NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504549 | 2ema | 10199 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -23.476 -19.406 -11.072 2 HA2 GLY 1 1HA GLY 1 -23.196 -18.385 -9.036 3 HA3 GLY 1 2HA GLY 1 -24.261 -19.619 -8.379 4 H SER 2 H SER 2 -21.273 -18.310 -8.104 5 HA SER 2 HA SER 2 -20.023 -20.831 -7.247 6 HB2 SER 2 1HB SER 2 -18.945 -18.255 -8.299 7 HB3 SER 2 2HB SER 2 -17.954 -19.161 -7.156 8 HG SER 2 HG SER 2 -19.112 -20.515 -9.318 9 H SER 3 H SER 3 -21.243 -20.843 -5.272 10 HA SER 3 HA SER 3 -21.795 -20.162 -3.130 11 HB2 SER 3 1HB SER 3 -18.779 -20.242 -3.225 12 HB3 SER 3 2HB SER 3 -19.674 -20.046 -1.718 13 HG SER 3 HG SER 3 -19.409 -22.271 -3.358 14 H GLY 4 H GLY 4 -22.043 -17.961 -4.808 15 HA2 GLY 4 1HA GLY 4 -21.162 -15.806 -2.998 16 HA3 GLY 4 2HA GLY 4 -20.986 -15.638 -4.739 17 H SER 5 H SER 5 -23.698 -17.065 -2.976 18 HA SER 5 HA SER 5 -25.674 -15.833 -4.490 19 HB2 SER 5 1HB SER 5 -25.738 -16.940 -1.680 20 HB3 SER 5 2HB SER 5 -27.182 -16.363 -2.512 21 HG SER 5 HG SER 5 -25.847 -18.707 -2.799 22 H SER 6 H SER 6 -24.536 -14.920 -1.237 23 HA SER 6 HA SER 6 -25.432 -12.172 -1.801 24 HB2 SER 6 1HB SER 6 -26.311 -11.915 0.377 25 HB3 SER 6 2HB SER 6 -26.887 -13.496 -0.149 26 HG SER 6 HG SER 6 -24.705 -14.115 0.953 27 H GLY 7 H GLY 7 -24.239 -10.494 -0.754 28 HA2 GLY 7 1HA GLY 7 -22.141 -10.652 0.973 29 HA3 GLY 7 2HA GLY 7 -21.429 -11.100 -0.570 30 H THR 8 H THR 8 -22.866 -9.406 -2.265 31 HA THR 8 HA THR 8 -21.397 -7.183 -2.502 32 HB THR 8 HB THR 8 -24.393 -7.117 -2.896 33 HG1 THR 8 HG1 THR 8 -22.348 -8.431 -4.273 34 HG21 THR 8 3HG2 THR 8 -23.195 -4.953 -3.104 35 HG22 THR 8 1HG2 THR 8 -23.919 -5.488 -4.620 36 HG23 THR 8 2HG2 THR 8 -22.184 -5.668 -4.359 37 H GLY 9 H GLY 9 -20.722 -5.986 -0.805 38 HA2 GLY 9 1HA GLY 9 -22.274 -3.943 0.246 39 HA3 GLY 9 2HA GLY 9 -22.369 -5.268 1.397 40 H GLU 10 H GLU 10 -19.981 -6.303 1.630 41 HA GLU 10 HA GLU 10 -18.284 -4.034 2.423 42 HB2 GLU 10 1HB GLU 10 -19.109 -5.533 4.240 43 HB3 GLU 10 2HB GLU 10 -18.235 -6.861 3.489 44 HG2 GLU 10 1HG GLU 10 -16.139 -5.525 3.768 45 HG3 GLU 10 2HG GLU 10 -17.079 -4.374 4.716 46 H LYS 11 H LYS 11 -17.434 -3.919 0.247 47 HA LYS 11 HA LYS 11 -16.163 -5.976 -1.119 48 HB2 LYS 11 1HB LYS 11 -15.789 -2.999 -1.085 49 HB3 LYS 11 2HB LYS 11 -14.718 -4.014 -2.044 50 HG2 LYS 11 1HG LYS 11 -16.420 -4.687 -3.467 51 HG3 LYS 11 2HG LYS 11 -17.687 -4.253 -2.317 52 HD2 LYS 11 1HD LYS 11 -15.876 -2.181 -3.521 53 HD3 LYS 11 2HD LYS 11 -17.335 -2.727 -4.350 54 HE2 LYS 11 1HE LYS 11 -18.516 -2.202 -2.110 55 HE3 LYS 11 2HE LYS 11 -17.073 -1.254 -1.754 56 HZ1 LYS 11 3HZ LYS 11 -17.472 0.135 -3.601 57 HZ2 LYS 11 1HZ LYS 11 -18.959 -0.011 -2.806 58 HZ3 LYS 11 2HZ LYS 11 -18.668 -0.886 -4.224 59 H ARG 12 H ARG 12 -14.645 -7.279 -0.329 60 HA ARG 12 HA ARG 12 -12.827 -6.454 1.729 61 HB2 ARG 12 1HB ARG 12 -11.823 -8.761 1.280 62 HB3 ARG 12 2HB ARG 12 -13.486 -8.709 1.850 63 HG2 ARG 12 1HG ARG 12 -14.341 -9.431 -0.140 64 HG3 ARG 12 2HG ARG 12 -13.002 -8.769 -1.080 65 HD2 ARG 12 1HD ARG 12 -11.564 -10.541 -0.453 66 HD3 ARG 12 2HD ARG 12 -12.675 -11.092 0.800 67 HE ARG 12 HE ARG 12 -13.909 -12.192 -0.803 68 HH11 ARG 12 1HH1 ARG 12 -11.558 -10.123 -2.323 69 HH12 ARG 12 2HH1 ARG 12 -11.802 -10.789 -3.904 70 HH21 ARG 12 1HH2 ARG 12 -14.239 -13.077 -2.880 71 HH22 ARG 12 2HH2 ARG 12 -13.327 -12.468 -4.220 72 H TYR 13 H TYR 13 -11.802 -4.673 0.628 73 HA TYR 13 HA TYR 13 -10.352 -4.927 -1.763 74 HB2 TYR 13 1HB TYR 13 -9.631 -3.057 0.490 75 HB3 TYR 13 2HB TYR 13 -9.373 -2.823 -1.235 76 HD1 TYR 13 HD2 TYR 13 -11.368 -2.436 -2.721 77 HD2 TYR 13 HD1 TYR 13 -11.648 -2.386 1.524 78 HE1 TYR 13 HE2 TYR 13 -13.506 -1.232 -2.882 79 HE2 TYR 13 HE1 TYR 13 -13.788 -1.183 1.375 80 HH TYR 13 HH TYR 13 -15.061 -0.077 -1.725 81 H LYS 14 H LYS 14 -8.699 -6.233 -2.138 82 HA LYS 14 HA LYS 14 -6.993 -7.108 0.058 83 HB2 LYS 14 1HB LYS 14 -7.836 -8.823 -1.448 84 HB3 LYS 14 2HB LYS 14 -7.145 -7.985 -2.831 85 HG2 LYS 14 1HG LYS 14 -4.910 -8.295 -1.469 86 HG3 LYS 14 2HG LYS 14 -5.815 -9.627 -0.745 87 HD2 LYS 14 1HD LYS 14 -5.916 -10.805 -2.710 88 HD3 LYS 14 2HD LYS 14 -5.821 -9.354 -3.710 89 HE2 LYS 14 1HE LYS 14 -3.524 -10.407 -2.071 90 HE3 LYS 14 2HE LYS 14 -3.789 -10.829 -3.762 91 HZ1 LYS 14 3HZ LYS 14 -3.916 -8.040 -3.502 92 HZ2 LYS 14 1HZ LYS 14 -2.785 -8.966 -4.355 93 HZ3 LYS 14 2HZ LYS 14 -2.507 -8.574 -2.733 94 H CYS 15 H CYS 15 -4.876 -6.596 0.286 95 HA CYS 15 HA CYS 15 -3.894 -4.311 -1.146 96 HB2 CYS 15 1HB CYS 15 -3.503 -4.878 1.326 97 HB3 CYS 15 2HB CYS 15 -2.290 -6.017 0.750 98 H ASN 16 H ASN 16 -3.064 -4.478 -3.117 99 HA ASN 16 HA ASN 16 -2.134 -6.884 -4.261 100 HB2 ASN 16 1HB ASN 16 -2.014 -3.995 -5.067 101 HB3 ASN 16 2HB ASN 16 -1.128 -5.205 -5.991 102 HD21 ASN 16 1HD2 ASN 16 -3.092 -3.728 -7.167 103 HD22 ASN 16 2HD2 ASN 16 -4.451 -4.735 -7.522 104 H GLU 17 H GLU 17 -0.645 -4.641 -2.179 105 HA GLU 17 HA GLU 17 2.060 -5.071 -3.028 106 HB2 GLU 17 1HB GLU 17 0.787 -3.776 -0.635 107 HB3 GLU 17 2HB GLU 17 2.523 -4.050 -0.691 108 HG2 GLU 17 1HG GLU 17 2.091 -1.820 -1.404 109 HG3 GLU 17 2HG GLU 17 2.604 -2.757 -2.806 110 H CYS 18 H CYS 18 0.533 -5.844 0.099 111 HA CYS 18 HA CYS 18 2.396 -8.058 0.434 112 HB2 CYS 18 1HB CYS 18 1.290 -8.195 2.724 113 HB3 CYS 18 2HB CYS 18 2.194 -6.724 2.380 114 H GLY 19 H GLY 19 -1.119 -7.507 0.438 115 HA2 GLY 19 1HA GLY 19 -2.437 -9.135 -0.885 116 HA3 GLY 19 2HA GLY 19 -1.452 -10.387 -0.143 117 H LYS 20 H LYS 20 -2.353 -7.769 1.878 118 HA LYS 20 HA LYS 20 -3.973 -9.542 3.492 119 HB2 LYS 20 1HB LYS 20 -2.724 -6.865 3.841 120 HB3 LYS 20 2HB LYS 20 -4.144 -7.224 4.815 121 HG2 LYS 20 1HG LYS 20 -3.067 -9.127 5.794 122 HG3 LYS 20 2HG LYS 20 -1.687 -8.959 4.706 123 HD2 LYS 20 1HD LYS 20 -0.835 -7.920 6.551 124 HD3 LYS 20 2HD LYS 20 -1.611 -6.536 5.777 125 HE2 LYS 20 1HE LYS 20 -3.294 -6.445 7.320 126 HE3 LYS 20 2HE LYS 20 -3.234 -8.175 7.648 127 HZ1 LYS 20 3HZ LYS 20 -1.374 -6.090 8.638 128 HZ2 LYS 20 1HZ LYS 20 -1.070 -7.748 8.785 129 HZ3 LYS 20 2HZ LYS 20 -2.413 -7.064 9.552 130 H VAL 21 H VAL 21 -5.891 -8.104 4.614 131 HA VAL 21 HA VAL 21 -7.483 -6.873 2.482 132 HB VAL 21 HB VAL 21 -9.490 -8.169 3.499 133 HG11 VAL 21 1HG1 VAL 21 -9.018 -8.547 1.252 134 HG12 VAL 21 2HG1 VAL 21 -7.439 -9.253 1.602 135 HG13 VAL 21 3HG1 VAL 21 -8.910 -10.156 1.965 136 HG21 VAL 21 3HG2 VAL 21 -8.680 -10.538 4.118 137 HG22 VAL 21 1HG2 VAL 21 -7.138 -9.757 4.462 138 HG23 VAL 21 2HG2 VAL 21 -8.588 -9.273 5.342 139 H PHE 22 H PHE 22 -9.179 -5.514 3.225 140 HA PHE 22 HA PHE 22 -9.159 -4.894 6.093 141 HB2 PHE 22 1HB PHE 22 -9.018 -2.798 3.917 142 HB3 PHE 22 2HB PHE 22 -9.042 -2.508 5.654 143 HD1 PHE 22 HD2 PHE 22 -7.059 -4.318 3.069 144 HD2 PHE 22 HD1 PHE 22 -7.047 -2.182 6.750 145 HE1 PHE 22 HE2 PHE 22 -4.601 -4.412 3.112 146 HE2 PHE 22 HE1 PHE 22 -4.589 -2.272 6.799 147 HZ PHE 22 HZ PHE 22 -3.362 -3.389 4.979 148 H SER 23 H SER 23 -11.070 -3.975 6.898 149 HA SER 23 HA SER 23 -13.448 -4.873 5.712 150 HB2 SER 23 1HB SER 23 -13.078 -2.756 7.845 151 HB3 SER 23 2HB SER 23 -14.595 -3.571 7.465 152 HG SER 23 HG SER 23 -13.786 -4.743 9.099 153 H ARG 24 H ARG 24 -11.874 -1.718 5.697 154 HA ARG 24 HA ARG 24 -13.765 -0.871 3.606 155 HB2 ARG 24 1HB ARG 24 -12.605 0.892 5.771 156 HB3 ARG 24 2HB ARG 24 -13.674 1.414 4.476 157 HG2 ARG 24 1HG ARG 24 -14.466 -0.658 6.502 158 HG3 ARG 24 2HG ARG 24 -14.735 1.071 6.735 159 HD2 ARG 24 1HD ARG 24 -15.655 -0.187 4.199 160 HD3 ARG 24 2HD ARG 24 -16.582 -0.483 5.669 161 HE ARG 24 HE ARG 24 -16.352 2.011 4.220 162 HH11 ARG 24 1HH1 ARG 24 -17.256 0.436 7.190 163 HH12 ARG 24 2HH1 ARG 24 -18.299 1.720 7.706 164 HH21 ARG 24 1HH2 ARG 24 -17.722 3.709 4.888 165 HH22 ARG 24 2HH2 ARG 24 -18.564 3.581 6.395 166 H ASN 25 H ASN 25 -12.923 0.595 2.037 167 HA ASN 25 HA ASN 25 -10.263 0.008 1.252 168 HB2 ASN 25 1HB ASN 25 -10.679 1.661 -0.559 169 HB3 ASN 25 2HB ASN 25 -11.959 0.459 -0.420 170 HD21 ASN 25 1HD2 ASN 25 -11.184 3.750 -0.426 171 HD22 ASN 25 2HD2 ASN 25 -12.748 4.369 -0.032 172 H SER 26 H SER 26 -11.764 2.708 2.911 173 HA SER 26 HA SER 26 -9.692 4.578 2.686 174 HB2 SER 26 1HB SER 26 -12.050 4.960 3.574 175 HB3 SER 26 2HB SER 26 -11.479 4.294 5.104 176 HG SER 26 HG SER 26 -9.956 6.314 3.938 177 H GLN 27 H GLN 27 -9.910 1.679 4.502 178 HA GLN 27 HA GLN 27 -7.750 2.458 6.307 179 HB2 GLN 27 1HB GLN 27 -9.487 -0.006 6.159 180 HB3 GLN 27 2HB GLN 27 -8.146 0.164 7.284 181 HG2 GLN 27 1HG GLN 27 -10.313 2.218 7.202 182 HG3 GLN 27 2HG GLN 27 -10.550 0.700 8.066 183 HE21 GLN 27 1HE2 GLN 27 -10.627 1.617 10.081 184 HE22 GLN 27 2HE2 GLN 27 -9.254 2.331 10.847 185 H LEU 28 H LEU 28 -8.217 0.896 3.331 186 HA LEU 28 HA LEU 28 -5.790 -0.703 3.530 187 HB2 LEU 28 1HB LEU 28 -7.388 -1.892 2.376 188 HB3 LEU 28 2HB LEU 28 -8.020 -0.459 1.568 189 HG LEU 28 HG LEU 28 -5.802 -0.466 0.265 190 HD11 LEU 28 1HD1 LEU 28 -5.127 -3.005 0.031 191 HD12 LEU 28 2HD1 LEU 28 -5.688 -3.065 1.701 192 HD13 LEU 28 3HD1 LEU 28 -4.389 -1.963 1.247 193 HD21 LEU 28 3HD2 LEU 28 -7.330 -2.871 -0.499 194 HD22 LEU 28 1HD2 LEU 28 -6.911 -1.440 -1.442 195 HD23 LEU 28 2HD2 LEU 28 -8.263 -1.386 -0.311 196 H SER 29 H SER 29 -7.070 1.925 1.498 197 HA SER 29 HA SER 29 -4.875 2.389 -0.097 198 HB2 SER 29 1HB SER 29 -7.022 3.539 -0.402 199 HB3 SER 29 2HB SER 29 -6.749 4.460 1.076 200 HG SER 29 HG SER 29 -5.961 5.060 -1.367 201 H GLN 30 H GLN 30 -5.496 3.585 3.174 202 HA GLN 30 HA GLN 30 -3.186 5.223 3.329 203 HB2 GLN 30 1HB GLN 30 -3.661 5.392 5.681 204 HB3 GLN 30 2HB GLN 30 -5.183 5.451 4.801 205 HG2 GLN 30 1HG GLN 30 -5.765 4.008 6.447 206 HG3 GLN 30 2HG GLN 30 -5.144 2.854 5.267 207 HE21 GLN 30 1HE2 GLN 30 -4.213 4.767 8.085 208 HE22 GLN 30 2HE2 GLN 30 -3.045 3.644 8.684 209 H HIS 31 H HIS 31 -3.649 1.850 3.503 210 HA HIS 31 HA HIS 31 -1.184 1.390 4.993 211 HB2 HIS 31 1HB HIS 31 -2.831 -0.128 5.666 212 HB3 HIS 31 2HB HIS 31 -3.408 -0.379 4.021 213 HD1 HIS 31 HD1 HIS 31 -0.435 -1.237 6.208 214 HD2 HIS 31 HD2 HIS 31 -2.343 -2.550 2.760 215 HE1 HIS 31 HE1 HIS 31 0.697 -3.397 5.595 216 H GLN 32 H GLN 32 -2.510 1.025 1.753 217 HA GLN 32 HA GLN 32 -0.444 -0.453 0.593 218 HB2 GLN 32 1HB GLN 32 -2.417 1.527 -0.514 219 HB3 GLN 32 2HB GLN 32 -1.200 0.789 -1.547 220 HG2 GLN 32 1HG GLN 32 -2.072 -1.447 -0.742 221 HG3 GLN 32 2HG GLN 32 -3.428 -0.555 -0.054 222 HE21 GLN 32 1HE2 GLN 32 -4.670 -1.928 -1.517 223 HE22 GLN 32 2HE2 GLN 32 -4.879 -1.423 -3.156 224 H LYS 33 H LYS 33 -0.387 2.675 1.852 225 HA LYS 33 HA LYS 33 1.765 3.609 0.127 226 HB2 LYS 33 1HB LYS 33 1.656 5.635 1.664 227 HB3 LYS 33 2HB LYS 33 0.232 5.318 0.681 228 HG2 LYS 33 1HG LYS 33 -1.057 4.765 2.473 229 HG3 LYS 33 2HG LYS 33 0.311 4.165 3.413 230 HD2 LYS 33 1HD LYS 33 -0.585 6.230 4.367 231 HD3 LYS 33 2HD LYS 33 1.067 6.458 3.787 232 HE2 LYS 33 1HE LYS 33 0.105 8.323 2.899 233 HE3 LYS 33 2HE LYS 33 -0.203 7.192 1.582 234 HZ1 LYS 33 3HZ LYS 33 -2.200 8.384 2.060 235 HZ2 LYS 33 1HZ LYS 33 -2.108 8.006 3.707 236 HZ3 LYS 33 2HZ LYS 33 -2.414 6.787 2.575 237 H ILE 34 H ILE 34 1.380 1.891 3.027 238 HA ILE 34 HA ILE 34 3.702 2.736 4.417 239 HB ILE 34 HB ILE 34 3.370 0.922 5.872 240 HG12 ILE 34 1HG1 ILE 34 1.587 -0.878 5.024 241 HG13 ILE 34 2HG1 ILE 34 2.229 -0.396 3.458 242 HG21 ILE 34 1HG2 ILE 34 0.621 0.802 5.626 243 HG22 ILE 34 2HG2 ILE 34 1.538 2.001 6.536 244 HG23 ILE 34 3HG2 ILE 34 1.044 2.342 4.878 245 HD11 ILE 34 3HD1 ILE 34 4.339 -0.902 5.364 246 HD12 ILE 34 1HD1 ILE 34 3.276 -2.295 5.170 247 HD13 ILE 34 2HD1 ILE 34 4.071 -1.589 3.762 248 H HIS 35 H HIS 35 3.171 0.582 1.764 249 HA HIS 35 HA HIS 35 5.612 -0.887 2.030 250 HB2 HIS 35 1HB HIS 35 3.847 -0.525 -0.401 251 HB3 HIS 35 2HB HIS 35 5.102 -1.745 -0.205 252 HD1 HIS 35 HD1 HIS 35 4.625 -3.541 1.759 253 HD2 HIS 35 HD2 HIS 35 1.384 -1.272 0.491 254 HE1 HIS 35 HE1 HIS 35 2.586 -4.766 2.576 255 H THR 36 H THR 36 4.690 2.133 0.609 256 HA THR 36 HA THR 36 6.478 2.623 -1.364 257 HB THR 36 HB THR 36 6.522 4.986 -0.685 258 HG1 THR 36 HG1 THR 36 5.497 3.904 1.724 259 HG21 THR 36 3HG2 THR 36 3.912 5.151 -0.305 260 HG22 THR 36 1HG2 THR 36 3.980 3.432 -0.691 261 HG23 THR 36 2HG2 THR 36 4.579 4.621 -1.849 262 H GLY 37 H GLY 37 7.164 2.728 2.115 263 HA2 GLY 37 1HA GLY 37 9.147 2.672 3.269 264 HA3 GLY 37 2HA GLY 37 9.821 1.883 1.851 265 H GLU 38 H GLU 38 9.632 4.777 3.675 266 HA GLU 38 HA GLU 38 11.247 6.186 1.655 267 HB2 GLU 38 1HB GLU 38 10.569 8.252 3.016 268 HB3 GLU 38 2HB GLU 38 9.340 7.503 2.008 269 HG2 GLU 38 1HG GLU 38 9.633 6.895 4.933 270 HG3 GLU 38 2HG GLU 38 8.625 8.204 4.320 271 H LYS 39 H LYS 39 12.998 4.791 2.609 272 HA LYS 39 HA LYS 39 13.936 5.518 5.244 273 HB2 LYS 39 1HB LYS 39 15.179 3.798 3.090 274 HB3 LYS 39 2HB LYS 39 15.828 3.999 4.712 275 HG2 LYS 39 1HG LYS 39 13.899 2.946 5.675 276 HG3 LYS 39 2HG LYS 39 13.101 2.879 4.102 277 HD2 LYS 39 1HD LYS 39 13.929 0.747 4.227 278 HD3 LYS 39 2HD LYS 39 15.280 1.557 3.430 279 HE2 LYS 39 1HE LYS 39 15.237 1.488 6.402 280 HE3 LYS 39 2HE LYS 39 15.628 -0.002 5.544 281 HZ1 LYS 39 3HZ LYS 39 17.003 2.512 4.856 282 HZ2 LYS 39 1HZ LYS 39 17.524 0.917 4.638 283 HZ3 LYS 39 2HZ LYS 39 17.515 1.600 6.185 284 HA PRO 40 HA PRO 40 16.539 8.867 4.092 285 HB2 PRO 40 1HB PRO 40 18.438 8.675 6.022 286 HB3 PRO 40 2HB PRO 40 16.800 9.257 6.341 287 HG2 PRO 40 1HG PRO 40 17.969 6.542 6.810 288 HG3 PRO 40 2HG PRO 40 16.907 7.499 7.859 289 HD2 PRO 40 1HD PRO 40 15.990 5.470 6.317 290 HD3 PRO 40 2HD PRO 40 15.010 6.902 6.693 291 H SER 41 H SER 41 18.996 9.345 3.850 292 HA SER 41 HA SER 41 20.041 7.362 2.028 293 HB2 SER 41 1HB SER 41 20.089 9.979 1.818 294 HB3 SER 41 2HB SER 41 21.548 9.837 2.799 295 HG SER 41 HG SER 41 22.538 9.299 1.039 296 H GLY 42 H GLY 42 21.854 6.126 2.278 297 HA2 GLY 42 1HA GLY 42 23.027 6.117 4.988 298 HA3 GLY 42 2HA GLY 42 22.867 4.694 3.970 299 HA PRO 43 HA PRO 43 26.930 5.239 2.433 300 HB2 PRO 43 1HB PRO 43 26.683 4.494 -0.166 301 HB3 PRO 43 2HB PRO 43 26.610 3.344 1.174 302 HG2 PRO 43 1HG PRO 43 24.373 4.592 -0.375 303 HG3 PRO 43 2HG PRO 43 24.564 2.911 0.157 304 HD2 PRO 43 1HD PRO 43 22.987 4.681 1.464 305 HD3 PRO 43 2HD PRO 43 23.851 3.374 2.299 306 H SER 44 H SER 44 24.337 7.026 1.047 307 HA SER 44 HA SER 44 26.236 8.818 -0.316 308 HB2 SER 44 1HB SER 44 24.555 7.911 -1.827 309 HB3 SER 44 2HB SER 44 23.262 8.447 -0.754 310 HG SER 44 HG SER 44 25.074 10.372 -1.626 311 H SER 45 H SER 45 26.096 11.051 0.004 312 HA SER 45 HA SER 45 25.080 11.802 2.615 313 HB2 SER 45 1HB SER 45 26.860 13.130 0.586 314 HB3 SER 45 2HB SER 45 26.183 14.050 1.930 315 HG SER 45 HG SER 45 27.099 12.027 3.130 316 H GLY 46 H GLY 46 22.832 11.774 2.277 317 HA2 GLY 46 1HA GLY 46 21.835 13.919 0.505 318 HA3 GLY 46 2HA GLY 46 20.943 12.443 0.845 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -34.134 1.820 -0.387 2 HA2 GLY 1 1HA GLY 1 -36.115 0.065 0.439 3 HA3 GLY 1 2HA GLY 1 -35.699 0.374 -1.240 4 H SER 2 H SER 2 -36.620 -2.097 -0.431 5 HA SER 2 HA SER 2 -34.519 -3.916 0.167 6 HB2 SER 2 1HB SER 2 -37.240 -4.419 -1.064 7 HB3 SER 2 2HB SER 2 -36.161 -5.666 -0.438 8 HG SER 2 HG SER 2 -37.960 -4.476 0.924 9 H SER 3 H SER 3 -32.832 -3.655 -1.265 10 HA SER 3 HA SER 3 -33.404 -4.336 -4.076 11 HB2 SER 3 1HB SER 3 -32.522 -2.117 -4.013 12 HB3 SER 3 2HB SER 3 -31.251 -2.583 -2.883 13 HG SER 3 HG SER 3 -31.502 -3.262 -5.618 14 H GLY 4 H GLY 4 -32.506 -6.125 -4.892 15 HA2 GLY 4 1HA GLY 4 -31.283 -8.054 -3.302 16 HA3 GLY 4 2HA GLY 4 -31.240 -8.031 -5.059 17 H SER 5 H SER 5 -29.381 -7.974 -2.319 18 HA SER 5 HA SER 5 -27.067 -6.989 -3.840 19 HB2 SER 5 1HB SER 5 -26.209 -5.789 -1.952 20 HB3 SER 5 2HB SER 5 -27.885 -5.282 -2.163 21 HG SER 5 HG SER 5 -26.992 -7.264 -0.336 22 H SER 6 H SER 6 -24.977 -7.590 -2.548 23 HA SER 6 HA SER 6 -23.572 -9.284 -1.965 24 HB2 SER 6 1HB SER 6 -25.942 -9.902 -0.195 25 HB3 SER 6 2HB SER 6 -24.409 -10.766 -0.083 26 HG SER 6 HG SER 6 -25.075 -8.352 0.908 27 H GLY 7 H GLY 7 -24.861 -9.727 -4.357 28 HA2 GLY 7 1HA GLY 7 -26.131 -12.268 -4.504 29 HA3 GLY 7 2HA GLY 7 -25.460 -11.366 -5.855 30 H THR 8 H THR 8 -22.911 -11.300 -5.697 31 HA THR 8 HA THR 8 -22.080 -14.108 -5.479 32 HB THR 8 HB THR 8 -20.770 -11.832 -6.981 33 HG1 THR 8 HG1 THR 8 -22.468 -13.968 -7.762 34 HG21 THR 8 3HG2 THR 8 -18.961 -13.166 -6.788 35 HG22 THR 8 1HG2 THR 8 -19.762 -14.124 -8.033 36 HG23 THR 8 2HG2 THR 8 -19.920 -14.574 -6.335 37 H GLY 9 H GLY 9 -21.567 -14.235 -3.298 38 HA2 GLY 9 1HA GLY 9 -20.299 -13.979 -1.400 39 HA3 GLY 9 2HA GLY 9 -18.980 -13.651 -2.514 40 H GLU 10 H GLU 10 -18.015 -12.105 -1.212 41 HA GLU 10 HA GLU 10 -19.489 -9.563 -1.036 42 HB2 GLU 10 1HB GLU 10 -17.880 -10.972 1.061 43 HB3 GLU 10 2HB GLU 10 -17.955 -9.216 1.060 44 HG2 GLU 10 1HG GLU 10 -19.669 -9.759 2.483 45 HG3 GLU 10 2HG GLU 10 -20.521 -9.582 0.949 46 H LYS 11 H LYS 11 -17.952 -7.679 -0.693 47 HA LYS 11 HA LYS 11 -15.703 -7.997 -2.549 48 HB2 LYS 11 1HB LYS 11 -15.787 -5.457 -2.583 49 HB3 LYS 11 2HB LYS 11 -17.164 -6.292 -3.289 50 HG2 LYS 11 1HG LYS 11 -18.443 -5.920 -1.241 51 HG3 LYS 11 2HG LYS 11 -17.061 -5.081 -0.533 52 HD2 LYS 11 1HD LYS 11 -17.200 -3.335 -2.164 53 HD3 LYS 11 2HD LYS 11 -18.414 -4.224 -3.088 54 HE2 LYS 11 1HE LYS 11 -19.918 -4.074 -1.095 55 HE3 LYS 11 2HE LYS 11 -18.725 -3.014 -0.344 56 HZ1 LYS 11 3HZ LYS 11 -19.668 -2.321 -3.024 57 HZ2 LYS 11 1HZ LYS 11 -19.216 -1.313 -1.743 58 HZ3 LYS 11 2HZ LYS 11 -20.729 -2.068 -1.731 59 H ARG 12 H ARG 12 -13.794 -8.322 -1.625 60 HA ARG 12 HA ARG 12 -13.195 -6.910 0.892 61 HB2 ARG 12 1HB ARG 12 -11.455 -8.796 1.155 62 HB3 ARG 12 2HB ARG 12 -13.145 -9.175 1.460 63 HG2 ARG 12 1HG ARG 12 -13.364 -10.360 -0.540 64 HG3 ARG 12 2HG ARG 12 -11.896 -9.654 -1.220 65 HD2 ARG 12 1HD ARG 12 -10.669 -10.826 0.696 66 HD3 ARG 12 2HD ARG 12 -12.157 -11.746 0.918 67 HE ARG 12 HE ARG 12 -11.518 -11.948 -1.760 68 HH11 ARG 12 1HH1 ARG 12 -10.051 -12.792 1.283 69 HH12 ARG 12 2HH1 ARG 12 -9.190 -14.151 0.639 70 HH21 ARG 12 1HH2 ARG 12 -10.389 -13.734 -2.619 71 HH22 ARG 12 2HH2 ARG 12 -9.382 -14.685 -1.580 72 H TYR 13 H TYR 13 -11.835 -5.282 0.598 73 HA TYR 13 HA TYR 13 -10.269 -4.968 -1.754 74 HB2 TYR 13 1HB TYR 13 -9.769 -3.433 0.778 75 HB3 TYR 13 2HB TYR 13 -9.641 -2.887 -0.890 76 HD1 TYR 13 HD2 TYR 13 -12.266 -3.788 -1.953 77 HD2 TYR 13 HD1 TYR 13 -11.267 -1.912 1.733 78 HE1 TYR 13 HE2 TYR 13 -14.536 -2.848 -1.823 79 HE2 TYR 13 HE1 TYR 13 -13.534 -0.968 1.874 80 HH TYR 13 HH TYR 13 -15.407 -0.381 -0.064 81 H LYS 14 H LYS 14 -8.690 -6.428 -2.091 82 HA LYS 14 HA LYS 14 -6.942 -7.241 0.087 83 HB2 LYS 14 1HB LYS 14 -7.848 -8.832 -1.673 84 HB3 LYS 14 2HB LYS 14 -6.756 -8.057 -2.812 85 HG2 LYS 14 1HG LYS 14 -4.892 -8.646 -1.189 86 HG3 LYS 14 2HG LYS 14 -6.070 -9.690 -0.391 87 HD2 LYS 14 1HD LYS 14 -6.394 -10.947 -2.432 88 HD3 LYS 14 2HD LYS 14 -5.327 -9.850 -3.312 89 HE2 LYS 14 1HE LYS 14 -3.857 -11.538 -2.862 90 HE3 LYS 14 2HE LYS 14 -3.626 -10.553 -1.418 91 HZ1 LYS 14 3HZ LYS 14 -5.585 -12.091 -0.576 92 HZ2 LYS 14 1HZ LYS 14 -3.962 -12.552 -0.444 93 HZ3 LYS 14 2HZ LYS 14 -4.913 -13.155 -1.706 94 H CYS 15 H CYS 15 -4.850 -6.646 0.339 95 HA CYS 15 HA CYS 15 -3.953 -4.282 -0.991 96 HB2 CYS 15 1HB CYS 15 -3.473 -4.921 1.418 97 HB3 CYS 15 2HB CYS 15 -2.309 -6.083 0.790 98 H ASN 16 H ASN 16 -2.945 -4.175 -2.876 99 HA ASN 16 HA ASN 16 -1.957 -6.551 -4.167 100 HB2 ASN 16 1HB ASN 16 -2.033 -3.648 -5.003 101 HB3 ASN 16 2HB ASN 16 -1.370 -4.928 -6.015 102 HD21 ASN 16 1HD2 ASN 16 -2.895 -6.834 -6.296 103 HD22 ASN 16 2HD2 ASN 16 -4.547 -6.444 -6.619 104 H GLU 17 H GLU 17 -0.660 -4.817 -1.798 105 HA GLU 17 HA GLU 17 2.049 -4.689 -2.901 106 HB2 GLU 17 1HB GLU 17 1.109 -3.774 -0.181 107 HB3 GLU 17 2HB GLU 17 2.633 -3.386 -0.966 108 HG2 GLU 17 1HG GLU 17 -0.110 -2.476 -1.798 109 HG3 GLU 17 2HG GLU 17 1.167 -1.492 -1.085 110 H CYS 18 H CYS 18 0.345 -5.988 -0.057 111 HA CYS 18 HA CYS 18 2.502 -7.977 0.216 112 HB2 CYS 18 1HB CYS 18 1.783 -8.155 2.601 113 HB3 CYS 18 2HB CYS 18 2.412 -6.568 2.170 114 H GLY 19 H GLY 19 -1.003 -7.499 0.602 115 HA2 GLY 19 1HA GLY 19 -2.337 -9.213 -0.671 116 HA3 GLY 19 2HA GLY 19 -1.341 -10.401 0.157 117 H LYS 20 H LYS 20 -2.235 -7.608 1.945 118 HA LYS 20 HA LYS 20 -3.781 -9.229 3.766 119 HB2 LYS 20 1HB LYS 20 -2.657 -6.471 3.775 120 HB3 LYS 20 2HB LYS 20 -4.028 -6.796 4.828 121 HG2 LYS 20 1HG LYS 20 -2.672 -8.784 5.684 122 HG3 LYS 20 2HG LYS 20 -1.295 -8.026 4.880 123 HD2 LYS 20 1HD LYS 20 -1.088 -7.086 6.951 124 HD3 LYS 20 2HD LYS 20 -2.159 -5.900 6.200 125 HE2 LYS 20 1HE LYS 20 -4.093 -7.148 7.160 126 HE3 LYS 20 2HE LYS 20 -2.944 -8.172 8.021 127 HZ1 LYS 20 3HZ LYS 20 -2.709 -5.272 8.336 128 HZ2 LYS 20 1HZ LYS 20 -2.380 -6.508 9.443 129 HZ3 LYS 20 2HZ LYS 20 -3.979 -6.053 9.133 130 H VAL 21 H VAL 21 -5.737 -7.730 4.748 131 HA VAL 21 HA VAL 21 -7.387 -6.719 2.567 132 HB VAL 21 HB VAL 21 -9.335 -8.118 3.455 133 HG11 VAL 21 1HG1 VAL 21 -8.212 -8.444 1.268 134 HG12 VAL 21 2HG1 VAL 21 -7.123 -9.598 2.038 135 HG13 VAL 21 3HG1 VAL 21 -8.852 -9.936 1.955 136 HG21 VAL 21 3HG2 VAL 21 -8.462 -8.989 5.472 137 HG22 VAL 21 1HG2 VAL 21 -8.565 -10.355 4.360 138 HG23 VAL 21 2HG2 VAL 21 -7.008 -9.588 4.672 139 H PHE 22 H PHE 22 -9.262 -5.548 3.297 140 HA PHE 22 HA PHE 22 -9.363 -4.916 6.148 141 HB2 PHE 22 1HB PHE 22 -9.218 -2.737 4.061 142 HB3 PHE 22 2HB PHE 22 -9.222 -2.544 5.811 143 HD1 PHE 22 HD2 PHE 22 -7.243 -4.108 3.074 144 HD2 PHE 22 HD1 PHE 22 -7.220 -2.306 6.929 145 HE1 PHE 22 HE2 PHE 22 -4.783 -4.160 3.079 146 HE2 PHE 22 HE1 PHE 22 -4.760 -2.353 6.941 147 HZ PHE 22 HZ PHE 22 -3.538 -3.282 5.015 148 H SER 23 H SER 23 -11.268 -3.431 6.614 149 HA SER 23 HA SER 23 -13.577 -4.511 5.219 150 HB2 SER 23 1HB SER 23 -14.882 -3.506 7.046 151 HB3 SER 23 2HB SER 23 -13.567 -4.496 7.678 152 HG SER 23 HG SER 23 -13.203 -1.734 7.273 153 H ARG 24 H ARG 24 -11.970 -1.430 5.737 154 HA ARG 24 HA ARG 24 -13.817 -0.212 3.791 155 HB2 ARG 24 1HB ARG 24 -12.395 1.191 6.061 156 HB3 ARG 24 2HB ARG 24 -13.504 1.929 4.913 157 HG2 ARG 24 1HG ARG 24 -15.205 0.199 5.804 158 HG3 ARG 24 2HG ARG 24 -14.090 0.056 7.165 159 HD2 ARG 24 1HD ARG 24 -14.965 2.762 6.261 160 HD3 ARG 24 2HD ARG 24 -16.060 1.779 7.231 161 HE ARG 24 HE ARG 24 -13.828 1.675 8.689 162 HH11 ARG 24 1HH1 ARG 24 -15.452 4.357 7.176 163 HH12 ARG 24 2HH1 ARG 24 -14.931 5.509 8.360 164 HH21 ARG 24 1HH2 ARG 24 -13.136 3.182 10.255 165 HH22 ARG 24 2HH2 ARG 24 -13.613 4.840 10.111 166 H ASN 25 H ASN 25 -12.943 0.829 2.079 167 HA ASN 25 HA ASN 25 -10.332 0.295 1.272 168 HB2 ASN 25 1HB ASN 25 -12.046 2.602 0.329 169 HB3 ASN 25 2HB ASN 25 -10.727 1.836 -0.552 170 HD21 ASN 25 1HD2 ASN 25 -11.038 -0.191 -1.469 171 HD22 ASN 25 2HD2 ASN 25 -12.614 -0.857 -1.707 172 H SER 26 H SER 26 -11.658 3.009 3.049 173 HA SER 26 HA SER 26 -9.468 4.762 2.807 174 HB2 SER 26 1HB SER 26 -11.497 4.518 5.042 175 HB3 SER 26 2HB SER 26 -10.407 5.884 4.804 176 HG SER 26 HG SER 26 -12.172 5.026 2.774 177 H GLN 27 H GLN 27 -9.905 1.886 4.622 178 HA GLN 27 HA GLN 27 -7.729 2.513 6.461 179 HB2 GLN 27 1HB GLN 27 -9.597 0.152 6.247 180 HB3 GLN 27 2HB GLN 27 -8.271 0.233 7.399 181 HG2 GLN 27 1HG GLN 27 -10.746 1.919 7.282 182 HG3 GLN 27 2HG GLN 27 -10.184 0.876 8.587 183 HE21 GLN 27 1HE2 GLN 27 -10.611 3.966 7.813 184 HE22 GLN 27 2HE2 GLN 27 -9.343 4.706 8.723 185 H LEU 28 H LEU 28 -8.316 0.838 3.519 186 HA LEU 28 HA LEU 28 -5.959 -0.835 3.723 187 HB2 LEU 28 1HB LEU 28 -7.557 -1.945 2.522 188 HB3 LEU 28 2HB LEU 28 -8.168 -0.473 1.770 189 HG LEU 28 HG LEU 28 -5.997 -0.480 0.414 190 HD11 LEU 28 1HD1 LEU 28 -5.114 -2.822 0.085 191 HD12 LEU 28 2HD1 LEU 28 -5.945 -3.251 1.580 192 HD13 LEU 28 3HD1 LEU 28 -4.670 -2.033 1.599 193 HD21 LEU 28 3HD2 LEU 28 -8.486 -1.474 -0.072 194 HD22 LEU 28 1HD2 LEU 28 -7.468 -2.872 -0.417 195 HD23 LEU 28 2HD2 LEU 28 -7.195 -1.351 -1.268 196 H SER 29 H SER 29 -7.046 1.844 1.640 197 HA SER 29 HA SER 29 -4.790 2.184 0.105 198 HB2 SER 29 1HB SER 29 -7.031 3.450 0.016 199 HB3 SER 29 2HB SER 29 -6.312 4.545 1.196 200 HG SER 29 HG SER 29 -4.857 3.931 -1.112 201 H GLN 30 H GLN 30 -5.438 3.503 3.331 202 HA GLN 30 HA GLN 30 -3.087 5.026 3.562 203 HB2 GLN 30 1HB GLN 30 -3.574 5.166 5.897 204 HB3 GLN 30 2HB GLN 30 -5.109 5.192 5.039 205 HG2 GLN 30 1HG GLN 30 -5.706 3.092 5.759 206 HG3 GLN 30 2HG GLN 30 -4.037 2.602 6.049 207 HE21 GLN 30 1HE2 GLN 30 -5.512 1.922 8.012 208 HE22 GLN 30 2HE2 GLN 30 -5.429 3.001 9.358 209 H HIS 31 H HIS 31 -3.621 1.647 3.692 210 HA HIS 31 HA HIS 31 -1.130 1.126 5.120 211 HB2 HIS 31 1HB HIS 31 -2.802 -0.358 5.820 212 HB3 HIS 31 2HB HIS 31 -3.408 -0.596 4.184 213 HD1 HIS 31 HD1 HIS 31 -0.534 -1.596 6.415 214 HD2 HIS 31 HD2 HIS 31 -2.283 -2.696 2.811 215 HE1 HIS 31 HE1 HIS 31 0.580 -3.753 5.758 216 H GLN 32 H GLN 32 -2.586 0.583 1.935 217 HA GLN 32 HA GLN 32 -0.529 -0.838 0.735 218 HB2 GLN 32 1HB GLN 32 -2.462 1.163 -0.435 219 HB3 GLN 32 2HB GLN 32 -1.374 0.189 -1.415 220 HG2 GLN 32 1HG GLN 32 -2.449 -1.811 -0.814 221 HG3 GLN 32 2HG GLN 32 -3.313 -1.039 0.515 222 HE21 GLN 32 1HE2 GLN 32 -4.322 -2.582 -1.756 223 HE22 GLN 32 2HE2 GLN 32 -5.446 -1.551 -2.567 224 H LYS 33 H LYS 33 -0.666 2.483 1.649 225 HA LYS 33 HA LYS 33 1.424 3.386 -0.096 226 HB2 LYS 33 1HB LYS 33 1.383 5.425 1.336 227 HB3 LYS 33 2HB LYS 33 -0.191 4.992 0.681 228 HG2 LYS 33 1HG LYS 33 -0.949 4.188 2.760 229 HG3 LYS 33 2HG LYS 33 0.680 4.188 3.440 230 HD2 LYS 33 1HD LYS 33 -0.473 6.077 4.333 231 HD3 LYS 33 2HD LYS 33 0.700 6.678 3.159 232 HE2 LYS 33 1HE LYS 33 -2.054 6.079 2.213 233 HE3 LYS 33 2HE LYS 33 -1.811 7.523 3.195 234 HZ1 LYS 33 3HZ LYS 33 -0.922 8.571 1.473 235 HZ2 LYS 33 1HZ LYS 33 -1.366 7.267 0.491 236 HZ3 LYS 33 2HZ LYS 33 0.178 7.320 1.180 237 H ILE 34 H ILE 34 1.275 1.800 2.952 238 HA ILE 34 HA ILE 34 3.684 2.625 4.114 239 HB ILE 34 HB ILE 34 3.538 0.759 5.540 240 HG12 ILE 34 1HG1 ILE 34 1.740 -1.073 4.770 241 HG13 ILE 34 2HG1 ILE 34 2.275 -0.538 3.180 242 HG21 ILE 34 1HG2 ILE 34 1.134 2.168 4.807 243 HG22 ILE 34 2HG2 ILE 34 0.759 0.566 5.440 244 HG23 ILE 34 3HG2 ILE 34 1.715 1.693 6.402 245 HD11 ILE 34 3HD1 ILE 34 4.443 -1.101 5.062 246 HD12 ILE 34 1HD1 ILE 34 3.448 -2.494 4.639 247 HD13 ILE 34 2HD1 ILE 34 4.249 -1.565 3.372 248 H HIS 35 H HIS 35 3.029 0.401 1.520 249 HA HIS 35 HA HIS 35 5.692 -0.734 1.554 250 HB2 HIS 35 1HB HIS 35 3.606 -1.032 -0.608 251 HB3 HIS 35 2HB HIS 35 4.972 -2.093 -0.277 252 HD1 HIS 35 HD1 HIS 35 4.736 -3.752 1.694 253 HD2 HIS 35 HD2 HIS 35 1.361 -1.427 1.011 254 HE1 HIS 35 HE1 HIS 35 2.896 -4.828 3.029 255 H THR 36 H THR 36 3.906 1.716 -0.198 256 HA THR 36 HA THR 36 5.906 2.081 -2.225 257 HB THR 36 HB THR 36 4.603 3.965 -2.973 258 HG1 THR 36 HG1 THR 36 3.613 3.852 -0.365 259 HG21 THR 36 3HG2 THR 36 2.708 2.834 -3.641 260 HG22 THR 36 1HG2 THR 36 2.468 2.084 -2.064 261 HG23 THR 36 2HG2 THR 36 3.736 1.492 -3.138 262 H GLY 37 H GLY 37 7.264 2.167 0.108 263 HA2 GLY 37 1HA GLY 37 8.772 4.469 -0.023 264 HA3 GLY 37 2HA GLY 37 7.534 4.802 1.179 265 H GLU 38 H GLU 38 10.538 3.344 0.566 266 HA GLU 38 HA GLU 38 10.655 2.425 3.346 267 HB2 GLU 38 1HB GLU 38 11.172 0.800 0.893 268 HB3 GLU 38 2HB GLU 38 12.157 0.508 2.320 269 HG2 GLU 38 1HG GLU 38 9.208 0.595 2.645 270 HG3 GLU 38 2HG GLU 38 9.927 -0.818 1.875 271 H LYS 39 H LYS 39 13.041 1.807 3.866 272 HA LYS 39 HA LYS 39 14.827 3.768 2.585 273 HB2 LYS 39 1HB LYS 39 14.578 3.118 5.525 274 HB3 LYS 39 2HB LYS 39 15.878 4.082 4.837 275 HG2 LYS 39 1HG LYS 39 14.473 5.856 4.340 276 HG3 LYS 39 2HG LYS 39 13.022 4.851 4.393 277 HD2 LYS 39 1HD LYS 39 12.842 5.971 6.391 278 HD3 LYS 39 2HD LYS 39 13.720 4.528 6.903 279 HE2 LYS 39 1HE LYS 39 15.234 6.947 6.020 280 HE3 LYS 39 2HE LYS 39 14.532 6.903 7.637 281 HZ1 LYS 39 3HZ LYS 39 16.871 6.108 7.493 282 HZ2 LYS 39 1HZ LYS 39 16.327 4.794 6.576 283 HZ3 LYS 39 2HZ LYS 39 15.801 4.988 8.172 284 HA PRO 40 HA PRO 40 17.659 0.456 2.010 285 HB2 PRO 40 1HB PRO 40 19.999 1.831 1.989 286 HB3 PRO 40 2HB PRO 40 18.842 1.885 0.655 287 HG2 PRO 40 1HG PRO 40 19.266 3.849 2.874 288 HG3 PRO 40 2HG PRO 40 18.998 4.152 1.147 289 HD2 PRO 40 1HD PRO 40 17.028 4.385 2.991 290 HD3 PRO 40 2HD PRO 40 16.717 3.864 1.323 291 H SER 41 H SER 41 18.516 2.796 4.546 292 HA SER 41 HA SER 41 19.652 2.559 6.516 293 HB2 SER 41 1HB SER 41 17.769 0.231 6.397 294 HB3 SER 41 2HB SER 41 18.891 0.365 7.751 295 HG SER 41 HG SER 41 16.767 1.392 8.013 296 H GLY 42 H GLY 42 21.381 2.010 4.572 297 HA2 GLY 42 1HA GLY 42 23.599 1.016 5.257 298 HA3 GLY 42 2HA GLY 42 22.712 -0.495 5.396 299 HA PRO 43 HA PRO 43 24.323 0.434 0.971 300 HB2 PRO 43 1HB PRO 43 26.694 -0.888 1.036 301 HB3 PRO 43 2HB PRO 43 26.541 0.831 1.421 302 HG2 PRO 43 1HG PRO 43 26.721 -1.517 3.270 303 HG3 PRO 43 2HG PRO 43 27.523 0.061 3.384 304 HD2 PRO 43 1HD PRO 43 25.314 -0.557 4.823 305 HD3 PRO 43 2HD PRO 43 25.653 1.090 4.253 306 H SER 44 H SER 44 22.543 -1.016 0.595 307 HA SER 44 HA SER 44 21.534 -3.002 0.075 308 HB2 SER 44 1HB SER 44 23.367 -2.578 -1.723 309 HB3 SER 44 2HB SER 44 24.208 -3.920 -0.947 310 HG SER 44 HG SER 44 21.510 -4.219 -1.648 311 H SER 45 H SER 45 22.292 -2.981 2.721 312 HA SER 45 HA SER 45 23.882 -5.131 3.560 313 HB2 SER 45 1HB SER 45 21.788 -3.427 4.814 314 HB3 SER 45 2HB SER 45 22.197 -4.936 5.629 315 HG SER 45 HG SER 45 23.682 -3.625 6.437 316 H GLY 46 H GLY 46 23.580 -7.258 3.503 317 HA2 GLY 46 1HA GLY 46 21.728 -8.659 2.171 318 HA3 GLY 46 2HA GLY 46 22.458 -9.289 3.641 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -34.779 -11.192 -19.457 2 HA2 GLY 1 1HA GLY 1 -33.648 -12.156 -17.703 3 HA3 GLY 1 2HA GLY 1 -32.389 -12.593 -18.849 4 H SER 2 H SER 2 -33.621 -9.453 -17.706 5 HA SER 2 HA SER 2 -30.896 -8.834 -16.776 6 HB2 SER 2 1HB SER 2 -31.672 -7.702 -18.974 7 HB3 SER 2 2HB SER 2 -32.711 -6.730 -17.932 8 HG SER 2 HG SER 2 -30.749 -5.675 -18.219 9 H SER 3 H SER 3 -32.867 -9.877 -15.119 10 HA SER 3 HA SER 3 -33.136 -7.704 -13.213 11 HB2 SER 3 1HB SER 3 -35.514 -8.030 -12.842 12 HB3 SER 3 2HB SER 3 -35.242 -7.641 -14.541 13 HG SER 3 HG SER 3 -35.243 -10.334 -13.831 14 H GLY 4 H GLY 4 -32.309 -8.481 -11.395 15 HA2 GLY 4 1HA GLY 4 -33.233 -10.477 -9.823 16 HA3 GLY 4 2HA GLY 4 -32.165 -11.330 -10.927 17 H SER 5 H SER 5 -32.366 -9.072 -8.290 18 HA SER 5 HA SER 5 -29.448 -9.297 -7.947 19 HB2 SER 5 1HB SER 5 -29.501 -7.038 -6.902 20 HB3 SER 5 2HB SER 5 -29.974 -7.016 -8.601 21 HG SER 5 HG SER 5 -32.210 -7.327 -7.470 22 H SER 6 H SER 6 -29.192 -10.726 -6.350 23 HA SER 6 HA SER 6 -30.291 -10.115 -3.743 24 HB2 SER 6 1HB SER 6 -31.266 -12.344 -3.397 25 HB3 SER 6 2HB SER 6 -32.062 -11.511 -4.732 26 HG SER 6 HG SER 6 -31.530 -13.152 -5.911 27 H GLY 7 H GLY 7 -28.926 -10.684 -2.140 28 HA2 GLY 7 1HA GLY 7 -27.297 -12.049 -1.091 29 HA3 GLY 7 2HA GLY 7 -26.876 -12.711 -2.664 30 H THR 8 H THR 8 -27.135 -9.328 -1.629 31 HA THR 8 HA THR 8 -24.770 -8.555 -2.958 32 HB THR 8 HB THR 8 -24.982 -6.423 -1.731 33 HG1 THR 8 HG1 THR 8 -25.928 -7.670 0.187 34 HG21 THR 8 3HG2 THR 8 -27.686 -6.375 -2.315 35 HG22 THR 8 1HG2 THR 8 -27.059 -7.659 -3.348 36 HG23 THR 8 2HG2 THR 8 -26.372 -6.038 -3.442 37 H GLY 9 H GLY 9 -22.708 -8.128 -2.221 38 HA2 GLY 9 1HA GLY 9 -22.062 -8.583 0.581 39 HA3 GLY 9 2HA GLY 9 -21.384 -9.738 -0.557 40 H GLU 10 H GLU 10 -20.732 -6.997 1.121 41 HA GLU 10 HA GLU 10 -19.447 -5.271 -0.614 42 HB2 GLU 10 1HB GLU 10 -18.808 -6.010 2.240 43 HB3 GLU 10 2HB GLU 10 -17.973 -4.724 1.380 44 HG2 GLU 10 1HG GLU 10 -19.847 -3.374 1.306 45 HG3 GLU 10 2HG GLU 10 -20.954 -4.723 1.551 46 H LYS 11 H LYS 11 -17.553 -5.247 -1.684 47 HA LYS 11 HA LYS 11 -16.112 -7.705 -1.979 48 HB2 LYS 11 1HB LYS 11 -14.820 -6.544 -3.652 49 HB3 LYS 11 2HB LYS 11 -16.516 -6.123 -3.854 50 HG2 LYS 11 1HG LYS 11 -16.157 -3.992 -2.779 51 HG3 LYS 11 2HG LYS 11 -14.476 -4.415 -2.443 52 HD2 LYS 11 1HD LYS 11 -14.177 -3.196 -4.349 53 HD3 LYS 11 2HD LYS 11 -14.435 -4.787 -5.068 54 HE2 LYS 11 1HE LYS 11 -16.606 -4.277 -5.720 55 HE3 LYS 11 2HE LYS 11 -16.749 -2.958 -4.559 56 HZ1 LYS 11 3HZ LYS 11 -14.644 -2.464 -6.399 57 HZ2 LYS 11 1HZ LYS 11 -16.012 -1.526 -6.062 58 HZ3 LYS 11 2HZ LYS 11 -16.093 -2.752 -7.224 59 H ARG 12 H ARG 12 -14.239 -8.321 -1.074 60 HA ARG 12 HA ARG 12 -13.169 -6.744 1.086 61 HB2 ARG 12 1HB ARG 12 -12.734 -9.498 0.026 62 HB3 ARG 12 2HB ARG 12 -11.474 -8.782 1.023 63 HG2 ARG 12 1HG ARG 12 -13.228 -8.353 2.762 64 HG3 ARG 12 2HG ARG 12 -14.332 -9.320 1.781 65 HD2 ARG 12 1HD ARG 12 -11.659 -10.376 2.642 66 HD3 ARG 12 2HD ARG 12 -13.071 -10.482 3.692 67 HE ARG 12 HE ARG 12 -13.510 -11.512 1.043 68 HH11 ARG 12 1HH1 ARG 12 -12.377 -12.240 4.254 69 HH12 ARG 12 2HH1 ARG 12 -12.665 -13.942 4.110 70 HH21 ARG 12 1HH2 ARG 12 -13.894 -13.751 0.842 71 HH22 ARG 12 2HH2 ARG 12 -13.527 -14.801 2.169 72 H TYR 13 H TYR 13 -11.797 -5.138 0.709 73 HA TYR 13 HA TYR 13 -10.265 -4.937 -1.692 74 HB2 TYR 13 1HB TYR 13 -9.772 -3.293 0.778 75 HB3 TYR 13 2HB TYR 13 -9.578 -2.830 -0.909 76 HD1 TYR 13 HD2 TYR 13 -12.056 -3.418 -2.180 77 HD2 TYR 13 HD1 TYR 13 -11.397 -2.000 1.777 78 HE1 TYR 13 HE2 TYR 13 -14.305 -2.423 -2.169 79 HE2 TYR 13 HE1 TYR 13 -13.645 -1.003 1.800 80 HH TYR 13 HH TYR 13 -15.576 -0.787 0.712 81 H LYS 14 H LYS 14 -8.704 -6.427 -1.966 82 HA LYS 14 HA LYS 14 -6.944 -7.129 0.247 83 HB2 LYS 14 1HB LYS 14 -7.898 -8.839 -1.358 84 HB3 LYS 14 2HB LYS 14 -6.845 -8.157 -2.590 85 HG2 LYS 14 1HG LYS 14 -4.963 -8.612 -0.856 86 HG3 LYS 14 2HG LYS 14 -6.138 -9.727 -0.154 87 HD2 LYS 14 1HD LYS 14 -4.961 -11.082 -1.626 88 HD3 LYS 14 2HD LYS 14 -6.377 -10.619 -2.573 89 HE2 LYS 14 1HE LYS 14 -4.995 -8.759 -3.540 90 HE3 LYS 14 2HE LYS 14 -3.596 -9.472 -2.739 91 HZ1 LYS 14 3HZ LYS 14 -4.228 -11.581 -3.973 92 HZ2 LYS 14 1HZ LYS 14 -3.562 -10.328 -4.893 93 HZ3 LYS 14 2HZ LYS 14 -5.230 -10.606 -4.926 94 H CYS 15 H CYS 15 -4.792 -6.646 0.365 95 HA CYS 15 HA CYS 15 -3.892 -4.380 -1.160 96 HB2 CYS 15 1HB CYS 15 -3.422 -5.001 1.344 97 HB3 CYS 15 2HB CYS 15 -2.103 -5.948 0.663 98 H ASN 16 H ASN 16 -3.296 -4.727 -3.209 99 HA ASN 16 HA ASN 16 -2.315 -7.117 -4.272 100 HB2 ASN 16 1HB ASN 16 -2.159 -4.257 -5.208 101 HB3 ASN 16 2HB ASN 16 -1.445 -5.571 -6.138 102 HD21 ASN 16 1HD2 ASN 16 -3.541 -3.861 -6.987 103 HD22 ASN 16 2HD2 ASN 16 -4.938 -4.842 -7.255 104 H GLU 17 H GLU 17 -0.790 -4.904 -2.240 105 HA GLU 17 HA GLU 17 1.894 -5.286 -3.208 106 HB2 GLU 17 1HB GLU 17 0.685 -3.944 -0.811 107 HB3 GLU 17 2HB GLU 17 2.418 -4.224 -0.892 108 HG2 GLU 17 1HG GLU 17 1.776 -1.974 -1.634 109 HG3 GLU 17 2HG GLU 17 2.590 -2.902 -2.893 110 H CYS 18 H CYS 18 0.488 -6.010 -0.012 111 HA CYS 18 HA CYS 18 2.361 -8.234 0.262 112 HB2 CYS 18 1HB CYS 18 1.450 -8.282 2.632 113 HB3 CYS 18 2HB CYS 18 2.325 -6.825 2.174 114 H GLY 19 H GLY 19 -1.132 -7.600 0.477 115 HA2 GLY 19 1HA GLY 19 -2.488 -9.322 -0.756 116 HA3 GLY 19 2HA GLY 19 -1.573 -10.505 0.166 117 H LYS 20 H LYS 20 -2.054 -7.902 2.137 118 HA LYS 20 HA LYS 20 -3.833 -9.274 3.844 119 HB2 LYS 20 1HB LYS 20 -2.669 -6.524 3.764 120 HB3 LYS 20 2HB LYS 20 -4.014 -6.838 4.854 121 HG2 LYS 20 1HG LYS 20 -2.600 -8.834 5.666 122 HG3 LYS 20 2HG LYS 20 -1.259 -7.999 4.879 123 HD2 LYS 20 1HD LYS 20 -1.125 -7.153 7.018 124 HD3 LYS 20 2HD LYS 20 -2.135 -5.938 6.231 125 HE2 LYS 20 1HE LYS 20 -3.454 -8.266 7.537 126 HE3 LYS 20 2HE LYS 20 -2.802 -6.985 8.558 127 HZ1 LYS 20 3HZ LYS 20 -4.782 -6.038 8.201 128 HZ2 LYS 20 1HZ LYS 20 -5.113 -6.965 6.825 129 HZ3 LYS 20 2HZ LYS 20 -4.141 -5.586 6.702 130 H VAL 21 H VAL 21 -5.759 -7.695 4.741 131 HA VAL 21 HA VAL 21 -7.342 -6.698 2.505 132 HB VAL 21 HB VAL 21 -9.336 -8.034 3.547 133 HG11 VAL 21 1HG1 VAL 21 -7.368 -9.579 1.881 134 HG12 VAL 21 2HG1 VAL 21 -9.131 -9.651 1.843 135 HG13 VAL 21 3HG1 VAL 21 -8.292 -8.221 1.241 136 HG21 VAL 21 3HG2 VAL 21 -6.928 -9.566 4.477 137 HG22 VAL 21 1HG2 VAL 21 -8.349 -9.074 5.398 138 HG23 VAL 21 2HG2 VAL 21 -8.479 -10.357 4.195 139 H PHE 22 H PHE 22 -8.974 -5.261 3.101 140 HA PHE 22 HA PHE 22 -9.232 -4.636 5.953 141 HB2 PHE 22 1HB PHE 22 -8.802 -2.503 3.858 142 HB3 PHE 22 2HB PHE 22 -8.893 -2.285 5.602 143 HD1 PHE 22 HD2 PHE 22 -6.892 -4.081 3.024 144 HD2 PHE 22 HD1 PHE 22 -6.940 -2.141 6.812 145 HE1 PHE 22 HE2 PHE 22 -4.448 -4.323 3.175 146 HE2 PHE 22 HE1 PHE 22 -4.496 -2.378 6.969 147 HZ PHE 22 HZ PHE 22 -3.247 -3.471 5.150 148 H SER 23 H SER 23 -11.302 -4.595 6.490 149 HA SER 23 HA SER 23 -13.446 -4.960 4.839 150 HB2 SER 23 1HB SER 23 -13.145 -3.798 7.569 151 HB3 SER 23 2HB SER 23 -14.705 -3.621 6.767 152 HG SER 23 HG SER 23 -14.930 -5.798 6.702 153 H ARG 24 H ARG 24 -11.984 -1.894 5.794 154 HA ARG 24 HA ARG 24 -13.800 -0.498 3.946 155 HB2 ARG 24 1HB ARG 24 -12.465 0.288 6.484 156 HB3 ARG 24 2HB ARG 24 -12.663 1.534 5.259 157 HG2 ARG 24 1HG ARG 24 -15.052 1.197 5.244 158 HG3 ARG 24 2HG ARG 24 -14.896 -0.148 6.376 159 HD2 ARG 24 1HD ARG 24 -15.454 1.552 7.811 160 HD3 ARG 24 2HD