NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
588780 | 2rv3 | 11483 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 2.040 -16.035 -6.610 2 H2 GLY 1 2H GLY 1 2.647 -15.354 -5.253 3 H3 GLY 1 3H GLY 1 2.015 -16.867 -5.192 4 HA2 GLY 1 1HA GLY 1 4.436 -16.938 -5.140 5 HA3 GLY 1 2HA GLY 1 3.759 -17.747 -6.567 6 H SER 2 H SER 2 6.276 -17.127 -6.925 7 HA SER 2 HA SER 2 7.001 -14.503 -7.633 8 HB2 SER 2 1HB SER 2 8.099 -17.095 -8.783 9 HB3 SER 2 2HB SER 2 8.915 -15.520 -8.743 10 HG SER 2 HG SER 2 9.581 -16.884 -7.015 11 H SER 3 H SER 3 5.283 -16.871 -9.599 12 HA SER 3 HA SER 3 5.627 -15.367 -12.097 13 HB2 SER 3 1HB SER 3 3.949 -17.827 -11.508 14 HB3 SER 3 2HB SER 3 4.358 -17.178 -13.109 15 HG SER 3 HG SER 3 5.752 -18.897 -12.496 16 H GLY 4 H GLY 4 3.431 -15.025 -9.500 17 HA2 GLY 4 1HA GLY 4 1.912 -12.993 -10.581 18 HA3 GLY 4 2HA GLY 4 1.009 -14.442 -11.018 19 H SER 5 H SER 5 0.099 -12.323 -9.372 20 HA SER 5 HA SER 5 0.061 -13.224 -6.577 21 HB2 SER 5 1HB SER 5 -1.269 -11.165 -6.235 22 HB3 SER 5 2HB SER 5 0.284 -10.865 -7.030 23 HG SER 5 HG SER 5 -1.445 -9.741 -8.049 24 H SER 6 H SER 6 -2.063 -13.208 -5.419 25 HA SER 6 HA SER 6 -4.417 -14.130 -6.946 26 HB2 SER 6 1HB SER 6 -3.127 -16.175 -6.258 27 HB3 SER 6 2HB SER 6 -3.353 -15.693 -4.565 28 HG SER 6 HG SER 6 -4.968 -17.174 -5.329 29 H GLY 7 H GLY 7 -6.401 -13.981 -5.701 30 HA2 GLY 7 1HA GLY 7 -7.884 -12.800 -4.351 31 HA3 GLY 7 2HA GLY 7 -6.583 -12.574 -3.184 32 H LYS 8 H LYS 8 -7.223 -10.433 -2.771 33 HA LYS 8 HA LYS 8 -6.225 -8.422 -4.713 34 HB2 LYS 8 1HB LYS 8 -8.684 -8.641 -5.056 35 HB3 LYS 8 2HB LYS 8 -8.951 -8.212 -3.362 36 HG2 LYS 8 1HG LYS 8 -7.875 -6.002 -3.756 37 HG3 LYS 8 2HG LYS 8 -7.589 -6.435 -5.446 38 HD2 LYS 8 1HD LYS 8 -10.327 -6.196 -4.114 39 HD3 LYS 8 2HD LYS 8 -9.554 -4.945 -5.096 40 HE2 LYS 8 1HE LYS 8 -9.514 -6.499 -7.046 41 HE3 LYS 8 2HE LYS 8 -10.338 -7.727 -6.075 42 HZ1 LYS 8 3HZ LYS 8 -12.219 -6.192 -5.848 43 HZ2 LYS 8 1HZ LYS 8 -11.912 -6.472 -7.425 44 HZ3 LYS 8 2HZ LYS 8 -11.460 -5.059 -6.749 45 H THR 9 H THR 9 -5.143 -6.791 -3.808 46 HA THR 9 HA THR 9 -5.417 -6.080 -0.951 47 HB THR 9 HB THR 9 -2.948 -5.986 -0.653 48 HG1 THR 9 1HG THR 9 -2.884 -7.627 -2.965 49 HG21 THR 9 3HG2 THR 9 -2.525 -8.289 -0.175 50 HG22 THR 9 1HG2 THR 9 -3.858 -8.826 -1.216 51 HG23 THR 9 2HG2 THR 9 -4.196 -7.909 0.274 52 H HIS 10 H HIS 10 -4.526 -4.020 -0.426 53 HA HIS 10 HA HIS 10 -4.064 -2.183 -2.731 54 HB2 HIS 10 1HB HIS 10 -4.530 -1.642 0.223 55 HB3 HIS 10 2HB HIS 10 -4.212 -0.426 -1.007 56 HD1 HIS 10 1HD HIS 10 -6.225 0.196 -2.650 57 HD2 HIS 10 2HD HIS 10 -6.979 -2.897 0.096 58 HE1 HIS 10 1HE HIS 10 -8.752 -0.146 -2.640 59 H LEU 11 H LEU 11 -2.080 -2.801 -3.405 60 HA LEU 11 HA LEU 11 0.106 -3.343 -1.514 61 HB2 LEU 11 1HB LEU 11 -0.221 -4.962 -3.166 62 HB3 LEU 11 2HB LEU 11 -0.390 -3.761 -4.456 63 HG LEU 11 HG LEU 11 2.047 -3.220 -4.263 64 HD11 LEU 11 1HD1 LEU 11 2.139 -5.688 -2.479 65 HD12 LEU 11 2HD1 LEU 11 2.470 -4.028 -1.941 66 HD13 LEU 11 3HD1 LEU 11 3.529 -4.801 -3.122 67 HD21 LEU 11 3HD2 LEU 11 2.802 -5.271 -5.375 68 HD22 LEU 11 1HD2 LEU 11 1.191 -4.801 -5.941 69 HD23 LEU 11 2HD2 LEU 11 1.362 -6.139 -4.781 70 H CYS 12 H CYS 12 1.737 -2.115 -1.060 71 HA CYS 12 HA CYS 12 2.142 0.559 -2.153 72 HB2 CYS 12 1HB CYS 12 2.435 -0.238 0.262 73 HB3 CYS 12 2HB CYS 12 3.879 -1.085 -0.277 74 H ASP 13 H ASP 13 3.104 0.797 -4.112 75 HA ASP 13 HA ASP 13 4.914 -1.170 -5.262 76 HB2 ASP 13 1HB ASP 13 5.038 0.374 -7.129 77 HB3 ASP 13 2HB ASP 13 3.367 0.138 -6.634 78 H MET 14 H MET 14 5.410 1.146 -2.881 79 HA MET 14 HA MET 14 8.109 2.006 -3.716 80 HB2 MET 14 1HB MET 14 6.425 2.648 -1.273 81 HB3 MET 14 2HB MET 14 7.976 3.369 -1.660 82 HG2 MET 14 1HG MET 14 7.035 4.262 -3.762 83 HG3 MET 14 2HG MET 14 5.465 3.552 -3.373 84 HE1 MET 14 3HE MET 14 5.893 6.617 -4.135 85 HE2 MET 14 1HE MET 14 4.316 5.873 -3.783 86 HE3 MET 14 2HE MET 14 4.790 7.381 -2.965 87 H CYS 15 H CYS 15 6.663 -0.034 -1.199 88 HA CYS 15 HA CYS 15 9.372 -1.065 -0.469 89 HB2 CYS 15 1HB CYS 15 8.726 -1.211 1.830 90 HB3 CYS 15 2HB CYS 15 8.630 0.444 1.233 91 H GLY 16 H GLY 16 6.121 -1.875 -1.373 92 HA2 GLY 16 1HA GLY 16 5.493 -3.975 -2.234 93 HA3 GLY 16 2HA GLY 16 6.822 -4.754 -1.392 94 H LYS 17 H LYS 17 5.221 -2.792 0.857 95 HA LYS 17 HA LYS 17 3.932 -5.031 2.197 96 HB2 LYS 17 1HB LYS 17 3.911 -2.033 2.727 97 HB3 LYS 17 2HB LYS 17 3.119 -3.224 3.764 98 HG2 LYS 17 1HG LYS 17 5.285 -4.367 4.142 99 HG3 LYS 17 2HG LYS 17 6.102 -3.174 3.117 100 HD2 LYS 17 1HD LYS 17 5.304 -1.363 4.659 101 HD3 LYS 17 2HD LYS 17 4.648 -2.596 5.741 102 HE2 LYS 17 1HE LYS 17 7.574 -2.344 4.891 103 HE3 LYS 17 2HE LYS 17 6.909 -1.704 6.396 104 HZ1 LYS 17 3HZ LYS 17 7.928 -3.856 6.771 105 HZ2 LYS 17 1HZ LYS 17 6.982 -4.582 5.662 106 HZ3 LYS 17 2HZ LYS 17 6.326 -3.987 7.039 107 H LYS 18 H LYS 18 1.822 -5.437 2.581 108 HA LYS 18 HA LYS 18 -0.139 -4.433 0.545 109 HB2 LYS 18 1HB LYS 18 0.344 -7.154 1.801 110 HB3 LYS 18 2HB LYS 18 -1.180 -6.746 1.015 111 HG2 LYS 18 1HG LYS 18 -0.126 -6.347 -1.103 112 HG3 LYS 18 2HG LYS 18 1.485 -6.387 -0.388 113 HD2 LYS 18 1HD LYS 18 1.259 -8.774 0.133 114 HD3 LYS 18 2HD LYS 18 -0.381 -8.786 -0.546 115 HE2 LYS 18 1HE LYS 18 0.513 -8.094 -2.748 116 HE3 LYS 18 2HE LYS 18 2.151 -8.050 -2.078 117 HZ1 LYS 18 3HZ LYS 18 0.457 -10.486 -2.263 118 HZ2 LYS 18 1HZ LYS 18 1.969 -10.440 -1.641 119 HZ3 LYS 18 2HZ LYS 18 1.731 -10.145 -3.227 120 H PHE 19 H PHE 19 -2.017 -3.656 1.141 121 HA PHE 19 HA PHE 19 -2.800 -3.635 4.027 122 HB2 PHE 19 1HB PHE 19 -2.805 -1.383 1.985 123 HB3 PHE 19 2HB PHE 19 -3.446 -1.246 3.602 124 HD1 PHE 19 2HD PHE 19 -1.890 -1.537 5.609 125 HD2 PHE 19 1HD PHE 19 -0.423 -1.244 1.569 126 HE1 PHE 19 2HE PHE 19 0.383 -1.026 6.469 127 HE2 PHE 19 1HE PHE 19 1.847 -0.742 2.429 128 HZ PHE 19 HZ PHE 19 2.257 -0.643 4.881 129 H LYS 20 H LYS 20 -5.000 -3.263 4.514 130 HA LYS 20 HA LYS 20 -6.800 -4.702 2.691 131 HB2 LYS 20 1HB LYS 20 -8.214 -5.011 4.577 132 HB3 LYS 20 2HB LYS 20 -6.552 -5.340 5.059 133 HG2 LYS 20 1HG LYS 20 -6.437 -3.016 6.058 134 HG3 LYS 20 2HG LYS 20 -8.145 -2.802 5.680 135 HD2 LYS 20 1HD LYS 20 -6.934 -4.906 7.523 136 HD3 LYS 20 2HD LYS 20 -7.777 -3.453 8.041 137 HE2 LYS 20 1HE LYS 20 -9.031 -5.757 6.473 138 HE3 LYS 20 2HE LYS 20 -9.138 -5.534 8.217 139 HZ1 LYS 20 3HZ LYS 20 -11.106 -4.663 7.139 140 HZ2 LYS 20 1HZ LYS 20 -10.241 -3.649 6.201 141 HZ3 LYS 20 2HZ LYS 20 -10.298 -3.425 7.822 142 H SER 21 H SER 21 -6.183 -1.456 3.017 143 HA SER 21 HA SER 21 -8.589 -0.749 1.493 144 HB2 SER 21 1HB SER 21 -9.420 -0.395 3.746 145 HB3 SER 21 2HB SER 21 -7.978 0.537 4.181 146 HG SER 21 HG SER 21 -9.901 1.784 3.570 147 H LYS 22 H LYS 22 -8.339 1.100 0.275 148 HA LYS 22 HA LYS 22 -5.709 2.103 -0.369 149 HB2 LYS 22 1HB LYS 22 -6.981 3.854 -1.649 150 HB3 LYS 22 2HB LYS 22 -7.318 2.191 -2.097 151 HG2 LYS 22 1HG LYS 22 -9.447 2.225 -0.874 152 HG3 LYS 22 2HG LYS 22 -9.108 3.863 -0.291 153 HD2 LYS 22 1HD LYS 22 -9.140 4.708 -2.627 154 HD3 LYS 22 2HD LYS 22 -9.370 3.061 -3.220 155 HE2 LYS 22 1HE LYS 22 -11.501 4.119 -3.286 156 HE3 LYS 22 2HE LYS 22 -11.541 2.925 -1.989 157 HZ1 LYS 22 3HZ LYS 22 -11.143 5.850 -1.605 158 HZ2 LYS 22 1HZ LYS 22 -11.225 4.749 -0.395 159 HZ3 LYS 22 2HZ LYS 22 -12.532 5.049 -1.320 160 H GLY 23 H GLY 23 -8.112 3.145 1.988 161 HA2 GLY 23 1HA GLY 23 -6.906 5.707 2.635 162 HA3 GLY 23 2HA GLY 23 -7.998 4.754 3.651 163 H THR 24 H THR 24 -6.499 2.377 3.938 164 HA THR 24 HA THR 24 -4.541 3.066 5.926 165 HB THR 24 HB THR 24 -4.892 0.373 4.562 166 HG1 THR 24 1HG THR 24 -6.299 0.008 6.377 167 HG21 THR 24 3HG2 THR 24 -2.904 0.588 6.063 168 HG22 THR 24 1HG2 THR 24 -4.119 -0.519 6.721 169 HG23 THR 24 2HG2 THR 24 -3.970 1.131 7.374 170 H LEU 25 H LEU 25 -4.200 1.814 2.546 171 HA LEU 25 HA LEU 25 -1.357 1.812 2.481 172 HB2 LEU 25 1HB LEU 25 -2.660 0.664 0.816 173 HB3 LEU 25 2HB LEU 25 -3.517 2.137 0.382 174 HG LEU 25 HG LEU 25 -1.389 3.095 -0.531 175 HD11 LEU 25 1HD1 LEU 25 0.241 1.771 0.814 176 HD12 LEU 25 2HD1 LEU 25 0.531 1.620 -0.917 177 HD13 LEU 25 3HD1 LEU 25 -0.276 0.302 -0.046 178 HD21 LEU 25 3HD2 LEU 25 -2.128 0.399 -1.690 179 HD22 LEU 25 1HD2 LEU 25 -1.342 1.745 -2.539 180 HD23 LEU 25 2HD2 LEU 25 -3.009 1.925 -1.957 181 H LYS 26 H LYS 26 -3.678 4.470 1.658 182 HA LYS 26 HA LYS 26 -1.704 6.408 0.953 183 HB2 LYS 26 1HB LYS 26 -4.073 6.650 0.439 184 HB3 LYS 26 2HB LYS 26 -4.480 6.768 2.160 185 HG2 LYS 26 1HG LYS 26 -3.137 8.824 2.364 186 HG3 LYS 26 2HG LYS 26 -2.665 8.716 0.669 187 HD2 LYS 26 1HD LYS 26 -5.501 9.064 1.738 188 HD3 LYS 26 2HD LYS 26 -4.499 10.368 1.112 189 HE2 LYS 26 1HE LYS 26 -5.463 7.967 -0.518 190 HE3 LYS 26 2HE LYS 26 -6.247 9.545 -0.481 191 HZ1 LYS 26 3HZ LYS 26 -4.207 10.527 -1.381 192 HZ2 LYS 26 1HZ LYS 26 -4.779 9.378 -2.385 193 HZ3 LYS 26 2HZ LYS 26 -3.480 9.063 -1.452 194 H SER 27 H SER 27 -3.230 5.779 4.130 195 HA SER 27 HA SER 27 -1.772 7.694 5.644 196 HB2 SER 27 1HB SER 27 -2.867 4.999 6.545 197 HB3 SER 27 2HB SER 27 -2.359 6.324 7.604 198 HG SER 27 HG SER 27 -4.534 6.255 5.776 199 H HIS 28 H HIS 28 -0.780 4.550 4.463 200 HA HIS 28 HA HIS 28 1.695 4.437 6.057 201 HB2 HIS 28 1HB HIS 28 0.766 2.333 5.567 202 HB3 HIS 28 2HB HIS 28 0.443 2.740 3.888 203 HD1 HIS 28 1HD HIS 28 3.533 2.015 6.112 204 HD2 HIS 28 2HD HIS 28 2.256 2.202 2.111 205 HE1 HIS 28 1HE HIS 28 5.486 1.179 4.726 206 H LYS 29 H LYS 29 0.840 5.201 2.632 207 HA LYS 29 HA LYS 29 3.517 5.635 1.762 208 HB2 LYS 29 1HB LYS 29 0.792 6.417 0.712 209 HB3 LYS 29 2HB LYS 29 2.254 7.077 -0.040 210 HG2 LYS 29 1HG LYS 29 3.161 4.813 -0.362 211 HG3 LYS 29 2HG LYS 29 1.696 4.099 0.334 212 HD2 LYS 29 1HD LYS 29 0.348 4.864 -1.506 213 HD3 LYS 29 2HD LYS 29 1.631 5.956 -2.079 214 HE2 LYS 29 1HE LYS 29 3.099 4.011 -2.532 215 HE3 LYS 29 2HE LYS 29 1.820 2.909 -2.031 216 HZ1 LYS 29 3HZ LYS 29 1.540 4.852 -4.269 217 HZ2 LYS 29 1HZ LYS 29 0.490 3.651 -3.898 218 HZ3 LYS 29 2HZ LYS 29 1.989 3.305 -4.485 219 H LEU 30 H LEU 30 1.482 7.824 3.568 220 HA LEU 30 HA LEU 30 2.959 10.237 3.245 221 HB2 LEU 30 1HB LEU 30 1.552 9.038 5.662 222 HB3 LEU 30 2HB LEU 30 2.189 10.677 5.633 223 HG LEU 30 HG LEU 30 0.044 9.665 3.723 224 HD11 LEU 30 1HD1 LEU 30 -0.192 11.417 6.198 225 HD12 LEU 30 2HD1 LEU 30 -0.695 9.718 6.086 226 HD13 LEU 30 3HD1 LEU 30 -1.513 10.945 5.100 227 HD21 LEU 30 3HD2 LEU 30 1.281 11.554 2.770 228 HD22 LEU 30 1HD2 LEU 30 1.099 12.467 4.284 229 HD23 LEU 30 2HD2 LEU 30 -0.323 12.080 3.287 230 H LEU 31 H LEU 31 3.880 7.296 4.934 231 HA LEU 31 HA LEU 31 6.122 8.498 6.380 232 HB2 LEU 31 1HB LEU 31 5.569 5.570 5.786 233 HB3 LEU 31 2HB LEU 31 6.663 6.212 6.997 234 HG LEU 31 HG LEU 31 3.622 6.512 7.049 235 HD11 LEU 31 1HD1 LEU 31 4.394 4.210 7.447 236 HD12 LEU 31 2HD1 LEU 31 3.726 4.937 8.918 237 HD13 LEU 31 3HD1 LEU 31 5.489 4.788 8.723 238 HD21 LEU 31 3HD2 LEU 31 4.696 8.409 8.186 239 HD22 LEU 31 1HD2 LEU 31 5.731 7.295 9.110 240 HD23 LEU 31 2HD2 LEU 31 3.971 7.315 9.367 241 H HIS 32 H HIS 32 5.680 7.273 3.135 242 HA HIS 32 HA HIS 32 8.592 7.045 2.618 243 HB2 HIS 32 1HB HIS 32 6.183 6.773 0.782 244 HB3 HIS 32 2HB HIS 32 7.859 6.560 0.298 245 HD1 HIS 32 1HD HIS 32 9.048 4.565 2.282 246 HD2 HIS 32 2HD HIS 32 5.159 4.422 0.711 247 HE1 HIS 32 1HE HIS 32 8.353 2.127 2.382 248 H THR 33 H THR 33 5.843 9.218 1.799 249 HA THR 33 HA THR 33 7.750 11.403 1.240 250 HB THR 33 HB THR 33 7.578 10.288 -0.907 251 HG1 THR 33 1HG THR 33 7.003 12.109 -2.060 252 HG21 THR 33 3HG2 THR 33 5.295 9.296 -0.741 253 HG22 THR 33 1HG2 THR 33 5.544 10.220 -2.227 254 HG23 THR 33 2HG2 THR 33 4.597 10.924 -0.902 255 H ALA 34 H ALA 34 7.001 13.406 1.578 256 HA ALA 34 HA ALA 34 4.179 14.059 1.867 257 HB1 ALA 34 1HB ALA 34 6.049 14.201 4.281 258 HB2 ALA 34 2HB ALA 34 4.397 14.849 4.210 259 HB3 ALA 34 3HB ALA 34 4.664 13.101 4.101 260 H ASP 35 H ASP 35 3.867 16.402 2.171 261 HA ASP 35 HA ASP 35 5.812 17.995 0.704 262 HB2 ASP 35 1HB ASP 35 3.386 18.275 0.424 263 HB3 ASP 35 2HB ASP 35 3.233 18.766 2.114 264 H GLY 36 H GLY 36 7.090 19.680 1.410 265 HA2 GLY 36 1HA GLY 36 7.201 20.809 4.036 266 HA3 GLY 36 2HA GLY 36 8.384 19.506 3.923 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 10.341 -8.999 -12.558 2 H2 GLY 1 2H GLY 1 9.094 -8.050 -13.043 3 H3 GLY 1 3H GLY 1 9.199 -9.596 -13.571 4 HA2 GLY 1 1HA GLY 1 8.870 -10.451 -11.340 5 HA3 GLY 1 2HA GLY 1 8.739 -8.774 -10.779 6 H SER 2 H SER 2 6.631 -9.272 -9.963 7 HA SER 2 HA SER 2 4.469 -8.903 -11.941 8 HB2 SER 2 1HB SER 2 4.647 -11.352 -11.736 9 HB3 SER 2 2HB SER 2 4.502 -11.228 -9.972 10 HG SER 2 HG SER 2 2.508 -11.707 -11.141 11 H SER 3 H SER 3 2.575 -8.027 -11.059 12 HA SER 3 HA SER 3 2.790 -6.637 -8.471 13 HB2 SER 3 1HB SER 3 0.637 -5.631 -9.153 14 HB3 SER 3 2HB SER 3 1.916 -5.413 -10.359 15 HG SER 3 HG SER 3 -0.042 -6.080 -11.339 16 H GLY 4 H GLY 4 1.605 -9.686 -9.525 17 HA2 GLY 4 1HA GLY 4 0.441 -11.365 -8.452 18 HA3 GLY 4 2HA GLY 4 0.837 -10.540 -6.948 19 H SER 5 H SER 5 -1.040 -10.669 -5.839 20 HA SER 5 HA SER 5 -3.664 -10.366 -6.967 21 HB2 SER 5 1HB SER 5 -2.861 -10.405 -4.043 22 HB3 SER 5 2HB SER 5 -4.469 -10.735 -4.721 23 HG SER 5 HG SER 5 -3.326 -12.672 -4.273 24 H SER 6 H SER 6 -2.104 -7.952 -7.416 25 HA SER 6 HA SER 6 -2.966 -5.786 -5.730 26 HB2 SER 6 1HB SER 6 -1.082 -5.671 -7.348 27 HB3 SER 6 2HB SER 6 -2.252 -5.720 -8.684 28 HG SER 6 HG SER 6 -1.661 -3.567 -8.116 29 H GLY 7 H GLY 7 -4.636 -4.287 -6.015 30 HA2 GLY 7 1HA GLY 7 -6.748 -3.488 -6.631 31 HA3 GLY 7 2HA GLY 7 -6.870 -4.730 -7.880 32 H LYS 8 H LYS 8 -6.543 -7.076 -6.393 33 HA LYS 8 HA LYS 8 -8.992 -7.347 -4.788 34 HB2 LYS 8 1HB LYS 8 -6.643 -9.264 -5.133 35 HB3 LYS 8 2HB LYS 8 -8.193 -9.660 -4.419 36 HG2 LYS 8 1HG LYS 8 -7.663 -8.910 -7.328 37 HG3 LYS 8 2HG LYS 8 -8.012 -10.513 -6.704 38 HD2 LYS 8 1HD LYS 8 -9.949 -8.155 -6.730 39 HD3 LYS 8 2HD LYS 8 -9.954 -9.538 -7.829 40 HE2 LYS 8 1HE LYS 8 -10.326 -11.071 -5.892 41 HE3 LYS 8 2HE LYS 8 -10.395 -9.673 -4.811 42 HZ1 LYS 8 3HZ LYS 8 -12.616 -10.378 -5.485 43 HZ2 LYS 8 1HZ LYS 8 -12.266 -10.179 -7.064 44 HZ3 LYS 8 2HZ LYS 8 -12.332 -8.882 -6.071 45 H THR 9 H THR 9 -5.571 -6.959 -4.160 46 HA THR 9 HA THR 9 -6.137 -6.163 -1.332 47 HB THR 9 HB THR 9 -3.529 -7.406 -2.297 48 HG1 THR 9 1HG THR 9 -5.148 -8.957 -2.378 49 HG21 THR 9 3HG2 THR 9 -3.201 -7.803 0.150 50 HG22 THR 9 1HG2 THR 9 -4.672 -6.866 0.482 51 HG23 THR 9 2HG2 THR 9 -3.256 -6.085 -0.261 52 H HIS 10 H HIS 10 -4.990 -4.272 -0.640 53 HA HIS 10 HA HIS 10 -4.105 -2.501 -2.842 54 HB2 HIS 10 1HB HIS 10 -4.520 -1.955 0.117 55 HB3 HIS 10 2HB HIS 10 -4.135 -0.759 -1.112 56 HD1 HIS 10 1HD HIS 10 -6.130 -0.034 -2.773 57 HD2 HIS 10 2HD HIS 10 -7.061 -2.941 0.119 58 HE1 HIS 10 1HE HIS 10 -8.676 -0.173 -2.693 59 H LEU 11 H LEU 11 -1.972 -1.684 -3.042 60 HA LEU 11 HA LEU 11 0.128 -3.039 -1.404 61 HB2 LEU 11 1HB LEU 11 -0.291 -4.473 -3.223 62 HB3 LEU 11 2HB LEU 11 -0.399 -3.135 -4.376 63 HG LEU 11 HG LEU 11 2.070 -2.755 -4.118 64 HD11 LEU 11 1HD1 LEU 11 3.420 -4.575 -3.139 65 HD12 LEU 11 2HD1 LEU 11 1.947 -5.395 -2.591 66 HD13 LEU 11 3HD1 LEU 11 2.410 -3.827 -1.898 67 HD21 LEU 11 3HD2 LEU 11 2.708 -4.714 -5.444 68 HD22 LEU 11 1HD2 LEU 11 1.131 -4.093 -5.958 69 HD23 LEU 11 2HD2 LEU 11 1.216 -5.555 -4.946 70 H CYS 12 H CYS 12 1.847 -1.942 -0.913 71 HA CYS 12 HA CYS 12 2.360 0.813 -1.714 72 HB2 CYS 12 1HB CYS 12 2.835 -0.077 0.541 73 HB3 CYS 12 2HB CYS 12 3.961 -1.248 -0.157 74 H ASP 13 H ASP 13 3.382 1.400 -3.548 75 HA ASP 13 HA ASP 13 4.813 -0.564 -5.196 76 HB2 ASP 13 1HB ASP 13 4.871 1.160 -6.869 77 HB3 ASP 13 2HB ASP 13 3.249 1.023 -6.212 78 H MET 14 H MET 14 5.747 1.112 -2.532 79 HA MET 14 HA MET 14 8.460 1.894 -3.533 80 HB2 MET 14 1HB MET 14 6.752 2.835 -1.214 81 HB3 MET 14 2HB MET 14 8.423 3.360 -1.494 82 HG2 MET 14 1HG MET 14 7.803 4.146 -3.739 83 HG3 MET 14 2HG MET 14 6.122 3.715 -3.464 84 HE1 MET 14 3HE MET 14 4.701 6.377 -1.153 85 HE2 MET 14 1HE MET 14 4.365 5.218 -2.459 86 HE3 MET 14 2HE MET 14 5.043 4.644 -0.922 87 H CYS 15 H CYS 15 6.867 0.060 -0.959 88 HA CYS 15 HA CYS 15 9.435 -1.370 -0.536 89 HB2 CYS 15 1HB CYS 15 9.247 -1.445 1.822 90 HB3 CYS 15 2HB CYS 15 9.272 0.224 1.282 91 H GLY 16 H GLY 16 6.284 -1.727 -1.459 92 HA2 GLY 16 1HA GLY 16 5.382 -3.699 -2.291 93 HA3 GLY 16 2HA GLY 16 6.698 -4.603 -1.565 94 H LYS 17 H LYS 17 5.093 -2.756 0.801 95 HA LYS 17 HA LYS 17 3.909 -5.088 2.082 96 HB2 LYS 17 1HB LYS 17 3.834 -2.119 2.761 97 HB3 LYS 17 2HB LYS 17 3.166 -3.391 3.790 98 HG2 LYS 17 1HG LYS 17 5.392 -4.446 3.998 99 HG3 LYS 17 2HG LYS 17 6.075 -3.235 2.898 100 HD2 LYS 17 1HD LYS 17 5.422 -1.441 4.527 101 HD3 LYS 17 2HD LYS 17 4.869 -2.692 5.641 102 HE2 LYS 17 1HE LYS 17 7.112 -1.891 6.232 103 HE3 LYS 17 2HE LYS 17 7.140 -3.607 5.818 104 HZ1 LYS 17 3HZ LYS 17 8.117 -3.092 3.719 105 HZ2 LYS 17 1HZ LYS 17 8.960 -2.200 4.800 106 HZ3 LYS 17 2HZ LYS 17 7.824 -1.499 3.830 107 H LYS 18 H LYS 18 1.827 -5.568 2.499 108 HA LYS 18 HA LYS 18 -0.186 -4.491 0.573 109 HB2 LYS 18 1HB LYS 18 0.375 -7.248 1.656 110 HB3 LYS 18 2HB LYS 18 -1.226 -6.841 1.043 111 HG2 LYS 18 1HG LYS 18 -0.402 -6.303 -1.144 112 HG3 LYS 18 2HG LYS 18 1.280 -6.331 -0.600 113 HD2 LYS 18 1HD LYS 18 1.069 -8.763 -0.091 114 HD3 LYS 18 2HD LYS 18 -0.593 -8.738 -0.723 115 HE2 LYS 18 1HE LYS 18 0.239 -8.035 -2.938 116 HE3 LYS 18 2HE LYS 18 1.890 -7.935 -2.310 117 HZ1 LYS 18 3HZ LYS 18 1.526 -10.037 -3.464 118 HZ2 LYS 18 1HZ LYS 18 0.296 -10.439 -2.464 119 HZ3 LYS 18 2HZ LYS 18 1.820 -10.329 -1.889 120 H PHE 19 H PHE 19 -2.224 -4.056 1.148 121 HA PHE 19 HA PHE 19 -2.915 -3.829 4.044 122 HB2 PHE 19 1HB PHE 19 -3.009 -1.643 1.933 123 HB3 PHE 19 2HB PHE 19 -3.620 -1.486 3.571 124 HD1 PHE 19 2HD PHE 19 -2.051 -1.467 5.523 125 HD2 PHE 19 1HD PHE 19 -0.607 -1.598 1.466 126 HE1 PHE 19 2HE PHE 19 0.210 -0.800 6.306 127 HE2 PHE 19 1HE PHE 19 1.650 -0.935 2.249 128 HZ PHE 19 HZ PHE 19 2.067 -0.551 4.672 129 H LYS 20 H LYS 20 -5.086 -3.543 4.562 130 HA LYS 20 HA LYS 20 -6.954 -4.974 2.844 131 HB2 LYS 20 1HB LYS 20 -6.716 -5.344 5.288 132 HB3 LYS 20 2HB LYS 20 -7.271 -3.704 5.599 133 HG2 LYS 20 1HG LYS 20 -9.018 -5.344 6.030 134 HG3 LYS 20 2HG LYS 20 -9.497 -4.250 4.741 135 HD2 LYS 20 1HD LYS 20 -8.934 -6.022 3.048 136 HD3 LYS 20 2HD LYS 20 -8.391 -7.072 4.359 137 HE2 LYS 20 1HE LYS 20 -10.586 -7.779 3.743 138 HE3 LYS 20 2HE LYS 20 -10.701 -7.010 5.329 139 HZ1 LYS 20 3HZ LYS 20 -11.388 -5.698 2.745 140 HZ2 LYS 20 1HZ LYS 20 -11.546 -5.008 4.219 141 HZ3 LYS 20 2HZ LYS 20 -12.474 -6.285 3.813 142 H SER 21 H SER 21 -6.294 -1.621 3.275 143 HA SER 21 HA SER 21 -8.598 -0.894 1.556 144 HB2 SER 21 1HB SER 21 -9.481 -0.553 3.786 145 HB3 SER 21 2HB SER 21 -8.040 0.360 4.267 146 HG SER 21 HG SER 21 -9.933 1.636 3.623 147 H LYS 22 H LYS 22 -8.308 0.904 0.324 148 HA LYS 22 HA LYS 22 -5.689 1.925 -0.282 149 HB2 LYS 22 1HB LYS 22 -6.925 3.645 -1.602 150 HB3 LYS 22 2HB LYS 22 -7.317 1.988 -2.011 151 HG2 LYS 22 1HG LYS 22 -9.435 2.124 -0.756 152 HG3 LYS 22 2HG LYS 22 -9.038 3.771 -0.240 153 HD2 LYS 22 1HD LYS 22 -9.035 4.513 -2.609 154 HD3 LYS 22 2HD LYS 22 -9.429 2.857 -3.124 155 HE2 LYS 22 1HE LYS 22 -11.531 2.951 -1.798 156 HE3 LYS 22 2HE LYS 22 -11.137 4.596 -1.282 157 HZ1 LYS 22 3HZ LYS 22 -11.247 5.284 -3.620 158 HZ2 LYS 22 1HZ LYS 22 -12.659 4.604 -3.171 159 HZ3 LYS 22 2HZ LYS 22 -11.613 3.764 -4.097 160 H GLY 23 H GLY 23 -8.108 2.989 2.063 161 HA2 GLY 23 1HA GLY 23 -6.900 5.576 2.623 162 HA3 GLY 23 2HA GLY 23 -8.023 4.689 3.656 163 H THR 24 H THR 24 -6.593 2.311 4.133 164 HA THR 24 HA THR 24 -4.637 3.026 6.094 165 HB THR 24 HB THR 24 -4.927 0.320 4.737 166 HG1 THR 24 1HG THR 24 -6.382 -0.067 6.500 167 HG21 THR 24 3HG2 THR 24 -4.080 1.106 7.563 168 HG22 THR 24 1HG2 THR 24 -2.980 0.571 6.277 169 HG23 THR 24 2HG2 THR 24 -4.191 -0.550 6.915 170 H LEU 25 H LEU 25 -4.278 1.777 2.734 171 HA LEU 25 HA LEU 25 -1.431 1.796 2.664 172 HB2 LEU 25 1HB LEU 25 -2.743 0.603 1.032 173 HB3 LEU 25 2HB LEU 25 -3.594 2.070 0.564 174 HG LEU 25 HG LEU 25 -1.484 3.006 -0.377 175 HD11 LEU 25 1HD1 LEU 25 0.451 1.514 -0.728 176 HD12 LEU 25 2HD1 LEU 25 -0.341 0.241 0.204 177 HD13 LEU 25 3HD1 LEU 25 0.171 1.746 0.997 178 HD21 LEU 25 3HD2 LEU 25 -3.102 1.759 -1.757 179 HD22 LEU 25 1HD2 LEU 25 -2.185 0.263 -1.442 180 HD23 LEU 25 2HD2 LEU 25 -1.441 1.586 -2.351 181 H LYS 26 H LYS 26 -3.776 4.441 1.820 182 HA LYS 26 HA LYS 26 -1.858 6.354 0.993 183 HB2 LYS 26 1HB LYS 26 -4.292 6.613 0.710 184 HB3 LYS 26 2HB LYS 26 -4.510 6.743 2.459 185 HG2 LYS 26 1HG LYS 26 -3.132 8.838 2.458 186 HG3 LYS 26 2HG LYS 26 -2.940 8.671 0.710 187 HD2 LYS 26 1HD LYS 26 -4.677 10.273 1.075 188 HD3 LYS 26 2HD LYS 26 -5.473 8.796 0.505 189 HE2 LYS 26 1HE LYS 26 -6.065 8.209 2.845 190 HE3 LYS 26 2HE LYS 26 -5.212 9.642 3.430 191 HZ1 LYS 26 3HZ LYS 26 -6.807 11.016 2.201 192 HZ2 LYS 26 1HZ LYS 26 -7.600 10.047 3.244 193 HZ3 LYS 26 2HZ LYS 26 -7.596 9.693 1.651 194 H SER 27 H SER 27 -3.153 5.823 4.303 195 HA SER 27 HA SER 27 -1.477 7.649 5.676 196 HB2 SER 27 1HB SER 27 -2.693 5.034 6.628 197 HB3 SER 27 2HB SER 27 -1.955 6.259 7.679 198 HG SER 27 HG SER 27 -4.238 6.521 7.500 199 H HIS 28 H HIS 28 -0.583 4.583 4.278 200 HA HIS 28 HA HIS 28 1.989 4.455 5.750 201 HB2 HIS 28 1HB HIS 28 0.889 2.357 5.341 202 HB3 HIS 28 2HB HIS 28 0.706 2.708 3.625 203 HD1 HIS 28 1HD HIS 28 3.544 1.915 6.126 204 HD2 HIS 28 2HD HIS 28 2.666 2.108 2.019 205 HE1 HIS 28 1HE HIS 28 5.577 0.963 4.940 206 H LYS 29 H LYS 29 0.826 5.168 2.406 207 HA LYS 29 HA LYS 29 3.424 5.672 1.288 208 HB2 LYS 29 1HB LYS 29 0.648 6.607 0.477 209 HB3 LYS 29 2HB LYS 29 2.117 6.937 -0.458 210 HG2 LYS 29 1HG LYS 29 2.537 4.400 -0.457 211 HG3 LYS 29 2HG LYS 29 0.884 4.221 0.140 212 HD2 LYS 29 1HD LYS 29 0.069 5.496 -1.881 213 HD3 LYS 29 2HD LYS 29 1.749 5.570 -2.448 214 HE2 LYS 29 1HE LYS 29 1.730 2.971 -2.188 215 HE3 LYS 29 2HE LYS 29 -0.029 3.143 -2.095 216 HZ1 LYS 29 3HZ LYS 29 1.754 3.788 -4.362 217 HZ2 LYS 29 1HZ LYS 29 0.203 4.364 -4.311 218 HZ3 LYS 29 2HZ LYS 29 0.504 2.755 -4.354 219 H LEU 30 H LEU 30 1.280 7.827 3.086 220 HA LEU 30 HA LEU 30 2.720 10.260 2.748 221 HB2 LEU 30 1HB LEU 30 1.116 9.104 5.055 222 HB3 LEU 30 2HB LEU 30 1.786 10.731 5.104 223 HG LEU 30 HG LEU 30 -0.155 9.796 2.946 224 HD11 LEU 30 1HD1 LEU 30 -1.157 9.784 5.202 225 HD12 LEU 30 2HD1 LEU 30 -1.831 11.078 4.195 226 HD13 LEU 30 3HD1 LEU 30 -0.625 11.458 5.453 227 HD21 LEU 30 3HD2 LEU 30 -0.441 12.233 2.565 228 HD22 LEU 30 1HD2 LEU 30 1.200 11.694 2.201 229 HD23 LEU 30 2HD2 LEU 30 0.873 12.557 3.719 230 H LEU 31 H LEU 31 3.616 7.437 4.621 231 HA LEU 31 HA LEU 31 5.698 8.791 6.167 232 HB2 LEU 31 1HB LEU 31 5.384 5.814 5.673 233 HB3 LEU 31 2HB LEU 31 6.296 6.590 6.953 234 HG LEU 31 HG LEU 31 3.261 6.645 6.674 235 HD11 LEU 31 1HD1 LEU 31 3.276 5.171 8.626 236 HD12 LEU 31 2HD1 LEU 31 5.056 5.168 8.637 237 HD13 LEU 31 3HD1 LEU 31 4.166 4.436 7.282 238 HD21 LEU 31 3HD2 LEU 31 4.054 8.679 7.809 239 HD22 LEU 31 1HD2 LEU 31 5.059 7.697 8.901 240 HD23 LEU 31 2HD2 LEU 31 3.284 7.587 8.965 241 H HIS 32 H HIS 32 5.594 7.386 2.959 242 HA HIS 32 HA HIS 32 8.515 7.049 2.749 243 HB2 HIS 32 1HB HIS 32 6.205 6.756 0.804 244 HB3 HIS 32 2HB HIS 32 7.885 6.678 0.298 245 HD1 HIS 32 1HD HIS 32 9.394 4.656 1.470 246 HD2 HIS 32 2HD HIS 32 5.202 4.447 1.596 247 HE1 HIS 32 1HE HIS 32 8.838 2.216 1.867 248 H THR 33 H THR 33 6.103 9.477 1.726 249 HA THR 33 HA THR 33 7.997 10.946 0.081 250 HB THR 33 HB THR 33 5.684 10.992 -0.514 251 HG1 THR 33 1HG THR 33 5.573 13.140 -0.898 252 HG21 THR 33 3HG2 THR 33 5.166 12.518 2.077 253 HG22 THR 33 1HG2 THR 33 4.576 10.889 1.669 254 HG23 THR 33 2HG2 THR 33 4.010 12.285 0.746 255 H ALA 34 H ALA 34 8.817 13.020 0.377 256 HA ALA 34 HA ALA 34 9.586 13.736 3.135 257 HB1 ALA 34 1HB ALA 34 10.355 14.926 0.437 258 HB2 ALA 34 2HB ALA 34 11.089 15.317 2.007 259 HB3 ALA 34 3HB ALA 34 11.272 13.688 1.330 260 H ASP 35 H ASP 35 6.948 14.469 1.112 261 HA ASP 35 HA ASP 35 6.619 17.273 1.657 262 HB2 ASP 35 1HB ASP 35 5.598 16.095 -0.255 263 HB3 ASP 35 2HB ASP 35 4.591 15.159 0.853 264 H GLY 36 H GLY 36 5.392 18.370 3.143 265 HA2 GLY 36 1HA GLY 36 3.617 17.283 5.104 266 HA3 GLY 36 2HA GLY 36 5.225 17.441 5.811 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -8.953 -8.671 -25.964 2 H2 GLY 1 2H GLY 1 -10.456 -9.137 -25.505 3 H3 GLY 1 3H GLY 1 -9.168 -10.092 -25.177 4 HA2 GLY 1 1HA GLY 1 -8.247 -8.457 -23.678 5 HA3 GLY 1 2HA GLY 1 -9.633 -7.412 -24.036 6 H SER 2 H SER 2 -9.030 -8.100 -21.446 7 HA SER 2 HA SER 2 -11.275 -9.897 -20.618 8 HB2 SER 2 1HB SER 2 -8.470 -9.873 -19.441 9 HB3 SER 2 2HB SER 2 -9.855 -10.794 -18.823 10 HG SER 2 HG SER 2 -8.490 -12.061 -20.180 11 H SER 3 H SER 3 -12.221 -9.450 -18.601 12 HA SER 3 HA SER 3 -12.195 -6.620 -17.870 13 HB2 SER 3 1HB SER 3 -14.199 -7.256 -16.546 14 HB3 SER 3 2HB SER 3 -14.298 -7.691 -18.261 15 HG SER 3 HG SER 3 -14.984 -9.404 -16.874 16 H GLY 4 H GLY 4 -10.480 -9.271 -16.632 17 HA2 GLY 4 1HA GLY 4 -9.043 -9.395 -14.802 18 HA3 GLY 4 2HA GLY 4 -9.524 -7.770 -14.335 19 H SER 5 H SER 5 -9.702 -8.251 -12.149 20 HA SER 5 HA SER 5 -12.154 -9.662 -11.281 21 HB2 SER 5 1HB SER 5 -10.419 -11.400 -11.203 22 HB3 SER 5 2HB SER 5 -9.383 -10.348 -10.220 23 HG SER 5 HG SER 5 -10.676 -11.923 -9.031 24 H SER 6 H SER 6 -12.944 -8.993 -9.303 25 HA SER 6 HA SER 6 -11.982 -6.422 -8.216 26 HB2 SER 6 1HB SER 6 -14.364 -8.136 -7.423 27 HB3 SER 6 2HB SER 6 -14.022 -6.486 -6.868 28 HG SER 6 HG SER 6 -15.515 -6.530 -8.622 29 H GLY 7 H GLY 7 -11.252 -9.666 -7.585 30 HA2 GLY 7 1HA GLY 7 -11.104 -9.659 -4.694 31 HA3 GLY 7 2HA GLY 7 -10.446 -10.869 -5.794 32 H LYS 8 H LYS 8 -9.721 -7.393 -5.411 33 HA LYS 8 HA LYS 8 -6.808 -7.933 -5.561 34 HB2 LYS 8 1HB LYS 8 -8.428 -5.361 -5.769 35 HB3 LYS 8 2HB LYS 8 -6.673 -5.469 -5.945 36 HG2 LYS 8 1HG LYS 8 -6.930 -6.955 -7.907 37 HG3 LYS 8 2HG LYS 8 -8.681 -6.931 -7.716 38 HD2 LYS 8 1HD LYS 8 -8.098 -5.412 -9.491 39 HD3 LYS 8 2HD LYS 8 -8.746 -4.511 -8.127 40 HE2 LYS 8 1HE LYS 8 -6.907 -3.264 -9.003 41 HE3 LYS 8 2HE LYS 8 -6.409 -3.904 -7.438 42 HZ1 LYS 8 3HZ LYS 8 -5.678 -5.070 -10.078 43 HZ2 LYS 8 1HZ LYS 8 -5.184 -5.657 -8.635 44 HZ3 LYS 8 2HZ LYS 8 -4.683 -4.189 -9.135 45 H THR 9 H THR 9 -5.306 -6.749 -4.302 46 HA THR 9 HA THR 9 -6.143 -5.955 -1.536 47 HB THR 9 HB THR 9 -3.545 -7.366 -2.266 48 HG1 THR 9 1HG THR 9 -4.457 -9.137 -1.229 49 HG21 THR 9 3HG2 THR 9 -4.813 -6.680 0.427 50 HG22 THR 9 1HG2 THR 9 -3.322 -5.983 -0.249 51 HG23 THR 9 2HG2 THR 9 -3.367 -7.689 0.200 52 H HIS 10 H HIS 10 -5.111 -4.078 -0.728 53 HA HIS 10 HA HIS 10 -4.025 -2.281 -2.774 54 HB2 HIS 10 1HB HIS 10 -4.563 -1.928 0.198 55 HB3 HIS 10 2HB HIS 10 -3.960 -0.670 -0.858 56 HD1 HIS 10 1HD HIS 10 -5.683 0.317 -2.707 57 HD2 HIS 10 2HD HIS 10 -7.186 -2.595 -0.067 58 HE1 HIS 10 1HE HIS 10 -8.216 0.392 -2.931 59 H LEU 11 H LEU 11 -1.892 -1.691 -3.056 60 HA LEU 11 HA LEU 11 0.175 -3.040 -1.372 61 HB2 LEU 11 1HB LEU 11 -0.283 -4.523 -3.145 62 HB3 LEU 11 2HB LEU 11 -0.366 -3.222 -4.338 63 HG LEU 11 HG LEU 11 2.105 -2.888 -4.118 64 HD11 LEU 11 1HD1 LEU 11 2.439 -3.870 -1.846 65 HD12 LEU 11 2HD1 LEU 11 3.447 -4.655 -3.064 66 HD13 LEU 11 3HD1 LEU 11 1.979 -5.461 -2.484 67 HD21 LEU 11 3HD2 LEU 11 2.698 -4.935 -5.350 68 HD22 LEU 11 1HD2 LEU 11 1.136 -4.297 -5.890 69 HD23 LEU 11 2HD2 LEU 11 1.190 -5.709 -4.811 70 H CYS 12 H CYS 12 1.906 -1.949 -0.921 71 HA CYS 12 HA CYS 12 2.450 0.750 -1.926 72 HB2 CYS 12 1HB CYS 12 2.826 0.016 0.436 73 HB3 CYS 12 2HB CYS 12 4.047 -1.126 -0.142 74 H ASP 13 H ASP 13 3.398 1.020 -3.897 75 HA ASP 13 HA ASP 13 5.003 -1.081 -5.152 76 HB2 ASP 13 1HB ASP 13 5.110 0.434 -7.049 77 HB3 ASP 13 2HB ASP 13 3.461 0.218 -6.485 78 H MET 14 H MET 14 5.795 1.006 -2.733 79 HA MET 14 HA MET 14 8.528 1.674 -3.732 80 HB2 MET 14 1HB MET 14 6.846 2.706 -1.433 81 HB3 MET 14 2HB MET 14 8.521 3.191 -1.733 82 HG2 MET 14 1HG MET 14 7.911 3.930 -3.999 83 HG3 MET 14 2HG MET 14 6.220 3.537 -3.703 84 HE1 MET 14 3HE MET 14 4.871 6.269 -1.445 85 HE2 MET 14 1HE MET 14 4.506 5.136 -2.762 86 HE3 MET 14 2HE MET 14 5.158 4.525 -1.226 87 H CYS 15 H CYS 15 6.931 -0.034 -1.068 88 HA CYS 15 HA CYS 15 9.529 -1.376 -0.479 89 HB2 CYS 15 1HB CYS 15 9.146 -1.371 1.871 90 HB3 CYS 15 2HB CYS 15 9.176 0.275 1.252 91 H GLY 16 H GLY 16 6.293 -1.850 -1.366 92 HA2 GLY 16 1HA GLY 16 5.503 -3.893 -2.194 93 HA3 GLY 16 2HA GLY 16 6.788 -4.747 -1.363 94 H LYS 17 H LYS 17 5.199 -2.788 0.890 95 HA LYS 17 HA LYS 17 3.907 -5.025 2.219 96 HB2 LYS 17 1HB LYS 17 3.927 -2.024 2.763 97 HB3 LYS 17 2HB LYS 17 3.114 -3.204 3.797 98 HG2 LYS 17 1HG LYS 17 5.275 -4.411 4.120 99 HG3 LYS 17 2HG LYS 17 6.096 -3.184 3.138 100 HD2 LYS 17 1HD LYS 17 5.416 -1.435 4.776 101 HD3 LYS 17 2HD LYS 17 4.633 -2.688 5.769 102 HE2 LYS 17 1HE LYS 17 6.828 -3.875 5.944 103 HE3 LYS 17 2HE LYS 17 7.589 -2.590 5.000 104 HZ1 LYS 17 3HZ LYS 17 7.895 -2.254 7.387 105 HZ2 LYS 17 1HZ LYS 17 6.286 -2.212 7.647 106 HZ3 LYS 17 2HZ LYS 17 7.010 -1.028 6.778 107 H LYS 18 H LYS 18 1.856 -5.539 2.533 108 HA LYS 18 HA LYS 18 -0.166 -4.424 0.647 109 HB2 LYS 18 1HB LYS 18 0.345 -7.186 1.753 110 HB3 LYS 18 2HB LYS 18 -1.250 -6.743 1.146 111 HG2 LYS 18 1HG LYS 18 -0.411 -6.221 -1.048 112 HG3 LYS 18 2HG LYS 18 1.270 -6.356 -0.509 113 HD2 LYS 18 1HD LYS 18 0.943 -8.756 -0.022 114 HD3 LYS 18 2HD LYS 18 -0.744 -8.643 -0.577 115 HE2 LYS 18 1HE LYS 18 0.048 -7.937 -2.826 116 HE3 LYS 18 2HE LYS 18 1.725 -8.028 -2.271 117 HZ1 LYS 18 3HZ LYS 18 1.076 -10.049 -3.451 118 HZ2 LYS 18 1HZ LYS 18 -0.145 -10.337 -2.410 119 HZ3 LYS 18 2HZ LYS 18 1.405 -10.416 -1.897 120 H PHE 19 H PHE 19 -2.189 -3.997 1.215 121 HA PHE 19 HA PHE 19 -2.903 -3.711 4.098 122 HB2 PHE 19 1HB PHE 19 -2.949 -1.567 1.938 123 HB3 PHE 19 2HB PHE 19 -3.542 -1.354 3.572 124 HD1 PHE 19 2HD PHE 19 -1.884 -1.598 5.534 125 HD2 PHE 19 1HD PHE 19 -0.614 -1.357 1.426 126 HE1 PHE 19 2HE PHE 19 0.408 -1.000 6.279 127 HE2 PHE 19 1HE PHE 19 1.676 -0.772 2.170 128 HZ PHE 19 HZ PHE 19 2.195 -0.598 4.596 129 H LYS 20 H LYS 20 -5.118 -3.419 4.555 130 HA LYS 20 HA LYS 20 -6.890 -4.849 2.697 131 HB2 LYS 20 1HB LYS 20 -8.386 -5.068 4.571 132 HB3 LYS 20 2HB LYS 20 -6.746 -5.512 5.034 133 HG2 LYS 20 1HG LYS 20 -6.455 -3.332 