NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
2584 | 1c49 | 4760 | cing | recoord | 1-original | 11 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H THR 4 HT1 THR 4 7.316 -4.386 -5.309 2 2H THR 4 HT2 THR 4 8.425 -3.650 -6.365 3 3H THR 4 HT3 THR 4 7.411 -4.893 -6.925 4 HA THR 4 HA THR 4 6.253 -3.131 -7.724 5 HB THR 4 HB THR 4 5.203 -2.841 -4.931 6 HG1 THR 4 HG1 THR 4 4.469 -4.872 -4.910 7 1HG2 THR 4 HG21 THR 4 4.218 -1.862 -7.128 8 2HG2 THR 4 HG22 THR 4 3.121 -2.681 -6.015 9 3HG2 THR 4 HG23 THR 4 3.705 -3.516 -7.455 10 H ILE 5 HN ILE 5 5.174 -1.024 -5.763 11 HA ILE 5 HA ILE 5 6.892 1.089 -6.428 12 HB ILE 5 HB ILE 5 5.617 2.367 -4.844 13 1HG1 ILE 5 HG12 ILE 5 3.955 0.590 -3.506 14 2HG1 ILE 5 HG11 ILE 5 5.534 -0.196 -3.447 15 1HG2 ILE 5 HG21 ILE 5 3.454 1.986 -5.671 16 2HG2 ILE 5 HG22 ILE 5 3.684 0.237 -5.707 17 3HG2 ILE 5 HG23 ILE 5 4.486 1.257 -6.901 18 1HD1 ILE 5 HD11 ILE 5 4.607 2.052 -1.922 19 2HD1 ILE 5 HD12 ILE 5 5.961 2.566 -2.926 20 3HD1 ILE 5 HD13 ILE 5 6.154 1.214 -1.810 21 H SER 6 HN SER 6 7.456 2.441 -4.047 22 HA SER 6 HA SER 6 9.298 0.624 -2.566 23 1HB SER 6 HB2 SER 6 10.593 3.141 -2.849 24 2HB SER 6 HB1 SER 6 11.112 1.584 -3.484 25 HG SER 6 HG SER 6 9.860 3.699 -4.733 26 H CYS 7 HN CYS 7 8.014 0.775 -0.693 27 HA CYS 7 HA CYS 7 7.980 3.481 0.573 28 1HB CYS 7 HB2 CYS 7 5.770 2.922 1.558 29 2HB CYS 7 HB1 CYS 7 5.707 2.971 -0.204 30 H THR 8 HN THR 8 7.305 3.044 3.057 31 HA THR 8 HA THR 8 8.818 0.649 4.001 32 HB THR 8 HB THR 8 10.345 1.891 5.110 33 HG1 THR 8 HG1 THR 8 8.563 3.886 5.904 34 1HG2 THR 8 HG21 THR 8 10.465 4.358 4.494 35 2HG2 THR 8 HG22 THR 8 8.989 4.108 3.563 36 3HG2 THR 8 HG23 THR 8 10.461 3.234 3.136 37 H ASN 9 HN ASN 9 6.846 3.363 5.281 38 HA ASN 9 HA ASN 9 5.678 1.587 7.303 39 1HB ASN 9 HB2 ASN 9 6.122 4.306 7.173 40 2HB ASN 9 HB1 ASN 9 4.385 4.195 6.881 41 1HD2 ASN 9 HD21 ASN 9 6.889 3.816 9.301 42 2HD2 ASN 9 HD22 ASN 9 5.857 3.403 10.584 43 H GLU 10 HN GLU 10 3.306 1.310 7.474 44 HA GLU 10 HA GLU 10 2.159 0.454 4.969 45 1HB GLU 10 HB2 GLU 10 0.166 -0.063 6.314 46 2HB GLU 10 HB1 GLU 10 1.624 -0.625 7.134 47 1HG GLU 10 HG2 GLU 10 0.676 0.488 8.904 48 2HG GLU 10 HG1 GLU 10 1.490 1.864 8.158 49 H LYS 11 HN LYS 11 1.945 3.398 6.862 50 HA LYS 11 HA LYS 11 -0.446 4.456 5.688 51 1HB LYS 11 HB2 LYS 11 0.954 5.291 7.732 52 2HB LYS 11 HB1 LYS 11 1.866 6.193 6.522 53 1HG LYS 11 HG2 LYS 11 0.223 7.723 6.325 54 2HG LYS 11 HG1 LYS 11 -0.986 6.465 6.069 55 1HD LYS 11 HD2 LYS 11 -1.367 6.203 8.399 56 2HD LYS 11 HD1 LYS 11 0.102 7.085 8.817 57 1HE LYS 11 HE2 LYS 11 -1.145 8.954 8.968 58 2HE LYS 11 HE1 LYS 11 -1.405 8.853 7.227 59 1HZ LYS 11 HZ1 LYS 11 -3.215 8.299 9.372 60 2HZ LYS 11 HZ2 LYS 11 -3.126 7.016 8.262 61 3HZ LYS 11 HZ3 LYS 11 -3.539 8.575 7.730 62 H GLN 12 HN GLN 12 2.635 3.875 4.354 63 HA GLN 12 HA GLN 12 2.750 6.056 2.472 64 1HB GLN 12 HB2 GLN 12 4.160 3.474 2.879 65 2HB GLN 12 HB1 GLN 12 4.184 4.124 1.238 66 1HG GLN 12 HG2 GLN 12 4.739 6.033 3.458 67 2HG GLN 12 HG1 GLN 12 5.994 4.852 3.082 68 1HE2 GLN 12 HE21 GLN 12 5.028 7.936 2.297 69 2HE2 GLN 12 HE22 GLN 12 5.668 8.041 0.728 70 H CYS 13 HN CYS 13 1.188 2.891 2.430 71 HA CYS 13 HA CYS 13 0.477 3.236 -0.425 72 1HB CYS 13 HB2 CYS 13 -0.489 1.001 1.349 73 2HB CYS 13 HB1 CYS 13 -0.226 0.989 -0.395 74 H TYR 14 HN TYR 14 -0.637 4.783 2.070 75 HA TYR 14 HA TYR 14 -3.414 4.086 2.240 76 1HB TYR 14 HB2 TYR 14 -1.724 6.383 3.068 77 2HB TYR 14 HB1 TYR 14 -3.445 6.718 2.872 78 HD1 TYR 14 HD1 TYR 14 -2.015 3.433 3.822 79 HD2 TYR 14 HD2 TYR 14 -4.010 6.979 5.201 80 HE1 TYR 14 HE1 TYR 14 -2.454 2.338 6.004 81 HE2 TYR 14 HE2 TYR 14 -4.451 5.882 7.381 82 HH TYR 14 HH TYR 14 -4.340 3.982 8.538 83 HA PRO 15 HA PRO 15 -4.096 7.419 -1.124 84 1HB PRO 15 HB2 PRO 15 -1.872 8.528 -2.289 85 2HB PRO 15 HB1 PRO 15 -2.644 9.193 -0.839 86 1HG PRO 15 HG2 PRO 15 -0.096 7.662 -1.074 87 2HG PRO 15 HG1 PRO 15 -0.585 8.845 0.150 88 1HD PRO 15 HD2 PRO 15 -0.598 6.029 0.460 89 2HD PRO 15 HD1 PRO 15 -1.372 7.210 1.537 90 H HIS 16 HN HIS 16 -1.551 5.082 -1.395 91 HA HIS 16 HA HIS 16 -1.433 4.856 -4.258 92 1HB HIS 16 HB2 HIS 16 0.193 3.917 -2.482 93 2HB HIS 16 HB1 HIS 16 -0.955 2.589 -2.319 94 HD1 HIS 16 HD1 HIS 16 0.010 0.672 -3.592 95 HD2 HIS 16 HD2 HIS 16 0.403 4.256 -5.679 96 HE1 HIS 16 HE1 HIS 16 1.022 0.084 -5.838 97 H CYS 17 HN CYS 17 -2.998 2.711 -1.859 98 HA CYS 17 HA CYS 17 -4.548 1.352 -3.897 99 1HB CYS 17 HB2 CYS 17 -4.689 1.391 -0.874 100 2HB CYS 17 HB1 CYS 17 -5.766 0.411 -1.870 101 H LYS 18 HN LYS 18 -5.151 4.045 -1.686 102 HA LYS 18 HA LYS 18 -7.967 4.180 -1.914 103 1HB LYS 18 HB2 LYS 18 -6.578 5.582 -0.382 104 2HB LYS 18 HB1 LYS 18 -6.038 6.516 -1.778 105 1HG LYS 18 HG2 LYS 18 -8.342 7.179 -2.264 106 2HG LYS 18 HG1 LYS 18 -8.929 6.191 -0.925 107 1HD LYS 18 HD2 LYS 18 -7.252 7.603 0.507 108 2HD LYS 18 HD1 LYS 18 -7.349 8.746 -0.834 109 1HE LYS 18 HE2 LYS 18 -9.997 8.100 -0.416 110 2HE LYS 18 HE1 LYS 18 -9.345 8.103 1.223 111 1HZ LYS 18 HZ1 LYS 18 -10.048 10.300 0.685 112 2HZ LYS 18 HZ2 LYS 18 -9.173 10.293 -0.771 113 3HZ LYS 18 HZ3 LYS 18 -8.352 10.295 0.717 114 H LYS 19 HN LYS 19 -5.463 5.656 -3.990 115 HA LYS 19 HA LYS 19 -7.473 6.713 -5.834 116 1HB LYS 19 HB2 LYS 19 -5.300 7.856 -5.447 117 2HB LYS 19 HB1 LYS 19 -4.472 6.481 -6.178 118 1HG LYS 19 HG2 LYS 19 -5.890 6.850 -8.244 119 2HG LYS 19 HG1 LYS 19 -6.439 8.357 -7.512 120 1HD LYS 19 HD2 LYS 19 -4.260 9.295 -7.544 121 2HD LYS 19 HD1 LYS 19 -3.503 7.730 -7.837 122 1HE LYS 19 HE2 LYS 19 -5.425 8.997 -9.797 123 2HE LYS 19 HE1 LYS 19 -3.684 9.265 -9.867 124 1HZ LYS 19 HZ1 LYS 19 -3.954 7.461 -11.241 125 2HZ LYS 19 HZ2 LYS 19 -5.200 6.782 -10.306 126 3HZ LYS 19 HZ3 LYS 19 -3.589 6.699 -9.771 127 H GLU 20 HN GLU 20 -5.670 3.751 -5.537 128 HA GLU 20 HA GLU 20 -5.931 3.039 -8.358 129 1HB GLU 20 HB2 GLU 20 -4.645 1.942 -5.989 130 2HB GLU 20 HB1 GLU 20 -5.461 0.689 -6.927 131 1HG GLU 20 HG2 GLU 20 -4.292 1.391 -8.953 132 2HG GLU 20 HG1 GLU 20 -3.541 2.731 -8.086 133 H THR 21 HN THR 21 -7.230 1.391 -5.453 134 HA THR 21 HA THR 21 -9.482 0.420 -7.120 135 HB THR 21 HB THR 21 -9.882 -1.176 -5.390 136 HG1 THR 21 HG1 THR 21 -8.818 -0.955 -3.369 137 1HG2 THR 21 HG21 THR 21 -7.375 -1.857 -4.820 138 2HG2 THR 21 HG22 THR 21 -7.013 -0.628 -6.030 139 3HG2 THR 21 HG23 THR 21 -8.011 -2.018 -6.456 140 H GLY 22 HN GLY 22 -8.830 2.522 -4.373 141 1HA GLY 22 HA2 GLY 22 -10.456 4.439 -4.150 142 2HA GLY 22 HA1 GLY 22 -11.736 3.239 -4.339 143 H TYR 23 HN TYR 23 -9.435 1.664 -2.639 144 HA TYR 23 HA TYR 23 -10.753 2.337 -0.057 145 1HB TYR 23 HB2 TYR 23 -9.668 -0.122 -1.273 146 2HB TYR 23 HB1 TYR 23 -9.257 0.090 0.429 147 HD1 TYR 23 HD1 TYR 23 -12.267 0.777 -1.719 148 HD2 TYR 23 HD2 TYR 23 -10.715 -0.988 1.877 149 HE1 TYR 23 HE1 TYR 23 -14.555 0.063 -1.081 150 HE2 TYR 23 HE2 TYR 23 -13.002 -1.700 2.515 151 HH TYR 23 HH TYR 23 -15.482 -1.940 0.492 152 HA PRO 24 HA PRO 24 -6.886 4.170 1.139 153 1HB PRO 24 HB2 PRO 24 -7.610 4.685 3.741 154 2HB PRO 24 HB1 PRO 24 -8.144 5.668 2.366 155 1HG PRO 24 HG2 PRO 24 -9.692 3.689 3.968 156 2HG PRO 24 HG1 PRO 24 -10.271 5.088 3.048 157 1HD PRO 24 HD2 PRO 24 -10.389 2.377 2.218 158 2HD PRO 24 HD1 PRO 24 -10.685 3.802 1.197 159 H ASN 25 HN ASN 25 -8.337 1.356 2.556 160 HA ASN 25 HA ASN 25 -6.299 0.768 4.509 161 1HB ASN 25 HB2 ASN 25 -8.369 -0.926 3.099 162 2HB ASN 25 HB1 ASN 25 -7.240 -1.605 4.272 163 1HD2 ASN 25 HD21 ASN 25 -7.211 -0.378 6.471 164 2HD2 ASN 25 HD22 ASN 25 -8.701 0.192 7.049 165 H ALA 26 HN ALA 26 -4.207 0.633 3.810 166 HA ALA 26 HA ALA 26 -3.600 -1.408 1.737 167 1HB ALA 26 HB1 ALA 26 -2.479 1.411 1.728 168 2HB ALA 26 HB2 ALA 26 -3.633 0.764 0.560 169 3HB ALA 26 HB3 ALA 26 -1.996 0.111 0.638 170 H LYS 27 HN LYS 27 -1.337 -2.153 1.890 171 HA LYS 27 HA LYS 27 -0.090 -1.465 4.523 172 1HB LYS 27 HB2 LYS 27 -1.107 -3.984 3.644 173 2HB LYS 27 HB1 LYS 27 0.650 -4.110 3.736 174 1HG LYS 27 HG2 LYS 27 -0.545 -4.643 5.898 175 2HG LYS 27 HG1 LYS 27 0.657 -3.360 6.028 176 1HD LYS 27 HD2 LYS 27 -0.910 -1.750 6.424 177 2HD LYS 27 HD1 LYS 27 -2.073 -2.467 5.308 178 1HE LYS 27 HE2 LYS 27 -3.162 -3.042 7.232 179 2HE LYS 27 HE1 LYS 27 -2.015 -4.381 7.235 180 1HZ LYS 27 HZ1 LYS 27 -0.530 -3.066 8.606 181 2HZ LYS 27 HZ2 LYS 27 -2.042 -3.239 9.360 182 3HZ LYS 27 HZ3 LYS 27 -1.629 -1.775 8.604 183 H CYS 28 HN CYS 28 2.251 -1.712 4.584 184 HA CYS 28 HA CYS 28 3.528 -1.700 1.878 185 1HB CYS 28 HB2 CYS 28 3.463 0.597 2.697 186 2HB CYS 28 HB1 CYS 28 4.137 0.095 4.247 187 H MET 29 HN MET 29 4.459 -3.741 1.964 188 HA MET 29 HA MET 29 6.380 -4.195 4.209 189 1HB MET 29 HB2 MET 29 4.308 -5.623 4.392 190 2HB MET 29 HB1 MET 29 4.748 -6.355 2.848 191 1HG MET 29 HG2 MET 29 6.671 -7.366 3.728 192 2HG MET 29 HG1 MET 29 6.743 -6.256 5.098 193 1HE MET 29 HE1 MET 29 3.322 -7.434 3.986 194 2HE MET 29 HE2 MET 29 3.155 -9.067 4.625 195 3HE MET 29 HE3 MET 29 4.309 -8.748 3.333 196 H ASN 30 HN ASN 30 8.426 -4.660 3.505 197 HA ASN 30 HA ASN 30 10.182 -5.173 2.038 198 1HB ASN 30 HB2 ASN 30 7.911 -6.833 1.078 199 2HB ASN 30 HB1 ASN 30 9.237 -6.593 -0.059 200 1HD2 ASN 30 HD21 ASN 30 8.901 -7.289 3.478 201 2HD2 ASN 30 HD22 ASN 30 10.121 -8.469 3.504 202 H ARG 31 HN ARG 31 8.844 -2.687 1.746 203 HA ARG 31 HA ARG 31 8.758 -0.886 0.248 204 1HB ARG 31 HB2 ARG 31 10.309 -2.693 -1.621 205 2HB ARG 31 HB1 ARG 31 10.277 -0.929 -1.616 206 1HG ARG 31 HG2 ARG 31 11.250 -0.992 0.706 207 2HG ARG 31 HG1 ARG 31 11.443 -2.735 0.520 208 1HD ARG 31 HD2 ARG 31 12.603 -1.911 -1.777 209 2HD ARG 31 HD1 ARG 31 12.952 -0.516 -0.756 210 HE ARG 31 HE ARG 31 13.589 -3.071 0.514 211 1HH1 ARG 31 HH21 ARG 31 14.673 -1.144 -2.080 212 2HH1 ARG 31 HH22 ARG 31 16.331 -1.133 -1.578 213 1HH2 ARG 31 HH11 ARG 31 15.718 -2.806 1.396 214 2HH2 ARG 31 HH12 ARG 31 16.923 -2.076 0.388 215 H LYS 32 HN LYS 32 6.834 -3.332 0.036 216 HA LYS 32 HA LYS 32 5.822 -2.627 -2.691 217 1HB LYS 32 HB2 LYS 32 4.973 -4.832 -2.957 218 2HB LYS 32 HB1 LYS 32 6.599 -5.041 -2.311 219 1HG LYS 32 HG2 LYS 32 5.764 -6.165 -0.557 220 2HG LYS 32 HG1 LYS 32 4.804 -4.759 -0.102 221 1HD LYS 32 HD2 LYS 32 3.215 -6.490 -0.445 222 2HD LYS 32 HD1 LYS 32 3.144 -5.518 -1.916 223 1HE LYS 32 HE2 LYS 32 3.573 -7.399 -3.083 224 2HE LYS 32 HE1 LYS 32 5.190 -7.386 -2.378 225 1HZ LYS 32 HZ1 LYS 32 4.583 -9.332 -1.502 226 2HZ LYS 32 HZ2 LYS 32 2.926 -9.058 -1.762 227 3HZ LYS 32 HZ3 LYS 32 3.692 -8.414 -0.389 228 H CYS 33 HN CYS 33 3.514 -2.388 -2.891 229 HA CYS 33 HA CYS 33 2.181 -1.825 -0.273 230 1HB CYS 33 HB2 CYS 33 2.006 -0.506 -2.975 231 2HB CYS 33 HB1 CYS 33 0.676 -0.360 -1.827 232 H LYS 34 HN LYS 34 0.044 -2.574 0.021 233 HA LYS 34 HA LYS 34 -1.012 -4.361 -2.128 234 1HB LYS 34 HB2 LYS 34 -0.426 -4.961 0.721 235 2HB LYS 34 HB1 LYS 34 -1.957 -5.576 0.100 236 1HG LYS 34 HG2 LYS 34 0.542 -5.951 -1.519 237 2HG LYS 34 HG1 LYS 34 0.222 -7.027 -0.158 238 1HD LYS 34 HD2 LYS 34 -1.623 -7.979 -1.164 239 2HD LYS 34 HD1 LYS 34 -2.017 -6.516 -2.066 240 1HE LYS 34 HE2 LYS 34 -0.290 -6.923 -3.667 241 2HE LYS 34 HE1 LYS 34 0.435 -8.182 -2.668 242 1HZ LYS 34 HZ1 LYS 34 -1.469 -9.566 -3.007 243 2HZ LYS 34 HZ2 LYS 34 -0.913 -9.048 -4.527 244 3HZ LYS 34 HZ3 LYS 34 -2.291 -8.335 -3.835 245 H CYS 35 HN CYS 35 -3.348 -4.521 -2.159 246 HA CYS 35 HA CYS 35 -4.669 -2.244 -0.736 247 1HB CYS 35 HB2 CYS 35 -5.425 -3.552 -3.368 248 2HB CYS 35 HB1 CYS 35 -6.263 -2.195 -2.615 249 H PHE 36 HN PHE 36 -6.030 -2.900 0.837 250 HA PHE 36 HA PHE 36 -7.038 -5.679 0.838 251 1HB PHE 36 HB2 PHE 36 -6.997 -3.432 2.845 252 2HB PHE 36 HB1 PHE 36 -8.049 -4.826 3.085 253 HD1 PHE 36 HD1 PHE 36 -6.694 -5.299 5.167 254 HD2 PHE 36 HD2 PHE 36 -4.987 -5.417 1.227 255 HE1 PHE 36 HE1 PHE 36 -4.772 -6.598 6.038 256 HE2 PHE 36 HE2 PHE 36 -3.066 -6.718 2.099 257 HZ PHE 36 HZ PHE 36 -2.956 -7.307 4.504 258 H GLY 37 HN GLY 37 -8.006 -3.041 -0.735 259 1HA GLY 37 HA2 GLY 37 -10.908 -3.492 -0.155 260 2HA GLY 37 HA1 GLY 37 -10.257 -1.972 -0.770 261 H ARG 38 HN ARG 38 -9.282 -5.169 -1.915 262 HA ARG 38 HA ARG 38 -9.519 -4.501 -4.658 263 1HB ARG 38 HB2 ARG 38 -9.337 -6.896 -5.094 264 2HB ARG 38 HB1 ARG 38 -8.251 -6.461 -3.775 265 1HG ARG 38 HG2 ARG 38 -9.264 -8.259 -2.769 266 2HG ARG 38 HG1 ARG 38 -10.455 -7.032 -2.336 267 1HD ARG 38 HD2 ARG 38 -11.379 -9.179 -3.383 268 2HD ARG 38 HD1 ARG 38 -11.905 -7.664 -4.120 269 HE ARG 38 HE ARG 38 -9.546 -8.988 -5.323 270 1HH1 ARG 38 HH11 ARG 38 -12.587 -10.062 -5.439 271 2HH1 ARG 38 HH12 ARG 38 -12.936 -9.621 -7.078 272 1HH2 ARG 38 HH21 ARG 38 -10.123 -7.619 -7.415 273 2HH2 ARG 38 HH22 ARG 38 -11.540 -8.238 -8.196 Start of MODEL 2 1 1H THR 4 HT1 THR 4 6.880 -2.613 -8.004 2 2H THR 4 HT2 THR 4 6.739 -1.444 -9.229 3 3H THR 4 HT3 THR 4 5.886 -2.909 -9.348 4 HA THR 4 HA THR 4 4.367 -1.192 -8.696 5 HB THR 4 HB THR 4 4.886 -2.635 -6.125 6 HG1 THR 4 HG1 THR 4 4.427 -4.566 -7.025 7 1HG2 THR 4 HG21 THR 4 2.651 -1.511 -7.626 8 2HG2 THR 4 HG22 THR 4 2.753 -1.931 -5.916 9 3HG2 THR 4 HG23 THR 4 2.334 -3.166 -7.105 10 H ILE 5 HN ILE 5 3.959 -0.453 -5.962 11 HA ILE 5 HA ILE 5 5.662 1.892 -5.845 12 HB ILE 5 HB ILE 5 3.914 1.058 -3.584 13 1HG1 ILE 5 HG12 ILE 5 2.500 0.546 -5.483 14 2HG1 ILE 5 HG11 ILE 5 1.979 2.096 -4.829 15 1HG2 ILE 5 HG21 ILE 5 4.271 3.193 -3.008 16 2HG2 ILE 5 HG22 ILE 5 3.557 3.730 -4.530 17 3HG2 ILE 5 HG23 ILE 5 5.285 3.393 -4.437 18 1HD1 ILE 5 HD11 ILE 5 4.102 2.394 -6.817 19 2HD1 ILE 5 HD12 ILE 5 2.534 3.196 -6.718 20 3HD1 ILE 5 HD13 ILE 5 2.667 1.609 -7.476 21 H SER 6 HN SER 6 6.887 2.456 -3.857 22 HA SER 6 HA SER 6 7.968 0.053 -2.447 23 1HB SER 6 HB2 SER 6 10.212 1.104 -2.528 24 2HB SER 6 HB1 SER 6 9.597 0.788 -4.148 25 HG SER 6 HG SER 6 10.212 3.142 -2.941 26 H CYS 7 HN CYS 7 7.556 0.310 -0.289 27 HA CYS 7 HA CYS 7 7.910 3.013 0.884 28 1HB CYS 7 HB2 CYS 7 5.725 2.726 2.120 29 2HB CYS 7 HB1 CYS 7 5.554 2.992 0.386 30 H THR 8 HN THR 8 7.381 2.771 3.370 31 HA THR 8 HA THR 8 8.362 0.164 4.411 32 HB THR 8 HB THR 8 10.382 1.448 4.387 33 HG1 THR 8 HG1 THR 8 10.801 1.468 6.506 34 1HG2 THR 8 HG21 THR 8 8.540 3.650 4.636 35 2HG2 THR 8 HG22 THR 8 10.237 3.677 4.161 36 3HG2 THR 8 HG23 THR 8 9.797 3.784 5.865 37 H ASN 9 HN ASN 9 5.879 2.091 4.307 38 HA ASN 9 HA ASN 9 5.050 1.533 7.085 39 1HB ASN 9 HB2 ASN 9 6.026 3.813 7.167 40 2HB ASN 9 HB1 ASN 9 4.935 4.314 5.876 41 1HD2 ASN 9 HD21 ASN 9 3.655 5.791 7.114 42 2HD2 ASN 9 HD22 ASN 9 2.682 5.300 8.416 43 H GLU 10 HN GLU 10 2.733 1.475 7.275 44 HA GLU 10 HA GLU 10 1.349 0.644 4.911 45 1HB GLU 10 HB2 GLU 10 0.120 1.615 7.506 46 2HB GLU 10 HB1 GLU 10 -0.629 0.554 6.313 47 1HG GLU 10 HG2 GLU 10 0.585 -1.277 6.974 48 2HG GLU 10 HG1 GLU 10 2.001 -0.313 7.400 49 H LYS 11 HN LYS 11 1.383 3.728 6.683 50 HA LYS 11 HA LYS 11 -0.704 5.037 5.301 51 1HB LYS 11 HB2 LYS 11 0.409 6.000 7.274 52 2HB LYS 11 HB1 LYS 11 1.887 6.226 6.336 53 1HG LYS 11 HG2 LYS 11 0.576 7.663 4.743 54 2HG LYS 11 HG1 LYS 11 -0.796 7.546 5.847 55 1HD LYS 11 HD2 LYS 11 0.959 8.341 7.644 56 2HD LYS 11 HD1 LYS 11 1.830 8.946 6.233 57 1HE LYS 11 HE2 LYS 11 -1.078 9.566 6.814 58 2HE LYS 11 HE1 LYS 11 0.262 10.630 7.248 59 1HZ LYS 11 HZ1 LYS 11 -0.781 9.936 4.596 60 2HZ LYS 11 HZ2 LYS 11 0.872 10.294 4.749 61 3HZ LYS 11 HZ3 LYS 11 -0.294 11.443 5.202 62 H GLN 12 HN GLN 12 2.398 4.060 4.136 63 HA GLN 12 HA GLN 12 2.710 6.027 2.062 64 1HB GLN 12 HB2 GLN 12 3.728 3.181 2.296 65 2HB GLN 12 HB1 GLN 12 4.219 4.301 1.024 66 1HG GLN 12 HG2 GLN 12 4.664 4.585 4.004 67 2HG GLN 12 HG1 GLN 12 5.887 4.465 2.739 68 1HE2 GLN 12 HE21 GLN 12 5.426 6.706 4.705 69 2HE2 GLN 12 HE22 GLN 12 5.191 8.091 3.753 70 H CYS 13 HN CYS 13 1.218 2.780 2.078 71 HA CYS 13 HA CYS 13 0.315 3.167 -0.707 72 1HB CYS 13 HB2 CYS 13 -0.586 0.882 1.019 73 2HB CYS 13 HB1 CYS 13 -0.241 0.904 -0.711 74 H TYR 14 HN TYR 14 -0.705 4.687 1.824 75 HA TYR 14 HA TYR 14 -3.511 3.896 1.962 76 1HB TYR 14 HB2 TYR 14 -1.760 5.865 3.280 77 2HB TYR 14 HB1 TYR 14 -3.423 6.410 3.051 78 HD1 TYR 14 HD1 TYR 14 -4.577 6.139 5.075 79 HD2 TYR 14 HD2 TYR 14 -1.963 3.021 3.696 80 HE1 TYR 14 HE1 TYR 14 -5.303 4.696 6.956 81 HE2 TYR 14 HE2 TYR 14 -2.690 1.579 5.578 82 HH TYR 14 HH TYR 14 -5.252 2.614 7.804 83 HA PRO 15 HA PRO 15 -4.118 7.871 -0.601 84 1HB PRO 15 HB2 PRO 15 -1.866 9.115 -1.577 85 2HB PRO 15 HB1 PRO 15 -2.610 9.512 -0.017 86 1HG PRO 15 HG2 PRO 15 -0.112 7.979 -0.569 87 2HG PRO 15 HG1 PRO 15 -0.560 8.916 0.866 88 1HD PRO 15 HD2 PRO 15 -0.654 6.100 0.629 89 2HD PRO 15 HD1 PRO 15 -1.405 7.064 1.919 90 H HIS 16 HN HIS 16 -1.516 5.684 -1.475 91 HA HIS 16 HA HIS 16 -1.967 5.979 -4.351 92 1HB HIS 16 HB2 HIS 16 0.096 5.071 -4.411 93 2HB HIS 16 HB1 HIS 16 0.049 4.847 -2.668 94 HD1 HIS 16 HD1 HIS 16 0.095 2.995 -5.818 95 HD2 HIS 16 HD2 HIS 16 -1.146 2.227 -1.914 96 HE1 HIS 16 HE1 HIS 16 -0.150 0.482 -5.626 97 H CYS 17 HN CYS 17 -3.014 3.824 -1.763 98 HA CYS 17 HA CYS 17 -4.265 1.922 -3.597 99 1HB CYS 17 HB2 CYS 17 -4.254 2.300 -0.610 100 2HB CYS 17 HB1 CYS 17 -5.387 1.180 -1.366 101 H LYS 18 HN LYS 18 -5.198 4.864 -1.964 102 HA LYS 18 HA LYS 18 -8.032 4.526 -2.023 103 1HB LYS 18 HB2 LYS 18 -6.794 6.359 -0.828 104 2HB LYS 18 HB1 LYS 18 -6.482 7.105 -2.395 105 1HG LYS 18 HG2 LYS 18 -8.771 7.551 -2.771 106 2HG LYS 18 HG1 LYS 18 -9.286 6.411 -1.527 107 1HD LYS 18 HD2 LYS 18 -9.127 7.972 0.094 108 2HD LYS 18 HD1 LYS 18 -7.516 8.453 -0.440 109 1HE LYS 18 HE2 LYS 18 -9.718 9.283 -2.230 110 2HE LYS 18 HE1 LYS 18 -9.722 10.047 -0.641 111 1HZ LYS 18 HZ1 LYS 18 -7.138 10.198 -1.274 112 2HZ LYS 18 HZ2 LYS 18 -8.262 11.427 -1.611 113 3HZ LYS 18 HZ3 LYS 18 -7.827 10.314 -2.819 114 H LYS 19 HN LYS 19 -5.907 6.231 -4.352 115 HA LYS 19 HA LYS 19 -8.070 6.380 -6.318 116 1HB LYS 19 HB2 LYS 19 -5.647 7.735 -5.887 117 2HB LYS 19 HB1 LYS 19 -5.425 6.868 -7.407 118 1HG LYS 19 HG2 LYS 19 -6.407 8.943 -8.026 119 2HG LYS 19 HG1 LYS 19 -7.732 7.781 -8.076 120 1HD LYS 19 HD2 LYS 19 -7.806 8.592 -5.455 121 2HD LYS 19 HD1 LYS 19 -7.316 10.075 -6.275 122 1HE LYS 19 HE2 LYS 19 -9.616 8.406 -7.287 123 2HE LYS 19 HE1 LYS 19 -9.849 9.638 -6.047 124 1HZ LYS 19 HZ1 LYS 19 -8.559 10.151 -8.669 125 2HZ LYS 19 HZ2 LYS 19 -9.014 11.302 -7.505 126 3HZ LYS 19 HZ3 LYS 19 -10.201 10.434 -8.355 127 H GLU 20 HN GLU 20 -5.602 4.100 -5.520 128 HA GLU 20 HA GLU 20 -5.323 2.943 -8.162 129 1HB GLU 20 HB2 GLU 20 -3.592 2.619 -6.459 130 2HB GLU 20 HB1 GLU 20 -4.744 1.770 -5.427 131 1HG GLU 20 HG2 GLU 20 -3.646 0.000 -6.498 132 2HG GLU 20 HG1 GLU 20 -5.076 0.218 -7.508 133 H THR 21 HN THR 21 -7.388 2.228 -5.352 134 HA THR 21 HA THR 21 -9.023 0.525 -7.169 135 HB THR 21 HB THR 21 -7.473 -0.805 -5.584 136 HG1 THR 21 HG1 THR 21 -10.190 -1.372 -5.170 137 1HG2 THR 21 HG21 THR 21 -8.192 -1.041 -3.299 138 2HG2 THR 21 HG22 THR 21 -9.599 -0.017 -3.578 139 3HG2 THR 21 HG23 THR 21 -7.979 0.681 -3.608 140 H GLY 22 HN GLY 22 -8.917 2.219 -4.021 141 1HA GLY 22 HA2 GLY 22 -10.918 3.956 -4.100 142 2HA GLY 22 HA1 GLY 22 -11.874 2.473 -4.110 143 H TYR 23 HN TYR 23 -9.439 1.408 -2.380 144 HA TYR 23 HA TYR 23 -10.500 2.521 0.185 145 1HB TYR 23 HB2 TYR 23 -9.327 -0.246 -0.129 146 2HB TYR 23 HB1 TYR 23 -10.334 0.372 1.182 147 HD1 TYR 23 HD1 TYR 23 -10.433 -1.774 -1.489 148 HD2 TYR 23 HD2 TYR 23 -12.613 1.566 0.103 149 HE1 TYR 23 HE1 TYR 23 -12.465 -2.525 -2.698 150 HE2 TYR 23 HE2 TYR 23 -14.645 0.816 -1.105 151 HH TYR 23 HH TYR 23 -14.613 -2.148 -3.094 152 HA PRO 24 HA PRO 24 -6.269 3.642 0.849 153 1HB PRO 24 HB2 PRO 24 -6.579 4.476 3.447 154 2HB PRO 24 HB1 PRO 24 -7.087 5.433 2.045 155 1HG PRO 24 HG2 PRO 24 -8.762 3.911 3.983 156 2HG PRO 24 HG1 PRO 24 -9.192 5.309 2.984 157 1HD PRO 24 HD2 PRO 24 -9.868 2.602 2.456 158 2HD PRO 24 HD1 PRO 24 -10.043 3.969 1.334 159 H ASN 25 HN ASN 25 -7.938 1.781 3.410 160 HA ASN 25 HA ASN 25 -5.855 0.830 4.931 161 1HB ASN 25 HB2 ASN 25 -8.440 0.159 4.784 162 2HB ASN 25 HB1 ASN 25 -7.764 -1.248 3.962 163 1HD2 ASN 25 HD21 ASN 25 -5.837 -2.304 5.204 164 2HD2 ASN 25 HD22 ASN 25 -5.964 -2.366 6.895 165 H ALA 26 HN ALA 26 -3.876 0.257 4.147 166 HA ALA 26 HA ALA 26 -3.733 -2.078 2.341 167 1HB ALA 26 HB1 ALA 26 -2.558 0.636 1.689 168 2HB ALA 26 HB2 ALA 26 -3.673 -0.317 0.709 169 3HB ALA 26 HB3 ALA 26 -2.006 -0.855 0.925 170 H LYS 27 HN LYS 27 -1.743 -3.208 2.566 171 HA LYS 27 HA LYS 27 -0.168 -2.379 4.953 172 1HB LYS 27 HB2 LYS 27 -0.613 -5.002 3.539 173 2HB LYS 27 HB1 LYS 27 0.774 -4.789 4.607 174 1HG LYS 27 HG2 LYS 27 -0.521 -5.002 6.437 175 2HG LYS 27 HG1 LYS 27 -1.630 -3.760 5.854 176 1HD LYS 27 HD2 LYS 27 -2.021 -6.092 4.256 177 2HD LYS 27 HD1 LYS 27 -2.040 -6.590 5.948 178 1HE LYS 27 HE2 LYS 27 -3.518 -4.259 6.000 179 2HE LYS 27 HE1 LYS 27 -3.983 -4.971 4.454 180 1HZ LYS 27 HZ1 LYS 27 -4.821 -6.840 5.461 181 2HZ LYS 27 HZ2 LYS 27 -5.217 -5.653 6.610 182 3HZ LYS 27 HZ3 LYS 27 -3.872 -6.664 6.856 183 H CYS 28 HN CYS 28 2.137 -2.267 4.834 184 HA CYS 28 HA CYS 28 3.195 -2.060 2.042 185 1HB CYS 28 HB2 CYS 28 3.143 0.127 3.109 186 2HB CYS 28 HB1 CYS 28 3.964 -0.512 4.534 187 H MET 29 HN MET 29 4.696 -3.582 1.581 188 HA MET 29 HA MET 29 6.219 -4.789 3.858 189 1HB MET 29 HB2 MET 29 4.762 -5.967 1.634 190 2HB MET 29 HB1 MET 29 6.448 -6.486 1.634 191 1HG MET 29 HG2 MET 29 6.145 -7.775 3.462 192 2HG MET 29 HG1 MET 29 5.317 -6.475 4.322 193 1HE MET 29 HE1 MET 29 3.059 -6.350 4.836 194 2HE MET 29 HE2 MET 29 1.701 -6.924 3.872 195 3HE MET 29 HE3 MET 29 2.774 -5.687 3.221 196 H ASN 30 HN ASN 30 8.203 -6.061 2.347 197 HA ASN 30 HA ASN 30 10.128 -4.045 1.976 198 1HB ASN 30 HB2 ASN 30 11.214 -5.822 0.393 199 2HB ASN 30 HB1 ASN 30 11.006 -6.222 2.098 200 1HD2 ASN 30 HD21 ASN 30 9.783 -6.872 -1.162 201 2HD2 ASN 30 HD22 ASN 30 8.835 -8.212 -0.730 202 H ARG 31 HN ARG 31 9.210 -2.319 0.767 203 HA ARG 31 HA ARG 31 8.583 -1.155 -1.174 204 1HB ARG 31 HB2 ARG 31 10.219 -3.287 -2.575 205 2HB ARG 31 HB1 ARG 31 9.913 -1.639 -3.126 206 1HG ARG 31 HG2 ARG 31 11.287 -0.700 -1.441 207 2HG ARG 31 HG1 ARG 31 11.297 -2.193 -0.501 208 1HD ARG 31 HD2 ARG 31 12.290 -2.690 -3.171 209 2HD ARG 31 HD1 ARG 31 13.200 -1.381 -2.418 210 HE ARG 31 HE ARG 31 13.434 -4.139 -1.723 211 1HH1 ARG 31 HH21 ARG 31 14.813 -1.328 -0.938 212 2HH1 ARG 31 HH22 ARG 31 14.911 -1.578 0.774 213 1HH2 ARG 31 HH11 ARG 31 12.817 -4.343 0.756 214 2HH2 ARG 31 HH12 ARG 31 13.782 -3.287 1.733 215 H LYS 32 HN LYS 32 6.573 -2.831 -0.359 216 HA LYS 32 HA LYS 32 5.448 -3.704 -2.966 217 1HB LYS 32 HB2 LYS 32 6.071 -5.445 -0.642 218 2HB LYS 32 HB1 LYS 32 4.488 -5.683 -1.382 219 1HG LYS 32 HG2 LYS 32 5.601 -5.885 -3.607 220 2HG LYS 32 HG1 LYS 32 7.166 -5.767 -2.802 221 1HD LYS 32 HD2 LYS 32 6.613 -7.774 -1.457 222 2HD LYS 32 HD1 LYS 32 5.072 -7.904 -2.305 223 1HE LYS 32 HE2 LYS 32 6.509 -9.393 -3.463 224 2HE LYS 32 HE1 LYS 32 6.469 -7.946 -4.470 225 1HZ LYS 32 HZ1 LYS 32 8.500 -7.235 -3.141 226 2HZ LYS 32 HZ2 LYS 32 8.715 -8.471 -4.287 227 3HZ LYS 32 HZ3 LYS 32 8.600 -8.851 -2.636 228 H CYS 33 HN CYS 33 3.865 -2.098 -2.954 229 HA CYS 33 HA CYS 33 2.253 -1.646 -0.525 230 1HB CYS 33 HB2 CYS 33 2.526 -0.352 -3.202 231 2HB CYS 33 HB1 CYS 33 0.973 -0.190 -2.382 232 H LYS 34 HN LYS 34 0.426 -2.823 -0.123 233 HA LYS 34 HA LYS 34 -1.006 -3.996 -2.469 234 1HB LYS 34 HB2 LYS 34 -1.459 -5.720 -0.275 235 2HB LYS 34 HB1 LYS 34 -0.535 -6.072 -1.732 236 1HG LYS 34 HG2 LYS 34 1.454 -4.956 -0.590 237 2HG LYS 34 HG1 LYS 34 0.499 -4.974 0.892 238 1HD LYS 34 HD2 LYS 34 1.715 -6.980 1.036 239 2HD LYS 34 HD1 LYS 34 0.169 -7.507 0.369 240 1HE LYS 34 HE2 LYS 34 1.261 -7.136 -1.946 241 2HE LYS 34 HE1 LYS 34 2.791 -7.109 -1.070 242 1HZ LYS 34 HZ1 LYS 34 1.074 -9.326 -1.685 243 2HZ LYS 34 HZ2 LYS 34 1.528 -9.276 -0.049 244 3HZ LYS 34 HZ3 LYS 34 2.717 -9.314 -1.263 245 H CYS 35 HN CYS 35 -3.119 -3.436 -2.494 246 HA CYS 35 HA CYS 35 -4.267 -2.150 -0.074 247 1HB CYS 35 HB2 CYS 35 -5.732 -2.362 -2.685 248 2HB CYS 35 HB1 CYS 35 -5.760 -1.064 -1.493 249 H PHE 36 HN PHE 36 -6.242 -2.902 0.851 250 HA PHE 36 HA PHE 36 -7.503 -5.315 -0.252 251 1HB PHE 36 HB2 PHE 36 -5.674 -5.377 2.091 252 2HB PHE 36 HB1 PHE 36 -7.177 -6.289 2.238 253 HD1 PHE 36 HD1 PHE 36 -3.871 -6.649 1.352 254 HD2 PHE 36 HD2 PHE 36 -7.793 -7.490 -0.185 255 HE1 PHE 36 HE1 PHE 36 -2.927 -8.442 -0.079 256 HE2 PHE 36 HE2 PHE 36 -6.850 -9.282 -1.615 257 HZ PHE 36 HZ PHE 36 -4.417 -9.758 -1.563 258 H GLY 37 HN GLY 37 -8.603 -2.795 0.095 259 1HA GLY 37 HA2 GLY 37 -9.922 -2.433 2.619 260 2HA GLY 37 HA1 GLY 37 -10.431 -1.707 1.093 261 H ARG 38 HN ARG 38 -10.719 -4.255 -0.296 262 HA ARG 38 HA ARG 38 -12.431 -6.074 1.050 263 1HB ARG 38 HB2 ARG 38 -13.704 -3.646 0.773 264 2HB ARG 38 HB1 ARG 38 -14.246 -4.515 -0.663 265 1HG ARG 38 HG2 ARG 38 -15.002 -6.387 0.704 266 2HG ARG 38 HG1 ARG 38 -14.367 -5.618 2.159 267 1HD ARG 38 HD2 ARG 38 -16.526 -4.443 0.385 268 2HD ARG 38 HD1 ARG 38 -16.820 -5.277 1.911 269 HE ARG 38 HE ARG 38 -15.926 -3.388 3.077 270 1HH1 ARG 38 HH11 ARG 38 -17.225 -2.297 0.363 271 2HH1 ARG 38 HH12 ARG 38 -16.115 -1.004 0.053 272 1HH2 ARG 38 HH21 ARG 38 -13.782 -2.098 2.373 273 2HH2 ARG 38 HH22 ARG 38 -14.164 -0.893 1.189 Start of MODEL 3 1 1H THR 4 HT1 THR 4 8.139 -3.784 -7.587 2 2H THR 4 HT2 THR 4 7.032 -5.010 -7.985 3 3H THR 4 HT3 THR 4 7.265 -4.565 -6.362 4 HA THR 4 HA THR 4 5.905 -3.056 -8.508 5 HB THR 4 HB THR 4 4.977 -3.432 -5.675 6 HG1 THR 4 HG1 THR 4 3.862 -5.327 -6.881 7 1HG2 THR 4 HG21 THR 4 3.325 -3.586 -8.174 8 2HG2 THR 4 HG22 THR 4 3.894 -2.016 -7.607 9 3HG2 THR 4 HG23 THR 4 2.871 -3.011 -6.571 10 H ILE 5 HN ILE 5 4.845 -1.474 -6.071 11 HA ILE 5 HA ILE 5 6.637 0.746 -6.348 12 HB ILE 5 HB ILE 5 4.828 0.547 -3.999 13 1HG1 ILE 5 HG12 ILE 5 3.125 1.425 -5.950 14 2HG1 ILE 5 HG11 ILE 5 4.028 0.183 -6.820 15 1HG2 ILE 5 HG21 ILE 5 5.534 2.703 -4.070 16 2HG2 ILE 5 HG22 ILE 5 4.321 2.876 -5.338 17 3HG2 ILE 5 HG23 ILE 5 6.007 2.584 -5.765 18 1HD1 ILE 5 HD11 ILE 5 2.019 -0.123 -4.728 19 2HD1 ILE 5 HD12 ILE 5 3.510 -0.980 -4.342 20 3HD1 ILE 5 HD13 ILE 5 2.660 -1.323 -5.847 21 H SER 6 HN SER 6 7.470 1.811 -4.170 22 HA SER 6 HA SER 6 8.724 -0.317 -2.491 23 1HB SER 6 HB2 SER 6 10.248 2.151 -3.293 24 2HB SER 6 HB1 SER 6 10.871 0.614 -2.703 25 HG SER 6 HG SER 6 10.122 -0.315 -4.678 26 H CYS 7 HN CYS 7 7.657 0.079 -0.582 27 HA CYS 7 HA CYS 7 7.850 2.859 0.498 28 1HB CYS 7 HB2 CYS 7 5.654 2.593 1.524 29 2HB CYS 7 HB1 CYS 7 5.517 2.305 -0.210 30 H THR 8 HN THR 8 7.868 2.934 2.871 31 HA THR 8 HA THR 8 8.767 0.373 4.125 32 HB THR 8 HB THR 8 10.742 1.763 3.830 33 HG1 THR 8 HG1 THR 8 10.041 2.302 6.482 34 1HG2 THR 8 HG21 THR 8 9.231 3.892 3.692 35 2HG2 THR 8 HG22 THR 8 10.857 4.041 4.359 36 3HG2 THR 8 HG23 THR 8 9.465 3.960 5.438 37 H ASN 9 HN ASN 9 6.256 2.244 3.980 38 HA ASN 9 HA ASN 9 5.523 1.858 6.802 39 1HB ASN 9 HB2 ASN 9 6.605 4.239 6.341 40 2HB ASN 9 HB1 ASN 9 5.012 4.590 5.669 41 1HD2 ASN 9 HD21 ASN 9 6.434 5.411 8.318 42 2HD2 ASN 9 HD22 ASN 9 5.272 5.069 9.508 43 H GLU 10 HN GLU 10 3.340 1.373 6.926 44 HA GLU 10 HA GLU 10 1.876 0.809 4.550 45 1HB GLU 10 HB2 GLU 10 -0.113 0.698 6.149 46 2HB GLU 10 HB1 GLU 10 1.253 -0.344 6.548 47 1HG GLU 10 HG2 GLU 10 1.988 1.086 8.283 48 2HG GLU 10 HG1 GLU 10 1.018 2.437 7.695 49 H LYS 11 HN LYS 11 2.341 3.767 6.252 50 HA LYS 11 HA LYS 11 -0.098 5.087 5.459 51 1HB LYS 11 HB2 LYS 11 1.354 5.876 7.315 52 2HB LYS 11 HB1 LYS 11 2.593 6.305 6.133 53 1HG LYS 11 HG2 LYS 11 0.617 7.639 5.000 54 2HG LYS 11 HG1 LYS 11 -0.079 7.577 6.620 55 1HD LYS 11 HD2 LYS 11 1.160 9.526 6.791 56 2HD LYS 11 HD1 LYS 11 2.364 8.351 7.326 57 1HE LYS 11 HE2 LYS 11 3.576 8.490 5.365 58 2HE LYS 11 HE1 LYS 11 2.159 8.897 4.396 59 1HZ LYS 11 HZ1 LYS 11 3.898 10.632 5.968 60 2HZ LYS 11 HZ2 LYS 11 2.245 11.020 5.945 61 3HZ LYS 11 HZ3 LYS 11 3.120 10.929 4.492 62 H GLN 12 HN GLN 12 2.979 4.537 3.868 63 HA GLN 12 HA GLN 12 2.670 6.593 1.871 64 1HB GLN 12 HB2 GLN 12 4.420 4.202 2.236 65 2HB GLN 12 HB1 GLN 12 4.301 4.899 0.621 66 1HG GLN 12 HG2 GLN 12 5.309 6.876 1.246 67 2HG GLN 12 HG1 GLN 12 4.710 6.779 2.901 68 1HE2 GLN 12 HE21 GLN 12 6.427 6.489 4.322 69 2HE2 GLN 12 HE22 GLN 12 7.789 5.520 4.024 