ARG 24 -13.694 1.648 7.859 161 HE ARG 24 HE ARG 24 -13.894 3.757 7.040 162 HH11 ARG 24 1HH1 ARG 24 -16.652 1.915 5.980 163 HH12 ARG 24 2HH1 ARG 24 -17.389 3.248 5.154 164 HH21 ARG 24 1HH2 ARG 24 -14.855 5.519 5.956 165 HH22 ARG 24 2HH2 ARG 24 -16.365 5.297 5.140 166 H ASN 25 H ASN 25 -12.999 0.736 2.297 167 HA ASN 25 HA ASN 25 -10.395 0.109 1.338 168 HB2 ASN 25 1HB ASN 25 -11.003 1.951 -0.379 169 HB3 ASN 25 2HB ASN 25 -11.966 0.477 -0.357 170 HD21 ASN 25 1HD2 ASN 25 -11.863 3.828 0.679 171 HD22 ASN 25 2HD2 ASN 25 -13.574 4.040 0.794 172 H SER 26 H SER 26 -11.833 2.930 2.890 173 HA SER 26 HA SER 26 -9.719 4.728 2.526 174 HB2 SER 26 1HB SER 26 -11.961 4.499 4.495 175 HB3 SER 26 2HB SER 26 -10.682 5.678 4.790 176 HG SER 26 HG SER 26 -12.729 6.090 3.330 177 H GLN 27 H GLN 27 -9.940 1.934 4.468 178 HA GLN 27 HA GLN 27 -7.821 2.785 6.281 179 HB2 GLN 27 1HB GLN 27 -9.502 0.284 6.131 180 HB3 GLN 27 2HB GLN 27 -8.172 0.478 7.265 181 HG2 GLN 27 1HG GLN 27 -9.494 2.695 7.857 182 HG3 GLN 27 2HG GLN 27 -10.846 1.751 7.234 183 HE21 GLN 27 1HE2 GLN 27 -11.850 1.561 9.209 184 HE22 GLN 27 2HE2 GLN 27 -11.223 0.587 10.490 185 H LEU 28 H LEU 28 -8.364 0.654 3.557 186 HA LEU 28 HA LEU 28 -5.883 -0.734 3.750 187 HB2 LEU 28 1HB LEU 28 -7.391 -1.924 2.513 188 HB3 LEU 28 2HB LEU 28 -8.054 -0.486 1.740 189 HG LEU 28 HG LEU 28 -5.848 -0.395 0.440 190 HD11 LEU 28 1HD1 LEU 28 -5.709 -3.323 1.036 191 HD12 LEU 28 2HD1 LEU 28 -4.851 -2.158 2.045 192 HD13 LEU 28 3HD1 LEU 28 -4.489 -2.266 0.323 193 HD21 LEU 28 3HD2 LEU 28 -7.291 -2.853 -0.344 194 HD22 LEU 28 1HD2 LEU 28 -6.892 -1.417 -1.288 195 HD23 LEU 28 2HD2 LEU 28 -8.258 -1.388 -0.172 196 H SER 29 H SER 29 -7.016 2.023 1.829 197 HA SER 29 HA SER 29 -4.754 2.418 0.265 198 HB2 SER 29 1HB SER 29 -6.677 3.676 -0.295 199 HB3 SER 29 2HB SER 29 -6.821 4.335 1.335 200 HG SER 29 HG SER 29 -5.149 5.683 0.952 201 H GLN 30 H GLN 30 -5.462 3.530 3.540 202 HA GLN 30 HA GLN 30 -3.185 5.177 3.832 203 HB2 GLN 30 1HB GLN 30 -4.968 3.797 5.834 204 HB3 GLN 30 2HB GLN 30 -3.630 4.832 6.316 205 HG2 GLN 30 1HG GLN 30 -4.631 6.739 5.344 206 HG3 GLN 30 2HG GLN 30 -5.836 5.763 4.504 207 HE21 GLN 30 1HE2 GLN 30 -7.109 7.533 5.674 208 HE22 GLN 30 2HE2 GLN 30 -7.726 7.110 7.231 209 H HIS 31 H HIS 31 -3.541 1.800 3.738 210 HA HIS 31 HA HIS 31 -1.102 1.292 5.257 211 HB2 HIS 31 1HB HIS 31 -2.672 -0.346 5.771 212 HB3 HIS 31 2HB HIS 31 -3.272 -0.433 4.118 213 HD1 HIS 31 HD1 HIS 31 -0.098 -1.322 6.019 214 HD2 HIS 31 HD2 HIS 31 -2.343 -2.578 2.757 215 HE1 HIS 31 HE1 HIS 31 1.022 -3.419 5.200 216 H GLN 32 H GLN 32 -2.379 0.690 1.988 217 HA GLN 32 HA GLN 32 -0.272 -0.489 0.758 218 HB2 GLN 32 1HB GLN 32 -2.167 1.621 -0.236 219 HB3 GLN 32 2HB GLN 32 -0.932 0.944 -1.289 220 HG2 GLN 32 1HG GLN 32 -1.850 -1.284 -0.956 221 HG3 GLN 32 2HG GLN 32 -3.073 -0.626 0.129 222 HE21 GLN 32 1HE2 GLN 32 -4.304 -1.886 -1.621 223 HE22 GLN 32 2HE2 GLN 32 -4.873 -0.946 -2.954 224 H LYS 33 H LYS 33 -0.585 2.954 1.495 225 HA LYS 33 HA LYS 33 1.622 3.949 0.160 226 HB2 LYS 33 1HB LYS 33 1.578 5.797 1.696 227 HB3 LYS 33 2HB LYS 33 -0.080 5.301 1.386 228 HG2 LYS 33 1HG LYS 33 0.021 3.985 3.522 229 HG3 LYS 33 2HG LYS 33 1.569 4.771 3.843 230 HD2 LYS 33 1HD LYS 33 -0.944 6.321 3.263 231 HD3 LYS 33 2HD LYS 33 -0.489 5.828 4.895 232 HE2 LYS 33 1HE LYS 33 1.656 7.018 4.619 233 HE3 LYS 33 2HE LYS 33 1.128 7.558 3.026 234 HZ1 LYS 33 3HZ LYS 33 0.735 9.280 4.628 235 HZ2 LYS 33 1HZ LYS 33 -0.136 8.229 5.628 236 HZ3 LYS 33 2HZ LYS 33 -0.758 8.670 4.119 237 H ILE 34 H ILE 34 1.462 2.308 3.277 238 HA ILE 34 HA ILE 34 4.014 2.768 4.233 239 HB ILE 34 HB ILE 34 3.757 0.916 5.638 240 HG12 ILE 34 1HG1 ILE 34 1.812 -0.779 4.910 241 HG13 ILE 34 2HG1 ILE 34 2.325 -0.255 3.310 242 HG21 ILE 34 1HG2 ILE 34 0.908 0.991 5.460 243 HG22 ILE 34 2HG2 ILE 34 1.968 1.761 6.640 244 HG23 ILE 34 3HG2 ILE 34 1.553 2.602 5.146 245 HD11 ILE 34 3HD1 ILE 34 4.038 -1.643 3.388 246 HD12 ILE 34 1HD1 ILE 34 4.633 -0.868 4.856 247 HD13 ILE 34 2HD1 ILE 34 3.490 -2.207 4.966 248 H HIS 35 H HIS 35 2.989 0.760 1.597 249 HA HIS 35 HA HIS 35 5.376 -0.809 1.440 250 HB2 HIS 35 1HB HIS 35 3.097 -0.321 -0.474 251 HB3 HIS 35 2HB HIS 35 4.474 -1.338 -0.888 252 HD1 HIS 35 HD1 HIS 35 4.888 -3.153 1.348 253 HD2 HIS 35 HD2 HIS 35 1.065 -1.903 0.305 254 HE1 HIS 35 HE1 HIS 35 3.331 -4.883 2.301 255 H THR 36 H THR 36 4.265 2.209 0.047 256 HA THR 36 HA THR 36 5.776 2.734 -2.078 257 HB THR 36 HB THR 36 4.379 4.420 -0.867 258 HG1 THR 36 HG1 THR 36 6.891 5.600 -1.347 259 HG21 THR 36 3HG2 THR 36 5.042 5.473 1.041 260 HG22 THR 36 1HG2 THR 36 6.757 5.325 0.658 261 HG23 THR 36 2HG2 THR 36 5.872 3.938 1.294 262 H GLY 37 H GLY 37 7.879 3.300 -2.616 263 HA2 GLY 37 1HA GLY 37 10.096 4.011 -1.643 264 HA3 GLY 37 2HA GLY 37 9.892 2.646 -0.555 265 H GLU 38 H GLU 38 10.567 3.631 -3.841 266 HA GLU 38 HA GLU 38 11.345 0.864 -4.481 267 HB2 GLU 38 1HB GLU 38 10.323 3.127 -6.148 268 HB3 GLU 38 2HB GLU 38 11.365 1.921 -6.892 269 HG2 GLU 38 1HG GLU 38 8.983 1.056 -5.319 270 HG3 GLU 38 2HG GLU 38 8.785 1.645 -6.968 271 H LYS 39 H LYS 39 13.061 2.354 -2.904 272 HA LYS 39 HA LYS 39 14.977 3.954 -3.850 273 HB2 LYS 39 1HB LYS 39 15.104 1.580 -2.061 274 HB3 LYS 39 2HB LYS 39 16.629 2.263 -2.607 275 HG2 LYS 39 1HG LYS 39 15.703 4.504 -1.792 276 HG3 LYS 39 2HG LYS 39 14.493 3.541 -0.940 277 HD2 LYS 39 1HD LYS 39 16.543 2.226 -0.042 278 HD3 LYS 39 2HD LYS 39 17.458 3.655 -0.530 279 HE2 LYS 39 1HE LYS 39 15.749 4.993 0.813 280 HE3 LYS 39 2HE LYS 39 15.248 3.447 1.496 281 HZ1 LYS 39 3HZ LYS 39 17.966 3.441 1.737 282 HZ2 LYS 39 1HZ LYS 39 16.857 3.760 2.975 283 HZ3 LYS 39 2HZ LYS 39 17.542 5.038 2.103 284 HA PRO 40 HA PRO 40 16.860 2.187 -7.411 285 HB2 PRO 40 1HB PRO 40 19.273 3.426 -7.308 286 HB3 PRO 40 2HB PRO 40 17.785 4.259 -7.773 287 HG2 PRO 40 1HG PRO 40 19.197 4.234 -5.133 288 HG3 PRO 40 2HG PRO 40 18.460 5.597 -5.995 289 HD2 PRO 40 1HD PRO 40 17.228 4.336 -3.941 290 HD3 PRO 40 2HD PRO 40 16.333 5.053 -5.296 291 H SER 41 H SER 41 17.909 0.339 -7.834 292 HA SER 41 HA SER 41 20.017 -0.558 -5.997 293 HB2 SER 41 1HB SER 41 19.085 -2.871 -6.108 294 HB3 SER 41 2HB SER 41 18.019 -1.732 -5.285 295 HG SER 41 HG SER 41 17.638 -3.128 -7.615 296 H GLY 42 H GLY 42 21.758 -0.506 -7.284 297 HA2 GLY 42 1HA GLY 42 22.142 -2.397 -9.316 298 HA3 GLY 42 2HA GLY 42 21.739 -0.865 -10.076 299 HA PRO 43 HA PRO 43 26.004 0.177 -9.917 300 HB2 PRO 43 1HB PRO 43 25.803 2.877 -10.121 301 HB3 PRO 43 2HB PRO 43 25.517 1.787 -11.483 302 HG2 PRO 43 1HG PRO 43 23.537 3.127 -9.682 303 HG3 PRO 43 2HG PRO 43 23.490 2.925 -11.443 304 HD2 PRO 43 1HD PRO 43 22.078 1.345 -9.757 305 HD3 PRO 43 2HD PRO 43 22.729 0.755 -11.300 306 H SER 44 H SER 44 27.562 1.498 -8.689 307 HA SER 44 HA SER 44 27.247 1.243 -5.938 308 HB2 SER 44 1HB SER 44 29.168 2.742 -7.678 309 HB3 SER 44 2HB SER 44 29.198 3.014 -5.936 310 HG SER 44 HG SER 44 29.844 0.985 -5.608 311 H SER 45 H SER 45 25.897 2.281 -4.642 312 HA SER 45 HA SER 45 25.696 5.182 -4.797 313 HB2 SER 45 1HB SER 45 23.850 4.325 -6.220 314 HB3 SER 45 2HB SER 45 23.231 3.424 -4.836 315 HG SER 45 HG SER 45 23.412 5.750 -3.870 316 H GLY 46 H GLY 46 26.319 5.736 -2.811 317 HA2 GLY 46 1HA GLY 46 25.888 6.077 -0.525 318 HA3 GLY 46 2HA GLY 46 24.822 4.680 -0.540 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -23.004 -26.660 -6.716 2 HA2 GLY 1 1HA GLY 1 -24.310 -24.963 -5.814 3 HA3 GLY 1 2HA GLY 1 -25.114 -26.349 -5.090 4 H SER 2 H SER 2 -25.607 -25.717 -3.082 5 HA SER 2 HA SER 2 -25.362 -25.081 -0.912 6 HB2 SER 2 1HB SER 2 -23.615 -26.797 -0.847 7 HB3 SER 2 2HB SER 2 -22.434 -25.637 -1.453 8 HG SER 2 HG SER 2 -23.851 -24.930 0.836 9 H SER 3 H SER 3 -25.549 -23.042 -2.771 10 HA SER 3 HA SER 3 -24.525 -20.844 -1.286 11 HB2 SER 3 1HB SER 3 -23.078 -21.709 -3.744 12 HB3 SER 3 2HB SER 3 -23.315 -19.978 -3.503 13 HG SER 3 HG SER 3 -21.990 -21.814 -1.802 14 H GLY 4 H GLY 4 -25.268 -18.784 -2.106 15 HA2 GLY 4 1HA GLY 4 -27.602 -19.114 -3.881 16 HA3 GLY 4 2HA GLY 4 -27.475 -17.907 -2.609 17 H SER 5 H SER 5 -28.121 -16.437 -4.359 18 HA SER 5 HA SER 5 -25.889 -15.755 -6.152 19 HB2 SER 5 1HB SER 5 -28.804 -14.961 -6.366 20 HB3 SER 5 2HB SER 5 -27.539 -14.594 -7.539 21 HG SER 5 HG SER 5 -27.325 -16.819 -7.918 22 H SER 6 H SER 6 -28.285 -14.355 -3.950 23 HA SER 6 HA SER 6 -26.911 -11.786 -4.009 24 HB2 SER 6 1HB SER 6 -29.521 -12.758 -2.898 25 HB3 SER 6 2HB SER 6 -28.818 -11.261 -2.287 26 HG SER 6 HG SER 6 -29.915 -11.831 -4.769 27 H GLY 7 H GLY 7 -25.340 -13.829 -2.974 28 HA2 GLY 7 1HA GLY 7 -24.904 -12.805 -0.279 29 HA3 GLY 7 2HA GLY 7 -25.222 -14.528 -0.413 30 H THR 8 H THR 8 -23.788 -15.719 -1.978 31 HA THR 8 HA THR 8 -21.164 -15.645 -1.219 32 HB THR 8 HB THR 8 -22.186 -16.512 -3.931 33 HG1 THR 8 HG1 THR 8 -21.652 -18.187 -1.710 34 HG21 THR 8 3HG2 THR 8 -19.744 -16.246 -3.869 35 HG22 THR 8 1HG2 THR 8 -20.208 -17.942 -4.002 36 HG23 THR 8 2HG2 THR 8 -19.669 -17.293 -2.453 37 H GLY 9 H GLY 9 -19.752 -14.026 -1.327 38 HA2 GLY 9 1HA GLY 9 -18.266 -12.961 -3.078 39 HA3 GLY 9 2HA GLY 9 -19.764 -12.325 -3.741 40 H GLU 10 H GLU 10 -17.573 -12.213 -0.989 41 HA GLU 10 HA GLU 10 -18.884 -9.770 -0.038 42 HB2 GLU 10 1HB GLU 10 -18.203 -11.798 1.462 43 HB3 GLU 10 2HB GLU 10 -16.593 -11.099 1.366 44 HG2 GLU 10 1HG GLU 10 -19.069 -9.774 2.443 45 HG3 GLU 10 2HG GLU 10 -17.687 -10.353 3.371 46 H LYS 11 H LYS 11 -18.144 -7.942 -0.875 47 HA LYS 11 HA LYS 11 -15.736 -7.636 -2.265 48 HB2 LYS 11 1HB LYS 11 -17.859 -6.151 -2.249 49 HB3 LYS 11 2HB LYS 11 -17.104 -5.346 -0.879 50 HG2 LYS 11 1HG LYS 11 -16.478 -4.042 -2.689 51 HG3 LYS 11 2HG LYS 11 -15.069 -5.073 -2.423 52 HD2 LYS 11 1HD LYS 11 -15.432 -5.092 -4.752 53 HD3 LYS 11 2HD LYS 11 -16.068 -6.631 -4.165 54 HE2 LYS 11 1HE LYS 11 -18.304 -5.873 -4.332 55 HE3 LYS 11 2HE LYS 11 -17.797 -4.200 -4.555 56 HZ1 LYS 11 3HZ LYS 11 -17.855 -4.551 -6.726 57 HZ2 LYS 11 1HZ LYS 11 -18.220 -6.188 -6.507 58 HZ3 LYS 11 2HZ LYS 11 -16.608 -5.683 -6.577 59 H ARG 12 H ARG 12 -13.831 -8.064 -1.321 60 HA ARG 12 HA ARG 12 -13.200 -6.624 1.171 61 HB2 ARG 12 1HB ARG 12 -12.411 -9.422 0.358 62 HB3 ARG 12 2HB ARG 12 -11.631 -8.547 1.668 63 HG2 ARG 12 1HG ARG 12 -13.785 -8.381 2.827 64 HG3 ARG 12 2HG ARG 12 -14.545 -9.291 1.520 65 HD2 ARG 12 1HD ARG 12 -12.905 -11.138 2.000 66 HD3 ARG 12 2HD ARG 12 -12.428 -10.240 3.440 67 HE ARG 12 HE ARG 12 -14.817 -11.786 3.077 68 HH11 ARG 12 1HH1 ARG 12 -13.378 -9.127 4.803 69 HH12 ARG 12 2HH1 ARG 12 -14.458 -9.249 6.153 70 HH21 ARG 12 1HH2 ARG 12 -16.245 -11.956 4.848 71 HH22 ARG 12 2HH2 ARG 12 -16.087 -10.859 6.178 72 H TYR 13 H TYR 13 -11.854 -5.032 0.647 73 HA TYR 13 HA TYR 13 -10.220 -5.017 -1.663 74 HB2 TYR 13 1HB TYR 13 -9.699 -3.270 0.724 75 HB3 TYR 13 2HB TYR 13 -9.517 -2.890 -0.985 76 HD1 TYR 13 HD2 TYR 13 -11.970 -3.384 -2.249 77 HD2 TYR 13 HD1 TYR 13 -11.338 -2.009 1.728 78 HE1 TYR 13 HE2 TYR 13 -14.200 -2.347 -2.259 79 HE2 TYR 13 HE1 TYR 13 -13.567 -0.969 1.729 80 HH TYR 13 HH TYR 13 -15.745 -1.291 -1.053 81 H LYS 14 H LYS 14 -8.692 -6.557 -1.837 82 HA LYS 14 HA LYS 14 -6.968 -7.157 0.441 83 HB2 LYS 14 1HB LYS 14 -7.732 -9.110 -0.662 84 HB3 LYS 14 2HB LYS 14 -7.373 -8.447 -2.251 85 HG2 LYS 14 1HG LYS 14 -5.122 -8.810 -0.350 86 HG3 LYS 14 2HG LYS 14 -5.820 -10.244 -1.107 87 HD2 LYS 14 1HD LYS 14 -5.581 -8.747 -3.285 88 HD3 LYS 14 2HD LYS 14 -4.309 -7.991 -2.322 89 HE2 LYS 14 1HE LYS 14 -3.090 -9.638 -3.321 90 HE3 LYS 14 2HE LYS 14 -3.638 -10.514 -1.893 91 HZ1 LYS 14 3HZ LYS 14 -5.352 -10.599 -4.254 92 HZ2 LYS 14 1HZ LYS 14 -5.039 -11.797 -3.101 93 HZ3 LYS 14 2HZ LYS 14 -3.909 -11.480 -4.319 94 H CYS 15 H CYS 15 -5.032 -6.266 0.684 95 HA CYS 15 HA CYS 15 -4.002 -4.308 -1.021 96 HB2 CYS 15 1HB CYS 15 -3.424 -4.544 1.384 97 HB3 CYS 15 2HB CYS 15 -2.471 -5.971 0.990 98 H ASN 16 H ASN 16 -3.232 -4.558 -3.004 99 HA ASN 16 HA ASN 16 -2.268 -7.101 -3.944 100 HB2 ASN 16 1HB ASN 16 -3.596 -5.292 -5.258 101 HB3 ASN 16 2HB ASN 16 -2.024 -4.530 -5.480 102 HD21 ASN 16 1HD2 ASN 16 -3.223 -7.872 -5.551 103 HD22 ASN 16 2HD2 ASN 16 -2.549 -8.258 -7.095 104 H GLU 17 H GLU 17 -0.833 -5.132 -1.942 105 HA GLU 17 HA GLU 17 1.765 -5.019 -3.292 106 HB2 GLU 17 1HB GLU 17 1.143 -3.901 -0.567 107 HB3 GLU 17 2HB GLU 17 2.443 -3.449 -1.660 108 HG2 GLU 17 1HG GLU 17 -0.436 -3.019 -2.370 109 HG3 GLU 17 2HG GLU 17 0.479 -1.847 -1.423 110 H CYS 18 H CYS 18 0.190 -6.323 -0.410 111 HA CYS 18 HA CYS 18 2.498 -8.122 -0.061 112 HB2 CYS 18 1HB CYS 18 1.847 -8.144 2.395 113 HB3 CYS 18 2HB CYS 18 2.568 -6.651 1.801 114 H GLY 19 H GLY 19 -0.992 -7.713 0.442 115 HA2 GLY 19 1HA GLY 19 -2.264 -9.643 -0.614 116 HA3 GLY 19 2HA GLY 19 -1.257 -10.653 0.412 117 H LYS 20 H LYS 20 -1.935 -7.807 2.007 118 HA LYS 20 HA LYS 20 -3.599 -9.107 3.916 119 HB2 LYS 20 1HB LYS 20 -3.019 -6.155 3.614 120 HB3 LYS 20 2HB LYS 20 -3.661 -6.947 5.046 121 HG2 LYS 20 1HG LYS 20 -1.062 -7.903 3.980 122 HG3 LYS 20 2HG LYS 20 -1.103 -6.344 4.808 123 HD2 LYS 20 1HD LYS 20 -0.734 -7.693 6.606 124 HD3 LYS 20 2HD LYS 20 -2.498 -7.754 6.576 125 HE2 LYS 20 1HE LYS 20 -2.058 -9.986 6.692 126 HE3 LYS 20 2HE LYS 20 -2.027 -9.785 4.940 127 HZ1 LYS 20 3HZ LYS 20 0.439 -9.524 6.541 128 HZ2 LYS 20 1HZ LYS 20 0.277 -9.868 4.893 129 HZ3 LYS 20 2HZ LYS 20 -0.117 -11.043 6.044 130 H VAL 21 H VAL 21 -5.615 -7.714 4.697 131 HA VAL 21 HA VAL 21 -7.230 -6.815 2.443 132 HB VAL 21 HB VAL 21 -9.142 -8.289 3.483 133 HG11 VAL 21 1HG1 VAL 21 -8.674 -8.577 1.225 134 HG12 VAL 21 2HG1 VAL 21 -7.019 -9.105 1.534 135 HG13 VAL 21 3HG1 VAL 21 -8.371 -10.177 1.902 136 HG21 VAL 21 3HG2 VAL 21 -6.627 -9.714 4.312 137 HG22 VAL 21 1HG2 VAL 21 -8.017 -9.277 5.305 138 HG23 VAL 21 2HG2 VAL 21 -8.164 -10.551 4.095 139 H PHE 22 H PHE 22 -9.117 -5.642 3.066 140 HA PHE 22 HA PHE 22 -9.417 -5.012 5.899 141 HB2 PHE 22 1HB PHE 22 -9.114 -2.796 3.873 142 HB3 PHE 22 2HB PHE 22 -9.181 -2.656 5.627 143 HD1 PHE 22 HD2 PHE 22 -7.143 -4.442 3.057 144 HD2 PHE 22 HD1 PHE 22 -7.202 -2.218 6.686 145 HE1 PHE 22 HE2 PHE 22 -4.686 -4.540 3.153 146 HE2 PHE 22 HE1 PHE 22 -4.746 -2.311 6.787 147 HZ PHE 22 HZ PHE 22 -3.484 -3.474 5.020 148 H SER 23 H SER 23 -11.351 -3.592 6.272 149 HA SER 23 HA SER 23 -13.543 -4.589 4.653 150 HB2 SER 23 1HB SER 23 -14.986 -3.795 6.399 151 HB3 SER 23 2HB SER 23 -13.597 -4.554 7.176 152 HG SER 23 HG SER 23 -14.434 -1.950 7.240 153 H ARG 24 H ARG 24 -12.254 -1.435 5.662 154 HA ARG 24 HA ARG 24 -13.858 -0.174 3.540 155 HB2 ARG 24 1HB ARG 24 -12.496 1.204 5.856 156 HB3 ARG 24 2HB ARG 24 -13.680 1.890 4.752 157 HG2 ARG 24 1HG ARG 24 -15.167 -0.081 5.704 158 HG3 ARG 24 2HG ARG 24 -14.065 0.088 7.072 159 HD2 ARG 24 1HD ARG 24 -14.585 2.545 7.056 160 HD3 ARG 24 2HD ARG 24 -15.842 2.200 5.868 161 HE ARG 24 HE ARG 24 -15.999 0.668 8.318 162 HH11 ARG 24 1HH1 ARG 24 -17.006 3.519 6.591 163 HH12 ARG 24 2HH1 ARG 24 -18.424 3.762 7.557 164 HH21 ARG 24 1HH2 ARG 24 -17.863 0.978 9.596 165 HH22 ARG 24 2HH2 ARG 24 -18.910 2.316 9.266 166 H ASN 25 H ASN 25 -12.890 0.851 1.883 167 HA ASN 25 HA ASN 25 -10.215 0.354 1.248 168 HB2 ASN 25 1HB ASN 25 -10.532 1.897 -0.612 169 HB3 ASN 25 2HB ASN 25 -11.961 0.884 -0.422 170 HD21 ASN 25 1HD2 ASN 25 -13.887 1.808 -0.005 171 HD22 ASN 25 2HD2 ASN 25 -14.136 3.511 0.149 172 H SER 26 H SER 26 -11.699 2.947 3.028 173 HA SER 26 HA SER 26 -9.603 4.832 2.845 174 HB2 SER 26 1HB SER 26 -11.734 5.611 3.584 175 HB3 SER 26 2HB SER 26 -11.793 4.422 4.885 176 HG SER 26 HG SER 26 -10.093 6.680 4.671 177 H GLN 27 H GLN 27 -9.895 1.889 4.549 178 HA GLN 27 HA GLN 27 -7.813 2.605 6.471 179 HB2 GLN 27 1HB GLN 27 -9.739 0.325 6.221 180 HB3 GLN 27 2HB GLN 27 -8.286 0.135 7.194 181 HG2 GLN 27 1HG GLN 27 -8.938 2.028 8.570 182 HG3 GLN 27 2HG GLN 27 -10.376 2.266 7.578 183 HE21 GLN 27 1HE2 GLN 27 -11.969 1.834 8.972 184 HE22 GLN 27 2HE2 GLN 27 -12.164 0.342 9.820 185 H LEU 28 H LEU 28 -8.362 0.658 3.626 186 HA LEU 28 HA LEU 28 -5.898 -0.799 3.829 187 HB2 LEU 28 1HB LEU 28 -7.471 -1.972 2.631 188 HB3 LEU 28 2HB LEU 28 -8.069 -0.533 1.808 189 HG LEU 28 HG LEU 28 -5.825 -0.561 0.555 190 HD11 LEU 28 1HD1 LEU 28 -4.699 -2.168 2.007 191 HD12 LEU 28 2HD1 LEU 28 -4.782 -2.753 0.346 192 HD13 LEU 28 3HD1 LEU 28 -5.879 -3.402 1.564 193 HD21 LEU 28 3HD2 LEU 28 -8.296 -1.541 -0.029 194 HD22 LEU 28 1HD2 LEU 28 -7.282 -2.960 -0.290 195 HD23 LEU 28 2HD2 LEU 28 -6.948 -1.465 -1.164 196 H SER 29 H SER 29 -7.064 1.920 1.867 197 HA SER 29 HA SER 29 -4.857 2.330 0.264 198 HB2 SER 29 1HB SER 29 -7.007 4.088 1.335 199 HB3 SER 29 2HB SER 29 -5.603 4.875 0.614 200 HG SER 29 HG SER 29 -5.979 3.592 -1.265 201 H GLN 30 H GLN 30 -5.433 3.515 3.553 202 HA GLN 30 HA GLN 30 -3.088 5.058 3.769 203 HB2 GLN 30 1HB GLN 30 -4.872 3.759 5.819 204 HB3 GLN 30 2HB GLN 30 -3.463 4.707 6.276 205 HG2 GLN 30 1HG GLN 30 -5.869 5.666 4.746 206 HG3 GLN 30 2HG GLN 30 -5.423 6.080 6.401 207 HE21 GLN 30 1HE2 GLN 30 -3.593 7.409 6.746 208 HE22 GLN 30 2HE2 GLN 30 -3.017 8.465 5.506 209 H HIS 31 H HIS 31 -3.583 1.683 3.766 210 HA HIS 31 HA HIS 31 -1.086 1.119 5.165 211 HB2 HIS 31 1HB HIS 31 -2.740 -0.415 5.795 212 HB3 HIS 31 2HB HIS 31 -3.349 -0.577 4.151 213 HD1 HIS 31 HD1 HIS 31 -0.297 -1.531 6.194 214 HD2 HIS 31 HD2 HIS 31 -2.373 -2.726 2.799 215 HE1 HIS 31 HE1 HIS 31 0.793 -3.675 5.459 216 H GLN 32 H GLN 32 -2.530 0.778 1.953 217 HA GLN 32 HA GLN 32 -0.450 -0.578 0.691 218 HB2 GLN 32 1HB GLN 32 -2.509 1.366 -0.326 219 HB3 GLN 32 2HB GLN 32 -1.326 0.633 -1.401 220 HG2 GLN 32 1HG GLN 32 -2.161 -1.604 -0.468 221 HG3 GLN 32 2HG GLN 32 -3.536 -0.678 0.133 222 HE21 GLN 32 1HE2 GLN 32 -5.102 -0.046 -1.254 223 HE22 GLN 32 2HE2 GLN 32 -5.123 -0.437 -2.936 224 H LYS 33 H LYS 33 -0.570 2.619 1.881 225 HA LYS 33 HA LYS 33 1.464 3.677 0.130 226 HB2 LYS 33 1HB LYS 33 1.393 5.633 1.695 227 HB3 LYS 33 2HB LYS 33 -0.155 5.232 0.963 228 HG2 LYS 33 1HG LYS 33 -0.986 4.318 2.958 229 HG3 LYS 33 2HG LYS 33 0.620 4.240 3.686 230 HD2 LYS 33 1HD LYS 33 -0.517 6.080 4.683 231 HD3 LYS 33 2HD LYS 33 0.685 6.748 3.577 232 HE2 LYS 33 1HE LYS 33 -2.056 6.252 2.538 233 HE3 LYS 33 2HE LYS 33 -1.816 7.620 3.625 234 HZ1 LYS 33 3HZ LYS 33 -0.406 8.659 2.142 235 HZ2 LYS 33 1HZ LYS 33 -1.550 7.966 1.105 236 HZ3 LYS 33 2HZ LYS 33 -0.038 7.235 1.307 237 H ILE 34 H ILE 34 1.378 1.833 2.996 238 HA ILE 34 HA ILE 34 3.790 2.683 4.204 239 HB ILE 34 HB ILE 34 3.654 0.778 5.584 240 HG12 ILE 34 1HG1 ILE 34 1.795 -0.995 4.793 241 HG13 ILE 34 2HG1 ILE 34 2.339 -0.437 3.215 242 HG21 ILE 34 1HG2 ILE 34 1.233 2.217 4.918 243 HG22 ILE 34 2HG2 ILE 34 0.886 0.620 5.580 244 HG23 ILE 34 3HG2 ILE 34 1.875 1.758 6.495 245 HD11 ILE 34 3HD1 ILE 34 3.557 -2.407 3.864 246 HD12 ILE 34 1HD1 ILE 34 4.644 -1.019 3.835 247 HD13 ILE 34 2HD1 ILE 34 4.050 -1.642 5.374 248 H HIS 35 H HIS 35 3.145 0.820 1.413 249 HA HIS 35 HA HIS 35 5.677 -0.583 1.428 250 HB2 HIS 35 1HB HIS 35 3.565 -0.350 -0.726 251 HB3 HIS 35 2HB HIS 35 4.964 -1.419 -0.784 252 HD1 HIS 35 HD1 HIS 35 5.005 -3.327 1.123 253 HD2 HIS 35 HD2 HIS 35 1.375 -1.401 0.510 254 HE1 HIS 35 HE1 HIS 35 3.272 -4.807 2.185 255 H THR 36 H THR 36 5.551 2.398 1.431 256 HA THR 36 HA THR 36 6.763 3.037 -1.156 257 HB THR 36 HB THR 36 6.737 5.411 -0.228 258 HG1 THR 36 HG1 THR 36 6.345 5.359 1.876 259 HG21 THR 36 3HG2 THR 36 4.884 4.032 -1.629 260 HG22 THR 36 1HG2 THR 36 4.731 5.741 -1.222 261 HG23 THR 36 2HG2 THR 36 3.924 4.523 -0.234 262 H GLY 37 H GLY 37 7.455 3.854 2.256 263 HA2 GLY 37 1HA GLY 37 10.004 2.804 2.418 264 HA3 GLY 37 2HA GLY 37 10.202 4.405 1.722 265 H GLU 38 H GLU 38 7.845 3.370 4.150 266 HA GLU 38 HA GLU 38 8.770 5.517 5.890 267 HB2 GLU 38 1HB GLU 38 6.302 4.987 5.311 268 HB3 GLU 38 2HB GLU 38 6.463 3.683 6.478 269 HG2 GLU 38 1HG GLU 38 5.486 5.605 7.537 270 HG3 GLU 38 2HG GLU 38 7.096 5.320 8.196 271 H LYS 39 H LYS 39 10.597 3.443 5.665 272 HA LYS 39 HA LYS 39 10.703 2.545 8.433 273 HB2 LYS 39 1HB LYS 39 11.320 0.230 7.730 274 HB3 LYS 39 2HB LYS 39 9.647 0.654 7.393 275 HG2 LYS 39 1HG LYS 39 10.192 -0.340 5.425 276 HG3 LYS 39 2HG LYS 39 10.655 1.321 5.047 277 HD2 LYS 39 1HD LYS 39 12.908 0.868 5.191 278 HD3 LYS 39 2HD LYS 39 12.670 -0.503 6.277 279 HE2 LYS 39 1HE LYS 39 12.177 -1.949 4.562 280 HE3 LYS 39 2HE LYS 39 11.593 -0.665 3.504 281 HZ1 LYS 39 3HZ LYS 39 13.710 -0.116 2.852 282 HZ2 LYS 39 1HZ LYS 39 13.862 -1.791 3.036 283 HZ3 LYS 39 2HZ LYS 39 14.438 -0.751 4.239 284 HA PRO 40 HA PRO 40 14.975 3.477 8.035 285 HB2 PRO 40 1HB PRO 40 16.056 1.751 9.831 286 HB3 PRO 40 2HB PRO 40 15.128 3.179 10.308 287 HG2 PRO 40 1HG PRO 40 14.249 0.323 10.125 288 HG3 PRO 40 2HG PRO 40 13.904 1.521 11.385 289 HD2 PRO 40 1HD PRO 40 12.123 0.894 9.445 290 HD3 PRO 40 2HD PRO 40 12.228 2.517 10.156 291 H SER 41 H SER 41 16.111 2.963 6.275 292 HA SER 41 HA SER 41 16.103 0.732 4.761 293 HB2 SER 41 1HB SER 41 17.330 2.615 3.978 294 HB3 SER 41 2HB SER 41 18.417 2.576 5.367 295 HG SER 41 HG SER 41 18.308 0.297 3.772 296 H GLY 42 H GLY 42 16.706 -1.333 4.926 297 HA2 GLY 42 1HA GLY 42 18.983 -2.255 6.308 298 HA3 GLY 42 2HA GLY 42 17.573 -2.457 7.338 299 HA PRO 43 HA PRO 43 16.811 -6.321 5.404 300 HB2 PRO 43 1HB PRO 43 14.139 -6.544 5.830 301 HB3 PRO 43 2HB PRO 43 15.335 -6.731 7.117 302 HG2 PRO 43 1HG PRO 43 13.660 -4.350 6.420 303 HG3 PRO 43 2HG PRO 43 14.036 -5.024 8.016 304 HD2 PRO 43 1HD PRO 43 15.315 -2.859 7.011 305 HD3 PRO 43 2HD PRO 43 16.111 -4.024 8.089 306 H SER 44 H SER 44 17.153 -6.081 3.222 307 HA SER 44 HA SER 44 15.021 -4.888 1.603 308 HB2 SER 44 1HB SER 44 17.888 -5.613 0.988 309 HB3 SER 44 2HB SER 44 16.740 -5.129 -0.260 310 HG SER 44 HG SER 44 17.664 -3.612 1.945 311 H SER 45 H SER 45 16.915 -7.863 1.927 312 HA SER 45 HA SER 45 15.755 -9.287 -0.188 313 HB2 SER 45 1HB SER 45 17.806 -9.853 1.337 314 HB3 SER 45 2HB SER 45 16.606 -10.670 2.336 315 HG SER 45 HG SER 45 17.784 -11.736 0.359 316 H GLY 46 H GLY 46 13.995 -10.626 -0.351 317 HA2 GLY 46 1HA GLY 46 12.398 -11.435 1.853 318 HA3 GLY 46 2HA GLY 46 11.691 -10.026 1.077 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -26.673 -9.646 -15.449 2 HA2 GLY 1 1HA GLY 1 -27.266 -8.525 -18.118 3 HA3 GLY 1 2HA GLY 1 -27.213 -7.518 -16.678 4 H SER 2 H SER 2 -25.317 -9.397 -18.943 5 HA SER 2 HA SER 2 -22.790 -8.873 -17.748 6 HB2 SER 2 1HB SER 2 -23.376 -9.568 -20.635 7 HB3 SER 2 2HB SER 2 -21.837 -9.760 -19.796 8 HG SER 2 HG SER 2 -23.765 -11.518 -19.974 9 H SER 3 H SER 3 -22.986 -6.584 -17.345 10 HA SER 3 HA SER 3 -21.645 -5.009 -19.258 11 HB2 SER 3 1HB SER 3 -23.450 -3.375 -19.758 12 HB3 SER 3 2HB SER 3 -23.777 -4.972 -20.432 13 HG SER 3 HG SER 3 -25.592 -4.009 -19.347 14 H GLY 4 H GLY 4 -20.365 -4.015 -17.839 15 HA2 GLY 4 1HA GLY 4 -19.844 -2.351 -16.291 16 HA3 GLY 4 2HA GLY 4 -21.550 -2.222 -15.893 17 H SER 5 H SER 5 -22.150 -4.813 -15.176 18 HA SER 5 HA SER 5 -20.256 -5.555 -13.080 19 HB2 SER 5 1HB SER 5 -21.638 -4.080 -11.837 20 HB3 SER 5 2HB SER 5 -23.106 -4.686 -12.604 21 HG SER 5 HG SER 5 -22.541 -5.452 -10.382 22 H SER 6 H SER 6 -19.852 -7.588 -13.697 23 HA SER 6 HA SER 6 -21.670 -9.283 -15.019 24 HB2 SER 6 1HB SER 6 -20.031 -11.043 -14.659 25 HB3 SER 6 2HB SER 6 -19.197 -9.550 -15.087 26 HG SER 6 HG SER 6 -19.263 -10.928 -12.665 27 H GLY 7 H GLY 7 -20.653 -9.127 -11.616 28 HA2 GLY 7 1HA GLY 7 -23.197 -9.975 -10.673 29 HA3 GLY 7 2HA GLY 7 -22.051 -11.307 -10.628 30 H THR 8 H THR 8 -23.317 -8.763 -8.908 31 HA THR 8 HA THR 8 -21.065 -7.894 -7.426 32 HB THR 8 HB THR 8 -23.091 -6.555 -7.472 33 HG1 THR 8 HG1 THR 8 -22.999 -7.391 -4.794 34 HG21 THR 8 3HG2 THR 8 -25.133 -7.236 -6.386 35 HG22 THR 8 1HG2 THR 8 -24.395 -8.746 -5.855 36 HG23 THR 8 2HG2 THR 8 -24.687 -8.463 -7.571 37 H GLY 9 H GLY 9 -19.948 -8.913 -5.898 38 HA2 GLY 9 1HA GLY 9 -21.283 -11.092 -4.416 39 HA3 GLY 9 2HA GLY 9 -19.644 -11.259 -5.030 40 H GLU 10 H GLU 10 -18.170 -11.073 -3.494 41 HA GLU 10 HA GLU 10 -18.794 -9.658 -1.037 42 HB2 GLU 10 1HB GLU 10 -16.853 -10.682 -0.118 43 HB3 GLU 10 2HB GLU 10 -17.658 -11.907 -1.088 44 HG2 GLU 10 1HG GLU 10 -15.357 -10.255 -2.091 45 HG3 GLU 10 2HG GLU 10 -15.164 -11.818 -1.299 46 H LYS 11 H LYS 11 -17.502 -7.992 -0.155 47 HA LYS 11 HA LYS 11 -15.912 -6.512 -2.148 48 HB2 LYS 11 1HB LYS 11 -17.950 -5.303 -1.770 49 HB3 LYS 11 2HB LYS 11 -17.785 -5.463 -0.026 50 HG2 LYS 11 1HG LYS 11 -15.801 -4.033 -0.084 51 HG3 LYS 11 2HG LYS 11 -15.980 -3.865 -1.832 52 HD2 LYS 11 1HD LYS 11 -18.112 -3.075 0.146 53 HD3 LYS 11 2HD LYS 11 -16.894 -1.958 -0.475 54 HE2 LYS 11 1HE LYS 11 -17.710 -2.725 -2.801 55 HE3 LYS 11 2HE LYS 11 -19.123 -3.330 -1.938 56 HZ1 LYS 11 3HZ LYS 11 -19.836 -1.243 -1.449 57 HZ2 LYS 11 1HZ LYS 11 -19.038 -0.904 -2.901 58 HZ3 LYS 11 2HZ LYS 11 -18.282 -0.576 -1.425 59 H ARG 12 H ARG 12 -13.965 -7.432 -1.429 60 HA ARG 12 HA ARG 12 -13.035 -6.357 1.144 61 HB2 ARG 12 1HB ARG 12 -11.612 -8.515 1.259 62 HB3 ARG 12 2HB ARG 12 -13.306 -8.596 1.727 63 HG2 ARG 12 1HG ARG 12 -13.892 -9.854 -0.079 64 HG3 ARG 12 2HG ARG 12 -12.614 -9.188 -1.097 65 HD2 ARG 12 1HD ARG 12 -10.955 -10.512 -0.005 66 HD3 ARG 12 2HD ARG 12 -12.102 -11.026 1.232 67 HE ARG 12 HE ARG 12 -13.231 -11.910 -1.061 68 HH11 ARG 12 1HH1 ARG 12 -10.058 -12.253 0.330 69 HH12 ARG 12 2HH1 ARG 12 -9.770 -13.805 -0.384 70 HH21 ARG 12 1HH2 ARG 12 -12.864 -13.953 -2.007 71 HH22 ARG 12 2HH2 ARG 12 -11.366 -14.771 -1.714 72 H TYR 13 H TYR 13 -11.582 -4.867 0.590 73 HA TYR 13 HA TYR 13 -10.077 -4.953 -1.825 74 HB2 TYR 13 1HB TYR 13 -9.463 -3.239 0.580 75 HB3 TYR 13 2HB TYR 13 -9.096 -2.905 -1.109 76 HD1 TYR 13 HD2 TYR 13 -11.227 -2.789 -2.683 77 HD2 TYR 13 HD1 TYR 13 -11.290 -2.194 1.530 78 HE1 TYR 13 HE2 TYR 13 -13.333 -1.537 -2.897 79 HE2 TYR 13 HE1 TYR 13 -13.397 -0.941 1.327 80 HH TYR 13 HH TYR 13 -15.076 -0.372 -0.048 81 H LYS 14 H LYS 14 -8.400 -6.225 -2.198 82 HA LYS 14 HA LYS 14 -6.789 -7.183 0.055 83 HB2 LYS 14 1HB LYS 14 -7.821 -8.781 -1.631 84 HB3 LYS 14 2HB LYS 14 -6.673 -8.146 -2.802 85 HG2 LYS 14 1HG LYS 14 -4.853 -8.806 -1.171 86 HG3 LYS 14 2HG LYS 14 -6.101 -9.693 -0.293 87 HD2 LYS 14 1HD LYS 14 -6.434 -11.196 -2.039 88 HD3 LYS 14 2HD LYS 14 -5.708 -10.118 -3.233 89 HE2 LYS 14 1HE LYS 14 -4.077 -11.744 -2.923 90 HE3 LYS 14 2HE LYS 14 -3.541 -10.431 -1.875 91 HZ1 LYS 14 3HZ LYS 14 -3.349 -12.270 -0.525 92 HZ2 LYS 14 1HZ LYS 14 -4.737 -13.019 -1.138 93 HZ3 LYS 14 2HZ LYS 14 -4.881 -11.698 -0.091 94 H CYS 15 H CYS 15 -4.790 -6.464 0.402 95 HA CYS 15 HA CYS 15 -3.694 -4.370 -1.182 96 HB2 CYS 15 1HB CYS 15 -3.358 -4.616 1.285 97 HB3 CYS 15 2HB CYS 15 -2.313 -5.995 0.962 98 H ASN 16 H ASN 16 -3.146 -4.933 -3.227 99 HA ASN 16 HA ASN 16 -2.066 -7.350 -4.080 100 HB2 ASN 16 1HB ASN 16 -3.005 -5.400 -5.473 101 HB3 ASN 16 2HB ASN 16 -1.384 -4.717 -5.376 102 HD21 ASN 16 1HD2 ASN 16 -3.320 -6.328 -7.349 103 HD22 ASN 16 2HD2 ASN 16 -2.177 -7.286 -8.222 104 H GLU 17 H GLU 17 -0.633 -4.947 -2.189 105 HA GLU 17 HA GLU 17 2.081 -5.346 -3.043 106 HB2 GLU 17 1HB GLU 17 1.208 -4.159 -0.415 107 HB3 GLU 17 2HB GLU 17 2.694 -3.855 -1.303 108 HG2 GLU 17 1HG GLU 17 0.041 -3.148 -2.485 109 HG3 GLU 17 2HG GLU 17 0.831 -2.079 -1.326 110 H CYS 18 H CYS 18 0.511 -5.976 0.099 111 HA CYS 18 HA CYS 18 2.456 -8.105 0.588 112 HB2 CYS 18 1HB CYS 18 1.587 -8.042 2.915 113 HB3 CYS 18 2HB CYS 18 2.215 -6.488 2.376 114 H GLY 19 H GLY 19 -1.018 -7.554 0.317 115 HA2 GLY 19 1HA GLY 19 -2.345 -9.310 -0.731 116 HA3 GLY 19 2HA GLY 19 -1.366 -10.481 0.140 117 H LYS 20 H LYS 20 -2.142 -7.758 1.998 118 HA LYS 20 HA LYS 20 -3.783 -9.319 3.756 119 HB2 LYS 20 1HB LYS 20 -2.787 -6.487 3.757 120 HB3 LYS 20 2HB LYS 20 -4.008 -7.001 4.914 121 HG2 LYS 20 1HG LYS 20 -2.257 -8.946 5.330 122 HG3 LYS 20 2HG LYS 20 -1.138 -7.719 4.731 123 HD2 LYS 20 1HD LYS 20 -1.106 -7.199 6.953 124 HD3 LYS 20 2HD LYS 20 -2.468 -6.199 6.447 125 HE2 LYS 20 1HE LYS 20 -4.041 -7.728 7.296 126 HE3 LYS 20 2HE LYS 20 -2.839 -9.010 7.437 127 HZ1 LYS 20 3HZ LYS 20 -2.270 -6.623 8.971 128 HZ2 LYS 20 1HZ LYS 20 -2.141 -8.252 9.411 129 HZ3 LYS 20 2HZ LYS 20 -3.642 -7.476 9.472 130 H VAL 21 H VAL 21 -5.794 -7.994 4.688 131 HA VAL 21 HA VAL 21 -7.395 -6.920 2.484 132 HB VAL 21 HB VAL 21 -9.345 -8.332 3.475 133 HG11 VAL 21 1HG1 VAL 21 -8.847 -8.713 1.248 134 HG12 VAL 21 2HG1 VAL 21 -7.200 -9.237 1.599 135 HG13 VAL 21 3HG1 VAL 21 -8.561 -10.296 1.970 136 HG21 VAL 21 3HG2 VAL 21 -8.347 -9.335 5.351 137 HG22 VAL 21 1HG2 VAL 21 -8.452 -10.623 4.150 138 HG23 VAL 21 2HG2 VAL 21 -6.914 -9.811 4.439 139 H PHE 22 H PHE 22 -9.083 -5.559 3.118 140 HA PHE 22 HA PHE 22 -9.295 -4.968 5.985 141 HB2 PHE 22 1HB PHE 22 -9.069 -2.829 3.863 142 HB3 PHE 22 2HB PHE 22 -9.144 -2.593 5.606 143 HD1 PHE 22 HD2 PHE 22 -7.073 -4.315 3.029 144 HD2 PHE 22 HD1 PHE 22 -7.183 -2.272 6.762 145 HE1 PHE 22 HE2 PHE 22 -4.616 -4.389 3.138 146 HE2 PHE 22 HE1 PHE 22 -4.726 -2.342 6.876 147 HZ PHE 22 HZ PHE 22 -3.440 -3.402 5.064 148 H SER 23 H SER 23 -11.221 -3.657 6.515 149 HA SER 23 HA SER 23 -13.521 -4.709 5.172 150 HB2 SER 23 1HB SER 23 -13.551 -4.413 7.592 151 HB3 SER 23 2HB SER 23 -13.288 -2.679 7.407 152 HG SER 23 HG SER 23 -15.319 -2.708 6.180 153 H ARG 24 H ARG 24 -12.205 -1.434 5.632 154 HA ARG 24 HA ARG 24 -13.840 -0.556 3.342 155 HB2 ARG 24 1HB ARG 24 -12.772 1.210 5.545 156 HB3 ARG 24 2HB ARG 24 -13.932 1.642 4.296 157 HG2 ARG 24 1HG ARG 24 -15.300 -0.338 5.404 158 HG3 ARG 24 2HG ARG 24 -14.319 0.109 6.801 159 HD2 ARG 24 1HD ARG 24 -16.504 1.281 6.703 160 HD3 ARG 24 2HD ARG 24 -15.117 2.370 6.711 161 HE ARG 24 HE ARG 24 -15.923 1.796 4.057 162 HH11 ARG 24 1HH1 ARG 24 -16.826 3.641 6.868 163 HH12 ARG 24 2HH1 ARG 24 -17.649 4.866 5.961 164 HH21 ARG 24 1HH2 ARG 24 -17.004 3.402 2.852 165 HH22 ARG 24 2HH2 ARG 24 -17.751 4.728 3.676 166 H ASN 25 H ASN 25 -12.895 0.827 1.812 167 HA ASN 25 HA ASN 25 -10.193 0.303 1.210 168 HB2 ASN 25 1HB ASN 25 -10.494 1.672 -0.695 169 HB3 ASN 25 2HB ASN 25 -12.071 0.945 -0.402 170 HD21 ASN 25 1HD2 ASN 25 -13.639 2.248 0.784 171 HD22 ASN 25 2HD2 ASN 25 -13.627 3.962 0.566 172 H SER 26 H SER 26 -11.777 2.914 2.910 173 HA SER 26 HA SER 26 -9.678 4.789 2.853 174 HB2 SER 26 1HB SER 26 -11.779 4.404 5.000 175 HB3 SER 26 2HB SER 26 -10.819 5.859 4.733 176 HG SER 26 HG SER 26 -12.247 4.893 2.556 177 H GLN 27 H GLN 27 -10.031 1.833 4.528 178 HA GLN 27 HA GLN 27 -8.027 2.543 6.534 179 HB2 GLN 27 1HB GLN 27 -9.947 0.272 6.198 180 HB3 GLN 27 2HB GLN 27 -8.524 0.056 7.209 181 HG2 GLN 27 1HG GLN 27 -9.348 2.301 8.289 182 HG3 GLN 27 2HG GLN 27 -10.898 1.795 7.619 183 HE21 GLN 27 1HE2 GLN 27 -12.021 0.202 8.592 184 HE22 GLN 27 2HE2 GLN 27 -11.501 -0.629 10.014 185 H LEU 28 H LEU 28 -8.342 0.916 3.530 186 HA LEU 28 HA LEU 28 -5.912 -0.636 3.858 187 HB2 LEU 28 1HB LEU 28 -7.458 -1.798 2.594 188 HB3 LEU 28 2HB LEU 28 -7.987 -0.355 1.730 189 HG LEU 28 HG LEU 28 -5.651 -0.425 0.636 190 HD11 LEU 28 1HD1 LEU 28 -4.660 -2.074 2.121 191 HD12 LEU 28 2HD1 LEU 28 -4.692 -2.671 0.462 192 HD13 LEU 28 3HD1 LEU 28 -5.869 -3.262 1.634 193 HD21 LEU 28 3HD2 LEU 28 -7.170 -2.763 -0.304 194 HD22 LEU 28 1HD2 LEU 28 -6.654 -1.316 -1.171 195 HD23 LEU 28 2HD2 LEU 28 -8.093 -1.267 -0.153 196 H SER 29 H SER 29 -7.048 2.131 1.955 197 HA SER 29 HA SER 29 -4.784 2.590 0.424 198 HB2 SER 29 1HB SER 29 -6.854 3.808 0.039 199 HB3 SER 29 2HB SER 29 -6.710 4.606 1.605 200 HG SER 29 HG SER 29 -4.989 4.893 -0.633 201 H GLN 30 H GLN 30 -5.475 3.535 3.748 202 HA GLN 30 HA GLN 30 -3.183 5.181 4.076 203 HB2 GLN 30 1HB GLN 30 -3.699 5.128 6.440 204 HB3 GLN 30 2HB GLN 30 -5.186 5.321 5.522 205 HG2 GLN 30 1HG GLN 30 -5.741 3.002 5.842 206 HG3 GLN 30 2HG GLN 30 -4.195 2.708 6.637 207 HE21 GLN 30 1HE2 GLN 30 -7.035 4.818 6.894 208 HE22 GLN 30 2HE2 GLN 30 -7.116 4.785 8.620 209 H HIS 31 H HIS 31 -3.602 1.816 3.919 210 HA HIS 31 HA HIS 31 -1.188 1.239 5.455 211 HB2 HIS 31 1HB HIS 31 -2.816 -0.359 5.938 212 HB3 HIS 31 2HB HIS 31 -3.374 -0.439 4.269 213 HD1 HIS 31 HD1 HIS 31 -0.458 -1.541 6.415 214 HD2 HIS 31 HD2 HIS 31 -2.251 -2.435 2.775 215 HE1 HIS 31 HE1 HIS 31 0.699 -3.616 5.587 216 H GLN 32 H GLN 32 -2.460 0.680 2.175 217 HA GLN 32 HA GLN 32 -0.286 -0.493 0.993 218 HB2 GLN 32 1HB GLN 32 -2.290 1.471 -0.095 219 HB3 GLN 32 2HB GLN 32 -1.043 0.766 -1.115 220 HG2 GLN 32 1HG GLN 32 -1.908 -1.493 -0.372 221 HG3 GLN 32 2HG GLN 32 -3.288 -0.630 0.305 222 HE21 GLN 32 1HE2 GLN 32 -4.771 -1.548 -1.068 223 HE22 GLN 32 2HE2 GLN 32 -4.842 -1.185 -2.756 224 H LYS 33 H LYS 33 -0.756 2.904 1.759 225 HA LYS 33 HA LYS 33 1.200 4.149 0.323 226 HB2 LYS 33 1HB LYS 33 1.341 5.794 2.096 227 HB3 LYS 33 2HB LYS 33 -0.330 5.280 1.905 228 HG2 LYS 33 1HG LYS 33 0.043 3.704 3.824 229 HG3 LYS 33 2HG LYS 33 1.598 4.501 4.076 230 HD2 LYS 33 1HD LYS 33 0.171 6.680 4.088 231 HD3 LYS 33 2HD LYS 33 -1.170 5.583 4.427 232 HE2 LYS 33 1HE LYS 33 -0.323 6.363 6.516 233 HE3 LYS 33 2HE LYS 33 0.163 4.677 6.338 234 HZ1 LYS 33 3HZ LYS 33 2.101 5.652 7.033 235 HZ2 LYS 33 1HZ LYS 33 1.811 7.106 6.218 236 HZ3 LYS 33 2HZ LYS 33 2.303 5.737 5.355 237 H ILE 34 H ILE 34 1.608 2.030 3.080 238 HA ILE 34 HA ILE 34 4.311 2.611 3.635 239 HB ILE 34 HB ILE 34 4.329 0.752 5.030 240 HG12 ILE 34 1HG1 ILE 34 2.140 -0.468 3.333 241 HG13 ILE 34 2HG1 ILE 34 3.840 -0.920 3.288 242 HG21 ILE 34 1HG2 ILE 34 1.974 2.327 4.931 243 HG22 ILE 34 2HG2 ILE 34 1.512 0.687 5.382 244 HG23 ILE 34 3HG2 ILE 34 2.720 1.554 6.329 245 HD11 ILE 34 3HD1 ILE 34 3.694 -1.667 5.611 246 HD12 ILE 34 1HD1 ILE 34 1.984 -1.235 5.634 247 HD13 ILE 34 2HD1 ILE 34 2.555 -2.519 4.568 248 H HIS 35 H HIS 35 2.767 0.431 1.354 249 HA HIS 35 HA HIS 35 5.255 -0.814 0.581 250 HB2 HIS 35 1HB HIS 35 2.511 -0.965 -0.686 251 HB3 HIS 35 2HB HIS 35 3.888 -1.980 -1.105 252 HD1 HIS 35 HD1 HIS 35 4.857 -3.321 1.178 253 HD2 HIS 35 HD2 HIS 35 0.863 -2.184 1.061 254 HE1 HIS 35 HE1 HIS 35 3.696 -4.767 2.877 255 H THR 36 H THR 36 3.498 1.988 -0.274 256 HA THR 36 HA THR 36 5.025 2.262 -2.777 257 HB THR 36 HB THR 36 2.450 2.411 -2.792 258 HG1 THR 36 HG1 THR 36 3.832 3.118 -4.518 259 HG21 THR 36 3HG2 THR 36 2.843 4.248 -0.813 260 HG22 THR 36 1HG2 THR 36 1.388 4.132 -1.802 261 HG23 THR 36 2HG2 THR 36 2.655 5.283 -2.228 262 H GLY 37 H GLY 37 5.603 4.579 -3.317 263 HA2 GLY 37 1HA GLY 37 5.796 6.766 -1.842 264 HA3 GLY 37 2HA GLY 37 6.925 5.730 -0.981 265 H GLU 38 H GLU 38 8.616 4.674 -2.430 266 HA GLU 38 HA GLU 38 10.400 6.397 -3.412 267 HB2 GLU 38 1HB GLU 38 11.214 4.611 -4.955 268 HB3 GLU 38 2HB GLU 38 10.924 4.057 -3.312 269 HG2 GLU 38 1HG GLU 38 9.044 2.847 -3.910 270 HG3 GLU 38 2HG GLU 38 8.808 3.761 -5.399 271 H LYS 39 H LYS 39 10.798 7.611 -5.195 272 HA LYS 39 HA LYS 39 8.831 7.508 -7.383 273 HB2 LYS 39 1HB LYS 39 9.200 10.058 -7.502 274 HB3 LYS 39 2HB LYS 39 8.143 9.429 -6.246 275 HG2 LYS 39 1HG LYS 39 9.381 10.881 -5.014 276 HG3 LYS 39 2HG LYS 39 10.378 9.434 -4.845 277 HD2 LYS 39 1HD LYS 39 11.551 10.336 -6.995 278 HD3 LYS 39 2HD LYS 39 10.840 11.876 -6.506 279 HE2 LYS 39 1HE LYS 39 12.425 10.198 -4.588 280 HE3 LYS 39 2HE LYS 39 13.213 11.322 -5.695 281 HZ1 LYS 39 3HZ LYS 39 12.831 12.384 -3.589 282 HZ2 LYS 39 1HZ LYS 39 11.182 12.009 -3.640 283 HZ3 LYS 39 2HZ LYS 39 11.835 13.103 -4.752 284 HA PRO 40 HA PRO 40 12.331 7.309 -10.042 285 HB2 PRO 40 1HB PRO 40 11.211 8.260 -12.324 286 HB3 PRO 40 2HB PRO 40 10.864 6.650 -11.683 287 HG2 PRO 40 1HG PRO 40 9.264 9.170 -11.445 288 HG3 PRO 40 2HG PRO 40 8.709 7.520 -11.784 289 HD2 PRO 40 1HD PRO 40 8.523 8.644 -9.327 290 HD3 PRO 40 2HD PRO 40 8.784 6.904 -9.564 291 H SER 41 H SER 41 10.633 10.292 -9.487 292 HA SER 41 HA SER 41 12.510 11.949 -10.898 293 HB2 SER 41 1HB SER 41 11.203 13.785 -10.188 294 HB3 SER 41 2HB SER 41 10.041 12.478 -10.417 295 HG SER 41 HG SER 41 9.758 12.328 -8.294 296 H GLY 42 H GLY 42 14.006 10.373 -9.294 297 HA2 GLY 42 1HA GLY 42 14.668 11.968 -6.917 298 HA3 GLY 42 2HA GLY 42 15.199 10.322 -7.229 299 HA PRO 43 HA PRO 43 19.076 11.958 -8.490 300 HB2 PRO 43 1HB PRO 43 19.966 9.875 -9.986 301 HB3 PRO 43 2HB PRO 43 19.896 9.829 -8.220 302 HG2 PRO 43 1HG PRO 43 17.980 8.697 -10.223 303 HG3 PRO 43 2HG PRO 43 18.594 7.970 -8.727 304 HD2 PRO 43 1HD PRO 43 16.148 9.118 -8.890 305 HD3 PRO 43 2HD PRO 43 17.115 9.140 -7.402 306 H SER 44 H SER 44 20.451 11.756 -10.728 307 HA SER 44 HA SER 44 19.564 13.594 -12.473 308 HB2 SER 44 1HB SER 44 21.799 12.503 -12.571 309 HB3 SER 44 2HB SER 44 21.051 11.100 -13.334 310 HG SER 44 HG SER 44 20.254 12.792 -14.907 311 H SER 45 H SER 45 18.023 13.824 -13.965 312 HA SER 45 HA SER 45 16.058 11.779 -14.310 313 HB2 SER 45 1HB SER 45 15.564 14.242 -14.282 314 HB3 SER 45 2HB SER 45 16.330 14.360 -15.866 315 HG SER 45 HG SER 45 14.353 12.427 -15.554 316 H GLY 46 H GLY 46 16.692 10.015 -15.426 317 HA2 GLY 46 1HA GLY 46 17.212 10.344 -18.259 318 HA3 GLY 46 2HA GLY 46 18.539 9.641 -17.345 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -29.161 -10.924 3.127 2 HA2 GLY 1 1HA GLY 1 -29.383 -10.355 6.011 3 HA3 GLY 1 2HA GLY 1 -29.726 -11.966 5.397 4 H SER 2 H SER 2 -27.962 -12.293 7.115 5 HA SER 2 HA SER 2 -25.360 -12.272 5.737 6 HB2 SER 2 1HB SER 2 -25.292 -10.590 7.499 7 HB3 SER 2 2HB SER 2 -25.872 -11.766 8.679 8 HG SER 2 HG SER 2 -23.423 -11.903 7.246 9 H SER 3 H SER 3 -24.745 -14.276 5.317 10 HA SER 3 HA SER 3 -24.820 -16.308 7.365 11 HB2 SER 3 1HB SER 3 -26.203 -17.884 6.250 12 HB3 SER 3 2HB SER 3 -27.096 -16.364 6.209 13 HG SER 3 HG SER 3 -25.548 -17.488 4.112 14 H GLY 4 H GLY 4 -23.119 -17.641 7.173 15 HA2 GLY 4 1HA GLY 4 -21.528 -18.951 6.034 16 HA3 GLY 4 2HA GLY 4 -21.903 -18.080 4.554 17 H SER 5 H SER 5 -20.985 -15.999 4.219 18 HA SER 5 HA SER 5 -18.329 -15.719 4.663 19 HB2 SER 5 1HB SER 5 -18.579 -13.321 4.209 20 HB3 SER 5 2HB SER 5 -19.625 -14.266 3.150 21 HG SER 5 HG SER 5 -20.277 -12.440 5.087 22 H SER 6 H SER 6 -16.998 -15.172 6.279 23 HA SER 6 HA SER 6 -17.859 -13.604 8.527 24 HB2 SER 6 1HB SER 6 -18.766 -15.727 9.254 25 HB3 SER 6 2HB SER 6 -17.242 -16.543 8.903 26 HG SER 6 HG SER 6 -16.284 -15.440 10.583 27 H GLY 7 H GLY 7 -16.174 -12.242 8.461 28 HA2 GLY 7 1HA GLY 7 -13.667 -12.943 9.461 29 HA3 GLY 7 2HA GLY 7 -13.544 -12.961 7.708 30 H THR 8 H THR 8 -14.037 -10.990 6.549 31 HA THR 8 HA THR 8 -13.508 -8.600 8.191 32 HB THR 8 HB THR 8 -11.667 -9.099 6.662 33 HG1 THR 8 HG1 THR 8 -12.012 -7.019 5.334 34 HG21 THR 8 3HG2 THR 8 -13.166 -10.257 4.967 35 HG22 THR 8 1HG2 THR 8 -11.904 -9.216 4.310 36 HG23 THR 8 2HG2 THR 8 -13.572 -8.647 4.374 37 H GLY 9 H GLY 9 -15.250 -9.801 5.341 38 HA2 GLY 9 1HA GLY 9 -17.694 -8.934 5.569 39 HA3 GLY 9 2HA GLY 9 -16.907 -7.376 5.360 40 H GLU 10 H GLU 10 -18.183 -7.065 3.463 41 HA GLU 10 HA GLU 10 -17.631 -8.825 1.202 42 HB2 GLU 10 1HB GLU 10 -19.938 -7.727 1.904 43 HB3 GLU 10 2HB GLU 10 -19.324 -6.380 0.955 44 HG2 GLU 10 1HG GLU 10 -19.445 -7.525 -1.014 45 HG3 GLU 10 2HG GLU 10 -19.244 -9.096 -0.242 46 H LYS 11 H LYS 11 -17.341 -7.621 -0.962 47 HA LYS 11 HA LYS 11 -15.636 -6.657 -2.191 48 HB2 LYS 11 1HB LYS 11 -15.877 -4.233 -2.254 49 HB3 LYS 11 2HB LYS 11 -17.456 -5.001 -2.151 50 HG2 LYS 11 1HG LYS 11 -17.416 -4.563 0.310 51 HG3 LYS 11 2HG LYS 11 -15.948 -3.617 0.053 52 HD2 LYS 11 1HD LYS 11 -17.146 -2.114 -1.432 53 HD3 LYS 11 2HD LYS 11 -18.609 -3.089 -1.271 54 HE2 LYS 11 1HE LYS 11 -18.689 -2.581 1.116 55 HE3 LYS 11 2HE LYS 11 -17.212 -1.629 0.971 56 HZ1 LYS 11 3HZ LYS 11 -19.806 -1.039 -0.351 57 HZ2 LYS 11 1HZ LYS 11 -18.385 -0.143 -0.552 58 HZ3 LYS 11 2HZ LYS 11 -19.140 -0.202 0.960 59 H ARG 12 H ARG 12 -14.470 -7.807 0.018 60 HA ARG 12 HA ARG 12 -12.925 -6.067 1.600 61 HB2 ARG 12 1HB ARG 12 -11.410 -8.192 1.750 62 HB3 ARG 12 2HB ARG 12 -13.018 -8.209 2.462 63 HG2 ARG 12 1HG ARG 12 -13.898 -9.493 0.691 64 HG3 ARG 12 2HG ARG 12 -12.468 -9.227 -0.309 65 HD2 ARG 12 1HD ARG 12 -11.215 -10.401 1.643 66 HD3 ARG 12 2HD ARG 12 -12.816 -11.003 2.073 67 HE ARG 12 HE ARG 12 -11.183 -11.863 -0.111 68 HH11 ARG 12 1HH1 ARG 12 -14.466 -11.488 0.983 69 HH12 ARG 12 2HH1 ARG 12 -15.089 -12.736 -0.046 70 HH21 ARG 12 1HH2 ARG 12 -11.990 -13.508 -1.469 71 HH22 ARG 12 2HH2 ARG 12 -13.680 -13.885 -1.439 72 H TYR 13 H TYR 13 -11.521 -4.634 0.832 73 HA TYR 13 HA TYR 13 -10.227 -4.932 -1.700 74 HB2 TYR 13 1HB TYR 13 -9.546 -2.937 0.463 75 HB3 TYR 13 2HB TYR 13 -9.239 -2.792 -1.264 76 HD1 TYR 13 HD2 TYR 13 -11.251 -2.617 -2.821 77 HD2 TYR 13 HD1 TYR 13 -11.542 -2.134 1.396 78 HE1 TYR 13 HE2 TYR 13 -13.398 -1.452 -3.109 79 HE2 TYR 13 HE1 TYR 13 -13.691 -0.969 1.120 80 HH TYR 13 HH TYR 13 -15.249 -0.709 -2.027 81 H LYS 14 H LYS 14 -8.645 -6.359 -1.976 82 HA LYS 14 HA LYS 14 -6.855 -7.046 0.204 83 HB2 LYS 14 1HB LYS 14 -7.872 -8.693 -1.490 84 HB3 LYS 14 2HB LYS 14 -6.676 -8.072 -2.621 85 HG2 LYS 14 1HG LYS 14 -4.956 -8.657 -0.807 86 HG3 LYS 14 2HG LYS 14 -6.249 -9.630 -0.102 87 HD2 LYS 14 1HD LYS 14 -5.134 -11.151 -1.458 88 HD3 LYS 14 2HD LYS 14 -6.475 -10.626 -2.478 89 HE2 LYS 14 1HE LYS 14 -5.106 -9.337 -3.833 90 HE3 LYS 14 2HE LYS 14 -3.846 -9.206 -2.607 91 HZ1 LYS 14 3HZ LYS 14 -3.169 -10.681 -4.383 92 HZ2 LYS 14 1HZ LYS 14 -4.531 -11.656 -4.141 93 HZ3 LYS 14 2HZ LYS 14 -3.341 -11.554 -2.944 94 H CYS 15 H CYS 15 -4.678 -6.631 0.286 95 HA CYS 15 HA CYS 15 -3.762 -4.370 -1.256 96 HB2 CYS 15 1HB CYS 15 -3.303 -4.668 1.199 97 HB3 CYS 15 2HB CYS 15 -2.220 -5.990 0.777 98 H ASN 16 H ASN 16 -3.145 -4.767 -3.289 99 HA ASN 16 HA ASN 16 -2.138 -7.202 -4.254 100 HB2 ASN 16 1HB ASN 16 -2.039 -4.388 -5.331 101 HB3 ASN 16 2HB ASN 16 -1.338 -5.745 -6.207 102 HD21 ASN 16 1HD2 ASN 16 -3.355 -4.213 -7.275 103 HD22 ASN 16 2HD2 ASN 16 -4.793 -5.163 -7.395 104 H GLU 17 H GLU 17 -0.674 -4.960 -2.262 105 HA GLU 17 HA GLU 17 2.019 -5.260 -3.257 106 HB2 GLU 17 1HB GLU 17 1.217 -4.173 -0.563 107 HB3 GLU 17 2HB GLU 17 2.682 -3.836 -1.475 108 HG2 GLU 17 1HG GLU 17 0.003 -3.091 -2.570 109 HG3 GLU 17 2HG GLU 17 0.816 -2.063 -1.391 110 H CYS 18 H CYS 18 0.346 -6.200 -0.250 111 HA CYS 18 HA CYS 18 2.359 -8.319 0.105 112 HB2 CYS 18 1HB CYS 18 1.559 -8.312 2.505 113 HB3 CYS 18 2HB CYS 18 2.399 -6.855 1.984 114 H GLY 19 H GLY 19 -1.114 -7.641 0.507 115 HA2 GLY 19 1HA GLY 19 -2.530 -9.373 -0.676 116 HA3 GLY 19 2HA GLY 19 -1.607 -10.541 0.257 117 H LYS 20 H LYS 20 -2.068 -7.790 2.082 118 HA LYS 20 HA LYS 20 -3.777 -9.097 3.924 119 HB2 LYS 20 1HB LYS 20 -3.103 -6.155 3.737 120 HB3 LYS 20 2HB LYS 20 -3.775 -6.976 5.140 121 HG2 LYS 20 1HG LYS 20 -1.214 -7.989 4.038 122 HG3 LYS 20 2HG LYS 20 -1.196 -6.460 4.921 123 HD2 LYS 20 1HD LYS 20 -0.879 -7.886 6.669 124 HD3 LYS 20 2HD LYS 20 -2.644 -7.881 6.638 125 HE2 LYS 20 1HE LYS 20 -2.232 -9.866 4.923 126 HE3 LYS 20 2HE LYS 20 -0.726 -10.000 5.830 127 HZ1 LYS 20 3HZ LYS 20 -1.853 -11.115 7.357 128 HZ2 LYS 20 1HZ LYS 20 -3.324 -10.833 6.570 129 HZ3 LYS 20 2HZ LYS 20 -2.743 -9.718 7.701 130 H VAL 21 H VAL 21 -5.759 -7.741 4.788 131 HA VAL 21 HA VAL 21 -7.382 -6.750 2.561 132 HB VAL 21 HB VAL 21 -9.326 -8.108 3.657 133 HG11 VAL 21 1HG1 VAL 21 -9.088 -9.781 2.006 134 HG12 VAL 21 2HG1 VAL 21 -8.317 -8.337 1.347 135 HG13 VAL 21 3HG1 VAL 21 -7.330 -9.641 2.010 136 HG21 VAL 21 3HG2 VAL 21 -8.426 -10.384 4.375 137 HG22 VAL 21 1HG2 VAL 21 -6.875 -9.573 4.590 138 HG23 VAL 21 2HG2 VAL 21 -8.276 -9.061 5.531 139 H PHE 22 H PHE 22 -9.128 -5.417 3.182 140 HA PHE 22 HA PHE 22 -9.330 -4.717 6.014 141 HB2 PHE 22 1HB PHE 22 -8.969 -2.608 3.881 142 HB3 PHE 22 2HB PHE 22 -9.051 -2.362 5.622 143 HD1 PHE 22 HD2 PHE 22 -7.045 -4.326 3.161 144 HD2 PHE 22 HD1 PHE 22 -7.076 -1.980 6.712 145 HE1 PHE 22 HE2 PHE 22 -4.596 -4.507 3.297 146 HE2 PHE 22 HE1 PHE 22 -4.626 -2.156 6.854 147 HZ PHE 22 HZ PHE 22 -3.383 -3.422 5.146 148 H SER 23 H SER 23 -11.375 -4.428 6.632 149 HA SER 23 HA SER 23 -13.573 -5.052 5.166 150 HB2 SER 23 1HB SER 23 -13.196 -3.297 7.561 151 HB3 SER 23 2HB SER 23 -14.788 -3.382 6.807 152 HG SER 23 HG SER 23 -14.764 -4.992 8.291 153 H ARG 24 H ARG 24 -12.193 -1.807 5.553 154 HA ARG 24 HA ARG 24 -13.842 -0.929 3.272 155 HB2 ARG 24 1HB ARG 24 -12.763 0.857 5.454 156 HB3 ARG 24 2HB ARG 24 -13.919 1.280 4.198 157 HG2 ARG 24 1HG ARG 24 -14.544 -0.862 6.190 158 HG3 ARG 24 2HG ARG 24 -14.772 0.842 6.585 159 HD2 ARG 24 1HD ARG 24 -16.174 1.048 4.527 160 HD3 ARG 24 2HD ARG 24 -16.056 -0.701 4.338 161 HE ARG 24 HE ARG 24 -17.010 0.033 6.923 162 HH11 ARG 24 1HH1 ARG 24 -17.956 -0.372 3.597 163 HH12 ARG 24 2HH1 ARG 24 -19.617 -0.691 3.972 164 HH21 ARG 24 1HH2 ARG 24 -19.194 -0.385 7.430 165 HH22 ARG 24 2HH2 ARG 24 -20.321 -0.697 6.153 166 H ASN 25 H ASN 25 -12.876 0.696 1.882 167 HA ASN 25 HA ASN 25 -10.145 0.070 1.281 168 HB2 ASN 25 1HB ASN 25 -10.432 1.619 -0.607 169 HB3 ASN 25 2HB ASN 25 -11.769 0.477 -0.510 170 HD21 ASN 25 1HD2 ASN 25 -13.792 1.222 -0.288 171 HD22 ASN 25 2HD2 ASN 25 -14.212 2.891 -0.137 172 H SER 26 H SER 26 -11.850 2.745 2.773 173 HA SER 26 HA SER 26 -9.883 4.707 2.690 174 HB2 SER 26 1HB SER 26 -12.137 5.199 3.457 175 HB3 SER 26 2HB SER 26 -11.924 4.145 4.855 176 HG SER 26 HG SER 26 -10.078 6.203 4.490 177 H GLN 27 H GLN 27 -9.982 1.770 4.465 178 HA GLN 27 HA GLN 27 -7.908 2.641 6.326 179 HB2 GLN 27 1HB GLN 27 -9.483 0.075 6.104 180 HB3 GLN 27 2HB GLN 27 -8.197 0.329 7.277 181 HG2 GLN 27 1HG GLN 27 -10.860 1.692 7.103 182 HG3 GLN 27 2HG GLN 27 -10.192 0.742 8.429 183 HE21 GLN 27 1HE2 GLN 27 -10.473 3.830 7.012 184 HE22 GLN 27 2HE2 GLN 27 -9.524 4.701 8.163 185 H LEU 28 H LEU 28 -8.374 0.604 3.525 186 HA LEU 28 HA LEU 28 -5.857 -0.731 3.696 187 HB2 LEU 28 1HB LEU 28 -7.347 -1.920 2.426 188 HB3 LEU 28 2HB LEU 28 -8.018 -0.477 1.668 189 HG LEU 28 HG LEU 28 -5.794 -0.331 0.405 190 HD11 LEU 28 1HD1 LEU 28 -5.500 -2.895 1.836 191 HD12 LEU 28 2HD1 LEU 28 -4.275 -1.768 1.256 192 HD13 LEU 28 3HD1 LEU 28 -5.042 -2.891 0.133 193 HD21 LEU 28 3HD2 LEU 28 -8.197 -1.444 -0.207 194 HD22 LEU 28 1HD2 LEU 28 -7.100 -2.791 -0.512 195 HD23 LEU 28 2HD2 LEU 28 -6.859 -1.253 -1.342 196 H SER 29 H SER 29 -7.066 2.039 1.838 197 HA SER 29 HA SER 29 -4.843 2.556 0.276 198 HB2 SER 29 1HB SER 29 -6.800 3.814 -0.170 199 HB3 SER 29 2HB SER 29 -6.898 4.400 1.491 200 HG SER 29 HG SER 29 -4.956 5.576 1.079 201 H GLN 30 H GLN 30 -5.482 3.494 3.619 202 HA GLN 30 HA GLN 30 -3.187 5.131 3.919 203 HB2 GLN 30 1HB GLN 30 -5.022 3.761 5.871 204 HB3 GLN 30 2HB GLN 30 -3.618 4.670 6.413 205 HG2 GLN 30 1HG GLN 30 -4.579 6.600 5.028 206 HG3 GLN 30 2HG GLN 30 -6.072 5.663 5.018 207 HE21 GLN 30 1HE2 GLN 30 -5.370 8.264 6.251 208 HE22 GLN 30 2HE2 GLN 30 -5.780 8.100 7.921 209 H HIS 31 H HIS 31 -3.576 1.774 3.703 210 HA HIS 31 HA HIS 31 -1.155 1.175 5.218 211 HB2 HIS 31 1HB HIS 31 -2.824 -0.430 5.625 212 HB3 HIS 31 2HB HIS 31 -3.284 -0.513 3.927 213 HD1 HIS 31 HD1 HIS 31 -0.270 -1.389 6.079 214 HD2 HIS 31 HD2 HIS 31 -2.237 -2.652 2.645 215 HE1 HIS 31 HE1 HIS 31 0.925 -3.479 5.350 216 H GLN 32 H GLN 32 -2.412 0.693 1.919 217 HA GLN 32 HA GLN 32 -0.311 -0.445 0.656 218 HB2 GLN 32 1HB GLN 32 -2.250 1.655 -0.221 219 HB3 GLN 32 2HB GLN 32 -0.939 1.200 -1.301 220 HG2 GLN 32 1HG GLN 32 -1.706 -1.186 -1.029 221 HG3 GLN 32 2HG GLN 32 -3.137 -0.541 -0.227 222 HE21 GLN 32 1HE2 GLN 32 -4.724 -0.874 -1.636 223 HE22 GLN 32 2HE2 GLN 32 -4.731 -0.343 -3.280 224 H LYS 33 H LYS 33 -0.591 2.979 1.502 225 HA LYS 33 HA LYS 33 1.635 4.002 0.240 226 HB2 LYS 33 1HB LYS 33 1.619 5.770 1.873 227 HB3 LYS 33 2HB LYS 33 -0.045 5.320 1.523 228 HG2 LYS 33 1HG LYS 33 0.001 3.903 3.588 229 HG3 LYS 33 2HG LYS 33 1.571 4.619 3.961 230 HD2 LYS 33 1HD LYS 33 -0.876 6.289 3.443 231 HD3 LYS 33 2HD LYS 33 -0.473 5.680 5.050 232 HE2 LYS 33 1HE LYS 33 0.567 7.708 5.144 233 HE3 LYS 33 2HE LYS 33 1.877 6.741 4.468 234 HZ1 LYS 33 3HZ LYS 33 0.778 7.473 2.229 235 HZ2 LYS 33 1HZ LYS 33 1.856 8.497 3.035 236 HZ3 LYS 33 2HZ LYS 33 0.189 8.752 3.165 237 H ILE 34 H ILE 34 1.453 2.259 3.307 238 HA ILE 34 HA ILE 34 4.036 2.629 4.234 239 HB ILE 34 HB ILE 34 3.726 0.795 5.638 240 HG12 ILE 34 1HG1 ILE 34 1.764 -0.874 4.922 241 HG13 ILE 34 2HG1 ILE 34 2.254 -0.346 3.316 242 HG21 ILE 34 1HG2 ILE 34 1.934 1.628 6.650 243 HG22 ILE 34 2HG2 ILE 34 1.581 2.538 5.182 244 HG23 ILE 34 3HG2 ILE 34 0.869 0.943 5.424 245 HD11 ILE 34 3HD1 ILE 34 4.403 -1.189 5.159 246 HD12 ILE 34 1HD1 ILE 34 3.329 -2.444 4.541 247 HD13 ILE 34 2HD1 ILE 34 4.235 -1.428 3.420 248 H HIS 35 H HIS 35 2.915 0.758 1.555 249 HA HIS 35 HA HIS 35 5.350 -0.803 1.350 250 HB2 HIS 35 1HB HIS 35 2.893 -0.601 -0.395 251 HB3 HIS 35 2HB HIS 35 4.278 -1.613 -0.793 252 HD1 HIS 35 HD1 HIS 35 4.852 -3.478 1.129 253 HD2 HIS 35 HD2 HIS 35 1.038 -1.829 1.155 254 HE1 HIS 35 HE1 HIS 35 3.445 -5.060 2.486 255 H THR 36 H THR 36 3.974 2.098 0.011 256 HA THR 36 HA THR 36 6.026 2.283 -2.050 257 HB THR 36 HB THR 36 4.873 4.409 -2.671 258 HG1 THR 36 HG1 THR 36 3.719 5.189 -1.059 259 HG21 THR 36 3HG2 THR 36 4.270 2.294 -3.750 260 HG22 THR 36 1HG2 THR 36 2.864 3.344 -3.580 261 HG23 THR 36 2HG2 THR 36 3.085 1.981 -2.482 262 H GLY 37 H GLY 37 7.103 2.286 0.503 263 HA2 GLY 37 1HA GLY 37 8.453 3.485 1.929 264 HA3 GLY 37 2HA GLY 37 8.853 4.402 0.484 265 H GLU 38 H GLU 38 9.109 5.991 2.393 266 HA GLU 38 HA GLU 38 6.861 7.781 2.276 267 HB2 GLU 38 1HB GLU 38 6.383 7.914 4.611 268 HB3 GLU 38 2HB GLU 38 6.292 6.218 4.159 269 HG2 GLU 38 1HG GLU 38 8.570 5.893 5.043 270 HG3 GLU 38 2HG GLU 38 8.578 7.575 5.568 271 H LYS 39 H LYS 39 7.339 9.825 3.543 272 HA LYS 39 HA LYS 39 10.225 10.388 3.382 273 HB2 LYS 39 1HB LYS 39 7.802 12.028 2.743 274 HB3 LYS 39 2HB LYS 39 9.291 12.834 3.220 275 HG2 LYS 39 1HG LYS 39 10.474 11.806 1.374 276 HG3 LYS 39 2HG LYS 39 9.024 10.910 0.918 277 HD2 LYS 39 1HD LYS 39 9.063 12.745 -0.540 278 HD3 LYS 39 2HD LYS 39 7.897 13.198 0.706 279 HE2 LYS 39 1HE LYS 39 9.326 15.078 0.250 280 HE3 LYS 39 2HE LYS 39 9.690 14.458 1.860 281 HZ1 LYS 39 3HZ LYS 39 11.644 13.406 1.044 282 HZ2 LYS 39 1HZ LYS 39 11.672 15.006 0.494 283 HZ3 LYS 39 2HZ LYS 39 11.250 13.756 -0.564 284 HA PRO 40 HA PRO 40 9.264 10.757 7.856 285 HB2 PRO 40 1HB PRO 40 11.720 9.928 8.663 286 HB3 PRO 40 2HB PRO 40 10.413 8.809 8.257 287 HG2 PRO 40 1HG PRO 40 12.742 9.687 6.593 288 HG3 PRO 40 2HG PRO 40 12.057 8.063 6.791 289 HD2 PRO 40 1HD PRO 40 11.527 9.615 4.636 290 HD3 PRO 40 2HD PRO 40 10.348 8.466 5.298 291 H SER 41 H SER 41 12.265 11.679 6.182 292 HA SER 41 HA SER 41 13.305 13.501 7.943 293 HB2 SER 41 1HB SER 41 13.316 13.342 4.951 294 HB3 SER 41 2HB SER 41 14.022 14.750 5.744 295 HG SER 41 HG SER 41 15.233 12.535 5.313 296 H GLY 42 H GLY 42 13.336 15.923 7.740 297 HA2 GLY 42 1HA GLY 42 12.116 17.912 7.020 298 HA3 GLY 42 2HA GLY 42 10.643 16.956 7.105 299 HA PRO 43 HA PRO 43 9.953 18.626 11.109 300 HB2 PRO 43 1HB PRO 43 8.273 16.733 12.092 301 HB3 PRO 43 2HB PRO 43 7.782 17.913 10.871 302 HG2 PRO 43 1HG PRO 43 8.619 15.060 10.519 303 HG3 PRO 43 2HG PRO 43 7.284 15.938 9.749 304 HD2 PRO 43 1HD PRO 43 9.641 15.482 8.497 305 HD3 PRO 43 2HD PRO 43 8.668 16.937 8.199 306 H SER 44 H SER 44 10.025 17.979 13.449 307 HA SER 44 HA SER 44 12.436 16.472 13.930 308 HB2 SER 44 1HB SER 44 10.632 18.192 15.589 309 HB3 SER 44 2HB SER 44 11.749 17.092 16.396 310 HG SER 44 HG SER 44 12.790 19.038 16.107 311 H SER 45 H SER 45 9.024 16.216 14.890 312 HA SER 45 HA SER 45 8.964 14.104 16.546 313 HB2 SER 45 1HB SER 45 7.143 14.411 14.145 314 HB3 SER 45 2HB SER 45 6.790 13.473 15.596 315 HG SER 45 HG SER 45 5.844 15.386 15.983 316 H GLY 46 H GLY 46 9.223 13.831 13.007 317 HA2 GLY 46 1HA GLY 46 10.460 12.230 11.830 318 HA3 GLY 46 2HA GLY 46 10.689 11.339 13.327 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -22.216 -25.273 -11.495 2 HA2 GLY 1 1HA GLY 1 -22.429 -22.806 -9.880 3 HA3 GLY 1 2HA GLY 1 -23.795 -23.868 -10.183 4 H SER 2 H SER 2 -22.725 -23.032 -7.628 5 HA SER 2 HA SER 2 -21.715 -25.591 -6.582 6 HB2 SER 2 1HB SER 2 -21.542 -22.803 -5.415 7 HB3 SER 2 2HB SER 2 -20.971 -24.264 -4.608 8 HG SER 2 HG SER 2 -19.487 -24.555 -6.284 9 H SER 3 H SER 3 -24.418 -25.413 -7.170 10 HA SER 3 HA SER 3 -26.541 -25.450 -6.281 11 HB2 SER 3 1HB SER 3 -26.735 -27.059 -4.434 12 HB3 SER 3 2HB SER 3 -25.592 -27.633 -5.648 13 HG SER 3 HG SER 3 -24.965 -27.737 -3.321 14 H GLY 4 H GLY 4 -25.366 -22.999 -5.712 15 HA2 GLY 4 1HA GLY 4 -26.929 -21.677 -4.053 16 HA3 GLY 4 2HA GLY 4 -25.884 -22.469 -2.883 17 H SER 5 H SER 5 -24.307 -21.219 -2.166 18 HA SER 5 HA SER 5 -22.684 -19.630 -2.048 19 HB2 SER 5 1HB SER 5 -22.007 -21.047 -4.184 20 HB3 SER 5 2HB SER 5 -22.395 -19.544 -5.021 21 HG SER 5 HG SER 5 -20.380 -19.130 -4.493 22 H SER 6 H SER 6 -25.303 -18.713 -2.069 23 HA SER 6 HA SER 6 -25.329 -16.367 -3.813 24 HB2 SER 6 1HB SER 6 -27.379 -17.861 -2.255 25 HB3 SER 6 2HB SER 6 -27.643 -16.134 -2.490 26 HG SER 6 HG SER 6 -27.954 -18.154 -4.243 27 H GLY 7 H GLY 7 -26.383 -14.366 -2.631 28 HA2 GLY 7 1HA GLY 7 -26.086 -12.659 -1.125 29 HA3 GLY 7 2HA GLY 7 -25.836 -13.904 0.090 30 H THR 8 H THR 8 -23.984 -12.937 -2.795 31 HA THR 8 HA THR 8 -21.623 -12.668 -1.051 32 HB THR 8 HB THR 8 -20.291 -13.064 -3.159 33 HG1 THR 8 HG1 THR 8 -22.482 -12.730 -4.386 34 HG21 THR 8 3HG2 THR 8 -21.624 -14.908 -1.463 35 HG22 THR 8 1HG2 THR 8 -20.104 -15.122 -2.330 36 HG23 THR 8 2HG2 THR 8 -21.627 -15.578 -3.094 37 H GLY 9 H GLY 9 -22.110 -10.459 -0.600 38 HA2 GLY 9 1HA GLY 9 -21.372 -8.678 -2.830 39 HA3 GLY 9 2HA GLY 9 -22.756 -8.299 -1.817 40 H GLU 10 H GLU 10 -19.465 -9.458 -1.093 41 HA GLU 10 HA GLU 10 -19.129 -7.093 0.632 42 HB2 GLU 10 1HB GLU 10 -18.543 -9.980 1.171 43 HB3 GLU 10 2HB GLU 10 -17.564 -8.740 1.943 44 HG2 GLU 10 1HG GLU 10 -19.435 -7.836 3.073 45 HG3 GLU 10 2HG GLU 10 -20.562 -8.791 2.111 46 H LYS 11 H LYS 11 -18.016 -5.992 -1.013 47 HA LYS 11 HA LYS 11 -15.823 -7.042 -2.438 48 HB2 LYS 11 1HB LYS 11 -16.934 -4.330 -1.929 49 HB3 LYS 11 2HB LYS 11 -15.278 -4.425 -2.513 50 HG2 LYS 11 1HG LYS 11 -16.003 -5.657 -4.466 51 HG3 LYS 11 2HG LYS 11 -17.664 -5.667 -3.868 52 HD2 LYS 11 1HD LYS 11 -17.446 -3.101 -3.850 53 HD3 LYS 11 2HD LYS 11 -16.039 -3.359 -4.885 54 HE2 LYS 11 1HE LYS 11 -18.749 -4.516 -5.492 55 HE3 LYS 11 2HE LYS 11 -18.240 -2.927 -6.062 56 HZ1 LYS 11 3HZ LYS 11 -17.752 -4.399 -7.794 57 HZ2 LYS 11 1HZ LYS 11 -17.104 -5.568 -6.757 58 HZ3 LYS 11 2HZ LYS 11 -16.260 -4.131 -7.042 59 H ARG 12 H ARG 12 -14.187 -7.939 -1.311 60 HA ARG 12 HA ARG 12 -13.099 -6.568 1.019 61 HB2 ARG 12 1HB ARG 12 -11.585 -8.643 1.056 62 HB3 ARG 12 2HB ARG 12 -13.292 -8.869 1.410 63 HG2 ARG 12 1HG ARG 12 -13.711 -9.821 -0.701 64 HG3 ARG 12 2HG ARG 12 -12.155 -9.282 -1.336 65 HD2 ARG 12 1HD ARG 12 -10.969 -10.870 -0.076 66 HD3 ARG 12 2HD ARG 12 -12.348 -11.187 0.976 67 HE ARG 12 HE ARG 12 -11.764 -12.477 -1.475 68 HH11 ARG 12 1HH1 ARG 12 -14.419 -11.268 0.426 69 HH12 ARG 12 2HH1 ARG 12 -15.567 -12.389 -0.226 70 HH21 ARG 12 1HH2 ARG 12 -13.267 -13.958 -2.341 71 HH22 ARG 12 2HH2 ARG 12 -14.911 -13.920 -1.799 72 H TYR 13 H TYR 13 -11.763 -4.938 0.545 73 HA TYR 13 HA TYR 13 -10.164 -4.861 -1.820 74 HB2 TYR 13 1HB TYR 13 -9.718 -3.110 0.583 75 HB3 TYR 13 2HB TYR 13 -9.479 -2.726 -1.118 76 HD1 TYR 13 HD2 TYR 13 -11.916 -3.320 -2.437 77 HD2 TYR 13 HD1 TYR 13 -11.370 -1.790 1.496 78 HE1 TYR 13 HE2 TYR 13 -14.155 -2.306 -2.526 79 HE2 TYR 13 HE1 TYR 13 -13.608 -0.773 1.418 80 HH TYR 13 HH TYR 13 -15.795 -1.351 -1.279 81 H LYS 14 H LYS 14 -8.584 -6.337 -2.002 82 HA LYS 14 HA LYS 14 -6.908 -6.981 0.294 83 HB2 LYS 14 1HB LYS 14 -7.781 -8.772 -1.212 84 HB3 LYS 14 2HB LYS 14 -6.807 -8.099 -2.513 85 HG2 LYS 14 1HG LYS 14 -4.870 -8.417 -0.743 86 HG3 LYS 14 2HG LYS 14 -5.978 -9.641 -0.119 87 HD2 LYS 14 1HD LYS 14 -4.819 -10.913 -1.620 88 HD3 LYS 14 2HD LYS 14 -6.098 -10.312 -2.678 89 HE2 LYS 14 1HE LYS 14 -4.680 -8.685 -3.631 90 HE3 LYS 14 2HE LYS 14 -3.467 -8.892 -2.368 91 HZ1 LYS 14 3HZ LYS 14 -4.167 -10.850 -4.487 92 HZ2 LYS 14 1HZ LYS 14 -3.093 -11.159 -3.216 93 HZ3 LYS 14 2HZ LYS 14 -2.729 -9.968 -4.359 94 H CYS 15 H CYS 15 -4.750 -6.522 0.457 95 HA CYS 15 HA CYS 15 -3.791 -4.278 -1.044 96 HB2 CYS 15 1HB CYS 15 -3.275 -4.564 1.350 97 HB3 CYS 15 2HB CYS 15 -2.356 -6.018 0.973 98 H ASN 16 H ASN 16 -3.029 -4.478 -3.039 99 HA ASN 16 HA ASN 16 -2.140 -6.906 -4.174 100 HB2 ASN 16 1HB ASN 16 -1.902 -4.031 -5.059 101 HB3 ASN 16 2HB ASN 16 -1.277 -5.367 -6.021 102 HD21 ASN 16 1HD2 ASN 16 -3.411 -3.436 -6.579 103 HD22 ASN 16 2HD2 ASN 16 -4.820 -4.379 -6.915 104 H GLU 17 H GLU 17 -0.623 -4.836 -2.029 105 HA GLU 17 HA GLU 17 2.073 -5.225 -3.009 106 HB2 GLU 17 1HB GLU 17 1.346 -4.171 -0.289 107 HB3 GLU 17 2HB GLU 17 2.776 -3.826 -1.251 108 HG2 GLU 17 1HG GLU 17 -0.022 -2.929 -1.904 109 HG3 GLU 17 2HG GLU 17 1.231 -1.933 -1.164 110 H CYS 18 H CYS 18 0.598 -5.914 0.164 111 HA CYS 18 HA CYS 18 2.438 -8.157 0.490 112 HB2 CYS 18 1HB CYS 18 1.589 -8.188 2.831 113 HB3 CYS 18 2HB CYS 18 2.289 -6.641 2.367 114 H GLY 19 H GLY 19 -1.049 -7.486 0.544 115 HA2 GLY 19 1HA GLY 19 -2.433 -9.150 -0.668 116 HA3 GLY 19 2HA GLY 19 -1.499 -10.383 0.166 117 H LYS 20 H LYS 20 -2.159 -7.682 2.100 118 HA LYS 20 HA LYS 20 -3.811 -9.211 3.856 119 HB2 LYS 20 1HB LYS 20 -2.892 -6.344 3.835 120 HB3 LYS 20 2HB LYS 20 -4.010 -6.946 5.052 121 HG2 LYS 20 1HG LYS 20 -1.488 -8.448 4.613 122 HG3 LYS 20 2HG LYS 20 -1.405 -6.898 5.454 123 HD2 LYS 20 1HD LYS 20 -1.760 -8.272 7.241 124 HD3 LYS 20 2HD LYS 20 -3.436 -7.939 6.800 125 HE2 LYS 20 1HE LYS 20 -3.772 -10.036 5.950 126 HE3 LYS 20 2HE LYS 20 -2.078 -10.247 5.510 127 HZ1 LYS 20 3HZ LYS 20 -1.642 -11.211 7.450 128 HZ2 LYS 20 1HZ LYS 20 -3.314 -11.324 7.685 129 HZ3 LYS 20 2HZ LYS 20 -2.454 -10.021 8.337 130 H VAL 21 H VAL 21 -5.765 -7.697 4.811 131 HA VAL 21 HA VAL 21 -7.406 -6.738 2.592 132 HB VAL 21 HB VAL 21 -9.358 -8.075 3.678 133 HG11 VAL 21 1HG1 VAL 21 -7.832 -10.074 2.265 134 HG12 VAL 21 2HG1 VAL 21 -9.280 -9.200 1.761 135 HG13 VAL 21 3HG1 VAL 21 -7.685 -8.497 1.489 136 HG21 VAL 21 3HG2 VAL 21 -8.362 -9.022 5.575 137 HG22 VAL 21 1HG2 VAL 21 -8.468 -10.356 4.425 138 HG23 VAL 21 2HG2 VAL 21 -6.930 -9.530 4.679 139 H PHE 22 H PHE 22 -9.218 -5.465 3.256 140 HA PHE 22 HA PHE 22 -9.372 -4.741 6.076 141 HB2 PHE 22 1HB PHE 22 -9.008 -2.618 3.958 142 HB3 PHE 22 2HB PHE 22 -9.066 -2.391 5.703 143 HD1 PHE 22 HD2 PHE 22 -7.088 -4.146 3.080 144 HD2 PHE 22 HD1 PHE 22 -7.095 -2.240 6.885 145 HE1 PHE 22 HE2 PHE 22 -4.639 -4.350 3.182 146 HE2 PHE 22 HE1 PHE 22 -4.645 -2.440 6.994 147 HZ PHE 22 HZ PHE 22 -3.414 -3.498 5.141 148 H SER 23 H SER 23 -11.418 -4.483 6.691 149 HA SER 23 HA SER 23 -13.617 -5.063 5.215 150 HB2 SER 23 1HB SER 23 -13.389 -3.135 7.533 151 HB3 SER 23 2HB SER 23 -14.931 -3.687 6.877 152 HG SER 23 HG SER 23 -13.259 -4.940 8.580 153 H ARG 24 H ARG 24 -12.188 -1.847 5.628 154 HA ARG 24 HA ARG 24 -13.884 -0.898 3.412 155 HB2 ARG 24 1HB ARG 24 -12.646 0.817 5.566 156 HB3 ARG 24 2HB ARG 24 -13.821 1.310 4.355 157 HG2 ARG 24 1HG ARG 24 -14.565 -0.872 6.228 158 HG3 ARG 24 2HG ARG 24 -14.529 0.785 6.833 159 HD2 ARG 24 1HD ARG 24 -15.943 0.168 4.275 160 HD3 ARG 24 2HD ARG 24 -16.723 -0.197 5.814 161 HE ARG 24 HE ARG 24 -15.960 2.363 6.139 162 HH11 ARG 24 1HH1 ARG 24 -17.690 0.726 3.600 163 HH12 ARG 24 2HH1 ARG 24 -18.618 2.119 3.155 164 HH21 ARG 24 1HH2 ARG 24 -17.176 4.205 5.563 165 HH22 ARG 24 2HH2 ARG 24 -18.325 4.098 4.272 166 H ASN 25 H ASN 25 -12.889 0.877 2.118 167 HA ASN 25 HA ASN 25 -10.211 0.103 1.358 168 HB2 ASN 25 1HB ASN 25 -10.643 2.041 -0.353 169 HB3 ASN 25 2HB ASN 25 -11.495 0.510 -0.529 170 HD21 ASN 25 1HD2 ASN 25 -13.153 1.516 -1.677 171 HD22 ASN 25 2HD2 ASN 25 -14.338 2.499 -0.893 172 H SER 26 H SER 26 -11.814 2.910 2.770 173 HA SER 26 HA SER 26 -9.761 4.762 2.671 174 HB2 SER 26 1HB SER 26 -11.975 5.391 3.425 175 HB3 SER 26 2HB SER 26 -11.838 4.335 4.830 176 HG SER 26 HG SER 26 -9.873 6.281 4.481 177 H GLN 27 H GLN 27 -9.956 1.859 4.473 178 HA GLN 27 HA GLN 27 -7.881 2.681 6.353 179 HB2 GLN 27 1HB GLN 27 -9.487 0.136 6.103 180 HB3 GLN 27 2HB GLN 27 -8.226 0.383 7.303 181 HG2 GLN 27 1HG GLN 27 -10.744 2.011 7.037 182 HG3 GLN 27 2HG GLN 27 -10.446 0.751 8.233 183 HE21 GLN 27 1HE2 GLN 27 -10.930 3.746 8.331 184 HE22 GLN 27 2HE2 GLN 27 -9.677 4.335 9.364 185 H LEU 28 H LEU 28 -8.344 0.694 3.523 186 HA LEU 28 HA LEU 28 -5.842 -0.682 3.726 187 HB2 LEU 28 1HB LEU 28 -7.338 -1.876 2.466 188 HB3 LEU 28 2HB LEU 28 -7.999 -0.437 1.693 189 HG LEU 28 HG LEU 28 -5.764 -0.320 0.438 190 HD11 LEU 28 1HD1 LEU 28 -4.258 -1.777 1.251 191 HD12 LEU 28 2HD1 LEU 28 -5.086 -2.923 0.198 192 HD13 LEU 28 3HD1 LEU 28 -5.493 -2.850 1.912 193 HD21 LEU 28 3HD2 LEU 28 -6.814 -1.264 -1.314 194 HD22 LEU 28 1HD2 LEU 28 -8.175 -1.363 -0.197 195 HD23 LEU 28 2HD2 LEU 28 -7.137 -2.767 -0.448 196 H SER 29 H SER 29 -7.036 2.067 1.824 197 HA SER 29 HA SER 29 -4.822 2.562 0.255 198 HB2 SER 29 1HB SER 29 -6.964 3.773 0.044 199 HB3 SER 29 2HB SER 29 -6.617 4.633 1.544 200 HG SER 29 HG SER 29 -4.550 5.175 0.285 201 H GLN 30 H GLN 30 -5.438 3.605 3.581 202 HA GLN 30 HA GLN 30 -3.035 5.117 3.814 203 HB2 GLN 30 1HB GLN 30 -4.950 4.010 5.866 204 HB3 GLN 30 2HB GLN 30 -3.551 4.987 6.289 205 HG2 GLN 30 1HG GLN 30 -4.484 6.764 4.763 206 HG3 GLN 30 2HG GLN 30 -5.960 5.803 4.695 207 HE21 GLN 30 1HE2 GLN 30 -7.461 6.504 6.015 208 HE22 GLN 30 2HE2 GLN 30 -7.209 7.222 7.566 209 H HIS 31 H HIS 31 -3.640 1.814 3.736 210 HA HIS 31 HA HIS 31 -1.367 1.111 5.428 211 HB2 HIS 31 1HB HIS 31 -3.097 -0.393 5.821 212 HB3 HIS 31 2HB HIS 31 -3.582 -0.434 4.129 213 HD1 HIS 31 HD1 HIS 31 -1.058 -1.875 6.504 214 HD2 HIS 31 HD2 HIS 31 -2.307 -2.344 2.570 215 HE1 HIS 31 HE1 HIS 31 0.054 -3.980 5.692 216 H GLN 32 H GLN 32 -2.416 0.864 2.054 217 HA GLN 32 HA GLN 32 -0.222 -0.524 1.039 218 HB2 GLN 32 1HB GLN 32 -2.236 1.347 -0.128 219 HB3 GLN 32 2HB GLN 32 -0.839 0.902 -1.100 220 HG2 GLN 32 1HG GLN 32 -1.461 -1.513 -0.591 221 HG3 GLN 32 2HG GLN 32 -2.998 -0.872 -0.014 222 HE21 GLN 32 1HE2 GLN 32 -4.483 -0.109 -1.464 223 HE22 GLN 32 2HE2 GLN 32 -4.322 -0.297 -3.173 224 H LYS 33 H LYS 33 -0.649 2.890 1.738 225 HA LYS 33 HA LYS 33 1.424 4.063 0.398 226 HB2 LYS 33 1HB LYS 33 1.624 5.549 2.504 227 HB3 LYS 33 2HB LYS 33 0.093 5.521 1.638 228 HG2 LYS 33 1HG LYS 33 -0.963 4.278 3.284 229 HG3 LYS 33 2HG LYS 33 0.559 3.687 3.953 230 HD2 LYS 33 1HD LYS 33 -0.278 5.293 5.486 231 HD3 LYS 33 2HD LYS 33 1.054 6.067 4.624 232 HE2 LYS 33 1HE LYS 33 -0.925 6.821 3.025 233 HE3 LYS 33 2HE LYS 33 -1.866 6.600 4.499 234 HZ1 LYS 33 3HZ LYS 33 -1.011 8.438 5.390 235 HZ2 LYS 33 1HZ LYS 33 -0.472 8.828 3.834 236 HZ3 LYS 33 2HZ LYS 33 0.569 8.058 4.922 237 H ILE 34 H ILE 34 1.628 1.708 2.880 238 HA ILE 34 HA ILE 34 4.234 2.307 3.839 239 HB ILE 34 HB ILE 34 4.176 0.257 4.980 240 HG12 ILE 34 1HG1 ILE 34 2.056 -0.667 3.027 241 HG13 ILE 34 2HG1 ILE 34 3.741 -1.178 3.026 242 HG21 ILE 34 1HG2 ILE 34 1.682 1.762 4.776 243 HG22 ILE 34 2HG2 ILE 34 1.477 0.129 5.407 244 HG23 ILE 34 3HG2 ILE 34 2.584 1.248 6.201 245 HD11 ILE 34 3HD1 ILE 34 2.473 -1.590 5.597 246 HD12 ILE 34 1HD1 ILE 34 1.645 -2.436 4.291 247 HD13 ILE 34 2HD1 ILE 34 3.362 -2.719 4.576 248 H HIS 35 H HIS 35 2.996 0.233 1.265 249 HA HIS 35 HA HIS 35 5.647 -0.729 0.598 250 HB2 HIS 35 1HB HIS 35 3.114 -1.137 -0.991 251 HB3 HIS 35 2HB HIS 35 4.577 -2.117 -1.021 252 HD1 HIS 35 HD1 HIS 35 5.008 -3.629 1.116 253 HD2 HIS 35 HD2 HIS 35 1.257 -1.853 0.906 254 HE1 HIS 35 HE1 HIS 35 3.583 -4.868 2.777 255 H THR 36 H THR 36 3.344 1.641 -0.542 256 HA THR 36 HA THR 36 5.076 2.286 -2.821 257 HB THR 36 HB THR 36 3.195 3.742 -3.567 258 HG1 THR 36 HG1 THR 36 1.760 2.493 -1.443 259 HG21 THR 36 3HG2 THR 36 2.625 0.823 -3.070 260 HG22 THR 36 1HG2 THR 36 3.315 1.555 -4.518 261 HG23 THR 36 2HG2 THR 36 1.626 1.847 -4.100 262 H GLY 37 H GLY 37 6.732 3.350 -1.676 263 HA2 GLY 37 1HA GLY 37 5.944 5.838 -0.308 264 HA3 GLY 37 2HA GLY 37 7.468 4.995 -0.076 265 H GLU 38 H GLU 38 8.390 7.148 -0.434 266 HA GLU 38 HA GLU 38 8.812 7.609 -3.304 267 HB2 GLU 38 1HB GLU 38 7.224 9.277 -1.995 268 HB3 GLU 38 2HB GLU 38 8.756 9.960 -1.468 269 HG2 GLU 38 1HG GLU 38 8.028 11.169 -3.380 270 HG3 GLU 38 2HG GLU 38 9.408 10.182 -3.856 271 H LYS 39 H LYS 39 10.837 8.531 -3.854 272 HA LYS 39 HA LYS 39 12.864 8.291 -1.728 273 HB2 LYS 39 1HB LYS 39 13.024 6.520 -3.443 274 HB3 LYS 39 2HB LYS 39 13.196 7.753 -4.686 275 HG2 LYS 39 1HG LYS 39 15.255 8.534 -3.463 276 HG3 LYS 39 2HG LYS 39 15.119 7.075 -2.478 277 HD2 LYS 39 1HD LYS 39 15.162 6.942 -5.477 278 HD3 LYS 39 2HD LYS 39 16.655 7.008 -4.538 279 HE2 LYS 39 1HE LYS 39 14.542 5.002 -3.864 280 HE3 LYS 39 2HE LYS 39 15.645 4.705 -5.207 281 HZ1 LYS 39 3HZ LYS 39 16.155 4.047 -2.664 282 HZ2 LYS 39 1HZ LYS 39 16.914 5.557 -2.751 283 HZ3 LYS 39 2HZ LYS 39 17.352 4.327 -3.826 284 HA PRO 40 HA PRO 40 13.836 12.528 -2.459 285 HB2 PRO 40 1HB PRO 40 16.326 12.563 -1.378 286 HB3 PRO 40 2HB PRO 40 14.855 12.487 -0.400 287 HG2 PRO 40 1HG PRO 40 16.705 10.279 -1.214 288 HG3 PRO 40 2HG PRO 40 15.947 10.580 0.361 289 HD2 PRO 40 1HD PRO 40 14.994 8.745 -1.388 290 HD3 PRO 40 2HD PRO 40 13.938 9.655 -0.289 291 H SER 41 H SER 41 15.809 13.836 -3.288 292 HA SER 41 HA SER 41 16.283 13.165 -5.943 293 HB2 SER 41 1HB SER 41 17.638 15.073 -4.051 294 HB3 SER 41 2HB SER 41 18.217 14.875 -5.705 295 HG SER 41 HG SER 41 16.438 15.793 -6.461 296 H GLY 42 H GLY 42 18.672 13.099 -3.285 297 HA2 GLY 42 1HA GLY 42 19.737 10.660 -3.456 298 HA3 GLY 42 2HA GLY 42 20.416 11.412 -4.891 299 HA PRO 43 HA PRO 43 23.573 13.430 -2.612 300 HB2 PRO 43 1HB PRO 43 23.409 16.065 -3.245 301 HB3 PRO 43 2HB PRO 43 23.965 14.836 -4.387 302 HG2 PRO 43 1HG PRO 43 21.268 16.111 -4.142 303 HG3 PRO 43 2HG PRO 43 22.207 15.752 -5.603 304 HD2 PRO 43 1HD PRO 43 20.166 14.184 -4.762 305 HD3 PRO 43 2HD PRO 43 21.582 13.533 -5.611 306 H SER 44 H SER 44 20.362 14.187 -1.905 307 HA SER 44 HA SER 44 20.198 16.223 -0.189 308 HB2 SER 44 1HB SER 44 18.519 15.037 1.054 309 HB3 SER 44 2HB SER 44 18.417 14.492 -0.620 310 HG SER 44 HG SER 44 19.556 13.147 1.595 311 H SER 45 H SER 45 20.771 16.774 1.885 312 HA SER 45 HA SER 45 23.209 16.215 2.887 313 HB2 SER 45 1HB SER 45 20.658 16.998 4.250 314 HB3 SER 45 2HB SER 45 22.090 16.664 5.224 315 HG SER 45 HG SER 45 22.831 18.537 4.662 316 H GLY 46 H GLY 46 20.260 14.611 4.112 317 HA2 GLY 46 1HA GLY 46 20.094 12.255 4.438 318 HA3 GLY 46 2HA GLY 46 21.848 12.173 4.516 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -12.880 -33.749 -19.398 2 HA2 GLY 1 1HA GLY 1 -14.356 -33.003 -17.417 3 HA3 GLY 1 2HA GLY 1 -12.624 -32.759 -17.247 4 H SER 2 H SER 2 -15.267 -31.300 -16.448 5 HA SER 2 HA SER 2 -14.212 -28.621 -17.038 6 HB2 SER 2 1HB SER 2 -17.146 -29.366 -17.089 7 HB3 SER 2 2HB SER 2 -16.473 -27.761 -17.374 8 HG SER 2 HG SER 2 -16.743 -29.844 -19.087 9 H SER 3 H SER 3 -14.066 -27.314 -15.317 10 HA SER 3 HA SER 3 -15.058 -28.331 -12.758 11 HB2 SER 3 1HB SER 3 -13.098 -26.087 -13.294 12 HB3 SER 3 2HB SER 3 -13.472 -26.795 -11.723 13 HG SER 3 HG SER 3 -12.631 -28.525 -13.735 14 H GLY 4 H GLY 4 -15.618 -26.477 -11.150 15 HA2 GLY 4 1HA GLY 4 -17.431 -24.603 -12.543 16 HA3 GLY 4 2HA GLY 4 -17.861 -25.415 -11.045 17 H SER 5 H SER 5 -16.098 -22.812 -12.496 18 HA SER 5 HA SER 5 -14.980 -21.954 -9.947 19 HB2 SER 5 1HB SER 5 -13.517 -21.704 -11.838 20 HB3 SER 5 2HB SER 5 -14.755 -20.840 -12.749 21 HG SER 5 HG SER 5 -12.967 -19.654 -11.497 22 H SER 6 H SER 6 -16.993 -21.549 -8.882 23 HA SER 6 HA SER 6 -18.078 -18.909 -9.544 24 HB2 SER 6 1HB SER 6 -19.815 -21.285 -8.836 25 HB3 SER 6 2HB SER 6 -20.368 -19.650 -9.201 26 HG SER 6 HG SER 6 -20.476 -20.375 -11.171 27 H GLY 7 H GLY 7 -18.553 -17.646 -7.804 28 HA2 GLY 7 1HA GLY 7 -19.297 -18.243 -5.278 29 HA3 GLY 7 2HA GLY 7 -17.569 -18.558 -5.241 30 H THR 8 H THR 8 -20.025 -16.093 -5.714 31 HA THR 8 HA THR 8 -18.570 -13.848 -6.239 32 HB THR 8 HB THR 8 -20.243 -12.557 -4.944 33 HG1 THR 8 HG1 THR 8 -21.962 -13.898 -3.982 34 HG21 THR 8 3HG2 THR 8 -20.782 -13.259 -7.211 35 HG22 THR 8 1HG2 THR 8 -22.225 -13.311 -6.199 36 HG23 THR 8 2HG2 THR 8 -21.381 -14.805 -6.610 37 H GLY 9 H GLY 9 -17.256 -12.452 -5.154 38 HA2 GLY 9 1HA GLY 9 -15.945 -13.444 -2.801 39 HA3 GLY 9 2HA GLY 9 -15.594 -11.937 -3.635 40 H GLU 10 H GLU 10 -15.348 -11.351 -1.255 41 HA GLU 10 HA GLU 10 -17.959 -10.510 -0.179 42 HB2 GLU 10 1HB GLU 10 -16.587 -12.159 1.187 43 HB3 GLU 10 2HB GLU 10 -15.429 -10.858 1.425 44 HG2 GLU 10 1HG GLU 10 -17.396 -9.510 2.333 45 HG3 GLU 10 2HG GLU 10 -18.252 -11.048 2.405 46 H LYS 11 H LYS 11 -16.626 -9.012 -2.147 47 HA LYS 11 HA LYS 11 -15.620 -6.986 -2.582 48 HB2 LYS 11 1HB LYS 11 -18.014 -6.537 -1.890 49 HB3 LYS 11 2HB LYS 11 -17.393 -6.104 -0.303 50 HG2 LYS 11 1HG LYS 11 -17.495 -4.042 -1.249 51 HG3 LYS 11 2HG LYS 11 -15.858 -4.498 -1.727 52 HD2 LYS 11 1HD LYS 11 -18.146 -5.185 -3.517 53 HD3 LYS 11 2HD LYS 11 -17.543 -3.526 -3.486 54 HE2 LYS 11 1HE LYS 11 -15.225 -4.583 -3.820 55 HE3 LYS 11 2HE LYS 11 -16.106 -6.039 -4.278 56 HZ1 LYS 11 3HZ LYS 11 -15.463 -4.551 -6.157 57 HZ2 LYS 11 1HZ LYS 11 -16.552 -3.403 -5.559 58 HZ3 LYS 11 2HZ LYS 11 -17.114 -4.911 -6.080 59 H ARG 12 H ARG 12 -13.903 -8.433 -1.001 60 HA ARG 12 HA ARG 12 -13.022 -6.640 1.135 61 HB2 ARG 12 1HB ARG 12 -11.463 -8.453 1.727 62 HB3 ARG 12 2HB ARG 12 -13.132 -9.006 1.687 63 HG2 ARG 12 1HG ARG 12 -12.699 -9.889 -0.610 64 HG3 ARG 12 2HG ARG 12 -10.996 -9.492 -0.373 65 HD2 ARG 12 1HD ARG 12 -10.802 -11.027 1.428 66 HD3 ARG 12 2HD ARG 12 -12.549 -11.252 1.510 67 HE ARG 12 HE ARG 12 -12.387 -12.801 -0.163 68 HH11 ARG 12 1HH1 ARG 12 -9.467 -10.906 -0.088 69 HH12 ARG 12 2HH1 ARG 12 -8.644 -11.889 -1.253 70 HH21 ARG 12 1HH2 ARG 12 -11.313 -14.104 -1.697 71 HH22 ARG 12 2HH2 ARG 12 -9.695 -13.708 -2.168 72 H TYR 13 H TYR 13 -11.519 -5.162 0.763 73 HA TYR 13 HA TYR 13 -10.103 -5.066 -1.728 74 HB2 TYR 13 1HB TYR 13 -9.602 -3.340 0.697 75 HB3 TYR 13 2HB TYR 13 -9.260 -2.959 -0.987 76 HD1 TYR 13 HD2 TYR 13 -11.724 -3.616 -2.362 77 HD2 TYR 13 HD1 TYR 13 -11.171 -1.814 1.453 78 HE1 TYR 13 HE2 TYR 13 -13.920 -2.525 -2.564 79 HE2 TYR 13 HE1 TYR 13 -13.365 -0.720 1.261 80 HH TYR 13 HH TYR 13 -14.939 -0.207 -1.383 81 H LYS 14 H LYS 14 -8.559 -6.567 -2.011 82 HA LYS 14 HA LYS 14 -6.781 -7.312 0.154 83 HB2 LYS 14 1HB LYS 14 -7.697 -8.959 -1.515 84 HB3 LYS 14 2HB LYS 14 -6.683 -8.196 -2.733 85 HG2 LYS 14 1HG LYS 14 -4.724 -8.711 -1.195 86 HG3 LYS 14 2HG LYS 14 -5.839 -9.760 -0.317 87 HD2 LYS 14 1HD LYS 14 -6.019 -11.251 -2.059 88 HD3 LYS 14 2HD LYS 14 -5.622 -10.038 -3.278 89 HE2 LYS 14 1HE LYS 14 -3.592 -10.929 -1.260 90 HE3 LYS 14 2HE LYS 14 -3.883 -11.862 -2.728 91 HZ1 LYS 14 3HZ LYS 14 -2.070 -10.031 -2.698 92 HZ2 LYS 14 1HZ LYS 14 -3.371 -8.974 -2.929 93 HZ3 LYS 14 2HZ LYS 14 -3.065 -10.198 -4.056 94 H CYS 15 H CYS 15 -4.719 -6.666 0.419 95 HA CYS 15 HA CYS 15 -3.791 -4.392 -1.048 96 HB2 CYS 15 1HB CYS 15 -3.384 -4.846 1.414 97 HB3 CYS 15 2HB CYS 15 -2.201 -6.050 0.912 98 H ASN 16 H ASN 16 -3.366 -4.895 -3.156 99 HA ASN 16 HA ASN 16 -2.204 -7.177 -4.180 100 HB2 ASN 16 1HB ASN 16 -1.286 -5.434 -5.964 101 HB3 ASN 16 2HB ASN 16 -3.000 -5.823 -5.856 102 HD21 ASN 16 1HD2 ASN 16 -4.429 -4.298 -5.151 103 HD22 ASN 16 2HD2 ASN 16 -3.996 -2.649 -4.872 104 H GLU 17 H GLU 17 -0.759 -4.748 -2.270 105 HA GLU 17 HA GLU 17 1.928 -5.038 -3.179 106 HB2 GLU 17 1HB GLU 17 1.025 -4.086 -0.461 107 HB3 GLU 17 2HB GLU 17 2.547 -3.729 -1.266 108 HG2 GLU 17 1HG GLU 17 -0.110 -2.881 -2.375 109 HG3 GLU 17 2HG GLU 17 0.816 -1.893 -1.246 110 H CYS 18 H CYS 18 0.424 -6.041 -0.100 111 HA CYS 18 HA CYS 18 2.410 -8.205 0.062 112 HB2 CYS 18 1HB CYS 18 1.828 -8.250 2.494 113 HB3 CYS 18 2HB CYS 18 2.536 -6.730 1.959 114 H GLY 19 H GLY 19 -1.035 -7.480 0.453 115 HA2 GLY 19 1HA GLY 19 -2.477 -9.228 -0.648 116 HA3 GLY 19 2HA GLY 19 -1.571 -10.382 0.320 117 H LYS 20 H LYS 20 -1.930 -7.635 2.126 118 HA LYS 20 HA LYS 20 -3.592 -8.808 4.038 119 HB2 LYS 20 1HB LYS 20 -2.625 -6.031 3.517 120 HB3 LYS 20 2HB LYS 20 -3.908 -6.263 4.698 121 HG2 LYS 20 1HG LYS 20 -2.300 -8.065 5.676 122 HG3 LYS 20 2HG LYS 20 -1.070 -7.171 4.781 123 HD2 LYS 20 1HD LYS 20 -0.993 -6.077 6.795 124 HD3 LYS 20 2HD LYS 20 -2.194 -5.099 5.950 125 HE2 LYS 20 1HE LYS 20 -3.988 -6.309 7.041 126 HE3 LYS 20 2HE LYS 20 -2.825 -7.381 7.820 127 HZ1 LYS 20 3HZ LYS 20 -3.689 -5.542 9.243 128 HZ2 LYS 20 1HZ LYS 20 -2.870 -4.447 8.246 129 HZ3 LYS 20 2HZ LYS 20 -2.003 -5.603 9.125 130 H VAL 21 H VAL 21 -5.602 -7.312 4.813 131 HA VAL 21 HA VAL 21 -7.331 -6.630 2.579 132 HB VAL 21 HB VAL 21 -9.178 -8.091 3.620 133 HG11 VAL 21 1HG1 VAL 21 -6.939 -9.530 2.208 134 HG12 VAL 21 2HG1 VAL 21 -8.662 -9.908 2.159 135 HG13 VAL 21 3HG1 VAL 21 -8.060 -8.430 1.407 136 HG21 VAL 21 3HG2 VAL 21 -6.712 -9.348 4.801 137 HG22 VAL 21 1HG2 VAL 21 -8.165 -8.798 5.637 138 HG23 VAL 21 2HG2 VAL 21 -8.230 -10.223 4.599 139 H PHE 22 H PHE 22 -9.216 -5.466 3.203 140 HA PHE 22 HA PHE 22 -9.526 -4.755 6.003 141 HB2 PHE 22 1HB PHE 22 -9.115 -2.562 3.972 142 HB3 PHE 22 2HB PHE 22 -9.213 -2.411 5.723 143 HD1 PHE 22 HD2 PHE 22 -7.169 -4.206 3.167 144 HD2 PHE 22 HD1 PHE 22 -7.251 -2.083 6.855 145 HE1 PHE 22 HE2 PHE 22 -4.718 -4.370 3.312 146 HE2 PHE 22 HE1 PHE 22 -4.800 -2.243 7.006 147 HZ PHE 22 HZ PHE 22 -3.531 -3.389 5.234 148 H SER 23 H SER 23 -11.573 -4.092 6.521 149 HA SER 23 HA SER 23 -13.689 -4.830 4.866 150 HB2 SER 23 1HB SER 23 -13.968 -4.676 7.273 151 HB3 SER 23 2HB SER 23 -13.669 -2.939 7.231 152 HG SER 23 HG SER 23 -15.651 -2.609 6.577 153 H ARG 24 H ARG 24 -12.331 -1.618 5.516 154 HA ARG 24 HA ARG 24 -13.903 -0.578 3.252 155 HB2 ARG 24 1HB ARG 24 -12.678 1.100 5.433 156 HB3 ARG 24 2HB ARG 24 -13.916 1.562 4.272 157 HG2 ARG 24 1HG ARG 24 -15.246 -0.389 5.461 158 HG3 ARG 24 2HG ARG 24 -14.153 0.011 6.787 159 HD2 ARG 24 1HD ARG 24 -14.854 2.424 6.442 160 HD3 ARG 24 2HD