6.186 134 HG3 LYS 20 2HG LYS 20 -8.049 -2.812 5.631 135 HD2 LYS 20 1HD LYS 20 -8.202 -3.486 7.936 136 HD3 LYS 20 2HD LYS 20 -9.111 -4.630 6.937 137 HE2 LYS 20 1HE LYS 20 -7.210 -6.232 7.041 138 HE3 LYS 20 2HE LYS 20 -6.280 -5.071 8.001 139 HZ1 LYS 20 3HZ LYS 20 -7.370 -6.723 9.410 140 HZ2 LYS 20 1HZ LYS 20 -8.846 -6.316 8.845 141 HZ3 LYS 20 2HZ LYS 20 -7.985 -5.248 9.736 142 H SER 21 H SER 21 -6.311 -1.564 3.116 143 HA SER 21 HA SER 21 -8.746 -0.835 1.617 144 HB2 SER 21 1HB SER 21 -9.496 -0.643 3.935 145 HB3 SER 21 2HB SER 21 -8.086 0.349 4.342 146 HG SER 21 HG SER 21 -10.069 1.536 3.881 147 H LYS 22 H LYS 22 -8.607 1.142 0.555 148 HA LYS 22 HA LYS 22 -6.024 2.071 -0.283 149 HB2 LYS 22 1HB LYS 22 -8.428 2.247 -1.403 150 HB3 LYS 22 2HB LYS 22 -8.521 3.768 -0.505 151 HG2 LYS 22 1HG LYS 22 -6.309 4.419 -1.575 152 HG3 LYS 22 2HG LYS 22 -6.416 2.966 -2.568 153 HD2 LYS 22 1HD LYS 22 -8.433 5.259 -2.526 154 HD3 LYS 22 2HD LYS 22 -7.177 5.012 -3.745 155 HE2 LYS 22 1HE LYS 22 -8.204 2.829 -4.364 156 HE3 LYS 22 2HE LYS 22 -9.482 3.094 -3.170 157 HZ1 LYS 22 3HZ LYS 22 -10.145 5.081 -4.418 158 HZ2 LYS 22 1HZ LYS 22 -10.195 3.770 -5.387 159 HZ3 LYS 22 2HZ LYS 22 -8.967 4.833 -5.524 160 H GLY 23 H GLY 23 -8.250 3.209 2.237 161 HA2 GLY 23 1HA GLY 23 -6.893 5.668 2.898 162 HA3 GLY 23 2HA GLY 23 -7.981 4.746 3.946 163 H THR 24 H THR 24 -6.524 2.300 4.092 164 HA THR 24 HA THR 24 -4.487 2.889 6.037 165 HB THR 24 HB THR 24 -4.926 0.245 4.605 166 HG1 THR 24 1HG THR 24 -6.302 -0.151 6.439 167 HG21 THR 24 3HG2 THR 24 -3.958 0.900 7.427 168 HG22 THR 24 1HG2 THR 24 -2.906 0.425 6.082 169 HG23 THR 24 2HG2 THR 24 -4.105 -0.721 6.703 170 H LEU 25 H LEU 25 -4.302 1.735 2.608 171 HA LEU 25 HA LEU 25 -1.455 1.714 2.433 172 HB2 LEU 25 1HB LEU 25 -2.828 0.610 0.796 173 HB3 LEU 25 2HB LEU 25 -3.703 2.093 0.435 174 HG LEU 25 HG LEU 25 -1.597 3.075 -0.533 175 HD11 LEU 25 1HD1 LEU 25 0.270 1.535 -1.066 176 HD12 LEU 25 2HD1 LEU 25 -0.517 0.253 -0.134 177 HD13 LEU 25 3HD1 LEU 25 0.080 1.715 0.681 178 HD21 LEU 25 3HD2 LEU 25 -2.320 0.430 -1.806 179 HD22 LEU 25 1HD2 LEU 25 -1.688 1.881 -2.596 180 HD23 LEU 25 2HD2 LEU 25 -3.323 1.900 -1.901 181 H LYS 26 H LYS 26 -3.801 4.387 1.786 182 HA LYS 26 HA LYS 26 -1.879 6.350 1.024 183 HB2 LYS 26 1HB LYS 26 -4.286 6.562 0.642 184 HB3 LYS 26 2HB LYS 26 -4.594 6.658 2.381 185 HG2 LYS 26 1HG LYS 26 -3.270 8.730 2.538 186 HG3 LYS 26 2HG LYS 26 -2.879 8.645 0.822 187 HD2 LYS 26 1HD LYS 26 -5.669 8.940 2.022 188 HD3 LYS 26 2HD LYS 26 -4.711 10.270 1.381 189 HE2 LYS 26 1HE LYS 26 -5.707 7.888 -0.255 190 HE3 LYS 26 2HE LYS 26 -6.515 9.451 -0.151 191 HZ1 LYS 26 3HZ LYS 26 -4.533 10.487 -1.113 192 HZ2 LYS 26 1HZ LYS 26 -5.127 9.352 -2.118 193 HZ3 LYS 26 2HZ LYS 26 -3.783 9.038 -1.248 194 H SER 27 H SER 27 -3.216 5.637 4.260 195 HA SER 27 HA SER 27 -1.681 7.501 5.756 196 HB2 SER 27 1HB SER 27 -2.685 4.757 6.608 197 HB3 SER 27 2HB SER 27 -2.113 6.038 7.688 198 HG SER 27 HG SER 27 -4.405 6.042 6.006 199 H HIS 28 H HIS 28 -0.698 4.446 4.350 200 HA HIS 28 HA HIS 28 1.888 4.383 5.778 201 HB2 HIS 28 1HB HIS 28 0.882 2.262 5.339 202 HB3 HIS 28 2HB HIS 28 0.622 2.641 3.640 203 HD1 HIS 28 1HD HIS 28 3.584 1.949 6.028 204 HD2 HIS 28 2HD HIS 28 2.573 2.180 1.953 205 HE1 HIS 28 1HE HIS 28 5.645 1.185 4.762 206 H LYS 29 H LYS 29 0.743 5.090 2.427 207 HA LYS 29 HA LYS 29 3.336 5.614 1.348 208 HB2 LYS 29 1HB LYS 29 0.520 6.345 0.485 209 HB3 LYS 29 2HB LYS 29 1.941 6.939 -0.388 210 HG2 LYS 29 1HG LYS 29 2.764 4.581 -0.591 211 HG3 LYS 29 2HG LYS 29 1.232 4.010 0.080 212 HD2 LYS 29 1HD LYS 29 -0.007 4.841 -1.813 213 HD3 LYS 29 2HD LYS 29 1.363 5.834 -2.357 214 HE2 LYS 29 1HE LYS 29 2.703 3.749 -2.700 215 HE3 LYS 29 2HE LYS 29 1.271 2.788 -2.333 216 HZ1 LYS 29 3HZ LYS 29 0.220 3.627 -4.304 217 HZ2 LYS 29 1HZ LYS 29 1.768 3.255 -4.750 218 HZ3 LYS 29 2HZ LYS 29 1.345 4.803 -4.516 219 H LEU 30 H LEU 30 1.249 7.776 3.173 220 HA LEU 30 HA LEU 30 2.662 10.212 2.752 221 HB2 LEU 30 1HB LEU 30 1.236 9.038 5.170 222 HB3 LEU 30 2HB LEU 30 1.897 10.668 5.174 223 HG LEU 30 HG LEU 30 -0.191 9.730 3.162 224 HD11 LEU 30 1HD1 LEU 30 -1.038 9.687 5.484 225 HD12 LEU 30 2HD1 LEU 30 -1.792 10.979 4.535 226 HD13 LEU 30 3HD1 LEU 30 -0.510 11.366 5.710 227 HD21 LEU 30 3HD2 LEU 30 -0.527 12.164 2.821 228 HD22 LEU 30 1HD2 LEU 30 1.093 11.647 2.345 229 HD23 LEU 30 2HD2 LEU 30 0.855 12.495 3.890 230 H LEU 31 H LEU 31 3.674 7.379 4.575 231 HA LEU 31 HA LEU 31 5.815 8.728 6.026 232 HB2 LEU 31 1HB LEU 31 5.463 5.755 5.520 233 HB3 LEU 31 2HB LEU 31 6.440 6.509 6.764 234 HG LEU 31 HG LEU 31 3.391 6.608 6.630 235 HD11 LEU 31 1HD1 LEU 31 3.479 5.109 8.559 236 HD12 LEU 31 2HD1 LEU 31 5.257 5.075 8.479 237 HD13 LEU 31 3HD1 LEU 31 4.286 4.379 7.162 238 HD21 LEU 31 3HD2 LEU 31 4.271 8.614 7.751 239 HD22 LEU 31 1HD2 LEU 31 5.314 7.602 8.778 240 HD23 LEU 31 2HD2 LEU 31 3.543 7.517 8.928 241 H HIS 32 H HIS 32 5.584 7.520 2.786 242 HA HIS 32 HA HIS 32 8.511 7.221 2.446 243 HB2 HIS 32 1HB HIS 32 6.134 6.811 0.605 244 HB3 HIS 32 2HB HIS 32 7.796 6.734 0.050 245 HD1 HIS 32 1HD HIS 32 9.368 4.783 1.362 246 HD2 HIS 32 2HD HIS 32 5.185 4.480 1.297 247 HE1 HIS 32 1HE HIS 32 8.850 2.330 1.743 248 H THR 33 H THR 33 6.559 9.908 2.611 249 HA THR 33 HA THR 33 8.247 11.471 0.714 250 HB THR 33 HB THR 33 6.148 10.816 -0.407 251 HG1 THR 33 1HG THR 33 5.741 12.871 -1.153 252 HG21 THR 33 3HG2 THR 33 4.572 10.841 1.490 253 HG22 THR 33 1HG2 THR 33 4.032 11.901 0.183 254 HG23 THR 33 2HG2 THR 33 4.763 12.602 1.644 255 H ALA 34 H ALA 34 7.898 13.858 0.975 256 HA ALA 34 HA ALA 34 7.263 14.820 3.668 257 HB1 ALA 34 1HB ALA 34 9.576 13.967 3.954 258 HB2 ALA 34 2HB ALA 34 10.117 14.962 2.584 259 HB3 ALA 34 3HB ALA 34 9.528 15.733 4.073 260 H ASP 35 H ASP 35 7.302 17.157 3.821 261 HA ASP 35 HA ASP 35 6.414 18.469 1.380 262 HB2 ASP 35 1HB ASP 35 6.814 19.475 4.223 263 HB3 ASP 35 2HB ASP 35 6.089 20.417 2.923 264 H GLY 36 H GLY 36 9.510 18.188 2.830 265 HA2 GLY 36 1HA GLY 36 11.597 18.991 2.200 266 HA3 GLY 36 2HA GLY 36 10.843 19.834 0.847 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 7.507 -16.817 -12.010 2 H2 GLY 1 2H GLY 1 7.672 -17.898 -10.790 3 H3 GLY 1 3H GLY 1 8.796 -16.725 -11.004 4 HA2 GLY 1 1HA GLY 1 5.986 -16.294 -10.211 5 HA3 GLY 1 2HA GLY 1 7.392 -16.171 -9.136 6 H SER 2 H SER 2 6.989 -14.003 -8.637 7 HA SER 2 HA SER 2 7.030 -11.746 -8.808 8 HB2 SER 2 1HB SER 2 9.272 -12.331 -10.762 9 HB3 SER 2 2HB SER 2 9.041 -10.840 -9.827 10 HG SER 2 HG SER 2 10.528 -12.277 -8.819 11 H SER 3 H SER 3 5.000 -12.744 -10.512 12 HA SER 3 HA SER 3 4.842 -10.658 -12.651 13 HB2 SER 3 1HB SER 3 4.137 -13.604 -12.963 14 HB3 SER 3 2HB SER 3 3.863 -12.335 -14.164 15 HG SER 3 HG SER 3 6.364 -13.269 -13.163 16 H GLY 4 H GLY 4 2.736 -10.086 -13.326 17 HA2 GLY 4 1HA GLY 4 0.445 -9.772 -13.182 18 HA3 GLY 4 2HA GLY 4 0.327 -11.117 -12.057 19 H SER 5 H SER 5 -1.335 -9.413 -11.347 20 HA SER 5 HA SER 5 -0.335 -7.985 -8.967 21 HB2 SER 5 1HB SER 5 -1.474 -5.894 -9.572 22 HB3 SER 5 2HB SER 5 -0.186 -6.283 -10.719 23 HG SER 5 HG SER 5 -2.103 -5.622 -11.788 24 H SER 6 H SER 6 -2.156 -7.157 -7.612 25 HA SER 6 HA SER 6 -4.481 -9.032 -7.683 26 HB2 SER 6 1HB SER 6 -3.113 -9.182 -5.686 27 HB3 SER 6 2HB SER 6 -3.334 -7.448 -5.369 28 HG SER 6 HG SER 6 -4.825 -9.237 -4.420 29 H GLY 7 H GLY 7 -6.493 -8.358 -7.862 30 HA2 GLY 7 1HA GLY 7 -7.176 -5.462 -8.022 31 HA3 GLY 7 2HA GLY 7 -8.190 -6.824 -8.504 32 H LYS 8 H LYS 8 -6.976 -7.754 -5.575 33 HA LYS 8 HA LYS 8 -9.336 -6.681 -4.063 34 HB2 LYS 8 1HB LYS 8 -9.675 -8.902 -3.132 35 HB3 LYS 8 2HB LYS 8 -9.779 -8.919 -4.893 36 HG2 LYS 8 1HG LYS 8 -7.512 -9.867 -5.041 37 HG3 LYS 8 2HG LYS 8 -7.373 -9.831 -3.268 38 HD2 LYS 8 1HD LYS 8 -9.307 -11.364 -3.075 39 HD3 LYS 8 2HD LYS 8 -9.494 -11.365 -4.848 40 HE2 LYS 8 1HE LYS 8 -7.198 -12.241 -5.083 41 HE3 LYS 8 2HE LYS 8 -7.019 -12.257 -3.321 42 HZ1 LYS 8 3HZ LYS 8 -7.638 -14.458 -4.168 43 HZ2 LYS 8 1HZ LYS 8 -8.999 -13.873 -4.848 44 HZ3 LYS 8 2HZ LYS 8 -8.837 -13.887 -3.221 45 H THR 9 H THR 9 -5.981 -6.842 -3.941 46 HA THR 9 HA THR 9 -6.051 -6.053 -1.051 47 HB THR 9 HB THR 9 -3.656 -7.401 -2.345 48 HG1 THR 9 1HG THR 9 -5.394 -8.868 -2.198 49 HG21 THR 9 3HG2 THR 9 -3.049 -7.807 0.043 50 HG22 THR 9 1HG2 THR 9 -4.432 -6.815 0.548 51 HG23 THR 9 2HG2 THR 9 -3.093 -6.086 -0.368 52 H HIS 10 H HIS 10 -4.952 -4.182 -0.530 53 HA HIS 10 HA HIS 10 -4.096 -2.476 -2.795 54 HB2 HIS 10 1HB HIS 10 -4.512 -1.855 0.150 55 HB3 HIS 10 2HB HIS 10 -4.113 -0.688 -1.102 56 HD1 HIS 10 1HD HIS 10 -6.104 0.057 -2.744 57 HD2 HIS 10 2HD HIS 10 -7.052 -2.900 0.094 58 HE1 HIS 10 1HE HIS 10 -8.649 -0.120 -2.717 59 H LEU 11 H LEU 11 -1.965 -1.768 -3.088 60 HA LEU 11 HA LEU 11 0.126 -3.080 -1.396 61 HB2 LEU 11 1HB LEU 11 -0.323 -4.535 -3.201 62 HB3 LEU 11 2HB LEU 11 -0.381 -3.209 -4.369 63 HG LEU 11 HG LEU 11 2.088 -2.874 -4.073 64 HD11 LEU 11 1HD1 LEU 11 1.913 -5.507 -2.542 65 HD12 LEU 11 2HD1 LEU 11 2.369 -3.943 -1.838 66 HD13 LEU 11 3HD1 LEU 11 3.401 -4.691 -3.058 67 HD21 LEU 11 3HD2 LEU 11 2.709 -4.865 -5.371 68 HD22 LEU 11 1HD2 LEU 11 1.168 -4.191 -5.923 69 HD23 LEU 11 2HD2 LEU 11 1.180 -5.653 -4.906 70 H CYS 12 H CYS 12 1.856 -1.997 -0.927 71 HA CYS 12 HA CYS 12 2.385 0.736 -1.794 72 HB2 CYS 12 1HB CYS 12 2.869 -0.123 0.482 73 HB3 CYS 12 2HB CYS 12 4.017 -1.277 -0.208 74 H ASP 13 H ASP 13 3.326 1.216 -3.682 75 HA ASP 13 HA ASP 13 4.811 -0.762 -5.265 76 HB2 ASP 13 1HB ASP 13 3.202 0.874 -6.226 77 HB3 ASP 13 2HB ASP 13 4.282 2.189 -5.755 78 H MET 14 H MET 14 5.680 1.083 -2.641 79 HA MET 14 HA MET 14 8.366 1.893 -3.653 80 HB2 MET 14 1HB MET 14 6.860 2.752 -1.170 81 HB3 MET 14 2HB MET 14 8.359 3.429 -1.782 82 HG2 MET 14 1HG MET 14 7.168 4.144 -3.848 83 HG3 MET 14 2HG MET 14 5.658 3.523 -3.166 84 HE1 MET 14 3HE MET 14 4.895 7.261 -2.912 85 HE2 MET 14 1HE MET 14 5.655 6.336 -4.233 86 HE3 MET 14 2HE MET 14 4.292 5.639 -3.322 87 H CYS 15 H CYS 15 6.860 0.060 -0.997 88 HA CYS 15 HA CYS 15 9.472 -1.273 -0.543 89 HB2 CYS 15 1HB CYS 15 9.284 -1.278 1.805 90 HB3 CYS 15 2HB CYS 15 9.259 0.367 1.199 91 H GLY 16 H GLY 16 6.356 -1.754 -1.493 92 HA2 GLY 16 1HA GLY 16 5.516 -3.772 -2.288 93 HA3 GLY 16 2HA GLY 16 6.827 -4.626 -1.495 94 H LYS 17 H LYS 17 5.096 -2.739 0.755 95 HA LYS 17 HA LYS 17 3.956 -5.088 2.066 96 HB2 LYS 17 1HB LYS 17 3.865 -2.116 2.732 97 HB3 LYS 17 2HB LYS 17 3.230 -3.393 3.777 98 HG2 LYS 17 1HG LYS 17 5.477 -4.410 3.956 99 HG3 LYS 17 2HG LYS 17 6.123 -3.193 2.841 100 HD2 LYS 17 1HD LYS 17 5.462 -1.402 4.469 101 HD3 LYS 17 2HD LYS 17 4.949 -2.656 5.599 102 HE2 LYS 17 1HE LYS 17 7.185 -1.819 6.153 103 HE3 LYS 17 2HE LYS 17 7.241 -3.533 5.735 104 HZ1 LYS 17 3HZ LYS 17 8.164 -2.989 3.614 105 HZ2 LYS 17 1HZ LYS 17 9.016 -2.098 4.689 106 HZ3 LYS 17 2HZ LYS 17 7.852 -1.402 3.748 107 H LYS 18 H LYS 18 1.897 -5.612 2.474 108 HA LYS 18 HA LYS 18 -0.170 -4.531 0.612 109 HB2 LYS 18 1HB LYS 18 0.414 -7.258 1.753 110 HB3 LYS 18 2HB LYS 18 -1.224 -6.856 1.250 111 HG2 LYS 18 1HG LYS 18 -0.545 -6.365 -1.010 112 HG3 LYS 18 2HG LYS 18 1.169 -6.444 -0.582 113 HD2 LYS 18 1HD LYS 18 0.944 -8.846 -0.036 114 HD3 LYS 18 2HD LYS 18 -0.779 -8.789 -0.473 115 HE2 LYS 18 1HE LYS 18 -0.167 -8.104 -2.783 116 HE3 LYS 18 2HE LYS 18 1.546 -8.136 -2.344 117 HZ1 LYS 18 3HZ LYS 18 0.879 -10.201 -3.439 118 HZ2 LYS 18 1HZ LYS 18 -0.258 -10.502 -2.308 119 HZ3 LYS 18 2HZ LYS 18 1.325 -10.524 -1.905 120 H PHE 19 H PHE 19 -2.156 -4.003 1.225 121 HA PHE 19 HA PHE 19 -2.801 -3.708 4.123 122 HB2 PHE 19 1HB PHE 19 -2.867 -1.575 1.953 123 HB3 PHE 19 2HB PHE 19 -3.459 -1.354 3.590 124 HD1 PHE 19 2HD PHE 19 -1.827 -1.567 5.555 125 HD2 PHE 19 1HD PHE 19 -0.516 -1.418 1.453 126 HE1 PHE 19 2HE PHE 19 0.471 -1.009 6.310 127 HE2 PHE 19 1HE PHE 19 1.777 -0.872 2.210 128 HZ PHE 19 HZ PHE 19 2.281 -0.679 4.638 129 H LYS 20 H LYS 20 -4.951 -3.333 4.663 130 HA LYS 20 HA LYS 20 -6.848 -4.870 3.089 131 HB2 LYS 20 1HB LYS 20 -8.248 -4.756 5.030 132 HB3 LYS 20 2HB LYS 20 -6.591 -5.084 5.535 133 HG2 LYS 20 1HG LYS 20 -6.340 -2.611 6.075 134 HG3 LYS 20 2HG LYS 20 -8.054 -2.402 5.726 135 HD2 LYS 20 1HD LYS 20 -6.837 -4.188 7.875 136 HD3 LYS 20 2HD LYS 20 -7.590 -2.623 8.151 137 HE2 LYS 20 1HE LYS 20 -9.025 -5.097 7.070 138 HE3 LYS 20 2HE LYS 20 -9.020 -4.584 8.756 139 HZ1 LYS 20 3HZ LYS 20 -10.107 -2.510 8.075 140 HZ2 LYS 20 1HZ LYS 20 -11.007 -3.799 7.649 141 HZ3 LYS 20 2HZ LYS 20 -10.155 -3.000 6.514 142 H SER 21 H SER 21 -6.234 -1.507 3.175 143 HA SER 21 HA SER 21 -8.586 -0.945 1.487 144 HB2 SER 21 1HB SER 21 -9.506 -0.570 3.701 145 HB3 SER 21 2HB SER 21 -8.121 0.433 4.156 146 HG SER 21 HG SER 21 -10.077 1.577 3.453 147 H LYS 22 H LYS 22 -8.401 0.949 0.289 148 HA LYS 22 HA LYS 22 -5.799 2.011 -0.364 149 HB2 LYS 22 1HB LYS 22 -7.105 3.753 -1.605 150 HB3 LYS 22 2HB LYS 22 -7.453 2.095 -2.063 151 HG2 LYS 22 1HG LYS 22 -9.554 2.124 -0.775 152 HG3 LYS 22 2HG LYS 22 -9.199 3.764 -0.207 153 HD2 LYS 22 1HD LYS 22 -9.261 4.590 -2.546 154 HD3 LYS 22 2HD LYS 22 -9.606 2.942 -3.116 155 HE2 LYS 22 1HE LYS 22 -11.687 2.911 -1.752 156 HE3 LYS 22 2HE LYS 22 -11.344 4.552 -1.188 157 HZ1 LYS 22 3HZ LYS 22 -12.898 4.564 -3.054 158 HZ2 LYS 22 1HZ LYS 22 -11.836 3.794 -4.022 159 HZ3 LYS 22 2HZ LYS 22 -11.519 5.310 -3.501 160 H GLY 23 H GLY 23 -8.197 2.974 2.034 161 HA2 GLY 23 1HA GLY 23 -7.030 5.540 2.720 162 HA3 GLY 23 2HA GLY 23 -8.088 4.544 3.731 163 H THR 24 H THR 24 -6.635 2.219 4.071 164 HA THR 24 HA THR 24 -4.636 2.838 6.007 165 HB THR 24 HB THR 24 -4.883 0.217 4.491 166 HG1 THR 24 1HG THR 24 -6.364 1.069 6.752 167 HG21 THR 24 3HG2 THR 24 -2.985 0.391 6.082 168 HG22 THR 24 1HG2 THR 24 -4.199 -0.783 6.623 169 HG23 THR 24 2HG2 THR 24 -4.114 0.827 7.378 170 H LEU 25 H LEU 25 -4.314 1.746 2.579 171 HA LEU 25 HA LEU 25 -1.464 1.800 2.509 172 HB2 LEU 25 1HB LEU 25 -2.739 0.608 0.856 173 HB3 LEU 25 2HB LEU 25 -3.631 2.057 0.412 174 HG LEU 25 HG LEU 25 -1.536 3.066 -0.508 175 HD11 LEU 25 1HD1 LEU 25 0.143 1.812 0.845 176 HD12 LEU 25 2HD1 LEU 25 0.437 1.646 -0.883 177 HD13 LEU 25 3HD1 LEU 25 -0.324 0.317 0.008 178 HD21 LEU 25 3HD2 LEU 25 -1.453 1.696 -2.505 179 HD22 LEU 25 1HD2 LEU 25 -3.123 1.821 -1.915 180 HD23 LEU 25 2HD2 LEU 25 -2.180 0.335 -1.635 181 H LYS 26 H LYS 26 -3.856 4.442 1.797 182 HA LYS 26 HA LYS 26 -1.928 6.361 0.963 183 HB2 LYS 26 1HB LYS 26 -4.330 6.635 0.634 184 HB3 LYS 26 2HB LYS 26 -4.594 6.787 2.380 185 HG2 LYS 26 1HG LYS 26 -3.215 8.825 2.445 186 HG3 LYS 26 2HG LYS 26 -2.855 8.669 0.723 187 HD2 LYS 26 1HD LYS 26 -5.632 9.097 1.922 188 HD3 LYS 26 2HD LYS 26 -4.599 10.372 1.257 189 HE2 LYS 26 1HE LYS 26 -4.618 9.219 -0.959 190 HE3 LYS 26 2HE LYS 26 -5.715 7.997 -0.302 191 HZ1 LYS 26 3HZ LYS 26 -6.322 10.901 -0.500 192 HZ2 LYS 26 1HZ LYS 26 -7.335 9.775 0.114 193 HZ3 LYS 26 2HZ LYS 26 -6.936 9.742 -1.468 194 H SER 27 H SER 27 -3.222 5.784 4.264 195 HA SER 27 HA SER 27 -1.553 7.601 5.658 196 HB2 SER 27 1HB SER 27 -2.706 4.939 6.560 197 HB3 SER 27 2HB SER 27 -1.973 6.149 7.633 198 HG SER 27 HG SER 27 -4.262 6.371 7.505 199 H HIS 28 H HIS 28 -0.685 4.513 4.247 200 HA HIS 28 HA HIS 28 1.915 4.398 5.649 201 HB2 HIS 28 1HB HIS 28 0.826 2.302 5.253 202 HB3 HIS 28 2HB HIS 28 0.611 2.650 3.539 203 HD1 HIS 28 1HD HIS 28 3.471 1.856 6.009 204 HD2 HIS 28 2HD HIS 28 2.616 2.181 1.903 205 HE1 HIS 28 1HE HIS 28 5.548 1.034 4.805 206 H LYS 29 H LYS 29 0.749 5.097 2.301 207 HA LYS 29 HA LYS 29 3.310 5.544 1.127 208 HB2 LYS 29 1HB LYS 29 0.511 6.503 0.446 209 HB3 LYS 29 2HB LYS 29 1.922 7.004 -0.492 210 HG2 LYS 29 1HG LYS 29 2.513 4.660 -0.953 211 HG3 LYS 29 2HG LYS 29 1.096 4.103 -0.044 212 HD2 LYS 29 1HD LYS 29 -0.417 5.183 -1.624 213 HD3 LYS 29 2HD LYS 29 0.942 5.976 -2.440 214 HE2 LYS 29 1HE LYS 29 1.849 3.757 -3.096 215 HE3 LYS 29 2HE LYS 29 0.446 2.977 -2.360 216 HZ1 LYS 29 3HZ LYS 29 0.115 3.283 -4.742 217 HZ2 LYS 29 1HZ LYS 29 0.343 4.893 -4.630 218 HZ3 LYS 29 2HZ LYS 29 -0.969 4.206 -3.942 219 H LEU 30 H LEU 30 1.298 7.775 2.991 220 HA LEU 30 HA LEU 30 2.808 10.155 2.599 221 HB2 LEU 30 1HB LEU 30 1.219 9.073 4.958 222 HB3 LEU 30 2HB LEU 30 1.918 10.689 4.959 223 HG LEU 30 HG LEU 30 -0.070 9.745 2.847 224 HD11 LEU 30 1HD1 LEU 30 -1.723 11.060 4.099 225 HD12 LEU 30 2HD1 LEU 30 -0.507 11.428 5.347 226 HD13 LEU 30 3HD1 LEU 30 -1.064 9.760 5.105 227 HD21 LEU 30 3HD2 LEU 30 0.984 12.506 3.589 228 HD22 LEU 30 1HD2 LEU 30 -0.335 12.178 2.438 229 HD23 LEU 30 2HD2 LEU 30 1.303 11.622 2.078 230 H LEU 31 H LEU 31 3.645 7.330 4.516 231 HA LEU 31 HA LEU 31 5.703 8.639 6.101 232 HB2 LEU 31 1HB LEU 31 5.402 5.677 5.500 233 HB3 LEU 31 2HB LEU 31 6.304 6.404 6.818 234 HG LEU 31 HG LEU 31 3.271 6.495 6.509 235 HD11 LEU 31 1HD1 LEU 31 3.251 4.947 8.402 236 HD12 LEU 31 2HD1 LEU 31 5.030 4.928 8.435 237 HD13 LEU 31 3HD1 LEU 31 4.152 4.256 7.042 238 HD21 LEU 31 3HD2 LEU 31 5.057 7.446 8.792 239 HD22 LEU 31 1HD2 LEU 31 3.280 7.347 8.834 240 HD23 LEU 31 2HD2 LEU 31 4.069 8.476 7.728 241 H HIS 32 H HIS 32 5.685 7.459 2.834 242 HA HIS 32 HA HIS 32 8.617 7.168 2.668 243 HB2 HIS 32 1HB HIS 32 6.372 6.882 0.645 244 HB3 HIS 32 2HB HIS 32 8.072 6.727 0.236 245 HD1 HIS 32 1HD HIS 32 9.414 4.702 1.733 246 HD2 HIS 32 2HD HIS 32 5.271 4.570 1.076 247 HE1 HIS 32 1HE HIS 32 8.760 2.264 1.969 248 H THR 33 H THR 33 6.718 9.885 2.810 249 HA THR 33 HA THR 33 8.565 11.488 1.115 250 HB THR 33 HB THR 33 6.598 10.876 -0.242 251 HG1 THR 33 1HG THR 33 6.263 12.951 -0.963 252 HG21 THR 33 3HG2 THR 33 4.427 11.944 0.157 253 HG22 THR 33 1HG2 THR 33 4.995 12.582 1.715 254 HG23 THR 33 2HG2 THR 33 4.827 10.828 1.469 255 H ALA 34 H ALA 34 8.144 13.883 1.409 256 HA ALA 34 HA ALA 34 7.181 14.736 4.036 257 HB1 ALA 34 1HB ALA 34 9.345 15.726 4.719 258 HB2 ALA 34 2HB ALA 34 9.465 13.962 4.583 259 HB3 ALA 34 3HB ALA 34 10.134 15.000 3.302 260 H ASP 35 H ASP 35 6.917 16.998 4.207 261 HA ASP 35 HA ASP 35 6.636 18.435 1.661 262 HB2 ASP 35 1HB ASP 35 5.406 20.054 2.909 263 HB3 ASP 35 2HB ASP 35 4.835 18.449 3.340 264 H GLY 36 H GLY 36 7.384 20.614 1.341 265 HA2 GLY 36 1HA GLY 36 9.295 22.035 2.843 266 HA3 GLY 36 2HA GLY 36 10.205 20.981 1.759 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 11.848 -17.513 -8.002 2 H2 GLY 1 2H GLY 1 13.005 -16.442 -7.556 3 H3 GLY 1 3H GLY 1 12.150 -16.200 -8.934 4 HA2 GLY 1 1HA GLY 1 11.037 -16.138 -6.204 5 HA3 GLY 1 2HA GLY 1 11.384 -14.712 -7.198 6 H SER 2 H SER 2 8.819 -15.744 -6.049 7 HA SER 2 HA SER 2 7.156 -16.797 -8.125 8 HB2 SER 2 1HB SER 2 6.371 -15.228 -5.641 9 HB3 SER 2 2HB SER 2 5.299 -16.238 -6.630 10 HG SER 2 HG SER 2 6.096 -17.357 -4.779 11 H SER 3 H SER 3 5.501 -15.845 -9.345 12 HA SER 3 HA SER 3 5.959 -13.127 -10.308 13 HB2 SER 3 1HB SER 3 5.227 -15.072 -11.733 14 HB3 SER 3 2HB SER 3 3.636 -14.971 -10.952 15 HG SER 3 HG SER 3 3.778 -13.767 -12.931 16 H GLY 4 H GLY 4 4.269 -11.474 -10.394 17 HA2 GLY 4 1HA GLY 4 3.276 -10.803 -7.779 18 HA3 GLY 4 2HA GLY 4 2.969 -9.916 -9.267 19 H SER 5 H SER 5 1.305 -10.955 -6.865 20 HA SER 5 HA SER 5 -1.149 -11.482 -8.383 21 HB2 SER 5 1HB SER 5 -0.139 -13.754 -8.012 22 HB3 SER 5 2HB SER 5 -0.224 -13.465 -6.264 23 HG SER 5 HG SER 5 -2.055 -14.619 -7.113 24 H SER 6 H SER 6 -3.057 -11.160 -7.108 25 HA SER 6 HA SER 6 -2.832 -10.152 -4.354 26 HB2 SER 6 1HB SER 6 -2.255 -8.173 -5.716 27 HB3 SER 6 2HB SER 6 -3.779 -8.340 -6.611 28 HG SER 6 HG SER 6 -3.832 -6.841 -4.809 29 H GLY 7 H GLY 7 -4.672 -10.398 -3.216 30 HA2 GLY 7 1HA GLY 7 -7.081 -11.612 -4.458 31 HA3 GLY 7 2HA GLY 7 -6.705 -11.505 -2.735 32 H LYS 8 H LYS 8 -6.896 -9.082 -5.363 33 HA LYS 8 HA LYS 8 -7.666 -6.958 -5.453 34 HB2 LYS 8 1HB LYS 8 -9.843 -8.357 -5.304 35 HB3 LYS 8 2HB LYS 8 -10.007 -7.682 -3.681 36 HG2 LYS 8 1HG LYS 8 -9.853 -5.365 -4.725 37 HG3 LYS 8 2HG LYS 8 -9.827 -6.134 -6.312 38 HD2 LYS 8 1HD LYS 8 -12.077 -6.360 -4.261 39 HD3 LYS 8 2HD LYS 8 -12.066 -5.281 -5.663 40 HE2 LYS 8 1HE LYS 8 -11.911 -7.254 -7.178 41 HE3 LYS 8 2HE LYS 8 -11.971 -8.330 -5.777 42 HZ1 LYS 8 3HZ LYS 8 -14.167 -8.056 -6.767 43 HZ2 LYS 8 1HZ LYS 8 -14.126 -6.440 -6.560 44 HZ3 LYS 8 2HZ LYS 8 -14.177 -7.431 -5.260 45 H THR 9 H THR 9 -5.737 -7.574 -3.527 46 HA THR 9 HA THR 9 -6.190 -5.963 -1.114 47 HB THR 9 HB THR 9 -3.574 -7.233 -1.982 48 HG1 THR 9 1HG THR 9 -4.303 -9.074 -0.793 49 HG21 THR 9 3HG2 THR 9 -4.861 -6.690 0.730 50 HG22 THR 9 1HG2 THR 9 -3.427 -5.892 0.042 51 HG23 THR 9 2HG2 THR 9 -3.357 -7.600 0.490 52 H HIS 10 H HIS 10 -5.001 -4.051 -0.590 53 HA HIS 10 HA HIS 10 -4.042 -2.469 -2.903 54 HB2 HIS 10 1HB HIS 10 -4.518 -1.780 0.019 55 HB3 HIS 10 2HB HIS 10 -3.839 -0.672 -1.159 56 HD1 HIS 10 1HD HIS 10 -5.498 0.363 -2.978 57 HD2 HIS 10 2HD HIS 10 -7.174 -2.461 -0.349 58 HE1 HIS 10 1HE HIS 10 -8.018 0.511 -3.291 59 H LEU 11 H LEU 11 -1.894 -1.720 -3.120 60 HA LEU 11 HA LEU 11 0.169 -3.110 -1.469 61 HB2 LEU 11 1HB LEU 11 -0.274 -4.530 -3.315 62 HB3 LEU 11 2HB LEU 11 -0.276 -3.183 -4.459 63 HG LEU 11 HG LEU 11 2.184 -2.890 -4.096 64 HD11 LEU 11 1HD1 LEU 11 3.457 -4.695 -3.029 65 HD12 LEU 11 2HD1 LEU 11 1.957 -5.516 -2.563 66 HD13 LEU 11 3HD1 LEU 11 2.385 -3.950 -1.844 67 HD21 LEU 11 3HD2 LEU 11 1.298 -5.677 -4.937 68 HD22 LEU 11 1HD2 LEU 11 2.835 -4.885 -5.366 69 HD23 LEU 11 2HD2 LEU 11 1.305 -4.226 -5.966 70 H CYS 12 H CYS 12 1.877 -2.026 -0.964 71 HA CYS 12 HA CYS 12 2.411 0.714 -1.834 72 HB2 CYS 12 1HB CYS 12 2.753 -0.161 0.487 73 HB3 CYS 12 2HB CYS 12 4.008 -1.236 -0.135 74 H ASP 13 H ASP 13 3.346 1.085 -3.788 75 HA ASP 13 HA ASP 13 5.132 -0.869 -5.055 76 HB2 ASP 13 1HB ASP 13 5.180 0.656 -6.914 77 HB3 ASP 13 2HB ASP 13 3.524 0.371 -6.399 78 H MET 14 H MET 14 5.634 1.251 -2.556 79 HA MET 14 HA MET 14 8.337 2.171 -3.384 80 HB2 MET 14 1HB MET 14 6.857 2.616 -0.794 81 HB3 MET 14 2HB MET 14 8.315 3.417 -1.303 82 HG2 MET 14 1HG MET 14 5.628 3.682 -2.724 83 HG3 MET 14 2HG MET 14 6.166 4.724 -1.420 84 HE1 MET 14 3HE MET 14 5.118 6.063 -3.869 85 HE2 MET 14 1HE MET 14 5.863 6.872 -2.473 86 HE3 MET 14 2HE MET 14 6.361 7.312 -4.127 87 H CYS 15 H CYS 15 6.816 0.088 -0.883 88 HA CYS 15 HA CYS 15 9.460 -1.155 -0.350 89 HB2 CYS 15 1HB CYS 15 9.179 -1.157 1.968 90 HB3 CYS 15 2HB CYS 15 9.054 0.483 1.359 91 H GLY 16 H GLY 16 6.332 -1.775 -1.357 92 HA2 GLY 16 1HA GLY 16 5.645 -3.827 -2.211 93 HA3 GLY 16 2HA GLY 16 6.937 -4.629 -1.334 94 H LYS 17 H LYS 17 5.099 -2.765 0.816 95 HA LYS 17 HA LYS 17 3.915 -5.120 2.085 96 HB2 LYS 17 1HB LYS 17 3.826 -2.153 2.766 97 HB3 LYS 17 2HB LYS 17 3.154 -3.430 3.785 98 HG2 LYS 17 1HG LYS 17 5.395 -4.461 4.018 99 HG3 LYS 17 2HG LYS 17 6.071 -3.237 2.930 100 HD2 LYS 17 1HD LYS 17 5.340 -1.459 4.562 101 HD3 LYS 17 2HD LYS 17 4.846 -2.739 5.672 102 HE2 LYS 17 1HE LYS 17 7.058 -1.858 6.255 103 HE3 LYS 17 2HE LYS 17 7.159 -3.564 5.814 104 HZ1 LYS 17 3HZ LYS 17 8.093 -2.976 3.716 105 HZ2 LYS 17 1HZ LYS 17 8.903 -2.060 4.801 106 HZ3 LYS 17 2HZ LYS 17 7.725 -1.402 3.851 107 H LYS 18 H LYS 18 1.862 -5.687 2.366 108 HA LYS 18 HA LYS 18 -0.163 -4.510 0.537 109 HB2 LYS 18 1HB LYS 18 0.354 -7.259 1.649 110 HB3 LYS 18 2HB LYS 18 -1.284 -6.811 1.188 111 HG2 LYS 18 1HG LYS 18 -0.619 -6.273 -1.076 112 HG3 LYS 18 2HG LYS 18 1.097 -6.479 -0.678 113 HD2 LYS 18 1HD LYS 18 0.794 -8.846 -0.262 114 HD3 LYS 18 2HD LYS 18 -0.967 -8.709 -0.470 115 HE2 LYS 18 1HE LYS 18 -0.667 -8.023 -2.820 116 HE3 LYS 18 2HE LYS 18 1.091 -8.091 -2.643 117 HZ1 LYS 18 3HZ LYS 18 -0.687 -10.444 -2.279 118 HZ2 LYS 18 1HZ LYS 18 0.947 -10.463 -2.301 119 HZ3 LYS 18 2HZ LYS 18 0.105 -10.118 -3.667 120 H PHE 19 H PHE 19 -2.134 -3.930 1.110 121 HA PHE 19 HA PHE 19 -2.859 -3.663 3.993 122 HB2 PHE 19 1HB PHE 19 -2.837 -1.498 1.854 123 HB3 PHE 19 2HB PHE 19 -3.484 -1.294 3.472 124 HD1 PHE 19 2HD PHE 19 -1.921 -1.589 5.490 125 HD2 PHE 19 1HD PHE 19 -0.474 -1.324 1.439 126 HE1 PHE 19 2HE PHE 19 0.357 -1.088 6.337 127 HE2 PHE 19 1HE PHE 19 1.801 -0.850 2.289 128 HZ PHE 19 HZ PHE 19 2.229 -0.734 4.736 129 H LYS 20 H LYS 20 -5.049 -3.407 4.483 130 HA LYS 20 HA LYS 20 -6.822 -4.894 2.746 131 HB2 LYS 20 1HB LYS 20 -6.682 -5.112 5.227 132 HB3 LYS 20 2HB LYS 20 -7.330 -3.484 5.401 133 HG2 LYS 20 1HG LYS 20 -9.023 -5.151 5.846 134 HG3 LYS 20 2HG LYS 20 -9.480 -4.205 4.435 135 HD2 LYS 20 1HD LYS 20 -8.730 -6.043 2.942 136 HD3 LYS 20 2HD LYS 20 -8.214 -6.994 4.339 137 HE2 LYS 20 1HE LYS 20 -11.071 -6.045 3.813 138 HE3 LYS 20 2HE LYS 20 -10.445 -7.623 3.334 139 HZ1 LYS 20 3HZ LYS 20 -10.640 -6.662 6.137 140 HZ2 LYS 20 1HZ LYS 20 -10.022 -8.109 5.686 141 HZ3 LYS 20 2HZ LYS 20 -11.599 -7.780 5.442 142 H SER 21 H SER 21 -6.349 -1.484 3.177 143 HA SER 21 HA SER 21 -8.608 -0.861 1.347 144 HB2 SER 21 1HB SER 21 -9.540 -0.657 3.601 145 HB3 SER 21 2HB SER 21 -8.208 0.409 4.082 146 HG SER 21 HG SER 21 -10.193 1.496 3.436 147 H LYS 22 H LYS 22 -8.456 1.130 0.297 148 HA LYS 22 HA LYS 22 -5.852 2.081 -0.418 149 HB2 LYS 22 1HB LYS 22 -8.217 2.250 -1.636 150 HB3 LYS 22 2HB LYS 22 -8.344 3.771 -0.749 151 HG2 LYS 22 1HG LYS 22 -6.176 4.503 -1.759 152 HG3 LYS 22 2HG LYS 22 -6.083 2.974 -2.645 153 HD2 LYS 22 1HD LYS 22 -8.203 3.520 -3.818 154 HD3 LYS 22 2HD LYS 22 -8.300 5.055 -2.925 155 HE2 LYS 22 1HE LYS 22 -6.126 5.757 -3.906 156 HE3 LYS 22 2HE LYS 22 -6.029 4.232 -4.794 157 HZ1 LYS 22 3HZ LYS 22 -6.918 6.013 -6.186 158 HZ2 LYS 22 1HZ LYS 22 -8.152 6.283 -5.157 159 HZ3 LYS 22 2HZ LYS 22 -8.064 4.873 -5.979 160 H GLY 23 H GLY 23 -8.190 3.221 1.997 161 HA2 GLY 23 1HA GLY 23 -6.857 5.676 2.710 162 HA3 GLY 23 2HA GLY 23 -7.997 4.770 3.711 163 H THR 24 H THR 24 -6.497 2.304 3.872 164 HA THR 24 HA THR 24 -4.571 2.897 5.937 165 HB THR 24 HB THR 24 -4.900 0.267 4.454 166 HG1 THR 24 1HG THR 24 -6.364 -0.178 6.208 167 HG21 THR 24 3HG2 THR 24 -4.176 -0.711 6.584 168 HG22 THR 24 1HG2 THR 24 -4.082 0.906 7.324 169 HG23 THR 24 2HG2 THR 24 -2.962 0.451 6.025 170 H LEU 25 H LEU 25 -4.220 1.759 2.518 171 HA LEU 25 HA LEU 25 -1.373 1.770 2.439 172 HB2 LEU 25 1HB LEU 25 -2.690 0.685 0.736 173 HB3 LEU 25 2HB LEU 25 -3.552 2.174 0.368 174 HG LEU 25 HG LEU 25 -1.441 3.179 -0.520 175 HD11 LEU 25 1HD1 LEU 25 0.226 1.861 0.743 176 HD12 LEU 25 2HD1 LEU 25 0.471 1.680 -0.998 177 HD13 LEU 25 3HD1 LEU 25 -0.316 0.380 -0.080 178 HD21 LEU 25 3HD2 LEU 25 -3.084 2.001 -1.959 179 HD22 LEU 25 1HD2 LEU 25 -2.093 0.524 -1.811 180 HD23 LEU 25 2HD2 LEU 25 -1.421 1.970 -2.585 181 H LYS 26 H LYS 26 -3.717 4.413 1.711 182 HA LYS 26 HA LYS 26 -1.837 6.445 1.069 183 HB2 LYS 26 1HB LYS 26 -4.239 6.657 0.653 184 HB3 LYS 26 2HB LYS 26 -4.588 6.573 2.380 185 HG2 LYS 26 1HG LYS 26 -3.352 8.707 2.742 186 HG3 LYS 26 2HG LYS 26 -2.975 8.768 1.019 187 HD2 LYS 26 1HD LYS 26 -4.835 10.259 1.456 188 HD3 LYS 26 2HD LYS 26 -5.399 8.900 0.492 189 HE2 LYS 26 1HE LYS 26 -7.068 9.392 2.139 190 HE3 LYS 26 2HE LYS 26 -6.347 7.837 2.542 191 HZ1 LYS 26 3HZ LYS 26 -5.029 8.969 4.262 192 HZ2 LYS 26 1HZ LYS 26 -6.610 9.284 4.494 193 HZ3 LYS 26 2HZ LYS 26 -5.651 10.425 3.840 194 H SER 27 H SER 27 -3.240 5.630 4.262 195 HA SER 27 HA SER 27 -1.773 7.555 5.771 196 HB2 SER 27 1HB SER 27 -2.868 4.861 6.672 197 HB3 SER 27 2HB SER 27 -2.356 6.191 7.727 198 HG SER 27 HG SER 27 -4.548 6.086 5.930 199 H HIS 28 H HIS 28 -0.787 4.437 4.527 200 HA HIS 28 HA HIS 28 1.715 4.312 6.076 201 HB2 HIS 28 1HB HIS 28 0.732 2.225 5.503 202 HB3 HIS 28 2HB HIS 28 0.517 2.679 3.819 203 HD1 HIS 28 1HD HIS 28 3.415 1.802 6.224 204 HD2 HIS 28 2HD HIS 28 2.464 2.201 2.148 205 HE1 HIS 28 1HE HIS 28 5.444 0.955 4.956 206 H LYS 29 H LYS 29 0.791 5.188 2.703 207 HA LYS 29 HA LYS 29 3.445 5.660 1.786 208 HB2 LYS 29 1HB LYS 29 0.691 6.445 0.816 209 HB3 LYS 29 2HB LYS 29 2.126 7.151 0.056 210 HG2 LYS 29 1HG LYS 29 3.061 4.907 -0.350 211 HG3 LYS 29 2HG LYS 29 1.610 4.156 0.335 212 HD2 LYS 29 1HD LYS 29 0.233 4.977 -1.463 213 HD3 LYS 29 2HD LYS 29 1.498 6.101 -2.007 214 HE2 LYS 29 1HE LYS 29 2.985 4.178 -2.526 215 HE3 LYS 29 2HE LYS 29 1.697 3.058 -2.083 216 HZ1 LYS 29 3HZ LYS 29 1.456 5.088 -4.242 217 HZ2 LYS 29 1HZ LYS 29 0.393 3.876 -3.934 218 HZ3 LYS 29 2HZ LYS 29 1.908 3.547 -4.498 219 H LEU 30 H LEU 30 1.528 7.747 3.767 220 HA LEU 30 HA LEU 30 2.926 10.200 3.436 221 HB2 LEU 30 1HB LEU 30 1.763 8.866 5.913 222 HB3 LEU 30 2HB LEU 30 2.306 10.541 5.873 223 HG LEU 30 HG LEU 30 0.098 9.454 4.078 224 HD11 LEU 30 1HD1 LEU 30 -0.127 11.072 6.637 225 HD12 LEU 30 2HD1 LEU 30 -0.491 9.341 6.476 226 HD13 LEU 30 3HD1 LEU 30 -1.464 10.529 5.588 227 HD21 LEU 30 3HD2 LEU 30 1.153 11.464 3.154 228 HD22 LEU 30 1HD2 LEU 30 0.980 12.297 4.715 229 HD23 LEU 30 2HD2 LEU 30 -0.458 11.845 3.769 230 H LEU 31 H LEU 31 4.066 7.209 4.844 231 HA LEU 31 HA LEU 31 6.414 8.367 6.152 232 HB2 LEU 31 1HB LEU 31 5.812 5.488 5.383 233 HB3 LEU 31 2HB LEU 31 7.066 6.027 6.486 234 HG LEU 31 HG LEU 31 4.065 6.330 6.982 235 HD11 LEU 31 1HD1 LEU 31 4.835 3.993 7.046 236 HD12 LEU 31 2HD1 LEU 31 4.394 4.577 8.660 237 HD13 LEU 31 3HD1 LEU 31 6.109 4.435 8.206 238 HD21 LEU 31 3HD2 LEU 31 6.455 6.891 8.793 239 HD22 LEU 31 1HD2 LEU 31 4.750 6.897 9.296 240 HD23 LEU 31 2HD2 LEU 31 5.324 8.098 8.135 241 H HIS 32 H HIS 32 5.686 7.538 2.870 242 HA HIS 32 HA HIS 32 8.570 7.342 2.114 243 HB2 HIS 32 1HB HIS 32 6.055 6.725 0.528 244 HB3 HIS 32 2HB HIS 32 7.705 6.553 -0.053 245 HD1 HIS 32 1HD HIS 32 9.213 4.751 1.738 246 HD2 HIS 32 2HD HIS 32 5.082 4.434 1.093 247 HE1 HIS 32 1HE HIS 32 8.621 2.330 2.235 248 H THR 33 H THR 33 5.672 9.386 1.644 249 HA THR 33 HA THR 33 6.733 10.915 -0.537 250 HB THR 33 HB THR 33 4.939 12.577 0.081 251 HG1 THR 33 1HG THR 33 4.844 12.042 2.314 252 HG21 THR 33 3HG2 THR 33 4.066 9.669 -0.204 253 HG22 THR 33 1HG2 THR 33 4.505 10.769 -1.528 254 HG23 THR 33 2HG2 THR 33 3.074 11.104 -0.540 255 H ALA 34 H ALA 34 7.797 12.829 -0.690 256 HA ALA 34 HA ALA 34 9.404 13.652 1.593 257 HB1 ALA 34 1HB ALA 34 10.536 15.047 -0.081 258 HB2 ALA 34 2HB ALA 34 10.323 13.391 -0.678 259 HB3 ALA 34 3HB ALA 34 9.262 14.694 -1.267 260 H ASP 35 H ASP 35 6.413 14.785 0.287 261 HA ASP 35 HA ASP 35 5.116 16.594 0.552 262 HB2 ASP 35 1HB ASP 35 5.151 15.550 2.815 263 HB3 ASP 35 2HB ASP 35 6.351 16.741 3.315 264 H GLY 36 H GLY 36 7.480 17.214 -0.820 265 HA2 GLY 36 1HA GLY 36 7.326 20.001 -1.156 266 HA3 GLY 36 2HA GLY 36 8.683 19.713 -0.065 