70 H CYS 13 HN CYS 13 1.267 3.424 2.225 71 HA CYS 13 HA CYS 13 0.516 3.403 -0.654 72 1HB CYS 13 HB2 CYS 13 -0.303 1.267 1.288 73 2HB CYS 13 HB1 CYS 13 0.035 1.134 -0.437 74 H TYR 14 HN TYR 14 -0.687 4.727 2.127 75 HA TYR 14 HA TYR 14 -3.426 3.981 2.131 76 1HB TYR 14 HB2 TYR 14 -1.836 6.233 3.164 77 2HB TYR 14 HB1 TYR 14 -3.513 6.645 2.804 78 HD1 TYR 14 HD1 TYR 14 -5.240 6.010 4.275 79 HD2 TYR 14 HD2 TYR 14 -1.402 4.113 4.563 80 HE1 TYR 14 HE1 TYR 14 -5.969 4.850 6.342 81 HE2 TYR 14 HE2 TYR 14 -2.126 2.954 6.632 82 HH TYR 14 HH TYR 14 -5.390 2.851 7.629 83 HA PRO 15 HA PRO 15 -4.178 7.453 -1.055 84 1HB PRO 15 HB2 PRO 15 -1.972 8.675 -2.147 85 2HB PRO 15 HB1 PRO 15 -2.783 9.253 -0.683 86 1HG PRO 15 HG2 PRO 15 -0.186 7.813 -0.943 87 2HG PRO 15 HG1 PRO 15 -0.732 8.924 0.325 88 1HD PRO 15 HD2 PRO 15 -0.658 6.100 0.506 89 2HD PRO 15 HD1 PRO 15 -1.489 7.199 1.628 90 H HIS 16 HN HIS 16 -1.793 5.027 -1.352 91 HA HIS 16 HA HIS 16 -1.647 4.993 -4.262 92 1HB HIS 16 HB2 HIS 16 0.086 4.047 -2.607 93 2HB HIS 16 HB1 HIS 16 -1.007 2.673 -2.434 94 HD1 HIS 16 HD1 HIS 16 -0.065 0.836 -3.849 95 HD2 HIS 16 HD2 HIS 16 0.116 4.521 -5.779 96 HE1 HIS 16 HE1 HIS 16 0.803 0.378 -6.185 97 H CYS 17 HN CYS 17 -3.080 2.715 -1.890 98 HA CYS 17 HA CYS 17 -4.618 1.343 -3.909 99 1HB CYS 17 HB2 CYS 17 -4.939 1.429 -0.895 100 2HB CYS 17 HB1 CYS 17 -5.783 0.310 -1.965 101 H LYS 18 HN LYS 18 -5.279 4.037 -1.713 102 HA LYS 18 HA LYS 18 -8.104 4.151 -2.111 103 1HB LYS 18 HB2 LYS 18 -6.607 5.474 -0.442 104 2HB LYS 18 HB1 LYS 18 -6.400 6.615 -1.771 105 1HG LYS 18 HG2 LYS 18 -8.519 7.405 -1.579 106 2HG LYS 18 HG1 LYS 18 -9.192 5.793 -1.338 107 1HD LYS 18 HD2 LYS 18 -8.500 5.804 0.999 108 2HD LYS 18 HD1 LYS 18 -7.693 7.359 0.782 109 1HE LYS 18 HE2 LYS 18 -9.636 8.348 1.352 110 2HE LYS 18 HE1 LYS 18 -10.300 7.762 -0.173 111 1HZ LYS 18 HZ1 LYS 18 -10.434 6.485 2.491 112 2HZ LYS 18 HZ2 LYS 18 -10.738 5.618 1.061 113 3HZ LYS 18 HZ3 LYS 18 -11.716 6.942 1.480 114 H LYS 19 HN LYS 19 -5.408 5.654 -3.889 115 HA LYS 19 HA LYS 19 -7.213 6.906 -5.821 116 1HB LYS 19 HB2 LYS 19 -4.243 6.701 -5.466 117 2HB LYS 19 HB1 LYS 19 -4.879 7.155 -7.048 118 1HG LYS 19 HG2 LYS 19 -6.045 8.543 -4.686 119 2HG LYS 19 HG1 LYS 19 -4.392 8.972 -5.127 120 1HD LYS 19 HD2 LYS 19 -6.071 8.789 -7.487 121 2HD LYS 19 HD1 LYS 19 -6.747 9.930 -6.323 122 1HE LYS 19 HE2 LYS 19 -5.020 11.399 -6.563 123 2HE LYS 19 HE1 LYS 19 -3.819 10.114 -6.698 124 1HZ LYS 19 HZ1 LYS 19 -3.984 11.225 -8.787 125 2HZ LYS 19 HZ2 LYS 19 -5.674 11.055 -8.816 126 3HZ LYS 19 HZ3 LYS 19 -4.677 9.687 -8.965 127 H GLU 20 HN GLU 20 -5.883 3.801 -5.390 128 HA GLU 20 HA GLU 20 -5.736 3.098 -8.223 129 1HB GLU 20 HB2 GLU 20 -5.340 1.711 -5.619 130 2HB GLU 20 HB1 GLU 20 -5.805 0.702 -6.989 131 1HG GLU 20 HG2 GLU 20 -3.624 2.729 -7.350 132 2HG GLU 20 HG1 GLU 20 -3.255 1.209 -6.535 133 H THR 21 HN THR 21 -7.784 1.776 -5.596 134 HA THR 21 HA THR 21 -10.008 1.627 -7.594 135 HB THR 21 HB THR 21 -9.485 -0.629 -7.268 136 HG1 THR 21 HG1 THR 21 -11.154 -1.399 -6.071 137 1HG2 THR 21 HG21 THR 21 -8.926 0.075 -4.375 138 2HG2 THR 21 HG22 THR 21 -7.725 -0.299 -5.611 139 3HG2 THR 21 HG23 THR 21 -8.832 -1.551 -5.048 140 H GLY 22 HN GLY 22 -8.945 2.901 -4.655 141 1HA GLY 22 HA2 GLY 22 -10.318 4.567 -3.510 142 2HA GLY 22 HA1 GLY 22 -11.748 3.636 -3.958 143 H TYR 23 HN TYR 23 -8.725 2.406 -2.549 144 HA TYR 23 HA TYR 23 -10.235 1.772 -0.059 145 1HB TYR 23 HB2 TYR 23 -8.902 -0.112 -1.944 146 2HB TYR 23 HB1 TYR 23 -8.696 -0.424 -0.220 147 HD1 TYR 23 HD1 TYR 23 -10.837 -0.878 -3.017 148 HD2 TYR 23 HD2 TYR 23 -10.878 -0.283 1.237 149 HE1 TYR 23 HE1 TYR 23 -13.126 -1.824 -2.907 150 HE2 TYR 23 HE2 TYR 23 -13.167 -1.230 1.347 151 HH TYR 23 HH TYR 23 -14.696 -2.672 -1.484 152 HA PRO 24 HA PRO 24 -6.383 3.623 1.337 153 1HB PRO 24 HB2 PRO 24 -7.278 4.066 3.898 154 2HB PRO 24 HB1 PRO 24 -7.636 5.142 2.536 155 1HG PRO 24 HG2 PRO 24 -9.424 3.174 3.894 156 2HG PRO 24 HG1 PRO 24 -9.843 4.671 3.044 157 1HD PRO 24 HD2 PRO 24 -10.107 2.066 1.997 158 2HD PRO 24 HD1 PRO 24 -10.146 3.572 1.054 159 H ASN 25 HN ASN 25 -8.227 1.069 2.966 160 HA ASN 25 HA ASN 25 -6.303 0.188 4.832 161 1HB ASN 25 HB2 ASN 25 -8.768 -0.732 3.909 162 2HB ASN 25 HB1 ASN 25 -7.650 -2.028 3.487 163 1HD2 ASN 25 HD21 ASN 25 -9.751 -1.763 5.738 164 2HD2 ASN 25 HD22 ASN 25 -8.888 -2.160 7.145 165 H ALA 26 HN ALA 26 -4.170 0.037 4.173 166 HA ALA 26 HA ALA 26 -3.603 -1.960 2.037 167 1HB ALA 26 HB1 ALA 26 -1.681 0.227 2.014 168 2HB ALA 26 HB2 ALA 26 -3.312 0.798 1.663 169 3HB ALA 26 HB3 ALA 26 -2.591 -0.472 0.675 170 H LYS 27 HN LYS 27 -1.230 -2.620 2.121 171 HA LYS 27 HA LYS 27 -0.143 -2.362 4.893 172 1HB LYS 27 HB2 LYS 27 0.074 -4.932 3.334 173 2HB LYS 27 HB1 LYS 27 0.232 -4.677 5.073 174 1HG LYS 27 HG2 LYS 27 -2.321 -4.460 3.452 175 2HG LYS 27 HG1 LYS 27 -1.919 -5.732 4.607 176 1HD LYS 27 HD2 LYS 27 -1.596 -3.144 5.846 177 2HD LYS 27 HD1 LYS 27 -3.213 -3.282 5.154 178 1HE LYS 27 HE2 LYS 27 -3.850 -4.842 6.671 179 2HE LYS 27 HE1 LYS 27 -2.323 -5.715 6.542 180 1HZ LYS 27 HZ1 LYS 27 -2.146 -4.901 8.643 181 2HZ LYS 27 HZ2 LYS 27 -3.065 -3.508 8.318 182 3HZ LYS 27 HZ3 LYS 27 -1.449 -3.605 7.799 183 H CYS 28 HN CYS 28 1.962 -1.729 4.878 184 HA CYS 28 HA CYS 28 3.431 -1.868 2.288 185 1HB CYS 28 HB2 CYS 28 3.221 0.375 3.266 186 2HB CYS 28 HB1 CYS 28 3.943 -0.198 4.769 187 H MET 29 HN MET 29 4.678 -3.681 2.182 188 HA MET 29 HA MET 29 6.486 -4.256 4.467 189 1HB MET 29 HB2 MET 29 5.911 -6.788 3.840 190 2HB MET 29 HB1 MET 29 4.964 -5.902 5.034 191 1HG MET 29 HG2 MET 29 3.144 -5.711 3.651 192 2HG MET 29 HG1 MET 29 4.132 -5.602 2.195 193 1HE MET 29 HE1 MET 29 3.564 -8.158 0.437 194 2HE MET 29 HE2 MET 29 2.823 -6.648 0.963 195 3HE MET 29 HE3 MET 29 1.969 -8.171 1.203 196 H ASN 30 HN ASN 30 8.469 -5.145 3.805 197 HA ASN 30 HA ASN 30 10.238 -5.337 2.253 198 1HB ASN 30 HB2 ASN 30 8.629 -7.499 2.113 199 2HB ASN 30 HB1 ASN 30 8.477 -6.921 0.452 200 1HD2 ASN 30 HD21 ASN 30 9.770 -9.323 0.691 201 2HD2 ASN 30 HD22 ASN 30 11.446 -9.141 0.488 202 H ARG 31 HN ARG 31 9.104 -2.916 1.829 203 HA ARG 31 HA ARG 31 8.651 -1.277 0.203 204 1HB ARG 31 HB2 ARG 31 10.321 -3.155 -1.498 205 2HB ARG 31 HB1 ARG 31 10.046 -1.440 -1.802 206 1HG ARG 31 HG2 ARG 31 12.093 -1.344 -0.713 207 2HG ARG 31 HG1 ARG 31 10.995 -1.185 0.659 208 1HD ARG 31 HD2 ARG 31 12.869 -2.907 0.920 209 2HD ARG 31 HD1 ARG 31 11.235 -3.486 1.245 210 HE ARG 31 HE ARG 31 11.535 -4.979 -0.542 211 1HH1 ARG 31 HH21 ARG 31 14.480 -3.687 -0.369 212 2HH1 ARG 31 HH22 ARG 31 14.795 -3.572 -2.069 213 1HH2 ARG 31 HH11 ARG 31 11.509 -4.183 -2.990 214 2HH2 ARG 31 HH12 ARG 31 13.114 -3.852 -3.552 215 H LYS 32 HN LYS 32 6.490 -2.937 0.460 216 HA LYS 32 HA LYS 32 5.556 -3.136 -2.360 217 1HB LYS 32 HB2 LYS 32 6.204 -5.378 -0.835 218 2HB LYS 32 HB1 LYS 32 4.451 -5.252 -0.680 219 1HG LYS 32 HG2 LYS 32 4.279 -5.065 -3.161 220 2HG LYS 32 HG1 LYS 32 6.022 -5.312 -3.271 221 1HD LYS 32 HD2 LYS 32 4.957 -7.363 -1.595 222 2HD LYS 32 HD1 LYS 32 3.973 -7.295 -3.057 223 1HE LYS 32 HE2 LYS 32 5.622 -8.202 -4.294 224 2HE LYS 32 HE1 LYS 32 6.789 -7.022 -3.699 225 1HZ LYS 32 HZ1 LYS 32 7.289 -8.341 -1.856 226 2HZ LYS 32 HZ2 LYS 32 7.218 -9.440 -3.149 227 3HZ LYS 32 HZ3 LYS 32 5.921 -9.324 -2.059 228 H CYS 33 HN CYS 33 3.586 -2.201 -2.601 229 HA CYS 33 HA CYS 33 2.060 -1.519 -0.128 230 1HB CYS 33 HB2 CYS 33 2.228 -0.279 -2.875 231 2HB CYS 33 HB1 CYS 33 0.875 0.074 -1.804 232 H LYS 34 HN LYS 34 0.665 -3.245 0.194 233 HA LYS 34 HA LYS 34 -0.730 -4.412 -2.149 234 1HB LYS 34 HB2 LYS 34 0.327 -5.652 -0.025 235 2HB LYS 34 HB1 LYS 34 -1.279 -5.342 0.634 236 1HG LYS 34 HG2 LYS 34 -2.312 -6.760 -0.845 237 2HG LYS 34 HG1 LYS 34 -1.162 -6.419 -2.139 238 1HD LYS 34 HD2 LYS 34 0.553 -7.669 -0.626 239 2HD LYS 34 HD1 LYS 34 -0.874 -8.313 0.186 240 1HE LYS 34 HE2 LYS 34 -1.224 -8.482 -2.673 241 2HE LYS 34 HE1 LYS 34 0.298 -9.245 -2.214 242 1HZ LYS 34 HZ1 LYS 34 -0.758 -10.760 -0.873 243 2HZ LYS 34 HZ2 LYS 34 -1.891 -10.595 -2.129 244 3HZ LYS 34 HZ3 LYS 34 -2.132 -9.791 -0.652 245 H CYS 35 HN CYS 35 -3.067 -4.560 -2.193 246 HA CYS 35 HA CYS 35 -4.394 -2.416 -0.581 247 1HB CYS 35 HB2 CYS 35 -5.185 -3.471 -3.314 248 2HB CYS 35 HB1 CYS 35 -5.950 -2.139 -2.446 249 H PHE 36 HN PHE 36 -5.892 -3.153 0.838 250 HA PHE 36 HA PHE 36 -6.782 -5.964 0.658 251 1HB PHE 36 HB2 PHE 36 -6.641 -3.889 2.762 252 2HB PHE 36 HB1 PHE 36 -8.042 -4.955 2.857 253 HD1 PHE 36 HD1 PHE 36 -4.319 -5.001 2.470 254 HD2 PHE 36 HD2 PHE 36 -7.829 -7.122 3.748 255 HE1 PHE 36 HE1 PHE 36 -2.892 -6.797 3.411 256 HE2 PHE 36 HE2 PHE 36 -6.401 -8.918 4.690 257 HZ PHE 36 HZ PHE 36 -3.933 -8.756 4.521 258 H GLY 37 HN GLY 37 -7.759 -3.680 -1.151 259 1HA GLY 37 HA2 GLY 37 -10.333 -2.811 -0.661 260 2HA GLY 37 HA1 GLY 37 -9.821 -3.345 -2.261 261 H ARG 38 HN ARG 38 -9.315 -6.103 -1.349 262 HA ARG 38 HA ARG 38 -11.895 -7.099 -0.371 263 1HB ARG 38 HB2 ARG 38 -11.543 -6.745 -3.153 264 2HB ARG 38 HB1 ARG 38 -11.369 -8.475 -2.858 265 1HG ARG 38 HG2 ARG 38 -13.562 -8.718 -2.352 266 2HG ARG 38 HG1 ARG 38 -13.572 -7.273 -1.341 267 1HD ARG 38 HD2 ARG 38 -14.450 -6.018 -2.999 268 2HD ARG 38 HD1 ARG 38 -13.262 -6.610 -4.162 269 HE ARG 38 HE ARG 38 -14.809 -8.686 -4.292 270 1HH1 ARG 38 HH11 ARG 38 -16.734 -7.308 -2.310 271 2HH1 ARG 38 HH12 ARG 38 -17.952 -6.740 -3.402 272 1HH2 ARG 38 HH21 ARG 38 -15.996 -7.172 -6.231 273 2HH2 ARG 38 HH22 ARG 38 -17.534 -6.660 -5.621 Start of MODEL 4 1 1H THR 4 HT1 THR 4 7.516 -3.262 -6.960 2 2H THR 4 HT2 THR 4 6.005 -4.034 -7.046 3 3H THR 4 HT3 THR 4 6.352 -2.978 -5.761 4 HA THR 4 HA THR 4 6.370 -2.045 -8.556 5 HB THR 4 HB THR 4 4.028 -2.234 -6.653 6 HG1 THR 4 HG1 THR 4 4.505 -3.171 -9.286 7 1HG2 THR 4 HG21 THR 4 2.789 -0.875 -8.222 8 2HG2 THR 4 HG22 THR 4 4.161 -0.824 -9.330 9 3HG2 THR 4 HG23 THR 4 4.251 0.007 -7.777 10 H ILE 5 HN ILE 5 4.749 -0.764 -5.756 11 HA ILE 5 HA ILE 5 6.273 1.725 -5.993 12 HB ILE 5 HB ILE 5 4.785 1.810 -3.597 13 1HG1 ILE 5 HG12 ILE 5 3.202 0.551 -5.858 14 2HG1 ILE 5 HG11 ILE 5 3.576 -0.215 -4.313 15 1HG2 ILE 5 HG21 ILE 5 3.757 2.815 -6.235 16 2HG2 ILE 5 HG22 ILE 5 5.228 3.492 -5.538 17 3HG2 ILE 5 HG23 ILE 5 3.706 3.596 -4.654 18 1HD1 ILE 5 HD11 ILE 5 2.451 1.877 -3.258 19 2HD1 ILE 5 HD12 ILE 5 1.411 0.643 -3.970 20 3HD1 ILE 5 HD13 ILE 5 1.761 2.125 -4.860 21 H SER 6 HN SER 6 7.797 2.499 -4.507 22 HA SER 6 HA SER 6 8.910 0.431 -2.680 23 1HB SER 6 HB2 SER 6 10.771 2.288 -2.523 24 2HB SER 6 HB1 SER 6 10.676 1.269 -3.957 25 HG SER 6 HG SER 6 9.636 2.904 -5.029 26 H CYS 7 HN CYS 7 7.444 0.641 -0.921 27 HA CYS 7 HA CYS 7 7.661 3.246 0.534 28 1HB CYS 7 HB2 CYS 7 5.351 2.937 1.313 29 2HB CYS 7 HB1 CYS 7 5.402 2.966 -0.449 30 H THR 8 HN THR 8 7.361 3.005 2.903 31 HA THR 8 HA THR 8 8.027 0.262 3.882 32 HB THR 8 HB THR 8 9.539 1.362 5.562 33 HG1 THR 8 HG1 THR 8 8.834 3.584 3.978 34 1HG2 THR 8 HG21 THR 8 10.436 2.105 2.787 35 2HG2 THR 8 HG22 THR 8 10.225 0.414 3.241 36 3HG2 THR 8 HG23 THR 8 11.383 1.423 4.109 37 H ASN 9 HN ASN 9 6.699 3.469 4.590 38 HA ASN 9 HA ASN 9 5.561 2.579 7.145 39 1HB ASN 9 HB2 ASN 9 5.987 5.094 5.784 40 2HB ASN 9 HB1 ASN 9 4.307 4.972 6.310 41 1HD2 ASN 9 HD21 ASN 9 7.679 4.829 7.495 42 2HD2 ASN 9 HD22 ASN 9 7.293 5.152 9.115 43 H GLU 10 HN GLU 10 3.262 2.379 7.517 44 HA GLU 10 HA GLU 10 1.854 1.045 5.393 45 1HB GLU 10 HB2 GLU 10 1.384 1.710 8.208 46 2HB GLU 10 HB1 GLU 10 -0.086 1.761 7.236 47 1HG GLU 10 HG2 GLU 10 0.407 -0.501 6.371 48 2HG GLU 10 HG1 GLU 10 1.869 -0.555 7.358 49 H LYS 11 HN LYS 11 1.566 4.308 6.802 50 HA LYS 11 HA LYS 11 -0.685 5.095 5.198 51 1HB LYS 11 HB2 LYS 11 0.279 6.233 7.311 52 2HB LYS 11 HB1 LYS 11 1.421 7.004 6.209 53 1HG LYS 11 HG2 LYS 11 -0.148 8.538 5.717 54 2HG LYS 11 HG1 LYS 11 -1.134 7.256 5.015 55 1HD LYS 11 HD2 LYS 11 -1.582 6.864 7.685 56 2HD LYS 11 HD1 LYS 11 -1.398 8.617 7.622 57 1HE LYS 11 HE2 LYS 11 -3.010 8.474 5.575 58 2HE LYS 11 HE1 LYS 11 -3.422 6.884 6.219 59 1HZ LYS 11 HZ1 LYS 11 -3.413 9.246 7.980 60 2HZ LYS 11 HZ2 LYS 11 -4.266 7.787 8.151 61 3HZ LYS 11 HZ3 LYS 11 -4.754 8.928 6.991 62 H GLN 12 HN GLN 12 2.555 4.508 4.342 63 HA GLN 12 HA GLN 12 2.844 6.520 2.285 64 1HB GLN 12 HB2 GLN 12 4.281 4.031 3.074 65 2HB GLN 12 HB1 GLN 12 4.516 4.608 1.424 66 1HG GLN 12 HG2 GLN 12 4.701 6.927 2.936 67 2HG GLN 12 HG1 GLN 12 5.512 5.724 3.940 68 1HE2 GLN 12 HE21 GLN 12 5.357 6.143 0.354 69 2HE2 GLN 12 HE22 GLN 12 7.041 6.159 0.140 70 H CYS 13 HN CYS 13 0.767 3.911 2.503 71 HA CYS 13 HA CYS 13 0.471 3.867 -0.470 72 1HB CYS 13 HB2 CYS 13 1.424 1.724 0.933 73 2HB CYS 13 HB1 CYS 13 -0.309 1.400 0.959 74 H TYR 14 HN TYR 14 -0.896 4.938 2.210 75 HA TYR 14 HA TYR 14 -3.553 3.834 2.140 76 1HB TYR 14 HB2 TYR 14 -2.217 6.159 3.432 77 2HB TYR 14 HB1 TYR 14 -3.974 6.220 3.283 78 HD1 TYR 14 HD1 TYR 14 -4.936 5.639 5.330 79 HD2 TYR 14 HD2 TYR 14 -1.589 3.386 3.860 80 HE1 TYR 14 HE1 TYR 14 -5.161 4.064 7.233 81 HE2 TYR 14 HE2 TYR 14 -1.811 1.811 5.763 82 HH TYR 14 HH TYR 14 -4.515 1.600 7.662 83 HA PRO 15 HA PRO 15 -4.602 7.719 -0.460 84 1HB PRO 15 HB2 PRO 15 -2.502 9.085 -1.581 85 2HB PRO 15 HB1 PRO 15 -3.184 9.472 0.008 86 1HG PRO 15 HG2 PRO 15 -0.630 8.077 -0.652 87 2HG PRO 15 HG1 PRO 15 -1.041 9.050 0.769 88 1HD PRO 15 HD2 PRO 15 -0.965 6.239 0.664 89 2HD PRO 15 HD1 PRO 15 -1.723 7.204 1.950 90 H HIS 16 HN HIS 16 -1.478 6.564 -1.796 91 HA HIS 16 HA HIS 16 -2.236 6.470 -4.495 92 1HB HIS 16 HB2 HIS 16 0.017 6.047 -4.279 93 2HB HIS 16 HB1 HIS 16 -0.195 5.104 -2.809 94 HD1 HIS 16 HD1 HIS 16 0.475 4.732 -6.356 95 HD2 HIS 16 HD2 HIS 16 -1.348 2.414 -3.415 96 HE1 HIS 16 HE1 HIS 16 0.411 2.365 -7.255 97 H CYS 17 HN CYS 17 -2.687 3.997 -1.966 98 HA CYS 17 HA CYS 17 -3.876 2.042 -3.717 99 1HB CYS 17 HB2 CYS 17 -3.967 2.485 -0.733 100 2HB CYS 17 HB1 CYS 17 -4.893 1.197 -1.498 101 H LYS 18 HN LYS 18 -5.239 4.623 -1.687 102 HA LYS 18 HA LYS 18 -7.980 4.024 -2.026 103 1HB LYS 18 HB2 LYS 18 -7.170 5.752 -0.472 104 2HB LYS 18 HB1 LYS 18 -6.658 6.748 -1.835 105 1HG LYS 18 HG2 LYS 18 -8.724 7.674 -1.699 106 2HG LYS 18 HG1 LYS 18 -9.281 6.190 -2.472 107 1HD LYS 18 HD2 LYS 18 -9.797 5.183 -0.349 108 2HD LYS 18 HD1 LYS 18 -9.006 6.494 0.528 109 1HE LYS 18 HE2 LYS 18 -10.768 7.930 0.246 110 2HE LYS 18 HE1 LYS 18 -11.169 7.289 -1.348 111 1HZ LYS 18 HZ1 LYS 18 -12.695 6.808 0.686 112 2HZ LYS 18 HZ2 LYS 18 -11.558 5.589 1.013 113 3HZ LYS 18 HZ3 LYS 18 -12.400 5.597 -0.463 114 H LYS 19 HN LYS 19 -5.788 5.884 -4.125 115 HA LYS 19 HA LYS 19 -7.923 6.487 -6.029 116 1HB LYS 19 HB2 LYS 19 -4.925 6.711 -6.424 117 2HB LYS 19 HB1 LYS 19 -6.182 7.529 -7.352 118 1HG LYS 19 HG2 LYS 19 -6.754 8.950 -5.564 119 2HG LYS 19 HG1 LYS 19 -5.990 7.901 -4.369 120 1HD LYS 19 HD2 LYS 19 -4.659 9.970 -4.865 121 2HD LYS 19 HD1 LYS 19 -3.779 8.477 -5.192 122 1HE LYS 19 HE2 LYS 19 -3.973 8.713 -7.511 123 2HE LYS 19 HE1 LYS 19 -5.370 9.782 -7.385 124 1HZ LYS 19 HZ1 LYS 19 -2.576 10.452 -6.629 125 2HZ LYS 19 HZ2 LYS 19 -3.915 11.478 -6.427 126 3HZ LYS 19 HZ3 LYS 19 -3.412 11.030 -7.987 127 H GLU 20 HN GLU 20 -5.813 3.839 -5.446 128 HA GLU 20 HA GLU 20 -5.781 2.885 -8.210 129 1HB GLU 20 HB2 GLU 20 -4.481 2.203 -5.738 130 2HB GLU 20 HB1 GLU 20 -5.219 0.753 -6.422 131 1HG GLU 20 HG2 GLU 20 -4.161 1.779 -8.671 132 2HG GLU 20 HG1 GLU 20 -3.025 2.454 -7.502 133 H THR 21 HN THR 21 -7.122 1.364 -5.244 134 HA THR 21 HA THR 21 -9.222 0.152 -6.981 135 HB THR 21 HB THR 21 -7.860 -1.409 -5.623 136 HG1 THR 21 HG1 THR 21 -9.825 -2.220 -5.897 137 1HG2 THR 21 HG21 THR 21 -8.375 -1.325 -3.094 138 2HG2 THR 21 HG22 THR 21 -8.891 0.336 -3.390 139 3HG2 THR 21 HG23 THR 21 -7.228 -0.144 -3.728 140 H GLY 22 HN GLY 22 -8.745 2.270 -4.218 141 1HA GLY 22 HA2 GLY 22 -10.536 3.995 -3.908 142 2HA GLY 22 HA1 GLY 22 -11.706 2.702 -4.172 143 H TYR 23 HN TYR 23 -8.820 2.117 -2.295 144 HA TYR 23 HA TYR 23 -10.330 2.430 0.237 145 1HB TYR 23 HB2 TYR 23 -8.954 -0.150 -0.564 146 2HB TYR 23 HB1 TYR 23 -9.778 0.160 0.965 147 HD1 TYR 23 HD1 TYR 23 -10.156 -0.932 -2.434 148 HD2 TYR 23 HD2 TYR 23 -12.269 0.806 0.876 149 HE1 TYR 23 HE1 TYR 23 -12.312 -1.606 -3.458 150 HE2 TYR 23 HE2 TYR 23 -14.427 0.133 -0.147 151 HH TYR 23 HH TYR 23 -15.409 -0.663 -2.006 152 HA PRO 24 HA PRO 24 -6.217 3.850 1.222 153 1HB PRO 24 HB2 PRO 24 -6.862 4.761 3.733 154 2HB PRO 24 HB1 PRO 24 -7.222 5.657 2.247 155 1HG PRO 24 HG2 PRO 24 -9.077 4.144 4.020 156 2HG PRO 24 HG1 PRO 24 -9.420 5.502 2.935 157 1HD PRO 24 HD2 PRO 24 -9.964 2.766 2.412 158 2HD PRO 24 HD1 PRO 24 -10.024 4.094 1.232 159 H ASN 25 HN ASN 25 -7.777 1.156 2.330 160 HA ASN 25 HA ASN 25 -6.025 0.605 4.633 161 1HB ASN 25 HB2 ASN 25 -8.508 -0.146 4.308 162 2HB ASN 25 HB1 ASN 25 -7.811 -1.431 3.323 163 1HD2 ASN 25 HD21 ASN 25 -8.458 -3.035 4.983 164 2HD2 ASN 25 HD22 ASN 25 -7.581 -3.172 6.429 165 H ALA 26 HN ALA 26 -3.932 0.496 3.708 166 HA ALA 26 HA ALA 26 -3.443 -1.983 2.146 167 1HB ALA 26 HB1 ALA 26 -3.150 0.739 1.154 168 2HB ALA 26 HB2 ALA 26 -3.038 -0.787 0.276 169 3HB ALA 26 HB3 ALA 26 -1.621 -0.139 1.101 170 H LYS 27 HN LYS 27 -1.244 -2.769 2.396 171 HA LYS 27 HA LYS 27 0.221 -1.473 4.661 172 1HB LYS 27 HB2 LYS 27 -0.693 -4.262 4.285 173 2HB LYS 27 HB1 LYS 27 0.970 -4.088 4.850 174 1HG LYS 27 HG2 LYS 27 -0.623 -4.203 6.744 175 2HG LYS 27 HG1 LYS 27 0.214 -2.651 6.694 176 1HD LYS 27 HD2 LYS 27 -1.685 -1.494 6.183 177 2HD LYS 27 HD1 LYS 27 -2.306 -2.778 5.144 178 1HE LYS 27 HE2 LYS 27 -3.205 -3.980 6.952 179 2HE LYS 27 HE1 LYS 27 -2.179 -3.158 8.128 180 1HZ LYS 27 HZ1 LYS 27 -3.536 -1.374 8.209 181 2HZ LYS 27 HZ2 LYS 27 -4.707 -2.512 7.740 182 3HZ LYS 27 HZ3 LYS 27 -3.999 -1.491 6.582 183 H CYS 28 HN CYS 28 2.505 -1.511 4.514 184 HA CYS 28 HA CYS 28 3.532 -2.053 1.771 185 1HB CYS 28 HB2 CYS 28 4.520 -0.372 4.079 186 2HB CYS 28 HB1 CYS 28 5.571 -0.780 2.724 187 H MET 29 HN MET 29 3.959 -4.277 1.814 188 HA MET 29 HA MET 29 5.628 -5.306 4.051 189 1HB MET 29 HB2 MET 29 3.444 -6.438 3.080 190 2HB MET 29 HB1 MET 29 4.561 -7.054 1.863 191 1HG MET 29 HG2 MET 29 5.833 -7.377 4.379 192 2HG MET 29 HG1 MET 29 4.181 -7.963 4.564 193 1HE MET 29 HE1 MET 29 4.098 -10.361 4.624 194 2HE MET 29 HE2 MET 29 4.099 -11.257 3.106 195 3HE MET 29 HE3 MET 29 3.092 -9.820 3.272 196 H ASN 30 HN ASN 30 7.717 -4.663 3.508 197 HA ASN 30 HA ASN 30 9.765 -4.715 2.368 198 1HB ASN 30 HB2 ASN 30 8.439 -7.262 1.856 199 2HB ASN 30 HB1 ASN 30 9.516 -6.803 0.535 200 1HD2 ASN 30 HD21 ASN 30 9.608 -6.633 4.150 201 2HD2 ASN 30 HD22 ASN 30 11.201 -7.210 4.276 202 H ARG 31 HN ARG 31 8.326 -2.746 1.353 203 HA ARG 31 HA ARG 31 8.045 -1.426 -0.565 204 1HB ARG 31 HB2 ARG 31 10.113 -3.426 -1.332 205 2HB ARG 31 HB1 ARG 31 9.338 -2.539 -2.646 206 1HG ARG 31 HG2 ARG 31 10.807 -0.879 -2.200 207 2HG ARG 31 HG1 ARG 31 9.842 -0.567 -0.758 208 1HD ARG 31 HD2 ARG 31 11.731 -1.008 0.407 209 2HD ARG 31 HD1 ARG 31 11.425 -2.701 0.015 210 HE ARG 31 HE ARG 31 13.301 -2.609 -1.397 211 1HH1 ARG 31 HH21 ARG 31 12.809 0.457 -0.111 212 2HH1 ARG 31 HH22 ARG 31 13.647 1.309 -1.365 213 1HH2 ARG 31 HH11 ARG 31 14.026 -1.490 -3.378 214 2HH2 ARG 31 HH12 ARG 31 14.337 0.206 -3.215 215 H LYS 32 HN LYS 32 6.525 -4.182 -0.067 216 HA LYS 32 HA LYS 32 5.337 -4.337 -2.804 217 1HB LYS 32 HB2 LYS 32 6.147 -6.355 -0.993 218 2HB LYS 32 HB1 LYS 32 4.384 -6.390 -1.016 219 1HG LYS 32 HG2 LYS 32 6.134 -6.400 -3.491 220 2HG LYS 32 HG1 LYS 32 5.395 -7.837 -2.782 221 1HD LYS 32 HD2 LYS 32 3.317 -7.308 -3.555 222 2HD LYS 32 HD1 LYS 32 3.542 -5.582 -3.265 223 1HE LYS 32 HE2 LYS 32 3.522 -5.660 -5.598 224 2HE LYS 32 HE1 LYS 32 5.250 -5.758 -5.258 225 1HZ LYS 32 HZ1 LYS 32 3.798 -7.544 -6.715 226 2HZ LYS 32 HZ2 LYS 32 3.976 -8.318 -5.213 227 3HZ LYS 32 HZ3 LYS 32 5.347 -7.807 -6.077 228 H CYS 33 HN CYS 33 3.776 -2.735 -2.754 229 HA CYS 33 HA CYS 33 2.148 -2.190 -0.432 230 1HB CYS 33 HB2 CYS 33 2.329 -1.241 -3.221 231 2HB CYS 33 HB1 CYS 33 0.713 -1.164 -2.520 232 H LYS 34 HN LYS 34 0.212 -3.074 0.155 233 HA LYS 34 HA LYS 34 -1.156 -4.878 -1.791 234 1HB LYS 34 HB2 LYS 34 -0.851 -5.503 1.158 235 2HB LYS 34 HB1 LYS 34 -1.486 -6.559 -0.104 236 1HG LYS 34 HG2 LYS 34 0.670 -6.787 -1.123 237 2HG LYS 34 HG1 LYS 34 1.344 -5.488 -0.139 238 1HD LYS 34 HD2 LYS 34 2.015 -7.087 1.305 239 2HD LYS 34 HD1 LYS 34 0.315 -7.279 1.733 240 1HE LYS 34 HE2 LYS 34 1.527 -8.714 -0.632 241 2HE LYS 34 HE1 LYS 34 1.565 -9.401 0.992 242 1HZ LYS 34 HZ1 LYS 34 -0.790 -8.752 -0.672 243 2HZ LYS 34 HZ2 LYS 34 -0.919 -8.961 1.010 244 3HZ LYS 34 HZ3 LYS 34 -0.371 -10.238 0.032 245 H CYS 35 HN CYS 35 -2.804 -3.331 -2.142 246 HA CYS 35 HA CYS 35 -4.228 -2.258 0.221 247 1HB CYS 35 HB2 CYS 35 -5.367 -1.717 -2.451 248 2HB CYS 35 HB1 CYS 35 -5.004 -0.603 -1.137 249 H PHE 36 HN PHE 36 -5.781 -3.532 1.094 250 HA PHE 36 HA PHE 36 -7.081 -5.593 -0.575 251 1HB PHE 36 HB2 PHE 36 -7.006 -4.984 2.373 252 2HB PHE 36 HB1 PHE 36 -8.228 -6.074 1.718 253 HD1 PHE 36 HD1 PHE 36 -4.796 -5.734 2.750 254 HD2 PHE 36 HD2 PHE 36 -7.444 -8.054 0.291 255 HE1 PHE 36 HE1 PHE 36 -3.129 -7.568 2.687 256 HE2 PHE 36 HE2 PHE 36 -5.777 -9.889 0.226 257 HZ PHE 36 HZ PHE 36 -3.620 -9.646 1.425 258 H GLY 37 HN GLY 37 -8.291 -3.138 1.746 259 1HA GLY 37 HA2 GLY 37 -10.147 -1.700 1.547 260 2HA GLY 37 HA1 GLY 37 -10.232 -2.131 -0.162 261 H ARG 38 HN ARG 38 -11.195 -3.140 3.086 262 HA ARG 38 HA ARG 38 -13.721 -4.139 2.212 263 1HB ARG 38 HB2 ARG 38 -11.457 -6.054 2.196 264 2HB ARG 38 HB1 ARG 38 -12.926 -6.617 2.995 265 1HG ARG 38 HG2 ARG 38 -13.902 -5.412 0.705 266 2HG ARG 38 HG1 ARG 38 -12.413 -6.171 0.143 267 1HD ARG 38 HD2 ARG 38 -13.712 -8.016 1.883 268 2HD ARG 38 HD1 ARG 38 -14.919 -7.421 0.743 269 HE ARG 38 HE ARG 38 -13.593 -8.327 -1.069 270 1HH1 ARG 38 HH11 ARG 38 -11.328 -7.997 1.319 271 2HH1 ARG 38 HH12 ARG 38 -10.645 -9.582 1.167 272 1HH2 ARG 38 HH21 ARG 38 -13.132 -10.739 -0.954 273 2HH2 ARG 38 HH22 ARG 38 -11.668 -11.135 -0.116 Start of MODEL 5 1 1H THR 4 HT1 THR 4 6.186 -2.995 -6.452 2 2H THR 4 HT2 THR 4 6.628 -3.545 -7.998 3 3H THR 4 HT3 THR 4 5.083 -3.888 -7.380 4 HA THR 4 HA THR 4 5.722 -1.804 -9.006 5 HB THR 4 HB THR 4 3.397 -2.195 -7.106 6 HG1 THR 4 HG1 THR 4 3.555 -3.851 -8.563 7 1HG2 THR 4 HG21 THR 4 2.198 -0.570 -8.332 8 2HG2 THR 4 HG22 THR 4 3.381 -0.560 -9.640 9 3HG2 THR 4 HG23 THR 4 3.781 0.165 -8.083 10 H ILE 5 HN ILE 5 4.069 -0.737 -6.154 11 HA ILE 5 HA ILE 5 5.489 1.713 -6.004 12 HB ILE 5 HB ILE 5 4.071 0.389 -3.717 13 1HG1 ILE 5 HG12 ILE 5 2.608 0.277 -5.678 14 2HG1 ILE 5 HG11 ILE 5 2.023 1.525 -4.578 15 1HG2 ILE 5 HG21 ILE 5 4.765 3.211 -4.484 16 2HG2 ILE 5 HG22 ILE 5 5.115 2.366 -2.976 17 3HG2 ILE 5 HG23 ILE 5 3.465 2.869 -3.344 18 1HD1 ILE 5 HD11 ILE 5 3.824 2.066 -6.954 19 2HD1 ILE 5 HD12 ILE 5 3.065 3.267 -5.909 20 3HD1 ILE 5 HD13 ILE 5 2.072 2.268 -6.970 21 H SER 6 HN SER 6 6.713 2.400 -3.970 22 HA SER 6 HA SER 6 8.393 0.205 -2.857 23 1HB SER 6 HB2 SER 6 9.455 2.781 -4.064 24 2HB SER 6 HB1 SER 6 10.424 1.589 -3.203 25 HG SER 6 HG SER 6 9.644 0.059 -4.812 26 H CYS 7 HN CYS 7 7.283 0.519 -0.852 27 HA CYS 7 HA CYS 7 7.967 3.096 0.504 28 1HB CYS 7 HB2 CYS 7 5.772 2.837 1.735 29 2HB CYS 7 HB1 CYS 7 5.608 3.203 0.015 30 H THR 8 HN THR 8 7.274 2.644 3.015 31 HA THR 8 HA THR 8 8.317 -0.027 3.815 32 HB THR 8 HB THR 8 10.299 1.236 4.027 33 HG1 THR 8 HG1 THR 8 10.124 1.895 6.431 34 1HG2 THR 8 HG21 THR 8 10.369 3.533 4.842 35 2HG2 THR 8 HG22 THR 8 8.642 3.489 5.195 36 3HG2 THR 8 HG23 THR 8 9.203 3.420 3.524 37 H ASN 9 HN ASN 9 6.745 3.014 4.771 38 HA ASN 9 HA ASN 9 5.683 1.823 7.236 39 1HB ASN 9 HB2 ASN 9 6.282 4.348 6.706 40 2HB ASN 9 HB1 ASN 9 4.635 4.381 6.073 41 1HD2 ASN 9 HD21 ASN 9 5.925 5.525 8.658 42 2HD2 ASN 9 HD22 ASN 9 4.884 4.993 9.888 43 H GLU 10 HN GLU 10 3.458 1.334 7.576 44 HA GLU 10 HA GLU 10 2.087 0.158 5.360 45 1HB GLU 10 HB2 GLU 10 1.677 -0.632 7.612 46 2HB GLU 10 HB1 GLU 10 1.118 0.961 8.118 47 1HG GLU 10 HG2 GLU 10 -0.644 0.674 6.206 48 2HG GLU 10 HG1 GLU 10 -0.250 -1.040 6.338 49 H LYS 11 HN LYS 11 1.699 3.297 6.981 50 HA LYS 11 HA LYS 11 -0.669 4.074 5.549 51 1HB LYS 11 HB2 LYS 11 0.251 5.111 7.683 52 2HB LYS 11 HB1 LYS 11 1.433 5.940 6.670 53 1HG LYS 11 HG2 LYS 11 -0.884 6.484 5.325 54 2HG LYS 11 HG1 LYS 11 -1.458 6.448 6.993 55 1HD LYS 11 HD2 LYS 11 -0.053 8.204 7.654 56 2HD LYS 11 HD1 LYS 11 1.047 7.963 6.296 57 1HE LYS 11 HE2 LYS 11 -1.799 8.718 5.732 58 2HE LYS 11 HE1 LYS 11 -0.677 9.968 6.272 59 1HZ LYS 11 HZ1 LYS 11 0.756 8.648 4.410 60 2HZ LYS 11 HZ2 LYS 11 -0.113 10.081 4.131 61 3HZ LYS 11 HZ3 LYS 11 -0.806 8.576 3.755 62 H GLN 12 HN GLN 12 2.466 3.612 4.405 63 HA GLN 12 HA GLN 12 2.637 5.845 2.574 64 1HB GLN 12 HB2 GLN 12 4.094 3.272 2.961 65 2HB GLN 12 HB1 GLN 12 4.232 4.056 1.388 66 1HG GLN 12 HG2 GLN 12 4.540 6.167 3.146 67 2HG GLN 12 HG1 GLN 12 5.374 4.850 3.970 68 1HE2 GLN 12 HE21 GLN 12 5.059 5.536 0.445 69 2HE2 GLN 12 HE22 GLN 12 6.730 5.610 0.161 70 H CYS 13 HN CYS 13 0.480 3.303 2.606 71 HA CYS 13 HA CYS 13 0.155 3.514 -0.362 72 1HB CYS 13 HB2 CYS 13 -0.531 1.062 1.276 73 2HB CYS 13 HB1 CYS 13 -0.499 1.207 -0.481 74 H TYR 14 HN TYR 14 -1.111 4.854 2.108 75 HA TYR 14 HA TYR 14 -3.846 3.900 2.171 76 1HB TYR 14 HB2 TYR 14 -2.294 6.099 3.372 77 2HB TYR 14 HB1 TYR 14 -3.988 6.490 3.065 78 HD1 TYR 14 HD1 TYR 14 -2.229 3.328 4.060 79 HD2 TYR 14 HD2 TYR 14 -5.225 6.249 5.031 80 HE1 TYR 14 HE1 TYR 14 -2.889 1.991 6.042 81 HE2 TYR 14 HE2 TYR 14 -5.886 4.912 7.014 82 HH TYR 14 HH TYR 14 -4.002 2.246 8.145 83 HA PRO 15 HA PRO 15 -4.665 7.624 -0.717 84 1HB PRO 15 HB2 PRO 15 -2.482 8.961 -1.715 85 2HB PRO 15 HB1 PRO 15 -3.294 9.404 -0.203 86 1HG PRO 15 HG2 PRO 15 -0.683 8.015 -0.596 87 2HG PRO 15 HG1 PRO 15 -1.227 9.022 0.757 88 1HD PRO 15 HD2 PRO 15 -1.123 6.199 0.734 89 2HD PRO 15 HD1 PRO 15 -1.975 7.199 1.928 90 H HIS 16 HN HIS 16 -1.635 5.922 -1.503 91 HA HIS 16 HA HIS 16 -2.041 5.910 -4.344 92 1HB HIS 16 HB2 HIS 16 0.127 5.307 -4.025 93 2HB HIS 16 HB1 HIS 16 -0.191 4.690 -2.409 94 HD1 HIS 16 HD1 HIS 16 -0.085 3.638 -6.018 95 HD2 HIS 16 HD2 HIS 16 -0.753 1.909 -2.286 96 HE1 HIS 16 HE1 HIS 16 -0.054 1.130 -6.376 97 H CYS 17 HN CYS 17 -3.150 3.783 -1.742 98 HA CYS 17 HA CYS 17 -4.108 1.716 -3.545 99 1HB CYS 17 HB2 CYS 17 -4.340 2.296 -0.630 100 2HB CYS 17 HB1 CYS 17 -5.566 1.252 -1.347 101 H LYS 18 HN LYS 18 -5.710 4.379 -1.764 102 HA LYS 18 HA LYS 18 -8.345 3.825 -2.682 103 1HB LYS 18 HB2 LYS 18 -7.948 5.422 -0.885 104 2HB LYS 18 HB1 LYS 18 -7.059 6.479 -1.983 105 1HG LYS 18 HG2 LYS 18 -9.139 6.653 -3.389 106 2HG LYS 18 HG1 LYS 18 -10.000 5.764 -2.133 107 1HD LYS 18 HD2 LYS 18 -8.676 7.748 -0.714 108 2HD LYS 18 HD1 LYS 18 -9.186 8.572 -2.188 109 1HE LYS 18 HE2 LYS 18 -11.237 8.745 -1.268 110 2HE LYS 18 HE1 LYS 18 -11.385 6.997 -1.458 111 1HZ LYS 18 HZ1 LYS 18 -9.963 7.066 0.749 112 2HZ LYS 18 HZ2 LYS 18 -11.660 7.142 0.769 113 3HZ LYS 18 HZ3 LYS 18 -10.741 8.564 0.920 114 H LYS 19 HN LYS 19 -5.654 5.453 -4.259 115 HA LYS 19 HA LYS 19 -7.321 6.531 -6.405 116 1HB LYS 19 HB2 LYS 19 -4.336 6.326 -5.986 117 2HB LYS 19 HB1 LYS 19 -5.041 6.985 -7.463 118 1HG LYS 19 HG2 LYS 19 -6.344 8.150 -5.173 119 2HG LYS 19 HG1 LYS 19 -4.597 8.344 -5.020 120 1HD LYS 19 HD2 LYS 19 -4.447 9.695 -6.871 121 2HD LYS 19 HD1 LYS 19 -5.773 8.878 -7.703 122 1HE LYS 19 HE2 LYS 19 -6.467 11.139 -7.068 123 2HE LYS 19 HE1 LYS 19 -7.382 9.951 -6.139 124 1HZ LYS 19 HZ1 LYS 19 -6.214 11.974 -4.981 125 2HZ LYS 19 HZ2 LYS 19 -4.865 10.944 -5.021 126 3HZ LYS 19 HZ3 LYS 19 -6.286 10.457 -4.228 127 H GLU 20 HN GLU 20 -5.354 3.643 -5.909 128 HA GLU 20 HA GLU 20 -5.490 2.872 -8.723 129 1HB GLU 20 HB2 GLU 20 -3.691 2.221 -6.956 130 2HB GLU 20 HB1 GLU 20 -4.844 0.973 -6.478 131 1HG GLU 20 HG2 GLU 20 -4.646 -0.172 -8.475 132 2HG GLU 20 HG1 GLU 20 -4.253 1.284 -9.392 133 H THR 21 HN THR 21 -7.466 2.364 -5.884 134 HA THR 21 HA THR 21 -9.382 0.878 -7.588 135 HB THR 21 HB THR 21 -7.925 -0.787 -6.348 136 HG1 THR 21 HG1 THR 21 -9.690 -1.853 -6.656 137 1HG2 THR 21 HG21 THR 21 -7.877 0.764 -4.279 138 2HG2 THR 21 HG22 