NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505666 | 2ytj | 10309 | 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 -8.078 -12.307 0.388 2 HA2 GLY 1 1HA GLY 1 -6.248 -14.189 -0.762 3 HA3 GLY 1 2HA GLY 1 -6.750 -14.658 0.855 4 H SER 2 H SER 2 -7.312 -15.412 -2.172 5 HA SER 2 HA SER 2 -10.155 -15.979 -1.682 6 HB2 SER 2 1HB SER 2 -10.139 -14.165 -3.272 7 HB3 SER 2 2HB SER 2 -8.926 -14.980 -4.260 8 HG SER 2 HG SER 2 -10.521 -16.662 -4.565 9 H SER 3 H SER 3 -10.947 -17.907 -2.596 10 HA SER 3 HA SER 3 -9.112 -20.050 -2.631 11 HB2 SER 3 1HB SER 3 -11.957 -20.011 -3.668 12 HB3 SER 3 2HB SER 3 -11.024 -21.444 -3.234 13 HG SER 3 HG SER 3 -11.375 -19.413 -1.333 14 H GLY 4 H GLY 4 -7.839 -20.766 -4.203 15 HA2 GLY 4 1HA GLY 4 -7.620 -21.588 -6.474 16 HA3 GLY 4 2HA GLY 4 -8.634 -20.251 -6.997 17 H SER 5 H SER 5 -7.741 -18.215 -7.283 18 HA SER 5 HA SER 5 -4.966 -17.732 -6.647 19 HB2 SER 5 1HB SER 5 -5.095 -19.054 -8.879 20 HB3 SER 5 2HB SER 5 -5.693 -17.541 -9.560 21 HG SER 5 HG SER 5 -3.447 -17.652 -9.764 22 H SER 6 H SER 6 -4.435 -15.567 -6.652 23 HA SER 6 HA SER 6 -6.498 -13.716 -6.299 24 HB2 SER 6 1HB SER 6 -3.537 -13.408 -6.758 25 HB3 SER 6 2HB SER 6 -4.587 -12.004 -6.564 26 HG SER 6 HG SER 6 -3.657 -13.756 -4.692 27 H GLY 7 H GLY 7 -6.699 -11.627 -7.548 28 HA2 GLY 7 1HA GLY 7 -6.265 -10.635 -9.807 29 HA3 GLY 7 2HA GLY 7 -6.658 -12.226 -10.442 30 H THR 8 H THR 8 -8.889 -12.984 -9.241 31 HA THR 8 HA THR 8 -10.860 -11.247 -10.388 32 HB THR 8 HB THR 8 -11.341 -13.697 -8.685 33 HG1 THR 8 HG1 THR 8 -10.680 -13.394 -11.419 34 HG21 THR 8 3HG2 THR 8 -13.514 -13.590 -9.303 35 HG22 THR 8 1HG2 THR 8 -13.136 -12.977 -10.912 36 HG23 THR 8 2HG2 THR 8 -13.156 -11.879 -9.532 37 H GLY 9 H GLY 9 -10.848 -9.330 -9.211 38 HA2 GLY 9 1HA GLY 9 -12.173 -8.129 -7.626 39 HA3 GLY 9 2HA GLY 9 -12.134 -9.538 -6.576 40 H GLU 10 H GLU 10 -10.571 -6.609 -7.489 41 HA GLU 10 HA GLU 10 -8.801 -6.861 -5.180 42 HB2 GLU 10 1HB GLU 10 -7.604 -7.565 -7.334 43 HB3 GLU 10 2HB GLU 10 -7.714 -5.876 -7.811 44 HG2 GLU 10 1HG GLU 10 -6.307 -5.175 -6.080 45 HG3 GLU 10 2HG GLU 10 -6.481 -6.696 -5.206 46 H LYS 11 H LYS 11 -8.007 -4.838 -4.390 47 HA LYS 11 HA LYS 11 -9.740 -2.829 -4.039 48 HB2 LYS 11 1HB LYS 11 -6.745 -2.645 -4.332 49 HB3 LYS 11 2HB LYS 11 -7.727 -1.275 -3.830 50 HG2 LYS 11 1HG LYS 11 -7.553 -3.922 -2.404 51 HG3 LYS 11 2HG LYS 11 -6.734 -2.434 -1.925 52 HD2 LYS 11 1HD LYS 11 -9.103 -1.407 -1.904 53 HD3 LYS 11 2HD LYS 11 -9.662 -3.081 -1.872 54 HE2 LYS 11 1HE LYS 11 -9.521 -2.224 0.383 55 HE3 LYS 11 2HE LYS 11 -8.296 -3.469 0.143 56 HZ1 LYS 11 3HZ LYS 11 -7.071 -1.107 -0.537 57 HZ2 LYS 11 1HZ LYS 11 -6.836 -1.994 0.884 58 HZ3 LYS 11 2HZ LYS 11 -7.964 -0.734 0.850 59 HA PRO 12 HA PRO 12 -10.472 -0.698 -7.812 60 HB2 PRO 12 1HB PRO 12 -11.069 1.774 -6.862 61 HB3 PRO 12 2HB PRO 12 -12.165 0.396 -6.708 62 HG2 PRO 12 1HG PRO 12 -10.280 1.551 -4.690 63 HG3 PRO 12 2HG PRO 12 -11.949 0.993 -4.471 64 HD2 PRO 12 1HD PRO 12 -9.807 -0.509 -3.772 65 HD3 PRO 12 2HD PRO 12 -11.326 -1.223 -4.353 66 H TYR 13 H TYR 13 -7.904 0.118 -5.727 67 HA TYR 13 HA TYR 13 -6.514 1.447 -7.915 68 HB2 TYR 13 1HB TYR 13 -6.546 2.714 -5.177 69 HB3 TYR 13 2HB TYR 13 -5.885 3.376 -6.667 70 HD1 TYR 13 HD2 TYR 13 -7.708 3.579 -8.625 71 HD2 TYR 13 HD1 TYR 13 -8.569 3.550 -4.459 72 HE1 TYR 13 HE2 TYR 13 -9.837 4.731 -9.063 73 HE2 TYR 13 HE1 TYR 13 -10.700 4.701 -4.884 74 HH TYR 13 HH TYR 13 -11.448 6.379 -7.226 75 H ILE 14 H ILE 14 -4.424 0.879 -8.018 76 HA ILE 14 HA ILE 14 -3.092 -0.164 -5.632 77 HB ILE 14 HB ILE 14 -3.344 -1.673 -8.232 78 HG12 ILE 14 1HG1 ILE 14 -3.914 -3.470 -6.348 79 HG13 ILE 14 2HG1 ILE 14 -4.357 -2.022 -5.450 80 HG21 ILE 14 1HG2 ILE 14 -1.326 -2.529 -7.892 81 HG22 ILE 14 2HG2 ILE 14 -1.138 -1.574 -6.422 82 HG23 ILE 14 3HG2 ILE 14 -1.882 -3.172 -6.347 83 HD11 ILE 14 3HD1 ILE 14 -6.356 -2.435 -6.399 84 HD12 ILE 14 1HD1 ILE 14 -5.648 -1.522 -7.731 85 HD13 ILE 14 2HD1 ILE 14 -5.653 -3.285 -7.775 86 H CYS 15 H CYS 15 -1.191 0.798 -5.427 87 HA CYS 15 HA CYS 15 -0.078 2.513 -7.337 88 HB2 CYS 15 1HB CYS 15 0.543 2.899 -5.098 89 HB3 CYS 15 2HB CYS 15 1.025 1.223 -4.852 90 H ALA 16 H ALA 16 2.030 2.329 -8.395 91 HA ALA 16 HA ALA 16 2.507 -0.416 -9.354 92 HB1 ALA 16 3HB ALA 16 3.123 0.450 -11.463 93 HB2 ALA 16 1HB ALA 16 1.646 1.296 -11.003 94 HB3 ALA 16 2HB ALA 16 3.208 2.100 -10.845 95 H GLU 17 H GLU 17 3.973 2.502 -8.107 96 HA GLU 17 HA GLU 17 6.650 2.062 -8.619 97 HB2 GLU 17 1HB GLU 17 5.161 3.429 -6.425 98 HB3 GLU 17 2HB GLU 17 6.889 3.174 -6.225 99 HG2 GLU 17 1HG GLU 17 5.785 4.454 -8.695 100 HG3 GLU 17 2HG GLU 17 6.087 5.387 -7.231 101 H CYS 18 H CYS 18 4.645 0.726 -6.031 102 HA CYS 18 HA CYS 18 6.799 -1.204 -5.472 103 HB2 CYS 18 1HB CYS 18 6.076 -1.219 -3.108 104 HB3 CYS 18 2HB CYS 18 6.660 0.363 -3.614 105 H GLY 19 H GLY 19 3.308 -0.580 -5.329 106 HA2 GLY 19 1HA GLY 19 1.860 -2.227 -6.431 107 HA3 GLY 19 2HA GLY 19 2.889 -3.475 -5.744 108 H LYS 20 H LYS 20 1.395 -0.586 -4.303 109 HA LYS 20 HA LYS 20 0.362 -2.281 -2.152 110 HB2 LYS 20 1HB LYS 20 0.964 0.636 -2.420 111 HB3 LYS 20 2HB LYS 20 -0.213 0.116 -1.222 112 HG2 LYS 20 1HG LYS 20 1.426 -1.258 -0.128 113 HG3 LYS 20 2HG LYS 20 2.608 -0.923 -1.396 114 HD2 LYS 20 1HD LYS 20 2.835 1.325 -0.733 115 HD3 LYS 20 2HD LYS 20 1.373 1.266 0.254 116 HE2 LYS 20 1HE LYS 20 3.110 1.175 1.811 117 HE3 LYS 20 2HE LYS 20 2.611 -0.506 1.632 118 HZ1 LYS 20 3HZ LYS 20 4.532 -0.176 -0.272 119 HZ2 LYS 20 1HZ LYS 20 4.742 -0.924 1.231 120 HZ3 LYS 20 2HZ LYS 20 5.128 0.712 1.038 121 H ALA 21 H ALA 21 -1.810 -1.430 -1.225 122 HA ALA 21 HA ALA 21 -3.662 -0.897 -3.454 123 HB1 ALA 21 3HB ALA 21 -4.806 -2.447 -1.263 124 HB2 ALA 21 1HB ALA 21 -4.908 -2.697 -3.007 125 HB3 ALA 21 2HB ALA 21 -3.504 -3.280 -2.112 126 H PHE 22 H PHE 22 -5.565 0.266 -2.938 127 HA PHE 22 HA PHE 22 -5.810 1.400 -0.273 128 HB2 PHE 22 1HB PHE 22 -5.279 3.079 -2.728 129 HB3 PHE 22 2HB PHE 22 -5.917 3.732 -1.223 130 HD1 PHE 22 HD1 PHE 22 -4.522 3.924 0.742 131 HD2 PHE 22 HD2 PHE 22 -2.984 2.347 -2.900 132 HE1 PHE 22 HE1 PHE 22 -2.231 4.194 1.596 133 HE2 PHE 22 HE2 PHE 22 -0.691 2.614 -2.051 134 HZ PHE 22 HZ PHE 22 -0.311 3.537 0.200 135 H THR 23 H THR 23 -7.768 2.911 -0.197 136 HA THR 23 HA THR 23 -9.893 1.759 -1.883 137 HB THR 23 HB THR 23 -11.445 2.416 -0.010 138 HG1 THR 23 HG1 THR 23 -9.159 2.523 1.643 139 HG21 THR 23 3HG2 THR 23 -9.735 0.590 1.425 140 HG22 THR 23 1HG2 THR 23 -9.794 0.173 -0.287 141 HG23 THR 23 2HG2 THR 23 -11.287 0.289 0.644 142 H ILE 24 H ILE 24 -8.825 4.726 -0.256 143 HA ILE 24 HA ILE 24 -10.714 6.306 -1.818 144 HB ILE 24 HB ILE 24 -8.704 7.418 0.121 145 HG12 ILE 24 1HG1 ILE 24 -11.493 6.556 0.878 146 HG13 ILE 24 2HG1 ILE 24 -10.097 5.508 1.100 147 HG21 ILE 24 1HG2 ILE 24 -9.912 8.984 -1.329 148 HG22 ILE 24 2HG2 ILE 24 -11.443 8.352 -0.725 149 HG23 ILE 24 3HG2 ILE 24 -10.345 9.195 0.367 150 HD11 ILE 24 3HD1 ILE 24 -10.011 8.260 2.218 151 HD12 ILE 24 1HD1 ILE 24 -10.971 7.029 3.038 152 HD13 ILE 24 2HD1 ILE 24 -9.242 6.781 2.792 153 H ARG 25 H ARG 25 -10.171 7.137 -3.714 154 HA ARG 25 HA ARG 25 -7.872 6.859 -5.096 155 HB2 ARG 25 1HB ARG 25 -9.897 7.807 -6.077 156 HB3 ARG 25 2HB ARG 25 -9.676 9.284 -5.149 157 HG2 ARG 25 1HG ARG 25 -8.912 9.815 -7.284 158 HG3 ARG 25 2HG ARG 25 -7.441 9.505 -6.359 159 HD2 ARG 25 1HD ARG 25 -7.095 8.359 -8.361 160 HD3 ARG 25 2HD ARG 25 -7.628 7.105 -7.242 161 HE ARG 25 HE ARG 25 -9.416 6.757 -8.605 162 HH11 ARG 25 1HH1 ARG 25 -8.240 9.989 -9.143 163 HH12 ARG 25 2HH1 ARG 25 -9.357 10.322 -10.425 164 HH21 ARG 25 1HH2 ARG 25 -10.891 7.183 -10.292 165 HH22 ARG 25 2HH2 ARG 25 -10.865 8.725 -11.077 166 H SER 26 H SER 26 -8.571 9.439 -2.783 167 HA SER 26 HA SER 26 -6.176 10.891 -3.225 168 HB2 SER 26 1HB SER 26 -8.381 11.619 -2.034 169 HB3 SER 26 2HB SER 26 -7.631 10.925 -0.597 170 HG SER 26 HG SER 26 -7.215 13.309 -1.646 171 H ASN 27 H ASN 27 -7.137 8.634 -0.642 172 HA ASN 27 HA ASN 27 -4.923 8.599 0.925 173 HB2 ASN 27 1HB ASN 27 -6.870 6.496 0.118 174 HB3 ASN 27 2HB ASN 27 -5.418 5.974 0.968 175 HD21 ASN 27 1HD2 ASN 27 -5.736 5.751 3.048 176 HD22 ASN 27 2HD2 ASN 27 -6.761 6.727 4.039 177 H LEU 28 H LEU 28 -5.252 7.180 -2.265 178 HA LEU 28 HA LEU 28 -2.771 5.762 -2.192 179 HB2 LEU 28 1HB LEU 28 -4.275 4.875 -3.707 180 HB3 LEU 28 2HB LEU 28 -4.764 6.460 -4.303 181 HG LEU 28 HG LEU 28 -2.417 6.590 -5.327 182 HD11 LEU 28 1HD1 LEU 28 -2.186 3.778 -5.722 183 HD12 LEU 28 2HD1 LEU 28 -2.197 4.113 -3.991 184 HD13 LEU 28 3HD1 LEU 28 -1.014 4.903 -5.034 185 HD21 LEU 28 3HD2 LEU 28 -4.807 5.844 -6.329 186 HD22 LEU 28 1HD2 LEU 28 -3.853 4.402 -6.679 187 HD23 LEU 28 2HD2 LEU 28 -3.334 5.972 -7.292 188 H ILE 29 H ILE 29 -3.838 8.805 -3.690 189 HA ILE 29 HA ILE 29 -1.544 9.557 -4.996 190 HB ILE 29 HB ILE 29 -3.469 11.311 -3.471 191 HG12 ILE 29 1HG1 ILE 29 -3.294 11.004 -6.454 192 HG13 ILE 29 2HG1 ILE 29 -4.185 9.831 -5.491 193 HG21 ILE 29 1HG2 ILE 29 -1.289 12.415 -3.816 194 HG22 ILE 29 2HG2 ILE 29 -1.446 12.133 -5.549 195 HG23 ILE 29 3HG2 ILE 29 -2.593 13.185 -4.719 196 HD11 ILE 29 3HD1 ILE 29 -4.854 12.608 -4.891 197 HD12 ILE 29 1HD1 ILE 29 -5.217 12.115 -6.544 198 HD13 ILE 29 2HD1 ILE 29 -5.902 11.221 -5.186 199 H LYS 30 H LYS 30 -2.374 10.310 -1.612 200 HA LYS 30 HA LYS 30 -0.152 11.719 -0.858 201 HB2 LYS 30 1HB LYS 30 -1.593 9.625 0.780 202 HB3 LYS 30 2HB LYS 30 -0.538 10.876 1.426 203 HG2 LYS 30 1HG LYS 30 -3.003 11.510 -0.167 204 HG3 LYS 30 2HG LYS 30 -3.026 11.291 1.584 205 HD2 LYS 30 1HD LYS 30 -1.214 13.249 0.183 206 HD3 LYS 30 2HD LYS 30 -2.817 13.674 0.788 207 HE2 LYS 30 1HE LYS 30 -1.864 12.578 3.003 208 HE3 LYS 30 2HE LYS 30 -0.324 13.032 2.276 209 HZ1 LYS 30 3HZ LYS 30 -2.421 15.059 2.320 210 HZ2 LYS 30 1HZ LYS 30 -0.749 15.226 2.518 211 HZ3 LYS 30 2HZ LYS 30 -1.701 14.672 3.801 212 H HIS 31 H HIS 31 -0.506 8.185 -0.916 213 HA HIS 31 HA HIS 31 1.989 7.509 0.119 214 HB2 HIS 31 1HB HIS 31 0.508 5.720 -0.076 215 HB3 HIS 31 2HB HIS 31 0.078 6.126 -1.735 216 HD1 HIS 31 HD1 HIS 31 3.280 5.063 0.046 217 HD2 HIS 31 HD2 HIS 31 1.156 4.358 -3.454 218 HE1 HIS 31 HE1 HIS 31 4.610 3.339 -1.212 219 H GLN 32 H GLN 32 1.043 7.772 -3.311 220 HA GLN 32 HA GLN 32 3.316 7.212 -4.621 221 HB2 GLN 32 1HB GLN 32 1.504 9.577 -5.124 222 HB3 GLN 32 2HB GLN 32 2.725 9.017 -6.259 223 HG2 GLN 32 1HG GLN 32 1.586 6.831 -6.354 224 HG3 GLN 32 2HG GLN 32 0.330 7.471 -5.296 225 HE21 GLN 32 1HE2 GLN 32 -1.006 6.798 -7.162 226 HE22 GLN 32 2HE2 GLN 32 -1.245 7.937 -8.439 227 H LYS 33 H LYS 33 2.827 9.934 -2.520 228 HA LYS 33 HA LYS 33 4.917 11.598 -3.324 229 HB2 LYS 33 1HB LYS 33 3.839 11.136 -0.536 230 HB3 LYS 33 2HB LYS 33 4.847 12.494 -1.021 231 HG2 LYS 33 1HG LYS 33 2.208 11.929 -2.330 232 HG3 LYS 33 2HG LYS 33 2.343 12.894 -0.858 233 HD2 LYS 33 1HD LYS 33 3.905 14.405 -2.036 234 HD3 LYS 33 2HD LYS 33 3.665 13.466 -3.511 235 HE2 LYS 33 1HE LYS 33 1.312 14.604 -2.059 236 HE3 LYS 33 2HE LYS 33 2.281 15.636 -3.110 237 HZ1 LYS 33 3HZ LYS 33 0.682 14.846 -4.537 238 HZ2 LYS 33 1HZ LYS 33 0.614 13.318 -3.814 239 HZ3 LYS 33 2HZ LYS 33 1.925 13.729 -4.800 240 H ILE 34 H ILE 34 4.910 8.971 -0.929 241 HA ILE 34 HA ILE 34 7.571 9.187 -0.116 242 HB ILE 34 HB ILE 34 7.384 7.013 0.796 243 HG12 ILE 34 1HG1 ILE 34 5.194 5.689 0.035 244 HG13 ILE 34 2HG1 ILE 34 5.472 6.592 -1.450 245 HG21 ILE 34 1HG2 ILE 34 5.155 8.847 0.967 246 HG22 ILE 34 2HG2 ILE 34 4.660 7.189 1.301 247 HG23 ILE 34 3HG2 ILE 34 5.958 7.927 2.240 248 HD11 ILE 34 3HD1 ILE 34 6.517 4.202 -1.027 249 HD12 ILE 34 1HD1 ILE 34 7.360 5.443 -1.954 250 HD13 ILE 34 2HD1 ILE 34 7.779 5.167 -0.263 251 H HIS 35 H HIS 35 6.348 8.334 -3.134 252 HA HIS 35 HA HIS 35 8.705 6.749 -3.852 253 HB2 HIS 35 1HB HIS 35 6.036 7.206 -5.158 254 HB3 HIS 35 2HB HIS 35 7.391 6.563 -6.081 255 HD1 HIS 35 HD1 HIS 35 8.589 4.512 -4.296 256 HD2 HIS 35 HD2 HIS 35 4.482 5.090 -4.543 257 HE1 HIS 35 HE1 HIS 35 7.558 2.354 -3.518 258 H THR 36 H THR 36 8.278 9.831 -3.485 259 HA THR 36 HA THR 36 9.631 10.580 -5.996 260 HB THR 36 HB THR 36 7.890 12.386 -4.308 261 HG1 THR 36 HG1 THR 36 7.373 11.029 -6.761 262 HG21 THR 36 3HG2 THR 36 8.485 13.098 -7.089 263 HG22 THR 36 1HG2 THR 36 9.895 13.087 -6.031 264 HG23 THR 36 2HG2 THR 36 8.504 14.096 -5.635 265 H LYS 37 H LYS 37 11.643 10.073 -4.946 266 HA LYS 37 HA LYS 37 12.573 11.103 -2.554 267 HB2 LYS 37 1HB LYS 37 14.843 10.834 -3.506 268 HB3 LYS 37 2HB LYS 37 13.819 9.431 -3.784 269 HG2 LYS 37 1HG LYS 37 13.360 10.326 -6.074 270 HG3 LYS 37 2HG LYS 37 14.586 11.558 -5.767 271 HD2 LYS 37 1HD LYS 37 15.194 8.639 -5.431 272 HD3 LYS 37 2HD LYS 37 15.289 9.417 -7.013 273 HE2 LYS 37 1HE LYS 37 16.861 11.071 -6.055 274 HE3 LYS 37 2HE LYS 37 16.814 10.193 -4.528 275 HZ1 LYS 37 3HZ LYS 37 17.402 8.447 -6.688 276 HZ2 LYS 37 1HZ LYS 37 18.297 8.750 -5.285 277 HZ3 LYS 37 2HZ LYS 37 18.504 9.730 -6.648 278 H GLN 38 H GLN 38 14.028 12.871 -2.104 279 HA GLN 38 HA GLN 38 13.837 15.122 -3.981 280 HB2 GLN 38 1HB GLN 38 12.099 15.422 -2.278 281 HB3 GLN 38 2HB GLN 38 13.306 15.269 -1.008 282 HG2 GLN 38 1HG GLN 38 12.693 17.593 -1.395 283 HG3 GLN 38 2HG GLN 38 14.393 17.300 -1.760 284 HE21 GLN 38 1HE2 GLN 38 11.204 17.553 -3.255 285 HE22 GLN 38 2HE2 GLN 38 11.762 18.194 -4.759 286 H LYS 39 H LYS 39 16.022 14.608 -4.512 287 HA LYS 39 HA LYS 39 18.209 14.191 -3.047 288 HB2 LYS 39 1HB LYS 39 19.491 15.648 -4.620 289 HB3 LYS 39 2HB LYS 39 18.400 14.522 -5.417 290 HG2 LYS 39 1HG LYS 39 17.569 17.341 -4.842 291 HG3 LYS 39 2HG LYS 39 18.510 16.931 -6.278 292 HD2 LYS 39 1HD LYS 39 16.630 15.083 -6.533 293 HD3 LYS 39 2HD LYS 39 15.702 16.241 -5.576 294 HE2 LYS 39 1HE LYS 39 17.181 16.950 -8.104 295 HE3 LYS 39 2HE LYS 39 15.479 16.495 -8.060 296 HZ1 LYS 39 3HZ LYS 39 14.939 18.396 -6.829 297 HZ2 LYS 39 1HZ LYS 39 16.003 18.952 -8.021 298 HZ3 LYS 39 2HZ LYS 39 16.551 18.725 -6.437 299 HA PRO 40 HA PRO 40 18.657 17.356 -0.021 300 HB2 PRO 40 1HB PRO 40 21.321 17.127 0.453 301 HB3 PRO 40 2HB PRO 40 20.138 15.943 1.022 302 HG2 PRO 40 1HG PRO 40 21.925 15.833 -1.378 303 HG3 PRO 40 2HG PRO 40 21.542 14.556 -0.210 304 HD2 PRO 40 1HD PRO 40 20.362 14.707 -2.642 305 HD3 PRO 40 2HD PRO 40 19.524 14.070 -1.213 306 H SER 41 H SER 41 20.033 19.305 0.457 307 HA SER 41 HA SER 41 20.584 20.711 -2.054 308 HB2 SER 41 1HB SER 41 19.789 21.583 0.697 309 HB3 SER 41 2HB SER 41 20.645 22.718 -0.347 310 HG SER 41 HG SER 41 18.064 21.803 -0.488 311 H GLY 42 H GLY 42 22.661 20.064 -2.545 312 HA2 GLY 42 1HA GLY 42 24.865 21.302 -2.145 313 HA3 GLY 42 2HA GLY 42 24.734 20.628 -0.527 314 HA PRO 43 HA PRO 43 27.295 17.695 -2.988 315 HB2 PRO 43 1HB PRO 43 29.036 17.182 -0.970 316 HB3 PRO 43 2HB PRO 43 29.215 18.557 -2.067 317 HG2 PRO 43 1HG PRO 43 28.078 18.478 0.701 318 HG3 PRO 43 2HG PRO 43 29.172 19.670 -0.026 319 HD2 PRO 43 1HD PRO 43 26.511 20.102 0.235 320 HD3 PRO 43 2HD PRO 43 27.458 20.765 -1.112 321 H SER 44 H SER 44 26.974 15.543 -3.040 322 HA SER 44 HA SER 44 25.028 14.242 -1.646 323 HB2 SER 44 1HB SER 44 26.504 13.474 -3.673 324 HB3 SER 44 2HB SER 44 27.479 12.698 -2.426 325 HG SER 44 HG SER 44 25.867 11.350 -1.972 326 H SER 45 H SER 45 28.508 13.836 -0.960 327 HA SER 45 HA SER 45 27.798 13.390 1.864 328 HB2 SER 45 1HB SER 45 28.425 11.265 0.722 329 HB3 SER 45 2HB SER 45 30.001 11.965 0.353 330 HG SER 45 HG SER 45 29.139 12.005 3.008 331 H GLY 46 H GLY 46 28.730 14.783 3.204 332 HA2 GLY 46 1HA GLY 46 30.902 15.662 4.008 333 HA3 GLY 46 2HA GLY 46 31.241 16.078 2.334 Start of MODEL 2 1 H1 GLY 1 H GLY 1 6.128 -23.730 -9.495 2 HA2 GLY 1 1HA GLY 1 5.571 -24.997 -12.077 3 HA3 GLY 1 2HA GLY 1 4.876 -25.732 -10.640 4 H SER 2 H SER 2 2.977 -24.993 -9.911 5 HA SER 2 HA SER 2 1.888 -22.588 -11.210 6 HB2 SER 2 1HB SER 2 0.535 -24.481 -11.734 7 HB3 SER 2 2HB SER 2 0.539 -25.034 -10.059 8 HG SER 2 HG SER 2 -0.728 -23.252 -9.512 9 H SER 3 H SER 3 0.686 -21.085 -9.979 10 HA SER 3 HA SER 3 1.008 -21.273 -7.064 11 HB2 SER 3 1HB SER 3 2.786 -19.812 -8.121 12 HB3 SER 3 2HB SER 3 1.489 -18.723 -8.614 13 HG SER 3 HG SER 3 2.330 -19.394 -6.001 14 H GLY 4 H GLY 4 -0.565 -20.203 -5.832 15 HA2 GLY 4 1HA GLY 4 -2.977 -19.473 -7.370 16 HA3 GLY 4 2HA GLY 4 -2.998 -20.183 -5.763 17 H SER 5 H SER 5 -4.513 -18.170 -5.719 18 HA SER 5 HA SER 5 -3.191 -16.207 -4.121 19 HB2 SER 5 1HB SER 5 -3.504 -14.265 -5.479 20 HB3 SER 5 2HB SER 5 -2.682 -15.455 -6.489 21 HG SER 5 HG SER 5 -4.698 -14.235 -7.268 22 H SER 6 H SER 6 -4.624 -14.975 -2.907 23 HA SER 6 HA SER 6 -7.487 -15.329 -3.412 24 HB2 SER 6 1HB SER 6 -6.804 -17.105 -1.824 25 HB3 SER 6 2HB SER 6 -6.190 -15.867 -0.729 26 HG SER 6 HG SER 6 -8.548 -15.054 -1.118 27 H GLY 7 H GLY 7 -8.777 -13.652 -2.714 28 HA2 GLY 7 1HA GLY 7 -7.689 -11.561 -1.030 29 HA3 GLY 7 2HA GLY 7 -7.924 -11.096 -2.709 30 H THR 8 H THR 8 -9.243 -9.768 -0.704 31 HA THR 8 HA THR 8 -11.991 -10.247 -1.459 32 HB THR 8 HB THR 8 -11.239 -10.345 1.469 33 HG1 THR 8 HG1 THR 8 -11.859 -12.335 -0.431 34 HG21 THR 8 3HG2 THR 8 -13.387 -9.964 1.928 35 HG22 THR 8 1HG2 THR 8 -13.902 -11.222 0.804 36 HG23 THR 8 2HG2 THR 8 -13.631 -9.578 0.225 37 H GLY 9 H GLY 9 -13.138 -8.389 -1.521 38 HA2 GLY 9 1HA GLY 9 -13.658 -6.244 -0.410 39 HA3 GLY 9 2HA GLY 9 -11.924 -6.021 -0.234 40 H GLU 10 H GLU 10 -13.261 -4.001 -1.351 41 HA GLU 10 HA GLU 10 -12.799 -4.283 -4.247 42 HB2 GLU 10 1HB GLU 10 -15.137 -3.696 -3.419 43 HB3 GLU 10 2HB GLU 10 -14.468 -2.146 -2.930 44 HG2 GLU 10 1HG GLU 10 -13.968 -1.551 -5.162 45 HG3 GLU 10 2HG GLU 10 -14.276 -3.187 -5.739 46 H LYS 11 H LYS 11 -10.722 -3.668 -4.521 47 HA LYS 11 HA LYS 11 -9.992 -0.978 -3.567 48 HB2 LYS 11 1HB LYS 11 -8.105 -3.315 -3.902 49 HB3 LYS 11 2HB LYS 11 -7.697 -1.717 -3.293 50 HG2 LYS 11 1HG LYS 11 -9.271 -2.127 -1.396 51 HG3 LYS 11 2HG LYS 11 -9.433 -3.788 -1.972 52 HD2 LYS 11 1HD LYS 11 -6.744 -2.582 -1.393 53 HD3 LYS 11 2HD LYS 11 -7.721 -3.312 -0.117 54 HE2 LYS 11 1HE LYS 11 -7.206 -4.825 -2.641 55 HE3 LYS 11 2HE LYS 11 -5.953 -4.741 -1.404 56 HZ1 LYS 11 3HZ LYS 11 -7.123 -6.042 -0.001 57 HZ2 LYS 11 1HZ LYS 11 -7.826 -6.606 -1.433 58 HZ3 LYS 11 2HZ LYS 11 -8.627 -5.447 -0.497 59 HA PRO 12 HA PRO 12 -9.787 -1.032 -8.180 60 HB2 PRO 12 1HB PRO 12 -10.803 1.469 -8.471 61 HB3 PRO 12 2HB PRO 12 -11.820 0.031 -8.316 62 HG2 PRO 12 1HG PRO 12 -11.054 2.043 -6.235 63 HG3 PRO 12 2HG PRO 12 -12.632 1.295 -6.542 64 HD2 PRO 12 1HD PRO 12 -10.987 0.464 -4.558 65 HD3 PRO 12 2HD PRO 12 -12.073 -0.642 -5.425 66 H TYR 13 H TYR 13 -8.230 0.496 -5.674 67 HA TYR 13 HA TYR 13 -6.490 1.998 -7.518 68 HB2 TYR 13 1HB TYR 13 -6.893 2.561 -4.576 69 HB3 TYR 13 2HB TYR 13 -5.984 3.534 -5.727 70 HD1 TYR 13 HD2 TYR 13 -7.720 3.809 -8.000 71 HD2 TYR 13 HD1 TYR 13 -8.730 3.768 -3.867 72 HE1 TYR 13 HE2 TYR 13 -9.739 5.126 -8.486 73 HE2 TYR 13 HE1 TYR 13 -10.753 5.084 -4.342 74 HH TYR 13 HH TYR 13 -11.720 6.459 -5.948 75 H ILE 14 H ILE 14 -4.447 1.345 -7.667 76 HA ILE 14 HA ILE 14 -3.191 -0.051 -5.431 77 HB ILE 14 HB ILE 14 -3.300 -1.212 -8.218 78 HG12 ILE 14 1HG1 ILE 14 -4.330 -2.396 -5.636 79 HG13 ILE 14 2HG1 ILE 14 -5.345 -1.490 -6.753 80 HG21 ILE 14 1HG2 ILE 14 -1.660 -2.666 -7.677 81 HG22 ILE 14 2HG2 ILE 14 -1.188 -1.380 -6.566 82 HG23 ILE 14 3HG2 ILE 14 -2.140 -2.745 -5.982 83 HD11 ILE 14 3HD1 ILE 14 -4.106 -3.380 -8.347 84 HD12 ILE 14 1HD1 ILE 14 -4.480 -4.241 -6.854 85 HD13 ILE 14 2HD1 ILE 14 -5.764 -3.424 -7.746 86 H CYS 15 H CYS 15 -1.279 0.844 -5.081 87 HA CYS 15 HA CYS 15 -0.087 2.666 -6.906 88 HB2 CYS 15 1HB CYS 15 0.121 2.832 -4.432 89 HB3 CYS 15 2HB CYS 15 1.139 1.396 -4.450 90 H ALA 16 H ALA 16 0.087 1.264 -8.783 91 HA ALA 16 HA ALA 16 1.435 -1.071 -9.087 92 HB1 ALA 16 3HB ALA 16 1.376 1.344 -10.872 93 HB2 ALA 16 1HB ALA 16 2.161 -0.162 -11.349 94 HB3 ALA 16 2HB ALA 16 0.433 -0.140 -10.998 95 H GLU 17 H GLU 17 2.894 2.153 -8.853 96 HA GLU 17 HA GLU 17 5.475 1.829 -9.434 97 HB2 GLU 17 1HB GLU 17 4.187 3.214 -7.116 98 HB3 GLU 17 2HB GLU 17 5.941 3.153 -7.208 99 HG2 GLU 17 1HG GLU 17 5.807 4.173 -9.463 100 HG3 GLU 17 2HG GLU 17 4.067 4.342 -9.238 101 H CYS 18 H CYS 18 4.186 0.916 -6.234 102 HA CYS 18 HA CYS 18 6.482 -0.902 -5.928 103 HB2 CYS 18 1HB CYS 18 6.010 -0.775 -3.487 104 HB3 CYS 18 2HB CYS 18 6.430 0.782 -4.193 105 H GLY 19 H GLY 19 3.000 -0.616 -5.239 106 HA2 GLY 19 1HA GLY 19 1.669 -2.552 -6.110 107 HA3 GLY 19 2HA GLY 19 2.858 -3.567 -5.307 108 H LYS 20 H LYS 20 1.048 -0.667 -4.302 109 HA LYS 20 HA LYS 20 0.215 -2.153 -1.900 110 HB2 LYS 20 1HB LYS 20 1.663 -0.014 -1.735 111 HB3 LYS 20 2HB LYS 20 0.182 0.843 -2.144 112 HG2 LYS 20 1HG LYS 20 -0.842 0.303 -0.153 113 HG3 LYS 20 2HG LYS 20 0.177 -1.114 0.108 114 HD2 LYS 20 1HD LYS 20 2.105 0.600 0.296 115 HD3 LYS 20 2HD LYS 20 0.817 1.782 0.542 116 HE2 LYS 20 1HE LYS 20 0.939 -0.746 2.151 117 HE3 LYS 20 2HE LYS 20 1.883 0.671 2.608 118 HZ1 LYS 20 3HZ LYS 20 -1.065 0.635 2.251 119 HZ2 LYS 20 1HZ LYS 20 -0.137 1.952 2.766 120 HZ3 LYS 20 2HZ LYS 20 -0.267 0.576 3.741 121 H ALA 21 H ALA 21 -1.908 -2.317 -1.384 122 HA ALA 21 HA ALA 21 -3.820 -1.444 -3.409 123 HB1 ALA 21 3HB ALA 21 -5.192 -3.141 -2.726 124 HB2 ALA 21 1HB ALA 21 -3.624 -3.817 -2.283 125 HB3 ALA 21 2HB ALA 21 -4.641 -3.064 -1.053 126 H PHE 22 H PHE 22 -5.288 0.121 -3.111 127 HA PHE 22 HA PHE 22 -5.657 1.190 -0.394 128 HB2 PHE 22 1HB PHE 22 -5.102 2.699 -2.941 129 HB3 PHE 22 2HB PHE 22 -5.884 3.468 -1.564 130 HD1 PHE 22 HD1 PHE 22 -4.654 3.442 0.665 131 HD2 PHE 22 HD2 PHE 22 -2.786 2.521 -3.047 132 HE1 PHE 22 HE1 PHE 22 -2.451 3.891 1.666 133 HE2 PHE 22 HE2 PHE 22 -0.580 2.967 -2.052 134 HZ PHE 22 HZ PHE 22 -0.411 3.652 0.307 135 H THR 23 H THR 23 -7.608 2.778 -0.414 136 HA THR 23 HA THR 23 -9.770 1.572 -2.015 137 HB THR 23 HB THR 23 -11.303 1.944 -0.137 138 HG1 THR 23 HG1 THR 23 -8.986 3.066 1.005 139 HG21 THR 23 3HG2 THR 23 -8.910 0.427 0.883 140 HG22 THR 23 1HG2 THR 23 -9.951 -0.191 -0.398 141 HG23 THR 23 2HG2 THR 23 -10.616 0.119 1.206 142 H ILE 24 H ILE 24 -8.604 4.477 -0.372 143 HA ILE 24 HA ILE 24 -10.587 6.099 -1.786 144 HB ILE 24 HB ILE 24 -8.565 7.073 0.226 145 HG12 ILE 24 1HG1 ILE 24 -11.425 6.292 0.805 146 HG13 ILE 24 2HG1 ILE 24 -10.058 5.225 1.105 147 HG21 ILE 24 1HG2 ILE 24 -11.168 8.199 -0.794 148 HG22 ILE 24 2HG2 ILE 24 -10.223 8.890 0.523 149 HG23 ILE 24 3HG2 ILE 24 -9.548 8.822 -1.105 150 HD11 ILE 24 3HD1 ILE 24 -9.566 6.249 3.008 151 HD12 ILE 24 1HD1 ILE 24 -9.669 7.846 2.269 152 HD13 ILE 24 2HD1 ILE 24 -11.128 7.053 2.862 153 H ARG 25 H ARG 25 -10.054 6.847 -3.721 154 HA ARG 25 HA ARG 25 -7.728 6.722 -5.068 155 HB2 ARG 25 1HB ARG 25 -9.824 7.546 -6.047 156 HB3 ARG 25 2HB ARG 25 -9.645 9.057 -5.165 157 HG2 ARG 25 1HG ARG 25 -8.906 9.571 -7.303 158 HG3 ARG 25 2HG ARG 25 -7.413 9.290 -6.403 159 HD2 ARG 25 1HD ARG 25 -7.262 7.044 -7.301 160 HD3 ARG 25 2HD ARG 25 -8.804 7.247 -8.132 161 HE ARG 25 HE ARG 25 -7.032 9.270 -8.951 162 HH11 ARG 25 1HH1 ARG 25 -7.526 5.837 -9.254 163 HH12 ARG 25 2HH1 ARG 25 -6.755 5.731 -10.802 164 HH21 ARG 25 1HH2 ARG 25 -6.013 9.142 -10.988 165 HH22 ARG 25 2HH2 ARG 25 -5.893 7.611 -11.787 166 H SER 26 H SER 26 -8.587 9.195 -2.709 167 HA SER 26 HA SER 26 -6.338 10.859 -3.149 168 HB2 SER 26 1HB SER 26 -8.592 11.273 -1.829 169 HB3 SER 26 2HB SER 26 -7.636 10.709 -0.459 170 HG SER 26 HG SER 26 -7.167 12.798 -0.456 171 H ASN 27 H ASN 27 -7.008 8.327 -0.747 172 HA ASN 27 HA ASN 27 -4.775 8.450 0.816 173 HB2 ASN 27 1HB ASN 27 -6.694 6.834 1.045 174 HB3 ASN 27 2HB ASN 27 -5.938 5.855 -0.208 175 HD21 ASN 27 1HD2 ASN 27 -6.336 4.582 2.028 176 HD22 ASN 27 2HD2 ASN 27 -4.888 4.399 2.953 177 H LEU 28 H LEU 28 -5.050 6.998 -2.392 178 HA LEU 28 HA LEU 28 -2.426 5.915 -2.448 179 HB2 LEU 28 1HB LEU 28 -4.044 5.006 -3.924 180 HB3 LEU 28 2HB LEU 28 -4.413 6.591 -4.601 181 HG LEU 28 HG LEU 28 -2.119 6.617 -5.593 182 HD11 LEU 28 1HD1 LEU 28 -0.813 5.151 -4.389 183 HD12 LEU 28 2HD1 LEU 28 -1.187 4.198 -5.825 184 HD13 LEU 28 3HD1 LEU 28 -2.070 3.915 -4.324 185 HD21 LEU 28 3HD2 LEU 28 -4.430 5.448 -6.503 186 HD22 LEU 28 1HD2 LEU 28 -3.228 4.181 -6.748 187 HD23 LEU 28 2HD2 LEU 28 -2.990 5.773 -7.469 188 H ILE 29 H ILE 29 -3.829 8.825 -3.954 189 HA ILE 29 HA ILE 29 -1.680 9.881 -5.232 190 HB ILE 29 HB ILE 29 -3.682 11.392 -3.550 191 HG12 ILE 29 1HG1 ILE 29 -3.633 11.091 -6.548 192 HG13 ILE 29 2HG1 ILE 29 -4.448 9.923 -5.514 193 HG21 ILE 29 1HG2 ILE 29 -1.611 12.684 -4.010 194 HG22 ILE 29 2HG2 ILE 29 -1.907 12.468 -5.734 195 HG23 ILE 29 3HG2 ILE 29 -3.054 13.376 -4.750 196 HD11 ILE 29 3HD1 ILE 29 -5.452 12.290 -4.605 197 HD12 ILE 29 1HD1 ILE 29 -5.262 12.598 -6.330 198 HD13 ILE 29 2HD1 ILE 29 -6.230 11.230 -5.780 199 H LYS 30 H LYS 30 -2.416 10.331 -1.777 200 HA LYS 30 HA LYS 30 -0.163 11.880 -1.155 201 HB2 LYS 30 1HB LYS 30 -2.095 11.689 0.337 202 HB3 LYS 30 2HB LYS 30 -1.729 9.991 0.613 203 HG2 LYS 30 1HG LYS 30 0.426 10.659 1.622 204 HG3 LYS 30 2HG LYS 30 -0.044 12.349 1.428 205 HD2 LYS 30 1HD LYS 30 -2.159 11.672 2.750 206 HD3 LYS 30 2HD LYS 30 -1.220 10.254 3.222 207 HE2 LYS 30 1HE LYS 30 -0.918 11.876 4.927 208 HE3 LYS 30 2HE LYS 30 0.577 11.836 3.994 209 HZ1 LYS 30 3HZ LYS 30 -1.584 13.822 3.560 210 HZ2 LYS 30 1HZ LYS 30 -0.037 13.829 2.877 211 HZ3 LYS 30 2HZ LYS 30 -0.230 14.102 4.535 212 H HIS 31 H HIS 31 -0.682 8.372 -0.955 213 HA HIS 31 HA HIS 31 1.720 7.609 0.175 214 HB2 HIS 31 1HB HIS 31 0.061 5.944 -0.121 215 HB3 HIS 31 2HB HIS 31 -0.041 6.242 -1.854 216 HD1 HIS 31 HD1 HIS 31 1.770 4.265 0.676 217 HD2 HIS 31 HD2 HIS 31 2.151 5.175 -3.360 218 HE1 HIS 31 HE1 HIS 31 3.421 2.602 -0.236 219 H GLN 32 H GLN 32 0.982 8.125 -3.262 220 HA GLN 32 HA GLN 32 3.291 7.346 -4.467 221 HB2 GLN 32 1HB GLN 32 1.417 9.613 -5.011 222 HB3 GLN 32 2HB GLN 32 2.884 9.464 -5.968 223 HG2 GLN 32 1HG GLN 32 2.217 7.199 -6.620 224 HG3 GLN 32 2HG GLN 32 0.732 7.380 -5.687 225 HE21 GLN 32 1HE2 GLN 32 0.753 6.783 -8.399 226 HE22 GLN 32 2HE2 GLN 32 0.079 8.115 -9.268 227 H LYS 33 