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -17.291 -10.938 -14.933 2 H2 GLY 1 2H GLY 1 -16.082 -10.047 -14.275 3 H3 GLY 1 3H GLY 1 -16.624 -11.388 -13.506 4 HA2 GLY 1 1HA GLY 1 -15.814 -12.812 -15.265 5 HA3 GLY 1 2HA GLY 1 -15.251 -11.363 -16.119 6 H SER 2 H SER 2 -13.793 -13.761 -15.003 7 HA SER 2 HA SER 2 -12.453 -13.223 -12.616 8 HB2 SER 2 1HB SER 2 -11.413 -14.828 -14.979 9 HB3 SER 2 2HB SER 2 -10.925 -14.996 -13.281 10 HG SER 2 HG SER 2 -12.505 -16.555 -13.887 11 H SER 3 H SER 3 -11.690 -11.838 -15.742 12 HA SER 3 HA SER 3 -8.965 -11.057 -15.132 13 HB2 SER 3 1HB SER 3 -10.876 -9.926 -17.207 14 HB3 SER 3 2HB SER 3 -9.113 -9.768 -17.194 15 HG SER 3 HG SER 3 -8.946 -12.017 -17.491 16 H GLY 4 H GLY 4 -11.911 -9.815 -13.935 17 HA2 GLY 4 1HA GLY 4 -11.389 -6.993 -13.935 18 HA3 GLY 4 2HA GLY 4 -12.537 -7.845 -12.912 19 H SER 5 H SER 5 -10.849 -5.599 -12.219 20 HA SER 5 HA SER 5 -8.742 -6.581 -10.432 21 HB2 SER 5 1HB SER 5 -8.340 -4.164 -10.055 22 HB3 SER 5 2HB SER 5 -8.302 -4.629 -11.763 23 HG SER 5 HG SER 5 -9.533 -2.713 -11.408 24 H SER 6 H SER 6 -12.068 -6.215 -10.026 25 HA SER 6 HA SER 6 -12.375 -4.937 -7.563 26 HB2 SER 6 1HB SER 6 -14.009 -7.267 -8.637 27 HB3 SER 6 2HB SER 6 -14.523 -6.093 -7.410 28 HG SER 6 HG SER 6 -15.290 -5.541 -9.505 29 H GLY 7 H GLY 7 -12.246 -5.465 -5.452 30 HA2 GLY 7 1HA GLY 7 -12.033 -6.669 -3.509 31 HA3 GLY 7 2HA GLY 7 -12.239 -8.159 -4.425 32 H LYS 8 H LYS 8 -9.601 -6.552 -5.791 33 HA LYS 8 HA LYS 8 -7.666 -8.366 -4.573 34 HB2 LYS 8 1HB LYS 8 -7.321 -6.086 -6.560 35 HB3 LYS 8 2HB LYS 8 -6.027 -7.161 -6.023 36 HG2 LYS 8 1HG LYS 8 -7.294 -9.130 -6.894 37 HG3 LYS 8 2HG LYS 8 -8.568 -8.048 -7.461 38 HD2 LYS 8 1HD LYS 8 -7.207 -8.588 -9.341 39 HD3 LYS 8 2HD LYS 8 -6.885 -6.894 -8.930 40 HE2 LYS 8 1HE LYS 8 -4.801 -7.570 -7.760 41 HE3 LYS 8 2HE LYS 8 -5.150 -9.269 -8.101 42 HZ1 LYS 8 3HZ LYS 8 -4.639 -7.188 -10.163 43 HZ2 LYS 8 1HZ LYS 8 -4.962 -8.760 -10.479 44 HZ3 LYS 8 2HZ LYS 8 -3.585 -8.348 -9.709 45 H THR 9 H THR 9 -5.852 -7.896 -3.373 46 HA THR 9 HA THR 9 -6.148 -6.070 -1.226 47 HB THR 9 HB THR 9 -3.505 -7.308 -2.058 48 HG1 THR 9 1HG THR 9 -4.208 -9.184 -1.012 49 HG21 THR 9 3HG2 THR 9 -4.830 -6.779 0.644 50 HG22 THR 9 1HG2 THR 9 -3.397 -5.961 -0.022 51 HG23 THR 9 2HG2 THR 9 -3.313 -7.671 0.419 52 H HIS 10 H HIS 10 -5.035 -4.157 -0.646 53 HA HIS 10 HA HIS 10 -4.084 -2.491 -2.891 54 HB2 HIS 10 1HB HIS 10 -4.453 -1.837 0.056 55 HB3 HIS 10 2HB HIS 10 -4.086 -0.696 -1.226 56 HD1 HIS 10 1HD HIS 10 -6.119 0.067 -2.794 57 HD2 HIS 10 2HD HIS 10 -7.006 -2.835 0.118 58 HE1 HIS 10 1HE HIS 10 -8.663 -0.031 -2.636 59 H LEU 11 H LEU 11 -1.937 -1.612 -3.011 60 HA LEU 11 HA LEU 11 0.142 -3.016 -1.389 61 HB2 LEU 11 1HB LEU 11 -0.288 -4.430 -3.233 62 HB3 LEU 11 2HB LEU 11 -0.365 -3.075 -4.368 63 HG LEU 11 HG LEU 11 2.105 -2.726 -4.066 64 HD11 LEU 11 1HD1 LEU 11 1.942 -5.410 -2.625 65 HD12 LEU 11 2HD1 LEU 11 2.378 -3.866 -1.862 66 HD13 LEU 11 3HD1 LEU 11 3.425 -4.564 -3.103 67 HD21 LEU 11 3HD2 LEU 11 1.194 -3.986 -5.957 68 HD22 LEU 11 1HD2 LEU 11 1.211 -5.481 -4.989 69 HD23 LEU 11 2HD2 LEU 11 2.738 -4.670 -5.426 70 H CYS 12 H CYS 12 1.887 -1.940 -0.910 71 HA CYS 12 HA CYS 12 2.417 0.812 -1.729 72 HB2 CYS 12 1HB CYS 12 2.894 -0.058 0.536 73 HB3 CYS 12 2HB CYS 12 4.015 -1.237 -0.153 74 H ASP 13 H ASP 13 3.459 1.356 -3.553 75 HA ASP 13 HA ASP 13 4.857 -0.637 -5.203 76 HB2 ASP 13 1HB ASP 13 3.287 1.072 -6.109 77 HB3 ASP 13 2HB ASP 13 4.420 2.340 -5.630 78 H MET 14 H MET 14 5.812 1.098 -2.550 79 HA MET 14 HA MET 14 8.542 1.803 -3.555 80 HB2 MET 14 1HB MET 14 6.838 2.814 -1.263 81 HB3 MET 14 2HB MET 14 8.512 3.322 -1.554 82 HG2 MET 14 1HG MET 14 7.919 4.083 -3.799 83 HG3 MET 14 2HG MET 14 6.238 3.627 -3.567 84 HE1 MET 14 3HE MET 14 4.722 6.268 -1.286 85 HE2 MET 14 1HE MET 14 4.422 5.106 -2.596 86 HE3 MET 14 2HE MET 14 5.097 4.544 -1.052 87 H CYS 15 H CYS 15 6.917 0.058 -0.944 88 HA CYS 15 HA CYS 15 9.466 -1.386 -0.465 89 HB2 CYS 15 1HB CYS 15 9.253 -1.419 1.888 90 HB3 CYS 15 2HB CYS 15 9.292 0.240 1.317 91 H GLY 16 H GLY 16 6.340 -1.746 -1.446 92 HA2 GLY 16 1HA GLY 16 5.451 -3.727 -2.273 93 HA3 GLY 16 2HA GLY 16 6.754 -4.623 -1.515 94 H LYS 17 H LYS 17 5.126 -2.764 0.814 95 HA LYS 17 HA LYS 17 3.915 -5.088 2.090 96 HB2 LYS 17 1HB LYS 17 3.857 -2.114 2.759 97 HB3 LYS 17 2HB LYS 17 3.177 -3.379 3.789 98 HG2 LYS 17 1HG LYS 17 5.397 -4.440 4.018 99 HG3 LYS 17 2HG LYS 17 6.092 -3.241 2.914 100 HD2 LYS 17 1HD LYS 17 5.425 -1.432 4.529 101 HD3 LYS 17 2HD LYS 17 4.875 -2.679 5.649 102 HE2 LYS 17 1HE LYS 17 7.110 -1.873 6.244 103 HE3 LYS 17 2HE LYS 17 7.151 -3.587 5.826 104 HZ1 LYS 17 3HZ LYS 17 7.824 -1.467 3.850 105 HZ2 LYS 17 1HZ LYS 17 8.124 -3.057 3.727 106 HZ3 LYS 17 2HZ LYS 17 8.963 -2.171 4.814 107 H LYS 18 H LYS 18 1.846 -5.609 2.423 108 HA LYS 18 HA LYS 18 -0.159 -4.449 0.548 109 HB2 LYS 18 1HB LYS 18 0.354 -7.224 1.608 110 HB3 LYS 18 2HB LYS 18 -1.245 -6.777 1.023 111 HG2 LYS 18 1HG LYS 18 -0.424 -6.200 -1.167 112 HG3 LYS 18 2HG LYS 18 1.260 -6.339 -0.640 113 HD2 LYS 18 1HD LYS 18 0.941 -8.757 -0.214 114 HD3 LYS 18 2HD LYS 18 -0.749 -8.631 -0.758 115 HE2 LYS 18 1HE LYS 18 0.031 -7.861 -2.990 116 HE3 LYS 18 2HE LYS 18 1.711 -7.966 -2.446 117 HZ1 LYS 18 3HZ LYS 18 1.058 -9.954 -3.680 118 HZ2 LYS 18 1HZ LYS 18 -0.159 -10.273 -2.640 119 HZ3 LYS 18 2HZ LYS 18 1.395 -10.364 -2.139 120 H PHE 19 H PHE 19 -2.179 -3.974 1.113 121 HA PHE 19 HA PHE 19 -2.865 -3.724 4.010 122 HB2 PHE 19 1HB PHE 19 -2.922 -1.556 1.876 123 HB3 PHE 19 2HB PHE 19 -3.536 -1.368 3.507 124 HD1 PHE 19 2HD PHE 19 -1.942 -1.554 5.486 125 HD2 PHE 19 1HD PHE 19 -0.559 -1.400 1.409 126 HE1 PHE 19 2HE PHE 19 0.341 -0.985 6.284 127 HE2 PHE 19 1HE PHE 19 1.719 -0.843 2.206 128 HZ PHE 19 HZ PHE 19 2.179 -0.648 4.643 129 H LYS 20 H LYS 20 -5.021 -3.550 4.553 130 HA LYS 20 HA LYS 20 -6.882 -4.887 2.740 131 HB2 LYS 20 1HB LYS 20 -8.323 -5.084 4.653 132 HB3 LYS 20 2HB LYS 20 -6.678 -5.528 5.094 133 HG2 LYS 20 1HG LYS 20 -6.363 -3.290 6.164 134 HG3 LYS 20 2HG LYS 20 -8.024 -2.854 5.720 135 HD2 LYS 20 1HD LYS 20 -8.887 -4.744 7.078 136 HD3 LYS 20 2HD LYS 20 -7.223 -5.182 7.522 137 HE2 LYS 20 1HE LYS 20 -6.917 -2.949 8.570 138 HE3 LYS 20 2HE LYS 20 -8.573 -2.510 8.128 139 HZ1 LYS 20 3HZ LYS 20 -7.832 -4.735 9.957 140 HZ2 LYS 20 1HZ LYS 20 -9.363 -4.330 9.548 141 HZ3 LYS 20 2HZ LYS 20 -8.450 -3.300 10.421 142 H SER 21 H SER 21 -6.211 -1.620 3.125 143 HA SER 21 HA SER 21 -8.620 -0.866 1.608 144 HB2 SER 21 1HB SER 21 -9.413 -0.562 3.878 145 HB3 SER 21 2HB SER 21 -7.959 0.352 4.313 146 HG SER 21 HG SER 21 -9.890 1.619 3.759 147 H LYS 22 H LYS 22 -8.377 0.946 0.387 148 HA LYS 22 HA LYS 22 -5.788 2.017 -0.276 149 HB2 LYS 22 1HB LYS 22 -7.081 3.722 -1.542 150 HB3 LYS 22 2HB LYS 22 -7.475 2.062 -1.952 151 HG2 LYS 22 1HG LYS 22 -9.526 2.220 -0.481 152 HG3 LYS 22 2HG LYS 22 -9.155 3.925 -0.227 153 HD2 LYS 22 1HD LYS 22 -9.765 2.581 -2.896 154 HD3 LYS 22 2HD LYS 22 -10.881 3.572 -1.946 155 HE2 LYS 22 1HE LYS 22 -9.326 5.521 -2.191 156 HE3 LYS 22 2HE LYS 22 -8.274 4.528 -3.213 157 HZ1 LYS 22 3HZ LYS 22 -11.098 5.215 -3.839 158 HZ2 LYS 22 1HZ LYS 22 -10.130 4.295 -4.780 159 HZ3 LYS 22 2HZ LYS 22 -9.787 5.873 -4.551 160 H GLY 23 H GLY 23 -8.169 2.986 2.133 161 HA2 GLY 23 1HA GLY 23 -7.034 5.583 2.759 162 HA3 GLY 23 2HA GLY 23 -8.073 4.592 3.793 163 H THR 24 H THR 24 -6.591 2.293 4.173 164 HA THR 24 HA THR 24 -4.571 2.992 6.063 165 HB THR 24 HB THR 24 -4.886 0.310 4.664 166 HG1 THR 24 1HG THR 24 -6.255 -0.122 6.486 167 HG21 THR 24 3HG2 THR 24 -4.054 -0.596 6.794 168 HG22 THR 24 1HG2 THR 24 -3.921 1.047 7.464 169 HG23 THR 24 2HG2 THR 24 -2.877 0.543 6.122 170 H LEU 25 H LEU 25 -4.290 1.811 2.655 171 HA LEU 25 HA LEU 25 -1.446 1.876 2.541 172 HB2 LEU 25 1HB LEU 25 -2.752 0.692 0.899 173 HB3 LEU 25 2HB LEU 25 -3.635 2.154 0.469 174 HG LEU 25 HG LEU 25 -1.566 3.151 -0.479 175 HD11 LEU 25 1HD1 LEU 25 0.146 1.944 0.863 176 HD12 LEU 25 2HD1 LEU 25 0.418 1.733 -0.864 177 HD13 LEU 25 3HD1 LEU 25 -0.324 0.424 0.077 178 HD21 LEU 25 3HD2 LEU 25 -1.490 1.765 -2.466 179 HD22 LEU 25 1HD2 LEU 25 -3.153 1.863 -1.855 180 HD23 LEU 25 2HD2 LEU 25 -2.175 0.399 -1.572 181 H LYS 26 H LYS 26 -3.849 4.515 1.831 182 HA LYS 26 HA LYS 26 -1.933 6.436 0.986 183 HB2 LYS 26 1HB LYS 26 -4.340 6.711 0.690 184 HB3 LYS 26 2HB LYS 26 -4.581 6.860 2.438 185 HG2 LYS 26 1HG LYS 26 -3.193 8.892 2.492 186 HG3 LYS 26 2HG LYS 26 -2.864 8.745 0.764 187 HD2 LYS 26 1HD LYS 26 -5.618 9.173 2.013 188 HD3 LYS 26 2HD LYS 26 -4.594 10.448 1.336 189 HE2 LYS 26 1HE LYS 26 -4.657 9.307 -0.885 190 HE3 LYS 26 2HE LYS 26 -5.745 8.084 -0.215 191 HZ1 LYS 26 3HZ LYS 26 -7.352 9.865 0.240 192 HZ2 LYS 26 1HZ LYS 26 -6.981 9.839 -1.349 193 HZ3 LYS 26 2HZ LYS 26 -6.346 10.991 -0.384 194 H SER 27 H SER 27 -3.178 5.857 4.307 195 HA SER 27 HA SER 27 -1.479 7.678 5.665 196 HB2 SER 27 1HB SER 27 -2.635 5.029 6.609 197 HB3 SER 27 2HB SER 27 -1.887 6.249 7.658 198 HG SER 27 HG SER 27 -4.176 6.475 7.553 199 H HIS 28 H HIS 28 -0.657 4.569 4.270 200 HA HIS 28 HA HIS 28 1.947 4.416 5.661 201 HB2 HIS 28 1HB HIS 28 0.803 2.339 5.237 202 HB3 HIS 28 2HB HIS 28 0.642 2.703 3.522 203 HD1 HIS 28 1HD HIS 28 3.424 1.843 6.060 204 HD2 HIS 28 2HD HIS 28 2.670 2.177 1.936 205 HE1 HIS 28 1HE HIS 28 5.508 0.970 4.904 206 H LYS 29 H LYS 29 0.762 5.209 2.351 207 HA LYS 29 HA LYS 29 3.326 5.628 1.157 208 HB2 LYS 29 1HB LYS 29 0.550 6.692 0.527 209 HB3 LYS 29 2HB LYS 29 1.972 7.111 -0.438 210 HG2 LYS 29 1HG LYS 29 2.419 4.715 -0.871 211 HG3 LYS 29 2HG LYS 29 0.972 4.266 0.040 212 HD2 LYS 29 1HD LYS 29 -0.462 5.450 -1.550 213 HD3 LYS 29 2HD LYS 29 0.960 6.102 -2.384 214 HE2 LYS 29 1HE LYS 29 1.671 3.795 -2.981 215 HE3 LYS 29 2HE LYS 29 0.195 3.168 -2.240 216 HZ1 LYS 29 3HZ LYS 29 0.283 5.035 -4.549 217 HZ2 LYS 29 1HZ LYS 29 -1.089 4.479 -3.861 218 HZ3 LYS 29 2HZ LYS 29 -0.083 3.450 -4.635 219 H LEU 30 H LEU 30 1.363 7.850 3.098 220 HA LEU 30 HA LEU 30 2.941 10.196 2.794 221 HB2 LEU 30 1HB LEU 30 1.368 9.091 5.152 222 HB3 LEU 30 2HB LEU 30 2.093 10.694 5.154 223 HG LEU 30 HG LEU 30 0.006 9.795 3.124 224 HD11 LEU 30 1HD1 LEU 30 -0.879 9.891 5.431 225 HD12 LEU 30 2HD1 LEU 30 -1.551 11.178 4.416 226 HD13 LEU 30 3HD1 LEU 30 -0.270 11.548 5.597 227 HD21 LEU 30 3HD2 LEU 30 -0.208 12.231 2.685 228 HD22 LEU 30 1HD2 LEU 30 1.386 11.612 2.245 229 HD23 LEU 30 2HD2 LEU 30 1.184 12.531 3.754 230 H LEU 31 H LEU 31 3.682 7.281 4.639 231 HA LEU 31 HA LEU 31 5.845 8.464 6.181 232 HB2 LEU 31 1HB LEU 31 5.428 5.530 5.521 233 HB3 LEU 31 2HB LEU 31 6.382 6.202 6.831 234 HG LEU 31 HG LEU 31 3.345 6.369 6.599 235 HD11 LEU 31 1HD1 LEU 31 3.336 4.792 8.465 236 HD12 LEU 31 2HD1 LEU 31 5.115 4.736 8.457 237 HD13 LEU 31 3HD1 LEU 31 4.193 4.105 7.075 238 HD21 LEU 31 3HD2 LEU 31 4.212 8.314 7.829 239 HD22 LEU 31 1HD2 LEU 31 5.201 7.247 8.853 240 HD23 LEU 31 2HD2 LEU 31 3.427 7.185 8.937 241 H HIS 32 H HIS 32 5.624 7.336 2.898 242 HA HIS 32 HA HIS 32 8.569 7.149 2.567 243 HB2 HIS 32 1HB HIS 32 6.251 6.773 0.640 244 HB3 HIS 32 2HB HIS 32 7.947 6.707 0.183 245 HD1 HIS 32 1HD HIS 32 9.421 4.675 1.397 246 HD2 HIS 32 2HD HIS 32 5.226 4.490 1.465 247 HE1 HIS 32 1HE HIS 32 8.848 2.250 1.855 248 H THR 33 H THR 33 5.898 9.440 1.858 249 HA THR 33 HA THR 33 7.656 11.187 0.287 250 HB THR 33 HB THR 33 5.757 12.725 0.215 251 HG1 THR 33 1HG THR 33 3.833 12.147 1.137 252 HG21 THR 33 3HG2 THR 33 5.924 10.878 -1.448 253 HG22 THR 33 1HG2 THR 33 4.248 11.339 -1.110 254 HG23 THR 33 2HG2 THR 33 4.917 9.855 -0.399 255 H ALA 34 H ALA 34 6.569 11.077 3.666 256 HA ALA 34 HA ALA 34 7.763 13.616 4.397 257 HB1 ALA 34 1HB ALA 34 5.957 12.562 5.701 258 HB2 ALA 34 2HB ALA 34 7.024 11.190 6.086 259 HB3 ALA 34 3HB ALA 34 7.404 12.815 6.696 260 H ASP 35 H ASP 35 9.697 13.983 5.578 261 HA ASP 35 HA ASP 35 11.967 12.378 4.718 262 HB2 ASP 35 1HB ASP 35 11.936 14.858 4.804 263 HB3 ASP 35 2HB ASP 35 11.801 14.790 6.561 264 H GLY 36 H GLY 36 10.084 12.528 7.664 265 HA2 GLY 36 1HA GLY 36 11.198 10.172 8.837 266 HA3 GLY 36 2HA GLY 36 11.908 11.586 9.617 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -6.973 -23.126 -9.559 2 H2 GLY 1 2H GLY 1 -8.217 -22.897 -8.517 3 H3 GLY 1 3H GLY 1 -6.774 -23.433 -7.961 4 HA2 GLY 1 1HA GLY 1 -5.702 -21.359 -8.535 5 HA3 GLY 1 2HA GLY 1 -7.259 -20.778 -9.152 6 H SER 2 H SER 2 -5.895 -19.344 -7.231 7 HA SER 2 HA SER 2 -6.620 -19.914 -4.527 8 HB2 SER 2 1HB SER 2 -5.934 -17.242 -5.806 9 HB3 SER 2 2HB SER 2 -5.911 -17.617 -4.072 10 HG SER 2 HG SER 2 -3.822 -17.783 -5.034 11 H SER 3 H SER 3 -8.144 -18.979 -3.140 12 HA SER 3 HA SER 3 -10.773 -18.573 -4.155 13 HB2 SER 3 1HB SER 3 -9.653 -17.887 -1.410 14 HB3 SER 3 2HB SER 3 -11.369 -18.057 -1.832 15 HG SER 3 HG SER 3 -10.504 -19.979 -0.904 16 H GLY 4 H GLY 4 -12.089 -16.765 -4.340 17 HA2 GLY 4 1HA GLY 4 -10.971 -14.357 -5.272 18 HA3 GLY 4 2HA GLY 4 -12.657 -14.588 -4.797 19 H SER 5 H SER 5 -11.979 -15.160 -1.960 20 HA SER 5 HA SER 5 -11.984 -12.579 -0.798 21 HB2 SER 5 1HB SER 5 -11.150 -15.204 0.495 22 HB3 SER 5 2HB SER 5 -11.732 -13.746 1.323 23 HG SER 5 HG SER 5 -13.403 -15.295 1.046 24 H SER 6 H SER 6 -9.241 -14.470 -1.860 25 HA SER 6 HA SER 6 -7.283 -12.904 -0.292 26 HB2 SER 6 1HB SER 6 -6.863 -15.105 -2.340 27 HB3 SER 6 2HB SER 6 -5.625 -14.386 -1.295 28 HG SER 6 HG SER 6 -6.429 -16.341 -0.418 29 H GLY 7 H GLY 7 -8.980 -12.312 -3.109 30 HA2 GLY 7 1HA GLY 7 -6.801 -11.044 -4.659 31 HA3 GLY 7 2HA GLY 7 -8.491 -11.201 -5.118 32 H LYS 8 H LYS 8 -7.505 -8.925 -5.697 33 HA LYS 8 HA LYS 8 -7.685 -6.669 -5.592 34 HB2 LYS 8 1HB LYS 8 -10.117 -7.249 -3.866 35 HB3 LYS 8 2HB LYS 8 -9.817 -5.777 -4.786 36 HG2 LYS 8 1HG LYS 8 -10.286 -8.517 -6.002 37 HG3 LYS 8 2HG LYS 8 -11.435 -7.183 -5.870 38 HD2 LYS 8 1HD LYS 8 -9.652 -5.772 -7.156 39 HD3 LYS 8 2HD LYS 8 -8.936 -7.327 -7.607 40 HE2 LYS 8 1HE LYS 8 -11.842 -6.514 -8.005 41 HE3 LYS 8 2HE LYS 8 -10.596 -6.331 -9.248 42 HZ1 LYS 8 3HZ LYS 8 -11.468 -8.928 -8.089 43 HZ2 LYS 8 1HZ LYS 8 -10.293 -8.754 -9.216 44 HZ3 LYS 8 2HZ LYS 8 -11.837 -8.384 -9.580 45 H THR 9 H THR 9 -6.066 -7.874 -3.334 46 HA THR 9 HA THR 9 -6.156 -6.082 -1.115 47 HB THR 9 HB THR 9 -3.599 -7.360 -2.126 48 HG1 THR 9 1HG THR 9 -4.262 -9.249 -1.098 49 HG21 THR 9 3HG2 THR 9 -3.386 -6.030 -0.078 50 HG22 THR 9 1HG2 THR 9 -3.258 -7.749 0.321 51 HG23 THR 9 2HG2 THR 9 -4.768 -6.877 0.655 52 H HIS 10 H HIS 10 -5.012 -4.166 -0.644 53 HA HIS 10 HA HIS 10 -4.088 -2.589 -2.971 54 HB2 HIS 10 1HB HIS 10 -4.426 -1.832 -0.047 55 HB3 HIS 10 2HB HIS 10 -3.994 -0.740 -1.354 56 HD1 HIS 10 1HD HIS 10 -5.973 0.075 -2.959 57 HD2 HIS 10 2HD HIS 10 -7.020 -2.750 -0.026 58 HE1 HIS 10 1HE HIS 10 -8.524 0.046 -2.871 59 H LEU 11 H LEU 11 -1.943 -1.829 -3.214 60 HA LEU 11 HA LEU 11 0.141 -3.142 -1.523 61 HB2 LEU 11 1HB LEU 11 -0.251 -4.632 -3.307 62 HB3 LEU 11 2HB LEU 11 -0.336 -3.328 -4.500 63 HG LEU 11 HG LEU 11 2.117 -2.925 -4.213 64 HD11 LEU 11 1HD1 LEU 11 2.032 -5.501 -2.584 65 HD12 LEU 11 2HD1 LEU 11 2.418 -3.895 -1.931 66 HD13 LEU 11 3HD1 LEU 11 3.487 -4.641 -3.120 67 HD21 LEU 11 3HD2 LEU 11 1.316 -5.773 -4.923 68 HD22 LEU 11 1HD2 LEU 11 2.810 -4.946 -5.426 69 HD23 LEU 11 2HD2 LEU 11 1.241 -4.364 -6.007 70 H CYS 12 H CYS 12 1.831 -2.006 -1.043 71 HA CYS 12 HA CYS 12 2.278 0.720 -2.021 72 HB2 CYS 12 1HB CYS 12 2.516 -0.157 0.370 73 HB3 CYS 12 2HB CYS 12 3.958 -1.006 -0.171 74 H ASP 13 H ASP 13 3.276 0.993 -3.965 75 HA ASP 13 HA ASP 13 5.122 -0.973 -5.077 76 HB2 ASP 13 1HB ASP 13 5.252 0.527 -6.970 77 HB3 ASP 13 2HB ASP 13 3.580 0.250 -6.507 78 H MET 14 H MET 14 5.555 1.324 -2.684 79 HA MET 14 HA MET 14 8.275 2.200 -3.414 80 HB2 MET 14 1HB MET 14 6.722 2.492 -0.839 81 HB3 MET 14 2HB MET 14 8.216 3.308 -1.223 82 HG2 MET 14 1HG MET 14 5.580 3.692 -2.711 83 HG3 MET 14 2HG MET 14 6.146 4.696 -1.386 84 HE1 MET 14 3HE MET 14 5.152 6.019 -3.919 85 HE2 MET 14 1HE MET 14 5.863 6.868 -2.529 86 HE3 MET 14 2HE MET 14 6.413 7.248 -4.179 87 H CYS 15 H CYS 15 6.783 -0.030 -1.045 88 HA CYS 15 HA CYS 15 9.461 -1.159 -0.373 89 HB2 CYS 15 1HB CYS 15 8.794 -1.332 1.929 90 HB3 CYS 15 2HB CYS 15 8.780 0.337 1.366 91 H GLY 16 H GLY 16 6.175 -1.859 -1.279 92 HA2 GLY 16 1HA GLY 16 5.525 -3.910 -2.229 93 HA3 GLY 16 2HA GLY 16 6.823 -4.747 -1.391 94 H LYS 17 H LYS 17 5.218 -2.816 0.878 95 HA LYS 17 HA LYS 17 3.901 -5.071 2.159 96 HB2 LYS 17 1HB LYS 17 3.877 -2.082 2.746 97 HB3 LYS 17 2HB LYS 17 3.086 -3.296 3.757 98 HG2 LYS 17 1HG LYS 17 5.262 -4.439 4.110 99 HG3 LYS 17 2HG LYS 17 6.071 -3.208 3.124 100 HD2 LYS 17 1HD LYS 17 5.245 -1.453 4.716 101 HD3 LYS 17 2HD LYS 17 4.600 -2.726 5.758 102 HE2 LYS 17 1HE LYS 17 7.526 -2.414 4.928 103 HE3 LYS 17 2HE LYS 17 6.848 -1.829 6.449 104 HZ1 LYS 17 3HZ LYS 17 6.956 -4.681 5.627 105 HZ2 LYS 17 1HZ LYS 17 6.289 -4.136 7.018 106 HZ3 LYS 17 2HZ LYS 17 7.891 -3.979 6.761 107 H LYS 18 H LYS 18 1.839 -5.578 2.429 108 HA LYS 18 HA LYS 18 -0.143 -4.437 0.515 109 HB2 LYS 18 1HB LYS 18 0.338 -7.201 1.629 110 HB3 LYS 18 2HB LYS 18 -1.244 -6.749 1.005 111 HG2 LYS 18 1HG LYS 18 -0.369 -6.219 -1.180 112 HG3 LYS 18 2HG LYS 18 1.301 -6.383 -0.615 113 HD2 LYS 18 1HD LYS 18 0.933 -8.780 -0.151 114 HD3 LYS 18 2HD LYS 18 -0.744 -8.639 -0.726 115 HE2 LYS 18 1HE LYS 18 0.086 -7.926 -2.960 116 HE3 LYS 18 2HE LYS 18 1.754 -8.048 -2.385 117 HZ1 LYS 18 3HZ LYS 18 -0.150 -10.325 -2.568 118 HZ2 LYS 18 1HZ LYS 18 1.391 -10.434 -2.037 119 HZ3 LYS 18 2HZ LYS 18 1.089 -10.046 -3.592 120 H PHE 19 H PHE 19 -2.168 -3.948 1.077 121 HA PHE 19 HA PHE 19 -2.876 -3.711 3.969 122 HB2 PHE 19 1HB PHE 19 -2.910 -1.527 1.854 123 HB3 PHE 19 2HB PHE 19 -3.554 -1.357 3.477 124 HD1 PHE 19 2HD PHE 19 -2.022 -1.452 5.475 125 HD2 PHE 19 1HD PHE 19 -0.510 -1.459 1.442 126 HE1 PHE 19 2HE PHE 19 0.238 -0.864 6.323 127 HE2 PHE 19 1HE PHE 19 1.748 -0.894 2.289 128 HZ PHE 19 HZ PHE 19 2.131 -0.602 4.730 129 H LYS 20 H LYS 20 -5.046 -3.455 4.481 130 HA LYS 20 HA LYS 20 -6.903 -4.869 2.742 131 HB2 LYS 20 1HB LYS 20 -6.642 -5.173 5.218 132 HB3 LYS 20 2HB LYS 20 -7.371 -3.578 5.459 133 HG2 LYS 20 1HG LYS 20 -9.485 -4.357 4.493 134 HG3 LYS 20 2HG LYS 20 -8.731 -5.873 3.976 135 HD2 LYS 20 1HD LYS 20 -10.089 -6.274 5.931 136 HD3 LYS 20 2HD LYS 20 -8.386 -6.517 6.344 137 HE2 LYS 20 1HE LYS 20 -8.314 -4.259 7.382 138 HE3 LYS 20 2HE LYS 20 -10.001 -3.988 6.922 139 HZ1 LYS 20 3HZ LYS 20 -9.063 -6.109 8.782 140 HZ2 LYS 20 1HZ LYS 20 -10.621 -5.856 8.361 141 HZ3 LYS 20 2HZ LYS 20 -9.817 -4.733 9.227 142 H SER 21 H SER 21 -6.240 -1.518 3.183 143 HA SER 21 HA SER 21 -8.506 -0.780 1.421 144 HB2 SER 21 1HB SER 21 -9.424 -0.446 3.639 145 HB3 SER 21 2HB SER 21 -7.995 0.472 4.142 146 HG SER 21 HG SER 21 -9.884 1.735 3.462 147 H LYS 22 H LYS 22 -8.186 1.025 0.202 148 HA LYS 22 HA LYS 22 -5.559 2.061 -0.346 149 HB2 LYS 22 1HB LYS 22 -6.783 3.807 -1.648 150 HB3 LYS 22 2HB LYS 22 -7.166 2.155 -2.094 151 HG2 LYS 22 1HG LYS 22 -9.302 2.271 -0.848 152 HG3 LYS 22 2HG LYS 22 -8.911 3.917 -0.322 153 HD2 LYS 22 1HD LYS 22 -8.889 4.670 -2.686 154 HD3 LYS 22 2HD LYS 22 -9.271 3.016 -3.214 155 HE2 LYS 22 1HE LYS 22 -11.385 3.093 -1.905 156 HE3 LYS 22 2HE LYS 22 -11.004 4.737 -1.379 157 HZ1 LYS 22 3HZ LYS 22 -12.510 4.744 -3.283 158 HZ2 LYS 22 1HZ LYS 22 -11.451 3.913 -4.201 159 HZ3 LYS 22 2HZ LYS 22 -11.098 5.433 -3.717 160 H GLY 23 H GLY 23 -8.023 3.071 1.964 161 HA2 GLY 23 1HA GLY 23 -6.897 5.656 2.632 162 HA3 GLY 23 2HA GLY 23 -7.967 4.667 3.638 163 H THR 24 H THR 24 -6.507 2.370 4.071 164 HA THR 24 HA THR 24 -4.545 3.074 6.019 165 HB THR 24 HB THR 24 -4.805 0.382 4.628 166 HG1 THR 24 1HG THR 24 -6.269 -0.043 6.373 167 HG21 THR 24 3HG2 THR 24 -2.873 0.645 6.184 168 HG22 THR 24 1HG2 THR 24 -4.074 -0.502 6.801 169 HG23 THR 24 2HG2 THR 24 -3.991 1.148 7.469 170 H LEU 25 H LEU 25 -4.162 1.837 2.645 171 HA LEU 25 HA LEU 25 -1.323 1.850 2.589 172 HB2 LEU 25 1HB LEU 25 -2.647 0.708 0.921 173 HB3 LEU 25 2HB LEU 25 -3.469 2.201 0.481 174 HG LEU 25 HG LEU 25 -1.338 3.120 -0.425 175 HD11 LEU 25 1HD1 LEU 25 0.277 1.780 0.933 176 HD12 LEU 25 2HD1 LEU 25 0.574 1.631 -0.799 177 HD13 LEU 25 3HD1 LEU 25 -0.243 0.318 0.066 178 HD21 LEU 25 3HD2 LEU 25 -2.963 1.937 -1.848 179 HD22 LEU 25 1HD2 LEU 25 -2.068 0.419 -1.578 180 HD23 LEU 25 2HD2 LEU 25 -1.294 1.772 -2.428 181 H LYS 26 H LYS 26 -3.647 4.531 1.837 182 HA LYS 26 HA LYS 26 -1.652 6.423 1.070 183 HB2 LYS 26 1HB LYS 26 -4.020 6.710 0.572 184 HB3 LYS 26 2HB LYS 26 -4.406 6.877 2.293 185 HG2 LYS 26 1HG LYS 26 -3.015 8.900 2.448 186 HG3 LYS 26 2HG LYS 26 -2.538 8.737 0.754 187 HD2 LYS 26 1HD LYS 26 -5.388 9.197 1.753 188 HD3 LYS 26 2HD LYS 26 -4.295 10.458 1.160 189 HE2 LYS 26 1HE LYS 26 -4.165 9.288 -1.047 190 HE3 LYS 26 2HE LYS 26 -5.330 8.091 -0.465 191 HZ1 LYS 26 3HZ LYS 26 -6.942 9.903 -0.179 192 HZ2 LYS 26 1HZ LYS 26 -6.429 9.848 -1.727 193 HZ3 LYS 26 2HZ LYS 26 -5.864 11.003 -0.725 194 H SER 27 H SER 27 -3.164 5.924 4.305 195 HA SER 27 HA SER 27 -1.578 7.797 5.726 196 HB2 SER 27 1HB SER 27 -2.818 5.179 6.655 197 HB3 SER 27 2HB SER 27 -2.132 6.414 7.730 198 HG SER 27 HG SER 27 -4.407 6.658 7.453 199 H HIS 28 H HIS 28 -0.716 4.599 4.574 200 HA HIS 28 HA HIS 28 1.808 4.467 6.089 201 HB2 HIS 28 1HB HIS 28 0.785 2.382 5.629 202 HB3 HIS 28 2HB HIS 28 0.515 2.772 3.937 203 HD1 HIS 28 1HD HIS 28 3.519 1.988 6.256 204 HD2 HIS 28 2HD HIS 28 2.363 2.160 2.218 205 HE1 HIS 28 1HE HIS 28 5.483 1.072 4.937 206 H LYS 29 H LYS 29 0.862 5.211 2.684 207 HA LYS 29 HA LYS 29 3.520 5.636 1.745 208 HB2 LYS 29 1HB LYS 29 0.765 6.364 0.742 209 HB3 LYS 29 2HB LYS 29 2.191 7.064 -0.037 210 HG2 LYS 29 1HG LYS 29 3.154 4.826 -0.382 211 HG3 LYS 29 2HG LYS 29 1.715 4.072 0.331 212 HD2 LYS 29 1HD LYS 29 0.321 4.814 -1.481 213 HD3 LYS 29 2HD LYS 29 1.557 5.955 -2.060 214 HE2 LYS 29 1HE LYS 29 3.080 4.069 -2.566 215 HE3 LYS 29 2HE LYS 29 1.846 2.916 -2.063 216 HZ1 LYS 29 3HZ LYS 29 1.979 3.365 -4.509 217 HZ2 LYS 29 1HZ LYS 29 1.463 4.885 -4.261 218 HZ3 LYS 29 2HZ LYS 29 0.468 3.630 -3.902 219 H LEU 30 H LEU 30 1.476 7.876 3.496 220 HA LEU 30 HA LEU 30 2.971 10.258 3.098 221 HB2 LEU 30 1HB LEU 30 1.527 9.159 5.531 222 HB3 LEU 30 2HB LEU 30 2.220 10.776 5.485 223 HG LEU 30 HG LEU 30 0.072 9.803 3.553 224 HD11 LEU 30 1HD1 LEU 30 -0.689 9.934 5.905 225 HD12 LEU 30 2HD1 LEU 30 -1.449 11.175 4.889 226 HD13 LEU 30 3HD1 LEU 30 -0.121 11.613 5.992 227 HD21 LEU 30 3HD2 LEU 30 -0.198 12.233 3.077 228 HD22 LEU 30 1HD2 LEU 30 1.376 11.623 2.565 229 HD23 LEU 30 2HD2 LEU 30 1.241 12.572 4.065 230 H LEU 31 H LEU 31 3.883 7.392 4.904 231 HA LEU 31 HA LEU 31 6.148 8.625 6.272 232 HB2 LEU 31 1HB LEU 31 5.620 5.680 5.757 233 HB3 LEU 31 2HB LEU 31 6.704 6.367 6.952 234 HG LEU 31 HG LEU 31 3.659 6.626 6.994 235 HD11 LEU 31 1HD1 LEU 31 5.548 4.972 8.714 236 HD12 LEU 31 2HD1 LEU 31 4.462 4.346 7.452 237 HD13 LEU 31 3HD1 LEU 31 3.784 5.102 8.904 238 HD21 LEU 31 3HD2 LEU 31 4.707 8.568 8.081 239 HD22 LEU 31 1HD2 LEU 31 5.753 7.492 9.036 240 HD23 LEU 31 2HD2 LEU 31 3.993 7.496 9.290 241 H HIS 32 H HIS 32 5.687 7.328 3.059 242 HA HIS 32 HA HIS 32 8.604 7.129 2.531 243 HB2 HIS 32 1HB HIS 32 6.204 6.721 0.708 244 HB3 HIS 32 2HB HIS 32 7.886 6.530 0.239 245 HD1 HIS 32 1HD HIS 32 9.198 4.582 2.046 246 HD2 HIS 32 2HD HIS 32 5.133 4.419 1.031 247 HE1 HIS 32 1HE HIS 32 8.509 2.158 2.358 248 H THR 33 H THR 33 5.786 9.154 1.558 249 HA THR 33 HA THR 33 7.536 11.478 1.225 250 HB THR 33 HB THR 33 7.748 10.356 -0.962 251 HG1 THR 33 1HG THR 33 7.300 12.204 -2.131 252 HG21 THR 33 3HG2 THR 33 4.788 10.955 -1.381 253 HG22 THR 33 1HG2 THR 33 5.468 9.332 -1.133 254 HG23 THR 33 2HG2 THR 33 5.931 10.274 -2.557 255 H ALA 34 H ALA 34 6.445 13.457 1.283 256 HA ALA 34 HA ALA 34 3.884 13.380 2.651 257 HB1 ALA 34 1HB ALA 34 4.227 15.806 2.862 258 HB2 ALA 34 2HB ALA 34 5.691 14.914 3.314 259 HB3 ALA 34 3HB ALA 34 5.596 15.725 1.733 260 H ASP 35 H ASP 35 1.999 14.610 2.072 261 HA ASP 35 HA ASP 35 1.589 15.326 -0.769 262 HB2 ASP 35 1HB ASP 35 0.911 12.952 -0.570 263 HB3 ASP 35 2HB ASP 35 -0.176 13.370 0.755 264 H GLY 36 H GLY 36 0.028 16.892 -1.108 265 HA2 GLY 36 1HA GLY 36 -1.949 17.893 0.611 266 HA3 GLY 36 2HA GLY 36 -0.475 18.764 1.030 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -18.119 -7.289 -15.082 2 H2 GLY 1 2H GLY 1 -17.272 -7.085 -13.693 3 H3 GLY 1 3H GLY 1 -18.642 -6.227 -13.950 4 HA2 GLY 1 1HA GLY 1 -19.990 -8.216 -13.881 5 HA3 GLY 1 2HA GLY 1 -18.507 -9.159 -13.632 6 H SER 2 H SER 2 -20.958 -8.784 -11.926 7 HA SER 2 HA SER 2 -20.571 -7.029 -9.795 8 HB2 SER 2 1HB SER 2 -22.030 -9.695 -9.727 9 HB3 SER 2 2HB SER 2 -22.301 -8.308 -8.655 10 HG SER 2 HG SER 2 -23.819 -8.373 -10.380 11 H SER 3 H SER 3 -18.997 -10.137 -10.187 12 HA SER 3 HA SER 3 -18.259 -10.571 -7.436 13 HB2 SER 3 1HB SER 3 -16.889 -11.541 -9.972 14 HB3 SER 3 2HB SER 3 -16.702 -12.213 -8.341 15 HG SER 3 HG SER 3 -18.210 -13.409 -9.597 16 H GLY 4 H GLY 4 -17.096 -8.234 -9.682 17 HA2 GLY 4 1HA GLY 4 -15.489 -6.596 -9.429 18 HA3 GLY 4 2HA GLY 4 -15.038 -7.268 -7.867 19 H SER 5 H SER 5 -12.961 -6.416 -8.991 20 HA SER 5 HA SER 5 -11.636 -7.973 -10.994 21 HB2 SER 5 1HB SER 5 -10.455 -6.168 -8.849 22 HB3 SER 5 2HB SER 5 -9.630 -6.734 -10.315 23 HG SER 5 HG SER 5 -10.517 -4.628 -10.576 24 H SER 6 H SER 6 -9.857 -9.419 -10.829 25 HA SER 6 HA SER 6 -10.083 -11.442 -8.850 26 HB2 SER 6 1HB SER 6 -7.750 -10.914 -10.729 27 HB3 SER 6 2HB SER 6 -8.132 -12.442 -9.913 28 HG SER 6 HG SER 6 -8.910 -12.393 -12.078 29 H GLY 7 H GLY 7 -7.853 -8.681 -9.029 30 HA2 GLY 7 1HA GLY 7 -6.367 -9.458 -6.590 31 HA3 GLY 7 2HA GLY 7 -6.150 -7.994 -7.544 32 H LYS 8 H LYS 8 -7.118 -9.018 -4.614 33 HA LYS 8 HA LYS 8 -8.982 -6.726 -4.128 34 HB2 LYS 8 1HB LYS 8 -9.315 -9.573 -3.090 35 HB3 LYS 8 2HB LYS 8 -10.291 -8.172 -2.607 36 HG2 LYS 8 1HG LYS 8 -10.965 -7.848 -4.980 37 HG3 LYS 8 2HG LYS 8 -10.138 -9.368 -5.388 38 HD2 LYS 8 1HD LYS 8 -11.603 -10.622 -3.867 39 HD3 LYS 8 2HD LYS 8 -12.385 -9.108 -3.335 40 HE2 LYS 8 1HE LYS 8 -13.039 -8.640 -5.674 41 HE3 LYS 8 2HE LYS 8 -12.317 -10.169 -6.186 42 HZ1 LYS 8 3HZ LYS 8 -14.584 -9.937 -4.274 43 HZ2 LYS 8 1HZ LYS 8 -13.950 -11.341 -4.831 44 HZ3 LYS 8 2HZ LYS 8 -14.737 -10.324 -5.854 45 H THR 9 H THR 9 -6.158 -6.791 -3.730 46 HA THR 9 HA THR 9 -6.081 -6.027 -0.847 47 HB THR 9 HB THR 9 -3.690 -7.340 -2.180 48 HG1 THR 9 1HG THR 9 -5.653 -8.588 -0.547 49 HG21 THR 9 3HG2 THR 9 -3.077 -7.811 0.194 50 HG22 THR 9 1HG2 THR 9 -4.485 -6.870 0.730 51 HG23 THR 9 2HG2 THR 9 -3.166 -6.082 -0.165 52 H HIS 10 H HIS 10 -4.887 -4.174 -0.412 53 HA HIS 10 HA HIS 10 -4.111 -2.539 -2.770 54 HB2 HIS 10 1HB HIS 10 -4.504 -1.813 0.154 55 HB3 HIS 10 2HB HIS 10 -4.098 -0.690 -1.137 56 HD1 HIS 10 1HD HIS 10 -6.089 0.071 -2.748 57 HD2 HIS 10 2HD HIS 10 -7.048 -2.900 0.071 58 HE1 HIS 10 1HE HIS 10 -8.634 -0.113 -2.739 59 H LEU 11 H LEU 11 -1.985 -1.797 -3.092 60 HA LEU 11 HA LEU 11 0.128 -3.089 -1.411 61 HB2 LEU 11 1HB LEU 11 -0.329 -4.555 -3.206 62 HB3 LEU 11 2HB LEU 11 -0.400 -3.234 -4.380 63 HG LEU 11 HG LEU 11 2.070 -2.880 -4.093 64 HD11 LEU 11 1HD1 LEU 11 3.400 -4.681 -3.077 65 HD12 LEU 11 2HD1 LEU 11 1.924 -5.517 -2.564 66 HD13 LEU 11 3HD1 LEU 11 2.360 -3.948 -1.855 67 HD21 LEU 11 3HD2 LEU 11 2.702 -4.866 -5.389 68 HD22 LEU 11 1HD2 LEU 11 1.156 -4.202 -5.938 69 HD23 LEU 11 2HD2 LEU 11 1.178 -5.665 -4.922 70 H CYS 12 H CYS 12 1.852 -1.993 -0.958 71 HA CYS 12 HA CYS 12 2.357 0.738 -1.840 72 HB2 CYS 12 1HB CYS 12 2.852 -0.113 0.437 73 HB3 CYS 12 2HB CYS 12 4.016 -1.251 -0.253 74 H ASP 13 H ASP 13 3.304 1.230 -3.720 75 HA ASP 13 HA ASP 13 4.807 -0.741 -5.301 76 HB2 ASP 13 1HB ASP 13 3.182 0.867 -6.275 77 HB3 ASP 13 2HB ASP 13 4.239 2.201 -5.802 78 H MET 14 H MET 14 5.644 1.148 -2.686 79 HA MET 14 HA MET 14 8.324 1.977 -3.696 80 HB2 MET 14 1HB MET 14 6.820 2.800 -1.197 81 HB3 MET 14 2HB MET 14 8.317 3.489 -1.802 82 HG2 MET 14 1HG MET 14 7.122 4.234 -3.855 83 HG3 MET 14 2HG MET 14 5.615 3.593 -3.183 84 HE1 MET 14 3HE MET 14 4.255 5.726 -3.328 85 HE2 MET 14 1HE MET 14 4.855 7.337 -2.873 86 HE3 MET 14 2HE MET 14 5.630 6.440 -4.205 87 H CYS 15 H CYS 15 6.840 0.117 -1.044 88 HA CYS 15 HA CYS 15 9.463 -1.196 -0.593 89 HB2 CYS 15 1HB CYS 15 9.273 -1.196 1.756 90 HB3 CYS 15 2HB CYS 15 9.231 0.446 1.148 91 H GLY 16 H GLY 16 6.352 -1.710 -1.541 92 HA2 GLY 16 1HA GLY 16 5.529 -3.737 -2.329 93 HA3 GLY 16 2HA GLY 16 6.850 -4.576 -1.537 94 H LYS 17 H LYS 17 5.125 -2.705 0.720 95 HA LYS 17 HA LYS 17 4.000 -5.056 2.039 96 HB2 LYS 17 1HB LYS 17 3.891 -2.083 2.696 97 HB3 LYS 17 2HB LYS 17 3.268 -3.362 3.747 98 HG2 LYS 17 1HG LYS 17 5.526 -4.358 3.921 99 HG3 LYS 17 2HG LYS 17 6.156 -3.135 2.805 100 HD2 LYS 17 1HD LYS 17 5.473 -1.350 4.433 101 HD3 LYS 17 2HD LYS 17 4.984 -2.613 5.566 102 HE2 LYS 17 1HE LYS 17 7.209 -1.740 6.110 103 HE3 LYS 17 2HE LYS 17 7.288 -3.455 5.694 104 HZ1 LYS 17 3HZ LYS 17 7.860 -1.319 3.702 105 HZ2 LYS 17 1HZ LYS 17 8.197 -2.900 3.572 106 HZ3 LYS 17 2HZ LYS 17 9.037 -1.993 4.641 107 H LYS 18 H LYS 18 1.950 -5.605 2.440 108 HA LYS 18 HA LYS 18 -0.135 -4.522 0.607 109 HB2 LYS 18 1HB LYS 18 0.462 -7.249 1.742 110 HB3 LYS 18 2HB LYS 18 -1.179 -6.847 1.255 111 HG2 LYS 18 1HG LYS 18 -0.514 -6.341 -1.008 112 HG3 LYS 18 2HG LYS 18 1.201 -6.442 -0.593 113 HD2 LYS 18 1HD LYS 18 0.954 -8.841 -0.060 114 HD3 LYS 18 2HD LYS 18 -0.773 -8.763 -0.478 115 HE2 LYS 18 1HE LYS 18 -0.176 -8.065 -2.791 116 HE3 LYS 18 2HE LYS 18 1.541 -8.136 -2.373 117 HZ1 LYS 18 3HZ LYS 18 1.272 -10.524 -1.952 118 HZ2 LYS 18 1HZ LYS 18 0.816 -10.173 -3.478 119 HZ3 LYS 18 2HZ LYS 18 -0.315 -10.460 -2.337 120 H PHE 19 H PHE 19 -2.112 -3.996 1.233 121 HA PHE 19 HA PHE 19 -2.737 -3.688 4.133 122 HB2 PHE 19 1HB PHE 19 -2.819 -1.572 1.950 123 HB3 PHE 19 2HB PHE 19 -3.408 -1.339 3.585 124 HD1 PHE 19 2HD PHE 19 -1.764 -1.565 5.550 125 HD2 PHE 19 1HD PHE 19 -0.477 -1.387 1.441 126 HE1 PHE 19 2HE PHE 19 0.537 -1.006 6.296 127 HE2 PHE 19 1HE PHE 19 1.819 -0.843 2.190 128 HZ PHE 19 HZ PHE 19 2.337 -0.662 4.617 129 H LYS 20 H LYS 20 -4.873 -3.324 4.693 130 HA LYS 20 HA LYS 20 -6.793 -4.904 3.229 131 HB2 LYS 20 1HB LYS 20 -8.214 -4.551 5.165 132 HB3 LYS 20 2HB LYS 20 -6.571 -4.931 5.679 133 HG2 LYS 20 1HG LYS 20 -6.157 -2.487 6.093 134 HG3 LYS 20 2HG LYS 20 -7.830 -2.143 5.616 135 HD2 LYS 20 1HD LYS 20 -8.657 -3.554 7.473 136 HD3 LYS 20 2HD LYS 20 -6.980 -3.904 7.953 137 HE2 LYS 20 1HE LYS 20 -6.575 -1.474 8.295 138 HE3 LYS 20 2HE LYS 20 -8.239 -1.125 7.818 139 HZ1 LYS 20 3HZ LYS 20 -8.017 -1.218 10.235 140 HZ2 LYS 20 1HZ LYS 20 -7.456 -2.748 10.184 141 HZ3 LYS 20 2HZ LYS 20 -8.995 -2.425 9.741 142 H SER 21 H SER 21 -6.217 -1.497 3.205 143 HA SER 21 HA SER 21 -8.569 -0.997 1.481 144 HB2 SER 21 1HB SER 21 -9.484 -0.642 3.699 145 HB3 SER 21 2HB SER 21 -8.115 0.385 4.152 146 HG SER 21 HG SER 21 -10.094 1.497 3.463 147 H LYS 22 H LYS 22 -8.431 0.922 0.296 148 HA LYS 22 HA LYS 22 -5.846 2.011 -0.376 149 HB2 LYS 22 1HB LYS 22 -7.178 3.749 -1.594 150 HB3 LYS 22 2HB LYS 22 -7.510 2.091 -2.059 151 HG2 LYS 22 1HG LYS 22 -9.602 2.088 -0.754 152 HG3 LYS 22 2HG LYS 22 -9.262 3.729 -0.182 153 HD2 LYS 22 1HD LYS 22 -9.354 4.566 -2.514 154 HD3 LYS 22 2HD LYS 22 -9.679 2.915 -3.091 155 HE2 LYS 22 1HE LYS 22 -11.751 2.849 -1.714 156 HE3 LYS 22 2HE LYS 22 -11.427 4.491 -1.144 157 HZ1 LYS 22 3HZ LYS 22 -11.928 3.741 -3.979 158 HZ2 LYS 22 1HZ LYS 22 -11.628 5.260 -3.452 159 HZ3 LYS 22 2HZ LYS 22 -12.994 4.492 -2.999 160 H GLY 23 H GLY 23 -8.227 2.953 2.055 161 HA2 GLY 23 1HA GLY 23 -7.040 5.518 2.732 162 HA3 GLY 23 2HA GLY 23 -8.107 4.537 3.745 163 H THR 24 H THR 24 -6.603 2.175 3.986 164 HA THR 24 HA THR 24 -4.614 2.809 5.957 165 HB THR 24 HB THR 24 -4.899 0.175 4.469 166 HG1 THR 24 1HG THR 24 -6.357 1.141 6.699 167 HG21 THR 24 3HG2 THR 24 -4.174 -0.806 6.592 168 HG22 THR 24 1HG2 THR 24 -4.078 0.808 7.337 169 HG23 THR 24 2HG2 THR 24 -2.969 0.364 6.024 170 H LEU 25 H LEU 25 -4.320 1.701 2.525 171 HA LEU 25 HA LEU 25 -1.469 1.764 2.441 172 HB2 LEU 25 1HB LEU 25 -2.738 0.572 0.784 173 HB3 LEU 25 2HB LEU 25 -3.649 2.016 0.357 174 HG LEU 25 HG LEU 25 -1.572 3.055 -0.573 175 HD11 LEU 25 1HD1 LEU 25 -0.321 0.326 -0.048 176 HD12 LEU 25 2HD1 LEU 25 0.133 1.837 0.766 177 HD13 LEU 25 3HD1 LEU 25 0.417 1.655 -0.960 178 HD21 LEU 25 3HD2 LEU 25 -2.171 0.319 -1.708 179 HD22 LEU 25 1HD2 LEU 25 -1.479 1.702 -2.573 180 HD23 LEU 25 2HD2 LEU 25 -3.147 1.786 -1.973 181 H LYS 26 H LYS 26 -3.876 4.380 1.675 182 HA LYS 26 HA LYS 26 -1.951 6.336 0.910 183 HB2 LYS 26 1HB LYS 26 -4.344 6.578 0.516 184 HB3 LYS 26 2HB LYS 26 -4.666 6.690 2.255 185 HG2 LYS 26 1HG LYS 26 -3.345 8.757 2.404 186 HG3 LYS 26 2HG LYS 26 -2.904 8.637 0.699 187 HD2 LYS 26 1HD LYS 26 -5.741 8.985 1.771 188 HD3 LYS 26 2HD LYS 26 -4.706 10.294 1.181 189 HE2 LYS 26 1HE LYS 26 -4.593 9.182 -1.054 190 HE3 LYS 26 2HE LYS 26 -5.694 7.927 -0.473 191 HZ1 LYS 26 3HZ LYS 26 -6.893 9.667 -1.666 192 HZ2 LYS 26 1HZ LYS 26 -6.352 10.820 -0.649 193 HZ3 LYS 26 2HZ LYS 26 -7.371 9.663 -0.106 194 H SER 27 H SER 27 -3.297 5.627 4.134 195 HA SER 27 HA SER 27 -1.777 7.494 5.645 196 HB2 SER 27 1HB SER 27 -2.763 4.743 6.501 197 HB3 SER 27 2HB SER 27 -2.234 6.048 7.574 198 HG SER 27 HG SER 27 -4.506 5.979 5.862 199 H HIS 28 H HIS 28 -0.746 4.475 4.205 200 HA HIS 28 HA HIS 28 1.828 4.429 5.660 201 HB2 HIS 28 1HB HIS 28 0.814 2.304 5.247 202 HB3 HIS 28 2HB HIS 28 0.582 2.653 3.538 203 HD1 HIS 28 1HD HIS 28 3.478 1.917 5.983 204 HD2 HIS 28 2HD HIS 28 2.567 2.199 1.887 205 HE1 HIS 28 1HE HIS 28 5.543 1.092 4.757 206 H LYS 29 H LYS 29 0.685 5.136 2.307 207 HA LYS 29 HA LYS 29 3.252 5.657 1.169 208 HB2 LYS 29 1HB LYS 29 0.442 6.563 0.462 209 HB3 LYS 29 2HB LYS 29 1.855 7.088 -0.460 210 HG2 LYS 29 1HG LYS 29 2.483 4.756 -0.929 211 HG3 LYS 29 2HG LYS 29 1.075 4.171 -0.026 212 HD2 LYS 29 1HD LYS 29 -0.454 5.233 -1.605 213 HD3 LYS 29 2HD LYS 29 0.894 6.047 -2.415 214 HE2 LYS 29 1HE LYS 29 1.835 3.834 -3.068 215 HE3 LYS 29 2HE LYS 29 0.426 3.047 -2.354 216 HZ1 LYS 29 3HZ LYS 29 0.124 3.364 -4.738 217 HZ2 LYS 29 1HZ LYS 29 0.341 4.975 -4.614 218 HZ3 LYS 29 2HZ LYS 29 -0.975 4.276 -3.947 219 H LEU 30 H LEU 30 1.172 7.810 3.042 220 HA LEU 30 HA LEU 30 2.638 10.236 2.722 221 HB2 LEU 30 1HB LEU 30 1.046 9.061 5.038 222 HB3 LEU 30 2HB LEU 30 1.688 10.698 5.069 223 HG LEU 30 HG LEU 30 -0.245 9.723 2.923 224 HD11 LEU 30 1HD1 LEU 30 -0.760 11.333 5.455 225 HD12 LEU 30 2HD1 LEU 30 -1.242 9.647 5.176 226 HD13 LEU 30 3HD1 LEU 30 -1.956 10.938 4.193 227 HD21 LEU 30 3HD2 LEU 30 -0.593 12.148 2.554 228 HD22 LEU 30 1HD2 LEU 30 1.070 11.660 2.209 229 HD23 LEU 30 2HD2 LEU 30 0.696 12.504 3.728 230 H LEU 31 H LEU 31 3.541 7.372 4.498 231 HA LEU 31 HA LEU 31 5.561 8.703 6.149 232 HB2 LEU 31 1HB LEU 31 5.258 5.737 5.594 233 HB3 LEU 31 2HB LEU 31 6.130 6.488 6.917 234 HG LEU 31 HG LEU 31 3.104 6.560 6.542 235 HD11 LEU 31 1HD1 LEU 31 3.986 4.340 7.147 236 HD12 LEU 31 2HD1 LEU 31 3.052 5.059 8.469 237 HD13 LEU 31 3HD1 LEU 31 4.830 5.052 8.542 238 HD21 LEU 31 3HD2 LEU 31 3.866 8.575 7.730 239 HD22 LEU 31 1HD2 LEU 31 4.834 7.575 8.839 240 HD23 LEU 31 2HD2 LEU 31 3.059 7.468 8.845 241 H HIS 32 H HIS 32 5.570 7.646 2.865 242 HA HIS 32 HA HIS 32 8.470 7.106 2.783 243 HB2 HIS 32 1HB HIS 32 6.233 6.971 0.746 244 HB3 HIS 32 2HB HIS 32 7.919 6.841 0.281 245 HD1 HIS 32 1HD HIS 32 9.319 4.797 1.720 246 HD2 HIS 32 2HD HIS 32 5.175 4.613 1.082 247 HE1 HIS 32 1HE HIS 32 8.706 2.343 1.898 248 H THR 33 H THR 33 6.704 10.013 2.698 249 HA THR 33 HA THR 33 8.187 11.368 0.607 250 HB THR 33 HB THR 33 7.243 13.448 1.547 251 HG1 THR 33 1HG THR 33 7.113 12.904 3.726 252 HG21 THR 33 3HG2 THR 33 5.943 12.100 -0.080 253 HG22 THR 33 1HG2 THR 33 4.902 12.966 1.064 254 HG23 THR 33 2HG2 THR 33 5.176 11.223 1.264 255 H ALA 34 H ALA 34 9.760 13.017 0.791 256 HA ALA 34 HA ALA 34 11.871 12.437 2.659 257 HB1 ALA 34 1HB ALA 34 13.056 14.229 1.461 258 HB2 ALA 34 2HB ALA 34 12.268 13.118 0.326 259 HB3 ALA 34 3HB ALA 34 11.547 14.712 0.660 260 H ASP 35 H ASP 35 12.910 13.890 4.115 261 HA ASP 35 HA ASP 35 11.400 16.180 5.202 262 HB2 ASP 35 1HB ASP 35 11.330 15.377 7.426 263 HB3 ASP 35 2HB ASP 35 10.601 14.138 6.421 264 H GLY 36 H GLY 36 12.631 17.470 6.732 265 HA2 GLY 36 1HA GLY 36 15.310 17.232 7.471 266 HA3 GLY 36 2HA GLY 36 15.345 17.989 5.878 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -12.215 -14.911 -7.278 2 H2 GLY 1 2H GLY 1 -11.192 -15.185 -6.023 3 H3 GLY 1 3H GLY 1 -11.545 -16.395 -7.082 4 HA2 GLY 1 1HA GLY 1 -9.367 -15.601 -7.577 5 HA3 GLY 1 2HA GLY 1 -10.481 -15.152 -8.883 6 H SER 2 H SER 2 -7.935 -13.989 -7.410 7 HA SER 2 HA SER 2 -8.577 -11.438 -6.367 8 HB2 SER 2 1HB SER 2 -6.037 -12.303 -7.795 9 HB3 SER 2 2HB SER 2 -6.217 -10.918 -6.700 10 HG SER 2 HG SER 2 -5.355 -12.781 -5.641 11 H SER 3 H SER 3 -8.419 -9.360 -7.218 12 HA SER 3 HA SER 3 -9.033 -7.711 -8.631 13 HB2 SER 3 1HB SER 3 -7.629 -9.251 -10.832 14 HB3 SER 3 2HB SER 3 -8.121 -7.552 -10.880 15 HG SER 3 HG SER 3 -5.873 -7.974 -10.293 16 H GLY 4 H GLY 4 -10.854 -9.821 -8.075 17 HA2 GLY 4 1HA GLY 4 -12.936 -9.470 -10.087 18 HA3 GLY 4 2HA GLY 4 -12.164 -11.054 -10.151 19 H SER 5 H SER 5 -13.407 -12.520 -9.171 20 HA SER 5 HA SER 5 -15.686 -11.890 -7.653 21 HB2 SER 5 1HB SER 5 -15.925 -14.350 -7.441 22 HB3 SER 5 2HB SER 5 -15.569 -13.811 -9.088 23 HG SER 5 HG SER 5 -14.291 -15.597 -8.530 24 H SER 6 H SER 6 -12.492 -12.326 -6.374 25 HA SER 6 HA SER 6 -13.654 -12.314 -3.619 26 HB2 SER 6 1HB SER 6 -11.684 -13.496 -2.781 27 HB3 SER 6 2HB SER 6 -12.628 -14.441 -3.933 28 HG SER 6 HG SER 6 -10.111 -13.204 -4.291 29 H GLY 7 H GLY 7 -12.907 -10.082 -5.503 30 HA2 GLY 7 1HA GLY 7 -12.308 -7.885 -5.100 31 HA3 GLY 7 2HA GLY 7 -11.871 -8.319 -3.450 32 H LYS 8 H LYS 8 -10.090 -6.849 -3.679 33 HA LYS 8 HA LYS 8 -7.641 -8.094 -4.763 34 HB2 LYS 8 1HB LYS 8 -8.678 -6.640 -6.584 35 HB3 LYS 8 2HB LYS 8 -8.412 -5.241 -5.535 36 HG2 LYS 8 1HG LYS 8 -5.969 -5.716 -5.575 37 HG3 LYS 8 2HG LYS 8 -6.279 -7.130 -6.609 38 HD2 LYS 8 1HD LYS 8 -7.327 -5.595 -8.307 39 HD3 LYS 8 2HD LYS 8 -6.891 -4.208 -7.278 40 HE2 LYS 8 1HE LYS 8 -4.516 -4.869 -7.395 41 HE3 LYS 8 2HE LYS 8 -4.954 -6.277 -8.378 42 HZ1 LYS 8 3HZ LYS 8 -5.353 -3.445 -9.202 43 HZ2 LYS 8 1HZ LYS 8 -5.746 -4.752 -10.102 44 HZ3 LYS 8 2HZ LYS 8 -4.182 -4.431 -9.770 45 H THR 9 H THR 9 -5.843 -7.625 -3.596 46 HA THR 9 HA THR 9 -6.089 -6.132 -1.082 47 HB THR 9 HB THR 9 -3.553 -7.354 -2.210 48 HG1 THR 9 1HG THR 9 -5.579 -8.659 -0.706 49 HG21 THR 9 3HG2 THR 9 -4.581 -6.911 0.631 50 HG22 THR 9 1HG2 THR 9 -3.216 -6.088 -0.155 51 HG23 THR 9 2HG2 THR 9 -3.112 -7.816 0.207 52 H HIS 10 H HIS 10 -4.962 -4.235 -0.508 53 HA HIS 10 HA HIS 10 -4.101 -2.510 -2.762 54 HB2 HIS 10 1HB HIS 10 -4.546 -1.926 0.187 55 HB3 HIS 10 2HB HIS 10 -4.085 -0.745 -1.025 56 HD1 HIS 10 1HD HIS 10 -6.009 0.158 -2.634 57 HD2 HIS 10 2HD HIS 10 -7.110 -2.954 -0.028 58 HE1 HIS 10 1HE HIS 10 -8.558 0.037 -2.697 59 H LEU 11 H LEU 11 -1.970 -1.656 -2.944 60 HA LEU 11 HA LEU 11 0.145 -3.018 -1.332 61 HB2 LEU 11 1HB LEU 11 -0.297 -4.448 -3.159 62 HB3 LEU 11 2HB LEU 11 -0.401 -3.104 -4.303 63 HG LEU 11 HG LEU 11 2.072 -2.735 -4.036 64 HD11 LEU 11 1HD1 LEU 11 1.936 -5.406 -2.567 65 HD12 LEU 11 2HD1 LEU 11 2.387 -3.855 -1.830 66 HD13 LEU 11 3HD1 LEU 11 3.411 -4.567 -3.081 67 HD21 LEU 11 3HD2 LEU 11 1.141 -4.016 -5.905 68 HD22 LEU 11 1HD2 LEU 11 1.182 -5.503 -4.925 69 HD23 LEU 11 2HD2 LEU 11 2.697 -4.686 -5.389 70 H CYS 12 H CYS 12 1.886 -1.920 -0.882 71 HA CYS 12 HA CYS 12 2.368 0.829 -1.751 72 HB2 CYS 12 1HB CYS 12 2.865 -0.002 0.532 73 HB3 CYS 12 2HB CYS 12 4.028 -1.150 -0.146 74 H ASP 13 H ASP 13 3.388 1.348 -3.596 75 HA ASP 13 HA ASP 13 4.778 -0.658 -5.226 76 HB2 ASP 13 1HB ASP 13 3.217 1.049 -6.141 77 HB3 ASP 13 2HB ASP 13 4.354 2.316 -5.671 78 H MET 14 H MET 14 5.756 1.167 -2.616 79 HA MET 14 HA MET 14 8.471 1.841 -3.661 80 HB2 MET 14 1HB MET 14 6.827 2.827 -1.315 81 HB3 MET 14 2HB MET 14 8.491 3.335 -1.641 82 HG2 MET 14 1HG MET 14 7.851 4.137 -3.852 83 HG3 MET 14 2HG MET 14 6.178 3.657 -3.605 84 HE1 MET 14 3HE MET 14 4.357 5.100 -2.568 85 HE2 MET 14 1HE MET 14 5.068 4.502 -1.055 86 HE3 MET 14 2HE MET 14 4.673 6.229 -1.233 87 H CYS 15 H CYS 15 6.913 0.073 -1.030 88 HA CYS 15 HA CYS 15 9.495 -1.338 -0.560 89 HB2 CYS 15 1HB CYS 15 9.212 -1.400 1.804 90 HB3 CYS 15 2HB CYS 15 9.262 0.263 1.238 91 H GLY 16 H GLY 16 6.293 -1.726 -1.448 92 HA2 GLY 16 1HA GLY 16 5.408 -3.715 -2.277 93 HA3 GLY 16 2HA GLY 16 6.730 -4.611 -1.553 94 H LYS 17 H LYS 17 5.212 -2.745 0.839 95 HA LYS 17 HA LYS 17 3.982 -5.031 2.148 96 HB2 LYS 17 1HB LYS 17 3.917 -2.045 2.760 97 HB3 LYS 17 2HB LYS 17 3.232 -3.292 3.807 98 HG2 LYS 17 1HG LYS 17 5.470 -4.360 4.015 99 HG3 LYS 17 2HG LYS 17 6.166 -3.098 2.984 100 HD2 LYS 17 1HD LYS 17 5.317 -1.389 4.665 101 HD3 LYS 17 2HD LYS 17 4.918 -2.728 5.745 102 HE2 LYS 17 1HE LYS 17 7.682 -2.109 4.591 103 HE3 LYS 17 2HE LYS 17 7.137 -1.641 6.203 104 HZ1 LYS 17 3HZ LYS 17 6.884 -4.011 6.738 105 HZ2 LYS 17 1HZ LYS 17 8.420 -3.679 6.303 106 HZ3 LYS 17 2HZ LYS 17 7.432 -4.441 5.256 107 H LYS 18 H LYS 18 1.926 -5.565 2.487 108 HA LYS 18 HA LYS 18 -0.109 -4.434 0.626 109 HB2 LYS 18 1HB LYS 18 0.435 -7.195 1.707 110 HB3 LYS 18 2HB LYS 18 -1.180 -6.764 1.155 111 HG2 LYS 18 1HG LYS 18 -0.409 -6.207 -1.060 112 HG3 LYS 18 2HG LYS 18 1.288 -6.332 -0.571 113 HD2 LYS 18 1HD LYS 18 0.994 -8.744 -0.110 114 HD3 LYS 18 2HD LYS 18 -0.712 -8.635 -0.609 115 HE2 LYS 18 1HE LYS 18 0.005 -7.887 -2.870 116 HE3 LYS 18 2HE LYS 18 1.699 -7.984 -2.371 117 HZ1 LYS 18 3HZ LYS 18 1.015 -9.987 -3.562 118 HZ2 LYS 18 1HZ LYS 18 -0.173 -10.293 -2.486 119 HZ3 LYS 18 2HZ LYS 18 1.394 -10.379 -2.024 120 H PHE 19 H PHE 19 -2.142 -4.004 1.213 121 HA PHE 19 HA PHE 19 -2.812 -3.727 4.108 122 HB2 PHE 19 1HB PHE 19 -2.920 -1.577 1.959 123 HB3 PHE 19 2HB PHE 19 -3.529 -1.389 3.595 124 HD1 PHE 19 2HD PHE 19 -1.926 -1.498 5.558 125 HD2 PHE 19 1HD PHE 19 -0.554 -1.408 1.475 126 HE1 PHE 19 2HE PHE 19 0.357 -0.905 6.339 127 HE2 PHE 19 1HE PHE 19 1.725 -0.826 2.256 128 HZ PHE 19 HZ PHE 19 2.191 -0.591 4.689 129 H LYS 20 H LYS 20 -5.001 -3.427 4.616 130 HA LYS 20 HA LYS 20 -6.822 -4.993 2.995 131 HB2 LYS 20 1HB LYS 20 -8.397 -4.646 4.817 132 HB3 LYS 20 2HB LYS 20 -6.836 -5.181 5.421 133 HG2 LYS 20 1HG LYS 20 -6.351 -3.131 6.448 134 HG3 LYS 20 2HG LYS 20 -7.368 -2.210 5.344 135 HD2 LYS 20 1HD LYS 20 -9.405 -3.273 6.393 136 HD3 LYS 20 2HD LYS 20 -8.336 -4.029 7.580 137 HE2 LYS 20 1HE LYS 20 -9.373 -2.021 8.490 138 HE3 LYS 20 2HE LYS 20 -7.624 -1.802 8.383 139 HZ1 LYS 20 3HZ LYS 20 -7.890 -0.365 6.538 140 HZ2 LYS 20 1HZ LYS 20 -9.086 0.097 7.547 141 HZ3 LYS 20 2HZ LYS 20 -9.420 -0.829 6.227 142 H SER 21 H SER 21 -6.316 -1.562 3.187 143 HA SER 21 HA SER 21 -8.694 -0.992 1.488 144 HB2 SER 21 1HB SER 21 -8.123 0.522 4.060 145 HB3 SER 21 2HB SER 21 -9.498 0.737 2.975 146 HG SER 21 HG SER 21 -10.207 -1.363 3.577 147 H LYS 22 H LYS 22 -8.567 0.961 0.326 148 HA LYS 22 HA LYS 22 -5.989 2.001 -0.322 149 HB2 LYS 22 1HB LYS 22 -7.245 3.804 -1.526 150 HB3 LYS 22 2HB LYS 22 -7.646 2.161 -1.987 151 HG2 LYS 22 1HG LYS 22 -9.751 2.238 -0.756 152 HG3 LYS 22 2HG LYS 22 -9.318 3.786 -0.036 153 HD2 LYS 22 1HD LYS 22 -10.923 4.159 -1.787 154 HD3 LYS 22 2HD LYS 22 -9.373 4.861 -2.268 155 HE2 LYS 22 1HE LYS 22 -8.917 2.880 -3.699 156 HE3 LYS 22 2HE LYS 22 -10.440 2.143 -3.176 157 HZ1 LYS 22 3HZ LYS 22 -10.212 4.696 -4.687 158 HZ2 LYS 22 1HZ LYS 22 -11.617 4.014 -4.206 159 HZ3 LYS 22 2HZ LYS 22 -10.685 3.268 -5.315 160 H GLY 23 H GLY 23 -8.324 3.202 2.062 161 HA2 GLY 23 1HA GLY 23 -6.954 5.645 2.715 162 HA3 GLY 23 2HA GLY 23 -8.053 4.746 3.770 163 H THR 24 H THR 24 -6.692 2.323 4.089 164 HA THR 24 HA THR 24 -4.675 2.892 6.027 165 HB THR 24 HB THR 24 -5.089 0.249 4.577 166 HG1 THR 24 1HG THR 24 -6.468 1.430 6.752 167 HG21 THR 24 3HG2 THR 24 -4.223 0.878 7.430 168 HG22 THR 24 1HG2 THR 24 -3.144 0.361 6.122 169 HG23 THR 24 2HG2 THR 24 -4.410 -0.736 6.703 170 H LEU 25 H LEU 25 -4.401 1.766 2.607 171 HA LEU 25 HA LEU 25 -1.540 1.754 2.531 172 HB2 LEU 25 1HB LEU 25 -2.822 0.592 0.872 173 HB3 LEU 25 2HB LEU 25 -3.718 2.044 0.450 174 HG LEU 25 HG LEU 25 -1.633 3.060 -0.490 175 HD11 LEU 25 1HD1 LEU 25 0.062 1.802 0.845 176 HD12 LEU 25 2HD1 LEU 25 0.338 1.635 -0.886 177 HD13 LEU 25 3HD1 LEU 25 -0.417 0.310 0.012 178 HD21 LEU 25 3HD2 LEU 25 -3.240 1.790 -1.877 179 HD22 LEU 25 1HD2 LEU 25 -2.253 0.329 -1.628 180 HD23 LEU 25 2HD2 LEU 25 -1.579 1.711 -2.498 181 H LYS 26 H LYS 26 -3.887 4.433 1.797 182 HA LYS 26 HA LYS 26 -1.939 6.331 0.973 183 HB2 LYS 26 1HB LYS 26 -4.345 6.622 0.655 184 HB3 LYS 26 2HB LYS 26 -4.593 6.796 2.399 185 HG2 LYS 26 1HG LYS 26 -3.193 8.818 2.434 186 HG3 LYS 26 2HG LYS 26 -2.843 8.640 0.714 187 HD2 LYS 26 1HD LYS 26 -5.609 9.111 1.917 188 HD3 LYS 26 2HD LYS 26 -4.562 10.368 1.240 189 HE2 LYS 26 1HE LYS 26 -4.601 9.198 -0.966 190 HE3 LYS 26 2HE LYS 26 -5.712 7.996 -0.298 191 HZ1 LYS 26 3HZ LYS 26 -7.309 9.798 0.108 192 HZ2 LYS 26 1HZ LYS 26 -6.912 9.747 -1.474 193 HZ3 LYS 26 2HZ LYS 26 -6.281 10.905 -0.516 194 H SER 27 H SER 27 -3.220 5.785 4.283 195 HA SER 27 HA SER 27 -1.525 7.597 5.647 196 HB2 SER 27 1HB SER 27 -2.699 4.952 6.579 197 HB3 SER 27 2HB SER 27 -1.942 6.157 7.640 198 HG SER 27 HG SER 27 -4.228 6.409 7.530 199 H HIS 28 H HIS 28 -0.667 4.505 4.238 200 HA HIS 28 HA HIS 28 1.946 4.415 5.630 201 HB2 HIS 28 1HB HIS 28 0.857 2.303 5.276 202 HB3 HIS 28 2HB HIS 28 0.646 2.621 3.554 203 HD1 HIS 28 1HD HIS 28 3.524 1.947 6.050 204 HD2 HIS 28 2HD HIS 28 2.653 2.115 1.940 205 HE1 HIS 28 1HE HIS 28 5.624 1.155 4.867 206 H LYS 29 H LYS 29 0.719 5.063 2.295 207 HA LYS 29 HA LYS 29 3.251 5.483 1.057 208 HB2 LYS 29 1HB LYS 29 0.458 6.513 0.445 209 HB3 LYS 29 2HB LYS 29 1.862 6.948 -0.539 210 HG2 LYS 29 1HG LYS 29 2.345 4.545 -0.944 211 HG3 LYS 29 2HG LYS 29 0.887 4.101 -0.045 212 HD2 LYS 29 1HD LYS 29 -0.533 5.254 -1.660 213 HD3 LYS 29 2HD LYS 29 0.887 5.944 -2.470 214 HE2 LYS 29 1HE LYS 29 1.653 3.658 -3.080 215 HE3 LYS 29 2HE LYS 29 0.190 2.987 -2.353 216 HZ1 LYS 29 3HZ LYS 29 -1.117 4.279 -3.975 217 HZ2 LYS 29 1HZ LYS 29 -0.083 3.277 -4.745 218 HZ3 LYS 29 2HZ LYS 29 0.247 4.871 -4.651 219 H LEU 30 H LEU 30 1.296 7.762 2.934 220 HA LEU 30 HA LEU 30 2.839 10.115 2.485 221 HB2 LEU 30 1HB LEU 30 1.258 9.119 4.890 222 HB3 LEU 30 2HB LEU 30 1.947 10.736 4.808 223 HG LEU 30 HG LEU 30 -0.067 9.679 2.777 224 HD11 LEU 30 1HD1 LEU 30 -0.474 11.489 5.189 225 HD12 LEU 30 2HD1 LEU 30 -1.029 9.807 5.041 226 HD13 LEU 30 3HD1 LEU 30 -1.706 11.054 3.977 227 HD21 LEU 30 3HD2 LEU 30 1.294 11.514 1.889 228 HD22 LEU 30 1HD2 LEU 30 0.971 12.484 3.343 229 HD23 LEU 30 2HD2 LEU 30 -0.348 12.073 2.225 230 H LEU 31 H LEU 31 3.638 7.318 4.460 231 HA LEU 31 HA LEU 31 5.707 8.633 6.023 232 HB2 LEU 31 1HB LEU 31 5.388 5.665 5.465 233 HB3 LEU 31 2HB LEU 31 6.294 6.404 6.772 234 HG LEU 31 HG LEU 31 3.264 6.501 6.459 235 HD11 LEU 31 1HD1 LEU 31 4.144 4.273 7.039 236 HD12 LEU 31 2HD1 LEU 31 3.237 4.992 8.382 237 HD13 LEU 31 3HD1 LEU 31 5.017 4.972 8.421 238 HD21 LEU 31 3HD2 LEU 31 4.060 8.505 7.642 239 HD22 LEU 31 1HD2 LEU 31 5.047 7.496 8.725 240 HD23 LEU 31 2HD2 LEU 31 3.272 7.400 8.769 241 H HIS 32 H HIS 32 5.672 7.460 2.769 242 HA HIS 32 HA HIS 32 8.599 7.129 2.595 243 HB2 HIS 32 1HB HIS 32 6.335 6.835 0.598 244 HB3 HIS 32 2HB HIS 32 8.026 6.719 0.151 245 HD1 HIS 32 1HD HIS 32 9.461 4.682 1.359 246 HD2 HIS 32 2HD HIS 32 5.266 4.560 1.445 247 HE1 HIS 32 1HE HIS 32 8.857 2.266 1.808 248 H THR 33 H THR 33 6.778 9.875 2.801 249 HA THR 33 HA THR 33 8.662 11.438 1.106 250 HB THR 33 HB THR 33 6.728 11.224 -0.265 251 HG1 THR 33 1HG THR 33 6.354 13.348 -0.573 252 HG21 THR 33 3HG2 THR 33 5.075 12.313 2.054 253 HG22 THR 33 1HG2 THR 33 4.951 10.697 1.325 254 HG23 THR 33 2HG2 THR 33 4.510 12.123 0.380 255 H ALA 34 H ALA 34 9.044 13.564 1.702 256 HA ALA 34 HA ALA 34 8.842 14.215 4.536 257 HB1 ALA 34 1HB ALA 34 9.785 15.846 2.137 258 HB2 ALA 34 2HB ALA 34 10.040 16.252 3.847 259 HB3 ALA 34 3HB ALA 34 10.807 14.809 3.161 260 H ASP 35 H ASP 35 6.678 14.580 1.884 261 HA ASP 35 HA ASP 35 5.318 16.986 2.792 262 HB2 ASP 35 1HB ASP 35 5.435 16.135 0.431 263 HB3 ASP 35 2HB ASP 35 4.389 14.794 0.901 264 H GLY 36 H GLY 36 5.264 13.744 3.911 265 HA2 GLY 36 1HA GLY 36 2.523 13.493 4.814 266 HA3 GLY 36 2HA GLY 36 3.900 12.512 5.312 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 7.792 -19.823 -6.201 2 H2 GLY 1 2H GLY 1 7.556 -18.444 -7.050 3 H3 GLY 1 3H GLY 1 7.315 -19.897 -7.768 4 HA2 GLY 1 1HA GLY 1 5.200 -18.881 -7.242 5 HA3 GLY 1 2HA GLY 1 5.451 -20.385 -6.338 6 H SER 2 H SER 2 3.642 -18.384 -5.527 7 HA SER 2 HA SER 2 4.799 -16.759 -3.394 8 HB2 SER 2 1HB SER 2 2.441 -16.158 -2.949 9 HB3 SER 2 2HB SER 2 2.918 -15.906 -4.635 10 HG SER 2 HG SER 2 0.862 -16.959 -4.401 11 H SER 3 H SER 3 4.062 -16.859 -1.155 12 HA SER 3 HA SER 3 4.268 -19.544 -0.035 13 HB2 SER 3 1HB SER 3 4.304 -18.315 2.122 14 HB3 SER 3 2HB SER 3 5.515 -17.747 0.960 15 HG SER 3 HG SER 3 4.382 -16.010 1.978 16 H GLY 4 H GLY 4 1.586 -17.573 -0.911 17 HA2 GLY 4 1HA GLY 4 -0.384 -19.470 -0.174 18 HA3 GLY 4 2HA GLY 4 -0.342 -18.223 1.075 19 H SER 5 H SER 5 -2.652 -18.487 -0.187 20 HA SER 5 HA SER 5 -3.018 -17.064 -2.628 21 HB2 SER 5 1HB SER 5 -5.036 -17.634 -0.426 22 HB3 SER 5 2HB SER 5 -5.407 -17.166 -2.096 23 HG SER 5 HG SER 5 -5.509 -19.445 -1.786 24 H SER 6 H SER 6 -3.838 -15.056 -3.114 25 HA SER 6 HA SER 6 -4.399 -13.034 -1.054 26 HB2 SER 6 1HB SER 6 -1.875 -13.036 -1.478 27 HB3 SER 6 2HB SER 6 -2.235 -12.528 -3.134 28 HG SER 6 HG SER 6 -2.883 -11.183 -0.694 29 H GLY 7 H GLY 7 -5.606 -11.242 -1.913 30 HA2 GLY 7 1HA GLY 7 -6.180 -10.752 -4.636 31 HA3 GLY 7 2HA GLY 7 -7.385 -11.903 -4.057 32 H LYS 8 H LYS 8 -7.713 -9.169 -4.974 33 HA LYS 8 HA LYS 8 -8.624 -7.139 -4.554 34 HB2 LYS 8 1HB LYS 8 -10.004 -8.453 -2.187 35 HB3 LYS 8 2HB LYS 8 -10.497 -6.976 -3.004 36 HG2 LYS 8 1HG LYS 8 -10.526 -9.747 -4.238 37 HG3 LYS 8 2HG LYS 8 -11.897 -8.840 -3.598 38 HD2 LYS 8 1HD LYS 8 -11.336 -6.994 -5.295 39 HD3 LYS 8 2HD LYS 8 -10.216 -8.161 -6.049 40 HE2 LYS 8 1HE LYS 8 -12.099 -9.786 -6.232 41 HE3 LYS 8 2HE LYS 8 -13.174 -8.593 -5.491 42 HZ1 LYS 8 3HZ LYS 8 -11.773 -8.234 -8.095 43 HZ2 LYS 8 1HZ LYS 8 -12.772 -7.135 -7.410 44 HZ3 LYS 8 2HZ LYS 8 -13.360 -8.567 -7.924 45 H THR 9 H THR 9 -6.108 -7.969 -2.986 46 HA THR 9 HA THR 9 -6.047 -6.247 -0.675 47 HB THR 9 HB THR 9 -3.523 -7.255 -1.962 48 HG1 THR 9 1HG THR 9 -3.883 -9.310 -1.330 49 HG21 THR 9 3HG2 THR 9 -4.631 -7.216 0.883 50 HG22 THR 9 1HG2 THR 9 -3.355 -6.172 0.218 51 HG23 THR 9 2HG2 THR 9 -3.067 -7.910 0.425 52 H HIS 10 H HIS 10 -4.854 -4.329 -0.343 53 HA HIS 10 HA HIS 10 -4.156 -2.753 -2.780 54 HB2 HIS 10 1HB HIS 10 -4.562 -1.916 0.112 55 HB3 HIS 10 2HB HIS 10 -4.098 -0.845 -1.204 56 HD1 HIS 10 1HD HIS 10 -6.030 -0.037 -2.840 57 HD2 HIS 10 2HD HIS 10 -7.135 -2.972 -0.036 58 HE1 HIS 10 1HE HIS 10 -8.578 -0.153 -2.891 59 H LEU 11 H LEU 11 -2.044 -1.786 -2.974 60 HA LEU 11 HA LEU 11 0.105 -3.115 -1.377 61 HB2 LEU 11 1HB LEU 11 -0.352 -4.536 -3.227 62 HB3 LEU 11 2HB LEU 11 -0.417 -3.179 -4.357 63 HG LEU 11 HG LEU 11 2.052 -2.839 -4.034 64 HD11 LEU 11 1HD1 LEU 11 2.313 -3.960 -1.822 65 HD12 LEU 11 2HD1 LEU 11 3.358 -4.680 -3.050 66 HD13 LEU 11 3HD1 LEU 11 1.867 -5.508 -2.566 67 HD21 LEU 11 3HD2 LEU 11 2.699 -4.787 -5.377 68 HD22 LEU 11 1HD2 LEU 11 1.159 -4.109 -5.926 69 HD23 LEU 11 2HD2 LEU 11 1.170 -5.599 -4.950 70 H CYS 12 H CYS 12 1.830 -2.000 -0.942 71 HA CYS 12 HA CYS 12 2.280 0.755 -1.796 72 HB2 CYS 12 1HB CYS 12 2.825 -0.104 0.464 73 HB3 CYS 12 2HB CYS 12 3.988 -1.226 -0.251 74 H ASP 13 H ASP 13 3.189 1.281 -3.683 75 HA ASP 13 HA ASP 13 4.667 -0.649 -5.326 76 HB2 ASP 13 1HB ASP 13 3.036 0.996 -6.230 77 HB3 ASP 13 2HB ASP 13 4.114 2.308 -5.744 78 H MET 14 H MET 14 5.562 1.195 -2.692 79 HA MET 14 HA MET 14 8.226 2.026 -3.737 80 HB2 MET 14 1HB MET 14 6.773 2.812 -1.196 81 HB3 MET 14 2HB MET 14 8.260 3.508 -1.819 82 HG2 MET 14 1HG MET 14 7.029 4.290 -3.834 83 HG3 MET 14 2HG MET 14 5.533 3.639 -3.151 84 HE1 MET 14 3HE MET 14 5.551 6.506 -4.128 85 HE2 MET 14 1HE MET 14 4.179 5.779 -3.255 86 HE3 MET 14 2HE MET 14 4.788 7.382 -2.776 87 H CYS 15 H CYS 15 6.787 0.127 -1.088 88 HA CYS 15 HA CYS 15 9.414 -1.196 -0.697 89 HB2 CYS 15 1HB CYS 15 9.254 -1.223 1.660 90 HB3 CYS 15 2HB CYS 15 9.223 0.426 1.066 91 H GLY 16 H GLY 16 6.285 -1.692 -1.590 92 HA2 GLY 16 1HA GLY 16 5.433 -3.709 -2.367 93 HA3 GLY 16 2HA GLY 16 6.776 -4.557 -1.625 94 H LYS 17 H LYS 17 5.113 -2.698 0.695 95 HA LYS 17 HA LYS 17 4.008 -5.055 2.028 96 HB2 LYS 17 1HB LYS 17 3.896 -2.082 2.693 97 HB3 LYS 17 2HB LYS 17 3.297 -3.367 3.750 98 HG2 LYS 17 1HG LYS 17 5.561 -4.352 3.891 99 HG3 LYS 17 2HG LYS 17 6.171 -3.121 2.769 100 HD2 LYS 17 1HD LYS 17 5.501 -1.343 4.409 101 HD3 LYS 17 2HD LYS 17 5.030 -2.609 5.545 102 HE2 LYS 17 1HE LYS 17 7.256 -1.725 6.063 103 HE3 LYS 17 2HE LYS 17 7.337 -3.440 5.649 104 HZ1 LYS 17 3HZ LYS 17 7.878 -1.308 3.644 105 HZ2 LYS 17 1HZ LYS 17 8.222 -2.889 3.518 106 HZ3 LYS 17 2HZ LYS 17 9.069 -1.971 4.572 107 H LYS 18 H LYS 18 1.976 -5.664 2.365 108 HA LYS 18 HA LYS 18 -0.123 -4.521 0.603 109 HB2 LYS 18 1HB LYS 18 0.464 -7.245 1.736 110 HB3 LYS 18 2HB LYS 18 -1.198 -6.824 1.348 111 HG2 LYS 18 1HG LYS 18 -0.637 -6.295 -0.953 112 HG3 LYS 18 2HG LYS 18 1.095 -6.499 -0.631 113 HD2 LYS 18 1HD LYS 18 0.784 -8.871 -0.157 114 HD3 LYS 18 2HD LYS 18 -0.978 -8.715 -0.326 115 HE2 LYS 18 1HE LYS 18 -0.638 -7.947 -2.700 116 HE3 LYS 18 2HE LYS 18 1.094 -8.261 -2.522 117 HZ1 LYS 18 3HZ LYS 18 -0.055 -10.148 -3.537 118 HZ2 LYS 18 1HZ LYS 18 -1.060 -10.301 -2.253 119 HZ3 LYS 18 2HZ LYS 18 0.544 -10.601 -2.087 120 H PHE 19 H PHE 19 -2.108 -3.993 1.229 121 HA PHE 19 HA PHE 19 -2.733 -3.674 4.130 122 HB2 PHE 19 1HB PHE 19 -2.852 -1.548 1.959 123 HB3 PHE 19 2HB PHE 19 -3.450 -1.337 3.594 124 HD1 PHE 19 2HD PHE 19 -1.827 -1.485 5.561 125 HD2 PHE 19 1HD PHE 19 -0.494 -1.376 1.464 126 HE1 PHE 19 2HE PHE 19 0.464 -0.910 6.322 127 HE2 PHE 19 1HE PHE 19 1.794 -0.824 2.228 128 HZ PHE 19 HZ PHE 19 2.285 -0.600 4.657 129 H LYS 20 H LYS 20 -4.905 -3.319 4.673 130 HA LYS 20 HA LYS 20 -6.769 -4.938 3.172 131 HB2 LYS 20 1HB LYS 20 -8.211 -4.686 5.054 132 HB3 LYS 20 2HB LYS 20 -6.567 -4.866 5.661 133 HG2 LYS 20 1HG LYS 20 -6.465 -2.342 5.939 134 HG3 LYS 20 2HG LYS 20 -8.167 -2.270 5.448 135 HD2 LYS 20 1HD LYS 20 -8.704 -3.850 7.350 136 HD3 LYS 20 2HD LYS 20 -7.036 -3.676 7.906 137 HE2 LYS 20 1HE LYS 20 -9.093 -1.433 7.590 138 HE3 LYS 20 2HE LYS 20 -8.636 -2.203 9.111 139 HZ1 LYS 20 3HZ LYS 20 -7.438 -0.150 8.856 140 HZ2 LYS 20 1HZ LYS 20 -6.848 -0.559 7.395 141 HZ3 LYS 20 2HZ LYS 20 -6.352 -1.363 8.744 142 H SER 21 H SER 21 -6.205 -1.543 3.113 143 HA SER 21 HA SER 21 -8.545 -1.026 1.378 144 HB2 SER 21 1HB SER 21 -9.486 -0.673 3.575 145 HB3 SER 21 2HB SER 21 -8.094 0.301 4.077 146 HG SER 21 HG SER 21 -10.033 1.486 3.386 147 H LYS 22 H LYS 22 -8.353 0.843 0.148 148 HA LYS 22 HA LYS 22 -5.766 1.954 -0.450 149 HB2 LYS 22 1HB LYS 22 -7.056 3.666 -1.730 150 HB3 LYS 22 2HB LYS 22 -7.403 2.004 -2.169 151 HG2 LYS 22 1HG LYS 22 -9.519 2.060 -0.896 152 HG3 LYS 22 2HG LYS 22 -9.167 3.712 -0.364 153 HD2 LYS 22 1HD LYS 22 -9.197 4.482 -2.722 154 HD3 LYS 22 2HD LYS 22 -9.542 2.821 -3.257 155 HE2 LYS 22 1HE LYS 22 -11.640 2.832 -1.922 156 HE3 LYS 22 2HE LYS 22 -11.296 4.483 -1.390 157 HZ1 LYS 22 3HZ LYS 22 -11.438 5.192 -3.720 158 HZ2 LYS 22 1HZ LYS 22 -12.826 4.460 -3.276 159 HZ3 LYS 22 2HZ LYS 22 -11.755 3.665 -4.212 160 H GLY 23 H GLY 23 -8.212 2.906 1.915 161 HA2 GLY 23 1HA GLY 23 -7.040 5.489 2.567 162 HA3 GLY 23 2HA GLY 23 -8.162 4.554 3.558 163 H THR 24 H THR 24 -6.645 2.166 3.894 164 HA THR 24 HA THR 24 -4.737 2.878 5.947 165 HB THR 24 HB THR 24 -4.999 0.199 4.528 166 HG1 THR 24 1HG THR 24 -6.656 1.533 6.278 167 HG21 THR 24 3HG2 THR 24 -3.045 0.435 6.070 168 HG22 THR 24 1HG2 THR 24 -4.243 -0.730 6.658 169 HG23 THR 24 2HG2 THR 24 -4.155 0.900 7.373 170 H LEU 25 H LEU 25 -4.346 1.721 2.556 171 HA LEU 25 HA LEU 25 -1.497 1.805 2.504 172 HB2 LEU 25 1HB LEU 25 -2.756 0.607 0.839 173 HB3 LEU 25 2HB LEU 25 -3.658 2.052 0.398 174 HG LEU 25 HG LEU 25 -1.579 3.081 -0.521 175 HD11 LEU 25 1HD1 LEU 25 0.410 1.690 -0.891 176 HD12 LEU 25 2HD1 LEU 25 -0.334 0.347 -0.008 177 HD13 LEU 25 3HD1 LEU 25 0.112 1.845 0.837 178 HD21 LEU 25 3HD2 LEU 25 -2.210 0.342 -1.643 179 HD22 LEU 25 1HD2 LEU 25 -1.476 1.698 -2.516 180 HD23 LEU 25 2HD2 LEU 25 -3.147 1.829 -1.934 181 H LYS 26 H LYS 26 -3.907 4.410 1.751 182 HA LYS 26 HA LYS 26 -2.056 6.387 0.934 183 HB2 LYS 26 1HB LYS 26 -4.495 6.599 0.705 184 HB3 LYS 26 2HB LYS 26 -4.677 6.696 2.462 185 HG2 LYS 26 1HG LYS 26 -3.342 8.813 2.466 186 HG3 LYS 26 2HG LYS 26 -3.163 8.676 0.714 187 HD2 LYS 26 1HD LYS 26 -4.916 10.252 1.134 188 HD3 LYS 26 2HD LYS 26 -5.687 8.782 0.514 189 HE2 LYS 26 1HE LYS 26 -6.281 8.114 2.833 190 HE3 LYS 26 2HE LYS 26 -5.453 9.542 3.466 191 HZ1 LYS 26 3HZ LYS 26 -7.845 9.916 3.280 192 HZ2 LYS 26 1HZ LYS 26 -7.827 9.612 1.677 193 HZ3 LYS 26 2HZ LYS 26 -7.061 10.927 2.271 194 H SER 27 H SER 27 -3.275 5.771 4.255 195 HA SER 27 HA SER 27 -1.604 7.619 5.608 196 HB2 SER 27 1HB SER 27 -2.779 4.987 6.573 197 HB3 SER 27 2HB SER 27 -2.055 6.227 7.618 198 HG SER 27 HG SER 27 -4.344 6.446 7.454 199 H HIS 28 H HIS 28 -0.696 4.574 4.183 200 HA HIS 28 HA HIS 28 1.892 4.474 5.627 201 HB2 HIS 28 1HB HIS 28 0.841 2.358 5.246 202 HB3 HIS 28 2HB HIS 28 0.606 2.694 3.534 203 HD1 HIS 28 1HD HIS 28 3.506 1.954 5.977 204 HD2 HIS 28 2HD HIS 28 2.584 2.204 1.882 205 HE1 HIS 28 1HE HIS 28 5.556 1.093 4.753 206 H LYS 29 H LYS 29 0.712 5.122 2.276 207 HA LYS 29 HA LYS 29 3.252 5.596 1.078 208 HB2 LYS 29 1HB LYS 29 0.437 6.531 0.428 209 HB3 LYS 29 2HB LYS 29 1.832 7.048 -0.526 210 HG2 LYS 29 1HG LYS 29 2.439 4.706 -0.994 211 HG3 LYS 29 2HG LYS 29 1.034 4.140 -0.072 212 HD2 LYS 29 1HD LYS 29 -0.501 5.207 -1.636 213 HD3 LYS 29 2HD LYS 29 0.842 6.019 -2.462 214 HE2 LYS 29 1HE LYS 29 1.767 3.815 -3.140 215 HE3 LYS 29 2HE LYS 29 0.386 3.013 -2.388 216 HZ1 LYS 29 3HZ LYS 29 -1.068 4.227 -3.946 217 HZ2 LYS 29 1HZ LYS 29 0.017 3.324 -4.767 218 HZ3 LYS 29 2HZ LYS 29 0.224 4.937 -4.649 219 H LEU 30 H LEU 30 1.229 7.832 2.928 220 HA LEU 30 HA LEU 30 2.707 10.226 2.482 221 HB2 LEU 30 1HB LEU 30 1.134 9.177 4.871 222 HB3 LEU 30 2HB LEU 30 1.783 10.812 4.813 223 HG LEU 30 HG LEU 30 -0.179 9.735 2.743 224 HD11 LEU 30 1HD1 LEU 30 -0.665 11.483 5.186 225 HD12 LEU 30 2HD1 LEU 30 -1.170 9.792 4.998 226 HD13 LEU 30 3HD1 LEU 30 -1.870 11.039 3.952 227 HD21 LEU 30 3HD2 LEU 30 0.783 12.551 3.386 228 HD22 LEU 30 1HD2 LEU 30 -0.519 12.138 2.246 229 HD23 LEU 30 2HD2 LEU 30 1.137 11.624 1.909 230 H LEU 31 H LEU 31 3.587 7.459 4.437 231 HA LEU 31 HA LEU 31 5.553 8.862 6.070 232 HB2 LEU 31 1HB LEU 31 5.265 5.874 5.611 233 HB3 LEU 31 2HB LEU 31 6.107 6.665 6.932 234 HG LEU 31 HG LEU 31 3.098 6.740 6.466 235 HD11 LEU 31 1HD1 LEU 31 4.750 5.294 8.572 236 HD12 LEU 31 2HD1 LEU 31 3.948 4.537 7.177 237 HD13 LEU 31 3HD1 LEU 31 2.975 5.306 8.442 238 HD21 LEU 31 3HD2 LEU 31 2.986 7.726 8.737 239 HD22 LEU 31 1HD2 LEU 31 3.829 8.792 7.608 240 HD23 LEU 31 2HD2 LEU 31 4.762 7.829 8.778 241 H HIS 32 H HIS 32 5.705 7.619 2.847 242 HA HIS 32 HA HIS 32 8.540 6.939 2.906 243 HB2 HIS 32 1HB HIS 32 6.397 7.011 0.777 244 HB3 HIS 32 2HB HIS 32 8.085 6.839 0.333 245 HD1 HIS 32 1HD HIS 32 9.403 4.707 1.672 246 HD2 HIS 32 2HD HIS 32 5.238 4.680 1.150 247 HE1 HIS 32 1HE HIS 32 8.705 2.282 1.873 248 H THR 33 H THR 33 7.117 9.996 2.854 249 HA THR 33 HA THR 33 9.667 11.170 1.961 250 HB THR 33 HB THR 33 8.363 11.051 -0.110 251 HG1 THR 33 1HG THR 33 8.710 13.164 -0.654 252 HG21 THR 33 3HG2 THR 33 6.412 12.462 -0.486 253 HG22 THR 33 1HG2 THR 33 6.410 12.991 1.206 254 HG23 THR 33 2HG2 THR 33 6.053 11.298 0.797 255 H ALA 34 H ALA 34 10.002 13.307 2.534 256 HA ALA 34 HA ALA 34 8.057 14.669 4.308 257 HB1 ALA 34 1HB ALA 34 9.699 13.525 5.770 258 HB2 ALA 34 2HB ALA 34 11.027 14.355 4.928 259 HB3 ALA 34 3HB ALA 34 9.846 15.287 5.875 260 H ASP 35 H ASP 35 9.327 14.837 1.409 261 HA ASP 35 HA ASP 35 10.514 17.547 1.471 262 HB2 ASP 35 1HB ASP 35 11.649 15.714 0.271 263 HB3 ASP 35 2HB ASP 35 10.236 15.519 -0.769 264 H GLY 36 H GLY 36 9.780 19.272 0.200 265 HA2 GLY 36 1HA GLY 36 7.438 19.321 -1.441 266 HA3 