THR 21 -8.048 -0.969 -3.999 139 3HG2 THR 21 HG23 THR 21 -9.460 0.084 -3.905 140 H GLY 22 HN GLY 22 -8.731 2.421 -4.448 141 1HA GLY 22 HA2 GLY 22 -10.400 4.303 -3.981 142 2HA GLY 22 HA1 GLY 22 -11.643 3.099 -4.315 143 H TYR 23 HN TYR 23 -8.863 1.892 -2.684 144 HA TYR 23 HA TYR 23 -10.398 1.944 -0.121 145 1HB TYR 23 HB2 TYR 23 -9.011 -0.222 -1.559 146 2HB TYR 23 HB1 TYR 23 -8.641 -0.140 0.163 147 HD1 TYR 23 HD1 TYR 23 -11.545 -0.034 -2.204 148 HD2 TYR 23 HD2 TYR 23 -10.121 -1.078 1.711 149 HE1 TYR 23 HE1 TYR 23 -13.743 -1.056 -1.677 150 HE2 TYR 23 HE2 TYR 23 -12.317 -2.100 2.239 151 HH TYR 23 HH TYR 23 -15.074 -1.711 0.154 152 HA PRO 24 HA PRO 24 -6.805 4.120 1.337 153 1HB PRO 24 HB2 PRO 24 -7.672 4.368 3.932 154 2HB PRO 24 HB1 PRO 24 -8.265 5.382 2.605 155 1HG PRO 24 HG2 PRO 24 -9.636 3.137 4.006 156 2HG PRO 24 HG1 PRO 24 -10.337 4.523 3.156 157 1HD PRO 24 HD2 PRO 24 -10.115 1.880 2.146 158 2HD PRO 24 HD1 PRO 24 -10.543 3.329 1.213 159 H ASN 25 HN ASN 25 -8.187 1.623 3.507 160 HA ASN 25 HA ASN 25 -5.966 0.976 5.034 161 1HB ASN 25 HB2 ASN 25 -7.878 -1.030 3.798 162 2HB ASN 25 HB1 ASN 25 -6.890 -1.286 5.237 163 1HD2 ASN 25 HD21 ASN 25 -7.586 1.815 5.738 164 2HD2 ASN 25 HD22 ASN 25 -9.088 1.701 6.518 165 H ALA 26 HN ALA 26 -3.914 0.759 4.249 166 HA ALA 26 HA ALA 26 -3.418 -1.369 2.261 167 1HB ALA 26 HB1 ALA 26 -2.184 0.021 0.745 168 2HB ALA 26 HB2 ALA 26 -2.284 1.405 1.834 169 3HB ALA 26 HB3 ALA 26 -3.732 0.823 1.011 170 H LYS 27 HN LYS 27 -1.290 -2.209 2.418 171 HA LYS 27 HA LYS 27 0.431 -1.008 4.544 172 1HB LYS 27 HB2 LYS 27 0.991 -3.338 5.266 173 2HB LYS 27 HB1 LYS 27 -0.703 -2.924 5.537 174 1HG LYS 27 HG2 LYS 27 -1.086 -4.899 4.458 175 2HG LYS 27 HG1 LYS 27 -0.841 -3.921 3.010 176 1HD LYS 27 HD2 LYS 27 0.781 -5.434 2.518 177 2HD LYS 27 HD1 LYS 27 1.742 -4.537 3.694 178 1HE LYS 27 HE2 LYS 27 0.382 -6.163 5.373 179 2HE LYS 27 HE1 LYS 27 0.443 -7.198 3.945 180 1HZ LYS 27 HZ1 LYS 27 2.874 -6.713 3.864 181 2HZ LYS 27 HZ2 LYS 27 2.381 -7.621 5.212 182 3HZ LYS 27 HZ3 LYS 27 2.727 -5.966 5.379 183 H CYS 28 HN CYS 28 2.731 -1.702 4.337 184 HA CYS 28 HA CYS 28 3.436 -2.052 1.462 185 1HB CYS 28 HB2 CYS 28 5.050 -1.059 3.830 186 2HB CYS 28 HB1 CYS 28 5.703 -1.266 2.205 187 H MET 29 HN MET 29 3.860 -4.139 0.921 188 HA MET 29 HA MET 29 5.184 -5.881 2.962 189 1HB MET 29 HB2 MET 29 2.891 -6.526 1.952 190 2HB MET 29 HB1 MET 29 3.787 -6.860 0.470 191 1HG MET 29 HG2 MET 29 5.279 -8.088 2.504 192 2HG MET 29 HG1 MET 29 3.597 -8.454 2.890 193 1HE MET 29 HE1 MET 29 6.221 -10.714 1.083 194 2HE MET 29 HE2 MET 29 6.539 -9.002 1.349 195 3HE MET 29 HE3 MET 29 6.374 -9.616 -0.294 196 H ASN 30 HN ASN 30 7.347 -6.066 2.574 197 HA ASN 30 HA ASN 30 9.381 -6.109 1.391 198 1HB ASN 30 HB2 ASN 30 8.459 -8.295 0.704 199 2HB ASN 30 HB1 ASN 30 7.603 -7.517 -0.627 200 1HD2 ASN 30 HD21 ASN 30 8.709 -7.943 -2.540 201 2HD2 ASN 30 HD22 ASN 30 10.397 -7.906 -2.720 202 H ARG 31 HN ARG 31 8.325 -3.645 1.206 203 HA ARG 31 HA ARG 31 8.238 -1.709 -0.117 204 1HB ARG 31 HB2 ARG 31 10.248 -3.478 -1.453 205 2HB ARG 31 HB1 ARG 31 9.718 -2.027 -2.306 206 1HG ARG 31 HG2 ARG 31 10.179 -1.281 0.396 207 2HG ARG 31 HG1 ARG 31 11.571 -2.232 -0.122 208 1HD ARG 31 HD2 ARG 31 11.769 -0.802 -2.144 209 2HD ARG 31 HD1 ARG 31 10.419 0.174 -1.564 210 HE ARG 31 HE ARG 31 12.779 -0.102 0.213 211 1HH1 ARG 31 HH11 ARG 31 13.374 1.641 -2.168 212 2HH1 ARG 31 HH12 ARG 31 12.911 3.206 -1.588 213 1HH2 ARG 31 HH21 ARG 31 11.070 1.966 1.075 214 2HH2 ARG 31 HH22 ARG 31 11.610 3.390 0.249 215 H LYS 32 HN LYS 32 6.156 -3.697 -0.469 216 HA LYS 32 HA LYS 32 5.392 -3.047 -3.283 217 1HB LYS 32 HB2 LYS 32 6.076 -5.542 -2.663 218 2HB LYS 32 HB1 LYS 32 4.432 -5.590 -2.027 219 1HG LYS 32 HG2 LYS 32 3.700 -5.943 -4.125 220 2HG LYS 32 HG1 LYS 32 4.230 -4.309 -4.525 221 1HD LYS 32 HD2 LYS 32 5.758 -5.203 -5.914 222 2HD LYS 32 HD1 LYS 32 6.568 -5.889 -4.504 223 1HE LYS 32 HE2 LYS 32 4.169 -7.358 -5.437 224 2HE LYS 32 HE1 LYS 32 5.558 -7.399 -6.524 225 1HZ LYS 32 HZ1 LYS 32 6.729 -7.829 -4.165 226 2HZ LYS 32 HZ2 LYS 32 6.199 -9.070 -5.196 227 3HZ LYS 32 HZ3 LYS 32 5.228 -8.571 -3.894 228 H CYS 33 HN CYS 33 3.990 -1.368 -2.668 229 HA CYS 33 HA CYS 33 2.304 -1.156 -0.492 230 1HB CYS 33 HB2 CYS 33 2.137 -0.236 -3.315 231 2HB CYS 33 HB1 CYS 33 0.638 -0.183 -2.387 232 H LYS 34 HN LYS 34 0.102 -1.789 -0.067 233 HA LYS 34 HA LYS 34 -1.039 -3.900 -1.807 234 1HB LYS 34 HB2 LYS 34 0.173 -4.338 0.843 235 2HB LYS 34 HB1 LYS 34 -1.457 -4.992 0.681 236 1HG LYS 34 HG2 LYS 34 -0.237 -5.684 -1.721 237 2HG LYS 34 HG1 LYS 34 1.037 -5.920 -0.526 238 1HD LYS 34 HD2 LYS 34 -0.306 -7.429 0.751 239 2HD LYS 34 HD1 LYS 34 -1.762 -7.000 -0.146 240 1HE LYS 34 HE2 LYS 34 0.504 -8.019 -1.770 241 2HE LYS 34 HE1 LYS 34 -0.274 -9.193 -0.709 242 1HZ LYS 34 HZ1 LYS 34 -1.291 -9.042 -2.940 243 2HZ LYS 34 HZ2 LYS 34 -1.732 -7.436 -2.604 244 3HZ LYS 34 HZ3 LYS 34 -2.382 -8.708 -1.685 245 H CYS 35 HN CYS 35 -3.266 -3.789 -1.834 246 HA CYS 35 HA CYS 35 -4.511 -1.850 0.067 247 1HB CYS 35 HB2 CYS 35 -5.697 -2.822 -2.542 248 2HB CYS 35 HB1 CYS 35 -6.158 -1.402 -1.602 249 H PHE 36 HN PHE 36 -5.621 -2.829 1.680 250 HA PHE 36 HA PHE 36 -6.259 -5.606 1.742 251 1HB PHE 36 HB2 PHE 36 -7.138 -3.217 3.341 252 2HB PHE 36 HB1 PHE 36 -7.925 -4.775 3.590 253 HD1 PHE 36 HD1 PHE 36 -5.093 -2.751 4.402 254 HD2 PHE 36 HD2 PHE 36 -6.380 -6.827 3.986 255 HE1 PHE 36 HE1 PHE 36 -3.183 -3.495 5.797 256 HE2 PHE 36 HE2 PHE 36 -4.469 -7.571 5.382 257 HZ PHE 36 HZ PHE 36 -2.870 -5.905 6.287 258 H GLY 37 HN GLY 37 -8.002 -2.843 0.483 259 1HA GLY 37 HA2 GLY 37 -10.634 -3.813 0.403 260 2HA GLY 37 HA1 GLY 37 -9.942 -2.774 -0.844 261 H ARG 38 HN ARG 38 -7.844 -4.813 -1.459 262 HA ARG 38 HA ARG 38 -9.278 -6.219 -3.526 263 1HB ARG 38 HB2 ARG 38 -6.624 -5.622 -3.033 264 2HB ARG 38 HB1 ARG 38 -6.682 -7.366 -2.771 265 1HG ARG 38 HG2 ARG 38 -6.236 -7.052 -5.105 266 2HG ARG 38 HG1 ARG 38 -7.929 -7.536 -4.984 267 1HD ARG 38 HD2 ARG 38 -8.649 -5.570 -5.826 268 2HD ARG 38 HD1 ARG 38 -7.597 -4.645 -4.754 269 HE ARG 38 HE ARG 38 -6.841 -5.662 -7.447 270 1HH1 ARG 38 HH21 ARG 38 -5.159 -5.026 -4.686 271 2HH1 ARG 38 HH22 ARG 38 -4.262 -3.677 -5.297 272 1HH2 ARG 38 HH11 ARG 38 -6.128 -3.417 -8.208 273 2HH2 ARG 38 HH12 ARG 38 -4.812 -2.764 -7.293 Start of MODEL 6 1 1H THR 4 HT1 THR 4 4.779 -3.541 -5.895 2 2H THR 4 HT2 THR 4 5.144 -4.099 -7.457 3 3H THR 4 HT3 THR 4 3.615 -4.398 -6.781 4 HA THR 4 HA THR 4 3.780 -2.544 -8.490 5 HB THR 4 HB THR 4 2.680 -1.531 -5.894 6 HG1 THR 4 HG1 THR 4 1.098 -3.085 -5.933 7 1HG2 THR 4 HG21 THR 4 1.843 -1.664 -8.785 8 2HG2 THR 4 HG22 THR 4 2.036 -0.242 -7.761 9 3HG2 THR 4 HG23 THR 4 0.665 -1.324 -7.519 10 H ILE 5 HN ILE 5 3.472 -0.012 -6.647 11 HA ILE 5 HA ILE 5 5.892 1.232 -7.347 12 HB ILE 5 HB ILE 5 5.148 3.010 -5.888 13 1HG1 ILE 5 HG12 ILE 5 2.848 1.509 -4.791 14 2HG1 ILE 5 HG11 ILE 5 4.422 1.047 -4.142 15 1HG2 ILE 5 HG21 ILE 5 2.486 2.620 -6.506 16 2HG2 ILE 5 HG22 ILE 5 3.316 1.593 -7.675 17 3HG2 ILE 5 HG23 ILE 5 3.691 3.314 -7.591 18 1HD1 ILE 5 HD11 ILE 5 3.275 2.914 -2.875 19 2HD1 ILE 5 HD12 ILE 5 3.471 3.917 -4.312 20 3HD1 ILE 5 HD13 ILE 5 4.891 3.311 -3.460 21 H SER 6 HN SER 6 6.823 2.444 -5.006 22 HA SER 6 HA SER 6 7.931 0.133 -3.462 23 1HB SER 6 HB2 SER 6 10.021 1.622 -3.263 24 2HB SER 6 HB1 SER 6 9.736 0.864 -4.827 25 HG SER 6 HG SER 6 9.060 3.511 -4.044 26 H CYS 7 HN CYS 7 6.620 0.410 -1.642 27 HA CYS 7 HA CYS 7 6.560 3.114 -0.397 28 1HB CYS 7 HB2 CYS 7 4.739 2.199 0.997 29 2HB CYS 7 HB1 CYS 7 4.387 1.990 -0.718 30 H THR 8 HN THR 8 7.369 3.447 1.684 31 HA THR 8 HA THR 8 8.899 1.154 2.847 32 HB THR 8 HB THR 8 10.413 2.899 2.069 33 HG1 THR 8 HG1 THR 8 11.089 3.632 4.308 34 1HG2 THR 8 HG21 THR 8 10.097 5.163 3.444 35 2HG2 THR 8 HG22 THR 8 8.411 4.649 3.425 36 3HG2 THR 8 HG23 THR 8 9.273 4.897 1.907 37 H ASN 9 HN ASN 9 6.066 2.362 3.260 38 HA ASN 9 HA ASN 9 6.056 2.001 6.158 39 1HB ASN 9 HB2 ASN 9 6.487 4.593 5.269 40 2HB ASN 9 HB1 ASN 9 4.742 4.545 5.529 41 1HD2 ASN 9 HD21 ASN 9 4.043 4.757 7.672 42 2HD2 ASN 9 HD22 ASN 9 5.046 4.606 9.033 43 H GLU 10 HN GLU 10 3.787 1.987 6.979 44 HA GLU 10 HA GLU 10 2.023 0.647 5.160 45 1HB GLU 10 HB2 GLU 10 2.149 1.006 7.907 46 2HB GLU 10 HB1 GLU 10 0.700 1.902 7.452 47 1HG GLU 10 HG2 GLU 10 -0.298 -0.144 7.566 48 2HG GLU 10 HG1 GLU 10 0.385 -0.349 5.953 49 H LYS 11 HN LYS 11 1.856 3.934 6.572 50 HA LYS 11 HA LYS 11 -0.477 4.718 5.112 51 1HB LYS 11 HB2 LYS 11 0.367 5.905 7.124 52 2HB LYS 11 HB1 LYS 11 1.745 6.479 6.184 53 1HG LYS 11 HG2 LYS 11 0.371 7.797 4.767 54 2HG LYS 11 HG1 LYS 11 -1.096 6.974 5.293 55 1HD LYS 11 HD2 LYS 11 -0.422 7.880 7.666 56 2HD LYS 11 HD1 LYS 11 0.533 9.040 6.741 57 1HE LYS 11 HE2 LYS 11 -2.426 8.533 6.314 58 2HE LYS 11 HE1 LYS 11 -1.768 9.874 7.254 59 1HZ LYS 11 HZ1 LYS 11 -0.419 10.340 5.135 60 2HZ LYS 11 HZ2 LYS 11 -2.059 10.783 5.166 61 3HZ LYS 11 HZ3 LYS 11 -1.573 9.372 4.356 62 H GLN 12 HN GLN 12 2.642 4.099 3.949 63 HA GLN 12 HA GLN 12 2.871 6.190 1.988 64 1HB GLN 12 HB2 GLN 12 4.177 3.597 2.521 65 2HB GLN 12 HB1 GLN 12 4.177 4.089 0.829 66 1HG GLN 12 HG2 GLN 12 4.880 6.153 2.870 67 2HG GLN 12 HG1 GLN 12 6.078 4.906 2.520 68 1HE2 GLN 12 HE21 GLN 12 7.440 5.411 0.804 69 2HE2 GLN 12 HE22 GLN 12 7.050 6.455 -0.477 70 H CYS 13 HN CYS 13 1.385 2.951 1.877 71 HA CYS 13 HA CYS 13 0.485 3.488 -0.896 72 1HB CYS 13 HB2 CYS 13 0.043 1.032 0.830 73 2HB CYS 13 HB1 CYS 13 -0.277 1.167 -0.899 74 H TYR 14 HN TYR 14 -0.573 4.503 1.974 75 HA TYR 14 HA TYR 14 -3.317 3.662 2.046 76 1HB TYR 14 HB2 TYR 14 -1.654 5.701 3.369 77 2HB TYR 14 HB1 TYR 14 -3.352 6.150 3.200 78 HD1 TYR 14 HD1 TYR 14 -4.672 5.596 5.031 79 HD2 TYR 14 HD2 TYR 14 -1.425 3.006 3.939 80 HE1 TYR 14 HE1 TYR 14 -5.253 4.078 6.904 81 HE2 TYR 14 HE2 TYR 14 -2.006 1.487 5.813 82 HH TYR 14 HH TYR 14 -3.704 2.254 8.340 83 HA PRO 15 HA PRO 15 -4.232 7.663 -0.401 84 1HB PRO 15 HB2 PRO 15 -2.090 9.064 -1.395 85 2HB PRO 15 HB1 PRO 15 -2.788 9.354 0.208 86 1HG PRO 15 HG2 PRO 15 -0.239 7.979 -0.508 87 2HG PRO 15 HG1 PRO 15 -0.674 8.832 0.982 88 1HD PRO 15 HD2 PRO 15 -0.635 6.027 0.619 89 2HD PRO 15 HD1 PRO 15 -1.361 6.895 1.988 90 H HIS 16 HN HIS 16 -1.304 5.998 -1.558 91 HA HIS 16 HA HIS 16 -1.852 6.324 -4.350 92 1HB HIS 16 HB2 HIS 16 0.304 5.632 -4.215 93 2HB HIS 16 HB1 HIS 16 0.045 4.845 -2.664 94 HD1 HIS 16 HD1 HIS 16 0.346 4.170 -6.286 95 HD2 HIS 16 HD2 HIS 16 -0.960 2.119 -2.902 96 HE1 HIS 16 HE1 HIS 16 0.206 1.726 -6.940 97 H CYS 17 HN CYS 17 -2.438 3.507 -2.190 98 HA CYS 17 HA CYS 17 -3.865 2.025 -4.205 99 1HB CYS 17 HB2 CYS 17 -3.410 1.781 -1.287 100 2HB CYS 17 HB1 CYS 17 -4.874 1.017 -1.897 101 H LYS 18 HN LYS 18 -4.901 4.297 -1.678 102 HA LYS 18 HA LYS 18 -7.677 3.914 -1.788 103 1HB LYS 18 HB2 LYS 18 -6.446 5.539 -0.296 104 2HB LYS 18 HB1 LYS 18 -6.317 6.620 -1.683 105 1HG LYS 18 HG2 LYS 18 -8.831 6.507 -1.899 106 2HG LYS 18 HG1 LYS 18 -8.861 5.636 -0.366 107 1HD LYS 18 HD2 LYS 18 -9.241 8.059 -0.029 108 2HD LYS 18 HD1 LYS 18 -7.746 7.530 0.744 109 1HE LYS 18 HE2 LYS 18 -6.523 8.928 -0.530 110 2HE LYS 18 HE1 LYS 18 -7.241 8.281 -2.005 111 1HZ LYS 18 HZ1 LYS 18 -7.701 10.649 -1.716 112 2HZ LYS 18 HZ2 LYS 18 -8.493 10.323 -0.249 113 3HZ LYS 18 HZ3 LYS 18 -9.127 9.731 -1.710 114 H LYS 19 HN LYS 19 -5.596 5.768 -3.991 115 HA LYS 19 HA LYS 19 -7.864 6.578 -5.656 116 1HB LYS 19 HB2 LYS 19 -4.968 7.096 -5.553 117 2HB LYS 19 HB1 LYS 19 -5.619 6.996 -7.189 118 1HG LYS 19 HG2 LYS 19 -7.492 8.562 -6.320 119 2HG LYS 19 HG1 LYS 19 -6.402 8.882 -4.971 120 1HD LYS 19 HD2 LYS 19 -5.468 10.455 -6.301 121 2HD LYS 19 HD1 LYS 19 -4.741 9.106 -7.175 122 1HE LYS 19 HE2 LYS 19 -6.415 9.120 -8.835 123 2HE LYS 19 HE1 LYS 19 -7.526 10.053 -7.832 124 1HZ LYS 19 HZ1 LYS 19 -6.579 11.474 -9.490 125 2HZ LYS 19 HZ2 LYS 19 -5.000 11.021 -9.055 126 3HZ LYS 19 HZ3 LYS 19 -5.956 11.925 -7.978 127 H GLU 20 HN GLU 20 -5.661 3.891 -5.513 128 HA GLU 20 HA GLU 20 -5.907 3.064 -8.267 129 1HB GLU 20 HB2 GLU 20 -4.075 2.212 -6.941 130 2HB GLU 20 HB1 GLU 20 -5.188 1.534 -5.751 131 1HG GLU 20 HG2 GLU 20 -4.383 -0.231 -7.256 132 2HG GLU 20 HG1 GLU 20 -6.111 0.029 -7.494 133 H THR 21 HN THR 21 -7.379 1.643 -5.318 134 HA THR 21 HA THR 21 -9.557 0.602 -7.071 135 HB THR 21 HB THR 21 -8.355 -1.124 -5.812 136 HG1 THR 21 HG1 THR 21 -10.858 -0.642 -4.583 137 1HG2 THR 21 HG21 THR 21 -9.184 -0.604 -3.150 138 2HG2 THR 21 HG22 THR 21 -8.440 0.878 -3.751 139 3HG2 THR 21 HG23 THR 21 -7.537 -0.636 -3.777 140 H GLY 22 HN GLY 22 -8.882 2.770 -4.437 141 1HA GLY 22 HA2 GLY 22 -10.592 4.551 -4.069 142 2HA GLY 22 HA1 GLY 22 -11.820 3.295 -4.218 143 H TYR 23 HN TYR 23 -9.835 1.515 -2.630 144 HA TYR 23 HA TYR 23 -10.857 2.373 0.019 145 1HB TYR 23 HB2 TYR 23 -9.500 -0.203 -0.830 146 2HB TYR 23 HB1 TYR 23 -10.207 0.108 0.754 147 HD1 TYR 23 HD1 TYR 23 -11.080 0.121 -2.890 148 HD2 TYR 23 HD2 TYR 23 -12.456 -0.403 1.143 149 HE1 TYR 23 HE1 TYR 23 -13.297 -0.592 -3.740 150 HE2 TYR 23 HE2 TYR 23 -14.675 -1.115 0.295 151 HH TYR 23 HH TYR 23 -15.787 -0.535 -2.654 152 HA PRO 24 HA PRO 24 -6.774 3.804 1.015 153 1HB PRO 24 HB2 PRO 24 -7.310 4.387 3.649 154 2HB PRO 24 HB1 PRO 24 -7.804 5.422 2.298 155 1HG PRO 24 HG2 PRO 24 -9.472 3.620 3.985 156 2HG PRO 24 HG1 PRO 24 -9.947 5.065 3.078 157 1HD PRO 24 HD2 PRO 24 -10.376 2.373 2.283 158 2HD PRO 24 HD1 PRO 24 -10.585 3.816 1.267 159 H ASN 25 HN ASN 25 -8.469 1.239 2.694 160 HA ASN 25 HA ASN 25 -6.551 0.370 4.555 161 1HB ASN 25 HB2 ASN 25 -8.756 -0.883 3.042 162 2HB ASN 25 HB1 ASN 25 -7.503 -2.004 3.574 163 1HD2 ASN 25 HD21 ASN 25 -9.402 -2.772 5.026 164 2HD2 ASN 25 HD22 ASN 25 -9.595 -1.988 6.519 165 H ALA 26 HN ALA 26 -4.427 0.676 3.711 166 HA ALA 26 HA ALA 26 -3.634 -1.394 1.712 167 1HB ALA 26 HB1 ALA 26 -1.922 0.411 0.937 168 2HB ALA 26 HB2 ALA 26 -3.025 1.556 1.698 169 3HB ALA 26 HB3 ALA 26 -3.588 0.539 0.373 170 H LYS 27 HN LYS 27 -2.147 -2.694 2.660 171 HA LYS 27 HA LYS 27 -0.515 -1.602 4.898 172 1HB LYS 27 HB2 LYS 27 -0.900 -4.471 3.985 173 2HB LYS 27 HB1 LYS 27 -0.034 -3.953 5.432 174 1HG LYS 27 HG2 LYS 27 -1.952 -3.793 6.598 175 2HG LYS 27 HG1 LYS 27 -2.675 -2.767 5.357 176 1HD LYS 27 HD2 LYS 27 -3.200 -4.798 4.020 177 2HD LYS 27 HD1 LYS 27 -2.548 -5.796 5.321 178 1HE LYS 27 HE2 LYS 27 -4.226 -4.900 6.875 179 2HE LYS 27 HE1 LYS 27 -4.866 -3.859 5.603 180 1HZ LYS 27 HZ1 LYS 27 -6.250 -5.638 5.410 181 2HZ LYS 27 HZ2 LYS 27 -5.083 -6.762 5.923 182 3HZ LYS 27 HZ3 LYS 27 -5.027 -6.135 4.345 183 H CYS 28 HN CYS 28 1.604 -1.134 4.529 184 HA CYS 28 HA CYS 28 2.761 -1.877 1.911 185 1HB CYS 28 HB2 CYS 28 3.031 0.439 2.590 186 2HB CYS 28 HB1 CYS 28 3.742 -0.054 4.126 187 H MET 29 HN MET 29 3.751 -3.837 1.852 188 HA MET 29 HA MET 29 5.463 -4.585 4.184 189 1HB MET 29 HB2 MET 29 3.229 -5.939 3.535 190 2HB MET 29 HB1 MET 29 4.361 -6.733 2.440 191 1HG MET 29 HG2 MET 29 5.797 -7.376 4.250 192 2HG MET 29 HG1 MET 29 4.925 -6.348 5.388 193 1HE MET 29 HE1 MET 29 4.142 -10.445 3.816 194 2HE MET 29 HE2 MET 29 5.306 -10.119 5.097 195 3HE MET 29 HE3 MET 29 5.452 -9.288 3.550 196 H ASN 30 HN ASN 30 7.563 -4.899 3.655 197 HA ASN 30 HA ASN 30 9.489 -4.935 2.305 198 1HB ASN 30 HB2 ASN 30 7.740 -7.011 0.960 199 2HB ASN 30 HB1 ASN 30 9.469 -6.821 0.664 200 1HD2 ASN 30 HD21 ASN 30 10.123 -8.829 1.639 201 2HD2 ASN 30 HD22 ASN 30 9.957 -9.132 3.301 202 H ARG 31 HN ARG 31 8.751 -2.686 1.543 203 HA ARG 31 HA ARG 31 8.217 -1.169 -0.198 204 1HB ARG 31 HB2 ARG 31 9.777 -2.944 -2.029 205 2HB ARG 31 HB1 ARG 31 9.898 -1.201 -1.785 206 1HG ARG 31 HG2 ARG 31 11.763 -1.731 -0.589 207 2HG ARG 31 HG1 ARG 31 10.613 -2.131 0.687 208 1HD ARG 31 HD2 ARG 31 10.809 -4.411 0.342 209 2HD ARG 31 HD1 ARG 31 11.220 -4.223 -1.363 210 HE ARG 31 HE ARG 31 13.144 -3.667 0.861 211 1HH1 ARG 31 HH11 ARG 31 13.038 -3.115 -2.355 212 2HH1 ARG 31 HH12 ARG 31 14.339 -4.167 -2.803 213 1HH2 ARG 31 HH21 ARG 31 14.523 -5.697 0.306 214 2HH2 ARG 31 HH22 ARG 31 15.183 -5.628 -1.295 215 H LYS 32 HN LYS 32 6.140 -3.123 0.054 216 HA LYS 32 HA LYS 32 5.288 -3.244 -2.802 217 1HB LYS 32 HB2 LYS 32 4.937 -5.473 -0.773 218 2HB LYS 32 HB1 LYS 32 4.313 -5.474 -2.423 219 1HG LYS 32 HG2 LYS 32 7.113 -4.832 -2.481 220 2HG LYS 32 HG1 LYS 32 6.878 -6.309 -1.545 221 1HD LYS 32 HD2 LYS 32 6.028 -7.483 -3.342 222 2HD LYS 32 HD1 LYS 32 5.372 -6.036 -4.109 223 1HE LYS 32 HE2 LYS 32 8.283 -5.942 -3.885 224 2HE LYS 32 HE1 LYS 32 7.729 -7.328 -4.826 225 1HZ LYS 32 HZ1 LYS 32 7.813 -4.623 -5.579 226 2HZ LYS 32 HZ2 LYS 32 6.192 -5.131 -5.578 227 3HZ LYS 32 HZ3 LYS 32 7.345 -5.965 -6.505 228 H CYS 33 HN CYS 33 3.320 -2.282 -3.035 229 HA CYS 33 HA CYS 33 1.836 -1.431 -0.677 230 1HB CYS 33 HB2 CYS 33 1.341 -1.213 -3.651 231 2HB CYS 33 HB1 CYS 33 0.149 -0.677 -2.469 232 H LYS 34 HN LYS 34 1.299 -3.472 0.303 233 HA LYS 34 HA LYS 34 -0.417 -5.327 -1.226 234 1HB LYS 34 HB2 LYS 34 0.607 -5.391 1.630 235 2HB LYS 34 HB1 LYS 34 -0.364 -6.664 0.890 236 1HG LYS 34 HG2 LYS 34 2.077 -5.768 -0.576 237 2HG LYS 34 HG1 LYS 34 2.309 -6.755 0.867 238 1HD LYS 34 HD2 LYS 34 0.358 -7.545 -1.297 239 2HD LYS 34 HD1 LYS 34 2.057 -8.009 -1.366 240 1HE LYS 34 HE2 LYS 34 1.548 -8.756 1.156 241 2HE LYS 34 HE1 LYS 34 -0.081 -8.918 0.503 242 1HZ LYS 34 HZ1 LYS 34 2.392 -10.262 -0.417 243 2HZ LYS 34 HZ2 LYS 34 0.976 -10.216 -1.357 244 3HZ LYS 34 HZ3 LYS 34 0.967 -10.978 0.162 245 H CYS 35 HN CYS 35 -2.181 -3.772 -1.507 246 HA CYS 35 HA CYS 35 -3.674 -3.125 0.988 247 1HB CYS 35 HB2 CYS 35 -4.560 -2.144 -1.696 248 2HB CYS 35 HB1 CYS 35 -4.616 -1.333 -0.132 249 H PHE 36 HN PHE 36 -6.149 -3.292 0.691 250 HA PHE 36 HA PHE 36 -7.041 -5.379 -1.178 251 1HB PHE 36 HB2 PHE 36 -6.691 -5.860 1.766 252 2HB PHE 36 HB1 PHE 36 -8.018 -6.647 0.911 253 HD1 PHE 36 HD1 PHE 36 -4.357 -6.382 1.228 254 HD2 PHE 36 HD2 PHE 36 -7.600 -8.307 -0.830 255 HE1 PHE 36 HE1 PHE 36 -2.783 -8.078 0.335 256 HE2 PHE 36 HE2 PHE 36 -6.025 -10.004 -1.722 257 HZ PHE 36 HZ PHE 36 -3.617 -9.889 -1.141 258 H GLY 37 HN GLY 37 -7.781 -3.249 1.558 259 1HA GLY 37 HA2 GLY 37 -9.783 -2.167 2.145 260 2HA GLY 37 HA1 GLY 37 -10.000 -2.006 0.401 261 H ARG 38 HN ARG 38 -10.292 -4.543 2.915 262 HA ARG 38 HA ARG 38 -12.414 -5.858 1.351 263 1HB ARG 38 HB2 ARG 38 -11.478 -6.560 4.143 264 2HB ARG 38 HB1 ARG 38 -12.297 -7.608 2.983 265 1HG ARG 38 HG2 ARG 38 -9.776 -6.387 2.023 266 2HG ARG 38 HG1 ARG 38 -9.596 -7.565 3.324 267 1HD ARG 38 HD2 ARG 38 -11.107 -8.041 0.737 268 2HD ARG 38 HD1 ARG 38 -9.490 -8.647 1.096 269 HE ARG 38 HE ARG 38 -11.833 -9.423 2.784 270 1HH1 ARG 38 HH21 ARG 38 -11.483 -11.148 0.399 271 2HH1 ARG 38 HH22 ARG 38 -10.411 -12.381 0.974 272 1HH2 ARG 38 HH11 ARG 38 -9.386 -10.571 3.748 273 2HH2 ARG 38 HH12 ARG 38 -9.224 -12.054 2.870 Start of MODEL 7 1 1H THR 4 HT1 THR 4 6.266 -3.541 -5.773 2 2H THR 4 HT2 THR 4 7.492 -2.622 -6.509 3 3H THR 4 HT3 THR 4 6.536 -3.671 -7.442 4 HA THR 4 HA THR 4 5.426 -1.791 -7.939 5 HB THR 4 HB THR 4 4.217 -1.900 -5.205 6 HG1 THR 4 HG1 THR 4 3.958 -3.954 -7.140 7 1HG2 THR 4 HG21 THR 4 2.667 -0.799 -6.409 8 2HG2 THR 4 HG22 THR 4 2.328 -2.328 -7.220 9 3HG2 THR 4 HG23 THR 4 3.479 -1.192 -7.925 10 H ILE 5 HN ILE 5 4.290 0.063 -5.887 11 HA ILE 5 HA ILE 5 6.247 2.092 -5.987 12 HB ILE 5 HB ILE 5 4.813 2.953 -3.934 13 1HG1 ILE 5 HG12 ILE 5 2.875 1.012 -5.183 14 2HG1 ILE 5 HG11 ILE 5 3.775 0.617 -3.716 15 1HG2 ILE 5 HG21 ILE 5 3.036 3.634 -5.639 16 2HG2 ILE 5 HG22 ILE 5 3.946 2.671 -6.804 17 3HG2 ILE 5 HG23 ILE 5 4.702 4.063 -6.028 18 1HD1 ILE 5 HD11 ILE 5 1.979 3.033 -4.077 19 2HD1 ILE 5 HD12 ILE 5 2.863 2.618 -2.609 20 3HD1 ILE 5 HD13 ILE 5 1.561 1.575 -3.178 21 H SER 6 HN SER 6 7.858 2.706 -4.572 22 HA SER 6 HA SER 6 8.731 0.711 -2.614 23 1HB SER 6 HB2 SER 6 9.959 3.441 -2.918 24 2HB SER 6 HB1 SER 6 10.740 1.919 -2.500 25 HG SER 6 HG SER 6 11.215 2.032 -4.576 26 H CYS 7 HN CYS 7 7.459 0.693 -0.782 27 HA CYS 7 HA CYS 7 7.017 3.330 0.562 28 1HB CYS 7 HB2 CYS 7 4.957 2.480 1.454 29 2HB CYS 7 HB1 CYS 7 4.953 2.104 -0.269 30 H THR 8 HN THR 8 7.595 3.497 2.712 31 HA THR 8 HA THR 8 8.894 1.089 3.920 32 HB THR 8 HB THR 8 10.522 2.835 3.670 33 HG1 THR 8 HG1 THR 8 10.862 2.090 5.642 34 1HG2 THR 8 HG21 THR 8 9.295 4.780 3.218 35 2HG2 THR 8 HG22 THR 8 9.956 5.105 4.821 36 3HG2 THR 8 HG23 THR 8 8.281 4.584 4.647 37 H ASN 9 HN ASN 9 6.100 2.831 4.002 38 HA ASN 9 HA ASN 9 5.461 1.869 6.718 39 1HB ASN 9 HB2 ASN 9 5.767 4.722 5.964 40 2HB ASN 9 HB1 ASN 9 4.299 4.328 6.858 41 1HD2 ASN 9 HD21 ASN 9 6.324 5.913 8.072 42 2HD2 ASN 9 HD22 ASN 9 7.047 5.018 9.320 43 H GLU 10 HN GLU 10 3.074 1.910 7.064 44 HA GLU 10 HA GLU 10 1.647 1.066 4.729 45 1HB GLU 10 HB2 GLU 10 -0.314 0.993 6.168 46 2HB GLU 10 HB1 GLU 10 1.076 0.391 7.071 47 1HG GLU 10 HG2 GLU 10 1.364 2.603 8.121 48 2HG GLU 10 HG1 GLU 10 -0.018 3.217 7.213 49 H LYS 11 HN LYS 11 1.750 4.158 6.467 50 HA LYS 11 HA LYS 11 -0.366 5.495 5.184 51 1HB LYS 11 HB2 LYS 11 0.752 6.608 6.979 52 2HB LYS 11 HB1 LYS 11 2.314 6.496 6.168 53 1HG LYS 11 HG2 LYS 11 1.919 8.338 4.905 54 2HG LYS 11 HG1 LYS 11 0.253 7.864 4.576 55 1HD LYS 11 HD2 LYS 11 1.057 8.856 7.305 56 2HD LYS 11 HD1 LYS 11 0.657 9.991 6.016 57 1HE LYS 11 HE2 LYS 11 -1.559 9.188 5.838 58 2HE LYS 11 HE1 LYS 11 -1.182 7.702 6.711 59 1HZ LYS 11 HZ1 LYS 11 -0.568 9.971 8.291 60 2HZ LYS 11 HZ2 LYS 11 -1.636 8.691 8.624 61 3HZ LYS 11 HZ3 LYS 11 -2.178 10.052 7.764 62 H GLN 12 HN GLN 12 2.763 4.572 3.922 63 HA GLN 12 HA GLN 12 2.824 6.379 1.692 64 1HB GLN 12 HB2 GLN 12 4.243 3.915 2.511 65 2HB GLN 12 HB1 GLN 12 4.181 4.203 0.771 66 1HG GLN 12 HG2 GLN 12 6.090 5.403 1.348 67 2HG GLN 12 HG1 GLN 12 4.856 6.659 1.460 68 1HE2 GLN 12 HE21 GLN 12 4.000 7.136 3.686 69 2HE2 GLN 12 HE22 GLN 12 4.985 6.832 5.035 70 H CYS 13 HN CYS 13 1.559 3.055 2.039 71 HA CYS 13 HA CYS 13 0.532 3.133 -0.725 72 1HB CYS 13 HB2 CYS 13 -0.214 0.985 1.229 73 2HB CYS 13 HB1 CYS 13 0.100 0.859 -0.498 74 H TYR 14 HN TYR 14 -0.475 4.555 2.025 75 HA TYR 14 HA TYR 14 -3.237 3.765 2.199 76 1HB TYR 14 HB2 TYR 14 -1.523 5.878 3.322 77 2HB TYR 14 HB1 TYR 14 -3.211 6.348 3.121 78 HD1 TYR 14 HD1 TYR 14 -4.142 6.251 5.284 79 HD2 TYR 14 HD2 TYR 14 -1.748 2.985 3.849 80 HE1 TYR 14 HE1 TYR 14 -4.758 4.921 7.284 81 HE2 TYR 14 HE2 TYR 14 -2.364 1.655 5.850 82 HH TYR 14 HH TYR 14 -4.850 2.677 8.041 83 HA PRO 15 HA PRO 15 -4.100 7.601 -0.530 84 1HB PRO 15 HB2 PRO 15 -1.940 8.806 -1.728 85 2HB PRO 15 HB1 PRO 15 -2.568 9.279 -0.139 86 1HG PRO 15 HG2 PRO 15 -0.117 7.703 -0.800 87 2HG PRO 15 HG1 PRO 15 -0.436 8.747 0.594 88 1HD PRO 15 HD2 PRO 15 -0.537 5.938 0.598 89 2HD PRO 15 HD1 PRO 15 -1.229 6.995 1.848 90 H HIS 16 HN HIS 16 -1.238 5.809 -1.662 91 HA HIS 16 HA HIS 16 -2.008 5.826 -4.431 92 1HB HIS 16 HB2 HIS 16 0.216 5.327 -4.312 93 2HB HIS 16 HB1 HIS 16 0.060 4.543 -2.746 94 HD1 HIS 16 HD1 HIS 16 0.383 3.834 -6.330 95 HD2 HIS 16 HD2 HIS 16 -0.941 1.791 -2.951 96 HE1 HIS 16 HE1 HIS 16 0.342 1.380 -6.952 97 H CYS 17 HN CYS 17 -3.011 3.907 -1.704 98 HA CYS 17 HA CYS 17 -4.048 1.709 -3.343 99 1HB CYS 17 HB2 CYS 17 -4.016 2.401 -0.452 100 2HB CYS 17 HB1 CYS 17 -5.370 1.421 -1.002 101 H LYS 18 HN LYS 18 -5.620 4.202 -1.294 102 HA LYS 18 HA LYS 18 -8.261 3.765 -2.142 103 1HB LYS 18 HB2 LYS 18 -7.648 5.313 -0.316 104 2HB LYS 18 HB1 LYS 18 -6.968 6.432 -1.498 105 1HG LYS 18 HG2 LYS 18 -9.043 7.356 -1.518 106 2HG LYS 18 HG1 LYS 18 -9.472 5.979 -2.533 107 1HD LYS 18 HD2 LYS 18 -10.710 5.016 -0.898 108 2HD LYS 18 HD1 LYS 18 -9.503 5.367 0.340 109 1HE LYS 18 HE2 LYS 18 -10.824 7.023 1.094 110 2HE LYS 18 HE1 LYS 18 -10.583 7.862 -0.439 111 1HZ LYS 18 HZ1 LYS 18 -12.686 7.471 -0.948 112 2HZ LYS 18 HZ2 LYS 18 -12.920 6.678 0.536 113 3HZ LYS 18 HZ3 LYS 18 -12.434 5.798 -0.833 114 H LYS 19 HN LYS 19 -5.675 5.561 -3.751 115 HA LYS 19 HA LYS 19 -7.438 6.607 -5.825 116 1HB LYS 19 HB2 LYS 19 -5.011 7.384 -4.971 117 2HB LYS 19 HB1 LYS 19 -4.508 6.353 -6.311 118 1HG LYS 19 HG2 LYS 19 -6.197 7.610 -7.748 119 2HG LYS 19 HG1 LYS 19 -6.337 8.760 -6.417 120 1HD LYS 19 HD2 LYS 19 -3.853 9.090 -6.516 121 2HD LYS 19 HD1 LYS 19 -3.817 8.066 -7.951 122 1HE LYS 19 HE2 LYS 19 -4.620 9.714 -9.281 123 2HE LYS 19 HE1 LYS 19 -5.839 10.186 -8.098 124 1HZ LYS 19 HZ1 LYS 19 -4.480 11.703 -7.161 125 2HZ LYS 19 HZ2 LYS 19 -3.759 11.699 -8.700 126 3HZ LYS 19 HZ3 LYS 19 -3.072 10.797 -7.434 127 H GLU 20 HN GLU 20 -5.418 3.762 -5.396 128 HA GLU 20 HA GLU 20 -5.395 2.933 -8.148 129 1HB GLU 20 HB2 GLU 20 -3.982 2.086 -6.121 130 2HB GLU 20 HB1 GLU 20 -5.339 0.991 -5.851 131 1HG GLU 20 HG2 GLU 20 -4.287 1.198 -8.633 132 2HG GLU 20 HG1 GLU 20 -3.298 0.335 -7.457 133 H THR 21 HN THR 21 -7.603 2.230 -5.442 134 HA THR 21 HA THR 21 -9.589 1.301 -7.455 135 HB THR 21 HB THR 21 -8.628 -0.745 -6.579 136 HG1 THR 21 HG1 THR 21 -10.526 -1.568 -6.218 137 1HG2 THR 21 HG21 THR 21 -8.018 -1.070 -4.402 138 2HG2 THR 21 HG22 THR 21 -9.407 -0.182 -3.774 139 3HG2 THR 21 HG23 THR 21 -7.998 0.694 -4.372 140 H GLY 22 HN GLY 22 -8.937 2.450 -4.163 141 1HA GLY 22 HA2 GLY 22 -10.480 4.416 -3.580 142 2HA GLY 22 HA1 GLY 22 -11.793 3.321 -4.005 143 H TYR 23 HN TYR 23 -8.979 2.057 -2.364 144 HA TYR 23 HA TYR 23 -10.586 1.920 0.150 145 1HB TYR 23 HB2 TYR 23 -8.956 -0.204 -1.236 146 2HB TYR 23 HB1 TYR 23 -9.279 -0.293 0.495 147 HD1 TYR 23 HD1 TYR 23 -11.898 0.414 1.025 148 HD2 TYR 23 HD2 TYR 23 -10.411 -1.450 -2.547 149 HE1 TYR 23 HE1 TYR 23 -14.156 -0.497 0.560 150 HE2 TYR 23 HE2 TYR 23 -12.668 -2.361 -3.013 151 HH TYR 23 HH TYR 23 -14.729 -2.686 -2.172 152 HA PRO 24 HA PRO 24 -6.889 3.842 1.719 153 1HB PRO 24 HB2 PRO 24 -7.776 4.046 4.313 154 2HB PRO 24 HB1 PRO 24 -8.273 5.150 3.020 155 1HG PRO 24 HG2 PRO 24 -9.820 2.950 4.307 156 2HG PRO 24 HG1 PRO 24 -10.409 4.418 3.509 157 1HD PRO 24 HD2 PRO 24 -10.367 1.815 2.388 158 2HD PRO 24 HD1 PRO 24 -10.655 3.330 1.507 159 H ASN 25 HN ASN 25 -8.439 1.099 3.390 160 HA ASN 25 HA ASN 25 -6.325 0.343 5.092 161 1HB ASN 25 HB2 ASN 25 -8.507 -1.180 3.697 162 2HB ASN 25 HB1 ASN 25 -7.264 -2.063 4.583 163 1HD2 ASN 25 HD21 ASN 25 -9.935 -2.127 5.514 164 2HD2 ASN 25 HD22 ASN 25 -10.041 -1.249 6.964 165 H ALA 26 HN ALA 26 -4.233 -0.008 4.503 166 HA ALA 26 HA ALA 26 -3.687 -1.818 2.234 167 1HB ALA 26 HB1 ALA 26 -2.125 -0.270 1.165 168 2HB ALA 26 HB2 ALA 26 -2.460 0.952 2.393 169 3HB ALA 26 HB3 ALA 26 -3.721 0.474 1.255 170 H LYS 27 HN LYS 27 -1.559 -2.746 2.353 171 HA LYS 27 HA LYS 27 -0.204 -2.278 4.979 172 1HB LYS 27 HB2 LYS 27 -0.938 -4.751 3.513 173 2HB LYS 27 HB1 LYS 27 0.667 -4.745 4.245 174 1HG LYS 27 HG2 LYS 27 -1.216 -5.598 5.737 175 2HG LYS 27 HG1 LYS 27 -0.226 -4.309 6.423 176 1HD LYS 27 HD2 LYS 27 -1.889 -2.651 5.927 177 2HD LYS 27 HD1 LYS 27 -2.816 -3.787 4.946 178 1HE LYS 27 HE2 LYS 27 -3.733 -4.828 6.770 179 2HE LYS 27 HE1 LYS 27 -2.288 -4.600 7.755 180 1HZ LYS 27 HZ1 LYS 27 -3.658 -2.165 7.009 181 2HZ LYS 27 HZ2 LYS 27 -3.006 -2.633 8.507 182 3HZ LYS 27 HZ3 LYS 27 -4.542 -3.185 8.036 183 H CYS 28 HN CYS 28 1.968 -1.800 4.910 184 HA CYS 28 HA CYS 28 3.199 -1.660 2.196 185 1HB CYS 28 HB2 CYS 28 3.147 0.486 3.304 186 2HB CYS 28 HB1 CYS 28 3.827 -0.204 4.778 187 H MET 29 HN MET 29 4.919 -2.950 1.736 188 HA MET 29 HA MET 29 6.379 -4.229 4.006 189 1HB MET 29 HB2 MET 29 4.866 -5.515 1.807 190 2HB MET 29 HB1 MET 29 6.475 -6.175 2.097 191 1HG MET 29 HG2 MET 29 4.649 -5.671 4.427 192 2HG MET 29 HG1 MET 29 4.427 -7.122 3.446 193 1HE MET 29 HE1 MET 29 6.387 -7.490 6.986 194 2HE MET 29 HE2 MET 29 4.930 -6.725 6.358 195 3HE MET 29 HE3 MET 29 6.397 -5.773 6.566 196 H ASN 30 HN ASN 30 8.272 -5.619 2.584 197 HA ASN 30 HA ASN 30 10.175 -3.697 1.853 198 1HB ASN 30 HB2 ASN 30 10.087 -6.481 1.939 199 2HB ASN 30 HB1 ASN 30 10.422 -6.126 0.245 200 1HD2 ASN 30 HD21 ASN 30 12.214 -7.110 2.586 201 2HD2 ASN 30 HD22 ASN 30 13.551 -6.065 2.527 202 H ARG 31 HN ARG 31 9.304 -2.088 0.480 203 HA ARG 31 HA ARG 31 8.520 -1.148 -1.535 204 1HB ARG 31 HB2 ARG 31 10.058 -3.435 -2.790 205 2HB ARG 31 HB1 ARG 31 9.751 -1.840 -3.478 206 1HG ARG 31 HG2 ARG 31 11.001 -1.488 -0.928 207 2HG ARG 31 HG1 ARG 31 11.948 -2.655 -1.850 208 1HD ARG 31 HD2 ARG 31 10.991 -0.114 -3.150 209 2HD ARG 31 HD1 ARG 31 12.453 -0.113 -2.163 210 HE ARG 31 HE ARG 31 12.670 -2.267 -3.992 211 1HH1 ARG 31 HH11 ARG 31 13.539 0.934 -3.473 212 2HH1 ARG 31 HH12 ARG 31 14.001 1.259 -5.110 213 1HH2 ARG 31 HH21 ARG 31 12.809 -1.761 -6.326 214 2HH2 ARG 31 HH22 ARG 31 13.589 -0.267 -6.725 215 H LYS 32 HN LYS 32 6.533 -2.661 -0.447 216 HA LYS 32 HA LYS 32 5.249 -3.783 -2.865 217 1HB LYS 32 HB2 LYS 32 6.005 -5.342 -0.430 218 2HB LYS 32 HB1 LYS 32 4.453 -5.701 -1.188 219 1HG LYS 32 HG2 LYS 32 5.547 -6.097 -3.334 220 2HG LYS 32 HG1 LYS 32 7.108 -5.636 -2.652 221 1HD LYS 32 HD2 LYS 32 7.316 -7.890 -2.328 222 2HD LYS 32 HD1 LYS 32 6.372 -7.549 -0.879 223 1HE LYS 32 HE2 LYS 32 5.030 -9.192 -1.761 224 2HE LYS 32 HE1 LYS 32 4.353 -7.819 -2.636 225 1HZ LYS 32 HZ1 LYS 32 5.788 -10.057 -3.639 226 2HZ LYS 32 HZ2 LYS 32 6.547 -8.605 -4.090 227 3HZ LYS 32 HZ3 LYS 32 4.917 -8.874 -4.487 228 H CYS 33 HN CYS 33 3.530 -2.385 -2.900 229 HA CYS 33 HA CYS 33 2.079 -1.872 -0.345 230 1HB CYS 33 HB2 CYS 33 2.160 -0.452 -3.010 231 2HB CYS 33 HB1 CYS 33 0.872 -0.143 -1.847 232 H LYS 34 HN LYS 34 0.373 -3.224 -0.013 233 HA LYS 34 HA LYS 34 -1.161 -4.121 -2.420 234 1HB LYS 34 HB2 LYS 34 -0.547 -5.607 0.147 235 2HB LYS 34 HB1 LYS 34 -1.728 -6.159 -1.041 236 1HG LYS 34 HG2 LYS 34 0.196 -5.920 -2.761 237 2HG LYS 34 HG1 LYS 34 1.257 -5.889 -1.351 238 1HD LYS 34 HD2 LYS 34 1.212 -8.153 -1.511 239 2HD LYS 34 HD1 LYS 34 -0.385 -8.017 -0.775 240 1HE LYS 34 HE2 LYS 34 -1.232 -8.966 -2.635 241 2HE LYS 34 HE1 LYS 34 -0.797 -7.492 -3.502 242 1HZ LYS 34 HZ1 LYS 34 0.138 -9.599 -4.433 243 2HZ LYS 34 HZ2 LYS 34 1.103 -9.718 -3.039 244 3HZ LYS 34 HZ3 LYS 34 1.286 -8.397 -4.092 245 H CYS 35 HN CYS 35 -3.280 -3.539 -2.410 246 HA CYS 35 HA CYS 35 -4.369 -2.272 0.035 247 1HB CYS 35 HB2 CYS 35 -5.815 -2.539 -2.599 248 2HB CYS 35 HB1 CYS 35 -6.011 -1.300 -1.360 249 H PHE 36 HN PHE 36 -6.228 -3.073 1.097 250 HA PHE 36 HA PHE 36 -6.701 -5.952 0.711 251 1HB PHE 36 HB2 PHE 36 -7.180 -3.963 2.836 252 2HB PHE 36 HB1 PHE 36 -8.452 -5.175 2.671 253 HD1 PHE 36 HD1 PHE 36 -4.938 -4.577 3.541 254 HD2 PHE 36 HD2 PHE 36 -7.953 -7.576 2.930 255 HE1 PHE 36 HE1 PHE 36 -3.505 -6.252 4.679 256 HE2 PHE 36 HE2 PHE 36 -6.520 -9.249 4.067 257 HZ PHE 36 HZ PHE 36 -4.296 -8.587 4.941 258 H GLY 37 HN GLY 37 -8.888 -3.125 1.039 259 1HA GLY 37 HA2 GLY 37 -10.932 -2.685 -0.027 260 2HA GLY 37 HA1 GLY 37 -10.376 -3.735 -1.332 261 H ARG 38 HN ARG 38 -11.165 -4.307 2.111 262 HA ARG 38 HA ARG 38 -12.359 -6.878 1.512 263 1HB ARG 38 HB2 ARG 38 -11.294 -6.274 3.710 264 2HB ARG 38 HB1 ARG 38 -12.669 -5.214 4.028 265 1HG ARG 38 HG2 ARG 38 -13.396 -7.160 5.063 266 2HG ARG 38 HG1 ARG 38 -14.064 -7.389 3.447 267 1HD ARG 38 HD2 ARG 38 -12.895 -9.305 3.292 268 2HD ARG 38 HD1 ARG 38 -11.412 -8.353 3.334 269 HE ARG 38 HE ARG 38 -11.081 -9.350 5.437 270 1HH1 ARG 38 HH21 ARG 38 -13.344 -11.205 5.432 271 2HH1 ARG 38 HH22 ARG 38 -14.326 -10.647 6.745 272 1HH2 ARG 38 HH11 ARG 38 -12.808 -7.533 6.903 273 2HH2 ARG 38 HH12 ARG 38 -14.024 -8.567 7.576 Start of MODEL 8 1 1H THR 4 HT1 THR 4 7.024 -3.113 -9.480 2 2H THR 4 HT2 THR 4 5.839 -4.308 -9.244 3 3H THR 4 HT3 THR 4 6.783 -3.773 -7.936 4 HA THR 4 HA THR 4 4.876 -2.074 -9.451 5 HB THR 4 HB THR 4 4.431 -2.818 -6.603 6 HG1 THR 4 HG1 THR 4 3.468 -4.558 -8.557 7 1HG2 THR 4 HG21 THR 4 3.017 -1.626 -8.779 8 2HG2 THR 4 HG22 THR 4 2.473 -1.845 -7.115 9 3HG2 THR 4 HG23 THR 4 2.165 -3.099 -8.316 10 H ILE 5 HN ILE 5 4.301 -0.785 -6.854 11 HA ILE 5 HA ILE 5 6.289 1.277 -6.948 12 HB ILE 5 HB ILE 5 3.803 1.239 -6.039 13 1HG1 ILE 5 HG12 ILE 5 5.390 3.022 -4.338 14 2HG1 ILE 5 HG11 ILE 5 5.862 3.062 -6.039 15 1HG2 ILE 5 HG21 ILE 5 4.962 1.365 -3.348 16 2HG2 ILE 5 HG22 ILE 5 4.958 -0.252 -4.049 17 3HG2 ILE 5 HG23 ILE 5 3.448 0.643 -3.890 18 1HD1 ILE 5 HD11 ILE 5 4.037 4.696 -5.448 19 2HD1 ILE 5 HD12 ILE 5 3.000 3.318 -5.084 20 3HD1 ILE 5 HD13 ILE 5 3.598 3.561 -6.725 21 H SER 6 HN SER 6 6.641 1.668 -4.115 22 HA SER 6 HA SER 6 8.011 -0.589 -2.942 23 1HB SER 6 HB2 SER 6 10.263 0.902 -3.069 24 2HB SER 6 HB1 SER 6 9.892 -0.361 -4.238 25 HG SER 6 HG SER 6 9.883 1.168 -5.666 26 H CYS 7 HN CYS 7 6.993 -0.027 -1.020 27 HA CYS 7 HA CYS 7 7.654 2.679 0.078 28 1HB CYS 7 HB2 CYS 7 5.564 2.563 1.336 29 2HB CYS 7 HB1 CYS 7 5.226 2.301 -0.377 30 H THR 8 HN THR 8 7.263 2.511 2.633 31 HA THR 8 HA THR 8 8.576 0.032 3.647 32 HB THR 8 HB THR 8 10.232 1.207 4.783 33 HG1 THR 8 HG1 THR 8 9.842 3.644 4.927 34 1HG2 THR 8 HG21 THR 8 11.250 2.749 3.248 35 2HG2 THR 8 HG22 THR 8 9.693 3.142 2.520 36 3HG2 THR 8 HG23 THR 8 10.403 1.545 2.276 37 H ASN 9 HN ASN 9 6.966 3.077 4.598 38 HA ASN 9 HA ASN 9 5.874 1.762 7.009 39 1HB ASN 9 HB2 ASN 9 5.241 4.562 6.068 40 2HB ASN 9 HB1 ASN 9 5.218 3.927 7.714 41 1HD2 ASN 9 HD21 ASN 9 6.871 6.174 6.323 42 2HD2 ASN 9 HD22 ASN 9 8.468 5.820 6.776 43 H GLU 10 HN GLU 10 3.532 1.748 7.393 44 HA GLU 10 HA GLU 10 2.039 0.773 5.157 45 1HB GLU 10 HB2 GLU 10 1.390 0.026 7.324 46 2HB GLU 10 HB1 GLU 10 1.232 1.676 7.925 47 1HG GLU 10 HG2 GLU 10 -0.657 2.056 6.378 48 2HG GLU 10 HG1 GLU 10 -0.506 0.400 5.791 49 H LYS 11 HN LYS 11 1.979 3.939 6.810 50 HA LYS 11 HA LYS 11 -0.187 5.029 5.300 51 1HB LYS 11 HB2 LYS 11 0.927 5.957 7.429 52 2HB LYS 11 HB1 LYS 11 2.129 6.658 6.345 53 1HG LYS 11 HG2 LYS 11 0.020 7.543 5.042 54 2HG LYS 11 HG1 LYS 11 -0.796 7.289 6.585 55 1HD LYS 11 HD2 LYS 11 1.735 8.920 6.228 56 2HD LYS 11 HD1 LYS 11 0.112 9.600 6.359 57 1HE LYS 11 HE2 LYS 11 1.083 7.700 8.470 58 2HE LYS 11 HE1 LYS 11 1.612 9.381 8.513 59 1HZ LYS 11 HZ1 LYS 11 -0.303 9.615 9.654 60 2HZ LYS 11 HZ2 LYS 11 -1.035 8.251 8.955 61 3HZ LYS 11 HZ3 LYS 11 -0.979 9.720 8.103 62 H GLN 12 HN GLN 12 3.007 4.274 4.343 63 HA GLN 12 HA GLN 12 3.408 6.332 2.376 64 1HB GLN 12 HB2 GLN 12 4.510 3.535 2.690 65 2HB GLN 12 HB1 GLN 12 4.983 4.587 1.356 66 1HG GLN 12 HG2 GLN 12 5.084 6.001 3.891 67 2HG GLN 12 HG1 GLN 12 6.097 4.560 3.924 68 1HE2 GLN 12 HE21 GLN 12 7.446 6.965 3.984 69 2HE2 GLN 12 HE22 GLN 12 8.177 7.281 2.486 70 H CYS 13 HN CYS 13 1.084 3.896 2.485 71 HA CYS 13 HA CYS 13 0.691 4.153 -0.462 72 1HB CYS 13 HB2 CYS 13 1.365 1.760 0.961 73 2HB CYS 13 HB1 CYS 13 -0.282 1.605 0.348 74 H TYR 14 HN TYR 14 -0.585 5.382 1.994 75 HA TYR 14 HA TYR 14 -3.217 4.223 2.258 76 1HB TYR 14 HB2 TYR 14 -1.818 6.636 3.203 77 2HB TYR 14 HB1 TYR 14 -3.547 6.862 2.946 78 HD1 TYR 14 HD1 TYR 14 -1.967 3.632 3.850 79 HD2 TYR 14 HD2 TYR 14 -4.209 7.016 5.254 80 HE1 TYR 14 HE1 TYR 14 -2.445 2.437 5.970 81 HE2 TYR 14 HE2 TYR 14 -4.685 5.822 7.375 82 HH TYR 14 HH TYR 14 -3.493 3.901 8.710 83 HA PRO 15 HA PRO 15 -4.532 7.665 -0.796 84 1HB PRO 15 HB2 PRO 15 -2.532 9.069 -2.054 85 2HB PRO 15 HB1 PRO 15 -3.273 9.572 -0.524 86 1HG PRO 15 HG2 PRO 15 -0.600 8.328 -1.001 87 2HG PRO 15 HG1 PRO 15 -1.114 9.419 0.296 88 1HD PRO 15 HD2 PRO 15 -0.805 6.635 0.531 89 2HD PRO 15 HD1 PRO 15 -1.685 7.674 1.672 90 H HIS 16 HN HIS 16 -1.378 6.311 -1.832 91 HA HIS 16 HA HIS 16 -1.984 6.020 -4.571 92 1HB HIS 16 HB2 HIS 16 0.200 5.432 -4.342 93 2HB HIS 16 HB1 HIS 16 -0.028 4.903 -2.680 94 HD1 HIS 16 HD1 HIS 16 0.534 3.624 -6.046 95 HD2 HIS 16 HD2 HIS 16 -1.216 2.173 -2.554 96 HE1 HIS 16 HE1 HIS 16 0.391 1.110 -6.311 97 H CYS 17 HN CYS 17 -2.598 3.754 -1.875 98 HA CYS 17 HA CYS 17 -3.931 1.827 -3.596 99 1HB CYS 17 HB2 CYS 17 -3.515 2.158 -0.655 100 2HB CYS 17 HB1 CYS 17 -4.823 1.103 -1.190 101 H LYS 18 HN LYS 18 -4.918 4.687 -1.853 102 HA LYS 18 HA LYS 18 -7.709 4.123 -1.627 103 1HB LYS 18 HB2 LYS 18 -6.753 6.004 -0.436 104 2HB LYS 18 HB1 LYS 18 -6.247 6.758 -1.949 105 1HG LYS 18 HG2 LYS 18 -9.077 6.133 -2.017 106 2HG LYS 18 HG1 LYS 18 -8.695 7.137 -0.619 107 1HD LYS 18 HD2 LYS 18 -7.784 8.861 -1.962 108 2HD LYS 18 HD1 LYS 18 -7.641 7.806 -3.367 109 1HE LYS 18 HE2 LYS 18 -9.556 9.348 -3.612 110 2HE LYS 18 HE1 LYS 18 -10.098 7.672 -3.524 111 1HZ LYS 18 HZ1 LYS 18 -9.939 9.418 -1.140 112 2HZ LYS 18 HZ2 LYS 18 -10.756 7.937 -1.301 113 3HZ LYS 18 HZ3 LYS 18 -11.333 9.320 -2.101 114 H LYS 19 HN LYS 19 -5.954 5.956 -4.157 115 HA LYS 19 HA LYS 19 -8.342 6.004 -5.857 116 1HB LYS 19 HB2 LYS 19 -6.902 7.162 -7.468 117 2HB LYS 19 HB1 LYS 19 -6.691 7.867 -5.866 118 1HG LYS 19 HG2 LYS 19 -4.723 6.266 -5.570 119 2HG LYS 19 HG1 LYS 19 -4.854 5.942 -7.298 120 1HD LYS 19 HD2 LYS 19 -4.488 8.285 -7.821 121 2HD LYS 19 HD1 LYS 19 -4.518 8.710 -6.110 122 1HE LYS 19 HE2 LYS 19 -2.300 8.347 -6.030 123 2HE LYS 19 HE1 LYS 19 -2.609 6.643 -6.370 124 1HZ LYS 19 HZ1 LYS 19 -2.210 8.796 -8.376 125 2HZ LYS 19 HZ2 LYS 19 -2.614 7.189 -8.746 126 3HZ LYS 19 HZ3 LYS 19 -1.124 7.545 -8.012 127 H GLU 20 HN GLU 20 -5.739 3.845 -5.298 128 HA GLU 20 HA GLU 20 -5.563 2.691 -7.939 129 1HB GLU 20 HB2 GLU 20 -3.817 2.449 -6.156 130 2HB GLU 20 HB1 GLU 20 -4.919 1.383 -5.281 131 1HG GLU 20 HG2 GLU 20 -4.093 -0.320 -6.502 132 2HG GLU 20 HG1 GLU 20 -4.893 0.391 -7.904 133 H THR 21 HN THR 21 -7.592 2.028 -5.112 134 HA THR 21 HA THR 21 -9.233 0.269 -6.861 135 HB THR 21 HB THR 21 -7.777 -1.227 -5.555 136 HG1 THR 21 HG1 THR 21 -9.665 -2.192 -5.790 137 1HG2 THR 21 HG21 THR 21 -8.399 0.690 -3.473 138 2HG2 THR 21 HG22 THR 21 -7.146 -0.549 -3.506 139 3HG2 THR 21 HG23 THR 21 -8.768 -0.951 -2.942 140 H GLY 22 HN GLY 22 -9.205 2.978 -5.181 141 1HA GLY 22 HA2 GLY 22 -11.093 4.294 -4.569 142 2HA GLY 22 HA1 GLY 22 -12.087 2.839 -4.617 143 H TYR 23 HN TYR 23 -10.028 1.432 -2.863 144 HA TYR 23 HA TYR 23 -10.976 2.645 -0.305 145 1HB TYR 23 HB2 TYR 23 -9.906 -0.158 -0.560 146 2HB TYR 23 HB1 TYR 23 -11.038 0.493 0.626 147 HD1 TYR 23 HD1 TYR 23 -10.859 -1.600 -2.119 148 HD2 TYR 23 HD2 TYR 23 -13.182 1.690 -0.628 149 HE1 TYR 23 HE1 TYR 23 -12.764 -2.298 -3.545 150 HE2 TYR 23 HE2 TYR 23 -15.087 0.991 -2.054 151 HH TYR 23 HH TYR 23 -14.799 -1.782 -4.272 152 HA PRO 24 HA PRO 24 -6.736 3.537 0.577 153 1HB PRO 24 HB2 PRO 24 -7.094 4.217 3.213 154 2HB PRO 24 HB1 PRO 24 -7.536 5.275 1.863 155 1HG PRO 24 HG2 PRO 24 -9.306 3.685 3.656 156 2HG PRO 24 HG1 PRO 24 -9.667 5.160 2.743 157 1HD PRO 24 HD2 PRO 24 -10.412 2.516 2.018 158 2HD PRO 24 HD1 PRO 24 -10.515 3.958 0.985 159 H ASN 25 HN ASN 25 -8.606 1.405 2.707 160 HA ASN 25 HA ASN 25 -6.771 0.329 4.432 161 1HB ASN 25 HB2 ASN 25 -8.648 -1.324 2.721 162 2HB ASN 25 HB1 ASN 25 -7.968 -1.801 4.276 163 1HD2 ASN 25 HD21 ASN 25 -10.564 -0.091 2.764 164 2HD2 ASN 25 HD22 ASN 25 -11.252 0.550 4.177 165 H ALA 26 HN ALA 26 -4.631 0.336 3.662 166 HA ALA 26 HA ALA 26 -3.974 -1.926 1.856 167 1HB ALA 26 HB1 ALA 26 -3.178 0.962 1.425 168 2HB ALA 26 HB2 ALA 26 -3.990 -0.118 0.292 169 3HB ALA 26 HB3 ALA 26 -2.293 -0.379 0.698 170 H LYS 27 HN LYS 27 -2.118 -2.973 2.548 171 HA LYS 27 HA LYS 27 -0.647 -1.716 4.822 172 1HB LYS 27 HB2 LYS 27 -1.746 -4.309 4.461 173 2HB LYS 27 HB1 LYS 27 0.008 -4.492 4.440 174 1HG LYS 27 HG2 LYS 27 -0.121 -4.427 6.700 175 2HG LYS 27 HG1 LYS 27 -0.396 -2.695 6.506 176 1HD LYS 27 HD2 LYS 27 -2.654 -2.868 6.900 177 2HD LYS 27 HD1 LYS 27 -2.762 -4.475 6.183 178 1HE LYS 27 HE2 LYS 27 -2.666 -5.393 8.234 179 2HE LYS 27 HE1 LYS 27 -1.077 -4.668 8.476 180 1HZ LYS 27 HZ1 LYS 27 -1.927 -2.980 9.673 181 2HZ LYS 27 HZ2 LYS 27 -3.195 -4.073 9.958 182 3HZ LYS 27 HZ3 LYS 27 -3.350 -2.882 8.757 183 H CYS 28 HN CYS 28 1.626 -1.571 4.720 184 HA CYS 28 HA CYS 28 2.749 -1.787 1.995 185 1HB CYS 28 HB2 CYS 28 3.390 -0.296 4.455 186 2HB CYS 28 HB1 CYS 28 4.801 -0.896 3.583 187 H MET 29 HN MET 29 3.983 -3.494 1.378 188 HA MET 29 HA MET 29 4.864 -5.407 3.484 189 1HB MET 29 HB2 MET 29 4.143 -5.633 0.597 190 2HB MET 29 HB1 MET 29 5.365 -6.744 1.217 191 1HG MET 29 HG2 MET 29 3.873 -7.865 2.531 192 2HG MET 29 HG1 MET 29 2.973 -6.401 2.929 193 1HE MET 29 HE1 MET 29 2.761 -9.567 1.716 194 2HE MET 29 HE2 MET 29 1.293 -9.608 0.741 195 3HE MET 29 HE3 MET 29 1.230 -8.993 2.391 196 H ASN 30 HN ASN 30 6.962 -6.669 2.270 197 HA ASN 30 HA ASN 30 9.155 -4.919 2.743 198 1HB ASN 30 HB2 ASN 30 9.273 -7.418 2.811 199 2HB ASN 30 HB1 ASN 30 9.157 -7.438 1.052 200 1HD2 ASN 30 HD21 ASN 30 11.322 -6.926 3.740 201 2HD2 ASN 30 HD22 ASN 30 12.701 -6.561 2.821 202 H ARG 31 HN ARG 31 9.115 -3.035 1.511 203 HA ARG 31 HA ARG 31 9.340 -1.676 -0.388 204 1HB ARG 31 HB2 ARG 31 10.743 -4.211 -1.254 205 2HB ARG 31 HB1 ARG 31 10.698 -2.765 -2.262 206 1HG ARG 31 HG2 ARG 31 11.566 -1.518 -0.165 207 2HG ARG 31 HG1 ARG 31 11.975 -3.121 0.447 208 1HD ARG 31 HD2 ARG 31 13.607 -3.471 -1.158 209 2HD ARG 31 HD1 ARG 31 12.823 -2.417 -2.335 210 HE ARG 31 HE ARG 31 13.743 -0.893 -0.067 211 1HH1 ARG 31 HH11 ARG 31 15.703 -2.990 -1.627 212 2HH1 ARG 31 HH12 ARG 31 16.682 -1.813 -2.437 213 1HH2 ARG 31 HH21 ARG 31 14.595 0.845 -1.665 214 2HH2 ARG 31 HH22 ARG 31 16.056 0.358 -2.459 215 H LYS 32 HN LYS 32 6.854 -3.153 -0.120 216 HA LYS 32 HA LYS 32 6.049 -3.087 -2.973 217 1HB LYS 32 HB2 LYS 32 5.783 -5.459 -1.129 218 2HB LYS 32 HB1 LYS 32 4.649 -5.215 -2.459 219 1HG LYS 32 HG2 LYS 32 7.663 -5.282 -2.792 220 2HG LYS 32 HG1 LYS 32 6.605 -6.667 -3.073 221 1HD LYS 32 HD2 LYS 32 5.303 -5.090 -4.662 222 2HD LYS 32 HD1 LYS 32 6.742 -4.070 -4.599 223 1HE LYS 32 HE2 LYS 32 6.959 -7.013 -5.214 224 2HE LYS 32 HE1 LYS 32 6.597 -5.846 -6.486 225 1HZ LYS 32 HZ1 LYS 32 8.639 -4.640 -5.308 226 2HZ LYS 32 HZ2 LYS 32 8.830 -5.742 -6.587 227 3HZ LYS 32 HZ3 LYS 32 9.052 -6.252 -4.981 228 H CYS 33 HN CYS 33 3.499 -3.387 -3.005 229 HA CYS 33 HA CYS 33 2.300 -2.182 -0.565 230 1HB CYS 33 HB2 CYS 33 2.564 -0.920 -3.235 231 2HB CYS 33 HB1 CYS 33 0.971 -0.799 -2.488 232 H LYS 34 HN LYS 34 0.348 -3.082 -0.110 233 HA LYS 34 HA LYS 34 -1.113 -4.479 -2.304 234 1HB LYS 34 HB2 LYS 34 0.311 -5.882 -0.469 235 2HB LYS 34 HB1 LYS 34 -1.218 -5.714 0.395 236 1HG LYS 34 HG2 LYS 34 -1.057 -6.670 -2.471 237 2HG LYS 34 HG1 LYS 34 -1.024 -7.771 -1.093 238 1HD LYS 34 HD2 LYS 34 -3.180 -6.556 -0.328 239 2HD LYS 34 HD1 LYS 34 -3.255 -5.947 -1.983 240 1HE LYS 34 HE2 LYS 34 -2.903 -8.888 -1.413 241 2HE LYS 34 HE1 LYS 34 -4.505 -8.150 -1.472 242 1HZ LYS 34 HZ1 LYS 34 -3.430 -7.171 -3.693 243 2HZ LYS 34 HZ2 LYS 34 -4.311 -8.623 -3.647 244 3HZ LYS 34 HZ3 LYS 34 -2.613 -8.655 -3.616 245 H CYS 35 HN CYS 35 -3.076 -3.482 -2.419 246 HA CYS 35 HA CYS 35 -4.147 -2.134 -0.017 247 1HB CYS 35 HB2 CYS 35 -5.712 -2.245 -2.558 248 2HB CYS 35 HB1 CYS 35 -5.486 -0.904 -1.437 249 H PHE 36 HN PHE 36 -6.758 -2.427 0.026 250 HA PHE 36 HA PHE 36 -7.485 -5.265 -0.387 251 1HB PHE 36 HB2 PHE 36 -7.037 -3.967 2.266 252 2HB PHE 36 HB1 PHE 36 -8.406 -5.068 2.116 253 HD1 PHE 36 HD1 PHE 36 -4.729 -4.766 1.920 254 HD2 PHE 36 HD2 PHE 36 -8.084 -7.440 1.716 255 HE1 PHE 36 HE1 PHE 36 -3.193 -6.707 2.090 256 HE2 PHE 36 HE2 PHE 36 -6.549 -9.380 1.885 257 HZ PHE 36 HZ PHE 36 -4.104 -9.014 2.072 258 H GLY 37 HN GLY 37 -8.948 -2.879 1.782 259 1HA GLY 37 HA2 GLY 37 -10.917 -1.589 1.492 260 2HA GLY 37 HA1 GLY 37 -10.976 -2.122 -0.189 261 H ARG 38 HN ARG 38 -10.543 -4.744 1.891 262 HA ARG 38 HA ARG 38 -13.413 -5.166 2.411 263 1HB ARG 38 HB2 ARG 38 -12.256 -6.129 0.025 264 2HB ARG 38 HB1 ARG 38 -12.385 -7.529 1.090 265 1HG ARG 38 HG2 ARG 38 -14.752 -5.767 1.104 266 2HG ARG 38 HG1 ARG 38 -14.444 -6.566 -0.438 267 1HD ARG 38 HD2 ARG 38 -15.166 -8.534 0.376 268 2HD ARG 38 HD1 ARG 38 -14.049 -8.428 1.736 269 HE ARG 38 HE ARG 38 -16.519 -6.822 1.947 270 1HH1 ARG 38 HH11 ARG 38 -17.171 -9.764 1.990 271 2HH1 ARG 38 HH12 ARG 38 -17.066 -10.122 3.681 272 1HH2 ARG 38 HH21 ARG 38 -15.324 -7.227 4.456 273 2HH2 ARG 38 HH22 ARG 38 -16.023 -8.685 5.078 Start of MODEL 9 1 1H THR 4 HT1 THR 4 5.705 -4.710 -6.502 2 2H THR 4 HT2 THR 4 7.138 -3.824 -6.724 3 3H THR 4 HT3 THR 4 6.619 -4.918 -7.916 4 HA THR 4 HA THR 4 5.794 -3.097 -8.901 5 HB THR 4 HB THR 4 3.783 -3.562 -6.686 6 HG1 THR 4 HG1 THR 4 2.779 -4.786 -8.330 7 1HG2 THR 4 HG21 THR 4 3.824 -1.354 -8.239 8 2HG2 THR 4 HG22 THR 4 2.326 -2.128 -7.722 9 3HG2 THR 4 HG23 THR 4 2.982 -2.457 -9.325 10 H ILE 5 HN ILE 5 4.348 -1.958 -5.961 11 HA ILE 5 HA ILE 5 5.599 0.636 -6.274 12 HB ILE 5 HB ILE 5 4.046 -0.305 -3.892 13 1HG1 ILE 5 HG12 ILE 5 2.866 -0.875 -6.058 14 2HG1 ILE 5 HG11 ILE 5 1.995 0.269 -5.037 15 1HG2 ILE 5 HG21 ILE 5 4.850 1.841 -3.473 16 2HG2 ILE 5 HG22 ILE 5 3.272 2.173 -4.186 17 3HG2 ILE 5 HG23 ILE 5 4.730 2.315 -5.168 18 1HD1 ILE 5 HD11 ILE 5 3.898 1.252 -7.153 19 2HD1 ILE 5 HD12 ILE 5 2.548 2.102 -6.400 20 3HD1 ILE 5 HD13 ILE 5 2.240 0.819 -7.569 21 H SER 6 HN SER 6 6.673 1.678 -4.312 22 HA SER 6 HA SER 6 8.247 -0.268 -2.701 23 1HB SER 6 HB2 SER 6 9.907 1.972 -3.450 24 2HB SER 6 HB1 SER 6 10.203 0.252 -3.693 25 HG SER 6 HG SER 6 9.966 1.704 -5.617 26 H CYS 7 HN CYS 7 7.720 0.308 -0.635 27 HA CYS 7 HA CYS 7 7.901 3.189 0.080 28 1HB CYS 7 HB2 CYS 7 5.795 2.765 1.528 29 2HB CYS 7 HB1 CYS 7 5.566 3.016 -0.203 30 H THR 8 HN THR 8 7.495 3.283 2.629 31 HA THR 8 HA THR 8 8.779 0.949 3.951 32 HB THR 8 HB THR 8 10.622 2.477 3.470 33 HG1 THR 8 HG1 THR 8 10.903 1.628 5.436 34 1HG2 THR 8 HG21 THR 8 8.623 4.482 4.391 35 2HG2 THR 8 HG22 THR 8 9.839 4.607 3.119 36 3HG2 THR 8 HG23 THR 8 10.309 4.786 4.809 37 H ASN 9 HN ASN 9 6.109 2.578 3.818 38 HA ASN 9 HA ASN 9 5.617 2.406 6.727 39 1HB ASN 9 HB2 ASN 9 5.033 4.925 5.138 40 2HB ASN 9 HB1 ASN 9 4.628 4.651 6.833 41 1HD2 ASN 9 HD21 ASN 9 6.839 6.266 5.025 42 2HD2 ASN 9 HD22 ASN 9 8.194 6.167 6.043 43 H GLU 10 HN GLU 10 3.291 2.372 7.202 44 HA GLU 10 HA GLU 10 1.793 0.904 5.228 45 1HB GLU 10 HB2 GLU 10 1.618 0.997 7.875 46 2HB GLU 10 HB1 GLU 10 0.428 2.251 7.525 47 1HG GLU 10 HG2 GLU 10 -0.505 0.499 5.805 48 2HG GLU 10 HG1 GLU 10 0.368 -0.663 6.804 49 H LYS 11 HN LYS 11 1.777 4.293 6.269 50 HA LYS 11 HA LYS 11 -0.603 5.006 4.800 51 1HB LYS 11 HB2 LYS 11 0.431 6.340 6.690 52 2HB LYS 11 HB1 LYS 11 1.676 6.851 5.549 53 1HG LYS 11 HG2 LYS 11 0.186 8.096 4.267 54 2HG LYS 11 HG1 LYS 11 -1.209 7.147 4.782 55 1HD LYS 11 HD2 LYS 11 -0.875 8.114 7.105 56 2HD LYS 11 HD1 LYS 11 0.306 9.215 6.393 57 1HE LYS 11 HE2 LYS 11 -1.372 10.148 4.911 58 2HE LYS 11 HE1 LYS 11 -2.558 8.955 5.438 59 1HZ LYS 11 HZ1 LYS 11 -2.992 10.093 7.292 60 2HZ LYS 11 HZ2 LYS 11 -2.256 11.408 6.507 61 3HZ LYS 11 HZ3 LYS 11 -1.361 10.451 7.588 62 H GLN 12 HN GLN 12 2.519 4.187 3.760 63 HA GLN 12 HA GLN 12 2.720 5.975 1.495 64 1HB GLN 12 HB2 GLN 12 4.055 3.399 2.291 65 2HB GLN 12 HB1 GLN 12 4.290 4.052 0.669 66 1HG GLN 12 HG2 GLN 12 4.561 6.177 2.587 67 2HG GLN 12 HG1 GLN 12 5.612 4.839 3.052 68 1HE2 GLN 12 HE21 GLN 12 6.799 7.220 2.121 69 2HE2 GLN 12 HE22 GLN 12 7.471 6.952 0.585 70 H CYS 13 HN CYS 13 0.799 3.222 2.158 71 HA CYS 13 HA CYS 13 0.192 2.928 -0.758 72 1HB CYS 13 HB2 CYS 13 -0.454 0.876 1.363 73 2HB CYS 13 HB1 CYS 13 -0.360 0.651 -0.383 74 H TYR 14 HN TYR 14 -0.920 4.483 1.854 75 HA TYR 14 HA TYR 14 -3.711 3.662 1.845 76 1HB TYR 14 HB2 TYR 14 -2.053 5.641 3.259 77 2HB TYR 14 HB1 TYR 14 -3.706 6.175 2.952 78 HD1 TYR 14 HD1 TYR 14 -2.533 2.677 3.449 79 HD2 TYR 14 HD2 TYR 14 -4.672 6.004 5.124 80 HE1 TYR 14 HE1 TYR 14 -3.340 1.229 5.294 81 HE2 TYR 14 HE2 TYR 14 -5.480 4.556 6.969 82 HH TYR 14 HH TYR 14 -5.126 2.556 8.023 83 HA PRO 15 HA PRO 15 -4.283 7.653 -0.710 84 1HB PRO 15 HB2 PRO 15 -2.018 8.983 -1.524 85 2HB PRO 15 HB1 PRO 15 -2.863 9.326 -0.004 86 1HG PRO 15 HG2 PRO 15 -0.295 7.871 -0.437 87 2HG PRO 15 HG1 PRO 15 -0.847 8.776 0.982 88 1HD PRO 15 HD2 PRO 15 -0.848 5.963 0.717 89 2HD PRO 15 HD1 PRO 15 -1.708 6.893 1.961 90 H HIS 16 HN HIS 16 -1.657 5.474 -1.445 91 HA HIS 16 HA HIS 16 -1.752 5.902 -4.325 92 1HB HIS 16 HB2 HIS 16 0.250 4.885 -4.123 93 2HB HIS 16 HB1 HIS 16 -0.095 4.481 -2.447 94 HD1 HIS 16 HD1 HIS 16 0.033 3.031 -5.869 95 HD2 HIS 16 HD2 HIS 16 -1.262 1.848 -2.087 96 HE1 HIS 16 HE1 HIS 16 -0.322 0.525 -5.983 97 H CYS 17 HN CYS 17 -2.887 3.305 -2.139 98 HA CYS 17 HA CYS 17 -4.286 1.951 -4.309 99 1HB CYS 17 HB2 CYS 17 -3.857 1.519 -1.408 100 2HB CYS 17 HB1 CYS 17 -5.357 0.866 -2.066 101 H LYS 18 HN LYS 18 -5.147 4.255 -1.775 102 HA LYS 18 HA LYS 18 -7.976 3.995 -1.933 103 1HB LYS 18 HB2 LYS 18 -6.730 5.356 -0.224 104 2HB LYS 18 HB1 LYS 18 -6.433 6.564 -1.474 105 1HG LYS 18 HG2 LYS 18 -9.245 5.637 -1.046 106 2HG LYS 18 HG1 LYS 18 -8.546 6.746 0.133 107 1HD LYS 18 HD2 LYS 18 -7.861 7.681 -2.483 108 2HD LYS 18 HD1 LYS 18 -9.597 7.364 -2.446 109 1HE LYS 18 HE2 LYS 18 -9.029 9.682 -1.714 110 2HE LYS 18 HE1 LYS 18 -9.850 8.756 -0.458 111 1HZ LYS 18 HZ1 LYS 18 -7.224 9.867 -0.462 112 2HZ LYS 18 HZ2 LYS 18 -7.194 8.205 -0.107 113 3HZ LYS 18 HZ3 LYS 18 -8.134 9.262 0.834 114 H LYS 19 HN LYS 19 -5.728 6.028 -3.805 115 HA LYS 19 HA LYS 19 -7.887 7.079 -5.474 116 1HB LYS 19 HB2 LYS 19 -5.978 8.508 -5.105 117 2HB LYS 19 HB1 LYS 19 -4.869 7.255 -5.662 118 1HG LYS 19 HG2 LYS 19 -5.137 7.894 -7.802 119 2HG LYS 19 HG1 LYS 19 -6.890 7.749 -7.668 120 1HD LYS 19 HD2 LYS 19 -6.518 10.036 -8.181 121 2HD LYS 19 HD1 LYS 19 -6.809 10.011 -6.440 122 1HE LYS 19 HE2 LYS 19 -4.185 9.698 -6.327 123 2HE LYS 19 HE1 LYS 19 -4.242 10.440 -7.925 124 1HZ LYS 19 HZ1 LYS 19 -5.068 12.390 -7.095 125 2HZ LYS 19 HZ2 LYS 19 -4.079 11.906 -5.801 126 3HZ LYS 19 HZ3 LYS 19 -5.758 11.661 -5.728 127 H GLU 20 HN GLU 20 -5.725 4.351 -5.533 128 HA GLU 20 HA GLU 20 -5.771 3.828 -8.351 129 1HB GLU 20 HB2 GLU 20 -4.691 2.598 -6.048 130 2HB GLU 20 HB1 GLU 20 -5.726 1.386 -6.806 131 1HG GLU 20 HG2 GLU 20 -4.577 2.116 -9.023 132 2HG GLU 20 HG1 GLU 20 -3.348 2.821 -7.974 133 H THR 21 HN THR 21 -7.741 2.397 -5.714 134 HA THR 21 HA THR 21 -9.843 1.880 -7.778 135 HB THR 21 HB THR 21 -9.005 -0.272 -7.226 136 HG1 THR 21 HG1 THR 21 -11.297 -0.020 -7.000 137 1HG2 THR 21 HG21 THR 21 -9.175 -0.597 -4.471 138 2HG2 THR 21 HG22 THR 21 -8.482 1.013 -4.658 139 3HG2 THR 21 HG23 THR 21 -7.690 -0.376 -5.397 140 H GLY 22 HN GLY 22 -9.113 2.755 -4.430 141 1HA GLY 22 HA2 GLY 22 -10.674 4.624 -3.634 142 2HA GLY 22 HA1 GLY 22 -11.982 3.543 -4.112 143 H TYR 23 HN TYR 23 -8.980 2.539 -2.523 144 HA TYR 23 HA TYR 23 -10.486 2.098 -0.001 145 1HB TYR 23 HB2 TYR 23 -9.425 0.018 -1.823 146 2HB TYR 23 HB1 TYR 23 -9.070 -0.213 -0.111 147 HD1 TYR 23 HD1 TYR 23 -10.828 -0.650 1.497 148 HD2 TYR 23 HD2 TYR 23 -11.759 0.126 -2.623 149 HE1 TYR 23 HE1 TYR 23 -13.148 -1.441 1.873 150 HE2 TYR 23 HE2 TYR 23 -14.079 -0.664 -2.247 151 HH TYR 23 HH TYR 23 -15.112 -1.877 0.944 152 HA PRO 24 HA PRO 24 -6.446 3.670 1.190 153 1HB PRO 24 HB2 PRO 24 -7.236 4.393 3.723 154 2HB PRO 24 HB1 PRO 24 -7.522 5.390 2.287 155 1HG PRO 24 HG2 PRO 24 -9.457 3.739 3.840 156 2HG PRO 24 HG1 PRO 24 -9.754 5.171 2.840 157 1HD PRO 24 HD2 PRO 24 -10.244 2.482 2.087 158 2HD PRO 24 HD1 PRO 24 -10.243 3.890 1.004 159 H ASN 25 HN ASN 25 -8.203 0.986 2.255 160 HA ASN 25 HA ASN 25 -6.572 0.231 4.536 161 1HB ASN 25 HB2 ASN 25 -8.910 -0.753 3.208 162 2HB ASN 25 HB1 ASN 25 -7.740 -2.069 3.311 163 1HD2 ASN 25 HD21 ASN 25 -6.456 -1.526 5.744 164 2HD2 ASN 25 HD22 ASN 25 -7.579 -1.601 7.014 165 H ALA 26 HN ALA 26 -4.383 0.183 3.959 166 HA ALA 26 HA ALA 26 -3.587 -2.081 2.236 167 1HB ALA 26 HB1 ALA 26 -3.706 -0.210 0.656 168 2HB ALA 26 HB2 ALA 26 -2.022 -0.660 0.928 169 3HB ALA 26 HB3 ALA 26 -2.692 0.769 1.715 170 H LYS 27 HN LYS 27 -1.217 -2.527 2.463 171 HA LYS 27 HA LYS 27 0.011 -1.265 4.863 172 1HB LYS 27 HB2 LYS 27 0.757 -3.711 5.438 173 2HB LYS 27 HB1 LYS 27 -0.859 -3.175 5.904 174 1HG LYS 27 HG2 LYS 27 -1.848 -4.660 4.520 175 2HG LYS 27 HG1 LYS 27 -0.794 -4.213 3.178 176 1HD LYS 27 HD2 LYS 27 0.845 -5.774 3.771 177 2HD LYS 27 HD1 LYS 27 0.281 -5.876 5.440 178 1HE LYS 27 HE2 LYS 27 -1.705 -6.670 3.396 179 2HE LYS 27 HE1 LYS 27 -0.304 -7.732 3.531 180 1HZ LYS 27 HZ1 LYS 27 -1.152 -7.045 6.109 181 2HZ LYS 27 HZ2 LYS 27 -1.156 -8.576 5.371 182 3HZ LYS 27 HZ3 LYS 27 -2.512 -7.560 5.236 183 H CYS 28 HN CYS 28 2.184 -0.909 4.572 184 HA CYS 28 HA CYS 28 3.374 -1.807 2.019 185 1HB CYS 28 HB2 CYS 28 3.605 0.567 2.789 186 2HB CYS 28 HB1 CYS 28 4.552 -0.010 4.161 187 H MET 29 HN MET 29 4.463 -3.707 2.002 188 HA MET 29 HA MET 29 6.112 -4.406 4.386 189 1HB MET 29 HB2 MET 29 5.422 -6.819 3.981 190 2HB MET 29 HB1 MET 29 4.151 -5.777 4.623 191 1HG MET 29 HG2 MET 29 2.914 -5.895 2.713 192 2HG MET 29 HG1 MET 29 4.337 -5.837 1.673 193 1HE MET 29 HE1 MET 29 2.612 -9.148 4.105 194 2HE MET 29 HE2 MET 29 1.541 -8.687 2.785 195 3HE MET 29 HE3 MET 29 2.123 -7.460 3.907 196 H ASN 30 HN ASN 30 8.168 -4.873 3.784 197 HA ASN 30 HA ASN 30 10.008 -5.246 2.375 198 1HB ASN 30 HB2 ASN 30 8.353 -7.446 2.286 199 2HB ASN 30 HB1 ASN 30 8.553 -7.060 0.576 200 1HD2 ASN 30 HD21 ASN 30 10.533 -7.639 -0.390 201 2HD2 ASN 30 HD22 ASN 30 11.883 -8.205 0.469 202 H ARG 31 HN ARG 31 8.948 -2.914 1.642 203 HA ARG 31 HA ARG 31 8.576 -1.443 -0.157 204 1HB ARG 31 HB2 ARG 31 10.586 -3.452 -1.052 205 2HB ARG 31 HB1 ARG 31 9.883 -2.420 -2.297 206 1HG ARG 31 HG2 ARG 31 10.394 -0.489 -0.586 207 2HG ARG 31 HG1 ARG 31 11.543 -1.649 0.083 208 1HD ARG 31 HD2 ARG 31 11.845 -1.725 -2.740 209 2HD ARG 31 HD1 ARG 31 11.811 -0.024 -2.273 210 HE ARG 31 HE ARG 31 13.578 -0.907 -0.478 211 1HH1 ARG 31 HH11 ARG 31 14.166 -0.026 -3.467 212 2HH1 ARG 31 HH12 ARG 31 15.385 -1.193 -3.857 213 1HH2 ARG 31 HH21 ARG 31 14.729 -3.192 -1.101 214 2HH2 ARG 31 HH22 ARG 31 15.705 -2.985 -2.516 215 H LYS 32 HN LYS 32 6.473 -3.360 0.210 216 HA LYS 32 HA LYS 32 5.523 -3.526 -2.609 217 1HB LYS 32 HB2 LYS 32 6.219 -5.764 -0.972 218 2HB LYS 32 HB1 LYS 32 4.466 -5.757 -1.172 219 1HG LYS 32 HG2 LYS 32 5.176 -6.934 -3.070 220 2HG LYS 32 HG1 LYS 32 5.011 -5.289 -3.688 221 1HD LYS 32 HD2 LYS 32 7.134 -5.968 -4.468 222 2HD LYS 32 HD1 LYS 32 7.502 -5.013 -3.032 223 1HE LYS 32 HE2 LYS 32 8.394 -6.794 -1.976 224 2HE LYS 32 HE1 LYS 32 6.993 -7.797 -2.354 225 1HZ LYS 32 HZ1 LYS 32 8.739 -7.192 -4.586 226 2HZ LYS 32 HZ2 LYS 32 7.976 -8.650 -4.164 227 3HZ LYS 32 HZ3 LYS 32 9.417 -8.185 -3.390 228 H CYS 33 HN CYS 33 3.747 -2.235 -2.624 229 HA CYS 33 HA CYS 33 2.216 -1.714 -0.200 230 1HB CYS 33 HB2 CYS 33 2.084 -0.830 -3.060 231 2HB CYS 33 HB1 CYS 33 0.661 -0.610 -2.041 232 H LYS 34 HN LYS 34 1.418 -3.819 0.379 233 HA LYS 34 HA LYS 34 -0.351 -5.197 -1.547 234 1HB LYS 34 HB2 LYS 34 1.210 -5.985 0.711 235 2HB LYS 34 HB1 LYS 34 -0.477 -6.351 1.070 236 1HG LYS 34 HG2 LYS 34 -0.213 -8.206 -0.191 237 2HG LYS 34 HG1 LYS 34 -0.182 -7.128 -1.588 238 1HD LYS 34 HD2 LYS 34 2.396 -6.931 -0.587 239 2HD LYS 34 HD1 LYS 34 2.005 -8.636 -0.357 240 1HE LYS 34 HE2 LYS 34 1.024 -8.274 -2.854 241 2HE LYS 34 HE1 LYS 34 2.334 -7.093 -2.872 242 1HZ LYS 34 HZ1 LYS 34 2.473 -10.011 -2.499 243 2HZ LYS 34 HZ2 LYS 34 3.697 -9.016 -1.867 244 3HZ LYS 34 HZ3 LYS 34 3.378 -9.020 -3.535 245 H CYS 35 HN CYS 35 -2.341 -4.245 -1.727 246 HA CYS 35 HA CYS 35 -3.620 -3.195 0.750 247 1HB CYS 35 HB2 CYS 35 -4.564 -2.814 -2.097 248 2HB CYS 35 HB1 CYS 35 -5.028 -1.883 -0.673 249 H PHE 36 HN PHE 36 -6.119 -3.496 0.687 250 HA PHE 36 HA PHE 36 -6.981 -6.037 -0.536 251 1HB PHE 36 HB2 PHE 36 -6.663 -5.619 2.437 252 2HB PHE 36 HB1 PHE 36 -7.829 -6.776 1.794 253 HD1 PHE 36 HD1 PHE 36 -4.830 -6.813 3.271 254 HD2 PHE 36 HD2 PHE 36 -6.525 -7.928 -0.515 255 HE1 PHE 36 HE1 PHE 36 -3.011 -8.467 2.943 256 HE2 PHE 36 HE2 PHE 36 -4.707 -9.582 -0.843 257 HZ PHE 36 HZ PHE 36 -2.950 -9.851 0.885 258 H GLY 37 HN GLY 37 -8.012 -3.759 -1.352 259 1HA GLY 37 HA2 GLY 37 -10.534 -3.385 0.214 260 2HA GLY 37 HA1 GLY 37 -9.793 -2.109 -0.752 261 H ARG 38 HN ARG 38 -10.689 -5.530 -1.347 262 HA ARG 38 HA ARG 38 -12.661 -4.794 -3.343 263 1HB ARG 38 HB2 ARG 38 -11.381 -5.889 -5.253 264 2HB ARG 38 HB1 ARG 38 -10.772 -4.313 -4.746 265 1HG ARG 38 HG2 ARG 38 -8.761 -5.325 -4.537 266 2HG ARG 38 HG1 ARG 38 -9.420 -6.074 -3.083 267 1HD ARG 38 HD2 ARG 38 -10.055 -8.046 -4.266 268 2HD ARG 38 HD1 ARG 38 -9.804 -7.273 -5.832 269 HE ARG 38 HE ARG 38 -7.686 -8.327 -4.063 270 1HH1 ARG 38 HH11 ARG 38 -8.408 -6.001 -6.467 271 2HH1 ARG 38 HH12 ARG 38 -6.967 -6.287 -7.383 272 1HH2 ARG 38 HH21 ARG 38 -5.908 -8.925 -5.394 