ARG 24 -16.133 1.801 5.401 161 HE ARG 24 HE ARG 24 -16.047 0.602 8.019 162 HH11 ARG 24 1HH1 ARG 24 -17.296 3.212 6.082 163 HH12 ARG 24 2HH1 ARG 24 -18.652 3.506 7.119 164 HH21 ARG 24 1HH2 ARG 24 -17.829 0.980 9.392 165 HH22 ARG 24 2HH2 ARG 24 -18.954 2.236 9.002 166 H ASN 25 H ASN 25 -12.856 1.122 1.970 167 HA ASN 25 HA ASN 25 -10.167 0.354 1.293 168 HB2 ASN 25 1HB ASN 25 -12.251 2.128 0.120 169 HB3 ASN 25 2HB ASN 25 -10.575 2.443 -0.319 170 HD21 ASN 25 1HD2 ASN 25 -9.461 0.036 -0.532 171 HD22 ASN 25 2HD2 ASN 25 -10.241 -0.909 -1.750 172 H SER 26 H SER 26 -11.744 3.091 2.832 173 HA SER 26 HA SER 26 -9.632 4.912 2.820 174 HB2 SER 26 1HB SER 26 -11.944 5.474 3.503 175 HB3 SER 26 2HB SER 26 -11.721 4.537 4.980 176 HG SER 26 HG SER 26 -11.299 6.675 5.445 177 H GLN 27 H GLN 27 -9.977 1.963 4.506 178 HA GLN 27 HA GLN 27 -7.965 2.675 6.502 179 HB2 GLN 27 1HB GLN 27 -9.650 0.194 6.140 180 HB3 GLN 27 2HB GLN 27 -8.439 0.384 7.401 181 HG2 GLN 27 1HG GLN 27 -10.811 2.201 7.051 182 HG3 GLN 27 2HG GLN 27 -10.772 0.811 8.136 183 HE21 GLN 27 1HE2 GLN 27 -11.313 3.247 9.160 184 HE22 GLN 27 2HE2 GLN 27 -9.983 3.817 10.104 185 H LEU 28 H LEU 28 -8.412 0.699 3.648 186 HA LEU 28 HA LEU 28 -5.944 -0.728 3.921 187 HB2 LEU 28 1HB LEU 28 -7.464 -1.897 2.654 188 HB3 LEU 28 2HB LEU 28 -8.039 -0.453 1.822 189 HG LEU 28 HG LEU 28 -5.744 -0.462 0.658 190 HD11 LEU 28 1HD1 LEU 28 -5.841 -3.305 1.656 191 HD12 LEU 28 2HD1 LEU 28 -4.657 -2.079 2.110 192 HD13 LEU 28 3HD1 LEU 28 -4.717 -2.674 0.451 193 HD21 LEU 28 3HD2 LEU 28 -8.194 -1.440 -0.029 194 HD22 LEU 28 1HD2 LEU 28 -7.159 -2.844 -0.285 195 HD23 LEU 28 2HD2 LEU 28 -6.808 -1.327 -1.114 196 H SER 29 H SER 29 -7.042 2.041 1.998 197 HA SER 29 HA SER 29 -4.829 2.481 0.427 198 HB2 SER 29 1HB SER 29 -6.695 3.864 0.026 199 HB3 SER 29 2HB SER 29 -6.773 4.394 1.706 200 HG SER 29 HG SER 29 -5.324 5.401 -0.371 201 H GLN 30 H GLN 30 -5.381 3.629 3.742 202 HA GLN 30 HA GLN 30 -2.958 5.036 4.003 203 HB2 GLN 30 1HB GLN 30 -4.659 3.730 6.134 204 HB3 GLN 30 2HB GLN 30 -3.375 4.892 6.438 205 HG2 GLN 30 1HG GLN 30 -5.910 5.410 4.900 206 HG3 GLN 30 2HG GLN 30 -5.552 5.951 6.539 207 HE21 GLN 30 1HE2 GLN 30 -5.235 6.594 3.216 208 HE22 GLN 30 2HE2 GLN 30 -4.288 8.034 3.343 209 H HIS 31 H HIS 31 -3.605 1.703 3.891 210 HA HIS 31 HA HIS 31 -1.184 0.976 5.349 211 HB2 HIS 31 1HB HIS 31 -2.912 -0.502 5.887 212 HB3 HIS 31 2HB HIS 31 -3.503 -0.568 4.229 213 HD1 HIS 31 HD1 HIS 31 -0.894 -2.016 6.491 214 HD2 HIS 31 HD2 HIS 31 -2.260 -2.454 2.592 215 HE1 HIS 31 HE1 HIS 31 0.185 -4.119 5.633 216 H GLN 32 H GLN 32 -2.556 0.749 2.091 217 HA GLN 32 HA GLN 32 -0.443 -0.626 0.878 218 HB2 GLN 32 1HB GLN 32 -2.340 1.401 -0.318 219 HB3 GLN 32 2HB GLN 32 -1.303 0.325 -1.245 220 HG2 GLN 32 1HG GLN 32 -2.466 -1.606 -0.316 221 HG3 GLN 32 2HG GLN 32 -3.502 -0.532 0.623 222 HE21 GLN 32 1HE2 GLN 32 -4.242 -2.492 -1.379 223 HE22 GLN 32 2HE2 GLN 32 -5.089 -1.633 -2.615 224 H LYS 33 H LYS 33 -0.652 2.599 2.009 225 HA LYS 33 HA LYS 33 1.303 3.763 0.291 226 HB2 LYS 33 1HB LYS 33 1.380 5.543 2.091 227 HB3 LYS 33 2HB LYS 33 -0.195 5.257 1.363 228 HG2 LYS 33 1HG LYS 33 -1.076 4.386 3.270 229 HG3 LYS 33 2HG LYS 33 0.474 3.753 3.830 230 HD2 LYS 33 1HD LYS 33 -0.314 5.614 5.224 231 HD3 LYS 33 2HD LYS 33 1.203 6.002 4.409 232 HE2 LYS 33 1HE LYS 33 0.030 7.924 4.008 233 HE3 LYS 33 2HE LYS 33 -0.421 6.986 2.585 234 HZ1 LYS 33 3HZ LYS 33 -2.156 8.150 4.295 235 HZ2 LYS 33 1HZ LYS 33 -2.141 6.552 4.851 236 HZ3 LYS 33 2HZ LYS 33 -2.538 6.883 3.240 237 H ILE 34 H ILE 34 1.496 1.585 2.870 238 HA ILE 34 HA ILE 34 3.999 2.371 3.972 239 HB ILE 34 HB ILE 34 3.962 0.390 5.213 240 HG12 ILE 34 1HG1 ILE 34 2.149 -0.751 3.078 241 HG13 ILE 34 2HG1 ILE 34 3.818 -1.211 3.397 242 HG21 ILE 34 1HG2 ILE 34 1.453 1.768 4.788 243 HG22 ILE 34 2HG2 ILE 34 1.207 0.114 5.346 244 HG23 ILE 34 3HG2 ILE 34 2.201 1.224 6.289 245 HD11 ILE 34 3HD1 ILE 34 2.355 -1.527 5.799 246 HD12 ILE 34 1HD1 ILE 34 1.443 -2.285 4.495 247 HD13 ILE 34 2HD1 ILE 34 3.113 -2.764 4.796 248 H HIS 35 H HIS 35 3.055 0.572 1.174 249 HA HIS 35 HA HIS 35 5.723 -0.543 0.803 250 HB2 HIS 35 1HB HIS 35 3.359 -0.776 -1.061 251 HB3 HIS 35 2HB HIS 35 4.799 -1.790 -1.020 252 HD1 HIS 35 HD1 HIS 35 4.966 -3.518 0.946 253 HD2 HIS 35 HD2 HIS 35 1.347 -1.492 0.699 254 HE1 HIS 35 HE1 HIS 35 3.373 -4.806 2.405 255 H THR 36 H THR 36 4.699 2.406 0.507 256 HA THR 36 HA THR 36 6.244 2.914 -1.939 257 HB THR 36 HB THR 36 4.700 4.658 -2.649 258 HG1 THR 36 HG1 THR 36 3.660 5.399 -0.898 259 HG21 THR 36 3HG2 THR 36 3.267 2.051 -2.128 260 HG22 THR 36 1HG2 THR 36 4.330 2.387 -3.494 261 HG23 THR 36 2HG2 THR 36 2.807 3.261 -3.326 262 H GLY 37 H GLY 37 7.976 4.017 -1.295 263 HA2 GLY 37 1HA GLY 37 7.880 5.694 1.069 264 HA3 GLY 37 2HA GLY 37 9.301 5.332 0.100 265 H GLU 38 H GLU 38 9.996 7.459 -0.009 266 HA GLU 38 HA GLU 38 8.239 9.528 -0.987 267 HB2 GLU 38 1HB GLU 38 10.231 9.754 0.671 268 HB3 GLU 38 2HB GLU 38 11.221 9.796 -0.781 269 HG2 GLU 38 1HG GLU 38 10.018 11.741 -1.580 270 HG3 GLU 38 2HG GLU 38 8.956 11.682 -0.175 271 H LYS 39 H LYS 39 8.365 7.437 -2.803 272 HA LYS 39 HA LYS 39 9.747 8.728 -5.058 273 HB2 LYS 39 1HB LYS 39 9.988 6.348 -5.985 274 HB3 LYS 39 2HB LYS 39 11.078 6.830 -4.692 275 HG2 LYS 39 1HG LYS 39 10.134 5.418 -3.177 276 HG3 LYS 39 2HG LYS 39 8.543 5.485 -3.938 277 HD2 LYS 39 1HD LYS 39 9.253 4.029 -5.701 278 HD3 LYS 39 2HD LYS 39 10.930 4.103 -5.155 279 HE2 LYS 39 1HE LYS 39 8.718 3.049 -3.414 280 HE3 LYS 39 2HE LYS 39 9.593 2.019 -4.546 281 HZ1 LYS 39 3HZ LYS 39 10.607 3.391 -2.140 282 HZ2 LYS 39 1HZ LYS 39 11.666 2.927 -3.376 283 HZ3 LYS 39 2HZ LYS 39 10.743 1.761 -2.570 284 HA PRO 40 HA PRO 40 5.248 8.360 -6.001 285 HB2 PRO 40 1HB PRO 40 5.097 10.764 -7.254 286 HB3 PRO 40 2HB PRO 40 4.939 10.582 -5.503 287 HG2 PRO 40 1HG PRO 40 7.322 11.409 -7.116 288 HG3 PRO 40 2HG PRO 40 6.708 12.089 -5.597 289 HD2 PRO 40 1HD PRO 40 8.803 10.376 -5.684 290 HD3 PRO 40 2HD PRO 40 7.669 10.429 -4.319 291 H SER 41 H SER 41 8.096 8.220 -7.669 292 HA SER 41 HA SER 41 6.693 7.715 -10.207 293 HB2 SER 41 1HB SER 41 8.080 9.867 -10.161 294 HB3 SER 41 2HB SER 41 9.498 8.822 -10.075 295 HG SER 41 HG SER 41 8.527 7.790 -12.025 296 H GLY 42 H GLY 42 7.173 5.746 -8.314 297 HA2 GLY 42 1HA GLY 42 9.619 4.360 -8.762 298 HA3 GLY 42 2HA GLY 42 8.179 3.701 -8.000 299 HA PRO 43 HA PRO 43 7.665 1.121 -11.518 300 HB2 PRO 43 1HB PRO 43 5.021 0.559 -11.267 301 HB3 PRO 43 2HB PRO 43 6.255 -0.134 -10.208 302 HG2 PRO 43 1HG PRO 43 4.427 2.187 -9.723 303 HG3 PRO 43 2HG PRO 43 4.878 0.870 -8.625 304 HD2 PRO 43 1HD PRO 43 6.005 3.328 -8.489 305 HD3 PRO 43 2HD PRO 43 6.892 1.847 -8.076 306 H SER 44 H SER 44 8.054 2.962 -12.985 307 HA SER 44 HA SER 44 6.403 4.851 -13.928 308 HB2 SER 44 1HB SER 44 8.560 4.572 -14.937 309 HB3 SER 44 2HB SER 44 8.131 2.976 -15.552 310 HG SER 44 HG SER 44 7.022 3.865 -17.141 311 H SER 45 H SER 45 6.280 1.453 -14.976 312 HA SER 45 HA SER 45 3.516 1.933 -15.879 313 HB2 SER 45 1HB SER 45 4.949 1.579 -17.817 314 HB3 SER 45 2HB SER 45 5.582 0.093 -17.109 315 HG SER 45 HG SER 45 3.027 -0.250 -17.089 316 H GLY 46 H GLY 46 2.663 1.257 -13.886 317 HA2 GLY 46 1HA GLY 46 1.740 -1.257 -13.596 318 HA3 GLY 46 2HA GLY 46 3.330 -1.366 -12.854 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -12.432 -32.474 -10.472 2 HA2 GLY 1 1HA GLY 1 -11.236 -31.075 -11.844 3 HA3 GLY 1 2HA GLY 1 -12.786 -30.699 -12.582 4 H SER 2 H SER 2 -10.959 -28.745 -12.566 5 HA SER 2 HA SER 2 -11.617 -27.013 -10.286 6 HB2 SER 2 1HB SER 2 -9.197 -27.410 -10.880 7 HB3 SER 2 2HB SER 2 -9.494 -26.551 -12.391 8 HG SER 2 HG SER 2 -10.251 -24.783 -10.994 9 H SER 3 H SER 3 -12.988 -25.380 -10.532 10 HA SER 3 HA SER 3 -13.474 -24.330 -13.237 11 HB2 SER 3 1HB SER 3 -15.278 -25.944 -12.197 12 HB3 SER 3 2HB SER 3 -15.736 -24.507 -11.283 13 HG SER 3 HG SER 3 -15.441 -24.480 -14.096 14 H GLY 4 H GLY 4 -14.268 -22.147 -13.314 15 HA2 GLY 4 1HA GLY 4 -13.079 -20.504 -11.259 16 HA3 GLY 4 2HA GLY 4 -13.839 -19.940 -12.739 17 H SER 5 H SER 5 -14.356 -20.870 -9.414 18 HA SER 5 HA SER 5 -17.097 -19.803 -9.575 19 HB2 SER 5 1HB SER 5 -15.879 -22.009 -7.986 20 HB3 SER 5 2HB SER 5 -17.158 -21.065 -7.222 21 HG SER 5 HG SER 5 -17.658 -23.032 -8.641 22 H SER 6 H SER 6 -16.477 -17.638 -9.319 23 HA SER 6 HA SER 6 -14.775 -16.679 -7.297 24 HB2 SER 6 1HB SER 6 -15.547 -15.420 -9.354 25 HB3 SER 6 2HB SER 6 -17.078 -15.152 -8.521 26 HG SER 6 HG SER 6 -15.549 -13.425 -8.261 27 H GLY 7 H GLY 7 -15.188 -15.770 -5.281 28 HA2 GLY 7 1HA GLY 7 -17.532 -16.862 -3.943 29 HA3 GLY 7 2HA GLY 7 -16.147 -16.103 -3.171 30 H THR 8 H THR 8 -19.266 -15.609 -4.597 31 HA THR 8 HA THR 8 -19.253 -12.780 -4.646 32 HB THR 8 HB THR 8 -21.611 -14.657 -4.388 33 HG1 THR 8 HG1 THR 8 -21.204 -15.050 -6.419 34 HG21 THR 8 3HG2 THR 8 -22.780 -12.775 -4.067 35 HG22 THR 8 1HG2 THR 8 -22.415 -12.389 -5.748 36 HG23 THR 8 2HG2 THR 8 -21.395 -11.755 -4.456 37 H GLY 9 H GLY 9 -19.511 -11.318 -3.074 38 HA2 GLY 9 1HA GLY 9 -21.093 -11.577 -0.794 39 HA3 GLY 9 2HA GLY 9 -19.470 -12.082 -0.350 40 H GLU 10 H GLU 10 -18.848 -10.432 0.943 41 HA GLU 10 HA GLU 10 -19.302 -7.683 0.150 42 HB2 GLU 10 1HB GLU 10 -19.317 -8.721 2.561 43 HB3 GLU 10 2HB GLU 10 -17.580 -8.469 2.469 44 HG2 GLU 10 1HG GLU 10 -19.448 -6.229 1.840 45 HG3 GLU 10 2HG GLU 10 -19.094 -6.649 3.515 46 H LYS 11 H LYS 11 -17.934 -6.489 -0.990 47 HA LYS 11 HA LYS 11 -15.651 -7.404 -2.216 48 HB2 LYS 11 1HB LYS 11 -16.599 -4.640 -1.529 49 HB3 LYS 11 2HB LYS 11 -15.044 -4.874 -2.317 50 HG2 LYS 11 1HG LYS 11 -17.618 -5.970 -3.416 51 HG3 LYS 11 2HG LYS 11 -16.985 -4.376 -3.834 52 HD2 LYS 11 1HD LYS 11 -14.810 -5.683 -4.408 53 HD3 LYS 11 2HD LYS 11 -15.882 -7.084 -4.476 54 HE2 LYS 11 1HE LYS 11 -17.324 -5.479 -5.988 55 HE3 LYS 11 2HE LYS 11 -15.772 -4.679 -6.231 56 HZ1 LYS 11 3HZ LYS 11 -16.068 -7.594 -6.604 57 HZ2 LYS 11 1HZ LYS 11 -14.867 -6.568 -7.209 58 HZ3 LYS 11 2HZ LYS 11 -16.430 -6.511 -7.851 59 H ARG 12 H ARG 12 -13.767 -8.052 -1.431 60 HA ARG 12 HA ARG 12 -12.829 -6.917 1.115 61 HB2 ARG 12 1HB ARG 12 -11.260 -9.001 0.963 62 HB3 ARG 12 2HB ARG 12 -12.933 -9.200 1.467 63 HG2 ARG 12 1HG ARG 12 -13.566 -10.094 -0.610 64 HG3 ARG 12 2HG ARG 12 -12.078 -9.550 -1.387 65 HD2 ARG 12 1HD ARG 12 -10.814 -11.108 0.080 66 HD3 ARG 12 2HD ARG 12 -12.351 -11.709 0.699 67 HE ARG 12 HE ARG 12 -11.145 -12.316 -1.840 68 HH11 ARG 12 1HH1 ARG 12 -14.121 -12.165 -0.040 69 HH12 ARG 12 2HH1 ARG 12 -14.937 -13.319 -1.041 70 HH21 ARG 12 1HH2 ARG 12 -12.209 -13.837 -3.165 71 HH22 ARG 12 2HH2 ARG 12 -13.848 -14.271 -2.818 72 H TYR 13 H TYR 13 -11.738 -5.111 0.429 73 HA TYR 13 HA TYR 13 -10.060 -4.954 -1.812 74 HB2 TYR 13 1HB TYR 13 -9.586 -3.312 0.657 75 HB3 TYR 13 2HB TYR 13 -9.429 -2.841 -1.031 76 HD1 TYR 13 HD2 TYR 13 -11.953 -3.545 -2.223 77 HD2 TYR 13 HD1 TYR 13 -11.180 -1.967 1.652 78 HE1 TYR 13 HE2 TYR 13 -14.217 -2.585 -2.169 79 HE2 TYR 13 HE1 TYR 13 -13.442 -1.004 1.717 80 HH TYR 13 HH TYR 13 -15.232 -0.351 -0.639 81 H LYS 14 H LYS 14 -8.564 -6.556 -2.001 82 HA LYS 14 HA LYS 14 -6.817 -7.213 0.220 83 HB2 LYS 14 1HB LYS 14 -7.734 -8.931 -1.383 84 HB3 LYS 14 2HB LYS 14 -6.689 -8.240 -2.618 85 HG2 LYS 14 1HG LYS 14 -4.844 -8.670 -0.766 86 HG3 LYS 14 2HG LYS 14 -6.007 -9.896 -0.257 87 HD2 LYS 14 1HD LYS 14 -4.702 -11.075 -1.753 88 HD3 LYS 14 2HD LYS 14 -6.026 -10.530 -2.785 89 HE2 LYS 14 1HE LYS 14 -4.697 -8.748 -3.663 90 HE3 LYS 14 2HE LYS 14 -3.417 -9.053 -2.490 91 HZ1 LYS 14 3HZ LYS 14 -3.584 -11.427 -3.683 92 HZ2 LYS 14 1HZ LYS 14 -2.535 -10.201 -4.190 93 HZ3 LYS 14 2HZ LYS 14 -4.017 -10.424 -4.974 94 H CYS 15 H CYS 15 -4.713 -6.644 0.432 95 HA CYS 15 HA CYS 15 -3.765 -4.429 -1.131 96 HB2 CYS 15 1HB CYS 15 -3.392 -4.756 1.360 97 HB3 CYS 15 2HB CYS 15 -2.206 -5.985 0.933 98 H ASN 16 H ASN 16 -3.409 -5.146 -3.215 99 HA ASN 16 HA ASN 16 -2.203 -7.471 -4.057 100 HB2 ASN 16 1HB ASN 16 -1.335 -5.875 -5.991 101 HB3 ASN 16 2HB ASN 16 -3.044 -6.270 -5.827 102 HD21 ASN 16 1HD2 ASN 16 -0.675 -3.816 -5.749 103 HD22 ASN 16 2HD2 ASN 16 -1.730 -2.489 -5.414 104 H GLU 17 H GLU 17 -0.787 -4.873 -2.363 105 HA GLU 17 HA GLU 17 1.897 -5.192 -3.274 106 HB2 GLU 17 1HB GLU 17 1.051 -4.045 -0.617 107 HB3 GLU 17 2HB GLU 17 2.508 -3.687 -1.532 108 HG2 GLU 17 1HG GLU 17 -0.271 -3.017 -2.465 109 HG3 GLU 17 2HG GLU 17 0.779 -1.902 -1.592 110 H CYS 18 H CYS 18 0.331 -6.058 -0.186 111 HA CYS 18 HA CYS 18 2.440 -8.064 0.230 112 HB2 CYS 18 1HB CYS 18 1.664 -8.033 2.614 113 HB3 CYS 18 2HB CYS 18 2.321 -6.500 2.050 114 H GLY 19 H GLY 19 -1.072 -7.588 0.376 115 HA2 GLY 19 1HA GLY 19 -2.362 -9.433 -0.702 116 HA3 GLY 19 2HA GLY 19 -1.371 -10.527 0.252 117 H LYS 20 H LYS 20 -2.003 -7.813 2.065 118 HA LYS 20 HA LYS 20 -3.668 -9.213 3.883 119 HB2 LYS 20 1HB LYS 20 -2.615 -6.429 3.666 120 HB3 LYS 20 2HB LYS 20 -3.951 -6.729 4.770 121 HG2 LYS 20 1HG LYS 20 -2.466 -8.640 5.675 122 HG3 LYS 20 2HG LYS 20 -1.156 -7.782 4.860 123 HD2 LYS 20 1HD LYS 20 -1.088 -6.866 6.983 124 HD3 LYS 20 2HD LYS 20 -2.092 -5.704 6.113 125 HE2 LYS 20 1HE LYS 20 -3.258 -6.060 8.098 126 HE3 LYS 20 2HE LYS 20 -4.076 -7.112 6.944 127 HZ1 LYS 20 3HZ LYS 20 -2.553 -7.795 9.294 128 HZ2 LYS 20 1HZ LYS 20 -2.164 -8.724 7.935 129 HZ3 LYS 20 2HZ LYS 20 -3.759 -8.670 8.493 130 H VAL 21 H VAL 21 -5.656 -7.702 4.742 131 HA VAL 21 HA VAL 21 -7.310 -6.837 2.508 132 HB VAL 21 HB VAL 21 -9.224 -8.275 3.537 133 HG11 VAL 21 1HG1 VAL 21 -8.194 -8.459 1.253 134 HG12 VAL 21 2HG1 VAL 21 -7.118 -9.690 1.916 135 HG13 VAL 21 3HG1 VAL 21 -8.862 -9.958 1.898 136 HG21 VAL 21 3HG2 VAL 21 -8.188 -9.206 5.432 137 HG22 VAL 21 1HG2 VAL 21 -8.275 -10.524 4.264 138 HG23 VAL 21 2HG2 VAL 21 -6.752 -9.673 4.521 139 H PHE 22 H PHE 22 -9.172 -5.638 3.152 140 HA PHE 22 HA PHE 22 -9.387 -4.961 5.986 141 HB2 PHE 22 1HB PHE 22 -9.176 -2.803 3.886 142 HB3 PHE 22 2HB PHE 22 -9.207 -2.603 5.635 143 HD1 PHE 22 HD2 PHE 22 -7.193 -4.266 2.975 144 HD2 PHE 22 HD1 PHE 22 -7.220 -2.289 6.744 145 HE1 PHE 22 HE2 PHE 22 -4.734 -4.327 3.020 146 HE2 PHE 22 HE1 PHE 22 -4.760 -2.347 6.796 147 HZ PHE 22 HZ PHE 22 -3.514 -3.368 4.933 148 H SER 23 H SER 23 -11.299 -3.425 6.326 149 HA SER 23 HA SER 23 -13.557 -4.543 4.874 150 HB2 SER 23 1HB SER 23 -13.340 -4.196 7.463 151 HB3 SER 23 2HB SER 23 -13.836 -2.544 7.094 152 HG SER 23 HG SER 23 -15.540 -4.175 7.569 153 H ARG 24 H ARG 24 -12.237 -1.337 5.656 154 HA ARG 24 HA ARG 24 -13.892 -0.212 3.496 155 HB2 ARG 24 1HB ARG 24 -12.591 1.299 5.765 156 HB3 ARG 24 2HB ARG 24 -13.765 1.917 4.610 157 HG2 ARG 24 1HG ARG 24 -15.433 0.332 5.534 158 HG3 ARG 24 2HG ARG 24 -14.251 -0.132 6.760 159 HD2 ARG 24 1HD ARG 24 -15.810 1.526 7.632 160 HD3 ARG 24 2HD ARG 24 -14.172 2.174 7.561 161 HE ARG 24 HE ARG 24 -15.180 3.024 5.240 162 HH11 ARG 24 1HH1 ARG 24 -16.478 3.100 8.469 163 HH12 ARG 24 2HH1 ARG 24 -17.397 4.545 8.206 164 HH21 ARG 24 1HH2 ARG 24 -16.386 4.927 4.881 165 HH22 ARG 24 2HH2 ARG 24 -17.345 5.583 6.164 166 H ASN 25 H ASN 25 -12.951 0.888 1.846 167 HA ASN 25 HA ASN 25 -10.287 0.377 1.178 168 HB2 ASN 25 1HB ASN 25 -10.635 1.730 -0.730 169 HB3 ASN 25 2HB ASN 25 -12.213 1.037 -0.368 170 HD21 ASN 25 1HD2 ASN 25 -10.992 3.669 -1.539 171 HD22 ASN 25 2HD2 ASN 25 -12.009 4.882 -0.846 172 H SER 26 H SER 26 -11.761 3.058 2.879 173 HA SER 26 HA SER 26 -9.604 4.865 2.731 174 HB2 SER 26 1HB SER 26 -11.768 4.577 4.828 175 HB3 SER 26 2HB SER 26 -10.669 5.951 4.705 176 HG SER 26 HG SER 26 -11.547 5.956 2.394 177 H GLN 27 H GLN 27 -10.049 1.978 4.514 178 HA GLN 27 HA GLN 27 -8.023 2.666 6.495 179 HB2 GLN 27 1HB GLN 27 -9.966 0.423 6.146 180 HB3 GLN 27 2HB GLN 27 -8.532 0.155 7.128 181 HG2 GLN 27 1HG GLN 27 -9.225 2.292 8.365 182 HG3 GLN 27 2HG GLN 27 -10.789 2.066 7.584 183 HE21 GLN 27 1HE2 GLN 27 -11.534 1.899 9.815 184 HE22 GLN 27 2HE2 GLN 27 -11.455 0.366 10.608 185 H LEU 28 H LEU 28 -8.422 0.780 3.592 186 HA LEU 28 HA LEU 28 -5.981 -0.700 3.899 187 HB2 LEU 28 1HB LEU 28 -7.417 -1.867 2.570 188 HB3 LEU 28 2HB LEU 28 -8.080 -0.414 1.825 189 HG LEU 28 HG LEU 28 -5.853 -0.250 0.579 190 HD11 LEU 28 1HD1 LEU 28 -4.671 -2.373 0.275 191 HD12 LEU 28 2HD1 LEU 28 -5.693 -3.115 1.505 192 HD13 LEU 28 3HD1 LEU 28 -4.590 -1.812 1.945 193 HD21 LEU 28 3HD2 LEU 28 -7.225 -2.722 -0.291 194 HD22 LEU 28 1HD2 LEU 28 -6.825 -1.264 -1.198 195 HD23 LEU 28 2HD2 LEU 28 -8.220 -1.275 -0.120 196 H SER 29 H SER 29 -7.022 2.091 1.972 197 HA SER 29 HA SER 29 -4.739 2.521 0.482 198 HB2 SER 29 1HB SER 29 -7.017 3.791 0.509 199 HB3 SER 29 2HB SER 29 -6.221 4.845 1.677 200 HG SER 29 HG SER 29 -4.797 5.480 0.158 201 H GLN 30 H GLN 30 -5.465 3.659 3.763 202 HA GLN 30 HA GLN 30 -3.099 5.137 4.132 203 HB2 GLN 30 1HB GLN 30 -4.862 3.774 6.174 204 HB3 GLN 30 2HB GLN 30 -3.612 4.952 6.551 205 HG2 GLN 30 1HG GLN 30 -4.794 6.691 5.466 206 HG3 GLN 30 2HG GLN 30 -5.930 5.555 4.741 207 HE21 GLN 30 1HE2 GLN 30 -7.590 6.877 5.668 208 HE22 GLN 30 2HE2 GLN 30 -8.024 6.685 7.329 209 H HIS 31 H HIS 31 -3.624 1.794 3.950 210 HA HIS 31 HA HIS 31 -1.253 1.127 5.519 211 HB2 HIS 31 1HB HIS 31 -2.923 -0.427 5.978 212 HB3 HIS 31 2HB HIS 31 -3.492 -0.460 4.312 213 HD1 HIS 31 HD1 HIS 31 -0.715 -1.788 6.489 214 HD2 HIS 31 HD2 HIS 31 -2.347 -2.391 2.717 215 HE1 HIS 31 HE1 HIS 31 0.383 -3.871 5.607 216 H GLN 32 H GLN 32 -2.501 0.625 2.221 217 HA GLN 32 HA GLN 32 -0.310 -0.597 1.085 218 HB2 GLN 32 1HB GLN 32 -2.073 1.471 -0.240 219 HB3 GLN 32 2HB GLN 32 -1.091 0.263 -1.060 220 HG2 GLN 32 1HG GLN 32 -2.453 -1.509 -0.251 221 HG3 GLN 32 2HG GLN 32 -3.323 -0.423 0.832 222 HE21 GLN 32 1HE2 GLN 32 -4.072 -2.199 -1.520 223 HE22 GLN 32 2HE2 GLN 32 -5.040 -1.174 -2.518 224 H LYS 33 H LYS 33 -0.778 2.780 1.871 225 HA LYS 33 HA LYS 33 1.181 4.013 0.384 226 HB2 LYS 33 1HB LYS 33 1.234 5.733 2.063 227 HB3 LYS 33 2HB LYS 33 -0.419 5.147 1.927 228 HG2 LYS 33 1HG LYS 33 0.046 3.683 3.914 229 HG3 LYS 33 2HG LYS 33 1.572 4.552 4.099 230 HD2 LYS 33 1HD LYS 33 -1.103 5.932 3.997 231 HD3 LYS 33 2HD LYS 33 -0.358 5.390 5.502 232 HE2 LYS 33 1HE LYS 33 0.427 7.529 5.449 233 HE3 LYS 33 2HE LYS 33 1.707 6.733 4.535 234 HZ1 LYS 33 3HZ LYS 33 1.226 8.439 3.136 235 HZ2 LYS 33 1HZ LYS 33 -0.397 8.537 3.603 236 HZ3 LYS 33 2HZ LYS 33 0.107 7.314 2.550 237 H ILE 34 H ILE 34 1.542 1.865 3.092 238 HA ILE 34 HA ILE 34 4.176 2.511 3.839 239 HB ILE 34 HB ILE 34 4.219 0.519 5.071 240 HG12 ILE 34 1HG1 ILE 34 2.092 -0.564 3.210 241 HG13 ILE 34 2HG1 ILE 34 3.791 -1.025 3.212 242 HG21 ILE 34 1HG2 ILE 34 1.451 0.362 5.449 243 HG22 ILE 34 2HG2 ILE 34 2.605 1.334 6.360 244 HG23 ILE 34 3HG2 ILE 34 1.775 2.027 4.967 245 HD11 ILE 34 3HD1 ILE 34 2.939 -1.445 5.822 246 HD12 ILE 34 1HD1 ILE 34 1.615 -2.018 4.809 247 HD13 ILE 34 2HD1 ILE 34 3.240 -2.667 4.587 248 H HIS 35 H HIS 35 2.882 0.542 1.259 249 HA HIS 35 HA HIS 35 5.459 -0.593 0.588 250 HB2 HIS 35 1HB HIS 35 2.843 -0.713 -0.928 251 HB3 HIS 35 2HB HIS 35 4.273 -1.691 -1.246 252 HD1 HIS 35 HD1 HIS 35 5.006 -3.183 1.006 253 HD2 HIS 35 HD2 HIS 35 1.044 -1.993 0.620 254 HE1 HIS 35 HE1 HIS 35 3.695 -4.715 2.508 255 H THR 36 H THR 36 3.569 2.160 -0.257 256 HA THR 36 HA THR 36 5.107 2.662 -2.689 257 HB THR 36 HB THR 36 3.604 4.491 -3.120 258 HG1 THR 36 HG1 THR 36 3.311 5.321 -1.048 259 HG21 THR 36 3HG2 THR 36 1.833 2.327 -2.019 260 HG22 THR 36 1HG2 THR 36 2.843 2.060 -3.439 261 HG23 THR 36 2HG2 THR 36 1.603 3.313 -3.463 262 H GLY 37 H GLY 37 7.054 3.542 -2.395 263 HA2 GLY 37 1HA GLY 37 7.545 5.304 -0.127 264 HA3 GLY 37 2HA GLY 37 8.751 4.676 -1.240 265 H GLU 38 H GLU 38 6.775 7.321 -0.425 266 HA GLU 38 HA GLU 38 7.557 8.702 -2.909 267 HB2 GLU 38 1HB GLU 38 5.077 8.363 -2.528 268 HB3 GLU 38 2HB GLU 38 5.222 9.435 -1.143 269 HG2 GLU 38 1HG GLU 38 6.026 11.218 -2.628 270 HG3 GLU 38 2HG GLU 38 5.816 10.141 -4.007 271 H LYS 39 H LYS 39 9.592 9.139 -1.790 272 HA LYS 39 HA LYS 39 9.351 11.511 -0.070 273 HB2 LYS 39 1HB LYS 39 11.090 9.091 0.349 274 HB3 LYS 39 2HB LYS 39 11.500 10.650 1.053 275 HG2 LYS 39 1HG LYS 39 8.811 9.412 1.499 276 HG3 LYS 39 2HG LYS 39 10.205 8.963 2.484 277 HD2 LYS 39 1HD LYS 39 9.483 11.844 2.093 278 HD3 LYS 39 2HD LYS 39 8.640 10.864 3.296 279 HE2 LYS 39 1HE LYS 39 10.888 10.260 4.233 280 HE3 LYS 39 2HE LYS 39 11.591 11.457 3.145 281 HZ1 LYS 39 3HZ LYS 39 9.853 13.011 4.250 282 HZ2 LYS 39 1HZ LYS 39 11.301 12.666 5.055 283 HZ3 LYS 39 2HZ LYS 39 9.877 11.867 5.496 284 HA PRO 40 HA PRO 40 12.191 13.437 -2.809 285 HB2 PRO 40 1HB PRO 40 13.503 15.107 -1.117 286 HB3 PRO 40 2HB PRO 40 11.832 15.375 -1.628 287 HG2 PRO 40 1HG PRO 40 12.867 14.175 0.912 288 HG3 PRO 40 2HG PRO 40 11.549 15.339 0.680 289 HD2 PRO 40 1HD PRO 40 11.107 12.697 1.074 290 HD3 PRO 40 2HD PRO 40 10.044 13.704 0.070 291 H SER 41 H SER 41 14.404 13.583 -3.407 292 HA SER 41 HA SER 41 15.992 11.451 -3.191 293 HB2 SER 41 1HB SER 41 16.629 13.276 -4.625 294 HB3 SER 41 2HB SER 41 16.899 14.336 -3.242 295 HG SER 41 HG SER 41 18.331 11.933 -3.413 296 H GLY 42 H GLY 42 16.301 14.234 -0.977 297 HA2 GLY 42 1HA GLY 42 16.825 12.500 1.256 298 HA3 GLY 42 2HA GLY 42 18.263 13.342 0.698 299 HA PRO 43 HA PRO 43 15.301 16.019 3.404 300 HB2 PRO 43 1HB PRO 43 16.146 15.401 5.909 301 HB3 PRO 43 2HB PRO 43 14.801 14.572 5.117 302 HG2 PRO 43 1HG PRO 43 17.654 13.711 5.398 303 HG3 PRO 43 2HG PRO 43 16.173 12.756 5.593 304 HD2 PRO 43 1HD PRO 43 17.672 12.676 3.340 305 HD3 PRO 43 2HD PRO 43 15.909 12.470 3.321 306 H SER 44 H SER 44 18.619 15.044 4.275 307 HA SER 44 HA SER 44 19.625 17.216 5.488 308 HB2 SER 44 1HB SER 44 20.813 15.383 3.445 309 HB3 SER 44 2HB SER 44 21.746 16.785 3.969 310 HG SER 44 HG SER 44 21.696 14.543 5.175 311 H SER 45 H SER 45 20.368 19.251 4.994 312 HA SER 45 HA SER 45 19.634 20.266 2.326 313 HB2 SER 45 1HB SER 45 18.216 21.174 4.128 314 HB3 SER 45 2HB SER 45 19.655 21.770 4.955 315 HG SER 45 HG SER 45 18.308 23.147 3.331 316 H GLY 46 H GLY 46 21.896 20.670 5.036 317 HA2 GLY 46 1HA GLY 46 23.664 22.378 3.568 318 HA3 GLY 46 2HA GLY 46 23.998 21.618 5.116 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -21.232 -18.825 -24.796 2 HA2 GLY 1 1HA GLY 1 -23.286 -17.269 -24.868 3 HA3 GLY 1 2HA GLY 1 -24.065 -18.601 -24.028 4 H SER 2 H SER 2 -24.492 -17.114 -22.301 5 HA SER 2 HA SER 2 -22.287 -15.965 -20.848 6 HB2 SER 2 1HB SER 2 -24.777 -15.127 -21.069 7 HB3 SER 2 2HB SER 2 -25.038 -16.191 -19.687 8 HG SER 2 HG SER 2 -22.858 -14.466 -19.566 9 H SER 3 H SER 3 -21.967 -16.383 -18.522 10 HA SER 3 HA SER 3 -22.042 -19.267 -18.014 11 HB2 SER 3 1HB SER 3 -20.465 -17.098 -16.606 12 HB3 SER 3 2HB SER 3 -20.312 -18.833 -16.332 13 HG SER 3 HG SER 3 -19.323 -17.271 -18.373 14 H GLY 4 H GLY 4 -22.674 -16.190 -16.333 15 HA2 GLY 4 1HA GLY 4 -25.070 -16.560 -15.249 16 HA3 GLY 4 2HA GLY 4 -24.103 -17.612 -14.226 17 H SER 5 H SER 5 -25.217 -15.891 -12.745 18 HA SER 5 HA SER 5 -23.560 -13.481 -12.553 19 HB2 SER 5 1HB SER 5 -26.030 -13.209 -12.530 20 HB3 SER 5 2HB SER 5 -26.100 -14.176 -11.057 21 HG SER 5 HG SER 5 -24.945 -11.625 -11.436 22 H SER 6 H SER 6 -22.286 -13.038 -10.813 23 HA SER 6 HA SER 6 -22.180 -15.051 -8.667 24 HB2 SER 6 1HB SER 6 -19.838 -13.800 -10.120 25 HB3 SER 6 2HB SER 6 -19.694 -14.764 -8.650 26 HG SER 6 HG SER 6 -20.996 -15.755 -10.951 27 H GLY 7 H GLY 7 -23.169 -13.842 -7.109 28 HA2 GLY 7 1HA GLY 7 -22.604 -11.071 -6.689 29 HA3 GLY 7 2HA GLY 7 -23.524 -12.118 -5.620 30 H THR 8 H THR 8 -21.782 -10.183 -4.654 31 HA THR 8 HA THR 8 -19.838 -11.885 -3.276 32 HB THR 8 HB THR 8 -19.129 -9.194 -4.463 33 HG1 THR 8 HG1 THR 8 -17.511 -10.819 -5.476 34 HG21 THR 8 3HG2 THR 8 -18.076 -9.746 -2.253 35 HG22 THR 8 1HG2 THR 8 -16.932 -9.530 -3.577 36 HG23 THR 8 2HG2 THR 8 -17.344 -11.153 -3.023 37 H GLY 9 H GLY 9 -19.794 -11.545 -1.136 38 HA2 GLY 9 1HA GLY 9 -21.647 -9.787 0.085 39 HA3 GLY 9 2HA GLY 9 -20.395 -10.700 0.914 40 H GLU 10 H GLU 10 -19.335 -9.319 2.179 41 HA GLU 10 HA GLU 10 -19.117 -6.570 1.823 42 HB2 GLU 10 1HB GLU 10 -17.503 -6.588 3.578 43 HB3 GLU 10 2HB GLU 10 -18.666 -7.856 3.937 44 HG2 GLU 10 1HG GLU 10 -17.020 -9.448 2.819 45 HG3 GLU 10 2HG GLU 10 -15.856 -8.130 2.934 46 H LYS 11 H LYS 11 -17.499 -5.222 1.043 47 HA LYS 11 HA LYS 11 -15.890 -6.383 -1.087 48 HB2 LYS 11 1HB LYS 11 -17.332 -4.258 -1.287 49 HB3 LYS 11 2HB LYS 11 -16.046 -3.459 -0.391 50 HG2 LYS 11 1HG LYS 11 -14.501 -3.752 -2.111 51 HG3 LYS 11 2HG LYS 11 -15.467 -5.009 -2.888 52 HD2 LYS 11 1HD LYS 11 -17.230 -3.059 -3.085 53 HD3 LYS 11 2HD LYS 11 -15.790 -2.047 -2.948 54 HE2 LYS 11 1HE LYS 11 -15.888 -4.322 -4.895 55 HE3 LYS 11 2HE LYS 11 -16.609 -2.764 -5.296 56 HZ1 LYS 11 3HZ LYS 11 -14.005 -2.412 -4.237 57 HZ2 LYS 11 1HZ LYS 11 -14.617 -1.940 -5.742 58 HZ3 LYS 11 2HZ LYS 11 -13.958 -3.485 -5.544 59 H ARG 12 H ARG 12 -14.348 -7.464 0.253 60 HA ARG 12 HA ARG 12 -12.665 -5.898 2.003 61 HB2 ARG 12 1HB ARG 12 -11.495 -7.988 2.429 62 HB3 ARG 12 2HB ARG 12 -13.232 -8.231 2.549 63 HG2 ARG 12 1HG ARG 12 -13.032 -8.974 0.066 64 HG3 ARG 12 2HG ARG 12 -11.327 -9.191 0.466 65 HD2 ARG 12 1HD ARG 12 -11.946 -10.679 2.304 66 HD3 ARG 12 2HD ARG 12 -13.652 -10.450 1.918 67 HE ARG 12 HE ARG 12 -13.417 -11.874 0.118 68 HH11 ARG 12 1HH1 ARG 12 -10.298 -11.123 1.469 69 HH12 ARG 12 2HH1 ARG 12 -9.467 -12.346 0.566 70 HH21 ARG 12 1HH2 ARG 12 -12.334 -13.488 -1.076 71 HH22 ARG 12 2HH2 ARG 12 -10.626 -13.690 -0.882 72 H TYR 13 H TYR 13 -11.419 -4.461 0.932 73 HA TYR 13 HA TYR 13 -10.248 -4.935 -1.606 74 HB2 TYR 13 1HB TYR 13 -9.471 -2.890 0.484 75 HB3 TYR 13 2HB TYR 13 -9.028 -2.851 -1.218 76 HD1 TYR 13 HD1 TYR 13 -11.828 -2.516 1.160 77 HD2 TYR 13 HD2 TYR 13 -10.555 -2.056 -2.874 78 HE1 TYR 13 HE1 TYR 13 -13.877 -1.249 0.664 79 HE2 TYR 13 HE2 TYR 13 -12.600 -0.787 -3.380 80 HH TYR 13 HH TYR 13 -14.281 0.682 -1.852 81 H LYS 14 H LYS 14 -8.722 -6.400 -1.959 82 HA LYS 14 HA LYS 14 -6.874 -7.177 0.132 83 HB2 LYS 14 1HB LYS 14 -7.967 -8.787 -1.496 84 HB3 LYS 14 2HB LYS 14 -6.906 -8.126 -2.733 85 HG2 LYS 14 1HG LYS 14 -5.053 -8.722 -0.938 86 HG3 LYS 14 2HG LYS 14 -6.279 -9.887 -0.433 87 HD2 LYS 14 1HD LYS 14 -6.131 -11.088 -2.372 88 HD3 LYS 14 2HD LYS 14 -5.667 -9.683 -3.334 89 HE2 LYS 14 1HE LYS 14 -3.822 -10.803 -1.256 90 HE3 LYS 14 2HE LYS 14 -3.909 -11.520 -2.864 91 HZ1 LYS 14 3HZ LYS 14 -3.164 -9.549 -3.852 92 HZ2 LYS 14 1HZ LYS 14 -2.167 -9.747 -2.500 93 HZ3 LYS 14 2HZ LYS 14 -3.434 -8.628 -2.459 94 H CYS 15 H CYS 15 -4.810 -6.552 0.328 95 HA CYS 15 HA CYS 15 -3.834 -4.371 -1.215 96 HB2 CYS 15 1HB CYS 15 -3.288 -4.793 1.198 97 HB3 CYS 15 2HB CYS 15 -2.271 -6.133 0.680 98 H ASN 16 H ASN 16 -2.928 -4.461 -3.151 99 HA ASN 16 HA ASN 16 -2.086 -6.958 -4.297 100 HB2 ASN 16 1HB ASN 16 -2.105 -4.115 -5.307 101 HB3 ASN 16 2HB ASN 16 -1.437 -5.444 -6.250 102 HD21 ASN 16 1HD2 ASN 16 -4.178 -3.689 -5.538 103 HD22 ASN 16 2HD2 ASN 16 -5.357 -4.745 -6.230 104 H GLU 17 H GLU 17 -0.622 -5.286 -2.044 105 HA GLU 17 HA GLU 17 2.058 -5.386 -3.248 106 HB2 GLU 17 1HB GLU 17 1.179 -4.053 -0.680 107 HB3 GLU 17 2HB GLU 17 2.781 -3.964 -1.399 108 HG2 GLU 17 1HG GLU 17 0.269 -2.939 -2.699 109 HG3 GLU 17 2HG GLU 17 1.400 -1.950 -1.777 110 H CYS 18 H CYS 18 0.424 -6.135 -0.167 111 HA CYS 18 HA CYS 18 2.457 -8.200 0.327 112 HB2 CYS 18 1HB CYS 18 1.688 -8.116 2.680 113 HB3 CYS 18 2HB CYS 18 2.276 -6.558 2.109 114 H GLY 19 H GLY 19 -1.051 -7.636 0.506 115 HA2 GLY 19 1HA GLY 19 -2.397 -9.417 -0.621 116 HA3 GLY 19 2HA GLY 19 -1.419 -10.560 0.287 117 H LYS 20 H LYS 20 -2.196 -7.707 1.978 118 HA LYS 20 HA LYS 20 -3.821 -9.185 3.839 119 HB2 LYS 20 1HB LYS 20 -2.789 -6.363 3.724 120 HB3 LYS 20 2HB LYS 20 -3.974 -6.843 4.932 121 HG2 LYS 20 1HG LYS 20 -2.263 -8.758 5.419 122 HG3 LYS 20 2HG LYS 20 -1.124 -7.656 4.643 123 HD2 LYS 20 1HD LYS 20 -0.921 -6.947 6.804 124 HD3 LYS 20 2HD LYS 20 -2.256 -5.914 6.286 125 HE2 LYS 20 1HE LYS 20 -3.072 -6.746 8.270 126 HE3 LYS 20 2HE LYS 20 -3.732 -7.903 7.115 127 HZ1 LYS 20 3HZ LYS 20 -2.820 -9.135 8.894 128 HZ2 LYS 20 1HZ LYS 20 -1.375 -8.256 8.877 129 HZ3 LYS 20 2HZ LYS 20 -1.740 -9.308 7.604 130 H VAL 21 H VAL 21 -5.776 -7.724 4.744 131 HA VAL 21 HA VAL 21 -7.380 -6.724 2.510 132 HB VAL 21 HB VAL 21 -9.337 -8.054 3.707 133 HG11 VAL 21 1HG1 VAL 21 -9.298 -9.575 1.931 134 HG12 VAL 21 2HG1 VAL 21 -8.431 -8.168 1.313 135 HG13 VAL 21 3HG1 VAL 21 -7.536 -9.586 1.860 136 HG21 VAL 21 3HG2 VAL 21 -6.855 -9.619 4.359 137 HG22 VAL 21 1HG2 VAL 21 -8.153 -9.117 5.442 138 HG23 VAL 21 2HG2 VAL 21 -8.444 -10.375 4.241 139 H PHE 22 H PHE 22 -9.226 -5.471 3.175 140 HA PHE 22 HA PHE 22 -9.369 -4.717 5.985 141 HB2 PHE 22 1HB PHE 22 -8.978 -2.619 3.846 142 HB3 PHE 22 2HB PHE 22 -9.071 -2.363 5.585 143 HD1 PHE 22 HD2 PHE 22 -7.064 -4.337 3.133 144 HD2 PHE 22 HD1 PHE 22 -7.102 -2.020 6.703 145 HE1 PHE 22 HE2 PHE 22 -4.617 -4.542 3.289 146 HE2 PHE 22 HE1 PHE 22 -4.655 -2.221 6.864 147 HZ PHE 22 HZ PHE 22 -3.410 -3.484 5.156 148 H SER 23 H SER 23 -11.402 -4.322 6.612 149 HA SER 23 HA SER 23 -13.632 -4.990 5.273 150 HB2 SER 23 1HB SER 23 -13.422 -4.184 7.692 151 HB3 SER 23 2HB SER 23 -13.643 -2.554 7.055 152 HG SER 23 HG SER 23 -15.524 -4.214 7.697 153 H ARG 24 H ARG 24 -12.163 -1.760 5.214 154 HA ARG 24 HA ARG 24 -13.667 -1.218 2.744 155 HB2 ARG 24 1HB ARG 24 -13.057 0.891 4.812 156 HB3 ARG 24 2HB ARG 24 -14.101 1.031 3.403 157 HG2 ARG 24 1HG ARG 24 -14.728 -0.950 5.551 158 HG3 ARG 24 2HG ARG 24 -15.153 0.752 5.746 159 HD2 ARG 24 1HD ARG 24 -16.233 0.521 3.418 160 HD3 ARG 24 2HD ARG 24 -16.130 -1.215 3.706 161 HE ARG 24 HE ARG 24 -17.869 -1.033 5.178 162 HH11 ARG 24 1HH1 ARG 24 -16.531 2.130 4.610 163 HH12 ARG 24 2HH1 ARG 24 -17.776 2.957 5.486 164 HH21 ARG 24 1HH2 ARG 24 -19.514 0.044 6.334 165 HH22 ARG 24 2HH2 ARG 24 -19.472 1.770 6.467 166 H ASN 25 H ASN 25 -12.676 0.568 1.448 167 HA ASN 25 HA ASN 25 -9.887 0.046 1.103 168 HB2 ASN 25 1HB ASN 25 -11.567 0.559 -0.738 169 HB3 ASN 25 2HB ASN 25 -11.473 2.242 -0.229 170 HD21 ASN 25 1HD2 ASN 25 -10.740 2.588 -2.426 171 HD22 ASN 25 2HD2 ASN 25 -9.070 2.358 -2.803 172 H SER 26 H SER 26 -11.779 2.844 2.185 173 HA SER 26 HA SER 26 -9.871 4.771 2.431 174 HB2 SER 26 1HB SER 26 -12.275 4.094 4.080 175 HB3 SER 26 2HB SER 26 -11.191 5.367 4.638 176 HG SER 26 HG SER 26 -12.451 5.253 2.096 177 H GLN 27 H GLN 27 -10.140 1.849 4.265 178 HA GLN 27 HA GLN 27 -8.193 2.746 6.243 179 HB2 GLN 27 1HB GLN 27 -9.916 0.302 5.964 180 HB3 GLN 27 2HB GLN 27 -8.562 0.323 7.085 181 HG2 GLN 27 1HG GLN 27 -9.653 2.510 7.956 182 HG3 GLN 27 2HG GLN 27 -11.096 1.895 7.151 183 HE21 GLN 27 1HE2 GLN 27 -12.082 0.031 7.923 184 HE22 GLN 27 2HE2 GLN 27 -11.742 -0.608 9.491 185 H LEU 28 H LEU 28 -8.444 0.702 3.432 186 HA LEU 28 HA LEU 28 -5.987 -0.693 3.823 187 HB2 LEU 28 1HB LEU 28 -7.385 -1.830 2.407 188 HB3 LEU 28 2HB LEU 28 -7.934 -0.364 1.598 189 HG LEU 28 HG LEU 28 -5.579 -0.286 0.574 190 HD11 LEU 28 1HD1 LEU 28 -5.662 -3.178 1.424 191 HD12 LEU 28 2HD1 LEU 28 -4.571 -1.948 2.061 192 HD13 LEU 28 3HD1 LEU 28 -4.458 -2.434 0.370 193 HD21 LEU 28 3HD2 LEU 28 -6.503 -1.127 -1.289 194 HD22 LEU 28 1HD2 LEU 28 -7.955 -1.278 -0.300 195 HD23 LEU 28 2HD2 LEU 28 -6.892 -2.668 -0.522 196 H SER 29 H SER 29 -6.944 2.137 1.913 197 HA SER 29 HA SER 29 -4.610 2.619 0.532 198 HB2 SER 29 1HB SER 29 -6.920 3.911 0.631 199 HB3 SER 29 2HB SER 29 -6.032 4.953 1.742 200 HG SER 29 HG SER 29 -4.739 4.290 -0.621 201 H GLN 30 H GLN 30 -5.428 3.583 3.842 202 HA GLN 30 HA GLN 30 -3.083 5.056 4.350 203 HB2 GLN 30 1HB GLN 30 -5.133 3.726 6.087 204 HB3 GLN 30 2HB GLN 30 -3.683 4.414 6.807 205 HG2 GLN 30 1HG GLN 30 -4.261 6.578 5.704 206 HG3 GLN 30 2HG GLN 30 -5.792 5.852 5.220 207 HE21 GLN 30 1HE2 GLN 30 -7.168 7.047 6.411 208 HE22 GLN 30 2HE2 GLN 30 -7.174 7.098 8.138 209 H HIS 31 H HIS 31 -3.614 1.709 4.037 210 HA HIS 31 HA HIS 31 -1.252 0.993 5.596 211 HB2 HIS 31 1HB HIS 31 -2.918 -0.576 5.999 212 HB3 HIS 31 2HB HIS 31 -3.488 -0.551 4.333 213 HD1 HIS 31 HD1 HIS 31 -0.560 -1.836 6.368 214 HD2 HIS 31 HD2 HIS 31 -2.501 -2.551 2.765 215 HE1 HIS 31 HE1 HIS 31 0.496 -3.921 5.437 216 H GLN 32 H GLN 32 -2.478 0.630 2.273 217 HA GLN 32 HA GLN 32 -0.278 -0.568 1.114 218 HB2 GLN 32 1HB GLN 32 -2.067 1.524 -0.137 219 HB3 GLN 32 2HB GLN 32 -1.043 0.391 -1.009 220 HG2 GLN 32 1HG GLN 32 -2.358 -1.460 -0.316 221 HG3 GLN 32 2HG GLN 32 -3.258 -0.468 0.830 222 HE21 GLN 32 1HE2 GLN 32 -3.575 -2.005 -1.963 223 HE22 GLN 32 2HE2 GLN 32 -4.723 -0.995 -2.767 224 H LYS 33 H LYS 33 -0.778 2.798 1.957 225 HA LYS 33 HA LYS 33 1.167 4.095 0.539 226 HB2 LYS 33 1HB LYS 33 1.239 5.733 2.292 227 HB3 LYS 33 2HB LYS 33 -0.411 5.138 2.173 228 HG2 LYS 33 1HG LYS 33 0.072 3.616 4.084 229 HG3 LYS 33 2HG LYS 33 1.641 4.409 4.249 230 HD2 LYS 33 1HD LYS 33 -0.911 5.988 4.253 231 HD3 LYS 33 2HD LYS 33 -0.303 5.228 5.725 232 HE2 LYS 33 1HE LYS 33 1.471 6.973 4.058 233 HE3 LYS 33 2HE LYS 33 0.341 7.682 5.210 234 HZ1 LYS 33 3HZ LYS 33 2.125 5.532 6.112 235 HZ2 LYS 33 1HZ LYS 33 1.470 6.825 6.987 236 HZ3 LYS 33 2HZ LYS 33 2.759 7.089 5.923 237 H ILE 34 H ILE 34 1.586 1.791 3.097 238 HA ILE 34 HA ILE 34 4.235 2.418 3.835 239 HB ILE 34 HB ILE 34 4.306 0.367 4.966 240 HG12 ILE 34 1HG1 ILE 34 2.090 -0.638 3.168 241 HG13 ILE 34 2HG1 ILE 34 3.793 -1.049 2.995 242 HG21 ILE 34 1HG2 ILE 34 1.568 0.183 5.438 243 HG22 ILE 34 2HG2 ILE 34 2.737 1.161 6.325 244 HG23 ILE 34 3HG2 ILE 34 1.841 1.863 4.978 245 HD11 ILE 34 3HD1 ILE 34 2.087 -2.617 4.255 246 HD12 ILE 34 1HD1 ILE 34 3.769 -2.468 4.764 247 HD13 ILE 34 2HD1 ILE 34 2.508 -1.572 5.612 248 H HIS 35 H HIS 35 2.890 0.382 1.294 249 HA HIS 35 HA HIS 35 5.471 -0.615 0.481 250 HB2 HIS 35 1HB HIS 35 2.833 -0.786 -0.987 251 HB3 HIS 35 2HB HIS 35 4.270 -1.760 -1.285 252 HD1 HIS 35 HD1 HIS 35 4.992 -3.275 0.917 253 HD2 HIS 35 HD2 HIS 35 1.052 -1.986 0.654 254 HE1 HIS 35 HE1 HIS 35 3.690 -4.773 2.460 255 H THR 36 H THR 36 3.348 2.003 -0.376 256 HA THR 36 HA THR 36 4.613 2.595 -2.881 257 HB THR 36 HB THR 36 3.182 4.448 -3.048 258 HG1 THR 36 HG1 THR 36 3.567 5.519 -1.131 259 HG21 THR 36 3HG2 THR 36 2.146 1.983 -2.388 260 HG22 THR 36 1HG2 THR 36 1.236 3.335 -3.060 261 HG23 THR 36 2HG2 THR 36 1.276 3.079 -1.315 262 H GLY 37 H GLY 37 6.701 3.176 -2.865 263 HA2 GLY 37 1HA GLY 37 7.445 5.480 -1.195 264 HA3 GLY 37 2HA GLY 37 8.451 4.039 -1.161 265 H GLU 38 H GLU 38 9.642 3.461 -3.028 266 HA GLU 38 HA GLU 38 10.690 5.675 -4.451 267 HB2 GLU 38 1HB GLU 38 12.091 3.767 -3.961 268 HB3 GLU 38 2HB GLU 38 11.028 2.703 -4.872 269 HG2 GLU 38 1HG GLU 38 11.616 4.399 -6.819 270 HG3 GLU 38 2HG GLU 38 13.055 4.639 -5.829 271 H LYS 39 H LYS 39 9.616 6.722 -5.985 272 HA LYS 39 HA LYS 39 8.304 5.152 -8.092 273 HB2 LYS 39 1HB LYS 39 7.147 7.593 -6.735 274 HB3 LYS 39 2HB LYS 39 6.476 6.831 -8.171 275 HG2 LYS 39 1HG LYS 39 6.855 5.335 -5.597 276 HG3 LYS 39 2HG LYS 39 5.396 6.265 -5.947 277 HD2 LYS 39 1HD LYS 39 5.108 4.928 -8.021 278 HD3 LYS 39 2HD LYS 39 6.491 3.945 -7.536 279 HE2 LYS 39 1HE LYS 39 5.349 3.136 -5.618 280 HE3 LYS 39 2HE LYS 39 4.055 4.318 -5.808 281 HZ1 LYS 39 3HZ LYS 39 4.586 1.895 -7.407 282 HZ2 LYS 39 1HZ LYS 39 3.661 3.163 -8.039 283 HZ3 LYS 39 2HZ LYS 39 3.155 2.365 -6.636 284 HA PRO 40 HA PRO 40 10.614 7.730 -10.810 285 HB2 PRO 40 1HB PRO 40 9.117 7.449 -13.057 286 HB3 PRO 40 2HB PRO 40 10.164 6.169 -12.434 287 HG2 PRO 40 1HG PRO 40 7.206 6.512 -12.130 288 HG3 PRO 40 2HG PRO 40 8.131 5.042 -12.484 289 HD2 PRO 40 1HD PRO 40 7.197 5.615 -10.008 290 HD3 PRO 40 2HD PRO 40 8.708 4.722 -10.276 291 H SER 41 H SER 41 7.614 8.519 -9.606 292 HA SER 41 HA SER 41 7.258 10.908 -11.242 293 HB2 SER 41 1HB SER 41 5.356 9.348 -10.407 294 HB3 SER 41 2HB SER 41 5.556 10.188 -8.869 295 HG SER 41 HG SER 41 5.234 11.623 -11.274 296 H GLY 42 H GLY 42 6.707 12.968 -10.017 297 HA2 GLY 42 1HA GLY 42 8.164 13.253 -7.498 298 HA3 GLY 42 2HA GLY 42 8.741 14.192 -8.866 299 HA PRO 43 HA PRO 43 5.902 17.394 -7.932 300 HB2 PRO 43 1HB PRO 43 5.240 18.303 -10.402 301 HB3 PRO 43 2HB PRO 43 6.825 18.580 -9.670 302 HG2 PRO 43 1HG PRO 43 6.001 16.523 -11.683 303 HG3 PRO 43 2HG PRO 43 7.466 17.520 -11.638 304 HD2 PRO 43 1HD PRO 43 7.437 14.936 -10.831 305 HD3 PRO 43 2HD PRO 43 8.500 16.154 -10.097 306 H SER 44 H SER 44 3.776 17.636 -7.502 307 HA SER 44 HA SER 44 1.725 16.559 -9.201 308 HB2 SER 44 1HB SER 44 0.797 14.963 -7.637 309 HB3 SER 44 2HB SER 44 2.485 14.544 -7.930 310 HG SER 44 HG SER 44 1.275 15.169 -5.613 311 H SER 45 H SER 45 -0.454 17.030 -8.368 312 HA SER 45 HA SER 45 -0.918 19.592 -7.710 313 HB2 SER 45 1HB SER 45 -3.099 18.885 -6.749 314 HB3 SER 45 2HB SER 45 -2.731 18.068 -8.269 315 HG SER 45 HG SER 45 -3.057 17.032 -5.760 316 H GLY 46 H GLY 46 -0.500 16.980 -5.330 317 HA2 GLY 46 1HA GLY 46 -0.876 18.468 -3.009 318 HA3 GLY 46 2HA GLY 46 0.139 17.038 -3.126 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -30.203 -12.215 -18.023 2 HA2 GLY 1 1HA GLY 1 -31.382 -11.032 -19.968 3 HA3 GLY 1 2HA GLY 1 -31.693 -9.784 -18.771 4 H SER 2 H SER 2 -30.278 -8.175 -18.645 5 HA SER 2 HA SER 2 -28.210 -7.745 -20.368 6 HB2 SER 2 1HB SER 2 -27.359 -6.070 -18.753 7 HB3 SER 2 2HB SER 2 -29.111 -5.981 -18.941 8 HG SER 2 HG SER 2 -29.248 -6.319 -16.883 9 H SER 3 H SER 3 -25.942 -7.896 -20.271 10 HA SER 3 HA SER 3 -25.001 -10.155 -18.658 11 HB2 SER 3 1HB SER 3 -23.091 -10.203 -20.250 12 HB3 SER 3 2HB SER 3 -24.649 -10.381 -21.055 13 HG SER 3 HG SER 3 -24.187 -7.815 -20.992 14 H GLY 4 H GLY 4 -23.557 -9.921 -17.065 15 HA2 GLY 4 1HA GLY 4 -21.622 -7.827 -16.982 16 HA3 GLY 4 2HA GLY 4 -22.962 -7.491 -15.896 17 H SER 5 H SER 5 -20.390 -7.792 -14.943 18 HA SER 5 HA SER 5 -20.519 -10.407 -13.589 19 HB2 SER 5 1HB SER 5 -18.069 -10.257 -13.318 20 HB3 SER 5 2HB SER 5 -18.538 -10.233 -15.018 21 HG SER 5 HG SER 5 -17.135 -8.419 -13.656 22 H SER 6 H SER 6 -21.856 -9.563 -11.940 23 HA SER 6 HA SER 6 -20.782 -7.410 -10.291 24 HB2 SER 6 1HB SER 6 -22.916 -7.398 -9.179 25 HB3 SER 6 2HB SER 6 -23.219 -7.502 -10.913 26 HG SER 6 HG SER 6 -23.846 -9.261 -8.936 27 H GLY 7 H GLY 7 -19.972 -7.663 -8.268 28 HA2 GLY 7 1HA GLY 7 -19.189 -10.332 -7.491 29 HA3 GLY 7 2HA GLY 7 -18.746 -8.835 -6.683 30 H THR 8 H THR 8 -19.567 -11.272 -5.424 31 HA THR 8 HA THR 8 -21.866 -10.232 -3.935 32 HB THR 8 HB THR 8 -22.845 -12.517 -3.795 33 HG1 THR 8 HG1 THR 8 -21.310 -13.931 -4.380 34 HG21 THR 8 3HG2 THR 8 -23.928 -11.074 -5.309 35 HG22 THR 8 1HG2 THR 8 -23.655 -12.560 -6.217 36 HG23 THR 8 2HG2 THR 8 -22.605 -11.165 -6.472 37 H GLY 9 H GLY 9 -21.896 -10.754 -1.758 38 HA2 GLY 9 1HA GLY 9 -21.118 -12.225 0.046 39 HA3 GLY 9 2HA GLY 9 -19.568 -12.289 -0.780 40 H GLU 10 H GLU 10 -18.060 -10.743 -0.386 41 HA GLU 10 HA GLU 10 -18.857 -8.447 1.266 42 HB2 GLU 10 1HB GLU 10 -17.821 -10.387 2.590 43 HB3 GLU 10 2HB GLU 10 -16.315 -9.976 1.782 44 HG2 GLU 10 1HG GLU 10 -16.368 -8.945 3.945 45 HG3 GLU 10 2HG GLU 10 -16.473 -7.698 2.704 46 H LYS 11 H LYS 11 -17.377 -6.650 1.193 47 HA LYS 11 HA LYS 11 -15.938 -6.531 -1.364 48 HB2 LYS 11 1HB LYS 11 -17.831 -4.887 -0.704 49 HB3 LYS 11 2HB LYS 11 -16.619 -4.147 0.333 50 HG2 LYS 11 1HG LYS 11 -15.304 -3.482 -1.473 51 HG3 LYS 11 2HG LYS 11 -16.102 -4.599 -2.583 52 HD2 LYS 11 1HD LYS 11 -17.727 -2.472 -1.271 53 HD3 LYS 11 2HD LYS 11 -16.660 -2.024 -2.604 54 HE2 LYS 11 1HE LYS 11 -17.735 -3.755 -3.998 55 HE3 LYS 11 2HE LYS 11 -18.838 -4.112 -2.669 56 HZ1 LYS 11 3HZ LYS 11 -20.057 -2.296 -3.086 57 HZ2 LYS 11 1HZ LYS 11 -19.350 -2.357 -4.622 58 HZ3 LYS 11 2HZ LYS 11 -18.716 -1.327 -3.440 59 H ARG 12 H ARG 12 -14.531 -7.886 0.479 60 HA ARG 12 HA ARG 12 -12.847 -6.235 2.085 61 HB2 ARG 12 1HB ARG 12 -12.460 -9.088 1.158 62 HB3 ARG 12 2HB ARG 12 -11.520 -8.286 2.410 63 HG2 ARG 12 1HG ARG 12 -13.383 -8.172 3.864 64 HG3 ARG 12 2HG ARG 12 -14.498 -8.643 2.580 65 HD2 ARG 12 1HD ARG 12 -12.985 -10.784 2.486 66 HD3 ARG 12 2HD ARG 12 -12.568 -10.305 4.131 67 HE ARG 12 HE ARG 12 -15.042 -11.437 3.238 68 HH11 ARG 12 1HH1 ARG 12 -13.563 -9.379 5.625 69 HH12 ARG 12 2HH1 ARG 12 -14.791 -9.656 6.815 70 HH21 ARG 12 1HH2 ARG 12 -16.665 -11.811 4.797 71 HH22 ARG 12 2HH2 ARG 12 -16.555 -11.041 6.343 72 H TYR 13 H TYR 13 -11.483 -4.825 1.203 73 HA TYR 13 HA TYR 13 -10.379 -5.177 -1.419 74 HB2 TYR 13 1HB TYR 13 -9.546 -3.138 0.647 75 HB3 TYR 13 2HB TYR 13 -9.357 -3.034 -1.100 76 HD1 TYR 13 HD2 TYR 13 -11.339 -2.644 -2.536 77 HD2 TYR 13 HD1 TYR 13 -11.600 -2.538 1.709 78 HE1 TYR 13 HE2 TYR 13 -13.494 -1.471 -2.704 79 HE2 TYR 13 HE1 TYR 13 -13.757 -1.366 1.553 80 HH TYR 13 HH TYR 13 -15.126 -0.209 0.137 81 H LYS 14 H LYS 14 -8.756 -6.510 -1.829 82 HA LYS 14 HA LYS 14 -6.889 -7.267 0.260 83 HB2 LYS 14 1HB LYS 14 -7.906 -8.891 -1.403 84 HB3 LYS 14 2HB LYS 14 -6.875 -8.157 -2.624 85 HG2 LYS 14 1HG LYS 14 -4.994 -8.705 -0.852 86 HG3 LYS 14 2HG LYS 14 -6.166 -9.925 -0.350 87 HD2 LYS 14 1HD LYS 14 -5.027 -11.119 -1.930 88 HD3 LYS 14 2HD LYS 14 -6.260 -10.382 -2.956 89 HE2 LYS 14 1HE LYS 14 -4.583 -8.497 -3.324 90 HE3 LYS 14 2HE LYS 14 -3.386 -9.574 -2.608 91 HZ1 LYS 14 3HZ LYS 14 -3.163 -10.556 -4.562 92 HZ2 LYS 14 1HZ LYS 14 -4.326 -9.534 -5.244 93 HZ3 LYS 14 2HZ LYS 14 -4.793 -11.005 -4.553 94 H CYS 15 H CYS 15 -4.758 -6.739 0.358 95 HA CYS 15 HA CYS 15 -3.906 -4.417 -1.097 96 HB2 CYS 15 1HB CYS 15 -3.335 -4.900 1.310 97 HB3 CYS 15 2HB CYS 15 -2.247 -6.159 0.733 98 H ASN 16 H ASN 16 -3.062 -4.460 -3.063 99 HA ASN 16 HA ASN 16 -2.160 -6.880 -4.286 100 HB2 ASN 16 1HB ASN 16 -1.747 -4.079 -5.338 101 HB3 ASN 16 2HB ASN 16 -1.838 -5.577 -6.261 102 HD21 ASN 16 1HD2 ASN 16 -3.859 -6.599 -6.507 103 HD22 ASN 16 2HD2 ASN 16 -5.333 -5.716 -6.324 104 H GLU 17 H GLU 17 -0.703 -4.892 -2.105 105 HA GLU 17 HA GLU 17 1.969 -4.993 -3.244 106 HB2 GLU 17 1HB GLU 17 1.091 -4.019 -0.520 107 HB3 GLU 17 2HB GLU 17 2.657 -3.750 -1.273 108 HG2 GLU 17 1HG GLU 17 0.013 -2.674 -2.227 109 HG3 GLU 17 2HG GLU 17 1.283 -1.764 -1.411 110 H CYS 18 H CYS 18 0.374 -6.178 -0.283 111 HA CYS 18 HA CYS 18 2.426 -8.288 -0.138 112 HB2 CYS 18 1HB CYS 18 1.858 -8.388 2.305 113 HB3 CYS 18 2HB CYS 18 2.596 -6.873 1.793 114 H GLY 19 H GLY 19 -1.004 -7.586 0.490 115 HA2 GLY 19 1HA GLY 19 -2.433 -9.349 -0.714 116 HA3 GLY 19 2HA GLY 19 -1.557 -10.474 0.313 117 H LYS 20 H LYS 20 -1.824 -7.818 2.154 118 HA LYS 20 HA LYS 20 -3.547 -8.857 4.027 119 HB2 LYS 20 1HB LYS 20 -2.867 -5.990 3.384 120 HB3 LYS 20 2HB LYS 20 -3.854 -6.438 4.769 121 HG2 LYS 20 1HG LYS 20 -1.204 -7.744 4.422 122 HG3 LYS 20 2HG LYS 20 -1.269 -6.078 5.002 123 HD2 LYS 20 1HD LYS 20 -2.947 -8.229 6.252 124 HD3 LYS 20 2HD LYS 20 -1.269 -7.978 6.739 125 HE2 LYS 20 1HE LYS 20 -1.999 -5.494 6.993 126 HE3 LYS 20 2HE LYS 20 -3.628 -6.165 7.049 127 HZ1 LYS 20 3HZ LYS 20 -2.909 -6.028 9.263 128 HZ2 LYS 20 1HZ LYS 20 -1.385 -6.674 8.911 129 HZ3 LYS 20 2HZ LYS 20 -2.755 -7.664 8.859 130 H VAL 21 H VAL 21 -5.612 -7.454 4.726 131 HA VAL 21 HA VAL 21 -7.325 -6.860 2.452 132 HB VAL 21 HB VAL 21 -9.119 -8.364 3.693 133 HG11 VAL 21 1HG1 VAL 21 -7.148 -9.796 1.953 134 HG12 VAL 21 2HG1 VAL 21 -8.910 -9.902 1.967 135 HG13 VAL 21 3HG1 VAL 21 -8.117 -8.468 1.313 136 HG21 VAL 21 3HG2 VAL 21 -8.004 -10.520 4.374 137 HG22 VAL 21 1HG2 VAL 21 -6.481 -9.630 4.396 138 HG23 VAL 21 2HG2 VAL 21 -7.788 -9.168 5.487 139 H PHE 22 H PHE 22 -9.076 -5.554 2.955 140 HA PHE 22 HA PHE 22 -9.557 -4.869 5.748 141 HB2 PHE 22 1HB PHE 22 -9.041 -2.673 3.749 142 HB3 PHE 22 2HB PHE 22 -9.167 -2.545 5.500 143 HD1 PHE 22 HD2 PHE 22 -7.099 -4.265 2.915 144 HD2 PHE 22 HD1 PHE 22 -7.228 -2.340 6.709 145 HE1 PHE 22 HE2 PHE 22 -4.655 -4.473 3.100 146 HE2 PHE 22 HE1 PHE 22 -4.784 -2.544 6.900 147 HZ PHE 22 HZ PHE 22 -3.494 -3.613 5.095 148 H SER 23 H SER 23 -11.631 -4.293 6.162 149 HA SER 23 HA SER 23 -13.569 -4.742 4.100 150 HB2 SER 23 1HB SER 23 -13.812 -3.919 6.997 151 HB3 SER 23 2HB SER 23 -15.208 -4.147 5.943 152 HG SER 23 HG SER 23 -14.419 -6.309 5.590 153 H ARG 24 H ARG 24 -11.897 -2.016 5.270 154 HA ARG 24 HA ARG 24 -13.799 -0.228 3.902 155 HB2 ARG 24 1HB ARG 24 -12.201 0.151 6.409 156 HB3 ARG 24 2HB ARG 24 -12.641 1.546 5.433 157 HG2 ARG 24 1HG ARG 24 -14.725 -0.416 6.296 158 HG3 ARG 24 2HG ARG 24 -14.161 0.844 7.395 159 HD2 ARG 24 1HD ARG 24 -16.015 1.803 6.357 160 HD3 ARG 24 2HD ARG 24 -14.645 2.465 5.466 161 HE ARG 24 HE ARG 24 -15.732 0.074 4.300 162 HH11 ARG 24 1HH1 ARG 24 -15.995 3.541 4.488 163 HH12 ARG 24 2HH1 ARG 24 -16.769 3.696 2.945 164 HH21 ARG 24 1HH2 ARG 24 -16.751 0.266 2.268 165 HH22 ARG 24 2HH2 ARG 24 -17.200 1.833 1.684 166 H ASN 25 H ASN 25 -13.021 0.509 2.048 167 HA ASN 25 HA ASN 25 -10.441 0.168 1.104 168 HB2 ASN 25 1HB ASN 25 -12.345 0.669 -0.356 169 HB3 ASN 25 2HB ASN 25 -12.440 2.296 0.309 170 HD21 ASN 25 1HD2 ASN 25 -12.069 3.354 -1.587 171 HD22 ASN 25 2HD2 ASN 25 -10.556 3.310 -2.421 172 H SER 26 H SER 26 -11.852 2.911 2.818 173 HA SER 26 HA SER 26 -9.699 4.692 2.523 174 HB2 SER 26 1HB SER 26 -10.675 5.900 4.425 175 HB3 SER 26 2HB SER 26 -11.929 5.399 3.291 176 HG SER 26 HG SER 26 -11.353 3.605 5.317 177 H GLN 27 H GLN 27 -9.981 1.829 4.326 178 HA GLN 27 HA GLN 27 -7.915 2.587 6.242 179 HB2 GLN 27 1HB GLN 27 -9.574 0.083 5.932 180 HB3 GLN 27 2HB GLN 27 -8.310 0.270 7.141 181 HG2 GLN 27 1HG GLN 27 -10.804 1.938 6.904 182 HG3 GLN 27 2HG GLN 27 -10.495 0.680 8.100 183 HE21 GLN 27 1HE2 GLN 27 -9.673 1.287 9.973 184 HE22 GLN 27 2HE2 GLN 27 -8.906 2.800 10.300 185 H LEU 28 H LEU 28 -8.399 0.562 3.423 186 HA LEU 28 HA LEU 28 -5.916 -0.827 3.625 187 HB2 LEU 28 1HB LEU 28 -7.380 -1.996 2.324 188 HB3 LEU 28 2HB LEU 28 -8.063 -0.543 1.598 189 HG LEU 28 HG LEU 28 -5.864 -0.363 0.308 190 HD11 LEU 28 1HD1 LEU 28 -4.478 -1.858 1.522 191 HD12 LEU 28 2HD1 LEU 28 -4.776 -2.596 -0.051 192 HD13 LEU 28 3HD1 LEU 28 -5.647 -3.170 1.371 193 HD21 LEU 28 3HD2 LEU 28 -7.144 -2.836 -0.615 194 HD22 LEU 28 1HD2 LEU 28 -6.934 -1.288 -1.434 195 HD23 LEU 28 2HD2 LEU 28 -8.256 -1.506 -0.288 196 H SER 29 H SER 29 -7.033 1.968 1.746 197 HA SER 29 HA SER 29 -4.764 2.426 0.224 198 HB2 SER 29 1HB SER 29 -6.978 4.139 1.245 199 HB3 SER 29 2HB SER 29 -5.557 4.950 0.586 200 HG SER 29 HG SER 29 -5.994 3.203 -1.184 201 H GLN 30 H GLN 30 -5.478 3.437 3.535 202 HA GLN 30 HA GLN 30 -3.172 5.036 3.884 203 HB2 GLN 30 1HB GLN 30 -4.959 3.629 5.869 204 HB3 GLN 30 2HB GLN 30 -3.650 4.706 6.339 205 HG2 GLN 30 1HG GLN 30 -4.748 6.506 5.017 206 HG3 GLN 30 2HG GLN 30 -6.107 5.414 4.757 207 HE21 GLN 30 1HE2 GLN 30 -5.501 8.011 6.346 208 HE22 GLN 30 2HE2 GLN 30 -6.270 7.715 7.864 209 H HIS 31 H HIS 31 -3.573 1.684 3.656 210 HA HIS 31 HA HIS 31 -1.190 1.069 5.224 211 HB2 HIS 31 1HB HIS 31 -2.865 -0.531 5.597 212 HB3 HIS 31 2HB HIS 31 -3.307 -0.600 3.894 213 HD1 HIS 31 HD1 HIS 31 -0.321 -1.512 6.072 214 HD2 HIS 31 HD2 HIS 31 -2.264 -2.740 2.611 215 HE1 HIS 31 HE1 HIS 31 0.865 -3.605 5.342 216 H GLN 32 H GLN 32 -2.375 0.680 1.892 217 HA GLN 32 HA GLN 32 -0.235 -0.490 0.682 218 HB2 GLN 32 1HB GLN 32 -2.074 1.679 -0.302 219 HB3 GLN 32 2HB GLN 32 -0.837 0.979 -1.338 220 HG2 GLN 32 1HG GLN 32 -1.830 -1.227 -1.047 221 HG3 GLN 32 2HG GLN 32 -3.063 -0.535 0.007 222 HE21 GLN 32 1HE2 GLN 32 -4.753 -1.154 -1.307 223 HE22 GLN 32 2HE2 GLN 32 -5.068 -0.414 -2.836 224 H LYS 33 H LYS 33 -0.560 2.913 1.568 225 HA LYS 33 HA LYS 33 1.679 3.961 0.322 226 HB2 LYS 33 1HB LYS 33 1.592 5.748 1.924 227 HB3 LYS 33 2HB LYS 33 -0.058 5.263 1.557 228 HG2 LYS 33 1HG LYS 33 0.007 3.860 3.645 229 HG3 LYS 33 2HG LYS 33 1.536 4.654 4.031 230 HD2 LYS 33 1HD LYS 33 -1.002 6.171 3.461 231 HD3 LYS 33 2HD LYS 33 -0.536 5.655 5.083 232 HE2 LYS 33 1HE LYS 33 0.294 7.814 4.986 233 HE3 LYS 33 2HE LYS 33 1.702 6.846 4.552 234 HZ1 LYS 33 3HZ LYS 33 1.687 7.605 2.443 235 HZ2 LYS 33 1HZ LYS 33 0.890 8.927 3.136 236 HZ3 LYS 33 2HZ LYS 33 0.001 7.717 2.357 237 H ILE 34 H ILE 34 1.436 2.115 3.303 238 HA ILE 34 HA ILE 34 3.992 2.562 4.331 239 HB ILE 34 HB ILE 34 3.658 0.738 5.738 240 HG12 ILE 34 1HG1 ILE 34 1.743 -0.965 4.966 241 HG13 ILE 34 2HG1 ILE 34 2.290 -0.444 3.376 242 HG21 ILE 34 1HG2 ILE 34 1.838 1.586 6.681 243 HG22 ILE 34 2HG2 ILE 34 1.475 2.423 5.173 244 HG23 ILE 34 3HG2 ILE 34 0.815 0.815 5.469 245 HD11 ILE 34 3HD1 ILE 34 4.651 -0.973 4.587 246 HD12 ILE 34 1HD1 ILE 34 3.596 -2.159 5.355 247 HD13 ILE 34 2HD1 ILE 34 3.749 -2.122 3.598 248 H HIS 35 H HIS 35 2.977 0.748 1.592 249 HA HIS 35 HA HIS 35 5.394 -0.848 1.463 250 HB2 HIS 35 1HB HIS 35 3.001 -0.577 -0.354 251 HB3 HIS 35 2HB HIS 35 4.400 -1.563 -0.768 252 HD1 HIS 35 HD1 HIS 35 4.969 -3.443 1.197 253 HD2 HIS 35 HD2 HIS 35 1.097 -1.953 0.978 254 HE1 HIS 35 HE1 HIS 35 3.537 -5.110 2.419 255 H THR 36 H THR 36 4.055 2.040 0.005 256 HA THR 36 HA THR 36 6.204 2.254 -1.929 257 HB THR 36 HB THR 36 3.737 3.049 -2.223 258 HG1 THR 36 HG1 THR 36 5.052 3.505 -3.890 259 HG21 THR 36 3HG2 THR 36 3.632 4.461 -0.243 260 HG22 THR 36 1HG2 THR 36 3.432 5.437 -1.697 261 HG23 THR 36 2HG2 THR 36 4.975 5.434 -0.843 262 H GLY 37 H GLY 37 5.490 3.350 1.264 263 HA2 GLY 37 1HA GLY 37 6.891 4.405 2.773 264 HA3 GLY 37 2HA GLY 37 8.105 4.521 1.508 265 H GLU 38 H GLU 38 5.564 6.126 3.186 266 HA GLU 38 HA GLU 38 6.108 8.562 1.620 267 HB2 GLU 38 1HB GLU 38 3.801 7.551 1.290 268 HB3 GLU 38 2HB GLU 38 3.481 7.952 2.972 269 HG2 GLU 38 1HG GLU 38 2.558 9.673 1.624 270 HG3 GLU 38 2HG GLU 38 3.981 10.329 2.431 271 H LYS 39 H LYS 39 7.585 7.808 3.874 272 HA LYS 39 HA LYS 39 6.547 9.234 6.167 273 HB2 LYS 39 1HB LYS 39 8.673 8.598 7.238 274 HB3 LYS 39 2HB LYS 39 7.851 7.212 6.532 275 HG2 LYS 39 1HG LYS 39 9.968 6.802 5.821 276 HG3 LYS 39 2HG LYS 39 9.396 7.786 4.472 277 HD2 LYS 39 1HD LYS 39 10.346 9.785 5.698 278 HD3 LYS 39 2HD LYS 39 11.124 8.635 6.788 279 HE2 LYS 39 1HE LYS 39 12.142 7.574 4.732 280 HE3 LYS 39 2HE LYS 39 11.555 8.968 3.827 281 HZ1 LYS 39 3HZ LYS 39 13.946 8.959 4.800 282 HZ2 LYS 39 1HZ LYS 39 13.175 9.402 6.239 283 HZ3 LYS 39 2HZ LYS 39 13.019 10.372 4.863 284 HA PRO 40 HA PRO 40 8.315 13.169 5.334 285 HB2 PRO 40 1HB PRO 40 8.792 14.043 7.859 286 HB3 PRO 40 2HB PRO 40 7.167 13.929 7.174 287 HG2 PRO 40 1HG PRO 40 8.588 12.034 9.006 288 HG3 PRO 40 2HG PRO 40 6.906 12.594 9.060 289 HD2 PRO 40 1HD PRO 40 7.607 10.182 8.050 290 HD3 PRO 40 2HD PRO 40 6.228 11.113 7.430 291 H SER 41 H SER 41 10.273 13.092 4.369 292 HA SER 41 HA SER 41 12.594 12.033 5.709 293 HB2 SER 41 1HB SER 41 12.270 11.748 3.273 294 HB3 SER 41 2HB SER 41 12.388 13.496 3.065 295 HG SER 41 HG SER 41 14.418 11.852 4.178 296 H GLY 42 H GLY 42 14.199 13.128 6.700 297 HA2 GLY 42 1HA GLY 42 14.339 16.037 6.422 298 HA3 GLY 42 2HA GLY 42 14.034 15.394 8.029 299 HA PRO 43 HA PRO 43 18.645 15.738 7.220 300 HB2 PRO 43 1HB PRO 43 19.177 17.417 9.286 301 HB3 PRO 43 2HB PRO 43 18.737 17.989 7.673 302 HG2 PRO 43 1HG PRO 43 17.027 17.701 10.113 303 HG3 PRO 43 2HG PRO 43 17.083 19.026 8.937 304 HD2 PRO 43 1HD PRO 43 15.164 17.116 8.889 305 HD3 PRO 43 2HD PRO 43 15.770 17.899 7.415 306 H SER 44 H SER 44 16.526 14.867 9.761 307 HA SER 44 HA SER 44 18.424 14.031 11.694 308 HB2 SER 44 1HB SER 44 16.614 13.105 12.865 309 HB3 SER 44 2HB SER 44 15.879 14.432 11.966 310 HG SER 44 HG SER 44 14.578 12.900 11.320 311 H SER 45 H SER 45 18.922 11.829 12.306 312 HA SER 45 HA SER 45 20.183 10.305 10.500 313 HB2 SER 45 1HB SER 45 19.965 8.399 11.987 314 HB3 SER 45 2HB SER 45 20.129 9.865 12.954 315 HG SER 45 HG SER 45 17.544 9.092 12.304 316 H GLY 46 H GLY 46 19.761 8.594 9.109 317 HA2 GLY 46 1HA GLY 46 18.313 6.965 8.119 318 HA3 GLY 46 2HA GLY 46 16.936 7.929 8.632 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -15.724 -21.225 -8.847 2 HA2 GLY 1 1HA GLY 1 -16.601 -21.510 -6.038 3 HA3 GLY 1 2HA GLY 1 -15.849 -20.055 -6.677 4 H SER 2 H SER 2 -17.282 -18.473 -6.814 5 HA SER 2 HA SER 2 -20.098 -19.027 -7.125 6 HB2 SER 2 1HB SER 2 -18.584 -16.415 -6.908 7 HB3 SER 2 2HB SER 2 -20.342 -16.553 -6.947 8 HG SER 2 HG SER 2 -19.659 -16.458 -4.813 9 H SER 3 H SER 3 -18.733 -19.934 -9.338 10 HA SER 3 HA SER 3 -18.500 -19.741 -11.613 11 HB2 SER 3 1HB SER 3 -21.211 -18.439 -11.254 12 HB3 SER 3 2HB SER 3 -20.599 -19.156 -12.745 13 HG SER 3 HG SER 3 -20.430 -21.154 -11.515 14 H GLY 4 H GLY 4 -17.146 -17.673 -10.316 15 HA2 GLY 4 1HA GLY 4 -15.936 -15.905 -11.339 16 HA3 GLY 4 2HA GLY 4 -17.316 -15.602 -12.384 17 H SER 5 H SER 5 -19.264 -14.689 -11.343 18 HA SER 5 HA SER 5 -18.455 -12.685 -9.368 19 HB2 SER 5 1HB SER 5 -20.545 -11.518 -10.034 20 HB3 SER 5 2HB SER 5 -19.469 -11.809 -11.401 21 HG SER 5 HG SER 5 -21.674 -12.342 -11.840 22 H SER 6 H SER 6 -19.307 -12.560 -7.367 23 HA SER 6 HA SER 6 -21.128 -14.715 -6.565 24 HB2 SER 6 1HB SER 6 -20.348 -14.341 -4.301 25 HB3 SER 6 2HB SER 6 -18.950 -14.480 -5.367 26 HG SER 6 HG SER 6 -18.694 -12.716 -3.983 27 H GLY 7 H GLY 7 -20.638 -11.218 -6.110 28 HA2 GLY 7 1HA GLY 7 -22.912 -10.063 -6.590 29 HA3 GLY 7 2HA GLY 7 -23.421 -10.996 -5.190 30 H THR 8 H THR 8 -23.828 -8.455 -4.866 31 HA THR 8 HA THR 8 -21.633 -6.902 -3.973 32 HB THR 8 HB THR 8 -24.512 -6.558 -3.126 33 HG1 THR 8 HG1 THR 8 -23.427 -5.165 -5.305 34 HG21 THR 8 3HG2 THR 8 -23.403 -4.990 -1.895 35 HG22 THR 8 1HG2 THR 8 -23.573 -4.079 -3.395 36 HG23 THR 8 2HG2 THR 8 -22.053 -4.895 -3.026 37 H GLY 9 H GLY 9 -20.720 -6.656 -1.995 38 HA2 GLY 9 1HA GLY 9 -21.076 -6.769 0.462 39 HA3 GLY 9 2HA GLY 9 -21.798 -8.346 0.178 40 H GLU 10 H GLU 10 -19.926 -9.325 -1.698 41 HA GLU 10 HA GLU 10 -17.803 -10.058 0.128 42 HB2 GLU 10 1HB GLU 10 -19.128 -11.554 -1.598 43 HB3 GLU 10 2HB GLU 10 -17.887 -10.992 -2.708 44 HG2 GLU 10 1HG GLU 10 -17.097 -12.146 -0.076 45 HG3 GLU 10 2HG GLU 10 -17.569 -13.213 -1.397 46 H LYS 11 H LYS 11 -17.594 -7.395 -0.479 47 HA LYS 11 HA LYS 11 -15.507 -7.167 -2.518 48 HB2 LYS 11 1HB LYS 11 -17.286 -5.215 -1.109 49 HB3 LYS 11 2HB LYS 11 -15.772 -4.650 -1.804 50 HG2 LYS 11 1HG LYS 11 -17.699 -6.238 -3.449 51 HG3 LYS 11 2HG LYS 11 -17.931 -4.506 -3.204 52 HD2 LYS 11 1HD LYS 11 -15.694 -4.081 -4.104 53 HD3 LYS 11 2HD LYS 11 -15.460 -5.814 -4.344 54 HE2 LYS 11 1HE LYS 11 -17.071 -5.910 -6.041 55 HE3 LYS 11 2HE LYS 11 -17.774 -4.360 -5.583 56 HZ1 LYS 11 3HZ LYS 11 -16.362 -3.283 -6.895 57 HZ2 LYS 11 1HZ LYS 11 -15.935 -4.780 -7.557 58 HZ3 LYS 11 2HZ LYS 11 -15.020 -4.122 -6.296 59 H ARG 12 H ARG 12 -13.810 -8.186 -1.401 60 HA ARG 12 HA ARG 12 -12.891 -6.871 1.056 61 HB2 ARG 12 1HB ARG 12 -12.462 -9.575 -0.141 62 HB3 ARG 12 2HB ARG 12 -11.230 -8.917 0.927 63 HG2 ARG 12 1HG ARG 12 -12.935 -8.634 2.680 64 HG3 ARG 12 2HG ARG 12 -14.126 -9.372 1.608 65 HD2 ARG 12 1HD ARG 12 -11.570 -10.730 2.439 66 HD3 ARG 12 2HD ARG 12 -13.092 -10.912 3.310 67 HE ARG 12 HE ARG 12 -13.892 -12.237 1.599 68 HH11 ARG 12 1HH1 ARG 12 -10.876 -10.768 0.670 69 HH12 ARG 12 2HH1 ARG 12 -10.678 -11.757 -0.739 70 HH21 ARG 12 1HH2 ARG 12 -13.643 -13.546 -0.253 71 HH22 ARG 12 2HH2 ARG 12 -12.253 -13.336 -1.263 72 H TYR 13 H TYR 13 -11.760 -5.102 0.442 73 HA TYR 13 HA TYR 13 -10.121 -4.939 -1.850 74 HB2 TYR 13 1HB TYR 13 -9.704 -3.235 0.590 75 HB3 TYR 13 2HB TYR 13 -9.523 -2.797 -1.105 76 HD1 TYR 13 HD2 TYR 13 -12.026 -3.613 -2.308 77 HD2 TYR 13 HD1 TYR 13 -11.325 -1.859 1.504 78 HE1 TYR 13 HE2 TYR 13 -14.308 -2.695 -2.317 79 HE2 TYR 13 HE1 TYR 13 -13.605 -0.937 1.506 80 HH TYR 13 HH TYR 13 -15.573 -0.889 0.460 81 H LYS 14 H LYS 14 -8.633 -6.578 -1.963 82 HA LYS 14 HA LYS 14 -6.859 -7.125 0.256 83 HB2 LYS 14 1HB LYS 14 -7.700 -8.920 -1.255 84 HB3 LYS 14 2HB LYS 14 -6.777 -8.202 -2.569 85 HG2 LYS 14 1HG LYS 14 -4.723 -8.530 -1.136 86 HG3 LYS 14 2HG LYS 14 -5.736 -9.511 -0.074 87 HD2 LYS 14 1HD LYS 14 -4.868 -11.130 -1.453 88 HD3 LYS 14 2HD LYS 14 -6.356 -10.731 -2.315 89 HE2 LYS 14 1HE LYS 14 -5.011 -9.112 -3.682 90 HE3 LYS 14 2HE LYS 14 -3.564 -9.771 -2.921 91 HZ1 LYS 14 3HZ LYS 14 -3.844 -10.891 -4.965 92 HZ2 LYS 14 1HZ LYS 14 -5.485 -11.188 -4.678 93 HZ3 LYS 14 2HZ LYS 14 -4.308 -11.990 -3.766 94 H CYS 15 H CYS 15 -4.725 -6.591 0.419 95 HA CYS 15 HA CYS 15 -3.831 -4.334 -1.117 96 HB2 CYS 15 1HB CYS 15 -3.392 -4.721 1.357 97 HB3 CYS 15 2HB CYS 15 -2.206 -5.926 0.866 98 H ASN 16 H ASN 16 -3.404 -4.877 -3.207 99 HA ASN 16 HA ASN 16 -2.278 -7.204 -4.179 100 HB2 ASN 16 1HB ASN 16 -2.397 -4.390 -5.180 101 HB3 ASN 16 2HB ASN 16 -1.379 -5.547 -6.033 102 HD21 ASN 16 1HD2 ASN 16 -2.326 -7.275 -7.104 103 HD22 ASN 16 2HD2 ASN 16 -4.015 -7.318 -7.466 104 H GLU 17 H GLU 17 -0.805 -4.774 -2.313 105 HA GLU 17 HA GLU 17 1.875 -5.100 -3.251 106 HB2 GLU 17 1HB GLU 17 0.925 -4.021 -0.592 107 HB3 GLU 17 2HB GLU 17 2.516 -3.791 -1.305 108 HG2 GLU 17 1HG GLU 17 0.076 -2.877 -2.761 109 HG3 GLU 17 2HG GLU 17 0.751 -1.905 -1.455 110 H CYS 18 H CYS 18 0.292 -6.077 -0.205 111 HA CYS 18 HA CYS 18 2.304 -8.210 0.051 112 HB2 CYS 18 1HB CYS 18 1.667 -8.215 2.473 113 HB3 CYS 18 2HB CYS 18 2.391 -6.707 1.926 114 H GLY 19 H GLY 19 -1.150 -7.491 0.341 115 HA2 GLY 19 1HA GLY 19 -2.602 -9.221 -0.721 116 HA3 GLY 19 2HA GLY 19 -1.668 -10.398 0.191 117 H LYS 20 H LYS 20 -2.011 -7.709 2.087 118 HA LYS 20 HA LYS 20 -3.658 -8.969 3.974 119 HB2 LYS 20 1HB LYS 20 -2.621 -6.195 3.597 120 HB3 LYS 20 2HB LYS 20 -3.899 -6.456 4.777 121 HG2 LYS 20 1HG LYS 20 -1.531 -8.243 4.872 122 HG3 LYS 20 2HG LYS 20 -1.347 -6.578 5.432 123 HD2 LYS 20 1HD LYS 20 -2.746 -6.880 7.214 124 HD3 LYS 20 2HD LYS 20 -3.700 -8.119 6.395 125 HE2 LYS 20 1HE LYS 20 -2.235 -9.802 6.947 126 HE3 LYS 20 2HE LYS 20 -0.861 -8.706 7.085 127 HZ1 LYS 20 3HZ LYS 20 -3.022 -9.199 9.037 128 HZ2 LYS 20 1HZ LYS 20 -2.089 -7.789 9.103 129 HZ3 LYS 20 2HZ LYS 20 -1.349 -9.301 9.264 130 H VAL 21 H VAL 21 -5.604 -7.415 4.856 131 HA VAL 21 HA VAL 21 -7.357 -6.659 2.654 132 HB VAL 21 HB VAL 21 -9.225 -8.015 3.864 133 HG11 VAL 21 1HG1 VAL 21 -9.024 -9.712 2.266 134 HG12 VAL 21 2HG1 VAL 21 -8.188 -8.336 1.544 135 HG13 VAL 21 3HG1 VAL 21 -7.262 -9.643 2.283 136 HG21 VAL 21 3HG2 VAL 21 -8.100 -8.837 5.759 137 HG22 VAL 21 1HG2 VAL 21 -8.254 -10.223 4.680 138 HG23 VAL 21 2HG2 VAL 21 -6.715 -9.372 4.808 139 H PHE 22 H PHE 22 -9.163 -5.392 3.305 140 HA PHE 22 HA PHE 22 -9.317 -4.588 6.099 141 HB2 PHE 22 1HB PHE 22 -8.946 -2.512 3.937 142 HB3 PHE 22 2HB PHE 22 -9.011 -2.248 5.677 143 HD1 PHE 22 HD2 PHE 22 -7.030 -4.138 3.146 144 HD2 PHE 22 HD1 PHE 22 -7.036 -1.983 6.816 145 HE1 PHE 22 HE2 PHE 22 -4.581 -4.337 3.262 146 HE2 PHE 22 HE1 PHE 22 -4.586 -2.177 6.938 147 HZ PHE 22 HZ PHE 22 -3.355 -3.356 5.160 148 H SER 23 H SER 23 -11.373 -4.390 6.686 149 HA SER 23 HA SER 23 -13.549 -4.961 5.157 150 HB2 SER 23 1HB SER 23 -13.325 -3.170 7.576 151 HB3 SER 23 2HB SER 23 -14.878 -3.588 6.853 152 HG SER 23 HG SER 23 -14.746 -5.497 7.719 153 H ARG 24 H ARG 24 -12.148 -1.753 5.691 154 HA ARG 24 HA ARG 24 -13.839 -0.738 3.501 155 HB2 ARG 24 1HB ARG 24 -12.629 0.893 5.738 156 HB3 ARG 24 2HB ARG 24 -13.769 1.446 4.519 157 HG2 ARG 24 1HG ARG 24 -14.524 -0.780 6.358 158 HG3 ARG 24 2HG ARG 24 -14.596 0.894 6.913 159 HD2 ARG 24 1HD ARG 24 -16.076 1.453 5.054 160 HD3 ARG 24 2HD ARG 24 -15.985 -0.209 4.473 161 HE ARG 24 HE ARG 24 -17.571 0.784 6.660 162 HH11 ARG 24 1HH1 ARG 24 -16.060 -2.014 5.242 163 HH12 ARG 24 2HH1 ARG 24 -17.127 -3.142 6.010 164 HH21 ARG 24 1HH2 ARG 24 -18.982 -0.691 7.678 165 HH22 ARG 24 2HH2 ARG 24 -18.790 -2.388 7.395 166 H ASN 25 H ASN 25 -12.891 0.761 2.038 167 HA ASN 25 HA ASN 25 -10.184 0.138 1.377 168 HB2 ASN 25 1HB ASN 25 -10.511 1.702 -0.498 169 HB3 ASN 25 2HB ASN 25 -11.846 0.560 -0.370 170 HD21 ASN 25 1HD2 ASN 25 -11.396 3.470 -1.323 171 HD22 ASN 25 2HD2 ASN 25 -12.766 4.300 -0.676 172 H SER 26 H SER 26 -11.830 2.908 2.802 173 HA SER 26 HA SER 26 -9.837 4.816 2.695 174 HB2 SER 26 1HB SER 26 -12.142 5.206 3.545 175 HB3 SER 26 2HB SER 26 -11.715 4.345 5.023 176 HG SER 26 HG SER 26 -11.402 6.491 5.431 177 H GLN 27 H GLN 27 -9.968 1.918 4.560 178 HA GLN 27 HA GLN 27 -7.813 2.774 6.329 179 HB2 GLN 27 1HB GLN 27 -9.472 0.257 6.196 180 HB3 GLN 27 2HB GLN 27 -8.118 0.456 7.300 181 HG2 GLN 27 1HG GLN 27 -9.249 2.410 8.288 182 HG3 GLN 27 2HG GLN 27 -10.626 2.115 7.228 183 HE21 GLN 27 1HE2 GLN 27 -9.943 1.933 10.256 184 HE22 GLN 27 2HE2 GLN 27 -10.698 0.451 10.724 185 H LEU 28 H LEU 28 -8.395 0.694 3.581 186 HA LEU 28 HA LEU 28 -5.917 -0.704 3.701 187 HB2 LEU 28 1HB LEU 28 -7.483 -1.833 2.458 188 HB3 LEU 28 2HB LEU 28 -8.087 -0.366 1.691 189 HG LEU 28 HG LEU 28 -5.833 -0.348 0.441 190 HD11 LEU 28 1HD1 LEU 28 -5.376 -2.549 2.081 191 HD12 LEU 28 2HD1 LEU 28 -4.408 -2.031 0.701 192 HD13 LEU 28 3HD1 LEU 28 -5.685 -3.228 0.482 193 HD21 LEU 28 3HD2 LEU 28 -6.945 -1.184 -1.324 194 HD22 LEU 28 1HD2 LEU 28 -8.307 -1.236 -0.206 195 HD23 LEU 28 2HD2 LEU 28 -7.347 -2.687 -0.493 196 H SER 29 H SER 29 -7.056 2.123 1.891 197 HA SER 29 HA SER 29 -4.824 2.556 0.298 198 HB2 SER 29 1HB SER 29 -6.733 3.865 -0.174 199 HB3 SER 29 2HB SER 29 -6.849 4.446 1.488 200 HG SER 29 HG SER 29 -5.206 5.820 1.141 201 H GLN 30 H GLN 30 -5.439 3.532 3.634 202 HA GLN 30 HA GLN 30 -3.112 5.123 3.924 203 HB2 GLN 30 1HB GLN 30 -4.950 3.782 5.896 204 HB3 GLN 30 2HB GLN 30 -3.542 4.698 6.416 205 HG2 GLN 30 1HG GLN 30 -5.671 5.862 4.649 206 HG3 GLN 30 2HG GLN 30 -5.748 5.920 6.409 207 HE21 GLN 30 1HE2 GLN 30 -5.709 8.201 6.279 208 HE22 GLN 30 2HE2 GLN 30 -4.232 9.050 5.994 209 H HIS 31 H HIS 31 -3.579 1.765 3.754 210 HA HIS 31 HA HIS 31 -1.146 1.139 5.239 211 HB2 HIS 31 1HB HIS 31 -2.861 -0.411 5.697 212 HB3 HIS 31 2HB HIS 31 -3.321 -0.535 4.001 213 HD1 HIS 31 HD1 HIS 31 -0.480 -1.529 6.306 214 HD2 HIS 31 HD2 HIS 31 -2.156 -2.601 2.659 215 HE1 HIS 31 HE1 HIS 31 0.717 -3.627 5.607 216 H GLN 32 H GLN 32 -2.471 0.637 1.971 217 HA GLN 32 HA GLN 32 -0.410 -0.571 0.696 218 HB2 GLN 32 1HB GLN 32 -2.199 1.652 -0.268 219 HB3 GLN 32 2HB GLN 32 -1.050 0.851 -1.330 220 HG2 GLN 32 1HG GLN 32 -2.150 -1.307 -0.812 221 HG3 GLN 32 2HG GLN 32 -3.357 -0.423 0.121 222 HE21 GLN 32 1HE2 GLN 32 -4.772 -1.543 -1.455 223 HE22 GLN 32 2HE2 GLN 32 -5.093 -0.750 -2.956 224 H LYS 33 H LYS 33 -0.614 2.861 1.515 225 HA LYS 33 HA LYS 33 1.608 3.820 0.176 226 HB2 LYS 33 1HB LYS 33 1.628 5.639 1.745 227 HB3 LYS 33 2HB LYS 33 -0.047 5.193 1.447 228 HG2 LYS 33 1HG LYS 33 0.044 3.835 3.556 229 HG3 LYS 33 2HG LYS 33 1.617 4.573 3.872 230 HD2 LYS 33 1HD LYS 33 -0.771 6.283 3.289 231 HD3 LYS 33 2HD LYS 33 -0.515 5.629 4.908 232 HE2 LYS 33 1HE LYS 33 1.373 6.886 5.262 233 HE3 LYS 33 2HE LYS 33 1.750 7.000 3.544 234 HZ1 LYS 33 3HZ LYS 33 -0.662 8.292 3.873 235 HZ2 LYS 33 1HZ LYS 33 0.845 9.006 3.590 236 HZ3 LYS 33 2HZ LYS 33 0.290 8.802 5.175 237 H ILE 34 H ILE 34 1.427 2.141 3.274 238 HA ILE 34 HA ILE 34 3.993 2.502 4.219 239 HB ILE 34 HB ILE 34 3.700 0.617 5.575 240 HG12 ILE 34 1HG1 ILE 34 1.704 -1.004 4.819 241 HG13 ILE 34 2HG1 ILE 34 2.218 -0.450 3.229 242 HG21 ILE 34 1HG2 ILE 34 0.852 0.778 5.419 243 HG22 ILE 34 2HG2 ILE 34 1.940 1.479 6.615 244 HG23 ILE 34 3HG2 ILE 34 1.544 2.378 5.151 245 HD11 ILE 34 3HD1 ILE 34 4.398 -1.300 4.988 246 HD12 ILE 34 1HD1 ILE 34 3.261 -2.572 4.541 247 HD13 ILE 34 2HD1 ILE 34 4.099 -1.657 3.287 248 H HIS 35 H HIS 35 2.922 0.634 1.512 249 HA HIS 35 HA HIS 35 5.402 -0.860 1.309 250 HB2 HIS 35 1HB HIS 35 2.973 -0.733 -0.487 251 HB3 HIS 35 2HB HIS 35 4.369 -1.765 -0.782 252 HD1 HIS 35 HD1 HIS 35 4.864 -3.519 1.279 253 HD2 HIS 35 HD2 HIS 35 1.043 -1.910 1.005 254 HE1 HIS 35 HE1 HIS 35 3.394 -5.041 2.638 255 H THR 36 H THR 36 3.868 1.933 -0.131 256 HA THR 36 HA THR 36 5.765 2.189 -2.271 257 HB THR 36 HB THR 36 4.713 4.357 -2.707 258 HG1 THR 36 HG1 THR 36 4.309 4.967 -0.527 259 HG21 THR 36 3HG2 THR 36 3.313 1.833 -2.580 260 HG22 THR 36 1HG2 THR 36 3.248 3.089 -3.815 261 HG23 THR 36 2HG2 THR 36 2.197 3.186 -2.403 262 H GLY 37 H GLY 37 7.838 2.455 -1.609 263 HA2 GLY 37 1HA GLY 37 8.421 4.921 -0.130 264 HA3 GLY 37 2HA GLY 37 9.083 3.410 0.475 265 H GLU 38 H GLU 38 10.841 5.344 -0.092 266 HA GLU 38 HA GLU 38 11.820 5.013 -2.808 267 HB2 GLU 38 1HB GLU 38 12.978 6.591 -0.503 268 HB3 GLU 38 2HB GLU 38 13.524 6.656 -2.172 269 HG2 GLU 38 1HG GLU 38 12.174 8.568 -1.763 270 HG3 GLU 38 2HG GLU 38 11.268 7.480 -2.813 271 H LYS 39 H LYS 39 11.777 2.678 -1.131 272 HA LYS 39 HA LYS 39 14.546 1.887 -1.445 273 HB2 LYS 39 1HB LYS 39 13.165 1.866 1.239 274 HB3 LYS 39 2HB LYS 39 14.596 0.906 0.887 275 HG2 LYS 39 1HG LYS 39 15.592 2.722 1.808 276 HG3 LYS 39 2HG LYS 39 15.539 3.258 0.127 277 HD2 LYS 39 1HD LYS 39 14.651 5.104 1.134 278 HD3 LYS 39 2HD LYS 39 13.170 4.177 0.882 279 HE2 LYS 39 1HE LYS 39 14.715 3.797 3.405 280 HE3 LYS 39 2HE LYS 39 13.716 5.238 3.220 281 HZ1 LYS 39 3HZ LYS 39 12.923 2.460 3.537 282 HZ2 LYS 39 1HZ LYS 39 12.003 3.370 2.448 283 HZ3 LYS 39 2HZ LYS 39 12.151 3.873 4.056 284 HA PRO 40 HA PRO 40 12.581 -1.853 -2.678 285 HB2 PRO 40 1HB PRO 40 14.691 -3.547 -2.452 286 HB3 PRO 40 2HB PRO 40 14.549 -2.358 -3.752 287 HG2 PRO 40 1HG PRO 40 16.126 -2.208 -1.212 288 HG3 PRO 40 2HG PRO 40 16.600 -1.732 -2.853 289 HD2 PRO 40 1HD PRO 40 15.790 0.061 -0.994 290 HD3 PRO 40 2HD PRO 40 15.483 0.280 -2.729 291 H SER 41 H SER 41 11.242 -1.812 -0.688 292 HA SER 41 HA SER 41 12.148 -3.270 1.616 293 HB2 SER 41 1HB SER 41 10.417 -1.381 1.589 294 HB3 SER 41 2HB SER 41 9.280 -2.583 0.980 295 HG SER 41 HG SER 41 9.429 -2.233 3.359 296 H GLY 42 H GLY 42 9.419 -3.862 -0.614 297 HA2 GLY 42 1HA GLY 42 8.599 -5.821 -1.494 298 HA3 GLY 42 2HA GLY 42 10.142 -6.565 -1.102 299 HA PRO 43 HA PRO 43 6.561 -7.600 1.983 300 HB2 PRO 43 1HB PRO 43 5.201 -9.555 0.680 301 HB3 PRO 43 2HB PRO 43 4.747 -7.848 0.595 302 HG2 PRO 43 1HG PRO 43 6.304 -9.495 -1.361 303 HG3 PRO 43 2HG PRO 43 5.023 -8.308 -1.668 304 HD2 PRO 43 1HD PRO 43 7.650 -7.725 -1.966 305 HD3 PRO 43 2HD PRO 43 6.456 -6.516 -1.450 306 H SER 44 H SER 44 7.848 -9.968 -0.360 307 HA SER 44 HA SER 44 8.630 -12.110 0.004 308 HB2 SER 44 1HB SER 44 10.581 -10.530 0.246 309 HB3 SER 44 2HB SER 44 10.366 -10.634 1.993 310 HG SER 44 HG SER 44 11.928 -12.130 1.025 311 H SER 45 H SER 45 6.314 -11.749 1.501 312 HA SER 45 HA SER 45 6.831 -12.679 4.199 313 HB2 SER 45 1HB SER 45 4.984 -11.048 3.597 314 HB3 SER 45 2HB SER 45 4.144 -12.403 2.843 315 HG SER 45 HG SER 45 5.059 -12.689 5.472 316 H GLY 46 H GLY 46 5.119 -13.898 1.320 317 HA2 GLY 46 1HA GLY 46 5.287 -16.129 0.536 318 HA3 GLY 46 2HA GLY 46 5.838 -16.620 2.131 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -23.792 -28.578 -17.812 2 HA2 GLY 1 1HA GLY 1 -22.649 -26.607 -18.206 3 HA3 GLY 1 2HA GLY 1 -24.070 -25.997 -19.042 4 H SER 2 H SER 2 -22.379 -24.553 -17.219 5 HA SER 2 HA SER 2 -24.144 -24.181 -14.901 6 HB2 SER 2 1HB SER 2 -21.255 -23.502 -15.406 7 HB3 SER 2 2HB SER 2 -22.155 -22.741 -14.094 8 HG SER 2 HG SER 2 -21.726 -25.522 -14.474 9 H SER 3 H SER 3 -25.557 -22.579 -14.994 10 HA SER 3 HA SER 3 -24.832 -20.134 -16.465 11 HB2 SER 3 1HB SER 3 -27.588 -21.385 -16.419 12 HB3 SER 3 2HB SER 3 -27.102 -19.939 -17.304 13 HG SER 3 HG SER 3 -26.961 -22.474 -18.087 14 H GLY 4 H GLY 4 -25.569 -18.190 -15.609 15 HA2 GLY 4 1HA GLY 4 -27.244 -17.213 -13.980 16 HA3 GLY 4 2HA GLY 4 -26.602 -18.396 -12.850 17 H SER 5 H SER 5 -26.618 -15.704 -12.244 18 HA SER 5 HA SER 5 -23.739 -15.157 -12.139 19 HB2 SER 5 1HB SER 5 -24.052 -12.815 -12.642 20 HB3 SER 5 2HB SER 5 -24.781 -13.761 -13.939 21 HG SER 5 HG SER 5 -25.937 -12.004 -12.228 22 H SER 6 H SER 6 -23.018 -14.286 -10.240 23 HA SER 6 HA SER 6 -24.997 -14.145 -8.078 24 HB2 SER 6 1HB SER 6 -21.987 -14.444 -7.948 25 HB3 SER 6 2HB SER 6 -23.073 -14.435 -6.559 26 HG SER 6 HG SER 6 -23.188 -16.302 -8.695 27 H GLY 7 H GLY 7 -24.757 -12.484 -6.434 28 HA2 GLY 7 1HA GLY 7 -24.213 -9.909 -7.649 29 HA3 GLY 7 2HA GLY 7 -24.936 -10.189 -6.072 30 H THR 8 H THR 8 -23.550 -8.488 -5.296 31 HA THR 8 HA THR 8 -20.705 -8.786 -5.357 32 HB THR 8 HB THR 8 -20.766 -6.954 -3.601 33 HG1 THR 8 HG1 THR 8 -22.761 -6.012 -3.189 34 HG21 THR 8 3HG2 THR 8 -20.416 -6.306 -5.855 35 HG22 THR 8 1HG2 THR 8 -21.683 -5.248 -5.237 36 HG23 THR 8 2HG2 THR 8 -22.100 -6.607 -6.280 37 H GLY 9 H GLY 9 -19.437 -9.922 -4.033 38 HA2 GLY 9 1HA GLY 9 -20.660 -11.385 -1.837 39 HA3 GLY 9 2HA GLY 9 -19.038 -11.618 -2.472 40 H GLU 10 H GLU 10 -18.206 -11.662 -0.342 41 HA GLU 10 HA GLU 10 -18.584 -9.732 1.618 42 HB2 GLU 10 1HB GLU 10 -16.164 -11.432 1.009 43 HB3 GLU 10 2HB GLU 10 -16.322 -10.449 2.458 44 HG2 GLU 10 1HG GLU 10 -18.210 -11.729 3.192 45 HG3 GLU 10 2HG GLU 10 -18.239 -12.631 1.678 46 H LYS 11 H LYS 11 -18.247 -7.622 1.535 47 HA LYS 11 HA LYS 11 -16.591 -6.404 -0.450 48 HB2 LYS 11 1HB LYS 11 -18.736 -5.492 0.719 49 HB3 LYS 11 2HB LYS 11 -17.620 -4.955 1.967 50 HG2 LYS 11 1HG LYS 11 -16.637 -3.392 0.612 51 HG3 LYS 11 2HG LYS 11 -17.043 -4.261 -0.870 52 HD2 LYS 11 1HD LYS 11 -19.398 -3.652 -0.575 53 HD3 LYS 11 2HD LYS 11 -18.987 -2.779 0.903 54 HE2 LYS 11 1HE LYS 11 -17.561 -2.092 -1.621 55 HE3 LYS 11 2HE LYS 11 -19.217 -1.529 -1.402 56 HZ1 LYS 11 3HZ LYS 11 -18.550 0.017 0.027 57 HZ2 LYS 11 1HZ LYS 11 -16.963 -0.314 -0.458 58 HZ3 LYS 11 2HZ LYS 11 -17.605 -1.071 0.912 59 H ARG 12 H ARG 12 -14.548 -7.402 0.034 60 HA ARG 12 HA ARG 12 -13.114 -5.967 2.154 61 HB2 ARG 12 1HB ARG 12 -11.797 -8.116 2.535 62 HB3 ARG 12 2HB ARG 12 -13.433 -8.067 3.177 63 HG2 ARG 12 1HG ARG 12 -14.238 -9.555 1.605 64 HG3 ARG 12 2HG ARG 12 -12.926 -9.224 0.472 65 HD2 ARG 12 1HD ARG 12 -11.384 -10.261 2.218 66 HD3 ARG 12 2HD ARG 12 -12.851 -10.847 3.000 67 HE ARG 12 HE ARG 12 -12.650 -11.511 0.203 68 HH11 ARG 12 1HH1 ARG 12 -11.894 -12.481 3.460 69 HH12 ARG 12 2HH1 ARG 12 -11.756 -14.162 3.066 70 HH21 ARG 12 1HH2 ARG 12 -12.472 -13.722 -0.328 71 HH22 ARG 12 2HH2 ARG 12 -12.084 -14.867 0.911 72 H TYR 13 H TYR 13 -11.468 -4.895 1.304 73 HA TYR 13 HA TYR 13 -10.574 -5.402 -1.373 74 HB2 TYR 13 1HB TYR 13 -9.549 -3.489 0.734 75 HB3 TYR 13 2HB TYR 13 -9.013 -3.515 -0.942 76 HD1 TYR 13 HD1 TYR 13 -12.062 -3.093 1.154 77 HD2 TYR 13 HD2 TYR 13 -10.141 -2.255 -2.548 78 HE1 TYR 13 HE1 TYR 13 -13.901 -1.575 0.551 79 HE2 TYR 13 HE2 TYR 13 -11.974 -0.734 -3.162 80 HH TYR 13 HH TYR 13 -14.720 -0.190 -0.973 81 H LYS 14 H LYS 14 -8.159 -5.467 -1.827 82 HA LYS 14 HA LYS 14 -6.710 -7.091 0.140 83 HB2 LYS 14 1HB LYS 14 -7.883 -8.467 -1.704 84 HB3 LYS 14 2HB LYS 14 -6.663 -7.801 -2.782 85 HG2 LYS 14 1HG LYS 14 -4.985 -8.692 -1.014 86 HG3 LYS 14 2HG LYS 14 -6.340 -9.703 -0.505 87 HD2 LYS 14 1HD LYS 14 -6.434 -10.816 -2.556 88 HD3 LYS 14 2HD LYS 14 -5.516 -9.557 -3.386 89 HE2 LYS 14 1HE LYS 14 -4.096 -11.466 -3.104 90 HE3 LYS 14 2HE LYS 14 -3.534 -10.192 -2.023 91 HZ1 LYS 14 3HZ LYS 14 -3.645 -12.469 -1.031 92 HZ2 LYS 14 1HZ LYS 14 -5.330 -12.381 -1.146 93 HZ3 LYS 14 2HZ LYS 14 -4.491 -11.281 -0.173 94 H CYS 15 H CYS 15 -4.696 -6.398 0.444 95 HA CYS 15 HA CYS 15 -3.672 -4.184 -1.024 96 HB2 CYS 15 1HB CYS 15 -3.229 -4.632 1.405 97 HB3 CYS 15 2HB CYS 15 -2.182 -5.960 0.916 98 H ASN 16 H ASN 16 -3.217 -4.590 -3.127 99 HA ASN 16 HA ASN 16 -2.201 -6.930 -4.220 100 HB2 ASN 16 1HB ASN 16 -2.048 -4.057 -5.116 101 HB3 ASN 16 2HB ASN 16 -1.349 -5.360 -6.072 102 HD21 ASN 16 1HD2 ASN 16 -2.645 -6.620 -7.284 103 HD22 ASN 16 2HD2 ASN 16 -4.360 -6.433 -7.393 104 H GLU 17 H GLU 17 -0.654 -4.705 -2.198 105 HA GLU 17 HA GLU 17 2.019 -5.080 -3.183 106 HB2 GLU 17 1HB GLU 17 1.237 -4.079 -0.448 107 HB3 GLU 17 2HB GLU 17 2.724 -3.760 -1.330 108 HG2 GLU 17 1HG GLU 17 -0.011 -2.794 -2.134 109 HG3 GLU 17 2HG GLU 17 1.207 -1.834 -1.296 110 H CYS 18 H CYS 18 0.545 -5.938 -0.047 111 HA CYS 18 HA CYS 18 2.431 -8.176 0.146 112 HB2 CYS 18 1HB CYS 18 1.721 -8.220 2.556 113 HB3 CYS 18 2HB CYS 18 2.516 -6.731 2.057 114 H GLY 19 H GLY 19 -1.018 -7.408 0.468 115 HA2 GLY 19 1HA GLY 19 -2.431 -9.143 -0.725 116 HA3 GLY 19 2HA GLY 19 -1.591 -10.300 0.296 117 H LYS 20 H LYS 20 -1.806 -7.814 2.288 118 HA LYS 20 HA LYS 20 -3.658 -8.867 4.017 119 HB2 LYS 20 1HB LYS 20 -2.786 -6.010 3.607 120 HB3 LYS 20 2HB LYS 20 -3.851 -6.491 4.921 121 HG2 LYS 20 1HG LYS 20 -1.303 -7.974 4.598 122 HG3 LYS 20 2HG LYS 20 -1.230 -6.324 5.221 123 HD2 LYS 20 1HD LYS 20 -1.499 -7.445 7.189 124 HD3 LYS 20 2HD LYS 20 -3.197 -7.220 6.761 125 HE2 LYS 20 1HE LYS 20 -2.609 -9.533 7.501 126 HE3 LYS 20 2HE LYS 20 -3.348 -9.442 5.903 127 HZ1 LYS 20 3HZ LYS 20 -0.509 -9.259 5.757 128 HZ2 LYS 20 1HZ LYS 20 -1.555 -10.342 4.985 129 HZ3 LYS 20 2HZ LYS 20 -0.988 -10.679 6.542 130 H VAL 21 H VAL 21 -5.672 -7.440 4.755 131 HA VAL 21 HA VAL 21 -7.275 -6.657 2.437 132 HB VAL 21 HB VAL 21 -9.208 -7.982 3.640 133 HG11 VAL 21 1HG1 VAL 21 -9.155 -9.047 1.694 134 HG12 VAL 21 2HG1 VAL 21 -7.512 -8.459 1.432 135 HG13 VAL 21 3HG1 VAL 21 -7.778 -10.009 2.232 136 HG21 VAL 21 3HG2 VAL 21 -8.238 -10.216 4.410 137 HG22 VAL 21 1HG2 VAL 21 -6.705 -9.358 4.569 138 HG23 VAL 21 2HG2 VAL 21 -8.102 -8.852 5.520 139 H PHE 22 H PHE 22 -9.196 -5.455 2.999 140 HA PHE 22 HA PHE 22 -9.478 -4.563 5.745 141 HB2 PHE 22 1HB PHE 22 -8.984 -2.513 3.585 142 HB3 PHE 22 2HB PHE 22 -9.119 -2.240 5.319 143 HD1 PHE 22 HD2 PHE 22 -7.051 -4.178 2.895 144 HD2 PHE 22 HD1 PHE 22 -7.188 -1.959 6.525 145 HE1 PHE 22 HE2 PHE 22 -4.610 -4.391 3.113 146 HE2 PHE 22 HE1 PHE 22 -4.746 -2.168 6.748 147 HZ PHE 22 HZ PHE 22 -3.454 -3.386 5.042 148 H SER 23 H SER 23 -11.576 -4.523 6.163 149 HA SER 23 HA SER 23 -13.635 -5.039 4.485 150 HB2 SER 23 1HB SER 23 -15.130 -3.912 6.115 151 HB3 SER 23 2HB SER 23 -13.931 -4.938 6.902 152 HG SER 23 HG SER 23 -13.039 -3.233 7.777 153 H ARG 24 H ARG 24 -12.259 -1.852 5.149 154 HA ARG 24 HA ARG 24 -13.844 -0.783 2.905 155 HB2 ARG 24 1HB ARG 24 -12.741 0.789 5.239 156 HB3 ARG 24 2HB ARG 24 -13.803 1.385 3.970 157 HG2 ARG 24 1HG ARG 24 -15.365 -0.550 4.877 158 HG3 ARG 24 2HG ARG 24 -14.423 -0.276 6.344 159 HD2 ARG 24 1HD ARG 24 -14.958 2.242 5.835 160 HD3 ARG 24 2HD ARG 24 -16.291 1.553 4.909 161 