GLY 36 2HA GLY 36 7.006 19.845 0.187 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 -1.032 -15.200 -24.364 2 H2 GLY 1 2H GLY 1 -1.011 -14.056 -23.190 3 H3 GLY 1 3H GLY 1 -2.056 -15.311 -23.090 4 HA2 GLY 1 1HA GLY 1 -0.252 -16.882 -22.838 5 HA3 GLY 1 2HA GLY 1 0.881 -15.524 -22.947 6 H SER 2 H SER 2 1.254 -16.953 -20.803 7 HA SER 2 HA SER 2 -0.358 -16.428 -18.503 8 HB2 SER 2 1HB SER 2 2.579 -17.201 -18.654 9 HB3 SER 2 2HB SER 2 1.522 -17.352 -17.238 10 HG SER 2 HG SER 2 1.699 -19.325 -18.415 11 H SER 3 H SER 3 0.051 -15.162 -16.650 12 HA SER 3 HA SER 3 2.084 -13.022 -16.728 13 HB2 SER 3 1HB SER 3 0.134 -12.021 -17.850 14 HB3 SER 3 2HB SER 3 -0.890 -12.432 -16.461 15 HG SER 3 HG SER 3 -0.018 -10.238 -16.483 16 H GLY 4 H GLY 4 2.662 -12.250 -14.730 17 HA2 GLY 4 1HA GLY 4 1.884 -13.815 -12.344 18 HA3 GLY 4 2HA GLY 4 3.199 -12.648 -12.480 19 H SER 5 H SER 5 0.759 -10.911 -13.777 20 HA SER 5 HA SER 5 0.485 -9.242 -11.466 21 HB2 SER 5 1HB SER 5 -1.013 -9.204 -14.108 22 HB3 SER 5 2HB SER 5 -1.047 -7.916 -12.888 23 HG SER 5 HG SER 5 0.517 -7.537 -14.547 24 H SER 6 H SER 6 -1.266 -8.680 -10.207 25 HA SER 6 HA SER 6 -3.840 -10.100 -10.420 26 HB2 SER 6 1HB SER 6 -2.509 -11.603 -9.009 27 HB3 SER 6 2HB SER 6 -2.100 -10.258 -7.926 28 HG SER 6 HG SER 6 -3.914 -11.620 -7.267 29 H GLY 7 H GLY 7 -5.532 -9.004 -9.504 30 HA2 GLY 7 1HA GLY 7 -5.128 -6.176 -8.717 31 HA3 GLY 7 2HA GLY 7 -6.651 -6.972 -9.105 32 H LYS 8 H LYS 8 -5.175 -9.059 -6.974 33 HA LYS 8 HA LYS 8 -7.054 -8.364 -4.869 34 HB2 LYS 8 1HB LYS 8 -4.905 -10.513 -5.018 35 HB3 LYS 8 2HB LYS 8 -6.080 -10.345 -3.706 36 HG2 LYS 8 1HG LYS 8 -7.948 -10.651 -5.310 37 HG3 LYS 8 2HG LYS 8 -6.797 -10.788 -6.642 38 HD2 LYS 8 1HD LYS 8 -7.519 -12.992 -6.046 39 HD3 LYS 8 2HD LYS 8 -5.819 -12.822 -5.590 40 HE2 LYS 8 1HE LYS 8 -6.488 -12.433 -3.228 41 HE3 LYS 8 2HE LYS 8 -8.195 -12.532 -3.687 42 HZ1 LYS 8 3HZ LYS 8 -7.809 -14.843 -4.363 43 HZ2 LYS 8 1HZ LYS 8 -7.389 -14.646 -2.800 44 HZ3 LYS 8 2HZ LYS 8 -6.232 -14.752 -3.945 45 H THR 9 H THR 9 -6.802 -7.506 -2.960 46 HA THR 9 HA THR 9 -6.050 -6.275 -1.229 47 HB THR 9 HB THR 9 -3.178 -7.034 -1.630 48 HG1 THR 9 1HG THR 9 -5.152 -8.787 -0.611 49 HG21 THR 9 3HG2 THR 9 -3.461 -7.456 0.905 50 HG22 THR 9 1HG2 THR 9 -4.999 -6.599 0.755 51 HG23 THR 9 2HG2 THR 9 -3.470 -5.785 0.330 52 H HIS 10 H HIS 10 -4.961 -4.272 -0.579 53 HA HIS 10 HA HIS 10 -4.164 -2.573 -2.881 54 HB2 HIS 10 1HB HIS 10 -4.474 -1.852 0.054 55 HB3 HIS 10 2HB HIS 10 -4.168 -0.748 -1.273 56 HD1 HIS 10 1HD HIS 10 -6.263 -0.081 -2.804 57 HD2 HIS 10 2HD HIS 10 -7.001 -2.918 0.211 58 HE1 HIS 10 1HE HIS 10 -8.801 -0.255 -2.592 59 H LEU 11 H LEU 11 -2.034 -1.915 -3.223 60 HA LEU 11 HA LEU 11 0.055 -3.174 -1.485 61 HB2 LEU 11 1HB LEU 11 -0.420 -4.662 -3.267 62 HB3 LEU 11 2HB LEU 11 -0.391 -3.364 -4.468 63 HG LEU 11 HG LEU 11 2.074 -3.103 -4.089 64 HD11 LEU 11 1HD1 LEU 11 3.293 -4.921 -2.958 65 HD12 LEU 11 2HD1 LEU 11 1.760 -5.659 -2.452 66 HD13 LEU 11 3HD1 LEU 11 2.253 -4.078 -1.811 67 HD21 LEU 11 3HD2 LEU 11 2.697 -5.147 -5.296 68 HD22 LEU 11 1HD2 LEU 11 1.189 -4.472 -5.931 69 HD23 LEU 11 2HD2 LEU 11 1.142 -5.896 -4.866 70 H CYS 12 H CYS 12 1.762 -2.082 -1.026 71 HA CYS 12 HA CYS 12 2.314 0.621 -1.981 72 HB2 CYS 12 1HB CYS 12 2.708 -0.183 0.349 73 HB3 CYS 12 2HB CYS 12 3.904 -1.323 -0.268 74 H ASP 13 H ASP 13 3.219 0.945 -3.956 75 HA ASP 13 HA ASP 13 4.930 -1.059 -5.250 76 HB2 ASP 13 1HB ASP 13 4.982 0.484 -7.110 77 HB3 ASP 13 2HB ASP 13 3.331 0.230 -6.564 78 H MET 14 H MET 14 5.538 1.048 -2.773 79 HA MET 14 HA MET 14 8.215 1.951 -3.713 80 HB2 MET 14 1HB MET 14 6.633 2.697 -1.239 81 HB3 MET 14 2HB MET 14 8.140 3.415 -1.771 82 HG2 MET 14 1HG MET 14 7.027 4.220 -3.826 83 HG3 MET 14 2HG MET 14 5.504 3.503 -3.287 84 HE1 MET 14 3HE MET 14 4.725 7.286 -2.911 85 HE2 MET 14 1HE MET 14 5.709 6.508 -4.176 86 HE3 MET 14 2HE MET 14 4.220 5.724 -3.597 87 H CYS 15 H CYS 15 6.739 0.029 -1.102 88 HA CYS 15 HA CYS 15 9.393 -1.204 -0.596 89 HB2 CYS 15 1HB CYS 15 9.177 -1.199 1.736 90 HB3 CYS 15 2HB CYS 15 9.058 0.441 1.125 91 H GLY 16 H GLY 16 6.257 -1.818 -1.530 92 HA2 GLY 16 1HA GLY 16 5.549 -3.892 -2.341 93 HA3 GLY 16 2HA GLY 16 6.859 -4.681 -1.485 94 H LYS 17 H LYS 17 5.031 -2.774 0.655 95 HA LYS 17 HA LYS 17 3.902 -5.123 1.999 96 HB2 LYS 17 1HB LYS 17 3.843 -2.147 2.640 97 HB3 LYS 17 2HB LYS 17 3.174 -3.401 3.688 98 HG2 LYS 17 1HG LYS 17 5.402 -4.460 3.889 99 HG3 LYS 17 2HG LYS 17 6.076 -3.249 2.781 100 HD2 LYS 17 1HD LYS 17 5.385 -1.450 4.412 101 HD3 LYS 17 2HD LYS 17 4.902 -2.720 5.540 102 HE2 LYS 17 1HE LYS 17 7.129 -1.851 6.079 103 HE3 LYS 17 2HE LYS 17 7.210 -3.562 5.646 104 HZ1 LYS 17 3HZ LYS 17 7.756 -1.415 3.662 105 HZ2 LYS 17 1HZ LYS 17 8.111 -2.991 3.529 106 HZ3 LYS 17 2HZ LYS 17 8.947 -2.076 4.594 107 H LYS 18 H LYS 18 1.887 -5.790 2.197 108 HA LYS 18 HA LYS 18 -0.235 -4.543 0.571 109 HB2 LYS 18 1HB LYS 18 0.294 -7.248 1.776 110 HB3 LYS 18 2HB LYS 18 -1.373 -6.758 1.537 111 HG2 LYS 18 1HG LYS 18 -0.947 -6.276 -0.845 112 HG3 LYS 18 2HG LYS 18 0.754 -6.755 -0.651 113 HD2 LYS 18 1HD LYS 18 0.138 -9.018 -0.099 114 HD3 LYS 18 2HD LYS 18 -1.572 -8.584 0.041 115 HE2 LYS 18 1HE LYS 18 -1.251 -7.779 -2.485 116 HE3 LYS 18 2HE LYS 18 0.097 -8.920 -2.458 117 HZ1 LYS 18 3HZ LYS 18 -2.745 -9.545 -1.803 118 HZ2 LYS 18 1HZ LYS 18 -1.520 -10.643 -1.764 119 HZ3 LYS 18 2HZ LYS 18 -1.980 -9.969 -3.184 120 H PHE 19 H PHE 19 -2.142 -3.870 1.232 121 HA PHE 19 HA PHE 19 -2.754 -3.563 4.134 122 HB2 PHE 19 1HB PHE 19 -2.824 -1.412 1.983 123 HB3 PHE 19 2HB PHE 19 -3.420 -1.203 3.620 124 HD1 PHE 19 2HD PHE 19 -1.804 -1.405 5.588 125 HD2 PHE 19 1HD PHE 19 -0.461 -1.298 1.494 126 HE1 PHE 19 2HE PHE 19 0.502 -0.899 6.356 127 HE2 PHE 19 1HE PHE 19 1.839 -0.813 2.265 128 HZ PHE 19 HZ PHE 19 2.333 -0.626 4.697 129 H LYS 20 H LYS 20 -4.927 -3.387 4.693 130 HA LYS 20 HA LYS 20 -6.755 -4.783 2.900 131 HB2 LYS 20 1HB LYS 20 -8.211 -4.953 4.807 132 HB3 LYS 20 2HB LYS 20 -6.561 -5.348 5.278 133 HG2 LYS 20 1HG LYS 20 -6.304 -3.073 6.281 134 HG3 LYS 20 2HG LYS 20 -7.966 -2.682 5.802 135 HD2 LYS 20 1HD LYS 20 -8.813 -4.541 7.211 136 HD3 LYS 20 2HD LYS 20 -7.147 -4.934 7.693 137 HE2 LYS 20 1HE LYS 20 -6.900 -2.661 8.669 138 HE3 LYS 20 2HE LYS 20 -8.554 -2.268 8.185 139 HZ1 LYS 20 3HZ LYS 20 -8.455 -2.974 10.506 140 HZ2 LYS 20 1HZ LYS 20 -7.808 -4.414 10.102 141 HZ3 LYS 20 2HZ LYS 20 -9.337 -4.050 9.656 142 H SER 21 H SER 21 -6.141 -1.506 3.155 143 HA SER 21 HA SER 21 -8.553 -0.844 1.606 144 HB2 SER 21 1HB SER 21 -9.362 -0.448 3.855 145 HB3 SER 21 2HB SER 21 -7.918 0.496 4.259 146 HG SER 21 HG SER 21 -9.857 1.721 3.642 147 H LYS 22 H LYS 22 -8.324 0.964 0.333 148 HA LYS 22 HA LYS 22 -5.718 1.988 -0.364 149 HB2 LYS 22 1HB LYS 22 -7.010 3.699 -1.653 150 HB3 LYS 22 2HB LYS 22 -7.384 2.029 -2.052 151 HG2 LYS 22 1HG LYS 22 -9.494 2.124 -0.827 152 HG3 LYS 22 2HG LYS 22 -9.089 3.709 -0.171 153 HD2 LYS 22 1HD LYS 22 -10.693 3.985 -1.937 154 HD3 LYS 22 2HD LYS 22 -9.152 4.686 -2.450 155 HE2 LYS 22 1HE LYS 22 -8.671 2.646 -3.791 156 HE3 LYS 22 2HE LYS 22 -10.189 1.920 -3.238 157 HZ1 LYS 22 3HZ LYS 22 -11.380 3.733 -4.350 158 HZ2 LYS 22 1HZ LYS 22 -10.438 2.947 -5.425 159 HZ3 LYS 22 2HZ LYS 22 -9.980 4.406 -4.858 160 H GLY 23 H GLY 23 -8.094 3.036 2.016 161 HA2 GLY 23 1HA GLY 23 -6.936 5.628 2.602 162 HA3 GLY 23 2HA GLY 23 -7.984 4.666 3.655 163 H THR 24 H THR 24 -6.512 2.356 4.064 164 HA THR 24 HA THR 24 -4.504 3.090 5.956 165 HB THR 24 HB THR 24 -4.832 0.379 4.620 166 HG1 THR 24 1HG THR 24 -6.211 0.006 6.451 167 HG21 THR 24 3HG2 THR 24 -3.886 1.172 7.413 168 HG22 THR 24 1HG2 THR 24 -2.827 0.646 6.090 169 HG23 THR 24 2HG2 THR 24 -4.010 -0.484 6.769 170 H LEU 25 H LEU 25 -4.202 1.832 2.582 171 HA LEU 25 HA LEU 25 -1.358 1.864 2.462 172 HB2 LEU 25 1HB LEU 25 -2.693 0.693 0.831 173 HB3 LEU 25 2HB LEU 25 -3.558 2.164 0.401 174 HG LEU 25 HG LEU 25 -1.464 3.121 -0.560 175 HD11 LEU 25 1HD1 LEU 25 0.461 1.645 -0.982 176 HD12 LEU 25 2HD1 LEU 25 -0.305 0.351 -0.041 177 HD13 LEU 25 3HD1 LEU 25 0.222 1.852 0.754 178 HD21 LEU 25 3HD2 LEU 25 -2.199 0.401 -1.667 179 HD22 LEU 25 1HD2 LEU 25 -1.437 1.741 -2.551 180 HD23 LEU 25 2HD2 LEU 25 -3.093 1.920 -1.940 181 H LYS 26 H LYS 26 -3.734 4.509 1.743 182 HA LYS 26 HA LYS 26 -1.784 6.431 0.938 183 HB2 LYS 26 1HB LYS 26 -4.173 6.690 0.523 184 HB3 LYS 26 2HB LYS 26 -4.501 6.846 2.256 185 HG2 LYS 26 1HG LYS 26 -3.116 8.883 2.364 186 HG3 LYS 26 2HG LYS 26 -2.723 8.736 0.653 187 HD2 LYS 26 1HD LYS 26 -5.502 9.158 1.842 188 HD3 LYS 26 2HD LYS 26 -4.506 10.428 1.143 189 HE2 LYS 26 1HE LYS 26 -5.590 8.016 -0.389 190 HE3 LYS 26 2HE LYS 26 -6.341 9.608 -0.350 191 HZ1 LYS 26 3HZ LYS 26 -4.326 10.530 -1.364 192 HZ2 LYS 26 1HZ LYS 26 -4.966 9.374 -2.315 193 HZ3 LYS 26 2HZ LYS 26 -3.632 9.050 -1.437 194 H SER 27 H SER 27 -3.200 5.880 4.203 195 HA SER 27 HA SER 27 -1.583 7.712 5.635 196 HB2 SER 27 1HB SER 27 -2.783 5.065 6.519 197 HB3 SER 27 2HB SER 27 -2.066 6.266 7.610 198 HG SER 27 HG SER 27 -4.348 6.520 7.413 199 H HIS 28 H HIS 28 -0.691 4.584 4.334 200 HA HIS 28 HA HIS 28 1.860 4.450 5.812 201 HB2 HIS 28 1HB HIS 28 0.830 2.364 5.326 202 HB3 HIS 28 2HB HIS 28 0.578 2.772 3.636 203 HD1 HIS 28 1HD HIS 28 3.524 1.932 5.996 204 HD2 HIS 28 2HD HIS 28 2.478 2.225 1.933 205 HE1 HIS 28 1HE HIS 28 5.501 1.003 4.704 206 H LYS 29 H LYS 29 0.825 5.255 2.446 207 HA LYS 29 HA LYS 29 3.471 5.774 1.475 208 HB2 LYS 29 1HB LYS 29 0.685 6.493 0.529 209 HB3 LYS 29 2HB LYS 29 2.120 7.143 -0.285 210 HG2 LYS 29 1HG LYS 29 3.015 4.874 -0.608 211 HG3 LYS 29 2HG LYS 29 1.578 4.170 0.154 212 HD2 LYS 29 1HD LYS 29 0.153 4.918 -1.637 213 HD3 LYS 29 2HD LYS 29 1.417 5.989 -2.280 214 HE2 LYS 29 1HE LYS 29 2.856 4.010 -2.734 215 HE3 LYS 29 2HE LYS 29 1.555 2.943 -2.205 216 HZ1 LYS 29 3HZ LYS 29 1.272 4.881 -4.442 217 HZ2 LYS 29 1HZ LYS 29 0.229 3.672 -4.064 218 HZ3 LYS 29 2HZ LYS 29 1.733 3.337 -4.657 219 H LEU 30 H LEU 30 1.296 7.907 3.238 220 HA LEU 30 HA LEU 30 2.793 10.328 2.946 221 HB2 LEU 30 1HB LEU 30 1.121 9.198 5.220 222 HB3 LEU 30 2HB LEU 30 1.784 10.827 5.250 223 HG LEU 30 HG LEU 30 -0.115 9.841 3.078 224 HD11 LEU 30 1HD1 LEU 30 -1.822 11.114 4.283 225 HD12 LEU 30 2HD1 LEU 30 -0.637 11.540 5.546 226 HD13 LEU 30 3HD1 LEU 30 -1.135 9.853 5.326 227 HD21 LEU 30 3HD2 LEU 30 1.252 11.736 2.332 228 HD22 LEU 30 1HD2 LEU 30 0.869 12.627 3.821 229 HD23 LEU 30 2HD2 LEU 30 -0.406 12.263 2.635 230 H LEU 31 H LEU 31 3.607 7.450 4.714 231 HA LEU 31 HA LEU 31 5.744 8.727 6.285 232 HB2 LEU 31 1HB LEU 31 5.301 5.762 5.835 233 HB3 LEU 31 2HB LEU 31 6.251 6.525 7.094 234 HG LEU 31 HG LEU 31 3.215 6.684 6.841 235 HD11 LEU 31 1HD1 LEU 31 3.201 5.251 8.824 236 HD12 LEU 31 2HD1 LEU 31 4.978 5.182 8.813 237 HD13 LEU 31 3HD1 LEU 31 4.044 4.458 7.484 238 HD21 LEU 31 3HD2 LEU 31 4.092 8.711 7.929 239 HD22 LEU 31 1HD2 LEU 31 5.071 7.714 9.032 240 HD23 LEU 31 2HD2 LEU 31 3.295 7.669 9.113 241 H HIS 32 H HIS 32 5.512 7.400 3.061 242 HA HIS 32 HA HIS 32 8.435 7.064 2.759 243 HB2 HIS 32 1HB HIS 32 6.112 6.863 0.810 244 HB3 HIS 32 2HB HIS 32 7.796 6.755 0.328 245 HD1 HIS 32 1HD HIS 32 9.178 4.720 1.944 246 HD2 HIS 32 2HD HIS 32 5.123 4.472 0.890 247 HE1 HIS 32 1HE HIS 32 8.597 2.252 2.016 248 H THR 33 H THR 33 5.959 9.535 2.037 249 HA THR 33 HA THR 33 7.761 11.244 0.526 250 HB THR 33 HB THR 33 5.996 12.997 0.924 251 HG1 THR 33 1HG THR 33 5.143 12.037 2.862 252 HG21 THR 33 3HG2 THR 33 5.977 11.550 -1.085 253 HG22 THR 33 1HG2 THR 33 4.337 11.949 -0.542 254 HG23 THR 33 2HG2 THR 33 5.013 10.340 -0.207 255 H ALA 34 H ALA 34 8.787 13.146 1.136 256 HA ALA 34 HA ALA 34 9.008 13.858 3.996 257 HB1 ALA 34 1HB ALA 34 11.388 12.992 2.287 258 HB2 ALA 34 2HB ALA 34 11.466 13.629 3.946 259 HB3 ALA 34 3HB ALA 34 10.687 12.068 3.636 260 H ASP 35 H ASP 35 10.241 15.844 4.352 261 HA ASP 35 HA ASP 35 9.671 17.861 2.308 262 HB2 ASP 35 1HB ASP 35 10.061 19.451 4.046 263 HB3 ASP 35 2HB ASP 35 9.041 18.165 4.670 264 H GLY 36 H GLY 36 12.357 15.944 2.861 265 HA2 GLY 36 1HA GLY 36 14.407 15.908 1.747 266 HA3 GLY 36 2HA GLY 36 14.075 17.499 1.073 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -6.477 -24.200 -14.572 2 H2 GLY 1 2H GLY 1 -7.864 -24.030 -15.429 3 H3 GLY 1 3H GLY 1 -7.686 -23.258 -13.995 4 HA2 GLY 1 1HA GLY 1 -6.130 -22.721 -16.443 5 HA3 GLY 1 2HA GLY 1 -7.426 -21.694 -15.801 6 H SER 2 H SER 2 -5.955 -19.929 -15.660 7 HA SER 2 HA SER 2 -3.501 -19.977 -14.198 8 HB2 SER 2 1HB SER 2 -5.289 -17.613 -14.878 9 HB3 SER 2 2HB SER 2 -3.580 -17.540 -14.398 10 HG SER 2 HG SER 2 -3.845 -17.464 -16.683 11 H SER 3 H SER 3 -2.929 -18.944 -12.237 12 HA SER 3 HA SER 3 -4.705 -19.560 -10.059 13 HB2 SER 3 1HB SER 3 -1.976 -18.231 -9.988 14 HB3 SER 3 2HB SER 3 -2.805 -19.037 -8.642 15 HG SER 3 HG SER 3 -1.267 -20.411 -9.650 16 H GLY 4 H GLY 4 -4.796 -16.776 -11.838 17 HA2 GLY 4 1HA GLY 4 -4.858 -14.690 -9.864 18 HA3 GLY 4 2HA GLY 4 -5.523 -14.610 -11.492 19 H SER 5 H SER 5 -6.747 -13.317 -9.426 20 HA SER 5 HA SER 5 -9.398 -14.623 -9.245 21 HB2 SER 5 1HB SER 5 -8.168 -15.319 -7.205 22 HB3 SER 5 2HB SER 5 -7.880 -13.616 -6.804 23 HG SER 5 HG SER 5 -9.743 -14.636 -5.763 24 H SER 6 H SER 6 -11.103 -13.175 -8.679 25 HA SER 6 HA SER 6 -10.770 -10.370 -9.476 26 HB2 SER 6 1HB SER 6 -13.201 -10.248 -9.000 27 HB3 SER 6 2HB SER 6 -12.775 -11.523 -10.153 28 HG SER 6 HG SER 6 -14.258 -12.257 -8.550 29 H GLY 7 H GLY 7 -10.647 -12.181 -6.504 30 HA2 GLY 7 1HA GLY 7 -11.054 -9.913 -4.685 31 HA3 GLY 7 2HA GLY 7 -10.420 -11.507 -4.274 32 H LYS 8 H LYS 8 -9.555 -8.442 -4.119 33 HA LYS 8 HA LYS 8 -6.652 -8.846 -4.715 34 HB2 LYS 8 1HB LYS 8 -8.386 -6.518 -5.662 35 HB3 LYS 8 2HB LYS 8 -6.618 -6.541 -5.720 36 HG2 LYS 8 1HG LYS 8 -6.683 -8.528 -7.192 37 HG3 LYS 8 2HG LYS 8 -8.458 -8.448 -7.200 38 HD2 LYS 8 1HD LYS 8 -8.358 -6.155 -8.149 39 HD3 LYS 8 2HD LYS 8 -6.576 -6.249 -8.169 40 HE2 LYS 8 1HE LYS 8 -6.707 -8.259 -9.598 41 HE3 LYS 8 2HE LYS 8 -8.474 -8.164 -9.579 42 HZ1 LYS 8 3HZ LYS 8 -7.555 -7.149 -11.597 43 HZ2 LYS 8 1HZ LYS 8 -6.669 -6.092 -10.726 44 HZ3 LYS 8 2HZ LYS 8 -8.301 -6.002 -10.709 45 H THR 9 H THR 9 -5.275 -7.209 -3.840 46 HA THR 9 HA THR 9 -6.145 -6.052 -1.213 47 HB THR 9 HB THR 9 -3.533 -7.514 -1.771 48 HG1 THR 9 1HG THR 9 -4.415 -9.153 -0.511 49 HG21 THR 9 3HG2 THR 9 -3.289 -5.907 0.060 50 HG22 THR 9 1HG2 THR 9 -3.342 -7.545 0.717 51 HG23 THR 9 2HG2 THR 9 -4.781 -6.510 0.825 52 H HIS 10 H HIS 10 -5.082 -4.078 -0.630 53 HA HIS 10 HA HIS 10 -3.998 -2.551 -2.892 54 HB2 HIS 10 1HB HIS 10 -4.498 -1.842 0.023 55 HB3 HIS 10 2HB HIS 10 -3.798 -0.743 -1.152 56 HD1 HIS 10 1HD HIS 10 -5.427 0.294 -2.994 57 HD2 HIS 10 2HD HIS 10 -7.158 -2.494 -0.361 58 HE1 HIS 10 1HE HIS 10 -7.943 0.474 -3.324 59 H LEU 11 H LEU 11 -1.885 -2.083 -3.297 60 HA LEU 11 HA LEU 11 0.202 -3.226 -1.484 61 HB2 LEU 11 1HB LEU 11 -0.206 -4.856 -3.126 62 HB3 LEU 11 2HB LEU 11 -0.308 -3.664 -4.427 63 HG LEU 11 HG LEU 11 2.144 -3.250 -4.236 64 HD11 LEU 11 1HD1 LEU 11 2.101 -5.629 -2.329 65 HD12 LEU 11 2HD1 LEU 11 2.521 -3.965 -1.877 66 HD13 LEU 11 3HD1 LEU 11 3.543 -4.854 -3.008 67 HD21 LEU 11 3HD2 LEU 11 1.226 -4.878 -5.843 68 HD22 LEU 11 1HD2 LEU 11 1.331 -6.161 -4.615 69 HD23 LEU 11 2HD2 LEU 11 2.811 -5.394 -5.242 70 H CYS 12 H CYS 12 1.871 -2.041 -1.083 71 HA CYS 12 HA CYS 12 2.244 0.610 -2.251 72 HB2 CYS 12 1HB CYS 12 2.462 -0.160 0.208 73 HB3 CYS 12 2HB CYS 12 3.987 -0.873 -0.263 74 H ASP 13 H ASP 13 3.075 0.513 -4.350 75 HA ASP 13 HA ASP 13 5.012 -1.337 -5.298 76 HB2 ASP 13 1HB ASP 13 3.465 0.093 -6.648 77 HB3 ASP 13 2HB ASP 13 4.447 1.501 -6.242 78 H MET 14 H MET 14 5.502 1.154 -3.060 79 HA MET 14 HA MET 14 8.210 1.979 -3.827 80 HB2 MET 14 1HB MET 14 6.446 2.555 -1.418 81 HB3 MET 14 2HB MET 14 8.003 3.312 -1.709 82 HG2 MET 14 1HG MET 14 7.228 4.379 -3.688 83 HG3 MET 14 2HG MET 14 5.717 3.475 -3.705 84 HE1 MET 14 3HE MET 14 4.551 7.173 -2.978 85 HE2 MET 14 1HE MET 14 5.951 6.690 -3.967 86 HE3 MET 14 2HE MET 14 4.421 5.788 -4.088 87 H CYS 15 H CYS 15 6.753 -0.054 -1.324 88 HA CYS 15 HA CYS 15 9.446 -1.065 -0.507 89 HB2 CYS 15 1HB CYS 15 8.709 -1.108 1.796 90 HB3 CYS 15 2HB CYS 15 8.689 0.521 1.120 91 H GLY 16 H GLY 16 6.157 -1.905 -1.333 92 HA2 GLY 16 1HA GLY 16 5.564 -4.018 -2.173 93 HA3 GLY 16 2HA GLY 16 6.877 -4.781 -1.286 94 H LYS 17 H LYS 17 5.210 -2.717 0.831 95 HA LYS 17 HA LYS 17 3.947 -4.926 2.253 96 HB2 LYS 17 1HB LYS 17 3.961 -1.916 2.714 97 HB3 LYS 17 2HB LYS 17 3.155 -3.072 3.779 98 HG2 LYS 17 1HG LYS 17 5.325 -4.263 4.119 99 HG3 LYS 17 2HG LYS 17 6.137 -3.045 3.118 100 HD2 LYS 17 1HD LYS 17 5.465 -1.276 4.720 101 HD3 LYS 17 2HD LYS 17 4.649 -2.498 5.725 102 HE2 LYS 17 1HE LYS 17 6.822 -3.714 5.963 103 HE3 LYS 17 2HE LYS 17 7.620 -2.455 5.013 104 HZ1 LYS 17 3HZ LYS 17 7.880 -2.081 7.401 105 HZ2 LYS 17 1HZ LYS 17 6.268 -2.015 7.627 106 HZ3 LYS 17 2HZ LYS 17 7.023 -0.855 6.754 107 H LYS 18 H LYS 18 1.887 -5.394 2.629 108 HA LYS 18 HA LYS 18 -0.136 -4.397 0.678 109 HB2 LYS 18 1HB LYS 18 0.374 -7.089 1.955 110 HB3 LYS 18 2HB LYS 18 -1.207 -6.684 1.291 111 HG2 LYS 18 1HG LYS 18 -0.314 -6.283 -0.914 112 HG3 LYS 18 2HG LYS 18 1.352 -6.410 -0.324 113 HD2 LYS 18 1HD LYS 18 0.984 -8.772 0.284 114 HD3 LYS 18 2HD LYS 18 -0.691 -8.672 -0.311 115 HE2 LYS 18 1HE LYS 18 0.155 -8.101 -2.580 116 HE3 LYS 18 2HE LYS 18 1.819 -8.184 -1.986 117 HZ1 LYS 18 3HZ LYS 18 1.456 -10.543 -1.489 118 HZ2 LYS 18 1HZ LYS 18 1.163 -10.258 -3.068 119 HZ3 LYS 18 2HZ LYS 18 -0.084 -10.470 -2.036 120 H PHE 19 H PHE 19 -2.142 -3.871 1.248 121 HA PHE 19 HA PHE 19 -2.850 -3.539 4.129 122 HB2 PHE 19 1HB PHE 19 -2.857 -1.404 1.962 123 HB3 PHE 19 2HB PHE 19 -3.448 -1.186 3.599 124 HD1 PHE 19 2HD PHE 19 -1.829 -1.380 5.562 125 HD2 PHE 19 1HD PHE 19 -0.493 -1.301 1.468 126 HE1 PHE 19 2HE PHE 19 0.469 -0.833 6.324 127 HE2 PHE 19 1HE PHE 19 1.803 -0.762 2.232 128 HZ PHE 19 HZ PHE 19 2.293 -0.540 4.659 129 H LYS 20 H LYS 20 -5.049 -3.174 4.594 130 HA LYS 20 HA LYS 20 -6.832 -4.779 2.982 131 HB2 LYS 20 1HB LYS 20 -6.711 -4.734 5.475 132 HB3 LYS 20 2HB LYS 20 -7.398 -3.103 5.464 133 HG2 LYS 20 1HG LYS 20 -9.490 -3.958 4.492 134 HG3 LYS 20 2HG LYS 20 -8.766 -5.557 4.269 135 HD2 LYS 20 1HD LYS 20 -10.236 -5.602 6.182 136 HD3 LYS 20 2HD LYS 20 -8.567 -5.816 6.728 137 HE2 LYS 20 1HE LYS 20 -8.476 -3.419 7.389 138 HE3 LYS 20 2HE LYS 20 -10.126 -3.186 6.796 139 HZ1 LYS 20 3HZ LYS 20 -10.088 -3.550 9.197 140 HZ2 LYS 20 1HZ LYS 20 -9.357 -4.998 9.025 141 HZ3 LYS 20 2HZ LYS 20 -10.882 -4.780 8.480 142 H SER 21 H SER 21 -6.443 -1.301 3.277 143 HA SER 21 HA SER 21 -8.543 -0.848 1.216 144 HB2 SER 21 1HB SER 21 -9.635 -0.571 3.404 145 HB3 SER 21 2HB SER 21 -8.402 0.610 3.881 146 HG SER 21 HG SER 21 -10.393 1.523 3.028 147 H LYS 22 H LYS 22 -8.410 1.206 0.177 148 HA LYS 22 HA LYS 22 -5.764 2.093 -0.483 149 HB2 LYS 22 1HB LYS 22 -8.097 2.278 -1.765 150 HB3 LYS 22 2HB LYS 22 -8.198 3.832 -0.934 151 HG2 LYS 22 1HG LYS 22 -6.000 4.471 -1.917 152 HG3 LYS 22 2HG LYS 22 -5.915 2.904 -2.740 153 HD2 LYS 22 1HD LYS 22 -8.024 3.434 -3.949 154 HD3 LYS 22 2HD LYS 22 -8.077 5.023 -3.182 155 HE2 LYS 22 1HE LYS 22 -5.806 4.014 -4.964 156 HE3 LYS 22 2HE LYS 22 -7.168 4.977 -5.540 157 HZ1 LYS 22 3HZ LYS 22 -5.273 6.389 -5.069 158 HZ2 LYS 22 1HZ LYS 22 -5.188 5.889 -3.520 159 HZ3 LYS 22 2HZ LYS 22 -6.475 6.762 -4.035 160 H GLY 23 H GLY 23 -8.151 3.324 1.835 161 HA2 GLY 23 1HA GLY 23 -6.753 5.739 2.583 162 HA3 GLY 23 2HA GLY 23 -7.970 4.887 3.538 163 H THR 24 H THR 24 -6.568 2.359 3.763 164 HA THR 24 HA THR 24 -4.727 2.846 5.923 165 HB THR 24 HB THR 24 -4.946 0.282 4.315 166 HG1 THR 24 1HG THR 24 -6.610 1.118 6.449 167 HG21 THR 24 3HG2 THR 24 -4.462 -0.795 6.450 168 HG22 THR 24 1HG2 THR 24 -4.435 0.784 7.275 169 HG23 THR 24 2HG2 THR 24 -3.195 0.387 6.071 170 H LEU 25 H LEU 25 -4.240 1.793 2.503 171 HA LEU 25 HA LEU 25 -1.388 1.779 2.545 172 HB2 LEU 25 1HB LEU 25 -2.637 0.696 0.790 173 HB3 LEU 25 2HB LEU 25 -3.479 2.186 0.389 174 HG LEU 25 HG LEU 25 -1.332 3.178 -0.428 175 HD11 LEU 25 1HD1 LEU 25 0.613 1.710 -0.808 176 HD12 LEU 25 2HD1 LEU 25 -0.219 0.370 -0.010 177 HD13 LEU 25 3HD1 LEU 25 0.261 1.811 0.915 178 HD21 LEU 25 3HD2 LEU 25 -1.244 1.927 -2.489 179 HD22 LEU 25 1HD2 LEU 25 -2.926 2.019 -1.929 180 HD23 LEU 25 2HD2 LEU 25 -1.993 0.516 -1.718 181 H LYS 26 H LYS 26 -3.682 4.444 1.717 182 HA LYS 26 HA LYS 26 -1.753 6.439 1.134 183 HB2 LYS 26 1HB LYS 26 -4.158 6.643 0.645 184 HB3 LYS 26 2HB LYS 26 -4.532 6.687 2.371 185 HG2 LYS 26 1HG LYS 26 -3.239 8.796 2.610 186 HG3 LYS 26 2HG LYS 26 -2.800 8.717 0.902 187 HD2 LYS 26 1HD LYS 26 -4.582 10.306 1.132 188 HD3 LYS 26 2HD LYS 26 -5.251 8.881 0.318 189 HE2 LYS 26 1HE LYS 26 -6.222 8.104 2.466 190 HE3 LYS 26 2HE LYS 26 -5.492 9.478 3.306 191 HZ1 LYS 26 3HZ LYS 26 -6.870 10.959 1.947 192 HZ2 LYS 26 1HZ LYS 26 -7.818 9.911 2.759 193 HZ3 LYS 26 2HZ LYS 26 -7.546 9.693 1.165 194 H SER 27 H SER 27 -3.257 5.661 4.282 195 HA SER 27 HA SER 27 -1.834 7.558 5.860 196 HB2 SER 27 1HB SER 27 -2.901 4.823 6.674 197 HB3 SER 27 2HB SER 27 -2.416 6.123 7.774 198 HG SER 27 HG SER 27 -4.578 6.082 5.930 199 H HIS 28 H HIS 28 -0.750 4.512 4.530 200 HA HIS 28 HA HIS 28 1.715 4.403 6.163 201 HB2 HIS 28 1HB HIS 28 0.880 2.277 5.639 202 HB3 HIS 28 2HB HIS 28 0.504 2.705 3.976 203 HD1 HIS 28 1HD HIS 28 3.667 2.051 6.117 204 HD2 HIS 28 2HD HIS 28 2.303 2.295 2.149 205 HE1 HIS 28 1HE HIS 28 5.628 1.346 4.666 206 H LYS 29 H LYS 29 0.824 5.200 2.762 207 HA LYS 29 HA LYS 29 3.475 5.676 1.852 208 HB2 LYS 29 1HB LYS 29 0.751 6.573 0.850 209 HB3 LYS 29 2HB LYS 29 2.254 7.062 0.052 210 HG2 LYS 29 1HG LYS 29 2.895 4.636 -0.107 211 HG3 LYS 29 2HG LYS 29 1.253 4.218 0.428 212 HD2 LYS 29 1HD LYS 29 0.312 5.555 -1.448 213 HD3 LYS 29 2HD LYS 29 1.942 5.998 -1.957 214 HE2 LYS 29 1HE LYS 29 0.678 3.259 -2.059 215 HE3 LYS 29 2HE LYS 29 1.110 4.333 -3.388 216 HZ1 LYS 29 3HZ LYS 29 3.480 4.089 -2.581 217 HZ2 LYS 29 1HZ LYS 29 2.835 2.740 -3.239 218 HZ3 LYS 29 2HZ LYS 29 2.999 2.857 -1.614 219 H LEU 30 H LEU 30 1.511 7.816 3.762 220 HA LEU 30 HA LEU 30 2.922 10.257 3.406 221 HB2 LEU 30 1HB LEU 30 1.713 8.970 5.886 222 HB3 LEU 30 2HB LEU 30 2.292 10.633 5.842 223 HG LEU 30 HG LEU 30 0.081 9.575 4.029 224 HD11 LEU 30 1HD1 LEU 30 -0.568 9.513 6.410 225 HD12 LEU 30 2HD1 LEU 30 -1.468 10.741 5.505 226 HD13 LEU 30 3HD1 LEU 30 -0.127 11.228 6.571 227 HD21 LEU 30 3HD2 LEU 30 1.040 12.400 4.632 228 HD22 LEU 30 1HD2 LEU 30 -0.411 11.983 3.692 229 HD23 LEU 30 2HD2 LEU 30 1.185 11.540 3.083 230 H LEU 31 H LEU 31 4.016 7.299 4.985 231 HA LEU 31 HA LEU 31 6.333 8.505 6.281 232 HB2 LEU 31 1HB LEU 31 5.770 5.601 5.572 233 HB3 LEU 31 2HB LEU 31 7.001 6.178 6.684 234 HG LEU 31 HG LEU 31 3.988 6.466 7.112 235 HD11 LEU 31 1HD1 LEU 31 4.302 4.769 8.850 236 HD12 LEU 31 2HD1 LEU 31 6.029 4.634 8.435 237 HD13 LEU 31 3HD1 LEU 31 4.784 4.142 7.264 238 HD21 LEU 31 3HD2 LEU 31 6.335 7.113 8.952 239 HD22 LEU 31 1HD2 LEU 31 4.620 7.108 9.422 240 HD23 LEU 31 2HD2 LEU 31 5.199 8.283 8.239 241 H HIS 32 H HIS 32 5.694 7.401 3.023 242 HA HIS 32 HA HIS 32 8.572 7.339 2.291 243 HB2 HIS 32 1HB HIS 32 6.070 6.949 0.608 244 HB3 HIS 32 2HB HIS 32 7.723 6.800 0.039 245 HD1 HIS 32 1HD HIS 32 9.126 4.816 1.819 246 HD2 HIS 32 2HD HIS 32 5.070 4.601 0.779 247 HE1 HIS 32 1HE HIS 32 8.489 2.373 2.041 248 H THR 33 H THR 33 5.636 9.351 1.720 249 HA THR 33 HA THR 33 7.085 11.234 0.019 250 HB THR 33 HB THR 33 4.999 12.494 -0.025 251 HG1 THR 33 1HG THR 33 3.211 11.630 1.110 252 HG21 THR 33 3HG2 THR 33 5.222 10.512 -1.520 253 HG22 THR 33 1HG2 THR 33 3.543 10.851 -1.064 254 HG23 THR 33 2HG2 THR 33 4.416 9.512 -0.291 255 H ALA 34 H ALA 34 6.405 11.063 3.432 256 HA ALA 34 HA ALA 34 6.626 12.408 5.179 257 HB1 ALA 34 1HB ALA 34 8.567 13.841 5.374 258 HB2 ALA 34 2HB ALA 34 9.005 12.333 4.552 259 HB3 ALA 34 3HB ALA 34 8.803 13.832 3.615 260 H ASP 35 H ASP 35 4.628 13.105 3.141 261 HA ASP 35 HA ASP 35 4.405 15.978 2.993 262 HB2 ASP 35 1HB ASP 35 3.470 14.434 1.316 263 HB3 ASP 35 2HB ASP 35 2.340 13.804 2.517 264 H GLY 36 H GLY 36 3.052 17.403 4.055 265 HA2 GLY 36 1HA GLY 36 1.147 16.821 6.099 266 HA3 GLY 36 2HA GLY 36 2.706 17.147 6.857 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 -12.315 -24.102 -2.737 2 H2 GLY 1 2H GLY 1 -12.384 -22.517 -3.154 3 H3 GLY 1 3H GLY 1 -13.749 -23.421 -3.149 4 HA2 GLY 1 1HA GLY 1 -13.633 -23.709 -0.765 5 HA3 GLY 1 2HA GLY 1 -12.147 -22.742 -0.767 6 H SER 2 H SER 2 -14.264 -22.005 0.828 7 HA SER 2 HA SER 2 -16.096 -20.144 -0.314 8 HB2 SER 2 1HB SER 2 -15.038 -20.283 2.533 9 HB3 SER 2 2HB SER 2 -16.502 -19.436 1.993 10 HG SER 2 HG SER 2 -16.966 -21.527 2.838 11 H SER 3 H SER 3 -16.185 -17.894 -0.299 12 HA SER 3 HA SER 3 -13.831 -16.271 0.409 13 HB2 SER 3 1HB SER 3 -13.460 -17.154 -1.941 14 HB3 SER 3 2HB SER 3 -14.899 -16.244 -2.440 15 HG SER 3 HG SER 3 -12.908 -15.085 -2.735 16 H GLY 4 H GLY 4 -14.273 -13.922 0.040 17 HA2 GLY 4 1HA GLY 4 -16.918 -12.887 -0.333 18 HA3 GLY 4 2HA GLY 4 -16.563 -12.993 1.394 19 H SER 5 H SER 5 -17.080 -10.572 0.316 20 HA SER 5 HA SER 5 -16.412 -8.447 -0.067 21 HB2 SER 5 1HB SER 5 -15.246 -8.921 2.137 22 HB3 SER 5 2HB SER 5 -13.745 -9.090 1.208 23 HG SER 5 HG SER 5 -14.157 -6.940 2.034 24 H SER 6 H SER 6 -14.142 -7.158 -0.850 25 HA SER 6 HA SER 6 -14.028 -7.709 -3.657 26 HB2 SER 6 1HB SER 6 -12.203 -5.974 -1.947 27 HB3 SER 6 2HB SER 6 -12.303 -5.946 -3.719 28 HG SER 6 HG SER 6 -13.609 -4.318 -2.742 29 H GLY 7 H GLY 7 -12.577 -8.731 -4.949 30 HA2 GLY 7 1HA GLY 7 -10.832 -10.736 -3.795 31 HA3 GLY 7 2HA GLY 7 -11.111 -10.419 -5.506 32 H LYS 8 H LYS 8 -10.193 -7.480 -4.636 33 HA LYS 8 HA LYS 8 -7.324 -7.915 -5.297 34 HB2 LYS 8 1HB LYS 8 -8.993 -5.363 -5.313 35 HB3 LYS 8 2HB LYS 8 -7.326 -5.510 -5.867 36 HG2 LYS 8 1HG LYS 8 -9.732 -6.846 -7.149 37 HG3 LYS 8 2HG LYS 8 -8.861 -5.421 -7.715 38 HD2 LYS 8 1HD LYS 8 -6.751 -6.890 -7.816 39 HD3 LYS 8 2HD LYS 8 -7.837 -8.288 -7.580 40 HE2 LYS 8 1HE LYS 8 -9.184 -7.519 -9.533 41 HE3 LYS 8 2HE LYS 8 -8.066 -6.163 -9.742 42 HZ1 LYS 8 3HZ LYS 8 -7.316 -9.037 -9.979 43 HZ2 LYS 8 1HZ LYS 8 -6.287 -7.783 -10.177 44 HZ3 LYS 8 2HZ LYS 8 -7.508 -8.013 -11.234 45 H THR 9 H THR 9 -5.679 -6.685 -4.304 46 HA THR 9 HA THR 9 -6.139 -5.914 -1.442 47 HB THR 9 HB THR 9 -3.603 -7.233 -2.474 48 HG1 THR 9 1HG THR 9 -5.264 -8.741 -2.564 49 HG21 THR 9 3HG2 THR 9 -4.692 -6.711 0.330 50 HG22 THR 9 1HG2 THR 9 -3.260 -5.963 -0.415 51 HG23 THR 9 2HG2 THR 9 -3.258 -7.691 -0.041 52 H HIS 10 H HIS 10 -5.015 -4.083 -0.721 53 HA HIS 10 HA HIS 10 -4.061 -2.261 -2.842 54 HB2 HIS 10 1HB HIS 10 -4.498 -1.826 0.135 55 HB3 HIS 10 2HB HIS 10 -4.113 -0.585 -1.045 56 HD1 HIS 10 1HD HIS 10 -6.106 0.202 -2.683 57 HD2 HIS 10 2HD HIS 10 -7.037 -2.823 0.085 58 HE1 HIS 10 1HE HIS 10 -8.651 0.043 -2.627 59 H LEU 11 H LEU 11 -1.909 -1.547 -3.047 60 HA LEU 11 HA LEU 11 0.143 -2.963 -1.392 61 HB2 LEU 11 1HB LEU 11 -0.281 -4.336 -3.267 62 HB3 LEU 11 2HB LEU 11 -0.326 -2.959 -4.375 63 HG LEU 11 HG LEU 11 2.145 -2.639 -4.023 64 HD11 LEU 11 1HD1 LEU 11 1.939 -5.357 -2.654 65 HD12 LEU 11 2HD1 LEU 11 2.373 -3.838 -1.844 66 HD13 LEU 11 3HD1 LEU 11 3.433 -4.508 -3.085 67 HD21 LEU 11 3HD2 LEU 11 2.780 -4.555 -5.416 68 HD22 LEU 11 1HD2 LEU 11 1.254 -3.838 -5.956 69 HD23 LEU 11 2HD2 LEU 11 1.237 -5.359 -5.027 70 H CYS 12 H CYS 12 1.877 -1.919 -0.851 71 HA CYS 12 HA CYS 12 2.455 0.843 -1.592 72 HB2 CYS 12 1HB CYS 12 2.871 -0.106 0.656 73 HB3 CYS 12 2HB CYS 12 4.011 -1.259 -0.047 74 H ASP 13 H ASP 13 3.542 1.430 -3.372 75 HA ASP 13 HA ASP 13 4.925 -0.542 -5.068 76 HB2 ASP 13 1HB ASP 13 3.422 1.197 -5.980 77 HB3 ASP 13 2HB ASP 13 4.523 2.451 -5.395 78 H MET 14 H MET 14 5.807 1.341 -2.400 79 HA MET 14 HA MET 14 8.546 1.975 -3.321 80 HB2 MET 14 1HB MET 14 7.087 2.690 -0.757 81 HB3 MET 14 2HB MET 14 8.640 3.302 -1.286 82 HG2 MET 14 1HG MET 14 7.235 4.993 -1.753 83 HG3 MET 14 2HG MET 14 7.439 4.246 -3.334 84 HE1 MET 14 3HE MET 14 5.445 6.107 -3.679 85 HE2 MET 14 1HE MET 14 3.852 6.002 -2.883 86 HE3 MET 14 2HE MET 14 5.313 6.363 -1.926 87 H CYS 15 H CYS 15 6.966 0.070 -0.758 88 HA CYS 15 HA CYS 15 9.526 -1.392 -0.340 89 HB2 CYS 15 1HB CYS 15 9.250 -1.523 2.005 90 HB3 CYS 15 2HB CYS 15 9.294 0.155 1.493 91 H GLY 16 H GLY 16 6.349 -1.746 -1.304 92 HA2 GLY 16 1HA GLY 16 5.483 -3.697 -2.218 93 HA3 GLY 16 2HA GLY 16 6.777 -4.616 -1.474 94 H LYS 17 H LYS 17 5.157 -2.826 0.913 95 HA LYS 17 HA LYS 17 3.887 -5.166 2.094 96 HB2 LYS 17 1HB LYS 17 3.825 -2.211 2.847 97 HB3 LYS 17 2HB LYS 17 3.130 -3.509 3.823 98 HG2 LYS 17 1HG LYS 17 5.370 -4.580 4.007 99 HG3 LYS 17 2HG LYS 17 6.074 -3.262 3.053 100 HD2 LYS 17 1HD LYS 17 5.195 -1.645 4.803 101 HD3 LYS 17 2HD LYS 17 4.785 -3.038 5.809 102 HE2 LYS 17 1HE LYS 17 7.562 -2.349 4.727 103 HE3 LYS 17 2HE LYS 17 6.993 -1.969 6.355 104 HZ1 LYS 17 3HZ LYS 17 7.315 -4.714 5.268 105 HZ2 LYS 17 1HZ LYS 17 6.746 -4.364 6.762 106 HZ3 LYS 17 2HZ LYS 17 8.285 -4.004 6.367 107 H LYS 18 H LYS 18 1.814 -5.678 2.379 108 HA LYS 18 HA LYS 18 -0.175 -4.441 0.533 109 HB2 LYS 18 1HB LYS 18 0.305 -7.250 1.520 110 HB3 LYS 18 2HB LYS 18 -1.291 -6.770 0.956 111 HG2 LYS 18 1HG LYS 18 -0.466 -6.142 -1.222 112 HG3 LYS 18 2HG LYS 18 1.218 -6.326 -0.706 113 HD2 LYS 18 1HD LYS 18 0.860 -8.746 -0.343 114 HD3 LYS 18 2HD LYS 18 -0.832 -8.579 -0.869 115 HE2 LYS 18 1HE LYS 18 -0.056 -7.765 -3.088 116 HE3 LYS 18 2HE LYS 18 1.626 -7.918 -2.560 117 HZ1 LYS 18 3HZ LYS 18 0.921 -9.859 -3.839 118 HZ2 LYS 18 1HZ LYS 18 -0.293 -10.178 -2.797 119 HZ3 LYS 18 2HZ LYS 18 1.261 -10.316 -2.311 120 H PHE 19 H PHE 19 -2.203 -3.983 1.119 121 HA PHE 19 HA PHE 19 -2.901 -3.811 4.016 122 HB2 PHE 19 1HB PHE 19 -2.936 -1.587 1.942 123 HB3 PHE 19 2HB PHE 19 -3.568 -1.438 3.571 124 HD1 PHE 19 2HD PHE 19 -1.990 -1.649 5.558 125 HD2 PHE 19 1HD PHE 19 -0.563 -1.459 1.499 126 HE1 PHE 19 2HE PHE 19 0.283 -1.090 6.385 127 HE2 PHE 19 1HE PHE 19 1.708 -0.917 2.326 128 HZ PHE 19 HZ PHE 19 2.141 -0.738 4.769 129 H LYS 20 H LYS 20 -5.071 -3.503 4.529 130 HA LYS 20 HA LYS 20 -6.931 -4.943 2.811 131 HB2 LYS 20 1HB LYS 20 -6.626 -5.241 5.283 132 HB3 LYS 20 2HB LYS 20 -7.363 -3.654 5.540 133 HG2 LYS 20 1HG LYS 