H LYS 33 2.899 9.949 -2.251 228 HA LYS 33 HA LYS 33 4.919 11.699 -2.863 229 HB2 LYS 33 1HB LYS 33 3.927 10.694 -0.203 230 HB3 LYS 33 2HB LYS 33 5.171 11.933 -0.317 231 HG2 LYS 33 1HG LYS 33 2.548 12.242 -1.727 232 HG3 LYS 33 2HG LYS 33 2.732 12.667 -0.024 233 HD2 LYS 33 1HD LYS 33 4.798 14.015 -0.878 234 HD3 LYS 33 2HD LYS 33 3.981 13.911 -2.439 235 HE2 LYS 33 1HE LYS 33 3.173 15.903 -1.582 236 HE3 LYS 33 2HE LYS 33 1.910 14.757 -1.134 237 HZ1 LYS 33 3HZ LYS 33 3.704 14.714 0.947 238 HZ2 LYS 33 1HZ LYS 33 2.183 15.455 0.938 239 HZ3 LYS 33 2HZ LYS 33 3.562 16.350 0.542 240 H ILE 34 H ILE 34 5.234 8.734 -0.912 241 HA ILE 34 HA ILE 34 7.957 8.869 -0.405 242 HB ILE 34 HB ILE 34 7.912 6.483 -0.023 243 HG12 ILE 34 1HG1 ILE 34 5.096 6.248 -0.987 244 HG13 ILE 34 2HG1 ILE 34 6.390 6.214 -2.180 245 HG21 ILE 34 1HG2 ILE 34 6.953 7.232 1.858 246 HG22 ILE 34 2HG2 ILE 34 5.818 8.259 0.984 247 HG23 ILE 34 3HG2 ILE 34 5.473 6.542 1.193 248 HD11 ILE 34 3HD1 ILE 34 6.947 4.466 0.052 249 HD12 ILE 34 1HD1 ILE 34 5.417 4.075 -0.731 250 HD13 ILE 34 2HD1 ILE 34 6.905 4.119 -1.676 251 H HIS 35 H HIS 35 6.339 8.290 -3.362 252 HA HIS 35 HA HIS 35 8.723 7.120 -4.596 253 HB2 HIS 35 1HB HIS 35 5.897 7.474 -5.606 254 HB3 HIS 35 2HB HIS 35 7.214 6.850 -6.595 255 HD1 HIS 35 HD1 HIS 35 8.357 4.582 -5.600 256 HD2 HIS 35 HD2 HIS 35 4.583 5.577 -4.176 257 HE1 HIS 35 HE1 HIS 35 7.444 2.471 -4.582 258 H THR 36 H THR 36 8.290 10.003 -3.733 259 HA THR 36 HA THR 36 8.917 11.241 -6.335 260 HB THR 36 HB THR 36 7.820 12.820 -4.028 261 HG1 THR 36 HG1 THR 36 6.461 11.075 -5.737 262 HG21 THR 36 3HG2 THR 36 8.622 14.249 -5.683 263 HG22 THR 36 1HG2 THR 36 6.909 14.116 -6.078 264 HG23 THR 36 2HG2 THR 36 8.099 13.188 -6.990 265 H LYS 37 H LYS 37 10.922 10.048 -4.884 266 HA LYS 37 HA LYS 37 12.315 12.287 -3.579 267 HB2 LYS 37 1HB LYS 37 11.931 9.984 -2.424 268 HB3 LYS 37 2HB LYS 37 13.241 9.434 -3.460 269 HG2 LYS 37 1HG LYS 37 14.227 10.013 -1.404 270 HG3 LYS 37 2HG LYS 37 14.618 11.326 -2.518 271 HD2 LYS 37 1HD LYS 37 12.580 12.523 -1.585 272 HD3 LYS 37 2HD LYS 37 12.569 11.298 -0.314 273 HE2 LYS 37 1HE LYS 37 15.017 12.922 -0.944 274 HE3 LYS 37 2HE LYS 37 13.779 13.496 0.171 275 HZ1 LYS 37 3HZ LYS 37 15.452 12.417 1.435 276 HZ2 LYS 37 1HZ LYS 37 15.438 11.052 0.434 277 HZ3 LYS 37 2HZ LYS 37 14.110 11.387 1.425 278 H GLN 38 H GLN 38 14.423 12.821 -4.176 279 HA GLN 38 HA GLN 38 15.074 12.899 -6.823 280 HB2 GLN 38 1HB GLN 38 16.667 13.113 -4.320 281 HB3 GLN 38 2HB GLN 38 17.551 12.955 -5.832 282 HG2 GLN 38 1HG GLN 38 16.082 14.889 -6.657 283 HG3 GLN 38 2HG GLN 38 15.707 15.142 -4.954 284 HE21 GLN 38 1HE2 GLN 38 17.091 16.261 -3.742 285 HE22 GLN 38 2HE2 GLN 38 18.660 16.780 -4.244 286 H LYS 39 H LYS 39 16.639 11.801 -8.130 287 HA LYS 39 HA LYS 39 17.437 9.920 -9.136 288 HB2 LYS 39 1HB LYS 39 19.071 10.209 -7.261 289 HB3 LYS 39 2HB LYS 39 18.113 9.079 -6.313 290 HG2 LYS 39 1HG LYS 39 18.632 7.281 -7.740 291 HG3 LYS 39 2HG LYS 39 19.267 8.356 -8.988 292 HD2 LYS 39 1HD LYS 39 20.525 8.345 -6.279 293 HD3 LYS 39 2HD LYS 39 20.895 7.043 -7.413 294 HE2 LYS 39 1HE LYS 39 21.371 8.938 -9.092 295 HE3 LYS 39 2HE LYS 39 21.430 9.983 -7.674 296 HZ1 LYS 39 3HZ LYS 39 23.555 9.379 -7.549 297 HZ2 LYS 39 1HZ LYS 39 23.360 8.088 -8.625 298 HZ3 LYS 39 2HZ LYS 39 23.005 7.882 -6.985 299 HA PRO 40 HA PRO 40 13.626 7.523 -7.702 300 HB2 PRO 40 1HB PRO 40 12.098 8.014 -9.891 301 HB3 PRO 40 2HB PRO 40 12.098 9.059 -8.465 302 HG2 PRO 40 1HG PRO 40 13.544 9.400 -11.064 303 HG3 PRO 40 2HG PRO 40 12.670 10.607 -10.103 304 HD2 PRO 40 1HD PRO 40 15.368 10.386 -10.060 305 HD3 PRO 40 2HD PRO 40 14.430 10.904 -8.645 306 H SER 41 H SER 41 12.754 5.603 -8.729 307 HA SER 41 HA SER 41 14.722 4.114 -10.107 308 HB2 SER 41 1HB SER 41 13.162 2.305 -10.077 309 HB3 SER 41 2HB SER 41 12.920 3.197 -8.575 310 HG SER 41 HG SER 41 11.283 4.355 -10.113 311 H GLY 42 H GLY 42 13.998 2.792 -12.141 312 HA2 GLY 42 1HA GLY 42 12.366 4.183 -14.047 313 HA3 GLY 42 2HA GLY 42 14.082 4.399 -14.356 314 HA PRO 43 HA PRO 43 12.306 0.205 -15.899 315 HB2 PRO 43 1HB PRO 43 11.592 0.866 -18.433 316 HB3 PRO 43 2HB PRO 43 10.467 0.927 -17.071 317 HG2 PRO 43 1HG PRO 43 11.999 3.151 -18.363 318 HG3 PRO 43 2HG PRO 43 10.310 3.121 -17.824 319 HD2 PRO 43 1HD PRO 43 12.282 4.276 -16.372 320 HD3 PRO 43 2HD PRO 43 10.874 3.498 -15.621 321 H SER 44 H SER 44 14.286 -0.714 -16.062 322 HA SER 44 HA SER 44 16.321 0.361 -17.800 323 HB2 SER 44 1HB SER 44 16.212 -2.112 -16.065 324 HB3 SER 44 2HB SER 44 17.613 -1.674 -17.042 325 HG SER 44 HG SER 44 17.987 -0.795 -15.072 326 H SER 45 H SER 45 17.364 -0.891 -19.484 327 HA SER 45 HA SER 45 15.704 -2.979 -20.697 328 HB2 SER 45 1HB SER 45 16.577 -0.416 -22.028 329 HB3 SER 45 2HB SER 45 16.129 -1.849 -22.953 330 HG SER 45 HG SER 45 14.444 -0.695 -20.991 331 H GLY 46 H GLY 46 16.822 -4.354 -22.164 332 HA2 GLY 46 1HA GLY 46 19.753 -4.062 -22.168 333 HA3 GLY 46 2HA GLY 46 19.026 -5.570 -21.636 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -1.922 -27.565 1.547 2 HA2 GLY 1 1HA GLY 1 -0.904 -25.421 1.267 3 HA3 GLY 1 2HA GLY 1 -2.028 -25.096 -0.045 4 H SER 2 H SER 2 -1.440 -23.420 2.233 5 HA SER 2 HA SER 2 -4.003 -23.495 3.677 6 HB2 SER 2 1HB SER 2 -1.912 -23.570 5.050 7 HB3 SER 2 2HB SER 2 -1.493 -21.976 4.424 8 HG SER 2 HG SER 2 -2.764 -22.275 6.538 9 H SER 3 H SER 3 -5.257 -22.466 2.114 10 HA SER 3 HA SER 3 -5.053 -19.587 2.119 11 HB2 SER 3 1HB SER 3 -5.035 -19.339 -0.321 12 HB3 SER 3 2HB SER 3 -3.587 -20.184 0.226 13 HG SER 3 HG SER 3 -4.415 -22.086 -0.515 14 H GLY 4 H GLY 4 -7.026 -18.689 2.104 15 HA2 GLY 4 1HA GLY 4 -9.293 -20.434 1.362 16 HA3 GLY 4 2HA GLY 4 -9.354 -19.246 2.655 17 H SER 5 H SER 5 -11.292 -19.236 0.740 18 HA SER 5 HA SER 5 -10.614 -17.305 -1.308 19 HB2 SER 5 1HB SER 5 -12.235 -19.216 -1.659 20 HB3 SER 5 2HB SER 5 -13.361 -18.357 -0.607 21 HG SER 5 HG SER 5 -12.228 -17.303 -2.988 22 H SER 6 H SER 6 -10.546 -15.207 -0.901 23 HA SER 6 HA SER 6 -12.621 -13.989 0.748 24 HB2 SER 6 1HB SER 6 -10.649 -14.504 2.235 25 HB3 SER 6 2HB SER 6 -9.697 -13.395 1.248 26 HG SER 6 HG SER 6 -11.615 -11.913 1.781 27 H GLY 7 H GLY 7 -13.369 -12.195 -0.179 28 HA2 GLY 7 1HA GLY 7 -12.156 -11.214 -2.592 29 HA3 GLY 7 2HA GLY 7 -13.618 -10.601 -1.835 30 H THR 8 H THR 8 -13.414 -8.513 -1.417 31 HA THR 8 HA THR 8 -12.370 -6.477 -1.091 32 HB THR 8 HB THR 8 -11.355 -6.342 1.207 33 HG1 THR 8 HG1 THR 8 -10.964 -8.136 2.297 34 HG21 THR 8 3HG2 THR 8 -14.025 -7.736 0.971 35 HG22 THR 8 1HG2 THR 8 -13.745 -5.998 0.872 36 HG23 THR 8 2HG2 THR 8 -13.455 -6.853 2.387 37 H GLY 9 H GLY 9 -10.818 -7.978 -2.858 38 HA2 GLY 9 1HA GLY 9 -8.082 -7.287 -1.974 39 HA3 GLY 9 2HA GLY 9 -8.436 -8.669 -3.000 40 H GLU 10 H GLU 10 -10.268 -7.473 -4.757 41 HA GLU 10 HA GLU 10 -8.448 -6.143 -6.520 42 HB2 GLU 10 1HB GLU 10 -11.422 -6.616 -6.788 43 HB3 GLU 10 2HB GLU 10 -10.358 -6.065 -8.074 44 HG2 GLU 10 1HG GLU 10 -9.272 -8.125 -8.222 45 HG3 GLU 10 2HG GLU 10 -9.870 -8.653 -6.650 46 H LYS 11 H LYS 11 -7.886 -4.223 -5.452 47 HA LYS 11 HA LYS 11 -9.937 -2.310 -4.748 48 HB2 LYS 11 1HB LYS 11 -6.951 -1.873 -4.834 49 HB3 LYS 11 2HB LYS 11 -8.143 -0.925 -3.955 50 HG2 LYS 11 1HG LYS 11 -7.923 -3.817 -3.323 51 HG3 LYS 11 2HG LYS 11 -6.645 -2.736 -2.760 52 HD2 LYS 11 1HD LYS 11 -8.067 -2.588 -0.981 53 HD3 LYS 11 2HD LYS 11 -8.724 -1.289 -1.979 54 HE2 LYS 11 1HE LYS 11 -10.510 -2.697 -1.119 55 HE3 LYS 11 2HE LYS 11 -10.402 -2.833 -2.874 56 HZ1 LYS 11 3HZ LYS 11 -10.083 -4.852 -0.877 57 HZ2 LYS 11 1HZ LYS 11 -8.770 -4.811 -1.942 58 HZ3 LYS 11 2HZ LYS 11 -10.338 -5.015 -2.542 59 HA PRO 12 HA PRO 12 -10.112 -0.144 -8.568 60 HB2 PRO 12 1HB PRO 12 -10.745 2.342 -7.681 61 HB3 PRO 12 2HB PRO 12 -11.896 1.001 -7.681 62 HG2 PRO 12 1HG PRO 12 -10.249 2.082 -5.428 63 HG3 PRO 12 2HG PRO 12 -11.949 1.580 -5.430 64 HD2 PRO 12 1HD PRO 12 -9.966 0.003 -4.475 65 HD3 PRO 12 2HD PRO 12 -11.419 -0.656 -5.252 66 H TYR 13 H TYR 13 -7.870 0.701 -6.104 67 HA TYR 13 HA TYR 13 -6.146 1.955 -8.103 68 HB2 TYR 13 1HB TYR 13 -6.482 3.203 -5.379 69 HB3 TYR 13 2HB TYR 13 -5.645 3.863 -6.779 70 HD1 TYR 13 HD2 TYR 13 -7.264 4.057 -8.937 71 HD2 TYR 13 HD1 TYR 13 -8.525 4.131 -4.874 72 HE1 TYR 13 HE2 TYR 13 -9.308 5.254 -9.599 73 HE2 TYR 13 HE1 TYR 13 -10.573 5.327 -5.525 74 HH TYR 13 HH TYR 13 -11.182 6.927 -7.623 75 H ILE 14 H ILE 14 -4.200 1.061 -8.043 76 HA ILE 14 HA ILE 14 -3.123 0.124 -5.482 77 HB ILE 14 HB ILE 14 -3.131 -1.521 -8.015 78 HG12 ILE 14 1HG1 ILE 14 -4.427 -2.076 -5.338 79 HG13 ILE 14 2HG1 ILE 14 -5.284 -1.478 -6.755 80 HG21 ILE 14 1HG2 ILE 14 -1.628 -2.939 -7.097 81 HG22 ILE 14 2HG2 ILE 14 -1.134 -1.487 -6.229 82 HG23 ILE 14 3HG2 ILE 14 -2.200 -2.657 -5.454 83 HD11 ILE 14 3HD1 ILE 14 -4.929 -4.112 -6.040 84 HD12 ILE 14 1HD1 ILE 14 -5.460 -3.516 -7.612 85 HD13 ILE 14 2HD1 ILE 14 -3.754 -3.867 -7.332 86 H CYS 15 H CYS 15 -1.230 1.071 -5.174 87 HA CYS 15 HA CYS 15 0.167 2.574 -7.039 88 HB2 CYS 15 1HB CYS 15 0.466 2.723 -4.578 89 HB3 CYS 15 2HB CYS 15 1.324 1.186 -4.612 90 H ALA 16 H ALA 16 1.629 2.151 -8.581 91 HA ALA 16 HA ALA 16 2.280 -0.649 -9.102 92 HB1 ALA 16 3HB ALA 16 3.338 0.824 -11.178 93 HB2 ALA 16 1HB ALA 16 1.767 0.021 -11.165 94 HB3 ALA 16 2HB ALA 16 1.890 1.726 -10.730 95 H GLU 17 H GLU 17 3.728 2.249 -7.947 96 HA GLU 17 HA GLU 17 6.410 1.815 -8.642 97 HB2 GLU 17 1HB GLU 17 5.143 3.261 -6.318 98 HB3 GLU 17 2HB GLU 17 6.881 3.232 -6.581 99 HG2 GLU 17 1HG GLU 17 6.775 4.599 -8.397 100 HG3 GLU 17 2HG GLU 17 5.151 4.075 -8.837 101 H CYS 18 H CYS 18 4.505 0.704 -5.881 102 HA CYS 18 HA CYS 18 6.733 -1.085 -5.161 103 HB2 CYS 18 1HB CYS 18 5.754 -1.031 -2.831 104 HB3 CYS 18 2HB CYS 18 6.490 0.473 -3.373 105 H GLY 19 H GLY 19 3.195 -0.716 -5.093 106 HA2 GLY 19 1HA GLY 19 1.927 -2.537 -6.189 107 HA3 GLY 19 2HA GLY 19 3.002 -3.654 -5.362 108 H LYS 20 H LYS 20 1.581 -0.766 -3.939 109 HA LYS 20 HA LYS 20 0.360 -2.435 -1.883 110 HB2 LYS 20 1HB LYS 20 1.773 -0.362 -1.394 111 HB3 LYS 20 2HB LYS 20 0.402 0.578 -1.968 112 HG2 LYS 20 1HG LYS 20 -0.985 -0.212 -0.212 113 HG3 LYS 20 2HG LYS 20 0.204 -1.426 0.264 114 HD2 LYS 20 1HD LYS 20 1.769 0.593 0.653 115 HD3 LYS 20 2HD LYS 20 0.283 1.547 0.642 116 HE2 LYS 20 1HE LYS 20 0.467 -0.888 2.362 117 HE3 LYS 20 2HE LYS 20 1.234 0.610 2.888 118 HZ1 LYS 20 3HZ LYS 20 -1.598 0.527 2.041 119 HZ2 LYS 20 1HZ LYS 20 -0.808 1.711 2.956 120 HZ3 LYS 20 2HZ LYS 20 -1.137 0.197 3.635 121 H ALA 21 H ALA 21 -1.831 -1.734 -1.070 122 HA ALA 21 HA ALA 21 -3.584 -1.098 -3.355 123 HB1 ALA 21 3HB ALA 21 -3.588 -3.346 -1.577 124 HB2 ALA 21 1HB ALA 21 -5.099 -2.450 -1.416 125 HB3 ALA 21 2HB ALA 21 -4.589 -3.043 -2.997 126 H PHE 22 H PHE 22 -5.450 0.151 -2.950 127 HA PHE 22 HA PHE 22 -5.696 1.406 -0.327 128 HB2 PHE 22 1HB PHE 22 -5.359 2.995 -2.880 129 HB3 PHE 22 2HB PHE 22 -5.733 3.668 -1.296 130 HD1 PHE 22 HD2 PHE 22 -3.147 2.019 -3.324 131 HD2 PHE 22 HD1 PHE 22 -4.042 3.974 0.350 132 HE1 PHE 22 HE2 PHE 22 -0.742 2.205 -2.841 133 HE2 PHE 22 HE1 PHE 22 -1.638 4.164 0.838 134 HZ PHE 22 HZ PHE 22 0.016 3.278 -0.757 135 H THR 23 H THR 23 -7.667 2.861 -0.265 136 HA THR 23 HA THR 23 -9.808 1.643 -1.883 137 HB THR 23 HB THR 23 -10.021 2.845 0.884 138 HG1 THR 23 HG1 THR 23 -10.470 0.133 0.240 139 HG21 THR 23 3HG2 THR 23 -12.123 3.176 -0.044 140 HG22 THR 23 1HG2 THR 23 -12.292 1.591 0.708 141 HG23 THR 23 2HG2 THR 23 -12.029 1.718 -1.031 142 H ILE 24 H ILE 24 -8.720 4.655 -0.363 143 HA ILE 24 HA ILE 24 -10.593 6.154 -2.055 144 HB ILE 24 HB ILE 24 -8.916 7.312 0.160 145 HG12 ILE 24 1HG1 ILE 24 -11.716 6.186 0.380 146 HG13 ILE 24 2HG1 ILE 24 -10.270 5.442 1.052 147 HG21 ILE 24 1HG2 ILE 24 -10.713 9.007 0.188 148 HG22 ILE 24 2HG2 ILE 24 -9.870 8.925 -1.358 149 HG23 ILE 24 3HG2 ILE 24 -11.465 8.194 -1.184 150 HD11 ILE 24 3HD1 ILE 24 -10.717 6.551 2.915 151 HD12 ILE 24 1HD1 ILE 24 -10.230 8.015 2.061 152 HD13 ILE 24 2HD1 ILE 24 -11.931 7.549 2.115 153 H ARG 25 H ARG 25 -9.911 7.432 -3.671 154 HA ARG 25 HA ARG 25 -7.495 7.173 -4.910 155 HB2 ARG 25 1HB ARG 25 -8.795 9.862 -4.986 156 HB3 ARG 25 2HB ARG 25 -8.123 8.907 -6.301 157 HG2 ARG 25 1HG ARG 25 -10.328 8.673 -6.771 158 HG3 ARG 25 2HG ARG 25 -10.133 7.304 -5.674 159 HD2 ARG 25 1HD ARG 25 -11.970 8.270 -4.734 160 HD3 ARG 25 2HD ARG 25 -10.711 9.146 -3.864 161 HE ARG 25 HE ARG 25 -11.118 10.750 -5.956 162 HH11 ARG 25 1HH1 ARG 25 -13.361 9.176 -3.809 163 HH12 ARG 25 2HH1 ARG 25 -14.566 10.413 -3.950 164 HH21 ARG 25 1HH2 ARG 25 -12.697 12.385 -6.151 165 HH22 ARG 25 2HH2 ARG 25 -14.188 12.237 -5.283 166 H SER 26 H SER 26 -8.378 9.647 -2.521 167 HA SER 26 HA SER 26 -5.938 11.043 -2.567 168 HB2 SER 26 1HB SER 26 -8.052 11.899 -1.555 169 HB3 SER 26 2HB SER 26 -7.838 10.759 -0.227 170 HG SER 26 HG SER 26 -7.005 13.039 -0.019 171 H ASN 27 H ASN 27 -7.007 8.225 -0.757 172 HA ASN 27 HA ASN 27 -4.938 8.081 1.114 173 HB2 ASN 27 1HB ASN 27 -7.115 6.675 0.897 174 HB3 ASN 27 2HB ASN 27 -6.138 5.615 -0.115 175 HD21 ASN 27 1HD2 ASN 27 -7.317 4.836 2.295 176 HD22 ASN 27 2HD2 ASN 27 -6.061 4.473 3.425 177 H LEU 28 H LEU 28 -5.080 7.088 -2.245 178 HA LEU 28 HA LEU 28 -2.473 5.810 -2.107 179 HB2 LEU 28 1HB LEU 28 -3.940 4.662 -3.508 180 HB3 LEU 28 2HB LEU 28 -4.547 6.146 -4.240 181 HG LEU 28 HG LEU 28 -2.140 6.347 -5.203 182 HD11 LEU 28 1HD1 LEU 28 -2.292 3.398 -4.598 183 HD12 LEU 28 2HD1 LEU 28 -1.148 4.550 -3.908 184 HD13 LEU 28 3HD1 LEU 28 -1.091 4.174 -5.630 185 HD21 LEU 28 3HD2 LEU 28 -4.435 5.709 -6.301 186 HD22 LEU 28 1HD2 LEU 28 -3.693 4.113 -6.419 187 HD23 LEU 28 2HD2 LEU 28 -2.923 5.502 -7.187 188 H ILE 29 H ILE 29 -3.959 8.721 -3.422 189 HA ILE 29 HA ILE 29 -1.789 9.652 -4.929 190 HB ILE 29 HB ILE 29 -3.925 11.231 -3.493 191 HG12 ILE 29 1HG1 ILE 29 -3.844 10.807 -6.447 192 HG13 ILE 29 2HG1 ILE 29 -4.384 9.475 -5.431 193 HG21 ILE 29 1HG2 ILE 29 -1.557 12.116 -4.815 194 HG22 ILE 29 2HG2 ILE 29 -2.961 12.604 -5.762 195 HG23 ILE 29 3HG2 ILE 29 -2.834 13.075 -4.068 196 HD11 ILE 29 3HD1 ILE 29 -5.862 11.687 -6.347 197 HD12 ILE 29 1HD1 ILE 29 -6.390 10.382 -5.284 198 HD13 ILE 29 2HD1 ILE 29 -5.703 11.854 -4.598 199 H LYS 30 H LYS 30 -2.489 9.842 -1.504 200 HA LYS 30 HA LYS 30 -0.376 11.721 -0.953 201 HB2 LYS 30 1HB LYS 30 -2.504 11.479 0.399 202 HB3 LYS 30 2HB LYS 30 -1.839 9.978 1.030 203 HG2 LYS 30 1HG LYS 30 0.160 11.359 1.776 204 HG3 LYS 30 2HG LYS 30 -0.836 12.776 1.434 205 HD2 LYS 30 1HD LYS 30 -1.972 10.605 3.128 206 HD3 LYS 30 2HD LYS 30 -0.775 11.692 3.837 207 HE2 LYS 30 1HE LYS 30 -2.815 12.714 4.321 208 HE3 LYS 30 2HE LYS 30 -2.237 13.583 2.901 209 HZ1 LYS 30 3HZ LYS 30 -3.980 12.912 1.720 210 HZ2 LYS 30 1HZ LYS 30 -4.676 12.400 3.175 211 HZ3 LYS 30 2HZ LYS 30 -3.819 11.302 2.215 212 H HIS 31 H HIS 31 -0.552 8.393 -1.509 213 HA HIS 31 HA HIS 31 1.812 7.777 0.090 214 HB2 HIS 31 1HB HIS 31 0.314 6.016 0.285 215 HB3 HIS 31 2HB HIS 31 -0.217 6.145 -1.389 216 HD1 HIS 31 HD1 HIS 31 2.330 4.532 0.779 217 HD2 HIS 31 HD2 HIS 31 1.450 4.840 -3.270 218 HE1 HIS 31 HE1 HIS 31 3.723 2.767 -0.348 219 H GLN 32 H GLN 32 0.785 7.256 -3.290 220 HA GLN 32 HA GLN 32 3.058 6.466 -4.478 221 HB2 GLN 32 1HB GLN 32 0.965 8.402 -5.404 222 HB3 GLN 32 2HB GLN 32 2.353 8.055 -6.427 223 HG2 GLN 32 1HG GLN 32 1.765 5.628 -6.241 224 HG3 GLN 32 2HG GLN 32 0.274 6.123 -5.441 225 HE21 GLN 32 1HE2 GLN 32 -0.571 4.883 -7.336 226 HE22 GLN 32 2HE2 GLN 32 -0.877 5.768 -8.787 227 H LYS 33 H LYS 33 2.487 9.612 -3.112 228 HA LYS 33 HA LYS 33 4.492 11.103 -4.339 229 HB2 LYS 33 1HB LYS 33 4.307 12.626 -2.524 230 HB3 LYS 33 2HB LYS 33 2.704 11.941 -2.762 231 HG2 LYS 33 1HG LYS 33 3.185 10.348 -0.907 232 HG3 LYS 33 2HG LYS 33 4.688 11.227 -0.616 233 HD2 LYS 33 1HD LYS 33 2.046 12.647 -0.677 234 HD3 LYS 33 2HD LYS 33 2.615 11.840 0.786 235 HE2 LYS 33 1HE LYS 33 4.578 13.216 0.851 236 HE3 LYS 33 2HE LYS 33 4.202 13.911 -0.725 237 HZ1 LYS 33 3HZ LYS 33 3.629 15.364 1.173 238 HZ2 LYS 33 1HZ LYS 33 2.490 14.220 1.680 239 HZ3 LYS 33 2HZ LYS 33 2.301 14.998 0.191 240 H ILE 34 H ILE 34 4.658 9.106 -1.403 241 HA ILE 34 HA ILE 34 7.163 9.552 -0.494 242 HB ILE 34 HB ILE 34 7.224 7.375 0.411 243 HG12 ILE 34 1HG1 ILE 34 5.213 6.505 -1.675 244 HG13 ILE 34 2HG1 ILE 34 6.943 6.193 -1.771 245 HG21 ILE 34 1HG2 ILE 34 4.955 8.944 0.581 246 HG22 ILE 34 2HG2 ILE 34 4.326 7.322 0.300 247 HG23 ILE 34 3HG2 ILE 34 5.399 7.627 1.666 248 HD11 ILE 34 3HD1 ILE 34 5.797 4.237 -0.973 249 HD12 ILE 34 1HD1 ILE 34 6.793 4.904 0.320 250 HD13 ILE 34 2HD1 ILE 34 5.049 5.165 0.326 251 H HIS 35 H HIS 35 6.317 8.047 -3.507 252 HA HIS 35 HA HIS 35 8.988 7.047 -3.999 253 HB2 HIS 35 1HB HIS 35 6.540 7.180 -5.770 254 HB3 HIS 35 2HB HIS 35 8.062 6.420 -6.227 255 HD1 HIS 35 HD1 HIS 35 8.735 4.250 -4.858 256 HD2 HIS 35 HD2 HIS 35 4.866 5.630 -4.237 257 HE1 HIS 35 HE1 HIS 35 7.511 2.347 -3.759 258 H THR 36 H THR 36 6.962 9.741 -5.018 259 HA THR 36 HA THR 36 8.408 10.765 -7.121 260 HB THR 36 HB THR 36 7.080 12.388 -4.942 261 HG1 THR 36 HG1 THR 36 5.231 12.159 -6.139 262 HG21 THR 36 3HG2 THR 36 6.892 14.139 -6.591 263 HG22 THR 36 1HG2 THR 36 7.622 13.111 -7.823 264 HG23 THR 36 2HG2 THR 36 8.585 13.668 -6.455 265 H LYS 37 H LYS 37 10.084 12.265 -7.338 266 HA LYS 37 HA LYS 37 12.116 13.184 -6.889 267 HB2 LYS 37 1HB LYS 37 10.587 14.448 -5.254 268 HB3 LYS 37 2HB LYS 37 11.263 13.405 -4.010 269 HG2 LYS 37 1HG LYS 37 13.541 14.254 -5.062 270 HG3 LYS 37 2HG LYS 37 12.521 15.617 -5.528 271 HD2 LYS 37 1HD LYS 37 12.424 14.604 -2.720 272 HD3 LYS 37 2HD LYS 37 13.774 15.622 -3.228 273 HE2 LYS 37 1HE LYS 37 12.413 17.453 -3.616 274 HE3 LYS 37 2HE LYS 37 10.968 16.464 -3.821 275 HZ1 LYS 37 3HZ LYS 37 10.504 17.042 -1.736 276 HZ2 LYS 37 1HZ LYS 37 12.067 17.615 -1.436 277 HZ3 LYS 37 2HZ LYS 37 11.722 15.969 -1.260 278 H GLN 38 H GLN 38 12.156 10.470 -6.977 279 HA GLN 38 HA GLN 38 13.676 9.552 -4.654 280 HB2 GLN 38 1HB GLN 38 11.959 8.036 -5.374 281 HB3 GLN 38 2HB GLN 38 12.533 8.091 -7.035 282 HG2 GLN 38 1HG GLN 38 13.296 6.050 -6.226 283 HG3 GLN 38 2HG GLN 38 14.704 7.106 -6.140 284 HE21 GLN 38 1HE2 GLN 38 12.422 5.238 -4.379 285 HE22 GLN 38 2HE2 GLN 38 13.123 5.451 -2.815 286 H LYS 39 H LYS 39 13.982 9.501 -8.207 287 HA LYS 39 HA LYS 39 16.720 8.775 -8.192 288 HB2 LYS 39 1HB LYS 39 15.432 8.323 -10.155 289 HB3 LYS 39 2HB LYS 39 14.956 10.009 -10.307 290 HG2 LYS 39 1HG LYS 39 17.558 10.371 -10.508 291 HG3 LYS 39 2HG LYS 39 17.514 8.684 -11.026 292 HD2 LYS 39 1HD LYS 39 16.081 9.182 -12.842 293 HD3 LYS 39 2HD LYS 39 15.728 10.794 -12.216 294 HE2 LYS 39 1HE LYS 39 18.015 11.485 -12.636 295 HE3 LYS 39 2HE LYS 39 18.431 9.859 -13.175 296 HZ1 LYS 39 3HZ LYS 39 18.057 11.260 -15.068 297 HZ2 LYS 39 1HZ LYS 39 16.535 11.725 -14.494 298 HZ3 LYS 39 2HZ LYS 39 16.803 10.128 -14.982 299 HA PRO 40 HA PRO 40 18.668 12.618 -7.285 300 HB2 PRO 40 1HB PRO 40 21.087 12.149 -8.424 301 HB3 PRO 40 2HB PRO 40 20.575 11.390 -6.912 302 HG2 PRO 40 1HG PRO 40 20.558 10.276 -9.691 303 HG3 PRO 40 2HG PRO 40 21.048 9.496 -8.176 304 HD2 PRO 40 1HD PRO 40 18.634 9.062 -9.323 305 HD3 PRO 40 2HD PRO 40 18.874 9.033 -7.565 306 H SER 41 H SER 41 17.760 14.274 -8.406 307 HA SER 41 HA SER 41 18.512 14.586 -11.236 308 HB2 SER 41 1HB SER 41 16.537 16.033 -11.456 309 HB3 SER 41 2HB SER 41 16.086 14.440 -10.848 310 HG SER 41 HG SER 41 15.791 15.282 -8.842 311 H GLY 42 H GLY 42 18.455 17.034 -11.875 312 HA2 GLY 42 1HA GLY 42 20.442 18.321 -10.187 313 HA3 GLY 42 2HA GLY 42 19.946 18.833 -11.794 314 HA PRO 43 HA PRO 43 18.171 21.867 -8.815 315 HB2 PRO 43 1HB PRO 43 18.678 24.028 -10.379 316 HB3 PRO 43 2HB PRO 43 19.870 23.347 -9.265 317 HG2 PRO 43 1HG PRO 43 19.601 22.959 -12.221 318 HG3 PRO 43 2HG PRO 43 21.064 23.232 -11.257 319 HD2 PRO 43 1HD PRO 43 20.328 20.774 -12.124 320 HD3 PRO 43 2HD PRO 43 21.189 21.028 -10.593 321 H SER 44 H SER 44 16.280 23.157 -9.014 322 HA SER 44 HA SER 44 14.775 22.773 -11.516 323 HB2 SER 44 1HB SER 44 13.670 22.573 -8.703 324 HB3 SER 44 2HB SER 44 12.728 22.447 -10.188 325 HG SER 44 HG SER 44 13.197 20.407 -10.093 326 H SER 45 H SER 45 12.677 24.234 -11.353 327 HA SER 45 HA SER 45 13.356 26.840 -10.197 328 HB2 SER 45 1HB SER 45 12.665 26.341 -13.099 329 HB3 SER 45 2HB SER 45 12.644 27.937 -12.349 330 HG SER 45 HG SER 45 14.949 26.411 -12.028 331 H GLY 46 H GLY 46 11.481 28.370 -10.295 332 HA2 GLY 46 1HA GLY 46 9.149 27.060 -9.291 333 HA3 GLY 46 2HA GLY 46 9.343 28.789 -9.543 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -9.732 -17.472 -1.615 2 HA2 GLY 1 1HA GLY 1 -10.721 -18.521 -4.121 3 HA3 GLY 1 2HA GLY 1 -11.942 -17.710 -3.152 4 H SER 2 H SER 2 -10.689 -17.048 -5.784 5 HA SER 2 HA SER 2 -9.298 -14.554 -5.191 6 HB2 SER 2 1HB SER 2 -8.336 -15.902 -6.957 7 HB3 SER 2 2HB SER 2 -9.880 -15.962 -7.806 8 HG SER 2 HG SER 2 -8.885 -14.338 -8.805 9 H SER 3 H SER 3 -10.331 -12.685 -5.051 10 HA SER 3 HA SER 3 -13.046 -12.489 -6.158 11 HB2 SER 3 1HB SER 3 -12.780 -12.106 -3.712 12 HB3 SER 3 2HB SER 3 -11.729 -10.736 -4.070 13 HG SER 3 HG SER 3 -13.516 -9.805 -5.203 14 H GLY 4 H GLY 4 -13.381 -11.278 -7.898 15 HA2 GLY 4 1HA GLY 4 -11.986 -8.799 -8.323 16 HA3 GLY 4 2HA GLY 4 -11.483 -10.063 -9.436 17 H SER 5 H SER 5 -13.295 -11.174 -10.620 18 HA SER 5 HA SER 5 -14.646 -9.494 -12.268 19 HB2 SER 5 1HB SER 5 -14.465 -11.935 -12.619 20 HB3 SER 5 2HB SER 5 -15.662 -12.196 -11.351 21 HG SER 5 HG SER 5 -16.732 -12.217 -13.297 22 H SER 6 H SER 6 -15.859 -10.831 -9.219 23 HA SER 6 HA SER 6 -18.108 -8.933 -9.363 24 HB2 SER 6 1HB SER 6 -19.435 -10.430 -8.111 25 HB3 SER 6 2HB SER 6 -18.577 -11.461 -9.256 26 HG SER 6 HG SER 6 -18.395 -12.397 -7.253 27 H GLY 7 H GLY 7 -18.013 -7.261 -8.025 28 HA2 GLY 7 1HA GLY 7 -17.388 -7.435 -5.288 29 HA3 GLY 7 2HA GLY 7 -15.964 -6.872 -6.149 30 H THR 8 H THR 8 -18.722 -5.918 -4.571 31 HA THR 8 HA THR 8 -19.720 -3.761 -5.979 32 HB THR 8 HB THR 8 -20.098 -2.741 -3.623 33 HG1 THR 8 HG1 THR 8 -18.361 -4.417 -2.884 34 HG21 THR 8 3HG2 THR 8 -21.723 -4.090 -5.025 35 HG22 THR 8 1HG2 THR 8 -21.996 -4.121 -3.284 36 HG23 THR 8 2HG2 THR 8 -21.229 -5.495 -4.081 37 H GLY 9 H GLY 9 -16.623 -4.136 -4.564 38 HA2 GLY 9 1HA GLY 9 -15.175 -2.256 -5.651 39 HA3 GLY 9 2HA GLY 9 -16.126 -1.244 -4.573 40 H GLU 10 H GLU 10 -13.325 -3.061 -4.893 41 HA GLU 10 HA GLU 10 -12.651 -2.598 -2.108 42 HB2 GLU 10 1HB GLU 10 -13.051 -5.302 -3.281 43 HB3 GLU 10 2HB GLU 10 -11.678 -5.084 -2.206 44 HG2 GLU 10 1HG GLU 10 -13.030 -4.569 -0.382 45 HG3 GLU 10 2HG GLU 10 -14.426 -4.217 -1.399 46 H LYS 11 H LYS 11 -10.790 -1.549 -2.225 47 HA LYS 11 HA LYS 11 -8.757 -0.816 -2.959 48 HB2 LYS 11 1HB LYS 11 -8.391 -3.787 -3.388 49 HB3 LYS 11 2HB LYS 11 -7.089 -2.607 -3.346 50 HG2 LYS 11 1HG LYS 11 -7.018 -3.426 -1.210 51 HG3 LYS 11 2HG LYS 11 -8.076 -2.029 -1.000 52 HD2 LYS 11 1HD LYS 11 -9.205 -3.720 0.129 53 HD3 LYS 11 2HD LYS 11 -9.993 -3.702 -1.451 54 HE2 LYS 11 1HE LYS 11 -9.565 -5.981 -0.825 55 HE3 LYS 11 2HE LYS 11 -8.497 -5.550 -2.160 56 HZ1 LYS 11 3HZ LYS 11 -7.638 -6.760 0.020 57 HZ2 LYS 11 1HZ LYS 11 -7.455 -5.157 0.533 58 HZ3 LYS 11 2HZ LYS 11 -6.668 -5.693 -0.865 59 HA PRO 12 HA PRO 12 -10.072 -1.420 -7.468 60 HB2 PRO 12 1HB PRO 12 -11.132 1.051 -7.842 61 HB3 PRO 12 2HB PRO 12 -12.085 -0.328 -7.282 62 HG2 PRO 12 1HG PRO 12 -10.876 1.906 -5.698 63 HG3 PRO 12 2HG PRO 12 -12.482 1.169 -5.548 64 HD2 PRO 12 1HD PRO 12 -10.433 0.548 -3.891 65 HD3 PRO 12 2HD PRO 12 -11.683 -0.628 -4.346 66 H TYR 13 H TYR 13 -7.940 0.264 -5.609 67 HA TYR 13 HA TYR 13 -6.594 1.367 -7.981 68 HB2 TYR 13 1HB TYR 13 -6.511 2.691 -5.271 69 HB3 TYR 13 2HB TYR 13 -5.933 3.333 -6.805 70 HD1 TYR 13 HD2 TYR 13 -7.791 3.587 -8.663 71 HD2 TYR 13 HD1 TYR 13 -8.571 3.387 -4.485 72 HE1 TYR 13 HE2 TYR 13 -9.958 4.695 -9.021 73 HE2 TYR 13 HE1 TYR 13 -10.740 4.493 -4.831 74 HH TYR 13 HH TYR 13 -12.382 4.616 -7.222 75 H ILE 14 H ILE 14 -4.556 0.713 -8.222 76 HA ILE 14 HA ILE 14 -3.166 -0.423 -5.885 77 HB ILE 14 HB ILE 14 -3.026 -1.445 -8.724 78 HG12 ILE 14 1HG1 ILE 14 -5.130 -2.053 -7.643 79 HG13 ILE 14 2HG1 ILE 14 -4.097 -3.470 -7.802 80 HG21 ILE 14 1HG2 ILE 14 -1.544 -3.129 -7.928 81 HG22 ILE 14 2HG2 ILE 14 -0.912 -1.575 -7.385 82 HG23 ILE 14 3HG2 ILE 14 -1.771 -2.621 -6.254 83 HD11 ILE 14 3HD1 ILE 14 -5.232 -3.385 -5.642 84 HD12 ILE 14 1HD1 ILE 14 -3.479 -3.306 -5.466 85 HD13 ILE 14 2HD1 ILE 14 -4.450 -1.843 -5.296 86 H CYS 15 H CYS 15 -1.172 0.322 -5.502 87 HA CYS 15 HA CYS 15 -0.135 2.445 -7.146 88 HB2 CYS 15 1HB CYS 15 -0.018 2.477 -4.656 89 HB3 CYS 15 2HB CYS 15 1.114 1.129 -4.725 90 H ALA 16 H ALA 16 0.169 1.118 -9.080 91 HA ALA 16 HA ALA 16 1.626 -1.067 -9.551 92 HB1 ALA 16 3HB ALA 16 2.241 1.404 -11.139 93 HB2 ALA 16 1HB ALA 16 2.132 -0.268 -11.691 94 HB3 ALA 16 2HB ALA 16 0.671 0.607 -11.230 95 H GLU 17 H GLU 17 3.077 2.129 -8.957 96 HA GLU 17 HA GLU 17 5.697 1.781 -9.288 97 HB2 GLU 17 1HB GLU 17 4.273 3.030 -6.951 98 HB3 GLU 17 2HB GLU 17 6.026 3.059 -7.074 99 HG2 GLU 17 1HG GLU 17 4.388 4.013 -9.371 100 HG3 GLU 17 2HG GLU 17 4.593 5.049 -7.959 101 H CYS 18 H CYS 18 4.131 0.823 -6.226 102 HA CYS 18 HA CYS 18 6.336 -1.077 -5.795 103 HB2 CYS 18 1HB CYS 18 5.622 -1.030 -3.402 104 HB3 CYS 18 2HB CYS 18 6.170 0.531 -4.006 105 H GLY 19 H GLY 19 2.813 -0.740 -5.409 106 HA2 GLY 19 1HA GLY 19 1.515 -2.600 -6.460 107 HA3 GLY 19 2HA GLY 19 2.623 -3.681 -5.629 108 H LYS 20 H LYS 20 1.302 -0.751 -4.221 109 HA LYS 20 HA LYS 20 0.104 -2.360 -2.104 110 HB2 LYS 20 1HB LYS 20 1.590 -0.177 -1.876 111 HB3 LYS 20 2HB LYS 20 0.039 0.625 -2.085 112 HG2 LYS 20 1HG LYS 20 -0.856 -0.478 -0.151 113 HG3 LYS 20 2HG LYS 20 0.603 -1.458 0.014 114 HD2 LYS 20 1HD LYS 20 1.902 0.632 0.357 115 HD3 LYS 20 2HD LYS 20 0.385 1.535 0.329 116 HE2 LYS 20 1HE LYS 20 0.597 1.243 2.578 117 HE3 LYS 20 2HE LYS 20 -0.276 -0.237 2.182 118 HZ1 LYS 20 3HZ LYS 20 2.322 0.066 3.279 119 HZ2 LYS 20 1HZ LYS 20 2.393 -0.830 1.845 120 HZ3 LYS 20 2HZ LYS 20 1.391 -1.336 