.659 113 1HG PRO 15 1HG PRO 15 7.029 -1.026 3.538 114 2HG PRO 15 2HG PRO 15 6.807 -1.205 5.267 115 1HD PRO 15 1HD PRO 15 4.745 -1.029 3.282 116 2HD PRO 15 2HD PRO 15 4.525 -1.091 5.020 117 H VAL 16 H VAL 16 5.194 0.714 1.912 118 HA VAL 16 HA VAL 16 6.748 2.423 0.285 119 HB VAL 16 HB VAL 16 5.128 0.073 0.049 120 1HG1 VAL 16 1HG1 VAL 16 4.604 2.194 -2.061 121 2HG1 VAL 16 2HG1 VAL 16 4.191 0.470 -2.217 122 3HG1 VAL 16 3HG1 VAL 16 3.411 1.462 -0.962 123 1HG2 VAL 16 1HG2 VAL 16 7.081 1.384 -1.873 124 2HG2 VAL 16 2HG2 VAL 16 7.499 0.255 -0.562 125 3HG2 VAL 16 3HG2 VAL 16 6.520 -0.304 -1.940 126 H CYS 17 H CYS 17 3.384 2.440 1.496 127 HA CYS 17 HA CYS 17 2.546 4.448 -0.328 128 1HB CYS 17 1HB CYS 17 1.307 3.352 2.202 129 2HB CYS 17 2HB CYS 17 0.543 4.563 1.192 130 H LYS 18 H LYS 18 3.772 4.261 3.052 131 HA LYS 18 HA LYS 18 3.250 6.960 3.677 132 1HB LYS 18 1HB LYS 18 3.527 5.180 5.357 133 2HB LYS 18 2HB LYS 18 5.208 4.996 4.904 134 1HG LYS 18 1HG LYS 18 5.782 7.195 5.693 135 2HG LYS 18 2HG LYS 18 4.104 7.695 5.769 136 1HD LYS 18 1HD LYS 18 4.916 7.225 8.038 137 2HD LYS 18 2HD LYS 18 3.689 6.051 7.605 138 1HE LYS 18 1HE LYS 18 5.628 4.942 8.685 139 2HE LYS 18 2HE LYS 18 5.432 4.385 7.035 140 1HZ LYS 18 1HZ LYS 18 7.723 5.076 7.780 141 2HZ LYS 18 2HZ LYS 18 7.216 5.657 6.341 142 3HZ LYS 18 3HZ LYS 18 7.210 6.621 7.659 143 H SER 19 H SER 19 5.919 5.224 2.070 144 HA SER 19 HA SER 19 7.683 7.420 2.226 145 1HB SER 19 1HB SER 19 8.500 5.109 1.973 146 2HB SER 19 2HB SER 19 7.671 4.950 0.437 147 HG SER 19 HG SER 19 9.102 6.371 -0.540 148 H ARG 20 H ARG 20 5.451 6.064 -0.288 149 HA ARG 20 HA ARG 20 6.539 7.819 -2.232 150 1HB ARG 20 1HB ARG 20 5.779 5.527 -2.826 151 2HB ARG 20 2HB ARG 20 4.144 5.915 -2.326 152 1HG ARG 20 1HG ARG 20 4.242 6.117 -4.745 153 2HG ARG 20 2HG ARG 20 4.076 7.731 -4.083 154 1HD ARG 20 1HD ARG 20 6.442 8.203 -4.404 155 2HD ARG 20 2HD ARG 20 6.796 6.525 -4.762 156 HE ARG 20 HE ARG 20 4.830 7.436 -6.627 157 1HH1 ARG 20 1HH1 ARG 20 8.219 7.957 -5.837 158 2HH1 ARG 20 2HH1 ARG 20 8.666 8.370 -7.458 159 1HH2 ARG 20 1HH2 ARG 20 5.419 7.980 -8.767 160 2HH2 ARG 20 2HH2 ARG 20 7.062 8.388 -9.135 161 H PHE 21 H PHE 21 3.247 7.333 -0.727 162 HA PHE 21 HA PHE 21 2.391 9.750 -2.107 163 1HB PHE 21 1HB PHE 21 0.917 7.544 -0.544 164 2HB PHE 21 2HB PHE 21 0.119 8.802 -1.468 165 HD1 PHE 21 HD1 PHE 21 0.914 5.484 -1.555 166 HD2 PHE 21 HD2 PHE 21 1.191 8.934 -4.010 167 HE1 PHE 21 HE1 PHE 21 0.976 4.026 -3.596 168 HE2 PHE 21 HE2 PHE 21 1.253 7.476 -6.051 169 HZ PHE 21 HZ PHE 21 1.146 5.039 -5.820 170 H GLY 22 H GLY 22 3.254 8.543 1.059 171 1HA GLY 22 1HA GLY 22 3.462 9.705 3.001 172 2HA GLY 22 2HA GLY 22 2.741 11.114 2.248 173 H LYS 23 H LYS 23 1.182 7.906 2.114 174 HA LYS 23 HA LYS 23 -1.128 9.013 3.414 175 1HB LYS 23 1HB LYS 23 -0.550 6.293 2.204 176 2HB LYS 23 2HB LYS 23 -2.091 6.750 2.900 177 1HG LYS 23 1HG LYS 23 -1.059 8.755 0.980 178 2HG LYS 23 2HG LYS 23 -1.308 7.180 0.252 179 1HD LYS 23 1HD LYS 23 -3.646 7.147 1.224 180 2HD LYS 23 2HD LYS 23 -3.384 8.770 1.832 181 1HE LYS 23 1HE LYS 23 -4.485 9.143 -0.232 182 2HE LYS 23 2HE LYS 23 -2.799 9.409 -0.631 183 1HZ LYS 23 1HZ LYS 23 -2.670 7.222 -1.509 184 2HZ LYS 23 2HZ LYS 23 -4.173 6.838 -0.999 185 3HZ LYS 23 3HZ LYS 23 -3.970 7.945 -2.182 186 H THR 24 H THR 24 -2.252 7.648 5.175 187 HA THR 24 HA THR 24 -0.363 7.562 7.332 188 HB THR 24 HB THR 24 -2.594 7.007 8.571 189 HG1 THR 24 HG1 THR 24 -4.421 7.163 7.159 190 1HG2 THR 24 1HG2 THR 24 -1.733 9.381 8.326 191 2HG2 THR 24 2HG2 THR 24 -2.590 9.486 6.769 192 3HG2 THR 24 3HG2 THR 24 -3.509 9.280 8.280 193 H ASN 25 H ASN 25 -2.213 5.190 5.391 194 HA ASN 25 HA ASN 25 -0.451 3.168 6.362 195 1HB ASN 25 1HB ASN 25 -2.370 3.261 8.061 196 2HB ASN 25 2HB ASN 25 -3.469 2.837 6.764 197 1HD2 ASN 25 1HD2 ASN 25 -4.005 0.978 7.987 198 2HD2 ASN 25 2HD2 ASN 25 -3.027 -0.451 7.920 199 H GLY 26 H GLY 26 -0.777 1.107 5.042 200 1HA GLY 26 1HA GLY 26 -2.720 1.296 2.862 201 2HA GLY 26 2HA GLY 26 -1.026 1.171 2.430 202 H ARG 27 H ARG 27 -3.295 -0.767 2.009 203 HA ARG 27 HA ARG 27 -2.053 -3.010 3.347 204 1HB ARG 27 1HB ARG 27 -5.046 -2.380 3.342 205 2HB ARG 27 2HB ARG 27 -4.405 -3.955 3.766 206 1HG ARG 27 1HG ARG 27 -2.997 -2.833 5.561 207 2HG ARG 27 2HG ARG 27 -3.798 -1.320 5.186 208 1HD ARG 27 1HD ARG 27 -5.999 -2.293 5.779 209 2HD ARG 27 2HD ARG 27 -5.263 -3.861 6.051 210 HE ARG 27 HE ARG 27 -5.168 -1.549 7.850 211 1HH1 ARG 27 1HH1 ARG 27 -3.518 -4.518 6.930 212 2HH1 ARG 27 2HH1 ARG 27 -2.835 -4.776 8.501 213 1HH2 ARG 27 1HH2 ARG 27 -4.250 -1.878 9.917 214 2HH2 ARG 27 2HH2 ARG 27 -3.220 -3.242 10.200 215 H CYS 28 H CYS 28 -2.729 -5.155 2.280 216 HA CYS 28 HA CYS 28 -2.534 -4.596 -0.548 217 1HB CYS 28 1HB CYS 28 -0.931 -6.080 0.762 