20 -9.481 -4.458 4.572 134 HG3 LYS 20 2HG LYS 20 -8.725 -6.009 4.152 135 HD2 LYS 20 1HD LYS 20 -8.343 -6.468 6.561 136 HD3 LYS 20 2HD LYS 20 -9.086 -4.905 6.977 137 HE2 LYS 20 1HE LYS 20 -11.206 -5.634 5.902 138 HE3 LYS 20 2HE LYS 20 -10.467 -7.186 5.487 139 HZ1 LYS 20 3HZ LYS 20 -10.885 -6.186 8.257 140 HZ2 LYS 20 1HZ LYS 20 -10.202 -7.623 7.874 141 HZ3 LYS 20 2HZ LYS 20 -11.773 -7.345 7.529 142 H SER 21 H SER 21 -6.335 -1.571 3.294 143 HA SER 21 HA SER 21 -8.656 -0.857 1.588 144 HB2 SER 21 1HB SER 21 -9.520 -0.580 3.835 145 HB3 SER 21 2HB SER 21 -8.096 0.359 4.315 146 HG SER 21 HG SER 21 -10.017 1.605 3.721 147 H LYS 22 H LYS 22 -8.434 1.028 0.438 148 HA LYS 22 HA LYS 22 -5.820 2.042 -0.218 149 HB2 LYS 22 1HB LYS 22 -7.082 3.819 -1.447 150 HB3 LYS 22 2HB LYS 22 -7.479 2.175 -1.906 151 HG2 LYS 22 1HG LYS 22 -9.572 2.256 -0.614 152 HG3 LYS 22 2HG LYS 22 -9.169 3.879 -0.032 153 HD2 LYS 22 1HD LYS 22 -9.212 4.727 -2.365 154 HD3 LYS 22 2HD LYS 22 -9.610 3.095 -2.948 155 HE2 LYS 22 1HE LYS 22 -11.687 3.117 -1.582 156 HE3 LYS 22 2HE LYS 22 -11.291 4.738 -0.999 157 HZ1 LYS 22 3HZ LYS 22 -12.848 4.826 -2.860 158 HZ2 LYS 22 1HZ LYS 22 -11.812 4.034 -3.841 159 HZ3 LYS 22 2HZ LYS 22 -11.445 5.533 -3.301 160 H GLY 23 H GLY 23 -8.169 3.077 2.218 161 HA2 GLY 23 1HA GLY 23 -6.882 5.617 2.828 162 HA3 GLY 23 2HA GLY 23 -8.003 4.726 3.859 163 H THR 24 H THR 24 -6.547 2.283 4.117 164 HA THR 24 HA THR 24 -4.551 2.897 6.094 165 HB THR 24 HB THR 24 -4.932 0.246 4.659 166 HG1 THR 24 1HG THR 24 -6.341 -0.170 6.456 167 HG21 THR 24 3HG2 THR 24 -2.941 0.428 6.157 168 HG22 THR 24 1HG2 THR 24 -4.149 -0.707 6.781 169 HG23 THR 24 2HG2 THR 24 -4.006 0.923 7.487 170 H LEU 25 H LEU 25 -4.298 1.739 2.671 171 HA LEU 25 HA LEU 25 -1.452 1.751 2.565 172 HB2 LEU 25 1HB LEU 25 -2.766 0.600 0.909 173 HB3 LEU 25 2HB LEU 25 -3.638 2.070 0.496 174 HG LEU 25 HG LEU 25 -1.520 3.060 -0.419 175 HD11 LEU 25 1HD1 LEU 25 0.408 1.570 -0.823 176 HD12 LEU 25 2HD1 LEU 25 -0.388 0.273 0.078 177 HD13 LEU 25 3HD1 LEU 25 0.133 1.757 0.905 178 HD21 LEU 25 3HD2 LEU 25 -1.484 1.756 -2.444 179 HD22 LEU 25 1HD2 LEU 25 -3.149 1.858 -1.835 180 HD23 LEU 25 2HD2 LEU 25 -2.199 0.370 -1.606 181 H LYS 26 H LYS 26 -3.810 4.412 1.825 182 HA LYS 26 HA LYS 26 -1.908 6.370 1.051 183 HB2 LYS 26 1HB LYS 26 -4.335 6.630 0.785 184 HB3 LYS 26 2HB LYS 26 -4.553 6.675 2.540 185 HG2 LYS 26 1HG LYS 26 -3.196 8.777 2.637 186 HG3 LYS 26 2HG LYS 26 -2.981 8.692 0.887 187 HD2 LYS 26 1HD LYS 26 -4.723 10.274 1.316 188 HD3 LYS 26 2HD LYS 26 -5.501 8.833 0.641 189 HE2 LYS 26 1HE LYS 26 -6.149 8.109 2.927 190 HE3 LYS 26 2HE LYS 26 -5.312 9.507 3.616 191 HZ1 LYS 26 3HZ LYS 26 -7.652 9.660 1.786 192 HZ2 LYS 26 1HZ LYS 26 -6.878 10.948 2.430 193 HZ3 LYS 26 2HZ LYS 26 -7.696 9.921 3.396 194 H SER 27 H SER 27 -3.159 5.652 4.310 195 HA SER 27 HA SER 27 -1.578 7.492 5.786 196 HB2 SER 27 1HB SER 27 -2.589 4.758 6.663 197 HB3 SER 27 2HB SER 27 -2.026 6.058 7.722 198 HG SER 27 HG SER 27 -4.330 6.009 6.053 199 H HIS 28 H HIS 28 -0.625 4.471 4.313 200 HA HIS 28 HA HIS 28 1.973 4.378 5.730 201 HB2 HIS 28 1HB HIS 28 0.824 2.287 5.384 202 HB3 HIS 28 2HB HIS 28 0.672 2.585 3.654 203 HD1 HIS 28 1HD HIS 28 3.434 1.823 6.246 204 HD2 HIS 28 2HD HIS 28 2.704 1.991 2.107 205 HE1 HIS 28 1HE HIS 28 5.520 0.890 5.139 206 H LYS 29 H LYS 29 0.775 5.038 2.386 207 HA LYS 29 HA LYS 29 3.346 5.490 1.200 208 HB2 LYS 29 1HB LYS 29 0.528 6.356 0.478 209 HB3 LYS 29 2HB LYS 29 1.934 6.897 -0.447 210 HG2 LYS 29 1HG LYS 29 2.619 4.540 -0.819 211 HG3 LYS 29 2HG LYS 29 1.151 3.987 0.006 212 HD2 LYS 29 1HD LYS 29 -0.263 5.015 -1.693 213 HD3 LYS 29 2HD LYS 29 1.134 5.828 -2.427 214 HE2 LYS 29 1HE LYS 29 2.132 3.620 -2.984 215 HE3 LYS 29 2HE LYS 29 0.701 2.815 -2.329 216 HZ1 LYS 29 3HZ LYS 29 0.710 4.683 -4.642 217 HZ2 LYS 29 1HZ LYS 29 -0.632 3.990 -4.021 218 HZ3 LYS 29 2HZ LYS 29 0.512 3.064 -4.726 219 H LEU 30 H LEU 30 1.300 7.697 3.058 220 HA LEU 30 HA LEU 30 2.748 10.106 2.664 221 HB2 LEU 30 1HB LEU 30 1.270 8.940 5.051 222 HB3 LEU 30 2HB LEU 30 1.972 10.552 5.094 223 HG LEU 30 HG LEU 30 -0.098 9.704 3.024 224 HD11 LEU 30 1HD1 LEU 30 -1.001 9.634 5.321 225 HD12 LEU 30 2HD1 LEU 30 -1.695 10.972 4.390 226 HD13 LEU 30 3HD1 LEU 30 -0.430 11.291 5.602 227 HD21 LEU 30 3HD2 LEU 30 -0.368 12.154 2.729 228 HD22 LEU 30 1HD2 LEU 30 1.249 11.611 2.278 229 HD23 LEU 30 2HD2 LEU 30 0.996 12.429 3.834 230 H LEU 31 H LEU 31 3.712 7.271 4.515 231 HA LEU 31 HA LEU 31 5.874 8.591 5.956 232 HB2 LEU 31 1HB LEU 31 5.529 5.625 5.411 233 HB3 LEU 31 2HB LEU 31 6.499 6.367 6.667 234 HG LEU 31 HG LEU 31 3.450 6.446 6.529 235 HD11 LEU 31 1HD1 LEU 31 5.323 4.900 8.362 236 HD12 LEU 31 2HD1 LEU 31 4.365 4.216 7.029 237 HD13 LEU 31 3HD1 LEU 31 3.544 4.918 8.434 238 HD21 LEU 31 3HD2 LEU 31 5.359 7.421 8.697 239 HD22 LEU 31 1HD2 LEU 31 3.590 7.324 8.839 240 HD23 LEU 31 2HD2 LEU 31 4.315 8.441 7.679 241 H HIS 32 H HIS 32 5.597 7.430 2.710 242 HA HIS 32 HA HIS 32 8.533 7.172 2.333 243 HB2 HIS 32 1HB HIS 32 6.156 6.523 0.555 244 HB3 HIS 32 2HB HIS 32 7.829 6.403 0.041 245 HD1 HIS 32 1HD HIS 32 9.383 4.575 1.492 246 HD2 HIS 32 2HD HIS 32 5.192 4.320 1.586 247 HE1 HIS 32 1HE HIS 32 8.853 2.174 2.124 248 H THR 33 H THR 33 6.480 9.776 2.367 249 HA THR 33 HA THR 33 8.033 11.269 0.316 250 HB THR 33 HB THR 33 6.013 10.298 -0.756 251 HG1 THR 33 1HG THR 33 5.501 12.202 -1.780 252 HG21 THR 33 3HG2 THR 33 3.816 11.253 -0.354 253 HG22 THR 33 1HG2 THR 33 4.441 12.259 0.968 254 HG23 THR 33 2HG2 THR 33 4.409 10.491 1.127 255 H ALA 34 H ALA 34 7.161 13.651 0.299 256 HA ALA 34 HA ALA 34 7.800 14.738 2.934 257 HB1 ALA 34 1HB ALA 34 8.746 15.671 0.855 258 HB2 ALA 34 2HB ALA 34 7.112 16.102 0.297 259 HB3 ALA 34 3HB ALA 34 7.803 16.886 1.734 260 H ASP 35 H ASP 35 6.555 16.483 3.941 261 HA ASP 35 HA ASP 35 3.777 15.733 4.326 262 HB2 ASP 35 1HB ASP 35 3.819 17.277 6.150 263 HB3 ASP 35 2HB ASP 35 5.300 16.334 6.171 264 H GLY 36 H GLY 36 5.187 17.841 2.086 265 HA2 GLY 36 1HA GLY 36 2.658 18.833 1.098 266 HA3 GLY 36 2HA GLY 36 3.564 20.111 1.910 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 3.164 -8.928 -11.282 2 H2 GLY 1 2H GLY 1 3.541 -7.774 -12.384 3 H3 GLY 1 3H GLY 1 4.025 -9.322 -12.617 4 HA2 GLY 1 1HA GLY 1 1.230 -8.378 -12.613 5 HA3 GLY 1 2HA GLY 1 2.165 -8.823 -14.052 6 H SER 2 H SER 2 0.580 -10.377 -14.559 7 HA SER 2 HA SER 2 -0.384 -12.388 -14.731 8 HB2 SER 2 1HB SER 2 1.871 -13.441 -13.003 9 HB3 SER 2 2HB SER 2 0.776 -14.403 -14.006 10 HG SER 2 HG SER 2 2.756 -13.937 -15.079 11 H SER 3 H SER 3 -1.458 -14.219 -13.694 12 HA SER 3 HA SER 3 -3.073 -15.097 -12.453 13 HB2 SER 3 1HB SER 3 -1.631 -13.908 -10.073 14 HB3 SER 3 2HB SER 3 -2.843 -15.198 -10.037 15 HG SER 3 HG SER 3 -0.694 -16.024 -10.040 16 H GLY 4 H GLY 4 -2.756 -11.657 -11.604 17 HA2 GLY 4 1HA GLY 4 -4.355 -10.005 -11.585 18 HA3 GLY 4 2HA GLY 4 -5.557 -11.184 -12.106 19 H SER 5 H SER 5 -5.084 -12.897 -9.664 20 HA SER 5 HA SER 5 -7.105 -11.886 -7.971 21 HB2 SER 5 1HB SER 5 -6.395 -13.742 -6.453 22 HB3 SER 5 2HB SER 5 -6.651 -14.237 -8.136 23 HG SER 5 HG SER 5 -4.697 -15.088 -7.233 24 H SER 6 H SER 6 -3.642 -11.291 -7.823 25 HA SER 6 HA SER 6 -3.449 -10.298 -5.142 26 HB2 SER 6 1HB SER 6 -1.414 -9.149 -6.021 27 HB3 SER 6 2HB SER 6 -1.478 -10.879 -6.396 28 HG SER 6 HG SER 6 -0.877 -9.617 -8.227 29 H GLY 7 H GLY 7 -4.862 -8.873 -8.019 30 HA2 GLY 7 1HA GLY 7 -4.770 -6.103 -7.312 31 HA3 GLY 7 2HA GLY 7 -5.916 -6.882 -8.411 32 H LYS 8 H LYS 8 -6.586 -8.644 -5.835 33 HA LYS 8 HA LYS 8 -8.803 -7.023 -4.819 34 HB2 LYS 8 1HB LYS 8 -7.707 -9.740 -3.972 35 HB3 LYS 8 2HB LYS 8 -9.193 -9.003 -3.357 36 HG2 LYS 8 1HG LYS 8 -10.160 -8.993 -5.616 37 HG3 LYS 8 2HG LYS 8 -8.694 -9.765 -6.258 38 HD2 LYS 8 1HD LYS 8 -9.040 -11.713 -4.772 39 HD3 LYS 8 2HD LYS 8 -10.492 -10.942 -4.085 40 HE2 LYS 8 1HE LYS 8 -11.499 -10.847 -6.339 41 HE3 LYS 8 2HE LYS 8 -10.070 -11.644 -7.013 42 HZ1 LYS 8 3HZ LYS 8 -11.912 -12.848 -5.007 43 HZ2 LYS 8 1HZ LYS 8 -10.590 -13.589 -5.619 44 HZ3 LYS 8 2HZ LYS 8 -11.858 -13.247 -6.587 45 H THR 9 H THR 9 -5.503 -7.160 -3.988 46 HA THR 9 HA THR 9 -6.001 -6.082 -1.238 47 HB THR 9 HB THR 9 -3.391 -7.295 -2.207 48 HG1 THR 9 1HG THR 9 -4.077 -9.195 -1.222 49 HG21 THR 9 3HG2 THR 9 -4.619 -6.857 0.554 50 HG22 THR 9 1HG2 THR 9 -3.222 -6.000 -0.138 51 HG23 THR 9 2HG2 THR 9 -3.105 -7.726 0.233 52 H HIS 10 H HIS 10 -5.001 -4.159 -0.609 53 HA HIS 10 HA HIS 10 -4.050 -2.390 -2.775 54 HB2 HIS 10 1HB HIS 10 -4.625 -1.952 0.176 55 HB3 HIS 10 2HB HIS 10 -3.962 -0.720 -0.880 56 HD1 HIS 10 1HD HIS 10 -5.601 0.296 -2.770 57 HD2 HIS 10 2HD HIS 10 -7.244 -2.623 -0.222 58 HE1 HIS 10 1HE HIS 10 -8.120 0.394 -3.111 59 H LEU 11 H LEU 11 -1.926 -1.545 -2.921 60 HA LEU 11 HA LEU 11 0.177 -2.963 -1.344 61 HB2 LEU 11 1HB LEU 11 -0.260 -4.371 -3.171 62 HB3 LEU 11 2HB LEU 11 -0.404 -3.018 -4.305 63 HG LEU 11 HG LEU 11 2.071 -2.631 -4.106 64 HD11 LEU 11 1HD1 LEU 11 1.968 -5.286 -2.612 65 HD12 LEU 11 2HD1 LEU 11 2.468 -3.733 -1.912 66 HD13 LEU 11 3HD1 LEU 11 3.440 -4.474 -3.188 67 HD21 LEU 11 3HD2 LEU 11 1.175 -5.415 -4.946 68 HD22 LEU 11 1HD2 LEU 11 2.670 -4.592 -5.464 69 HD23 LEU 11 2HD2 LEU 11 1.094 -3.940 -5.940 70 H CYS 12 H CYS 12 1.902 -1.874 -0.853 71 HA CYS 12 HA CYS 12 2.427 0.877 -1.684 72 HB2 CYS 12 1HB CYS 12 2.902 0.031 0.583 73 HB3 CYS 12 2HB CYS 12 4.011 -1.166 -0.089 74 H ASP 13 H ASP 13 3.431 1.392 -3.540 75 HA ASP 13 HA ASP 13 4.814 -0.611 -5.179 76 HB2 ASP 13 1HB ASP 13 3.260 1.118 -6.079 77 HB3 ASP 13 2HB ASP 13 4.414 2.369 -5.610 78 H MET 14 H MET 14 5.808 1.118 -2.538 79 HA MET 14 HA MET 14 8.540 1.791 -3.561 80 HB2 MET 14 1HB MET 14 6.862 2.822 -1.259 81 HB3 MET 14 2HB MET 14 8.534 3.317 -1.568 82 HG2 MET 14 1HG MET 14 7.929 4.088 -3.800 83 HG3 MET 14 2HG MET 14 6.251 3.620 -3.572 84 HE1 MET 14 3HE MET 14 4.725 6.230 -1.249 85 HE2 MET 14 1HE MET 14 4.419 5.066 -2.557 86 HE3 MET 14 2HE MET 14 5.127 4.511 -1.025 87 H CYS 15 H CYS 15 6.907 0.071 -0.937 88 HA CYS 15 HA CYS 15 9.444 -1.396 -0.465 89 HB2 CYS 15 1HB CYS 15 9.246 -1.419 1.885 90 HB3 CYS 15 2HB CYS 15 9.300 0.235 1.307 91 H GLY 16 H GLY 16 6.305 -1.732 -1.424 92 HA2 GLY 16 1HA GLY 16 5.419 -3.712 -2.265 93 HA3 GLY 16 2HA GLY 16 6.696 -4.618 -1.474 94 H LYS 17 H LYS 17 5.211 -2.795 0.896 95 HA LYS 17 HA LYS 17 3.939 -5.040 2.173 96 HB2 LYS 17 1HB LYS 17 3.889 -2.054 2.776 97 HB3 LYS 17 2HB LYS 17 3.195 -3.291 3.834 98 HG2 LYS 17 1HG LYS 17 5.406 -4.375 4.073 99 HG3 LYS 17 2HG LYS 17 6.112 -3.193 2.958 100 HD2 LYS 17 1HD LYS 17 5.456 -1.365 4.556 101 HD3 LYS 17 2HD LYS 17 4.897 -2.597 5.687 102 HE2 LYS 17 1HE LYS 17 7.137 -1.801 6.275 103 HE3 LYS 17 2HE LYS 17 7.169 -3.518 5.871 104 HZ1 LYS 17 3HZ LYS 17 8.147 -3.013 3.771 105 HZ2 LYS 17 1HZ LYS 17 8.988 -2.117 4.848 106 HZ3 LYS 17 2HZ LYS 17 7.851 -1.422 3.875 107 H LYS 18 H LYS 18 1.827 -5.465 2.615 108 HA LYS 18 HA LYS 18 -0.140 -4.447 0.610 109 HB2 LYS 18 1HB LYS 18 0.446 -7.197 1.708 110 HB3 LYS 18 2HB LYS 18 -1.107 -6.831 0.959 111 HG2 LYS 18 1HG LYS 18 -0.190 -6.347 -1.146 112 HG3 LYS 18 2HG LYS 18 1.419 -6.080 -0.506 113 HD2 LYS 18 1HD LYS 18 1.428 -8.606 0.130 114 HD3 LYS 18 2HD LYS 18 -0.028 -8.722 -0.870 115 HE2 LYS 18 1HE LYS 18 1.713 -9.280 -2.345 116 HE3 LYS 18 2HE LYS 18 1.332 -7.599 -2.734 117 HZ1 LYS 18 3HZ LYS 18 3.608 -8.533 -1.048 118 HZ2 LYS 18 1HZ LYS 18 3.293 -6.956 -1.322 119 HZ3 LYS 18 2HZ LYS 18 3.736 -7.935 -2.553 120 H PHE 19 H PHE 19 -2.181 -4.034 1.139 121 HA PHE 19 HA PHE 19 -2.916 -3.779 4.023 122 HB2 PHE 19 1HB PHE 19 -2.966 -1.642 1.858 123 HB3 PHE 19 2HB PHE 19 -3.588 -1.430 3.482 124 HD1 PHE 19 2HD PHE 19 -1.977 -1.634 5.471 125 HD2 PHE 19 1HD PHE 19 -0.616 -1.427 1.388 126 HE1 PHE 19 2HE PHE 19 0.297 -1.026 6.262 127 HE2 PHE 19 1HE PHE 19 1.656 -0.825 2.181 128 HZ PHE 19 HZ PHE 19 2.121 -0.638 4.617 129 H LYS 20 H LYS 20 -5.106 -3.505 4.511 130 HA LYS 20 HA LYS 20 -6.903 -5.042 2.809 131 HB2 LYS 20 1HB LYS 20 -6.667 -5.232 5.302 132 HB3 LYS 20 2HB LYS 20 -7.439 -3.648 5.468 133 HG2 LYS 20 1HG LYS 20 -9.500 -4.527 4.435 134 HG3 LYS 20 2HG LYS 20 -8.706 -6.089 4.134 135 HD2 LYS 20 1HD LYS 20 -8.390 -6.371 6.593 136 HD3 LYS 20 2HD LYS 20 -9.249 -4.855 6.881 137 HE2 LYS 20 1HE LYS 20 -10.413 -7.307 5.473 138 HE3 LYS 20 2HE LYS 20 -10.627 -6.943 7.186 139 HZ1 LYS 20 3HZ LYS 20 -11.753 -4.874 6.547 140 HZ2 LYS 20 1HZ LYS 20 -12.521 -6.166 5.914 141 HZ3 LYS 20 2HZ LYS 20 -11.592 -5.231 4.956 142 H SER 21 H SER 21 -6.442 -1.624 3.322 143 HA SER 21 HA SER 21 -8.720 -0.984 1.514 144 HB2 SER 21 1HB SER 21 -9.614 -0.798 3.778 145 HB3 SER 21 2HB SER 21 -8.261 0.240 4.262 146 HG SER 21 HG SER 21 -10.251 1.357 3.661 147 H LYS 22 H LYS 22 -8.581 0.982 0.450 148 HA LYS 22 HA LYS 22 -5.994 2.005 -0.242 149 HB2 LYS 22 1HB LYS 22 -8.353 2.109 -1.481 150 HB3 LYS 22 2HB LYS 22 -8.525 3.623 -0.590 151 HG2 LYS 22 1HG LYS 22 -6.429 4.464 -1.604 152 HG3 LYS 22 2HG LYS 22 -6.165 2.908 -2.394 153 HD2 LYS 22 1HD LYS 22 -7.017 4.501 -4.002 154 HD3 LYS 22 2HD LYS 22 -8.208 3.217 -3.748 155 HE2 LYS 22 1HE LYS 22 -9.502 4.700 -2.241 156 HE3 LYS 22 2HE LYS 22 -8.282 5.970 -2.423 157 HZ1 LYS 22 3HZ LYS 22 -9.953 4.885 -4.630 158 HZ2 LYS 22 1HZ LYS 22 -8.831 6.060 -4.797 159 HZ3 LYS 22 2HZ LYS 22 -10.170 6.331 -3.907 160 H GLY 23 H GLY 23 -8.364 3.008 2.187 161 HA2 GLY 23 1HA GLY 23 -7.186 5.525 2.927 162 HA3 GLY 23 2HA GLY 23 -8.235 4.517 3.932 163 H THR 24 H THR 24 -6.583 2.168 4.025 164 HA THR 24 HA THR 24 -4.636 2.843 6.052 165 HB THR 24 HB THR 24 -4.808 0.226 4.523 166 HG1 THR 24 1HG THR 24 -6.333 1.012 6.780 167 HG21 THR 24 3HG2 THR 24 -2.922 0.463 6.111 168 HG22 THR 24 1HG2 THR 24 -4.095 -0.750 6.659 169 HG23 THR 24 2HG2 THR 24 -4.062 0.865 7.411 170 H LEU 25 H LEU 25 -4.339 1.741 2.623 171 HA LEU 25 HA LEU 25 -1.502 1.818 2.498 172 HB2 LEU 25 1HB LEU 25 -2.808 0.644 0.858 173 HB3 LEU 25 2HB LEU 25 -3.714 2.096 0.443 174 HG LEU 25 HG LEU 25 -1.653 3.118 -0.521 175 HD11 LEU 25 1HD1 LEU 25 0.072 1.941 0.799 176 HD12 LEU 25 2HD1 LEU 25 0.329 1.678 -0.924 177 HD13 LEU 25 3HD1 LEU 25 -0.406 0.398 0.061 178 HD21 LEU 25 3HD2 LEU 25 -1.598 1.777 -2.522 179 HD22 LEU 25 1HD2 LEU 25 -3.254 1.810 -1.885 180 HD23 LEU 25 2HD2 LEU 25 -2.226 0.375 -1.649 181 H LYS 26 H LYS 26 -3.906 4.401 1.761 182 HA LYS 26 HA LYS 26 -2.213 6.449 0.869 183 HB2 LYS 26 1HB LYS 26 -4.641 6.671 0.881 184 HB3 LYS 26 2HB LYS 26 -4.700 6.460 2.622 185 HG2 LYS 26 1HG LYS 26 -3.413 8.672 2.853 186 HG3 LYS 26 2HG LYS 26 -3.606 8.864 1.112 187 HD2 LYS 26 1HD LYS 26 -5.304 10.136 2.311 188 HD3 LYS 26 2HD LYS 26 -6.061 8.845 1.385 189 HE2 LYS 26 1HE LYS 26 -7.131 9.070 3.551 190 HE3 LYS 26 2HE LYS 26 -6.356 7.494 3.430 191 HZ1 LYS 26 3HZ LYS 26 -4.599 8.256 4.890 192 HZ2 LYS 26 1HZ LYS 26 -6.002 8.655 5.584 193 HZ3 LYS 26 2HZ LYS 26 -5.133 9.812 4.837 194 H SER 27 H SER 27 -3.111 5.781 4.277 195 HA SER 27 HA SER 27 -1.366 7.763 5.376 196 HB2 SER 27 1HB SER 27 -2.657 5.341 6.669 197 HB3 SER 27 2HB SER 27 -1.905 6.705 7.530 198 HG SER 27 HG SER 27 -4.176 6.975 7.288 199 H HIS 28 H HIS 28 -0.671 4.519 4.297 200 HA HIS 28 HA HIS 28 1.943 4.400 5.655 201 HB2 HIS 28 1HB HIS 28 0.797 2.316 5.261 202 HB3 HIS 28 2HB HIS 28 0.627 2.660 3.541 203 HD1 HIS 28 1HD HIS 28 3.415 1.832 6.083 204 HD2 HIS 28 2HD HIS 28 2.682 2.174 1.957 205 HE1 HIS 28 1HE HIS 28 5.529 1.021 4.936 206 H LYS 29 H LYS 29 0.742 5.111 2.326 207 HA LYS 29 HA LYS 29 3.284 5.484 1.089 208 HB2 LYS 29 1HB LYS 29 0.506 6.565 0.495 209 HB3 LYS 29 2HB LYS 29 1.911 7.009 -0.480 210 HG2 LYS 29 1HG LYS 29 2.375 4.619 -0.944 211 HG3 LYS 29 2HG LYS 29 0.927 4.159 -0.035 212 HD2 LYS 29 1HD LYS 29 -0.510 5.357 -1.608 213 HD3 LYS 29 2HD LYS 29 0.905 6.043 -2.428 214 HE2 LYS 29 1HE LYS 29 1.638 3.754 -3.078 215 HE3 LYS 29 2HE LYS 29 0.175 3.092 -2.342 216 HZ1 LYS 29 3HZ LYS 29 -0.119 3.421 -4.729 217 HZ2 LYS 29 1HZ LYS 29 0.230 5.009 -4.616 218 HZ3 LYS 29 2HZ LYS 29 -1.133 4.423 -3.933 219 H LEU 30 H LEU 30 1.390 7.787 3.007 220 HA LEU 30 HA LEU 30 2.949 10.120 2.596 221 HB2 LEU 30 1HB LEU 30 1.495 9.084 5.060 222 HB3 LEU 30 2HB LEU 30 2.205 10.690 4.967 223 HG LEU 30 HG LEU 30 -0.001 9.689 3.119 224 HD11 LEU 30 1HD1 LEU 30 -0.704 9.954 5.484 225 HD12 LEU 30 2HD1 LEU 30 -1.458 11.156 4.422 226 HD13 LEU 30 3HD1 LEU 30 -0.096 11.621 5.469 227 HD21 LEU 30 3HD2 LEU 30 1.309 11.434 2.015 228 HD22 LEU 30 1HD2 LEU 30 1.235 12.451 3.474 229 HD23 LEU 30 2HD2 LEU 30 -0.237 12.098 2.542 230 H LEU 31 H LEU 31 3.777 7.268 4.519 231 HA LEU 31 HA LEU 31 5.903 8.514 6.034 232 HB2 LEU 31 1HB LEU 31 5.527 5.569 5.387 233 HB3 LEU 31 2HB LEU 31 6.481 6.248 6.694 234 HG LEU 31 HG LEU 31 3.442 6.414 6.471 235 HD11 LEU 31 1HD1 LEU 31 4.286 4.145 6.934 236 HD12 LEU 31 2HD1 LEU 31 3.439 4.829 8.333 237 HD13 LEU 31 3HD1 LEU 31 5.218 4.769 8.315 238 HD21 LEU 31 3HD2 LEU 31 5.311 7.279 8.720 239 HD22 LEU 31 1HD2 LEU 31 3.537 7.217 8.812 240 HD23 LEU 31 2HD2 LEU 31 4.318 8.351 7.705 241 H HIS 32 H HIS 32 5.786 7.436 2.752 242 HA HIS 32 HA HIS 32 8.730 7.181 2.504 243 HB2 HIS 32 1HB HIS 32 6.441 6.786 0.548 244 HB3 HIS 32 2HB HIS 32 8.139 6.639 0.123 245 HD1 HIS 32 1HD HIS 32 9.528 4.609 1.397 246 HD2 HIS 32 2HD HIS 32 5.332 4.572 1.472 247 HE1 HIS 32 1HE HIS 32 8.874 2.218 1.913 248 H THR 33 H THR 33 6.730 9.814 2.681 249 HA THR 33 HA THR 33 8.401 11.490 0.884 250 HB THR 33 HB THR 33 6.500 10.634 -0.435 251 HG1 THR 33 1HG THR 33 5.991 12.600 -1.285 252 HG21 THR 33 3HG2 THR 33 4.741 10.483 1.247 253 HG22 THR 33 1HG2 THR 33 4.239 11.528 -0.084 254 HG23 THR 33 2HG2 THR 33 4.741 12.248 1.461 255 H ALA 34 H ALA 34 7.046 13.835 1.072 256 HA ALA 34 HA ALA 34 7.063 15.736 2.298 257 HB1 ALA 34 1HB ALA 34 5.408 14.023 4.182 258 HB2 ALA 34 2HB ALA 34 5.352 15.792 4.028 259 HB3 ALA 34 3HB ALA 34 4.831 14.772 2.676 260 H ASP 35 H ASP 35 9.447 14.247 2.772 261 HA ASP 35 HA ASP 35 11.265 14.056 4.080 262 HB2 ASP 35 1HB ASP 35 10.326 16.680 5.276 263 HB3 ASP 35 2HB ASP 35 11.953 16.016 5.378 264 H GLY 36 H GLY 36 8.902 12.677 5.077 265 HA2 GLY 36 1HA GLY 36 8.756 12.612 7.927 266 HA3 GLY 36 2HA GLY 36 8.295 11.313 6.828 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 7.158 4.144 -9.147 2 H2 GLY 1 2H GLY 1 7.126 4.793 -7.642 3 H3 GLY 1 3H GLY 1 6.194 3.495 -7.979 4 HA2 GLY 1 1HA GLY 1 9.134 3.572 -7.819 5 HA3 GLY 1 2HA GLY 1 8.037 2.725 -6.716 6 H SER 2 H SER 2 8.003 0.568 -7.070 7 HA SER 2 HA SER 2 8.044 -0.566 -9.805 8 HB2 SER 2 1HB SER 2 9.961 -2.031 -9.279 9 HB3 SER 2 2HB SER 2 10.406 -0.320 -9.321 10 HG SER 2 HG SER 2 11.310 -1.406 -7.510 11 H SER 3 H SER 3 7.734 -2.891 -9.846 12 HA SER 3 HA SER 3 6.449 -4.698 -9.450 13 HB2 SER 3 1HB SER 3 7.466 -4.399 -6.612 14 HB3 SER 3 2HB SER 3 6.839 -5.881 -7.350 15 HG SER 3 HG SER 3 8.564 -5.869 -8.807 16 H GLY 4 H GLY 4 4.991 -2.120 -9.055 17 HA2 GLY 4 1HA GLY 4 2.933 -2.534 -7.054 18 HA3 GLY 4 2HA GLY 4 2.952 -1.315 -8.327 19 H SER 5 H SER 5 2.629 -4.864 -8.002 20 HA SER 5 HA SER 5 1.177 -5.285 -10.433 21 HB2 SER 5 1HB SER 5 1.371 -7.019 -7.940 22 HB3 SER 5 2HB SER 5 0.685 -7.532 -9.491 23 HG SER 5 HG SER 5 3.377 -6.775 -8.938 24 H SER 6 H SER 6 -0.973 -5.752 -10.867 25 HA SER 6 HA SER 6 -2.951 -4.319 -9.283 26 HB2 SER 6 1HB SER 6 -2.909 -4.398 -11.782 27 HB3 SER 6 2HB SER 6 -3.393 -6.105 -11.697 28 HG SER 6 HG SER 6 -5.183 -4.648 -11.935 29 H GLY 7 H GLY 7 -4.835 -5.149 -8.329 30 HA2 GLY 7 1HA GLY 7 -5.728 -7.768 -8.063 31 HA3 GLY 7 2HA GLY 7 -4.535 -7.572 -6.776 32 H LYS 8 H LYS 8 -6.899 -8.151 -5.860 33 HA LYS 8 HA LYS 8 -8.603 -5.828 -5.297 34 HB2 LYS 8 1HB LYS 8 -8.582 -8.659 -4.162 35 HB3 LYS 8 2HB LYS 8 -9.790 -7.422 -3.784 36 HG2 LYS 8 1HG LYS 8 -10.410 -7.278 -6.169 37 HG3 LYS 8 2HG LYS 8 -9.246 -8.567 -6.545 38 HD2 LYS 8 1HD LYS 8 -10.452 -10.113 -5.022 39 HD3 LYS 8 2HD LYS 8 -11.619 -8.822 -4.635 40 HE2 LYS 8 1HE LYS 8 -12.208 -8.643 -7.025 41 HE3 LYS 8 2HE LYS 8 -11.052 -9.929 -7.411 42 HZ1 LYS 8 3HZ LYS 8 -13.321 -10.803 -7.220 43 HZ2 LYS 8 1HZ LYS 8 -13.459 -10.259 -5.688 44 HZ3 LYS 8 2HZ LYS 8 -12.393 -11.448 -6.043 45 H THR 9 H THR 9 -5.947 -7.417 -3.627 46 HA THR 9 HA THR 9 -6.174 -5.871 -1.160 47 HB THR 9 HB THR 9 -3.673 -7.227 -2.221 48 HG1 THR 9 1HG THR 9 -5.799 -8.410 -0.755 49 HG21 THR 9 3HG2 THR 9 -3.317 -5.957 -0.168 50 HG22 THR 9 1HG2 THR 9 -3.289 -7.687 0.200 51 HG23 THR 9 2HG2 THR 9 -4.726 -6.720 0.599 52 H HIS 10 H HIS 10 -5.019 -3.996 -0.586 53 HA HIS 10 HA HIS 10 -4.017 -2.341 -2.821 54 HB2 HIS 10 1HB HIS 10 -4.499 -1.776 0.127 55 HB3 HIS 10 2HB HIS 10 -3.819 -0.618 -1.002 56 HD1 HIS 10 1HD HIS 10 -5.481 0.476 -2.793 57 HD2 HIS 10 2HD HIS 10 -7.151 -2.432 -0.252 58 HE1 HIS 10 1HE HIS 10 -8.003 0.631 -3.095 59 H LEU 11 H LEU 11 -1.866 -1.645 -3.051 60 HA LEU 11 HA LEU 11 0.190 -3.067 -1.420 61 HB2 LEU 11 1HB LEU 11 -0.284 -4.503 -3.236 62 HB3 LEU 11 2HB LEU 11 -0.326 -3.167 -4.395 63 HG LEU 11 HG LEU 11 2.145 -2.872 -4.116 64 HD11 LEU 11 1HD1 LEU 11 2.412 -3.930 -1.863 65 HD12 LEU 11 2HD1 LEU 11 3.455 -4.664 -3.082 66 HD13 LEU 11 3HD1 LEU 11 1.971 -5.495 -2.572 67 HD21 LEU 11 3HD2 LEU 11 1.189 -4.213 -5.939 68 HD22 LEU 11 1HD2 LEU 11 1.223 -5.660 -4.910 69 HD23 LEU 11 2HD2 LEU 11 2.743 -4.871 -5.396 70 H CYS 12 H CYS 12 1.940 -2.023 -0.956 71 HA CYS 12 HA CYS 12 2.523 0.694 -1.850 72 HB2 CYS 12 1HB CYS 12 2.895 -0.107 0.462 73 HB3 CYS 12 2HB CYS 12 4.028 -1.311 -0.143 74 H ASP 13 H ASP 13 3.412 1.030 -3.805 75 HA ASP 13 HA ASP 13 5.148 -0.926 -5.138 76 HB2 ASP 13 1HB ASP 13 5.020 0.557 -7.026 77 HB3 ASP 13 2HB ASP 13 3.405 0.294 -6.383 78 H MET 14 H MET 14 5.851 0.786 -2.577 79 HA MET 14 HA MET 14 8.478 1.870 -3.557 80 HB2 MET 14 1HB MET 14 6.858 2.699 -1.133 81 HB3 MET 14 2HB MET 14 8.366 3.401 -1.684 82 HG2 MET 14 1HG MET 14 7.249 4.113 -3.783 83 HG3 MET 14 2HG MET 14 5.725 3.440 -3.185 84 HE1 MET 14 3HE MET 14 5.791 6.363 -4.189 85 HE2 MET 14 1HE MET 14 4.381 5.556 -3.462 86 HE3 MET 14 2HE MET 14 4.869 7.171 -2.894 87 H CYS 15 H CYS 15 6.937 0.013 -0.937 88 HA CYS 15 HA CYS 15 9.557 -1.280 -0.443 89 HB2 CYS 15 1HB CYS 15 9.353 -1.285 1.900 90 HB3 CYS 15 2HB CYS 15 9.309 0.361 1.292 91 H GLY 16 H GLY 16 6.426 -1.812 -1.396 92 HA2 GLY 16 1HA GLY 16 5.689 -3.861 -2.232 93 HA3 GLY 16 2HA GLY 16 6.959 -4.689 -1.353 94 H LYS 17 H LYS 17 5.153 -2.778 0.785 95 HA LYS 17 HA LYS 17 3.954 -5.110 2.081 96 HB2 LYS 17 1HB LYS 17 3.917 -2.132 2.729 97 HB3 LYS 17 2HB LYS 17 3.228 -3.382 3.769 98 HG2 LYS 17 1HG LYS 17 5.448 -4.458 3.999 99 HG3 LYS 17 2HG LYS 17 6.144 -3.263 2.889 100 HD2 LYS 17 1HD LYS 17 5.485 -1.447 4.500 101 HD3 LYS 17 2HD LYS 17 4.946 -2.694 5.628 102 HE2 LYS 17 1HE LYS 17 7.186 -1.892 6.204 103 HE3 LYS 17 2HE LYS 17 7.226 -3.604 5.777 104 HZ1 LYS 17 3HZ LYS 17 7.881 -1.466 3.812 105 HZ2 LYS 17 1HZ LYS 17 8.171 -3.056 3.665 106 HZ3 LYS 17 2HZ LYS 17 9.027 -2.186 4.755 107 H LYS 18 H LYS 18 1.888 -5.620 2.434 108 HA LYS 18 HA LYS 18 -0.134 -4.456 0.579 109 HB2 LYS 18 1HB LYS 18 0.358 -7.222 1.674 110 HB3 LYS 18 2HB LYS 18 -1.250 -6.760 1.127 111 HG2 LYS 18 1HG LYS 18 -0.476 -6.226 -1.095 112 HG3 LYS 18 2HG LYS 18 1.219 -6.402 -0.612 113 HD2 LYS 18 1HD LYS 18 0.858 -8.798 -0.139 114 HD3 LYS 18 2HD LYS 18 -0.849 -8.644 -0.616 115 HE2 LYS 18 1HE LYS 18 -0.141 -7.933 -2.894 116 HE3 LYS 18 2HE LYS 18 1.555 -8.083 -2.416 117 HZ1 LYS 18 3HZ LYS 18 1.173 -10.464 -2.046 118 HZ2 LYS 18 1HZ LYS 18 0.786 -10.072 -3.582 119 HZ3 LYS 18 2HZ LYS 18 -0.396 -10.328 -2.487 120 H PHE 19 H PHE 19 -2.124 -3.939 1.150 121 HA PHE 19 HA PHE 19 -2.820 -3.643 4.036 122 HB2 PHE 19 1HB PHE 19 -2.805 -1.498 1.879 123 HB3 PHE 19 2HB PHE 19 -3.409 -1.274 3.509 124 HD1 PHE 19 2HD PHE 19 -1.784 -1.642 5.491 125 HD2 PHE 19 1HD PHE 19 -0.466 -1.286 1.403 126 HE1 PHE 19 2HE PHE 19 0.519 -1.159 6.277 127 HE2 PHE 19 1HE PHE 19 1.835 -0.829 2.192 128 HZ PHE 19 HZ PHE 19 2.338 -0.767 4.627 129 H LYS 20 H LYS 20 -5.000 -3.231 4.524 130 HA LYS 20 HA LYS 20 -6.830 -4.763 2.857 131 HB2 LYS 20 1HB LYS 20 -8.297 -4.713 4.751 132 HB3 LYS 20 2HB LYS 20 -6.657 -5.067 5.290 133 HG2 LYS 20 1HG LYS 20 -6.404 -2.640 5.960 134 HG3 LYS 20 2HG LYS 20 -8.095 -2.376 5.533 135 HD2 LYS 20 1HD LYS 20 -7.079 -4.317 7.655 136 HD3 LYS 20 2HD LYS 20 -7.737 -2.705 7.961 137 HE2 LYS 20 1HE LYS 20 -9.908 -3.396 6.953 138 HE3 LYS 20 2HE LYS 20 -9.261 -5.021 6.685 139 HZ1 LYS 20 3HZ LYS 20 -9.585 -3.738 9.347 140 HZ2 LYS 20 1HZ LYS 20 -8.984 -5.238 9.096 141 HZ3 LYS 20 2HZ LYS 20 -10.542 -4.912 8.741 142 H SER 21 H SER 21 -6.292 -1.381 3.107 143 HA SER 21 HA SER 21 -8.630 -0.787 1.398 144 HB2 SER 21 1HB SER 21 -9.525 -0.587 3.678 145 HB3 SER 21 2HB SER 21 -8.208 0.510 4.121 146 HG SER 21 HG SER 21 -10.228 1.547 3.506 147 H LYS 22 H LYS 22 -8.530 1.288 0.412 148 HA LYS 22 HA LYS 22 -5.924 2.218 -0.359 149 HB2 LYS 22 1HB LYS 22 -8.278 2.430 -1.542 150 HB3 LYS 22 2HB LYS 22 -8.419 3.919 -0.595 151 HG2 LYS 22 1HG LYS 22 -6.189 4.638 -1.571 152 HG3 LYS 22 2HG LYS 22 -6.230 3.213 -2.607 153 HD2 LYS 22 1HD LYS 22 -8.296 5.461 -2.580 154 HD3 LYS 22 2HD LYS 22 -6.986 5.276 -3.754 155 HE2 LYS 22 1HE LYS 22 -7.938 3.089 -4.474 156 HE3 LYS 22 2HE LYS 22 -9.271 3.296 -3.328 157 HZ1 LYS 22 3HZ LYS 22 -9.923 5.302 -4.550 158 HZ2 LYS 22 1HZ LYS 22 -9.905 4.018 -5.555 159 HZ3 LYS 22 2HZ LYS 22 -8.695 5.109 -5.611 160 H GLY 23 H GLY 23 -8.187 3.312 2.149 161 HA2 GLY 23 1HA GLY 23 -6.797 5.722 2.919 162 HA3 GLY 23 2HA GLY 23 -7.915 4.784 3.917 163 H THR 24 H THR 24 -6.501 2.306 3.988 164 HA THR 24 HA THR 24 -4.494 2.751 5.998 165 HB THR 24 HB THR 24 -4.842 0.218 4.367 166 HG1 THR 24 1HG THR 24 -6.326 1.029 6.639 167 HG21 THR 24 3HG2 THR 24 -4.102 0.670 7.289 168 HG22 THR 24 1HG2 THR 24 -2.957 0.289 5.990 169 HG23 THR 24 2HG2 THR 24 -4.198 -0.895 6.445 170 H LEU 25 H LEU 25 -4.255 1.775 2.521 171 HA LEU 25 HA LEU 25 -1.401 1.759 2.406 172 HB2 LEU 25 1HB LEU 25 -2.723 0.671 0.722 173 HB3 LEU 25 2HB LEU 25 -3.605 2.153 0.365 174 HG LEU 25 HG LEU 25 -1.504 3.173 -0.530 175 HD11 LEU 25 1HD1 LEU 25 0.419 1.716 -1.058 176 HD12 LEU 25 2HD1 LEU 25 -0.354 0.368 -0.200 177 HD13 LEU 25 3HD1 LEU 25 0.180 1.809 0.687 178 HD21 LEU 25 3HD2 LEU 25 -3.183 2.013 -1.952 179 HD22 LEU 25 1HD2 LEU 25 -2.155 0.558 -1.889 180 HD23 LEU 25 2HD2 LEU 25 -1.539 2.051 -2.622 181 H LYS 26 H LYS 26 -3.741 4.452 1.816 182 HA LYS 26 HA LYS 26 -1.813 6.424 1.088 183 HB2 LYS 26 1HB LYS 26 -4.217 6.665 0.724 184 HB3 LYS 26 2HB LYS 26 -4.517 6.722 2.467 185 HG2 LYS 26 1HG LYS 26 -3.174 8.777 2.670 186 HG3 LYS 26 2HG LYS 26 -2.785 8.725 0.947 187 HD2 LYS 26 1HD LYS 26 -5.587 9.035 2.121 188 HD3 LYS 26 2HD LYS 26 -4.568 10.363 1.544 189 HE2 LYS 26 1HE LYS 26 -4.531 9.330 -0.731 190 HE3 LYS 26 2HE LYS 26 -5.618 8.057 -0.160 191 HZ1 LYS 26 3HZ LYS 26 -6.849 9.843 -1.249 192 HZ2 LYS 26 1HZ LYS 26 -6.270 10.957 -0.209 193 HZ3 LYS 26 2HZ LYS 26 -7.275 9.784 0.325 194 H SER 27 H SER 27 -3.142 5.634 4.309 195 HA SER 27 HA SER 27 -1.586 7.448 5.851 196 HB2 SER 27 1HB SER 27 -2.599 4.684 6.632 197 HB3 SER 27 2HB SER 27 -2.027 5.938 7.743 198 HG SER 27 HG SER 27 -4.324 5.973 6.069 199 H HIS 28 H HIS 28 -0.649 4.415 4.363 200 HA HIS 28 HA HIS 28 1.945 4.288 5.768 201 HB2 HIS 28 1HB HIS 28 0.866 2.201 5.293 202 HB3 HIS 28 2HB HIS 28 0.659 2.607 3.592 203 HD1 HIS 28 1HD HIS 28 3.514 1.754 6.049 204 HD2 HIS 28 2HD HIS 28 2.668 2.181 1.951 205 HE1 HIS 28 1HE HIS 28 5.598 0.976 4.829 206 H LYS 29 H LYS 29 0.803 5.079 2.436 207 HA LYS 29 HA LYS 29 3.351 5.596 1.279 208 HB2 LYS 29 1HB LYS 29 0.519 6.472 0.665 209 HB3 LYS 29 2HB LYS 29 1.871 7.203 -0.207 210 HG2 LYS 29 1HG LYS 29 2.672 5.062 -0.969 211 HG3 LYS 29 2HG LYS 29 1.422 4.196 -0.059 212 HD2 LYS 29 1HD LYS 29 -0.246 4.723 -1.573 213 HD3 LYS 29 2HD LYS 29 0.407 6.317 -1.901 214 HE2 LYS 29 1HE LYS 29 0.563 5.035 -3.911 215 HE3 LYS 29 2HE LYS 29 2.174 5.385 -3.301 216 HZ1 LYS 29 3HZ LYS 29 0.783 2.777 -3.154 217 HZ2 LYS 29 1HZ LYS 29 2.194 3.103 -2.357 218 HZ3 LYS 29 2HZ LYS 29 2.146 3.146 -3.989 219 H LEU 30 H LEU 30 1.321 7.776 3.204 220 HA LEU 30 HA LEU 30 2.831 10.156 2.944 221 HB2 LEU 30 1HB LEU 30 1.277 8.949 5.262 222 HB3 LEU 30 2HB LEU 30 1.985 10.558 5.349 223 HG LEU 30 HG LEU 30 -0.034 9.751 3.210 224 HD11 LEU 30 1HD1 LEU 30 -1.012 9.641 5.475 225 HD12 LEU 30 2HD1 LEU 30 -1.668 11.000 4.549 226 HD13 LEU 30 3HD1 LEU 30 -0.442 11.288 5.807 227 HD21 LEU 30 3HD2 LEU 30 1.344 11.670 2.546 228 HD22 LEU 30 1HD2 LEU 30 1.033 12.459 4.106 229 HD23 LEU 30 2HD2 LEU 30 -0.292 12.202 2.946 230 H LEU 31 H LEU 31 3.691 7.256 4.757 231 HA LEU 31 HA LEU 31 5.829 8.491 6.292 232 HB2 LEU 31 1HB LEU 31 5.506 5.559 5.567 233 HB3 LEU 31 2HB LEU 31 6.463 6.230 6.873 234 HG LEU 31 HG LEU 31 3.415 6.313 6.712 235 HD11 LEU 31 1HD1 LEU 31 3.495 4.676 8.525 236 HD12 LEU 31 2HD1 LEU 31 5.273 4.663 8.468 237 HD13 LEU 31 3HD1 LEU 31 4.328 4.058 7.089 238 HD21 LEU 31 3HD2 LEU 31 3.533 7.052 9.073 239 HD22 LEU 31 1HD2 LEU 31 4.265 8.237 7.987 240 HD23 LEU 31 2HD2 LEU 31 5.304 7.160 8.952 241 H HIS 32 H HIS 32 5.619 7.234 3.020 242 HA HIS 32 HA HIS 32 8.557 7.327 2.608 243 HB2 HIS 32 1HB HIS 32 6.272 6.802 0.675 244 HB3 HIS 32 2HB HIS 32 7.980 6.749 0.278 245 HD1 HIS 32 1HD HIS 32 9.389 4.760 1.835 246 HD2 HIS 32 2HD HIS 32 5.283 4.467 1.025 247 HE1 HIS 32 1HE HIS 32 8.825 2.291 2.025 248 H THR 33 H THR 33 5.600 9.102 1.500 249 HA THR 33 HA THR 33 7.144 10.902 -0.135 250 HB THR 33 HB THR 33 5.026 12.054 -0.566 251 HG1 THR 33 1HG THR 33 3.159 11.284 0.381 252 HG21 THR 33 3HG2 THR 33 5.599 9.999 -1.840 253 HG22 THR 33 1HG2 THR 33 3.852 10.214 -1.645 254 HG23 THR 33 2HG2 THR 33 4.714 9.021 -0.651 255 H ALA 34 H ALA 34 6.634 11.050 3.224 256 HA ALA 34 HA ALA 34 6.798 13.904 3.582 257 HB1 ALA 34 1HB ALA 34 6.052 12.388 5.351 258 HB2 ALA 34 2HB ALA 34 7.640 11.580 5.369 259 HB3 ALA 34 3HB ALA 34 7.491 13.274 5.881 260 H ASP 35 H ASP 35 9.206 11.584 2.543 261 HA ASP 35 HA ASP 35 11.512 13.237 3.308 262 HB2 ASP 35 1HB ASP 35 11.655 10.781 3.296 263 HB3 ASP 35 2HB ASP 35 11.303 10.760 1.565 264 H GLY 36 H GLY 36 12.717 14.550 2.006 265 HA2 GLY 36 1HA GLY 36 12.614 14.798 -0.834 266 HA3 GLY 36 2HA GLY 36 11.506 15.976 -0.132 