HE ARG 24 HE ARG 24 -16.352 0.344 7.396 162 HH11 ARG 24 1HH1 ARG 24 -16.645 3.562 6.100 163 HH12 ARG 24 2HH1 ARG 24 -17.695 4.116 7.363 164 HH21 ARG 24 1HH2 ARG 24 -17.733 1.061 9.064 165 HH22 ARG 24 2HH2 ARG 24 -18.312 2.692 9.049 166 H ASN 25 H ASN 25 -12.809 0.907 1.637 167 HA ASN 25 HA ASN 25 -10.101 0.219 1.004 168 HB2 ASN 25 1HB ASN 25 -11.638 0.798 -0.784 169 HB3 ASN 25 2HB ASN 25 -11.915 2.386 -0.074 170 HD21 ASN 25 1HD2 ASN 25 -10.989 3.880 -1.260 171 HD22 ASN 25 2HD2 ASN 25 -9.424 3.785 -1.985 172 H SER 26 H SER 26 -11.699 2.791 2.744 173 HA SER 26 HA SER 26 -9.598 4.657 2.796 174 HB2 SER 26 1HB SER 26 -12.040 4.980 3.517 175 HB3 SER 26 2HB SER 26 -11.557 4.267 5.056 176 HG SER 26 HG SER 26 -11.437 6.602 4.966 177 H GLN 27 H GLN 27 -10.031 1.662 4.425 178 HA GLN 27 HA GLN 27 -7.993 2.287 6.423 179 HB2 GLN 27 1HB GLN 27 -9.860 -0.046 6.040 180 HB3 GLN 27 2HB GLN 27 -8.537 -0.089 7.199 181 HG2 GLN 27 1HG GLN 27 -9.552 2.080 8.126 182 HG3 GLN 27 2HG GLN 27 -10.987 1.627 7.207 183 HE21 GLN 27 1HE2 GLN 27 -12.036 -0.356 7.724 184 HE22 GLN 27 2HE2 GLN 27 -11.891 -1.038 9.305 185 H LEU 28 H LEU 28 -8.303 0.840 3.361 186 HA LEU 28 HA LEU 28 -5.958 -0.854 3.660 187 HB2 LEU 28 1HB LEU 28 -7.467 -1.925 2.309 188 HB3 LEU 28 2HB LEU 28 -8.031 -0.427 1.570 189 HG LEU 28 HG LEU 28 -5.786 -0.365 0.366 190 HD11 LEU 28 1HD1 LEU 28 -4.934 -2.791 0.047 191 HD12 LEU 28 2HD1 LEU 28 -5.691 -3.080 1.612 192 HD13 LEU 28 3HD1 LEU 28 -4.417 -1.871 1.460 193 HD21 LEU 28 3HD2 LEU 28 -6.872 -1.188 -1.405 194 HD22 LEU 28 1HD2 LEU 28 -8.212 -1.463 -0.292 195 HD23 LEU 28 2HD2 LEU 28 -7.085 -2.770 -0.653 196 H SER 29 H SER 29 -6.953 1.998 1.791 197 HA SER 29 HA SER 29 -4.626 2.428 0.355 198 HB2 SER 29 1HB SER 29 -6.533 3.753 -0.170 199 HB3 SER 29 2HB SER 29 -6.643 4.375 1.477 200 HG SER 29 HG SER 29 -5.687 5.853 -0.046 201 H GLN 30 H GLN 30 -5.470 3.635 3.590 202 HA GLN 30 HA GLN 30 -3.122 5.092 4.046 203 HB2 GLN 30 1HB GLN 30 -3.725 5.044 6.389 204 HB3 GLN 30 2HB GLN 30 -5.174 5.275 5.419 205 HG2 GLN 30 1HG GLN 30 -5.636 2.844 5.642 206 HG3 GLN 30 2HG GLN 30 -4.266 2.733 6.745 207 HE21 GLN 30 1HE2 GLN 30 -5.297 2.239 8.595 208 HE22 GLN 30 2HE2 GLN 30 -6.468 3.251 9.362 209 H HIS 31 H HIS 31 -3.621 1.740 3.854 210 HA HIS 31 HA HIS 31 -1.275 1.096 5.469 211 HB2 HIS 31 1HB HIS 31 -2.930 -0.473 5.908 212 HB3 HIS 31 2HB HIS 31 -3.487 -0.505 4.237 213 HD1 HIS 31 HD1 HIS 31 -1.003 -2.036 6.548 214 HD2 HIS 31 HD2 HIS 31 -2.036 -2.216 2.528 215 HE1 HIS 31 HE1 HIS 31 0.183 -4.058 5.639 216 H GLN 32 H GLN 32 -2.458 0.576 2.150 217 HA GLN 32 HA GLN 32 -0.291 -0.660 1.029 218 HB2 GLN 32 1HB GLN 32 -2.114 1.434 -0.151 219 HB3 GLN 32 2HB GLN 32 -0.933 0.546 -1.103 220 HG2 GLN 32 1HG GLN 32 -2.036 -1.562 -0.424 221 HG3 GLN 32 2HG GLN 32 -3.267 -0.608 0.404 222 HE21 GLN 32 1HE2 GLN 32 -3.973 -2.380 -1.544 223 HE22 GLN 32 2HE2 GLN 32 -4.527 -1.529 -2.941 224 H LYS 33 H LYS 33 -0.660 2.747 1.807 225 HA LYS 33 HA LYS 33 1.398 3.918 0.443 226 HB2 LYS 33 1HB LYS 33 1.530 5.558 2.231 227 HB3 LYS 33 2HB LYS 33 -0.150 5.122 1.942 228 HG2 LYS 33 1HG LYS 33 0.043 3.526 3.874 229 HG3 LYS 33 2HG LYS 33 1.611 4.259 4.219 230 HD2 LYS 33 1HD LYS 33 0.235 6.492 4.118 231 HD3 LYS 33 2HD LYS 33 -1.128 5.422 4.452 232 HE2 LYS 33 1HE LYS 33 0.032 4.581 6.441 233 HE3 LYS 33 2HE LYS 33 1.383 5.662 6.107 234 HZ1 LYS 33 3HZ LYS 33 0.263 6.999 7.507 235 HZ2 LYS 33 1HZ LYS 33 -1.230 6.254 7.226 236 HZ3 LYS 33 2HZ LYS 33 -0.633 7.391 6.126 237 H ILE 34 H ILE 34 1.607 1.832 3.255 238 HA ILE 34 HA ILE 34 4.212 2.280 4.067 239 HB ILE 34 HB ILE 34 4.185 0.167 5.114 240 HG12 ILE 34 1HG1 ILE 34 2.057 -0.633 3.117 241 HG13 ILE 34 2HG1 ILE 34 3.717 -1.217 3.160 242 HG21 ILE 34 1HG2 ILE 34 2.592 0.930 6.458 243 HG22 ILE 34 2HG2 ILE 34 1.842 1.815 5.131 244 HG23 ILE 34 3HG2 ILE 34 1.396 0.136 5.434 245 HD11 ILE 34 3HD1 ILE 34 3.223 -2.775 4.659 246 HD12 ILE 34 1HD1 ILE 34 2.340 -1.635 5.674 247 HD13 ILE 34 2HD1 ILE 34 1.530 -2.417 4.316 248 H HIS 35 H HIS 35 3.017 0.406 1.347 249 HA HIS 35 HA HIS 35 5.655 -0.605 0.698 250 HB2 HIS 35 1HB HIS 35 3.110 -0.803 -0.921 251 HB3 HIS 35 2HB HIS 35 4.572 -1.763 -1.128 252 HD1 HIS 35 HD1 HIS 35 5.131 -3.417 0.935 253 HD2 HIS 35 HD2 HIS 35 1.276 -1.874 0.785 254 HE1 HIS 35 HE1 HIS 35 3.757 -4.892 2.439 255 H THR 36 H THR 36 3.452 1.899 -0.377 256 HA THR 36 HA THR 36 4.747 2.556 -2.795 257 HB THR 36 HB THR 36 3.496 4.603 -2.776 258 HG1 THR 36 HG1 THR 36 3.016 5.595 -0.966 259 HG21 THR 36 3HG2 THR 36 1.391 3.182 -1.411 260 HG22 THR 36 1HG2 THR 36 2.326 2.084 -2.426 261 HG23 THR 36 2HG2 THR 36 1.580 3.518 -3.131 262 H GLY 37 H GLY 37 5.068 3.882 0.491 263 HA2 GLY 37 1HA GLY 37 6.607 5.369 1.363 264 HA3 GLY 37 2HA GLY 37 7.745 4.294 0.565 265 H GLU 38 H GLU 38 9.017 6.327 0.475 266 HA GLU 38 HA GLU 38 8.178 8.452 -1.227 267 HB2 GLU 38 1HB GLU 38 10.964 7.708 -0.318 268 HB3 GLU 38 2HB GLU 38 10.494 9.239 -1.043 269 HG2 GLU 38 1HG GLU 38 9.155 9.808 0.842 270 HG3 GLU 38 2HG GLU 38 9.351 8.199 1.535 271 H LYS 39 H LYS 39 9.323 9.084 -3.220 272 HA LYS 39 HA LYS 39 10.266 6.778 -4.782 273 HB2 LYS 39 1HB LYS 39 8.994 7.537 -6.715 274 HB3 LYS 39 2HB LYS 39 7.917 7.230 -5.360 275 HG2 LYS 39 1HG LYS 39 8.259 9.804 -4.935 276 HG3 LYS 39 2HG LYS 39 8.657 9.800 -6.654 277 HD2 LYS 39 1HD LYS 39 6.155 8.525 -5.578 278 HD3 LYS 39 2HD LYS 39 6.225 10.229 -6.032 279 HE2 LYS 39 1HE LYS 39 7.172 8.158 -7.960 280 HE3 LYS 39 2HE LYS 39 5.440 8.416 -7.754 281 HZ1 LYS 39 3HZ LYS 39 5.567 10.538 -8.590 282 HZ2 LYS 39 1HZ LYS 39 6.734 9.753 -9.530 283 HZ3 LYS 39 2HZ LYS 39 7.209 10.719 -8.225 284 HA PRO 40 HA PRO 40 13.622 9.410 -5.872 285 HB2 PRO 40 1HB PRO 40 14.415 8.178 -8.157 286 HB3 PRO 40 2HB PRO 40 14.704 7.500 -6.551 287 HG2 PRO 40 1HG PRO 40 12.561 6.832 -8.531 288 HG3 PRO 40 2HG PRO 40 13.537 5.742 -7.528 289 HD2 PRO 40 1HD PRO 40 10.997 6.430 -6.887 290 HD3 PRO 40 2HD PRO 40 12.234 6.093 -5.659 291 H SER 41 H SER 41 14.265 10.996 -7.389 292 HA SER 41 HA SER 41 12.251 12.472 -8.577 293 HB2 SER 41 1HB SER 41 14.403 13.467 -8.079 294 HB3 SER 41 2HB SER 41 15.204 12.407 -9.238 295 HG SER 41 HG SER 41 13.111 14.006 -10.160 296 H GLY 42 H GLY 42 14.355 10.019 -10.011 297 HA2 GLY 42 1HA GLY 42 12.583 9.032 -11.853 298 HA3 GLY 42 2HA GLY 42 13.343 10.390 -12.668 299 HA PRO 43 HA PRO 43 15.938 6.690 -13.552 300 HB2 PRO 43 1HB PRO 43 16.420 7.377 -16.134 301 HB3 PRO 43 2HB PRO 43 14.980 6.485 -15.630 302 HG2 PRO 43 1HG PRO 43 15.293 9.405 -16.207 303 HG3 PRO 43 2HG PRO 43 13.983 8.307 -16.676 304 HD2 PRO 43 1HD PRO 43 13.774 10.014 -14.585 305 HD3 PRO 43 2HD PRO 43 12.969 8.432 -14.610 306 H SER 44 H SER 44 18.171 6.567 -13.760 307 HA SER 44 HA SER 44 19.577 9.131 -13.480 308 HB2 SER 44 1HB SER 44 20.173 6.340 -12.535 309 HB3 SER 44 2HB SER 44 21.464 7.535 -12.666 310 HG SER 44 HG SER 44 19.673 7.250 -10.723 311 H SER 45 H SER 45 21.951 8.967 -14.275 312 HA SER 45 HA SER 45 22.581 7.311 -16.472 313 HB2 SER 45 1HB SER 45 22.447 9.010 -18.280 314 HB3 SER 45 2HB SER 45 20.861 8.576 -17.643 315 HG SER 45 HG SER 45 21.412 10.912 -17.941 316 H GLY 46 H GLY 46 24.626 7.881 -17.474 317 HA2 GLY 46 1HA GLY 46 26.295 9.917 -17.253 318 HA3 GLY 46 2HA GLY 46 26.320 9.341 -15.593 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -12.780 -10.261 -18.392 2 HA2 GLY 1 1HA GLY 1 -12.998 -12.135 -20.563 3 HA3 GLY 1 2HA GLY 1 -11.956 -12.709 -19.269 4 H SER 2 H SER 2 -13.422 -14.432 -18.888 5 HA SER 2 HA SER 2 -16.121 -14.306 -18.425 6 HB2 SER 2 1HB SER 2 -15.885 -16.326 -17.096 7 HB3 SER 2 2HB SER 2 -14.765 -16.395 -18.456 8 HG SER 2 HG SER 2 -13.141 -15.618 -16.966 9 H SER 3 H SER 3 -17.411 -13.432 -16.939 10 HA SER 3 HA SER 3 -16.178 -12.057 -14.674 11 HB2 SER 3 1HB SER 3 -18.893 -11.858 -15.976 12 HB3 SER 3 2HB SER 3 -18.522 -11.064 -14.445 13 HG SER 3 HG SER 3 -17.475 -9.588 -15.502 14 H GLY 4 H GLY 4 -16.188 -12.925 -12.714 15 HA2 GLY 4 1HA GLY 4 -17.829 -15.267 -12.185 16 HA3 GLY 4 2HA GLY 4 -16.554 -14.632 -11.157 17 H SER 5 H SER 5 -19.915 -14.290 -12.106 18 HA SER 5 HA SER 5 -20.414 -12.916 -9.552 19 HB2 SER 5 1HB SER 5 -21.707 -12.270 -12.212 20 HB3 SER 5 2HB SER 5 -22.163 -11.563 -10.663 21 HG SER 5 HG SER 5 -20.615 -10.190 -10.947 22 H SER 6 H SER 6 -21.157 -14.738 -8.520 23 HA SER 6 HA SER 6 -23.631 -15.909 -9.613 24 HB2 SER 6 1HB SER 6 -21.549 -17.417 -9.538 25 HB3 SER 6 2HB SER 6 -21.750 -17.397 -7.786 26 HG SER 6 HG SER 6 -23.998 -17.981 -9.320 27 H GLY 7 H GLY 7 -24.812 -14.293 -8.444 28 HA2 GLY 7 1HA GLY 7 -25.926 -13.437 -6.622 29 HA3 GLY 7 2HA GLY 7 -25.927 -15.105 -6.068 30 H THR 8 H THR 8 -24.835 -15.591 -4.269 31 HA THR 8 HA THR 8 -23.969 -13.824 -2.427 32 HB THR 8 HB THR 8 -22.549 -15.580 -1.444 33 HG1 THR 8 HG1 THR 8 -22.541 -17.631 -2.686 34 HG21 THR 8 3HG2 THR 8 -24.939 -15.705 -1.057 35 HG22 THR 8 1HG2 THR 8 -24.286 -17.332 -1.249 36 HG23 THR 8 2HG2 THR 8 -25.168 -16.573 -2.574 37 H GLY 9 H GLY 9 -22.353 -12.416 -2.181 38 HA2 GLY 9 1HA GLY 9 -19.698 -12.820 -3.012 39 HA3 GLY 9 2HA GLY 9 -20.520 -11.857 -4.231 40 H GLU 10 H GLU 10 -18.406 -11.443 -1.961 41 HA GLU 10 HA GLU 10 -19.645 -9.025 -0.824 42 HB2 GLU 10 1HB GLU 10 -17.564 -10.913 0.219 43 HB3 GLU 10 2HB GLU 10 -17.601 -9.252 0.791 44 HG2 GLU 10 1HG GLU 10 -20.085 -10.903 0.847 45 HG3 GLU 10 2HG GLU 10 -18.860 -11.099 2.099 46 H LYS 11 H LYS 11 -17.797 -7.385 -0.190 47 HA LYS 11 HA LYS 11 -16.010 -7.094 -2.515 48 HB2 LYS 11 1HB LYS 11 -18.060 -5.550 -2.430 49 HB3 LYS 11 2HB LYS 11 -17.261 -4.764 -1.074 50 HG2 LYS 11 1HG LYS 11 -16.695 -3.470 -2.930 51 HG3 LYS 11 2HG LYS 11 -15.269 -4.468 -2.635 52 HD2 LYS 11 1HD LYS 11 -15.672 -5.813 -4.482 53 HD3 LYS 11 2HD LYS 11 -17.385 -5.391 -4.540 54 HE2 LYS 11 1HE LYS 11 -15.156 -3.449 -5.121 55 HE3 LYS 11 2HE LYS 11 -15.981 -4.391 -6.362 56 HZ1 LYS 11 3HZ LYS 11 -16.996 -2.258 -6.247 57 HZ2 LYS 11 1HZ LYS 11 -17.181 -2.354 -4.568 58 HZ3 LYS 11 2HZ LYS 11 -18.086 -3.365 -5.578 59 H ARG 12 H ARG 12 -14.235 -7.922 -1.396 60 HA ARG 12 HA ARG 12 -13.331 -6.351 0.923 61 HB2 ARG 12 1HB ARG 12 -11.937 -8.257 1.517 62 HB3 ARG 12 2HB ARG 12 -13.613 -8.758 1.345 63 HG2 ARG 12 1HG ARG 12 -12.614 -10.446 0.210 64 HG3 ARG 12 2HG ARG 12 -12.811 -9.302 -1.119 65 HD2 ARG 12 1HD ARG 12 -10.446 -8.472 -0.247 66 HD3 ARG 12 2HD ARG 12 -10.359 -10.135 0.334 67 HE ARG 12 HE ARG 12 -10.073 -9.264 -2.346 68 HH11 ARG 12 1HH1 ARG 12 -11.394 -11.845 -0.419 69 HH12 ARG 12 2HH1 ARG 12 -11.247 -13.032 -1.673 70 HH21 ARG 12 1HH2 ARG 12 -9.874 -10.817 -4.005 71 HH22 ARG 12 2HH2 ARG 12 -10.382 -12.446 -3.712 72 H TYR 13 H TYR 13 -11.618 -5.069 0.704 73 HA TYR 13 HA TYR 13 -10.206 -5.015 -1.826 74 HB2 TYR 13 1HB TYR 13 -9.661 -3.245 0.550 75 HB3 TYR 13 2HB TYR 13 -9.354 -2.911 -1.151 76 HD1 TYR 13 HD2 TYR 13 -11.604 -3.061 -2.643 77 HD2 TYR 13 HD1 TYR 13 -11.438 -2.141 1.508 78 HE1 TYR 13 HE2 TYR 13 -13.775 -1.920 -2.815 79 HE2 TYR 13 HE1 TYR 13 -13.610 -0.999 1.348 80 HH TYR 13 HH TYR 13 -14.923 0.096 -1.272 81 H LYS 14 H LYS 14 -8.676 -6.529 -2.046 82 HA LYS 14 HA LYS 14 -6.953 -7.199 0.215 83 HB2 LYS 14 1HB LYS 14 -8.010 -8.970 -1.247 84 HB3 LYS 14 2HB LYS 14 -6.952 -8.429 -2.543 85 HG2 LYS 14 1HG LYS 14 -5.090 -8.834 -0.715 86 HG3 LYS 14 2HG LYS 14 -6.309 -9.934 -0.069 87 HD2 LYS 14 1HD LYS 14 -6.220 -11.324 -1.898 88 HD3 LYS 14 2HD LYS 14 -5.676 -10.040 -2.980 89 HE2 LYS 14 1HE LYS 14 -3.470 -10.162 -2.191 90 HE3 LYS 14 2HE LYS 14 -3.942 -11.069 -0.755 91 HZ1 LYS 14 3HZ LYS 14 -3.779 -12.986 -1.846 92 HZ2 LYS 14 1HZ LYS 14 -2.965 -12.131 -3.058 93 HZ3 LYS 14 2HZ LYS 14 -4.628 -12.411 -3.191 94 H CYS 15 H CYS 15 -4.927 -6.491 0.419 95 HA CYS 15 HA CYS 15 -3.893 -4.483 -1.274 96 HB2 CYS 15 1HB CYS 15 -3.365 -4.843 1.184 97 HB3 CYS 15 2HB CYS 15 -2.288 -6.139 0.675 98 H ASN 16 H ASN 16 -3.030 -4.717 -3.217 99 HA ASN 16 HA ASN 16 -2.174 -7.290 -4.180 100 HB2 ASN 16 1HB ASN 16 -2.406 -4.549 -5.384 101 HB3 ASN 16 2HB ASN 16 -1.528 -5.818 -6.233 102 HD21 ASN 16 1HD2 ASN 16 -2.632 -7.351 -7.301 103 HD22 ASN 16 2HD2 ASN 16 -4.356 -7.453 -7.362 104 H GLU 17 H GLU 17 -0.703 -5.329 -2.138 105 HA GLU 17 HA GLU 17 1.950 -5.468 -3.382 106 HB2 GLU 17 1HB GLU 17 0.967 -3.971 -0.947 107 HB3 GLU 17 2HB GLU 17 2.642 -3.996 -1.481 108 HG2 GLU 17 1HG GLU 17 0.453 -3.102 -3.314 109 HG3 GLU 17 2HG GLU 17 1.165 -2.003 -2.135 110 H CYS 18 H CYS 18 0.339 -6.199 -0.291 111 HA CYS 18 HA CYS 18 2.481 -8.135 0.282 112 HB2 CYS 18 1HB CYS 18 1.687 -7.985 2.647 113 HB3 CYS 18 2HB CYS 18 2.308 -6.466 2.010 114 H GLY 19 H GLY 19 -1.043 -7.687 0.526 115 HA2 GLY 19 1HA GLY 19 -2.354 -9.552 -0.501 116 HA3 GLY 19 2HA GLY 19 -1.309 -10.629 0.413 117 H LYS 20 H LYS 20 -2.325 -7.671 1.881 118 HA LYS 20 HA LYS 20 -3.813 -9.178 3.871 119 HB2 LYS 20 1HB LYS 20 -2.610 -6.463 3.708 120 HB3 LYS 20 2HB LYS 20 -3.997 -6.666 4.771 121 HG2 LYS 20 1HG LYS 20 -2.809 -8.496 5.920 122 HG3 LYS 20 2HG LYS 20 -1.404 -8.194 4.894 123 HD2 LYS 20 1HD LYS 20 -0.823 -6.928 6.702 124 HD3 LYS 20 2HD LYS 20 -1.743 -5.724 5.797 125 HE2 LYS 20 1HE LYS 20 -2.578 -5.559 7.971 126 HE3 LYS 20 2HE LYS 20 -3.768 -6.553 7.132 127 HZ1 LYS 20 3HZ LYS 20 -2.718 -7.217 9.468 128 HZ2 LYS 20 1HZ LYS 20 -1.597 -7.972 8.451 129 HZ3 LYS 20 2HZ LYS 20 -3.239 -8.365 8.340 130 H VAL 21 H VAL 21 -5.786 -7.791 4.777 131 HA VAL 21 HA VAL 21 -7.421 -6.797 2.561 132 HB VAL 21 HB VAL 21 -9.349 -8.155 3.767 133 HG11 VAL 21 1HG1 VAL 21 -9.318 -9.643 1.980 134 HG12 VAL 21 2HG1 VAL 21 -8.404 -8.263 1.368 135 HG13 VAL 21 3HG1 VAL 21 -7.556 -9.703 1.934 136 HG21 VAL 21 3HG2 VAL 21 -6.840 -9.678 4.418 137 HG22 VAL 21 1HG2 VAL 21 -8.148 -9.199 5.500 138 HG23 VAL 21 2HG2 VAL 21 -8.415 -10.463 4.300 139 H PHE 22 H PHE 22 -9.236 -5.528 3.224 140 HA PHE 22 HA PHE 22 -9.322 -4.760 6.045 141 HB2 PHE 22 1HB PHE 22 -9.144 -2.711 3.831 142 HB3 PHE 22 2HB PHE 22 -9.177 -2.403 5.564 143 HD1 PHE 22 HD2 PHE 22 -7.166 -4.176 2.979 144 HD2 PHE 22 HD1 PHE 22 -7.192 -2.096 6.692 145 HE1 PHE 22 HE2 PHE 22 -4.708 -4.249 3.033 146 HE2 PHE 22 HE1 PHE 22 -4.733 -2.165 6.751 147 HZ PHE 22 HZ PHE 22 -3.487 -3.244 4.921 148 H SER 23 H SER 23 -11.284 -3.808 6.707 149 HA SER 23 HA SER 23 -13.572 -4.747 5.304 150 HB2 SER 23 1HB SER 23 -14.855 -3.623 7.098 151 HB3 SER 23 2HB SER 23 -13.553 -4.621 7.744 152 HG SER 23 HG SER 23 -13.215 -1.858 7.254 153 H ARG 24 H ARG 24 -11.935 -1.667 5.528 154 HA ARG 24 HA ARG 24 -13.789 -0.600 3.510 155 HB2 ARG 24 1HB ARG 24 -12.619 1.020 5.777 156 HB3 ARG 24 2HB ARG 24 -13.756 1.578 4.557 157 HG2 ARG 24 1HG ARG 24 -14.548 -0.716 6.268 158 HG3 ARG 24 2HG ARG 24 -14.541 0.901 6.975 159 HD2 ARG 24 1HD ARG 24 -16.735 0.452 6.117 160 HD3 ARG 24 2HD ARG 24 -15.970 1.668 5.095 161 HE ARG 24 HE ARG 24 -15.632 -1.017 4.133 162 HH11 ARG 24 1HH1 ARG 24 -17.727 1.764 4.170 163 HH12 ARG 24 2HH1 ARG 24 -18.517 1.351 2.685 164 HH21 ARG 24 1HH2 ARG 24 -16.666 -1.571 2.177 165 HH22 ARG 24 2HH2 ARG 24 -17.913 -0.547 1.552 166 H ASN 25 H ASN 25 -12.881 0.660 1.914 167 HA ASN 25 HA ASN 25 -10.205 0.185 1.236 168 HB2 ASN 25 1HB ASN 25 -10.556 1.640 -0.622 169 HB3 ASN 25 2HB ASN 25 -12.086 0.817 -0.334 170 HD21 ASN 25 1HD2 ASN 25 -10.402 3.820 -0.304 171 HD22 ASN 25 2HD2 ASN 25 -11.769 4.830 0.008 172 H SER 26 H SER 26 -11.749 2.905 2.856 173 HA SER 26 HA SER 26 -9.653 4.736 2.793 174 HB2 SER 26 1HB SER 26 -11.949 4.272 4.662 175 HB3 SER 26 2HB SER 26 -10.714 5.456 5.089 176 HG SER 26 HG SER 26 -11.404 6.741 3.555 177 H GLN 27 H GLN 27 -9.923 1.772 4.480 178 HA GLN 27 HA GLN 27 -7.845 2.474 6.405 179 HB2 GLN 27 1HB GLN 27 -9.500 -0.026 6.041 180 HB3 GLN 27 2HB GLN 27 -8.245 0.148 7.260 181 HG2 GLN 27 1HG GLN 27 -9.485 2.061 8.209 182 HG3 GLN 27 2HG GLN 27 -10.769 1.771 7.037 183 HE21 GLN 27 1HE2 GLN 27 -9.254 0.708 9.949 184 HE22 GLN 27 2HE2 GLN 27 -10.425 -0.489 10.375 185 H LEU 28 H LEU 28 -8.297 0.718 3.446 186 HA LEU 28 HA LEU 28 -5.821 -0.738 3.625 187 HB2 LEU 28 1HB LEU 28 -7.316 -1.886 2.328 188 HB3 LEU 28 2HB LEU 28 -7.987 -0.420 1.615 189 HG LEU 28 HG LEU 28 -5.773 -0.249 0.338 190 HD11 LEU 28 1HD1 LEU 28 -5.505 -2.890 1.655 191 HD12 LEU 28 2HD1 LEU 28 -4.271 -1.714 1.204 192 HD13 LEU 28 3HD1 LEU 28 -4.984 -2.758 -0.025 193 HD21 LEU 28 3HD2 LEU 28 -6.826 -1.162 -1.432 194 HD22 LEU 28 1HD2 LEU 28 -8.177 -1.295 -0.306 195 HD23 LEU 28 2HD2 LEU 28 -7.134 -2.687 -0.600 196 H SER 29 H SER 29 -7.004 2.045 1.759 197 HA SER 29 HA SER 29 -4.741 2.568 0.255 198 HB2 SER 29 1HB SER 29 -7.116 3.738 0.370 199 HB3 SER 29 2HB SER 29 -6.251 4.878 1.401 200 HG SER 29 HG SER 29 -5.788 5.712 -0.497 201 H GLN 30 H GLN 30 -5.487 3.540 3.569 202 HA GLN 30 HA GLN 30 -3.175 5.160 3.908 203 HB2 GLN 30 1HB GLN 30 -5.079 3.876 5.860 204 HB3 GLN 30 2HB GLN 30 -3.721 4.867 6.376 205 HG2 GLN 30 1HG GLN 30 -4.621 6.762 5.138 206 HG3 GLN 30 2HG GLN 30 -5.975 5.770 4.598 207 HE21 GLN 30 1HE2 GLN 30 -5.530 8.217 6.432 208 HE22 GLN 30 2HE2 GLN 30 -6.516 7.857 7.803 209 H HIS 31 H HIS 31 -3.599 1.824 3.722 210 HA HIS 31 HA HIS 31 -1.288 1.208 5.398 211 HB2 HIS 31 1HB HIS 31 -2.917 -0.401 5.778 212 HB3 HIS 31 2HB HIS 31 -3.439 -0.418 4.096 213 HD1 HIS 31 HD1 HIS 31 -0.457 -1.527 6.173 214 HD2 HIS 31 HD2 HIS 31 -2.448 -2.493 2.657 215 HE1 HIS 31 HE1 HIS 31 0.651 -3.620 5.327 216 H GLN 32 H GLN 32 -2.369 0.649 2.049 217 HA GLN 32 HA GLN 32 -0.104 -0.497 1.006 218 HB2 GLN 32 1HB GLN 32 -1.960 1.493 -0.307 219 HB3 GLN 32 2HB GLN 32 -0.778 0.519 -1.172 220 HG2 GLN 32 1HG GLN 32 -2.010 -1.469 -0.001 221 HG3 GLN 32 2HG GLN 32 -3.324 -0.301 0.131 222 HE21 GLN 32 1HE2 GLN 32 -3.610 -2.606 -1.326 223 HE22 GLN 32 2HE2 GLN 32 -3.715 -2.219 -3.007 224 H LYS 33 H LYS 33 -0.657 2.851 1.834 225 HA LYS 33 HA LYS 33 1.342 4.139 0.439 226 HB2 LYS 33 1HB LYS 33 1.291 5.838 2.144 227 HB3 LYS 33 2HB LYS 33 -0.344 5.235 1.908 228 HG2 LYS 33 1HG LYS 33 0.032 3.745 3.898 229 HG3 LYS 33 2HG LYS 33 1.529 4.638 4.181 230 HD2 LYS 33 1HD LYS 33 -1.188 5.929 3.978 231 HD3 LYS 33 2HD LYS 33 -0.440 5.446 5.502 232 HE2 LYS 33 1HE LYS 33 1.130 7.103 5.413 233 HE3 LYS 33 2HE LYS 33 1.144 7.146 3.651 234 HZ1 LYS 33 3HZ LYS 33 -0.794 8.424 3.600 235 HZ2 LYS 33 1HZ LYS 33 0.117 9.110 4.850 236 HZ3 LYS 33 2HZ LYS 33 -1.183 8.090 5.212 237 H ILE 34 H ILE 34 1.597 2.127 3.302 238 HA ILE 34 HA ILE 34 4.210 2.772 4.070 239 HB ILE 34 HB ILE 34 4.190 0.880 5.425 240 HG12 ILE 34 1HG1 ILE 34 2.204 -0.388 3.527 241 HG13 ILE 34 2HG1 ILE 34 3.921 -0.768 3.609 242 HG21 ILE 34 1HG2 ILE 34 2.437 1.564 6.598 243 HG22 ILE 34 2HG2 ILE 34 1.809 2.378 5.166 244 HG23 ILE 34 3HG2 ILE 34 1.348 0.710 5.506 245 HD11 ILE 34 3HD1 ILE 34 1.722 -1.734 5.224 246 HD12 ILE 34 1HD1 ILE 34 3.346 -2.388 5.009 247 HD13 ILE 34 2HD1 ILE 34 3.056 -1.121 6.201 248 H HIS 35 H HIS 35 3.010 0.861 1.445 249 HA HIS 35 HA HIS 35 5.432 -0.586 0.960 250 HB2 HIS 35 1HB HIS 35 3.021 -0.076 -0.791 251 HB3 HIS 35 2HB HIS 35 4.349 -1.149 -1.221 252 HD1 HIS 35 HD1 HIS 35 4.752 -2.762 1.276 253 HD2 HIS 35 HD2 HIS 35 0.984 -1.726 -0.137 254 HE1 HIS 35 HE1 HIS 35 3.174 -4.454 2.264 255 H THR 36 H THR 36 4.070 2.456 -0.109 256 HA THR 36 HA THR 36 5.302 3.176 -2.351 257 HB THR 36 HB THR 36 4.012 4.730 -0.884 258 HG1 THR 36 HG1 THR 36 4.908 5.835 -2.507 259 HG21 THR 36 3HG2 THR 36 5.779 4.148 1.054 260 HG22 THR 36 1HG2 THR 36 4.831 5.635 1.031 261 HG23 THR 36 2HG2 THR 36 6.494 5.640 0.443 262 H GLY 37 H GLY 37 7.295 3.351 -3.180 263 HA2 GLY 37 1HA GLY 37 9.579 3.376 -1.312 264 HA3 GLY 37 2HA GLY 37 9.543 2.267 -2.675 265 H GLU 38 H GLU 38 8.655 5.702 -2.428 266 HA GLU 38 HA GLU 38 10.957 6.675 -3.740 267 HB2 GLU 38 1HB GLU 38 9.950 7.268 -5.914 268 HB3 GLU 38 2HB GLU 38 10.067 5.529 -5.685 269 HG2 GLU 38 1HG GLU 38 7.647 5.632 -4.906 270 HG3 GLU 38 2HG GLU 38 7.625 7.263 -5.575 271 H LYS 39 H LYS 39 11.089 8.573 -2.755 272 HA LYS 39 HA LYS 39 9.191 10.627 -3.153 273 HB2 LYS 39 1HB LYS 39 8.252 10.896 -0.986 274 HB3 LYS 39 2HB LYS 39 8.013 9.209 -1.424 275 HG2 LYS 39 1HG LYS 39 10.441 9.927 0.129 276 HG3 LYS 39 2HG LYS 39 8.883 9.908 0.958 277 HD2 LYS 39 1HD LYS 39 8.636 7.579 -0.225 278 HD3 LYS 39 2HD LYS 39 10.397 7.666 -0.302 279 HE2 LYS 39 1HE LYS 39 8.754 7.958 2.211 280 HE3 LYS 39 2HE LYS 39 9.570 6.480 1.704 281 HZ1 LYS 39 3HZ LYS 39 11.068 7.433 3.156 282 HZ2 LYS 39 1HZ LYS 39 10.745 9.013 2.644 283 HZ3 LYS 39 2HZ LYS 39 11.648 7.974 1.662 284 HA PRO 40 HA PRO 40 12.740 13.026 -2.178 285 HB2 PRO 40 1HB PRO 40 11.574 15.385 -1.510 286 HB3 PRO 40 2HB PRO 40 11.658 14.792 -3.173 287 HG2 PRO 40 1HG PRO 40 9.385 14.665 -1.229 288 HG3 PRO 40 2HG PRO 40 9.359 15.066 -2.956 289 HD2 PRO 40 1HD PRO 40 8.664 12.623 -2.018 290 HD3 PRO 40 2HD PRO 40 9.435 12.855 -3.600 291 H SER 41 H SER 41 13.891 12.577 -0.403 292 HA SER 41 HA SER 41 13.098 12.045 2.129 293 HB2 SER 41 1HB SER 41 15.596 13.485 1.226 294 HB3 SER 41 2HB SER 41 15.354 12.919 2.878 295 HG SER 41 HG SER 41 15.024 11.155 0.711 296 H GLY 42 H GLY 42 11.580 13.175 3.197 297 HA2 GLY 42 1HA GLY 42 11.458 16.045 3.128 298 HA3 GLY 42 2HA GLY 42 10.446 14.980 4.092 299 HA PRO 43 HA PRO 43 14.040 17.055 6.532 300 HB2 PRO 43 1HB PRO 43 12.851 19.356 7.347 301 HB3 PRO 43 2HB PRO 43 13.816 19.244 5.871 302 HG2 PRO 43 1HG PRO 43 10.842 19.177 6.198 303 HG3 PRO 43 2HG PRO 43 11.815 20.032 4.988 304 HD2 PRO 43 1HD PRO 43 10.562 17.691 4.460 305 HD3 PRO 43 2HD PRO 43 12.101 18.143 3.699 306 H SER 44 H SER 44 13.735 15.515 8.105 307 HA SER 44 HA SER 44 11.513 15.976 9.987 308 HB2 SER 44 1HB SER 44 11.543 13.622 10.519 309 HB3 SER 44 2HB SER 44 11.453 13.787 8.766 310 HG SER 44 HG SER 44 13.946 13.691 9.113 311 H SER 45 H SER 45 11.948 15.616 12.239 312 HA SER 45 HA SER 45 14.599 16.531 12.978 313 HB2 SER 45 1HB SER 45 12.251 17.270 13.946 314 HB3 SER 45 2HB SER 45 12.500 15.885 15.009 315 HG SER 45 HG SER 45 13.743 18.328 14.986 316 H GLY 46 H GLY 46 12.454 13.929 14.162 317 HA2 GLY 46 1HA GLY 46 14.812 12.188 14.373 318 HA3 GLY 46 2HA GLY 46 13.811 12.436 15.796 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -13.471 -25.942 -12.251 2 HA2 GLY 1 1HA GLY 1 -15.682 -26.516 -14.123 3 HA3 GLY 1 2HA GLY 1 -15.887 -26.258 -12.397 4 H SER 2 H SER 2 -17.394 -24.604 -12.722 5 HA SER 2 HA SER 2 -16.190 -22.014 -13.229 6 HB2 SER 2 1HB SER 2 -17.142 -22.984 -15.434 7 HB3 SER 2 2HB SER 2 -18.723 -22.666 -14.719 8 HG SER 2 HG SER 2 -18.168 -20.488 -14.565 9 H SER 3 H SER 3 -16.703 -20.967 -11.427 10 HA SER 3 HA SER 3 -19.078 -21.575 -9.927 11 HB2 SER 3 1HB SER 3 -16.718 -19.783 -9.567 12 HB3 SER 3 2HB SER 3 -18.177 -19.431 -8.641 13 HG SER 3 HG SER 3 -16.347 -21.174 -8.039 14 H GLY 4 H GLY 4 -17.883 -18.733 -11.709 15 HA2 GLY 4 1HA GLY 4 -19.339 -17.446 -13.114 16 HA3 GLY 4 2HA GLY 4 -20.684 -17.913 -12.083 17 H SER 5 H SER 5 -20.540 -15.329 -12.677 18 HA SER 5 HA SER 5 -20.349 -14.068 -10.163 19 HB2 SER 5 1HB SER 5 -17.875 -14.329 -10.935 20 HB3 SER 5 2HB SER 5 -18.257 -13.014 -12.047 21 HG SER 5 HG SER 5 -17.735 -11.851 -10.357 22 H SER 6 H SER 6 -21.801 -12.490 -10.205 23 HA SER 6 HA SER 6 -22.743 -11.504 -12.780 24 HB2 SER 6 1HB SER 6 -24.641 -10.614 -11.542 25 HB3 SER 6 2HB SER 6 -24.373 -12.295 -11.080 26 HG SER 6 HG SER 6 -24.655 -11.147 -9.209 27 H GLY 7 H GLY 7 -21.485 -10.228 -9.713 28 HA2 GLY 7 1HA GLY 7 -20.442 -7.915 -11.154 29 HA3 GLY 7 2HA GLY 7 -21.602 -7.583 -9.876 30 H THR 8 H THR 8 -20.801 -7.212 -7.923 31 HA THR 8 HA THR 8 -18.212 -8.408 -7.204 32 HB THR 8 HB THR 8 -17.527 -6.319 -6.106 33 HG1 THR 8 HG1 THR 8 -18.880 -4.419 -6.951 34 HG21 THR 8 3HG2 THR 8 -17.535 -6.850 -8.840 35 HG22 THR 8 1HG2 THR 8 -16.510 -5.691 -7.993 36 HG23 THR 8 2HG2 THR 8 -18.032 -5.163 -8.711 37 H GLY 9 H GLY 9 -19.236 -9.923 -5.881 38 HA2 GLY 9 1HA GLY 9 -21.182 -9.228 -3.926 39 HA3 GLY 9 2HA GLY 9 -20.276 -10.733 -3.996 40 H GLU 10 H GLU 10 -18.127 -10.767 -3.062 41 HA GLU 10 HA GLU 10 -17.976 -9.870 -0.487 42 HB2 GLU 10 1HB GLU 10 -15.527 -10.227 -0.633 43 HB3 GLU 10 2HB GLU 10 -16.455 -11.550 -1.326 44 HG2 GLU 10 1HG GLU 10 -14.581 -11.085 -2.737 45 HG3 GLU 10 2HG GLU 10 -16.058 -10.607 -3.571 46 H LYS 11 H LYS 11 -16.627 -8.246 0.543 47 HA LYS 11 HA LYS 11 -16.106 -5.876 -1.111 48 HB2 LYS 11 1HB LYS 11 -18.336 -5.759 0.123 49 HB3 LYS 11 2HB LYS 11 -17.396 -5.692 1.608 50 HG2 LYS 11 1HG LYS 11 -16.580 -3.589 1.159 51 HG3 LYS 11 2HG LYS 11 -16.817 -3.753 -0.583 52 HD2 LYS 11 1HD LYS 11 -19.343 -3.866 0.052 53 HD3 LYS 11 2HD LYS 11 -18.809 -3.105 1.553 54 HE2 LYS 11 1HE LYS 11 -17.931 -1.228 0.377 55 HE3 LYS 11 2HE LYS 11 -18.144 -2.027 -1.180 56 HZ1 LYS 11 3HZ LYS 11 -19.856 -0.283 -0.433 57 HZ2 LYS 11 1HZ LYS 11 -20.468 -1.511 0.557 58 HZ3 LYS 11 2HZ LYS 11 -20.418 -1.723 -1.121 59 H ARG 12 H ARG 12 -14.192 -7.705 -0.263 60 HA ARG 12 HA ARG 12 -12.821 -6.280 1.919 61 HB2 ARG 12 1HB ARG 12 -12.418 -9.102 0.910 62 HB3 ARG 12 2HB ARG 12 -11.481 -8.344 2.190 63 HG2 ARG 12 1HG ARG 12 -13.725 -8.009 3.376 64 HG3 ARG 12 2HG ARG 12 -14.356 -9.179 2.215 65 HD2 ARG 12 1HD ARG 12 -12.484 -10.714 2.942 66 HD3 ARG 12 2HD ARG 12 -12.181 -9.578 4.256 67 HE ARG 12 HE ARG 12 -14.806 -10.104 4.532 68 HH11 ARG 12 1HH1 ARG 12 -12.018 -12.157 4.175 69 HH12 ARG 12 2HH1 ARG 12 -12.695 -13.457 5.099 70 HH21 ARG 12 1HH2 ARG 12 -15.708 -11.808 5.750 71 HH22 ARG 12 2HH2 ARG 12 -14.795 -13.258 5.994 72 H TYR 13 H TYR 13 -11.587 -4.754 0.990 73 HA TYR 13 HA TYR 13 -10.363 -5.019 -1.556 74 HB2 TYR 13 1HB TYR 13 -9.648 -3.083 0.653 75 HB3 TYR 13 2HB TYR 13 -9.277 -2.909 -1.059 76 HD1 TYR 13 HD1 TYR 13 -11.930 -2.751 1.475 77 HD2 TYR 13 HD2 TYR 13 -10.962 -2.189 -2.630 78 HE1 TYR 13 HE1 TYR 13 -14.051 -1.550 1.146 79 HE2 TYR 13 HE2 TYR 13 -13.079 -0.985 -2.970 80 HH TYR 13 HH TYR 13 -15.612 -1.137 -1.035 81 H LYS 14 H LYS 14 -8.779 -6.405 -1.968 82 HA LYS 14 HA LYS 14 -6.928 -7.226 0.105 83 HB2 LYS 14 1HB LYS 14 -7.973 -8.740 -1.696 84 HB3 LYS 14 2HB LYS 14 -6.796 -8.029 -2.793 85 HG2 LYS 14 1HG LYS 14 -5.078 -8.741 -0.972 86 HG3 LYS 14 2HG LYS 14 -6.363 -9.839 -0.463 87 HD2 LYS 14 1HD LYS 14 -5.139 -11.124 -1.964 88 HD3 LYS 14 2HD LYS 14 -6.462 -10.508 -2.958 89 HE2 LYS 14 1HE LYS 14 -3.936 -8.938 -2.800 90 HE3 LYS 14 2HE LYS 14 -3.959 -10.402 -3.781 91 HZ1 LYS 14 3HZ LYS 14 -6.191 -9.236 -4.611 92 HZ2 LYS 14 1HZ LYS 14 -4.687 -8.968 -5.337 93 HZ3 LYS 14 2HZ LYS 14 -5.294 -7.858 -4.215 94 H CYS 15 H CYS 15 -4.775 -6.756 0.213 95 HA CYS 15 HA CYS 15 -3.895 -4.411 -1.228 96 HB2 CYS 15 1HB CYS 15 -3.466 -4.933 1.253 97 HB3 CYS 15 2HB CYS 15 -2.222 -6.037 0.676 98 H ASN 16 H ASN 16 -3.157 -4.649 -3.235 99 HA ASN 16 HA ASN 16 -2.142 -7.046 -4.310 100 HB2 ASN 16 1HB ASN 16 -2.095 -4.182 -5.233 101 HB3 ASN 16 2HB ASN 16 -1.286 -5.448 -6.152 102 HD21 ASN 16 1HD2 ASN 16 -2.779 -4.846 -7.841 103 HD22 ASN 16 2HD2 ASN 16 -4.372 -5.514 -7.844 104 H GLU 17 H GLU 17 -0.717 -4.772 -2.265 105 HA GLU 17 HA GLU 17 1.987 -5.031 -3.193 106 HB2 GLU 17 1HB GLU 17 0.796 -3.929 -0.648 107 HB3 GLU 17 2HB GLU 17 2.524 -3.944 -0.973 108 HG2 GLU 17 1HG GLU 17 1.561 -1.780 -1.481 109 HG3 GLU 17 2HG GLU 17 2.178 -2.552 -2.940 110 H CYS 18 H CYS 18 0.537 -5.964 -0.069 111 HA CYS 18 HA CYS 18 2.469 -8.170 0.081 112 HB2 CYS 18 1HB CYS 18 1.849 -8.230 2.500 113 HB3 CYS 18 2HB CYS 18 2.551 -6.699 1.989 114 H GLY 19 H GLY 19 -0.982 -7.441 0.360 115 HA2 GLY 19 1HA GLY 19 -2.425 -9.156 -0.747 116 HA3 GLY 19 2HA GLY 19 -1.514 -10.343 0.174 117 H LYS 20 H LYS 20 -1.946 -7.586 2.009 118 HA LYS 20 HA LYS 20 -3.584 -8.859 3.906 119 HB2 LYS 20 1HB LYS 20 -2.666 -6.038 3.488 120 HB3 LYS 20 2HB LYS 20 -3.877 -6.384 4.715 121 HG2 LYS 20 1HG LYS 20 -1.404 -8.023 4.703 122 HG3 LYS 20 2HG LYS 20 -1.297 -6.353 5.266 123 HD2 LYS 20 1HD LYS 20 -3.389 -8.247 6.300 124 HD3 LYS 20 2HD LYS 20 -1.775 -8.163 7.011 125 HE2 LYS 20 1HE LYS 20 -2.124 -5.728 7.365 126 HE3 LYS 20 2HE LYS 20 -3.778 -5.919 6.784 127 HZ1 LYS 20 3HZ LYS 20 -2.853 -6.269 9.369 128 HZ2 LYS 20 1HZ LYS 20 -3.237 -7.817 8.805 129 HZ3 LYS 20 2HZ LYS 20 -4.405 -6.594 8.782 130 H VAL 21 H VAL 21 -5.585 -7.367 4.731 131 HA VAL 21 HA VAL 21 -7.308 -6.621 2.510 132 HB VAL 21 HB VAL 21 -9.162 -8.084 3.606 133 HG11 VAL 21 1HG1 VAL 21 -7.025 -9.445 1.974 134 HG12 VAL 21 2HG1 VAL 21 -8.746 -9.833 2.026 135 HG13 VAL 21 3HG1 VAL 21 -8.205 -8.313 1.313 136 HG21 VAL 21 3HG2 VAL 21 -8.073 -8.934 5.510 137 HG22 VAL 21 1HG2 VAL 21 -8.140 -10.286 4.380 138 HG23 VAL 21 2HG2 VAL 21 -6.638 -9.386 4.591 139 H PHE 22 H PHE 22 -9.041 -5.308 3.105 140 HA PHE 22 HA PHE 22 -9.415 -4.694 5.930 141 HB2 PHE 22 1HB PHE 22 -8.862 -2.480 3.953 142 HB3 PHE 22 2HB PHE 22 -9.026 -2.347 5.700 143 HD1 PHE 22 HD2 PHE 22 -6.956 -4.237 3.233 144 HD2 PHE 22 HD1 PHE 22 -7.092 -2.057 6.887 145 HE1 PHE 22 HE2 PHE 22 -4.521 -4.496 3.475 146 HE2 PHE 22 HE1 PHE 22 -4.658 -2.312 7.134 147 HZ PHE 22 HZ PHE 22 -3.369 -3.534 5.428 148 H SER 23 H SER 23 -11.525 -4.770 6.276 149 HA SER 23 HA SER 23 -13.540 -5.058 4.493 150 HB2 SER 23 1HB SER 23 -13.527 -3.748 7.203 151 HB3 SER 23 2HB SER 23 -15.019 -3.908 6.277 152 HG SER 23 HG SER 23 -14.102 -5.685 7.843 153 H ARG 24 H ARG 24 -12.163 -1.998 5.588 154 HA ARG 24 HA ARG 24 -13.827 -0.591 3.609 155 HB2 ARG 24 1HB ARG 24 -12.441 0.425 6.093 156 HB3 ARG 24 2HB ARG 24 -13.225 1.467 4.914 157 HG2 ARG 24 1HG ARG 24 -14.858 1.239 6.514 158 HG3 ARG 24 2HG ARG 24 -15.302 -0.022 5.362 159 HD2 ARG 24 1HD ARG 24 -13.880 -1.582 6.813 160 HD3 ARG 24 2HD ARG 24 -13.946 -0.303 8.026 161 HE ARG 24 HE ARG 24 -16.108 -2.040 7.201 162 HH11 ARG 24 1HH1 ARG 24 -15.182 0.888 8.841 163 HH12 ARG 24 2HH1 ARG 24 -16.635 0.976 9.779 164 HH21 ARG 24 1HH2 ARG 24 -18.026 -1.935 8.431 165 HH22 ARG 24 2HH2 ARG 24 -18.252 -0.630 9.546 166 H ASN 25 H ASN 25 -12.897 0.558 1.994 167 HA ASN 25 HA ASN 25 -10.208 0.001 1.295 168 HB2 ASN 25 1HB ASN 25 -10.595 1.455 -0.620 169 HB3 ASN 25 2HB ASN 25 -11.992 0.411 -0.371 170 HD21 ASN 25 1HD2 ASN 25 -10.772 3.644 -0.268 171 HD22 ASN 25 2HD2 ASN 25 -12.294 4.435 -0.060 172 H SER 26 H SER 26 -11.829 2.877 2.573 173 HA SER 26 HA SER 26 -9.767 4.709 2.421 174 HB2 SER 26 1HB SER 26 -12.144 5.125 3.198 175 HB3 SER 26 2HB SER 26 -11.654 4.501 4.773 176 HG SER 26 HG SER 26 -10.118 6.520 3.590 177 H GLN 27 H GLN 27 -10.074 1.945 4.464 178 HA GLN 27 HA GLN 27 -7.996 2.833 6.293 179 HB2 GLN 27 1HB GLN 27 -9.641 0.309 6.126 180 HB3 GLN 27 2HB GLN 27 -8.350 0.534 7.298 181 HG2 GLN 27 1HG GLN 27 -10.761 1.007 8.022 182 HG3 GLN 27 2HG GLN 27 -9.508 2.169 8.456 183 HE21 GLN 27 1HE2 GLN 27 -9.351 4.115 7.230 184 HE22 GLN 27 2HE2 GLN 27 -10.737 4.751 6.418 185 H LEU 28 H LEU 28 -8.403 0.718 3.547 186 HA LEU 28 HA LEU 28 -5.907 -0.645 3.857 187 HB2 LEU 28 1HB LEU 28 -7.390 -1.881 2.617 188 HB3 LEU 28 2HB LEU 28 -8.009 -0.472 1.757 189 HG LEU 28 HG LEU 28 -5.680 -0.458 0.614 190 HD11 LEU 28 1HD1 LEU 28 -5.817 -3.362 1.390 191 HD12 LEU 28 2HD1 LEU 28 -4.767 -2.187 2.182 192 HD13 LEU 28 3HD1 LEU 28 -4.555 -2.545 0.468 193 HD21 LEU 28 3HD2 LEU 28 -7.105 -2.809 -0.374 194 HD22 LEU 28 1HD2 LEU 28 -6.759 -1.272 -1.168 195 HD23 LEU 28 2HD2 LEU 28 -8.146 -1.413 -0.087 196 H SER 29 H SER 29 -7.049 2.061 1.874 197 HA SER 29 HA SER 29 -4.859 2.500 0.276 198 HB2 SER 29 1HB SER 29 -7.152 3.799 0.551 199 HB3 SER 29 2HB SER 29 -6.162 4.880 1.531 200 HG SER 29 HG SER 29 -6.312 5.348 -0.800 201 H GLN 30 H GLN 30 -5.356 3.596 3.610 202 HA GLN 30 HA GLN 30 -2.944 5.055 3.813 203 HB2 GLN 30 1HB GLN 30 -4.713 3.806 5.916 204 HB3 GLN 30 2HB GLN 30 -3.325 4.817 6.294 205 HG2 GLN 30 1HG GLN 30 -5.445 5.847 4.469 206 HG3 GLN 30 2HG GLN 30 -5.714 5.838 6.211 207 HE21 GLN 30 1HE2 GLN 30 -3.524 6.594 7.362 208 HE22 GLN 30 2HE2 GLN 30 -2.958 8.124 6.797 209 H HIS 31 H HIS 31 -3.623 1.703 3.851 210 HA HIS 31 HA HIS 31 -1.139 1.025 5.221 211 HB2 HIS 31 1HB HIS 31 -2.818 -0.435 5.905 212 HB3 HIS 31 2HB HIS 31 -3.527 -0.533 4.297 213 HD1 HIS 31 HD1 HIS 31 -0.427 -1.707 6.146 214 HD2 HIS 31 HD2 HIS 31 -2.784 -2.732 2.881 215 HE1 HIS 31 HE1 HIS 31 0.472 -3.911 5.333 216 H GLN 32 H GLN 32 -2.566 0.999 2.020 217 HA GLN 32 HA GLN 32 -0.621 -0.581 0.732 218 HB2 GLN 32 1HB GLN 32 -2.514 1.536 -0.276 219 HB3 GLN 32 2HB GLN 32 -1.430 0.658 -1.346 220 HG2 GLN 32 1HG GLN 32 -2.467 -1.440 -0.722 221 HG3 GLN 32 2HG GLN 32 -3.515 -0.601 0.421 222 HE21 GLN 32 1HE2 GLN 32 -4.439 -2.230 -1.660 223 HE22 GLN 32 2HE2 GLN 32 -5.315 -1.244 -2.776 224 H LYS 33 H LYS 33 -0.576 2.664 1.864 225 HA LYS 33 HA LYS 33 1.569 3.537 0.144 226 HB2 LYS 33 1HB LYS 33 1.568 5.555 1.593 227 HB3 LYS 33 2HB LYS 33 -0.013 5.188 0.917 228 HG2 LYS 33 1HG LYS 33 -0.775 4.300 3.000 229 HG3 LYS 33 2HG LYS 33 0.844 4.412 3.695 230 HD2 LYS 33 1HD LYS 33 -0.405 6.259 4.527 231 HD3 LYS 33 2HD LYS 33 0.722 6.895 3.326 232 HE2 LYS 33 1HE LYS 33 -1.968 6.091 2.376 233 HE3 LYS 33 2HE LYS 33 -1.867 7.544 3.369 234 HZ1 LYS 33 3HZ LYS 33 -1.677 8.044 1.006 235 HZ2 LYS 33 1HZ LYS 33 -0.311 7.053 0.887 236 HZ3 LYS 33 2HZ LYS 33 -0.258 8.456 1.829 237 H ILE 34 H ILE 34 1.342 1.661 2.933 238 HA ILE 34 HA ILE 34 3.722 2.435 4.270 239 HB ILE 34 HB ILE 34 3.469 0.521 5.615 240 HG12 ILE 34 1HG1 ILE 34 1.617 -1.204 4.720 241 HG13 ILE 34 2HG1 ILE 34 2.230 -0.632 3.172 242 HG21 ILE 34 1HG2 ILE 34 1.696 1.635 6.409 243 HG22 ILE 34 2HG2 ILE 34 1.051 1.945 4.798 244 HG23 ILE 34 3HG2 ILE 34 0.741 0.400 5.588 245 HD11 ILE 34 3HD1 ILE 34 4.450 -1.341 3.732 246 HD12 ILE 34 1HD1 ILE 34 3.943 -1.771 5.365 247 HD13 ILE 34 2HD1 ILE 34 3.334 -2.683 3.983 248 H HIS 35 H HIS 35 3.089 0.513 1.481 249 HA HIS 35 HA HIS 35 5.653 -0.840 1.558 250 HB2 HIS 35 1HB HIS 35 3.670 -0.781 -0.720 251 HB3 HIS 35 2HB HIS 35 4.949 -1.960 -0.441 252 HD1 HIS 35 HD1 HIS 35 4.548 -3.695 1.491 253 HD2 HIS 35 HD2 HIS 35 1.293 -1.270 0.605 254 HE1 HIS 35 HE1 HIS 35 2.572 -4.792 2.593 255 H THR 36 H THR 36 4.143 1.873 -0.068 256 HA THR 36 HA THR 36 6.333 2.273 -1.897 257 HB THR 36 HB THR 36 5.172 4.345 -2.534 258 HG1 THR 36 HG1 THR 36 3.513 3.654 -0.331 259 HG21 THR 36 3HG2 THR 36 3.440 3.316 -3.669 260 HG22 THR 36 1HG2 THR 36 3.016 2.285 -2.303 261 HG23 THR 36 2HG2 THR 36 4.458 1.936 -3.257 262 H GLY 37 H GLY 37 5.159 3.808 1.078 263 HA2 GLY 37 1HA GLY 37 6.105 5.455 2.396 264 HA3 GLY 37 2HA GLY 37 7.528 4.436 2.233 265 H GLU 38 H GLU 38 8.668 6.503 2.502 266 HA GLU 38 HA GLU 38 9.145 7.717 -0.114 267 HB2 GLU 38 1HB GLU 38 9.128 9.976 0.802 268 HB3 GLU 38 2HB GLU 38 7.562 9.209 1.029 269 HG2 GLU 38 1HG GLU 38 8.112 8.744 3.353 270 HG3 GLU 38 2HG GLU 38 9.698 9.481 3.133 271 H LYS 39 H LYS 39 11.119 9.239 0.056 272 HA LYS 39 HA LYS 39 13.030 8.579 2.111 273 HB2 LYS 39 1HB LYS 39 14.622 7.444 0.790 274 HB3 LYS 39 2HB LYS 39 13.089 6.660 0.435 275 HG2 LYS 39 1HG LYS 39 14.074 8.880 -1.303 276 HG3 LYS 39 2HG LYS 39 14.708 7.244 -1.496 277 HD2 LYS 39 1HD LYS 39 12.385 6.424 -1.761 278 HD3 LYS 39 2HD LYS 39 11.818 8.094 -1.680 279 HE2 LYS 39 1HE LYS 39 11.954 7.837 -3.946 280 HE3 LYS 39 2HE LYS 39 13.584 8.421 -3.612 281 HZ1 LYS 39 3HZ LYS 39 12.798 5.978 -4.763 282 HZ2 LYS 39 1HZ LYS 39 13.617 5.655 -3.318 283 HZ3 LYS 39 2HZ LYS 39 14.362 6.577 -4.524 284 HA PRO 40 HA PRO 40 14.412 12.623 1.061 285 HB2 PRO 40 1HB PRO 40 16.887 12.545 2.172 286 HB3 PRO 40 2HB PRO 40 15.406 12.660 3.131 287 HG2 PRO 40 1HG PRO 40 17.081 10.257 2.515 288 HG3 PRO 40 2HG PRO 40 16.336 10.737 4.051 289 HD2 PRO 40 1HD PRO 40 15.255 8.854 2.433 290 HD3 PRO 40 2HD PRO 40 14.265 9.926 3.444 291 H SER 41 H SER 41 15.617 13.684 -0.474 292 HA SER 41 HA SER 41 16.999 11.987 -2.397 293 HB2 SER 41 1HB SER 41 15.237 13.778 -2.990 294 HB3 SER 41 2HB SER 41 16.526 14.946 -2.703 295 HG SER 41 HG SER 41 16.624 12.784 -4.542 296 H GLY 42 H GLY 42 18.867 13.404 -3.560 297 HA2 GLY 42 1HA GLY 42 21.065 14.044 -3.391 298 HA3 GLY 42 2HA GLY 42 20.533 15.044 -2.047 299 HA PRO 43 HA PRO 43 21.706 10.904 0.083 300 HB2 PRO 43 1HB PRO 43 22.436 8.813 -1.488 301 HB3 PRO 43 2HB PRO 43 20.759 9.127 -1.024 302 HG2 PRO 43 1HG PRO 43 22.175 9.794 -3.576 303 HG3 PRO 43 2HG PRO 43 20.547 9.132 -3.340 304 HD2 PRO 43 1HD PRO 43 20.993 11.751 -3.863 305 HD3 PRO 43 2HD PRO 43 19.642 11.195 -2.854 306 H SER 44 H SER 44 23.494 11.198 -2.987 307 HA SER 44 HA SER 44 25.760 11.033 -3.398 308 HB2 SER 44 1HB SER 44 25.464 13.191 -1.310 309 HB3 SER 44 2HB SER 44 26.997 12.873 -2.123 310 HG SER 44 HG SER 44 24.597 13.882 -3.168 311 H SER 45 H SER 45 25.127 8.900 -1.844 312 HA SER 45 HA SER 45 26.040 7.309 -0.499 313 HB2 SER 45 1HB SER 45 28.093 7.982 -1.855 314 HB3 SER 45 2HB SER 45 28.565 8.967 -0.470 315 HG SER 45 HG SER 45 28.020 6.185 -0.341 316 H GLY 46 H GLY 46 24.519 9.258 0.760 317 HA2 GLY 46 1HA GLY 46 25.845 10.350 3.041 318 HA3 GLY 46 2HA GLY 46 24.108 10.253 2.797 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -14.249 -28.545 -16.019 2 HA2 GLY 1 1HA GLY 1 -15.896 -27.137 -15.250 3 HA3 GLY 1 2HA GLY 1 -15.435 -27.601 -13.619 4 H SER 2 H SER 2 -14.253 -25.614 -16.330 5 HA SER 2 HA SER 2 -12.928 -23.828 -14.450 6 HB2 SER 2 1HB SER 2 -11.987 -22.752 -16.433 7 HB3 SER 2 2HB SER 2 -11.762 -24.499 -16.527 8 HG SER 2 HG SER 2 -13.906 -24.330 -17.741 9 H SER 3 H SER 3 -15.909 -24.096 -16.029 10 HA SER 3 HA SER 3 -16.531 -21.384 -16.490 11 HB2 SER 3 1HB SER 3 -17.853 -23.160 -17.498 12 HB3 SER 3 2HB SER 3 -18.350 -23.734 -15.907 13 HG SER 3 HG SER 3 -19.922 -22.364 -16.048 14 H GLY 4 H GLY 4 -16.981 -19.782 -15.129 15 HA2 GLY 4 1HA GLY 4 -18.501 -20.009 -12.782 16 HA3 GLY 4 2HA GLY 4 -16.802 -20.070 -12.337 17 H SER 5 H SER 5 -19.410 -18.066 -12.881 18 HA SER 5 HA SER 5 -17.866 -15.753 -13.715 19 HB2 SER 5 1HB SER 5 -19.931 -14.613 -13.921 20 HB3 SER 5 2HB SER 5 -20.268 -16.261 -14.452 21 HG SER 5 HG SER 5 -21.469 -14.912 -12.536 22 H SER 6 H SER 6 -17.714 -13.816 -12.482 23 HA SER 6 HA SER 6 -17.565 -14.337 -9.605 24 HB2 SER 6 1HB SER 6 -16.067 -12.452 -9.481 25 HB3 SER 6 2HB SER 6 -15.559 -13.460 -10.836 26 HG SER 6 HG SER 6 -16.078 -11.917 -12.189 27 H GLY 7 H GLY 7 -20.142 -14.000 -10.607 28 HA2 GLY 7 1HA GLY 7 -21.160 -11.400 -10.555 29 HA3 GLY 7 2HA GLY 7 -22.075 -12.847 -10.162 30 H THR 8 H THR 8 -22.824 -13.022 -8.157 31 HA THR 8 HA THR 8 -22.310 -10.989 -6.231 32 HB THR 8 HB THR 8 -23.748 -13.624 -5.860 33 HG1 THR 8 HG1 THR 8 -25.598 -12.053 -6.067 34 HG21 THR 8 3HG2 THR 8 -23.315 -12.838 -3.703 35 HG22 THR 8 1HG2 THR 8 -24.921 -12.201 -4.056 36 HG23 THR 8 2HG2 THR 8 -23.510 -11.150 -4.177 37 H GLY 9 H GLY 9 -20.791 -10.895 -4.707 38 HA2 GLY 9 1HA GLY 9 -19.712 -13.323 -3.534 39 HA3 GLY 9 2HA GLY 9 -18.568 -12.375 -4.473 40 H GLU 10 H GLU 10 -17.355 -11.069 -3.295 41 HA GLU 10 HA GLU 10 -18.533 -9.448 -1.206 42 HB2 GLU 10 1HB GLU 10 -17.858 -11.673 -0.160 43 HB3 GLU 10 2HB GLU 10 -16.195 -11.209 -0.486 44 HG2 GLU 10 1HG GLU 10 -16.537 -9.175 0.874 45 HG3 GLU 10 2HG GLU 10 -18.156 -9.750 1.267 46 H LYS 11 H LYS 11 -17.775 -7.481 -1.560 47 HA LYS 11 HA LYS 11 -15.427 -7.014 -3.129 48 HB2 LYS 11 1HB LYS 11 -17.596 -5.589 -2.944 49 HB3 LYS 11 2HB LYS 11 -16.822 -4.893 -1.526 50 HG2 LYS 11 1HG LYS 11 -16.124 -3.409 -3.093 51 HG3 LYS 11 2HG LYS 11 -14.814 -4.586 -3.219 52 HD2 LYS 11 1HD LYS 11 -15.774 -5.571 -5.160 53 HD3 LYS 11 2HD LYS 11 -17.279 -4.673 -4.947 54 HE2 LYS 11 1HE LYS 11 -15.644 -2.602 -5.118 55 HE3 LYS 11 2HE LYS 11 -14.646 -3.764 -5.991 56 HZ1 LYS 11 3HZ LYS 11 -16.038 -2.576 -7.525 57 HZ2 LYS 11 1HZ LYS 11 -17.432 -2.984 -6.658 58 HZ3 LYS 11 2HZ LYS 11 -16.552 -4.186 -7.459 59 H ARG 12 H ARG 12 -13.779 -8.016 -1.883 60 HA ARG 12 HA ARG 12 -13.081 -6.618 0.610 61 HB2 ARG 12 1HB ARG 12 -12.678 -9.398 -0.368 62 HB3 ARG 12 2HB ARG 12 -11.422 -8.712 0.653 63 HG2 ARG 12 1HG ARG 12 -13.214 -8.169 2.324 64 HG3 ARG 12 2HG ARG 12 -14.321 -9.119 1.331 65 HD2 ARG 12 1HD ARG 12 -11.736 -10.353 2.125 66 HD3 ARG 12 2HD ARG 12 -12.986 -10.184 3.356 67 HE ARG 12 HE ARG 12 -14.321 -11.320 1.309 68 HH11 ARG 12 1HH1 ARG 12 -11.331 -12.106 2.911 69 HH12 ARG 12 2HH1 ARG 12 -11.477 -13.809 2.630 70 HH21 ARG 12 1HH2 ARG 12 -14.524 -13.560 0.933 71 HH22 ARG 12 2HH2 ARG 12 -13.293 -14.635 1.504 72 H TYR 13 H TYR 13 -11.689 -5.016 0.267 73 HA TYR 13 HA TYR 13 -9.974 -4.870 -1.993 74 HB2 TYR 13 1HB TYR 13 -9.641 -3.262 0.533 75 HB3 TYR 13 2HB TYR 13 -9.232 -2.800 -1.115 76 HD1 TYR 13 HD2 TYR 13 -11.364 -2.879 -2.766 77 HD2 TYR 13 HD1 TYR 13 -11.517 -2.292 1.446 78 HE1 TYR 13 HE2 TYR 13 -13.552 -1.782 -3.004 79 HE2 TYR 13 HE1 TYR 13 -13.707 -1.194 1.219 80 HH TYR 13 HH TYR 13 -15.234 -0.407 -0.201 81 H LYS 14 H LYS 14 -8.479 -6.454 -2.159 82 HA LYS 14 HA LYS 14 -6.849 -7.164 0.152 83 HB2 LYS 14 1HB LYS 14 -7.789 -8.915 -1.372 84 HB3 LYS 14 2HB LYS 14 -6.754 -8.292 -2.651 85 HG2 LYS 14 1HG LYS 14 -4.789 -8.777 -1.190 86 HG3 LYS 14 2HG LYS 14 -5.895 -9.573 -0.068 87 HD2 LYS 14 1HD LYS 14 -6.312 -11.321 -1.510 88 HD3 LYS 14 2HD LYS 14 -5.915 -10.371 -2.944 89 HE2 LYS 14 1HE LYS 14 -4.067 -11.716 -2.825 90 HE3 LYS 14 2HE LYS 14 -3.519 -10.349 -1.856 91 HZ1 LYS 14 3HZ LYS 14 -3.335 -11.645 -0.083 92 HZ2 LYS 14 1HZ LYS 14 -3.623 -12.983 -1.078 93 HZ3 LYS 14 2HZ LYS 14 -4.906 -12.246 -0.259 94 H CYS 15 H CYS 15 -4.873 -6.389 0.503 95 HA CYS 15 HA CYS 15 -3.767 -4.338 -1.081 96 HB2 CYS 15 1HB CYS 15 -3.385 -4.822 1.410 97 HB3 CYS 15 2HB CYS 15 -2.195 -6.005 0.877 98 H ASN 16 H ASN 16 -3.332 -4.877 -3.167 99 HA ASN 16 HA ASN 16 -2.288 -7.260 -4.125 100 HB2 ASN 16 1HB ASN 16 -3.249 -5.245 -5.418 101 HB3 ASN 16 2HB ASN 16 -1.609 -4.605 -5.371 102 HD21 ASN 16 1HD2 ASN 16 0.008 -5.621 -6.541 103 HD22 ASN 16 2HD2 ASN 16 -0.336 -6.771 -7.783 104 H GLU 17 H GLU 17 -0.753 -4.851 -2.282 105 HA GLU 17 HA GLU 17 1.919 -5.276 -3.218 106 HB2 GLU 17 1HB GLU 17 0.846 -3.992 -0.703 107 HB3 GLU 17 2HB GLU 17 2.551 -4.031 -1.133 108 HG2 GLU 17 1HG GLU 17 1.637 -1.904 -1.738 109 HG3 GLU 17 2HG GLU 17 2.022 -2.802 -3.205 110 H CYS 18 H CYS 18 0.514 -5.942 -0.008 111 HA CYS 18 HA CYS 18 2.429 -8.127 0.321 112 HB2 CYS 18 1HB CYS 18 1.743 -8.082 2.694 113 HB3 CYS 18 2HB CYS 18 2.314 -6.511 2.140 114 H GLY 19 H GLY 19 -1.062 -7.502 0.557 115 HA2 GLY 19 1HA GLY 19 -2.457 -9.245 -0.564 116 HA3 GLY 19 2HA GLY 19 -1.489 -10.417 0.319 117 H LYS 20 H LYS 20 -2.197 -7.562 2.042 118 HA LYS 20 HA LYS 20 -3.777 -9.014 3.946 119 HB2 LYS 20 1HB LYS 20 -2.626 -6.279 3.748 120 HB3 LYS 20 2HB LYS 20 -4.000 -6.498 4.823 121 HG2 LYS 20 1HG LYS 20 -2.715 -8.388 5.887 122 HG3 LYS 20 2HG LYS 20 -1.318 -7.846 4.954 123 HD2 LYS 20 1HD LYS 20 -0.962 -6.665 6.874 124 HD3 LYS 20 2HD LYS 20 -1.983 -5.510 6.015 125 HE2 LYS 20 1HE LYS 20 -3.919 -6.822 7.205 126 HE3 LYS 20 2HE LYS 20 -2.637 -7.281 8.324 127 HZ1 LYS 20 3HZ LYS 20 -4.084 -5.039 8.526 128 HZ2 LYS 20 1HZ LYS 20 -2.737 -4.464 7.679 129 HZ3 LYS 20 2HZ LYS 20 -2.532 -5.226 9.175 130 H VAL 21 H VAL 21 -5.732 -7.513 4.853 131 HA VAL 21 HA VAL 21 -7.405 -6.607 2.640 132 HB VAL 21 HB VAL 21 -9.324 -7.979 3.773 133 HG11 VAL 21 1HG1 VAL 21 -7.711 -8.332 1.524 134 HG12 VAL 21 2HG1 VAL 21 -7.822 -9.927 2.271 135 HG13 VAL 21 3HG1 VAL 21 -9.290 -9.055 1.828 136 HG21 VAL 21 3HG2 VAL 21 -6.840 -9.406 4.668 137 HG22 VAL 21 1HG2 VAL 21 -8.256 -8.948 5.615 138 HG23 VAL 21 2HG2 VAL 21 -8.366 -10.261 4.442 139 H PHE 22 H PHE 22 -9.175 -5.306 3.285 140 HA PHE 22 HA PHE 22 -9.347 -4.596 6.115 141 HB2 PHE 22 1HB PHE 22 -9.026 -2.481 3.982 142 HB3 PHE 22 2HB PHE 22 -9.082 -2.243 5.726 143 HD1 PHE 22 HD2 PHE 22 -7.093 -4.058 3.147 144 HD2 PHE 22 HD1 PHE 22 -7.102 -1.979 6.860 145 HE1 PHE 22 HE2 PHE 22 -4.641 -4.225 3.242 146 HE2 PHE 22 HE1 PHE 22 -4.649 -2.141 6.961 147 HZ PHE 22 HZ PHE 22 -3.415 -3.266 5.150 148 H SER 23 H SER 23 -11.375 -4.173 6.764 149 HA SER 23 HA SER 23 -13.585 -4.835 5.257 150 HB2 SER 23 1HB SER 23 -14.934 -3.758 6.989 151 HB3 SER 23 2HB SER 23 -13.592 -4.636 7.722 152 HG SER 23 HG SER 23 -12.506 -2.451 7.555 153 H ARG 24 H ARG 24 -12.075 -1.677 5.681 154 HA ARG 24 HA ARG 24 -13.824 -0.637 3.549 155 HB2 ARG 24 1HB ARG 24 -12.595 1.015 5.758 156 HB3 ARG 24 2HB ARG 24 -13.785 1.533 4.571 157 HG2 ARG 24 1HG ARG 24 -15.189 -0.424 5.674 158 HG3 ARG 24 2HG ARG 24 -14.135 -0.063 7.042 159 HD2 ARG 24 1HD ARG 24 -16.221 1.216 7.144 160 HD3 ARG 24 2HD ARG 24 -14.818 2.270 6.976 161 HE ARG 24 HE ARG 24 -15.565 2.901 4.888 162 HH11 ARG 24 1HH1 ARG 24 -17.444 0.219 6.070 163 HH12 ARG 24 2HH1 ARG 24 -18.651 0.352 4.834 164 HH21 ARG 24 1HH2 ARG 24 -17.148 3.086 3.256 165 HH22 ARG 24 2HH2 ARG 24 -18.482 1.982 3.234 166 H ASN 25 H ASN 25 -12.889 0.733 2.011 167 HA ASN 25 HA ASN 25 -10.192 0.151 1.355 168 HB2 ASN 25 1HB ASN 25 -10.600 1.229 -0.639 169 HB3 ASN 25 2HB ASN 25 -12.251 0.862 -0.147 170 HD21 ASN 25 1HD2 ASN 25 -10.017 3.286 -0.930 171 HD22 ASN 25 2HD2 ASN 25 -11.022 4.653 -0.602 172 H SER 26 H SER 26 -11.779 2.845 2.936 173 HA SER 26 HA SER 26 -9.718 4.735 2.785 174 HB2 SER 26 1HB SER 26 -11.775 4.343 4.973 175 HB3 SER 26 2HB SER 26 -10.800 5.794 4.739 176 HG SER 26 HG SER 26 -13.083 5.511 3.750 177 H GLN 27 H GLN 27 -9.978 1.839 4.602 178 HA GLN 27 HA GLN 27 -7.903 2.643 6.491 179 HB2 GLN 27 1HB GLN 27 -9.549 0.121 6.262 180 HB3 GLN 27 2HB GLN 27 -8.305 0.377 7.479 181 HG2 GLN 27 1HG GLN 27 -10.883 1.886 7.147 182 HG3 GLN 27 2HG GLN 27 -10.417 0.822 8.473 183 HE21 GLN 27 1HE2 GLN 27 -11.295 3.517 8.701 184 HE22 GLN 27 2HE2 GLN 27 -10.000 4.429 9.391 185 H LEU 28 H LEU 28 -8.355 0.738 3.627 186 HA LEU 28 HA LEU 28 -5.894 -0.726 3.882 187 HB2 LEU 28 1HB LEU 28 -7.385 -1.908 2.614 188 HB3 LEU 28 2HB LEU 28 -8.040 -0.464 1.844 189 HG LEU 28 HG LEU 28 -5.824 -0.355 0.571 190 HD11 LEU 28 1HD1 LEU 28 -4.546 -1.890 1.930 191 HD12 LEU 28 2HD1 LEU 28 -4.695 -2.526 0.292 192 HD13 LEU 28 3HD1 LEU 28 -5.689 -3.190 1.589 193 HD21 LEU 28 3HD2 LEU 28 -6.862 -1.348 -1.167 194 HD22 LEU 28 1HD2 LEU 28 -8.224 -1.413 -0.049 195 HD23 LEU 28 2HD2 LEU 28 -7.193 -2.828 -0.265 196 H SER 29 H SER 29 -7.022 2.030 1.951 197 HA SER 29 HA SER 29 -4.799 2.477 0.387 198 HB2 SER 29 1HB SER 29 -7.061 3.733 0.453 199 HB3 SER 29 2HB SER 29 -6.286 4.768 1.653 200 HG SER 29 HG SER 29 -4.646 5.179 0.081 201 H GLN 30 H GLN 30 -5.389 3.565 3.708 202 HA GLN 30 HA GLN 30 -3.029 5.078 3.985 203 HB2 GLN 30 1HB GLN 30 -4.865 3.755 5.969 204 HB3 GLN 30 2HB GLN 30 -3.432 4.634 6.484 205 HG2 GLN 30 1HG GLN 30 -4.334 6.609 5.200 206 HG3 GLN 30 2HG GLN 30 -5.839 5.703 5.046 207 HE21 GLN 30 1HE2 GLN 30 -3.544 6.977 7.402 208 HE22 GLN 30 2HE2 GLN 30 -4.699 7.226 8.662 209 H HIS 31 H HIS 31 -3.557 1.712 3.872 210 HA HIS 31 HA HIS 31 -1.070 1.087 5.269 211 HB2 HIS 31 1HB HIS 31 -2.796 -0.411 5.859 212 HB3 HIS 31 2HB HIS 31 -3.325 -0.592 4.189 213 HD1 HIS 31 HD1 HIS 31 -0.635 -1.714 6.563 214 HD2 HIS 31 HD2 HIS 31 -2.017 -2.555 2.737 215 HE1 HIS 31 HE1 HIS 31 0.561 -3.812 5.863 216 H GLN 32 H GLN 32 -2.552 0.669 2.068 217 HA GLN 32 HA GLN 32 -0.437 -0.617 0.800 218 HB2 GLN 32 1HB GLN 32 -2.358 1.378 -0.411 219 HB3 GLN 32 2HB GLN 32 -1.398 0.202 -1.298 220 HG2 GLN 32 1HG GLN 32 -2.624 -1.614 -0.380 221 HG3 GLN 32 2HG GLN 32 -3.444 -0.556 0.767 222 HE21 GLN 32 1HE2 GLN 32 -4.239 -2.362 -1.593 223 HE22 GLN 32 2HE2 GLN 32 -5.352 -1.383 -2.480 224 H LYS 33 H LYS 33 -0.631 2.570 1.975 225 HA LYS 33 HA LYS 33 1.242 3.762 0.160 226 HB2 LYS 33 1HB LYS 33 1.304 5.583 1.926 227 HB3 LYS 33 2HB LYS 33 -0.269 5.255 1.209 228 HG2 LYS 33 1HG LYS 33 -1.128 4.404 3.135 229 HG3 LYS 33 2HG LYS 33 0.435 3.814 3.703 230 HD2 LYS 33 1HD LYS 33 -0.258 5.643 5.103 231 HD3 LYS 33 2HD LYS 33 1.111 6.169 4.120 232 HE2 LYS 33 1HE LYS 33 -1.635 6.638 3.079 233 HE3 LYS 33 2HE LYS 33 -1.061 7.655 4.400 234 HZ1 LYS 33 3HZ LYS 33 0.966 8.042 2.956 235 HZ2 LYS 33 1HZ LYS 33 -0.473 8.776 2.452 236 HZ3 LYS 33 2HZ LYS 33 0.075 7.372 1.684 237 H ILE 34 H ILE 34 1.465 1.813 2.977 238 HA ILE 34 HA ILE 34 4.009 2.641 3.904 239 HB ILE 34 HB ILE 34 3.967 0.828 5.348 240 HG12 ILE 34 1HG1 ILE 34 2.200 -0.620 3.363 241 HG13 ILE 34 2HG1 ILE 34 3.912 -0.927 3.636 242 HG21 ILE 34 1HG2 ILE 34 1.514 2.164 4.845 243 HG22 ILE 34 2HG2 ILE 34 1.151 0.497 5.291 244 HG23 ILE 34 3HG2 ILE 34 2.118 1.506 6.367 245 HD11 ILE 34 3HD1 ILE 34 3.541 -2.061 5.560 246 HD12 ILE 34 1HD1 ILE 34 2.106 -1.121 5.972 247 HD13 ILE 34 2HD1 ILE 34 2.010 -2.389 4.749 248 H HIS 35 H HIS 35 2.993 0.674 1.264 249 HA HIS 35 HA HIS 35 5.554 -0.642 0.952 250 HB2 HIS 35 1HB HIS 35 3.131 -0.601 -0.860 251 HB3 HIS 35 2HB HIS 35 4.547 -1.627 -1.071 252 HD1 HIS 35 HD1 HIS 35 4.991 -3.265 1.123 253 HD2 HIS 35 HD2 HIS 35 1.149 -1.799 0.530 254 HE1 HIS 35 HE1 HIS 35 3.483 -4.772 2.456 255 H THR 36 H THR 36 3.795 2.055 -0.438 256 HA THR 36 HA THR 36 5.732 2.484 -2.537 257 HB THR 36 HB THR 36 3.194 3.078 -2.567 258 HG1 THR 36 HG1 THR 36 4.260 3.674 -4.353 259 HG21 THR 36 3HG2 THR 36 4.059 5.791 -1.735 260 HG22 THR 36 1HG2 THR 36 3.754 4.616 -0.456 261 HG23 THR 36 2HG2 THR 36 2.480 5.017 -1.607 262 H GLY 37 H GLY 37 5.875 2.955 0.687 263 HA2 GLY 37 1HA GLY 37 7.449 4.084 1.948 264 HA3 GLY 37 2HA GLY 37 8.060 4.806 0.467 265 H GLU 38 H GLU 38 7.300 5.858 3.228 266 HA GLU 38 HA GLU 38 5.338 7.883 2.403 267 HB2 GLU 38 1HB GLU 38 5.136 6.435 4.568 268 HB3 GLU 38 2HB GLU 38 6.321 7.560 5.216 269 HG2 GLU 38 1HG GLU 38 3.929 8.102 5.713 270 HG3 GLU 38 2HG GLU 38 4.861 9.397 4.963 271 H LYS 39 H LYS 39 5.752 10.085 2.673 272 HA LYS 39 HA LYS 39 8.405 10.924 3.521 273 HB2 LYS 39 1HB LYS 39 8.408 10.373 1.007 274 HB3 LYS 39 2HB LYS 39 7.408 11.809 0.822 275 HG2 LYS 39 1HG LYS 39 9.156 13.190 1.761 276 HG3 LYS 39 2HG LYS 39 10.152 11.764 2.064 277 HD2 LYS 39 1HD LYS 39 9.176 12.354 -0.703 278 HD3 LYS 39 2HD LYS 39 10.580 13.209 -0.059 279 HE2 LYS 39 1HE LYS 39 11.620 11.423 -1.031 280 HE3 LYS 39 2HE LYS 39 11.341 10.767 0.582 281 HZ1 LYS 39 3HZ LYS 39 9.302 10.371 -1.495 282 HZ2 LYS 39 1HZ LYS 39 9.679 9.401 -0.161 283 HZ3 LYS 39 2HZ LYS 39 10.691 9.405 -1.516 284 HA PRO 40 HA PRO 40 6.022 14.272 5.121 285 HB2 PRO 40 1HB PRO 40 8.056 15.993 5.641 286 HB3 PRO 40 2HB PRO 40 7.732 14.563 6.627 287 HG2 PRO 40 1HG PRO 40 9.756 14.948 4.455 288 HG3 PRO 40 2HG PRO 40 9.941 14.151 6.029 289 HD2 PRO 40 1HD PRO 40 9.572 12.768 3.730 290 HD3 PRO 40 2HD PRO 40 8.961 12.198 5.297 291 H SER 41 H SER 41 7.445 14.226 2.146 292 HA SER 41 HA SER 41 7.766 16.776 1.243 293 HB2 SER 41 1HB SER 41 6.440 14.442 -0.149 294 HB3 SER 41 2HB SER 41 6.872 15.943 -0.968 295 HG SER 41 HG SER 41 8.938 15.435 -0.850 296 H GLY 42 H GLY 42 6.300 18.145 -0.081 297 HA2 GLY 42 1HA GLY 42 4.303 19.250 -0.462 298 HA3 GLY 42 2HA GLY 42 3.465 17.942 0.359 299 HA PRO 43 HA PRO 43 4.036 21.890 3.030 300 HB2 PRO 43 1HB PRO 43 1.685 23.152 2.527 301 HB3 PRO 43 2HB PRO 43 3.162 23.470 1.609 302 HG2 PRO 43 1HG PRO 43 0.828 21.734 0.902 303 HG3 PRO 43 2HG PRO 43 1.730 22.867 -0.121 304 HD2 PRO 43 1HD PRO 43 2.149 20.192 -0.189 305 HD3 PRO 43 2HD PRO 43 3.444 21.370 -0.485 306 H SER 44 H SER 44 3.790 20.293 4.668 307 HA SER 44 HA SER 44 1.406 20.495 6.160 308 HB2 SER 44 1HB SER 44 0.806 18.844 4.247 309 HB3 SER 44 2HB SER 44 1.808 17.696 5.135 310 HG SER 44 HG SER 44 -0.518 17.743 5.649 311 H SER 45 H SER 45 1.438 18.969 8.077 312 HA SER 45 HA SER 45 3.806 17.581 8.765 313 HB2 SER 45 1HB SER 45 4.568 20.015 8.841 314 HB3 SER 45 2HB SER 45 3.496 20.204 10.228 315 HG SER 45 HG SER 45 5.958 19.283 10.224 316 H GLY 46 H GLY 46 3.469 16.295 10.511 317 HA2 GLY 46 1HA GLY 46 1.744 16.882 12.663 318 HA3 GLY 46 2HA GLY 46 0.873 15.917 11.481 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -7.866 -24.647 -19.372 2 HA2 GLY 1 1HA GLY 1 -5.973 -24.695 -17.174 3 HA3 GLY 1 2HA GLY 1 -6.207 -23.119 -17.915 4 H SER 2 H SER 2 -7.116 -24.929 -15.382 5 HA SER 2 HA SER 2 -9.789 -23.691 -15.257 6 HB2 SER 2 1HB SER 2 -10.367 -25.564 -13.669 7 HB3 SER 2 2HB SER 2 -10.077 -26.073 -15.332 8 HG SER 2 HG SER 2 -8.998 -27.197 -13.394 9 H SER 3 H SER 3 -9.058 -21.804 -14.269 10 HA SER 3 HA SER 3 -7.405 -21.823 -11.944 11 HB2 SER 3 1HB SER 3 -7.824 -19.909 -13.667 12 HB3 SER 3 2HB SER 3 -9.218 -19.534 -12.653 13 HG SER 3 HG SER 3 -6.573 -19.790 -11.662 14 H GLY 4 H GLY 4 -7.968 -21.412 -9.793 15 HA2 GLY 4 1HA GLY 4 -10.837 -21.690 -9.156 16 HA3 GLY 4 2HA GLY 4 -9.629 -22.668 -8.336 17 H SER 5 H SER 5 -11.607 -20.431 -7.557 18 HA SER 5 HA SER 5 -9.895 -19.264 -5.567 19 HB2 SER 5 1HB SER 5 -9.389 -17.716 -7.351 20 HB3 SER 5 2HB SER 5 -11.101 -17.513 -7.720 21 HG SER 5 HG SER 5 -9.570 -16.342 -5.765 22 H SER 6 H SER 6 -11.026 -18.993 -3.754 23 HA SER 6 HA SER 6 -13.887 -19.413 -3.808 24 HB2 SER 6 1HB SER 6 -12.102 -20.303 -2.080 25 HB3 SER 6 2HB SER 6 -12.402 -18.752 -1.295 26 HG SER 6 HG SER 6 -14.644 -19.316 -1.290 27 H GLY 7 H GLY 7 -15.166 -17.741 -4.259 28 HA2 GLY 7 1HA GLY 7 -14.381 -15.057 -3.364 29 HA3 GLY 7 2HA GLY 7 -15.586 -15.419 -4.590 30 H THR 8 H THR 8 -14.995 -14.836 -1.268 31 HA THR 8 HA THR 8 -17.865 -15.209 -0.702 32 HB THR 8 HB THR 8 -16.595 -16.880 0.531 33 HG1 THR 8 HG1 THR 8 -17.198 -14.981 2.512 34 HG21 THR 8 3HG2 THR 8 -14.879 -16.326 2.106 35 HG22 THR 8 1HG2 THR 8 -15.140 -14.599 1.867 36 HG23 THR 8 2HG2 THR 8 -14.454 -15.575 0.568 37 H GLY 9 H GLY 9 -14.933 -13.394 0.153 38 HA2 GLY 9 1HA GLY 9 -16.317 -11.405 1.656 39 HA3 GLY 9 2HA GLY 9 -14.664 -11.299 1.069 40 H GLU 10 H GLU 10 -18.030 -10.704 0.303 41 HA GLU 10 HA GLU 10 -17.925 -9.806 -2.278 42 HB2 GLU 10 1HB GLU 10 -19.551 -9.001 0.092 43 HB3 GLU 10 2HB GLU 10 -19.666 -8.031 -1.370 44 HG2 GLU 10 1HG GLU 10 -19.957 -10.982 -1.587 45 HG3 GLU 10 2HG GLU 10 -21.293 -10.038 -0.932 46 H LYS 11 H LYS 11 -17.566 -7.685 0.570 47 HA LYS 11 HA LYS 11 -16.051 -5.816 -1.125 48 HB2 LYS 11 1HB LYS 11 -18.059 -4.826 -0.190 49 HB3 LYS 11 2HB LYS 11 -17.595 -5.333 1.429 50 HG2 LYS 11 1HG LYS 11 -15.696 -3.831 1.389 51 HG3 LYS 11 2HG LYS 11 -16.075 -3.365 -0.271 52 HD2 LYS 11 1HD LYS 11 -17.986 -2.994 2.028 53 HD3 LYS 11 2HD LYS 11 -16.836 -1.757 1.516 54 HE2 LYS 11 1HE LYS 11 -17.840 -1.712 -0.696 55 HE3 LYS 11 2HE LYS 11 -18.949 -3.004 -0.240 56 HZ1 LYS 11 3HZ LYS 11 -19.719 -1.426 1.569 57 HZ2 LYS 11 1HZ LYS 11 -20.168 -1.041 -0.016 58 HZ3 LYS 11 2HZ LYS 11 -18.896 -0.211 0.728 59 H ARG 12 H ARG 12 -14.115 -7.078 -0.833 60 HA ARG 12 HA ARG 12 -12.803 -6.476 1.725 61 HB2 ARG 12 1HB ARG 12 -12.802 -9.119 0.268 62 HB3 ARG 12 2HB ARG 12 -11.616 -8.705 1.498 63 HG2 ARG 12 1HG ARG 12 -13.662 -8.246 2.998 64 HG3 ARG 12 2HG ARG 12 -14.552 -9.183 1.797 65 HD2 ARG 12 1HD ARG 12 -12.742 -10.961 2.111 66 HD3 ARG 12 2HD ARG 12 -12.281 -10.061 3.555 67 HE ARG 12 HE ARG 12 -14.525 -11.790 3.264 68 HH11 ARG 12 1HH1 ARG 12 -13.419 -8.898 4.856 69 HH12 ARG 12 2HH1 ARG 12 -14.505 -9.064 6.196 70 HH21 ARG 12 1HH2 ARG 12 -15.959 -12.019 5.022 71 HH22 ARG 12 2HH2 ARG 12 -15.949 -10.840 6.290 72 H TYR 13 H TYR 13 -11.571 -4.828 0.915 73 HA TYR 13 HA TYR 13 -10.207 -4.951 -1.576 74 HB2 TYR 13 1HB TYR 13 -9.610 -3.157 0.784 75 HB3 TYR 13 2HB TYR 13 -9.138 -2.886 -0.890 76 HD1 TYR 13 HD2 TYR 13 -10.797 -2.192 -2.553 77 HD2 TYR 13 HD1 TYR 13 -11.860 -2.712 1.534 78 HE1 TYR 13 HE2 TYR 13 -12.882 -0.947 -2.943 79 HE2 TYR 13 HE1 TYR 13 -13.949 -1.469 1.155 80 HH TYR 13 HH TYR 13 -14.820 -0.284 -2.074 81 H LYS 14 H LYS 14 -8.658 -6.397 -1.942 82 HA LYS 14 HA LYS 14 -6.850 -7.191 0.204 83 HB2 LYS 14 1HB LYS 14 -7.978 -8.818 -1.427 84 HB3 LYS 14 2HB LYS 14 -6.829 -8.232 -2.622 85 HG2 LYS 14 1HG LYS 14 -5.100 -8.827 -0.706 86 HG3 LYS 14 2HG LYS 14 -6.390 -9.938 -0.239 87 HD2 LYS 14 1HD LYS 14 -5.240 -11.274 -1.693 88 HD3 LYS 14 2HD LYS 14 -6.354 -10.500 -2.822 89 HE2 LYS 14 1HE LYS 14 -3.690 -9.265 -2.256 90 HE3 LYS 14 2HE LYS 14 -3.814 -10.617 -3.381 91 HZ1 LYS 14 3HZ LYS 14 -4.099 -8.870 -4.793 92 HZ2 LYS 14 1HZ LYS 14 -4.843 -7.886 -3.635 93 HZ3 LYS 14 2HZ LYS 14 -5.715 -9.135 -4.369 94 H CYS 15 H CYS 15 -4.889 -6.354 0.447 95 HA CYS 15 HA CYS 15 -3.900 -4.278 -1.162 96 HB2 CYS 15 1HB CYS 15 -3.310 -4.732 1.250 97 HB3 CYS 15 2HB CYS 15 -2.259 -6.025 0.678 98 H ASN 16 H ASN 16 -2.932 -4.323 -3.072 99 HA ASN 16 HA ASN 16 -2.154 -6.824 -4.268 100 HB2 ASN 16 1HB ASN 16 -3.255 -4.786 -5.426 101 HB3 ASN 16 2HB ASN 16 -1.627 -4.115 -5.464 102 HD21 ASN 16 1HD2 ASN 16 -3.350 -7.118 -6.233 103 HD22 ASN 16 2HD2 ASN 16 -2.481 -7.443 -7.691 104 H GLU 17 H GLU 17 -0.656 -5.309 -1.974 105 HA GLU 17 HA GLU 17 2.018 -5.410 -3.200 106 HB2 GLU 17 1HB GLU 17 1.089 -4.013 -0.685 107 HB3 GLU 17 2HB GLU 17 2.754 -4.061 -1.248 108 HG2 GLU 17 1HG GLU 17 0.523 -2.945 -2.916 109 HG3 GLU 17 2HG GLU 17 1.429 -1.969 -1.760 110 H CYS 18 H CYS 18 0.507 -6.017 -0.023 111 HA CYS 18 HA CYS 18 2.478 -8.123 0.466 112 HB2 CYS 18 1HB CYS 18 1.564 -8.083 2.791 113 HB3 CYS 18 2HB CYS 18 2.236 -6.542 2.267 114 H GLY 19 H GLY 19 -1.049 -7.637 0.579 115 HA2 GLY 19 1HA GLY 19 -2.328 -9.425 -0.620 116 HA3 GLY 19 2HA GLY 19 -1.346 -10.564 0.290 117 H LYS 20 H LYS 20 -2.149 -7.810 2.081 118 HA LYS 20 HA LYS 20 -3.807 -9.340 3.851 119 HB2 LYS 20 1HB LYS 20 -2.610 -6.624 3.832 120 HB3 LYS 20 2HB LYS 20 -4.054 -6.842 4.811 121 HG2 LYS 20 1HG LYS 20 -2.693 -8.964 5.649 122 HG3 LYS 20 2HG LYS 20 -1.333 -7.949 5.165 123 HD2 LYS 20 1HD LYS 20 -1.728 -6.405 6.795 124 HD3 LYS 20 2HD LYS 20 -3.471 -6.682 6.786 125 HE2 LYS 20 1HE LYS 20 -3.292 -8.583 8.134 126 HE3 LYS 20 2HE LYS 20 -1.571 -8.769 7.801 127 HZ1 LYS 20 3HZ LYS 20 -1.380 -6.508 8.983 128 HZ2 LYS 20 1HZ LYS 20 -1.602 -7.898 9.922 129 HZ3 LYS 20 2HZ LYS 20 -2.908 -6.869 9.612 130 H VAL 21 H VAL 21 -5.768 -7.795 4.755 131 HA VAL 21 HA VAL 21 -7.370 -6.876 2.490 132 HB VAL 21 HB VAL 21 -9.345 -8.166 3.617 133 HG11 VAL 21 1HG1 VAL 21 -7.648 -10.083 2.165 134 HG12 VAL 21 2HG1 VAL 21 -9.287 -9.525 1.821 135 HG13 VAL 21 3HG1 VAL 21 -7.901 -8.534 1.362 136 HG21 VAL 21 3HG2 VAL 21 -8.438 -10.455 4.369 137 HG22 VAL 21 1HG2 VAL 21 -6.919 -9.601 4.637 138 HG23 VAL 21 2HG2 VAL 21 -8.370 -9.114 5.512 139 H PHE 22 H PHE 22 -9.168 -5.558 3.089 140 HA PHE 22 HA PHE 22 -9.326 -4.739 5.888 141 HB2 PHE 22 1HB PHE 22 -8.975 -2.717 3.670 142 HB3 PHE 22 2HB PHE 22 -9.062 -2.397 5.399 143 HD1 PHE 22 HD2 PHE 22 -7.028 -4.286 2.915 144 HD2 PHE 22 HD1 PHE 22 -7.109 -2.141 6.590 145 HE1 PHE 22 HE2 PHE 22 -4.578 -4.457 3.065 146 HE2 PHE 22 HE1 PHE 22 -4.659 -2.308 6.746 147 HZ PHE 22 HZ PHE 22 -3.391 -3.468 4.982 148 H SER 23 H SER 23 -11.330 -4.087 6.519 149 HA SER 23 HA SER 23 -13.568 -4.869 5.092 150 HB2 SER 23 1HB SER 23 -13.708 -4.524 7.472 151 HB3 SER 23 2HB SER 23 -13.309 -2.815 7.299 152 HG SER 23 HG SER 23 -15.508 -3.694 5.865 153 H ARG 24 H ARG 24 -12.199 -1.605 5.420 154 HA ARG 24 HA ARG 24 -13.771 -0.811 3.057 155 HB2 ARG 24 1HB ARG 24 -12.898 1.014 5.302 156 HB3 ARG 24 2HB ARG 24 -13.938 1.427 3.945 157 HG2 ARG 24 1HG ARG 24 -14.778 -0.774 5.759 158 HG3 ARG 24 2HG ARG 24 -14.928 0.894 6.316 159 HD2 ARG 24 1HD ARG 24 -16.170 1.390 4.195 160 HD3 ARG 24 2HD ARG 24 -16.168 -0.343 3.866 161 HE ARG 24 HE ARG 24 -17.802 -0.619 5.452 162 HH11 ARG 24 1HH1 ARG 24 -16.420 2.562 5.752 163 HH12 ARG 24 2HH1 ARG 24 -17.609 3.115 6.884 164 HH21 ARG 24 1HH2 ARG 24 -19.374 0.098 6.942 165 HH22 ARG 24 2HH2 ARG 24 -19.289 1.712 7.560 166 H ASN 25 H ASN 25 -12.778 0.629 1.583 167 HA ASN 25 HA ASN 25 -10.041 0.134 1.119 168 HB2 ASN 25 1HB ASN 25 -11.377 0.593 -0.781 169 HB3 ASN 25 2HB ASN 25 -12.006 2.081 -0.078 170 HD21 ASN 25 1HD2 ASN 25 -9.382 0.586 -1.752 171 HD22 ASN 25 2HD2 ASN 25 -8.510 2.034 -2.113 172 H SER 26 H SER 26 -11.763 2.896 2.490 173 HA SER 26 HA SER 26 -9.732 4.761 2.602 174 HB2 SER 26 1HB SER 26 -12.219 4.928 3.347 175 HB3 SER 26 2HB SER 26 -11.612 4.414 4.922 176 HG SER 26 HG SER 26 -10.027 6.233 4.542 177 H GLN 27 H GLN 27 -10.072 1.824 4.372 178 HA GLN 27 HA GLN 27 -8.075 2.595 6.350 179 HB2 GLN 27 1HB GLN 27 -9.830 0.179 5.993 180 HB3 GLN 27 2HB GLN 27 -8.487 0.173 7.128 181 HG2 GLN 27 1HG GLN 27 -11.005 1.778 7.196 182 HG3 GLN 27 2HG GLN 27 -10.309 0.740 8.439 183 HE21 GLN 27 1HE2 GLN 27 -11.116 3.706 8.141 184 HE22 GLN 27 2HE2 GLN 27 -9.786 4.543 8.859 185 H LEU 28 H LEU 28 -8.374 0.768 3.419 186 HA LEU 28 HA LEU 28 -5.920 -0.692 3.748 187 HB2 LEU 28 1HB LEU 28 -7.314 -1.847 2.363 188 HB3 LEU 28 2HB LEU 28 -7.977 -0.386 1.634 189 HG LEU 28 HG LEU 28 -5.725 -0.168 0.444 190 HD11 LEU 28 1HD1 LEU 28 -4.586 -2.363 0.097 191 HD12 LEU 28 2HD1 LEU 28 -5.540 -3.007 1.433 192 HD13 LEU 28 3HD1 LEU 28 -4.401 -1.690 1.717 193 HD21 LEU 28 3HD2 LEU 28 -6.957 -2.631 -0.574 194 HD22 LEU 28 1HD2 LEU 28 -6.707 -1.073 -1.361 195 HD23 LEU 28 2HD2 LEU 28 -8.081 -1.303 -0.280 196 H SER 29 H SER 29 -6.965 2.105 1.826 197 HA SER 29 HA SER 29 -4.651 2.608 0.415 198 HB2 SER 29 1HB SER 29 -6.564 3.916 -0.099 199 HB3 SER 29 2HB SER 29 -6.711 4.492 1.561 200 HG SER 29 HG SER 29 -5.646 5.852 -0.230 201 H GLN 30 H GLN 30 -5.469 3.609 3.712 202 HA GLN 30 HA GLN 30 -3.144 5.146 4.164 203 HB2 GLN 30 1HB GLN 30 -3.744 5.063 6.507 204 HB3 GLN 30 2HB GLN 30 -5.196 5.297 5.542 205 HG2 GLN 30 1HG GLN 30 -6.011 3.207 6.004 206 HG3 GLN 30 2HG GLN 30 -4.412 2.534 6.318 207 HE21 GLN 30 1HE2 GLN 30 -3.962 2.142 8.356 208 HE22 GLN 30 2HE2 GLN 30 -4.681 2.908 9.727 209 H HIS 31 H HIS 31 -3.626 1.792 3.934 210 HA HIS 31 HA HIS 31 -1.272 1.142 5.535 211 HB2 HIS 31 1HB HIS 31 -2.915 -0.442 5.961 212 HB3 HIS 31 2HB HIS 31 -3.481 -0.455 4.293 213 HD1 HIS 31 HD1 HIS 31 -0.634 -1.741 6.420 214 HD2 HIS 31 HD2 HIS 31 -2.376 -2.400 2.706 215 HE1 HIS 31 HE1 HIS 31 0.470 -3.813 5.517 216 H GLN 32 H GLN 32 -2.461 0.661 2.213 217 HA GLN 32 HA GLN 32 -0.254 -0.536 1.093 218 HB2 GLN 32 1HB GLN 32 -1.967 1.569 -0.237 219 HB3 GLN 32 2HB GLN 32 -0.999 0.345 -1.048 220 HG2 GLN 32 1HG GLN 32 -2.405 -1.408 -0.144 221 HG3 GLN 32 2HG GLN 32 -3.348 -0.215 0.748 222 HE21 GLN 32 1HE2 GLN 32 -3.698 -2.181 -1.659 223 HE22 GLN 32 2HE2 GLN 32 -4.626 -1.240 -2.771 224 H LYS 33 H LYS 33 -0.725 2.829 1.928 225 HA LYS 33 HA LYS 33 1.259 4.085 0.503 226 HB2 LYS 33 1HB LYS 33 1.310 5.759 2.237 227 HB3 LYS 33 2HB LYS 33 -0.346 5.203 2.039 228 HG2 LYS 33 1HG LYS 33 0.046 3.672 3.993 229 HG3 LYS 33 2HG LYS 33 1.575 4.516 4.246 230 HD2 LYS 33 1HD LYS 33 0.058 6.651 4.173 231 HD3 LYS 33 2HD LYS 33 -1.223 5.506 4.578 232 HE2 LYS 33 1HE LYS 33 -0.467 6.282 6.649 233 HE3 LYS 33 2HE LYS 33 0.329 4.721 6.455 234 HZ1 LYS 33 3HZ LYS 33 1.475 7.352 6.627 235 HZ2 LYS 33 1HZ LYS 33 2.088 6.443 5.338 236 HZ3 LYS 33 2HZ LYS 33 2.183 5.843 6.916 237 H ILE 34 H ILE 34 1.597 1.747 3.001 238 HA ILE 34 HA ILE 34 4.230 2.403 3.842 239 HB ILE 34 HB ILE 34 4.251 0.372 5.019 240 HG12 ILE 34 1HG1 ILE 34 2.020 -0.637 3.244 241 HG13 ILE 34 2HG1 ILE 34 3.717 -1.060 3.048 242 HG21 ILE 34 1HG2 ILE 34 1.494 0.268 5.439 243 HG22 ILE 34 2HG2 ILE 34 2.677 1.213 6.341 244 HG23 ILE 34 3HG2 ILE 34 1.834 1.934 4.971 245 HD11 ILE 34 3HD1 ILE 34 2.320 -2.759 4.225 246 HD12 ILE 34 1HD1 ILE 34 3.745 -2.224 5.114 247 HD13 ILE 34 2HD1 ILE 34 2.151 -1.609 5.551 248 H HIS 35 H HIS 35 2.913 0.429 1.259 249 HA HIS 35 HA HIS 35 5.493 -0.672 0.553 250 HB2 HIS 35 1HB HIS 35 2.888 -0.805 -0.978 251 HB3 HIS 35 2HB HIS 35 4.313 -1.807 -1.238 252 HD1 HIS 35 HD1 HIS 35 4.965 -3.300 1.011 253 HD2 HIS 35 HD2 HIS 35 1.047 -1.976 0.614 254 HE1 HIS 35 HE1 HIS 35 3.602 -4.766 2.533 255 H THR 36 H THR 36 3.425 1.955 -0.435 256 HA THR 36 HA THR 36 5.331 2.636 -2.576 257 HB THR 36 HB THR 36 3.082 2.312 -3.439 258 HG1 THR 36 HG1 THR 36 4.035 4.984 -3.329 259 HG21 THR 36 3HG2 THR 36 2.250 4.487 -1.515 260 HG22 THR 36 1HG2 THR 36 1.838 2.779 -1.373 261 HG23 THR 36 2HG2 THR 36 1.220 3.725 -2.727 262 H GLY 37 H GLY 37 6.580 4.366 -2.292 263 HA2 GLY 37 1HA GLY 37 6.038 6.869 -1.519 264 HA3 GLY 37 2HA GLY 37 6.151 6.055 0.034 265 H GLU 38 H GLU 38 8.217 4.405 -0.135 266 HA GLU 38 HA GLU 38 10.461 6.225 -0.337 267 HB2 GLU 38 1HB GLU 38 10.064 4.561 1.562 268 HB3 GLU 38 2HB GLU 38 10.578 3.315 0.433 269 HG2 GLU 38 1HG GLU 38 12.552 3.748 1.473 270 HG3 GLU 38 2HG GLU 38 12.654 4.895 0.138 271 H LYS 39 H LYS 39 9.380 5.732 -2.829 272 HA LYS 39 HA LYS 39 11.665 4.850 -4.265 273 HB2 LYS 39 1HB LYS 39 10.532 2.961 -5.465 274 HB3 LYS 39 2HB LYS 39 10.914 2.630 -3.780 275 HG2 LYS 39 1HG LYS 39 8.796 1.824 -3.843 276 HG3 LYS 39 2HG LYS 39 8.444 3.502 -3.423 277 HD2 LYS 39 1HD LYS 39 6.989 3.238 -5.163 278 HD3 LYS 39 2HD LYS 39 8.415 3.768 -6.060 279 HE2 LYS 39 1HE LYS 39 7.998 0.856 -5.553 280 HE3 LYS 39 2HE LYS 39 7.066 1.653 -6.819 281 HZ1 LYS 39 3HZ LYS 39 9.226 2.449 -7.732 282 HZ2 LYS 39 1HZ LYS 39 9.020 0.772 -7.801 283 HZ3 LYS 39 2HZ LYS 39 10.018 1.453 -6.619 284 HA PRO 40 HA PRO 40 9.838 7.463 -7.287 285 HB2 PRO 40 1HB PRO 40 11.032 6.529 -9.539 286 HB3 PRO 40 2HB PRO 40 11.889 7.481 -8.322 287 HG2 PRO 40 1HG PRO 40 11.857 4.516 -8.729 288 HG3 PRO 40 2HG PRO 40 13.228 5.580 -8.366 289 HD2 PRO 40 1HD PRO 40 12.006 4.081 -6.471 290 HD3 PRO 40 2HD PRO 40 12.730 5.663 -6.117 291 H SER 41 H SER 41 7.735 7.240 -7.750 292 HA SER 41 HA SER 41 6.565 4.783 -8.601 293 HB2 SER 41 1HB SER 41 5.395 7.576 -8.652 294 HB3 SER 41 2HB SER 41 4.489 6.068 -8.791 295 HG SER 41 HG SER 41 4.353 6.564 -6.681 296 H GLY 42 H GLY 42 7.283 4.035 -10.531 297 HA2 GLY 42 1HA GLY 42 7.742 5.732 -12.790 298 HA3 GLY 42 2HA GLY 42 7.752 3.975 -12.789 299 HA PRO 43 HA PRO 43 3.710 5.951 -14.522 300 HB2 PRO 43 1HB PRO 43 4.371 6.337 -17.127 301 HB3 PRO 43 2HB PRO 43 4.548 7.592 -15.895 302 HG2 PRO 43 1HG PRO 43 6.617 5.758 -17.042 303 HG3 PRO 43 2HG PRO 43 6.731 7.492 -16.689 304 HD2 PRO 43 1HD PRO 43 7.759 5.600 -15.047 305 HD3 PRO 43 2HD PRO 43 7.110 7.137 -14.443 306 H SER 44 H SER 44 2.222 4.766 -15.752 307 HA SER 44 HA SER 44 3.207 2.156 -16.704 308 HB2 SER 44 1HB SER 44 1.809 1.961 -14.689 309 HB3 SER 44 2HB SER 44 0.504 2.820 -15.508 310 HG SER 44 HG SER 44 0.978 0.950 -17.143 311 H SER 45 H SER 45 3.528 3.028 -18.813 312 HA SER 45 HA SER 45 1.110 2.958 -20.417 313 HB2 SER 45 1HB SER 45 1.246 5.329 -19.915 314 HB3 SER 45 2HB SER 45 2.943 5.368 -20.393 315 HG SER 45 HG SER 45 0.836 5.750 -21.922 316 H GLY 46 H GLY 46 1.562 2.787 -22.726 317 HA2 GLY 46 1HA GLY 46 4.285 2.354 -23.578 318 HA3 GLY 46 2HA GLY 46 3.349 0.873 -23.435 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -31.676 -26.003 -9.565 2 HA2 GLY 1 1HA GLY 1 -32.966 -26.696 -7.245 3 HA3 GLY 1 2HA GLY 1 -31.614 -27.814 -7.346 4 H SER 2 H SER 2 -32.621 -24.650 -6.551 5 HA SER 2 HA SER 2 -29.823 -23.830 -6.126 6 HB2 SER 2 1HB SER 2 -31.274 -22.432 -7.689 7 HB3 SER 2 2HB SER 2 -32.195 -21.965 -6.259 8 HG SER 2 HG SER 2 -29.391 -21.689 -6.323 9 H SER 3 H SER 3 -29.748 -24.959 -4.117 10 HA SER 3 HA SER 3 -31.559 -24.164 -2.001 11 HB2 SER 3 1HB SER 3 -29.123 -25.963 -1.941 12 HB3 SER 3 2HB SER 3 -30.257 -25.737 -0.610 13 HG SER 3 HG SER 3 -31.456 -26.409 -2.982 14 H GLY 4 H GLY 4 -28.008 -24.107 -2.396 15 HA2 GLY 4 1HA GLY 4 -27.945 -21.472 -1.137 16 HA3 GLY 4 2HA GLY 4 -27.086 -22.765 -0.314 17 H SER 5 H SER 5 -27.402 -21.691 -3.702 18 HA SER 5 HA SER 5 -24.497 -22.003 -3.981 19 HB2 SER 5 1HB SER 5 -25.648 -23.251 -5.646 20 HB3 SER 5 2HB SER 5 -26.741 -21.913 -5.999 21 HG SER 5 HG SER 5 -24.883 -20.763 -6.778 22 H SER 6 H SER 6 -24.068 -20.009 -2.860 23 HA SER 6 HA SER 6 -24.605 -17.625 -4.509 24 HB2 SER 6 1HB SER 6 -24.234 -17.809 -1.510 25 HB3 SER 6 2HB SER 6 -24.391 -16.302 -2.412 26 HG SER 6 HG SER 6 -26.360 -18.231 -2.802 27 H GLY 7 H GLY 7 -22.920 -15.864 -4.143 28 HA2 GLY 7 1HA GLY 7 -20.271 -16.777 -3.425 29 HA3 GLY 7 2HA GLY 7 -20.497 -16.508 -5.146 30 H THR 8 H THR 8 -22.087 -14.277 -5.182 31 HA THR 8 HA THR 8 -20.168 -12.239 -4.489 32 HB THR 8 HB THR 8 -21.416 -12.165 -6.630 33 HG1 THR 8 HG1 THR 8 -21.647 -9.964 -6.552 34 HG21 THR 8 3HG2 THR 8 -23.726 -11.656 -6.737 35 HG22 THR 8 1HG2 THR 8 -23.812 -11.333 -5.006 36 HG23 THR 8 2HG2 THR 8 -23.581 -12.983 -5.584 37 H GLY 9 H GLY 9 -20.385 -10.616 -2.991 38 HA2 GLY 9 1HA GLY 9 -22.293 -9.465 -1.645 39 HA3 GLY 9 2HA GLY 9 -22.447 -11.072 -0.950 40 H GLU 10 H GLU 10 -19.473 -9.381 -1.851 41 HA GLU 10 HA GLU 10 -18.806 -8.518 0.755 42 HB2 GLU 10 1HB GLU 10 -18.627 -11.148 0.767 43 HB3 GLU 10 2HB GLU 10 -17.095 -10.838 -0.037 44 HG2 GLU 10 1HG GLU 10 -16.418 -9.411 1.846 45 HG3 GLU 10 2HG GLU 10 -17.934 -9.796 2.659 46 H LYS 11 H LYS 11 -17.693 -6.762 0.244 47 HA LYS 11 HA LYS 11 -15.926 -6.801 -2.092 48 HB2 LYS 11 1HB LYS 11 -17.397 -4.686 -0.606 49 HB3 LYS 11 2HB LYS 11 -15.875 -4.229 -1.359 50 HG2 LYS 11 1HG LYS 11 -16.964 -5.463 -3.436 51 HG3 LYS 11 2HG LYS 11 -18.450 -5.012 -2.598 52 HD2 LYS 11 1HD LYS 11 -16.328 -2.951 -2.952 53 HD3 LYS 11 2HD LYS 11 -17.319 -3.393 -4.345 54 HE2 LYS 11 1HE LYS 11 -18.585 -1.697 -3.482 55 HE3 LYS 11 2HE LYS 11 -19.283 -3.066 -2.619 56 HZ1 LYS 11 3HZ LYS 11 -17.499 -2.494 -0.864 57 HZ2 LYS 11 1HZ LYS 11 -18.905 -1.556 -0.943 58 HZ3 LYS 11 2HZ LYS 11 -17.466 -0.979 -1.618 59 H ARG 12 H ARG 12 -14.257 -8.020 -1.048 60 HA ARG 12 HA ARG 12 -12.896 -6.769 1.202 61 HB2 ARG 12 1HB ARG 12 -11.650 -8.770 1.402 62 HB3 ARG 12 2HB ARG 12 -13.289 -9.271 1.010 63 HG2 ARG 12 1HG ARG 12 -12.161 -10.606 -0.429 64 HG3 ARG 12 2HG ARG 12 -12.318 -9.180 -1.457 65 HD2 ARG 12 1HD ARG 12 -10.076 -8.442 -0.595 66 HD3 ARG 12 2HD ARG 12 -9.931 -10.021 0.175 67 HE ARG 12 HE ARG 12 -9.644 -9.420 -2.625 68 HH11 ARG 12 1HH1 ARG 12 -10.341 -11.888 -0.271 69 HH12 ARG 12 2HH1 ARG 12 -9.870 -13.194 -1.308 70 HH21 ARG 12 1HH2 ARG 12 -9.021 -11.130 -3.999 71 HH22 ARG 12 2HH2 ARG 12 -9.118 -12.761 -3.428 72 H TYR 13 H TYR 13 -11.188 -5.481 0.999 73 HA TYR 13 HA TYR 13 -10.017 -5.112 -1.650 74 HB2 TYR 13 1HB TYR 13 -9.339 -3.472 0.776 75 HB3 TYR 13 2HB TYR 13 -9.277 -3.009 -0.920 76 HD1 TYR 13 HD2 TYR 13 -11.851 -3.590 -1.991 77 HD2 TYR 13 HD1 TYR 13 -10.874 -2.170 1.899 78 HE1 TYR 13 HE2 TYR 13 -14.089 -2.586 -1.802 79 HE2 TYR 13 HE1 TYR 13 -13.109 -1.163 2.099 80 HH TYR 13 HH TYR 13 -15.349 -1.447 1.137 81 H LYS 14 H LYS 14 -8.553 -6.718 -1.966 82 HA LYS 14 HA LYS 14 -6.684 -7.481 0.098 83 HB2 LYS 14 1HB LYS 14 -7.651 -9.087 -1.575 84 HB3 LYS 14 2HB LYS 14 -6.691 -8.289 -2.813 85 HG2 LYS 14 1HG LYS 14 -4.680 -8.827 -1.305 86 HG3 LYS 14 2HG LYS 14 -5.773 -9.963 -0.510 87 HD2 LYS 14 1HD LYS 14 -5.897 -11.335 -2.340 88 HD3 LYS 14 2HD LYS 14 -5.598 -10.021 -3.480 89 HE2 LYS 14 1HE LYS 14 -3.433 -10.834 -1.597 90 HE3 LYS 14 2HE LYS 14 -3.766 -11.843 -3.004 91 HZ1 LYS 14 3HZ LYS 14 -2.666 -10.422 -4.272 92 HZ2 LYS 14 1HZ LYS 14 -2.265 -9.508 -2.906 93 HZ3 LYS 14 2HZ LYS 14 -3.659 -9.141 -3.791 94 H CYS 15 H CYS 15 -4.669 -6.747 0.376 95 HA CYS 15 HA CYS 15 -3.760 -4.503 -1.157 96 HB2 CYS 15 1HB CYS 15 -3.379 -4.784 1.306 97 HB3 CYS 15 2HB CYS 15 -2.240 -6.073 0.932 98 H ASN 16 H ASN 16 -3.321 -5.114 -3.242 99 HA ASN 16 HA ASN 16 -2.085 -7.405 -4.144 100 HB2 ASN 16 1HB ASN 16 -3.100 -5.840 -5.684 101 HB3 ASN 16 2HB ASN 16 -1.921 -4.600 -5.264 102 HD21 ASN 16 1HD2 ASN 16 -1.134 -4.349 -7.313 103 HD22 ASN 16 2HD2 ASN 16 -0.209 -5.560 -8.126 104 H GLU 17 H GLU 17 -0.728 -4.876 -2.313 105 HA GLU 17 HA GLU 17 1.979 -5.143 -3.186 106 HB2 GLU 17 1HB GLU 17 1.079 -4.081 -0.513 107 HB3 GLU 17 2HB GLU 17 2.544 -3.681 -1.398 108 HG2 GLU 17 1HG GLU 17 -0.194 -3.043 -2.447 109 HG3 GLU 17 2HG GLU 17 0.700 -1.951 -1.390 110 H CYS 18 H CYS 18 0.336 -6.123 -0.174 111 HA CYS 18 HA CYS 18 2.413 -8.182 0.179 112 HB2 CYS 18 1HB CYS 18 1.726 -8.139 2.596 113 HB3 CYS 18 2HB CYS 18 2.455 -6.644 2.018 114 H GLY 19 H GLY 19 -1.063 -7.542 0.520 115 HA2 GLY 19 1HA GLY 19 -2.419 -9.383 -0.578 116 HA3 GLY 19 2HA GLY 19 -1.517 -10.459 0.479 117 H LYS 20 H LYS 20 -1.869 -7.806 2.290 118 HA LYS 20 HA LYS 20 -3.653 -8.897 4.107 119 HB2 LYS 20 1HB LYS 20 -2.738 -6.081 3.600 120 HB3 LYS 20 2HB LYS 20 -3.922 -6.428 4.854 121 HG2 LYS 20 1HG LYS 20 -1.413 -8.014 4.831 122 HG3 LYS 20 2HG LYS 20 -1.335 -6.332 5.362 123 HD2 LYS 20 1HD LYS 20 -3.361 -8.260 6.464 124 HD3 LYS 20 2HD LYS 20 -1.742 -8.112 7.150 125 HE2 LYS 20 1HE LYS 20 -2.167 -5.672 7.439 126 HE3 LYS 20 2HE LYS 20 -3.828 -5.948 6.916 127 HZ1 LYS 20 3HZ LYS 20 -2.901 -7.659 9.064 128 HZ2 LYS 20 1HZ LYS 20 -4.381 -6.862 8.874 129 HZ3 LYS 20 2HZ LYS 20 -3.037 -6.020 9.462 130 H VAL 21 H VAL 21 -5.669 -7.390 4.804 131 HA VAL 21 HA VAL 21 -7.302 -6.708 2.491 132 HB VAL 21 HB VAL 21 -9.192 -8.099 3.743 133 HG11 VAL 21 1HG1 VAL 21 -7.420 -9.776 2.059 134 HG12 VAL 21 2HG1 VAL 21 -9.157 -9.485 1.940 135 HG13 VAL 21 3HG1 VAL 21 -8.016 -8.269 1.364 136 HG21 VAL 21 3HG2 VAL 21 -7.868 -8.964 5.528 137 HG22 VAL 21 1HG2 VAL 21 -8.218 -10.303 4.435 138 HG23 VAL 21 2HG2 VAL 21 -6.630 -9.537 4.411 139 H PHE 22 H PHE 22 -9.170 -5.471 3.012 140 HA PHE 22 HA PHE 22 -9.556 -4.654 5.771 141 HB2 PHE 22 1HB PHE 22 -8.977 -2.552 3.684 142 HB3 PHE 22 2HB PHE 22 -9.167 -2.324 5.419 143 HD1 PHE 22 HD2 PHE 22 -7.022 -4.155 2.983 144 HD2 PHE 22 HD1 PHE 22 -7.284 -2.145 6.725 145 HE1 PHE 22 HE2 PHE 22 -4.591 -4.389 3.275 146 HE2 PHE 22 HE1 PHE 22 -4.852 -2.375 7.023 147 HZ PHE 22 HZ PHE 22 -3.503 -3.500 5.297 148 H SER 23 H SER 23 -11.622 -4.081 6.192 149 HA SER 23 HA SER 23 -13.610 -4.595 4.233 150 HB2 SER 23 1HB SER 23 -13.725 -3.471 7.032 151 HB3 SER 23 2HB SER 23 -15.170 -3.683 6.043 152 HG SER 23 HG SER 23 -13.621 -5.557 7.332 153 H ARG 24 H ARG 24 -12.251 -1.650 5.615 154 HA ARG 24 HA ARG 24 -13.921 -0.053 3.797 155 HB2 ARG 24 1HB ARG 24 -12.680 0.465 6.449 156 HB3 ARG 24 2HB ARG 24 -12.792 1.821 5.335 157 HG2 ARG 24 1HG ARG 24 -15.194 1.526 5.176 158 HG3 ARG 24 2HG ARG 24 -15.105 0.114 6.232 159 HD2 ARG 24 1HD ARG 24 -13.895 1.854 7.826 160 HD3 ARG 24 2HD ARG 24 -14.842 3.002 6.881 161 HE ARG 24 HE