273 2HH2 ARG 38 HH22 ARG 38 -5.553 -7.945 -6.778 Start of MODEL 10 1 1H THR 4 HT1 THR 4 3.422 -4.398 -6.507 2 2H THR 4 HT2 THR 4 4.807 -3.563 -5.987 3 3H THR 4 HT3 THR 4 4.533 -3.810 -7.646 4 HA THR 4 HA THR 4 2.784 -2.289 -7.728 5 HB THR 4 HB THR 4 2.837 -1.807 -4.775 6 HG1 THR 4 HG1 THR 4 1.309 -3.863 -5.976 7 1HG2 THR 4 HG21 THR 4 1.130 -1.277 -7.097 8 2HG2 THR 4 HG22 THR 4 1.220 -0.431 -5.553 9 3HG2 THR 4 HG23 THR 4 0.235 -1.885 -5.704 10 H ILE 5 HN ILE 5 3.034 -0.030 -5.727 11 HA ILE 5 HA ILE 5 5.184 1.357 -6.991 12 HB ILE 5 HB ILE 5 4.705 3.052 -5.223 13 1HG1 ILE 5 HG12 ILE 5 2.355 1.998 -4.095 14 2HG1 ILE 5 HG11 ILE 5 3.562 0.719 -3.955 15 1HG2 ILE 5 HG21 ILE 5 2.182 1.900 -6.419 16 2HG2 ILE 5 HG22 ILE 5 3.363 2.820 -7.352 17 3HG2 ILE 5 HG23 ILE 5 2.499 3.589 -6.020 18 1HD1 ILE 5 HD11 ILE 5 4.676 1.839 -2.344 19 2HD1 ILE 5 HD12 ILE 5 3.310 2.953 -2.285 20 3HD1 ILE 5 HD13 ILE 5 4.701 3.316 -3.306 21 H SER 6 HN SER 6 6.595 2.628 -5.025 22 HA SER 6 HA SER 6 7.987 0.400 -3.588 23 1HB SER 6 HB2 SER 6 9.360 2.905 -4.562 24 2HB SER 6 HB1 SER 6 10.090 1.377 -4.073 25 HG SER 6 HG SER 6 8.803 2.094 -6.450 26 H CYS 7 HN CYS 7 6.852 0.833 -1.629 27 HA CYS 7 HA CYS 7 7.395 3.523 -0.435 28 1HB CYS 7 HB2 CYS 7 5.416 3.099 0.988 29 2HB CYS 7 HB1 CYS 7 4.996 3.052 -0.724 30 H THR 8 HN THR 8 7.026 3.091 2.177 31 HA THR 8 HA THR 8 8.647 0.722 2.955 32 HB THR 8 HB THR 8 10.060 2.151 4.410 33 HG1 THR 8 HG1 THR 8 9.733 4.250 4.521 34 1HG2 THR 8 HG21 THR 8 11.222 1.768 2.456 35 2HG2 THR 8 HG22 THR 8 11.069 3.522 2.355 36 3HG2 THR 8 HG23 THR 8 9.967 2.487 1.446 37 H ASN 9 HN ASN 9 6.836 3.573 4.117 38 HA ASN 9 HA ASN 9 6.106 2.112 6.580 39 1HB ASN 9 HB2 ASN 9 6.620 4.741 6.158 40 2HB ASN 9 HB1 ASN 9 4.864 4.740 5.981 41 1HD2 ASN 9 HD21 ASN 9 7.504 4.000 8.258 42 2HD2 ASN 9 HD22 ASN 9 6.525 3.977 9.644 43 H GLU 10 HN GLU 10 3.787 1.916 7.168 44 HA GLU 10 HA GLU 10 2.245 0.832 4.983 45 1HB GLU 10 HB2 GLU 10 0.460 0.577 6.693 46 2HB GLU 10 HB1 GLU 10 2.012 -0.037 7.263 47 1HG GLU 10 HG2 GLU 10 2.270 2.471 8.134 48 2HG GLU 10 HG1 GLU 10 0.507 2.399 8.117 49 H LYS 11 HN LYS 11 2.544 4.001 6.331 50 HA LYS 11 HA LYS 11 -0.068 4.974 5.536 51 1HB LYS 11 HB2 LYS 11 1.347 6.065 7.278 52 2HB LYS 11 HB1 LYS 11 2.480 6.543 6.014 53 1HG LYS 11 HG2 LYS 11 1.004 8.072 5.075 54 2HG LYS 11 HG1 LYS 11 -0.419 7.229 5.689 55 1HD LYS 11 HD2 LYS 11 -0.195 8.128 7.833 56 2HD LYS 11 HD1 LYS 11 1.525 8.459 7.621 57 1HE LYS 11 HE2 LYS 11 0.998 10.569 7.046 58 2HE LYS 11 HE1 LYS 11 0.188 9.934 5.613 59 1HZ LYS 11 HZ1 LYS 11 -0.944 11.038 7.975 60 2HZ LYS 11 HZ2 LYS 11 -1.545 9.475 7.692 61 3HZ LYS 11 HZ3 LYS 11 -1.689 10.672 6.496 62 H GLN 12 HN GLN 12 2.909 4.407 3.840 63 HA GLN 12 HA GLN 12 2.458 6.335 1.727 64 1HB GLN 12 HB2 GLN 12 4.350 4.146 2.282 65 2HB GLN 12 HB1 GLN 12 4.012 4.400 0.570 66 1HG GLN 12 HG2 GLN 12 5.156 6.346 0.534 67 2HG GLN 12 HG1 GLN 12 4.381 6.914 2.012 68 1HE2 GLN 12 HE21 GLN 12 7.150 5.079 0.761 69 2HE2 GLN 12 HE22 GLN 12 8.021 5.069 2.219 70 H CYS 13 HN CYS 13 1.015 3.314 2.469 71 HA CYS 13 HA CYS 13 0.201 2.872 -0.353 72 1HB CYS 13 HB2 CYS 13 -0.369 1.233 2.137 73 2HB CYS 13 HB1 CYS 13 -0.778 0.769 0.485 74 H TYR 14 HN TYR 14 -0.875 4.556 2.348 75 HA TYR 14 HA TYR 14 -3.687 4.089 2.294 76 1HB TYR 14 HB2 TYR 14 -1.862 6.117 3.395 77 2HB TYR 14 HB1 TYR 14 -3.474 6.729 3.019 78 HD1 TYR 14 HD1 TYR 14 -5.165 4.374 3.478 79 HD2 TYR 14 HD2 TYR 14 -1.818 5.842 5.735 80 HE1 TYR 14 HE1 TYR 14 -6.060 3.282 5.517 81 HE2 TYR 14 HE2 TYR 14 -2.713 4.750 7.774 82 HH TYR 14 HH TYR 14 -4.900 3.973 8.630 83 HA PRO 15 HA PRO 15 -4.016 7.775 -0.744 84 1HB PRO 15 HB2 PRO 15 -1.679 8.755 -1.801 85 2HB PRO 15 HB1 PRO 15 -2.413 9.368 -0.309 86 1HG PRO 15 HG2 PRO 15 -0.035 7.585 -0.644 87 2HG PRO 15 HG1 PRO 15 -0.392 8.748 0.644 88 1HD PRO 15 HD2 PRO 15 -0.703 5.964 0.837 89 2HD PRO 15 HD1 PRO 15 -1.441 7.159 1.926 90 H HIS 16 HN HIS 16 -1.261 5.640 -1.500 91 HA HIS 16 HA HIS 16 -1.726 5.623 -4.337 92 1HB HIS 16 HB2 HIS 16 0.383 4.832 -4.003 93 2HB HIS 16 HB1 HIS 16 0.000 4.216 -2.401 94 HD1 HIS 16 HD1 HIS 16 -0.210 3.259 -6.058 95 HD2 HIS 16 HD2 HIS 16 -0.631 1.498 -2.306 96 HE1 HIS 16 HE1 HIS 16 -0.383 0.763 -6.458 97 H CYS 17 HN CYS 17 -2.397 3.062 -1.898 98 HA CYS 17 HA CYS 17 -3.925 1.419 -3.627 99 1HB CYS 17 HB2 CYS 17 -3.845 1.784 -0.652 100 2HB CYS 17 HB1 CYS 17 -5.137 0.816 -1.354 101 H LYS 18 HN LYS 18 -4.916 4.188 -1.634 102 HA LYS 18 HA LYS 18 -7.723 3.989 -2.069 103 1HB LYS 18 HB2 LYS 18 -6.961 5.545 -0.422 104 2HB LYS 18 HB1 LYS 18 -5.889 6.345 -1.570 105 1HG LYS 18 HG2 LYS 18 -7.852 7.119 -2.860 106 2HG LYS 18 HG1 LYS 18 -8.919 6.342 -1.689 107 1HD LYS 18 HD2 LYS 18 -7.925 7.761 0.106 108 2HD LYS 18 HD1 LYS 18 -6.959 8.585 -1.118 109 1HE LYS 18 HE2 LYS 18 -9.989 8.484 -1.018 110 2HE LYS 18 HE1 LYS 18 -8.986 9.881 -0.626 111 1HZ LYS 18 HZ1 LYS 18 -9.813 10.033 -2.877 112 2HZ LYS 18 HZ2 LYS 18 -9.138 8.524 -3.264 113 3HZ LYS 18 HZ3 LYS 18 -8.128 9.839 -2.895 114 H LYS 19 HN LYS 19 -5.151 5.507 -3.991 115 HA LYS 19 HA LYS 19 -7.005 6.543 -5.987 116 1HB LYS 19 HB2 LYS 19 -4.847 7.646 -5.626 117 2HB LYS 19 HB1 LYS 19 -3.996 6.162 -6.060 118 1HG LYS 19 HG2 LYS 19 -4.264 6.529 -8.277 119 2HG LYS 19 HG1 LYS 19 -5.955 6.990 -8.080 120 1HD LYS 19 HD2 LYS 19 -4.277 9.017 -6.916 121 2HD LYS 19 HD1 LYS 19 -3.750 8.702 -8.570 122 1HE LYS 19 HE2 LYS 19 -5.855 9.243 -9.476 123 2HE LYS 19 HE1 LYS 19 -6.674 9.045 -7.927 124 1HZ LYS 19 HZ1 LYS 19 -6.410 11.376 -8.488 125 2HZ LYS 19 HZ2 LYS 19 -4.725 11.185 -8.595 126 3HZ LYS 19 HZ3 LYS 19 -5.511 10.994 -7.102 127 H GLU 20 HN GLU 20 -5.644 3.482 -5.338 128 HA GLU 20 HA GLU 20 -5.589 2.552 -8.107 129 1HB GLU 20 HB2 GLU 20 -4.235 1.629 -6.090 130 2HB GLU 20 HB1 GLU 20 -5.715 0.756 -5.690 131 1HG GLU 20 HG2 GLU 20 -4.265 -0.647 -7.088 132 2HG GLU 20 HG1 GLU 20 -5.733 -0.223 -7.970 133 H THR 21 HN THR 21 -7.552 1.469 -5.308 134 HA THR 21 HA THR 21 -9.771 0.959 -7.250 135 HB THR 21 HB THR 21 -8.899 -1.066 -6.107 136 HG1 THR 21 HG1 THR 21 -11.296 -0.431 -6.453 137 1HG2 THR 21 HG21 THR 21 -8.648 -1.226 -3.836 138 2HG2 THR 21 HG22 THR 21 -10.021 -0.171 -3.504 139 3HG2 THR 21 HG23 THR 21 -8.470 0.524 -3.972 140 H GLY 22 HN GLY 22 -8.902 2.374 -4.136 141 1HA GLY 22 HA2 GLY 22 -10.290 4.537 -3.792 142 2HA GLY 22 HA1 GLY 22 -11.678 3.454 -3.909 143 H TYR 23 HN TYR 23 -9.626 1.468 -2.508 144 HA TYR 23 HA TYR 23 -10.576 2.173 0.202 145 1HB TYR 23 HB2 TYR 23 -9.563 -0.301 -1.130 146 2HB TYR 23 HB1 TYR 23 -9.339 -0.155 0.613 147 HD1 TYR 23 HD1 TYR 23 -11.053 -0.893 1.997 148 HD2 TYR 23 HD2 TYR 23 -11.996 0.432 -1.977 149 HE1 TYR 23 HE1 TYR 23 -13.429 -1.504 2.359 150 HE2 TYR 23 HE2 TYR 23 -14.373 -0.178 -1.618 151 HH TYR 23 HH TYR 23 -15.574 -1.988 0.052 152 HA PRO 24 HA PRO 24 -6.483 3.766 1.014 153 1HB PRO 24 HB2 PRO 24 -7.054 4.622 3.564 154 2HB PRO 24 HB1 PRO 24 -7.510 5.520 2.105 155 1HG PRO 24 HG2 PRO 24 -9.231 3.913 3.933 156 2HG PRO 24 HG1 PRO 24 -9.670 5.272 2.884 157 1HD PRO 24 HD2 PRO 24 -10.135 2.527 2.342 158 2HD PRO 24 HD1 PRO 24 -10.290 3.866 1.185 159 H ASN 25 HN ASN 25 -8.239 1.402 2.912 160 HA ASN 25 HA ASN 25 -6.206 0.728 4.803 161 1HB ASN 25 HB2 ASN 25 -8.738 -0.066 4.516 162 2HB ASN 25 HB1 ASN 25 -7.963 -1.418 3.690 163 1HD2 ASN 25 HD21 ASN 25 -9.139 -2.264 5.931 164 2HD2 ASN 25 HD22 ASN 25 -8.049 -2.451 7.218 165 H ALA 26 HN ALA 26 -4.154 0.412 3.981 166 HA ALA 26 HA ALA 26 -3.833 -1.889 2.114 167 1HB ALA 26 HB1 ALA 26 -2.467 0.810 1.861 168 2HB ALA 26 HB2 ALA 26 -3.635 0.120 0.735 169 3HB ALA 26 HB3 ALA 26 -2.045 -0.620 0.919 170 H LYS 27 HN LYS 27 -1.146 -2.082 1.978 171 HA LYS 27 HA LYS 27 -0.006 -1.724 4.684 172 1HB LYS 27 HB2 LYS 27 -0.706 -4.368 3.452 173 2HB LYS 27 HB1 LYS 27 0.739 -4.249 4.455 174 1HG LYS 27 HG2 LYS 27 -0.504 -4.252 6.329 175 2HG LYS 27 HG1 LYS 27 -1.448 -2.881 5.746 176 1HD LYS 27 HD2 LYS 27 -2.868 -4.419 4.433 177 2HD LYS 27 HD1 LYS 27 -1.932 -5.788 5.031 178 1HE LYS 27 HE2 LYS 27 -3.699 -3.917 6.621 179 2HE LYS 27 HE1 LYS 27 -3.865 -5.662 6.432 180 1HZ LYS 27 HZ1 LYS 27 -1.896 -4.151 8.019 181 2HZ LYS 27 HZ2 LYS 27 -1.533 -5.721 7.479 182 3HZ LYS 27 HZ3 LYS 27 -2.873 -5.456 8.489 183 H CYS 28 HN CYS 28 2.074 -1.065 4.419 184 HA CYS 28 HA CYS 28 3.358 -1.506 1.778 185 1HB CYS 28 HB2 CYS 28 3.294 0.800 2.713 186 2HB CYS 28 HB1 CYS 28 4.236 0.243 4.096 187 H MET 29 HN MET 29 4.391 -3.463 1.745 188 HA MET 29 HA MET 29 6.232 -4.061 4.024 189 1HB MET 29 HB2 MET 29 4.030 -5.578 3.227 190 2HB MET 29 HB1 MET 29 5.404 -6.401 2.489 191 1HG MET 29 HG2 MET 29 6.424 -6.830 4.549 192 2HG MET 29 HG1 MET 29 5.562 -5.522 5.358 193 1HE MET 29 HE1 MET 29 5.040 -9.725 5.041 194 2HE MET 29 HE2 MET 29 5.199 -9.053 6.663 195 3HE MET 29 HE3 MET 29 6.325 -8.562 5.400 196 H ASN 30 HN ASN 30 8.326 -4.348 3.421 197 HA ASN 30 HA ASN 30 10.173 -4.176 1.954 198 1HB ASN 30 HB2 ASN 30 10.068 -6.196 0.288 199 2HB ASN 30 HB1 ASN 30 10.157 -6.510 2.022 200 1HD2 ASN 30 HD21 ASN 30 8.108 -6.766 -0.817 201 2HD2 ASN 30 HD22 ASN 30 6.820 -7.561 -0.050 202 H ARG 31 HN ARG 31 8.647 -2.169 1.130 203 HA ARG 31 HA ARG 31 8.103 -0.848 -0.731 204 1HB ARG 31 HB2 ARG 31 9.840 -2.852 -2.199 205 2HB ARG 31 HB1 ARG 31 9.435 -1.223 -2.741 206 1HG ARG 31 HG2 ARG 31 11.009 -0.278 -1.418 207 2HG ARG 31 HG1 ARG 31 10.561 -1.277 -0.035 208 1HD ARG 31 HD2 ARG 31 12.070 -2.461 -2.358 209 2HD ARG 31 HD1 ARG 31 12.922 -1.608 -1.072 210 HE ARG 31 HE ARG 31 11.444 -3.348 0.381 211 1HH1 ARG 31 HH11 ARG 31 11.976 -4.324 -2.741 212 2HH1 ARG 31 HH12 ARG 31 12.938 -5.710 -2.354 213 1HH2 ARG 31 HH21 ARG 31 13.242 -4.892 1.002 214 2HH2 ARG 31 HH22 ARG 31 13.651 -6.036 -0.233 215 H LYS 32 HN LYS 32 6.091 -2.637 -0.111 216 HA LYS 32 HA LYS 32 5.022 -3.224 -2.820 217 1HB LYS 32 HB2 LYS 32 5.991 -5.244 -1.121 218 2HB LYS 32 HB1 LYS 32 4.235 -5.303 -0.955 219 1HG LYS 32 HG2 LYS 32 3.983 -6.156 -3.028 220 2HG LYS 32 HG1 LYS 32 5.037 -4.928 -3.731 221 1HD LYS 32 HD2 LYS 32 7.016 -6.222 -2.936 222 2HD LYS 32 HD1 LYS 32 5.926 -7.479 -2.353 223 1HE LYS 32 HE2 LYS 32 6.481 -6.641 -5.195 224 2HE LYS 32 HE1 LYS 32 6.552 -8.255 -4.488 225 1HZ LYS 32 HZ1 LYS 32 4.095 -8.020 -4.111 226 2HZ LYS 32 HZ2 LYS 32 4.577 -8.160 -5.734 227 3HZ LYS 32 HZ3 LYS 32 4.145 -6.644 -5.102 228 H CYS 33 HN CYS 33 3.196 -1.973 -2.844 229 HA CYS 33 HA CYS 33 1.724 -1.531 -0.317 230 1HB CYS 33 HB2 CYS 33 1.760 -0.249 -3.016 231 2HB CYS 33 HB1 CYS 33 0.274 -0.137 -2.079 232 H LYS 34 HN LYS 34 0.451 -3.292 0.154 233 HA LYS 34 HA LYS 34 -1.132 -4.525 -2.040 234 1HB LYS 34 HB2 LYS 34 -0.013 -5.456 0.480 235 2HB LYS 34 HB1 LYS 34 -1.734 -5.829 0.369 236 1HG LYS 34 HG2 LYS 34 -0.658 -7.679 -0.656 237 2HG LYS 34 HG1 LYS 34 -1.216 -6.687 -2.004 238 1HD LYS 34 HD2 LYS 34 0.903 -6.552 -2.746 239 2HD LYS 34 HD1 LYS 34 1.339 -5.700 -1.264 240 1HE LYS 34 HE2 LYS 34 1.049 -8.637 -1.004 241 2HE LYS 34 HE1 LYS 34 2.413 -8.090 -1.979 242 1HZ LYS 34 HZ1 LYS 34 1.788 -7.212 0.788 243 2HZ LYS 34 HZ2 LYS 34 3.085 -6.649 -0.151 244 3HZ LYS 34 HZ3 LYS 34 3.031 -8.275 0.341 245 H CYS 35 HN CYS 35 -3.235 -3.935 -2.298 246 HA CYS 35 HA CYS 35 -4.472 -2.238 -0.204 247 1HB CYS 35 HB2 CYS 35 -5.703 -2.892 -2.874 248 2HB CYS 35 HB1 CYS 35 -5.931 -1.453 -1.877 249 H PHE 36 HN PHE 36 -6.652 -2.688 0.542 250 HA PHE 36 HA PHE 36 -7.102 -5.421 1.245 251 1HB PHE 36 HB2 PHE 36 -8.532 -2.857 1.558 252 2HB PHE 36 HB1 PHE 36 -9.580 -4.275 1.509 253 HD1 PHE 36 HD1 PHE 36 -10.209 -4.726 3.725 254 HD2 PHE 36 HD2 PHE 36 -6.098 -3.865 2.824 255 HE1 PHE 36 HE1 PHE 36 -9.581 -5.283 6.060 256 HE2 PHE 36 HE2 PHE 36 -5.470 -4.422 5.157 257 HZ PHE 36 HZ PHE 36 -7.211 -5.131 6.774 258 H GLY 37 HN GLY 37 -8.862 -3.341 -1.080 259 1HA GLY 37 HA2 GLY 37 -9.733 -4.003 -3.194 260 2HA GLY 37 HA1 GLY 37 -9.265 -5.666 -2.837 261 H ARG 38 HN ARG 38 -10.697 -5.008 -0.087 262 HA ARG 38 HA ARG 38 -13.292 -6.093 -0.995 263 1HB ARG 38 HB2 ARG 38 -12.232 -5.568 1.800 264 2HB ARG 38 HB1 ARG 38 -13.727 -6.423 1.414 265 1HG ARG 38 HG2 ARG 38 -10.929 -7.272 0.602 266 2HG ARG 38 HG1 ARG 38 -11.925 -8.033 1.843 267 1HD ARG 38 HD2 ARG 38 -12.550 -7.870 -1.120 268 2HD ARG 38 HD1 ARG 38 -12.113 -9.321 -0.216 269 HE ARG 38 HE ARG 38 -14.281 -9.117 0.978 270 1HH1 ARG 38 HH11 ARG 38 -14.074 -8.434 -2.269 271 2HH1 ARG 38 HH12 ARG 38 -15.594 -7.611 -2.390 272 1HH2 ARG 38 HH21 ARG 38 -16.116 -7.510 1.036 273 2HH2 ARG 38 HH22 ARG 38 -16.751 -7.093 -0.521 Start of MODEL 11 1 1H THR 4 HT1 THR 4 7.870 -2.601 -8.213 2 2H THR 4 HT2 THR 4 7.044 -3.846 -9.021 3 3H THR 4 HT3 THR 4 7.178 -3.870 -7.328 4 HA THR 4 HA THR 4 5.332 -2.421 -9.023 5 HB THR 4 HB THR 4 5.037 -2.863 -6.078 6 HG1 THR 4 HG1 THR 4 5.036 -4.961 -6.262 7 1HG2 THR 4 HG21 THR 4 3.382 -2.377 -8.406 8 2HG2 THR 4 HG22 THR 4 2.954 -2.285 -6.698 9 3HG2 THR 4 HG23 THR 4 2.853 -3.825 -7.551 10 H ILE 5 HN ILE 5 4.401 -0.999 -6.491 11 HA ILE 5 HA ILE 5 5.581 1.528 -7.016 12 HB ILE 5 HB ILE 5 4.455 2.165 -4.878 13 1HG1 ILE 5 HG12 ILE 5 2.934 -0.114 -4.333 14 2HG1 ILE 5 HG11 ILE 5 4.582 -0.711 -4.521 15 1HG2 ILE 5 HG21 ILE 5 2.517 0.438 -6.346 16 2HG2 ILE 5 HG22 ILE 5 3.329 1.724 -7.239 17 3HG2 ILE 5 HG23 ILE 5 2.347 2.115 -5.826 18 1HD1 ILE 5 HD11 ILE 5 3.707 1.547 -2.694 19 2HD1 ILE 5 HD12 ILE 5 5.371 1.003 -2.910 20 3HD1 ILE 5 HD13 ILE 5 4.179 -0.075 -2.184 21 H SER 6 HN SER 6 6.327 2.641 -4.628 22 HA SER 6 HA SER 6 8.420 0.928 -3.426 23 1HB SER 6 HB2 SER 6 10.119 2.774 -3.798 24 2HB SER 6 HB1 SER 6 9.653 1.895 -5.251 25 HG SER 6 HG SER 6 9.638 4.368 -5.149 26 H CYS 7 HN CYS 7 7.045 1.196 -1.542 27 HA CYS 7 HA CYS 7 7.150 3.950 -0.379 28 1HB CYS 7 HB2 CYS 7 5.194 3.192 1.011 29 2HB CYS 7 HB1 CYS 7 4.854 3.254 -0.718 30 H THR 8 HN THR 8 7.212 3.892 2.088 31 HA THR 8 HA THR 8 8.738 1.539 3.103 32 HB THR 8 HB THR 8 10.359 3.311 2.516 33 HG1 THR 8 HG1 THR 8 10.217 3.508 5.281 34 1HG2 THR 8 HG21 THR 8 9.875 5.482 2.837 35 2HG2 THR 8 HG22 THR 8 9.673 5.211 4.568 36 3HG2 THR 8 HG23 THR 8 8.303 5.002 3.477 37 H ASN 9 HN ASN 9 5.989 3.135 3.393 38 HA ASN 9 HA ASN 9 5.759 2.532 6.272 39 1HB ASN 9 HB2 ASN 9 6.412 5.091 5.630 40 2HB ASN 9 HB1 ASN 9 4.653 5.185 5.533 41 1HD2 ASN 9 HD21 ASN 9 7.367 4.820 7.727 42 2HD2 ASN 9 HD22 ASN 9 6.454 4.805 9.158 43 H GLU 10 HN GLU 10 3.536 2.263 6.911 44 HA GLU 10 HA GLU 10 1.805 1.246 4.884 45 1HB GLU 10 HB2 GLU 10 0.099 1.163 6.655 46 2HB GLU 10 HB1 GLU 10 1.650 0.591 7.271 47 1HG GLU 10 HG2 GLU 10 1.836 3.274 7.778 48 2HG GLU 10 HG1 GLU 10 0.109 3.001 8.004 49 H LYS 11 HN LYS 11 2.247 4.450 6.190 50 HA LYS 11 HA LYS 11 -0.272 5.522 5.230 51 1HB LYS 11 HB2 LYS 11 0.881 6.652 7.040 52 2HB LYS 11 HB1 LYS 11 2.329 6.847 6.053 53 1HG LYS 11 HG2 LYS 11 1.320 8.945 5.844 54 2HG LYS 11 HG1 LYS 11 0.714 8.110 4.414 55 1HD LYS 11 HD2 LYS 11 -0.958 7.608 6.749 56 2HD LYS 11 HD1 LYS 11 -0.838 9.329 6.385 57 1HE LYS 11 HE2 LYS 11 -1.158 8.243 3.880 58 2HE LYS 11 HE1 LYS 11 -2.162 7.182 4.869 59 1HZ LYS 11 HZ1 LYS 11 -3.296 9.104 5.752 60 2HZ LYS 11 HZ2 LYS 11 -3.389 9.112 4.056 61 3HZ LYS 11 HZ3 LYS 11 -2.305 10.148 4.854 62 H GLN 12 HN GLN 12 2.865 4.936 3.821 63 HA GLN 12 HA GLN 12 2.552 6.777 1.599 64 1HB GLN 12 HB2 GLN 12 4.418 4.516 2.254 65 2HB GLN 12 HB1 GLN 12 4.378 5.161 0.614 66 1HG GLN 12 HG2 GLN 12 4.461 7.212 2.738 67 2HG GLN 12 HG1 GLN 12 5.904 6.203 2.631 68 1HE2 GLN 12 HE21 GLN 12 4.853 9.096 1.555 69 2HE2 GLN 12 HE22 GLN 12 5.589 9.149 0.026 70 H CYS 13 HN CYS 13 0.828 4.057 2.343 71 HA CYS 13 HA CYS 13 0.412 3.429 -0.554 72 1HB CYS 13 HB2 CYS 13 1.296 1.658 1.312 73 2HB CYS 13 HB1 CYS 13 -0.447 1.423 1.447 74 H TYR 14 HN TYR 14 -0.939 5.055 1.934 75 HA TYR 14 HA TYR 14 -3.676 4.071 1.779 76 1HB TYR 14 HB2 TYR 14 -2.223 6.189 3.218 77 2HB TYR 14 HB1 TYR 14 -3.875 6.625 2.776 78 HD1 TYR 14 HD1 TYR 14 -2.734 3.158 3.396 79 HD2 TYR 14 HD2 TYR 14 -4.829 6.550 4.993 80 HE1 TYR 14 HE1 TYR 14 -3.611 1.751 5.242 81 HE2 TYR 14 HE2 TYR 14 -5.704 5.144 6.838 82 HH TYR 14 HH TYR 14 -5.039 3.034 8.013 83 HA PRO 15 HA PRO 15 -4.255 7.950 -0.954 84 1HB PRO 15 HB2 PRO 15 -1.986 9.276 -1.765 85 2HB PRO 15 HB1 PRO 15 -2.882 9.671 -0.288 86 1HG PRO 15 HG2 PRO 15 -0.275 8.255 -0.579 87 2HG PRO 15 HG1 PRO 15 -0.895 9.196 0.788 88 1HD PRO 15 HD2 PRO 15 -0.829 6.373 0.607 89 2HD PRO 15 HD1 PRO 15 -1.726 7.321 1.812 90 H HIS 16 HN HIS 16 -1.555 5.802 -1.568 91 HA HIS 16 HA HIS 16 -1.673 6.123 -4.469 92 1HB HIS 16 HB2 HIS 16 0.393 5.250 -4.229 93 2HB HIS 16 HB1 HIS 16 0.070 4.859 -2.546 94 HD1 HIS 16 HD1 HIS 16 0.662 3.311 -5.789 95 HD2 HIS 16 HD2 HIS 16 -1.305 2.214 -2.281 96 HE1 HIS 16 HE1 HIS 16 0.352 0.799 -5.897 97 H CYS 17 HN CYS 17 -2.680 3.574 -2.158 98 HA CYS 17 HA CYS 17 -4.002 2.061 -4.281 99 1HB CYS 17 HB2 CYS 17 -3.468 1.723 -1.400 100 2HB CYS 17 HB1 CYS 17 -5.000 1.040 -1.945 101 H LYS 18 HN LYS 18 -5.157 3.925 -1.440 102 HA LYS 18 HA LYS 18 -7.898 3.654 -1.773 103 1HB LYS 18 HB2 LYS 18 -6.874 5.004 0.031 104 2HB LYS 18 HB1 LYS 18 -6.443 6.243 -1.149 105 1HG LYS 18 HG2 LYS 18 -8.560 7.060 -1.239 106 2HG LYS 18 HG1 LYS 18 -9.277 5.448 -1.241 107 1HD LYS 18 HD2 LYS 18 -9.962 6.092 0.852 108 2HD LYS 18 HD1 LYS 18 -8.356 5.507 1.288 109 1HE LYS 18 HE2 LYS 18 -8.155 8.220 0.350 110 2HE LYS 18 HE1 LYS 18 -9.379 8.128 1.616 111 1HZ LYS 18 HZ1 LYS 18 -7.698 6.818 2.918 112 2HZ LYS 18 HZ2 LYS 18 -7.331 8.462 2.693 113 3HZ LYS 18 HZ3 LYS 18 -6.546 7.278 1.762 114 H LYS 19 HN LYS 19 -5.656 5.531 -3.721 115 HA LYS 19 HA LYS 19 -7.775 6.835 -5.256 116 1HB LYS 19 HB2 LYS 19 -5.600 7.929 -5.024 117 2HB LYS 19 HB1 LYS 19 -4.800 6.548 -5.776 118 1HG LYS 19 HG2 LYS 19 -6.952 7.430 -7.469 119 2HG LYS 19 HG1 LYS 19 -5.922 8.807 -7.073 120 1HD LYS 19 HD2 LYS 19 -4.203 6.603 -7.589 121 2HD LYS 19 HD1 LYS 19 -5.391 6.653 -8.893 122 1HE LYS 19 HE2 LYS 19 -4.844 8.920 -9.429 123 2HE LYS 19 HE1 LYS 19 -3.894 9.109 -7.954 124 1HZ LYS 19 HZ1 LYS 19 -3.171 7.893 -10.474 125 2HZ LYS 19 HZ2 LYS 19 -2.713 6.997 -9.104 126 3HZ LYS 19 HZ3 LYS 19 -2.187 8.603 -9.288 127 H GLU 20 HN GLU 20 -5.516 4.127 -5.791 128 HA GLU 20 HA GLU 20 -6.281 3.521 -8.452 129 1HB GLU 20 HB2 GLU 20 -4.601 2.393 -6.518 130 2HB GLU 20 HB1 GLU 20 -5.768 1.124 -6.891 131 1HG GLU 20 HG2 GLU 20 -4.449 2.686 -9.102 132 2HG GLU 20 HG1 GLU 20 -3.634 1.304 -8.369 133 H THR 21 HN THR 21 -8.019 3.053 -5.477 134 HA THR 21 HA THR 21 -10.261 1.920 -7.030 135 HB THR 21 HB THR 21 -9.434 -0.160 -6.385 136 HG1 THR 21 HG1 THR 21 -10.792 0.477 -4.004 137 1HG2 THR 21 HG21 THR 21 -8.778 -0.009 -3.645 138 2HG2 THR 21 HG22 THR 21 -8.055 1.413 -4.394 139 3HG2 THR 21 HG23 THR 21 -7.664 -0.196 -4.999 140 H GLY 22 HN GLY 22 -9.201 2.713 -3.688 141 1HA GLY 22 HA2 GLY 22 -10.571 4.823 -2.905 142 2HA GLY 22 HA1 GLY 22 -11.945 3.756 -3.182 143 H TYR 23 HN TYR 23 -9.690 1.647 -2.249 144 HA TYR 23 HA TYR 23 -10.614 1.739 0.564 145 1HB TYR 23 HB2 TYR 23 -9.619 -0.360 -1.290 146 2HB TYR 23 HB1 TYR 23 -9.239 -0.569 0.419 147 HD1 TYR 23 HD1 TYR 23 -12.228 0.995 -1.196 148 HD2 TYR 23 HD2 TYR 23 -10.713 -2.234 1.200 149 HE1 TYR 23 HE1 TYR 23 -14.545 0.223 -0.769 150 HE2 TYR 23 HE2 TYR 23 -13.030 -3.006 1.626 151 HH TYR 23 HH TYR 23 -15.299 -2.092 1.626 152 HA PRO 24 HA PRO 24 -6.515 3.301 1.518 153 1HB PRO 24 HB2 PRO 24 -7.093 3.838 4.153 154 2HB PRO 24 HB1 PRO 24 -7.535 4.917 2.819 155 1HG PRO 24 HG2 PRO 24 -9.275 3.100 4.419 156 2HG PRO 24 HG1 PRO 24 -9.700 4.588 3.560 157 1HD PRO 24 HD2 PRO 24 -10.199 1.953 2.655 158 2HD PRO 24 HD1 PRO 24 -10.313 3.433 1.677 159 H ASN 25 HN ASN 25 -8.284 0.676 2.928 160 HA ASN 25 HA ASN 25 -6.407 -0.237 4.866 161 1HB ASN 25 HB2 ASN 25 -8.193 -1.983 3.150 162 2HB ASN 25 HB1 ASN 25 -7.562 -2.352 4.756 163 1HD2 ASN 25 HD21 ASN 25 -10.168 -0.844 3.053 164 2HD2 ASN 25 HD22 ASN 25 -10.948 -0.175 4.403 165 H ALA 26 HN ALA 26 -4.301 -0.055 3.987 166 HA ALA 26 HA ALA 26 -3.602 -2.261 2.123 167 1HB ALA 26 HB1 ALA 26 -2.780 0.642 1.795 168 2HB ALA 26 HB2 ALA 26 -3.764 -0.308 0.680 169 3HB ALA 26 HB3 ALA 26 -2.059 -0.697 0.903 170 H LYS 27 HN LYS 27 -1.341 -2.915 2.345 171 HA LYS 27 HA LYS 27 -0.053 -1.833 4.820 172 1HB LYS 27 HB2 LYS 27 0.895 -4.324 4.856 173 2HB LYS 27 HB1 LYS 27 -0.656 -3.924 5.594 174 1HG LYS 27 HG2 LYS 27 -1.803 -4.561 3.485 175 2HG LYS 27 HG1 LYS 27 -0.245 -5.020 2.796 176 1HD LYS 27 HD2 LYS 27 -1.448 -6.222 5.307 177 2HD LYS 27 HD1 LYS 27 -1.473 -6.979 3.713 178 1HE LYS 27 HE2 LYS 27 1.182 -6.373 3.967 179 2HE LYS 27 HE1 LYS 27 0.750 -6.726 5.640 180 1HZ LYS 27 HZ1 LYS 27 0.844 -8.488 3.339 181 2HZ LYS 27 HZ2 LYS 27 -0.488 -8.712 4.371 182 3HZ LYS 27 HZ3 LYS 27 1.093 -8.832 4.982 183 H CYS 28 HN CYS 28 1.868 -0.923 4.337 184 HA CYS 28 HA CYS 28 3.279 -1.789 1.860 185 1HB CYS 28 HB2 CYS 28 2.894 0.594 1.955 186 2HB CYS 28 HB1 CYS 28 3.527 0.682 3.599 187 H MET 29 HN MET 29 4.298 -3.687 2.694 188 HA MET 29 HA MET 29 6.421 -3.114 4.722 189 1HB MET 29 HB2 MET 29 4.251 -4.957 4.917 190 2HB MET 29 HB1 MET 29 5.739 -5.891 4.759 191 1HG MET 29 HG2 MET 29 6.423 -5.323 6.831 192 2HG MET 29 HG1 MET 29 6.075 -3.616 6.552 193 1HE MET 29 HE1 MET 29 5.026 -6.966 7.108 194 2HE MET 29 HE2 MET 29 3.266 -6.918 7.063 195 3HE MET 29 HE3 MET 29 4.101 -6.879 8.614 196 H ASN 30 HN ASN 30 8.453 -3.841 4.187 197 HA ASN 30 HA ASN 30 10.175 -4.676 2.831 198 1HB ASN 30 HB2 ASN 30 8.292 -6.751 3.194 199 2HB ASN 30 HB1 ASN 30 8.723 -6.779 1.485 200 1HD2 ASN 30 HD21 ASN 30 10.222 -8.502 1.407 201 2HD2 ASN 30 HD22 ASN 30 11.633 -8.573 2.348 202 H ARG 31 HN ARG 31 9.081 -2.507 1.691 203 HA ARG 31 HA ARG 31 8.513 -1.465 -0.352 204 1HB ARG 31 HB2 ARG 31 10.680 -3.437 -0.829 205 2HB ARG 31 HB1 ARG 31 9.871 -2.819 -2.268 206 1HG ARG 31 HG2 ARG 31 10.201 -0.480 -1.181 207 2HG ARG 31 HG1 ARG 31 11.396 -1.290 -0.167 208 1HD ARG 31 HD2 ARG 31 12.868 -0.970 -1.848 209 2HD ARG 31 HD1 ARG 31 11.971 -2.199 -2.740 210 HE ARG 31 HE ARG 31 10.681 0.345 -3.056 211 1HH1 ARG 31 HH11 ARG 31 13.534 1.126 -3.501 212 2HH1 ARG 31 HH12 ARG 31 13.738 0.820 -5.194 213 1HH2 ARG 31 HH21 ARG 31 10.910 -1.172 -5.442 214 2HH2 ARG 31 HH22 ARG 31 12.254 -0.484 -6.292 215 H LYS 32 HN LYS 32 6.736 -3.703 0.511 216 HA LYS 32 HA LYS 32 5.675 -4.387 -2.199 217 1HB LYS 32 HB2 LYS 32 6.682 -6.206 -0.278 218 2HB LYS 32 HB1 LYS 32 4.926 -6.372 -0.246 219 1HG LYS 32 HG2 LYS 32 6.077 -6.156 -2.953 220 2HG LYS 32 HG1 LYS 32 6.554 -7.606 -2.069 221 1HD LYS 32 HD2 LYS 32 4.554 -8.509 -2.557 222 2HD LYS 32 HD1 LYS 32 3.791 -7.256 -1.579 223 1HE LYS 32 HE2 LYS 32 2.765 -6.858 -3.620 224 2HE LYS 32 HE1 LYS 32 4.165 -5.795 -3.764 225 1HZ LYS 32 HZ1 LYS 32 3.499 -7.733 -5.520 226 2HZ LYS 32 HZ2 LYS 32 4.677 -8.508 -4.572 227 3HZ LYS 32 HZ3 LYS 32 5.045 -7.051 -5.364 228 H CYS 33 HN CYS 33 3.838 -3.193 -2.345 229 HA CYS 33 HA CYS 33 2.224 -2.644 0.063 230 1HB CYS 33 HB2 CYS 33 2.469 -1.524 -2.648 231 2HB CYS 33 HB1 CYS 33 0.809 -1.617 -2.061 232 H LYS 34 HN LYS 34 0.418 -3.765 0.584 233 HA LYS 34 HA LYS 34 -0.855 -5.464 -1.515 234 1HB LYS 34 HB2 LYS 34 0.627 -6.651 0.321 235 2HB LYS 34 HB1 LYS 34 -0.780 -6.368 1.348 236 1HG LYS 34 HG2 LYS 34 -1.064 -8.539 0.350 237 2HG LYS 34 HG1 LYS 34 -2.189 -7.448 -0.460 238 1HD LYS 34 HD2 LYS 34 0.318 -7.317 -1.829 239 2HD LYS 34 HD1 LYS 34 -0.111 -9.016 -1.633 240 1HE LYS 34 HE2 LYS 34 -1.517 -8.767 -3.379 241 2HE LYS 34 HE1 LYS 34 -2.514 -7.753 -2.335 242 1HZ LYS 34 HZ1 LYS 34 -1.534 -6.857 -4.583 243 2HZ LYS 34 HZ2 LYS 34 -0.177 -6.538 -3.611 244 3HZ LYS 34 HZ3 LYS 34 -1.683 -5.850 -3.227 245 H CYS 35 HN CYS 35 -2.594 -4.030 -1.790 246 HA CYS 35 HA CYS 35 -4.105 -3.219 0.633 247 1HB CYS 35 HB2 CYS 35 -4.800 -2.392 -2.174 248 2HB CYS 35 HB1 CYS 35 -5.067 -1.519 -0.664 249 H PHE 36 HN PHE 36 -6.333 -3.724 0.857 250 HA PHE 36 HA PHE 36 -7.105 -6.267 -0.376 251 1HB PHE 36 HB2 PHE 36 -8.638 -4.453 1.512 252 2HB PHE 36 HB1 PHE 36 -9.078 -6.108 1.089 253 HD1 PHE 36 HD1 PHE 36 -7.713 -4.288 3.643 254 HD2 PHE 36 HD2 PHE 36 -6.780 -7.709 1.216 255 HE1 PHE 36 HE1 PHE 36 -6.215 -5.144 5.424 256 HE2 PHE 36 HE2 PHE 36 -5.283 -8.565 2.998 257 HZ PHE 36 HZ PHE 36 -5.001 -7.282 5.102 258 H GLY 37 HN GLY 37 -8.989 -3.253 -0.013 259 1HA GLY 37 HA2 GLY 37 -10.224 -2.061 -1.634 260 2HA GLY 37 HA1 GLY 37 -9.464 -3.050 -2.878 261 H ARG 38 HN ARG 38 -10.608 -5.240 -0.731 262 HA ARG 38 HA ARG 38 -12.996 -5.739 -2.395 263 1HB ARG 38 HB2 ARG 38 -11.306 -7.538 -1.699 264 2HB ARG 38 HB1 ARG 38 -12.006 -7.419 -0.084 265 1HG ARG 38 HG2 ARG 38 -13.637 -8.823 -0.741 266 2HG ARG 38 HG1 ARG 38 -14.189 -7.588 -1.873 267 1HD ARG 38 HD2 ARG 38 -12.548 -8.436 -3.547 268 2HD ARG 38 HD1 ARG 38 -12.104 -9.720 -2.422 269 HE ARG 38 HE ARG 38 -14.204 -9.997 -4.185 270 1HH1 ARG 38 HH21 ARG 38 -13.384 -11.028 -1.135 271 2HH1 ARG 38 HH22 ARG 38 -14.988 -11.459 -0.641 272 1HH2 ARG 38 HH11 ARG 38 -16.513 -10.005 -3.393 273 2HH2 ARG 38 HH12 ARG 38 -16.759 -10.874 -1.915 Start of MODEL 12 1 1H THR 4 HT1 THR 4 6.173 -4.174 -5.868 2 2H THR 4 HT2 THR 4 7.368 -2.967 -5.895 3 3H THR 4 HT3 THR 4 7.095 -3.926 -7.271 4 HA THR 4 HA THR 4 5.624 -2.484 -8.024 5 HB THR 4 HB THR 4 4.208 -2.669 -5.354 6 HG1 THR 4 HG1 THR 4 3.081 -4.378 -6.736 7 1HG2 THR 4 HG21 THR 4 3.655 -1.205 -7.640 8 2HG2 THR 4 HG22 THR 4 2.483 -1.652 -6.401 9 3HG2 THR 4 HG23 THR 4 2.666 -2.651 -7.843 10 H ILE 5 HN ILE 5 4.320 -0.806 -5.474 11 HA ILE 5 HA ILE 5 5.614 1.623 -6.067 12 HB ILE 5 HB ILE 5 4.707 1.182 -3.272 13 1HG1 ILE 5 HG12 ILE 5 3.018 -0.097 -4.432 14 2HG1 ILE 5 HG11 ILE 5 2.325 1.482 -4.075 15 1HG2 ILE 5 HG21 ILE 5 3.460 3.376 -4.070 16 2HG2 ILE 5 HG22 ILE 5 4.682 3.336 -5.341 17 3HG2 ILE 5 HG23 ILE 5 5.172 3.415 -3.649 18 1HD1 ILE 5 HD11 ILE 5 1.842 0.822 -6.399 19 2HD1 ILE 5 HD12 ILE 5 3.570 0.677 -6.718 20 3HD1 ILE 5 HD13 ILE 5 2.871 2.252 -6.348 21 H SER 6 HN SER 6 7.098 2.872 -4.611 22 HA SER 6 HA SER 6 9.187 1.047 -3.504 23 1HB SER 6 HB2 SER 6 9.247 3.696 -4.872 24 2HB SER 6 HB1 SER 6 10.450 3.416 -3.616 25 HG SER 6 HG SER 6 10.646 1.275 -4.843 26 H CYS 7 HN CYS 7 6.943 1.513 -1.908 27 HA CYS 7 HA CYS 7 7.675 3.673 -0.020 28 1HB CYS 7 HB2 CYS 7 5.543 3.115 1.083 29 2HB CYS 7 HB1 CYS 7 5.301 3.384 -0.643 30 H THR 8 HN THR 8 7.583 3.079 2.358 31 HA THR 8 HA THR 8 8.523 0.312 2.909 32 HB THR 8 HB THR 8 10.566 1.639 2.623 33 HG1 THR 8 HG1 THR 8 11.079 1.608 5.082 34 1HG2 THR 8 HG21 THR 8 9.010 3.563 4.266 35 2HG2 THR 8 HG22 THR 8 10.173 3.866 2.975 36 3HG2 THR 8 HG23 THR 8 10.740 3.470 4.596 37 H ASN 9 HN ASN 9 6.198 2.348 3.467 38 HA ASN 9 HA ASN 9 5.767 1.431 6.231 39 1HB ASN 9 HB2 ASN 9 6.936 3.902 5.900 40 2HB ASN 9 HB1 ASN 9 5.223 4.313 5.957 41 1HD2 ASN 9 HD21 ASN 9 5.038 5.100 8.101 42 2HD2 ASN 9 HD22 ASN 9 5.428 4.184 9.476 43 H GLU 10 HN GLU 10 3.566 1.234 6.665 44 HA GLU 10 HA GLU 10 1.721 1.104 4.526 45 1HB GLU 10 HB2 GLU 10 1.623 0.201 7.012 46 2HB GLU 10 HB1 GLU 10 0.752 1.708 7.296 47 1HG GLU 10 HG2 GLU 10 -0.295 0.602 4.902 48 2HG GLU 10 HG1 GLU 10 -0.205 -0.714 6.072 49 H LYS 11 HN LYS 11 2.890 3.857 6.212 50 HA LYS 11 HA LYS 11 0.605 5.574 5.970 51 1HB LYS 11 HB2 LYS 11 2.769 5.939 7.331 52 2HB LYS 11 HB1 LYS 11 3.469 6.518 5.819 53 1HG LYS 11 HG2 LYS 11 2.135 8.400 5.756 54 2HG LYS 11 HG1 LYS 11 0.815 7.624 6.632 55 1HD LYS 11 HD2 LYS 11 2.745 7.587 8.543 56 2HD LYS 11 HD1 LYS 11 3.191 9.057 7.677 57 1HE LYS 11 HE2 LYS 11 0.364 9.086 7.939 58 2HE LYS 11 HE1 LYS 11 1.020 8.657 9.519 59 1HZ LYS 11 HZ1 LYS 11 1.070 10.944 9.561 60 2HZ LYS 11 HZ2 LYS 11 1.475 11.084 7.917 61 3HZ LYS 11 HZ3 LYS 11 2.644 10.585 9.044 62 H GLN 12 HN GLN 12 3.441 5.086 3.848 63 HA GLN 12 HA GLN 12 2.461 6.953 1.847 64 1HB GLN 12 HB2 GLN 12 4.628 4.840 1.766 65 2HB GLN 12 HB1 GLN 12 4.307 5.972 0.452 66 1HG GLN 12 HG2 GLN 12 5.544 7.532 1.493 67 2HG GLN 12 HG1 GLN 12 4.451 7.471 2.876 68 1HE2 GLN 12 HE21 GLN 12 7.256 7.863 3.248 69 2HE2 GLN 12 HE22 GLN 12 7.897 6.489 4.010 70 H CYS 13 HN CYS 13 1.151 4.098 2.697 71 HA CYS 13 HA CYS 13 0.529 3.331 -0.131 72 1HB CYS 