3.110 121 H ALA 21 H ALA 21 -2.042 -1.677 -1.249 122 HA ALA 21 HA ALA 21 -3.845 -0.927 -3.459 123 HB1 ALA 21 3HB ALA 21 -4.026 -3.070 -1.413 124 HB2 ALA 21 1HB ALA 21 -5.520 -2.278 -1.914 125 HB3 ALA 21 2HB ALA 21 -4.502 -3.080 -3.111 126 H PHE 22 H PHE 22 -5.376 0.606 -3.099 127 HA PHE 22 HA PHE 22 -5.666 1.663 -0.375 128 HB2 PHE 22 1HB PHE 22 -4.967 3.205 -2.864 129 HB3 PHE 22 2HB PHE 22 -5.743 3.983 -1.489 130 HD1 PHE 22 HD1 PHE 22 -4.572 4.138 0.670 131 HD2 PHE 22 HD2 PHE 22 -2.669 2.597 -2.812 132 HE1 PHE 22 HE1 PHE 22 -2.377 4.439 1.740 133 HE2 PHE 22 HE2 PHE 22 -0.472 2.895 -1.747 134 HZ PHE 22 HZ PHE 22 -0.324 3.816 0.532 135 H THR 23 H THR 23 -7.701 2.202 0.190 136 HA THR 23 HA THR 23 -9.839 1.461 -1.582 137 HB THR 23 HB THR 23 -11.285 2.297 0.368 138 HG1 THR 23 HG1 THR 23 -9.551 3.581 1.297 139 HG21 THR 23 3HG2 THR 23 -9.796 0.278 1.713 140 HG22 THR 23 1HG2 THR 23 -9.785 -0.085 -0.012 141 HG23 THR 23 2HG2 THR 23 -11.318 0.121 0.836 142 H ILE 24 H ILE 24 -8.568 4.468 -0.238 143 HA ILE 24 HA ILE 24 -10.568 6.006 -1.721 144 HB ILE 24 HB ILE 24 -8.497 6.945 0.268 145 HG12 ILE 24 1HG1 ILE 24 -11.484 6.835 0.657 146 HG13 ILE 24 2HG1 ILE 24 -10.443 5.480 1.080 147 HG21 ILE 24 1HG2 ILE 24 -10.665 8.762 -0.100 148 HG22 ILE 24 2HG2 ILE 24 -8.943 9.020 -0.374 149 HG23 ILE 24 3HG2 ILE 24 -9.956 8.387 -1.670 150 HD11 ILE 24 3HD1 ILE 24 -11.033 7.831 2.572 151 HD12 ILE 24 1HD1 ILE 24 -10.092 6.418 3.047 152 HD13 ILE 24 2HD1 ILE 24 -9.302 7.773 2.240 153 H ARG 25 H ARG 25 -10.104 6.717 -3.685 154 HA ARG 25 HA ARG 25 -7.779 6.386 -5.077 155 HB2 ARG 25 1HB ARG 25 -9.826 7.031 -6.186 156 HB3 ARG 25 2HB ARG 25 -9.826 8.588 -5.368 157 HG2 ARG 25 1HG ARG 25 -7.835 9.256 -6.576 158 HG3 ARG 25 2HG ARG 25 -7.756 7.673 -7.353 159 HD2 ARG 25 1HD ARG 25 -8.738 9.302 -8.858 160 HD3 ARG 25 2HD ARG 25 -9.936 8.091 -8.399 161 HE ARG 25 HE ARG 25 -10.026 10.395 -6.716 162 HH11 ARG 25 1HH1 ARG 25 -11.021 9.126 -9.801 163 HH12 ARG 25 2HH1 ARG 25 -12.393 10.175 -9.937 164 HH21 ARG 25 1HH2 ARG 25 -11.829 11.782 -6.883 165 HH22 ARG 25 2HH2 ARG 25 -12.851 11.687 -8.277 166 H SER 26 H SER 26 -8.609 9.000 -2.891 167 HA SER 26 HA SER 26 -6.369 10.643 -3.572 168 HB2 SER 26 1HB SER 26 -8.488 10.678 -1.469 169 HB3 SER 26 2HB SER 26 -7.031 11.633 -1.196 170 HG SER 26 HG SER 26 -8.704 12.795 -2.293 171 H ASN 27 H ASN 27 -7.107 8.438 -0.887 172 HA ASN 27 HA ASN 27 -4.913 8.764 0.706 173 HB2 ASN 27 1HB ASN 27 -6.592 6.385 0.027 174 HB3 ASN 27 2HB ASN 27 -5.145 6.148 1.001 175 HD21 ASN 27 1HD2 ASN 27 -6.679 5.446 2.626 176 HD22 ASN 27 2HD2 ASN 27 -7.449 6.627 3.625 177 H LEU 28 H LEU 28 -5.069 7.218 -2.418 178 HA LEU 28 HA LEU 28 -2.453 6.034 -2.234 179 HB2 LEU 28 1HB LEU 28 -3.980 4.905 -3.624 180 HB3 LEU 28 2HB LEU 28 -4.438 6.389 -4.458 181 HG LEU 28 HG LEU 28 -2.110 6.428 -5.427 182 HD11 LEU 28 1HD1 LEU 28 -0.729 4.540 -5.322 183 HD12 LEU 28 2HD1 LEU 28 -2.000 3.539 -4.620 184 HD13 LEU 28 3HD1 LEU 28 -1.247 4.811 -3.657 185 HD21 LEU 28 3HD2 LEU 28 -2.630 4.779 -7.143 186 HD22 LEU 28 1HD2 LEU 28 -4.068 5.699 -6.700 187 HD23 LEU 28 2HD2 LEU 28 -3.851 4.056 -6.095 188 H ILE 29 H ILE 29 -3.820 9.026 -3.386 189 HA ILE 29 HA ILE 29 -1.706 9.892 -5.021 190 HB ILE 29 HB ILE 29 -3.619 11.557 -3.379 191 HG12 ILE 29 1HG1 ILE 29 -4.650 9.982 -5.039 192 HG13 ILE 29 2HG1 ILE 29 -4.975 11.682 -5.361 193 HG21 ILE 29 1HG2 ILE 29 -2.934 13.438 -4.515 194 HG22 ILE 29 2HG2 ILE 29 -1.409 12.575 -4.324 195 HG23 ILE 29 3HG2 ILE 29 -2.269 12.515 -5.862 196 HD11 ILE 29 3HD1 ILE 29 -3.541 11.727 -7.193 197 HD12 ILE 29 1HD1 ILE 29 -2.720 10.245 -6.706 198 HD13 ILE 29 2HD1 ILE 29 -4.369 10.176 -7.328 199 H LYS 30 H LYS 30 -2.333 10.388 -1.563 200 HA LYS 30 HA LYS 30 -0.059 12.001 -1.082 201 HB2 LYS 30 1HB LYS 30 -0.481 11.558 1.286 202 HB3 LYS 30 2HB LYS 30 -1.977 11.941 0.444 203 HG2 LYS 30 1HG LYS 30 -2.778 9.786 0.603 204 HG3 LYS 30 2HG LYS 30 -1.168 9.091 0.805 205 HD2 LYS 30 1HD LYS 30 -1.984 8.936 2.950 206 HD3 LYS 30 2HD LYS 30 -1.170 10.501 3.014 207 HE2 LYS 30 1HE LYS 30 -3.190 11.041 3.953 208 HE3 LYS 30 2HE LYS 30 -3.520 11.395 2.258 209 HZ1 LYS 30 3HZ LYS 30 -4.833 9.580 3.942 210 HZ2 LYS 30 1HZ LYS 30 -4.094 8.699 2.701 211 HZ3 LYS 30 2HZ LYS 30 -5.173 9.947 2.326 212 H HIS 31 H HIS 31 -0.545 8.564 -1.280 213 HA HIS 31 HA HIS 31 1.749 7.704 0.105 214 HB2 HIS 31 1HB HIS 31 0.027 6.114 -0.407 215 HB3 HIS 31 2HB HIS 31 0.171 6.429 -2.133 216 HD1 HIS 31 HD1 HIS 31 2.019 4.770 0.705 217 HD2 HIS 31 HD2 HIS 31 2.074 4.936 -3.446 218 HE1 HIS 31 HE1 HIS 31 3.627 2.977 -0.018 219 H GLN 32 H GLN 32 1.216 8.372 -3.344 220 HA GLN 32 HA GLN 32 3.588 7.632 -4.444 221 HB2 GLN 32 1HB GLN 32 1.887 10.055 -4.994 222 HB3 GLN 32 2HB GLN 32 3.306 9.676 -5.962 223 HG2 GLN 32 1HG GLN 32 2.347 7.799 -6.883 224 HG3 GLN 32 2HG GLN 32 1.206 7.601 -5.553 225 HE21 GLN 32 1HE2 GLN 32 0.307 7.416 -8.094 226 HE22 GLN 32 2HE2 GLN 32 -0.655 8.794 -8.495 227 H LYS 33 H LYS 33 3.083 10.134 -2.139 228 HA LYS 33 HA LYS 33 5.176 11.872 -2.569 229 HB2 LYS 33 1HB LYS 33 3.985 10.836 -0.000 230 HB3 LYS 33 2HB LYS 33 5.216 12.092 -0.027 231 HG2 LYS 33 1HG LYS 33 2.605 12.310 -1.501 232 HG3 LYS 33 2HG LYS 33 2.850 12.897 0.145 233 HD2 LYS 33 1HD LYS 33 4.904 14.125 -0.937 234 HD3 LYS 33 2HD LYS 33 3.979 13.909 -2.425 235 HE2 LYS 33 1HE LYS 33 2.291 15.302 -1.737 236 HE3 LYS 33 2HE LYS 33 2.590 14.997 -0.027 237 HZ1 LYS 33 3HZ LYS 33 3.350 17.213 -1.371 238 HZ2 LYS 33 1HZ LYS 33 4.776 16.301 -1.367 239 HZ3 LYS 33 2HZ LYS 33 4.017 16.690 0.093 240 H ILE 34 H ILE 34 5.257 8.830 -0.723 241 HA ILE 34 HA ILE 34 7.981 8.935 -0.048 242 HB ILE 34 HB ILE 34 7.822 6.584 0.472 243 HG12 ILE 34 1HG1 ILE 34 5.038 6.392 -0.587 244 HG13 ILE 34 2HG1 ILE 34 6.371 6.247 -1.726 245 HG21 ILE 34 1HG2 ILE 34 5.863 6.608 1.964 246 HG22 ILE 34 2HG2 ILE 34 6.787 8.107 2.042 247 HG23 ILE 34 3HG2 ILE 34 5.274 8.050 1.139 248 HD11 ILE 34 3HD1 ILE 34 6.528 4.113 -1.186 249 HD12 ILE 34 1HD1 ILE 34 7.009 4.589 0.442 250 HD13 ILE 34 2HD1 ILE 34 5.308 4.303 0.072 251 H HIS 35 H HIS 35 6.391 8.161 -3.000 252 HA HIS 35 HA HIS 35 8.651 6.726 -4.111 253 HB2 HIS 35 1HB HIS 35 5.977 7.570 -5.215 254 HB3 HIS 35 2HB HIS 35 7.225 6.860 -6.234 255 HD1 HIS 35 HD1 HIS 35 7.843 4.352 -5.763 256 HD2 HIS 35 HD2 HIS 35 4.586 5.789 -3.620 257 HE1 HIS 35 HE1 HIS 35 6.687 2.314 -4.850 258 H THR 36 H THR 36 7.281 9.939 -4.180 259 HA THR 36 HA THR 36 9.154 10.799 -6.248 260 HB THR 36 HB THR 36 7.990 13.016 -6.011 261 HG1 THR 36 HG1 THR 36 6.042 11.600 -4.514 262 HG21 THR 36 3HG2 THR 36 6.798 12.244 -7.726 263 HG22 THR 36 1HG2 THR 36 5.660 11.509 -6.598 264 HG23 THR 36 2HG2 THR 36 7.050 10.589 -7.174 265 H LYS 37 H LYS 37 10.551 12.622 -5.926 266 HA LYS 37 HA LYS 37 11.391 12.939 -3.118 267 HB2 LYS 37 1HB LYS 37 13.662 13.387 -4.010 268 HB3 LYS 37 2HB LYS 37 13.084 11.769 -4.385 269 HG2 LYS 37 1HG LYS 37 12.326 12.838 -6.625 270 HG3 LYS 37 2HG LYS 37 13.479 14.105 -6.201 271 HD2 LYS 37 1HD LYS 37 15.293 12.614 -6.232 272 HD3 LYS 37 2HD LYS 37 14.240 11.199 -6.170 273 HE2 LYS 37 1HE LYS 37 15.066 11.361 -8.393 274 HE3 LYS 37 2HE LYS 37 13.377 11.864 -8.430 275 HZ1 LYS 37 3HZ LYS 37 15.298 13.994 -8.014 276 HZ2 LYS 37 1HZ LYS 37 13.922 13.951 -8.998 277 HZ3 LYS 37 2HZ LYS 37 15.366 13.253 -9.533 278 H GLN 38 H GLN 38 12.805 15.037 -2.919 279 HA GLN 38 HA GLN 38 11.107 17.218 -3.857 280 HB2 GLN 38 1HB GLN 38 13.194 16.993 -1.700 281 HB3 GLN 38 2HB GLN 38 12.572 18.553 -2.220 282 HG2 GLN 38 1HG GLN 38 10.458 18.139 -1.386 283 HG3 GLN 38 2HG GLN 38 10.688 16.391 -1.392 284 HE21 GLN 38 1HE2 GLN 38 10.897 15.539 0.537 285 HE22 GLN 38 2HE2 GLN 38 11.569 16.307 1.931 286 H LYS 39 H LYS 39 14.548 16.337 -3.758 287 HA LYS 39 HA LYS 39 15.323 18.555 -5.410 288 HB2 LYS 39 1HB LYS 39 17.538 17.739 -5.213 289 HB3 LYS 39 2HB LYS 39 16.775 17.432 -3.658 290 HG2 LYS 39 1HG LYS 39 16.441 15.103 -4.258 291 HG3 LYS 39 2HG LYS 39 17.145 15.398 -5.849 292 HD2 LYS 39 1HD LYS 39 18.721 16.103 -3.418 293 HD3 LYS 39 2HD LYS 39 18.594 14.407 -3.892 294 HE2 LYS 39 1HE LYS 39 20.461 14.998 -5.066 295 HE3 LYS 39 2HE LYS 39 19.224 15.386 -6.260 296 HZ1 LYS 39 3HZ LYS 39 19.943 17.464 -6.264 297 HZ2 LYS 39 1HZ LYS 39 21.113 17.098 -5.098 298 HZ3 LYS 39 2HZ LYS 39 19.577 17.621 -4.620 299 HA PRO 40 HA PRO 40 14.599 16.756 -9.362 300 HB2 PRO 40 1HB PRO 40 16.385 18.187 -10.823 301 HB3 PRO 40 2HB PRO 40 14.876 18.874 -10.210 302 HG2 PRO 40 1HG PRO 40 17.647 19.097 -9.102 303 HG3 PRO 40 2HG PRO 40 16.406 20.352 -9.271 304 HD2 PRO 40 1HD PRO 40 16.905 19.105 -6.920 305 HD3 PRO 40 2HD PRO 40 15.287 19.679 -7.372 306 H SER 41 H SER 41 15.919 15.874 -11.276 307 HA SER 41 HA SER 41 17.999 14.130 -10.172 308 HB2 SER 41 1HB SER 41 16.133 12.990 -11.254 309 HB3 SER 41 2HB SER 41 16.394 13.916 -12.732 310 HG SER 41 HG SER 41 18.676 12.895 -12.383 311 H GLY 42 H GLY 42 17.364 16.264 -12.936 312 HA2 GLY 42 1HA GLY 42 20.177 16.091 -13.728 313 HA3 GLY 42 2HA GLY 42 18.884 16.838 -14.654 314 HA PRO 43 HA PRO 43 21.372 20.258 -12.825 315 HB2 PRO 43 1HB PRO 43 21.262 21.818 -15.045 316 HB3 PRO 43 2HB PRO 43 22.479 20.557 -14.816 317 HG2 PRO 43 1HG PRO 43 19.936 20.471 -16.394 318 HG3 PRO 43 2HG PRO 43 21.542 19.856 -16.826 319 HD2 PRO 43 1HD PRO 43 19.566 18.249 -15.907 320 HD3 PRO 43 2HD PRO 43 21.282 17.937 -15.577 321 H SER 44 H SER 44 18.214 19.818 -13.956 322 HA SER 44 HA SER 44 17.176 22.421 -13.901 323 HB2 SER 44 1HB SER 44 16.111 20.099 -14.601 324 HB3 SER 44 2HB SER 44 15.502 20.137 -12.946 325 HG SER 44 HG SER 44 14.345 21.924 -13.396 326 H SER 45 H SER 45 15.498 23.130 -12.232 327 HA SER 45 HA SER 45 16.764 22.968 -9.596 328 HB2 SER 45 1HB SER 45 16.507 25.222 -10.294 329 HB3 SER 45 2HB SER 45 14.854 24.945 -10.840 330 HG SER 45 HG SER 45 15.843 25.177 -8.214 331 H GLY 46 H GLY 46 13.519 22.856 -11.062 332 HA2 GLY 46 1HA GLY 46 11.796 21.373 -10.511 333 HA3 GLY 46 2HA GLY 46 12.727 20.845 -9.117 Start of MODEL 5 1 H1 GLY 1 H GLY 1 7.026 -13.329 -6.572 2 HA2 GLY 1 1HA GLY 1 5.479 -12.190 -8.602 3 HA3 GLY 1 2HA GLY 1 6.869 -12.948 -9.364 4 H SER 2 H SER 2 3.987 -13.502 -7.447 5 HA SER 2 HA SER 2 4.039 -16.311 -8.320 6 HB2 SER 2 1HB SER 2 3.333 -15.258 -5.575 7 HB3 SER 2 2HB SER 2 2.938 -16.888 -6.120 8 HG SER 2 HG SER 2 4.870 -17.345 -5.437 9 H SER 3 H SER 3 1.776 -17.320 -7.947 10 HA SER 3 HA SER 3 -0.230 -15.380 -8.894 11 HB2 SER 3 1HB SER 3 -1.320 -17.364 -9.989 12 HB3 SER 3 2HB SER 3 0.269 -16.961 -10.639 13 HG SER 3 HG SER 3 -0.084 -18.889 -8.601 14 H GLY 4 H GLY 4 -2.525 -16.065 -8.429 15 HA2 GLY 4 1HA GLY 4 -3.724 -17.694 -6.833 16 HA3 GLY 4 2HA GLY 4 -2.662 -16.975 -5.632 17 H SER 5 H SER 5 -5.408 -16.912 -5.344 18 HA SER 5 HA SER 5 -6.317 -14.283 -6.198 19 HB2 SER 5 1HB SER 5 -7.770 -16.404 -6.162 20 HB3 SER 5 2HB SER 5 -7.833 -16.182 -4.414 21 HG SER 5 HG SER 5 -9.508 -15.153 -5.921 22 H SER 6 H SER 6 -6.040 -12.523 -5.015 23 HA SER 6 HA SER 6 -5.125 -12.759 -2.267 24 HB2 SER 6 1HB SER 6 -5.190 -10.576 -4.307 25 HB3 SER 6 2HB SER 6 -5.103 -10.131 -2.603 26 HG SER 6 HG SER 6 -3.182 -11.182 -2.422 27 H GLY 7 H GLY 7 -7.711 -13.626 -2.459 28 HA2 GLY 7 1HA GLY 7 -9.645 -13.387 -1.214 29 HA3 GLY 7 2HA GLY 7 -9.031 -11.848 -0.629 30 H THR 8 H THR 8 -11.459 -13.225 -2.333 31 HA THR 8 HA THR 8 -11.881 -11.726 -4.600 32 HB THR 8 HB THR 8 -13.347 -13.583 -3.904 33 HG1 THR 8 HG1 THR 8 -14.323 -11.081 -4.679 34 HG21 THR 8 3HG2 THR 8 -14.989 -13.361 -2.209 35 HG22 THR 8 1HG2 THR 8 -14.677 -11.635 -2.030 36 HG23 THR 8 2HG2 THR 8 -13.475 -12.809 -1.493 37 H GLY 9 H GLY 9 -12.679 -9.724 -5.082 38 HA2 GLY 9 1HA GLY 9 -13.689 -7.646 -4.654 39 HA3 GLY 9 2HA GLY 9 -13.645 -8.004 -2.934 40 H GLU 10 H GLU 10 -11.349 -7.510 -5.621 41 HA GLU 10 HA GLU 10 -9.330 -6.488 -3.861 42 HB2 GLU 10 1HB GLU 10 -7.975 -6.249 -5.791 43 HB3 GLU 10 2HB GLU 10 -8.914 -7.715 -6.035 44 HG2 GLU 10 1HG GLU 10 -9.872 -5.109 -7.136 45 HG3 GLU 10 2HG GLU 10 -8.636 -6.040 -7.980 46 H LYS 11 H LYS 11 -8.403 -4.347 -3.998 47 HA LYS 11 HA LYS 11 -10.400 -2.310 -3.926 48 HB2 LYS 11 1HB LYS 11 -7.461 -2.447 -3.457 49 HB3 LYS 11 2HB LYS 11 -8.168 -0.868 -3.772 50 HG2 LYS 11 1HG LYS 11 -8.087 -1.165 -1.419 51 HG3 LYS 11 2HG LYS 11 -9.777 -1.305 -1.912 52 HD2 LYS 11 1HD LYS 11 -9.539 -3.088 -0.455 53 HD3 LYS 11 2HD LYS 11 -9.262 -3.850 -2.023 54 HE2 LYS 11 1HE LYS 11 -6.988 -4.054 -1.667 55 HE3 LYS 11 2HE LYS 11 -6.952 -2.752 -0.479 56 HZ1 LYS 11 3HZ LYS 11 -6.741 -5.173 0.317 57 HZ2 LYS 11 1HZ LYS 11 -8.417 -5.244 0.093 58 HZ3 LYS 11 2HZ LYS 11 -7.755 -4.125 1.175 59 HA PRO 12 HA PRO 12 -10.296 -0.946 -8.111 60 HB2 PRO 12 1HB PRO 12 -11.170 1.600 -7.756 61 HB3 PRO 12 2HB PRO 12 -12.233 0.193 -7.630 62 HG2 PRO 12 1HG PRO 12 -10.918 1.774 -5.455 63 HG3 PRO 12 2HG PRO 12 -12.575 1.148 -5.537 64 HD2 PRO 12 1HD PRO 12 -10.623 -0.079 -4.118 65 HD3 PRO 12 2HD PRO 12 -11.938 -0.975 -4.905 66 H TYR 13 H TYR 13 -8.239 0.206 -5.707 67 HA TYR 13 HA TYR 13 -6.632 1.638 -7.713 68 HB2 TYR 13 1HB TYR 13 -6.742 2.479 -4.821 69 HB3 TYR 13 2HB TYR 13 -6.069 3.361 -6.188 70 HD1 TYR 13 HD2 TYR 13 -7.784 4.019 -8.057 71 HD2 TYR 13 HD1 TYR 13 -8.865 3.018 -4.065 72 HE1 TYR 13 HE2 TYR 13 -9.914 5.214 -8.340 73 HE2 TYR 13 HE1 TYR 13 -10.999 4.210 -4.338 74 HH TYR 13 HH TYR 13 -11.912 6.047 -5.771 75 H ILE 14 H ILE 14 -4.551 1.046 -7.816 76 HA ILE 14 HA ILE 14 -3.318 -0.330 -5.553 77 HB ILE 14 HB ILE 14 -3.468 -1.506 -8.329 78 HG12 ILE 14 1HG1 ILE 14 -4.306 -3.485 -6.810 79 HG13 ILE 14 2HG1 ILE 14 -4.679 -2.190 -5.678 80 HG21 ILE 14 1HG2 ILE 14 -2.221 -3.199 -6.371 81 HG22 ILE 14 2HG2 ILE 14 -1.611 -2.658 -7.934 82 HG23 ILE 14 3HG2 ILE 14 -1.358 -1.666 -6.498 83 HD11 ILE 14 3HD1 ILE 14 -6.463 -1.539 -6.842 84 HD12 ILE 14 1HD1 ILE 14 -5.628 -1.687 -8.389 85 HD13 ILE 14 2HD1 ILE 14 -6.338 -3.112 -7.629 86 H CYS 15 H CYS 15 -1.611 0.923 -5.168 87 HA CYS 15 HA CYS 15 -0.347 2.626 -6.968 88 HB2 CYS 15 1HB CYS 15 -0.137 2.733 -4.487 89 HB3 CYS 15 2HB CYS 15 0.909 1.318 -4.547 90 H ALA 16 H ALA 16 0.656 2.089 -8.785 91 HA ALA 16 HA ALA 16 1.767 -0.507 -9.236 92 HB1 ALA 16 3HB ALA 16 1.343 0.118 -11.322 93 HB2 ALA 16 1HB ALA 16 1.082 1.787 -10.812 94 HB3 ALA 16 2HB ALA 16 2.705 1.234 -11.227 95 H GLU 17 H GLU 17 3.080 2.692 -8.533 96 HA GLU 17 HA GLU 17 5.714 2.492 -9.056 97 HB2 GLU 17 1HB GLU 17 4.340 3.601 -6.620 98 HB3 GLU 17 2HB GLU 17 6.082 3.721 -6.824 99 HG2 GLU 17 1HG GLU 17 4.226 4.686 -8.959 100 HG3 GLU 17 2HG GLU 17 4.598 5.689 -7.558 101 H CYS 18 H CYS 18 4.206 1.209 -6.094 102 HA CYS 18 HA CYS 18 6.571 -0.511 -5.739 103 HB2 CYS 18 1HB CYS 18 5.924 -0.630 -3.353 104 HB3 CYS 18 2HB CYS 18 6.257 1.018 -3.875 105 H GLY 19 H GLY 19 3.031 -0.429 -5.466 106 HA2 GLY 19 1HA GLY 19 1.829 -2.291 -6.541 107 HA3 GLY 19 2HA GLY 19 3.048 -3.358 -5.860 108 H LYS 20 H LYS 20 1.167 -0.705 -4.419 109 HA LYS 20 HA LYS 20 0.203 -2.628 -2.404 110 HB2 LYS 20 1HB LYS 20 1.779 -0.603 -1.798 111 HB3 LYS 20 2HB LYS 20 0.281 0.315 -1.877 112 HG2 LYS 20 1HG LYS 20 -0.710 -1.146 -0.191 113 HG3 LYS 20 2HG LYS 20 0.789 -2.074 -0.114 114 HD2 LYS 20 1HD LYS 20 1.136 -0.659 1.643 115 HD3 LYS 20 2HD LYS 20 1.818 0.324 0.345 116 HE2 LYS 20 1HE LYS 20 -0.458 1.385 0.117 117 HE3 LYS 20 2HE LYS 20 -0.906 0.556 1.607 118 HZ1 LYS 20 3HZ LYS 20 0.936 2.795 1.207 119 HZ2 LYS 20 1HZ LYS 20 1.284 1.699 2.449 120 HZ3 LYS 20 2HZ LYS 20 -0.189 2.530 2.442 121 H ALA 21 H ALA 21 -1.933 -2.291 -1.557 122 HA ALA 21 HA ALA 21 -3.746 -1.208 -3.584 123 HB1 ALA 21 3HB ALA 21 -5.123 -2.520 -1.448 124 HB2 ALA 21 1HB ALA 21 -5.005 -2.981 -3.147 125 HB3 ALA 21 2HB ALA 21 -3.786 -3.531 -1.997 126 H PHE 22 H PHE 22 -5.448 0.201 -3.057 127 HA PHE 22 HA PHE 22 -5.378 1.443 -0.407 128 HB2 PHE 22 1HB PHE 22 -5.293 3.021 -2.987 129 HB3 PHE 22 2HB PHE 22 -5.369 3.692 -1.361 130 HD1 PHE 22 HD2 PHE 22 -3.264 1.311 -3.321 131 HD2 PHE 22 HD1 PHE 22 -3.410 4.455 -0.455 132 HE1 PHE 22 HE2 PHE 22 -0.806 1.329 -3.219 133 HE2 PHE 22 HE1 PHE 22 -0.952 4.478 -0.349 134 HZ PHE 22 HZ PHE 22 0.353 2.913 -1.731 135 H THR 23 H THR 23 -7.284 2.736 0.065 136 HA THR 23 HA THR 23 -9.643 1.665 -1.310 137 HB THR 23 HB THR 23 -10.907 2.454 0.682 138 HG1 THR 23 HG1 THR 23 -8.470 2.818 2.039 139 HG21 THR 23 3HG2 THR 23 -8.561 0.677 1.361 140 HG22 THR 23 1HG2 THR 23 -10.029 0.147 0.540 141 HG23 THR 23 2HG2 THR 23 -10.110 0.736 2.201 142 H ILE 24 H ILE 24 -8.488 4.738 0.082 143 HA ILE 24 HA ILE 24 -10.465 6.223 -1.435 144 HB ILE 24 HB ILE 24 -8.256 7.374 0.261 145 HG12 ILE 24 1HG1 ILE 24 -11.058 6.802 1.214 146 HG13 ILE 24 2HG1 ILE 24 -9.747 5.648 1.434 147 HG21 ILE 24 1HG2 ILE 24 -10.698 8.413 -1.055 148 HG22 ILE 24 2HG2 ILE 24 -10.292 9.068 0.531 149 HG23 ILE 24 3HG2 ILE 24 -9.134 9.184 -0.794 150 HD11 ILE 24 3HD1 ILE 24 -10.398 7.419 3.281 151 HD12 ILE 24 1HD1 ILE 24 -8.732 6.900 3.027 152 HD13 ILE 24 2HD1 ILE 24 -9.295 8.427 2.346 153 H ARG 25 H ARG 25 -10.125 6.982 -3.409 154 HA ARG 25 HA ARG 25 -7.953 6.570 -4.992 155 HB2 ARG 25 1HB ARG 25 -10.070 7.390 -5.869 156 HB3 ARG 25 2HB ARG 25 -9.830 8.938 -5.071 157 HG2 ARG 25 1HG ARG 25 -8.173 9.592 -6.554 158 HG3 ARG 25 2HG ARG 25 -7.844 7.936 -7.067 159 HD2 ARG 25 1HD ARG 25 -9.011 8.790 -8.872 160 HD3 ARG 25 2HD ARG 25 -10.281 7.991 -7.946 161 HE ARG 25 HE ARG 25 -11.209 10.047 -7.482 162 HH11 ARG 25 1HH1 ARG 25 -8.065 10.460 -8.919 163 HH12 ARG 25 2HH1 ARG 25 -8.255 12.165 -9.160 164 HH21 ARG 25 1HH2 ARG 25 -11.471 12.291 -7.794 165 HH22 ARG 25 2HH2 ARG 25 -10.193 13.206 -8.519 166 H SER 26 H SER 26 -8.448 9.222 -2.736 167 HA SER 26 HA SER 26 -6.160 10.716 -3.555 168 HB2 SER 26 1HB SER 26 -8.243 11.517 -2.228 169 HB3 SER 26 2HB SER 26 -7.385 10.905 -0.814 170 HG SER 26 HG SER 26 -6.375 12.738 -0.850 171 H ASN 27 H ASN 27 -6.806 8.760 -0.641 172 HA ASN 27 HA ASN 27 -4.465 8.840 0.672 173 HB2 ASN 27 1HB ASN 27 -6.338 6.561 0.154 174 HB3 ASN 27 2HB ASN 27 -4.844 6.262 1.036 175 HD21 ASN 27 1HD2 ASN 27 -5.987 5.747 2.905 176 HD22 ASN 27 2HD2 ASN 27 -6.746 6.959 3.875 177 H LEU 28 H LEU 28 -5.030 7.177 -2.364 178 HA LEU 28 HA LEU 28 -2.508 5.834 -2.418 179 HB2 LEU 28 1HB LEU 28 -4.220 4.857 -3.695 180 HB3 LEU 28 2HB LEU 28 -4.627 6.387 -4.470 181 HG LEU 28 HG LEU 28 -2.468 6.281 -5.694 182 HD11 LEU 28 1HD1 LEU 28 -1.676 3.715 -5.696 183 HD12 LEU 28 2HD1 LEU 28 -2.175 3.877 -4.013 184 HD13 LEU 28 3HD1 LEU 28 -0.951 4.958 -4.677 185 HD21 LEU 28 3HD2 LEU 28 -4.690 5.398 -6.553 186 HD22 LEU 28 1HD2 LEU 28 -4.082 3.789 -6.161 187 HD23 LEU 28 2HD2 LEU 28 -3.236 4.787 -7.343 188 H ILE 29 H ILE 29 -3.797 8.738 -4.013 189 HA ILE 29 HA ILE 29 -1.530 9.410 -5.492 190 HB ILE 29 HB ILE 29 -3.540 11.294 -4.252 191 HG12 ILE 29 1HG1 ILE 29 -3.507 10.228 -7.074 192 HG13 ILE 29 2HG1 ILE 29 -4.398 9.435 -5.779 193 HG21 ILE 29 1HG2 ILE 29 -1.179 12.007 -5.344 194 HG22 ILE 29 2HG2 ILE 29 -2.200 11.982 -6.780 195 HG23 ILE 29 3HG2 ILE 29 -2.633 13.002 -5.408 196 HD11 ILE 29 3HD1 ILE 29 -5.158 12.109 -5.648 197 HD12 ILE 29 1HD1 ILE 29 -5.115 11.718 -7.367 198 HD13 ILE 29 2HD1 ILE 29 -6.102 10.755 -6.268 199 H LYS 30 H LYS 30 -2.492 10.497 -2.241 200 HA LYS 30 HA LYS 30 -0.198 12.079 -1.783 201 HB2 LYS 30 1HB LYS 30 -0.879 12.024 0.582 202 HB3 LYS 30 2HB LYS 30 -2.236 12.375 -0.482 203 HG2 LYS 30 1HG LYS 30 -3.124 10.198 -0.221 204 HG3 LYS 30 2HG LYS 30 -1.652 9.619 0.563 205 HD2 LYS 30 1HD LYS 30 -3.119 9.942 2.343 206 HD3 LYS 30 2HD LYS 30 -2.153 11.419 2.340 207 HE2 LYS 30 1HE LYS 30 -4.666 11.368 0.750 208 HE3 LYS 30 2HE LYS 30 -4.791 11.481 2.505 209 HZ1 LYS 30 3HZ LYS 30 -3.089 13.370 2.229 210 HZ2 LYS 30 1HZ LYS 30 -4.707 13.675 1.843 211 HZ3 LYS 30 2HZ LYS 30 -3.584 13.388 0.612 212 H HIS 31 H HIS 31 -0.829 8.676 -1.466 213 HA HIS 31 HA HIS 31 1.292 8.017 0.281 214 HB2 HIS 31 1HB HIS 31 -0.248 6.303 0.099 215 HB3 HIS 31 2HB HIS 31 -0.418 6.499 -1.643 216 HD1 HIS 31 HD1 HIS 31 1.477 4.647 0.930 217 HD2 HIS 31 HD2 HIS 31 1.641 5.248 -3.178 218 HE1 HIS 31 HE1 HIS 31 3.030 2.874 0.052 219 H GLN 32 H GLN 32 1.050 7.962 -3.267 220 HA GLN 32 HA GLN 32 3.461 6.946 -3.989 221 HB2 GLN 32 1HB GLN 32 1.779 9.125 -5.153 222 HB3 GLN 32 2HB GLN 32 3.363 8.810 -5.849 223 HG2 GLN 32 1HG GLN 32 2.593 6.367 -5.987 224 HG3 GLN 32 2HG GLN 32 0.973 7.014 -5.732 225 HE21 GLN 32 1HE2 GLN 32 0.831 5.896 -7.908 226 HE22 GLN 32 2HE2 GLN 32 1.128 6.880 -9.297 227 H LYS 33 H LYS 33 2.900 9.891 -2.302 228 HA LYS 33 HA LYS 33 5.107 11.429 -2.909 229 HB2 LYS 33 1HB LYS 33 3.652 11.018 -0.301 230 HB3 LYS 33 2HB LYS 33 4.950 12.191 -0.476 231 HG2 LYS 33 1HG LYS 33 3.669 13.301 -2.264 232 HG3 LYS 33 2HG LYS 33 2.352 12.157 -1.997 233 HD2 LYS 33 1HD LYS 33 1.679 13.965 -0.726 234 HD3 LYS 33 2HD LYS 33 2.510 12.970 0.472 235 HE2 LYS 33 1HE LYS 33 4.506 14.320 0.256 236 HE3 LYS 33 2HE LYS 33 3.763 15.263 -1.035 237 HZ1 LYS 33 3HZ LYS 33 3.384 16.611 0.747 238 HZ2 LYS 33 1HZ LYS 33 3.253 15.334 1.850 239 HZ3 LYS 33 2HZ LYS 33 1.970 15.683 0.804 240 H ILE 34 H ILE 34 4.883 8.676 -0.703 241 HA ILE 34 HA ILE 34 7.397 8.828 0.473 242 HB ILE 34 HB ILE 34 7.202 6.482 0.978 243 HG12 ILE 34 1HG1 ILE 34 4.748 6.186 -0.701 244 HG13 ILE 34 2HG1 ILE 34 6.320 6.060 -1.482 245 HG21 ILE 34 1HG2 ILE 34 5.579 6.868 2.451 246 HG22 ILE 34 2HG2 ILE 34 5.311 8.401 1.621 247 HG23 ILE 34 3HG2 ILE 34 4.358 6.983 1.184 248 HD11 ILE 34 3HD1 ILE 34 6.664 4.019 -0.677 249 HD12 ILE 34 1HD1 ILE 34 6.138 4.474 0.944 250 HD13 ILE 34 2HD1 ILE 34 4.947 4.020 -0.275 251 H HIS 35 H HIS 35 6.528 8.032 -2.752 252 HA HIS 35 HA HIS 35 8.990 6.627 -3.340 253 HB2 HIS 35 1HB HIS 35 6.787 7.603 -5.170 254 HB3 HIS 35 2HB HIS 35 8.137 6.583 -5.660 255 HD1 HIS 35 HD1 HIS 35 8.053 4.627 -3.217 256 HD2 HIS 35 HD2 HIS 35 4.767 5.777 -5.486 257 HE1 HIS 35 HE1 HIS 35 6.353 2.799 -2.914 258 H THR 36 H THR 36 7.596 9.818 -3.865 259 HA THR 36 HA THR 36 9.458 10.866 -5.645 260 HB THR 36 HB THR 36 8.802 13.072 -4.873 261 HG1 THR 36 HG1 THR 36 7.280 13.086 -3.010 262 HG21 THR 36 3HG2 THR 36 6.972 12.669 -6.085 263 HG22 THR 36 1HG2 THR 36 6.153 12.241 -4.583 264 HG23 THR 36 2HG2 THR 36 6.921 10.987 -5.557 265 H LYS 37 H LYS 37 9.665 10.364 -2.191 266 HA LYS 37 HA LYS 37 12.319 11.632 -2.161 267 HB2 LYS 37 1HB LYS 37 10.370 12.230 -0.501 268 HB3 LYS 37 2HB LYS 37 10.894 10.769 0.326 269 HG2 LYS 37 1HG LYS 37 12.021 12.535 1.379 270 HG3 LYS 37 2HG LYS 37 13.219 11.768 0.334 271 HD2 LYS 37 1HD LYS 37 12.674 13.514 -1.393 272 HD3 LYS 37 2HD LYS 37 11.712 14.331 -0.160 273 HE2 LYS 37 1HE LYS 37 14.576 13.606 0.342 274 HE3 LYS 37 2HE LYS 37 14.155 15.078 -0.531 275 HZ1 LYS 37 3HZ LYS 37 14.390 15.635 1.746 276 HZ2 LYS 37 1HZ LYS 37 13.400 14.356 2.244 277 HZ3 LYS 37 2HZ LYS 37 12.732 15.667 1.411 278 H GLN 38 H GLN 38 13.932 10.248 -2.457 279 HA GLN 38 HA GLN 38 13.828 7.498 -2.378 280 HB2 GLN 38 1HB GLN 38 16.133 9.390 -1.953 281 HB3 GLN 38 2HB GLN 38 16.352 7.646 -2.008 282 HG2 GLN 38 1HG GLN 38 16.750 8.961 -4.151 283 HG3 GLN 38 2HG GLN 38 15.747 7.515 -4.250 284 HE21 GLN 38 1HE2 GLN 38 13.831 7.695 -5.182 285 HE22 GLN 38 2HE2 GLN 38 13.013 9.176 -5.529 286 H LYS 39 H LYS 39 14.139 5.926 -0.869 287 HA LYS 39 HA LYS 39 14.493 6.810 1.920 288 HB2 LYS 39 1HB LYS 39 13.100 4.562 2.293 289 HB3 LYS 39 2HB LYS 39 12.325 6.126 2.079 290 HG2 LYS 39 1HG LYS 39 11.146 4.681 0.679 291 HG3 LYS 39 2HG LYS 39 12.232 5.557 -0.402 292 HD2 LYS 39 1HD LYS 39 12.395 3.314 -1.076 293 HD3 LYS 39 2HD LYS 39 13.838 3.594 -0.098 294 HE2 LYS 39 1HE LYS 39 12.502 2.672 1.857 295 HE3 LYS 39 2HE LYS 39 11.320 2.135 0.664 296 HZ1 LYS 39 3HZ LYS 39 12.691 0.307 0.948 297 HZ2 LYS 39 1HZ LYS 39 14.105 1.233 1.034 298 HZ3 LYS 39 2HZ LYS 39 13.320 1.023 -0.449 299 HA PRO 40 HA PRO 40 17.710 3.635 0.657 300 HB2 PRO 40 1HB PRO 40 19.866 5.145 1.321 301 HB3 PRO 40 2HB PRO 40 19.114 5.194 -0.279 302 HG2 PRO 40 1HG PRO 40 18.781 7.072 2.029 303 HG3 PRO 40 2HG PRO 40 18.972 7.441 0.305 304 HD2 PRO 40 1HD PRO 40 16.564 7.469 1.544 305 HD3 PRO 40 2HD PRO 40 16.756 7.010 -0.161 306 H SER 41 H SER 41 18.356 2.174 2.119 307 HA SER 41 HA SER 41 19.438 2.774 4.649 308 HB2 SER 41 1HB SER 41 17.666 2.150 6.140 309 HB3 SER 41 2HB SER 41 17.019 3.379 5.053 310 HG SER 41 HG SER 41 16.013 1.743 3.873 311 H GLY 42 H GLY 42 20.890 1.188 4.678 312 HA2 GLY 42 1HA GLY 42 21.639 -0.990 4.992 313 HA3 GLY 42 2HA GLY 42 19.999 -1.562 4.727 314 HA PRO 43 HA PRO 43 22.231 -0.992 0.435 315 HB2 PRO 43 1HB PRO 43 24.935 -1.200 0.573 316 HB3 PRO 43 2HB PRO 43 24.084 0.347 0.666 317 HG2 PRO 43 1HG PRO 43 25.191 -1.343 2.875 318 HG3 PRO 43 2HG PRO 43 25.272 0.415 2.664 319 HD2 PRO 43 1HD PRO 43 23.495 -0.771 4.327 320 HD3 PRO 43 2HD PRO 43 23.134 0.736 3.463 321 H SER 44 H SER 44 22.244 -2.797 -0.768 322 HA SER 44 HA SER 44 22.489 -5.350 0.482 323 HB2 SER 44 1HB SER 44 20.948 -4.743 -1.458 324 HB3 SER 44 2HB SER 44 22.373 -4.842 -2.492 325 HG SER 44 HG SER 44 21.784 -6.874 -2.574 326 H SER 45 H SER 45 23.804 -7.101 -0.753 327 HA SER 45 HA SER 45 26.484 -6.751 -0.246 328 HB2 SER 45 1HB SER 45 26.876 -8.761 -1.596 329 HB3 SER 45 2HB SER 45 25.432 -8.952 -0.603 330 HG SER 45 HG SER 45 25.071 -9.638 -2.749 331 H GLY 46 H GLY 46 24.806 -6.375 -3.356 332 HA2 GLY 46 1HA GLY 46 27.230 -5.530 -4.689 333 HA3 GLY 46 2HA GLY 46 25.621 -5.607 -5.393 Start of MODEL 6 1 H1 GLY 1 H GLY 1 1.892 -14.015 3.389 2 HA2 GLY 1 1HA GLY 1 0.267 -13.021 1.545 3 HA3 GLY 1 2HA GLY 1 -0.418 -14.631 1.716 4 H SER 2 H SER 2 -2.381 -13.882 2.511 5 HA SER 2 HA SER 2 -3.884 -13.074 4.028 6 HB2 SER 2 1HB SER 2 -2.979 -15.073 5.209 7 HB3 SER 2 2HB SER 2 -1.807 -14.029 6.013 8 HG SER 2 HG SER 2 -3.555 -14.264 7.369 9 H SER 3 H SER 3 -2.260 -11.070 3.006 10 HA SER 3 HA SER 3 -0.813 -9.405 4.516 11 HB2 SER 3 1HB SER 3 -2.995 -8.837 2.546 12 HB3 SER 3 2HB SER 3 -2.261 -7.493 3.420 13 HG SER 3 HG SER 3 -0.205 -8.333 2.662 14 H GLY 4 H GLY 4 -4.363 -9.590 4.675 