ARG 24 -16.603 1.031 7.652 162 HH11 ARG 24 1HH1 ARG 24 -14.510 3.317 9.236 163 HH12 ARG 24 2HH1 ARG 24 -15.516 3.465 10.639 164 HH21 ARG 24 1HH2 ARG 24 -17.936 1.216 9.494 165 HH22 ARG 24 2HH2 ARG 24 -17.464 2.268 10.785 166 H ASN 25 H ASN 25 -13.031 0.893 2.082 167 HA ASN 25 HA ASN 25 -10.438 0.401 1.225 168 HB2 ASN 25 1HB ASN 25 -12.250 2.698 0.448 169 HB3 ASN 25 2HB ASN 25 -10.832 2.169 -0.454 170 HD21 ASN 25 1HD2 ASN 25 -10.864 0.049 -1.386 171 HD22 ASN 25 2HD2 ASN 25 -12.368 -0.674 -1.835 172 H SER 26 H SER 26 -11.739 3.145 3.020 173 HA SER 26 HA SER 26 -9.468 4.797 2.893 174 HB2 SER 26 1HB SER 26 -11.642 4.607 4.990 175 HB3 SER 26 2HB SER 26 -10.436 5.893 4.927 176 HG SER 26 HG SER 26 -11.987 6.765 3.749 177 H GLN 27 H GLN 27 -9.996 1.872 4.532 178 HA GLN 27 HA GLN 27 -7.963 2.401 6.558 179 HB2 GLN 27 1HB GLN 27 -9.748 0.016 6.060 180 HB3 GLN 27 2HB GLN 27 -8.537 0.083 7.333 181 HG2 GLN 27 1HG GLN 27 -10.545 2.263 7.202 182 HG3 GLN 27 2HG GLN 27 -11.065 0.679 7.776 183 HE21 GLN 27 1HE2 GLN 27 -11.313 1.024 9.895 184 HE22 GLN 27 2HE2 GLN 27 -10.072 1.581 10.960 185 H LEU 28 H LEU 28 -8.399 0.729 3.544 186 HA LEU 28 HA LEU 28 -5.986 -0.835 3.797 187 HB2 LEU 28 1HB LEU 28 -7.491 -1.951 2.486 188 HB3 LEU 28 2HB LEU 28 -8.107 -0.474 1.748 189 HG LEU 28 HG LEU 28 -5.873 -0.380 0.502 190 HD11 LEU 28 1HD1 LEU 28 -4.996 -2.775 0.150 191 HD12 LEU 28 2HD1 LEU 28 -5.765 -3.124 1.697 192 HD13 LEU 28 3HD1 LEU 28 -4.500 -1.899 1.598 193 HD21 LEU 28 3HD2 LEU 28 -8.297 -1.386 -0.158 194 HD22 LEU 28 1HD2 LEU 28 -7.269 -2.791 -0.438 195 HD23 LEU 28 2HD2 LEU 28 -6.932 -1.273 -1.271 196 H SER 29 H SER 29 -7.041 2.010 1.961 197 HA SER 29 HA SER 29 -4.747 2.434 0.455 198 HB2 SER 29 1HB SER 29 -6.909 3.670 0.204 199 HB3 SER 29 2HB SER 29 -6.499 4.594 1.649 200 HG SER 29 HG SER 29 -5.578 5.858 0.230 201 H GLN 30 H GLN 30 -5.517 3.533 3.734 202 HA GLN 30 HA GLN 30 -3.186 5.068 4.123 203 HB2 GLN 30 1HB GLN 30 -3.742 5.019 6.478 204 HB3 GLN 30 2HB GLN 30 -5.210 5.239 5.536 205 HG2 GLN 30 1HG GLN 30 -5.866 2.982 5.879 206 HG3 GLN 30 2HG GLN 30 -4.303 2.573 6.584 207 HE21 GLN 30 1HE2 GLN 30 -7.363 4.124 7.091 208 HE22 GLN 30 2HE2 GLN 30 -7.222 4.303 8.804 209 H HIS 31 H HIS 31 -3.646 1.715 3.931 210 HA HIS 31 HA HIS 31 -1.277 1.089 5.519 211 HB2 HIS 31 1HB HIS 31 -2.951 -0.484 5.944 212 HB3 HIS 31 2HB HIS 31 -3.452 -0.552 4.258 213 HD1 HIS 31 HD1 HIS 31 -0.618 -1.692 6.494 214 HD2 HIS 31 HD2 HIS 31 -2.308 -2.561 2.799 215 HE1 HIS 31 HE1 HIS 31 0.539 -3.778 5.699 216 H GLN 32 H GLN 32 -2.466 0.756 2.190 217 HA GLN 32 HA GLN 32 -0.265 -0.487 1.056 218 HB2 GLN 32 1HB GLN 32 -2.219 1.501 -0.091 219 HB3 GLN 32 2HB GLN 32 -0.986 0.716 -1.068 220 HG2 GLN 32 1HG GLN 32 -1.967 -1.482 -0.203 221 HG3 GLN 32 2HG GLN 32 -3.344 -0.508 0.310 222 HE21 GLN 32 1HE2 GLN 32 -3.957 -2.391 -1.387 223 HE22 GLN 32 2HE2 GLN 32 -4.208 -1.786 -2.985 224 H LYS 33 H LYS 33 -0.759 2.885 1.882 225 HA LYS 33 HA LYS 33 1.225 4.150 0.474 226 HB2 LYS 33 1HB LYS 33 1.286 5.807 2.236 227 HB3 LYS 33 2HB LYS 33 -0.373 5.270 2.002 228 HG2 LYS 33 1HG LYS 33 -0.002 3.695 3.941 229 HG3 LYS 33 2HG LYS 33 1.503 4.568 4.240 230 HD2 LYS 33 1HD LYS 33 -1.210 5.877 4.094 231 HD3 LYS 33 2HD LYS 33 -0.444 5.358 5.597 232 HE2 LYS 33 1HE LYS 33 1.220 6.964 5.452 233 HE3 LYS 33 2HE LYS 33 1.024 7.156 3.711 234 HZ1 LYS 33 3HZ LYS 33 -0.717 8.195 5.867 235 HZ2 LYS 33 1HZ LYS 33 -1.232 8.113 4.257 236 HZ3 LYS 33 2HZ LYS 33 0.102 9.067 4.671 237 H ILE 34 H ILE 34 1.585 1.750 2.885 238 HA ILE 34 HA ILE 34 4.211 2.425 3.761 239 HB ILE 34 HB ILE 34 4.245 0.377 4.906 240 HG12 ILE 34 1HG1 ILE 34 2.069 -0.599 3.042 241 HG13 ILE 34 2HG1 ILE 34 3.764 -1.071 2.973 242 HG21 ILE 34 1HG2 ILE 34 2.677 1.283 6.209 243 HG22 ILE 34 2HG2 ILE 34 1.747 1.860 4.827 244 HG23 ILE 34 3HG2 ILE 34 1.539 0.205 5.400 245 HD11 ILE 34 3HD1 ILE 34 3.510 -2.592 4.575 246 HD12 ILE 34 1HD1 ILE 34 2.563 -1.502 5.587 247 HD13 ILE 34 2HD1 ILE 34 1.779 -2.408 4.292 248 H HIS 35 H HIS 35 2.908 0.422 1.182 249 HA HIS 35 HA HIS 35 5.513 -0.595 0.441 250 HB2 HIS 35 1HB HIS 35 2.904 -0.826 -1.068 251 HB3 HIS 35 2HB HIS 35 4.353 -1.798 -1.306 252 HD1 HIS 35 HD1 HIS 35 5.002 -3.364 0.818 253 HD2 HIS 35 HD2 HIS 35 1.125 -1.876 0.699 254 HE1 HIS 35 HE1 HIS 35 3.682 -4.799 2.406 255 H THR 36 H THR 36 4.910 2.329 0.382 256 HA THR 36 HA THR 36 5.135 2.925 -2.473 257 HB THR 36 HB THR 36 4.819 5.254 -1.875 258 HG1 THR 36 HG1 THR 36 4.781 5.929 0.225 259 HG21 THR 36 3HG2 THR 36 2.767 4.109 -2.144 260 HG22 THR 36 1HG2 THR 36 2.591 5.057 -0.668 261 HG23 THR 36 2HG2 THR 36 2.910 3.325 -0.572 262 H GLY 37 H GLY 37 7.012 3.413 -3.419 263 HA2 GLY 37 1HA GLY 37 9.231 3.927 -3.705 264 HA3 GLY 37 2HA GLY 37 9.120 4.831 -2.202 265 H GLU 38 H GLU 38 10.772 2.444 -3.666 266 HA GLU 38 HA GLU 38 12.079 1.595 -1.323 267 HB2 GLU 38 1HB GLU 38 9.849 0.344 -1.180 268 HB3 GLU 38 2HB GLU 38 10.419 -0.599 -2.549 269 HG2 GLU 38 1HG GLU 38 10.822 -1.752 -0.451 270 HG3 GLU 38 2HG GLU 38 12.336 -1.349 -1.259 271 H LYS 39 H LYS 39 14.078 1.345 -2.037 272 HA LYS 39 HA LYS 39 14.563 0.591 -4.803 273 HB2 LYS 39 1HB LYS 39 16.884 1.201 -4.356 274 HB3 LYS 39 2HB LYS 39 15.796 2.484 -3.841 275 HG2 LYS 39 1HG LYS 39 17.170 2.419 -2.038 276 HG3 LYS 39 2HG LYS 39 15.982 1.218 -1.527 277 HD2 LYS 39 1HD LYS 39 17.960 0.104 -1.124 278 HD3 LYS 39 2HD LYS 39 17.573 -0.453 -2.754 279 HE2 LYS 39 1HE LYS 39 19.911 0.155 -2.625 280 HE3 LYS 39 2HE LYS 39 19.055 1.284 -3.674 281 HZ1 LYS 39 3HZ LYS 39 19.716 1.800 -0.825 282 HZ2 LYS 39 1HZ LYS 39 19.007 2.890 -1.908 283 HZ3 LYS 39 2HZ LYS 39 20.604 2.385 -2.141 284 HA PRO 40 HA PRO 40 15.486 -3.631 -3.971 285 HB2 PRO 40 1HB PRO 40 17.134 -4.145 -6.066 286 HB3 PRO 40 2HB PRO 40 15.387 -3.947 -6.245 287 HG2 PRO 40 1HG PRO 40 17.578 -1.970 -6.748 288 HG3 PRO 40 2HG PRO 40 16.132 -2.309 -7.718 289 HD2 PRO 40 1HD PRO 40 16.298 -0.188 -6.043 290 HD3 PRO 40 2HD PRO 40 14.771 -1.035 -6.364 291 H SER 41 H SER 41 18.335 -1.747 -5.015 292 HA SER 41 HA SER 41 20.407 -1.518 -4.081 293 HB2 SER 41 1HB SER 41 18.934 -1.724 -1.889 294 HB3 SER 41 2HB SER 41 19.743 -3.286 -1.764 295 HG SER 41 HG SER 41 21.690 -1.758 -2.263 296 H GLY 42 H GLY 42 19.837 -3.532 -5.960 297 HA2 GLY 42 1HA GLY 42 21.618 -5.713 -5.060 298 HA3 GLY 42 2HA GLY 42 20.337 -5.922 -6.245 299 HA PRO 43 HA PRO 43 24.230 -5.423 -8.635 300 HB2 PRO 43 1HB PRO 43 23.538 -7.225 -10.544 301 HB3 PRO 43 2HB PRO 43 24.297 -7.687 -9.016 302 HG2 PRO 43 1HG PRO 43 21.409 -7.774 -9.799 303 HG3 PRO 43 2HG PRO 43 22.366 -8.978 -8.916 304 HD2 PRO 43 1HD PRO 43 20.691 -7.252 -7.673 305 HD3 PRO 43 2HD PRO 43 22.186 -7.842 -6.919 306 H SER 44 H SER 44 24.075 -3.495 -9.634 307 HA SER 44 HA SER 44 21.836 -2.951 -11.421 308 HB2 SER 44 1HB SER 44 22.726 -0.650 -11.481 309 HB3 SER 44 2HB SER 44 22.475 -1.203 -9.826 310 HG SER 44 HG SER 44 24.515 -0.898 -9.486 311 H SER 45 H SER 45 22.647 -1.476 -13.390 312 HA SER 45 HA SER 45 24.112 -3.276 -15.076 313 HB2 SER 45 1HB SER 45 22.290 -2.119 -16.093 314 HB3 SER 45 2HB SER 45 22.887 -0.554 -15.542 315 HG SER 45 HG SER 45 24.504 -2.135 -17.202 316 H GLY 46 H GLY 46 26.251 -3.418 -14.715 317 HA2 GLY 46 1HA GLY 46 27.812 -0.942 -14.986 318 HA3 GLY 46 2HA GLY 46 28.126 -2.001 -13.620 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -17.440 -22.056 -24.197 2 HA2 GLY 1 1HA GLY 1 -17.999 -23.180 -21.877 3 HA3 GLY 1 2HA GLY 1 -16.471 -22.417 -21.462 4 H SER 2 H SER 2 -19.597 -22.042 -21.007 5 HA SER 2 HA SER 2 -19.371 -19.141 -20.794 6 HB2 SER 2 1HB SER 2 -20.453 -19.363 -22.933 7 HB3 SER 2 2HB SER 2 -21.588 -20.552 -22.293 8 HG SER 2 HG SER 2 -22.699 -18.685 -22.245 9 H SER 3 H SER 3 -20.121 -18.448 -18.899 10 HA SER 3 HA SER 3 -22.409 -19.558 -17.609 11 HB2 SER 3 1HB SER 3 -20.429 -21.197 -17.155 12 HB3 SER 3 2HB SER 3 -19.883 -19.951 -16.032 13 HG SER 3 HG SER 3 -21.329 -20.640 -14.690 14 H GLY 4 H GLY 4 -22.674 -18.585 -15.359 15 HA2 GLY 4 1HA GLY 4 -21.284 -16.005 -15.119 16 HA3 GLY 4 2HA GLY 4 -23.040 -16.029 -15.178 17 H SER 5 H SER 5 -20.485 -15.841 -13.143 18 HA SER 5 HA SER 5 -22.135 -16.621 -10.863 19 HB2 SER 5 1HB SER 5 -20.264 -17.834 -9.804 20 HB3 SER 5 2HB SER 5 -20.760 -18.599 -11.314 21 HG SER 5 HG SER 5 -18.997 -17.510 -12.324 22 H SER 6 H SER 6 -22.281 -14.803 -9.734 23 HA SER 6 HA SER 6 -20.004 -13.560 -8.592 24 HB2 SER 6 1HB SER 6 -20.218 -11.342 -9.652 25 HB3 SER 6 2HB SER 6 -19.777 -12.581 -10.827 26 HG SER 6 HG SER 6 -21.729 -10.936 -11.068 27 H GLY 7 H GLY 7 -20.668 -12.928 -6.653 28 HA2 GLY 7 1HA GLY 7 -23.522 -12.432 -6.229 29 HA3 GLY 7 2HA GLY 7 -22.328 -12.744 -4.978 30 H THR 8 H THR 8 -24.173 -10.398 -6.486 31 HA THR 8 HA THR 8 -22.545 -8.125 -6.394 32 HB THR 8 HB THR 8 -24.741 -8.147 -7.503 33 HG1 THR 8 HG1 THR 8 -24.421 -6.219 -5.427 34 HG21 THR 8 3HG2 THR 8 -26.785 -8.187 -6.349 35 HG22 THR 8 1HG2 THR 8 -26.014 -7.891 -4.792 36 HG23 THR 8 2HG2 THR 8 -25.828 -9.455 -5.585 37 H GLY 9 H GLY 9 -21.722 -6.977 -4.768 38 HA2 GLY 9 1HA GLY 9 -23.019 -6.394 -2.353 39 HA3 GLY 9 2HA GLY 9 -21.971 -7.779 -2.080 40 H GLU 10 H GLU 10 -20.129 -7.193 -1.164 41 HA GLU 10 HA GLU 10 -18.868 -4.680 -2.050 42 HB2 GLU 10 1HB GLU 10 -19.658 -4.426 0.224 43 HB3 GLU 10 2HB GLU 10 -18.876 -5.926 0.702 44 HG2 GLU 10 1HG GLU 10 -16.792 -4.994 0.743 45 HG3 GLU 10 2HG GLU 10 -17.199 -3.762 -0.450 46 H LYS 11 H LYS 11 -16.880 -4.840 -2.861 47 HA LYS 11 HA LYS 11 -15.614 -7.434 -2.996 48 HB2 LYS 11 1HB LYS 11 -14.146 -6.472 -4.596 49 HB3 LYS 11 2HB LYS 11 -15.738 -5.797 -4.919 50 HG2 LYS 11 1HG LYS 11 -14.925 -3.855 -3.390 51 HG3 LYS 11 2HG LYS 11 -13.319 -4.480 -3.775 52 HD2 LYS 11 1HD LYS 11 -15.263 -4.010 -5.989 53 HD3 LYS 11 2HD LYS 11 -14.436 -2.628 -5.266 54 HE2 LYS 11 1HE LYS 11 -13.041 -5.068 -6.357 55 HE3 LYS 11 2HE LYS 11 -13.289 -3.578 -7.266 56 HZ1 LYS 11 3HZ LYS 11 -11.111 -3.557 -6.318 57 HZ2 LYS 11 1HZ LYS 11 -11.710 -3.897 -4.773 58 HZ3 LYS 11 2HZ LYS 11 -12.044 -2.407 -5.501 59 H ARG 12 H ARG 12 -13.933 -8.130 -1.824 60 HA ARG 12 HA ARG 12 -13.041 -6.584 0.415 61 HB2 ARG 12 1HB ARG 12 -12.053 -9.241 -0.637 62 HB3 ARG 12 2HB ARG 12 -11.636 -8.543 0.922 63 HG2 ARG 12 1HG ARG 12 -14.174 -8.534 1.353 64 HG3 ARG 12 2HG ARG 12 -14.251 -9.665 0.000 65 HD2 ARG 12 1HD ARG 12 -13.110 -11.309 1.135 66 HD3 ARG 12 2HD ARG 12 -12.292 -10.158 2.192 67 HE ARG 12 HE ARG 12 -14.901 -11.343 2.587 68 HH11 ARG 12 1HH1 ARG 12 -12.688 -8.806 3.475 69 HH12 ARG 12 2HH1 ARG 12 -13.444 -8.503 5.004 70 HH21 ARG 12 1HH2 ARG 12 -15.904 -10.954 4.598 71 HH22 ARG 12 2HH2 ARG 12 -15.273 -9.727 5.642 72 H TYR 13 H TYR 13 -11.661 -4.956 0.146 73 HA TYR 13 HA TYR 13 -9.873 -4.723 -2.037 74 HB2 TYR 13 1HB TYR 13 -9.525 -3.229 0.547 75 HB3 TYR 13 2HB TYR 13 -9.206 -2.682 -1.096 76 HD1 TYR 13 HD2 TYR 13 -11.644 -3.204 -2.530 77 HD2 TYR 13 HD1 TYR 13 -11.142 -1.867 1.478 78 HE1 TYR 13 HE2 TYR 13 -13.862 -2.144 -2.612 79 HE2 TYR 13 HE1 TYR 13 -13.359 -0.804 1.407 80 HH TYR 13 HH TYR 13 -15.055 -0.278 -1.441 81 H LYS 14 H LYS 14 -8.406 -6.342 -2.224 82 HA LYS 14 HA LYS 14 -6.821 -7.142 0.085 83 HB2 LYS 14 1HB LYS 14 -7.724 -8.844 -1.491 84 HB3 LYS 14 2HB LYS 14 -6.717 -8.160 -2.760 85 HG2 LYS 14 1HG LYS 14 -4.762 -8.626 -1.136 86 HG3 LYS 14 2HG LYS 14 -5.906 -9.705 -0.334 87 HD2 LYS 14 1HD LYS 14 -6.025 -11.137 -2.141 88 HD3 LYS 14 2HD LYS 14 -5.540 -9.890 -3.293 89 HE2 LYS 14 1HE LYS 14 -3.272 -10.002 -2.579 90 HE3 LYS 14 2HE LYS 14 -3.693 -11.011 -1.195 91 HZ1 LYS 14 3HZ LYS 14 -2.947 -12.587 -2.634 92 HZ2 LYS 14 1HZ LYS 14 -3.432 -11.741 -4.017 93 HZ3 LYS 14 2HZ LYS 14 -4.576 -12.573 -3.091 94 H CYS 15 H CYS 15 -4.878 -6.341 0.524 95 HA CYS 15 HA CYS 15 -3.713 -4.292 -1.044 96 HB2 CYS 15 1HB CYS 15 -3.493 -4.695 1.485 97 HB3 CYS 15 2HB CYS 15 -2.249 -5.867 1.065 98 H ASN 16 H ASN 16 -3.566 -5.384 -3.114 99 HA ASN 16 HA ASN 16 -2.284 -7.630 -3.847 100 HB2 ASN 16 1HB ASN 16 -1.659 -6.546 -5.938 101 HB3 ASN 16 2HB ASN 16 -3.255 -5.998 -5.434 102 HD21 ASN 16 1HD2 ASN 16 -3.609 -3.890 -5.298 103 HD22 ASN 16 2HD2 ASN 16 -2.394 -2.663 -5.358 104 H GLU 17 H GLU 17 -0.804 -4.843 -2.416 105 HA GLU 17 HA GLU 17 1.868 -5.280 -3.163 106 HB2 GLU 17 1HB GLU 17 0.588 -3.906 -0.814 107 HB3 GLU 17 2HB GLU 17 2.336 -4.035 -0.950 108 HG2 GLU 17 1HG GLU 17 1.588 -1.901 -1.785 109 HG3 GLU 17 2HG GLU 17 2.250 -2.869 -3.101 110 H CYS 18 H CYS 18 0.487 -5.914 0.063 111 HA CYS 18 HA CYS 18 2.504 -7.985 0.475 112 HB2 CYS 18 1HB CYS 18 1.598 -7.963 2.836 113 HB3 CYS 18 2HB CYS 18 2.333 -6.456 2.296 114 H GLY 19 H GLY 19 -1.007 -7.574 0.397 115 HA2 GLY 19 1HA GLY 19 -2.290 -9.394 -0.629 116 HA3 GLY 19 2HA GLY 19 -1.242 -10.514 0.230 117 H LYS 20 H LYS 20 -2.306 -7.672 1.875 118 HA LYS 20 HA LYS 20 -3.830 -9.327 3.722 119 HB2 LYS 20 1HB LYS 20 -2.627 -6.599 3.804 120 HB3 LYS 20 2HB LYS 20 -3.994 -6.932 4.860 121 HG2 LYS 20 1HG LYS 20 -2.649 -8.996 5.600 122 HG3 LYS 20 2HG LYS 20 -1.273 -8.177 4.856 123 HD2 LYS 20 1HD LYS 20 -1.100 -7.379 6.993 124 HD3 LYS 20 2HD LYS 20 -2.149 -6.144 6.294 125 HE2 LYS 20 1HE LYS 20 -4.059 -7.027 7.316 126 HE3 LYS 20 2HE LYS 20 -3.282 -8.577 7.634 127 HZ1 LYS 20 3HZ LYS 20 -3.515 -7.217 9.639 128 HZ2 LYS 20 1HZ LYS 20 -2.555 -6.011 8.941 129 HZ3 LYS 20 2HZ LYS 20 -1.891 -7.529 9.281 130 H VAL 21 H VAL 21 -5.776 -7.913 4.723 131 HA VAL 21 HA VAL 21 -7.371 -6.761 2.557 132 HB VAL 21 HB VAL 21 -9.359 -8.115 3.533 133 HG11 VAL 21 1HG1 VAL 21 -8.122 -8.306 1.261 134 HG12 VAL 21 2HG1 VAL 21 -7.445 -9.783 1.950 135 HG13 VAL 21 3HG1 VAL 21 -9.192 -9.611 1.774 136 HG21 VAL 21 3HG2 VAL 21 -8.435 -9.179 5.399 137 HG22 VAL 21 1HG2 VAL 21 -8.519 -10.452 4.181 138 HG23 VAL 21 2HG2 VAL 21 -6.982 -9.658 4.523 139 H PHE 22 H PHE 22 -9.199 -5.528 3.295 140 HA PHE 22 HA PHE 22 -9.253 -4.904 6.153 141 HB2 PHE 22 1HB PHE 22 -9.091 -2.751 4.038 142 HB3 PHE 22 2HB PHE 22 -9.115 -2.524 5.784 143 HD1 PHE 22 HD2 PHE 22 -7.122 -4.238 3.141 144 HD2 PHE 22 HD1 PHE 22 -7.121 -2.208 6.882 145 HE1 PHE 22 HE2 PHE 22 -4.663 -4.315 3.178 146 HE2 PHE 22 HE1 PHE 22 -4.662 -2.281 6.925 147 HZ PHE 22 HZ PHE 22 -3.430 -3.337 5.072 148 H SER 23 H SER 23 -11.169 -3.678 6.793 149 HA SER 23 HA SER 23 -13.514 -4.716 5.582 150 HB2 SER 23 1HB SER 23 -13.610 -4.325 7.922 151 HB3 SER 23 2HB SER 23 -13.054 -2.661 7.744 152 HG SER 23 HG SER 23 -15.141 -2.301 7.851 153 H ARG 24 H ARG 24 -12.063 -1.479 5.657 154 HA ARG 24 HA ARG 24 -13.790 -0.752 3.384 155 HB2 ARG 24 1HB ARG 24 -12.814 1.113 5.554 156 HB3 ARG 24 2HB ARG 24 -13.854 1.539 4.201 157 HG2 ARG 24 1HG ARG 24 -14.718 -0.589 6.102 158 HG3 ARG 24 2HG ARG 24 -14.869 1.110 6.557 159 HD2 ARG 24 1HD ARG 24 -16.335 1.566 4.778 160 HD3 ARG 24 2HD ARG 24 -15.922 0.068 3.946 161 HE ARG 24 HE ARG 24 -17.104 -0.405 6.501 162 HH11 ARG 24 1HH1 ARG 24 -17.803 0.376 3.181 163 HH12 ARG 24 2HH1 ARG 24 -19.400 -0.293 3.223 164 HH21 ARG 24 1HH2 ARG 24 -19.206 -1.290 6.569 165 HH22 ARG 24 2HH2 ARG 24 -20.197 -1.240 5.151 166 H ASN 25 H ASN 25 -12.872 0.986 2.010 167 HA ASN 25 HA ASN 25 -10.175 0.350 1.309 168 HB2 ASN 25 1HB ASN 25 -11.665 0.840 -0.485 169 HB3 ASN 25 2HB ASN 25 -12.155 2.365 0.247 170 HD21 ASN 25 1HD2 ASN 25 -10.075 0.860 -1.919 171 HD22 ASN 25 2HD2 ASN 25 -9.029 2.198 -2.238 172 H SER 26 H SER 26 -11.782 3.066 2.873 173 HA SER 26 HA SER 26 -9.673 4.895 2.864 174 HB2 SER 26 1HB SER 26 -12.024 4.474 4.689 175 HB3 SER 26 2HB SER 26 -10.825 5.717 5.046 176 HG SER 26 HG SER 26 -12.472 5.488 2.753 177 H GLN 27 H GLN 27 -10.033 1.956 4.567 178 HA GLN 27 HA GLN 27 -8.027 2.682 6.566 179 HB2 GLN 27 1HB GLN 27 -9.843 0.303 6.234 180 HB3 GLN 27 2HB GLN 27 -8.517 0.305 7.389 181 HG2 GLN 27 1HG GLN 27 -9.495 2.292 8.466 182 HG3 GLN 27 2HG GLN 27 -10.852 2.202 7.344 183 HE21 GLN 27 1HE2 GLN 27 -12.580 1.306 8.182 184 HE22 GLN 27 2HE2 GLN 27 -12.612 0.057 9.375 185 H LEU 28 H LEU 28 -8.395 0.912 3.622 186 HA LEU 28 HA LEU 28 -5.958 -0.609 3.955 187 HB2 LEU 28 1HB LEU 28 -7.478 -1.790 2.697 188 HB3 LEU 28 2HB LEU 28 -8.050 -0.355 1.850 189 HG LEU 28 HG LEU 28 -5.768 -0.368 0.680 190 HD11 LEU 28 1HD1 LEU 28 -4.940 -2.130 2.387 191 HD12 LEU 28 2HD1 LEU 28 -4.466 -2.278 0.695 192 HD13 LEU 28 3HD1 LEU 28 -5.764 -3.284 1.338 193 HD21 LEU 28 3HD2 LEU 28 -7.209 -2.797 -0.158 194 HD22 LEU 28 1HD2 LEU 28 -6.773 -1.357 -1.078 195 HD23 LEU 28 2HD2 LEU 28 -8.186 -1.334 -0.022 196 H SER 29 H SER 29 -7.071 2.103 1.951 197 HA SER 29 HA SER 29 -4.826 2.539 0.420 198 HB2 SER 29 1HB SER 29 -6.887 3.804 0.095 199 HB3 SER 29 2HB SER 29 -6.663 4.612 1.646 200 HG SER 29 HG SER 29 -5.622 5.231 -0.761 201 H GLN 30 H GLN 30 -5.488 3.762 3.687 202 HA GLN 30 HA GLN 30 -3.107 5.239 3.964 203 HB2 GLN 30 1HB GLN 30 -3.606 5.296 6.331 204 HB3 GLN 30 2HB GLN 30 -5.092 5.516 5.416 205 HG2 GLN 30 1HG GLN 30 -5.914 3.441 5.992 206 HG3 GLN 30 2HG GLN 30 -4.314 2.792 6.350 207 HE21 GLN 30 1HE2 GLN 30 -7.101 4.253 7.600 208 HE22 GLN 30 2HE2 GLN 30 -6.558 4.461 9.227 209 H HIS 31 H HIS 31 -3.669 1.892 3.927 210 HA HIS 31 HA HIS 31 -1.268 1.268 5.467 211 HB2 HIS 31 1HB HIS 31 -2.948 -0.242 6.031 212 HB3 HIS 31 2HB HIS 31 -3.546 -0.349 4.378 213 HD1 HIS 31 HD1 HIS 31 -0.949 -1.745 6.673 214 HD2 HIS 31 HD2 HIS 31 -2.237 -2.216 2.751 215 HE1 HIS 31 HE1 HIS 31 0.170 -3.839 5.846 216 H GLN 32 H GLN 32 -2.600 0.644 2.223 217 HA GLN 32 HA GLN 32 -0.495 -0.671 1.066 218 HB2 GLN 32 1HB GLN 32 -2.128 1.480 -0.289 219 HB3 GLN 32 2HB GLN 32 -1.275 0.157 -1.074 220 HG2 GLN 32 1HG GLN 32 -2.760 -1.448 0.009 221 HG3 GLN 32 2HG GLN 32 -3.613 -0.124 0.800 222 HE21 GLN 32 1HE2 GLN 32 -4.267 -2.247 -1.314 223 HE22 GLN 32 2HE2 GLN 32 -5.084 -1.348 -2.542 224 H LYS 33 H LYS 33 -0.785 2.757 1.750 225 HA LYS 33 HA LYS 33 1.226 3.842 0.231 226 HB2 LYS 33 1HB LYS 33 1.412 5.583 1.896 227 HB3 LYS 33 2HB LYS 33 -0.277 5.118 1.738 228 HG2 LYS 33 1HG LYS 33 0.043 3.652 3.751 229 HG3 LYS 33 2HG LYS 33 1.627 4.405 3.952 230 HD2 LYS 33 1HD LYS 33 -0.963 5.943 3.823 231 HD3 LYS 33 2HD LYS 33 -0.200 5.425 5.328 232 HE2 LYS 33 1HE LYS 33 1.157 7.138 3.254 233 HE3 LYS 33 2HE LYS 33 0.296 7.784 4.650 234 HZ1 LYS 33 3HZ LYS 33 2.056 5.852 5.594 235 HZ2 LYS 33 1HZ LYS 33 2.141 7.526 5.819 236 HZ3 LYS 33 2HZ LYS 33 2.933 6.808 4.508 237 H ILE 34 H ILE 34 1.505 1.825 3.069 238 HA ILE 34 HA ILE 34 4.110 2.297 3.855 239 HB ILE 34 HB ILE 34 4.130 0.156 4.868 240 HG12 ILE 34 1HG1 ILE 34 1.902 -0.622 2.972 241 HG13 ILE 34 2HG1 ILE 34 3.574 -1.164 2.866 242 HG21 ILE 34 1HG2 ILE 34 1.381 0.103 5.317 243 HG22 ILE 34 2HG2 ILE 34 2.597 0.968 6.257 244 HG23 ILE 34 3HG2 ILE 34 1.752 1.786 4.943 245 HD11 ILE 34 3HD1 ILE 34 1.437 -2.329 4.286 246 HD12 ILE 34 1HD1 ILE 34 3.119 -2.855 4.209 247 HD13 ILE 34 2HD1 ILE 34 2.600 -1.739 5.473 248 H HIS 35 H HIS 35 2.925 0.546 1.074 249 HA HIS 35 HA HIS 35 5.582 -0.444 0.412 250 HB2 HIS 35 1HB HIS 35 3.159 -0.716 -1.345 251 HB3 HIS 35 2HB HIS 35 4.558 -1.779 -1.223 252 HD1 HIS 35 HD1 HIS 35 4.707 -3.124 1.152 253 HD2 HIS 35 HD2 HIS 35 1.014 -1.539 0.098 254 HE1 HIS 35 HE1 HIS 35 3.024 -4.341 2.570 255 H THR 36 H THR 36 4.696 2.470 0.379 256 HA THR 36 HA THR 36 5.677 3.051 -2.336 257 HB THR 36 HB THR 36 4.189 4.856 -2.630 258 HG1 THR 36 HG1 THR 36 3.082 4.533 -0.046 259 HG21 THR 36 3HG2 THR 36 1.902 3.716 -1.813 260 HG22 THR 36 1HG2 THR 36 2.987 2.337 -1.644 261 HG23 THR 36 2HG2 THR 36 2.818 3.139 -3.205 262 H GLY 37 H GLY 37 7.375 4.393 -2.427 263 HA2 GLY 37 1HA GLY 37 8.389 6.491 -1.636 264 HA3 GLY 37 2HA GLY 37 8.011 5.961 -0.004 265 H GLU 38 H GLU 38 8.830 3.249 -0.309 266 HA GLU 38 HA GLU 38 11.475 3.048 -1.290 267 HB2 GLU 38 1HB GLU 38 11.821 4.596 0.664 268 HB3 GLU 38 2HB GLU 38 11.282 3.292 1.713 269 HG2 GLU 38 1HG GLU 38 13.141 1.925 1.072 270 HG3 GLU 38 2HG GLU 38 13.635 3.095 -0.150 271 H LYS 39 H LYS 39 11.460 0.990 -1.878 272 HA LYS 39 HA LYS 39 10.361 -1.001 -0.001 273 HB2 LYS 39 1HB LYS 39 9.966 -2.376 -2.132 274 HB3 LYS 39 2HB LYS 39 8.877 -1.032 -1.817 275 HG2 LYS 39 1HG LYS 39 9.744 0.248 -3.524 276 HG3 LYS 39 2HG LYS 39 11.287 -0.611 -3.525 277 HD2 LYS 39 1HD LYS 39 10.045 -2.627 -4.371 278 HD3 LYS 39 2HD LYS 39 8.633 -1.587 -4.570 279 HE2 LYS 39 1HE LYS 39 11.241 -0.781 -5.780 280 HE3 LYS 39 2HE LYS 39 10.264 -2.016 -6.572 281 HZ1 LYS 39 3HZ LYS 39 9.785 0.835 -6.304 282 HZ2 LYS 39 1HZ LYS 39 8.425 -0.154 -6.117 283 HZ3 LYS 39 2HZ LYS 39 9.335 -0.228 -7.541 284 HA PRO 40 HA PRO 40 14.840 -1.945 -0.529 285 HB2 PRO 40 1HB PRO 40 15.191 -2.744 2.042 286 HB3 PRO 40 2HB PRO 40 15.288 -1.052 1.540 287 HG2 PRO 40 1HG PRO 40 13.013 -2.522 2.813 288 HG3 PRO 40 2HG PRO 40 13.632 -0.898 3.164 289 HD2 PRO 40 1HD PRO 40 11.426 -1.321 1.651 290 HD3 PRO 40 2HD PRO 40 12.524 0.047 1.378 291 H SER 41 H SER 41 12.022 -3.683 0.264 292 HA SER 41 HA SER 41 13.399 -6.257 0.374 293 HB2 SER 41 1HB SER 41 11.138 -7.174 0.859 294 HB3 SER 41 2HB SER 41 11.622 -5.920 2.001 295 HG SER 41 HG SER 41 9.651 -5.268 1.453 296 H GLY 42 H GLY 42 10.842 -4.656 -1.522 297 HA2 GLY 42 1HA GLY 42 10.494 -4.791 -3.821 298 HA3 GLY 42 2HA GLY 42 11.764 -6.002 -3.916 299 HA PRO 43 HA PRO 43 7.757 -8.349 -2.546 300 HB2 PRO 43 1HB PRO 43 5.437 -6.942 -2.655 301 HB3 PRO 43 2HB PRO 43 6.445 -7.021 -1.205 302 HG2 PRO 43 1HG PRO 43 6.275 -4.869 -3.279 303 HG3 PRO 43 2HG PRO 43 6.359 -4.718 -1.514 304 HD2 PRO 43 1HD PRO 43 8.516 -4.361 -3.111 305 HD3 PRO 43 2HD PRO 43 8.643 -5.027 -1.470 306 H SER 44 H SER 44 7.976 -6.107 -5.148 307 HA SER 44 HA SER 44 5.938 -6.934 -6.843 308 HB2 SER 44 1HB SER 44 7.260 -6.015 -8.660 309 HB3 SER 44 2HB SER 44 7.434 -4.980 -7.243 310 HG SER 44 HG SER 44 9.321 -6.376 -8.601 311 H SER 45 H SER 45 5.802 -8.457 -8.498 312 HA SER 45 HA SER 45 7.924 -10.405 -8.833 313 HB2 SER 45 1HB SER 45 6.577 -12.332 -8.240 314 HB3 SER 45 2HB SER 45 6.618 -11.225 -6.868 315 HG SER 45 HG SER 45 4.547 -10.760 -8.603 316 H GLY 46 H GLY 46 7.853 -11.444 -10.791 317 HA2 GLY 46 1HA GLY 46 5.500 -10.920 -12.491 318 HA3 GLY 46 2HA GLY 46 7.122 -10.587 -13.079 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -3.760 -32.125 -3.355 2 HA2 GLY 1 1HA GLY 1 -3.760 -29.537 -1.932 3 HA3 GLY 1 2HA GLY 1 -4.346 -29.673 -3.583 4 H SER 2 H SER 2 -6.075 -28.600 -1.918 5 HA SER 2 HA SER 2 -8.187 -30.567 -1.802 6 HB2 SER 2 1HB SER 2 -7.081 -29.284 0.695 7 HB3 SER 2 2HB SER 2 -8.719 -29.931 0.615 8 HG SER 2 HG SER 2 -6.705 -31.604 -0.289 9 H SER 3 H SER 3 -10.290 -29.592 -1.332 10 HA SER 3 HA SER 3 -10.329 -26.738 -2.063 11 HB2 SER 3 1HB SER 3 -12.515 -27.158 -3.099 12 HB3 SER 3 2HB SER 3 -11.282 -28.210 -3.793 13 HG SER 3 HG SER 3 -13.477 -29.076 -3.003 14 H GLY 4 H GLY 4 -12.567 -25.737 -1.422 15 HA2 GLY 4 1HA GLY 4 -13.894 -26.684 0.885 16 HA3 GLY 4 2HA GLY 4 -12.644 -25.544 1.361 17 H SER 5 H SER 5 -13.672 -23.728 1.904 18 HA SER 5 HA SER 5 -15.135 -22.297 -0.134 19 HB2 SER 5 1HB SER 5 -17.165 -21.978 1.177 20 HB3 SER 5 2HB SER 5 -16.893 -23.701 0.918 21 HG SER 5 HG SER 5 -17.340 -22.637 3.183 22 H SER 6 H SER 6 -15.424 -20.070 0.358 23 HA SER 6 HA SER 6 -13.416 -19.073 2.201 24 HB2 SER 6 1HB SER 6 -13.804 -18.205 -0.185 25 HB3 SER 6 2HB SER 6 -15.222 -17.388 0.471 26 HG SER 6 HG SER 6 -13.963 -15.958 1.354 27 H GLY 7 H GLY 7 -16.865 -18.380 1.578 28 HA2 GLY 7 1HA GLY 7 -18.515 -18.303 3.290 29 HA3 GLY 7 2HA GLY 7 -17.239 -18.031 4.468 30 H THR 8 H THR 8 -15.933 -15.909 3.868 31 HA THR 8 HA THR 8 -17.783 -13.770 4.203 32 HB THR 8 HB THR 8 -15.515 -13.800 5.232 33 HG1 THR 8 HG1 THR 8 -16.240 -11.779 5.268 34 HG21 THR 8 3HG2 THR 8 -13.591 -13.131 3.862 35 HG22 THR 8 1HG2 THR 8 -14.597 -13.205 2.416 36 HG23 THR 8 2HG2 THR 8 -14.255 -14.675 3.329 37 H GLY 9 H GLY 9 -18.387 -12.150 2.812 38 HA2 GLY 9 1HA GLY 9 -18.787 -12.641 0.155 39 HA3 GLY 9 2HA GLY 9 -18.677 -11.021 0.825 40 H GLU 10 H GLU 10 -17.823 -12.014 -1.793 41 HA GLU 10 HA GLU 10 -14.919 -11.922 -1.676 42 HB2 GLU 10 1HB GLU 10 -14.980 -12.385 -4.050 43 HB3 GLU 10 2HB GLU 10 -16.060 -13.491 -3.212 44 HG2 GLU 10 1HG GLU 10 -17.959 -12.488 -4.052 45 HG3 GLU 10 2HG GLU 10 -17.133 -10.966 -4.384 46 H LYS 11 H LYS 11 -16.260 -9.585 -0.786 47 HA LYS 11 HA LYS 11 -15.475 -7.671 -2.886 48 HB2 LYS 11 1HB LYS 11 -17.966 -7.829 -2.188 49 HB3 LYS 11 2HB LYS 11 -17.449 -7.016 -0.716 50 HG2 LYS 11 1HG LYS 11 -16.568 -5.164 -2.075 51 HG3 LYS 11 2HG LYS 11 -17.163 -5.973 -3.527 52 HD2 LYS 11 1HD LYS 11 -19.351 -5.509 -3.054 53 HD3 LYS 11 2HD LYS 11 -19.085 -5.503 -1.309 54 HE2 LYS 11 1HE LYS 11 -17.853 -3.373 -3.003 55 HE3 LYS 11 2HE LYS 11 -19.562 -3.270 -2.581 56 HZ1 LYS 11 3HZ LYS 11 -19.031 -3.232 -0.287 57 HZ2 LYS 11 1HZ LYS 11 -18.015 -2.103 -1.032 58 HZ3 LYS 11 2HZ LYS 11 -17.408 -3.612 -0.571 59 H ARG 12 H ARG 12 -13.698 -8.794 -0.965 60 HA ARG 12 HA ARG 12 -13.267 -6.626 0.955 61 HB2 ARG 12 1HB ARG 12 -11.997 -8.093 2.222 62 HB3 ARG 12 2HB ARG 12 -13.196 -9.169 1.517 63 HG2 ARG 12 1HG ARG 12 -10.433 -8.747 0.402 64 HG3 ARG 12 2HG ARG 12 -10.887 -10.066 1.484 65 HD2 ARG 12 1HD ARG 12 -12.724 -10.555 -0.266 66 HD3 ARG 12 2HD ARG 12 -11.746 -9.556 -1.341 67 HE ARG 12 HE ARG 12 -10.328 -11.695 -0.005 68 HH11 ARG 12 1HH1 ARG 12 -12.083 -10.681 -2.836 69 HH12 ARG 12 2HH1 ARG 12 -11.396 -11.899 -3.858 70 HH21 ARG 12 1HH2 ARG 12 -9.416 -13.303 -1.341 71 HH22 ARG 12 2HH2 ARG 12 -9.880 -13.391 -3.007 72 H TYR 13 H TYR 13 -11.698 -5.160 0.718 73 HA TYR 13 HA TYR 13 -10.202 -5.047 -1.706 74 HB2 TYR 13 1HB TYR 13 -9.692 -3.358 0.738 75 HB3 TYR 13 2HB TYR 13 -9.416 -2.943 -0.950 76 HD1 TYR 13 HD2 TYR 13 -11.933 -3.633 -2.233 77 HD2 TYR 13 HD1 TYR 13 -11.241 -1.845 1.565 78 HE1 TYR 13 HE2 TYR 13 -14.148 -2.570 -2.337 79 HE2 TYR 13 HE1 TYR 13 -13.455 -0.777 1.472 80 HH TYR 13 HH TYR 13 -15.117 -0.201 -1.001 81 H LYS 14 H LYS 14 -8.718 -6.641 -1.935 82 HA LYS 14 HA LYS 14 -6.903 -7.280 0.246 83 HB2 LYS 14 1HB LYS 14 -7.921 -9.039 -1.242 84 HB3 LYS 14 2HB LYS 14 -6.934 -8.411 -2.555 85 HG2 LYS 14 1HG LYS 14 -4.964 -8.816 -0.902 86 HG3 LYS 14 2HG LYS 14 -6.107 -9.904 -0.110 87 HD2 LYS 14 1HD LYS 14 -6.428 -11.083 -2.251 88 HD3 LYS 14 2HD LYS 14 -5.234 -10.019 -2.998 89 HE2 LYS 14 1HE LYS 14 -3.883 -11.777 -2.472 90 HE3 LYS 14 2HE LYS 14 -3.757 -10.864 -0.970 91 HZ1 LYS 14 3HZ LYS 14 -5.744 -13.025 -1.376 92 HZ2 LYS 14 1HZ LYS 14 -5.297 -12.287 0.080 93 HZ3 LYS 14 2HZ LYS 14 -4.207 -13.301 -0.724 94 H CYS 15 H CYS 15 -4.915 -6.483 0.460 95 HA CYS 15 HA CYS 15 -3.960 -4.446 -1.276 96 HB2 CYS 15 1HB CYS 15 -3.497 -4.577 1.184 97 HB3 CYS 15 2HB CYS 15 -2.412 -5.925 0.858 98 H ASN 16 H ASN 16 -3.660 -5.251 -3.334 99 HA ASN 16 HA ASN 16 -2.479 -7.623 -4.095 100 HB2 ASN 16 1HB ASN 16 -1.702 -6.152 -6.149 101 HB3 ASN 16 2HB ASN 16 -3.408 -6.504 -5.883 102 HD21 ASN 16 1HD2 ASN 16 -4.425 -4.757 -6.599 103 HD22 ASN 16 2HD2 ASN 16 -4.114 -3.137 -6.086 104 H GLU 17 H GLU 17 -1.019 -4.906 -2.624 105 HA GLU 17 HA GLU 17 1.627 -5.240 -3.605 106 HB2 GLU 17 1HB GLU 17 0.872 -4.030 -0.949 107 HB3 GLU 17 2HB GLU 17 2.287 -3.679 -1.932 108 HG2 GLU 17 1HG GLU 17 -0.560 -3.018 -2.650 109 HG3 GLU 17 2HG GLU 17 0.642 -1.885 -2.037 110 H CYS 18 H CYS 18 0.272 -5.968 -0.383 111 HA CYS 18 HA CYS 18 2.392 -7.969 -0.027 112 HB2 CYS 18 1HB CYS 18 1.818 -7.841 2.385 113 HB3 CYS 18 2HB CYS 18 2.325 -6.291 1.722 114 H GLY 19 H GLY 19 -1.108 -7.500 0.271 115 HA2 GLY 19 1HA GLY 19 -2.448 -9.386 -0.651 116 HA3 GLY 19 2HA GLY 19 -1.397 -10.442 0.282 117 H LYS 20 H LYS 20 -2.096 -7.558 1.898 118 HA LYS 20 HA LYS 20 -3.571 -8.921 3.925 119 HB2 LYS 20 1HB LYS 20 -2.586 -6.145 3.487 120 HB3 LYS 20 2HB LYS 20 -3.891 -6.372 4.644 121 HG2 LYS 20 1HG LYS 20 -1.514 -8.136 4.862 122 HG3 LYS 20 2HG LYS 20 -1.356 -6.452 5.366 123 HD2 LYS 20 1HD LYS 20 -3.672 -8.084 6.324 124 HD3 LYS 20 2HD LYS 20 -2.092 -8.266 7.090 125 HE2 LYS 20 1HE LYS 20 -2.061 -5.805 7.459 126 HE3 LYS 20 2HE LYS 20 -3.707 -5.732 6.832 127 HZ1 LYS 20 3HZ LYS 20 -4.481 -6.302 8.812 128 HZ2 LYS 20 1HZ LYS 20 -2.909 -6.254 9.437 129 HZ3 LYS 20 2HZ LYS 20 -3.537 -7.706 8.840 130 H VAL 21 H VAL 21 -5.558 -7.411 4.796 131 HA VAL 21 HA VAL 21 -7.351 -6.728 2.610 132 HB VAL 21 HB VAL 21 -9.152 -8.169 3.871 133 HG11 VAL 21 1HG1 VAL 21 -9.026 -9.718 2.160 134 HG12 VAL 21 2HG1 VAL 21 -8.125 -8.356 1.490 135 HG13 VAL 21 3HG1 VAL 21 -7.262 -9.737 2.168 136 HG21 VAL 21 3HG2 VAL 21 -8.043 -10.376 4.534 137 HG22 VAL 21 1HG2 VAL 21 -6.549 -9.446 4.649 138 HG23 VAL 21 2HG2 VAL 21 -7.926 -9.035 5.672 139 H PHE 22 H PHE 22 -9.158 -5.489 3.256 140 HA PHE 22 HA PHE 22 -9.358 -4.735 6.065 141 HB2 PHE 22 1HB PHE 22 -9.038 -2.620 3.932 142 HB3 PHE 22 2HB PHE 22 -9.108 -2.384 5.676 143 HD1 PHE 22 HD2 PHE 22 -7.074 -4.095 3.068 144 HD2 PHE 22 HD1 PHE 22 -7.146 -2.174 6.865 145 HE1 PHE 22 HE2 PHE 22 -4.620 -4.231 3.179 146 HE2 PHE 22 HE1 PHE 22 -4.692 -2.305 6.982 147 HZ PHE 22 HZ PHE 22 -3.425 -3.336 5.138 148 H SER 23 H SER 23 -11.367 -3.968 6.662 149 HA SER 23 HA SER 23 -13.571 -4.794 5.144 150 HB2 SER 23 1HB SER 23 -13.328 -2.956 7.525 151 HB3 SER 23 2HB SER 23 -14.887 -3.364 6.809 152 HG SER 23 HG SER 23 -14.787 -5.251 7.722 153 H ARG 24 H ARG 24 -12.216 -1.555 5.668 154 HA ARG 24 HA ARG 24 -13.888 -0.582 3.446 155 HB2 ARG 24 1HB ARG 24 -12.625 1.078 5.631 156 HB3 ARG 24 2HB ARG 24 -13.772 1.623 4.415 157 HG2 ARG 24 1HG ARG 24 -14.481 -0.516 6.390 158 HG3 ARG 24 2HG ARG 24 -14.640 1.199 6.776 159 HD2 ARG 24 1HD ARG 24 -16.000 1.387 4.632 160 HD3 ARG 24 2HD ARG 24 -16.051 -0.375 4.639 161 HE ARG 24 HE ARG 24 -16.889 0.678 7.137 162 HH11 ARG 24 1HH1 ARG 24 -17.935 0.190 3.853 163 HH12 ARG 24 2HH1 ARG 24 -19.618 0.121 4.261 164 HH21 ARG 24 1HH2 ARG 24 -19.101 0.589 7.688 165 HH22 ARG 24 2HH2 ARG 24 -20.279 0.349 6.443 166 H ASN 25 H ASN 25 -12.912 1.110 2.093 167 HA ASN 25 HA ASN 25 -10.282 0.338 1.263 168 HB2 ASN 25 1HB ASN 25 -12.037 1.004 -0.348 169 HB3 ASN 25 2HB ASN 25 -12.002 2.638 0.309 170 HD21 ASN 25 1HD2 ASN 25 -11.294 3.713 -1.447 171 HD22 ASN 25 2HD2 ASN 25 -9.754 3.459 -2.189 172 H SER 26 H SER 26 -11.696 3.172 2.835 173 HA SER 26 HA SER 26 -9.540 4.895 2.801 174 HB2 SER 26 1HB SER 26 -11.630 5.688 3.638 175 HB3 SER 26 2HB SER 26 -11.663 4.463 4.906 176 HG SER 26 HG SER 26 -9.526 6.274 4.814 177 H GLN 27 H GLN 27 -9.889 1.928 4.487 178 HA GLN 27 HA GLN 27 -7.728 2.526 6.349 179 HB2 GLN 27 1HB GLN 27 -9.572 0.169 6.009 180 HB3 GLN 27 2HB GLN 27 -8.187 0.122 7.091 181 HG2 GLN 27 1HG GLN 27 -9.285 2.358 7.988 182 HG3 GLN 27 2HG GLN 27 -10.738 1.606 7.333 183 HE21 GLN 27 1HE2 GLN 27 -11.604 1.393 9.410 184 HE22 GLN 27 2HE2 GLN 27 -11.042 0.185 10.509 185 H LEU 28 H LEU 28 -8.356 0.708 3.435 186 HA LEU 28 HA LEU 28 -5.914 -0.789 3.516 187 HB2 LEU 28 1HB LEU 28 -7.430 -1.901 2.239 188 HB3 LEU 28 2HB LEU 28 -8.154 -0.419 1.617 189 HG LEU 28 HG LEU 28 -6.050 -0.180 0.197 190 HD11 LEU 28 1HD1 LEU 28 -5.007 -2.437 -0.309 191 HD12 LEU 28 2HD1 LEU 28 -5.718 -2.989 1.207 192 HD13 LEU 28 3HD1 LEU 28 -4.544 -1.673 1.212 193 HD21 LEU 28 3HD2 LEU 28 -8.459 -1.307 -0.300 194 HD22 LEU 28 1HD2 LEU 28 -7.379 -2.641 -0.709 195 HD23 LEU 28 2HD2 LEU 28 -7.198 -1.082 -1.514 196 H SER 29 H SER 29 -7.049 2.057 1.722 197 HA SER 29 HA SER 29 -4.784 2.494 0.167 198 HB2 SER 29 1HB SER 29 -7.011 4.204 1.163 199 HB3 SER 29 2HB SER 29 -5.595 5.017 0.498 200 HG SER 29 HG SER 29 -7.038 4.627 -1.163 201 H GLN 30 H GLN 30 -5.530 3.611 3.444 202 HA GLN 30 HA GLN 30 -3.164 5.152 3.749 203 HB2 GLN 30 1HB GLN 30 -5.015 3.956 5.817 204 HB3 GLN 30 2HB GLN 30 -3.736 5.109 6.171 205 HG2 GLN 30 1HG GLN 30 -6.119 5.612 4.402 206 HG3 GLN 30 2HG GLN 30 -5.916 6.186 6.056 207 HE21 GLN 30 1HE2 GLN 30 -4.938 8.073 6.378 208 HE22 GLN 30 2HE2 GLN 30 -4.115 8.991 5.168 209 H HIS 31 H HIS 31 -3.648 1.847 3.598 210 HA HIS 31 HA HIS 31 -1.419 1.189 5.367 211 HB2 HIS 31 1HB HIS 31 -3.099 -0.378 5.697 212 HB3 HIS 31 2HB HIS 31 -3.556 -0.398 3.996 213 HD1 HIS 31 HD1 HIS 31 -1.011 -1.803 6.377 214 HD2 HIS 31 HD2 HIS 31 -2.225 -2.258 2.430 215 HE1 HIS 31 HE1 HIS 31 0.165 -3.864 5.545 216 H GLN 32 H GLN 32 -2.374 0.804 1.966 217 HA GLN 32 HA GLN 32 -0.114 -0.464 1.005 218 HB2 GLN 32 1HB GLN 32 -2.062 1.447 -0.239 219 HB3 GLN 32 2HB GLN 32 -0.673 0.883 -1.157 220 HG2 GLN 32 1HG GLN 32 -1.396 -1.435 -0.797 221 HG3 GLN 32 2HG GLN 32 -2.810 -0.842 0.073 222 HE21 GLN 32 1HE2 GLN 32 -4.540 -0.100 -1.046 223 HE22 GLN 32 2HE2 GLN 32 -4.659 -0.124 -2.769 224 H LYS 33 H LYS 33 -0.552 2.853 1.947 225 HA LYS 33 HA LYS 33 1.584 4.056 0.612 226 HB2 LYS 33 1HB LYS 33 1.567 5.634 2.642 227 HB3 LYS 33 2HB LYS 33 0.101 5.522 1.677 228 HG2 LYS 33 1HG LYS 33 -1.053 4.387 3.312 229 HG3 LYS 33 2HG LYS 33 0.418 3.770 4.069 230 HD2 LYS 33 1HD LYS 33 -0.504 5.434 5.515 231 HD3 LYS 33 2HD LYS 33 0.942 6.116 4.767 232 HE2 LYS 33 1HE LYS 33 -0.840 6.951 2.987 233 HE3 LYS 33 2HE LYS 33 -1.919 6.811 4.374 234 HZ1 LYS 33 3HZ LYS 33 0.614 8.358 4.371 235 HZ2 LYS 33 1HZ LYS 33 -0.534 8.302 5.612 236 HZ3 LYS 33 2HZ LYS 33 -0.919 9.033 4.136 237 H ILE 34 H ILE 34 1.554 1.841 3.247 238 HA ILE 34 HA ILE 34 4.068 2.493 4.388 239 HB ILE 34 HB ILE 34 3.883 0.553 5.665 240 HG12 ILE 34 1HG1 ILE 34 2.070 -0.596 3.530 241 HG13 ILE 34 2HG1 ILE 34 3.756 -1.032 3.784 242 HG21 ILE 34 1HG2 ILE 34 1.092 0.383 5.603 243 HG22 ILE 34 2HG2 ILE 34 2.082 1.392 6.657 244 HG23 ILE 34 3HG2 ILE 34 1.480 2.037 5.130 245 HD11 ILE 34 3HD1 ILE 34 3.283 -2.365 5.528 246 HD12 ILE 34 1HD1 ILE 34 1.999 -1.314 6.125 247 HD13 ILE 34 2HD1 ILE 34 1.686 -2.412 4.781 248 H HIS 35 H HIS 35 3.144 0.818 1.534 249 HA HIS 35 HA HIS 35 5.594 -0.679 1.269 250 HB2 HIS 35 1HB HIS 35 3.421 -0.125 -0.763 251 HB3 HIS 35 2HB HIS 35 4.723 -1.297 -0.944 252 HD1 HIS 35 HD1 HIS 35 4.686 -2.958 1.456 253 HD2 HIS 35 HD2 HIS 35 1.163 -1.459 -0.158 254 HE1 HIS 35 HE1 HIS 35 2.861 -4.459 2.315 255 H THR 36 H THR 36 4.406 2.442 0.350 256 HA THR 36 HA THR 36 6.491 2.895 -1.611 257 HB THR 36 HB THR 36 4.209 3.890 -1.856 258 HG1 THR 36 HG1 THR 36 5.720 4.926 -3.049 259 HG21 THR 36 3HG2 THR 36 4.166 6.175 -0.458 260 HG22 THR 36 1HG2 THR 36 5.017 5.153 0.699 261 HG23 THR 36 2HG2 THR 36 3.417 4.687 0.121 262 H GLY 37 H GLY 37 6.925 2.451 1.413 263 HA2 GLY 37 1HA GLY 37 8.516 4.893 1.892 264 HA3 GLY 37 2HA GLY 37 7.844 3.888 3.167 265 H GLU 38 H GLU 38 10.389 4.402 3.491 266 HA GLU 38 HA GLU 38 12.348 2.986 2.188 267 HB2 GLU 38 1HB GLU 38 12.440 4.604 4.255 268 HB3 GLU 38 2HB GLU 38 12.400 3.108 5.177 269 HG2 GLU 38 1HG GLU 38 14.665 3.619 4.957 270 HG3 GLU 38 2HG GLU 38 14.369 2.360 3.760 271 H LYS 39 H LYS 39 13.426 0.985 2.657 272 HA LYS 39 HA LYS 39 11.791 -1.019 4.045 273 HB2 LYS 39 1HB LYS 39 12.132 -2.626 2.247 274 HB3 LYS 39 2HB LYS 39 11.311 -1.195 1.639 275 HG2 LYS 39 1HG LYS 39 13.239 -0.429 0.532 276 HG3 LYS 39 2HG LYS 39 14.281 -1.558 1.401 277 HD2 LYS 39 1HD LYS 39 13.661 -3.342 0.101 278 HD3 LYS 39 2HD LYS 39 12.074 -2.662 -0.265 279 HE2 LYS 39 1HE LYS 39 13.563 -0.844 -1.498 280 HE3 LYS 39 2HE LYS 39 14.701 -2.188 -1.570 281 HZ1 LYS 39 3HZ LYS 39 12.390 -1.736 -3.134 282 HZ2 LYS 39 1HZ LYS 39 12.241 -3.209 -2.315 283 HZ3 LYS 39 2HZ LYS 39 13.578 -2.927 -3.312 284 HA PRO 40 HA PRO 40 15.576 -2.315 5.858 285 HB2 PRO 40 1HB PRO 40 15.050 -4.942 6.296 286 HB3 PRO 40 2HB PRO 40 14.311 -3.644 7.240 287 HG2 PRO 40 1HG PRO 40 13.182 -5.190 4.939 288 HG3 PRO 40 2HG PRO 40 12.400 -4.714 6.457 289 HD2 PRO 40 1HD PRO 40 12.011 -3.376 4.136 290 HD3 PRO 40 2HD PRO 40 11.986 -2.570 5.717 291 H SER 41 H SER 41 17.124 -4.354 5.727 292 HA SER 41 HA SER 41 18.751 -5.359 4.490 293 HB2 SER 41 1HB SER 41 18.020 -6.899 2.826 294 HB3 SER 41 2HB SER 41 16.717 -6.812 4.011 295 HG SER 41 HG SER 41 16.561 -6.366 1.424 296 H GLY 42 H GLY 42 18.538 -2.590 4.104 297 HA2 GLY 42 1HA GLY 42 18.972 -0.885 2.591 298 HA3 GLY 42 2HA GLY 42 20.242 -1.999 2.108 299 HA PRO 43 HA PRO 43 17.691 -1.171 -1.638 300 HB2 PRO 43 1HB PRO 43 19.816 -1.040 -3.323 301 HB3 PRO 43 2HB PRO 43 19.241 0.348 -2.393 302 HG2 PRO 43 1HG PRO 43 21.525 -1.500 -1.820 303 HG3 PRO 43 2HG PRO 43 21.451 0.265 -1.673 304 HD2 PRO 43 1HD PRO 43 21.206 -1.386 0.459 305 HD3 PRO 43 2HD PRO 43 20.368 0.176 0.360 306 H SER 44 H SER 44 20.610 -3.215 -1.472 307 HA SER 44 HA SER 44 20.175 -4.953 -3.517 308 HB2 SER 44 1HB SER 44 22.119 -4.982 -1.922 309 HB3 SER 44 2HB SER 44 21.090 -5.837 -0.772 310 HG SER 44 HG SER 44 22.439 -7.195 -2.139 311 H SER 45 H SER 45 18.838 -6.603 -4.001 312 HA SER 45 HA SER 45 16.416 -6.883 -2.518 313 HB2 SER 45 1HB SER 45 17.506 -8.422 -4.884 314 HB3 SER 45 2HB SER 45 15.888 -8.645 -4.220 315 HG SER 45 HG SER 45 16.615 -6.037 -4.809 316 H GLY 46 H GLY 46 18.947 -9.258 -3.366 317 HA2 GLY 46 1HA GLY 46 19.872 -10.509 -1.401 318 HA3 GLY 46 2HA GLY 46 18.197 -10.741 -0.921
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