13 HB2 CYS 13 1.602 1.698 1.674 73 2HB CYS 13 HB1 CYS 13 -0.075 1.533 2.187 74 H TYR 14 HN TYR 14 -0.727 5.084 2.357 75 HA TYR 14 HA TYR 14 -3.438 4.026 2.415 76 1HB TYR 14 HB2 TYR 14 -1.965 6.252 3.650 77 2HB TYR 14 HB1 TYR 14 -3.659 6.609 3.311 78 HD1 TYR 14 HD1 TYR 14 -1.379 4.982 5.531 79 HD2 TYR 14 HD2 TYR 14 -5.407 4.832 4.045 80 HE1 TYR 14 HE1 TYR 14 -2.053 3.627 7.496 81 HE2 TYR 14 HE2 TYR 14 -6.080 3.476 6.010 82 HH TYR 14 HH TYR 14 -3.817 2.034 8.109 83 HA PRO 15 HA PRO 15 -4.405 7.780 -0.382 84 1HB PRO 15 HB2 PRO 15 -2.278 9.230 -1.345 85 2HB PRO 15 HB1 PRO 15 -3.107 9.600 0.177 86 1HG PRO 15 HG2 PRO 15 -0.449 8.302 -0.250 87 2HG PRO 15 HG1 PRO 15 -1.012 9.283 1.114 88 1HD PRO 15 HD2 PRO 15 -0.819 6.477 1.097 89 2HD PRO 15 HD1 PRO 15 -1.747 7.440 2.265 90 H HIS 16 HN HIS 16 -1.530 5.892 -1.116 91 HA HIS 16 HA HIS 16 -1.878 6.100 -4.003 92 1HB HIS 16 HB2 HIS 16 0.307 5.569 -3.775 93 2HB HIS 16 HB1 HIS 16 0.069 4.970 -2.139 94 HD1 HIS 16 HD1 HIS 16 -0.488 3.795 -5.729 95 HD2 HIS 16 HD2 HIS 16 0.280 2.238 -1.944 96 HE1 HIS 16 HE1 HIS 16 -0.164 1.301 -6.036 97 H CYS 17 HN CYS 17 -2.521 3.547 -1.559 98 HA CYS 17 HA CYS 17 -3.673 1.761 -3.545 99 1HB CYS 17 HB2 CYS 17 -3.245 1.748 -0.630 100 2HB CYS 17 HB1 CYS 17 -4.697 0.898 -1.154 101 H LYS 18 HN LYS 18 -4.891 4.372 -1.571 102 HA LYS 18 HA LYS 18 -7.649 3.704 -1.523 103 1HB LYS 18 HB2 LYS 18 -6.722 5.599 -0.256 104 2HB LYS 18 HB1 LYS 18 -6.372 6.446 -1.764 105 1HG LYS 18 HG2 LYS 18 -8.843 6.273 -2.314 106 2HG LYS 18 HG1 LYS 18 -9.093 5.701 -0.664 107 1HD LYS 18 HD2 LYS 18 -7.439 8.072 -0.650 108 2HD LYS 18 HD1 LYS 18 -8.937 8.383 -1.526 109 1HE LYS 18 HE2 LYS 18 -9.047 6.927 1.097 110 2HE LYS 18 HE1 LYS 18 -8.873 8.682 1.089 111 1HZ LYS 18 HZ1 LYS 18 -10.847 7.907 -0.769 112 2HZ LYS 18 HZ2 LYS 18 -11.006 8.895 0.604 113 3HZ LYS 18 HZ3 LYS 18 -11.197 7.212 0.738 114 H LYS 19 HN LYS 19 -5.779 5.496 -3.985 115 HA LYS 19 HA LYS 19 -8.117 5.717 -5.730 116 1HB LYS 19 HB2 LYS 19 -5.498 6.877 -5.588 117 2HB LYS 19 HB1 LYS 19 -5.713 6.166 -7.188 118 1HG LYS 19 HG2 LYS 19 -7.228 7.732 -7.791 119 2HG LYS 19 HG1 LYS 19 -8.097 7.589 -6.262 120 1HD LYS 19 HD2 LYS 19 -5.709 8.811 -5.534 121 2HD LYS 19 HD1 LYS 19 -6.098 9.561 -7.083 122 1HE LYS 19 HE2 LYS 19 -8.288 9.240 -5.065 123 2HE LYS 19 HE1 LYS 19 -7.105 10.525 -4.824 124 1HZ LYS 19 HZ1 LYS 19 -7.962 11.703 -6.486 125 2HZ LYS 19 HZ2 LYS 19 -9.297 10.653 -6.430 126 3HZ LYS 19 HZ3 LYS 19 -8.033 10.366 -7.528 127 H GLU 20 HN GLU 20 -5.333 3.585 -5.411 128 HA GLU 20 HA GLU 20 -5.369 2.308 -7.919 129 1HB GLU 20 HB2 GLU 20 -3.657 1.809 -6.249 130 2HB GLU 20 HB1 GLU 20 -4.870 1.099 -5.183 131 1HG GLU 20 HG2 GLU 20 -3.990 -0.795 -6.229 132 2HG GLU 20 HG1 GLU 20 -5.388 -0.441 -7.245 133 H THR 21 HN THR 21 -7.649 2.088 -5.279 134 HA THR 21 HA THR 21 -9.354 0.363 -6.991 135 HB THR 21 HB THR 21 -8.565 -1.372 -5.662 136 HG1 THR 21 HG1 THR 21 -10.811 -1.146 -5.332 137 1HG2 THR 21 HG21 THR 21 -8.523 -0.501 -2.988 138 2HG2 THR 21 HG22 THR 21 -7.791 0.806 -3.917 139 3HG2 THR 21 HG23 THR 21 -7.131 -0.825 -4.019 140 H GLY 22 HN GLY 22 -9.346 1.802 -3.703 141 1HA GLY 22 HA2 GLY 22 -11.117 3.888 -4.085 142 2HA GLY 22 HA1 GLY 22 -12.169 2.481 -3.913 143 H TYR 23 HN TYR 23 -10.378 1.090 -2.066 144 HA TYR 23 HA TYR 23 -11.131 2.575 0.375 145 1HB TYR 23 HB2 TYR 23 -9.855 -0.164 0.171 146 2HB TYR 23 HB1 TYR 23 -10.723 0.513 1.549 147 HD1 TYR 23 HD1 TYR 23 -11.306 -2.097 -0.119 148 HD2 TYR 23 HD2 TYR 23 -12.902 1.891 -0.166 149 HE1 TYR 23 HE1 TYR 23 -13.444 -2.962 -1.030 150 HE2 TYR 23 HE2 TYR 23 -15.039 1.025 -1.076 151 HH TYR 23 HH TYR 23 -15.708 -2.385 -1.263 152 HA PRO 24 HA PRO 24 -6.979 3.969 0.932 153 1HB PRO 24 HB2 PRO 24 -7.267 4.829 3.527 154 2HB PRO 24 HB1 PRO 24 -7.882 5.723 2.127 155 1HG PRO 24 HG2 PRO 24 -9.389 4.114 4.134 156 2HG PRO 24 HG1 PRO 24 -9.942 5.473 3.142 157 1HD PRO 24 HD2 PRO 24 -10.466 2.731 2.649 158 2HD PRO 24 HD1 PRO 24 -10.739 4.069 1.514 159 H ASN 25 HN ASN 25 -8.470 1.470 2.798 160 HA ASN 25 HA ASN 25 -6.350 0.850 4.612 161 1HB ASN 25 HB2 ASN 25 -8.110 -1.257 3.370 162 2HB ASN 25 HB1 ASN 25 -7.493 -1.166 5.021 163 1HD2 ASN 25 HD21 ASN 25 -8.567 0.314 6.518 164 2HD2 ASN 25 HD22 ASN 25 -10.094 0.967 6.167 165 H ALA 26 HN ALA 26 -4.298 0.372 3.995 166 HA ALA 26 HA ALA 26 -3.888 -1.662 1.888 167 1HB ALA 26 HB1 ALA 26 -3.869 0.604 0.773 168 2HB ALA 26 HB2 ALA 26 -2.365 -0.302 0.598 169 3HB ALA 26 HB3 ALA 26 -2.473 1.015 1.768 170 H LYS 27 HN LYS 27 -1.505 -2.297 1.823 171 HA LYS 27 HA LYS 27 -0.167 -1.785 4.444 172 1HB LYS 27 HB2 LYS 27 0.555 -4.249 4.311 173 2HB LYS 27 HB1 LYS 27 -1.125 -3.942 4.755 174 1HG LYS 27 HG2 LYS 27 -1.921 -4.886 2.853 175 2HG LYS 27 HG1 LYS 27 -0.686 -4.118 1.853 176 1HD LYS 27 HD2 LYS 27 -0.480 -6.609 1.899 177 2HD LYS 27 HD1 LYS 27 0.956 -5.791 2.520 178 1HE LYS 27 HE2 LYS 27 0.716 -6.777 4.529 179 2HE LYS 27 HE1 LYS 27 -0.949 -6.212 4.655 180 1HZ LYS 27 HZ1 LYS 27 -0.766 -8.293 2.753 181 2HZ LYS 27 HZ2 LYS 27 -1.680 -8.233 4.185 182 3HZ LYS 27 HZ3 LYS 27 -0.080 -8.803 4.218 183 H CYS 28 HN CYS 28 2.006 -1.362 4.231 184 HA CYS 28 HA CYS 28 3.243 -1.945 1.570 185 1HB CYS 28 HB2 CYS 28 2.934 0.432 1.690 186 2HB CYS 28 HB1 CYS 28 3.544 0.493 3.342 187 H MET 29 HN MET 29 4.157 -3.901 2.395 188 HA MET 29 HA MET 29 6.329 -3.455 4.406 189 1HB MET 29 HB2 MET 29 5.905 -6.166 4.476 190 2HB MET 29 HB1 MET 29 5.199 -5.019 5.613 191 1HG MET 29 HG2 MET 29 3.201 -4.822 4.163 192 2HG MET 29 HG1 MET 29 3.904 -5.995 3.049 193 1HE MET 29 HE1 MET 29 3.338 -5.435 6.870 194 2HE MET 29 HE2 MET 29 2.105 -6.652 7.191 195 3HE MET 29 HE3 MET 29 1.775 -5.354 6.046 196 H ASN 30 HN ASN 30 8.370 -4.127 3.796 197 HA ASN 30 HA ASN 30 10.075 -4.855 2.356 198 1HB ASN 30 HB2 ASN 30 8.558 -7.005 2.705 199 2HB ASN 30 HB1 ASN 30 8.160 -6.728 1.010 200 1HD2 ASN 30 HD21 ASN 30 9.913 -6.894 -0.576 201 2HD2 ASN 30 HD22 ASN 30 11.382 -7.649 -0.181 202 H ARG 31 HN ARG 31 8.661 -2.572 1.551 203 HA ARG 31 HA ARG 31 8.187 -1.267 -0.345 204 1HB ARG 31 HB2 ARG 31 10.097 -3.296 -1.549 205 2HB ARG 31 HB1 ARG 31 9.609 -1.789 -2.329 206 1HG ARG 31 HG2 ARG 31 10.505 -0.519 -0.390 207 2HG ARG 31 HG1 ARG 31 11.050 -2.035 0.328 208 1HD ARG 31 HD2 ARG 31 11.997 -2.003 -2.349 209 2HD ARG 31 HD1 ARG 31 12.364 -0.425 -1.655 210 HE ARG 31 HE ARG 31 13.147 -2.938 -0.240 211 1HH1 ARG 31 HH11 ARG 31 14.745 -1.354 -2.499 212 2HH1 ARG 31 HH12 ARG 31 15.940 -0.602 -1.496 213 1HH2 ARG 31 HH21 ARG 31 14.286 -1.319 1.467 214 2HH2 ARG 31 HH22 ARG 31 15.681 -0.583 0.750 215 H LYS 32 HN LYS 32 6.481 -3.639 0.250 216 HA LYS 32 HA LYS 32 5.432 -4.097 -2.517 217 1HB LYS 32 HB2 LYS 32 6.235 -5.999 -0.541 218 2HB LYS 32 HB1 LYS 32 4.483 -6.103 -0.707 219 1HG LYS 32 HG2 LYS 32 4.801 -6.221 -3.204 220 2HG LYS 32 HG1 LYS 32 6.540 -6.327 -2.922 221 1HD LYS 32 HD2 LYS 32 4.652 -8.222 -1.536 222 2HD LYS 32 HD1 LYS 32 5.191 -8.542 -3.185 223 1HE LYS 32 HE2 LYS 32 7.546 -7.869 -1.909 224 2HE LYS 32 HE1 LYS 32 6.675 -8.760 -0.661 225 1HZ LYS 32 HZ1 LYS 32 6.398 -10.040 -3.170 226 2HZ LYS 32 HZ2 LYS 32 7.048 -10.649 -1.723 227 3HZ LYS 32 HZ3 LYS 32 8.041 -9.811 -2.818 228 H CYS 33 HN CYS 33 3.631 -2.825 -2.696 229 HA CYS 33 HA CYS 33 1.970 -2.348 -0.289 230 1HB CYS 33 HB2 CYS 33 2.449 -0.932 -2.819 231 2HB CYS 33 HB1 CYS 33 0.753 -0.969 -2.335 232 H LYS 34 HN LYS 34 -0.236 -2.860 -0.213 233 HA LYS 34 HA LYS 34 -1.393 -4.423 -2.446 234 1HB LYS 34 HB2 LYS 34 -0.195 -5.830 -0.485 235 2HB LYS 34 HB1 LYS 34 -1.768 -5.581 0.274 236 1HG LYS 34 HG2 LYS 34 -2.785 -6.377 -1.948 237 2HG LYS 34 HG1 LYS 34 -1.162 -6.939 -2.356 238 1HD LYS 34 HD2 LYS 34 -1.110 -8.398 -0.432 239 2HD LYS 34 HD1 LYS 34 -2.620 -7.722 0.181 240 1HE LYS 34 HE2 LYS 34 -3.860 -9.073 -1.133 241 2HE LYS 34 HE1 LYS 34 -2.902 -8.672 -2.560 242 1HZ LYS 34 HZ1 LYS 34 -2.902 -11.065 -1.309 243 2HZ LYS 34 HZ2 LYS 34 -1.517 -10.328 -0.655 244 3HZ LYS 34 HZ3 LYS 34 -1.676 -10.506 -2.338 245 H CYS 35 HN CYS 35 -3.340 -3.472 -2.790 246 HA CYS 35 HA CYS 35 -4.616 -1.958 -0.599 247 1HB CYS 35 HB2 CYS 35 -5.830 -2.261 -3.328 248 2HB CYS 35 HB1 CYS 35 -5.857 -0.871 -2.246 249 H PHE 36 HN PHE 36 -6.610 -2.501 0.309 250 HA PHE 36 HA PHE 36 -7.337 -5.279 0.340 251 1HB PHE 36 HB2 PHE 36 -8.322 -2.773 1.556 252 2HB PHE 36 HB1 PHE 36 -9.557 -4.009 1.312 253 HD1 PHE 36 HD1 PHE 36 -5.981 -3.799 2.450 254 HD2 PHE 36 HD2 PHE 36 -9.866 -5.535 3.037 255 HE1 PHE 36 HE1 PHE 36 -5.128 -5.041 4.420 256 HE2 PHE 36 HE2 PHE 36 -9.013 -6.778 5.007 257 HZ PHE 36 HZ PHE 36 -6.644 -6.530 5.698 258 H GLY 37 HN GLY 37 -9.122 -2.450 -0.948 259 1HA GLY 37 HA2 GLY 37 -10.689 -2.325 -2.690 260 2HA GLY 37 HA1 GLY 37 -9.839 -3.696 -3.404 261 H ARG 38 HN ARG 38 -11.151 -4.013 -0.201 262 HA ARG 38 HA ARG 38 -13.756 -4.992 -0.901 263 1HB ARG 38 HB2 ARG 38 -13.319 -7.423 -0.518 264 2HB ARG 38 HB1 ARG 38 -12.534 -6.812 -1.976 265 1HG ARG 38 HG2 ARG 38 -10.431 -7.054 -1.108 266 2HG ARG 38 HG1 ARG 38 -10.946 -6.628 0.525 267 1HD ARG 38 HD2 ARG 38 -11.312 -9.286 -0.880 268 2HD ARG 38 HD1 ARG 38 -10.353 -8.961 0.563 269 HE ARG 38 HE ARG 38 -12.707 -8.287 1.548 270 1HH1 ARG 38 HH21 ARG 38 -13.256 -9.858 -1.276 271 2HH1 ARG 38 HH22 ARG 38 -14.037 -11.248 -0.600 272 1HH2 ARG 38 HH11 ARG 38 -13.179 -10.470 2.669 273 2HH2 ARG 38 HH12 ARG 38 -13.992 -11.595 1.634 Start of MODEL 13 1 1H THR 4 HT1 THR 4 5.991 -5.021 -7.603 2 2H THR 4 HT2 THR 4 7.024 -3.912 -8.370 3 3H THR 4 HT3 THR 4 5.850 -4.748 -9.270 4 HA THR 4 HA THR 4 4.655 -2.880 -9.026 5 HB THR 4 HB THR 4 4.175 -3.433 -6.159 6 HG1 THR 4 HG1 THR 4 4.115 -5.500 -6.385 7 1HG2 THR 4 HG21 THR 4 2.334 -2.366 -6.921 8 2HG2 THR 4 HG22 THR 4 1.882 -3.916 -7.628 9 3HG2 THR 4 HG23 THR 4 2.729 -2.716 -8.604 10 H ILE 5 HN ILE 5 4.127 -1.466 -6.506 11 HA ILE 5 HA ILE 5 6.309 0.435 -6.638 12 HB ILE 5 HB ILE 5 3.757 0.756 -6.028 13 1HG1 ILE 5 HG12 ILE 5 5.004 2.617 -4.307 14 2HG1 ILE 5 HG11 ILE 5 6.170 2.255 -5.581 15 1HG2 ILE 5 HG21 ILE 5 4.617 0.988 -3.232 16 2HG2 ILE 5 HG22 ILE 5 4.506 -0.675 -3.806 17 3HG2 ILE 5 HG23 ILE 5 3.099 0.384 -3.897 18 1HD1 ILE 5 HD11 ILE 5 4.000 2.502 -7.119 19 2HD1 ILE 5 HD12 ILE 5 4.960 3.905 -6.651 20 3HD1 ILE 5 HD13 ILE 5 3.473 3.523 -5.782 21 H SER 6 HN SER 6 6.396 1.052 -3.814 22 HA SER 6 HA SER 6 7.246 -1.118 -2.195 23 1HB SER 6 HB2 SER 6 9.815 -0.312 -2.481 24 2HB SER 6 HB1 SER 6 9.133 -1.675 -3.365 25 HG SER 6 HG SER 6 9.394 1.020 -4.220 26 H CYS 7 HN CYS 7 6.603 -0.025 -0.363 27 HA CYS 7 HA CYS 7 8.071 2.493 0.238 28 1HB CYS 7 HB2 CYS 7 6.177 3.725 0.705 29 2HB CYS 7 HB1 CYS 7 5.541 2.696 -0.570 30 H THR 8 HN THR 8 8.073 2.976 2.615 31 HA THR 8 HA THR 8 7.879 0.440 4.192 32 HB THR 8 HB THR 8 10.197 0.923 4.034 33 HG1 THR 8 HG1 THR 8 9.457 0.639 6.189 34 1HG2 THR 8 HG21 THR 8 9.237 3.742 4.131 35 2HG2 THR 8 HG22 THR 8 10.492 3.015 3.127 36 3HG2 THR 8 HG23 THR 8 10.830 3.411 4.812 37 H ASN 9 HN ASN 9 5.773 2.419 3.874 38 HA ASN 9 HA ASN 9 5.314 2.978 6.724 39 1HB ASN 9 HB2 ASN 9 6.527 4.981 5.367 40 2HB ASN 9 HB1 ASN 9 4.843 5.341 4.984 41 1HD2 ASN 9 HD21 ASN 9 7.198 5.144 7.618 42 2HD2 ASN 9 HD22 ASN 9 6.214 5.875 8.792 43 H GLU 10 HN GLU 10 3.173 2.643 7.140 44 HA GLU 10 HA GLU 10 1.363 1.696 5.200 45 1HB GLU 10 HB2 GLU 10 0.770 3.086 7.830 46 2HB GLU 10 HB1 GLU 10 -0.405 2.164 6.893 47 1HG GLU 10 HG2 GLU 10 0.333 0.253 7.819 48 2HG GLU 10 HG1 GLU 10 1.954 0.570 7.201 49 H LYS 11 HN LYS 11 1.824 5.001 6.429 50 HA LYS 11 HA LYS 11 -0.365 6.181 5.012 51 1HB LYS 11 HB2 LYS 11 1.075 7.205 6.886 52 2HB LYS 11 HB1 LYS 11 2.235 7.595 5.615 53 1HG LYS 11 HG2 LYS 11 0.827 9.522 5.864 54 2HG LYS 11 HG1 LYS 11 0.322 8.722 4.376 55 1HD LYS 11 HD2 LYS 11 -1.596 9.410 5.850 56 2HD LYS 11 HD1 LYS 11 -1.555 7.681 5.499 57 1HE LYS 11 HE2 LYS 11 -0.832 7.125 7.648 58 2HE LYS 11 HE1 LYS 11 -0.159 8.728 7.943 59 1HZ LYS 11 HZ1 LYS 11 -2.423 8.013 8.996 60 2HZ LYS 11 HZ2 LYS 11 -3.043 8.476 7.483 61 3HZ LYS 11 HZ3 LYS 11 -2.193 9.597 8.437 62 H GLN 12 HN GLN 12 2.952 5.433 4.081 63 HA GLN 12 HA GLN 12 3.029 6.941 1.659 64 1HB GLN 12 HB2 GLN 12 4.567 4.737 2.876 65 2HB GLN 12 HB1 GLN 12 4.612 4.779 1.113 66 1HG GLN 12 HG2 GLN 12 5.063 7.283 2.729 67 2HG GLN 12 HG1 GLN 12 6.387 6.164 2.403 68 1HE2 GLN 12 HE21 GLN 12 6.943 5.778 0.087 69 2HE2 GLN 12 HE22 GLN 12 6.540 6.942 -1.081 70 H CYS 13 HN CYS 13 1.416 3.951 2.448 71 HA CYS 13 HA CYS 13 0.738 3.641 -0.453 72 1HB CYS 13 HB2 CYS 13 2.104 1.786 0.783 73 2HB CYS 13 HB1 CYS 13 0.557 1.380 1.524 74 H TYR 14 HN TYR 14 -0.506 4.791 2.320 75 HA TYR 14 HA TYR 14 -3.070 3.438 2.408 76 1HB TYR 14 HB2 TYR 14 -1.776 5.703 3.779 77 2HB TYR 14 HB1 TYR 14 -3.521 5.871 3.590 78 HD1 TYR 14 HD1 TYR 14 -4.378 3.025 3.677 79 HD2 TYR 14 HD2 TYR 14 -1.499 5.144 6.059 80 HE1 TYR 14 HE1 TYR 14 -4.730 1.419 5.535 81 HE2 TYR 14 HE2 TYR 14 -1.850 3.539 7.913 82 HH TYR 14 HH TYR 14 -3.814 0.655 7.502 83 HA PRO 15 HA PRO 15 -4.592 7.294 0.031 84 1HB PRO 15 HB2 PRO 15 -2.684 9.022 -0.937 85 2HB PRO 15 HB1 PRO 15 -3.444 9.189 0.656 86 1HG PRO 15 HG2 PRO 15 -0.700 8.238 -0.026 87 2HG PRO 15 HG1 PRO 15 -1.286 9.005 1.460 88 1HD PRO 15 HD2 PRO 15 -0.795 6.244 1.103 89 2HD PRO 15 HD1 PRO 15 -1.692 6.979 2.450 90 H HIS 16 HN HIS 16 -1.538 5.886 -1.076 91 HA HIS 16 HA HIS 16 -2.065 6.224 -3.891 92 1HB HIS 16 HB2 HIS 16 0.110 5.616 -3.886 93 2HB HIS 16 HB1 HIS 16 -0.006 5.054 -2.223 94 HD1 HIS 16 HD1 HIS 16 0.626 3.840 -5.555 95 HD2 HIS 16 HD2 HIS 16 -1.220 2.264 -2.166 96 HE1 HIS 16 HE1 HIS 16 0.548 1.330 -5.884 97 H CYS 17 HN CYS 17 -2.672 3.572 -1.588 98 HA CYS 17 HA CYS 17 -3.760 1.772 -3.554 99 1HB CYS 17 HB2 CYS 17 -3.770 1.951 -0.570 100 2HB CYS 17 HB1 CYS 17 -4.944 0.882 -1.340 101 H LYS 18 HN LYS 18 -5.287 4.075 -1.288 102 HA LYS 18 HA LYS 18 -7.982 3.525 -1.872 103 1HB LYS 18 HB2 LYS 18 -6.939 5.233 -0.203 104 2HB LYS 18 HB1 LYS 18 -7.008 6.359 -1.558 105 1HG LYS 18 HG2 LYS 18 -9.507 4.968 -1.417 106 2HG LYS 18 HG1 LYS 18 -9.126 5.591 0.188 107 1HD LYS 18 HD2 LYS 18 -9.273 7.778 -0.476 108 2HD LYS 18 HD1 LYS 18 -8.628 7.441 -2.082 109 1HE LYS 18 HE2 LYS 18 -10.854 6.233 -2.536 110 2HE LYS 18 HE1 LYS 18 -11.446 7.030 -1.080 111 1HZ LYS 18 HZ1 LYS 18 -11.276 9.095 -2.027 112 2HZ LYS 18 HZ2 LYS 18 -11.709 8.165 -3.382 113 3HZ LYS 18 HZ3 LYS 18 -10.090 8.621 -3.143 114 H LYS 19 HN LYS 19 -5.633 5.420 -3.723 115 HA LYS 19 HA LYS 19 -7.631 6.355 -5.636 116 1HB LYS 19 HB2 LYS 19 -4.600 6.354 -5.683 117 2HB LYS 19 HB1 LYS 19 -5.601 7.079 -6.943 118 1HG LYS 19 HG2 LYS 19 -6.276 7.861 -4.164 119 2HG LYS 19 HG1 LYS 19 -4.725 8.448 -4.767 120 1HD LYS 19 HD2 LYS 19 -5.801 10.043 -5.928 121 2HD LYS 19 HD1 LYS 19 -6.617 8.788 -6.862 122 1HE LYS 19 HE2 LYS 19 -8.566 9.252 -5.844 123 2HE LYS 19 HE1 LYS 19 -7.835 8.966 -4.265 124 1HZ LYS 19 HZ1 LYS 19 -7.752 11.504 -5.804 125 2HZ LYS 19 HZ2 LYS 19 -6.969 11.238 -4.320 126 3HZ LYS 19 HZ3 LYS 19 -8.666 11.210 -4.405 127 H GLU 20 HN GLU 20 -5.481 3.597 -5.358 128 HA GLU 20 HA GLU 20 -5.607 2.787 -8.121 129 1HB GLU 20 HB2 GLU 20 -4.013 1.985 -6.212 130 2HB GLU 20 HB1 GLU 20 -5.304 0.840 -5.845 131 1HG GLU 20 HG2 GLU 20 -5.256 0.214 -8.328 132 2HG GLU 20 HG1 GLU 20 -3.739 1.112 -8.418 133 H THR 21 HN THR 21 -7.336 1.517 -5.240 134 HA THR 21 HA THR 21 -9.415 0.483 -7.122 135 HB THR 21 HB THR 21 -9.994 -1.132 -5.404 136 HG1 THR 21 HG1 THR 21 -9.687 -0.399 -3.463 137 1HG2 THR 21 HG21 THR 21 -8.115 -1.746 -6.833 138 2HG2 THR 21 HG22 THR 21 -7.821 -2.334 -5.196 139 3HG2 THR 21 HG23 THR 21 -6.996 -0.887 -5.775 140 H GLY 22 HN GLY 22 -9.021 2.056 -3.933 141 1HA GLY 22 HA2 GLY 22 -10.609 4.154 -3.907 142 2HA GLY 22 HA1 GLY 22 -11.862 2.929 -4.098 143 H TYR 23 HN TYR 23 -9.830 1.209 -2.387 144 HA TYR 23 HA TYR 23 -11.065 2.023 0.185 145 1HB TYR 23 HB2 TYR 23 -9.994 -0.503 -0.955 146 2HB TYR 23 HB1 TYR 23 -9.761 -0.270 0.778 147 HD1 TYR 23 HD1 TYR 23 -11.662 -0.108 2.302 148 HD2 TYR 23 HD2 TYR 23 -12.240 -0.673 -1.917 149 HE1 TYR 23 HE1 TYR 23 -14.032 -0.714 2.708 150 HE2 TYR 23 HE2 TYR 23 -14.612 -1.278 -1.511 151 HH TYR 23 HH TYR 23 -15.822 -1.971 1.602 152 HA PRO 24 HA PRO 24 -7.050 3.723 1.212 153 1HB PRO 24 HB2 PRO 24 -7.879 4.875 3.564 154 2HB PRO 24 HB1 PRO 24 -8.167 5.594 1.969 155 1HG PRO 24 HG2 PRO 24 -10.093 4.226 3.784 156 2HG PRO 24 HG1 PRO 24 -10.401 5.438 2.528 157 1HD PRO 24 HD2 PRO 24 -10.823 2.636 2.300 158 2HD PRO 24 HD1 PRO 24 -10.871 3.821 0.978 159 H ASN 25 HN ASN 25 -7.503 0.926 1.797 160 HA ASN 25 HA ASN 25 -6.188 0.769 4.470 161 1HB ASN 25 HB2 ASN 25 -8.742 -0.349 3.678 162 2HB ASN 25 HB1 ASN 25 -7.616 -1.630 4.128 163 1HD2 ASN 25 HD21 ASN 25 -7.091 -1.860 6.351 164 2HD2 ASN 25 HD22 ASN 25 -7.691 -0.836 7.566 165 H ALA 26 HN ALA 26 -4.130 0.378 3.621 166 HA ALA 26 HA ALA 26 -3.817 -2.237 2.231 167 1HB ALA 26 HB1 ALA 26 -2.267 0.215 1.379 168 2HB ALA 26 HB2 ALA 26 -3.778 -0.256 0.600 169 3HB ALA 26 HB3 ALA 26 -2.386 -1.338 0.552 170 H LYS 27 HN LYS 27 -1.181 -2.494 2.034 171 HA LYS 27 HA LYS 27 0.093 -1.516 4.525 172 1HB LYS 27 HB2 LYS 27 -0.823 -4.279 4.047 173 2HB LYS 27 HB1 LYS 27 0.853 -4.150 4.582 174 1HG LYS 27 HG2 LYS 27 -0.246 -4.194 6.629 175 2HG LYS 27 HG1 LYS 27 -0.164 -2.456 6.338 176 1HD LYS 27 HD2 LYS 27 -2.409 -2.296 6.225 177 2HD LYS 27 HD1 LYS 27 -2.498 -3.614 5.056 178 1HE LYS 27 HE2 LYS 27 -3.651 -4.546 6.850 179 2HE LYS 27 HE1 LYS 27 -2.014 -5.116 7.174 180 1HZ LYS 27 HZ1 LYS 27 -3.033 -4.155 9.146 181 2HZ LYS 27 HZ2 LYS 27 -3.252 -2.679 8.334 182 3HZ LYS 27 HZ3 LYS 27 -1.685 -3.248 8.659 183 H CYS 28 HN CYS 28 2.419 -1.743 4.476 184 HA CYS 28 HA CYS 28 3.489 -2.212 1.718 185 1HB CYS 28 HB2 CYS 28 3.735 0.025 3.466 186 2HB CYS 28 HB1 CYS 28 5.319 -0.743 3.375 187 H MET 29 HN MET 29 3.950 -4.453 2.075 188 HA MET 29 HA MET 29 5.974 -4.988 4.211 189 1HB MET 29 HB2 MET 29 3.867 -6.721 2.925 190 2HB MET 29 HB1 MET 29 5.257 -7.438 3.741 191 1HG MET 29 HG2 MET 29 4.692 -6.104 5.779 192 2HG MET 29 HG1 MET 29 3.237 -5.535 4.959 193 1HE MET 29 HE1 MET 29 3.211 -8.074 7.915 194 2HE MET 29 HE2 MET 29 1.671 -7.380 7.414 195 3HE MET 29 HE3 MET 29 3.121 -6.378 7.416 196 H ASN 30 HN ASN 30 7.978 -5.674 3.577 197 HA ASN 30 HA ASN 30 9.760 -6.117 2.113 198 1HB ASN 30 HB2 ASN 30 7.864 -8.132 1.859 199 2HB ASN 30 HB1 ASN 30 8.174 -7.651 0.191 200 1HD2 ASN 30 HD21 ASN 30 9.212 -9.932 0.161 201 2HD2 ASN 30 HD22 ASN 30 10.837 -10.048 0.636 202 H ARG 31 HN ARG 31 8.947 -3.655 1.573 203 HA ARG 31 HA ARG 31 8.588 -2.034 -0.104 204 1HB ARG 31 HB2 ARG 31 10.079 -3.950 -1.897 205 2HB ARG 31 HB1 ARG 31 10.157 -2.188 -1.865 206 1HG ARG 31 HG2 ARG 31 11.873 -2.279 -0.418 207 2HG ARG 31 HG1 ARG 31 10.865 -3.158 0.731 208 1HD ARG 31 HD2 ARG 31 11.501 -5.273 -0.176 209 2HD ARG 31 HD1 ARG 31 12.224 -4.521 -1.599 210 HE ARG 31 HE ARG 31 13.417 -3.849 1.027 211 1HH1 ARG 31 HH11 ARG 31 14.193 -4.006 -2.131 212 2HH1 ARG 31 HH12 ARG 31 15.568 -5.049 -1.974 213 1HH2 ARG 31 HH21 ARG 31 14.894 -5.877 1.326 214 2HH2 ARG 31 HH22 ARG 31 15.965 -6.108 -0.015 215 H LYS 32 HN LYS 32 6.506 -4.085 0.115 216 HA LYS 32 HA LYS 32 5.548 -4.037 -2.719 217 1HB LYS 32 HB2 LYS 32 6.177 -6.332 -1.451 218 2HB LYS 32 HB1 LYS 32 4.517 -6.144 -0.886 219 1HG LYS 32 HG2 LYS 32 3.640 -6.185 -3.080 220 2HG LYS 32 HG1 LYS 32 5.212 -5.853 -3.807 221 1HD LYS 32 HD2 LYS 32 5.566 -8.207 -2.305 222 2HD LYS 32 HD1 LYS 32 4.023 -8.406 -3.135 223 1HE LYS 32 HE2 LYS 32 5.579 -7.315 -5.115 224 2HE LYS 32 HE1 LYS 32 6.751 -8.305 -4.243 225 1HZ LYS 32 HZ1 LYS 32 5.306 -9.346 -6.109 226 2HZ LYS 32 HZ2 LYS 32 4.114 -9.427 -4.900 227 3HZ LYS 32 HZ3 LYS 32 5.602 -10.222 -4.687 228 H CYS 33 HN CYS 33 3.398 -3.386 -2.991 229 HA CYS 33 HA CYS 33 2.079 -2.346 -0.527 230 1HB CYS 33 HB2 CYS 33 2.257 -1.431 -3.331 231 2HB CYS 33 HB1 CYS 33 0.655 -1.287 -2.607 232 H LYS 34 HN LYS 34 -0.068 -2.920 -0.072 233 HA LYS 34 HA LYS 34 -1.391 -4.837 -1.925 234 1HB LYS 34 HB2 LYS 34 -0.093 -5.629 0.437 235 2HB LYS 34 HB1 LYS 34 -1.808 -5.591 0.849 236 1HG LYS 34 HG2 LYS 34 -2.372 -7.135 -0.851 237 2HG LYS 34 HG1 LYS 34 -0.837 -6.903 -1.688 238 1HD LYS 34 HD2 LYS 34 -0.521 -8.956 -0.591 239 2HD LYS 34 HD1 LYS 34 0.229 -7.803 0.514 240 1HE LYS 34 HE2 LYS 34 -1.309 -8.187 2.130 241 2HE LYS 34 HE1 LYS 34 -2.647 -8.137 0.983 242 1HZ LYS 34 HZ1 LYS 34 -2.660 -10.342 0.806 243 2HZ LYS 34 HZ2 LYS 34 -1.689 -10.363 2.200 244 3HZ LYS 34 HZ3 LYS 34 -0.974 -10.444 0.661 245 H CYS 35 HN CYS 35 -3.218 -3.694 -2.402 246 HA CYS 35 HA CYS 35 -4.546 -2.134 -0.250 247 1HB CYS 35 HB2 CYS 35 -5.605 -2.236 -3.049 248 2HB CYS 35 HB1 CYS 35 -5.566 -0.886 -1.917 249 H PHE 36 HN PHE 36 -6.516 -2.746 0.600 250 HA PHE 36 HA PHE 36 -7.415 -5.459 0.199 251 1HB PHE 36 HB2 PHE 36 -8.205 -3.138 1.850 252 2HB PHE 36 HB1 PHE 36 -9.524 -4.233 1.436 253 HD1 PHE 36 HD1 PHE 36 -7.515 -3.605 4.037 254 HD2 PHE 36 HD2 PHE 36 -8.317 -6.851 1.341 255 HE1 PHE 36 HE1 PHE 36 -6.719 -5.219 5.743 256 HE2 PHE 36 HE2 PHE 36 -7.522 -8.465 3.046 257 HZ PHE 36 HZ PHE 36 -6.722 -7.650 5.248 258 H GLY 37 HN GLY 37 -8.901 -2.306 -0.632 259 1HA GLY 37 HA2 GLY 37 -10.434 -1.763 -2.322 260 2HA GLY 37 HA1 GLY 37 -9.814 -3.166 -3.194 261 H ARG 38 HN ARG 38 -10.954 -3.927 -0.075 262 HA ARG 38 HA ARG 38 -13.732 -4.142 -0.361 263 1HB ARG 38 HB2 ARG 38 -13.852 -6.624 -1.039 264 2HB ARG 38 HB1 ARG 38 -13.544 -5.461 -2.330 265 1HG ARG 38 HG2 ARG 38 -11.115 -5.899 -2.132 266 2HG ARG 38 HG1 ARG 38 -11.441 -7.086 -0.869 267 1HD ARG 38 HD2 ARG 38 -12.642 -7.258 -3.643 268 2HD ARG 38 HD1 ARG 38 -11.134 -8.055 -3.195 269 HE ARG 38 HE ARG 38 -13.113 -8.780 -1.284 270 1HH1 ARG 38 HH11 ARG 38 -11.322 -10.146 -3.641 271 2HH1 ARG 38 HH12 ARG 38 -12.523 -11.250 -4.223 272 1HH2 ARG 38 HH21 ARG 38 -15.114 -9.780 -2.450 273 2HH2 ARG 38 HH22 ARG 38 -14.669 -11.043 -3.548 Start of MODEL 14 1 1H THR 4 HT1 THR 4 2.563 -5.935 -7.402 2 2H THR 4 HT2 THR 4 2.561 -5.853 -5.705 3 3H THR 4 HT3 THR 4 3.892 -5.268 -6.585 4 HA THR 4 HA THR 4 1.699 -3.919 -7.585 5 HB THR 4 HB THR 4 1.746 -3.493 -4.620 6 HG1 THR 4 HG1 THR 4 -0.219 -4.982 -4.818 7 1HG2 THR 4 HG21 THR 4 -0.833 -3.375 -5.815 8 2HG2 THR 4 HG22 THR 4 0.288 -2.561 -6.905 9 3HG2 THR 4 HG23 THR 4 0.151 -2.034 -5.228 10 H ILE 5 HN ILE 5 1.961 -1.509 -6.289 11 HA ILE 5 HA ILE 5 4.524 -0.598 -7.128 12 HB ILE 5 HB ILE 5 3.017 0.874 -5.028 13 1HG1 ILE 5 HG12 ILE 5 2.072 0.292 -7.836 14 2HG1 ILE 5 HG11 ILE 5 1.161 0.159 -6.332 15 1HG2 ILE 5 HG21 ILE 5 5.134 1.451 -6.708 16 2HG2 ILE 5 HG22 ILE 5 4.148 2.641 -5.858 17 3HG2 ILE 5 HG23 ILE 5 3.761 2.201 -7.521 18 1HD1 ILE 5 HD11 ILE 5 1.373 2.653 -6.065 19 2HD1 ILE 5 HD12 ILE 5 0.428 2.167 -7.472 20 3HD1 ILE 5 HD13 ILE 5 2.093 2.713 -7.674 21 H SER 6 HN SER 6 6.226 0.323 -5.717 22 HA SER 6 HA SER 6 6.676 -1.444 -3.378 23 1HB SER 6 HB2 SER 6 8.390 -0.836 -5.324 24 2HB SER 6 HB1 SER 6 8.700 0.560 -4.296 25 HG SER 6 HG SER 6 9.853 -1.633 -3.987 26 H CYS 7 HN CYS 7 7.069 -0.591 -1.292 27 HA CYS 7 HA CYS 7 6.792 2.338 -0.931 28 1HB CYS 7 HB2 CYS 7 5.087 1.852 0.919 29 2HB CYS 7 HB1 CYS 7 4.505 1.687 -0.738 30 H THR 8 HN THR 8 6.898 2.716 1.624 31 HA THR 8 HA THR 8 8.786 0.786 2.867 32 HB THR 8 HB THR 8 10.259 2.419 1.856 33 HG1 THR 8 HG1 THR 8 11.160 2.173 3.741 34 1HG2 THR 8 HG21 THR 8 9.731 4.603 1.597 35 2HG2 THR 8 HG22 THR 8 9.249 4.770 3.285 36 3HG2 THR 8 HG23 THR 8 8.107 4.138 2.099 37 H ASN 9 HN ASN 9 5.932 2.116 3.142 38 HA ASN 9 HA ASN 9 5.942 2.039 6.061 39 1HB ASN 9 HB2 ASN 9 6.479 4.508 4.959 40 2HB ASN 9 HB1 ASN 9 4.726 4.561 5.147 41 1HD2 ASN 9 HD21 ASN 9 4.151 5.420 7.143 42 2HD2 ASN 9 HD22 ASN 9 5.011 5.197 8.588 43 H GLU 10 HN GLU 10 3.670 2.259 6.896 44 HA GLU 10 HA GLU 10 1.838 0.777 5.249 45 1HB GLU 10 HB2 GLU 10 1.974 1.064 7.867 46 2HB GLU 10 HB1 GLU 10 0.903 2.432 7.572 47 1HG GLU 10 HG2 GLU 10 -0.707 0.990 6.448 48 2HG GLU 10 HG1 GLU 10 0.386 -0.387 6.586 49 H LYS 11 HN LYS 11 1.905 4.209 6.245 50 HA LYS 11 HA LYS 11 -0.435 4.927 4.726 51 1HB LYS 11 HB2 LYS 11 0.755 6.198 6.671 52 2HB LYS 11 HB1 LYS 11 1.766 6.868 5.390 53 1HG LYS 11 HG2 LYS 11 -0.249 7.666 4.212 54 2HG LYS 11 HG1 LYS 11 -1.262 7.003 5.495 55 1HD LYS 11 HD2 LYS 11 -0.911 9.402 5.865 56 2HD LYS 11 HD1 LYS 11 -0.114 8.472 7.135 57 1HE LYS 11 HE2 LYS 11 1.657 8.844 4.868 58 2HE LYS 11 HE1 LYS 11 1.076 10.396 5.469 59 1HZ LYS 11 HZ1 LYS 11 3.141 9.184 6.530 60 2HZ LYS 11 HZ2 LYS 11 1.929 8.412 7.438 61 3HZ LYS 11 HZ3 LYS 11 2.070 10.105 7.469 62 H GLN 12 HN GLN 12 2.611 3.996 3.673 63 HA GLN 12 HA GLN 12 3.011 5.869 1.518 64 1HB GLN 12 HB2 GLN 12 4.042 3.105 2.119 65 2HB GLN 12 HB1 GLN 12 4.390 3.873 0.570 66 1HG GLN 12 HG2 GLN 12 5.021 5.029 3.303 67 2HG GLN 12 HG1 GLN 12 6.192 4.347 2.173 68 1HE2 GLN 12 HE21 GLN 12 6.839 5.640 0.357 69 2HE2 GLN 12 HE22 GLN 12 6.337 7.248 0.154 70 H CYS 13 HN CYS 13 0.993 3.033 1.888 71 HA CYS 13 HA CYS 13 0.327 3.182 -1.025 72 1HB CYS 13 HB2 CYS 13 -0.554 0.959 0.807 73 2HB CYS 13 HB1 CYS 13 -0.322 0.925 -0.941 74 H TYR 14 HN TYR 14 -0.684 4.639 1.618 75 HA TYR 14 HA TYR 14 -3.508 3.961 1.680 76 1HB TYR 14 HB2 TYR 14 -1.706 5.840 3.055 77 2HB TYR 14 HB1 TYR 14 -3.341 6.456 2.816 78 HD1 TYR 14 HD1 TYR 14 -2.047 2.989 3.430 79 HD2 TYR 14 HD2 TYR 14 -4.509 6.220 4.828 80 HE1 TYR 14 HE1 TYR 14 -2.858 1.567 5.295 81 HE2 TYR 14 HE2 TYR 14 -5.317 4.799 6.691 82 HH TYR 14 HH TYR 14 -5.435 1.923 6.888 83 HA PRO 15 HA PRO 15 -3.959 8.034 -0.766 84 1HB PRO 15 HB2 PRO 15 -1.666 9.195 -1.740 85 2HB PRO 15 HB1 PRO 15 -2.360 9.569 -0.154 86 1HG PRO 15 HG2 PRO 15 0.047 7.941 -0.811 87 2HG PRO 15 HG1 PRO 15 -0.332 8.835 0.670 88 1HD PRO 15 HD2 PRO 15 -0.570 6.037 0.306 89 2HD PRO 15 HD1 PRO 15 -1.229 6.976 1.662 90 H HIS 16 HN HIS 16 -1.436 5.809 -1.849 91 HA HIS 16 HA HIS 16 -1.976 6.318 -4.675 92 1HB HIS 16 HB2 HIS 16 0.072 5.414 -4.867 93 2HB HIS 16 HB1 HIS 16 0.075 5.043 -3.149 94 HD1 HIS 16 HD1 HIS 16 -1.341 3.510 -6.356 95 HD2 HIS 16 HD2 HIS 16 0.241 2.327 -2.685 96 HE1 HIS 16 HE1 HIS 16 -1.229 0.980 -6.405 97 H CYS 17 HN CYS 17 -2.652 3.609 -2.426 98 HA CYS 17 HA CYS 17 -4.192 2.205 -4.469 99 1HB CYS 17 HB2 CYS 17 -3.332 1.703 -1.694 100 2HB CYS 17 HB1 CYS 17 -4.893 1.003 -2.119 101 H LYS 18 HN LYS 18 -4.970 4.358 -1.760 102 HA LYS 18 HA LYS 18 -7.750 3.793 -1.616 103 1HB LYS 18 HB2 LYS 18 -6.547 5.246 0.005 104 2HB LYS 18 HB1 LYS 18 -6.419 6.492 -1.238 105 1HG LYS 18 HG2 LYS 18 -8.999 6.257 -1.427 106 2HG LYS 18 HG1 LYS 18 -8.891 5.451 0.139 107 1HD LYS 18 HD2 LYS 18 -7.524 7.494 0.903 108 2HD LYS 18 HD1 LYS 18 -8.117 8.286 -0.557 109 1HE LYS 18 HE2 LYS 18 -10.273 8.413 0.221 110 2HE LYS 18 HE1 LYS 18 -10.148 6.899 1.117 111 1HZ LYS 18 HZ1 LYS 18 -9.965 9.449 2.140 112 2HZ LYS 18 HZ2 LYS 18 -8.377 8.849 2.171 113 3HZ LYS 18 HZ3 LYS 18 -9.624 7.999 2.950 114 H LYS 19 HN LYS 19 -5.989 6.081 -3.716 115 HA LYS 19 HA LYS 19 -8.459 6.927 -5.034 116 1HB LYS 19 HB2 LYS 19 -6.482 8.430 -4.767 117 2HB LYS 19 HB1 LYS 19 -5.589 7.395 -5.883 118 1HG LYS 19 HG2 LYS 19 -6.449 9.133 -7.247 119 2HG LYS 19 HG1 LYS 19 -7.543 7.776 -7.518 120 1HD LYS 19 HD2 LYS 19 -9.291 8.811 -6.484 121 2HD LYS 19 HD1 LYS 19 -8.260 9.529 -5.247 122 1HE LYS 19 HE2 LYS 19 -7.382 10.930 -7.358 123 2HE LYS 19 HE1 LYS 19 -9.012 10.581 -7.934 124 1HZ LYS 19 HZ1 LYS 19 -9.600 12.326 -6.703 125 2HZ LYS 19 HZ2 LYS 19 -8.148 12.331 -5.822 126 3HZ LYS 19 HZ3 LYS 19 -9.419 11.302 -5.364 127 H GLU 20 HN GLU 20 -5.880 4.601 -5.701 128 HA GLU 20 HA GLU 20 -6.653 4.171 -8.461 129 1HB GLU 20 HB2 GLU 20 -4.455 3.523 -7.008 130 2HB GLU 20 HB1 GLU 20 -5.297 1.973 -7.012 131 1HG GLU 20 HG2 GLU 20 -5.585 2.345 -9.549 132 2HG GLU 20 HG1 GLU 20 -4.350 3.592 -9.377 133 H THR 21 HN THR 21 -6.934 1.977 -5.645 134 HA THR 21 HA THR 21 -9.045 0.480 -7.053 135 HB THR 21 HB THR 21 -8.894 -0.632 -4.556 136 HG1 THR 21 HG1 THR 21 -6.279 0.220 -5.206 137 1HG2 THR 21 HG21 THR 21 -7.958 -1.183 -7.214 138 2HG2 THR 21 HG22 THR 21 -8.390 -2.325 -5.941 139 3HG2 THR 21 HG23 THR 21 -6.740 -1.714 -6.053 140 H GLY 22 HN GLY 22 -8.735 2.682 -4.303 141 1HA GLY 22 HA2 GLY 22 -10.720 4.103 -3.811 142 2HA GLY 22 HA1 GLY 22 -11.722 2.684 -4.123 143 H TYR 23 HN TYR 23 -9.573 1.043 -2.672 144 HA TYR 23 HA TYR 23 -10.681 1.531 0.039 145 1HB TYR 23 HB2 TYR 23 -9.552 -0.828 -1.399 146 2HB TYR 23 HB1 TYR 23 -9.341 -0.765 0.351 147 HD1 TYR 23 HD1 TYR 23 -12.167 0.583 -1.682 148 HD2 TYR 23 HD2 TYR 23 -10.876 -2.385 1.143 149 HE1 TYR 23 HE1 TYR 23 -14.518 -0.141 -1.368 150 HE2 TYR 23 HE2 TYR 23 -13.227 -3.109 1.456 151 HH TYR 23 HH TYR 23 -15.468 -2.871 -0.279 152 HA PRO 24 HA PRO 24 -6.646 3.299 0.905 153 1HB PRO 24 HB2 PRO 24 -7.347 4.242 3.393 154 2HB PRO 24 HB1 PRO 24 -7.732 5.086 1.883 155 1HG PRO 24 HG2 PRO 24 -9.533 3.511 3.668 156 2HG PRO 24 HG1 PRO 24 -9.924 4.856 2.584 157 1HD PRO 24 HD2 PRO 24 -10.397 2.128 2.044 158 2HD PRO 24 HD1 PRO 24 -10.421 3.441 0.847 159 H ASN 25 HN ASN 25 -8.435 0.891 2.639 160 HA ASN 25 HA ASN 25 -6.602 0.320 4.755 161 1HB ASN 25 HB2 ASN 25 -8.666 -1.322 3.287 162 2HB ASN 25 HB1 ASN 25 -7.652 -2.042 4.539 163 1HD2 ASN 25 HD21 ASN 25 -10.435 -0.048 3.980 164 2HD2 ASN 25 HD22 ASN 25 -10.740 0.348 5.603 165 H ALA 26 HN ALA 26 -4.473 0.399 3.867 166 HA ALA 26 HA ALA 26 -3.727 -2.071 2.390 167 1HB ALA 26 HB1 ALA 26 -3.998 -0.155 0.762 168 2HB ALA 26 HB2 ALA 26 -2.382 -0.860 0.792 169 3HB ALA 26 HB3 ALA 26 -2.691 0.669 1.614 170 H LYS 27 HN LYS 27 -1.729 -2.883 3.023 171 HA LYS 27 HA LYS 27 -0.241 -1.269 5.058 172 1HB LYS 27 HB2 LYS 27 -0.421 -4.291 4.912 173 2HB LYS 27 HB1 LYS 27 0.309 -3.333 6.201 174 1HG LYS 27 HG2 LYS 27 -1.683 -3.076 7.217 175 2HG LYS 27 HG1 LYS 27 -2.411 -2.471 5.729 176 1HD LYS 27 HD2 LYS 27 -3.545 -4.527 6.487 177 2HD LYS 27 HD1 LYS 27 -2.737 -4.786 4.941 178 1HE LYS 27 HE2 LYS 27 -1.046 -5.322 7.295 179 2HE LYS 27 HE1 LYS 27 -2.430 -6.402 7.135 180 1HZ LYS 27 HZ1 LYS 27 -0.048 -6.252 5.558 181 2HZ LYS 27 HZ2 LYS 27 -1.453 -6.199 4.602 182 3HZ LYS 27 HZ3 LYS 27 -1.194 -7.498 5.667 183 H CYS 28 HN CYS 28 2.036 -1.286 4.892 184 HA CYS 28 HA CYS 28 3.052 -2.277 2.278 185 1HB CYS 28 HB2 CYS 28 3.407 0.123 2.895 186 2HB CYS 28 HB1 CYS 28 4.389 -0.412 4.260 187 H MET 29 HN MET 29 4.484 -3.943 2.186 188 HA MET 29 HA MET 29 5.988 -4.720 4.618 189 1HB MET 29 HB2 MET 29 3.625 -6.034 3.886 190 2HB MET 29 HB1 MET 29 4.913 -7.069 3.271 191 1HG MET 29 HG2 MET 29 5.597 -6.108 5.908 192 2HG MET 29 HG1 MET 29 4.011 -6.879 5.938 193 1HE MET 29 HE1 MET 29 7.200 -6.984 6.543 194 2HE MET 29 HE2 MET 29 8.048 -8.401 5.930 195 3HE MET 29 HE3 MET 29 7.005 -8.550 7.342 196 H ASN 30 HN ASN 30 7.988 -5.594 4.100 197 HA ASN 30 HA ASN 30 9.868 -5.842 2.691 198 1HB ASN 30 HB2 ASN 30 7.776 -7.800 1.944 199 2HB ASN 30 HB1 ASN 30 9.063 -7.582 0.756 200 1HD2 ASN 30 HD21 ASN 30 8.984 -7.660 4.374 201 2HD2 ASN 30 HD22 ASN 30 10.248 -8.784 4.518 202 H ARG 31 HN ARG 31 9.137 -3.465 2.004 203 HA ARG 31 HA ARG 31 8.768 -1.906 0.270 204 1HB ARG 31 HB2 ARG 31 10.321 -3.912 -1.375 205 2HB ARG 31 HB1 ARG 31 10.332 -2.153 -1.510 206 1HG ARG 31 HG2 ARG 31 11.057 -3.091 1.171 207 2HG ARG 31 HG1 ARG 31 12.164 -3.661 -0.079 208 1HD ARG 31 HD2 ARG 31 11.395 -0.839 -0.383 209 2HD ARG 31 HD1 ARG 31 12.278 -1.177 1.106 210 HE ARG 31 HE ARG 31 13.343 -1.421 -1.631 211 1HH1 ARG 31 HH21 ARG 31 14.435 -0.302 1.128 212 2HH1 ARG 31 HH22 ARG 31 15.781 -1.370 1.339 213 1HH2 ARG 31 HH11 ARG 31 14.740 -3.593 -1.114 214 2HH2 ARG 31 HH12 ARG 31 15.954 -3.235 0.069 215 H LYS 32 HN LYS 32 6.470 -3.375 0.468 216 HA LYS 32 HA LYS 32 5.663 -3.569 -2.379 217 1HB LYS 32 HB2 LYS 32 6.245 -5.874 -0.997 218 2HB LYS 32 HB1 LYS 32 4.510 -5.711 -0.719 219 1HG LYS 32 HG2 LYS 32 4.352 -6.745 -2.749 220 2HG LYS 32 HG1 LYS 32 4.635 -5.118 -3.369 221 1HD LYS 32 HD2 LYS 32 6.479 -5.915 -4.389 222 2HD LYS 32 HD1 LYS 32 7.190 -6.126 -2.788 223 1HE LYS 32 HE2 LYS 32 6.233 -8.385 -2.640 224 2HE LYS 32 HE1 LYS 32 5.479 -8.178 -4.221 225 1HZ LYS 32 HZ1 LYS 32 8.125 -7.532 -4.580 226 2HZ LYS 32 HZ2 LYS 32 7.349 -8.957 -5.086 227 3HZ LYS 32 HZ3 LYS 32 8.151 -8.907 -3.589 228 H CYS 33 HN CYS 33 3.519 -2.925 -2.698 229 HA CYS 33 HA CYS 33 2.161 -1.833 -0.289 230 1HB CYS 33 HB2 CYS 33 2.038 -1.270 -3.229 231 2HB CYS 33 HB1 CYS 33 0.617 -0.918 -2.248 232 H LYS 34 HN LYS 34 1.198 -3.724 0.577 233 HA LYS 34 HA LYS 34 -0.518 -5.360 -1.191 234 1HB LYS 34 HB2 LYS 34 0.920 -5.836 1.207 235 2HB LYS 34 HB1 LYS 34 -0.789 -6.011 1.602 236 1HG LYS 34 HG2 LYS 34 -0.265 -7.243 -0.949 237 2HG LYS 34 HG1 LYS 34 0.859 -7.876 0.252 238 1HD LYS 34 HD2 LYS 34 -0.780 -9.143 1.120 239 2HD LYS 34 HD1 LYS 34 -1.709 -7.688 1.482 240 1HE LYS 34 HE2 LYS 34 -3.197 -8.287 -0.094 241 2HE LYS 34 HE1 LYS 34 -1.933 -8.115 -1.311 242 1HZ LYS 34 HZ1 LYS 34 -3.176 -10.446 -0.523 243 2HZ LYS 34 HZ2 LYS 34 -1.612 -10.532 0.134 244 3HZ LYS 34 HZ3 LYS 34 -1.825 -10.302 -1.537 245 H CYS 35 HN CYS 35 -2.202 -3.887 -1.697 246 HA CYS 35 HA CYS 35 -3.693 -2.642 0.528 247 1HB CYS 35 HB2 CYS 35 -4.521 -2.541 -2.364 248 2HB CYS 35 HB1 CYS 35 -4.762 -1.334 -1.101 249 H PHE 36 HN PHE 36 -6.174 -2.837 0.362 250 HA PHE 36 HA PHE 36 -6.828 -5.711 0.286 251 1HB PHE 36 HB2 PHE 36 -8.358 -3.250 1.163 252 2HB PHE 36 HB1 PHE 36 -9.080 -4.856 1.130 253 HD1 PHE 36 HD1 PHE 36 -9.229 -3.871 3.686 254 HD2 PHE 36 HD2 PHE 36 -5.711 -5.422 1.768 255 HE1 PHE 36 HE1 PHE 36 -8.237 -4.364 5.904 256 HE2 PHE 36 HE2 PHE 36 -4.721 -5.915 3.986 257 HZ PHE 36 HZ PHE 36 -5.983 -5.386 6.054 258 H GLY 37 HN GLY 37 -7.585 -2.739 -1.462 259 1HA GLY 37 HA2 GLY 37 -8.923 -2.389 -3.376 260 2HA GLY 37 HA1 GLY 37 -8.101 -3.845 -3.941 261 H ARG 38 HN ARG 38 -10.291 -3.752 -1.173 262 HA ARG 38 HA ARG 38 -11.936 -5.828 -2.462 263 1HB ARG 38 HB2 ARG 38 -11.300 -5.067 0.228 264 2HB ARG 38 HB1 ARG 38 -13.053 -5.007 0.028 265 1HG ARG 38 HG2 ARG 38 -12.060 -7.345 -1.304 266 2HG ARG 38 HG1 ARG 38 -11.414 -7.313 0.337 267 1HD ARG 38 HD2 ARG 38 -13.411 -7.986 1.120 268 2HD ARG 38 HD1 ARG 38 -14.138 -6.508 0.490 269 HE ARG 38 HE ARG 38 -13.823 -8.924 -1.243 270 1HH1 ARG 38 HH21 ARG 38 -15.994 -7.297 0.740 271 2HH1 ARG 38 HH22 ARG 38 -17.260 -7.189 -0.439 272 1HH2 ARG 38 HH11 ARG 38 -15.299 -8.384 -3.039 273 2HH2 ARG 38 HH12 ARG 38 -16.864 -7.799 -2.581 Start of MODEL 15 1 1H THR 4 HT1 THR 4 4.933 -3.422 -6.923 2 2H THR 4 HT2 THR 4 5.241 -3.116 -5.280 3 3H THR 4 HT3 THR 4 6.274 -2.487 -6.473 4 HA THR 4 HA THR 4 3.912 -1.475 -7.248 5 HB THR 4 HB THR 4 3.910 -0.989 -4.298 6 HG1 THR 4 HG1 THR 4 2.524 -3.151 -5.472 7 1HG2 THR 4 HG21 THR 4 2.265 -0.438 -6.596 8 2HG2 THR 4 HG22 THR 4 2.095 0.165 -4.948 9 3HG2 THR 4 HG23 THR 4 1.334 -1.356 -5.413 10 H ILE 5 HN ILE 5 3.927 0.832 -5.379 11 HA ILE 5 HA ILE 5 6.106 2.290 -6.542 12 HB ILE 5 HB ILE 5 5.363 4.002 -4.777 13 1HG1 ILE 5 HG12 ILE 5 2.992 2.186 -4.456 14 2HG1 ILE 5 HG11 ILE 5 4.373 2.051 -3.367 15 1HG2 ILE 5 HG21 ILE 5 4.047 4.750 -6.441 16 2HG2 ILE 5 HG22 ILE 5 2.878 3.464 -6.142 17 3HG2 ILE 5 HG23 ILE 5 4.242 3.182 -7.224 18 1HD1 ILE 5 HD11 ILE 5 2.824 4.604 -3.892 19 2HD1 ILE 5 HD12 ILE 5 4.156 4.412 -2.753 20 3HD1 ILE 5 HD13 ILE 5 2.628 3.579 -2.470 21 H SER 6 HN SER 6 7.364 3.725 -4.682 22 HA SER 6 HA SER 6 8.892 1.684 -3.157 23 1HB SER 6 HB2 SER 6 10.629 3.355 -2.991 24 2HB SER 6 HB1 SER 6 10.060 3.355 -4.658 25 HG SER 6 HG SER 6 10.182 5.395 -3.068 26 H CYS 7 HN CYS 7 7.592 1.342 -1.322 27 HA CYS 7 HA CYS 7 7.120 3.768 0.364 28 1HB CYS 7 HB2 CYS 7 5.148 2.690 1.260 29 2HB CYS 7 HB1 CYS 7 5.040 2.649 -0.498 30 H THR 8 HN THR 8 7.224 3.397 2.681 31 HA THR 8 HA THR 8 8.697 0.958 3.528 32 HB THR 8 HB THR 8 10.561 2.350 3.399 33 HG1 THR 8 HG1 THR 8 10.876 2.098 5.448 34 1HG2 THR 8 HG21 THR 8 9.655 4.353 2.556 35 2HG2 THR 8 HG22 THR 8 10.334 4.832 4.111 36 3HG2 THR 8 HG23 THR 8 8.597 4.566 3.951 37 H ASN 9 HN ASN 9 5.975 2.470 3.794 38 HA ASN 9 HA ASN 9 5.554 1.732 6.598 39 1HB ASN 9 HB2 ASN 9 6.425 4.166 6.528 40 2HB ASN 9 HB1 ASN 9 4.871 4.563 5.794 41 1HD2 ASN 9 HD21 ASN 9 6.161 2.768 8.652 42 2HD2 ASN 9 HD22 ASN 9 4.905 3.237 9.693 43 H GLU 10 HN GLU 10 3.260 1.591 7.081 44 HA GLU 10 HA GLU 10 1.641 0.758 4.887 45 1HB GLU 10 HB2 GLU 10 -0.217 0.769 6.542 46 2HB GLU 10 HB1 GLU 10 1.228 -0.020 7.172 47 1HG GLU 10 HG2 GLU 10 1.242 2.854 7.681 48 2HG GLU 10 HG1 GLU 10 -0.160 2.060 8.399 49 H LYS 11 HN LYS 11 2.257 3.905 6.196 50 HA LYS 11 HA LYS 11 -0.186 5.163 5.276 51 1HB LYS 11 HB2 LYS 11 1.084 6.257 7.010 52 2HB LYS 11 HB1 LYS 11 2.537 6.272 6.009 53 1HG LYS 11 HG2 LYS 11 1.806 8.032 4.728 54 2HG LYS 11 HG1 LYS 11 0.111 7.564 4.864 55 1HD LYS 11 HD2 LYS 11 0.113 9.439 6.223 56 2HD LYS 11 HD1 LYS 11 0.501 8.198 7.418 57 1HE LYS 11 HE2 LYS 11 2.649 9.681 5.892 58 2HE LYS 11 HE1 LYS 11 1.996 10.283 7.417 59 1HZ LYS 11 HZ1 LYS 11 3.952 8.335 7.043 60 2HZ LYS 11 HZ2 LYS 11 2.589 7.552 7.687 61 3HZ LYS 11 HZ3 LYS 11 3.280 8.869 8.506 62 H GLN 12 HN GLN 12 2.964 4.515 3.832 63 HA GLN 12 HA GLN 12 2.654 6.269 1.574 64 1HB GLN 12 HB2 GLN 12 4.462 4.058 2.358 65 2HB GLN 12 HB1 GLN 12 4.299 4.332 0.624 66 1HG GLN 12 HG2 GLN 12 5.864 5.945 0.923 67 2HG GLN 12 HG1 GLN 12 4.538 6.899 1.590 68 1HE2 GLN 12 HE21 GLN 12 4.152 6.480 4.058 69 2HE2 GLN 12 HE22 GLN 12 5.539 6.279 5.016 70 H CYS 13 HN CYS 13 1.022 3.399 2.379 71 HA CYS 13 HA CYS 13 0.345 2.956 -0.505 72 1HB CYS 13 HB2 CYS 13 -0.044 0.957 1.732 73 2HB CYS 13 HB1 CYS 13 -0.092 0.661 -0.005 74 H TYR 14 HN TYR 14 -0.839 4.227 2.362 75 HA TYR 14 HA TYR 14 -3.555 3.299 2.317 76 1HB TYR 14 HB2 TYR 14 -2.035 5.429 3.663 77 2HB TYR 14 HB1 TYR 14 -3.731 5.824 3.381 78 HD1 TYR 14 HD1 TYR 14 -2.115 2.511 4.024 79 HD2 TYR 14 HD2 TYR 14 -4.800 5.542 5.457 80 HE1 TYR 14 HE1 TYR 14 -2.775 1.037 5.905 81 HE2 TYR 14 HE2 TYR 14 -5.460 4.068 7.338 82 HH TYR 14 HH TYR 14 -5.483 1.680 7.878 83 HA PRO 15 HA PRO 15 -4.487 7.200 -0.281 84 1HB PRO 15 HB2 PRO 15 -2.345 8.641 -1.219 85 2HB PRO 15 HB1 PRO 15 -3.127 8.957 0.339 86 1HG PRO 15 HG2 PRO 15 -0.509 7.634 -0.214 87 2HG PRO 15 HG1 PRO 15 -1.030 8.534 1.220 88 1HD PRO 15 HD2 PRO 15 -0.895 5.726 0.990 89 2HD PRO 15 HD1 PRO 15 -1.733 6.624 2.273 90 H HIS 16 HN HIS 16 -1.312 5.954 -1.368 91 HA HIS 16 HA HIS 16 -1.780 6.026 -4.140 92 1HB HIS 16 HB2 HIS 16 0.403 5.453 -3.773 93 2HB HIS 16 HB1 HIS 16 0.026 4.557 -2.305 94 HD1 HIS 16 HD1 HIS 16 -0.030 4.162 -6.082 95 HD2 HIS 16 HD2 HIS 16 -0.197 1.804 -2.651 96 HE1 HIS 16 HE1 HIS 16 0.132 1.757 -6.861 97 H CYS 17 HN CYS 17 -2.724 3.549 -1.767 98 HA CYS 17 HA CYS 17 -3.763 1.721 -3.760 99 1HB CYS 17 HB2 CYS 17 -3.972 1.964 -0.779 100 2HB CYS 17 HB1 CYS 17 -5.084 0.894 -1.629 101 H LYS 18 HN LYS 18 -5.477 3.783 -1.376 102 HA LYS 18 HA LYS 18 -8.077 3.460 -2.287 103 1HB LYS 18 HB2 LYS 18 -7.484 4.875 -0.352 104 2HB LYS 18 HB1 LYS 18 -6.794 6.077 -1.443 105 1HG LYS 18 HG2 LYS 18 -9.142 6.020 -2.589 106 2HG LYS 18 HG1 LYS 18 -9.677 5.307 -1.067 107 1HD LYS 18 HD2 LYS 18 -9.314 7.239 0.127 108 2HD LYS 18 HD1 LYS 18 -7.964 7.737 -0.892 109 1HE LYS 18 HE2 LYS 18 -9.619 8.210 -2.730 110 2HE LYS 18 HE1 LYS 18 -10.912 7.898 -1.571 111 1HZ LYS 18 HZ1 LYS 18 -9.287 9.624 -0.255 112 2HZ LYS 18 HZ2 LYS 18 -10.721 10.043 -1.064 113 3HZ LYS 18 HZ3 LYS 18 -9.222 10.202 -1.848 114 H LYS 19 HN LYS 19 -5.444 5.106 -3.869 115 HA LYS 19 HA LYS 19 -7.109 6.556 -5.765 116 1HB LYS 19 HB2 LYS 19 -4.323 6.394 -5.102 117 2HB LYS 19 HB1 LYS 19 -4.505 6.122 -6.835 118 1HG LYS 19 HG2 LYS 19 -4.474 8.422 -6.858 119 2HG LYS 19 HG1 LYS 19 -6.198 8.190 -6.571 120 1HD LYS 19 HD2 LYS 19 -5.528 9.750 -4.916 121 2HD LYS 19 HD1 LYS 19 -5.599 8.207 -4.063 122 1HE LYS 19 HE2 LYS 19 -3.525 9.282 -3.448 123 2HE LYS 19 HE1 LYS 19 -3.131 7.937 -4.518 124 1HZ LYS 19 HZ1 LYS 19 -3.645 10.522 -5.767 125 2HZ LYS 19 HZ2 LYS 19 -2.527 9.313 -6.187 126 3HZ LYS 19 HZ3 LYS 19 -2.196 10.368 -4.897 127 H GLU 20 HN GLU 20 -5.088 3.607 -5.987 128 HA GLU 20 HA GLU 20 -6.052 3.040 -8.687 129 1HB GLU 20 HB2 GLU 20 -4.246 1.658 -6.724 130 2HB GLU 20 HB1 GLU 20 -4.850 0.776 -8.126 131 1HG GLU 20 HG2 GLU 20 -3.412 3.443 -8.265 132 2HG GLU 20 HG1 GLU 20 -2.650 1.879 -8.560 133 H THR 21 HN THR 21 -7.497 2.736 -5.711 134 HA THR 21 HA THR 21 -9.383 0.726 -6.793 135 HB THR 21 HB THR 21 -9.315 -0.378 -4.431 136 HG1 THR 21 HG1 THR 21 -6.627 0.339 -4.468 137 1HG2 THR 21 HG21 THR 21 -6.795 -1.020 -5.852 138 2HG2 THR 21 HG22 THR 21 -8.260 -1.067 -6.834 139 3HG2 THR 21 HG23 THR 21 -8.132 -2.076 -5.394 140 H GLY 22 HN GLY 22 -8.666 2.471 -3.746 141 1HA GLY 22 HA2 GLY 22 -10.246 4.467 -3.370 142 2HA GLY 22 HA1 GLY 22 -11.534 3.312 -3.710 143 H TYR 23 HN TYR 23 -9.202 1.571 -2.173 144 HA TYR 23 HA TYR 23 -10.560 1.951 0.453 145 1HB TYR 23 HB2 TYR 23 -9.207 -0.397 -0.862 146 2HB TYR 23 HB1 TYR 23 -9.418 -0.351 0.889 147 HD1 TYR 23 HD1 TYR 23 -11.446 -1.047 1.834 148 HD2 TYR 23 HD2 TYR 23 -11.330 0.103 -2.303 149 HE1 TYR 23 HE1 TYR 23 -13.805 -1.764 1.569 150 HE2 TYR 23 HE2 TYR 23 -13.688 -0.615 -2.568 151 HH TYR 23 HH TYR 23 -15.377 -1.765 -1.602 152 HA PRO 24 HA PRO 24 -6.615 3.630 1.705 153 1HB PRO 24 HB2 PRO 24 -7.419 4.286 4.249 154 2HB PRO 24 HB1 PRO 24 -7.792 5.267 2.821 155 1HG PRO 24 HG2 PRO 24 -9.588 3.474 4.385 156 2HG PRO 24 HG1 PRO 24 -9.993 4.895 3.409 157 1HD PRO 24 HD2 PRO 24 -10.323 2.192 2.624 158 2HD PRO 24 HD1 PRO 24 -10.411 3.610 1.555 159 H ASN 25 HN ASN 25 -8.072 0.772 2.650 160 HA ASN 25 HA ASN 25 -6.321 0.173 4.927 161 1HB ASN 25 HB2 ASN 25 -8.748 -0.832 4.032 162 2HB ASN 25 HB1 ASN 25 -7.606 -2.117 3.628 163 1HD2 ASN 25 HD21 ASN 25 -8.928 -0.213 6.328 164 2HD2 ASN 25 HD22 ASN 25 -8.367 -1.246 7.553 165 H ALA 26 HN ALA 26 -4.325 0.658 3.633 166 HA ALA 26 HA ALA 26 -3.508 -1.751 2.057 167 1HB ALA 26 HB1 ALA 26 -2.005 -0.217 0.773 168 2HB ALA 26 HB2 ALA 26 -2.727 1.148 1.623 169 3HB ALA 26 HB3 ALA 26 -3.713 0.157 0.549 170 H LYS 27 HN LYS 27 -1.324 -2.447 2.403 171 HA LYS 27 HA LYS 27 0.014 -1.166 4.754 172 1HB LYS 27 HB2 LYS 27 -0.739 -3.995 4.253 173 2HB LYS 27 HB1 LYS 27 0.863 -3.732 4.940 174 1HG LYS 27 HG2 LYS 27 -0.219 -3.636 6.932 175 2HG LYS 27 HG1 LYS 27 -0.680 -2.010 6.428 176 1HD LYS 27 HD2 LYS 27 -2.821 -2.713 6.622 177 2HD LYS 27 HD1 LYS 27 -2.536 -3.626 5.141 178 1HE LYS 27 HE2 LYS 27 -1.810 -5.569 6.453 179 2HE LYS 27 HE1 LYS 27 -2.031 -4.660 7.948 180 1HZ LYS 27 HZ1 LYS 27 -4.414 -4.324 6.937 181 2HZ LYS 27 HZ2 LYS 27 -4.022 -5.719 7.825 182 3HZ LYS 27 HZ3 LYS 27 -4.037 -5.767 6.127 183 H CYS 28 HN CYS 28 2.269 -0.985 4.616 184 HA CYS 28 HA CYS 28 3.408 -1.516 1.919 185 1HB CYS 28 HB2 CYS 28 3.670 0.771 2.768 186 2HB CYS 28 HB1 CYS 28 4.442 0.158 4.229 187 H MET 29 HN MET 29 4.155 -3.624 1.903 188 HA MET 29 HA MET 29 5.977 -4.401 4.149 189 1HB MET 29 HB2 MET 29 3.767 -5.845 2.813 190 2HB MET 29 HB1 MET 29 5.235 -6.790 3.064 191 1HG MET 29 HG2 MET 29 4.609 -5.203 5.413 192 2HG MET 29 HG1 MET 29 3.254 -6.243 4.973 193 1HE MET 29 HE1 MET 29 4.788 -6.255 7.540 194 2HE MET 29 HE2 MET 29 5.338 -7.885 7.913 195 3HE MET 29 HE3 MET 29 3.675 -7.622 7.396 196 H ASN 30 HN ASN 30 8.031 -4.257 3.372 197 HA ASN 30 HA ASN 30 9.879 -4.584 1.968 198 1HB ASN 30 HB2 ASN 30 8.439 -6.930 1.892 199 2HB ASN 30 HB1 ASN 30 8.547 -6.508 0.183 200 1HD2 ASN 30 HD21 ASN 30 10.279 -7.909 2.789 201 2HD2 ASN 30 HD22 ASN 30 11.814 -7.926 2.063 202 H ARG 31 HN ARG 31 8.287 -2.417 1.305 203 HA ARG 31 HA ARG 31 7.918 -0.925 -0.465 204 1HB ARG 31 HB2 ARG 31 9.661 -2.943 -1.907 205 2HB ARG 31 HB1 ARG 31 9.170 -1.393 -2.589 206 1HG ARG 31 HG2 ARG 31 10.185 -0.294 -0.537 207 2HG ARG 31 HG1 ARG 31 10.871 -1.868 -0.131 208 1HD ARG 31 HD2 ARG 31 11.824 -1.859 -2.534 209 2HD ARG 31 HD1 ARG 31 11.453 -0.136 -2.534 210 HE ARG 31 HE ARG 31 13.436 0.108 -1.302 211 1HH1 ARG 31 HH21 ARG 31 12.240 -0.846 1.224 212 2HH1 ARG 31 HH22 ARG 31 13.233 -2.205 1.634 213 1HH2 ARG 31 HH11 ARG 31 14.576 -2.521 -1.546 214 2HH2 ARG 31 HH12 ARG 31 14.556 -3.152 0.067 215 H LYS 32 HN LYS 32 6.259 -3.516 -0.046 216 HA LYS 32 HA LYS 32 5.030 -3.578 -2.772 217 1HB LYS 32 HB2 LYS 32 5.011 -5.599 -0.518 218 2HB LYS 32 HB1 LYS 32 3.941 -5.715 -1.913 219 1HG LYS 32 HG2 LYS 32 5.762 -5.953 -3.425 220 2HG LYS 32 HG1 LYS 32 6.934 -5.439 -2.211 221 1HD LYS 32 HD2 LYS 32 6.672 -7.464 -0.963 222 2HD LYS 32 HD1 LYS 32 5.246 -7.930 -1.892 223 1HE LYS 32 HE2 LYS 32 6.536 -8.358 -3.851 224 2HE LYS 32 HE1 LYS 32 7.952 -7.545 -3.184 225 1HZ LYS 32 HZ1 LYS 32 8.582 -9.570 -2.554 226 2HZ LYS 32 HZ2 LYS 32 7.040 -10.240 -2.805 227 3HZ LYS 32 HZ3 LYS 32 7.400 -9.454 -1.343 228 H CYS 33 HN CYS 33 3.575 -1.858 -2.623 229 HA CYS 33 HA CYS 33 1.939 -1.430 -0.253 230 1HB CYS 33 HB2 CYS 33 1.998 -0.268 -3.032 231 2HB CYS 33 HB1 CYS 33 0.655 0.087 -1.945 232 H LYS 34 HN LYS 34 0.616 -3.196 0.178 233 HA LYS 34 HA LYS 34 -0.941 -4.391 -2.036 234 1HB LYS 34 HB2 LYS 34 0.163 -5.443 0.278 235 2HB LYS 34 HB1 LYS 34 -1.551 -5.321 0.676 236 1HG LYS 34 HG2 LYS 34 -2.180 -6.830 -0.950 237 2HG LYS 34 HG1 LYS 34 -0.836 -6.407 -2.011 238 1HD LYS 34 HD2 LYS 34 0.662 -7.792 -0.895 239 2HD LYS 34 HD1 LYS 34 -0.248 -7.729 0.615 240 1HE LYS 34 HE2 LYS 34 -2.031 -8.867 -1.208 241 2HE LYS 34 HE1 LYS 34 -0.480 -9.612 -1.598 242 1HZ LYS 34 HZ1 LYS 34 -1.886 -9.583 1.008 243 2HZ LYS 34 HZ2 LYS 34 -0.243 -9.995 0.866 244 3HZ LYS 34 HZ3 LYS 34 -1.427 -10.927 0.082 245 H CYS 35 HN CYS 35 -3.050 -3.873 -2.412 246 HA CYS 35 HA CYS 35 -4.356 -2.003 -0.493 247 1HB CYS 35 HB2 CYS 35 -5.307 -2.628 -3.291 248 2HB CYS 35 HB1 CYS 35 -5.654 -1.204 -2.310 249 H PHE 36 HN PHE 36 -6.094 -2.697 0.662 250 HA PHE 36 HA PHE 36 -7.054 -5.455 0.215 251 1HB PHE 36 HB2 PHE 36 -7.102 -3.497 2.445 252 2HB PHE 36 HB1 PHE 36 -8.501 -4.566 2.332 253 HD1 PHE 36 HD1 PHE 36 -4.762 -4.577 2.359 254 HD2 PHE 36 HD2 PHE 36 -8.368 -6.795 3.077 255 HE1 PHE 36 HE1 PHE 36 -3.430 -6.429 3.330 256 HE2 PHE 36 HE2 PHE 36 -7.036 -8.649 4.048 257 HZ PHE 36 HZ PHE 36 -4.566 -8.465 4.174 258 H GLY 37 HN GLY 37 -7.750 -2.936 -1.464 259 1HA GLY 37 HA2 GLY 37 -10.660 -2.752 -1.052 260 2HA GLY 37 HA1 GLY 37 -9.728 -1.873 -2.265 261 H ARG 38 HN ARG 38 -9.940 -5.380 -1.613 262 HA ARG 38 HA ARG 38 -11.496 -5.867 -4.029 263 1HB ARG 38 HB2 ARG 38 -8.557 -5.931 -4.108 264 2HB ARG 38 HB1 ARG 38 -9.310 -7.420 -4.680 265 1HG ARG 38 HG2 ARG 38 -10.134 -6.424 -6.544 266 2HG ARG 38 HG1 ARG 38 -10.623 -4.978 -5.661 267 1HD ARG 38 HD2 ARG 38 -8.747 -4.703 -7.408 268 2HD ARG 38 HD1 ARG 38 -8.462 -4.017 -5.809 269 HE ARG 38 HE ARG 38 -6.660 -5.510 -5.618 270 1HH1 ARG 38 HH11 ARG 38 -8.742 -6.440 -8.173 271 2HH1 ARG 38 HH12 ARG 38 -8.005 -7.990 -8.402 272 1HH2 ARG 38 HH21 ARG 38 -5.830 -7.647 -5.724 273 2HH2 ARG 38 HH22 ARG 38 -6.356 -8.673 -7.016 Start of MODEL 16 1 1H THR 4 HT1 THR 4 5.644 -3.126 -6.666 2 2H THR 4 HT2 THR 4 7.109 -2.749 -7.438 3 3H THR 4 HT3 THR 4 5.890 -3.580 -8.281 4 HA THR 4 HA THR 4 5.894 -1.313 -8.996 5 HB THR 4 HB THR 4 3.592 -1.915 -7.120 6 HG1 THR 4 HG1 THR 4 3.184 -3.383 -8.538 7 1HG2 THR 4 HG21 THR 4 3.408 -0.280 -9.628 8 2HG2 THR 4 HG22 THR 4 3.977 0.479 -8.141 9 3HG2 THR 4 HG23 THR 4 2.373 -0.251 -8.201 10 H ILE 5 HN ILE 5 4.094 -0.332 -6.262 11 HA ILE 5 HA ILE 5 5.726 1.948 -5.790 12 HB ILE 5 HB ILE 5 3.795 0.696 -3.863 13 1HG1 ILE 5 HG12 ILE 5 2.892 1.047 -6.228 14 2HG1 ILE 5 HG11 ILE 5 2.023 1.891 -4.948 15 1HG2 ILE 5 HG21 ILE 5 3.476 3.303 -3.512 16 2HG2 ILE 5 HG22 ILE 5 5.121 3.348 -4.149 17 3HG2 ILE 5 HG23 ILE 5 4.765 2.424 -2.688 18 1HD1 ILE 5 HD11 ILE 5 2.910 3.973 -5.533 19 2HD1 ILE 5 HD12 ILE 5 2.709 3.207 -7.108 20 3HD1 ILE 5 HD13 ILE 5 4.301 3.260 -6.352 21 H SER 6 HN SER 6 6.674 2.389 -3.518 22 HA SER 6 HA SER 6 7.767 -0.003 -2.185 23 1HB SER 6 HB2 SER 6 9.679 2.099 -3.214 24 2HB SER 6 HB1 SER 6 10.063 0.516 -2.542 25 HG SER 6 HG SER 6 10.142 0.133 -4.657 26 H CYS 7 HN CYS 7 7.557 0.419 -0.045 27 HA CYS 7 HA CYS 7 8.287 3.096 0.980 28 1HB CYS 7 HB2 CYS 7 6.088 2.997 2.374 29 2HB CYS 7 HB1 CYS 7 5.995 3.543 0.701 30 H THR 8 HN THR 8 7.725 2.937 3.551 31 HA THR 8 HA THR 8 8.642 0.251 4.482 32 HB THR 8 HB THR 8 10.579 1.732 4.543 33 HG1 THR 8 HG1 THR 8 9.792 1.866 7.195 34 1HG2 THR 8 HG21 THR 8 10.447 3.932 5.028 35 2HG2 THR 8 HG22 THR 8 9.531 3.627 6.504 36 3HG2 THR 8 HG23 THR 8 8.697 3.732 4.954 37 H ASN 9 HN ASN 9 6.043 1.898 4.379 38 HA ASN 9 HA ASN 9 5.136 1.141 7.064 39 1HB ASN 9 HB2 ASN 9 5.560 3.978 6.240 40 2HB ASN 9 HB1 ASN 9 4.083 3.610 7.131 41 1HD2 ASN 9 HD21 ASN 9 4.279 2.988 9.365 42 2HD2 ASN 9 HD22 ASN 9 5.756 3.043 10.200 43 H GLU 10 HN GLU 10 2.888 0.800 7.079 44 HA GLU 10 HA GLU 10 1.605 0.284 4.599 45 1HB GLU 10 HB2 GLU 10 0.098 0.925 7.134 46 2HB GLU 10 HB1 GLU 10 -0.326 -0.226 5.867 47 1HG GLU 10 HG2 GLU 10 1.972 -1.343 6.538 48 2HG GLU 10 HG1 GLU 10 1.704 -0.485 8.057 49 H LYS 11 HN LYS 11 1.763 3.194 6.549 50 HA LYS 11 HA LYS 11 -0.452 4.607 5.485 51 1HB LYS 11 HB2 LYS 11 0.915 5.388 7.405 52 2HB LYS 11 HB1 LYS 11 2.244 5.732 6.297 53 1HG LYS 11 HG2 LYS 11 0.095 7.010 5.104 54 2HG LYS 11 HG1 LYS 11 -0.185 7.281 6.824 55 1HD LYS 11 HD2 LYS 11 2.547 7.700 6.552 56 2HD LYS 11 HD1 LYS 11 1.877 8.409 5.082 57 1HE LYS 11 HE2 LYS 11 1.105 10.176 6.240 58 2HE LYS 11 HE1 LYS 11 0.209 9.108 7.322 59 1HZ LYS 11 HZ1 LYS 11 2.895 10.240 7.627 60 2HZ LYS 11 HZ2 LYS 11 2.576 8.719 8.316 61 3HZ LYS 11 HZ3 LYS 11 1.658 10.072 8.774 62 H GLN 12 HN GLN 12 2.830 4.191 4.210 63 HA GLN 12 HA GLN 12 2.687 6.093 2.108 64 1HB GLN 12 HB2 GLN 12 4.205 3.508 2.441 65 2HB GLN 12 HB1 GLN 12 4.352 4.475 0.973 66 1HG GLN 12 HG2 GLN 12 4.583 5.996 3.499 67 2HG GLN 12 HG1 GLN 12 5.891 4.851 3.194 68 1HE2 GLN 12 HE21 GLN 12 5.818 7.911 3.005 69 2HE2 GLN 12 HE22 GLN 12 6.391 8.248 1.443 70 H CYS 13 HN CYS 13 1.219 2.937 2.417 71 HA CYS 13 HA CYS 13 0.528 2.902 -0.468 72 1HB CYS 13 HB2 CYS 13 -0.213 0.865 1.647 73 2HB CYS 13 HB1 CYS 13 -0.229 0.648 -0.103 74 H TYR 14 HN TYR 14 -0.810 3.927 2.506 75 HA TYR 14 HA TYR 14 -3.547 3.383 2.233 76 1HB TYR 14 HB2 TYR 14 -1.931 5.403 3.617 77 2HB TYR 14 HB1 TYR 14 -3.564 5.943 3.226 78 HD1 TYR 14 HD1 TYR 14 -1.737 3.003 4.669 79 HD2 TYR 14 HD2 TYR 14 -5.346 5.323 4.602 80 HE1 TYR 14 HE1 TYR 14 -2.641 1.643 6.534 81 HE2 TYR 14 HE2 TYR 14 -6.255 3.965 6.468 82 HH TYR 14 HH TYR 14 -5.475 2.551 8.259 83 HA PRO 15 HA PRO 15 -4.040 7.298 -0.470 84 1HB PRO 15 HB2 PRO 15 -1.751 8.384 -1.538 85 2HB PRO 15 HB1 PRO 15 -2.446 8.886 0.014 86 1HG PRO 15 HG2 PRO 15 -0.041 7.197 -0.511 87 2HG PRO 15 HG1 PRO 15 -0.401 8.236 0.877 88 1HD PRO 15 HD2 PRO 15 -0.642 5.429 0.814 89 2HD PRO 15 HD1 PRO 15 -1.332 6.499 2.054 90 H HIS 16 HN HIS 16 -1.009 5.882 -1.749 91 HA HIS 16 HA HIS 16 -1.701 5.779 -4.443 92 1HB HIS 16 HB2 HIS 16 0.486 5.131 -4.106 93 2HB HIS 16 HB1 HIS 16 0.099 4.195 -2.667 94 HD1 HIS 16 HD1 HIS 16 -0.053 3.977 -6.449 95 HD2 HIS 16 HD2 HIS 16 -0.358 1.484 -3.124 96 HE1 HIS 16 HE1 HIS 16 -0.071 1.604 -7.335 97 H CYS 17 HN CYS 17 -2.871 3.751 -1.832 98 HA CYS 17 HA CYS 17 -4.046 1.768 -3.639 99 1HB CYS 17 HB2 CYS 17 -3.942 2.198 -0.698 100 2HB CYS 17 HB1 CYS 17 -5.332 1.308 -1.316 101 H LYS 18 HN LYS 18 -5.282 4.464 -1.651 102 HA LYS 18 HA LYS 18 -8.023 4.176 -2.088 103 1HB LYS 18 HB2 LYS 18 -6.515 6.081 -0.910 104 2HB LYS 18 HB1 LYS 18 -6.946 6.933 -2.393 105 1HG LYS 18 HG2 LYS 18 -9.328 5.715 -1.579 106 2HG LYS 18 HG1 LYS 18 -8.606 6.309 -0.083 107 1HD LYS 18 HD2 LYS 18 -9.021 7.964 -2.591 108 2HD LYS 18 HD1 LYS 18 -10.044 8.026 -1.155 109 1HE LYS 18 HE2 LYS 18 -7.448 8.324 -0.164 110 2HE LYS 18 HE1 LYS 18 -7.468 9.295 -1.635 111 1HZ LYS 18 HZ1 LYS 18 -8.237 10.397 0.504 112 2HZ LYS 18 HZ2 LYS 18 -9.645 9.458 0.356 113 3HZ LYS 18 HZ3 LYS 18 -9.234 10.574 -0.857 114 H LYS 19 HN LYS 19 -5.584 5.496 -4.293 115 HA LYS 19 HA LYS 19 -7.588 6.226 -6.298 116 1HB LYS 19 HB2 LYS 19 -4.802 6.731 -5.862 117 2HB LYS 19 HB1 LYS 19 -5.000 6.039 -7.472 118 1HG LYS 19 HG2 LYS 19 -6.697 7.715 -8.021 119 2HG LYS 19 HG1 LYS 19 -6.596 8.380 -6.390 120 1HD LYS 19 HD2 LYS 19 -4.023 8.166 -7.850 121 2HD LYS 19 HD1 LYS 19 -5.166 9.353 -8.482 122 1HE LYS 19 HE2 LYS 19 -5.256 9.656 -5.688 123 2HE LYS 19 HE1 LYS 19 -3.546 9.481 -6.081 124 1HZ LYS 19 HZ1 LYS 19 -5.300 11.665 -6.595 125 2HZ LYS 19 HZ2 LYS 19 -4.556 11.127 -8.025 126 3HZ LYS 19 HZ3 LYS 19 -3.608 11.597 -6.696 127 H GLU 20 HN GLU 20 -5.032 3.721 -6.095 128 HA GLU 20 HA GLU 20 -5.664 2.428 -8.541 129 1HB GLU 20 HB2 GLU 20 -3.689 2.066 -6.836 130 2HB GLU 20 HB1 GLU 20 -4.760 0.834 -6.166 131 1HG GLU 20 HG2 GLU 20 -5.013 0.044 -8.637 132 2HG GLU 20 HG1 GLU 20 -3.541 0.975 -8.915 133 H THR 21 HN THR 21 -7.487 2.592 -5.658 134 HA THR 21 HA THR 21 -9.398 0.626 -6.774 135 HB THR 21 HB THR 21 -9.566 -0.139 -4.201 136 HG1 THR 21 HG1 THR 21 -7.878 0.469 -3.146 137 1HG2 THR 21 HG21 THR 21 -7.541 -1.191 -6.195 138 2HG2 THR 21 HG22 THR 21 -9.252 -1.620 -6.145 139 3HG2 THR 21 HG23 THR 21 -8.186 -2.085 -4.819 140 H GLY 22 HN GLY 22 -9.017 2.252 -3.617 141 1HA GLY 22 HA2 GLY 22 -10.552 4.480 -3.802 142 2HA GLY 22 HA1 GLY 22 -11.789 3.222 -3.804 143 H TYR 23 HN TYR 23 -9.818 1.590 -2.063 144 HA TYR 23 HA TYR 23 -10.785 2.734 0.494 145 1HB TYR 23 HB2 TYR 23 -9.314 0.118 0.151 146 2HB TYR 23 HB1 TYR 23 -10.422 0.588 1.441 147 HD1 TYR 23 HD1 TYR 23 -10.189 -0.310 -2.154 148 HD2 TYR 23 HD2 TYR 23 -12.796 0.363 1.194 149 HE1 TYR 23 HE1 TYR 23 -12.082 -1.266 -3.438 150 HE2 TYR 23 HE2 TYR 23 -14.691 -0.593 -0.090 151 HH TYR 23 HH TYR 23 -14.639 -1.036 -3.386 152 HA PRO 24 HA PRO 24 -6.704 4.239 1.337 153 1HB PRO 24 HB2 PRO 24 -7.172 4.944 3.952 154 2HB PRO 24 HB1 PRO 24 -7.735 5.899 2.569 155 1HG PRO 24 HG2 PRO 24 -9.301 4.140 4.394 156 2HG PRO 24 HG1 PRO 24 -9.842 5.532 3.441 157 1HD PRO 24 HD2 PRO 24 -10.235 2.800 2.781 158 2HD PRO 24 HD1 PRO 24 -10.505 4.189 1.706 159 H ASN 25 HN ASN 25 -8.312 1.885 3.444 160 HA ASN 25 HA ASN 25 -6.148 1.143 5.096 161 1HB ASN 25 HB2 ASN 25 -8.733 0.142 4.510 162 2HB ASN 25 HB1 ASN 25 -7.615 -1.206 4.290 163 1HD2 ASN 25 HD21 ASN 25 -9.494 -1.049 6.502 164 2HD2 ASN 25 HD22 ASN 25 -8.590 -0.925 7.934 165 H ALA 26 HN ALA 26 -4.139 0.594 4.401 166 HA ALA 26 HA ALA 26 -3.885 -1.512 2.342 167 1HB ALA 26 HB1 ALA 26 -1.990 0.014 1.321 168 2HB ALA 26 HB2 ALA 26 -2.943 1.321 2.023 169 3HB ALA 26 HB3 ALA 26 -3.667 0.245 0.828 170 H LYS 27 HN LYS 27 -1.538 -2.236 2.201 171 HA LYS 27 HA LYS 27 -0.100 -1.725 4.772 172 1HB LYS 27 HB2 LYS 27 0.567 -4.147 4.724 173 2HB LYS 27 HB1 LYS 27 -1.163 -3.901 4.966 174 1HG LYS 27 HG2 LYS 27 -0.832 -3.967 2.182 175 2HG LYS 27 HG1 LYS 27 0.206 -5.256 2.792 176 1HD LYS 27 HD2 LYS 27 -2.726 -4.875 3.465 177 2HD LYS 27 HD1 LYS 27 -2.065 -6.106 2.388 178 1HE LYS 27 HE2 LYS 27 -0.549 -6.557 4.585 179 2HE LYS 27 HE1 LYS 27 -2.023 -5.969 5.352 180 1HZ LYS 27 HZ1 LYS 27 -2.544 -7.813 3.228 181 2HZ LYS 27 HZ2 LYS 27 -3.100 -7.827 4.833 182 3HZ LYS 27 HZ3 LYS 27 -1.588 -8.500 4.449 183 H CYS 28 HN CYS 28 2.195 -1.792 4.612 184 HA CYS 28 HA CYS 28 3.207 -1.688 1.801 185 1HB CYS 28 HB2 CYS 28 3.418 0.423 3.104 186 2HB CYS 28 HB1 CYS 28 4.390 -0.435 4.298 187 H MET 29 HN MET 29 4.380 -3.449 1.243 188 HA MET 29 HA MET 29 5.662 -5.056 3.398 189 1HB MET 29 HB2 MET 29 4.853 -5.642 0.547 190 2HB MET 29 HB1 MET 29 5.957 -6.703 1.420 191 1HG MET 29 HG2 MET 29 4.210 -6.780 3.277 192 2HG MET 29 HG1 MET 29 3.104 -6.011 2.139 193 1HE MET 29 HE1 MET 29 6.007 -8.595 1.373 194 2HE MET 29 HE2 MET 29 5.147 -10.100 1.690 195 3HE MET 29 HE3 MET 29 5.366 -8.928 2.988 196 H ASN 30 HN ASN 30 7.681 -6.288 1.903 197 HA ASN 30 HA ASN 30 9.849 -4.532 2.110 198 1HB ASN 30 HB2 ASN 30 9.518 -7.174 1.365 199 2HB ASN 30 HB1 ASN 30 10.131 -6.432 -0.112 200 1HD2 ASN 30 HD21 ASN 30 10.833 -6.463 3.431 201 2HD2 ASN 30 HD22 ASN 30 12.517 -6.366 3.243 202 H ARG 31 HN ARG 31 9.246 -2.486 1.187 203 HA ARG 31 HA ARG 31 9.065 -0.898 -0.528 204 1HB ARG 31 HB2 ARG 31 10.873 -3.015 -1.655 205 2HB ARG 31 HB1 ARG 31 10.348 -1.685 -2.689 206 1HG ARG 31 HG2 ARG 31 11.210 -0.054 -1.074 207 2HG ARG 31 HG1 ARG 31 11.691 -1.359 0.011 