15 HA2 GLY 4 1HA GLY 4 -5.235 -9.572 7.026 16 HA3 GLY 4 2HA GLY 4 -4.214 -8.160 7.257 17 H SER 5 H SER 5 -7.227 -9.341 6.116 18 HA SER 5 HA SER 5 -8.046 -6.582 5.503 19 HB2 SER 5 1HB SER 5 -9.596 -7.539 3.774 20 HB3 SER 5 2HB SER 5 -7.886 -7.708 3.378 21 HG SER 5 HG SER 5 -9.432 -9.737 4.618 22 H SER 6 H SER 6 -8.976 -6.285 7.516 23 HA SER 6 HA SER 6 -11.163 -8.105 8.252 24 HB2 SER 6 1HB SER 6 -9.580 -6.114 9.886 25 HB3 SER 6 2HB SER 6 -11.011 -6.947 10.494 26 HG SER 6 HG SER 6 -9.921 -8.921 10.133 27 H GLY 7 H GLY 7 -12.738 -7.276 6.854 28 HA2 GLY 7 1HA GLY 7 -14.719 -5.786 7.437 29 HA3 GLY 7 2HA GLY 7 -13.543 -4.482 7.358 30 H THR 8 H THR 8 -16.022 -5.501 5.740 31 HA THR 8 HA THR 8 -15.274 -6.133 3.149 32 HB THR 8 HB THR 8 -17.611 -4.393 3.961 33 HG1 THR 8 HG1 THR 8 -18.721 -6.456 3.907 34 HG21 THR 8 3HG2 THR 8 -17.933 -6.188 1.686 35 HG22 THR 8 1HG2 THR 8 -16.695 -4.961 1.422 36 HG23 THR 8 2HG2 THR 8 -18.338 -4.479 1.843 37 H GLY 9 H GLY 9 -13.750 -5.084 2.026 38 HA2 GLY 9 1HA GLY 9 -14.185 -2.254 1.449 39 HA3 GLY 9 2HA GLY 9 -12.647 -2.684 2.183 40 H GLU 10 H GLU 10 -13.580 -1.664 -0.563 41 HA GLU 10 HA GLU 10 -12.339 -3.747 -2.222 42 HB2 GLU 10 1HB GLU 10 -14.550 -3.038 -2.963 43 HB3 GLU 10 2HB GLU 10 -14.022 -1.362 -3.006 44 HG2 GLU 10 1HG GLU 10 -14.022 -2.128 -5.233 45 HG3 GLU 10 2HG GLU 10 -12.334 -2.041 -4.733 46 H LYS 11 H LYS 11 -10.773 -3.135 -3.818 47 HA LYS 11 HA LYS 11 -9.353 -0.629 -3.201 48 HB2 LYS 11 1HB LYS 11 -7.232 -1.905 -3.728 49 HB3 LYS 11 2HB LYS 11 -8.025 -2.333 -2.218 50 HG2 LYS 11 1HG LYS 11 -8.690 -3.905 -4.649 51 HG3 LYS 11 2HG LYS 11 -7.125 -4.167 -3.876 52 HD2 LYS 11 1HD LYS 11 -8.280 -4.588 -1.739 53 HD3 LYS 11 2HD LYS 11 -9.831 -4.384 -2.557 54 HE2 LYS 11 1HE LYS 11 -8.813 -6.231 -4.157 55 HE3 LYS 11 2HE LYS 11 -7.866 -6.611 -2.719 56 HZ1 LYS 11 3HZ LYS 11 -10.476 -6.306 -1.866 57 HZ2 LYS 11 1HZ LYS 11 -9.604 -7.750 -1.994 58 HZ3 LYS 11 2HZ LYS 11 -10.569 -7.228 -3.281 59 HA PRO 12 HA PRO 12 -10.374 -0.806 -7.716 60 HB2 PRO 12 1HB PRO 12 -11.129 1.797 -7.877 61 HB3 PRO 12 2HB PRO 12 -12.236 0.503 -7.402 62 HG2 PRO 12 1HG PRO 12 -10.743 2.444 -5.681 63 HG3 PRO 12 2HG PRO 12 -12.425 1.897 -5.551 64 HD2 PRO 12 1HD PRO 12 -10.445 0.905 -3.992 65 HD3 PRO 12 2HD PRO 12 -11.835 -0.072 -4.507 66 H TYR 13 H TYR 13 -8.157 0.757 -5.709 67 HA TYR 13 HA TYR 13 -6.611 1.648 -8.050 68 HB2 TYR 13 1HB TYR 13 -6.589 3.066 -5.384 69 HB3 TYR 13 2HB TYR 13 -5.848 3.597 -6.890 70 HD1 TYR 13 HD2 TYR 13 -7.840 3.440 -8.890 71 HD2 TYR 13 HD1 TYR 13 -8.332 4.444 -4.785 72 HE1 TYR 13 HE2 TYR 13 -9.875 4.703 -9.449 73 HE2 TYR 13 HE1 TYR 13 -10.369 5.710 -5.333 74 HH TYR 13 HH TYR 13 -11.457 6.077 -8.688 75 H ILE 14 H ILE 14 -4.416 1.273 -7.993 76 HA ILE 14 HA ILE 14 -3.276 0.038 -5.599 77 HB ILE 14 HB ILE 14 -3.139 -1.234 -8.336 78 HG12 ILE 14 1HG1 ILE 14 -4.242 -2.540 -5.873 79 HG13 ILE 14 2HG1 ILE 14 -5.257 -1.446 -6.807 80 HG21 ILE 14 1HG2 ILE 14 -1.563 -2.690 -7.572 81 HG22 ILE 14 2HG2 ILE 14 -1.132 -1.279 -6.606 82 HG23 ILE 14 3HG2 ILE 14 -2.102 -2.570 -5.898 83 HD11 ILE 14 3HD1 ILE 14 -5.575 -2.946 -8.423 84 HD12 ILE 14 1HD1 ILE 14 -3.885 -3.449 -8.424 85 HD13 ILE 14 2HD1 ILE 14 -5.004 -4.119 -7.237 86 H CYS 15 H CYS 15 -1.250 0.689 -5.211 87 HA CYS 15 HA CYS 15 -0.032 2.611 -6.962 88 HB2 CYS 15 1HB CYS 15 0.025 2.672 -4.426 89 HB3 CYS 15 2HB CYS 15 1.198 1.361 -4.505 90 H ALA 16 H ALA 16 0.267 1.247 -8.832 91 HA ALA 16 HA ALA 16 1.626 -1.097 -9.069 92 HB1 ALA 16 3HB ALA 16 1.032 -0.513 -11.146 93 HB2 ALA 16 1HB ALA 16 1.177 1.211 -10.804 94 HB3 ALA 16 2HB ALA 16 2.610 0.271 -11.219 95 H GLU 17 H GLU 17 3.014 2.105 -8.567 96 HA GLU 17 HA GLU 17 5.652 1.773 -9.077 97 HB2 GLU 17 1HB GLU 17 4.201 3.240 -6.919 98 HB3 GLU 17 2HB GLU 17 5.954 3.139 -6.830 99 HG2 GLU 17 1HG GLU 17 4.517 4.114 -9.277 100 HG3 GLU 17 2HG GLU 17 4.983 5.183 -7.955 101 H CYS 18 H CYS 18 4.154 0.953 -5.943 102 HA CYS 18 HA CYS 18 6.442 -0.812 -5.399 103 HB2 CYS 18 1HB CYS 18 5.556 -0.729 -3.017 104 HB3 CYS 18 2HB CYS 18 6.218 0.775 -3.649 105 H GLY 19 H GLY 19 2.896 -0.669 -5.125 106 HA2 GLY 19 1HA GLY 19 1.703 -2.621 -6.088 107 HA3 GLY 19 2HA GLY 19 2.885 -3.622 -5.259 108 H LYS 20 H LYS 20 0.858 -0.860 -4.275 109 HA LYS 20 HA LYS 20 -0.116 -2.517 -2.040 110 HB2 LYS 20 1HB LYS 20 0.732 0.344 -2.168 111 HB3 LYS 20 2HB LYS 20 -0.541 -0.105 -1.041 112 HG2 LYS 20 1HG LYS 20 0.871 -1.473 0.203 113 HG3 LYS 20 2HG LYS 20 2.060 -1.586 -1.097 114 HD2 LYS 20 1HD LYS 20 3.123 -0.081 0.251 115 HD3 LYS 20 2HD LYS 20 2.168 1.036 -0.727 116 HE2 LYS 20 1HE LYS 20 0.395 0.896 1.061 117 HE3 LYS 20 2HE LYS 20 1.571 0.030 2.049 118 HZ1 LYS 20 3HZ LYS 20 2.964 2.195 1.279 119 HZ2 LYS 20 1HZ LYS 20 2.125 2.067 2.743 120 HZ3 LYS 20 2HZ LYS 20 1.407 2.842 1.422 121 H ALA 21 H ALA 21 -2.292 -2.410 -1.496 122 HA ALA 21 HA ALA 21 -4.021 -1.373 -3.623 123 HB1 ALA 21 3HB ALA 21 -5.128 -3.040 -1.437 124 HB2 ALA 21 1HB ALA 21 -5.492 -3.042 -3.163 125 HB3 ALA 21 2HB ALA 21 -4.021 -3.814 -2.570 126 H PHE 22 H PHE 22 -5.087 0.462 -3.331 127 HA PHE 22 HA PHE 22 -5.678 1.322 -0.575 128 HB2 PHE 22 1HB PHE 22 -4.935 2.991 -2.982 129 HB3 PHE 22 2HB PHE 22 -5.559 3.668 -1.482 130 HD1 PHE 22 HD1 PHE 22 -4.229 3.547 0.580 131 HD2 PHE 22 HD2 PHE 22 -2.685 2.237 -3.163 132 HE1 PHE 22 HE1 PHE 22 -1.948 3.611 1.502 133 HE2 PHE 22 HE2 PHE 22 -0.403 2.297 -2.247 134 HZ PHE 22 HZ PHE 22 -0.032 2.984 0.088 135 H THR 23 H THR 23 -7.698 2.101 -0.126 136 HA THR 23 HA THR 23 -9.767 1.448 -2.049 137 HB THR 23 HB THR 23 -10.188 0.751 0.209 138 HG1 THR 23 HG1 THR 23 -12.077 1.392 -0.748 139 HG21 THR 23 3HG2 THR 23 -10.429 2.409 2.042 140 HG22 THR 23 1HG2 THR 23 -9.810 3.652 0.956 141 HG23 THR 23 2HG2 THR 23 -8.782 2.297 1.422 142 H ILE 24 H ILE 24 -8.583 4.312 -0.330 143 HA ILE 24 HA ILE 24 -10.406 6.015 -1.847 144 HB ILE 24 HB ILE 24 -8.516 6.606 0.427 145 HG12 ILE 24 1HG1 ILE 24 -10.610 5.481 1.038 146 HG13 ILE 24 2HG1 ILE 24 -10.588 7.136 1.637 147 HG21 ILE 24 1HG2 ILE 24 -8.568 8.473 -1.194 148 HG22 ILE 24 2HG2 ILE 24 -10.318 8.555 -1.001 149 HG23 ILE 24 3HG2 ILE 24 -9.263 8.898 0.369 150 HD11 ILE 24 3HD1 ILE 24 -12.509 7.523 0.625 151 HD12 ILE 24 1HD1 ILE 24 -11.774 7.154 -0.935 152 HD13 ILE 24 2HD1 ILE 24 -12.523 5.869 0.014 153 H ARG 25 H ARG 25 -9.811 7.006 -3.652 154 HA ARG 25 HA ARG 25 -7.483 6.660 -5.020 155 HB2 ARG 25 1HB ARG 25 -8.094 8.505 -6.401 156 HB3 ARG 25 2HB ARG 25 -9.588 7.749 -5.864 157 HG2 ARG 25 1HG ARG 25 -9.753 9.493 -4.093 158 HG3 ARG 25 2HG ARG 25 -8.358 10.290 -4.824 159 HD2 ARG 25 1HD ARG 25 -10.846 9.632 -6.379 160 HD3 ARG 25 2HD ARG 25 -10.656 11.146 -5.496 161 HE ARG 25 HE ARG 25 -8.447 11.123 -6.997 162 HH11 ARG 25 1HH1 ARG 25 -11.777 10.501 -7.799 163 HH12 ARG 25 2HH1 ARG 25 -11.628 11.072 -9.428 164 HH21 ARG 25 1HH2 ARG 25 -8.238 11.879 -9.139 165 HH22 ARG 25 2HH2 ARG 25 -9.614 11.855 -10.189 166 H SER 26 H SER 26 -8.214 9.366 -2.831 167 HA SER 26 HA SER 26 -5.802 10.741 -3.118 168 HB2 SER 26 1HB SER 26 -7.944 11.496 -1.926 169 HB3 SER 26 2HB SER 26 -7.339 10.612 -0.526 170 HG SER 26 HG SER 26 -6.585 13.033 -1.501 171 H ASN 27 H ASN 27 -6.734 8.289 -0.716 172 HA ASN 27 HA ASN 27 -4.500 8.208 0.853 173 HB2 ASN 27 1HB ASN 27 -6.430 6.113 -0.048 174 HB3 ASN 27 2HB ASN 27 -4.996 5.607 0.839 175 HD21 ASN 27 1HD2 ASN 27 -6.685 4.878 2.355 176 HD22 ASN 27 2HD2 ASN 27 -7.252 6.000 3.540 177 H LEU 28 H LEU 28 -4.789 7.239 -2.453 178 HA LEU 28 HA LEU 28 -2.323 5.725 -2.462 179 HB2 LEU 28 1HB LEU 28 -4.137 5.041 -3.915 180 HB3 LEU 28 2HB LEU 28 -4.136 6.620 -4.697 181 HG LEU 28 HG LEU 28 -1.657 5.960 -5.291 182 HD11 LEU 28 1HD1 LEU 28 -1.482 3.543 -5.749 183 HD12 LEU 28 2HD1 LEU 28 -2.997 3.291 -4.883 184 HD13 LEU 28 3HD1 LEU 28 -1.584 3.906 -4.026 185 HD21 LEU 28 3HD2 LEU 28 -4.247 5.406 -6.582 186 HD22 LEU 28 1HD2 LEU 28 -2.856 4.555 -7.254 187 HD23 LEU 28 2HD2 LEU 28 -2.854 6.317 -7.167 188 H ILE 29 H ILE 29 -3.473 8.874 -3.585 189 HA ILE 29 HA ILE 29 -1.083 9.650 -4.881 190 HB ILE 29 HB ILE 29 -3.201 11.415 -3.647 191 HG12 ILE 29 1HG1 ILE 29 -2.970 10.734 -6.563 192 HG13 ILE 29 2HG1 ILE 29 -3.831 9.661 -5.465 193 HG21 ILE 29 1HG2 ILE 29 -0.988 12.484 -4.156 194 HG22 ILE 29 2HG2 ILE 29 -1.263 12.084 -5.851 195 HG23 ILE 29 3HG2 ILE 29 -2.366 13.175 -5.013 196 HD11 ILE 29 3HD1 ILE 29 -5.069 11.874 -4.794 197 HD12 ILE 29 1HD1 ILE 29 -4.534 12.392 -6.392 198 HD13 ILE 29 2HD1 ILE 29 -5.544 10.956 -6.224 199 H LYS 30 H LYS 30 -2.341 10.314 -1.624 200 HA LYS 30 HA LYS 30 -0.276 11.951 -0.721 201 HB2 LYS 30 1HB LYS 30 -1.139 11.654 1.421 202 HB3 LYS 30 2HB LYS 30 -2.529 11.329 0.394 203 HG2 LYS 30 1HG LYS 30 -2.196 8.942 0.650 204 HG3 LYS 30 2HG LYS 30 -0.746 9.230 1.615 205 HD2 LYS 30 1HD LYS 30 -3.438 10.318 2.398 206 HD3 LYS 30 2HD LYS 30 -2.896 8.709 2.880 207 HE2 LYS 30 1HE LYS 30 -1.225 9.537 4.242 208 HE3 LYS 30 2HE LYS 30 -1.134 11.069 3.374 209 HZ1 LYS 30 3HZ LYS 30 -2.161 11.534 5.418 210 HZ2 LYS 30 1HZ LYS 30 -3.193 10.197 5.315 211 HZ3 LYS 30 2HZ LYS 30 -3.421 11.522 4.289 212 H HIS 31 H HIS 31 -0.383 8.518 -1.192 213 HA HIS 31 HA HIS 31 2.087 8.108 0.307 214 HB2 HIS 31 1HB HIS 31 0.731 6.303 0.754 215 HB3 HIS 31 2HB HIS 31 -0.010 6.327 -0.844 216 HD1 HIS 31 HD1 HIS 31 2.741 4.804 1.093 217 HD2 HIS 31 HD2 HIS 31 1.525 5.027 -2.874 218 HE1 HIS 31 HE1 HIS 31 4.045 3.022 -0.111 219 H GLN 32 H GLN 32 0.869 8.129 -2.984 220 HA GLN 32 HA GLN 32 3.032 6.984 -4.309 221 HB2 GLN 32 1HB GLN 32 0.875 8.890 -5.059 222 HB3 GLN 32 2HB GLN 32 2.245 8.748 -6.152 223 HG2 GLN 32 1HG GLN 32 1.830 6.230 -6.055 224 HG3 GLN 32 2HG GLN 32 0.273 6.645 -5.340 225 HE21 GLN 32 1HE2 GLN 32 -1.078 8.158 -6.590 226 HE22 GLN 32 2HE2 GLN 32 -1.055 8.041 -8.313 227 H LYS 33 H LYS 33 2.679 10.120 -2.866 228 HA LYS 33 HA LYS 33 4.886 11.338 -4.226 229 HB2 LYS 33 1HB LYS 33 4.542 13.203 -2.798 230 HB3 LYS 33 2HB LYS 33 2.945 12.563 -3.160 231 HG2 LYS 33 1HG LYS 33 2.590 11.853 -1.025 232 HG3 LYS 33 2HG LYS 33 4.307 11.595 -0.706 233 HD2 LYS 33 1HD LYS 33 3.685 13.464 0.596 234 HD3 LYS 33 2HD LYS 33 4.557 14.117 -0.792 235 HE2 LYS 33 1HE LYS 33 2.577 14.858 -1.820 236 HE3 LYS 33 2HE LYS 33 1.564 13.869 -0.769 237 HZ1 LYS 33 3HZ LYS 33 3.092 15.626 0.807 238 HZ2 LYS 33 1HZ LYS 33 1.410 15.551 0.638 239 HZ3 LYS 33 2HZ LYS 33 2.323 16.521 -0.405 240 H ILE 34 H ILE 34 4.642 9.059 -1.758 241 HA ILE 34 HA ILE 34 6.897 9.798 -0.185 242 HB ILE 34 HB ILE 34 6.669 7.746 0.924 243 HG12 ILE 34 1HG1 ILE 34 5.010 6.014 -0.280 244 HG13 ILE 34 2HG1 ILE 34 5.673 6.795 -1.711 245 HG21 ILE 34 1HG2 ILE 34 3.952 7.464 0.648 246 HG22 ILE 34 2HG2 ILE 34 4.766 8.607 1.715 247 HG23 ILE 34 3HG2 ILE 34 4.232 9.121 0.115 248 HD11 ILE 34 3HD1 ILE 34 7.854 6.097 -1.207 249 HD12 ILE 34 1HD1 ILE 34 7.420 5.660 0.445 250 HD13 ILE 34 2HD1 ILE 34 6.827 4.695 -0.908 251 H HIS 35 H HIS 35 6.556 8.379 -3.264 252 HA HIS 35 HA HIS 35 9.077 6.965 -3.224 253 HB2 HIS 35 1HB HIS 35 7.129 7.570 -5.454 254 HB3 HIS 35 2HB HIS 35 8.601 6.627 -5.665 255 HD1 HIS 35 HD1 HIS 35 8.624 4.610 -3.569 256 HD2 HIS 35 HD2 HIS 35 5.045 5.881 -5.253 257 HE1 HIS 35 HE1 HIS 35 6.976 2.765 -3.118 258 H THR 36 H THR 36 7.874 10.088 -4.179 259 HA THR 36 HA THR 36 9.589 11.071 -5.999 260 HB THR 36 HB THR 36 7.835 12.379 -4.736 261 HG1 THR 36 HG1 THR 36 8.746 14.082 -5.612 262 HG21 THR 36 3HG2 THR 36 8.111 12.992 -2.601 263 HG22 THR 36 1HG2 THR 36 9.772 13.511 -2.882 264 HG23 THR 36 2HG2 THR 36 9.423 11.815 -2.544 265 H LYS 37 H LYS 37 11.639 12.059 -6.032 266 HA LYS 37 HA LYS 37 13.613 10.744 -4.462 267 HB2 LYS 37 1HB LYS 37 15.207 12.232 -5.649 268 HB3 LYS 37 2HB LYS 37 14.118 11.380 -6.736 269 HG2 LYS 37 1HG LYS 37 12.697 13.464 -6.751 270 HG3 LYS 37 2HG LYS 37 14.031 14.271 -5.923 271 HD2 LYS 37 1HD LYS 37 14.337 14.734 -8.214 272 HD3 LYS 37 2HD LYS 37 15.504 13.467 -7.831 273 HE2 LYS 37 1HE LYS 37 13.945 11.789 -8.726 274 HE3 LYS 37 2HE LYS 37 12.814 13.076 -9.141 275 HZ1 LYS 37 3HZ LYS 37 13.860 13.014 -11.104 276 HZ2 LYS 37 1HZ LYS 37 15.232 12.240 -10.485 277 HZ3 LYS 37 2HZ LYS 37 15.065 13.916 -10.331 278 H GLN 38 H GLN 38 13.746 11.189 -2.346 279 HA GLN 38 HA GLN 38 14.248 13.970 -1.578 280 HB2 GLN 38 1HB GLN 38 11.821 13.213 -1.140 281 HB3 GLN 38 2HB GLN 38 12.509 12.214 0.133 282 HG2 GLN 38 1HG GLN 38 13.182 14.049 1.385 283 HG3 GLN 38 2HG GLN 38 13.093 15.143 0.006 284 HE21 GLN 38 1HE2 GLN 38 11.932 16.217 1.972 285 HE22 GLN 38 2HE2 GLN 38 10.214 16.037 1.976 286 H LYS 39 H LYS 39 16.132 14.068 -0.572 287 HA LYS 39 HA LYS 39 18.106 13.260 0.328 288 HB2 LYS 39 1HB LYS 39 17.807 12.742 2.720 289 HB3 LYS 39 2HB LYS 39 16.882 14.155 2.229 290 HG2 LYS 39 1HG LYS 39 14.856 13.056 2.414 291 HG3 LYS 39 2HG LYS 39 15.595 11.459 2.281 292 HD2 LYS 39 1HD LYS 39 16.376 11.509 4.485 293 HD3 LYS 39 2HD LYS 39 16.189 13.260 4.606 294 HE2 LYS 39 1HE LYS 39 13.877 13.117 4.846 295 HE3 LYS 39 2HE LYS 39 13.811 11.491 4.169 296 HZ1 LYS 39 3HZ LYS 39 13.476 11.354 6.511 297 HZ2 LYS 39 1HZ LYS 39 14.861 12.270 6.833 298 HZ3 LYS 39 2HZ LYS 39 15.007 10.718 6.177 299 HA PRO 40 HA PRO 40 17.062 8.734 -0.586 300 HB2 PRO 40 1HB PRO 40 18.348 8.571 -2.971 301 HB3 PRO 40 2HB PRO 40 16.648 9.032 -2.826 302 HG2 PRO 40 1HG PRO 40 19.059 10.772 -3.174 303 HG3 PRO 40 2HG PRO 40 17.474 10.884 -3.962 304 HD2 PRO 40 1HD PRO 40 18.178 12.460 -1.876 305 HD3 PRO 40 2HD PRO 40 16.506 11.930 -2.150 306 H SER 41 H SER 41 18.842 7.075 -1.376 307 HA SER 41 HA SER 41 21.326 7.783 0.041 308 HB2 SER 41 1HB SER 41 19.928 5.123 -0.283 309 HB3 SER 41 2HB SER 41 21.565 5.283 0.354 310 HG SER 41 HG SER 41 19.909 5.227 1.985 311 H GLY 42 H GLY 42 23.256 6.452 -0.706 312 HA2 GLY 42 1HA GLY 42 23.236 6.349 -3.659 313 HA3 GLY 42 2HA GLY 42 24.622 6.861 -2.707 314 HA PRO 43 HA PRO 43 26.179 2.766 -3.023 315 HB2 PRO 43 1HB PRO 43 27.868 2.772 -0.898 316 HB3 PRO 43 2HB PRO 43 28.207 3.646 -2.397 317 HG2 PRO 43 1HG PRO 43 27.109 4.677 0.189 318 HG3 PRO 43 2HG PRO 43 28.335 5.395 -0.871 319 HD2 PRO 43 1HD PRO 43 25.756 6.221 -0.859 320 HD3 PRO 43 2HD PRO 43 26.762 6.250 -2.322 321 H SER 44 H SER 44 25.467 0.823 -2.389 322 HA SER 44 HA SER 44 24.830 0.254 0.363 323 HB2 SER 44 1HB SER 44 22.493 -0.313 0.012 324 HB3 SER 44 2HB SER 44 22.757 1.367 -0.452 325 HG SER 44 HG SER 44 21.648 -0.444 -1.912 326 H SER 45 H SER 45 24.060 -2.039 0.611 327 HA SER 45 HA SER 45 25.821 -3.822 -0.535 328 HB2 SER 45 1HB SER 45 24.474 -4.262 1.510 329 HB3 SER 45 2HB SER 45 23.052 -4.489 0.492 330 HG SER 45 HG SER 45 24.759 -6.316 1.175 331 H GLY 46 H GLY 46 26.055 -4.075 -2.674 332 HA2 GLY 46 1HA GLY 46 25.561 -4.545 -4.867 333 HA3 GLY 46 2HA GLY 46 24.291 -5.565 -4.209 Start of MODEL 7 1 H1 GLY 1 H GLY 1 12.560 -16.391 -6.822 2 HA2 GLY 1 1HA GLY 1 10.347 -16.987 -5.698 3 HA3 GLY 1 2HA GLY 1 10.217 -15.948 -7.110 4 H SER 2 H SER 2 8.362 -17.966 -5.927 5 HA SER 2 HA SER 2 7.380 -19.040 -8.350 6 HB2 SER 2 1HB SER 2 9.134 -20.669 -8.199 7 HB3 SER 2 2HB SER 2 8.800 -20.956 -6.492 8 HG SER 2 HG SER 2 6.887 -21.438 -8.520 9 H SER 3 H SER 3 5.252 -19.382 -8.144 10 HA SER 3 HA SER 3 3.204 -19.160 -7.117 11 HB2 SER 3 1HB SER 3 4.480 -21.512 -5.713 12 HB3 SER 3 2HB SER 3 2.776 -21.093 -5.537 13 HG SER 3 HG SER 3 3.755 -22.602 -7.367 14 H GLY 4 H GLY 4 4.904 -17.253 -6.074 15 HA2 GLY 4 1HA GLY 4 5.086 -17.304 -3.244 16 HA3 GLY 4 2HA GLY 4 5.227 -15.878 -4.261 17 H SER 5 H SER 5 3.621 -14.426 -4.247 18 HA SER 5 HA SER 5 1.364 -14.928 -2.494 19 HB2 SER 5 1HB SER 5 0.905 -12.537 -2.732 20 HB3 SER 5 2HB SER 5 2.606 -12.795 -2.343 21 HG SER 5 HG SER 5 2.829 -12.743 -4.777 22 H SER 6 H SER 6 -0.481 -15.725 -3.224 23 HA SER 6 HA SER 6 -1.061 -15.872 -6.028 24 HB2 SER 6 1HB SER 6 -3.170 -16.973 -5.267 25 HB3 SER 6 2HB SER 6 -1.716 -17.716 -4.601 26 HG SER 6 HG SER 6 -2.139 -16.821 -2.650 27 H GLY 7 H GLY 7 -2.795 -14.392 -3.277 28 HA2 GLY 7 1HA GLY 7 -3.818 -12.368 -5.170 29 HA3 GLY 7 2HA GLY 7 -4.856 -13.106 -3.960 30 H THR 8 H THR 8 -4.314 -10.305 -4.291 31 HA THR 8 HA THR 8 -2.991 -9.757 -1.713 32 HB THR 8 HB THR 8 -1.614 -8.891 -3.531 33 HG1 THR 8 HG1 THR 8 -3.012 -7.003 -1.938 34 HG21 THR 8 3HG2 THR 8 -3.335 -8.623 -5.238 35 HG22 THR 8 1HG2 THR 8 -2.458 -7.111 -5.004 36 HG23 THR 8 2HG2 THR 8 -4.068 -7.312 -4.313 37 H GLY 9 H GLY 9 -5.525 -8.798 -3.987 38 HA2 GLY 9 1HA GLY 9 -7.539 -8.401 -2.184 39 HA3 GLY 9 2HA GLY 9 -6.680 -6.867 -2.201 40 H GLU 10 H GLU 10 -9.092 -6.473 -2.914 41 HA GLU 10 HA GLU 10 -9.064 -6.383 -5.856 42 HB2 GLU 10 1HB GLU 10 -11.452 -6.907 -4.077 43 HB3 GLU 10 2HB GLU 10 -11.533 -6.637 -5.812 44 HG2 GLU 10 1HG GLU 10 -9.875 -8.634 -5.931 45 HG3 GLU 10 2HG GLU 10 -10.476 -8.985 -4.311 46 H LYS 11 H LYS 11 -8.025 -4.329 -4.418 47 HA LYS 11 HA LYS 11 -10.016 -2.318 -3.883 48 HB2 LYS 11 1HB LYS 11 -7.051 -2.499 -3.726 49 HB3 LYS 11 2HB LYS 11 -7.754 -0.896 -3.889 50 HG2 LYS 11 1HG LYS 11 -7.321 -1.617 -1.544 51 HG3 LYS 11 2HG LYS 11 -8.990 -1.144 -1.872 52 HD2 LYS 11 1HD LYS 11 -9.741 -3.365 -1.847 53 HD3 LYS 11 2HD LYS 11 -8.108 -4.011 -2.029 54 HE2 LYS 11 1HE LYS 11 -7.760 -2.730 0.269 55 HE3 LYS 11 2HE LYS 11 -9.499 -2.990 0.390 56 HZ1 LYS 11 3HZ LYS 11 -8.367 -4.810 1.415 57 HZ2 LYS 11 1HZ LYS 11 -7.414 -5.073 0.043 58 HZ3 LYS 11 2HZ LYS 11 -9.077 -5.375 -0.013 59 HA PRO 12 HA PRO 12 -10.357 -0.637 -7.936 60 HB2 PRO 12 1HB PRO 12 -11.111 1.893 -7.303 61 HB3 PRO 12 2HB PRO 12 -12.191 0.502 -7.150 62 HG2 PRO 12 1HG PRO 12 -10.586 1.896 -5.042 63 HG3 PRO 12 2HG PRO 12 -12.258 1.310 -4.970 64 HD2 PRO 12 1HD PRO 12 -10.188 -0.056 -3.882 65 HD3 PRO 12 2HD PRO 12 -11.611 -0.866 -4.567 66 H TYR 13 H TYR 13 -8.282 0.817 -5.539 67 HA TYR 13 HA TYR 13 -6.683 2.010 -7.707 68 HB2 TYR 13 1HB TYR 13 -6.882 3.126 -4.908 69 HB3 TYR 13 2HB TYR 13 -6.112 3.868 -6.306 70 HD1 TYR 13 HD2 TYR 13 -7.539 4.705 -8.187 71 HD2 TYR 13 HD1 TYR 13 -9.200 3.402 -4.493 72 HE1 TYR 13 HE2 TYR 13 -9.630 5.885 -8.717 73 HE2 TYR 13 HE1 TYR 13 -11.296 4.578 -5.014 74 HH TYR 13 HH TYR 13 -11.609 6.909 -7.175 75 H ILE 14 H ILE 14 -4.801 1.015 -7.908 76 HA ILE 14 HA ILE 14 -3.475 -0.003 -5.482 77 HB ILE 14 HB ILE 14 -3.494 -1.301 -8.208 78 HG12 ILE 14 1HG1 ILE 14 -4.454 -2.557 -5.657 79 HG13 ILE 14 2HG1 ILE 14 -5.519 -1.493 -6.569 80 HG21 ILE 14 1HG2 ILE 14 -2.395 -3.029 -6.300 81 HG22 ILE 14 2HG2 ILE 14 -1.561 -2.226 -7.629 82 HG23 ILE 14 3HG2 ILE 14 -1.620 -1.466 -6.038 83 HD11 ILE 14 3HD1 ILE 14 -5.922 -3.044 -8.114 84 HD12 ILE 14 1HD1 ILE 14 -4.230 -3.531 -8.205 85 HD13 ILE 14 2HD1 ILE 14 -5.268 -4.181 -6.935 86 H CYS 15 H CYS 15 -1.376 0.515 -5.221 87 HA CYS 15 HA CYS 15 -0.224 2.462 -6.995 88 HB2 CYS 15 1HB CYS 15 0.031 2.592 -4.531 89 HB3 CYS 15 2HB CYS 15 0.990 1.116 -4.573 90 H ALA 16 H ALA 16 0.652 1.830 -8.854 91 HA ALA 16 HA ALA 16 1.643 -0.774 -9.356 92 HB1 ALA 16 3HB ALA 16 0.996 0.185 -11.312 93 HB2 ALA 16 1HB ALA 16 1.553 1.791 -10.839 94 HB3 ALA 16 2HB ALA 16 2.714 0.577 -11.379 95 H GLU 17 H GLU 17 3.149 2.220 -8.329 96 HA GLU 17 HA GLU 17 5.808 1.742 -8.860 97 HB2 GLU 17 1HB GLU 17 4.666 3.003 -6.361 98 HB3 GLU 17 2HB GLU 17 6.318 3.180 -6.934 99 HG2 GLU 17 1HG GLU 17 4.036 3.964 -8.690 100 HG3 GLU 17 2HG GLU 17 4.580 5.041 -7.405 101 H CYS 18 H CYS 18 4.090 0.873 -5.856 102 HA CYS 18 HA CYS 18 6.217 -1.080 -5.299 103 HB2 CYS 18 1HB CYS 18 5.379 -1.021 -2.958 104 HB3 CYS 18 2HB CYS 18 5.952 0.545 -3.525 105 H GLY 19 H GLY 19 2.689 -0.663 -5.246 106 HA2 GLY 19 1HA GLY 19 1.398 -2.470 -6.331 107 HA3 GLY 19 2HA GLY 19 2.453 -3.599 -5.494 108 H LYS 20 H LYS 20 1.456 -0.790 -3.774 109 HA LYS 20 HA LYS 20 0.096 -2.394 -1.822 110 HB2 LYS 20 1HB LYS 20 0.860 0.475 -2.085 111 HB3 LYS 20 2HB LYS 20 -0.425 0.066 -0.956 112 HG2 LYS 20 1HG LYS 20 0.991 -1.222 0.376 113 HG3 LYS 20 2HG LYS 20 2.214 -1.350 -0.890 114 HD2 LYS 20 1HD LYS 20 2.224 1.289 -0.625 115 HD3 LYS 20 2HD LYS 20 1.643 0.880 0.991 116 HE2 LYS 20 1HE LYS 20 4.088 -0.380 -0.227 117 HE3 LYS 20 2HE LYS 20 4.154 1.114 0.708 118 HZ1 LYS 20 3HZ LYS 20 4.360 -1.355 1.750 119 HZ2 LYS 20 1HZ LYS 20 2.717 -1.032 1.995 120 HZ3 LYS 20 2HZ LYS 20 3.888 0.016 2.621 121 H ALA 21 H ALA 21 -2.063 -2.511 -1.379 122 HA ALA 21 HA ALA 21 -3.853 -1.607 -3.495 123 HB1 ALA 21 3HB ALA 21 -3.882 -3.751 -1.488 124 HB2 ALA 21 1HB ALA 21 -5.446 -2.995 -1.799 125 HB3 ALA 21 2HB ALA 21 -4.534 -3.717 -3.126 126 H PHE 22 H PHE 22 -4.925 0.237 -3.309 127 HA PHE 22 HA PHE 22 -5.642 1.184 -0.613 128 HB2 PHE 22 1HB PHE 22 -4.860 2.853 -3.012 129 HB3 PHE 22 2HB PHE 22 -5.408 3.493 -1.467 130 HD1 PHE 22 HD1 PHE 22 -4.022 2.992 0.594 131 HD2 PHE 22 HD2 PHE 22 -2.614 2.343 -3.369 132 HE1 PHE 22 HE1 PHE 22 -1.705 2.977 1.424 133 HE2 PHE 22 HE2 PHE 22 -0.295 2.326 -2.546 134 HZ PHE 22 HZ PHE 22 0.162 2.642 -0.147 135 H THR 23 H THR 23 -7.667 2.081 -0.328 136 HA THR 23 HA THR 23 -9.590 1.469 -2.451 137 HB THR 23 HB THR 23 -10.022 0.508 -0.219 138 HG1 THR 23 HG1 THR 23 -12.042 0.716 -0.787 139 HG21 THR 23 3HG2 THR 23 -10.161 1.710 1.701 140 HG22 THR 23 1HG2 THR 23 -10.833 3.126 0.894 141 HG23 THR 23 2HG2 THR 23 -9.100 2.808 0.819 142 H ILE 24 H ILE 24 -8.464 4.111 -0.412 143 HA ILE 24 HA ILE 24 -10.351 5.974 -1.606 144 HB ILE 24 HB ILE 24 -8.121 6.628 0.314 145 HG12 ILE 24 1HG1 ILE 24 -10.982 5.888 0.962 146 HG13 ILE 24 2HG1 ILE 24 -9.583 4.858 1.244 147 HG21 ILE 24 1HG2 ILE 24 -9.188 8.493 -0.929 148 HG22 ILE 24 2HG2 ILE 24 -10.733 8.033 -0.216 149 HG23 ILE 24 3HG2 ILE 24 -9.416 8.589 0.817 150 HD11 ILE 24 3HD1 ILE 24 -9.114 7.389 2.454 151 HD12 ILE 24 1HD1 ILE 24 -10.699 6.798 2.950 152 HD13 ILE 24 2HD1 ILE 24 -9.265 5.804 3.211 153 H ARG 25 H ARG 25 -9.885 6.652 -3.598 154 HA ARG 25 HA ARG 25 -7.623 6.565 -5.042 155 HB2 ARG 25 1HB ARG 25 -8.427 8.422 -6.365 156 HB3 ARG 25 2HB ARG 25 -9.794 7.439 -5.860 157 HG2 ARG 25 1HG ARG 25 -10.163 9.077 -3.998 158 HG3 ARG 25 2HG ARG 25 -8.939 10.099 -4.753 159 HD2 ARG 25 1HD ARG 25 -11.329 9.091 -6.267 160 HD3 ARG 25 2HD ARG 25 -11.387 10.573 -5.313 161 HE ARG 25 HE ARG 25 -9.212 10.918 -6.896 162 HH11 ARG 25 1HH1 ARG 25 -12.541 10.104 -7.508 163 HH12 ARG 25 2HH1 ARG 25 -12.572 10.853 -9.071 164 HH21 ARG 25 1HH2 ARG 25 -9.240 11.906 -8.952 165 HH22 ARG 25 2HH2 ARG 25 -10.694 11.876 -9.891 166 H SER 26 H SER 26 -8.371 8.993 -2.598 167 HA SER 26 HA SER 26 -6.121 10.644 -3.094 168 HB2 SER 26 1HB SER 26 -8.103 10.365 -0.872 169 HB3 SER 26 2HB SER 26 -6.636 11.300 -0.584 170 HG SER 26 HG SER 26 -7.566 12.856 -1.622 171 H ASN 27 H ASN 27 -6.743 8.100 -0.690 172 HA ASN 27 HA ASN 27 -4.443 8.180 0.782 173 HB2 ASN 27 1HB ASN 27 -6.196 5.915 -0.099 174 HB3 ASN 27 2HB ASN 27 -4.716 5.566 0.790 175 HD21 ASN 27 1HD2 ASN 27 -5.654 4.850 2.638 176 HD22 ASN 27 2HD2 ASN 27 -6.590 5.852 3.689 177 H LEU 28 H LEU 28 -4.857 6.961 -2.476 178 HA LEU 28 HA LEU 28 -2.243 5.775 -2.616 179 HB2 LEU 28 1HB LEU 28 -3.913 4.810 -3.984 180 HB3 LEU 28 2HB LEU 28 -4.365 6.375 -4.658 181 HG LEU 28 HG LEU 28 -2.130 6.440 -5.786 182 HD11 LEU 28 1HD1 LEU 28 -1.094 4.773 -4.214 183 HD12 LEU 28 2HD1 LEU 28 -0.785 4.495 -5.927 184 HD13 LEU 28 3HD1 LEU 28 -1.984 3.520 -5.078 185 HD21 LEU 28 3HD2 LEU 28 -3.122 4.033 -6.975 186 HD22 LEU 28 1HD2 LEU 28 -3.245 5.695 -7.553 187 HD23 LEU 28 2HD2 LEU 28 -4.476 5.045 -6.470 188 H ILE 29 H ILE 29 -3.727 8.814 -3.595 189 HA ILE 29 HA ILE 29 -1.591 9.803 -5.139 190 HB ILE 29 HB ILE 29 -3.628 11.362 -3.544 191 HG12 ILE 29 1HG1 ILE 29 -3.713 10.818 -6.501 192 HG13 ILE 29 2HG1 ILE 29 -4.396 9.674 -5.351 193 HG21 ILE 29 1HG2 ILE 29 -1.555 12.596 -4.274 194 HG22 ILE 29 2HG2 ILE 29 -2.057 12.291 -5.935 195 HG23 ILE 29 3HG2 ILE 29 -3.081 13.250 -4.868 196 HD11 ILE 29 3HD1 ILE 29 -6.271 10.843 -5.493 197 HD12 ILE 29 1HD1 ILE 29 -5.451 12.109 -4.580 198 HD13 ILE 29 2HD1 ILE 29 -5.468 12.163 -6.343 199 H LYS 30 H LYS 30 -2.481 10.522 -1.760 200 HA LYS 30 HA LYS 30 -0.300 12.126 -1.131 201 HB2 LYS 30 1HB LYS 30 -0.737 11.391 1.246 202 HB3 LYS 30 2HB LYS 30 -2.125 12.048 0.390 203 HG2 LYS 30 1HG LYS 30 -3.108 10.230 1.316 204 HG3 LYS 30 2HG LYS 30 -2.515 9.486 -0.171 205 HD2 LYS 30 1HD LYS 30 -1.792 7.982 1.422 206 HD3 LYS 30 2HD LYS 30 -0.376 9.022 1.251 207 HE2 LYS 30 1HE LYS 30 -2.485 9.561 3.317 208 HE3 LYS 30 2HE LYS 30 -1.167 8.430 3.621 209 HZ1 LYS 30 3HZ LYS 30 -0.406 10.453 4.444 210 HZ2 LYS 30 1HZ LYS 30 -1.016 11.341 3.139 211 HZ3 LYS 30 2HZ LYS 30 0.336 10.347 2.928 212 H HIS 31 H HIS 31 -0.516 8.680 -1.465 213 HA HIS 31 HA HIS 31 1.849 8.026 -0.022 214 HB2 HIS 31 1HB HIS 31 0.238 6.293 -0.366 215 HB3 HIS 31 2HB HIS 31 0.256 6.536 -2.110 216 HD1 HIS 31 HD1 HIS 31 2.707 5.477 0.604 217 HD2 HIS 31 HD2 HIS 31 1.851 4.777 -3.400 218 HE1 HIS 31 HE1 HIS 31 4.309 3.679 -0.121 219 H GLN 32 H GLN 32 1.145 8.446 -3.481 220 HA GLN 32 HA GLN 32 3.454 7.794 -4.693 221 HB2 GLN 32 1HB GLN 32 1.697 10.196 -5.145 222 HB3 GLN 32 2HB GLN 32 3.078 9.857 -6.180 223 HG2 GLN 32 1HG GLN 32 2.137 7.794 -6.895 224 HG3 GLN 32 2HG GLN 32 0.854 7.896 -5.691 225 HE21 GLN 32 1HE2 GLN 32 -0.940 8.039 -6.870 226 HE22 GLN 32 2HE2 GLN 32 -1.244 9.229 -8.084 227 H LYS 33 H LYS 33 3.027 10.387 -2.438 228 HA LYS 33 HA LYS 33 5.222 11.998 -3.027 229 HB2 LYS 33 1HB LYS 33 3.639 11.426 -0.565 230 HB3 LYS 33 2HB LYS 33 5.156 12.298 -0.388 231 HG2 LYS 33 1HG LYS 33 4.189 13.803 -2.282 232 HG3 LYS 33 2HG LYS 33 2.644 13.125 -1.763 233 HD2 LYS 33 1HD LYS 33 4.627 14.610 -0.040 234 HD3 LYS 33 2HD LYS 33 3.066 15.211 -0.603 235 HE2 LYS 33 1HE LYS 33 1.907 13.538 0.690 236 HE3 LYS 33 2HE LYS 33 3.434 12.792 1.159 237 HZ1 LYS 33 3HZ LYS 33 3.447 15.537 1.832 238 HZ2 LYS 33 1HZ LYS 33 3.605 14.193 2.847 239 HZ3 LYS 33 2HZ LYS 33 2.070 14.802 2.483 240 H ILE 34 H ILE 34 5.024 9.215 -0.816 241 HA ILE 34 HA ILE 34 7.730 9.243 -0.045 242 HB ILE 34 HB ILE 34 7.385 7.093 0.889 243 HG12 ILE 34 1HG1 ILE 34 5.035 5.996 0.237 244 HG13 ILE 34 2HG1 ILE 34 5.349 6.850 -1.269 245 HG21 ILE 34 1HG2 ILE 34 4.680 7.592 1.454 246 HG22 ILE 34 2HG2 ILE 34 6.088 8.059 2.407 247 HG23 ILE 34 3HG2 ILE 34 5.434 9.166 1.199 248 HD11 ILE 34 3HD1 ILE 34 6.111 4.462 -1.175 249 HD12 ILE 34 1HD1 ILE 34 7.338 5.638 -1.646 250 HD13 ILE 34 2HD1 ILE 34 7.329 4.980 -0.010 251 H HIS 35 H HIS 35 6.211 8.256 -2.947 252 HA HIS 35 HA HIS 35 8.378 6.494 -3.751 253 HB2 HIS 35 1HB HIS 35 5.707 7.225 -4.841 254 HB3 HIS 35 2HB HIS 35 6.934 6.700 -5.991 255 HD1 HIS 35 HD1 HIS 35 8.256 4.404 -4.620 256 HD2 HIS 35 HD2 HIS 35 4.160 5.059 -4.399 257 HE1 HIS 35 HE1 HIS 35 7.248 2.171 -4.053 258 H THR 36 H THR 36 7.323 9.773 -4.214 259 HA THR 36 HA THR 36 9.135 10.243 -6.430 260 HB THR 36 HB THR 36 8.354 12.588 -6.294 261 HG1 THR 36 HG1 THR 36 6.910 13.197 -4.739 262 HG21 THR 36 3HG2 THR 36 5.794 11.907 -6.537 263 HG22 THR 36 1HG2 THR 36 6.493 10.289 -6.572 264 HG23 THR 36 2HG2 THR 36 6.992 11.490 -7.763 265 H LYS 37 H LYS 37 10.501 9.325 -4.199 266 HA LYS 37 HA LYS 37 12.342 11.509 -3.783 267 HB2 LYS 37 1HB LYS 37 10.756 10.320 -1.513 268 HB3 LYS 37 2HB LYS 37 12.314 11.094 -1.254 269 HG2 LYS 37 1HG LYS 37 11.246 13.090 -2.521 270 HG3 LYS 37 2HG LYS 37 9.721 12.302 -2.109 271 HD2 LYS 37 1HD LYS 37 10.131 12.498 0.206 272 HD3 LYS 37 2HD LYS 37 11.832 12.891 -0.049 273 HE2 LYS 37 1HE LYS 37 9.499 14.620 -0.866 274 HE3 LYS 37 2HE LYS 37 10.485 14.859 0.576 275 HZ1 LYS 37 3HZ LYS 37 11.586 16.230 -0.816 276 HZ2 LYS 37 1HZ LYS 37 11.113 15.404 -2.215 277 HZ3 LYS 37 2HZ LYS 37 12.378 14.805 -1.266 278 H GLN 38 H GLN 38 14.104 10.476 -4.496 279 HA GLN 38 HA GLN 38 14.742 7.885 -4.676 280 HB2 GLN 38 1HB GLN 38 16.427 10.270 -4.050 281 HB3 GLN 38 2HB GLN 38 17.172 8.678 -4.005 282 HG2 GLN 38 1HG GLN 38 16.267 8.329 -6.336 283 HG3 GLN 38 2HG GLN 38 15.876 10.048 -6.339 284 HE21 GLN 38 1HE2 GLN 38 17.326 11.221 -7.344 285 HE22 GLN 38 2HE2 GLN 38 19.028 10.930 -7.389 286 H LYS 39 H LYS 39 14.027 6.482 -3.135 287 HA LYS 39 HA LYS 39 14.475 6.869 -0.341 288 HB2 LYS 39 1HB LYS 39 13.474 4.717 -0.045 289 HB3 LYS 39 2HB LYS 39 12.590 5.538 -1.325 290 HG2 LYS 39 1HG LYS 39 14.823 3.653 -1.969 291 HG3 LYS 39 2HG LYS 39 13.195 3.060 -1.630 292 HD2 LYS 39 1HD LYS 39 12.531 4.910 -3.393 293 HD3 LYS 39 2HD LYS 39 14.198 4.673 -3.924 294 HE2 LYS 39 1HE LYS 39 13.824 2.488 -4.560 295 HE3 LYS 39 2HE LYS 39 12.450 2.296 -3.471 296 HZ1 LYS 39 3HZ LYS 39 12.314 4.143 -5.769 297 HZ2 LYS 39 1HZ LYS 39 11.047 3.413 -4.917 298 HZ3 LYS 39 2HZ LYS 39 12.002 2.492 -5.966 299 HA PRO 40 HA PRO 40 18.519 5.223 0.143 300 HB2 PRO 40 1HB PRO 40 18.327 4.144 2.626 301 HB3 PRO 40 2HB PRO 40 18.387 5.887 2.339 302 HG2 PRO 40 1HG PRO 40 16.018 4.133 2.862 303 HG3 PRO 40 2HG PRO 40 16.388 5.739 3.518 304 HD2 PRO 40 1HD PRO 40 14.647 5.365 1.479 305 HD3 PRO 40 2HD PRO 40 15.651 6.822 1.622 306 H SER 41 H SER 41 15.937 3.002 1.194 307 HA SER 41 HA SER 41 17.487 0.789 0.014 308 HB2 SER 41 1HB SER 41 16.442 -0.701 1.669 309 HB3 SER 41 2HB SER 41 17.338 0.595 2.461 310 HG SER 41 HG SER 41 14.636 1.029 1.928 311 H GLY 42 H GLY 42 16.515 -0.444 -1.489 312 HA2 GLY 42 1HA GLY 42 13.597 -0.211 -1.812 313 HA3 GLY 42 2HA GLY 42 14.651 0.074 -3.188 314 HA PRO 43 HA PRO 43 13.709 -4.575 -2.321 315 HB2 PRO 43 1HB PRO 43 11.387 -4.918 -3.686 316 HB3 PRO 43 2HB PRO 43 11.440 -4.527 -1.963 317 HG2 PRO 43 1HG PRO 43 10.975 -2.718 -4.302 318 HG3 PRO 43 2HG PRO 43 10.139 -2.763 -2.739 319 HD2 PRO 43 1HD PRO 43 12.068 -0.950 -3.307 320 HD3 PRO 43 2HD PRO 43 11.808 -1.586 -1.670 321 H SER 44 H SER 44 14.795 -5.819 -3.705 322 HA SER 44 HA SER 44 15.397 -4.908 -6.352 323 HB2 SER 44 1HB SER 44 16.643 -7.092 -6.510 324 HB3 SER 44 2HB SER 44 17.120 -6.075 -5.150 325 HG SER 44 HG SER 44 16.744 -8.368 -4.683 326 H SER 45 H SER 45 13.729 -7.793 -5.084 327 HA SER 45 HA SER 45 12.968 -9.096 -7.303 328 HB2 SER 45 1HB SER 45 11.066 -9.926 -6.136 329 HB3 SER 45 2HB SER 45 12.278 -9.583 -4.901 330 HG SER 45 HG SER 45 11.182 -7.741 -4.346 331 H GLY 46 H GLY 46 11.943 -8.653 -9.139 332 HA2 GLY 46 1HA GLY 46 9.607 -7.508 -9.689 333 HA3 GLY 46 2HA GLY 46 10.597 -6.082 -9.415 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -1.874 -24.874 -13.518 2 HA2 GLY 1 1HA GLY 1 0.678 -23.417 -13.756 3 HA3 GLY 1 2HA GLY 1 -0.888 -22.672 -13.473 4 H SER 2 H SER 2 1.246 -22.004 -11.897 5 HA SER 2 HA SER 2 0.404 -23.104 -9.311 6 HB2 SER 2 1HB SER 2 2.633 -23.405 -8.537 7 HB3 SER 2 2HB SER 2 2.574 -24.163 -10.128 8 HG SER 2 HG SER 2 3.262 -21.789 -10.704 9 H SER 3 H SER 3 1.505 -21.718 -7.498 10 HA SER 3 HA SER 3 2.109 -19.003 -8.074 11 HB2 SER 3 1HB SER 3 0.116 -17.918 -7.267 12 HB3 SER 3 2HB SER 3 -0.361 -19.042 -8.539 13 HG SER 3 HG SER 3 -0.798 -20.551 -6.758 14 H GLY 4 H GLY 4 3.010 -17.998 -6.330 15 HA2 GLY 4 1HA GLY 4 2.720 -19.310 -3.708 16 HA3 GLY 4 2HA GLY 4 4.319 -18.979 -4.355 17 H SER 5 H SER 5 1.254 -17.337 -3.598 18 HA SER 5 HA SER 5 2.840 -15.076 -2.579 19 HB2 SER 5 1HB SER 5 1.080 -13.539 -3.433 20 HB3 SER 5 2HB SER 5 1.919 -14.398 -4.725 21 HG SER 5 HG SER 5 -0.648 -14.953 -3.657 22 H SER 6 H SER 6 1.807 -13.823 -0.918 23 HA SER 6 HA SER 6 0.580 -15.363 1.065 24 HB2 SER 6 1HB SER 6 0.679 -12.356 0.736 25 HB3 SER 6 2HB SER 6 0.157 -13.181 2.205 26 HG SER 6 HG SER 6 2.170 -13.727 2.636 27 H GLY 7 H GLY 7 -0.812 -13.029 -1.219 28 HA2 GLY 7 1HA GLY 7 -3.249 -14.373 -1.493 29 HA3 GLY 7 2HA GLY 7 -3.455 -13.154 -0.244 30 H THR 8 H THR 8 -4.535 -13.477 -3.045 31 HA THR 8 HA THR 8 -3.662 -10.864 -4.096 32 HB THR 8 HB THR 8 -4.343 -11.612 -6.320 33 HG1 THR 8 HG1 THR 8 -5.458 -13.401 -6.591 34 HG21 THR 8 3HG2 THR 8 -2.584 -13.235 -6.722 35 HG22 THR 8 1HG2 THR 8 -2.526 -13.635 -5.006 36 HG23 THR 8 2HG2 THR 8 -2.031 -12.034 -5.556 37 H GLY 9 H GLY 9 -5.112 -9.347 -3.620 38 HA2 GLY 9 1HA GLY 9 -7.966 -10.089 -3.602 39 HA3 GLY 9 2HA GLY 9 -7.272 -8.740 -2.716 40 H GLU 10 H GLU 10 -9.291 -7.862 -3.933 41 HA GLU 10 HA GLU 10 -8.327 -6.684 -6.454 42 HB2 GLU 10 1HB GLU 10 -11.014 -7.840 -5.790 43 HB3 GLU 10 2HB GLU 10 -10.876 -6.562 -6.990 44 HG2 GLU 10 1HG GLU 10 -10.742 -8.396 -8.330 45 HG3 GLU 10 2HG GLU 10 -9.032 -8.133 -7.991 46 H LYS 11 H LYS 11 -7.768 -4.679 -5.841 47 HA LYS 11 HA LYS 11 -9.676 -3.142 -4.209 48 HB2 LYS 11 1HB LYS 11 -6.748 -2.561 -4.682 49 HB3 LYS 11 2HB LYS 11 -7.819 -1.717 -3.571 50 HG2 LYS 11 1HG LYS 11 -7.486 -4.644 -3.220 51 HG3 LYS 11 2HG LYS 11 -6.149 -3.590 -2.755 52 HD2 LYS 11 1HD LYS 11 -7.296 -3.593 -0.788 53 HD3 LYS 11 2HD LYS 11 -8.125 -2.252 -1.582 54 HE2 LYS 11 1HE LYS 11 -9.904 -3.512 -0.844 55 HE3 LYS 11 2HE LYS 11 -9.695 -4.134 -2.480 56 HZ1 LYS 11 3HZ LYS 11 -8.317 -5.432 -0.225 57 HZ2 LYS 11 1HZ LYS 11 -8.781 -6.089 -1.714 58 HZ3 LYS 11 2HZ LYS 11 -9.945 -5.776 -0.528 59 HA PRO 12 HA PRO 12 -10.570 -0.513 -7.617 60 HB2 PRO 12 1HB PRO 12 -11.175 1.783 -6.302 61 HB3 PRO 12 2HB PRO 12 -12.243 0.375 -6.317 62 HG2 PRO 12 1HG PRO 12 -10.313 1.266 -4.210 63 HG3 PRO 12 2HG PRO 12 -11.965 0.648 -4.025 64 HD2 PRO 12 1HD PRO 12 -9.778 -0.895 -3.614 65 HD3 PRO 12 2HD PRO 12 -11.302 -1.549 -4.246 66 H TYR 13 H TYR 13 -7.871 -0.117 -5.665 67 HA TYR 13 HA TYR 13 -6.569 1.534 -7.637 68 HB2 TYR 13 1HB TYR 13 -6.835 2.546 -4.798 69 HB3 TYR 13 2HB TYR 13 -5.863 3.285 -6.066 70 HD1 TYR 13 HD2 TYR 13 -7.028 4.252 -8.080 71 HD2 TYR 13 HD1 TYR 13 -9.140 3.019 -4.598 72 HE1 TYR 13 HE2 TYR 13 -8.961 5.602 -8.782 73 HE2 TYR 13 HE1 TYR 13 -11.079 4.365 -5.291 74 HH TYR 13 HH TYR 13 -11.791 5.974 -6.712 75 H ILE 14 H ILE 14 -4.418 1.144 -7.725 76 HA ILE 14 HA ILE 14 -3.078 -0.110 -5.459 77 HB ILE 14 HB ILE 14 -3.175 -1.389 -8.193 78 HG12 ILE 14 1HG1 ILE 14 -3.996 -3.343 -6.658 79 HG13 ILE 14 2HG1 ILE 14 -4.392 -2.050 -5.531 80 HG21 ILE 14 1HG2 ILE 14 -1.377 -2.621 -7.686 81 HG22 ILE 14 2HG2 ILE 14 -1.041 -1.372 -6.488 82 HG23 ILE 14 3HG2 ILE 14 -1.885 -2.845 -6.012 83 HD11 ILE 14 3HD1 ILE 14 -6.359 -2.047 -6.584 84 HD12 ILE 14 1HD1 ILE 14 -5.509 -1.121 -7.821 85 HD13 ILE 14 2HD1 ILE 14 -5.713 -2.864 -8.008 86 H CYS 15 H CYS 15 -1.347 1.117 -5.151 87 HA CYS 15 HA CYS 15 -0.247 2.975 -6.826 88 HB2 CYS 15 1HB CYS 15 0.302 2.630 -4.398 89 HB3 CYS 15 2HB CYS 15 1.361 1.310 -4.883 90 H ALA 16 H ALA 16 0.309 2.630 -8.884 91 HA ALA 16 HA ALA 16 1.534 0.163 -9.741 92 HB1 ALA 16 3HB ALA 16 1.072 2.689 -11.322 93 HB2 ALA 16 1HB ALA 16 1.427 1.085 -11.964 94 HB3 ALA 16 2HB ALA 16 -0.103 1.386 -11.139 95 H GLU 17 H GLU 17 3.110 1.440 -7.821 96 HA GLU 17 HA GLU 17 5.478 2.120 -9.430 97 HB2 GLU 17 1HB GLU 17 4.459 3.495 -6.951 98 HB3 GLU 17 2HB GLU 17 6.135 3.621 -7.465 99 HG2 GLU 17 1HG GLU 17 4.950 5.538 -8.246 100 HG3 GLU 17 2HG GLU 17 5.357 4.528 -9.632 101 H CYS 18 H CYS 18 4.168 0.767 -6.462 102 HA CYS 18 HA CYS 18 6.668 -0.753 -6.134 103 HB2 CYS 18 1HB CYS 18 6.357 -0.643 -3.689 104 HB3 CYS 18 2HB CYS 18 6.572 0.955 -4.395 105 H GLY 19 H GLY 19 3.189 -0.624 -5.442 106 HA2 GLY 19 1HA GLY 19 1.976 -2.661 -6.262 107 HA3 GLY 19 2HA GLY 19 3.193 -3.579 -5.388 108 H LYS 20 H LYS 20 1.318 -0.693 -4.488 109 HA LYS 20 HA LYS 20 0.518 -2.092 -2.033 110 HB2 LYS 20 1HB LYS 20 0.754 0.825 -2.743 111 HB3 LYS 20 2HB LYS 20 -0.132 0.290 -1.320 112 HG2 LYS 20 1HG LYS 20 2.639 -0.708 -1.688 113 HG3 LYS 20 2HG LYS 20 2.414 0.975 -1.207 114 HD2 LYS 20 1HD LYS 20 1.346 0.384 0.788 115 HD3 LYS 20 2HD LYS 20 1.007 -1.255 0.226 116 HE2 LYS 20 1HE LYS 20 2.766 -1.671 1.625 117 HE3 LYS 20 2HE LYS 20 3.636 -1.396 0.117 118 HZ1 LYS 20 3HZ LYS 20 3.111 0.907 1.847 119 HZ2 LYS 20 1HZ LYS 20 4.426 0.601 0.827 120 HZ3 LYS 20 2HZ LYS 20 4.315 -0.182 2.322 121 H ALA 21 H ALA 21 -1.677 -0.850 -1.219 122 HA ALA 21 HA ALA 21 -3.610 -0.746 -3.400 123 HB1 ALA 21 3HB ALA 21 -4.286 -2.843 -3.076 124 HB2 ALA 21 1HB ALA 21 -3.328 -3.003 -1.603 125 HB3 ALA 21 2HB ALA 21 -4.943 -2.296 -1.534 126 H PHE 22 H PHE 22 -5.295 0.604 -3.007 127 HA PHE 22 HA PHE 22 -5.747 1.550 -0.276 128 HB2 PHE 22 1HB PHE 22 -5.170 3.341 -2.643 129 HB3 PHE 22 2HB PHE 22 -5.819 3.911 -1.109 130 HD1 PHE 22 HD2 PHE 22 -2.929 2.061 -2.543 131 HD2 PHE 22 HD1 PHE 22 -4.380 4.568 0.576 132 HE1 PHE 22 HE2 PHE 22 -0.641 2.289 -1.666 133 HE2 PHE 22 HE1 PHE 22 -2.094 4.801 1.457 134 HZ PHE 22 HZ PHE 22 -0.221 3.659 0.337 135 H THR 23 H THR 23 -7.799 2.570 0.039 136 HA THR 23 HA THR 23 -9.842 1.468 -1.693 137 HB THR 23 HB THR 23 -10.110 3.076 0.854 138 HG1 THR 23 HG1 THR 23 -10.256 0.275 0.336 139 HG21 THR 23 3HG2 THR 23 -12.043 2.836 -0.987 140 HG22 THR 23 1HG2 THR 23 -12.370 2.853 0.746 141 HG23 THR 23 2HG2 THR 23 -12.285 1.319 -0.121 142 H ILE 24 H ILE 24 -9.142 4.709 -0.370 143 HA ILE 24 HA ILE 24 -10.848 5.943 -2.357 144 HB ILE 24 HB ILE 24 -9.045 7.432 -0.470 145 HG12 ILE 24 1HG1 ILE 24 -11.845 6.543 0.214 146 HG13 ILE 24 2HG1 ILE 24 -10.425 5.621 0.695 147 HG21 ILE 24 1HG2 ILE 24 -11.370 8.798 -0.598 148 HG22 ILE 24 2HG2 ILE 24 -10.006 9.068 -1.682 149 HG23 ILE 24 3HG2 ILE 24 -11.349 8.046 -2.193 150 HD11 ILE 24 3HD1 ILE 24 -10.266 6.884 2.496 151 HD12 ILE 24 1HD1 ILE 24 -9.952 8.281 1.466 152 HD13 ILE 24 2HD1 ILE 24 -11.605 7.891 1.944 153 H ARG 25 H ARG 25 -10.126 7.582 -3.825 154 HA ARG 25 HA ARG 25 -7.807 6.858 -5.267 155 HB2 ARG 25 1HB ARG 25 -9.765 7.891 -6.329 156 HB3 ARG 25 2HB ARG 25 -9.466 9.379 -5.442 157 HG2 ARG 25 1HG ARG 25 -7.549 9.871 -6.679 158 HG3 ARG 25 2HG ARG 25 -7.404 8.218 -7.279 159 HD2 ARG 25 1HD ARG 25 -9.554 8.566 -8.509 160 HD3 ARG 25 2HD ARG 25 -9.487 10.262 -8.029 161 HE ARG 25 HE ARG 25 -7.906 8.963 -10.059 162 HH11 ARG 25 1HH1 ARG 25 -8.165 11.684 -7.904 163 HH12 ARG 25 2HH1 ARG 25 -7.129 12.699 -8.851 164 HH21 ARG 25 1HH2 ARG 25 -6.540 10.289 -11.315 165 HH22 ARG 25 2HH2 ARG 25 -6.205 11.905 -10.791 166 H SER 26 H SER 26 -8.500 9.470 -2.994 167 HA SER 26 HA SER 26 -6.043 10.841 -3.341 168 HB2 SER 26 1HB SER 26 -6.686 12.165 -1.487 169 HB3 SER 26 2HB SER 26 -8.201 11.723 -2.274 170 HG SER 26 HG SER 26 -7.576 11.337 0.222 171 H ASN 27 H ASN 27 -7.167 8.636 -0.775 172 HA ASN 27 HA ASN 27 -5.054 8.499 0.882 173 HB2 ASN 27 1HB ASN 27 -7.236 7.020 0.694 174 HB3 ASN 27 2HB ASN 27 -6.131 5.875 -0.060 175 HD21 ASN 27 1HD2 ASN 27 -6.742 4.566 1.809 176 HD22 ASN 27 2HD2 ASN 27 -5.865 4.770 3.284 177 H LEU 28 H LEU 28 -5.151 7.288 -2.391 178 HA LEU 28 HA LEU 28 -2.627 5.901 -2.169 179 HB2 LEU 28 1HB LEU 28 -4.242 4.979 -3.660 180 HB3 LEU 28 2HB LEU 28 -4.438 6.521 -4.491 181 HG LEU 28 HG LEU 28 -2.054 6.277 -5.271 182 HD11 LEU 28 1HD1 LEU 28 -0.885 4.731 -4.143 183 HD12 LEU 28 2HD1 LEU 28 -1.626 3.597 -5.272 184 HD13 LEU 28 3HD1 LEU 28 -2.328 3.834 -3.672 185 HD21 LEU 28 3HD2 LEU 28 -2.859 4.143 -6.738 186 HD22 LEU 28 1HD2 LEU 28 -3.355 5.808 -7.041 187 HD23 LEU 28 2HD2 LEU 28 -4.403 4.730 -6.118 188 H ILE 29 H ILE 29 -3.821 8.810 -3.830 189 HA ILE 29 HA ILE 29 -1.545 9.657 -5.094 190 HB ILE 29 HB ILE 29 -3.634 11.313 -3.685 191 HG12 ILE 29 1HG1 ILE 29 -3.187 10.502 -6.561 192 HG13 ILE 29 2HG1 ILE 29 -4.534 10.051 -5.522 193 HG21 ILE 29 1HG2 ILE 29 -1.288 12.153 -5.351 194 HG22 ILE 29 2HG2 ILE 29 -2.746 13.138 -5.252 195 HG23 ILE 29 3HG2 ILE 29 -1.823 12.781 -3.793 196 HD11 ILE 29 3HD1 ILE 29 -5.407 11.686 -6.919 197 HD12 ILE 29 1HD1 ILE 29 -5.045 12.555 -5.427 198 HD13 ILE 29 2HD1 ILE 29 -3.959 12.687 -6.811 199 H LYS 30 H LYS 30 -2.377 10.028 -1.683 200 HA LYS 30 HA LYS 30 -0.184 11.681 -0.993 201 HB2 LYS 30 1HB LYS 30 -2.345 11.209 0.332 202 HB3 LYS 30 2HB LYS 30 -1.520 9.765 0.904 203 HG2 LYS 30 1HG LYS 30 0.306 11.215 1.757 204 HG3 LYS 30 2HG LYS 30 -0.658 12.622 1.301 205 HD2 LYS 30 1HD LYS 30 -2.376 12.043 2.847 206 HD3 LYS 30 2HD LYS 30 -1.652 10.463 3.153 207 HE2 LYS 30 1HE LYS 30 0.028 11.339 4.461 208 HE3 LYS 30 2HE LYS 30 -0.056 12.924 3.693 209 HZ1 LYS 30 3HZ LYS 30 -1.101 13.442 5.604 210 HZ2 LYS 30 1HZ LYS 30 -1.597 11.854 5.913 211 HZ3 LYS 30 2HZ LYS 30 -2.456 12.809 4.813 212 H HIS 31 H HIS 31 -0.666 8.178 -0.963 213 HA HIS 31 HA HIS 31 1.728 7.467 0.308 214 HB2 HIS 31 1HB HIS 31 0.086 5.778 0.094 215 HB3 HIS 31 2HB HIS 31 -0.051 6.018 -1.645 216 HD1 HIS 31 HD1 HIS 31 1.720 4.051 0.886 217 HD2 HIS 31 HD2 HIS 31 2.218 4.996 -3.130 218 HE1 HIS 31 HE1 HIS 31 3.387 2.387 0.005 219 H GLN 32 H GLN 32 0.977 7.648 -3.171 220 HA GLN 32 HA GLN 32 3.307 6.896 -4.311 221 HB2 GLN 32 1HB GLN 32 1.374 9.067 -5.019 222 HB3 GLN 32 2HB GLN 32 2.845 8.883 -5.965 223 HG2 GLN 32 1HG GLN 32 2.149 6.424 -6.193 224 HG3 GLN 32 2HG GLN 32 0.564 6.973 -5.649 225 HE21 GLN 32 1HE2 GLN 32 -0.551 8.530 -6.928 226 HE22 GLN 32 2HE2 GLN 32 -0.235 8.660 -8.621 227 H LYS 33 H LYS 33 2.818 9.683 -2.334 228 HA LYS 33 HA LYS 33 4.819 11.406 -3.075 229 HB2 LYS 33 1HB LYS 33 3.923 10.640 -0.293 230 HB3 LYS 33 2HB LYS 33 4.975 12.006 -0.640 231 HG2 LYS 33 1HG LYS 33 2.313 11.768 -1.979 232 HG3 LYS 33 2HG LYS 33 2.444 12.403 -0.337 233 HD2 LYS 33 1HD LYS 33 4.220 13.500 -2.470 234 HD3 LYS 33 2HD LYS 33 2.532 14.014 -2.406 235 HE2 LYS 33 1HE LYS 33 4.108 14.050 0.115 236 HE3 LYS 33 2HE LYS 33 4.440 15.295 -1.088 237 HZ1 LYS 33 3HZ LYS 33 2.475 15.389 0.777 238 HZ2 LYS 33 1HZ LYS 33 1.637 14.904 -0.611 239 HZ3 LYS 33 2HZ LYS 33 2.540 16.334 -0.625 240 H ILE 34 H ILE 34 5.152 8.679 -0.803 241 HA ILE 34 HA ILE 34 7.800 8.864 -0.167 242 HB ILE 34 HB ILE 34 7.826 6.504 0.254 243 HG12 ILE 34 1HG1 ILE 34 5.222 6.190 -1.227 244 HG13 ILE 34 2HG1 ILE 34 6.772 5.981 -2.036 245 HG21 ILE 34 1HG2 ILE 34 5.593 8.177 1.017 246 HG22 ILE 34 2HG2 ILE 34 5.172 6.466 1.058 247 HG23 ILE 34 3HG2 ILE 34 6.547 7.058 1.990 248 HD11 ILE 34 3HD1 ILE 34 6.883 3.901 -1.311 249 HD12 ILE 34 1HD1 ILE 34 6.790 4.454 0.361 250 HD13 ILE 34 2HD1 ILE 34 5.312 4.099 -0.535 251 H HIS 35 H HIS 35 6.440 8.096 -3.240 252 HA HIS 35 HA HIS 35 8.934 7.017 -4.281 253 HB2 HIS 35 1HB HIS 35 6.281 7.539 -5.637 254 HB3 HIS 35 2HB HIS 35 7.666 6.759 -6.394 255 HD1 HIS 35 HD1 HIS 35 8.487 4.776 -4.244 256 HD2 HIS 35 HD2 HIS 35 4.534 5.493 -5.305 257 HE1 HIS 35 HE1 HIS 35 7.221 2.715 -3.555 258 H THR 36 H THR 36 6.972 9.925 -4.482 259 HA THR 36 HA THR 36 8.743 11.132 -6.444 260 HB THR 36 HB THR 36 7.244 13.025 -6.428 261 HG1 THR 36 HG1 THR 36 5.472 13.060 -4.954 262 HG21 THR 36 3HG2 THR 36 6.060 11.738 -7.822 263 HG22 THR 36 1HG2 THR 36 4.989 11.416 -6.460 264 HG23 THR 36 2HG2 THR 36 6.307 10.303 -6.828 265 H LYS 37 H LYS 37 10.067 10.468 -4.083 266 HA LYS 37 HA LYS 37 10.249 12.679 -2.297 267 HB2 LYS 37 1HB LYS 37 12.292 11.528 -1.469 268 HB3 LYS 37 2HB LYS 37 10.879 10.483 -1.529 269 HG2 LYS 37 1HG LYS 37 12.383 9.073 -2.456 270 HG3 LYS 37 2HG LYS 37 11.886 9.919 -3.924 271 HD2 LYS 37 1HD LYS 37 13.805 11.360 -3.810 272 HD3 LYS 37 2HD LYS 37 14.255 10.710 -2.232 273 HE2 LYS 37 1HE LYS 37 14.316 8.434 -3.501 274 HE3 LYS 37 2HE LYS 37 14.459 9.449 -4.935 275 HZ1 LYS 37 3HZ LYS 37 16.583 9.825 -4.485 276 HZ2 LYS 37 1HZ LYS 37 16.490 8.673 -3.249 277 HZ3 LYS 37 2HZ LYS 37 16.242 10.309 -2.900 278 H GLN 38 H GLN 38 11.787 14.295 -2.161 279 HA GLN 38 HA GLN 38 13.012 15.038 -4.677 280 HB2 GLN 38 1HB GLN 38 11.830 16.713 -3.302 281 HB3 GLN 38 2HB GLN 38 13.006 16.473 -2.016 282 HG2 GLN 38 1HG GLN 38 14.780 17.289 -3.474 283 HG3 GLN 38 2HG GLN 38 13.610 17.517 -4.773 284 HE21 GLN 38 1HE2 GLN 38 14.958 19.666 -4.233 285 HE22 GLN 38 2HE2 GLN 38 14.059 20.803 -3.293 286 H LYS 39 H LYS 39 15.016 14.526 -5.222 287 HA LYS 39 HA LYS 39 16.943 13.908 -3.079 288 HB2 LYS 39 1HB LYS 39 18.010 12.347 -4.541 289 HB3 LYS 39 2HB LYS 39 16.286 12.001 -4.574 290 HG2 LYS 39 1HG LYS 39 16.722 11.901 -6.797 291 HG3 LYS 39 2HG LYS 39 16.371 13.626 -6.661 292 HD2 LYS 39 1HD LYS 39 18.677 14.184 -6.656 293 HD3 LYS 39 2HD LYS 39 19.154 12.499 -6.431 294 HE2 LYS 39 1HE LYS 39 17.812 12.217 -8.703 295 HE3 LYS 39 2HE LYS 39 18.247 13.916 -8.880 296 HZ1 LYS 39 3HZ LYS 39 20.584 13.250 -8.473 297 HZ2 LYS 39 1HZ LYS 39 19.932 12.595 -9.890 298 HZ3 LYS 39 2HZ LYS 39 20.100 11.629 -8.513 299 HA PRO 40 HA PRO 40 19.469 17.235 -4.449 300 HB2 PRO 40 1HB PRO 40 21.909 16.317 -3.693 301 HB3 PRO 40 2HB PRO 40 20.703 16.901 -2.540 302 HG2 PRO 40 1HG PRO 40 21.379 14.089 -3.313 303 HG3 PRO 40 2HG PRO 40 21.062 14.761 -1.703 304 HD2 PRO 40 1HD PRO 40 19.199 13.376 -3.096 305 HD3 PRO 40 2HD PRO 40 18.776 14.697 -1.989 306 H SER 41 H SER 41 19.411 17.300 -6.666 307 HA SER 41 HA SER 41 20.366 15.408 -8.450 308 HB2 SER 41 1HB SER 41 20.146 18.411 -8.718 309 HB3 SER 41 2HB SER 41 20.562 17.350 -10.064 310 HG SER 41 HG SER 41 18.568 16.505 -10.039 311 H GLY 42 H GLY 42 22.316 14.874 -9.269 312 HA2 GLY 42 1HA GLY 42 24.578 16.330 -9.610 313 HA3 GLY 42 2HA GLY 42 24.660 15.874 -7.914 314 HA PRO 43 HA PRO 43 25.908 12.374 -10.998 315 HB2 PRO 43 1HB PRO 43 28.513 12.957 -11.489 316 HB3 PRO 43 2HB PRO 43 27.193 13.511 -12.526 317 HG2 PRO 43 1HG PRO 43 28.666 14.992 -10.382 318 HG3 PRO 43 2HG PRO 43 28.170 15.551 -11.990 319 HD2 PRO 43 1HD PRO 43 26.794 16.173 -9.742 320 HD3 PRO 43 2HD PRO 43 26.003 15.960 -11.318 321 H SER 44 H SER 44 27.847 14.049 -8.549 322 HA SER 44 HA SER 44 28.361 11.444 -7.284 323 HB2 SER 44 1HB SER 44 30.410 12.172 -8.445 324 HB3 SER 44 2HB SER 44 30.371 13.694 -7.555 325 HG SER 44 HG SER 44 31.749 11.930 -6.704 326 H SER 45 H SER 45 26.259 13.050 -6.565 327 HA SER 45 HA SER 45 26.875 14.883 -4.489 328 HB2 SER 45 1HB SER 45 24.734 14.950 -5.689 329 HB3 SER 45 2HB SER 45 24.307 13.371 -5.030 330 HG SER 45 HG SER 45 24.728 14.547 -2.908 331 H GLY 46 H GLY 46 25.452 11.609 -4.325 332 HA2 GLY 46 1HA GLY 46 26.721 11.326 -1.671 333 HA3 GLY 46 2HA GLY 46 25.085 10.767 -1.986 Start of MODEL 9 1 H1 GLY 1 H GLY 1 10.636 -18.708 -0.762 2 HA2 GLY 1 1HA GLY 1 9.323 -19.830 -2.371 3 HA3 GLY 1 2HA GLY 1 8.129 -18.918 -1.460 4 H SER 2 H SER 2 8.065 -19.782 -4.251 5 HA SER 2 HA SER 2 7.811 -17.130 -5.511 6 HB2 SER 2 1HB SER 2 8.341 -18.239 -7.685 7 HB3 SER 2 2HB SER 2 9.684 -18.273 -6.542 8 HG SER 2 HG SER 2 9.263 -20.409 -6.125 9 H SER 3 H SER 3 5.645 -16.858 -5.195 10 HA SER 3 HA SER 3 3.787 -18.986 -5.856 11 HB2 SER 3 1HB SER 3 3.468 -17.421 -3.895 12 HB3 SER 3 2HB SER 3 3.128 -16.144 -5.062 13 HG SER 3 HG SER 3 1.243 -17.260 -4.243 14 H GLY 4 H GLY 4 1.883 -18.475 -7.260 15 HA2 GLY 4 1HA GLY 4 2.843 -17.120 -9.689 16 HA3 GLY 4 2HA GLY 4 1.599 -18.360 -9.637 17 H SER 5 H SER 5 -0.009 -17.359 -7.594 18 HA SER 5 HA SER 5 -0.700 -14.625 -8.109 19 HB2 SER 5 1HB SER 5 -2.725 -14.899 -9.280 20 HB3 SER 5 2HB SER 5 -1.603 -15.979 -10.108 21 HG SER 5 HG SER 5 -2.579 -17.704 -9.217 22 H SER 6 H SER 6 -1.723 -13.801 -6.390 23 HA SER 6 HA SER 6 -2.973 -15.683 -4.497 24 HB2 SER 6 1HB SER 6 -0.966 -14.958 -3.449 25 HB3 SER 6 2HB SER 6 -1.218 -13.287 -3.954 26 HG SER 6 HG SER 6 -2.180 -13.041 -2.113 27 H GLY 7 H GLY 7 -4.907 -15.109 -3.587 28 HA2 GLY 7 1HA GLY 7 -6.086 -12.578 -4.561 29 HA3 GLY 7 2HA GLY 7 -6.998 -14.074 -4.426 30 H THR 8 H THR 8 -4.996 -11.936 -2.395 31 HA THR 8 HA THR 8 -6.327 -12.728 0.010 32 HB THR 8 HB THR 8 -5.048 -10.928 1.091 33 HG1 THR 8 HG1 THR 8 -3.867 -9.499 -0.100 34 HG21 THR 8 3HG2 THR 8 -4.023 -13.203 -0.152 35 HG22 THR 8 1HG2 THR 8 -3.265 -12.271 1.138 36 HG23 THR 8 2HG2 THR 8 -2.879 -11.920 -0.547 37 H GLY 9 H GLY 9 -6.435 -9.848 -2.067 38 HA2 GLY 9 1HA GLY 9 -9.172 -9.360 -1.494 39 HA3 GLY 9 2HA GLY 9 -8.154 -8.274 -0.559 40 H GLU 10 H GLU 10 -10.074 -7.838 -2.828 41 HA GLU 10 HA GLU 10 -8.252 -6.694 -4.823 42 HB2 GLU 10 1HB GLU 10 -10.405 -6.361 -6.134 43 HB3 GLU 10 2HB GLU 10 -9.895 -8.023 -5.877 44 HG2 GLU 10 1HG GLU 10 -11.502 -8.266 -4.078 45 HG3 GLU 10 2HG GLU 10 -11.984 -6.580 -4.260 46 H LYS 11 H LYS 11 -8.199 -4.534 -5.283 47 HA LYS 11 HA LYS 11 -9.919 -2.767 -3.679 48 HB2 LYS 11 1HB LYS 11 -6.949 -2.848 -3.842 49 HB3 LYS 11 2HB LYS 11 -7.713 -1.265 -3.772 50 HG2 LYS 11 1HG LYS 11 -7.285 -1.741 -1.551 51 HG3 LYS 11 2HG LYS 11 -8.977 -2.210 -1.735 52 HD2 LYS 11 1HD LYS 11 -8.432 -4.508 -1.811 53 HD3 LYS 11 2HD LYS 11 -6.715 -4.170 -2.042 54 HE2 LYS 11 1HE LYS 11 -6.834 -4.770 0.198 55 HE3 LYS 11 2HE LYS 11 -6.871 -3.008 0.258 56 HZ1 LYS 11 3HZ LYS 11 -9.431 -3.403 0.181 57 HZ2 LYS 11 1HZ LYS 11 -8.591 -3.538 1.643 58 HZ3 LYS 11 2HZ LYS 11 -9.024 -4.930 0.786 59 HA PRO 12 HA PRO 12 -10.701 -0.595 -7.415 60 HB2 PRO 12 1HB PRO 12 -11.107 1.918 -6.471 61 HB3 PRO 12 2HB PRO 12 -12.270 0.606 -6.242 62 HG2 PRO 12 1HG PRO 12 -10.221 1.674 -4.339 63 HG3 PRO 12 2HG PRO 12 -11.905 1.215 -4.028 64 HD2 PRO 12 1HD PRO 12 -9.818 -0.399 -3.417 65 HD3 PRO 12 2HD PRO 12 -11.403 -1.031 -3.909 66 H TYR 13 H TYR 13 -8.154 0.507 -5.293 67 HA TYR 13 HA TYR 13 -6.758 1.625 -7.627 68 HB2 TYR 13 1HB TYR 13 -6.844 2.841 -4.858 69 HB3 TYR 13 2HB TYR 13 -5.834 3.409 -6.183 70 HD1 TYR 13 HD2 TYR 13 -7.017 4.214 -8.309 71 HD2 TYR 13 HD1 TYR 13 -9.029 3.637 -4.604 72 HE1 TYR 13 HE2 TYR 13 -8.843 5.669 -9.081 73 HE2 TYR 13 HE1 TYR 13 -10.861 5.090 -5.366 74 HH TYR 13 HH TYR 13 -11.657 5.748 -8.133 75 H ILE 14 H ILE 14 -4.585 1.221 -7.745 76 HA ILE 14 HA ILE 14 -3.238 -0.049 -5.495 77 HB ILE 14 HB ILE 14 -3.408 -1.383 -8.200 78 HG12 ILE 14 1HG1 ILE 14 -4.425 -2.394 -5.541 79 HG13 ILE 14 2HG1 ILE 14 -5.444 -1.561 -6.710 80 HG21 ILE 14 1HG2 ILE 14 -2.227 -2.748 -5.859 81 HG22 ILE 14 2HG2 ILE 14 -1.789 -2.835 -7.564 82 HG23 ILE 14 3HG2 ILE 14 -1.275 -1.457 -6.591 83 HD11 ILE 14 3HD1 ILE 14 -5.832 -3.493 -7.701 84 HD12 ILE 14 1HD1 ILE 14 -4.119 -3.623 -8.096 85 HD13 ILE 14 2HD1 ILE 14 -4.731 -4.310 -6.591 86 H CYS 15 H CYS 15 -1.310 0.857 -5.283 87 HA CYS 15 HA CYS 15 -0.220 2.702 -7.064 88 HB2 CYS 15 1HB CYS 15 0.325 2.405 -4.601 89 HB3 CYS 15 2HB CYS 15 1.387 1.087 -5.084 90 H ALA 16 H ALA 16 0.921 2.524 -8.878 91 HA ALA 16 HA ALA 16 1.736 -0.141 -9.759 92 HB1 ALA 16 3HB ALA 16 1.508 2.462 -11.262 93 HB2 ALA 16 1HB ALA 16 2.015 0.930 -11.972 94 HB3 ALA 16 2HB ALA 16 0.386 1.103 -11.318 95 H GLU 17 H GLU 17 3.219 1.479 -7.734 96 HA GLU 17 HA GLU 17 5.793 1.664 -9.158 97 HB2 GLU 17 1HB GLU 17 4.793 3.222 -6.772 98 HB3 GLU 17 2HB GLU 17 6.468 3.234 -7.306 99 HG2 GLU 17 1HG GLU 17 5.182 5.181 -8.088 100 HG3 GLU 17 2HG GLU 17 5.854 4.220 -9.403 101 H CYS 18 H CYS 18 4.089 0.507 -6.330 102 HA CYS 18 HA CYS 18 6.429 -1.154 -5.672 103 HB2 CYS 18 1HB CYS 18 5.840 -0.955 -3.283 104 HB3 CYS 18 2HB CYS 18 6.253 0.602 -3.992 105 H GLY 19 H GLY 19 2.913 -0.785 -5.502 106 HA2 GLY 19 1HA GLY 19 1.576 -2.670 -6.314 107 HA3 GLY 19 2HA GLY 19 2.712 -3.732 -5.496 108 H LYS 20 H LYS 20 1.230 -0.761 -4.271 109 HA LYS 20 HA LYS 20 0.208 -2.295 -1.996 110 HB2 LYS 20 1HB LYS 20 1.651 -0.147 -1.805 111 HB3 LYS 20 2HB LYS 20 0.164 0.702 -2.211 112 HG2 LYS 20 1HG LYS 20 -0.925 -0.104 -0.259 113 HG3 LYS 20 2HG LYS 20 0.394 -1.224 0.087 114 HD2 LYS 20 1HD LYS 20 1.902 0.698 0.420 115 HD3 LYS 20 2HD LYS 20 0.545 1.791 0.137 116 HE2 LYS 20 1HE LYS 20 -0.575 0.398 2.051 117 HE3 LYS 20 2HE LYS 20 1.092 -0.006 2.457 118 HZ1 LYS 20 3HZ LYS 20 -0.317 2.522 2.708 119 HZ2 LYS 20 1HZ LYS 20 1.287 2.625 2.179 120 HZ3 LYS 20 2HZ LYS 20 0.930 1.877 3.653 121 H ALA 21 H ALA 21 -1.938 -2.237 -1.357 122 HA ALA 21 HA ALA 21 -3.818 -1.463 -3.468 123 HB1 ALA 21 3HB ALA 21 -4.616 -3.496 -3.026 124 HB2 ALA 21 1HB ALA 21 -3.694 -3.617 -1.527 125 HB3 ALA 21 2HB ALA 21 -5.263 -2.810 -1.535 126 H PHE 22 H PHE 22 -5.400 0.024 -3.181 127 HA PHE 22 HA PHE 22 -5.735 1.205 -0.514 128 HB2 PHE 22 1HB PHE 22 -5.084 2.643 -3.075 129 HB3 PHE 22 2HB PHE 22 -5.920 3.460 -1.758 130 HD1 PHE 22 HD1 PHE 22 -4.795 3.673 0.458 131 HD2 PHE 22 HD2 PHE 22 -2.761 2.273 -3.010 132 HE1 PHE 22 HE1 PHE 22 -2.635 4.140 1.540 133 HE2 PHE 22 HE2 PHE 22 -0.599 2.737 -1.933 134 HZ PHE 22 HZ PHE 22 -0.533 3.671 0.345 135 H THR 23 H THR 23 -7.735 2.404 -0.252 136 HA THR 23 HA THR 23 -9.865 1.301 -1.949 137 HB THR 23 HB THR 23 -9.953 0.807 0.500 138 HG1 THR 23 HG1 THR 23 -11.862 1.273 -1.064 139 HG21 THR 23 3HG2 THR 23 -10.021 2.404 2.101 140 HG22 THR 23 1HG2 THR 23 -10.957 3.515 1.102 141 HG23 