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 -16.279 -4.652 -23.071 2 H2 GLY 1 2H GLY 1 -17.402 -5.843 -23.168 3 H3 GLY 1 3H GLY 1 -15.872 -6.114 -23.686 4 HA2 GLY 1 1HA GLY 1 -16.657 -5.599 -20.893 5 HA3 GLY 1 2HA GLY 1 -16.234 -7.186 -21.559 6 H SER 2 H SER 2 -14.984 -5.595 -19.384 7 HA SER 2 HA SER 2 -12.162 -5.504 -20.373 8 HB2 SER 2 1HB SER 2 -13.496 -3.427 -18.594 9 HB3 SER 2 2HB SER 2 -11.776 -3.486 -19.021 10 HG SER 2 HG SER 2 -12.966 -2.038 -20.357 11 H SER 3 H SER 3 -10.566 -5.964 -18.845 12 HA SER 3 HA SER 3 -11.315 -7.948 -16.920 13 HB2 SER 3 1HB SER 3 -8.599 -6.671 -17.394 14 HB3 SER 3 2HB SER 3 -8.920 -8.219 -16.586 15 HG SER 3 HG SER 3 -8.332 -8.497 -18.791 16 H GLY 4 H GLY 4 -10.933 -4.548 -16.470 17 HA2 GLY 4 1HA GLY 4 -11.081 -3.230 -14.558 18 HA3 GLY 4 2HA GLY 4 -11.317 -4.681 -13.588 19 H SER 5 H SER 5 -9.945 -3.488 -12.043 20 HA SER 5 HA SER 5 -7.111 -3.095 -12.599 21 HB2 SER 5 1HB SER 5 -7.006 -2.506 -10.182 22 HB3 SER 5 2HB SER 5 -8.166 -1.557 -11.122 23 HG SER 5 HG SER 5 -9.047 -2.270 -9.121 24 H SER 6 H SER 6 -5.359 -4.129 -11.584 25 HA SER 6 HA SER 6 -5.653 -7.023 -11.405 26 HB2 SER 6 1HB SER 6 -3.189 -5.271 -11.121 27 HB3 SER 6 2HB SER 6 -3.207 -7.036 -11.287 28 HG SER 6 HG SER 6 -2.852 -5.966 -13.298 29 H GLY 7 H GLY 7 -5.286 -8.369 -9.704 30 HA2 GLY 7 1HA GLY 7 -4.891 -9.140 -7.572 31 HA3 GLY 7 2HA GLY 7 -4.122 -7.608 -7.185 32 H LYS 8 H LYS 8 -5.265 -8.535 -5.153 33 HA LYS 8 HA LYS 8 -7.935 -7.189 -4.799 34 HB2 LYS 8 1HB LYS 8 -6.889 -9.743 -3.503 35 HB3 LYS 8 2HB LYS 8 -8.393 -8.921 -3.064 36 HG2 LYS 8 1HG LYS 8 -9.210 -9.253 -5.408 37 HG3 LYS 8 2HG LYS 8 -7.727 -10.178 -5.746 38 HD2 LYS 8 1HD LYS 8 -8.337 -11.636 -3.720 39 HD3 LYS 8 2HD LYS 8 -9.931 -10.866 -3.745 40 HE2 LYS 8 1HE LYS 8 -8.605 -12.302 -6.074 41 HE3 LYS 8 2HE LYS 8 -9.734 -13.077 -4.954 42 HZ1 LYS 8 3HZ LYS 8 -11.447 -11.496 -5.678 43 HZ2 LYS 8 1HZ LYS 8 -10.889 -12.343 -6.954 44 HZ3 LYS 8 2HZ LYS 8 -10.415 -10.798 -6.740 45 H THR 9 H THR 9 -4.682 -7.184 -3.740 46 HA THR 9 HA THR 9 -5.233 -5.956 -1.106 47 HB THR 9 HB THR 9 -2.667 -5.835 -1.086 48 HG1 THR 9 1HG THR 9 -1.703 -7.342 -2.543 49 HG21 THR 9 3HG2 THR 9 -3.939 -8.590 -1.310 50 HG22 THR 9 1HG2 THR 9 -3.899 -7.565 0.148 51 HG23 THR 9 2HG2 THR 9 -2.385 -8.190 -0.534 52 H HIS 10 H HIS 10 -4.455 -3.933 -0.486 53 HA HIS 10 HA HIS 10 -4.007 -1.918 -2.641 54 HB2 HIS 10 1HB HIS 10 -4.501 -1.606 0.347 55 HB3 HIS 10 2HB HIS 10 -4.271 -0.299 -0.802 56 HD1 HIS 10 1HD HIS 10 -6.328 0.344 -2.343 57 HD2 HIS 10 2HD HIS 10 -6.868 -3.033 0.102 58 HE1 HIS 10 1HE HIS 10 -8.818 -0.183 -2.395 59 H LEU 11 H LEU 11 -1.954 -2.214 -3.328 60 HA LEU 11 HA LEU 11 0.171 -3.005 -1.426 61 HB2 LEU 11 1HB LEU 11 -0.188 -4.532 -3.147 62 HB3 LEU 11 2HB LEU 11 -0.342 -3.267 -4.377 63 HG LEU 11 HG LEU 11 2.128 -2.806 -4.157 64 HD11 LEU 11 1HD1 LEU 11 3.519 -4.575 -3.160 65 HD12 LEU 11 2HD1 LEU 11 2.068 -5.412 -2.579 66 HD13 LEU 11 3HD1 LEU 11 2.513 -3.825 -1.913 67 HD21 LEU 11 3HD2 LEU 11 2.771 -4.807 -5.431 68 HD22 LEU 11 1HD2 LEU 11 1.197 -4.186 -5.952 69 HD23 LEU 11 2HD2 LEU 11 1.277 -5.627 -4.906 70 H CYS 12 H CYS 12 1.881 -1.898 -0.916 71 HA CYS 12 HA CYS 12 2.462 0.801 -1.835 72 HB2 CYS 12 1HB CYS 12 2.859 -0.026 0.477 73 HB3 CYS 12 2HB CYS 12 4.007 -1.211 -0.153 74 H ASP 13 H ASP 13 3.517 1.238 -3.694 75 HA ASP 13 HA ASP 13 4.950 -0.834 -5.203 76 HB2 ASP 13 1HB ASP 13 3.439 0.851 -6.229 77 HB3 ASP 13 2HB ASP 13 4.568 2.128 -5.763 78 H MET 14 H MET 14 5.861 1.057 -2.617 79 HA MET 14 HA MET 14 8.602 1.707 -3.593 80 HB2 MET 14 1HB MET 14 6.918 2.683 -1.269 81 HB3 MET 14 2HB MET 14 8.589 3.181 -1.561 82 HG2 MET 14 1HG MET 14 7.991 3.998 -3.782 83 HG3 MET 14 2HG MET 14 6.311 3.530 -3.560 84 HE1 MET 14 3HE MET 14 5.151 4.389 -1.040 85 HE2 MET 14 1HE MET 14 4.772 6.117 -1.242 86 HE3 MET 14 2HE MET 14 4.489 4.980 -2.578 87 H CYS 15 H CYS 15 6.991 -0.095 -1.023 88 HA CYS 15 HA CYS 15 9.563 -1.508 -0.506 89 HB2 CYS 15 1HB CYS 15 9.217 -1.591 1.855 90 HB3 CYS 15 2HB CYS 15 9.282 0.079 1.306 91 H GLY 16 H GLY 16 6.314 -1.857 -1.367 92 HA2 GLY 16 1HA GLY 16 5.439 -3.844 -2.242 93 HA3 GLY 16 2HA GLY 16 6.702 -4.771 -1.458 94 H LYS 17 H LYS 17 5.296 -2.868 0.923 95 HA LYS 17 HA LYS 17 3.901 -5.054 2.187 96 HB2 LYS 17 1HB LYS 17 4.049 -2.076 2.810 97 HB3 LYS 17 2HB LYS 17 3.195 -3.249 3.821 98 HG2 LYS 17 1HG LYS 17 5.294 -4.557 4.097 99 HG3 LYS 17 2HG LYS 17 6.167 -3.364 3.122 100 HD2 LYS 17 1HD LYS 17 5.605 -1.605 4.795 101 HD3 LYS 17 2HD LYS 17 4.771 -2.827 5.783 102 HE2 LYS 17 1HE LYS 17 6.898 -4.130 5.916 103 HE3 LYS 17 2HE LYS 17 7.713 -2.886 4.963 104 HZ1 LYS 17 3HZ LYS 17 8.083 -2.580 7.346 105 HZ2 LYS 17 1HZ LYS 17 6.483 -2.446 7.635 106 HZ3 LYS 17 2HZ LYS 17 7.260 -1.303 6.756 107 H LYS 18 H LYS 18 1.769 -5.380 2.595 108 HA LYS 18 HA LYS 18 -0.144 -4.288 0.561 109 HB2 LYS 18 1HB LYS 18 0.295 -7.061 1.711 110 HB3 LYS 18 2HB LYS 18 -1.158 -6.630 0.813 111 HG2 LYS 18 1HG LYS 18 -0.008 -6.259 -1.206 112 HG3 LYS 18 2HG LYS 18 1.542 -6.076 -0.411 113 HD2 LYS 18 1HD LYS 18 1.384 -8.556 0.265 114 HD3 LYS 18 2HD LYS 18 -0.017 -8.649 -0.807 115 HE2 LYS 18 1HE LYS 18 1.773 -9.362 -2.147 116 HE3 LYS 18 2HE LYS 18 1.487 -7.694 -2.649 117 HZ1 LYS 18 3HZ LYS 18 3.858 -8.120 -2.322 118 HZ2 LYS 18 1HZ LYS 18 3.626 -8.616 -0.789 119 HZ3 LYS 18 2HZ LYS 18 3.396 -7.048 -1.178 120 H PHE 19 H PHE 19 -2.069 -3.625 1.156 121 HA PHE 19 HA PHE 19 -2.892 -3.678 4.024 122 HB2 PHE 19 1HB PHE 19 -2.850 -1.360 2.054 123 HB3 PHE 19 2HB PHE 19 -3.490 -1.274 3.676 124 HD1 PHE 19 2HD PHE 19 -1.932 -1.676 5.663 125 HD2 PHE 19 1HD PHE 19 -0.471 -1.185 1.640 126 HE1 PHE 19 2HE PHE 19 0.352 -1.237 6.542 127 HE2 PHE 19 1HE PHE 19 1.807 -0.761 2.514 128 HZ PHE 19 HZ PHE 19 2.227 -0.796 4.968 129 H LYS 20 H LYS 20 -5.112 -3.229 4.456 130 HA LYS 20 HA LYS 20 -6.853 -4.688 2.590 131 HB2 LYS 20 1HB LYS 20 -8.305 -5.012 4.476 132 HB3 LYS 20 2HB LYS 20 -6.644 -5.381 4.929 133 HG2 LYS 20 1HG LYS 20 -6.459 -3.164 6.063 134 HG3 LYS 20 2HG LYS 20 -8.133 -2.795 5.599 135 HD2 LYS 20 1HD LYS 20 -8.925 -4.756 6.898 136 HD3 LYS 20 2HD LYS 20 -7.250 -5.124 7.364 137 HE2 LYS 20 1HE LYS 20 -7.070 -2.903 8.465 138 HE3 LYS 20 2HE LYS 20 -8.736 -2.533 7.998 139 HZ1 LYS 20 3HZ LYS 20 -9.467 -4.415 9.365 140 HZ2 LYS 20 1HZ LYS 20 -8.621 -3.362 10.278 141 HZ3 LYS 20 2HZ LYS 20 -7.929 -4.758 9.797 142 H SER 21 H SER 21 -6.344 -1.407 2.981 143 HA SER 21 HA SER 21 -8.809 -0.746 1.527 144 HB2 SER 21 1HB SER 21 -9.538 -0.576 3.871 145 HB3 SER 21 2HB SER 21 -8.193 0.522 4.224 146 HG SER 21 HG SER 21 -10.253 1.561 3.758 147 H LYS 22 H LYS 22 -8.771 1.328 0.565 148 HA LYS 22 HA LYS 22 -6.271 2.318 -0.450 149 HB2 LYS 22 1HB LYS 22 -8.976 3.722 -0.231 150 HB3 LYS 22 2HB LYS 22 -7.601 4.262 -1.210 151 HG2 LYS 22 1HG LYS 22 -7.799 2.160 -2.550 152 HG3 LYS 22 2HG LYS 22 -9.267 1.767 -1.610 153 HD2 LYS 22 1HD LYS 22 -10.322 3.870 -2.374 154 HD3 LYS 22 2HD LYS 22 -8.869 4.256 -3.323 155 HE2 LYS 22 1HE LYS 22 -9.181 2.172 -4.642 156 HE3 LYS 22 2HE LYS 22 -10.626 1.787 -3.696 157 HZ1 LYS 22 3HZ LYS 22 -11.648 3.830 -4.549 158 HZ2 LYS 22 1HZ LYS 22 -11.203 2.871 -5.791 159 HZ3 LYS 22 2HZ LYS 22 -10.314 4.186 -5.424 160 H GLY 23 H GLY 23 -8.299 3.411 2.272 161 HA2 GLY 23 1HA GLY 23 -6.768 5.754 2.931 162 HA3 GLY 23 2HA GLY 23 -7.891 4.905 3.997 163 H THR 24 H THR 24 -6.602 2.364 4.154 164 HA THR 24 HA THR 24 -4.544 2.808 6.082 165 HB THR 24 HB THR 24 -4.974 0.227 4.539 166 HG1 THR 24 1HG THR 24 -6.442 -0.216 6.297 167 HG21 THR 24 3HG2 THR 24 -4.267 -0.822 6.631 168 HG22 THR 24 1HG2 THR 24 -4.143 0.769 7.423 169 HG23 THR 24 2HG2 THR 24 -3.031 0.335 6.110 170 H LEU 25 H LEU 25 -4.348 1.807 2.617 171 HA LEU 25 HA LEU 25 -1.485 1.740 2.497 172 HB2 LEU 25 1HB LEU 25 -2.809 0.644 0.833 173 HB3 LEU 25 2HB LEU 25 -3.697 2.114 0.464 174 HG LEU 25 HG LEU 25 -1.577 3.120 -0.470 175 HD11 LEU 25 1HD1 LEU 25 0.323 1.615 -0.964 176 HD12 LEU 25 2HD1 LEU 25 -0.479 0.301 -0.085 177 HD13 LEU 25 3HD1 LEU 25 0.082 1.753 0.775 178 HD21 LEU 25 3HD2 LEU 25 -2.343 0.477 -1.726 179 HD22 LEU 25 1HD2 LEU 25 -1.616 1.868 -2.537 180 HD23 LEU 25 2HD2 LEU 25 -3.262 1.994 -1.884 181 H LYS 26 H LYS 26 -3.810 4.455 1.884 182 HA LYS 26 HA LYS 26 -1.886 6.389 1.097 183 HB2 LYS 26 1HB LYS 26 -4.324 6.685 0.890 184 HB3 LYS 26 2HB LYS 26 -4.482 6.774 2.650 185 HG2 LYS 26 1HG LYS 26 -3.063 8.825 2.670 186 HG3 LYS 26 2HG LYS 26 -2.876 8.696 0.918 187 HD2 LYS 26 1HD LYS 26 -4.548 10.357 1.346 188 HD3 LYS 26 2HD LYS 26 -5.383 8.938 0.692 189 HE2 LYS 26 1HE LYS 26 -6.042 8.265 2.992 190 HE3 LYS 26 2HE LYS 26 -5.155 9.642 3.658 191 HZ1 LYS 26 3HZ LYS 26 -7.497 9.853 1.835 192 HZ2 LYS 26 1HZ LYS 26 -6.675 11.121 2.459 193 HZ3 LYS 26 2HZ LYS 26 -7.523 10.136 3.443 194 H SER 27 H SER 27 -3.106 5.744 4.416 195 HA SER 27 HA SER 27 -1.356 7.497 5.792 196 HB2 SER 27 1HB SER 27 -2.619 4.879 6.683 197 HB3 SER 27 2HB SER 27 -1.801 6.027 7.764 198 HG SER 27 HG SER 27 -4.082 6.370 7.672 199 H HIS 28 H HIS 28 -0.577 4.440 4.293 200 HA HIS 28 HA HIS 28 2.035 4.246 5.678 201 HB2 HIS 28 1HB HIS 28 0.890 2.172 5.264 202 HB3 HIS 28 2HB HIS 28 0.701 2.540 3.550 203 HD1 HIS 28 1HD HIS 28 3.543 1.750 6.052 204 HD2 HIS 28 2HD HIS 28 2.714 2.036 1.940 205 HE1 HIS 28 1HE HIS 28 5.638 0.946 4.869 206 H LYS 29 H LYS 29 0.821 4.997 2.356 207 HA LYS 29 HA LYS 29 3.370 5.465 1.155 208 HB2 LYS 29 1HB LYS 29 0.581 6.508 0.538 209 HB3 LYS 29 2HB LYS 29 1.998 6.944 -0.423 210 HG2 LYS 29 1HG LYS 29 2.462 4.542 -0.862 211 HG3 LYS 29 2HG LYS 29 0.989 4.097 0.014 212 HD2 LYS 29 1HD LYS 29 -0.400 5.299 -1.599 213 HD3 LYS 29 2HD LYS 29 1.040 5.976 -2.381 214 HE2 LYS 29 1HE LYS 29 1.775 3.677 -3.006 215 HE3 LYS 29 2HE LYS 29 0.275 3.037 -2.331 216 HZ1 LYS 29 3HZ LYS 29 0.446 4.960 -4.590 217 HZ2 LYS 29 1HZ LYS 29 -0.951 4.397 -3.959 218 HZ3 LYS 29 2HZ LYS 29 0.073 3.378 -4.723 219 H LEU 30 H LEU 30 1.343 7.667 3.052 220 HA LEU 30 HA LEU 30 2.861 10.042 2.737 221 HB2 LEU 30 1HB LEU 30 1.213 8.948 5.036 222 HB3 LEU 30 2HB LEU 30 1.924 10.558 5.069 223 HG LEU 30 HG LEU 30 -0.020 9.637 2.906 224 HD11 LEU 30 1HD1 LEU 30 -0.477 11.342 5.384 225 HD12 LEU 30 2HD1 LEU 30 -1.055 9.681 5.138 226 HD13 LEU 30 3HD1 LEU 30 -1.675 10.986 4.113 227 HD21 LEU 30 3HD2 LEU 30 1.372 11.472 2.118 228 HD22 LEU 30 1HD2 LEU 30 1.089 12.380 3.624 229 HD23 LEU 30 2HD2 LEU 30 -0.243 12.079 2.485 230 H LEU 31 H LEU 31 3.655 7.204 4.642 231 HA LEU 31 HA LEU 31 5.772 8.472 6.193 232 HB2 LEU 31 1HB LEU 31 5.441 5.518 5.568 233 HB3 LEU 31 2HB LEU 31 6.378 6.231 6.867 234 HG LEU 31 HG LEU 31 3.342 6.314 6.638 235 HD11 LEU 31 1HD1 LEU 31 5.153 4.742 8.509 236 HD12 LEU 31 2HD1 LEU 31 4.244 4.076 7.134 237 HD13 LEU 31 3HD1 LEU 31 3.374 4.754 8.520 238 HD21 LEU 31 3HD2 LEU 31 3.403 7.152 8.970 239 HD22 LEU 31 1HD2 LEU 31 4.159 8.290 7.853 240 HD23 LEU 31 2HD2 LEU 31 5.177 7.258 8.884 241 H HIS 32 H HIS 32 5.625 7.075 2.964 242 HA HIS 32 HA HIS 32 8.564 7.091 2.619 243 HB2 HIS 32 1HB HIS 32 6.283 6.629 0.665 244 HB3 HIS 32 2HB HIS 32 7.986 6.614 0.241 245 HD1 HIS 32 1HD HIS 32 9.484 4.582 1.406 246 HD2 HIS 32 2HD HIS 32 5.294 4.338 1.486 247 HE1 HIS 32 1HE HIS 32 8.946 2.138 1.811 248 H THR 33 H THR 33 5.730 9.018 1.478 249 HA THR 33 HA THR 33 7.332 11.453 1.595 250 HB THR 33 HB THR 33 7.997 10.776 -0.623 251 HG1 THR 33 1HG THR 33 7.806 12.855 -0.747 252 HG21 THR 33 3HG2 THR 33 6.499 10.494 -2.481 253 HG22 THR 33 1HG2 THR 33 5.070 10.765 -1.461 254 HG23 THR 33 2HG2 THR 33 6.067 9.308 -1.245 255 H ALA 34 H ALA 34 6.149 13.211 2.015 256 HA ALA 34 HA ALA 34 3.188 13.034 2.024 257 HB1 ALA 34 1HB ALA 34 4.346 13.713 4.092 258 HB2 ALA 34 2HB ALA 34 5.074 15.093 3.234 259 HB3 ALA 34 3HB ALA 34 3.314 15.009 3.462 260 H ASP 35 H ASP 35 5.429 13.861 -0.257 261 HA ASP 35 HA ASP 35 3.844 16.166 -1.350 262 HB2 ASP 35 1HB ASP 35 6.079 16.742 -0.424 263 HB3 ASP 35 2HB ASP 35 6.823 15.625 -1.569 264 H GLY 36 H GLY 36 5.534 13.140 -2.190 265 HA2 GLY 36 1HA GLY 36 5.142 11.675 -3.951 266 HA3 GLY 36 2HA GLY 36 3.847 12.718 -4.526 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 -15.786 -9.682 -21.570 2 H2 GLY 1 2H GLY 1 -16.773 -10.383 -20.469 3 H3 GLY 1 3H GLY 1 -15.694 -11.296 -21.299 4 HA2 GLY 1 1HA GLY 1 -14.906 -10.951 -19.059 5 HA3 GLY 1 2HA GLY 1 -13.840 -10.184 -20.250 6 H SER 2 H SER 2 -13.279 -9.048 -18.140 7 HA SER 2 HA SER 2 -14.874 -6.535 -17.824 8 HB2 SER 2 1HB SER 2 -13.707 -8.216 -15.573 9 HB3 SER 2 2HB SER 2 -14.469 -6.626 -15.396 10 HG SER 2 HG SER 2 -15.926 -8.355 -14.958 11 H SER 3 H SER 3 -13.725 -4.690 -17.285 12 HA SER 3 HA SER 3 -10.991 -4.597 -18.219 13 HB2 SER 3 1HB SER 3 -12.692 -2.393 -17.005 14 HB3 SER 3 2HB SER 3 -11.218 -2.189 -17.971 15 HG SER 3 HG SER 3 -13.120 -1.927 -19.232 16 H GLY 4 H GLY 4 -12.081 -5.349 -15.142 17 HA2 GLY 4 1HA GLY 4 -9.505 -5.147 -13.891 18 HA3 GLY 4 2HA GLY 4 -10.567 -3.855 -13.320 19 H SER 5 H SER 5 -10.083 -5.075 -11.268 20 HA SER 5 HA SER 5 -12.275 -6.962 -10.646 21 HB2 SER 5 1HB SER 5 -10.134 -8.240 -11.267 22 HB3 SER 5 2HB SER 5 -9.428 -7.570 -9.788 23 HG SER 5 HG SER 5 -11.768 -9.199 -10.043 24 H SER 6 H SER 6 -12.584 -7.240 -8.307 25 HA SER 6 HA SER 6 -11.858 -4.816 -6.702 26 HB2 SER 6 1HB SER 6 -14.666 -5.873 -7.209 27 HB3 SER 6 2HB SER 6 -14.238 -4.562 -6.099 28 HG SER 6 HG SER 6 -14.940 -3.787 -8.148 29 H GLY 7 H GLY 7 -12.440 -4.947 -4.422 30 HA2 GLY 7 1HA GLY 7 -12.654 -5.967 -2.369 31 HA3 GLY 7 2HA GLY 7 -13.211 -7.436 -3.168 32 H LYS 8 H LYS 8 -10.095 -6.036 -3.951 33 HA LYS 8 HA LYS 8 -8.647 -8.323 -2.658 34 HB2 LYS 8 1HB LYS 8 -8.346 -7.116 -5.436 35 HB3 LYS 8 2HB LYS 8 -7.154 -8.212 -4.715 36 HG2 LYS 8 1HG LYS 8 -8.755 -9.994 -4.532 37 HG3 LYS 8 2HG LYS 8 -10.081 -8.943 -5.062 38 HD2 LYS 8 1HD LYS 8 -9.055 -8.656 -7.264 39 HD3 LYS 8 2HD LYS 8 -7.654 -9.649 -6.772 40 HE2 LYS 8 1HE LYS 8 -9.087 -11.568 -6.376 41 HE3 LYS 8 2HE LYS 8 -10.539 -10.594 -6.663 42 HZ1 LYS 8 3HZ LYS 8 -9.884 -10.316 -8.951 43 HZ2 LYS 8 1HZ LYS 8 -9.937 -11.916 -8.625 44 HZ3 LYS 8 2HZ LYS 8 -8.490 -11.164 -8.738 45 H THR 9 H THR 9 -6.325 -8.005 -2.404 46 HA THR 9 HA THR 9 -5.926 -6.000 -0.536 47 HB THR 9 HB THR 9 -3.486 -7.208 -1.817 48 HG1 THR 9 1HG THR 9 -3.963 -9.197 -0.878 49 HG21 THR 9 3HG2 THR 9 -2.980 -7.729 0.560 50 HG22 THR 9 1HG2 THR 9 -4.516 -6.981 1.046 51 HG23 THR 9 2HG2 THR 9 -3.244 -5.997 0.284 52 H HIS 10 H HIS 10 -4.858 -4.088 -0.386 53 HA HIS 10 HA HIS 10 -4.049 -2.676 -2.875 54 HB2 HIS 10 1HB HIS 10 -4.515 -1.711 -0.030 55 HB3 HIS 10 2HB HIS 10 -3.961 -0.701 -1.359 56 HD1 HIS 10 1HD HIS 10 -5.801 0.209 -3.014 57 HD2 HIS 10 2HD HIS 10 -7.111 -2.758 -0.334 58 HE1 HIS 10 1HE HIS 10 -8.344 0.158 -3.190 59 H LEU 11 H LEU 11 -1.930 -1.610 -2.959 60 HA LEU 11 HA LEU 11 0.185 -2.982 -1.356 61 HB2 LEU 11 1HB LEU 11 -0.251 -4.426 -3.162 62 HB3 LEU 11 2HB LEU 11 -0.393 -3.093 -4.319 63 HG LEU 11 HG LEU 11 2.080 -2.696 -4.116 64 HD11 LEU 11 1HD1 LEU 11 3.444 -4.537 -3.177 65 HD12 LEU 11 2HD1 LEU 11 1.968 -5.331 -2.586 66 HD13 LEU 11 3HD1 LEU 11 2.477 -3.769 -1.912 67 HD21 LEU 11 3HD2 LEU 11 1.109 -4.023 -5.935 68 HD22 LEU 11 1HD2 LEU 11 1.187 -5.488 -4.922 69 HD23 LEU 11 2HD2 LEU 11 2.683 -4.672 -5.448 70 H CYS 12 H CYS 12 1.923 -1.884 -0.910 71 HA CYS 12 HA CYS 12 2.432 0.857 -1.764 72 HB2 CYS 12 1HB CYS 12 2.945 0.007 0.499 73 HB3 CYS 12 2HB CYS 12 4.046 -1.189 -0.194 74 H ASP 13 H ASP 13 3.407 1.368 -3.636 75 HA ASP 13 HA ASP 13 4.796 -0.635 -5.276 76 HB2 ASP 13 1HB ASP 13 3.213 1.049 -6.184 77 HB3 ASP 13 2HB ASP 13 4.337 2.333 -5.729 78 H MET 14 H MET 14 5.790 1.152 -2.662 79 HA MET 14 HA MET 14 8.499 1.847 -3.716 80 HB2 MET 14 1HB MET 14 6.874 2.809 -1.347 81 HB3 MET 14 2HB MET 14 8.538 3.313 -1.681 82 HG2 MET 14 1HG MET 14 7.871 4.140 -3.882 83 HG3 MET 14 2HG MET 14 6.195 3.690 -3.594 84 HE1 MET 14 3HE MET 14 4.434 5.180 -2.551 85 HE2 MET 14 1HE MET 14 5.133 4.545 -1.046 86 HE3 MET 14 2HE MET 14 4.785 6.284 -1.204 87 H CYS 15 H CYS 15 6.937 0.061 -1.089 88 HA CYS 15 HA CYS 15 9.492 -1.394 -0.679 89 HB2 CYS 15 1HB CYS 15 9.356 -1.400 1.677 90 HB3 CYS 15 2HB CYS 15 9.376 0.254 1.091 91 H GLY 16 H GLY 16 6.325 -1.743 -1.545 92 HA2 GLY 16 1HA GLY 16 5.419 -3.732 -2.345 93 HA3 GLY 16 2HA GLY 16 6.713 -4.633 -1.575 94 H LYS 17 H LYS 17 5.282 -2.774 0.803 95 HA LYS 17 HA LYS 17 4.012 -5.004 2.123 96 HB2 LYS 17 1HB LYS 17 4.044 -2.019 2.732 97 HB3 LYS 17 2HB LYS 17 3.356 -3.243 3.807 98 HG2 LYS 17 1HG LYS 17 5.547 -4.373 3.985 99 HG3 LYS 17 2HG LYS 17 6.246 -3.213 2.843 100 HD2 LYS 17 1HD LYS 17 5.666 -1.362 4.458 101 HD3 LYS 17 2HD LYS 17 5.144 -2.589 5.612 102 HE2 LYS 17 1HE LYS 17 7.412 -1.817 6.109 103 HE3 LYS 17 2HE LYS 17 7.415 -3.534 5.694 104 HZ1 LYS 17 3HZ LYS 17 8.305 -3.020 3.556 105 HZ2 LYS 17 1HZ LYS 17 9.198 -2.134 4.601 106 HZ3 LYS 17 2HZ LYS 17 8.024 -1.426 3.683 107 H LYS 18 H LYS 18 1.886 -5.325 2.674 108 HA LYS 18 HA LYS 18 -0.077 -4.353 0.635 109 HB2 LYS 18 1HB LYS 18 0.502 -7.065 1.820 110 HB3 LYS 18 2HB LYS 18 -1.063 -6.717 1.095 111 HG2 LYS 18 1HG LYS 18 -0.187 -6.300 -1.046 112 HG3 LYS 18 2HG LYS 18 1.439 -6.040 -0.445 113 HD2 LYS 18 1HD LYS 18 1.432 -8.542 0.263 114 HD3 LYS 18 2HD LYS 18 -0.055 -8.670 -0.688 115 HE2 LYS 18 1HE LYS 18 1.630 -9.303 -2.193 116 HE3 LYS 18 2HE LYS 18 1.260 -7.632 -2.629 117 HZ1 LYS 18 3HZ LYS 18 3.664 -7.992 -2.512 118 HZ2 LYS 18 1HZ LYS 18 3.576 -8.541 -0.984 119 HZ3 LYS 18 2HZ LYS 18 3.273 -6.970 -1.297 120 H PHE 19 H PHE 19 -2.119 -3.882 1.164 121 HA PHE 19 HA PHE 19 -2.823 -3.569 4.053 122 HB2 PHE 19 1HB PHE 19 -2.858 -1.445 1.875 123 HB3 PHE 19 2HB PHE 19 -3.465 -1.217 3.506 124 HD1 PHE 19 2HD PHE 19 -1.861 -1.449 5.486 125 HD2 PHE 19 1HD PHE 19 -0.494 -1.285 1.403 126 HE1 PHE 19 2HE PHE 19 0.441 -0.961 6.278 127 HE2 PHE 19 1HE PHE 19 1.806 -0.803 2.197 128 HZ PHE 19 HZ PHE 19 2.281 -0.665 4.633 129 H LYS 20 H LYS 20 -4.990 -3.240 4.571 130 HA LYS 20 HA LYS 20 -6.821 -4.850 3.046 131 HB2 LYS 20 1HB LYS 20 -8.328 -4.541 4.878 132 HB3 LYS 20 2HB LYS 20 -6.705 -4.756 5.526 133 HG2 LYS 20 1HG LYS 20 -6.544 -2.247 5.816 134 HG3 LYS 20 2HG LYS 20 -8.224 -2.115 5.262 135 HD2 LYS 20 1HD LYS 20 -8.891 -3.674 7.132 136 HD3 LYS 20 2HD LYS 20 -7.238 -3.585 7.747 137 HE2 LYS 20 1HE LYS 20 -9.160 -1.233 7.389 138 HE3 LYS 20 2HE LYS 20 -8.834 -2.064 8.911 139 HZ1 LYS 20 3HZ LYS 20 -7.507 -0.085 8.789 140 HZ2 LYS 20 1HZ LYS 20 -6.873 -0.471 7.343 141 HZ3 LYS 20 2HZ LYS 20 -6.484 -1.351 8.681 142 H SER 21 H SER 21 -6.291 -1.443 2.981 143 HA SER 21 HA SER 21 -8.490 -0.973 1.070 144 HB2 SER 21 1HB SER 21 -9.651 -0.690 3.176 145 HB3 SER 21 2HB SER 21 -8.354 0.332 3.815 146 HG SER 21 HG SER 21 -10.264 1.448 2.954 147 H LYS 22 H LYS 22 -8.233 0.951 -0.101 148 HA LYS 22 HA LYS 22 -5.647 2.155 -0.418 149 HB2 LYS 22 1HB LYS 22 -6.858 3.906 -1.707 150 HB3 LYS 22 2HB LYS 22 -7.159 2.265 -2.250 151 HG2 LYS 22 1HG LYS 22 -9.363 2.253 -1.123 152 HG3 LYS 22 2HG LYS 22 -9.062 3.886 -0.502 153 HD2 LYS 22 1HD LYS 22 -8.930 4.748 -2.824 154 HD3 LYS 22 2HD LYS 22 -9.227 3.110 -3.447 155 HE2 LYS 22 1HE LYS 22 -11.413 3.061 -2.266 156 HE3 LYS 22 2HE LYS 22 -11.116 4.688 -1.640 157 HZ1 LYS 22 3HZ LYS 22 -11.096 5.498 -3.940 158 HZ2 LYS 22 1HZ LYS 22 -12.509 4.747 -3.626 159 HZ3 LYS 22 2HZ LYS 22 -11.372 3.995 -4.520 160 H GLY 23 H GLY 23 -8.308 2.937 1.758 161 HA2 GLY 23 1HA GLY 23 -7.320 5.490 2.680 162 HA3 GLY 23 2HA GLY 23 -8.459 4.425 3.514 163 H THR 24 H THR 24 -6.465 2.158 3.491 164 HA THR 24 HA THR 24 -4.871 2.916 5.879 165 HB THR 24 HB THR 24 -5.034 0.238 4.449 166 HG1 THR 24 1HG THR 24 -6.994 1.287 5.519 167 HG21 THR 24 3HG2 THR 24 -4.200 0.945 7.297 168 HG22 THR 24 1HG2 THR 24 -3.082 0.491 5.998 169 HG23 THR 24 2HG2 THR 24 -4.268 -0.685 6.585 170 H LEU 25 H LEU 25 -4.315 1.759 2.510 171 HA LEU 25 HA LEU 25 -1.485 1.835 2.529 172 HB2 LEU 25 1HB LEU 25 -2.716 0.739 0.771 173 HB3 LEU 25 2HB LEU 25 -3.583 2.221 0.372 174 HG LEU 25 HG LEU 25 -1.509 3.257 -0.473 175 HD11 LEU 25 1HD1 LEU 25 0.506 1.892 -0.841 176 HD12 LEU 25 2HD1 LEU 25 -0.235 0.536 0.035 177 HD13 LEU 25 3HD1 LEU 25 0.174 2.044 0.880 178 HD21 LEU 25 3HD2 LEU 25 -2.083 0.538 -1.672 179 HD22 LEU 25 1HD2 LEU 25 -1.340 1.916 -2.499 180 HD23 LEU 25 2HD2 LEU 25 -3.023 2.028 -1.953 181 H LYS 26 H LYS 26 -3.825 4.465 1.768 182 HA LYS 26 HA LYS 26 -2.142 6.548 1.039 183 HB2 LYS 26 1HB LYS 26 -4.555 6.801 1.108 184 HB3 LYS 26 2HB LYS 26 -4.601 6.432 2.830 185 HG2 LYS 26 1HG LYS 26 -3.366 8.622 3.266 186 HG3 LYS 26 2HG LYS 26 -3.510 8.966 1.542 187 HD2 LYS 26 1HD LYS 26 -5.252 10.114 2.813 188 HD3 LYS 26 2HD LYS 26 -5.962 8.923 1.730 189 HE2 LYS 26 1HE LYS 26 -7.118 8.917 3.864 190 HE3 LYS 26 2HE LYS 26 -6.328 7.366 3.609 191 HZ1 LYS 26 3HZ LYS 26 -5.194 9.531 5.308 192 HZ2 LYS 26 1HZ LYS 26 -4.622 7.992 5.201 193 HZ3 LYS 26 2HZ LYS 26 -6.059 8.275 5.882 194 H SER 27 H SER 27 -2.980 5.646 4.398 195 HA SER 27 HA SER 27 -1.295 7.594 5.639 196 HB2 SER 27 1HB SER 27 -2.508 5.051 6.767 197 HB3 SER 27 2HB SER 27 -1.850 6.409 7.708 198 HG SER 27 HG SER 27 -4.125 6.566 7.439 199 H HIS 28 H HIS 28 -0.552 4.421 4.379 200 HA HIS 28 HA HIS 28 2.066 4.264 5.731 201 HB2 HIS 28 1HB HIS 28 0.947 2.186 5.240 202 HB3 HIS 28 2HB HIS 28 0.756 2.615 3.539 203 HD1 HIS 28 1HD HIS 28 3.606 1.764 6.013 204 HD2 HIS 28 2HD HIS 28 2.772 2.171 1.912 205 HE1 HIS 28 1HE HIS 28 5.707 1.013 4.806 206 H LYS 29 H LYS 29 0.828 5.147 2.457 207 HA LYS 29 HA LYS 29 3.366 5.627 1.238 208 HB2 LYS 29 1HB LYS 29 0.578 6.709 0.704 209 HB3 LYS 29 2HB LYS 29 1.984 7.193 -0.256 210 HG2 LYS 29 1HG LYS 29 2.442 4.820 -0.813 211 HG3 LYS 29 2HG LYS 29 0.997 4.326 0.083 212 HD2 LYS 29 1HD LYS 29 -0.445 5.575 -1.441 213 HD3 LYS 29 2HD LYS 29 0.965 6.298 -2.237 214 HE2 LYS 29 1HE LYS 29 1.708 4.052 -2.987 215 HE3 LYS 29 2HE LYS 29 0.263 3.341 -2.260 216 HZ1 LYS 29 3HZ LYS 29 -0.063 3.761 -4.632 217 HZ2 LYS 29 1HZ LYS 29 0.261 5.348 -4.456 218 HZ3 LYS 29 2HZ LYS 29 -1.083 4.712 -3.783 219 H LEU 30 H LEU 30 1.422 7.798 3.266 220 HA LEU 30 HA LEU 30 2.984 10.150 3.043 221 HB2 LEU 30 1HB LEU 30 1.525 8.940 5.425 222 HB3 LEU 30 2HB LEU 30 2.235 10.549 5.444 223 HG LEU 30 HG LEU 30 0.028 9.677 3.534 224 HD11 LEU 30 1HD1 LEU 30 -0.680 9.786 5.913 225 HD12 LEU 30 2HD1 LEU 30 -1.430 11.058 4.931 226 HD13 LEU 30 3HD1 LEU 30 -0.070 11.449 6.008 227 HD21 LEU 30 3HD2 LEU 30 1.259 12.411 4.075 228 HD22 LEU 30 1HD2 LEU 30 -0.210 12.119 3.117 229 HD23 LEU 30 2HD2 LEU 30 1.340 11.494 2.554 230 H LEU 31 H LEU 31 3.799 7.171 4.787 231 HA LEU 31 HA LEU 31 5.986 8.327 6.303 232 HB2 LEU 31 1HB LEU 31 5.575 5.416 5.547 233 HB3 LEU 31 2HB LEU 31 6.562 6.043 6.854 234 HG LEU 31 HG LEU 31 3.517 6.199 6.713 235 HD11 LEU 31 1HD1 LEU 31 5.350 4.512 8.459 236 HD12 LEU 31 2HD1 LEU 31 4.392 3.926 7.081 237 HD13 LEU 31 3HD1 LEU 31 3.571 4.556 8.520 238 HD21 LEU 31 3HD2 LEU 31 4.408 8.104 7.990 239 HD22 LEU 31 1HD2 LEU 31 5.434 7.008 8.943 240 HD23 LEU 31 2HD2 LEU 31 3.662 6.928 9.077 241 H HIS 32 H HIS 32 5.712 7.279 2.993 242 HA HIS 32 HA HIS 32 8.654 7.202 2.587 243 HB2 HIS 32 1HB HIS 32 6.313 6.830 0.686 244 HB3 HIS 32 2HB HIS 32 8.002 6.809 0.209 245 HD1 HIS 32 1HD HIS 32 9.514 4.732 1.263 246 HD2 HIS 32 2HD HIS 32 5.326 4.518 1.471 247 HE1 HIS 32 1HE HIS 32 8.967 2.282 1.614 248 H THR 33 H THR 33 5.841 9.334 1.875 249 HA THR 33 HA THR 33 7.500 11.111 0.246 250 HB THR 33 HB THR 33 5.443 12.397 -0.086 251 HG1 THR 33 1HG THR 33 3.534 11.630 0.775 252 HG21 THR 33 3HG2 THR 33 4.200 10.714 -1.339 253 HG22 THR 33 1HG2 THR 33 4.998 9.401 -0.449 254 HG23 THR 33 2HG2 THR 33 5.939 10.441 -1.540 255 H ALA 34 H ALA 34 6.303 11.246 3.593 256 HA ALA 34 HA ALA 34 6.942 14.066 3.895 257 HB1 ALA 34 1HB ALA 34 6.394 11.932 5.992 258 HB2 ALA 34 2HB ALA 34 6.416 13.688 6.252 259 HB3 ALA 34 3HB ALA 34 5.173 12.965 5.210 260 H ASP 35 H ASP 35 8.735 15.033 4.703 261 HA ASP 35 HA ASP 35 11.217 13.438 4.942 262 HB2 ASP 35 1HB ASP 35 11.049 15.411 3.450 263 HB3 ASP 35 2HB ASP 35 10.750 16.438 4.852 264 H GLY 36 H GLY 36 9.014 15.126 7.061 265 HA2 GLY 36 1HA GLY 36 9.912 14.126 9.497 266 HA3 GLY 36 2HA GLY 36 10.805 15.633 9.285 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 7.362 -7.862 -20.817 2 H2 GLY 1 2H GLY 1 7.525 -8.105 -19.204 3 H3 GLY 1 3H GLY 1 8.302 -6.859 -19.926 4 HA2 GLY 1 1HA GLY 1 6.215 -5.784 -20.467 5 HA3 GLY 1 2HA GLY 1 5.379 -7.130 -19.671 6 H SER 2 H SER 2 4.425 -5.343 -18.392 7 HA SER 2 HA SER 2 5.949 -3.726 -16.600 8 HB2 SER 2 1HB SER 2 3.044 -4.600 -16.392 9 HB3 SER 2 2HB SER 2 3.798 -3.239 -15.540 10 HG SER 2 HG SER 2 2.700 -2.570 -17.450 11 H SER 3 H SER 3 6.200 -3.799 -14.348 12 HA SER 3 HA SER 3 6.560 -6.468 -13.182 13 HB2 SER 3 1HB SER 3 8.200 -4.592 -12.915 14 HB3 SER 3 2HB SER 3 7.011 -3.760 -11.890 15 HG SER 3 HG SER 3 8.526 -5.048 -10.692 16 H GLY 4 H GLY 4 5.675 -7.150 -11.176 17 HA2 GLY 4 1HA GLY 4 4.032 -7.508 -9.594 18 HA3 GLY 4 2HA GLY 4 3.438 -5.874 -9.863 19 H SER 5 H SER 5 1.501 -7.391 -9.320 20 HA SER 5 HA SER 5 0.024 -7.984 -11.828 21 HB2 SER 5 1HB SER 5 0.192 -9.926 -9.487 22 HB3 SER 5 2HB SER 5 -0.818 -10.110 -10.928 23 HG SER 5 HG SER 5 1.143 -10.165 -12.174 24 H SER 6 H SER 6 -2.212 -7.792 -11.668 25 HA SER 6 HA SER 6 -3.287 -6.117 -9.568 26 HB2 SER 6 1HB SER 6 -4.711 -7.617 -11.799 27 HB3 SER 6 2HB SER 6 -5.400 -6.324 -10.796 28 HG SER 6 HG SER 6 -4.610 -5.540 -12.812 29 H GLY 7 H GLY 7 -5.048 -6.579 -8.148 30 HA2 GLY 7 1HA GLY 7 -6.235 -9.135 -7.744 31 HA3 GLY 7 2HA GLY 7 -4.880 -8.965 -6.626 32 H LYS 8 H LYS 8 -7.079 -9.314 -5.366 33 HA LYS 8 HA LYS 8 -8.651 -6.886 -4.854 34 HB2 LYS 8 1HB LYS 8 -8.829 -9.678 -3.653 35 HB3 LYS 8 2HB LYS 8 -9.982 -8.360 -3.382 36 HG2 LYS 8 1HG LYS 8 -10.513 -8.305 -5.788 37 HG3 LYS 8 2HG LYS 8 -9.405 -9.668 -6.061 38 HD2 LYS 8 1HD LYS 8 -10.731 -11.067 -4.489 39 HD3 LYS 8 2HD LYS 8 -11.854 -9.707 -4.233 40 HE2 LYS 8 1HE LYS 8 -12.343 -9.663 -6.650 41 HE3 LYS 8 2HE LYS 8 -11.221 -11.007 -6.910 42 HZ1 LYS 8 3HZ LYS 8 -13.703 -11.151 -5.272 43 HZ2 LYS 8 1HZ LYS 8 -12.667 -12.393 -5.510 44 HZ3 LYS 8 2HZ LYS 8 -13.524 -11.791 -6.761 45 H THR 9 H THR 9 -6.014 -6.420 -4.219 46 HA THR 9 HA THR 9 -6.071 -5.873 -1.299 47 HB THR 9 HB THR 9 -3.618 -7.152 -2.565 48 HG1 THR 9 1HG THR 9 -4.263 -9.070 -1.602 49 HG21 THR 9 3HG2 THR 9 -3.089 -7.696 -0.191 50 HG22 THR 9 1HG2 THR 9 -4.534 -6.802 0.326 51 HG23 THR 9 2HG2 THR 9 -3.189 -5.953 -0.470 52 H HIS 10 H HIS 10 -4.929 -4.038 -0.720 53 HA HIS 10 HA HIS 10 -3.989 -2.253 -2.891 54 HB2 HIS 10 1HB HIS 10 -4.572 -1.837 0.067 55 HB3 HIS 10 2HB HIS 10 -3.888 -0.610 -0.970 56 HD1 HIS 10 1HD HIS 10 -5.507 0.397 -2.918 57 HD2 HIS 10 2HD HIS 10 -7.211 -2.362 -0.239 58 HE1 HIS 10 1HE HIS 10 -8.026 0.600 -3.202 59 H LEU 11 H LEU 11 -1.839 -1.472 -3.003 60 HA LEU 11 HA LEU 11 0.195 -2.948 -1.388 61 HB2 LEU 11 1HB LEU 11 -0.232 -4.298 -3.281 62 HB3 LEU 11 2HB LEU 11 -0.252 -2.907 -4.376 63 HG LEU 11 HG LEU 11 2.215 -2.610 -3.987 64 HD11 LEU 11 1HD1 LEU 11 3.479 -4.499 -3.050 65 HD12 LEU 11 2HD1 LEU 11 1.971 -5.340 -2.649 66 HD13 LEU 11 3HD1 LEU 11 2.404 -3.832 -1.818 67 HD21 LEU 11 3HD2 LEU 11 2.861 -4.511 -5.396 68 HD22 LEU 11 1HD2 LEU 11 1.348 -3.778 -5.949 69 HD23 LEU 11 2HD2 LEU 11 1.307 -5.310 -5.041 70 H CYS 12 H CYS 12 1.908 -1.902 -0.817 71 HA CYS 12 HA CYS 12 2.497 0.867 -1.520 72 HB2 CYS 12 1HB CYS 12 2.906 -0.083 0.716 73 HB3 CYS 12 2HB CYS 12 3.992 -1.279 0.016 74 H ASP 13 H ASP 13 3.599 1.475 -3.287 75 HA ASP 13 HA ASP 13 4.973 -0.484 -5.006 76 HB2 ASP 13 1HB ASP 13 3.474 1.265 -5.901 77 HB3 ASP 13 2HB ASP 13 4.570 2.513 -5.298 78 H MET 14 H MET 14 5.863 1.363 -2.319 79 HA MET 14 HA MET 14 8.603 2.001 -3.238 80 HB2 MET 14 1HB MET 14 7.129 2.734 -0.686 81 HB3 MET 14 2HB MET 14 8.684 3.346 -1.218 82 HG2 MET 14 1HG MET 14 7.293 5.029 -1.727 83 HG3 MET 14 2HG MET 14 7.469 4.245 -3.292 84 HE1 MET 14 3HE MET 14 5.481 6.108 -3.656 85 HE2 MET 14 1HE MET 14 3.901 6.036 -2.832 86 HE3 MET 14 2HE MET 14 5.379 6.413 -1.909 87 H CYS 15 H CYS 15 7.004 0.116 -0.675 88 HA CYS 15 HA CYS 15 9.551 -1.359 -0.254 89 HB2 CYS 15 1HB CYS 15 9.347 -1.461 2.071 90 HB3 CYS 15 2HB CYS 15 9.328 0.218 1.563 91 H GLY 16 H GLY 16 6.404 -1.702 -1.256 92 HA2 GLY 16 1HA GLY 16 5.553 -3.653 -2.183 93 HA3 GLY 16 2HA GLY 16 6.844 -4.566 -1.426 94 H LYS 17 H LYS 17 5.140 -2.780 0.911 95 HA LYS 17 HA LYS 17 3.927 -5.158 2.090 96 HB2 LYS 17 1HB LYS 17 3.873 -2.216 2.882 97 HB3 LYS 17 2HB LYS 17 3.173 -3.520 3.849 98 HG2 LYS 17 1HG LYS 17 5.384 -4.612 4.046 99 HG3 LYS 17 2HG LYS 17 6.099 -3.369 3.005 100 HD2 LYS 17 1HD LYS 17 5.451 -1.632 4.697 101 HD3 LYS 17 2HD LYS 17 4.869 -2.920 5.755 102 HE2 LYS 17 1HE LYS 17 7.114 -2.182 6.403 103 HE3 LYS 17 2HE LYS 17 7.126 -3.877 5.907 104 HZ1 LYS 17 3HZ LYS 17 8.127 -3.269 3.841 105 HZ2 LYS 17 1HZ LYS 17 8.975 -2.453 4.976 106 HZ3 LYS 17 2HZ LYS 17 7.861 -1.681 4.037 107 H LYS 18 H LYS 18 1.862 -5.696 2.386 108 HA LYS 18 HA LYS 18 -0.128 -4.496 0.522 109 HB2 LYS 18 1HB LYS 18 0.389 -7.282 1.534 110 HB3 LYS 18 2HB LYS 18 -1.232 -6.836 1.014 111 HG2 LYS 18 1HG LYS 18 -0.497 -6.228 -1.196 112 HG3 LYS 18 2HG LYS 18 1.206 -6.342 -0.733 113 HD2 LYS 18 1HD LYS 18 0.952 -8.772 -0.332 114 HD3 LYS 18 2HD LYS 18 -0.759 -8.675 -0.810 115 HE2 LYS 18 1HE LYS 18 -0.080 -7.859 -3.059 116 HE3 LYS 18 2HE LYS 18 1.622 -7.930 -2.577 117 HZ1 LYS 18 3HZ LYS 18 -0.198 -10.278 -2.734 118 HZ2 LYS 18 1HZ LYS 18 1.374 -10.338 -2.291 119 HZ3 LYS 18 2HZ LYS 18 0.971 -9.917 -3.813 120 H PHE 19 H PHE 19 -2.127 -4.022 1.056 121 HA PHE 19 HA PHE 19 -2.999 -3.876 3.905 122 HB2 PHE 19 1HB PHE 19 -2.931 -1.619 1.856 123 HB3 PHE 19 2HB PHE 19 -3.618 -1.489 3.463 124 HD1 PHE 19 2HD PHE 19 -2.072 -1.806 5.500 125 HD2 PHE 19 1HD PHE 19 -0.575 -1.380 1.483 126 HE1 PHE 19 2HE PHE 19 0.177 -1.251 6.397 127 HE2 PHE 19 1HE PHE 19 1.672 -0.847 2.378 128 HZ PHE 19 HZ PHE 19 2.057 -0.784 4.836 129 H LYS 20 H LYS 20 -5.326 -3.569 4.160 130 HA LYS 20 HA LYS 20 -6.859 -4.588 1.817 131 HB2 LYS 20 1HB LYS 20 -6.579 -5.874 4.101 132 HB3 LYS 20 2HB LYS 20 -7.857 -4.794 4.648 133 HG2 LYS 20 1HG LYS 20 -8.830 -6.864 3.912 134 HG3 LYS 20 2HG LYS 20 -9.288 -5.623 