208 1HD ARG 31 HD2 ARG 31 12.797 -1.960 -2.535 209 2HD ARG 31 HD1 ARG 31 13.141 -0.259 -2.215 210 HE ARG 31 HE ARG 31 14.126 -2.553 -0.628 211 1HH1 ARG 31 HH21 ARG 31 13.079 0.438 0.280 212 2HH1 ARG 31 HH22 ARG 31 14.616 1.045 0.799 213 1HH2 ARG 31 HH11 ARG 31 16.412 -1.600 -0.539 214 2HH2 ARG 31 HH12 ARG 31 16.502 -0.109 0.337 215 H LYS 32 HN LYS 32 6.783 -2.409 -0.258 216 HA LYS 32 HA LYS 32 5.802 -2.454 -3.051 217 1HB LYS 32 HB2 LYS 32 5.477 -4.792 -1.140 218 2HB LYS 32 HB1 LYS 32 4.694 -4.648 -2.715 219 1HG LYS 32 HG2 LYS 32 7.201 -4.236 -3.521 220 2HG LYS 32 HG1 LYS 32 7.564 -5.163 -2.066 221 1HD LYS 32 HD2 LYS 32 5.617 -6.722 -3.058 222 2HD LYS 32 HD1 LYS 32 6.203 -6.028 -4.570 223 1HE LYS 32 HE2 LYS 32 8.527 -6.688 -3.917 224 2HE LYS 32 HE1 LYS 32 7.859 -7.497 -2.500 225 1HZ LYS 32 HZ1 LYS 32 7.707 -8.248 -5.314 226 2HZ LYS 32 HZ2 LYS 32 6.341 -8.571 -4.357 227 3HZ LYS 32 HZ3 LYS 32 7.851 -9.226 -3.937 228 H CYS 33 HN CYS 33 3.338 -2.605 -3.042 229 HA CYS 33 HA CYS 33 2.178 -1.634 -0.472 230 1HB CYS 33 HB2 CYS 33 2.203 -0.251 -3.128 231 2HB CYS 33 HB1 CYS 33 0.770 -0.093 -2.113 232 H LYS 34 HN LYS 34 0.119 -2.411 -0.081 233 HA LYS 34 HA LYS 34 -1.248 -3.856 -2.306 234 1HB LYS 34 HB2 LYS 34 -0.064 -5.496 -0.854 235 2HB LYS 34 HB1 LYS 34 -0.958 -4.877 0.536 236 1HG LYS 34 HG2 LYS 34 -2.644 -6.279 0.037 237 2HG LYS 34 HG1 LYS 34 -2.872 -5.418 -1.486 238 1HD LYS 34 HD2 LYS 34 -0.711 -7.499 -1.218 239 2HD LYS 34 HD1 LYS 34 -2.372 -7.972 -1.576 240 1HE LYS 34 HE2 LYS 34 -2.019 -5.917 -3.345 241 2HE LYS 34 HE1 LYS 34 -0.395 -6.602 -3.290 242 1HZ LYS 34 HZ1 LYS 34 -2.828 -7.714 -4.368 243 2HZ LYS 34 HZ2 LYS 34 -1.935 -8.800 -3.416 244 3HZ LYS 34 HZ3 LYS 34 -1.213 -8.052 -4.760 245 H CYS 35 HN CYS 35 -3.532 -3.771 -2.193 246 HA CYS 35 HA CYS 35 -4.579 -1.809 -0.199 247 1HB CYS 35 HB2 CYS 35 -5.936 -2.658 -2.766 248 2HB CYS 35 HB1 CYS 35 -6.256 -1.224 -1.790 249 H PHE 36 HN PHE 36 -6.573 -2.298 0.876 250 HA PHE 36 HA PHE 36 -6.947 -5.147 1.390 251 1HB PHE 36 HB2 PHE 36 -7.910 -2.593 2.548 252 2HB PHE 36 HB1 PHE 36 -9.016 -3.959 2.692 253 HD1 PHE 36 HD1 PHE 36 -6.031 -2.413 3.969 254 HD2 PHE 36 HD2 PHE 36 -8.088 -6.169 3.624 255 HE1 PHE 36 HE1 PHE 36 -4.657 -3.337 5.815 256 HE2 PHE 36 HE2 PHE 36 -6.714 -7.091 5.470 257 HZ PHE 36 HZ PHE 36 -4.997 -5.676 6.565 258 H GLY 37 HN GLY 37 -9.107 -2.553 0.168 259 1HA GLY 37 HA2 GLY 37 -11.086 -2.737 -1.093 260 2HA GLY 37 HA1 GLY 37 -10.169 -3.934 -2.009 261 H ARG 38 HN ARG 38 -10.751 -4.484 1.373 262 HA ARG 38 HA ARG 38 -11.798 -6.347 2.379 263 1HB ARG 38 HB2 ARG 38 -14.191 -6.271 2.181 264 2HB ARG 38 HB1 ARG 38 -13.619 -4.608 2.054 265 1HG ARG 38 HG2 ARG 38 -13.884 -4.597 -0.322 266 2HG ARG 38 HG1 ARG 38 -14.117 -6.345 -0.373 267 1HD ARG 38 HD2 ARG 38 -16.177 -5.974 1.094 268 2HD ARG 38 HD1 ARG 38 -16.001 -4.256 0.736 269 HE ARG 38 HE ARG 38 -15.964 -5.476 -1.758 270 1HH1 ARG 38 HH11 ARG 38 -18.079 -5.007 0.910 271 2HH1 ARG 38 HH12 ARG 38 -19.505 -5.453 0.034 272 1HH2 ARG 38 HH21 ARG 38 -17.795 -6.254 -2.871 273 2HH2 ARG 38 HH22 ARG 38 -19.346 -6.155 -2.106 Start of MODEL 17 1 1H THR 4 HT1 THR 4 4.798 -4.452 -3.704 2 2H THR 4 HT2 THR 4 5.872 -5.348 -4.668 3 3H THR 4 HT3 THR 4 4.281 -5.894 -4.434 4 HA THR 4 HA THR 4 4.652 -4.863 -6.634 5 HB THR 4 HB THR 4 2.707 -3.527 -4.735 6 HG1 THR 4 HG1 THR 4 2.753 -5.866 -6.261 7 1HG2 THR 4 HG21 THR 4 3.387 -2.737 -7.323 8 2HG2 THR 4 HG22 THR 4 1.910 -2.312 -6.458 9 3HG2 THR 4 HG23 THR 4 1.930 -3.708 -7.536 10 H ILE 5 HN ILE 5 3.655 -1.930 -5.161 11 HA ILE 5 HA ILE 5 5.610 -0.376 -6.527 12 HB ILE 5 HB ILE 5 3.308 0.272 -5.408 13 1HG1 ILE 5 HG12 ILE 5 4.951 2.593 -5.028 14 2HG1 ILE 5 HG11 ILE 5 5.523 1.697 -6.436 15 1HG2 ILE 5 HG21 ILE 5 3.319 1.048 -3.252 16 2HG2 ILE 5 HG22 ILE 5 5.023 1.494 -3.308 17 3HG2 ILE 5 HG23 ILE 5 4.558 -0.195 -3.098 18 1HD1 ILE 5 HD11 ILE 5 2.581 2.203 -6.050 19 2HD1 ILE 5 HD12 ILE 5 3.459 1.867 -7.542 20 3HD1 ILE 5 HD13 ILE 5 3.612 3.442 -6.765 21 H SER 6 HN SER 6 6.472 1.378 -4.441 22 HA SER 6 HA SER 6 8.324 -0.367 -2.876 23 1HB SER 6 HB2 SER 6 9.056 1.287 -5.053 24 2HB SER 6 HB1 SER 6 9.602 2.118 -3.599 25 HG SER 6 HG SER 6 10.353 -0.349 -4.665 26 H CYS 7 HN CYS 7 7.464 0.021 -0.853 27 HA CYS 7 HA CYS 7 7.603 2.823 0.117 28 1HB CYS 7 HB2 CYS 7 5.382 2.627 1.179 29 2HB CYS 7 HB1 CYS 7 5.258 2.466 -0.573 30 H THR 8 HN THR 8 6.766 2.559 2.645 31 HA THR 8 HA THR 8 8.085 0.151 3.796 32 HB THR 8 HB THR 8 9.836 1.811 3.860 33 HG1 THR 8 HG1 THR 8 9.599 2.351 6.282 34 1HG2 THR 8 HG21 THR 8 8.110 3.748 5.358 35 2HG2 THR 8 HG22 THR 8 7.990 3.684 3.599 36 3HG2 THR 8 HG23 THR 8 9.536 4.055 4.364 37 H ASN 9 HN ASN 9 6.317 3.162 4.560 38 HA ASN 9 HA ASN 9 5.001 1.810 6.836 39 1HB ASN 9 HB2 ASN 9 4.506 4.620 5.822 40 2HB ASN 9 HB1 ASN 9 4.164 3.975 7.428 41 1HD2 ASN 9 HD21 ASN 9 6.230 6.063 6.061 42 2HD2 ASN 9 HD22 ASN 9 7.645 5.746 6.947 43 H GLU 10 HN GLU 10 2.688 1.559 6.924 44 HA GLU 10 HA GLU 10 1.479 0.767 4.447 45 1HB GLU 10 HB2 GLU 10 -0.507 0.339 5.731 46 2HB GLU 10 HB1 GLU 10 0.863 -0.086 6.754 47 1HG GLU 10 HG2 GLU 10 -0.329 2.681 6.871 48 2HG GLU 10 HG1 GLU 10 -1.048 1.355 7.780 49 H LYS 11 HN LYS 11 1.722 3.820 6.043 50 HA LYS 11 HA LYS 11 -0.618 5.061 4.895 51 1HB LYS 11 HB2 LYS 11 0.368 6.130 6.793 52 2HB LYS 11 HB1 LYS 11 1.959 6.162 6.034 53 1HG LYS 11 HG2 LYS 11 1.491 8.045 4.860 54 2HG LYS 11 HG1 LYS 11 -0.134 7.493 4.451 55 1HD LYS 11 HD2 LYS 11 -0.700 9.213 5.873 56 2HD LYS 11 HD1 LYS 11 -0.516 7.927 7.067 57 1HE LYS 11 HE2 LYS 11 2.035 9.192 6.436 58 2HE LYS 11 HE1 LYS 11 0.858 10.355 7.047 59 1HZ LYS 11 HZ1 LYS 11 0.879 9.433 9.069 60 2HZ LYS 11 HZ2 LYS 11 2.352 8.736 8.585 61 3HZ LYS 11 HZ3 LYS 11 0.909 7.845 8.471 62 H GLN 12 HN GLN 12 2.502 4.246 3.642 63 HA GLN 12 HA GLN 12 2.679 6.234 1.579 64 1HB GLN 12 HB2 GLN 12 3.893 3.518 2.013 65 2HB GLN 12 HB1 GLN 12 4.100 4.331 0.462 66 1HG GLN 12 HG2 GLN 12 4.856 5.448 3.178 67 2HG GLN 12 HG1 GLN 12 5.974 4.885 1.935 68 1HE2 GLN 12 HE21 GLN 12 4.452 7.664 3.128 69 2HE2 GLN 12 HE22 GLN 12 4.654 8.661 1.770 70 H CYS 13 HN CYS 13 1.010 3.125 1.784 71 HA CYS 13 HA CYS 13 0.160 3.425 -1.056 72 1HB CYS 13 HB2 CYS 13 0.718 1.172 0.666 73 2HB CYS 13 HB1 CYS 13 -0.925 1.058 0.033 74 H TYR 14 HN TYR 14 -0.879 4.589 1.777 75 HA TYR 14 HA TYR 14 -3.635 3.766 1.876 76 1HB TYR 14 HB2 TYR 14 -1.949 5.802 3.166 77 2HB TYR 14 HB1 TYR 14 -3.632 6.290 2.967 78 HD1 TYR 14 HD1 TYR 14 -4.539 6.084 5.138 79 HD2 TYR 14 HD2 TYR 14 -2.245 2.860 3.467 80 HE1 TYR 14 HE1 TYR 14 -5.189 4.636 7.042 81 HE2 TYR 14 HE2 TYR 14 -2.894 1.411 5.372 82 HH TYR 14 HH TYR 14 -4.377 2.641 8.195 83 HA PRO 15 HA PRO 15 -4.522 7.725 -0.647 84 1HB PRO 15 HB2 PRO 15 -2.369 9.137 -1.604 85 2HB PRO 15 HB1 PRO 15 -3.111 9.437 -0.022 86 1HG PRO 15 HG2 PRO 15 -0.534 8.074 -0.659 87 2HG PRO 15 HG1 PRO 15 -1.008 8.949 0.807 88 1HD PRO 15 HD2 PRO 15 -0.938 6.139 0.506 89 2HD PRO 15 HD1 PRO 15 -1.722 7.031 1.827 90 H HIS 16 HN HIS 16 -1.568 6.045 -1.702 91 HA HIS 16 HA HIS 16 -1.945 6.351 -4.506 92 1HB HIS 16 HB2 HIS 16 0.121 5.446 -4.295 93 2HB HIS 16 HB1 HIS 16 -0.255 4.787 -2.708 94 HD1 HIS 16 HD1 HIS 16 0.174 3.835 -6.240 95 HD2 HIS 16 HD2 HIS 16 -1.538 2.151 -2.834 96 HE1 HIS 16 HE1 HIS 16 -0.141 1.371 -6.742 97 H CYS 17 HN CYS 17 -2.910 3.648 -2.361 98 HA CYS 17 HA CYS 17 -4.362 2.302 -4.481 99 1HB CYS 17 HB2 CYS 17 -3.866 1.881 -1.605 100 2HB CYS 17 HB1 CYS 17 -5.432 1.296 -2.168 101 H LYS 18 HN LYS 18 -5.245 4.597 -1.934 102 HA LYS 18 HA LYS 18 -8.068 4.333 -2.126 103 1HB LYS 18 HB2 LYS 18 -6.755 5.706 -0.429 104 2HB LYS 18 HB1 LYS 18 -6.603 6.944 -1.675 105 1HG LYS 18 HG2 LYS 18 -9.345 6.009 -1.465 106 2HG LYS 18 HG1 LYS 18 -8.758 6.609 0.088 107 1HD LYS 18 HD2 LYS 18 -8.488 8.127 -2.522 108 2HD LYS 18 HD1 LYS 18 -9.785 8.393 -1.356 109 1HE LYS 18 HE2 LYS 18 -7.797 8.642 0.353 110 2HE LYS 18 HE1 LYS 18 -6.855 8.988 -1.097 111 1HZ LYS 18 HZ1 LYS 18 -7.605 11.061 -0.744 112 2HZ LYS 18 HZ2 LYS 18 -8.936 10.553 0.182 113 3HZ LYS 18 HZ3 LYS 18 -9.008 10.499 -1.515 114 H LYS 19 HN LYS 19 -5.766 6.186 -4.085 115 HA LYS 19 HA LYS 19 -7.890 7.419 -5.675 116 1HB LYS 19 HB2 LYS 19 -5.574 8.416 -5.226 117 2HB LYS 19 HB1 LYS 19 -4.962 7.253 -6.405 118 1HG LYS 19 HG2 LYS 19 -5.555 8.673 -8.045 119 2HG LYS 19 HG1 LYS 19 -7.241 8.441 -7.583 120 1HD LYS 19 HD2 LYS 19 -6.999 10.242 -5.886 121 2HD LYS 19 HD1 LYS 19 -5.342 10.504 -6.429 122 1HE LYS 19 HE2 LYS 19 -7.470 10.530 -8.515 123 2HE LYS 19 HE1 LYS 19 -7.400 11.911 -7.421 124 1HZ LYS 19 HZ1 LYS 19 -5.213 12.385 -8.053 125 2HZ LYS 19 HZ2 LYS 19 -6.013 12.042 -9.511 126 3HZ LYS 19 HZ3 LYS 19 -4.997 10.879 -8.803 127 H GLU 20 HN GLU 20 -5.927 4.524 -5.846 128 HA GLU 20 HA GLU 20 -6.398 4.050 -8.672 129 1HB GLU 20 HB2 GLU 20 -4.470 3.049 -7.535 130 2HB GLU 20 HB1 GLU 20 -5.549 2.152 -6.464 131 1HG GLU 20 HG2 GLU 20 -6.404 0.840 -8.272 132 2HG GLU 20 HG1 GLU 20 -5.657 1.890 -9.476 133 H THR 21 HN THR 21 -7.582 2.219 -5.820 134 HA THR 21 HA THR 21 -10.020 1.595 -7.433 135 HB THR 21 HB THR 21 -8.616 -0.359 -6.763 136 HG1 THR 21 HG1 THR 21 -11.105 -0.168 -6.742 137 1HG2 THR 21 HG21 THR 21 -7.760 -0.473 -4.690 138 2HG2 THR 21 HG22 THR 21 -9.385 -0.488 -4.008 139 3HG2 THR 21 HG23 THR 21 -8.560 1.045 -4.287 140 H GLY 22 HN GLY 22 -8.855 2.878 -4.375 141 1HA GLY 22 HA2 GLY 22 -10.341 4.572 -3.304 142 2HA GLY 22 HA1 GLY 22 -11.697 3.513 -3.688 143 H TYR 23 HN TYR 23 -8.750 2.046 -2.603 144 HA TYR 23 HA TYR 23 -9.972 1.663 0.099 145 1HB TYR 23 HB2 TYR 23 -8.942 -0.318 -1.866 146 2HB TYR 23 HB1 TYR 23 -8.543 -0.603 -0.173 147 HD1 TYR 23 HD1 TYR 23 -10.214 -1.258 1.416 148 HD2 TYR 23 HD2 TYR 23 -11.339 -0.110 -2.567 149 HE1 TYR 23 HE1 TYR 23 -12.508 -2.109 1.818 150 HE2 TYR 23 HE2 TYR 23 -13.634 -0.962 -2.165 151 HH TYR 23 HH TYR 23 -15.117 -1.418 -0.263 152 HA PRO 24 HA PRO 24 -5.882 3.363 0.952 153 1HB PRO 24 HB2 PRO 24 -6.529 4.179 3.497 154 2HB PRO 24 HB1 PRO 24 -6.891 5.124 2.043 155 1HG PRO 24 HG2 PRO 24 -8.741 3.521 3.749 156 2HG PRO 24 HG1 PRO 24 -9.088 4.935 2.739 157 1HD PRO 24 HD2 PRO 24 -9.652 2.251 2.063 158 2HD PRO 24 HD1 PRO 24 -9.656 3.628 0.941 159 H ASN 25 HN ASN 25 -7.794 1.346 3.198 160 HA ASN 25 HA ASN 25 -5.825 0.467 4.951 161 1HB ASN 25 HB2 ASN 25 -8.343 -0.246 4.692 162 2HB ASN 25 HB1 ASN 25 -7.674 -1.564 3.730 163 1HD2 ASN 25 HD21 ASN 25 -5.618 -2.618 4.921 164 2HD2 ASN 25 HD22 ASN 25 -5.843 -2.934 6.574 165 H ALA 26 HN ALA 26 -3.760 0.057 4.222 166 HA ALA 26 HA ALA 26 -3.429 -2.269 2.413 167 1HB ALA 26 HB1 ALA 26 -2.285 -1.164 0.754 168 2HB ALA 26 HB2 ALA 26 -1.649 0.053 1.861 169 3HB ALA 26 HB3 ALA 26 -3.309 0.172 1.280 170 H LYS 27 HN LYS 27 -0.830 -2.564 2.225 171 HA LYS 27 HA LYS 27 0.333 -2.056 4.928 172 1HB LYS 27 HB2 LYS 27 -0.556 -4.549 4.022 173 2HB LYS 27 HB1 LYS 27 1.191 -4.593 3.784 174 1HG LYS 27 HG2 LYS 27 0.861 -5.350 6.012 175 2HG LYS 27 HG1 LYS 27 1.374 -3.670 6.175 176 1HD LYS 27 HD2 LYS 27 -1.085 -3.038 6.226 177 2HD LYS 27 HD1 LYS 27 -1.443 -4.760 6.361 178 1HE LYS 27 HE2 LYS 27 -0.936 -4.762 8.555 179 2HE LYS 27 HE1 LYS 27 0.623 -3.998 8.245 180 1HZ LYS 27 HZ1 LYS 27 -1.206 -2.776 9.618 181 2HZ LYS 27 HZ2 LYS 27 -1.809 -2.367 8.083 182 3HZ LYS 27 HZ3 LYS 27 -0.232 -1.916 8.528 183 H CYS 28 HN CYS 28 2.726 -2.249 4.928 184 HA CYS 28 HA CYS 28 3.989 -2.032 2.244 185 1HB CYS 28 HB2 CYS 28 3.873 0.084 4.359 186 2HB CYS 28 HB1 CYS 28 5.368 -0.090 3.442 187 H MET 29 HN MET 29 4.814 -4.169 2.864 188 HA MET 29 HA MET 29 6.866 -4.054 5.037 189 1HB MET 29 HB2 MET 29 4.960 -5.739 5.213 190 2HB MET 29 HB1 MET 29 5.673 -6.553 3.819 191 1HG MET 29 HG2 MET 29 7.493 -7.294 5.008 192 2HG MET 29 HG1 MET 29 7.511 -5.880 6.062 193 1HE MET 29 HE1 MET 29 5.398 -6.368 8.855 194 2HE MET 29 HE2 MET 29 4.374 -5.904 7.498 195 3HE MET 29 HE3 MET 29 6.017 -5.276 7.608 196 H ASN 30 HN ASN 30 8.971 -4.369 4.495 197 HA ASN 30 HA ASN 30 10.815 -4.376 3.015 198 1HB ASN 30 HB2 ASN 30 9.358 -6.967 2.430 199 2HB ASN 30 HB1 ASN 30 10.990 -6.615 1.857 200 1HD2 ASN 30 HD21 ASN 30 12.722 -6.541 3.445 201 2HD2 ASN 30 HD22 ASN 30 12.500 -7.092 5.035 202 H ARG 31 HN ARG 31 9.159 -2.614 1.885 203 HA ARG 31 HA ARG 31 8.506 -1.664 -0.157 204 1HB ARG 31 HB2 ARG 31 10.380 -3.693 -1.394 205 2HB ARG 31 HB1 ARG 31 9.937 -2.109 -2.029 206 1HG ARG 31 HG2 ARG 31 11.669 -2.738 0.368 207 2HG ARG 31 HG1 ARG 31 12.088 -1.795 -1.064 208 1HD ARG 31 HD2 ARG 31 9.977 -0.355 -0.206 209 2HD ARG 31 HD1 ARG 31 10.530 -0.995 1.342 210 HE ARG 31 HE ARG 31 12.585 0.225 1.075 211 1HH1 ARG 31 HH21 ARG 31 10.045 1.433 -0.724 212 2HH1 ARG 31 HH22 ARG 31 11.017 2.369 -1.809 213 1HH2 ARG 31 HH11 ARG 31 14.019 1.039 -0.694 214 2HH2 ARG 31 HH12 ARG 31 13.265 2.147 -1.792 215 H LYS 32 HN LYS 32 6.650 -3.458 0.723 216 HA LYS 32 HA LYS 32 5.737 -4.664 -1.840 217 1HB LYS 32 HB2 LYS 32 6.724 -6.210 0.263 218 2HB LYS 32 HB1 LYS 32 4.972 -6.283 0.466 219 1HG LYS 32 HG2 LYS 32 5.510 -6.525 -2.320 220 2HG LYS 32 HG1 LYS 32 6.593 -7.634 -1.478 221 1HD LYS 32 HD2 LYS 32 4.809 -9.038 -1.441 222 2HD LYS 32 HD1 LYS 32 4.231 -8.018 -0.123 223 1HE LYS 32 HE2 LYS 32 2.665 -6.969 -1.434 224 2HE LYS 32 HE1 LYS 32 3.659 -7.075 -2.888 225 1HZ LYS 32 HZ1 LYS 32 3.139 -9.387 -3.089 226 2HZ LYS 32 HZ2 LYS 32 1.683 -8.525 -2.940 227 3HZ LYS 32 HZ3 LYS 32 2.302 -9.387 -1.614 228 H CYS 33 HN CYS 33 3.981 -3.359 -2.190 229 HA CYS 33 HA CYS 33 2.335 -2.405 0.033 230 1HB CYS 33 HB2 CYS 33 2.547 -1.901 -2.867 231 2HB CYS 33 HB1 CYS 33 0.908 -1.808 -2.225 232 H LYS 34 HN LYS 34 0.607 -3.459 0.849 233 HA LYS 34 HA LYS 34 -0.663 -5.583 -0.833 234 1HB LYS 34 HB2 LYS 34 0.580 -5.814 1.724 235 2HB LYS 34 HB1 LYS 34 -1.156 -6.029 1.955 236 1HG LYS 34 HG2 LYS 34 -1.202 -7.733 0.187 237 2HG LYS 34 HG1 LYS 34 0.526 -7.505 -0.092 238 1HD LYS 34 HD2 LYS 34 1.107 -8.421 2.008 239 2HD LYS 34 HD1 LYS 34 -0.533 -8.240 2.635 240 1HE LYS 34 HE2 LYS 34 -0.422 -10.534 2.141 241 2HE LYS 34 HE1 LYS 34 -1.197 -9.864 0.707 242 1HZ LYS 34 HZ1 LYS 34 0.525 -10.432 -0.555 243 2HZ LYS 34 HZ2 LYS 34 1.068 -11.377 0.747 244 3HZ LYS 34 HZ3 LYS 34 1.657 -9.797 0.537 245 H CYS 35 HN CYS 35 -2.333 -4.212 -1.579 246 HA CYS 35 HA CYS 35 -3.938 -2.725 0.402 247 1HB CYS 35 HB2 CYS 35 -4.080 -2.972 -2.614 248 2HB CYS 35 HB1 CYS 35 -5.242 -2.044 -1.664 249 H PHE 36 HN PHE 36 -6.030 -3.287 0.998 250 HA PHE 36 HA PHE 36 -6.780 -6.076 0.671 251 1HB PHE 36 HB2 PHE 36 -7.801 -3.713 2.158 252 2HB PHE 36 HB1 PHE 36 -8.988 -4.954 1.759 253 HD1 PHE 36 HD1 PHE 36 -5.403 -5.679 2.271 254 HD2 PHE 36 HD2 PHE 36 -9.320 -5.739 4.033 255 HE1 PHE 36 HE1 PHE 36 -4.548 -7.093 4.122 256 HE2 PHE 36 HE2 PHE 36 -8.466 -7.152 5.883 257 HZ PHE 36 HZ PHE 36 -6.081 -7.829 5.928 258 H GLY 37 HN GLY 37 -8.526 -3.054 -0.160 259 1HA GLY 37 HA2 GLY 37 -10.031 -2.616 -1.906 260 2HA GLY 37 HA1 GLY 37 -9.101 -3.785 -2.844 261 H ARG 38 HN ARG 38 -11.259 -4.001 0.011 262 HA ARG 38 HA ARG 38 -12.224 -6.582 -0.412 263 1HB ARG 38 HB2 ARG 38 -12.795 -5.102 1.537 264 2HB ARG 38 HB1 ARG 38 -13.924 -4.239 0.491 265 1HG ARG 38 HG2 ARG 38 -15.045 -6.011 1.841 266 2HG ARG 38 HG1 ARG 38 -15.190 -6.293 0.105 267 1HD ARG 38 HD2 ARG 38 -13.648 -8.050 0.126 268 2HD ARG 38 HD1 ARG 38 -12.891 -7.498 1.619 269 HE ARG 38 HE ARG 38 -15.110 -9.314 1.459 270 1HH1 ARG 38 HH21 ARG 38 -13.391 -9.279 3.826 271 2HH1 ARG 38 HH22 ARG 38 -14.379 -8.523 5.031 272 1HH2 ARG 38 HH11 ARG 38 -16.610 -7.181 2.738 273 2HH2 ARG 38 HH12 ARG 38 -16.203 -7.334 4.414 Start of MODEL 18 1 1H THR 4 HT1 THR 4 6.466 -3.275 -6.962 2 2H THR 4 HT2 THR 4 6.235 -2.830 -8.586 3 3H THR 4 HT3 THR 4 5.330 -4.100 -7.912 4 HA THR 4 HA THR 4 4.152 -1.894 -8.176 5 HB THR 4 HB THR 4 4.166 -2.766 -5.308 6 HG1 THR 4 HG1 THR 4 3.204 -4.330 -7.467 7 1HG2 THR 4 HG21 THR 4 2.499 -1.218 -6.790 8 2HG2 THR 4 HG22 THR 4 1.972 -2.150 -5.389 9 3HG2 THR 4 HG23 THR 4 1.747 -2.797 -7.014 10 H ILE 5 HN ILE 5 3.896 -0.773 -5.349 11 HA ILE 5 HA ILE 5 5.757 1.429 -5.732 12 HB ILE 5 HB ILE 5 4.088 1.040 -3.288 13 1HG1 ILE 5 HG12 ILE 5 2.593 0.489 -5.157 14 2HG1 ILE 5 HG11 ILE 5 2.186 2.077 -4.513 15 1HG2 ILE 5 HG21 ILE 5 4.985 3.394 -4.951 16 2HG2 ILE 5 HG22 ILE 5 5.508 2.979 -3.318 17 3HG2 ILE 5 HG23 ILE 5 3.855 3.527 -3.604 18 1HD1 ILE 5 HD11 ILE 5 3.156 1.357 -7.166 19 2HD1 ILE 5 HD12 ILE 5 4.139 2.618 -6.422 20 3HD1 ILE 5 HD13 ILE 5 2.402 2.854 -6.618 21 H SER 6 HN SER 6 7.129 2.180 -3.893 22 HA SER 6 HA SER 6 8.283 -0.139 -2.391 23 1HB SER 6 HB2 SER 6 9.663 2.324 -3.506 24 2HB SER 6 HB1 SER 6 10.438 1.149 -2.446 25 HG SER 6 HG SER 6 9.532 -0.387 -4.168 26 H CYS 7 HN CYS 7 7.542 0.088 -0.313 27 HA CYS 7 HA CYS 7 7.923 2.742 0.982 28 1HB CYS 7 HB2 CYS 7 5.685 2.478 2.079 29 2HB CYS 7 HB1 CYS 7 5.581 2.714 0.334 30 H THR 8 HN THR 8 7.010 2.268 3.438 31 HA THR 8 HA THR 8 8.073 -0.332 4.391 32 HB THR 8 HB THR 8 9.602 0.652 5.934 33 HG1 THR 8 HG1 THR 8 9.360 2.620 6.636 34 1HG2 THR 8 HG21 THR 8 9.882 2.357 3.451 35 2HG2 THR 8 HG22 THR 8 10.286 0.640 3.486 36 3HG2 THR 8 HG23 THR 8 11.167 1.775 4.509 37 H ASN 9 HN ASN 9 6.479 2.751 5.145 38 HA ASN 9 HA ASN 9 5.176 1.566 7.516 39 1HB ASN 9 HB2 ASN 9 4.965 4.327 6.274 40 2HB ASN 9 HB1 ASN 9 4.200 3.838 7.785 41 1HD2 ASN 9 HD21 ASN 9 5.412 4.892 9.389 42 2HD2 ASN 9 HD22 ASN 9 7.103 4.813 9.519 43 H GLU 10 HN GLU 10 2.797 1.575 7.678 44 HA GLU 10 HA GLU 10 1.547 0.483 5.330 45 1HB GLU 10 HB2 GLU 10 0.331 1.491 7.919 46 2HB GLU 10 HB1 GLU 10 -0.535 0.561 6.696 47 1HG GLU 10 HG2 GLU 10 1.511 -1.100 6.986 48 2HG GLU 10 HG1 GLU 10 1.632 -0.320 8.563 49 H LYS 11 HN LYS 11 1.262 3.668 6.922 50 HA LYS 11 HA LYS 11 -0.765 4.665 5.152 51 1HB LYS 11 HB2 LYS 11 -0.052 5.646 7.398 52 2HB LYS 11 HB1 LYS 11 1.325 6.347 6.548 53 1HG LYS 11 HG2 LYS 11 -0.966 6.921 4.980 54 2HG LYS 11 HG1 LYS 11 -1.391 7.297 6.651 55 1HD LYS 11 HD2 LYS 11 1.302 8.196 6.028 56 2HD LYS 11 HD1 LYS 11 0.123 8.898 4.920 57 1HE LYS 11 HE2 LYS 11 -1.277 9.458 6.985 58 2HE LYS 11 HE1 LYS 11 0.150 9.053 7.939 59 1HZ LYS 11 HZ1 LYS 11 0.424 10.911 5.684 60 2HZ LYS 11 HZ2 LYS 11 1.318 10.825 7.127 61 3HZ LYS 11 HZ3 LYS 11 -0.250 11.480 7.132 62 H GLN 12 HN GLN 12 2.451 3.884 4.502 63 HA GLN 12 HA GLN 12 3.151 6.033 2.719 64 1HB GLN 12 HB2 GLN 12 4.128 3.215 3.114 65 2HB GLN 12 HB1 GLN 12 4.705 4.172 1.750 66 1HG GLN 12 HG2 GLN 12 4.748 5.263 4.563 67 2HG GLN 12 HG1 GLN 12 6.077 4.288 3.935 68 1HE2 GLN 12 HE21 GLN 12 7.724 5.618 3.173 69 2HE2 GLN 12 HE22 GLN 12 7.494 7.087 2.355 70 H CYS 13 HN CYS 13 0.722 3.743 2.444 71 HA CYS 13 HA CYS 13 0.601 4.197 -0.498 72 1HB CYS 13 HB2 CYS 13 1.077 1.664 0.819 73 2HB CYS 13 HB1 CYS 13 -0.456 1.619 -0.051 74 H TYR 14 HN TYR 14 -0.819 5.322 1.871 75 HA TYR 14 HA TYR 14 -3.471 4.165 1.953 76 1HB TYR 14 HB2 TYR 14 -2.091 6.482 3.128 77 2HB TYR 14 HB1 TYR 14 -3.806 6.748 2.812 78 HD1 TYR 14 HD1 TYR 14 -2.292 3.443 3.530 79 HD2 TYR 14 HD2 TYR 14 -4.580 6.726 5.093 80 HE1 TYR 14 HE1 TYR 14 -2.882 2.086 5.521 81 HE2 TYR 14 HE2 TYR 14 -5.170 5.369 7.083 82 HH TYR 14 HH TYR 14 -4.634 3.484 8.245 83 HA PRO 15 HA PRO 15 -4.598 7.817 -0.925 84 1HB PRO 15 HB2 PRO 15 -2.518 9.189 -2.089 85 2HB PRO 15 HB1 PRO 15 -3.262 9.652 -0.547 86 1HG PRO 15 HG2 PRO 15 -0.635 8.326 -1.044 87 2HG PRO 15 HG1 PRO 15 -1.131 9.362 0.304 88 1HD PRO 15 HD2 PRO 15 -0.937 6.552 0.367 89 2HD PRO 15 HD1 PRO 15 -1.768 7.558 1.573 90 H HIS 16 HN HIS 16 -1.589 6.157 -1.872 91 HA HIS 16 HA HIS 16 -2.213 6.069 -4.681 92 1HB HIS 16 HB2 HIS 16 -0.002 5.549 -4.523 93 2HB HIS 16 HB1 HIS 16 -0.170 4.969 -2.870 94 HD1 HIS 16 HD1 HIS 16 -0.015 3.815 -6.398 95 HD2 HIS 16 HD2 HIS 16 -0.916 2.181 -2.672 96 HE1 HIS 16 HE1 HIS 16 0.000 1.299 -6.699 97 H CYS 17 HN CYS 17 -2.839 3.861 -1.969 98 HA CYS 17 HA CYS 17 -3.957 1.747 -3.578 99 1HB CYS 17 HB2 CYS 17 -3.913 2.453 -0.677 100 2HB CYS 17 HB1 CYS 17 -5.145 1.314 -1.218 101 H LYS 18 HN LYS 18 -5.380 4.553 -1.911 102 HA LYS 18 HA LYS 18 -8.114 3.834 -2.404 103 1HB LYS 18 HB2 LYS 18 -7.545 5.538 -0.752 104 2HB LYS 18 HB1 LYS 18 -6.835 6.556 -2.006 105 1HG LYS 18 HG2 LYS 18 -9.076 6.607 -3.143 106 2HG LYS 18 HG1 LYS 18 -9.746 5.755 -1.751 107 1HD LYS 18 HD2 LYS 18 -8.157 8.259 -1.299 108 2HD LYS 18 HD1 LYS 18 -9.830 8.389 -1.842 109 1HE LYS 18 HE2 LYS 18 -8.982 6.739 0.552 110 2HE LYS 18 HE1 LYS 18 -9.546 8.406 0.671 111 1HZ LYS 18 HZ1 LYS 18 -11.542 7.431 0.851 112 2HZ LYS 18 HZ2 LYS 18 -11.033 5.983 0.123 113 3HZ LYS 18 HZ3 LYS 18 -11.456 7.318 -0.839 114 H LYS 19 HN LYS 19 -6.024 6.189 -4.114 115 HA LYS 19 HA LYS 19 -7.817 6.803 -6.200 116 1HB LYS 19 HB2 LYS 19 -5.458 7.783 -5.645 117 2HB LYS 19 HB1 LYS 19 -4.866 6.520 -6.727 118 1HG LYS 19 HG2 LYS 19 -5.670 7.563 -8.578 119 2HG LYS 19 HG1 LYS 19 -7.175 8.016 -7.779 120 1HD LYS 19 HD2 LYS 19 -6.374 10.121 -7.682 121 2HD LYS 19 HD1 LYS 19 -5.213 9.538 -6.487 122 1HE LYS 19 HE2 LYS 19 -3.905 8.750 -8.671 123 2HE LYS 19 HE1 LYS 19 -4.832 10.057 -9.407 124 1HZ LYS 19 HZ1 LYS 19 -3.045 11.218 -8.663 125 2HZ LYS 19 HZ2 LYS 19 -2.753 10.177 -7.352 126 3HZ LYS 19 HZ3 LYS 19 -4.010 11.318 -7.272 127 H GLU 20 HN GLU 20 -5.728 4.000 -5.768 128 HA GLU 20 HA GLU 20 -5.885 2.987 -8.437 129 1HB GLU 20 HB2 GLU 20 -4.512 2.215 -6.268 130 2HB GLU 20 HB1 GLU 20 -5.845 1.066 -6.154 131 1HG GLU 20 HG2 GLU 20 -5.153 1.064 -8.865 132 2HG GLU 20 HG1 GLU 20 -3.608 1.104 -8.014 133 H THR 21 HN THR 21 -7.879 2.228 -5.554 134 HA THR 21 HA THR 21 -10.060 1.467 -7.445 135 HB THR 21 HB THR 21 -9.042 -0.607 -6.588 136 HG1 THR 21 HG1 THR 21 -10.972 -1.382 -6.380 137 1HG2 THR 21 HG21 THR 21 -8.435 0.771 -4.363 138 2HG2 THR 21 HG22 THR 21 -8.561 -0.987 -4.378 139 3HG2 THR 21 HG23 THR 21 -9.915 -0.011 -3.807 140 H GLY 22 HN GLY 22 -9.171 2.478 -4.151 141 1HA GLY 22 HA2 GLY 22 -10.660 4.562 -3.580 142 2HA GLY 22 HA1 GLY 22 -11.974 3.396 -3.736 143 H TYR 23 HN TYR 23 -9.759 1.425 -2.613 144 HA TYR 23 HA TYR 23 -10.599 1.831 0.195 145 1HB TYR 23 HB2 TYR 23 -9.692 -0.443 -1.454 146 2HB TYR 23 HB1 TYR 23 -9.084 -0.447 0.202 147 HD1 TYR 23 HD1 TYR 23 -11.736 -1.485 -1.826 148 HD2 TYR 23 HD2 TYR 23 -10.956 0.277 2.013 149 HE1 TYR 23 HE1 TYR 23 -13.944 -2.271 -1.017 150 HE2 TYR 23 HE2 TYR 23 -13.165 -0.510 2.822 151 HH TYR 23 HH TYR 23 -15.568 -1.183 1.242 152 HA PRO 24 HA PRO 24 -6.563 3.625 0.909 153 1HB PRO 24 HB2 PRO 24 -7.071 4.325 3.517 154 2HB PRO 24 HB1 PRO 24 -7.625 5.270 2.124 155 1HG PRO 24 HG2 PRO 24 -9.196 3.494 3.930 156 2HG PRO 24 HG1 PRO 24 -9.738 4.881 2.968 157 1HD PRO 24 HD2 PRO 24 -10.101 2.149 2.303 158 2HD PRO 24 HD1 PRO 24 -10.354 3.535 1.220 159 H ASN 25 HN ASN 25 -8.132 1.364 3.179 160 HA ASN 25 HA ASN 25 -6.016 0.639 4.821 161 1HB ASN 25 HB2 ASN 25 -8.509 -0.399 4.316 162 2HB ASN 25 HB1 ASN 25 -7.460 -1.693 3.736 163 1HD2 ASN 25 HD21 ASN 25 -5.612 -2.288 5.359 164 2HD2 ASN 25 HD22 ASN 25 -6.020 -2.281 7.007 165 H ALA 26 HN ALA 26 -3.961 0.599 3.910 166 HA ALA 26 HA ALA 26 -3.510 -1.485 1.810 167 1HB ALA 26 HB1 ALA 26 -3.211 0.869 0.979 168 2HB ALA 26 HB2 ALA 26 -1.743 -0.104 0.877 169 3HB ALA 26 HB3 ALA 26 -1.930 1.078 2.172 170 H LYS 27 HN LYS 27 -1.323 -2.477 1.928 171 HA LYS 27 HA LYS 27 -0.206 -2.361 4.702 172 1HB LYS 27 HB2 LYS 27 -1.378 -4.574 3.359 173 2HB LYS 27 HB1 LYS 27 0.357 -4.881 3.435 174 1HG LYS 27 HG2 LYS 27 -0.275 -5.706 5.503 175 2HG LYS 27 HG1 LYS 27 0.043 -4.026 5.936 176 1HD LYS 27 HD2 LYS 27 -2.155 -3.573 6.309 177 2HD LYS 27 HD1 LYS 27 -2.685 -4.539 4.931 178 1HE LYS 27 HE2 LYS 27 -2.160 -6.604 6.286 179 2HE LYS 27 HE1 LYS 27 -1.886 -5.550 7.673 180 1HZ LYS 27 HZ1 LYS 27 -4.236 -4.650 6.879 181 2HZ LYS 27 HZ2 LYS 27 -4.076 -5.941 7.972 182 3HZ LYS 27 HZ3 LYS 27 -4.375 -6.247 6.328 183 H CYS 28 HN CYS 28 1.953 -1.953 4.798 184 HA CYS 28 HA CYS 28 3.487 -2.068 2.232 185 1HB CYS 28 HB2 CYS 28 3.463 -0.159 4.526 186 2HB CYS 28 HB1 CYS 28 5.017 -0.469 3.751 187 H MET 29 HN MET 29 4.593 -4.001 2.287 188 HA MET 29 HA MET 29 6.438 -4.416 4.569 189 1HB MET 29 HB2 MET 29 5.769 -6.732 4.899 190 2HB MET 29 HB1 MET 29 4.352 -5.701 5.095 191 1HG MET 29 HG2 MET 29 3.325 -6.550 3.251 192 2HG MET 29 HG1 MET 29 4.825 -6.602 2.326 193 1HE MET 29 HE1 MET 29 3.638 -9.618 5.585 194 2HE MET 29 HE2 MET 29 2.487 -8.484 4.884 195 3HE MET 29 HE3 MET 29 3.877 -7.876 5.780 196 H ASN 30 HN ASN 30 8.224 -5.818 4.015 197 HA ASN 30 HA ASN 30 9.918 -6.401 2.480 198 1HB ASN 30 HB2 ASN 30 7.480 -7.921 1.924 199 2HB ASN 30 HB1 ASN 30 8.524 -7.783 0.509 200 1HD2 ASN 30 HD21 ASN 30 9.982 -9.486 0.397 201 2HD2 ASN 30 HD22 ASN 30 10.694 -10.255 1.733 202 H ARG 31 HN ARG 31 9.007 -3.789 2.022 203 HA ARG 31 HA ARG 31 8.818 -2.145 0.345 204 1HB ARG 31 HB2 ARG 31 10.486 -4.082 -1.276 205 2HB ARG 31 HB1 ARG 31 10.480 -2.320 -1.367 206 1HG ARG 31 HG2 ARG 31 11.036 -3.253 1.335 207 2HG ARG 31 HG1 ARG 31 12.208 -3.879 0.174 208 1HD ARG 31 HD2 ARG 31 13.082 -1.819 -0.248 209 2HD ARG 31 HD1 ARG 31 11.507 -1.029 -0.176 210 HE ARG 31 HE ARG 31 11.885 -1.564 2.438 211 1HH1 ARG 31 HH11 ARG 31 14.838 -1.887 1.466 212 2HH1 ARG 31 HH12 ARG 31 15.470 -0.341 1.924 213 1HH2 ARG 31 HH21 ARG 31 12.344 1.081 2.417 214 2HH2 ARG 31 HH22 ARG 31 14.056 1.340 2.469 215 H LYS 32 HN LYS 32 6.551 -3.667 0.364 216 HA LYS 32 HA LYS 32 5.888 -3.764 -2.528 217 1HB LYS 32 HB2 LYS 32 6.216 -6.086 -0.889 218 2HB LYS 32 HB1 LYS 32 4.499 -5.914 -1.260 219 1HG LYS 32 HG2 LYS 32 4.808 -6.360 -3.467 220 2HG LYS 32 HG1 LYS 32 6.288 -5.404 -3.548 221 1HD LYS 32 HD2 LYS 32 7.220 -7.414 -2.053 222 2HD LYS 32 HD1 LYS 32 5.931 -8.290 -2.879 223 1HE LYS 32 HE2 LYS 32 7.083 -6.851 -4.935 224 2HE LYS 32 HE1 LYS 32 8.475 -7.276 -3.940 225 1HZ LYS 32 HZ1 LYS 32 8.365 -9.330 -4.716 226 2HZ LYS 32 HZ2 LYS 32 7.033 -8.915 -5.685 227 3HZ LYS 32 HZ3 LYS 32 6.790 -9.505 -4.111 228 H CYS 33 HN CYS 33 3.964 -2.770 -2.889 229 HA CYS 33 HA CYS 33 2.320 -2.037 -0.521 230 1HB CYS 33 HB2 CYS 33 2.848 -0.846 -3.183 231 2HB CYS 33 HB1 CYS 33 1.189 -0.696 -2.602 232 H LYS 34 HN LYS 34 0.406 -3.067 -0.175 233 HA LYS 34 HA LYS 34 -0.974 -4.308 -2.506 234 1HB LYS 34 HB2 LYS 34 -1.366 -6.365 -1.263 235 2HB LYS 34 HB1 LYS 34 0.370 -6.054 -1.313 236 1HG LYS 34 HG2 LYS 34 0.102 -4.893 0.941 237 2HG LYS 34 HG1 LYS 34 -1.527 -5.570 0.994 238 1HD LYS 34 HD2 LYS 34 0.108 -7.726 0.272 239 2HD LYS 34 HD1 LYS 34 1.018 -6.875 1.521 240 1HE LYS 34 HE2 LYS 34 -1.080 -6.864 2.924 241 2HE LYS 34 HE1 LYS 34 -1.819 -7.918 1.718 242 1HZ LYS 34 HZ1 LYS 34 0.314 -8.485 3.633 243 2HZ LYS 34 HZ2 LYS 34 0.403 -9.247 2.117 244 3HZ LYS 34 HZ3 LYS 34 -0.960 -9.475 3.106 245 H CYS 35 HN CYS 35 -2.977 -3.417 -2.539 246 HA CYS 35 HA CYS 35 -4.124 -2.329 -0.042 247 1HB CYS 35 HB2 CYS 35 -5.591 -2.304 -2.658 248 2HB CYS 35 HB1 CYS 35 -5.558 -1.085 -1.386 249 H PHE 36 HN PHE 36 -5.876 -3.238 1.012 250 HA PHE 36 HA PHE 36 -7.535 -5.276 -0.263 251 1HB PHE 36 HB2 PHE 36 -5.356 -6.001 1.662 252 2HB PHE 36 HB1 PHE 36 -6.879 -6.887 1.738 253 HD1 PHE 36 HD1 PHE 36 -7.832 -7.415 -0.791 254 HD2 PHE 36 HD2 PHE 36 -3.713 -6.996 0.353 255 HE1 PHE 36 HE1 PHE 36 -7.148 -8.768 -2.756 256 HE2 PHE 36 HE2 PHE 36 -3.029 -8.346 -1.610 257 HZ PHE 36 HZ PHE 36 -4.746 -9.233 -3.164 258 H GLY 37 HN GLY 37 -8.655 -3.116 0.613 259 1HA GLY 37 HA2 GLY 37 -9.150 -2.533 3.267 260 2HA GLY 37 HA1 GLY 37 -10.418 -2.453 2.043 261 H ARG 38 HN ARG 38 -10.454 -5.260 1.420 262 HA ARG 38 HA ARG 38 -10.722 -6.960 3.673 263 1HB ARG 38 HB2 ARG 38 -12.728 -5.014 3.660 264 2HB ARG 38 HB1 ARG 38 -13.505 -6.439 2.971 265 1HG ARG 38 HG2 ARG 38 -12.123 -7.562 5.039 266 2HG ARG 38 HG1 ARG 38 -12.505 -5.979 5.717 267 1HD ARG 38 HD2 ARG 38 -14.747 -7.250 4.289 268 2HD ARG 38 HD1 ARG 38 -14.218 -8.124 5.727 269 HE ARG 38 HE ARG 38 -15.003 -5.236 5.790 270 1HH1 ARG 38 HH21 ARG 38 -13.688 -6.202 8.240 271 2HH1 ARG 38 HH22 ARG 38 -15.013 -6.770 9.199 272 1HH2 ARG 38 HH11 ARG 38 -17.224 -6.927 6.533 273 2HH2 ARG 38 HH12 ARG 38 -17.016 -7.178 8.235
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