THR 23 2HG2 THR 23 -9.213 3.379 0.874 142 H ILE 24 H ILE 24 -8.540 4.283 -0.668 143 HA ILE 24 HA ILE 24 -10.587 5.829 -2.095 144 HB ILE 24 HB ILE 24 -8.514 6.892 -0.179 145 HG12 ILE 24 1HG1 ILE 24 -11.383 6.107 0.379 146 HG13 ILE 24 2HG1 ILE 24 -9.957 5.249 0.953 147 HG21 ILE 24 1HG2 ILE 24 -10.537 8.085 -1.859 148 HG22 ILE 24 2HG2 ILE 24 -10.791 8.487 -0.162 149 HG23 ILE 24 3HG2 ILE 24 -9.248 8.852 -0.933 150 HD11 ILE 24 3HD1 ILE 24 -11.334 7.237 2.278 151 HD12 ILE 24 1HD1 ILE 24 -9.735 6.614 2.684 152 HD13 ILE 24 2HD1 ILE 24 -9.892 8.049 1.670 153 H ARG 25 H ARG 25 -10.045 7.393 -3.612 154 HA ARG 25 HA ARG 25 -7.793 6.837 -5.229 155 HB2 ARG 25 1HB ARG 25 -9.801 7.727 -6.224 156 HB3 ARG 25 2HB ARG 25 -9.715 9.167 -5.219 157 HG2 ARG 25 1HG ARG 25 -7.656 9.837 -6.356 158 HG3 ARG 25 2HG ARG 25 -7.754 8.396 -7.369 159 HD2 ARG 25 1HD ARG 25 -8.688 10.039 -8.714 160 HD3 ARG 25 2HD ARG 25 -10.101 9.273 -7.990 161 HE ARG 25 HE ARG 25 -10.549 11.223 -6.865 162 HH11 ARG 25 1HH1 ARG 25 -7.335 11.360 -8.197 163 HH12 ARG 25 2HH1 ARG 25 -7.115 13.040 -7.835 164 HH21 ARG 25 1HH2 ARG 25 -10.271 13.435 -6.383 165 HH22 ARG 25 2HH2 ARG 25 -8.786 14.219 -6.801 166 H SER 26 H SER 26 -8.413 9.177 -2.703 167 HA SER 26 HA SER 26 -6.093 10.771 -3.241 168 HB2 SER 26 1HB SER 26 -6.662 11.982 -1.256 169 HB3 SER 26 2HB SER 26 -8.180 11.579 -2.059 170 HG SER 26 HG SER 26 -7.014 10.296 0.185 171 H ASN 27 H ASN 27 -6.937 8.406 -0.716 172 HA ASN 27 HA ASN 27 -4.713 8.372 0.823 173 HB2 ASN 27 1HB ASN 27 -6.781 6.845 0.922 174 HB3 ASN 27 2HB ASN 27 -5.889 5.779 -0.159 175 HD21 ASN 27 1HD2 ASN 27 -6.745 5.070 2.409 176 HD22 ASN 27 2HD2 ASN 27 -5.350 4.798 3.391 177 H LEU 28 H LEU 28 -4.964 7.261 -2.469 178 HA LEU 28 HA LEU 28 -2.381 5.963 -2.445 179 HB2 LEU 28 1HB LEU 28 -3.925 4.954 -3.882 180 HB3 LEU 28 2HB LEU 28 -4.452 6.500 -4.544 181 HG LEU 28 HG LEU 28 -2.068 6.635 -5.529 182 HD11 LEU 28 1HD1 LEU 28 -1.849 4.209 -4.141 183 HD12 LEU 28 2HD1 LEU 28 -0.685 4.925 -5.255 184 HD13 LEU 28 3HD1 LEU 28 -1.897 3.793 -5.854 185 HD21 LEU 28 3HD2 LEU 28 -4.269 6.212 -6.722 186 HD22 LEU 28 1HD2 LEU 28 -3.849 4.499 -6.670 187 HD23 LEU 28 2HD2 LEU 28 -2.809 5.636 -7.528 188 H ILE 29 H ILE 29 -3.793 8.937 -3.749 189 HA ILE 29 HA ILE 29 -1.609 9.885 -5.178 190 HB ILE 29 HB ILE 29 -3.703 11.427 -3.647 191 HG12 ILE 29 1HG1 ILE 29 -3.418 10.853 -6.604 192 HG13 ILE 29 2HG1 ILE 29 -4.492 9.984 -5.513 193 HG21 ILE 29 1HG2 ILE 29 -1.682 12.782 -3.974 194 HG22 ILE 29 2HG2 ILE 29 -1.756 12.457 -5.705 195 HG23 ILE 29 3HG2 ILE 29 -3.040 13.381 -4.926 196 HD11 ILE 29 3HD1 ILE 29 -4.647 12.938 -6.052 197 HD12 ILE 29 1HD1 ILE 29 -5.620 11.715 -6.869 198 HD13 ILE 29 2HD1 ILE 29 -5.788 11.961 -5.130 199 H LYS 30 H LYS 30 -2.339 10.148 -1.733 200 HA LYS 30 HA LYS 30 -0.226 11.905 -1.074 201 HB2 LYS 30 1HB LYS 30 -2.053 11.638 0.459 202 HB3 LYS 30 2HB LYS 30 -1.771 9.906 0.580 203 HG2 LYS 30 1HG LYS 30 0.226 10.226 1.812 204 HG3 LYS 30 2HG LYS 30 0.237 11.958 1.471 205 HD2 LYS 30 1HD LYS 30 -2.096 10.756 2.897 206 HD3 LYS 30 2HD LYS 30 -0.602 11.066 3.785 207 HE2 LYS 30 1HE LYS 30 -0.720 13.374 3.397 208 HE3 LYS 30 2HE LYS 30 -1.891 13.183 2.092 209 HZ1 LYS 30 3HZ LYS 30 -3.607 12.817 3.572 210 HZ2 LYS 30 1HZ LYS 30 -2.696 13.992 4.379 211 HZ3 LYS 30 2HZ LYS 30 -2.580 12.369 4.839 212 H HIS 31 H HIS 31 -0.458 8.395 -1.264 213 HA HIS 31 HA HIS 31 1.954 7.718 -0.036 214 HB2 HIS 31 1HB HIS 31 0.382 5.988 -0.535 215 HB3 HIS 31 2HB HIS 31 0.409 6.372 -2.253 216 HD1 HIS 31 HD1 HIS 31 2.759 5.032 0.415 217 HD2 HIS 31 HD2 HIS 31 2.150 4.867 -3.692 218 HE1 HIS 31 HE1 HIS 31 4.427 3.359 -0.445 219 H GLN 32 H GLN 32 1.273 8.402 -3.457 220 HA GLN 32 HA GLN 32 3.610 7.895 -4.689 221 HB2 GLN 32 1HB GLN 32 1.980 10.422 -4.998 222 HB3 GLN 32 2HB GLN 32 3.194 9.865 -6.142 223 HG2 GLN 32 1HG GLN 32 0.994 8.008 -5.424 224 HG3 GLN 32 2HG GLN 32 0.628 9.372 -6.479 225 HE21 GLN 32 1HE2 GLN 32 1.617 6.223 -6.390 226 HE22 GLN 32 2HE2 GLN 32 2.333 6.107 -7.958 227 H LYS 33 H LYS 33 3.097 10.296 -2.247 228 HA LYS 33 HA LYS 33 5.248 12.006 -2.680 229 HB2 LYS 33 1HB LYS 33 3.842 11.119 -0.171 230 HB3 LYS 33 2HB LYS 33 5.174 12.266 -0.120 231 HG2 LYS 33 1HG LYS 33 3.796 13.585 -1.863 232 HG3 LYS 33 2HG LYS 33 2.450 12.588 -1.306 233 HD2 LYS 33 1HD LYS 33 2.250 14.380 0.111 234 HD3 LYS 33 2HD LYS 33 3.310 13.340 1.067 235 HE2 LYS 33 1HE LYS 33 5.249 14.580 0.015 236 HE3 LYS 33 2HE LYS 33 4.063 15.728 -0.603 237 HZ1 LYS 33 3HZ LYS 33 5.229 16.184 1.641 238 HZ2 LYS 33 1HZ LYS 33 4.110 15.080 2.267 239 HZ3 LYS 33 2HZ LYS 33 3.571 16.486 1.497 240 H ILE 34 H ILE 34 5.137 9.114 -0.596 241 HA ILE 34 HA ILE 34 7.839 9.139 0.135 242 HB ILE 34 HB ILE 34 7.555 6.918 0.916 243 HG12 ILE 34 1HG1 ILE 34 5.232 5.809 0.203 244 HG13 ILE 34 2HG1 ILE 34 5.506 6.779 -1.240 245 HG21 ILE 34 1HG2 ILE 34 6.317 7.947 2.471 246 HG22 ILE 34 2HG2 ILE 34 5.389 8.845 1.271 247 HG23 ILE 34 3HG2 ILE 34 4.942 7.187 1.670 248 HD11 ILE 34 3HD1 ILE 34 7.887 5.668 -1.119 249 HD12 ILE 34 1HD1 ILE 34 7.008 4.439 -0.209 250 HD13 ILE 34 2HD1 ILE 34 6.516 4.837 -1.855 251 H HIS 35 H HIS 35 6.369 8.383 -2.842 252 HA HIS 35 HA HIS 35 8.566 6.709 -3.762 253 HB2 HIS 35 1HB HIS 35 5.884 7.466 -4.812 254 HB3 HIS 35 2HB HIS 35 7.126 7.038 -5.985 255 HD1 HIS 35 HD1 HIS 35 8.481 4.716 -4.510 256 HD2 HIS 35 HD2 HIS 35 4.364 5.213 -4.774 257 HE1 HIS 35 HE1 HIS 35 7.504 2.425 -4.162 258 H THR 36 H THR 36 8.534 9.773 -3.138 259 HA THR 36 HA THR 36 9.752 10.637 -5.677 260 HB THR 36 HB THR 36 8.747 12.428 -3.461 261 HG1 THR 36 HG1 THR 36 7.169 11.052 -4.778 262 HG21 THR 36 3HG2 THR 36 9.464 13.016 -6.335 263 HG22 THR 36 1HG2 THR 36 10.465 13.400 -4.936 264 HG23 THR 36 2HG2 THR 36 8.898 14.184 -5.141 265 H LYS 37 H LYS 37 10.110 10.793 -2.149 266 HA LYS 37 HA LYS 37 12.865 11.711 -2.439 267 HB2 LYS 37 1HB LYS 37 11.593 11.100 0.201 268 HB3 LYS 37 2HB LYS 37 12.798 12.318 -0.198 269 HG2 LYS 37 1HG LYS 37 10.902 13.401 -1.580 270 HG3 LYS 37 2HG LYS 37 9.838 12.389 -0.600 271 HD2 LYS 37 1HD LYS 37 11.256 13.395 1.378 272 HD3 LYS 37 2HD LYS 37 11.565 14.681 0.208 273 HE2 LYS 37 1HE LYS 37 9.660 15.327 1.477 274 HE3 LYS 37 2HE LYS 37 9.083 14.847 -0.118 275 HZ1 LYS 37 3HZ LYS 37 8.600 12.624 0.882 276 HZ2 LYS 37 1HZ LYS 37 7.641 13.888 1.469 277 HZ3 LYS 37 2HZ LYS 37 8.921 13.294 2.401 278 H GLN 38 H GLN 38 14.407 10.247 -2.703 279 HA GLN 38 HA GLN 38 14.112 7.639 -1.364 280 HB2 GLN 38 1HB GLN 38 15.494 6.682 -3.139 281 HB3 GLN 38 2HB GLN 38 14.061 7.454 -3.806 282 HG2 GLN 38 1HG GLN 38 15.397 9.412 -4.405 283 HG3 GLN 38 2HG GLN 38 16.833 8.627 -3.748 284 HE21 GLN 38 1HE2 GLN 38 14.309 8.313 -6.188 285 HE22 GLN 38 2HE2 GLN 38 15.261 7.422 -7.320 286 H LYS 39 H LYS 39 15.165 9.852 -0.010 287 HA LYS 39 HA LYS 39 18.062 9.389 0.006 288 HB2 LYS 39 1HB LYS 39 17.810 11.674 -0.049 289 HB3 LYS 39 2HB LYS 39 16.302 11.638 0.856 290 HG2 LYS 39 1HG LYS 39 18.797 10.848 2.260 291 HG3 LYS 39 2HG LYS 39 18.533 12.558 1.910 292 HD2 LYS 39 1HD LYS 39 16.203 12.188 2.944 293 HD3 LYS 39 2HD LYS 39 16.893 10.705 3.607 294 HE2 LYS 39 1HE LYS 39 17.197 12.299 5.294 295 HE3 LYS 39 2HE LYS 39 18.769 12.190 4.503 296 HZ1 LYS 39 3HZ LYS 39 16.723 14.296 4.060 297 HZ2 LYS 39 1HZ LYS 39 18.182 14.173 3.212 298 HZ3 LYS 39 2HZ LYS 39 18.193 14.481 4.875 299 HA PRO 40 HA PRO 40 17.721 6.926 3.653 300 HB2 PRO 40 1HB PRO 40 20.313 7.065 4.448 301 HB3 PRO 40 2HB PRO 40 19.779 6.080 3.081 302 HG2 PRO 40 1HG PRO 40 21.041 8.795 3.082 303 HG3 PRO 40 2HG PRO 40 21.371 7.408 2.027 304 HD2 PRO 40 1HD PRO 40 19.828 9.493 1.251 305 HD3 PRO 40 2HD PRO 40 19.547 7.834 0.684 306 H SER 41 H SER 41 16.434 8.189 5.005 307 HA SER 41 HA SER 41 17.667 10.374 6.486 308 HB2 SER 41 1HB SER 41 14.834 9.310 6.589 309 HB3 SER 41 2HB SER 41 15.413 10.785 7.363 310 HG SER 41 HG SER 41 15.218 10.233 4.591 311 H GLY 42 H GLY 42 16.099 7.251 7.140 312 HA2 GLY 42 1HA GLY 42 17.634 7.115 9.647 313 HA3 GLY 42 2HA GLY 42 15.900 6.829 9.681 314 HA PRO 43 HA PRO 43 16.456 2.589 8.741 315 HB2 PRO 43 1HB PRO 43 14.469 2.068 6.965 316 HB3 PRO 43 2HB PRO 43 14.169 2.375 8.680 317 HG2 PRO 43 1HG PRO 43 13.926 4.240 6.351 318 HG3 PRO 43 2HG PRO 43 12.835 4.028 7.732 319 HD2 PRO 43 1HD PRO 43 14.615 6.062 7.582 320 HD3 PRO 43 2HD PRO 43 14.140 5.321 9.124 321 H SER 44 H SER 44 18.212 1.944 7.657 322 HA SER 44 HA SER 44 18.576 2.732 4.868 323 HB2 SER 44 1HB SER 44 20.857 1.735 5.164 324 HB3 SER 44 2HB SER 44 20.508 3.055 6.280 325 HG SER 44 HG SER 44 20.961 0.390 6.786 326 H SER 45 H SER 45 18.361 -0.183 6.866 327 HA SER 45 HA SER 45 18.093 -1.784 4.412 328 HB2 SER 45 1HB SER 45 18.769 -3.708 5.710 329 HB3 SER 45 2HB SER 45 19.932 -2.412 5.990 330 HG SER 45 HG SER 45 18.801 -3.720 7.835 331 H GLY 46 H GLY 46 16.747 -1.403 7.684 332 HA2 GLY 46 1HA GLY 46 14.324 -1.216 7.900 333 HA3 GLY 46 2HA GLY 46 14.184 -2.412 6.620 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -3.850 -24.690 -1.237 2 HA2 GLY 1 1HA GLY 1 -2.153 -23.939 0.455 3 HA3 GLY 1 2HA GLY 1 -1.487 -24.101 -1.163 4 H SER 2 H SER 2 -0.064 -22.510 -1.426 5 HA SER 2 HA SER 2 -0.733 -19.832 -0.425 6 HB2 SER 2 1HB SER 2 1.446 -20.914 0.252 7 HB3 SER 2 2HB SER 2 1.950 -20.798 -1.434 8 HG SER 2 HG SER 2 2.003 -18.912 0.467 9 H SER 3 H SER 3 -2.027 -18.999 -2.015 10 HA SER 3 HA SER 3 -0.804 -18.743 -4.685 11 HB2 SER 3 1HB SER 3 -2.866 -20.159 -4.641 12 HB3 SER 3 2HB SER 3 -3.766 -18.759 -4.058 13 HG SER 3 HG SER 3 -3.275 -17.695 -5.983 14 H GLY 4 H GLY 4 -3.309 -17.181 -2.671 15 HA2 GLY 4 1HA GLY 4 -1.961 -14.646 -2.791 16 HA3 GLY 4 2HA GLY 4 -3.381 -14.707 -3.825 17 H SER 5 H SER 5 -3.396 -12.857 -1.900 18 HA SER 5 HA SER 5 -5.353 -13.928 0.014 19 HB2 SER 5 1HB SER 5 -3.035 -13.503 1.029 20 HB3 SER 5 2HB SER 5 -3.370 -11.789 0.784 21 HG SER 5 HG SER 5 -4.937 -11.861 2.268 22 H SER 6 H SER 6 -4.021 -11.048 -1.560 23 HA SER 6 HA SER 6 -6.588 -9.678 -1.160 24 HB2 SER 6 1HB SER 6 -4.440 -8.551 -0.445 25 HB3 SER 6 2HB SER 6 -4.003 -8.462 -2.151 26 HG SER 6 HG SER 6 -5.553 -6.812 -0.768 27 H GLY 7 H GLY 7 -7.878 -10.435 -2.780 28 HA2 GLY 7 1HA GLY 7 -6.954 -9.861 -5.526 29 HA3 GLY 7 2HA GLY 7 -7.828 -11.337 -5.143 30 H THR 8 H THR 8 -9.982 -10.876 -3.943 31 HA THR 8 HA THR 8 -11.363 -8.767 -5.462 32 HB THR 8 HB THR 8 -13.441 -10.078 -5.019 33 HG1 THR 8 HG1 THR 8 -13.303 -11.629 -3.598 34 HG21 THR 8 3HG2 THR 8 -11.863 -10.337 -7.060 35 HG22 THR 8 1HG2 THR 8 -13.118 -11.547 -6.796 36 HG23 THR 8 2HG2 THR 8 -11.450 -11.891 -6.337 37 H GLY 9 H GLY 9 -11.714 -6.996 -4.291 38 HA2 GLY 9 1HA GLY 9 -13.179 -7.145 -1.829 39 HA3 GLY 9 2HA GLY 9 -11.509 -6.657 -1.581 40 H GLU 10 H GLU 10 -11.857 -4.571 -0.955 41 HA GLU 10 HA GLU 10 -13.262 -2.829 -2.869 42 HB2 GLU 10 1HB GLU 10 -13.560 -1.262 -0.991 43 HB3 GLU 10 2HB GLU 10 -14.292 -2.827 -0.667 44 HG2 GLU 10 1HG GLU 10 -12.700 -3.396 0.910 45 HG3 GLU 10 2HG GLU 10 -11.527 -2.236 0.290 46 H LYS 11 H LYS 11 -10.602 -3.629 -3.339 47 HA LYS 11 HA LYS 11 -9.116 -1.138 -2.818 48 HB2 LYS 11 1HB LYS 11 -8.122 -3.954 -3.260 49 HB3 LYS 11 2HB LYS 11 -7.068 -2.547 -3.277 50 HG2 LYS 11 1HG LYS 11 -6.843 -3.351 -1.121 51 HG3 LYS 11 2HG LYS 11 -8.036 -2.063 -0.941 52 HD2 LYS 11 1HD LYS 11 -9.832 -3.755 -1.062 53 HD3 LYS 11 2HD LYS 11 -8.604 -5.020 -1.151 54 HE2 LYS 11 1HE LYS 11 -7.906 -4.665 1.041 55 HE3 LYS 11 2HE LYS 11 -8.605 -3.048 1.103 56 HZ1 LYS 11 3HZ LYS 11 -10.047 -5.637 1.175 57 HZ2 LYS 11 1HZ LYS 11 -10.825 -4.150 0.959 58 HZ3 LYS 11 2HZ LYS 11 -9.976 -4.460 2.389 59 HA PRO 12 HA PRO 12 -10.012 -1.540 -7.410 60 HB2 PRO 12 1HB PRO 12 -11.217 0.878 -7.674 61 HB3 PRO 12 2HB PRO 12 -12.100 -0.594 -7.255 62 HG2 PRO 12 1HG PRO 12 -11.118 1.599 -5.470 63 HG3 PRO 12 2HG PRO 12 -12.676 0.752 -5.448 64 HD2 PRO 12 1HD PRO 12 -10.668 0.151 -3.735 65 HD3 PRO 12 2HD PRO 12 -11.814 -1.068 -4.328 66 H TYR 13 H TYR 13 -8.092 0.156 -5.337 67 HA TYR 13 HA TYR 13 -6.746 1.545 -7.557 68 HB2 TYR 13 1HB TYR 13 -7.108 2.525 -4.720 69 HB3 TYR 13 2HB TYR 13 -6.039 3.279 -5.898 70 HD1 TYR 13 HD2 TYR 13 -7.027 4.316 -7.956 71 HD2 TYR 13 HD1 TYR 13 -9.437 2.960 -4.722 72 HE1 TYR 13 HE2 TYR 13 -8.898 5.678 -8.787 73 HE2 TYR 13 HE1 TYR 13 -11.315 4.318 -5.545 74 HH TYR 13 HH TYR 13 -10.995 6.759 -7.743 75 H ILE 14 H ILE 14 -4.687 0.992 -7.841 76 HA ILE 14 HA ILE 14 -3.205 -0.173 -5.584 77 HB ILE 14 HB ILE 14 -3.214 -1.247 -8.407 78 HG12 ILE 14 1HG1 ILE 14 -3.946 -3.349 -7.005 79 HG13 ILE 14 2HG1 ILE 14 -4.467 -2.140 -5.837 80 HG21 ILE 14 1HG2 ILE 14 -1.133 -1.271 -6.598 81 HG22 ILE 14 2HG2 ILE 14 -1.899 -2.842 -6.365 82 HG23 ILE 14 3HG2 ILE 14 -1.334 -2.365 -7.966 83 HD11 ILE 14 3HD1 ILE 14 -5.939 -3.106 -7.939 84 HD12 ILE 14 1HD1 ILE 14 -6.272 -1.634 -7.028 85 HD13 ILE 14 2HD1 ILE 14 -5.360 -1.551 -8.535 86 H CYS 15 H CYS 15 -1.261 0.701 -5.279 87 HA CYS 15 HA CYS 15 -0.348 2.905 -6.731 88 HB2 CYS 15 1HB CYS 15 0.276 2.232 -4.360 89 HB3 CYS 15 2HB CYS 15 1.413 1.096 -5.077 90 H ALA 16 H ALA 16 0.298 2.903 -8.777 91 HA ALA 16 HA ALA 16 1.469 0.546 -9.981 92 HB1 ALA 16 3HB ALA 16 1.252 3.179 -11.378 93 HB2 ALA 16 1HB ALA 16 1.100 1.547 -12.029 94 HB3 ALA 16 2HB ALA 16 -0.198 2.230 -11.049 95 H GLU 17 H GLU 17 2.944 1.989 -7.867 96 HA GLU 17 HA GLU 17 5.338 2.729 -9.418 97 HB2 GLU 17 1HB GLU 17 4.178 3.853 -6.904 98 HB3 GLU 17 2HB GLU 17 5.921 3.892 -7.124 99 HG2 GLU 17 1HG GLU 17 4.091 4.940 -9.242 100 HG3 GLU 17 2HG GLU 17 4.523 5.926 -7.846 101 H CYS 18 H CYS 18 4.193 1.213 -6.422 102 HA CYS 18 HA CYS 18 6.657 -0.405 -6.405 103 HB2 CYS 18 1HB CYS 18 6.502 -0.483 -3.953 104 HB3 CYS 18 2HB CYS 18 6.662 1.171 -4.533 105 H GLY 19 H GLY 19 3.244 -0.312 -5.407 106 HA2 GLY 19 1HA GLY 19 1.952 -2.266 -6.357 107 HA3 GLY 19 2HA GLY 19 3.203 -3.258 -5.622 108 H LYS 20 H LYS 20 0.822 -0.751 -4.778 109 HA LYS 20 HA LYS 20 0.288 -2.245 -2.298 110 HB2 LYS 20 1HB LYS 20 0.892 0.643 -2.681 111 HB3 LYS 20 2HB LYS 20 -0.338 0.227 -1.494 112 HG2 LYS 20 1HG LYS 20 1.386 -1.379 -0.521 113 HG3 LYS 20 2HG LYS 20 2.564 -0.524 -1.520 114 HD2 LYS 20 1HD LYS 20 2.648 0.533 0.583 115 HD3 LYS 20 2HD LYS 20 1.697 1.611 -0.441 116 HE2 LYS 20 1HE LYS 20 0.438 1.540 1.496 117 HE3 LYS 20 2HE LYS 20 -0.333 0.302 0.506 118 HZ1 LYS 20 3HZ LYS 20 1.664 -0.177 2.651 119 HZ2 LYS 20 1HZ LYS 20 0.969 -1.376 1.680 120 HZ3 LYS 20 2HZ LYS 20 0.005 -0.489 2.749 121 H ALA 21 H ALA 21 -1.839 -1.008 -1.303 122 HA ALA 21 HA ALA 21 -3.801 -0.632 -3.437 123 HB1 ALA 21 3HB ALA 21 -4.401 -2.793 -3.221 124 HB2 ALA 21 1HB ALA 21 -3.683 -2.944 -1.616 125 HB3 ALA 21 2HB ALA 21 -5.270 -2.197 -1.807 126 H PHE 22 H PHE 22 -5.652 0.516 -2.814 127 HA PHE 22 HA PHE 22 -5.906 1.405 -0.063 128 HB2 PHE 22 1HB PHE 22 -5.335 3.317 -2.333 129 HB3 PHE 22 2HB PHE 22 -5.941 3.816 -0.757 130 HD1 PHE 22 HD2 PHE 22 -3.094 2.188 -2.469 131 HD2 PHE 22 HD1 PHE 22 -4.488 4.129 1.054 132 HE1 PHE 22 HE2 PHE 22 -0.786 2.307 -1.625 133 HE2 PHE 22 HE1 PHE 22 -2.181 4.252 1.902 134 HZ PHE 22 HZ PHE 22 -0.327 3.339 0.563 135 H THR 23 H THR 23 -7.880 2.715 0.267 136 HA THR 23 HA THR 23 -10.039 1.640 -1.349 137 HB THR 23 HB THR 23 -10.249 3.426 1.079 138 HG1 THR 23 HG1 THR 23 -9.123 1.396 1.459 139 HG21 THR 23 3HG2 THR 23 -12.210 1.608 -0.320 140 HG22 THR 23 1HG2 THR 23 -12.303 3.362 -0.166 141 HG23 THR 23 2HG2 THR 23 -12.493 2.340 1.259 142 H ILE 24 H ILE 24 -8.982 4.863 -0.252 143 HA ILE 24 HA ILE 24 -10.707 6.120 -2.235 144 HB ILE 24 HB ILE 24 -8.838 7.576 -0.385 145 HG12 ILE 24 1HG1 ILE 24 -11.679 6.787 0.275 146 HG13 ILE 24 2HG1 ILE 24 -10.269 5.918 0.871 147 HG21 ILE 24 1HG2 ILE 24 -10.283 9.415 -0.692 148 HG22 ILE 24 2HG2 ILE 24 -10.044 8.720 -2.294 149 HG23 ILE 24 3HG2 ILE 24 -11.538 8.407 -1.412 150 HD11 ILE 24 3HD1 ILE 24 -9.780 8.580 1.496 151 HD12 ILE 24 1HD1 ILE 24 -11.490 8.332 1.847 152 HD13 ILE 24 2HD1 ILE 24 -10.275 7.297 2.600 153 H ARG 25 H ARG 25 -9.956 7.509 -3.861 154 HA ARG 25 HA ARG 25 -7.611 6.680 -5.183 155 HB2 ARG 25 1HB ARG 25 -9.519 7.611 -6.388 156 HB3 ARG 25 2HB ARG 25 -9.289 9.161 -5.591 157 HG2 ARG 25 1HG ARG 25 -6.945 9.113 -6.659 158 HG3 ARG 25 2HG ARG 25 -7.622 7.865 -7.708 159 HD2 ARG 25 1HD ARG 25 -9.164 9.327 -8.657 160 HD3 ARG 25 2HD ARG 25 -9.042 10.472 -7.322 161 HE ARG 25 HE ARG 25 -7.269 11.457 -8.380 162 HH11 ARG 25 1HH1 ARG 25 -7.829 8.320 -9.782 163 HH12 ARG 25 2HH1 ARG 25 -6.688 8.546 -11.066 164 HH21 ARG 25 1HH2 ARG 25 -5.765 11.766 -10.066 165 HH22 ARG 25 2HH2 ARG 25 -5.514 10.506 -11.227 166 H SER 26 H SER 26 -8.338 9.522 -3.204 167 HA SER 26 HA SER 26 -5.866 10.831 -3.609 168 HB2 SER 26 1HB SER 26 -6.489 12.165 -1.621 169 HB3 SER 26 2HB SER 26 -7.824 12.026 -2.764 170 HG SER 26 HG SER 26 -8.267 10.046 -1.280 171 H ASN 27 H ASN 27 -6.984 8.488 -1.225 172 HA ASN 27 HA ASN 27 -4.908 8.603 0.604 173 HB2 ASN 27 1HB ASN 27 -6.645 6.323 -0.323 174 HB3 ASN 27 2HB ASN 27 -5.425 6.100 0.927 175 HD21 ASN 27 1HD2 ASN 27 -7.020 5.597 2.441 176 HD22 ASN 27 2HD2 ASN 27 -8.028 6.815 3.139 177 H LEU 28 H LEU 28 -5.071 6.926 -2.494 178 HA LEU 28 HA LEU 28 -2.559 5.597 -2.184 179 HB2 LEU 28 1HB LEU 28 -4.052 4.551 -3.645 180 HB3 LEU 28 2HB LEU 28 -4.429 6.057 -4.479 181 HG LEU 28 HG LEU 28 -2.037 5.988 -5.351 182 HD11 LEU 28 1HD1 LEU 28 -1.747 3.181 -5.326 183 HD12 LEU 28 2HD1 LEU 28 -1.987 3.698 -3.658 184 HD13 LEU 28 3HD1 LEU 28 -0.684 4.397 -4.618 185 HD21 LEU 28 3HD2 LEU 28 -4.224 4.104 -6.133 186 HD22 LEU 28 1HD2 LEU 28 -2.689 4.099 -7.003 187 HD23 LEU 28 2HD2 LEU 28 -3.664 5.568 -6.942 188 H ILE 29 H ILE 29 -3.648 8.462 -3.978 189 HA ILE 29 HA ILE 29 -1.239 9.114 -5.212 190 HB ILE 29 HB ILE 29 -3.355 11.016 -4.197 191 HG12 ILE 29 1HG1 ILE 29 -3.099 10.168 -7.050 192 HG13 ILE 29 2HG1 ILE 29 -3.858 9.060 -5.912 193 HG21 ILE 29 1HG2 ILE 29 -1.193 12.092 -4.716 194 HG22 ILE 29 2HG2 ILE 29 -1.282 11.428 -6.347 195 HG23 ILE 29 3HG2 ILE 29 -2.486 12.597 -5.803 196 HD11 ILE 29 3HD1 ILE 29 -5.256 10.811 -7.285 197 HD12 ILE 29 1HD1 ILE 29 -5.682 10.386 -5.628 198 HD13 ILE 29 2HD1 ILE 29 -4.793 11.874 -5.956 199 H LYS 30 H LYS 30 -2.430 9.903 -1.983 200 HA LYS 30 HA LYS 30 -0.351 11.678 -1.274 201 HB2 LYS 30 1HB LYS 30 -2.373 10.079 0.249 202 HB3 LYS 30 2HB LYS 30 -1.065 10.866 1.123 203 HG2 LYS 30 1HG LYS 30 -1.783 13.003 0.506 204 HG3 LYS 30 2HG LYS 30 -2.807 12.381 -0.790 205 HD2 LYS 30 1HD LYS 30 -4.301 11.378 0.852 206 HD3 LYS 30 2HD LYS 30 -3.260 11.940 2.162 207 HE2 LYS 30 1HE LYS 30 -3.717 14.241 1.589 208 HE3 LYS 30 2HE LYS 30 -4.648 13.739 0.179 209 HZ1 LYS 30 3HZ LYS 30 -6.446 13.421 1.422 210 HZ2 LYS 30 1HZ LYS 30 -5.638 14.221 2.675 211 HZ3 LYS 30 2HZ LYS 30 -5.600 12.532 2.587 212 H HIS 31 H HIS 31 -0.635 8.194 -1.211 213 HA HIS 31 HA HIS 31 1.628 7.714 0.450 214 HB2 HIS 31 1HB HIS 31 0.256 5.867 0.403 215 HB3 HIS 31 2HB HIS 31 -0.125 6.060 -1.305 216 HD1 HIS 31 HD1 HIS 31 2.372 4.524 1.006 217 HD2 HIS 31 HD2 HIS 31 1.657 4.814 -3.076 218 HE1 HIS 31 HE1 HIS 31 3.904 2.843 -0.065 219 H GLN 32 H GLN 32 1.125 7.702 -3.064 220 HA GLN 32 HA GLN 32 3.561 6.843 -3.956 221 HB2 GLN 32 1HB GLN 32 1.657 8.902 -5.022 222 HB3 GLN 32 2HB GLN 32 3.176 8.589 -5.851 223 HG2 GLN 32 1HG GLN 32 2.577 6.285 -6.187 224 HG3 GLN 32 2HG GLN 32 1.113 6.491 -5.227 225 HE21 GLN 32 1HE2 GLN 32 -0.574 6.401 -6.518 226 HE22 GLN 32 2HE2 GLN 32 -0.731 7.191 -8.047 227 H LYS 33 H LYS 33 2.890 9.700 -2.194 228 HA LYS 33 HA LYS 33 4.898 11.433 -3.002 229 HB2 LYS 33 1HB LYS 33 3.595 10.956 -0.333 230 HB3 LYS 33 2HB LYS 33 4.844 12.178 -0.532 231 HG2 LYS 33 1HG LYS 33 3.378 13.070 -2.444 232 HG3 LYS 33 2HG LYS 33 2.103 12.079 -1.731 233 HD2 LYS 33 1HD LYS 33 2.816 13.271 0.483 234 HD3 LYS 33 2HD LYS 33 3.499 14.474 -0.614 235 HE2 LYS 33 1HE LYS 33 0.653 13.513 -0.801 236 HE3 LYS 33 2HE LYS 33 1.133 14.895 0.183 237 HZ1 LYS 33 3HZ LYS 33 1.988 15.971 -1.800 238 HZ2 LYS 33 1HZ LYS 33 0.355 15.579 -2.002 239 HZ3 LYS 33 2HZ LYS 33 1.548 14.640 -2.748 240 H ILE 34 H ILE 34 5.067 8.606 -0.929 241 HA ILE 34 HA ILE 34 7.664 9.045 0.092 242 HB ILE 34 HB ILE 34 7.544 6.951 1.021 243 HG12 ILE 34 1HG1 ILE 34 7.595 5.703 -1.085 244 HG13 ILE 34 2HG1 ILE 34 6.394 5.023 0.007 245 HG21 ILE 34 1HG2 ILE 34 4.671 6.773 0.591 246 HG22 ILE 34 2HG2 ILE 34 5.580 7.050 2.076 247 HG23 ILE 34 3HG2 ILE 34 5.208 8.401 1.005 248 HD11 ILE 34 3HD1 ILE 34 5.868 5.399 -2.527 249 HD12 ILE 34 1HD1 ILE 34 4.640 5.683 -1.294 250 HD13 ILE 34 2HD1 ILE 34 5.523 7.043 -1.989 251 H HIS 35 H HIS 35 6.602 8.271 -3.018 252 HA HIS 35 HA HIS 35 9.042 6.870 -3.773 253 HB2 HIS 35 1HB HIS 35 6.564 7.617 -5.333 254 HB3 HIS 35 2HB HIS 35 7.954 6.800 -6.042 255 HD1 HIS 35 HD1 HIS 35 8.486 4.787 -3.722 256 HD2 HIS 35 HD2 HIS 35 4.767 5.554 -5.408 257 HE1 HIS 35 HE1 HIS 35 7.101 2.742 -3.253 258 H THR 36 H THR 36 7.480 9.985 -4.186 259 HA THR 36 HA THR 36 8.800 11.182 -6.214 260 HB THR 36 HB THR 36 7.157 12.250 -4.577 261 HG1 THR 36 HG1 THR 36 9.386 13.896 -5.199 262 HG21 THR 36 3HG2 THR 36 9.476 13.417 -3.149 263 HG22 THR 36 1HG2 THR 36 8.996 11.784 -2.689 264 HG23 THR 36 2HG2 THR 36 7.835 13.107 -2.582 265 H LYS 37 H LYS 37 10.794 11.978 -6.669 266 HA LYS 37 HA LYS 37 12.890 11.566 -4.638 267 HB2 LYS 37 1HB LYS 37 13.092 11.264 -7.640 268 HB3 LYS 37 2HB LYS 37 14.446 11.142 -6.524 269 HG2 LYS 37 1HG LYS 37 13.257 9.241 -5.420 270 HG3 LYS 37 2HG LYS 37 12.073 9.306 -6.728 271 HD2 LYS 37 1HD LYS 37 13.516 7.716 -7.541 272 HD3 LYS 37 2HD LYS 37 14.215 9.177 -8.243 273 HE2 LYS 37 1HE LYS 37 15.674 9.254 -6.136 274 HE3 LYS 37 2HE LYS 37 15.162 7.587 -5.879 275 HZ1 LYS 37 3HZ LYS 37 16.374 6.847 -7.621 276 HZ2 LYS 37 1HZ LYS 37 17.311 8.210 -7.265 277 HZ3 LYS 37 2HZ LYS 37 16.183 8.264 -8.525 278 H GLN 38 H GLN 38 14.189 13.242 -4.171 279 HA GLN 38 HA GLN 38 14.323 15.517 -5.999 280 HB2 GLN 38 1HB GLN 38 13.783 17.131 -4.301 281 HB3 GLN 38 2HB GLN 38 12.476 15.958 -4.386 282 HG2 GLN 38 1HG GLN 38 13.481 14.793 -2.432 283 HG3 GLN 38 2HG GLN 38 14.645 16.111 -2.309 284 HE21 GLN 38 1HE2 GLN 38 11.152 15.539 -2.491 285 HE22 GLN 38 2HE2 GLN 38 10.715 16.784 -1.375 286 H LYS 39 H LYS 39 15.959 17.165 -5.164 287 HA LYS 39 HA LYS 39 18.457 15.995 -4.938 288 HB2 LYS 39 1HB LYS 39 18.262 18.267 -5.674 289 HB3 LYS 39 2HB LYS 39 17.517 18.756 -4.157 290 HG2 LYS 39 1HG LYS 39 19.694 18.082 -3.042 291 HG3 LYS 39 2HG LYS 39 20.376 18.001 -4.668 292 HD2 LYS 39 1HD LYS 39 20.894 20.164 -4.069 293 HD3 LYS 39 2HD LYS 39 19.353 20.397 -4.898 294 HE2 LYS 39 1HE LYS 39 18.306 20.128 -2.559 295 HE3 LYS 39 2HE LYS 39 19.937 20.422 -1.957 296 HZ1 LYS 39 3HZ LYS 39 19.029 22.310 -3.946 297 HZ2 LYS 39 1HZ LYS 39 19.823 22.582 -2.477 298 HZ3 LYS 39 2HZ LYS 39 18.148 22.344 -2.502 299 HA PRO 40 HA PRO 40 18.726 14.701 -0.730 300 HB2 PRO 40 1HB PRO 40 21.428 14.509 -0.550 301 HB3 PRO 40 2HB PRO 40 20.438 13.335 -1.425 302 HG2 PRO 40 1HG PRO 40 22.023 15.641 -2.487 303 HG3 PRO 40 2HG PRO 40 21.883 13.992 -3.124 304 HD2 PRO 40 1HD PRO 40 20.500 16.076 -4.160 305 HD3 PRO 40 2HD PRO 40 19.858 14.421 -4.138 306 H SER 41 H SER 41 17.968 16.610 0.288 307 HA SER 41 HA SER 41 20.122 18.346 1.299 308 HB2 SER 41 1HB SER 41 18.482 20.214 1.339 309 HB3 SER 41 2HB SER 41 18.800 19.627 -0.293 310 HG SER 41 HG SER 41 16.848 18.258 0.126 311 H GLY 42 H GLY 42 16.993 16.837 1.894 312 HA2 GLY 42 1HA GLY 42 16.687 17.729 4.566 313 HA3 GLY 42 2HA GLY 42 15.876 16.349 3.841 314 HA PRO 43 HA PRO 43 18.647 14.691 7.126 315 HB2 PRO 43 1HB PRO 43 16.871 12.826 7.984 316 HB3 PRO 43 2HB PRO 43 16.866 14.495 8.564 317 HG2 PRO 43 1HG PRO 43 15.150 13.211 6.475 318 HG3 PRO 43 2HG PRO 43 14.689 14.338 7.764 319 HD2 PRO 43 1HD PRO 43 15.055 15.128 5.200 320 HD3 PRO 43 2HD PRO 43 15.412 16.181 6.584 321 H SER 44 H SER 44 17.515 13.710 4.182 322 HA SER 44 HA SER 44 17.597 11.067 3.848 323 HB2 SER 44 1HB SER 44 17.532 12.657 1.970 324 HB3 SER 44 2HB SER 44 19.247 12.999 2.199 325 HG SER 44 HG SER 44 19.746 10.964 1.532 326 H SER 45 H SER 45 18.832 9.435 4.474 327 HA SER 45 HA SER 45 20.630 8.198 5.122 328 HB2 SER 45 1HB SER 45 21.652 9.063 3.026 329 HB3 SER 45 2HB SER 45 22.295 10.431 3.935 330 HG SER 45 HG SER 45 23.721 9.150 4.896 331 H GLY 46 H GLY 46 19.416 9.967 6.962 332 HA2 GLY 46 1HA GLY 46 20.929 9.802 9.190 333 HA3 GLY 46 2HA GLY 46 21.511 11.289 8.457 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -1.798 -25.330 -19.275 2 HA2 GLY 1 1HA GLY 1 -3.704 -24.871 -17.525 3 HA3 GLY 1 2HA GLY 1 -3.068 -26.362 -16.847 4 H SER 2 H SER 2 -3.006 -23.159 -16.451 5 HA SER 2 HA SER 2 -0.447 -23.262 -15.058 6 HB2 SER 2 1HB SER 2 -1.085 -21.418 -17.333 7 HB3 SER 2 2HB SER 2 -0.044 -20.853 -16.026 8 HG SER 2 HG SER 2 1.476 -21.864 -17.054 9 H SER 3 H SER 3 -0.466 -22.174 -13.171 10 HA SER 3 HA SER 3 -2.391 -20.061 -12.684 11 HB2 SER 3 1HB SER 3 -3.501 -22.339 -12.196 12 HB3 SER 3 2HB SER 3 -2.419 -22.416 -10.805 13 HG SER 3 HG SER 3 -3.553 -20.920 -9.832 14 H GLY 4 H GLY 4 -2.145 -19.233 -10.366 15 HA2 GLY 4 1HA GLY 4 -0.762 -18.908 -8.455 16 HA3 GLY 4 2HA GLY 4 0.561 -19.678 -9.318 17 H SER 5 H SER 5 -1.544 -17.082 -10.472 18 HA SER 5 HA SER 5 0.839 -15.355 -10.637 19 HB2 SER 5 1HB SER 5 -0.352 -16.202 -12.800 20 HB3 SER 5 2HB SER 5 -1.565 -14.986 -12.399 21 HG SER 5 HG SER 5 0.362 -13.529 -12.238 22 H SER 6 H SER 6 0.536 -13.091 -10.313 23 HA SER 6 HA SER 6 -1.059 -12.446 -8.102 24 HB2 SER 6 1HB SER 6 -0.380 -10.127 -8.505 25 HB3 SER 6 2HB SER 6 0.993 -11.215 -8.710 26 HG SER 6 HG SER 6 0.177 -9.457 -10.419 27 H GLY 7 H GLY 7 -3.217 -12.885 -8.399 28 HA2 GLY 7 1HA GLY 7 -4.715 -10.886 -9.846 29 HA3 GLY 7 2HA GLY 7 -4.854 -12.501 -10.525 30 H THR 8 H THR 8 -5.173 -10.748 -7.448 31 HA THR 8 HA THR 8 -7.720 -12.005 -6.955 32 HB THR 8 HB THR 8 -5.433 -12.548 -5.050 33 HG1 THR 8 HG1 THR 8 -5.220 -14.093 -6.544 34 HG21 THR 8 3HG2 THR 8 -7.087 -13.880 -3.811 35 HG22 THR 8 1HG2 THR 8 -8.345 -13.345 -4.924 36 HG23 