2.745 135 HD2 LYS 20 1HD LYS 20 -7.594 -6.448 1.148 136 HD3 LYS 20 2HD LYS 20 -6.988 -7.600 2.355 137 HE2 LYS 20 1HE LYS 20 -9.155 -8.766 2.347 138 HE3 LYS 20 2HE LYS 20 -9.821 -7.571 1.224 139 HZ1 LYS 20 3HZ LYS 20 -8.213 -8.290 -0.438 140 HZ2 LYS 20 1HZ LYS 20 -9.067 -9.588 0.074 141 HZ3 LYS 20 2HZ LYS 20 -7.534 -9.366 0.595 142 H SER 21 H SER 21 -6.317 -1.695 2.859 143 HA SER 21 HA SER 21 -8.793 -0.689 1.646 144 HB2 SER 21 1HB SER 21 -9.434 -0.651 3.983 145 HB3 SER 21 2HB SER 21 -7.929 0.172 4.426 146 HG SER 21 HG SER 21 -9.814 1.567 4.172 147 H LYS 22 H LYS 22 -8.552 1.215 0.597 148 HA LYS 22 HA LYS 22 -5.955 2.119 -0.211 149 HB2 LYS 22 1HB LYS 22 -8.463 2.299 -1.227 150 HB3 LYS 22 2HB LYS 22 -8.364 3.901 -0.518 151 HG2 LYS 22 1HG LYS 22 -6.388 2.713 -2.523 152 HG3 LYS 22 2HG LYS 22 -7.767 3.731 -2.930 153 HD2 LYS 22 1HD LYS 22 -6.753 5.580 -1.545 154 HD3 LYS 22 2HD LYS 22 -5.298 4.564 -1.358 155 HE2 LYS 22 1HE LYS 22 -5.048 4.421 -3.801 156 HE3 LYS 22 2HE LYS 22 -6.524 5.359 -4.031 157 HZ1 LYS 22 3HZ LYS 22 -4.553 6.763 -4.227 158 HZ2 LYS 22 1HZ LYS 22 -4.062 6.388 -2.716 159 HZ3 LYS 22 2HZ LYS 22 -5.436 7.247 -2.946 160 H GLY 23 H GLY 23 -8.181 3.248 2.318 161 HA2 GLY 23 1HA GLY 23 -6.787 5.696 2.974 162 HA3 GLY 23 2HA GLY 23 -7.909 4.812 4.012 163 H THR 24 H THR 24 -6.500 2.321 4.190 164 HA THR 24 HA THR 24 -4.454 2.875 6.143 165 HB THR 24 HB THR 24 -4.908 0.254 4.674 166 HG1 THR 24 1HG THR 24 -6.160 1.225 7.032 167 HG21 THR 24 3HG2 THR 24 -2.890 0.343 6.123 168 HG22 THR 24 1HG2 THR 24 -4.123 -0.752 6.775 169 HG23 THR 24 2HG2 THR 24 -3.892 0.863 7.489 170 H LEU 25 H LEU 25 -4.279 1.759 2.701 171 HA LEU 25 HA LEU 25 -1.434 1.738 2.533 172 HB2 LEU 25 1HB LEU 25 -2.799 0.653 0.875 173 HB3 LEU 25 2HB LEU 25 -3.670 2.139 0.526 174 HG LEU 25 HG LEU 25 -1.554 3.136 -0.405 175 HD11 LEU 25 1HD1 LEU 25 -0.477 0.310 -0.008 176 HD12 LEU 25 2HD1 LEU 25 0.116 1.772 0.807 177 HD13 LEU 25 3HD1 LEU 25 0.321 1.590 -0.933 178 HD21 LEU 25 3HD2 LEU 25 -1.654 2.016 -2.488 179 HD22 LEU 25 1HD2 LEU 25 -3.287 1.952 -1.787 180 HD23 LEU 25 2HD2 LEU 25 -2.225 0.520 -1.744 181 H LYS 26 H LYS 26 -3.772 4.436 1.943 182 HA LYS 26 HA LYS 26 -1.861 6.397 1.169 183 HB2 LYS 26 1HB LYS 26 -4.293 6.660 0.899 184 HB3 LYS 26 2HB LYS 26 -4.510 6.698 2.653 185 HG2 LYS 26 1HG LYS 26 -3.132 8.779 2.773 186 HG3 LYS 26 2HG LYS 26 -2.906 8.708 1.022 187 HD2 LYS 26 1HD LYS 26 -4.623 10.316 1.461 188 HD3 LYS 26 2HD LYS 26 -5.418 8.899 0.754 189 HE2 LYS 26 1HE LYS 26 -6.104 8.153 3.022 190 HE3 LYS 26 2HE LYS 26 -5.253 9.525 3.742 191 HZ1 LYS 26 3HZ LYS 26 -6.781 11.011 2.559 192 HZ2 LYS 26 1HZ LYS 26 -7.626 9.984 3.502 193 HZ3 LYS 26 2HZ LYS 26 -7.569 9.747 1.888 194 H SER 27 H SER 27 -3.121 5.677 4.439 195 HA SER 27 HA SER 27 -1.542 7.481 5.931 196 HB2 SER 27 1HB SER 27 -3.474 6.087 6.729 197 HB3 SER 27 2HB SER 27 -2.390 4.682 6.769 198 HG SER 27 HG SER 27 -2.573 5.774 8.809 199 H HIS 28 H HIS 28 -0.621 4.423 4.462 200 HA HIS 28 HA HIS 28 2.001 4.308 5.804 201 HB2 HIS 28 1HB HIS 28 0.811 2.244 5.396 202 HB3 HIS 28 2HB HIS 28 0.690 2.586 3.672 203 HD1 HIS 28 1HD HIS 28 3.381 1.687 6.290 204 HD2 HIS 28 2HD HIS 28 2.750 2.015 2.144 205 HE1 HIS 28 1HE HIS 28 5.465 0.734 5.196 206 H LYS 29 H LYS 29 0.791 5.076 2.490 207 HA LYS 29 HA LYS 29 3.375 5.547 1.329 208 HB2 LYS 29 1HB LYS 29 0.549 6.354 0.595 209 HB3 LYS 29 2HB LYS 29 1.942 6.978 -0.304 210 HG2 LYS 29 1HG LYS 29 2.734 4.655 -0.708 211 HG3 LYS 29 2HG LYS 29 1.276 4.024 0.075 212 HD2 LYS 29 1HD LYS 29 -0.145 5.005 -1.639 213 HD3 LYS 29 2HD LYS 29 1.220 5.909 -2.322 214 HE2 LYS 29 1HE LYS 29 2.358 3.770 -2.888 215 HE3 LYS 29 2HE LYS 29 0.958 2.875 -2.289 216 HZ1 LYS 29 3HZ LYS 29 -0.390 4.003 -4.006 217 HZ2 LYS 29 1HZ LYS 29 0.826 3.157 -4.688 218 HZ3 LYS 29 2HZ LYS 29 0.931 4.781 -4.571 219 H LEU 30 H LEU 30 1.325 7.720 3.216 220 HA LEU 30 HA LEU 30 2.795 10.132 2.849 221 HB2 LEU 30 1HB LEU 30 1.290 8.963 5.219 222 HB3 LEU 30 2HB LEU 30 1.968 10.584 5.253 223 HG LEU 30 HG LEU 30 -0.066 9.691 3.165 224 HD11 LEU 30 1HD1 LEU 30 -0.980 9.596 5.455 225 HD12 LEU 30 2HD1 LEU 30 -1.703 10.917 4.518 226 HD13 LEU 30 3HD1 LEU 30 -0.453 11.267 5.740 227 HD21 LEU 30 3HD2 LEU 30 0.960 12.438 3.990 228 HD22 LEU 30 1HD2 LEU 30 -0.374 12.128 2.854 229 HD23 LEU 30 2HD2 LEU 30 1.266 11.619 2.443 230 H LEU 31 H LEU 31 3.746 7.264 4.597 231 HA LEU 31 HA LEU 31 5.956 8.533 6.042 232 HB2 LEU 31 1HB LEU 31 5.579 5.582 5.438 233 HB3 LEU 31 2HB LEU 31 6.585 6.296 6.681 234 HG LEU 31 HG LEU 31 3.534 6.380 6.636 235 HD11 LEU 31 1HD1 LEU 31 4.455 4.135 7.050 236 HD12 LEU 31 2HD1 LEU 31 3.684 4.803 8.499 237 HD13 LEU 31 3HD1 LEU 31 5.459 4.781 8.368 238 HD21 LEU 31 3HD2 LEU 31 3.746 7.198 8.963 239 HD22 LEU 31 1HD2 LEU 31 4.444 8.342 7.813 240 HD23 LEU 31 2HD2 LEU 31 5.513 7.293 8.772 241 H HIS 32 H HIS 32 5.543 7.428 2.784 242 HA HIS 32 HA HIS 32 8.480 7.225 2.295 243 HB2 HIS 32 1HB HIS 32 6.072 6.466 0.600 244 HB3 HIS 32 2HB HIS 32 7.743 6.387 0.065 245 HD1 HIS 32 1HD HIS 32 9.356 4.610 1.545 246 HD2 HIS 32 2HD HIS 32 5.170 4.266 1.661 247 HE1 HIS 32 1HE HIS 32 8.879 2.207 2.216 248 H THR 33 H THR 33 5.616 9.189 1.359 249 HA THR 33 HA THR 33 6.986 10.575 -0.759 250 HB THR 33 HB THR 33 5.056 12.147 -0.696 251 HG1 THR 33 1HG THR 33 3.372 11.705 0.657 252 HG21 THR 33 3HG2 THR 33 4.308 9.190 -0.713 253 HG22 THR 33 1HG2 THR 33 4.987 10.102 -2.077 254 HG23 THR 33 2HG2 THR 33 3.384 10.517 -1.446 255 H ALA 34 H ALA 34 7.585 12.742 -0.945 256 HA ALA 34 HA ALA 34 8.719 13.917 1.551 257 HB1 ALA 34 1HB ALA 34 9.773 13.982 -1.302 258 HB2 ALA 34 2HB ALA 34 10.580 14.630 0.142 259 HB3 ALA 34 3HB ALA 34 10.326 12.884 -0.015 260 H ASP 35 H ASP 35 6.092 14.554 -0.138 261 HA ASP 35 HA ASP 35 6.289 17.495 0.151 262 HB2 ASP 35 1HB ASP 35 6.887 17.001 -2.200 263 HB3 ASP 35 2HB ASP 35 5.394 16.082 -2.394 264 H GLY 36 H GLY 36 4.333 18.519 0.558 265 HA2 GLY 36 1HA GLY 36 1.715 17.374 0.454 266 HA3 GLY 36 2HA GLY 36 2.376 17.148 2.073 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 3.296 -11.738 2.658 2 H2 GLY 1 2H GLY 1 4.316 -11.062 1.568 3 H3 GLY 1 3H GLY 1 4.825 -12.304 2.510 4 HA2 GLY 1 1HA GLY 1 4.406 -13.107 0.292 5 HA3 GLY 1 2HA GLY 1 3.277 -13.820 1.458 6 H SER 2 H SER 2 1.537 -14.159 0.122 7 HA SER 2 HA SER 2 -0.110 -11.850 -0.608 8 HB2 SER 2 1HB SER 2 1.394 -12.205 -2.610 9 HB3 SER 2 2HB SER 2 0.724 -13.839 -2.763 10 HG SER 2 HG SER 2 -0.375 -12.350 -4.086 11 H SER 3 H SER 3 -2.300 -12.503 -1.160 12 HA SER 3 HA SER 3 -3.235 -15.002 0.080 13 HB2 SER 3 1HB SER 3 -4.766 -12.765 -1.293 14 HB3 SER 3 2HB SER 3 -5.482 -14.132 -0.415 15 HG SER 3 HG SER 3 -5.285 -12.250 0.899 16 H GLY 4 H GLY 4 -1.667 -15.922 -1.733 17 HA2 GLY 4 1HA GLY 4 -1.325 -17.143 -3.643 18 HA3 GLY 4 2HA GLY 4 -3.071 -17.418 -3.703 19 H SER 5 H SER 5 -2.041 -14.102 -3.827 20 HA SER 5 HA SER 5 -2.639 -12.468 -5.238 21 HB2 SER 5 1HB SER 5 -1.302 -14.228 -7.308 22 HB3 SER 5 2HB SER 5 -1.654 -12.496 -7.482 23 HG SER 5 HG SER 5 0.493 -12.897 -6.736 24 H SER 6 H SER 6 -4.660 -14.568 -4.817 25 HA SER 6 HA SER 6 -6.315 -14.404 -7.297 26 HB2 SER 6 1HB SER 6 -5.808 -16.609 -6.237 27 HB3 SER 6 2HB SER 6 -6.725 -16.102 -4.811 28 HG SER 6 HG SER 6 -8.589 -16.000 -6.081 29 H GLY 7 H GLY 7 -6.446 -13.654 -3.797 30 HA2 GLY 7 1HA GLY 7 -9.007 -12.216 -3.982 31 HA3 GLY 7 2HA GLY 7 -7.932 -12.295 -2.588 32 H LYS 8 H LYS 8 -9.252 -9.944 -3.686 33 HA LYS 8 HA LYS 8 -7.118 -8.284 -4.870 34 HB2 LYS 8 1HB LYS 8 -9.504 -8.059 -5.572 35 HB3 LYS 8 2HB LYS 8 -9.904 -7.458 -3.954 36 HG2 LYS 8 1HG LYS 8 -8.429 -5.545 -4.248 37 HG3 LYS 8 2HG LYS 8 -7.900 -6.154 -5.836 38 HD2 LYS 8 1HD LYS 8 -10.132 -5.876 -6.766 39 HD3 LYS 8 2HD LYS 8 -10.822 -5.606 -5.159 40 HE2 LYS 8 1HE LYS 8 -10.696 -3.480 -6.152 41 HE3 LYS 8 2HE LYS 8 -9.442 -3.574 -4.906 42 HZ1 LYS 8 3HZ LYS 8 -7.805 -3.947 -6.689 43 HZ2 LYS 8 1HZ LYS 8 -8.612 -2.561 -6.979 44 HZ3 LYS 8 2HZ LYS 8 -8.974 -3.900 -7.833 45 H THR 9 H THR 9 -5.801 -6.970 -3.829 46 HA THR 9 HA THR 9 -6.225 -6.130 -1.012 47 HB THR 9 HB THR 9 -3.630 -7.469 -1.880 48 HG1 THR 9 1HG THR 9 -5.792 -8.591 -0.424 49 HG21 THR 9 3HG2 THR 9 -3.317 -7.724 0.589 50 HG22 THR 9 1HG2 THR 9 -4.783 -6.756 0.853 51 HG23 THR 9 2HG2 THR 9 -3.358 -6.035 0.068 52 H HIS 10 H HIS 10 -5.046 -4.207 -0.485 53 HA HIS 10 HA HIS 10 -4.096 -2.645 -2.809 54 HB2 HIS 10 1HB HIS 10 -4.556 -1.961 0.114 55 HB3 HIS 10 2HB HIS 10 -3.822 -0.859 -1.037 56 HD1 HIS 10 1HD HIS 10 -5.421 0.308 -2.807 57 HD2 HIS 10 2HD HIS 10 -7.223 -2.610 -0.370 58 HE1 HIS 10 1HE HIS 10 -7.929 0.508 -3.192 59 H LEU 11 H LEU 11 -1.964 -2.006 -3.149 60 HA LEU 11 HA LEU 11 0.145 -3.248 -1.438 61 HB2 LEU 11 1HB LEU 11 -0.247 -4.831 -3.127 62 HB3 LEU 11 2HB LEU 11 -0.397 -3.598 -4.388 63 HG LEU 11 HG LEU 11 2.063 -3.136 -4.183 64 HD11 LEU 11 1HD1 LEU 11 2.022 -5.624 -2.422 65 HD12 LEU 11 2HD1 LEU 11 2.443 -3.987 -1.880 66 HD13 LEU 11 3HD1 LEU 11 3.471 -4.814 -3.051 67 HD21 LEU 11 3HD2 LEU 11 1.169 -4.654 -5.901 68 HD22 LEU 11 1HD2 LEU 11 1.284 -6.021 -4.770 69 HD23 LEU 11 2HD2 LEU 11 2.756 -5.194 -5.333 70 H CYS 12 H CYS 12 1.816 -2.062 -1.025 71 HA CYS 12 HA CYS 12 2.229 0.613 -2.129 72 HB2 CYS 12 1HB CYS 12 2.566 -0.171 0.278 73 HB3 CYS 12 2HB CYS 12 3.980 -1.057 -0.290 74 H ASP 13 H ASP 13 3.203 0.864 -4.087 75 HA ASP 13 HA ASP 13 4.972 -1.148 -5.252 76 HB2 ASP 13 1HB ASP 13 5.096 0.367 -7.134 77 HB3 ASP 13 2HB ASP 13 3.426 0.152 -6.630 78 H MET 14 H MET 14 5.495 1.150 -2.872 79 HA MET 14 HA MET 14 8.193 1.995 -3.738 80 HB2 MET 14 1HB MET 14 6.553 2.694 -1.282 81 HB3 MET 14 2HB MET 14 8.083 3.413 -1.739 82 HG2 MET 14 1HG MET 14 7.075 4.256 -3.825 83 HG3 MET 14 2HG MET 14 5.525 3.531 -3.384 84 HE1 MET 14 3HE MET 14 4.319 5.811 -3.801 85 HE2 MET 14 1HE MET 14 4.787 7.345 -3.033 86 HE3 MET 14 2HE MET 14 5.870 6.577 -4.219 87 H CYS 15 H CYS 15 6.737 0.016 -1.175 88 HA CYS 15 HA CYS 15 9.431 -1.071 -0.487 89 HB2 CYS 15 1HB CYS 15 8.835 -1.183 1.830 90 HB3 CYS 15 2HB CYS 15 8.792 0.471 1.223 91 H GLY 16 H GLY 16 6.205 -1.824 -1.424 92 HA2 GLY 16 1HA GLY 16 5.561 -3.918 -2.282 93 HA3 GLY 16 2HA GLY 16 6.874 -4.702 -1.423 94 H LYS 17 H LYS 17 5.229 -2.771 0.802 95 HA LYS 17 HA LYS 17 3.976 -5.042 2.131 96 HB2 LYS 17 1HB LYS 17 3.965 -2.046 2.699 97 HB3 LYS 17 2HB LYS 17 3.184 -3.246 3.732 98 HG2 LYS 17 1HG LYS 17 5.378 -4.411 4.022 99 HG3 LYS 17 2HG LYS 17 6.158 -3.151 3.049 100 HD2 LYS 17 1HD LYS 17 5.457 -1.437 4.706 101 HD3 LYS 17 2HD LYS 17 4.698 -2.712 5.690 102 HE2 LYS 17 1HE LYS 17 6.914 -3.861 5.856 103 HE3 LYS 17 2HE LYS 17 7.650 -2.557 4.917 104 HZ1 LYS 17 3HZ LYS 17 7.044 -1.014 6.704 105 HZ2 LYS 17 1HZ LYS 17 7.955 -2.226 7.307 106 HZ3 LYS 17 2HZ LYS 17 6.345 -2.215 7.568 107 H LYS 18 H LYS 18 1.949 -5.611 2.421 108 HA LYS 18 HA LYS 18 -0.115 -4.474 0.611 109 HB2 LYS 18 1HB LYS 18 0.333 -7.192 1.852 110 HB3 LYS 18 2HB LYS 18 -1.241 -6.721 1.229 111 HG2 LYS 18 1HG LYS 18 -0.347 -6.317 -1.000 112 HG3 LYS 18 2HG LYS 18 1.303 -6.618 -0.437 113 HD2 LYS 18 1HD LYS 18 0.585 -8.955 0.224 114 HD3 LYS 18 2HD LYS 18 -1.004 -8.612 -0.473 115 HE2 LYS 18 1HE LYS 18 0.087 -9.776 -2.187 116 HE3 LYS 18 2HE LYS 18 0.217 -8.085 -2.678 117 HZ1 LYS 18 3HZ LYS 18 2.330 -9.687 -1.325 118 HZ2 LYS 18 1HZ LYS 18 2.506 -8.109 -1.736 119 HZ3 LYS 18 2HZ LYS 18 2.344 -9.245 -2.901 120 H PHE 19 H PHE 19 -2.102 -3.948 1.222 121 HA PHE 19 HA PHE 19 -2.753 -3.609 4.115 122 HB2 PHE 19 1HB PHE 19 -2.808 -1.491 1.929 123 HB3 PHE 19 2HB PHE 19 -3.411 -1.260 3.559 124 HD1 PHE 19 2HD PHE 19 -1.788 -1.491 5.539 125 HD2 PHE 19 1HD PHE 19 -0.455 -1.316 1.446 126 HE1 PHE 19 2HE PHE 19 0.509 -0.956 6.311 127 HE2 PHE 19 1HE PHE 19 1.842 -0.812 2.221 128 HZ PHE 19 HZ PHE 19 2.333 -0.631 4.652 129 H LYS 20 H LYS 20 -4.961 -3.182 4.602 130 HA LYS 20 HA LYS 20 -6.789 -4.872 3.127 131 HB2 LYS 20 1HB LYS 20 -7.459 -2.903 5.365 132 HB3 LYS 20 2HB LYS 20 -8.393 -4.313 4.852 133 HG2 LYS 20 1HG LYS 20 -6.419 -5.753 5.537 134 HG3 LYS 20 2HG LYS 20 -5.696 -4.280 6.235 135 HD2 LYS 20 1HD LYS 20 -7.659 -4.005 7.717 136 HD3 LYS 20 2HD LYS 20 -8.390 -5.473 7.026 137 HE2 LYS 20 1HE LYS 20 -6.431 -6.802 7.793 138 HE3 LYS 20 2HE LYS 20 -5.713 -5.346 8.492 139 HZ1 LYS 20 3HZ LYS 20 -7.639 -5.194 9.983 140 HZ2 LYS 20 1HZ LYS 20 -6.902 -6.637 10.169 141 HZ3 LYS 20 2HZ LYS 20 -8.301 -6.543 9.336 142 H SER 21 H SER 21 -6.270 -1.426 3.138 143 HA SER 21 HA SER 21 -8.537 -0.914 1.282 144 HB2 SER 21 1HB SER 21 -9.431 -0.798 3.560 145 HB3 SER 21 2HB SER 21 -8.143 0.301 4.044 146 HG SER 21 HG SER 21 -10.178 1.345 3.474 147 H LYS 22 H LYS 22 -8.471 1.140 0.281 148 HA LYS 22 HA LYS 22 -5.900 2.144 -0.468 149 HB2 LYS 22 1HB LYS 22 -8.255 2.303 -1.654 150 HB3 LYS 22 2HB LYS 22 -8.439 3.782 -0.704 151 HG2 LYS 22 1HG LYS 22 -6.221 4.563 -1.672 152 HG3 LYS 22 2HG LYS 22 -6.237 3.145 -2.722 153 HD2 LYS 22 1HD LYS 22 -8.346 5.353 -2.663 154 HD3 LYS 22 2HD LYS 22 -7.041 5.205 -3.846 155 HE2 LYS 22 1HE LYS 22 -7.955 3.009 -4.584 156 HE3 LYS 22 2HE LYS 22 -9.284 3.177 -3.426 157 HZ1 LYS 22 3HZ LYS 22 -8.759 5.027 -5.692 158 HZ2 LYS 22 1HZ LYS 22 -9.983 5.184 -4.620 159 HZ3 LYS 22 2HZ LYS 22 -9.947 3.912 -5.640 160 H GLY 23 H GLY 23 -8.211 3.241 1.999 161 HA2 GLY 23 1HA GLY 23 -6.886 5.690 2.736 162 HA3 GLY 23 2HA GLY 23 -7.997 4.748 3.741 163 H THR 24 H THR 24 -6.518 2.310 3.895 164 HA THR 24 HA THR 24 -4.559 2.874 5.928 165 HB THR 24 HB THR 24 -4.840 0.274 4.391 166 HG1 THR 24 1HG THR 24 -6.360 1.142 6.620 167 HG21 THR 24 3HG2 THR 24 -4.199 -0.749 6.518 168 HG22 THR 24 1HG2 THR 24 -4.137 0.849 7.303 169 HG23 THR 24 2HG2 THR 24 -2.972 0.436 6.030 170 H LEU 25 H LEU 25 -4.238 1.758 2.507 171 HA LEU 25 HA LEU 25 -1.391 1.753 2.407 172 HB2 LEU 25 1HB LEU 25 -2.721 0.640 0.737 173 HB3 LEU 25 2HB LEU 25 -3.588 2.119 0.351 174 HG LEU 25 HG LEU 25 -1.481 3.105 -0.583 175 HD11 LEU 25 1HD1 LEU 25 -0.359 0.304 -0.155 176 HD12 LEU 25 2HD1 LEU 25 0.194 1.774 0.677 177 HD13 LEU 25 3HD1 LEU 25 0.420 1.608 -1.066 178 HD21 LEU 25 3HD2 LEU 25 -2.189 0.433 -1.821 179 HD22 LEU 25 1HD2 LEU 25 -1.503 1.852 -2.630 180 HD23 LEU 25 2HD2 LEU 25 -3.154 1.924 -1.983 181 H LYS 26 H LYS 26 -3.728 4.407 1.693 182 HA LYS 26 HA LYS 26 -1.804 6.381 0.970 183 HB2 LYS 26 1HB LYS 26 -4.195 6.575 0.504 184 HB3 LYS 26 2HB LYS 26 -4.565 6.677 2.232 185 HG2 LYS 26 1HG LYS 26 -3.243 8.755 2.422 186 HG3 LYS 26 2HG LYS 26 -2.816 8.666 0.710 187 HD2 LYS 26 1HD LYS 26 -5.646 8.960 1.818 188 HD3 LYS 26 2HD LYS 26 -4.637 10.289 1.225 189 HE2 LYS 26 1HE LYS 26 -4.538 9.194 -1.021 190 HE3 LYS 26 2HE LYS 26 -5.618 7.921 -0.434 191 HZ1 LYS 26 3HZ LYS 26 -7.308 9.638 -0.032 192 HZ2 LYS 26 1HZ LYS 26 -6.850 9.660 -1.598 193 HZ3 LYS 26 2HZ LYS 26 -6.309 10.810 -0.578 194 H SER 27 H SER 27 -3.272 5.718 4.174 195 HA SER 27 HA SER 27 -1.810 7.645 5.668 196 HB2 SER 27 1HB SER 27 -2.855 4.930 6.575 197 HB3 SER 27 2HB SER 27 -2.341 6.255 7.633 198 HG SER 27 HG SER 27 -4.552 6.164 5.855 199 H HIS 28 H HIS 28 -0.807 4.510 4.469 200 HA HIS 28 HA HIS 28 1.708 4.435 6.000 201 HB2 HIS 28 1HB HIS 28 0.784 2.320 5.515 202 HB3 HIS 28 2HB HIS 28 0.450 2.729 3.839 203 HD1 HIS 28 1HD HIS 28 3.529 1.989 6.061 204 HD2 HIS 28 2HD HIS 28 2.295 2.275 2.052 205 HE1 HIS 28 1HE HIS 28 5.502 1.197 4.673 206 H LYS 29 H LYS 29 0.774 5.146 2.582 207 HA LYS 29 HA LYS 29 3.422 5.633 1.666 208 HB2 LYS 29 1HB LYS 29 0.660 6.301 0.640 209 HB3 LYS 29 2HB LYS 29 2.076 7.028 -0.132 210 HG2 LYS 29 1HG LYS 29 3.089 4.795 -0.445 211 HG3 LYS 29 2HG LYS 29 1.642 4.030 0.237 212 HD2 LYS 29 1HD LYS 29 0.281 4.778 -1.606 213 HD3 LYS 29 2HD LYS 29 1.541 5.902 -2.165 214 HE2 LYS 29 1HE LYS 29 3.056 3.992 -2.617 215 HE3 LYS 29 2HE LYS 29 1.794 2.859 -2.139 216 HZ1 LYS 29 3HZ LYS 29 1.988 3.289 -4.585 217 HZ2 LYS 29 1HZ LYS 29 1.492 4.818 -4.359 218 HZ3 LYS 29 2HZ LYS 29 0.471 3.585 -4.014 219 H LEU 30 H LEU 30 1.337 7.827 3.424 220 HA LEU 30 HA LEU 30 2.746 10.263 3.007 221 HB2 LEU 30 1HB LEU 30 1.418 9.090 5.485 222 HB3 LEU 30 2HB LEU 30 2.036 10.735 5.420 223 HG LEU 30 HG LEU 30 -0.145 9.674 3.577 224 HD11 LEU 30 1HD1 LEU 30 -0.831 9.767 5.957 225 HD12 LEU 30 2HD1 LEU 30 -1.674 10.977 4.973 226 HD13 LEU 30 3HD1 LEU 30 -0.328 11.469 6.028 227 HD21 LEU 30 3HD2 LEU 30 -0.544 12.082 3.115 228 HD22 LEU 30 1HD2 LEU 30 1.043 11.551 2.553 229 HD23 LEU 30 2HD2 LEU 30 0.909 12.491 4.058 230 H LEU 31 H LEU 31 3.780 7.409 4.799 231 HA LEU 31 HA LEU 31 5.969 8.740 6.194 232 HB2 LEU 31 1HB LEU 31 5.510 5.773 5.729 233 HB3 LEU 31 2HB LEU 31 6.566 6.500 6.927 234 HG LEU 31 HG LEU 31 3.516 6.717 6.913 235 HD11 LEU 31 1HD1 LEU 31 5.401 5.134 8.704 236 HD12 LEU 31 2HD1 LEU 31 4.346 4.461 7.441 237 HD13 LEU 31 3HD1 LEU 31 3.632 5.241 8.862 238 HD21 LEU 31 3HD2 LEU 31 5.564 7.665 8.967 239 HD22 LEU 31 1HD2 LEU 31 3.800 7.644 9.194 240 HD23 LEU 31 2HD2 LEU 31 4.512 8.701 7.971 241 H HIS 32 H HIS 32 5.648 7.559 2.958 242 HA HIS 32 HA HIS 32 8.560 7.172 2.569 243 HB2 HIS 32 1HB HIS 32 6.173 6.908 0.708 244 HB3 HIS 32 2HB HIS 32 7.839 6.681 0.206 245 HD1 HIS 32 1HD HIS 32 9.108 4.717 2.097 246 HD2 HIS 32 2HD HIS 32 5.141 4.548 0.749 247 HE1 HIS 32 1HE HIS 32 8.445 2.270 2.209 248 H THR 33 H THR 33 6.625 9.905 2.726 249 HA THR 33 HA THR 33 8.319 11.424 0.797 250 HB THR 33 HB THR 33 6.229 10.675 -0.305 251 HG1 THR 33 1HG THR 33 5.835 12.689 -1.180 252 HG21 THR 33 3HG2 THR 33 4.109 11.775 0.192 253 HG22 THR 33 1HG2 THR 33 4.821 12.612 1.588 254 HG23 THR 33 2HG2 THR 33 4.644 10.842 1.595 255 H ALA 34 H ALA 34 7.871 13.812 0.935 256 HA ALA 34 HA ALA 34 8.207 14.651 3.761 257 HB1 ALA 34 1HB ALA 34 8.773 16.107 1.146 258 HB2 ALA 34 2HB ALA 34 9.203 16.667 2.774 259 HB3 ALA 34 3HB ALA 34 9.963 15.208 2.116 260 H ASP 35 H ASP 35 7.317 16.796 4.395 261 HA ASP 35 HA ASP 35 4.446 16.921 3.994 262 HB2 ASP 35 1HB ASP 35 6.389 18.742 5.469 263 HB3 ASP 35 2HB ASP 35 4.635 18.898 5.524 264 H GLY 36 H GLY 36 7.056 18.397 2.291 265 HA2 GLY 36 1HA GLY 36 5.389 19.731 0.371 266 HA3 GLY 36 2HA GLY 36 6.066 20.915 1.492 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -6.828 -20.457 -13.942 2 H2 GLY 1 2H GLY 1 -6.446 -19.106 -14.788 3 H3 GLY 1 3H GLY 1 -8.009 -19.579 -14.665 4 HA2 GLY 1 1HA GLY 1 -8.009 -19.188 -12.286 5 HA3 GLY 1 2HA GLY 1 -6.323 -18.657 -12.430 6 H SER 2 H SER 2 -6.957 -16.617 -11.527 7 HA SER 2 HA SER 2 -7.903 -14.660 -13.532 8 HB2 SER 2 1HB SER 2 -9.572 -13.699 -12.114 9 HB3 SER 2 2HB SER 2 -9.922 -15.426 -12.231 10 HG SER 2 HG SER 2 -10.081 -14.767 -10.100 11 H SER 3 H SER 3 -7.768 -12.366 -12.507 12 HA SER 3 HA SER 3 -5.117 -11.968 -11.346 13 HB2 SER 3 1HB SER 3 -5.578 -9.595 -11.745 14 HB3 SER 3 2HB SER 3 -5.884 -10.581 -13.181 15 HG SER 3 HG SER 3 -7.628 -9.252 -12.988 16 H GLY 4 H GLY 4 -7.101 -13.307 -9.593 17 HA2 GLY 4 1HA GLY 4 -7.470 -13.276 -7.291 18 HA3 GLY 4 2HA GLY 4 -6.864 -11.622 -7.187 19 H SER 5 H SER 5 -9.513 -12.888 -9.260 20 HA SER 5 HA SER 5 -11.299 -10.738 -8.714 21 HB2 SER 5 1HB SER 5 -12.982 -12.123 -9.863 22 HB3 SER 5 2HB SER 5 -11.447 -12.054 -10.744 23 HG SER 5 HG SER 5 -12.428 -14.198 -10.533 24 H SER 6 H SER 6 -10.827 -13.735 -6.932 25 HA SER 6 HA SER 6 -13.240 -13.691 -5.384 26 HB2 SER 6 1HB SER 6 -10.511 -14.816 -4.652 27 HB3 SER 6 2HB SER 6 -12.060 -15.230 -3.895 28 HG SER 6 HG SER 6 -11.447 -16.768 -5.483 29 H GLY 7 H GLY 7 -10.422 -11.649 -5.173 30 HA2 GLY 7 1HA GLY 7 -11.489 -9.840 -3.366 31 HA3 GLY 7 2HA GLY 7 -10.576 -10.961 -2.357 32 H LYS 8 H LYS 8 -10.363 -8.074 -3.788 33 HA LYS 8 HA LYS 8 -7.564 -8.161 -4.746 34 HB2 LYS 8 1HB LYS 8 -9.593 -5.892 -4.589 35 HB3 LYS 8 2HB LYS 8 -7.991 -5.759 -5.313 36 HG2 LYS 8 1HG LYS 8 -10.156 -7.637 -6.325 37 HG3 LYS 8 2HG LYS 8 -9.820 -6.015 -6.932 38 HD2 LYS 8 1HD LYS 8 -7.447 -6.744 -7.434 39 HD3 LYS 8 2HD LYS 8 -7.932 -8.414 -7.030 40 HE2 LYS 8 1HE LYS 8 -9.691 -8.347 -8.714 41 HE3 LYS 8 2HE LYS 8 -9.365 -6.633 -9.024 42 HZ1 LYS 8 3HZ LYS 8 -8.325 -8.164 -10.690 43 HZ2 LYS 8 1HZ LYS 8 -7.379 -8.797 -9.524 44 HZ3 LYS 8 2HZ LYS 8 -7.221 -7.223 -9.937 45 H THR 9 H THR 9 -5.965 -6.676 -3.996 46 HA THR 9 HA THR 9 -6.150 -5.861 -1.125 47 HB THR 9 HB THR 9 -3.664 -7.190 -2.254 48 HG1 THR 9 1HG THR 9 -5.251 -8.759 -2.296 49 HG21 THR 9 3HG2 THR 9 -4.683 -6.695 0.579 50 HG22 THR 9 1HG2 THR 9 -3.292 -5.911 -0.207 51 HG23 THR 9 2HG2 THR 9 -3.239 -7.640 0.165 52 H HIS 10 H HIS 10 -4.956 -4.016 -0.575 53 HA HIS 10 HA HIS 10 -4.008 -2.342 -2.832 54 HB2 HIS 10 1HB HIS 10 -4.528 -1.783 0.110 55 HB3 HIS 10 2HB HIS 10 -3.833 -0.617 -1.002 56 HD1 HIS 10 1HD HIS 10 -5.463 0.476 -2.824 57 HD2 HIS 10 2HD HIS 10 -7.176 -2.423 -0.299 58 HE1 HIS 10 1HE HIS 10 -7.981 0.650 -3.150 59 H LEU 11 H LEU 11 -1.855 -1.595 -3.028 60 HA LEU 11 HA LEU 11 0.203 -3.018 -1.398 61 HB2 LEU 11 1HB LEU 11 -0.260 -4.448 -3.218 62 HB3 LEU 11 2HB LEU 11 -0.309 -3.109 -4.375 63 HG LEU 11 HG LEU 11 2.164 -2.802 -4.086 64 HD11 LEU 11 1HD1 LEU 11 1.969 -5.435 -2.558 65 HD12 LEU 11 2HD1 LEU 11 2.434 -3.874 -1.852 66 HD13 LEU 11 3HD1 LEU 11 3.462 -4.627 -3.073 67 HD21 LEU 11 3HD2 LEU 11 1.251 -5.582 -4.920 68 HD22 LEU 11 1HD2 LEU 11 2.774 -4.787 -5.390 69 HD23 LEU 11 2HD2 LEU 11 1.227 -4.122 -5.937 70 H CYS 12 H CYS 12 1.930 -1.950 -0.906 71 HA CYS 12 HA CYS 12 2.515 0.784 -1.751 72 HB2 CYS 12 1HB CYS 12 2.917 -0.102 0.538 73 HB3 CYS 12 2HB CYS 12 4.055 -1.276 -0.128 74 H ASP 13 H ASP 13 3.523 1.230 -3.659 75 HA ASP 13 HA ASP 13 5.139 -0.825 -5.025 76 HB2 ASP 13 1HB ASP 13 5.233 0.695 -6.889 77 HB3 ASP 13 2HB ASP 13 3.582 0.423 -6.359 78 H MET 14 H MET 14 5.820 1.394 -2.590 79 HA MET 14 HA MET 14 8.571 2.001 -3.473 80 HB2 MET 14 1HB MET 14 7.146 2.621 -0.866 81 HB3 MET 14 2HB MET 14 8.716 3.211 -1.369 82 HG2 MET 14 1HG MET 14 7.405 4.974 -1.756 83 HG3 MET 14 2HG MET 14 7.494 4.280 -3.374 84 HE1 MET 14 3HE MET 14 4.020 6.185 -2.664 85 HE2 MET 14 1HE MET 14 5.549 6.452 -1.791 86 HE3 MET 14 2HE MET 14 5.562 6.245 -3.554 87 H CYS 15 H CYS 15 6.976 0.044 -0.927 88 HA CYS 15 HA CYS 15 9.543 -1.395 -0.498 89 HB2 CYS 15 1HB CYS 15 9.369 -1.398 1.830 90 HB3 CYS 15 2HB CYS 15 9.320 0.256 1.252 91 H GLY 16 H GLY 16 6.377 -1.814 -1.426 92 HA2 GLY 16 1HA GLY 16 5.552 -3.815 -2.264 93 HA3 GLY 16 2HA GLY 16 6.851 -4.679 -1.466 94 H LYS 17 H LYS 17 5.141 -2.795 0.783 95 HA LYS 17 HA LYS 17 3.939 -5.130 2.071 96 HB2 LYS 17 1HB LYS 17 3.931 -2.162 2.764 97 HB3 LYS 17 2HB LYS 17 3.244 -3.425 3.790 98 HG2 LYS 17 1HG LYS 17 5.456 -4.524 3.972 99 HG3 LYS 17 2HG LYS 17 6.150 -3.313 2.879 100 HD2 LYS 17 1HD LYS 17 5.534 -1.525 4.531 101 HD3 LYS 17 2HD LYS 17 4.987 -2.784 5.641 102 HE2 LYS 17 1HE LYS 17 7.245 -2.018 6.206 103 HE3 LYS 17 2HE LYS 17 7.253 -3.725 5.760 104 HZ1 LYS 17 3HZ LYS 17 9.067 -2.321 4.737 105 HZ2 LYS 17 1HZ LYS 17 7.923 -1.584 3.806 106 HZ3 LYS 17 2HZ LYS 17 8.194 -3.176 3.652 107 H LYS 18 H LYS 18 1.868 -5.626 2.431 108 HA LYS 18 HA LYS 18 -0.142 -4.449 0.574 109 HB2 LYS 18 1HB LYS 18 0.343 -7.220 1.657 110 HB3 LYS 18 2HB LYS 18 -1.261 -6.757 1.099 111 HG2 LYS 18 1HG LYS 18 -0.466 -6.208 -1.113 112 HG3 LYS 18 2HG LYS 18 1.224 -6.385 -0.616 113 HD2 LYS 18 1HD LYS 18 0.859 -8.787 -0.162 114 HD3 LYS 18 2HD LYS 18 -0.841 -8.629 -0.668 115 HE2 LYS 18 1HE LYS 18 -0.096 -7.896 -2.925 116 HE3 LYS 18 2HE LYS 18 1.594 -8.042 -2.419 117 HZ1 LYS 18 3HZ LYS 18 0.857 -10.022 -3.619 118 HZ2 LYS 18 1HZ LYS 18 -0.341 -10.297 -2.548 119 HZ3 LYS 18 2HZ LYS 18 1.220 -10.427 -2.081 120 H PHE 19 H PHE 19 -2.142 -3.936 1.141 121 HA PHE 19 HA PHE 19 -2.833 -3.666 4.030 122 HB2 PHE 19 1HB PHE 19 -2.846 -1.495 1.900 123 HB3 PHE 19 2HB PHE 19 -3.463 -1.302 3.532 124 HD1 PHE 19 2HD PHE 19 -1.872 -1.570 5.513 125 HD2 PHE 19 1HD PHE 19 -0.482 -1.348 1.442 126 HE1 PHE 19 2HE PHE 19 0.423 -1.068 6.324 127 HE2 PHE 19 1HE PHE 19 1.807 -0.866 2.253 128 HZ PHE 19 HZ PHE 19 2.270 -0.736 4.694 129 H LYS 20 H LYS 20 -4.968 -3.277 4.545 130 HA LYS 20 HA LYS 20 -6.896 -4.784 3.010 131 HB2 LYS 20 1HB LYS 20 -8.370 -4.344 4.937 132 HB3 LYS 20 2HB LYS 20 -6.787 -4.947 5.424 133 HG2 LYS 20 1HG LYS 20 -6.069 -2.674 6.064 134 HG3 LYS 20 2HG LYS 20 -7.605 -2.002 5.485 135 HD2 LYS 20 1HD LYS 20 -8.844 -3.203 7.208 136 HD3 LYS 20 2HD LYS 20 -7.395 -4.090 7.692 137 HE2 LYS 20 1HE LYS 20 -7.842 -2.327 9.294 138 HE3 LYS 20 2HE LYS 20 -6.315 -2.028 8.463 139 HZ1 LYS 20 3HZ LYS 20 -8.882 -0.700 7.757 140 HZ2 LYS 20 1HZ LYS 20 -7.410 -0.361 7.104 141 HZ3 LYS 20 2HZ LYS 20 -7.712 -0.023 8.669 142 H SER 21 H SER 21 -6.246 -1.386 3.076 143 HA SER 21 HA SER 21 -8.596 -0.771 1.388 144 HB2 SER 21 1HB SER 21 -9.483 -0.563 3.660 145 HB3 SER 21 2HB SER 21 -8.129 0.483 4.124 146 HG SER 21 HG SER 21 -10.125 1.590 3.534 147 H LYS 22 H LYS 22 -8.474 1.273 0.372 148 HA LYS 22 HA LYS 22 -5.867 2.196 -0.386 149 HB2 LYS 22 1HB LYS 22 -8.224 2.392 -1.582 150 HB3 LYS 22 2HB LYS 22 -8.362 3.890 -0.659 151 HG2 LYS 22 1HG LYS 22 -6.277 4.729 -1.686 152 HG3 LYS 22 2HG LYS 22 -6.026 3.182 -2.496 153 HD2 LYS 22 1HD LYS 22 -6.880 4.809 -4.075 154 HD3 LYS 22 2HD LYS 22 -8.063 3.515 -3.842 155 HE2 LYS 22 1HE LYS 22 -9.365 4.958 -2.310 156 HE3 LYS 22 2HE LYS 22 -8.153 6.241 -2.464 157 HZ1 LYS 22 3HZ LYS 22 -8.701 6.377 -4.837 158 HZ2 LYS 22 1HZ LYS 22 -10.043 6.621 -3.943 159 HZ3 LYS 22 2HZ LYS 22 -9.816 5.192 -4.695 160 H GLY 23 H GLY 23 -8.147 3.342 2.081 161 HA2 GLY 23 1HA GLY 23 -6.747 5.755 2.825 162 HA3 GLY 23 2HA GLY 23 -7.895 4.849 3.819 163 H THR 24 H THR 24 -6.495 2.354 3.935 164 HA THR 24 HA THR 24 -4.516 2.853 5.983 165 HB THR 24 HB THR 24 -4.987 0.245 4.493 166 HG1 THR 24 1HG THR 24 -6.462 1.605 6.440 167 HG21 THR 24 3HG2 THR 24 -4.300 -0.780 6.592 168 HG22 THR 24 1HG2 THR 24 -4.116 0.819 7.356 169 HG23 THR 24 2HG2 THR 24 -3.032 0.331 6.040 170 H LEU 25 H LEU 25 -4.257 1.782 2.536 171 HA LEU 25 HA LEU 25 -1.403 1.707 2.452 172 HB2 LEU 25 1HB LEU 25 -2.725 0.648 0.754 173 HB3 LEU 25 2HB LEU 25 -3.580 2.141 0.396 174 HG LEU 25 HG LEU 25 -1.442 3.127 -0.498 175 HD11 LEU 25 1HD1 LEU 25 0.197 1.732 0.746 176 HD12 LEU 25 2HD1 LEU 25 0.438 1.605 -0.998 177 HD13 LEU 25 3HD1 LEU 25 -0.377 0.296 -0.129 178 HD21 LEU 25 3HD2 LEU 25 -1.470 1.960 -2.577 179 HD22 LEU 25 1HD2 LEU 25 -3.126 1.992 -1.937 180 HD23 LEU 25 2HD2 LEU 25 -2.145 0.507 -1.828 181 H LYS 26 H LYS 26 -3.685 4.485 1.806 182 HA LYS 26 HA LYS 26 -1.707 6.385 1.090 183 HB2 LYS 26 1HB LYS 26 -4.043 6.679 0.612 184 HB3 LYS 26 2HB LYS 26 -4.490 6.502 2.311 185 HG2 LYS 26 1HG LYS 26 -3.382 8.585 2.891 186 HG3 LYS 26 2HG LYS 26 -2.826 8.799 1.216 187 HD2 LYS 26 1HD LYS 26 -5.091 9.078 0.413 188 HD3 LYS 26 2HD LYS 26 -5.779 8.523 1.966 189 HE2 LYS 26 1HE LYS 26 -4.752 10.383 3.135 190 HE3 LYS 26 2HE LYS 26 -4.006 10.962 1.638 191 HZ1 LYS 26 3HZ LYS 26 -6.941 10.820 2.132 192 HZ2 LYS 26 1HZ LYS 26 -6.253 11.350 0.748 193 HZ3 LYS 26 2HZ LYS 26 -6.060 12.193 2.129 194 H SER 27 H SER 27 -3.080 5.581 4.301 195 HA SER 27 HA SER 27 -1.553 7.430 5.838 196 HB2 SER 27 1HB SER 27 -2.582 4.679 6.643 197 HB3 SER 27 2HB SER 27 -2.017 5.943 7.746 198 HG SER 27 HG SER 27 -4.289 5.984 6.033 199 H HIS 28 H HIS 28 -0.590 4.359 4.425 200 HA HIS 28 HA HIS 28 2.003 4.292 5.835 201 HB2 HIS 28 1HB HIS 28 0.944 2.187 5.379 202 HB3 HIS 28 2HB HIS 28 0.747 2.570 3.672 203 HD1 HIS 28 1HD HIS 28 3.592 1.757 6.158 204 HD2 HIS 28 2HD HIS 28 2.741 2.061 2.051 205 HE1 HIS 28 1HE HIS 28 5.645 0.869 4.958 206 H LYS 29 H LYS 29 0.838 5.046 2.504 207 HA LYS 29 HA LYS 29 3.418 5.579 1.395 208 HB2 LYS 29 1HB LYS 29 0.595 6.341 0.597 209 HB3 LYS 29 2HB LYS 29 2.000 6.980 -0.269 210 HG2 LYS 29 1HG LYS 29 2.840 4.660 -0.607 211 HG3 LYS 29 2HG LYS 29 1.345 4.025 0.097 212 HD2 LYS 29 1HD LYS 29 0.014 4.923 -1.711 213 HD3 LYS 29 2HD LYS 29 1.359 5.942 -2.271 214 HE2 LYS 29 1HE LYS 29 2.694 3.865 -2.713 215 HE3 LYS 29 2HE LYS 29 1.263 2.898 -2.359 216 HZ1 LYS 29 3HZ LYS 29 1.725 3.454 -4.759 217 HZ2 LYS 29 1HZ LYS 29 1.320 4.993 -4.462 218 HZ3 LYS 29 2HZ LYS 29 0.187 3.821 -4.278 219 H LEU 30 H LEU 30 1.320 7.754 3.239 220 HA LEU 30 HA LEU 30 2.796 10.161 2.838 221 HB2 LEU 30 1HB LEU 30 1.269 9.034 5.222 222 HB3 LEU 30 2HB LEU 30 1.948 10.657 5.230 223 HG LEU 30 HG LEU 30 -0.070 9.725 3.144 224 HD11 LEU 30 1HD1 LEU 30 -1.721 10.984 4.454 225 HD12 LEU 30 2HD1 LEU 30 -0.489 11.336 5.692 226 HD13 LEU 30 3HD1 LEU 30 -1.026 9.666 5.414 227 HD21 LEU 30 3HD2 LEU 30 1.268 11.640 2.402 228 HD22 LEU 30 1HD2 LEU 30 0.947 12.485 3.933 229 HD23 LEU 30 2HD2 LEU 30 -0.376 12.157 2.788 230 H LEU 31 H LEU 31 3.707 7.327 4.701 231 HA LEU 31 HA LEU 31 5.857 8.634 6.181 232 HB2 LEU 31 1HB LEU 31 5.527 5.671 5.606 233 HB3 LEU 31 2HB LEU 31 6.489 6.408 6.870 234 HG LEU 31 HG LEU 31 3.440 6.475 6.724 235 HD11 LEU 31 1HD1 LEU 31 5.316 4.918 8.548 236 HD12 LEU 31 2HD1 LEU 31 4.361 4.242 7.209 237 HD13 LEU 31 3HD1 LEU 31 3.538 4.929 8.619 238 HD21 LEU 31 3HD2 LEU 31 3.570 7.332 9.045 239 HD22 LEU 31 1HD2 LEU 31 4.295 8.463 7.896 240 HD23 LEU 31 2HD2 LEU 31 5.341 7.437 8.907 241 H HIS 32 H HIS 32 5.625 7.075 3.017 242 HA HIS 32 HA HIS 32 8.536 7.202 2.509 243 HB2 HIS 32 1HB HIS 32 6.163 6.651 0.678 244 HB3 HIS 32 2HB HIS 32 7.842 6.643 0.175 245 HD1 HIS 32 1HD HIS 32 9.420 4.672 1.443 246 HD2 HIS 32 2HD HIS 32 5.232 4.355 1.511 247 HE1 HIS 32 1HE HIS 32 8.921 2.226 1.912 248 H THR 33 H THR 33 5.590 8.868 1.359 249 HA THR 33 HA THR 33 7.110 10.973 0.023 250 HB THR 33 HB THR 33 4.094 10.775 0.232 251 HG1 THR 33 1HG THR 33 4.202 9.494 -1.613 252 HG21 THR 33 3HG2 THR 33 5.032 12.803 -0.900 253 HG22 THR 33 1HG2 THR 33 4.195 11.745 -2.042 254 HG23 THR 33 2HG2 THR 33 5.974 11.748 -1.973 255 H ALA 34 H ALA 34 7.742 11.144 2.631 256 HA ALA 34 HA ALA 34 6.030 12.756 4.253 257 HB1 ALA 34 1HB ALA 34 9.028 12.233 4.433 258 HB2 ALA 34 2HB ALA 34 7.995 12.853 5.739 259 HB3 ALA 34 3HB ALA 34 7.743 11.210 5.119 260 H ASP 35 H ASP 35 8.039 13.696 1.633 261 HA ASP 35 HA ASP 35 8.444 16.481 2.436 262 HB2 ASP 35 1HB ASP 35 9.513 16.691 0.287 263 HB3 ASP 35 2HB ASP 35 10.105 15.256 1.105 264 H GLY 36 H GLY 36 5.796 14.746 1.148 265 HA2 GLY 36 1HA GLY 36 3.695 15.398 0.483 266 HA3 GLY 36 2HA GLY 36 4.097 17.036 0.986
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