218 2HB CYS 28 2HB CYS 28 -2.217 -7.269 0.818 219 H VAL 29 H VAL 29 -4.564 -4.341 -1.480 220 HA VAL 29 HA VAL 29 -6.671 -6.180 -0.638 221 HB VAL 29 HB VAL 29 -6.698 -3.643 -2.286 222 1HG1 VAL 29 1HG1 VAL 29 -9.195 -3.819 -2.037 223 2HG1 VAL 29 2HG1 VAL 29 -8.465 -5.047 -3.099 224 3HG1 VAL 29 3HG1 VAL 29 -8.960 -5.481 -1.446 225 1HG2 VAL 29 1HG2 VAL 29 -7.659 -4.225 0.537 226 2HG2 VAL 29 2HG2 VAL 29 -6.255 -3.232 0.076 227 3HG2 VAL 29 3HG2 VAL 29 -7.901 -2.696 -0.343 228 H ASN 30 H ASN 30 -6.599 -8.106 -1.708 229 HA ASN 30 HA ASN 30 -6.808 -9.502 -3.352 230 1HB ASN 30 1HB ASN 30 -7.439 -7.076 -5.115 231 2HB ASN 30 2HB ASN 30 -7.842 -8.740 -5.489 232 1HD2 ASN 30 1HD2 ASN 30 -9.709 -6.692 -5.382 233 2HD2 ASN 30 2HD2 ASN 30 -10.808 -6.943 -4.067 234 H GLY 31 H GLY 31 -4.172 -8.229 -2.831 235 1HA GLY 31 1HA GLY 31 -2.185 -9.023 -3.676 236 2HA GLY 31 2HA GLY 31 -2.938 -9.317 -5.230 237 H PHE 32 H PHE 32 -3.900 -6.238 -4.144 238 HA PHE 32 HA PHE 32 -1.537 -4.934 -5.257 239 1HB PHE 32 1HB PHE 32 -4.498 -4.592 -6.013 240 2HB PHE 32 2HB PHE 32 -3.274 -3.430 -6.480 241 HD1 PHE 32 HD1 PHE 32 -4.927 -6.449 -7.361 242 HD2 PHE 32 HD2 PHE 32 -1.301 -4.308 -7.892 243 HE1 PHE 32 HE1 PHE 32 -4.432 -7.797 -9.420 244 HE2 PHE 32 HE2 PHE 32 -0.807 -5.656 -9.950 245 HZ PHE 32 HZ PHE 32 -2.378 -7.384 -10.690 246 H CYS 33 H CYS 33 -1.205 -2.755 -4.494 247 HA CYS 33 HA CYS 33 -1.942 -2.688 -1.773 248 1HB CYS 33 1HB CYS 33 -0.421 -0.702 -3.473 249 2HB CYS 33 2HB CYS 33 -0.607 -0.582 -1.735 250 H ASP 34 H ASP 34 -3.394 -1.249 -0.697 251 HA ASP 34 HA ASP 34 -4.577 0.784 -2.417 252 1HB ASP 34 1HB ASP 34 -6.207 -1.041 -1.784 253 2HB ASP 34 2HB ASP 34 -5.929 -0.669 -0.094 254 HD2 ASP 34 HD2 ASP 34 -8.764 1.228 -1.873 255 H CYS 35 H CYS 35 -4.238 2.877 -1.576 256 HA CYS 35 HA CYS 35 -2.909 2.886 1.035 257 1HB CYS 35 1HB CYS 35 -2.440 4.719 -1.327 258 2HB CYS 35 2HB CYS 35 -1.610 4.792 0.214 259 H PHE 36 H PHE 36 -3.808 4.208 2.614 260 HA PHE 36 HA PHE 36 -5.694 6.252 1.809 261 1HB PHE 36 1HB PHE 36 -7.440 5.136 3.302 262 2HB PHE 36 2HB PHE 36 -7.056 4.183 1.884 263 HD1 PHE 36 HD1 PHE 36 -5.871 2.081 2.077 264 HD2 PHE 36 HD2 PHE 36 -6.692 4.423 5.520 265 HE1 PHE 36 HE1 PHE 36 -5.310 0.122 3.543 266 HE2 PHE 36 HE2 PHE 36 -6.131 2.464 6.986 267 HZ PHE 36 HZ PHE 36 -5.448 0.337 5.981
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