THR 8 2HG2 THR 8 -7.539 -12.177 -3.876 37 H GLY 9 H GLY 9 -8.967 -10.442 -6.175 38 HA2 GLY 9 1HA GLY 9 -9.163 -9.040 -4.051 39 HA3 GLY 9 2HA GLY 9 -7.691 -8.276 -4.632 40 H GLU 10 H GLU 10 -8.039 -7.761 -7.188 41 HA GLU 10 HA GLU 10 -9.014 -6.351 -8.684 42 HB2 GLU 10 1HB GLU 10 -10.862 -8.065 -8.483 43 HB3 GLU 10 2HB GLU 10 -11.629 -6.992 -7.321 44 HG2 GLU 10 1HG GLU 10 -12.110 -5.389 -8.919 45 HG3 GLU 10 2HG GLU 10 -10.887 -5.992 -10.036 46 H LYS 11 H LYS 11 -7.900 -5.200 -6.426 47 HA LYS 11 HA LYS 11 -9.567 -3.388 -5.067 48 HB2 LYS 11 1HB LYS 11 -7.167 -4.083 -4.507 49 HB3 LYS 11 2HB LYS 11 -6.662 -2.889 -5.696 50 HG2 LYS 11 1HG LYS 11 -6.535 -1.846 -3.581 51 HG3 LYS 11 2HG LYS 11 -7.962 -1.185 -4.384 52 HD2 LYS 11 1HD LYS 11 -9.304 -2.936 -3.139 53 HD3 LYS 11 2HD LYS 11 -7.849 -3.240 -2.187 54 HE2 LYS 11 1HE LYS 11 -7.850 -1.032 -1.322 55 HE3 LYS 11 2HE LYS 11 -9.070 -0.505 -2.480 56 HZ1 LYS 11 3HZ LYS 11 -10.141 -2.642 -1.053 57 HZ2 LYS 11 1HZ LYS 11 -10.610 -1.017 -0.997 58 HZ3 LYS 11 2HZ LYS 11 -9.445 -1.598 0.082 59 HA PRO 12 HA PRO 12 -10.443 -0.426 -8.224 60 HB2 PRO 12 1HB PRO 12 -11.280 1.594 -6.614 61 HB3 PRO 12 2HB PRO 12 -12.259 0.160 -6.945 62 HG2 PRO 12 1HG PRO 12 -10.551 0.779 -4.566 63 HG3 PRO 12 2HG PRO 12 -12.173 0.065 -4.623 64 HD2 PRO 12 1HD PRO 12 -9.937 -1.423 -4.280 65 HD3 PRO 12 2HD PRO 12 -11.368 -2.033 -5.136 66 H TYR 13 H TYR 13 -7.916 -0.250 -6.036 67 HA TYR 13 HA TYR 13 -6.582 1.779 -7.589 68 HB2 TYR 13 1HB TYR 13 -6.999 2.265 -4.634 69 HB3 TYR 13 2HB TYR 13 -6.119 3.296 -5.757 70 HD1 TYR 13 HD2 TYR 13 -7.399 4.464 -7.588 71 HD2 TYR 13 HD1 TYR 13 -9.334 2.476 -4.363 72 HE1 TYR 13 HE2 TYR 13 -9.461 5.717 -8.061 73 HE2 TYR 13 HE1 TYR 13 -11.403 3.722 -4.828 74 HH TYR 13 HH TYR 13 -11.862 6.139 -6.041 75 H ILE 14 H ILE 14 -4.626 0.978 -7.915 76 HA ILE 14 HA ILE 14 -3.237 -0.333 -5.682 77 HB ILE 14 HB ILE 14 -3.352 -1.360 -8.519 78 HG12 ILE 14 1HG1 ILE 14 -5.313 -1.896 -7.086 79 HG13 ILE 14 2HG1 ILE 14 -4.398 -3.324 -7.559 80 HG21 ILE 14 1HG2 ILE 14 -2.048 -3.175 -6.788 81 HG22 ILE 14 2HG2 ILE 14 -1.381 -2.316 -8.175 82 HG23 ILE 14 3HG2 ILE 14 -1.293 -1.597 -6.567 83 HD11 ILE 14 3HD1 ILE 14 -3.212 -2.757 -5.214 84 HD12 ILE 14 1HD1 ILE 14 -4.838 -2.149 -4.903 85 HD13 ILE 14 2HD1 ILE 14 -4.601 -3.830 -5.384 86 H CYS 15 H CYS 15 -1.638 1.055 -5.252 87 HA CYS 15 HA CYS 15 -0.490 2.978 -6.764 88 HB2 CYS 15 1HB CYS 15 0.200 2.872 -4.522 89 HB3 CYS 15 2HB CYS 15 0.710 1.192 -4.664 90 H ALA 16 H ALA 16 0.499 3.027 -8.661 91 HA ALA 16 HA ALA 16 1.641 0.569 -9.751 92 HB1 ALA 16 3HB ALA 16 1.570 3.059 -11.357 93 HB2 ALA 16 1HB ALA 16 1.230 1.393 -11.827 94 HB3 ALA 16 2HB ALA 16 0.025 2.320 -10.932 95 H GLU 17 H GLU 17 3.108 1.737 -7.662 96 HA GLU 17 HA GLU 17 5.545 2.505 -9.111 97 HB2 GLU 17 1HB GLU 17 4.240 3.907 -6.818 98 HB3 GLU 17 2HB GLU 17 5.995 3.902 -6.919 99 HG2 GLU 17 1HG GLU 17 4.328 4.738 -9.256 100 HG3 GLU 17 2HG GLU 17 4.695 5.863 -7.949 101 H CYS 18 H CYS 18 4.055 1.036 -6.301 102 HA CYS 18 HA CYS 18 6.541 -0.466 -5.843 103 HB2 CYS 18 1HB CYS 18 6.333 -0.277 -3.474 104 HB3 CYS 18 2HB CYS 18 6.186 1.352 -4.125 105 H GLY 19 H GLY 19 3.032 -0.316 -5.417 106 HA2 GLY 19 1HA GLY 19 1.851 -2.339 -6.273 107 HA3 GLY 19 2HA GLY 19 3.013 -3.271 -5.340 108 H LYS 20 H LYS 20 1.708 -0.311 -4.072 109 HA LYS 20 HA LYS 20 0.532 -1.776 -1.865 110 HB2 LYS 20 1HB LYS 20 1.890 0.498 -1.854 111 HB3 LYS 20 2HB LYS 20 0.296 1.189 -2.128 112 HG2 LYS 20 1HG LYS 20 0.339 1.247 0.139 113 HG3 LYS 20 2HG LYS 20 -0.334 -0.369 -0.087 114 HD2 LYS 20 1HD LYS 20 2.624 -0.087 0.019 115 HD3 LYS 20 2HD LYS 20 1.720 0.078 1.526 116 HE2 LYS 20 1HE LYS 20 0.609 -2.109 0.972 117 HE3 LYS 20 2HE LYS 20 1.758 -2.276 -0.355 118 HZ1 LYS 20 3HZ LYS 20 3.472 -2.672 1.056 119 HZ2 LYS 20 1HZ LYS 20 2.222 -3.275 2.024 120 HZ3 LYS 20 2HZ LYS 20 2.836 -1.724 2.304 121 H ALA 21 H ALA 21 -1.646 -1.472 -1.147 122 HA ALA 21 HA ALA 21 -3.497 -0.798 -3.341 123 HB1 ALA 21 3HB ALA 21 -4.136 -2.931 -3.113 124 HB2 ALA 21 1HB ALA 21 -3.359 -3.094 -1.537 125 HB3 ALA 21 2HB ALA 21 -4.965 -2.373 -1.659 126 H PHE 22 H PHE 22 -5.264 0.474 -2.913 127 HA PHE 22 HA PHE 22 -5.712 1.383 -0.173 128 HB2 PHE 22 1HB PHE 22 -4.987 3.158 -2.497 129 HB3 PHE 22 2HB PHE 22 -5.871 3.770 -1.103 130 HD1 PHE 22 HD2 PHE 22 -2.689 2.278 -2.211 131 HD2 PHE 22 HD1 PHE 22 -4.778 4.226 0.944 132 HE1 PHE 22 HE2 PHE 22 -0.564 2.619 -1.019 133 HE2 PHE 22 HE1 PHE 22 -2.656 4.571 2.141 134 HZ PHE 22 HZ PHE 22 -0.546 3.767 1.160 135 H THR 23 H THR 23 -7.747 2.567 0.076 136 HA THR 23 HA THR 23 -9.795 1.418 -1.642 137 HB THR 23 HB THR 23 -10.070 3.032 0.902 138 HG1 THR 23 HG1 THR 23 -10.113 0.239 0.358 139 HG21 THR 23 3HG2 THR 23 -12.195 3.270 0.218 140 HG22 THR 23 1HG2 THR 23 -12.363 1.555 0.589 141 HG23 THR 23 2HG2 THR 23 -12.012 2.070 -1.061 142 H ILE 24 H ILE 24 -8.927 4.646 -0.405 143 HA ILE 24 HA ILE 24 -10.645 5.889 -2.405 144 HB ILE 24 HB ILE 24 -8.916 7.423 -0.497 145 HG12 ILE 24 1HG1 ILE 24 -11.634 6.287 0.184 146 HG13 ILE 24 2HG1 ILE 24 -10.114 5.619 0.767 147 HG21 ILE 24 1HG2 ILE 24 -10.213 8.551 -2.303 148 HG22 ILE 24 2HG2 ILE 24 -11.689 7.966 -1.539 149 HG23 ILE 24 3HG2 ILE 24 -10.632 9.082 -0.675 150 HD11 ILE 24 3HD1 ILE 24 -11.633 7.903 1.708 151 HD12 ILE 24 1HD1 ILE 24 -10.389 6.953 2.520 152 HD13 ILE 24 2HD1 ILE 24 -9.928 8.273 1.445 153 H ARG 25 H ARG 25 -9.890 7.440 -3.906 154 HA ARG 25 HA ARG 25 -7.477 6.749 -5.198 155 HB2 ARG 25 1HB ARG 25 -9.478 7.718 -6.327 156 HB3 ARG 25 2HB ARG 25 -9.115 9.261 -5.566 157 HG2 ARG 25 1HG ARG 25 -7.030 9.415 -6.762 158 HG3 ARG 25 2HG ARG 25 -7.266 7.803 -7.441 159 HD2 ARG 25 1HD ARG 25 -9.010 10.215 -7.931 160 HD3 ARG 25 2HD ARG 25 -7.841 9.534 -9.061 161 HE ARG 25 HE ARG 25 -9.324 7.833 -9.542 162 HH11 ARG 25 1HH1 ARG 25 -10.467 9.692 -6.830 163 HH12 ARG 25 2HH1 ARG 25 -12.044 8.975 -6.836 164 HH21 ARG 25 1HH2 ARG 25 -11.397 6.882 -9.561 165 HH22 ARG 25 2HH2 ARG 25 -12.572 7.376 -8.389 166 H SER 26 H SER 26 -8.392 9.556 -3.225 167 HA SER 26 HA SER 26 -5.960 10.941 -3.447 168 HB2 SER 26 1HB SER 26 -6.695 12.161 -1.427 169 HB3 SER 26 2HB SER 26 -7.997 12.008 -2.607 170 HG SER 26 HG SER 26 -9.098 11.049 -1.112 171 H ASN 27 H ASN 27 -7.131 8.805 -0.844 172 HA ASN 27 HA ASN 27 -5.021 8.841 0.871 173 HB2 ASN 27 1HB ASN 27 -6.902 6.666 0.045 174 HB3 ASN 27 2HB ASN 27 -5.565 6.273 1.122 175 HD21 ASN 27 1HD2 ASN 27 -7.257 5.742 2.639 176 HD22 ASN 27 2HD2 ASN 27 -7.978 6.998 3.581 177 H LEU 28 H LEU 28 -5.175 7.255 -2.249 178 HA LEU 28 HA LEU 28 -2.735 5.793 -1.929 179 HB2 LEU 28 1HB LEU 28 -4.272 4.894 -3.461 180 HB3 LEU 28 2HB LEU 28 -4.494 6.443 -4.272 181 HG LEU 28 HG LEU 28 -2.087 6.214 -5.050 182 HD11 LEU 28 1HD1 LEU 28 -1.049 4.597 -3.824 183 HD12 LEU 28 2HD1 LEU 28 -1.567 3.632 -5.205 184 HD13 LEU 28 3HD1 LEU 28 -2.496 3.596 -3.706 185 HD21 LEU 28 3HD2 LEU 28 -4.345 4.466 -5.950 186 HD22 LEU 28 1HD2 LEU 28 -2.782 4.413 -6.766 187 HD23 LEU 28 2HD2 LEU 28 -3.692 5.923 -6.701 188 H ILE 29 H ILE 29 -3.651 8.766 -3.644 189 HA ILE 29 HA ILE 29 -1.217 9.372 -4.819 190 HB ILE 29 HB ILE 29 -3.217 11.320 -3.665 191 HG12 ILE 29 1HG1 ILE 29 -2.940 10.304 -6.500 192 HG13 ILE 29 2HG1 ILE 29 -4.111 9.684 -5.341 193 HG21 ILE 29 1HG2 ILE 29 -0.941 12.245 -4.152 194 HG22 ILE 29 2HG2 ILE 29 -1.190 11.799 -5.839 195 HG23 ILE 29 3HG2 ILE 29 -2.251 12.982 -5.075 196 HD11 ILE 29 3HD1 ILE 29 -5.041 11.990 -5.171 197 HD12 ILE 29 1HD1 ILE 29 -3.972 12.454 -6.495 198 HD13 ILE 29 2HD1 ILE 29 -5.220 11.235 -6.755 199 H LYS 30 H LYS 30 -2.350 10.065 -1.542 200 HA LYS 30 HA LYS 30 -0.181 11.661 -0.733 201 HB2 LYS 30 1HB LYS 30 -2.229 11.605 0.554 202 HB3 LYS 30 2HB LYS 30 -2.027 9.887 0.874 203 HG2 LYS 30 1HG LYS 30 -0.409 10.227 2.453 204 HG3 LYS 30 2HG LYS 30 0.115 11.757 1.745 205 HD2 LYS 30 1HD LYS 30 -1.845 12.875 2.583 206 HD3 LYS 30 2HD LYS 30 -2.522 11.348 3.153 207 HE2 LYS 30 1HE LYS 30 -1.584 12.542 5.021 208 HE3 LYS 30 2HE LYS 30 -0.596 11.120 4.692 209 HZ1 LYS 30 3HZ LYS 30 0.142 13.867 4.665 210 HZ2 LYS 30 1HZ LYS 30 0.514 13.129 3.189 211 HZ3 LYS 30 2HZ LYS 30 1.128 12.493 4.631 212 H HIS 31 H HIS 31 -0.456 8.277 -1.248 213 HA HIS 31 HA HIS 31 1.865 7.635 0.383 214 HB2 HIS 31 1HB HIS 31 0.394 5.869 0.530 215 HB3 HIS 31 2HB HIS 31 -0.176 6.067 -1.125 216 HD1 HIS 31 HD1 HIS 31 2.431 4.363 0.914 217 HD2 HIS 31 HD2 HIS 31 1.372 4.757 -3.084 218 HE1 HIS 31 HE1 HIS 31 3.745 2.600 -0.306 219 H GLN 32 H GLN 32 0.951 7.211 -3.041 220 HA GLN 32 HA GLN 32 3.259 6.364 -4.144 221 HB2 GLN 32 1HB GLN 32 1.516 8.560 -5.272 222 HB3 GLN 32 2HB GLN 32 2.660 7.593 -6.193 223 HG2 GLN 32 1HG GLN 32 1.246 5.599 -5.231 224 HG3 GLN 32 2HG GLN 32 0.011 6.848 -5.074 225 HE21 GLN 32 1HE2 GLN 32 1.644 4.737 -7.177 226 HE22 GLN 32 2HE2 GLN 32 0.887 5.234 -8.648 227 H LYS 33 H LYS 33 2.719 9.461 -2.702 228 HA LYS 33 HA LYS 33 4.701 11.015 -3.852 229 HB2 LYS 33 1HB LYS 33 3.585 10.942 -1.057 230 HB3 LYS 33 2HB LYS 33 4.805 12.116 -1.532 231 HG2 LYS 33 1HG LYS 33 2.308 11.839 -3.143 232 HG3 LYS 33 2HG LYS 33 2.290 12.745 -1.628 233 HD2 LYS 33 1HD LYS 33 4.322 13.279 -3.777 234 HD3 LYS 33 2HD LYS 33 2.736 14.054 -3.778 235 HE2 LYS 33 1HE LYS 33 3.174 15.018 -1.599 236 HE3 LYS 33 2HE LYS 33 4.718 14.173 -1.507 237 HZ1 LYS 33 3HZ LYS 33 5.277 16.304 -2.192 238 HZ2 LYS 33 1HZ LYS 33 3.959 16.435 -3.245 239 HZ3 LYS 33 2HZ LYS 33 5.263 15.434 -3.642 240 H ILE 34 H ILE 34 4.965 8.786 -1.098 241 HA ILE 34 HA ILE 34 7.538 9.186 -0.296 242 HB ILE 34 HB ILE 34 7.608 6.950 0.508 243 HG12 ILE 34 1HG1 ILE 34 5.340 6.286 -1.381 244 HG13 ILE 34 2HG1 ILE 34 7.027 5.874 -1.668 245 HG21 ILE 34 1HG2 ILE 34 6.052 7.553 1.972 246 HG22 ILE 34 2HG2 ILE 34 5.253 8.562 0.767 247 HG23 ILE 34 3HG2 ILE 34 4.832 6.855 0.906 248 HD11 ILE 34 3HD1 ILE 34 6.658 4.807 0.785 249 HD12 ILE 34 1HD1 ILE 34 5.047 4.622 0.091 250 HD13 ILE 34 2HD1 ILE 34 6.447 3.929 -0.729 251 H HIS 35 H HIS 35 6.488 7.963 -3.334 252 HA HIS 35 HA HIS 35 9.081 6.832 -4.004 253 HB2 HIS 35 1HB HIS 35 6.635 7.171 -5.751 254 HB3 HIS 35 2HB HIS 35 8.053 6.191 -6.113 255 HD1 HIS 35 HD1 HIS 35 8.419 4.544 -3.649 256 HD2 HIS 35 HD2 HIS 35 4.666 5.408 -5.208 257 HE1 HIS 35 HE1 HIS 35 6.896 2.746 -2.771 258 H THR 36 H THR 36 7.148 9.677 -4.683 259 HA THR 36 HA THR 36 8.861 10.667 -6.756 260 HB THR 36 HB THR 36 7.555 12.710 -6.645 261 HG1 THR 36 HG1 THR 36 7.001 13.196 -4.640 262 HG21 THR 36 3HG2 THR 36 5.973 11.650 -7.798 263 HG22 THR 36 1HG2 THR 36 5.232 11.096 -6.297 264 HG23 THR 36 2HG2 THR 36 6.477 10.121 -7.079 265 H LYS 37 H LYS 37 8.536 11.186 -3.289 266 HA LYS 37 HA LYS 37 9.904 13.397 -2.701 267 HB2 LYS 37 1HB LYS 37 10.170 10.661 -1.479 268 HB3 LYS 37 2HB LYS 37 11.045 12.040 -0.826 269 HG2 LYS 37 1HG LYS 37 8.112 12.288 -1.247 270 HG3 LYS 37 2HG LYS 37 8.701 11.339 0.120 271 HD2 LYS 37 1HD LYS 37 9.909 13.223 0.985 272 HD3 LYS 37 2HD LYS 37 9.555 14.173 -0.460 273 HE2 LYS 37 1HE LYS 37 7.145 14.033 0.096 274 HE3 LYS 37 2HE LYS 37 7.567 13.190 1.586 275 HZ1 LYS 37 3HZ LYS 37 7.506 15.956 1.099 276 HZ2 LYS 37 1HZ LYS 37 9.097 15.516 1.473 277 HZ3 LYS 37 2HZ LYS 37 7.843 15.148 2.547 278 H GLN 38 H GLN 38 11.568 10.322 -3.413 279 HA GLN 38 HA GLN 38 14.105 11.693 -3.666 280 HB2 GLN 38 1HB GLN 38 13.226 8.829 -3.767 281 HB3 GLN 38 2HB GLN 38 14.813 9.281 -4.375 282 HG2 GLN 38 1HG GLN 38 15.476 10.110 -2.240 283 HG3 GLN 38 2HG GLN 38 13.842 9.925 -1.605 284 HE21 GLN 38 1HE2 GLN 38 14.301 8.525 0.018 285 HE22 GLN 38 2HE2 GLN 38 14.883 6.918 -0.232 286 H LYS 39 H LYS 39 13.305 13.053 -5.459 287 HA LYS 39 HA LYS 39 13.824 11.723 -8.020 288 HB2 LYS 39 1HB LYS 39 11.347 11.986 -7.661 289 HB3 LYS 39 2HB LYS 39 11.595 13.727 -7.638 290 HG2 LYS 39 1HG LYS 39 12.519 13.590 -9.923 291 HG3 LYS 39 2HG LYS 39 12.152 11.863 -9.937 292 HD2 LYS 39 1HD LYS 39 9.746 12.681 -9.298 293 HD3 LYS 39 2HD LYS 39 10.298 14.204 -10.000 294 HE2 LYS 39 1HE LYS 39 9.182 12.900 -11.693 295 HE3 LYS 39 2HE LYS 39 10.902 12.989 -12.065 296 HZ1 LYS 39 3HZ LYS 39 9.866 10.702 -10.534 297 HZ2 LYS 39 1HZ LYS 39 11.222 10.791 -11.543 298 HZ3 LYS 39 2HZ LYS 39 9.670 10.735 -12.214 299 HA PRO 40 HA PRO 40 16.541 15.151 -8.577 300 HB2 PRO 40 1HB PRO 40 16.896 14.945 -11.260 301 HB3 PRO 40 2HB PRO 40 17.638 13.832 -10.105 302 HG2 PRO 40 1HG PRO 40 15.172 13.475 -11.763 303 HG3 PRO 40 2HG PRO 40 16.477 12.320 -11.437 304 HD2 PRO 40 1HD PRO 40 14.105 12.245 -10.132 305 HD3 PRO 40 2HD PRO 40 15.631 11.757 -9.368 306 H SER 41 H SER 41 16.632 17.243 -9.522 307 HA SER 41 HA SER 41 13.997 18.269 -10.270 308 HB2 SER 41 1HB SER 41 16.499 19.532 -9.185 309 HB3 SER 41 2HB SER 41 15.261 20.522 -9.957 310 HG SER 41 HG SER 41 13.880 19.110 -8.366 311 H GLY 42 H GLY 42 13.519 18.676 -12.320 312 HA2 GLY 42 1HA GLY 42 14.088 19.937 -14.335 313 HA3 GLY 42 2HA GLY 42 15.729 19.331 -14.167 314 HA PRO 43 HA PRO 43 13.083 16.640 -17.037 315 HB2 PRO 43 1HB PRO 43 14.302 17.300 -19.371 316 HB3 PRO 43 2HB PRO 43 12.896 18.167 -18.743 317 HG2 PRO 43 1HG PRO 43 15.795 18.895 -18.586 318 HG3 PRO 43 2HG PRO 43 14.400 19.928 -18.947 319 HD2 PRO 43 1HD PRO 43 15.566 19.857 -16.504 320 HD3 PRO 43 2HD PRO 43 13.829 20.150 -16.725 321 H SER 44 H SER 44 16.275 17.093 -16.078 322 HA SER 44 HA SER 44 17.937 15.556 -17.506 323 HB2 SER 44 1HB SER 44 18.349 16.595 -15.210 324 HB3 SER 44 2HB SER 44 17.694 15.106 -14.531 325 HG SER 44 HG SER 44 19.412 14.012 -15.215 326 H SER 45 H SER 45 18.058 13.540 -18.251 327 HA SER 45 HA SER 45 16.273 11.512 -17.072 328 HB2 SER 45 1HB SER 45 17.079 11.778 -19.979 329 HB3 SER 45 2HB SER 45 16.027 10.532 -19.307 330 HG SER 45 HG SER 45 15.421 13.264 -18.981 331 H GLY 46 H GLY 46 18.850 11.884 -16.111 332 HA2 GLY 46 1HA GLY 46 19.965 9.267 -16.628 333 HA3 GLY 46 2HA GLY 46 20.985 10.596 -17.160 Start of MODEL 12 1 H1 GLY 1 H GLY 1 8.843 -14.297 -10.332 2 HA2 GLY 1 1HA GLY 1 10.062 -14.874 -12.932 3 HA3 GLY 1 2HA GLY 1 9.568 -16.239 -11.942 4 H SER 2 H SER 2 8.544 -15.768 -14.497 5 HA SER 2 HA SER 2 6.305 -14.353 -14.925 6 HB2 SER 2 1HB SER 2 5.549 -16.046 -16.433 7 HB3 SER 2 2HB SER 2 7.311 -16.119 -16.441 8 HG SER 2 HG SER 2 5.453 -17.925 -15.407 9 H SER 3 H SER 3 6.457 -17.318 -12.993 10 HA SER 3 HA SER 3 4.861 -18.366 -11.712 11 HB2 SER 3 1HB SER 3 5.049 -15.524 -10.841 12 HB3 SER 3 2HB SER 3 3.766 -16.508 -10.137 13 HG SER 3 HG SER 3 6.365 -16.483 -9.533 14 H GLY 4 H GLY 4 3.840 -17.913 -14.254 15 HA2 GLY 4 1HA GLY 4 1.804 -18.090 -15.316 16 HA3 GLY 4 2HA GLY 4 1.040 -18.053 -13.734 17 H SER 5 H SER 5 -0.583 -16.630 -14.123 18 HA SER 5 HA SER 5 0.219 -13.917 -14.952 19 HB2 SER 5 1HB SER 5 -2.126 -15.593 -15.727 20 HB3 SER 5 2HB SER 5 -2.360 -13.850 -15.590 21 HG SER 5 HG SER 5 -0.749 -13.545 -17.120 22 H SER 6 H SER 6 0.406 -12.890 -13.035 23 HA SER 6 HA SER 6 -0.786 -13.277 -10.652 24 HB2 SER 6 1HB SER 6 -0.413 -10.524 -11.852 25 HB3 SER 6 2HB SER 6 -0.432 -10.937 -10.138 26 HG SER 6 HG SER 6 1.663 -11.002 -10.484 27 H GLY 7 H GLY 7 -2.598 -12.322 -9.530 28 HA2 GLY 7 1HA GLY 7 -4.651 -10.819 -10.428 29 HA3 GLY 7 2HA GLY 7 -4.989 -12.381 -11.159 30 H THR 8 H THR 8 -4.162 -10.967 -7.997 31 HA THR 8 HA THR 8 -6.003 -12.913 -6.765 32 HB THR 8 HB THR 8 -3.635 -11.550 -5.468 33 HG1 THR 8 HG1 THR 8 -3.591 -13.545 -7.108 34 HG21 THR 8 3HG2 THR 8 -4.152 -12.628 -3.505 35 HG22 THR 8 1HG2 THR 8 -5.049 -13.910 -4.317 36 HG23 THR 8 2HG2 THR 8 -5.772 -12.313 -4.126 37 H GLY 9 H GLY 9 -7.889 -11.906 -6.422 38 HA2 GLY 9 1HA GLY 9 -9.349 -10.492 -5.310 39 HA3 GLY 9 2HA GLY 9 -7.964 -9.652 -4.630 40 H GLU 10 H GLU 10 -9.816 -7.978 -5.233 41 HA GLU 10 HA GLU 10 -8.891 -6.703 -7.699 42 HB2 GLU 10 1HB GLU 10 -11.802 -7.086 -6.979 43 HB3 GLU 10 2HB GLU 10 -11.211 -6.100 -8.309 44 HG2 GLU 10 1HG GLU 10 -11.889 -8.126 -9.270 45 HG3 GLU 10 2HG GLU 10 -10.129 -8.194 -9.213 46 H LYS 11 H LYS 11 -8.318 -4.676 -7.309 47 HA LYS 11 HA LYS 11 -9.631 -3.238 -5.098 48 HB2 LYS 11 1HB LYS 11 -6.715 -3.111 -5.888 49 HB3 LYS 11 2HB LYS 11 -7.475 -2.118 -4.651 50 HG2 LYS 11 1HG LYS 11 -7.736 -5.056 -4.383 51 HG3 LYS 11 2HG LYS 11 -6.148 -4.344 -4.083 52 HD2 LYS 11 1HD LYS 11 -6.992 -4.137 -1.987 53 HD3 LYS 11 2HD LYS 11 -7.650 -2.645 -2.664 54 HE2 LYS 11 1HE LYS 11 -9.442 -3.702 -1.545 55 HE3 LYS 11 2HE LYS 11 -9.710 -3.979 -3.265 56 HZ1 LYS 11 3HZ LYS 11 -9.967 -5.933 -1.640 57 HZ2 LYS 11 1HZ LYS 11 -8.276 -5.976 -1.639 58 HZ3 LYS 11 2HZ LYS 11 -9.126 -6.193 -3.085 59 HA PRO 12 HA PRO 12 -10.533 -0.080 -8.023 60 HB2 PRO 12 1HB PRO 12 -10.712 2.055 -6.355 61 HB3 PRO 12 2HB PRO 12 -11.945 0.791 -6.434 62 HG2 PRO 12 1HG PRO 12 -9.721 1.147 -4.462 63 HG3 PRO 12 2HG PRO 12 -11.412 0.696 -4.172 64 HD2 PRO 12 1HD PRO 12 -9.407 -1.123 -4.223 65 HD3 PRO 12 2HD PRO 12 -11.056 -1.505 -4.757 66 H TYR 13 H TYR 13 -7.889 0.423 -5.743 67 HA TYR 13 HA TYR 13 -6.396 1.799 -7.850 68 HB2 TYR 13 1HB TYR 13 -6.468 2.849 -5.019 69 HB3 TYR 13 2HB TYR 13 -5.700 3.590 -6.419 70 HD1 TYR 13 HD2 TYR 13 -7.095 4.621 -8.191 71 HD2 TYR 13 HD1 TYR 13 -8.797 3.144 -4.582 72 HE1 TYR 13 HE2 TYR 13 -9.140 5.912 -8.634 73 HE2 TYR 13 HE1 TYR 13 -10.848 4.430 -5.016 74 HH TYR 13 HH TYR 13 -11.881 5.847 -6.372 75 H ILE 14 H ILE 14 -4.286 1.255 -7.932 76 HA ILE 14 HA ILE 14 -3.063 -0.087 -5.637 77 HB ILE 14 HB ILE 14 -3.096 -1.254 -8.423 78 HG12 ILE 14 1HG1 ILE 14 -4.184 -2.393 -5.841 79 HG13 ILE 14 2HG1 ILE 14 -5.170 -1.579 -7.051 80 HG21 ILE 14 1HG2 ILE 14 -1.592 -2.881 -7.730 81 HG22 ILE 14 2HG2 ILE 14 -0.950 -1.411 -6.999 82 HG23 ILE 14 3HG2 ILE 14 -1.871 -2.552 -6.020 83 HD11 ILE 14 3HD1 ILE 14 -5.420 -3.493 -8.117 84 HD12 ILE 14 1HD1 ILE 14 -3.677 -3.585 -8.370 85 HD13 ILE 14 2HD1 ILE 14 -4.398 -4.300 -6.928 86 H CYS 15 H CYS 15 -1.032 0.559 -5.300 87 HA CYS 15 HA CYS 15 0.161 2.473 -7.085 88 HB2 CYS 15 1HB CYS 15 0.273 2.602 -4.571 89 HB3 CYS 15 2HB CYS 15 1.381 1.234 -4.613 90 H ALA 16 H ALA 16 0.472 1.156 -8.958 91 HA ALA 16 HA ALA 16 1.763 -1.224 -9.224 92 HB1 ALA 16 3HB ALA 16 2.556 -0.408 -11.437 93 HB2 ALA 16 1HB ALA 16 0.844 -0.109 -11.135 94 HB3 ALA 16 2HB ALA 16 2.009 1.207 -10.987 95 H GLU 17 H GLU 17 3.261 1.942 -8.740 96 HA GLU 17 HA GLU 17 5.883 1.528 -9.205 97 HB2 GLU 17 1HB GLU 17 4.490 2.994 -6.998 98 HB3 GLU 17 2HB GLU 17 6.244 2.880 -6.984 99 HG2 GLU 17 1HG GLU 17 4.682 3.921 -9.329 100 HG3 GLU 17 2HG GLU 17 5.288 4.949 -8.032 101 H CYS 18 H CYS 18 4.442 0.839 -6.012 102 HA CYS 18 HA CYS 18 6.637 -1.039 -5.501 103 HB2 CYS 18 1HB CYS 18 5.768 -0.936 -3.122 104 HB3 CYS 18 2HB CYS 18 6.445 0.562 -3.753 105 H GLY 19 H GLY 19 3.096 -0.797 -5.239 106 HA2 GLY 19 1HA GLY 19 1.869 -2.726 -6.222 107 HA3 GLY 19 2HA GLY 19 3.002 -3.749 -5.352 108 H LYS 20 H LYS 20 1.216 -0.859 -4.312 109 HA LYS 20 HA LYS 20 0.174 -2.430 -2.058 110 HB2 LYS 20 1HB LYS 20 0.926 0.425 -2.421 111 HB3 LYS 20 2HB LYS 20 -0.406 0.075 -1.327 112 HG2 LYS 20 1HG LYS 20 0.975 -1.255 0.069 113 HG3 LYS 20 2HG LYS 20 2.288 -1.242 -1.111 114 HD2 LYS 20 1HD LYS 20 2.264 1.308 -0.811 115 HD3 LYS 20 2HD LYS 20 1.305 0.993 0.637 116 HE2 LYS 20 1HE LYS 20 3.232 -0.697 1.173 117 HE3 LYS 20 2HE LYS 20 4.150 0.304 0.050 118 HZ1 LYS 20 3HZ LYS 20 3.379 2.243 1.461 119 HZ2 LYS 20 1HZ LYS 20 4.537 1.218 2.149 120 HZ3 LYS 20 2HZ LYS 20 2.916 1.098 2.617 121 H ALA 21 H ALA 21 -2.022 -1.706 -1.264 122 HA ALA 21 HA ALA 21 -3.791 -1.058 -3.530 123 HB1 ALA 21 3HB ALA 21 -5.084 -2.741 -1.572 124 HB2 ALA 21 1HB ALA 21 -4.927 -2.956 -3.316 125 HB3 ALA 21 2HB ALA 21 -3.648 -3.518 -2.239 126 H PHE 22 H PHE 22 -5.078 0.624 -3.177 127 HA PHE 22 HA PHE 22 -5.605 1.421 -0.389 128 HB2 PHE 22 1HB PHE 22 -5.202 3.165 -2.826 129 HB3 PHE 22 2HB PHE 22 -5.758 3.763 -1.267 130 HD1 PHE 22 HD2 PHE 22 -2.962 1.784 -2.739 131 HD2 PHE 22 HD1 PHE 22 -4.204 4.597 0.205 132 HE1 PHE 22 HE2 PHE 22 -0.626 2.053 -2.015 133 HE2 PHE 22 HE1 PHE 22 -1.870 4.871 0.933 134 HZ PHE 22 HZ PHE 22 -0.078 3.597 -0.176 135 H THR 23 H THR 23 -7.588 2.901 -0.252 136 HA THR 23 HA THR 23 -9.746 1.650 -1.811 137 HB THR 23 HB THR 23 -9.956 3.105 0.832 138 HG1 THR 23 HG1 THR 23 -9.778 0.345 0.175 139 HG21 THR 23 3HG2 THR 23 -11.981 3.046 -0.703 140 HG22 THR 23 1HG2 THR 23 -12.207 2.379 0.913 141 HG23 THR 23 2HG2 THR 23 -11.988 1.299 -0.463 142 H ILE 24 H ILE 24 -8.893 4.784 -0.336 143 HA ILE 24 HA ILE 24 -10.659 6.138 -2.230 144 HB ILE 24 HB ILE 24 -9.056 7.440 -0.037 145 HG12 ILE 24 1HG1 ILE 24 -11.900 6.439 0.175 146 HG13 ILE 24 2HG1 ILE 24 -10.512 5.576 0.826 147 HG21 ILE 24 1HG2 ILE 24 -11.269 8.251 -1.849 148 HG22 ILE 24 2HG2 ILE 24 -11.219 8.936 -0.226 149 HG23 ILE 24 3HG2 ILE 24 -9.853 9.157 -1.318 150 HD11 ILE 24 3HD1 ILE 24 -10.228 8.105 1.866 151 HD12 ILE 24 1HD1 ILE 24 -11.971 7.838 1.898 152 HD13 ILE 24 2HD1 ILE 24 -10.889 6.700 2.702 153 H ARG 25 H ARG 25 -9.884 6.891 -4.077 154 HA ARG 25 HA ARG 25 -7.449 6.730 -5.146 155 HB2 ARG 25 1HB ARG 25 -9.151 7.620 -6.512 156 HB3 ARG 25 2HB ARG 25 -9.452 8.958 -5.411 157 HG2 ARG 25 1HG ARG 25 -7.654 10.167 -6.167 158 HG3 ARG 25 2HG ARG 25 -6.787 8.733 -6.721 159 HD2 ARG 25 1HD ARG 25 -8.470 8.474 -8.523 160 HD3 ARG 25 2HD ARG 25 -9.212 9.986 -8.001 161 HE ARG 25 HE ARG 25 -7.471 11.151 -8.964 162 HH11 ARG 25 1HH1 ARG 25 -6.752 7.745 -8.923 163 HH12 ARG 25 2HH1 ARG 25 -5.380 7.889 -9.971 164 HH21 ARG 25 1HH2 ARG 25 -5.667 11.354 -10.345 165 HH22 ARG 25 2HH2 ARG 25 -4.762 9.942 -10.778 166 H SER 26 H SER 26 -8.473 9.411 -3.056 167 HA SER 26 HA SER 26 -6.073 10.867 -3.167 168 HB2 SER 26 1HB SER 26 -8.250 10.737 -1.077 169 HB3 SER 26 2HB SER 26 -6.887 11.851 -0.970 170 HG SER 26 HG SER 26 -8.478 11.735 -3.293 171 H ASN 27 H ASN 27 -7.228 8.514 -0.758 172 HA ASN 27 HA ASN 27 -5.142 8.545 1.016 173 HB2 ASN 27 1HB ASN 27 -7.250 7.164 1.165 174 HB3 ASN 27 2HB ASN 27 -6.487 6.007 0.078 175 HD21 ASN 27 1HD2 ASN 27 -7.358 5.333 2.617 176 HD22 ASN 27 2HD2 ASN 27 -5.987 4.952 3.598 177 H LEU 28 H LEU 28 -5.106 7.471 -2.247 178 HA LEU 28 HA LEU 28 -2.666 5.925 -1.934 179 HB2 LEU 28 1HB LEU 28 -4.160 5.005 -3.493 180 HB3 LEU 28 2HB LEU 28 -4.458 6.567 -4.253 181 HG LEU 28 HG LEU 28 -2.074 6.491 -5.075 182 HD11 LEU 28 1HD1 LEU 28 -1.268 4.032 -5.245 183 HD12 LEU 28 2HD1 LEU 28 -2.285 3.784 -3.827 184 HD13 LEU 28 3HD1 LEU 28 -0.960 4.947 -3.769 185 HD21 LEU 28 3HD2 LEU 28 -3.033 5.854 -6.970 186 HD22 LEU 28 1HD2 LEU 28 -4.418 5.260 -6.054 187 HD23 LEU 28 2HD2 LEU 28 -3.072 4.179 -6.417 188 H ILE 29 H ILE 29 -3.720 9.009 -3.275 189 HA ILE 29 HA ILE 29 -1.382 9.769 -4.583 190 HB ILE 29 HB ILE 29 -3.258 11.605 -3.090 191 HG12 ILE 29 1HG1 ILE 29 -4.554 10.235 -4.594 192 HG13 ILE 29 2HG1 ILE 29 -4.386 11.835 -5.310 193 HG21 ILE 29 1HG2 ILE 29 -1.140 12.636 -3.780 194 HG22 ILE 29 2HG2 ILE 29 -1.446 12.133 -5.441 195 HG23 ILE 29 3HG2 ILE 29 -2.514 13.300 -4.663 196 HD11 ILE 29 3HD1 ILE 29 -2.712 9.444 -6.039 197 HD12 ILE 29 1HD1 ILE 29 -4.124 10.006 -6.934 198 HD13 ILE 29 2HD1 ILE 29 -2.692 11.028 -6.814 199 H LYS 30 H LYS 30 -2.363 10.381 -1.219 200 HA LYS 30 HA LYS 30 -0.105 11.821 -0.428 201 HB2 LYS 30 1HB LYS 30 -2.382 11.254 0.796 202 HB3 LYS 30 2HB LYS 30 -1.423 9.958 1.499 203 HG2 LYS 30 1HG LYS 30 0.255 11.948 1.971 204 HG3 LYS 30 2HG LYS 30 -1.235 12.891 1.893 205 HD2 LYS 30 1HD LYS 30 -0.985 12.311 4.161 206 HD3 LYS 30 2HD LYS 30 -2.205 11.201 3.531 207 HE2 LYS 30 1HE LYS 30 -0.825 9.790 4.739 208 HE3 LYS 30 2HE LYS 30 -0.189 9.628 3.103 209 HZ1 LYS 30 3HZ LYS 30 1.454 11.397 3.739 210 HZ2 LYS 30 1HZ LYS 30 1.654 9.907 4.517 211 HZ3 LYS 30 2HZ LYS 30 0.945 11.202 5.341 212 H HIS 31 H HIS 31 -0.421 8.532 -1.232 213 HA HIS 31 HA HIS 31 1.934 7.729 0.294 214 HB2 HIS 31 1HB HIS 31 0.352 6.027 0.398 215 HB3 HIS 31 2HB HIS 31 -0.160 6.262 -1.270 216 HD1 HIS 31 HD1 HIS 31 2.557 4.661 0.776 217 HD2 HIS 31 HD2 HIS 31 1.218 4.775 -3.155 218 HE1 HIS 31 HE1 HIS 31 3.827 2.849 -0.420 219 H GLN 32 H GLN 32 0.860 7.379 -3.094 220 HA GLN 32 HA GLN 32 3.150 6.627 -4.308 221 HB2 GLN 32 1HB GLN 32 1.130 8.654 -5.266 222 HB3 GLN 32 2HB GLN 32 2.406 8.011 -6.291 223 HG2 GLN 32 1HG GLN 32 1.502 5.720 -5.800 224 HG3 GLN 32 2HG GLN 32 0.124 6.514 -5.039 225 HE21 GLN 32 1HE2 GLN 32 -0.636 8.450 -6.575 226 HE22 GLN 32 2HE2 GLN 32 -0.984 7.937 -8.188 227 H LYS 33 H LYS 33 2.528 9.713 -2.857 228 HA LYS 33 HA LYS 33 4.388 11.347 -4.083 229 HB2 LYS 33 1HB LYS 33 4.281 12.734 -2.170 230 HB3 LYS 33 2HB LYS 33 2.706 11.960 -2.282 231 HG2 LYS 33 1HG LYS 33 3.384 10.345 -0.570 232 HG3 LYS 33 2HG LYS 33 4.952 11.146 -0.447 233 HD2 LYS 33 1HD LYS 33 3.562 13.275 0.028 234 HD3 LYS 33 2HD LYS 33 2.248 12.147 0.370 235 HE2 LYS 33 1HE LYS 33 3.298 12.606 2.443 236 HE3 LYS 33 2HE LYS 33 3.813 10.989 1.969 237 HZ1 LYS 33 3HZ LYS 33 5.924 11.758 1.386 238 HZ2 LYS 33 1HZ LYS 33 5.581 12.564 2.834 239 HZ3 LYS 33 2HZ LYS 33 5.442 13.379 1.359 240 H ILE 34 H ILE 34 4.877 9.073 -1.406 241 HA ILE 34 HA ILE 34 7.463 9.599 -0.695 242 HB ILE 34 HB ILE 34 7.671 7.361 0.075 243 HG12 ILE 34 1HG1 ILE 34 5.332 6.577 -1.670 244 HG13 ILE 34 2HG1 ILE 34 7.012 6.330 -2.133 245 HG21 ILE 34 1HG2 ILE 34 5.278 8.867 0.473 246 HG22 ILE 34 2HG2 ILE 34 4.903 7.147 0.559 247 HG23 ILE 34 3HG2 ILE 34 6.141 7.832 1.611 248 HD11 ILE 34 3HD1 ILE 34 5.865 4.334 -1.173 249 HD12 ILE 34 1HD1 ILE 34 7.357 4.798 -0.355 250 HD13 ILE 34 2HD1 ILE 34 5.796 5.192 0.367 251 H HIS 35 H HIS 35 6.322 8.046 -3.611 252 HA HIS 35 HA HIS 35 8.929 7.146 -4.434 253 HB2 HIS 35 1HB HIS 35 6.344 7.376 -5.990 254 HB3 HIS 35 2HB HIS 35 7.803 6.568 -6.556 255 HD1 HIS 35 HD1 HIS 35 8.196 4.196 -5.779 256 HD2 HIS 35 HD2 HIS 35 5.005 6.026 -3.848 257 HE1 HIS 35 HE1 HIS 35 7.049 2.365 -4.492 258 H THR 36 H THR 36 6.897 9.942 -4.983 259 HA THR 36 HA THR 36 8.392 10.997 -7.167 260 HB THR 36 HB THR 36 6.614 12.525 -5.258 261 HG1 THR 36 HG1 THR 36 6.009 11.012 -7.591 262 HG21 THR 36 3HG2 THR 36 6.329 14.063 -7.124 263 HG22 THR 36 1HG2 THR 36 7.389 13.073 -8.126 264 HG23 THR 36 2HG2 THR 36 8.038 13.909 -6.716 265 H LYS 37 H LYS 37 8.627 11.228 -3.691 266 HA LYS 37 HA LYS 37 10.542 13.397 -3.778 267 HB2 LYS 37 1HB LYS 37 9.156 11.845 -1.652 268 HB3 LYS 37 2HB LYS 37 10.700 12.578 -1.238 269 HG2 LYS 37 1HG LYS 37 8.570 14.212 -2.546 270 HG3 LYS 37 2HG LYS 37 8.506 13.881 -0.813 271 HD2 LYS 37 1HD LYS 37 10.966 14.700 -0.818 272 HD3 LYS 37 2HD LYS 37 10.547 15.422 -2.373 273 HE2 LYS 37 1HE LYS 37 8.497 16.358 -1.042 274 HE3 LYS 37 2HE LYS 37 9.524 16.058 0.359 275 HZ1 LYS 37 3HZ LYS 37 10.265 17.728 -1.984 276 HZ2 LYS 37 1HZ LYS 37 11.220 17.463 -0.612 277 HZ3 LYS 37 2HZ LYS 37 9.767 18.319 -0.479 278 H GLN 38 H GLN 38 11.423 11.277 -5.312 279 HA GLN 38 HA GLN 38 13.517 10.022 -3.673 280 HB2 GLN 38 1HB GLN 38 11.901 8.626 -5.110 281 HB3 GLN 38 2HB GLN 38 12.810 9.230 -6.488 282 HG2 GLN 38 1HG GLN 38 14.878 8.343 -5.260 283 HG3 GLN 38 2HG GLN 38 13.729 7.441 -4.272 284 HE21 GLN 38 1HE2 GLN 38 15.477 7.522 -7.152 285 HE22 GLN 38 2HE2 GLN 38 14.756 6.153 -7.921 286 H LYS 39 H LYS 39 12.968 11.748 -6.718 287 HA LYS 39 HA LYS 39 15.829 12.064 -7.134 288 HB2 LYS 39 1HB LYS 39 15.180 13.175 -9.230 289 HB3 LYS 39 2HB LYS 39 14.431 11.591 -9.073 290 HG2 LYS 39 1HG LYS 39 12.467 13.037 -8.038 291 HG3 LYS 39 2HG LYS 39 13.203 14.287 -9.045 292 HD2 LYS 39 1HD LYS 39 11.629 13.320 -10.460 293 HD3 LYS 39 2HD LYS 39 13.129 12.508 -10.914 294 HE2 LYS 39 1HE LYS 39 12.525 10.531 -9.848 295 HE3 LYS 39 2HE LYS 39 11.326 11.331 -8.832 296 HZ1 LYS 39 3HZ LYS 39 10.071 11.760 -10.957 297 HZ2 LYS 39 1HZ LYS 39 10.128 10.148 -10.448 298 HZ3 LYS 39 2HZ LYS 39 11.123 10.672 -11.711 299 HA PRO 40 HA PRO 40 16.090 15.980 -5.130 300 HB2 PRO 40 1HB PRO 40 18.336 16.909 -6.340 301 HB3 PRO 40 2HB PRO 40 18.363 15.643 -5.107 302 HG2 PRO 40 1HG PRO 40 18.488 15.387 -8.087 303 HG3 PRO 40 2HG PRO 40 19.429 14.533 -6.850 304 HD2 PRO 40 1HD PRO 40 17.297 13.415 -8.090 305 HD3 PRO 40 2HD PRO 40 17.729 13.040 -6.409 306 H SER 41 H SER 41 16.813 16.088 -8.627 307 HA SER 41 HA SER 41 14.975 18.369 -8.859 308 HB2 SER 41 1HB SER 41 17.499 18.984 -8.809 309 HB3 SER 41 2HB SER 41 17.537 18.299 -10.434 310 HG SER 41 HG SER 41 17.037 20.679 -10.074 311 H GLY 42 H GLY 42 14.090 15.918 -9.443 312 HA2 GLY 42 1HA GLY 42 14.392 15.596 -12.356 313 HA3 GLY 42 2HA GLY 42 13.819 14.353 -11.253 314 HA PRO 43 HA PRO 43 10.223 16.525 -13.362 315 HB2 PRO 43 1HB PRO 43 9.217 14.319 -14.582 316 HB3 PRO 43 2HB PRO 43 10.430 15.362 -15.333 317 HG2 PRO 43 1HG PRO 43 10.795 12.755 -13.908 318 HG3 PRO 43 2HG PRO 43 11.546 13.323 -15.411 319 HD2 PRO 43 1HD PRO 43 12.831 13.381 -13.028 320 HD3 PRO 43 2HD PRO 43 13.115 14.591 -14.296 321 H SER 44 H SER 44 7.850 15.545 -13.334 322 HA SER 44 HA SER 44 7.242 15.075 -10.593 323 HB2 SER 44 1HB SER 44 5.837 16.243 -12.491 324 HB3 SER 44 2HB SER 44 5.225 14.611 -12.758 325 HG SER 44 HG SER 44 5.293 15.532 -10.132 326 H SER 45 H SER 45 7.033 13.071 -13.517 327 HA SER 45 HA SER 45 7.589 10.682 -12.066 328 HB2 SER 45 1HB SER 45 5.401 9.554 -12.621 329 HB3 SER 45 2HB SER 45 5.294 10.794 -11.372 330 HG SER 45 HG SER 45 4.174 12.048 -12.686 331 H GLY 46 H GLY 46 7.809 8.827 -13.446 332 HA2 GLY 46 1HA GLY 46 9.075 9.214 -15.825 333 HA3 GLY 46 2HA GLY 46 8.209 7.735 -15.438 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -14.772 -24.032 -10.631 2 HA2 GLY 1 1HA GLY 1 -14.250 -26.825 -9.828 3 HA3 GLY 1 2HA GLY 1 -13.267 -25.917 -10.967 4 H SER 2 H SER 2 -12.779 -23.582 -9.717 5 HA SER 2 HA SER 2 -11.865 -24.097 -7.012 6 HB2 SER 2 1HB SER 2 -9.946 -23.575 -9.290 7 HB3 SER 2 2HB SER 2 -9.512 -23.416 -7.588 8 HG SER 2 HG SER 2 -9.671 -25.557 -7.326 9 H SER 3 H SER 3 -12.553 -22.365 -5.957 10 HA SER 3 HA SER 3 -11.647 -19.755 -6.552 11 HB2 SER 3 1HB SER 3 -13.371 -19.956 -8.335 12 HB3 SER 3 2HB SER 3 -14.590 -20.226 -7.090 13 HG SER 3 HG SER 3 -13.427 -17.897 -7.921 14 H GLY 4 H GLY 4 -11.638 -18.612 -4.715 15 HA2 GLY 4 1HA GLY 4 -13.728 -18.757 -2.770 16 HA3 GLY 4 2HA GLY 4 -12.307 -19.655 -2.259 17 H SER 5 H SER 5 -13.680 -17.064 -1.386 18 HA SER 5 HA SER 5 -11.202 -15.603 -0.956 19 HB2 SER 5 1HB SER 5 -13.477 -14.594 -2.595 20 HB3 SER 5 2HB SER 5 -12.685 -13.453 -1.509 21 HG SER 5 HG SER 5 -11.046 -15.053 -3.091 22 H SER 6 H SER 6 -11.150 -15.534 1.191 23 HA SER 6 HA SER 6 -13.364 -15.718 2.894 24 HB2 SER 6 1HB SER 6 -11.787 -14.986 4.681 25 HB3 SER 6 2HB SER 6 -11.135 -16.279 3.674 26 HG SER 6 HG SER 6 -9.748 -14.897 2.760 27 H GLY 7 H GLY 7 -11.477 -12.878 1.879 28 HA2 GLY 7 1HA GLY 7 -13.729 -11.161 1.917 29 HA3 GLY 7 2HA GLY 7 -12.795 -10.946 3.390 30 H THR 8 H THR 8 -11.043 -9.667 3.348 31 HA THR 8 HA THR 8 -10.553 -7.747 1.546 32 HB THR 8 HB THR 8 -8.213 -7.639 2.290 33 HG1 THR 8 HG1 THR 8 -7.455 -9.295 3.707 34 HG21 THR 8 3HG2 THR 8 -10.158 -8.329 4.496 35 HG22 THR 8 1HG2 THR 8 -9.936 -6.742 3.761 36 HG23 THR 8 2HG2 THR 8 -8.637 -7.464 4.710 37 H GLY 9 H GLY 9 -9.492 -7.435 -0.370 38 HA2 GLY 9 1HA GLY 9 -7.809 -9.432 -1.549 39 HA3 GLY 9 2HA GLY 9 -9.406 -9.400 -2.281 40 H GLU 10 H GLU 10 -9.084 -8.512 -4.231 41 HA GLU 10 HA GLU 10 -7.162 -6.545 -4.824 42 HB2 GLU 10 1HB GLU 10 -8.362 -6.291 -6.960 43 HB3 GLU 10 2HB GLU 10 -8.094 -7.980 -6.552 44 HG2 GLU 10 1HG GLU 10 -10.260 -8.063 -7.245 45 HG3 GLU 10 2HG GLU 10 -10.493 -7.791 -5.519 46 H LYS 11 H LYS 11 -7.510 -4.334 -5.483 47 HA LYS 11 HA LYS 11 -9.843 -3.063 -4.217 48 HB2 LYS 11 1HB LYS 11 -6.967 -2.142 -4.074 49 HB3 LYS 11 2HB LYS 11 -8.344 -1.190 -3.535 50 HG2 LYS 11 1HG LYS 11 -8.825 -3.356 -2.101 51 HG3 LYS 11 2HG LYS 11 -7.087 -3.580 -2.307 52 HD2 LYS 11 1HD LYS 11 -6.619 -1.473 -1.294 53 HD3 LYS 11 2HD LYS 11 -8.325 -1.019 -1.311 54 HE2 LYS 11 1HE LYS 11 -7.178 -3.331 0.250 55 HE3 LYS 11 2HE LYS 11 -7.501 -1.733 0.921 56 HZ1 LYS 11 3HZ LYS 11 -9.424 -2.799 1.453 57 HZ2 LYS 11 1HZ LYS 11 -9.384 -3.822 0.106 58 HZ3 LYS 11 2HZ LYS 11 -9.865 -2.210 -0.071 59 HA PRO 12 HA PRO 12 -10.384 -0.895 -7.998 60 HB2 PRO 12 1HB PRO 12 -11.515 1.406 -7.104 61 HB3 PRO 12 2HB PRO 12 -12.374 -0.139 -7.132 62 HG2 PRO 12 1HG PRO 12 -11.010 1.228 -4.845 63 HG3 PRO 12 2HG PRO 12 -12.576 0.396 -4.878 64 HD2 PRO 12 1HD PRO 12 -10.330 -0.761 -3.902 65 HD3 PRO 12 2HD PRO 12 -11.611 -1.691 -4.706 66 H TYR 13 H TYR 13 -8.118 -0.001 -5.737 67 HA TYR 13 HA TYR 13 -6.815 1.781 -7.618 68 HB2 TYR 13 1HB TYR 13 -7.246 2.714 -4.780 69 HB3 TYR 13 2HB TYR 13 -6.540 3.619 -6.114 70 HD1 TYR 13 HD2 TYR 13 -8.025 4.315 -8.028 71 HD2 TYR 13 HD1 TYR 13 -9.576 2.720 -4.401 72 HE1 TYR 13 HE2 TYR 13 -10.236 5.245 -8.571 73 HE2 TYR 13 HE1 TYR 13 -11.792 3.644 -4.936 74 HH TYR 13 HH TYR 13 -12.348 5.978 -7.055 75 H ILE 14 H ILE 14 -4.853 0.948 -7.802 76 HA ILE 14 HA ILE 14 -3.361 0.275 -5.373 77 HB ILE 14 HB ILE 14 -3.537 -1.549 -7.774 78 HG12 ILE 14 1HG1 ILE 14 -4.281 -2.356 -4.994 79 HG13 ILE 14 2HG1 ILE 14 -5.429 -1.405 -5.930 80 HG21 ILE 14 1HG2 ILE 14 -1.296 -1.387 -6.665 81 HG22 ILE 14 2HG2 ILE 14 -2.052 -1.999 -5.195 82 HG23 ILE 14 3HG2 ILE 14 -2.016 -2.996 -6.649 83 HD11 ILE 14 3HD1 ILE 14 -4.363 -3.623 -7.452 84 HD12 ILE 14 1HD1 ILE 14 -5.148 -4.146 -5.962 85 HD13 ILE 14 2HD1 ILE 14 -6.036 -3.167 -7.130 86 H CYS 15 H CYS 15 -1.174 0.642 -5.489 87 HA CYS 15 HA CYS 15 -0.292 2.369 -7.617 88 HB2 CYS 15 1HB CYS 15 0.499 3.036 -5.517 89 HB3 CYS 15 2HB CYS 15 0.918 1.392 -5.047 90 H ALA 16 H ALA 16 1.737 2.032 -8.780 91 HA ALA 16 HA ALA 16 2.083 -0.803 -9.491 92 HB1 ALA 16 3HB ALA 16 1.422 0.233 -11.442 93 HB2 ALA 16 1HB ALA 16 2.284 1.726 -11.067 94 HB3 ALA 16 2HB ALA 16 3.179 0.296 -11.584 95 H GLU 17 H GLU 17 3.812 2.178 -8.731 96 HA GLU 17 HA GLU 17 6.417 1.485 -9.179 97 HB2 GLU 17 1HB GLU 17 5.086 3.177 -7.114 98 HB3 GLU 17 2HB GLU 17 6.797 2.825 -6.922 99 HG2 GLU 17 1HG GLU 17 6.338 4.958 -8.082 100 HG3 GLU 17 2HG GLU 17 7.313 3.832 -9.025 101 H CYS 18 H CYS 18 4.678 0.924 -6.114 102 HA CYS 18 HA CYS 18 6.647 -1.172 -5.483 103 HB2 CYS 18 1HB CYS 18 5.934 -0.870 -3.124 104 HB3 CYS 18 2HB CYS 18 6.614 0.595 -3.825 105 H GLY 19 H GLY 19 3.187 -0.402 -5.439 106 HA2 GLY 19 1HA GLY 19 1.661 -2.113 -6.289 107 HA3 GLY 19 2HA GLY 19 2.653 -3.307 -5.465 108 H LYS 20 H LYS 20 1.696 -0.227 -4.078 109 HA LYS 20 HA LYS 20 0.582 -1.557 -1.787 110 HB2 LYS 20 1HB LYS 20 1.864 0.719 -1.932 111 HB3 LYS 20 2HB LYS 20 0.277 1.380 -2.305 112 HG2 LYS 20 1HG LYS 20 0.260 1.648 -0.055 113 HG3 LYS 20 2HG LYS 20 -0.395 0.011 -0.141 114 HD2 LYS 20 1HD LYS 20 2.560 0.392 0.036 115 HD3 LYS 20 2HD LYS 20 1.579 0.578 1.491 116 HE2 LYS 20 1HE LYS 20 2.015 -1.653 1.628 117 HE3 LYS 20 2HE LYS 20 0.554 -1.713 0.643 118 HZ1 LYS 20 3HZ LYS 20 1.759 -2.842 -0.820 119 HZ2 LYS 20 1HZ LYS 20 3.211 -2.506 -0.018 120 HZ3 LYS 20 2HZ LYS 20 2.598 -1.412 -1.153 121 H ALA 21 H ALA 21 -1.519 -1.836 -1.247 122 HA ALA 21 HA ALA 21 -3.502 -1.211 -3.311 123 HB1 ALA 21 3HB ALA 21 -3.604 -3.482 -2.792 124 HB2 ALA 21 1HB ALA 21 -3.424 -3.193 -1.062 125 HB3 ALA 21 2HB ALA 21 -4.936 -2.782 -1.873 126 H PHE 22 H PHE 22 -4.968 0.339 -3.044 127 HA PHE 22 HA PHE 22 -5.513 1.307 -0.318 128 HB2 PHE 22 1HB PHE 22 -4.982 2.917 -2.812 129 HB3 PHE 22 2HB PHE 22 -5.794 3.600 -1.407 130 HD1 PHE 22 HD1 PHE 22 -4.572 3.623 0.798 131 HD2 PHE 22 HD2 PHE 22 -2.652 2.755 -2.900 132 HE1 PHE 22 HE1 PHE 22 -2.390 4.124 1.818 133 HE2 PHE 22 HE2 PHE 22 -0.467 3.253 -1.886 134 HZ PHE 22 HZ PHE 22 -0.333 3.938 0.476 135 H THR 23 H THR 23 -7.565 2.638 -0.240 136 HA THR 23 HA THR 23 -9.604 1.334 -1.918 137 HB THR 23 HB THR 23 -10.007 2.602 0.797 138 HG1 THR 23 HG1 THR 23 -8.790 0.372 0.311 139 HG21 THR 23 3HG2 THR 23 -11.862 0.605 -0.392 140 HG22 THR 23 1HG2 THR 23 -11.907 2.250 -1.025 141 HG23 THR 23 2HG2 THR 23 -12.199 1.956 0.690 142 H ILE 24 H ILE 24 -8.629 4.413 -0.476 143 HA ILE 24 HA ILE 24 -10.605 5.812 -2.128 144 HB ILE 24 HB ILE 24 -8.825 7.042 -0.031 145 HG12 ILE 24 1HG1 ILE 24 -11.649 6.019 0.326 146 HG13 ILE 24 2HG1 ILE 24 -10.209 5.203 0.925 147 HG21 ILE 24 1HG2 ILE 24 -10.817 8.661 0.008 148 HG22 ILE 24 2HG2 ILE 24 -9.708 8.740 -1.360 149 HG23 ILE 24 3HG2 ILE 24 -11.263 7.926 -1.532 150 HD11 ILE 24 3HD1 ILE 24 -9.838 7.604 2.033 151 HD12 ILE 24 1HD1 ILE 24 -11.599 7.594 1.942 152 HD13 ILE 24 2HD1 ILE 24 -10.752 6.311 2.808 153 H ARG 25 H ARG 25 -9.983 6.594 -4.021 154 HA ARG 25 HA ARG 25 -7.546 6.488 -5.192 155 HB2 ARG 25 1HB ARG 25 -9.535 7.139 -6.421 156 HB3 ARG 25 2HB ARG 25 -9.620 8.658 -5.540 157 HG2 ARG 25 1HG ARG 25 -7.556 9.404 -6.561 158 HG3 ARG 25 2HG ARG 25 -7.386 7.856 -7.391 159 HD2 ARG 25 1HD ARG 25 -8.333 9.105 -9.057 160 HD3 ARG 25 2HD ARG 25 -9.783 8.455 -8.293 161 HE ARG 25 HE ARG 25 -8.879 11.205 -8.273 162 HH11 ARG 25 1HH1 ARG 25 -10.976 8.810 -6.862 163 HH12 ARG 25 2HH1 ARG 25 -12.082 9.974 -6.210 164 HH21 ARG 25 1HH2 ARG 25 -10.328 12.746 -7.420 165 HH22 ARG 25 2HH2 ARG 25 -11.713 12.212 -6.529 166 H SER 26 H SER 26 -8.729 9.087 -3.107 167 HA SER 26 HA SER 26 -6.512 10.807 -3.437 168 HB2 SER 26 1HB SER 26 -8.600 10.553 -1.274 169 HB3 SER 26 2HB SER 26 -7.330 11.775 -1.215 170 HG SER 26 HG SER 26 -9.621 11.818 -2.586 171 H ASN 27 H ASN 27 -7.292 8.405 -0.936 172 HA ASN 27 HA ASN 27 -5.143 8.753 0.750 173 HB2 ASN 27 1HB ASN 27 -6.835 6.402 0.022 174 HB3 ASN 27 2HB ASN 27 -5.394 6.124 0.996 175 HD21 ASN 27 1HD2 ASN 27 -7.780 8.746 0.924 176 HD22 ASN 27 2HD2 ASN 27 -8.210 8.630 2.593 177 H LEU 28 H LEU 28 -5.172 7.500 -2.456 178 HA LEU 28 HA LEU 28 -2.551 6.261 -2.196 179 HB2 LEU 28 1HB LEU 28 -4.103 5.076 -3.554 180 HB3 LEU 28 2HB LEU 28 -4.490 6.524 -4.481 181 HG LEU 28 HG LEU 28 -2.142 6.471 -5.366 182 HD11 LEU 28 1HD1 LEU 28 -1.719 4.644 -3.360 183 HD12 LEU 28 2HD1 LEU 28 -0.646 4.947 -4.726 184 HD13 LEU 28 3HD1 LEU 28 -1.820 3.633 -4.802 185 HD21 LEU 28 3HD2 LEU 28 -3.823 5.722 -6.824 186 HD22 LEU 28 1HD2 LEU 28 -4.082 4.241 -5.903 187 HD23 LEU 28 2HD2 LEU 28 -2.604 4.447 -6.843 188 H ILE 29 H ILE 29 -3.975 9.229 -3.232 189 HA ILE 29 HA ILE 29 -2.018 10.159 -5.008 190 HB ILE 29 HB ILE 29 -3.810 11.694 -3.127 191 HG12 ILE 29 1HG1 ILE 29 -3.983 10.995 -6.062 192 HG13 ILE 29 2HG1 ILE 29 -5.064 10.470 -4.776 193 HG21 ILE 29 1HG2 ILE 29 -2.108 12.722 -5.393 194 HG22 ILE 29 2HG2 ILE 29 -3.304 13.662 -4.503 195 HG23 ILE 29 3HG2 ILE 29 -1.872 13.049 -3.677 196 HD11 ILE 29 3HD1 ILE 29 -6.225 12.140 -5.929 197 HD12 ILE 29 1HD1 ILE 29 -5.631 12.923 -4.465 198 HD13 ILE 29 2HD1 ILE 29 -4.811 13.191 -6.004 199 H LYS 30 H LYS 30 -2.227 10.330 -1.485 200 HA LYS 30 HA LYS 30 0.150 11.911 -1.209 201 HB2 LYS 30 1HB LYS 30 -0.162 11.699 1.135 202 HB3 LYS 30 2HB LYS 30 -1.769 11.840 0.436 203 HG2 LYS 30 1HG LYS 30 -1.953 9.354 0.545 204 HG3 LYS 30 2HG LYS 30 -0.426 9.339 1.431 205 HD2 LYS 30 1HD LYS 30 -1.356 10.209 3.319 206 HD3 LYS 30 2HD LYS 30 -2.552 11.151 2.426 207 HE2 LYS 30 1HE LYS 30 -3.930 9.570 3.310 208 HE3 LYS 30 2HE LYS 30 -3.457 8.728 1.835 209 HZ1 LYS 30 3HZ LYS 30 -1.560 7.831 3.337 210 HZ2 LYS 30 1HZ LYS 30 -3.100 7.135 3.425 211 HZ3 LYS 30 2HZ LYS 30 -2.603 8.241 4.604 212 H HIS 31 H HIS 31 -0.642 8.490 -1.096 213 HA HIS 31 HA HIS 31 1.643 7.441 0.045 214 HB2 HIS 31 1HB HIS 31 0.023 5.843 -0.374 215 HB3 HIS 31 2HB HIS 31 -0.289 6.434 -2.003 216 HD1 HIS 31 HD1 HIS 31 1.887 4.111 -0.074 217 HD2 HIS 31 HD2 HIS 31 1.442 5.429 -3.989 218 HE1 HIS 31 HE1 HIS 31 3.253 2.531 -1.475 219 H GLN 32 H GLN 32 1.123 8.544 -3.262 220 HA GLN 32 HA GLN 32 3.393 7.576 -4.499 221 HB2 GLN 32 1HB GLN 32 1.947 10.197 -4.889 222 HB3 GLN 32 2HB GLN 32 3.229 9.635 -5.953 223 HG2 GLN 32 1HG GLN 32 0.733 8.054 -5.412 224 HG3 GLN 32 2HG GLN 32 0.884 9.208 -6.736 225 HE21 GLN 32 1HE2 GLN 32 0.917 6.065 -6.119 226 HE22 GLN 32 2HE2 GLN 32 2.024 5.505 -7.321 227 H LYS 33 H LYS 33 3.187 9.810 -1.947 228 HA LYS 33 HA LYS 33 5.339 11.503 -2.340 229 HB2 LYS 33 1HB LYS 33 4.045 10.339 0.091 230 HB3 LYS 33 2HB LYS 33 5.537 11.251 0.276 231 HG2 LYS 33 1HG LYS 33 4.307 13.062 -1.112 232 HG3 LYS 33 2HG LYS 33 2.851 12.184 -0.638 233 HD2 LYS 33 1HD LYS 33 4.924 13.191 1.307 234 HD3 LYS 33 2HD LYS 33 3.461 14.080 0.876 235 HE2 LYS 33 1HE LYS 33 2.775 12.996 2.783 236 HE3 LYS 33 2HE LYS 33 2.270 11.849 1.543 237 HZ1 LYS 33 3HZ LYS 33 4.062 10.449 2.014 238 HZ2 LYS 33 1HZ LYS 33 3.502 10.927 3.537 239 HZ3 LYS 33 2HZ LYS 33 4.895 11.634 2.888 240 H ILE 34 H ILE 34 5.315 8.210 -1.036 241 HA ILE 34 HA ILE 34 8.068 8.102 -0.405 242 HB ILE 34 HB ILE 34 7.803 5.715 -0.221 243 HG12 ILE 34 1HG1 ILE 34 4.989 5.794 -1.213 244 HG13 ILE 34 2HG1 ILE 34 6.287 5.766 -2.402 245 HG21 ILE 34 1HG2 ILE 34 6.904 6.927 1.619 246 HG22 ILE 34 2HG2 ILE 34 5.412 7.269 0.744 247 HG23 ILE 34 3HG2 ILE 34 5.777 5.621 1.255 248 HD11 ILE 34 3HD1 ILE 34 6.928 3.646 -1.854 249 HD12 ILE 34 1HD1 ILE 34 6.331 3.773 -0.200 250 HD13 ILE 34 2HD1 ILE 34 5.196 3.554 -1.532 251 H HIS 35 H HIS 35 6.620 8.408 -3.357 252 HA HIS 35 HA HIS 35 8.765 6.949 -4.749 253 HB2 HIS 35 1HB HIS 35 6.089 7.887 -5.804 254 HB3 HIS 35 2HB HIS 35 7.309 7.029 -6.740 255 HD1 HIS 35 HD1 HIS 35 8.003 4.876 -4.568 256 HD2 HIS 35 HD2 HIS 35 4.170 5.926 -5.779 257 HE1 HIS 35 HE1 HIS 35 6.559 2.891 -4.023 258 H THR 36 H THR 36 8.768 9.699 -3.502 259 HA THR 36 HA THR 36 10.178 11.007 -5.634 260 HB THR 36 HB THR 36 8.143 11.859 -6.390 261 HG1 THR 36 HG1 THR 36 8.368 14.008 -5.993 262 HG21 THR 36 3HG2 THR 36 6.646 11.072 -4.706 263 HG22 THR 36 1HG2 THR 36 6.427 12.818 -4.819 264 HG23 THR 36 2HG2 THR 36 7.361 12.131 -3.490 265 H LYS 37 H LYS 37 11.694 12.383 -4.859 266 HA LYS 37 HA LYS 37 11.564 13.059 -1.993 267 HB2 LYS 37 1HB LYS 37 13.270 11.292 -2.652 268 HB3 LYS 37 2HB LYS 37 14.111 12.563 -3.531 269 HG2 LYS 37 1HG LYS 37 15.216 12.475 -1.493 270 HG3 LYS 37 2HG LYS 37 14.106 13.834 -1.303 271 HD2 LYS 37 1HD LYS 37 13.803 12.679 0.678 272 HD3 LYS 37 2HD LYS 37 12.496 12.041 -0.324 273 HE2 LYS 37 1HE LYS 37 15.184 10.706 -0.131 274 HE3 LYS 37 2HE LYS 37 13.873 10.354 0.994 275 HZ1 LYS 37 3HZ LYS 37 14.082 9.735 -1.867 276 HZ2 LYS 37 1HZ LYS 37 12.547 9.991 -1.203 277 HZ3 LYS 37 2HZ LYS 37 13.538 8.764 -0.593 278 H GLN 38 H GLN 38 11.582 15.163 -1.569 279 HA GLN 38 HA GLN 38 11.409 17.217 -3.288 280 HB2 GLN 38 1HB GLN 38 11.397 17.193 -0.687 281 HB3 GLN 38 2HB GLN 38 13.101 17.599 -0.840 282 HG2 GLN 38 1HG GLN 38 12.666 19.671 -1.748 283 HG3 GLN 38 2HG GLN 38 11.060 19.205 -2.304 284 HE21 GLN 38 1HE2 GLN 38 10.770 21.408 -1.221 285 HE22 GLN 38 2HE2 GLN 38 10.301 21.373 0.442 286 H LYS 39 H LYS 39 12.799 18.764 -4.223 287 HA LYS 39 HA LYS 39 15.653 18.158 -4.287 288 HB2 LYS 39 1HB LYS 39 13.780 17.910 -6.589 289 HB3 LYS 39 2HB LYS 39 15.366 18.604 -6.901 290 HG2 LYS 39 1HG LYS 39 16.476 16.644 -6.310 291 HG3 LYS 39 2HG LYS 39 15.076 16.002 -5.448 292 HD2 LYS 39 1HD LYS 39 13.928 15.541 -7.465 293 HD3 LYS 39 2HD LYS 39 15.065 16.499 -8.416 294 HE2 LYS 39 1HE LYS 39 15.794 13.986 -6.918 295 HE3 LYS 39 2HE LYS 39 15.368 14.031 -8.628 296 HZ1 LYS 39 3HZ LYS 39 17.371 14.808 -9.174 297 HZ2 LYS 39 1HZ LYS 39 17.864 14.310 -7.634 298 HZ3 LYS 39 2HZ LYS 39 17.412 15.918 -7.898 299 HA PRO 40 HA PRO 40 16.178 22.511 -4.428 300 HB2 PRO 40 1HB PRO 40 18.359 22.790 -6.021 301 HB3 PRO 40 2HB PRO 40 18.446 22.147 -4.376 302 HG2 PRO 40 1HG PRO 40 18.402 20.678 -6.985 303 HG3 PRO 40 2HG PRO 40 19.405 20.384 -5.552 304 HD2 PRO 40 1HD PRO 40 17.199 18.917 -6.112 305 HD3 PRO 40 2HD PRO 40 17.722 19.258 -4.450 306 H SER 41 H SER 41 15.040 20.851 -7.033 307 HA SER 41 HA SER 41 15.279 22.806 -9.096 308 HB2 SER 41 1HB SER 41 14.876 20.390 -9.535 309 HB3 SER 41 2HB SER 41 13.260 20.562 -8.849 310 HG SER 41 HG SER 41 14.296 21.565 -11.255 311 H GLY 42 H GLY 42 14.620 24.724 -7.954 312 HA2 GLY 42 1HA GLY 42 12.650 26.187 -8.392 313 HA3 GLY 42 2HA GLY 42 11.685 24.918 -7.652 314 HA PRO 43 HA PRO 43 13.596 28.056 -4.528 315 HB2 PRO 43 1HB PRO 43 11.728 30.026 -4.526 316 HB3 PRO 43 2HB PRO 43 13.161 30.063 -5.559 317 HG2 PRO 43 1HG PRO 43 10.359 29.258 -6.236 318 HG3 PRO 43 2HG PRO 43 11.495 30.247 -7.171 319 HD2 PRO 43 1HD PRO 43 11.052 27.632 -7.714 320 HD3 PRO 43 2HD PRO 43 12.627 28.409 -7.979 321 H SER 44 H SER 44 10.088 27.741 -5.124 322 HA SER 44 HA SER 44 9.687 27.210 -2.272 323 HB2 SER 44 1HB SER 44 8.296 28.910 -3.643 324 HB3 SER 44 2HB SER 44 7.482 27.491 -4.302 325 HG SER 44 HG SER 44 6.347 28.165 -2.509 326 H SER 45 H SER 45 7.665 25.627 -1.995 327 HA SER 45 HA SER 45 8.032 23.274 -3.706 328 HB2 SER 45 1HB SER 45 8.371 21.793 -1.882 329 HB3 SER 45 2HB SER 45 9.461 23.148 -1.593 330 HG SER 45 HG SER 45 8.400 22.740 0.309 331 H GLY 46 H GLY 46 6.152 22.423 -4.315 332 HA2 GLY 46 1HA GLY 46 3.856 22.272 -4.548 333 HA3 GLY 46 2HA GLY 46 3.957 21.775 -2.866 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -9.543 -24.392 -1.439 2 HA2 GLY 1 1HA GLY 1 -8.336 -24.652 1.143 3 HA3 GLY 1 2HA GLY 1 -7.226 -23.957 -0.030 4 H SER 2 H SER 2 -8.747 -22.925 2.418 5 HA SER 2 HA SER 2 -10.659 -21.049 1.671 6 HB2 SER 2 1HB SER 2 -9.822 -21.789 4.034 7 HB3 SER 2 2HB SER 2 -8.693 -20.446 3.858 8 HG SER 2 HG SER 2 -10.291 -19.252 4.494 9 H SER 3 H SER 3 -10.590 -18.897 1.085 10 HA SER 3 HA SER 3 -8.079 -18.041 -0.145 11 HB2 SER 3 1HB SER 3 -10.902 -16.987 -0.438 12 HB3 SER 3 2HB SER 3 -9.498 -16.343 -1.289 13 HG SER 3 HG SER 3 -9.467 -18.047 -2.562 14 H GLY 4 H GLY 4 -10.625 -16.758 1.988 15 HA2 GLY 4 1HA GLY 4 -9.612 -15.661 4.041 16 HA3 GLY 4 2HA GLY 4 -8.707 -14.699 2.881 17 H SER 5 H SER 5 -9.621 -12.805 3.815 18 HA SER 5 HA SER 5 -12.437 -12.370 3.867 19 HB2 SER 5 1HB SER 5 -10.026 -10.611 4.205 20 HB3 SER 5 2HB SER 5 -11.634 -9.899 4.078 21 HG SER 5 HG SER 5 -11.565 -10.260 6.174 22 H SER 6 H SER 6 -13.757 -11.346 2.431 23 HA SER 6 HA SER 6 -12.826 -11.208 -0.301 24 HB2 SER 6 1HB SER 6 -15.215 -10.682 -0.808 25 HB3 SER 6 2HB SER 6 -15.009 -12.178 0.102 26 HG SER 6 HG SER 6 -16.132 -11.341 1.660 27 H GLY 7 H GLY 7 -14.259 -8.946 2.046 28 HA2 GLY 7 1HA GLY 7 -13.747 -6.690 2.324 29 HA3 GLY 7 2HA GLY 7 -12.725 -6.773 0.896 30 H THR 8 H THR 8 -15.073 -5.023 1.922 31 HA THR 8 HA THR 8 -17.221 -5.296 0.137 32 HB THR 8 HB THR 8 -16.237 -2.704 1.340 33 HG1 THR 8 HG1 THR 8 -18.114 -4.534 2.453 34 HG21 THR 8 3HG2 THR 8 -19.045 -3.545 0.631 35 HG22 THR 8 1HG2 THR 8 -18.008 -2.612 -0.448 36 HG23 THR 8 2HG2 THR 8 -18.487 -1.942 1.112 37 H GLY 9 H GLY 9 -14.445 -3.051 -0.007 38 HA2 GLY 9 1HA GLY 9 -15.076 -2.032 -2.567 39 HA3 GLY 9 2HA GLY 9 -13.512 -1.919 -1.773 40 H GLU 10 H GLU 10 -13.394 -2.182 -4.397 41 HA GLU 10 HA GLU 10 -12.651 -5.004 -4.800 42 HB2 GLU 10 1HB GLU 10 -13.959 -3.101 -6.741 43 HB3 GLU 10 2HB GLU 10 -13.169 -4.587 -7.251 44 HG2 GLU 10 1HG GLU 10 -14.740 -5.932 -6.148 45 HG3 GLU 10 2HG GLU 10 -15.357 -4.579 -5.202 46 H LYS 11 H LYS 11 -10.903 -3.077 -3.785 47 HA LYS 11 HA LYS 11 -8.953 -1.920 -4.193 48 HB2 LYS 11 1HB LYS 11 -8.385 -4.253 -6.014 49 HB3 LYS 11 2HB LYS 11 -7.246 -3.343 -5.030 50 HG2 LYS 11 1HG LYS 11 -9.461 -4.964 -3.818 51 HG3 LYS 11 2HG LYS 11 -7.889 -5.659 -4.219 52 HD2 LYS 11 1HD LYS 11 -7.488 -5.058 -2.054 53 HD3 LYS 11 2HD LYS 11 -7.026 -3.555 -2.857 54 HE2 LYS 11 1HE LYS 11 -8.405 -2.838 -1.127 55 HE3 LYS 11 2HE LYS 11 -9.486 -2.873 -2.518 56 HZ1 LYS 11 3HZ LYS 11 -10.125 -5.167 -1.748 57 HZ2 LYS 11 1HZ LYS 11 -10.641 -3.891 -0.763 58 HZ3 LYS 11 2HZ LYS 11 -9.311 -4.830 -0.303 59 HA PRO 12 HA PRO 12 -10.336 -0.516 -8.487 60 HB2 PRO 12 1HB PRO 12 -11.306 1.905 -7.733 61 HB3 PRO 12 2HB PRO 12 -12.301 0.444 -7.783 62 HG2 PRO 12 1HG PRO 12 -10.974 1.754 -5.441 63 HG3 PRO 12 2HG PRO 12 -12.603 1.066 -5.562 64 HD2 PRO 12 1HD PRO 12 -10.546 -0.258 -4.402 65 HD3 PRO 12 2HD PRO 12 -11.850 -1.093 -5.271 66 H TYR 13 H TYR 13 -8.148 0.228 -6.105 67 HA TYR 13 HA TYR 13 -6.599 1.881 -7.931 68 HB2 TYR 13 1HB TYR 13 -7.164 2.780 -5.098 69 HB3 TYR 13 2HB TYR 13 -6.137 3.601 -6.268 70 HD1 TYR 13 HD2 TYR 13 -7.201 4.577 -8.339 71 HD2 TYR 13 HD1 TYR 13 -9.491 3.162 -5.044 72 HE1 TYR 13 HE2 TYR 13 -9.135 5.869 -9.137 73 HE2 TYR 13 HE1 TYR 13 -11.432 4.450 -5.833 74 HH TYR 13 HH TYR 13 -12.066 6.152 -7.237 75 H ILE 14 H ILE 14 -4.548 1.240 -7.942 76 HA ILE 14 HA ILE 14 -3.374 0.091 -5.520 77 HB ILE 14 HB ILE 14 -3.289 -1.272 -8.215 78 HG12 ILE 14 1HG1 ILE 14 -4.316 -2.542 -5.711 79 HG13 ILE 14 2HG1 ILE 14 -5.359 -1.420 -6.577 80 HG21 ILE 14 1HG2 ILE 14 -2.067 -3.052 -6.925 81 HG22 ILE 14 2HG2 ILE 14 -1.170 -1.557 -7.186 82 HG23 ILE 14 3HG2 ILE 14 -1.903 -1.883 -5.615 83 HD11 ILE 14 3HD1 ILE 14 -4.985 -4.139 -7.076 84 HD12 ILE 14 1HD1 ILE 14 -5.890 -2.979 -8.049 85 HD13 ILE 14 2HD1 ILE 14 -4.191 -3.293 -8.405 86 H CYS 15 H CYS 15 -1.398 0.859 -5.156 87 HA CYS 15 HA CYS 15 -0.201 2.838 -6.674 88 HB2 CYS 15 1HB CYS 15 0.454 2.595 -4.398 89 HB3 CYS 15 2HB CYS 15 0.961 0.928 -4.649 90 H ALA 16 H ALA 16 1.058 2.883 -8.429 91 HA ALA 16 HA ALA 16 1.835 0.317 -9.621 92 HB1 ALA 16 3HB ALA 16 1.764 1.333 -11.715 93 HB2 ALA 16 1HB ALA 16 0.415 2.071 -10.852 94 HB3 ALA 16 2HB ALA 16 1.930 2.954 -11.042 95 H GLU 17 H GLU 17 3.382 1.282 -7.469 96 HA GLU 17 HA GLU 17 5.928 1.746 -8.857 97 HB2 GLU 17 1HB GLU 17 4.732 3.336 -6.634 98 HB3 GLU 17 2HB GLU 17 6.472 3.088 -6.635 99 HG2 GLU 17 1HG GLU 17 4.996 4.171 -9.012 100 HG3 GLU 17 2HG GLU 17 5.619 5.201 -7.725 101 H CYS 18 H CYS 18 4.227 0.563 -6.016 102 HA CYS 18 HA CYS 18 6.530 -1.185 -5.449 103 HB2 CYS 18 1HB CYS 18 6.023 -1.066 -3.084 104 HB3 CYS 18 2HB CYS 18 6.226 0.566 -3.712 105 H GLY 19 H GLY 19 3.007 -0.820 -5.153 106 HA2 GLY 19 1HA GLY 19 1.702 -2.681 -6.160 107 HA3 GLY 19 2HA GLY 19 2.802 -3.765 -5.320 108 H LYS 20 H LYS 20 1.404 -0.813 -3.999 109 HA LYS 20 HA LYS 20 0.169 -2.428 -1.889 110 HB2 LYS 20 1HB LYS 20 1.757 -0.542 -1.329 111 HB3 LYS 20 2HB LYS 20 0.537 0.569 -1.940 112 HG2 LYS 20 1HG LYS 20 -1.035 -0.214 -0.249 113 HG3 LYS 20 2HG LYS 20 0.176 -1.346 0.358 114 HD2 LYS 20 1HD LYS 20 1.573 0.408 1.112 115 HD3 LYS 20 2HD LYS 20 0.656 1.622 0.217 116 HE2 LYS 20 1HE LYS 20 -1.267 1.251 1.668 117 HE3 LYS 20 2HE LYS 20 -0.381 0.004 2.544 118 HZ1 LYS 20 3HZ LYS 20 -0.410 2.211 3.648 119 HZ2 LYS 20 1HZ LYS 20 0.500 2.832 2.364 120 HZ3 LYS 20 2HZ LYS 20 1.147 1.620 3.350 121 H ALA 21 H ALA 21 -1.990 -2.428 -1.491 122 HA ALA 21 HA ALA 21 -3.690 -1.224 -3.537 123 HB1 ALA 21 3HB ALA 21 -3.770 -3.638 -2.009 124 HB2 ALA 21 1HB ALA 21 -5.251 -2.720 -1.735 125 HB3 ALA 21 2HB ALA 21 -4.772 -3.153 -3.376 126 H PHE 22 H PHE 22 -5.532 0.027 -3.025 127 HA PHE 22 HA PHE 22 -5.713 1.066 -0.296 128 HB2 PHE 22 1HB PHE 22 -5.115 2.662 -2.763 129 HB3 PHE 22 2HB PHE 22 -6.024 3.395 -1.445 130 HD1 PHE 22 HD2 PHE 22 -2.794 1.944 -2.424 131 HD2 PHE 22 HD1 PHE 22 -4.967 4.000 0.604 132 HE1 PHE 22 HE2 PHE 22 -0.687 2.449 -1.260 133 HE2 PHE 22 HE1 PHE 22 -2.863 4.509 1.773 134 HZ PHE 22 HZ PHE 22 -0.719 3.732 0.842 135 H THR 23 H THR 23 -7.678 2.564 -0.112 136 HA THR 23 HA THR 23 -9.898 1.306 -1.574 137 HB THR 23 HB THR 23 -10.054 2.846 1.022 138 HG1 THR 23 HG1 THR 23 -8.847 0.896 1.256 139 HG21 THR 23 3HG2 THR 23 -12.223 2.854 0.354 140 HG22 THR 23 1HG2 THR 23 -12.191 1.216 1.005 141 HG23 THR 23 2HG2 THR 23 -12.008 1.479 -0.729 142 H ILE 24 H ILE 24 -8.747 4.444 -0.376 143 HA ILE 24 HA ILE 24 -10.604 5.773 -2.228 144 HB ILE 24 HB ILE 24 -9.050 7.193 -0.088 145 HG12 ILE 24 1HG1 ILE 24 -11.757 5.882 0.248 146 HG13 ILE 24 2HG1 ILE 24 -10.258 5.311 0.974 147 HG21 ILE 24 1HG2 ILE 24 -11.628 7.744 -1.546 148 HG22 ILE 24 2HG2 ILE 24 -11.027 8.709 -0.199 149 HG23 ILE 24 3HG2 ILE 24 -10.103 8.616 -1.697 150 HD11 ILE 24 3HD1 ILE 24 -10.512 8.015 1.688 151 HD12 ILE 24 1HD1 ILE 24 -12.093 7.273 1.929 152 HD13 ILE 24 2HD1 ILE 24 -10.670 6.595 2.721 153 H ARG 25 H ARG 25 -9.709 6.245 -4.122 154 HA ARG 25 HA ARG 25 -7.165 6.177 -4.961 155 HB2 ARG 25 1HB ARG 25 -7.816 7.346 -6.823 156 HB3 ARG 25 2HB ARG 25 -9.394 6.943 -6.160 157 HG2 ARG 25 1HG ARG 25 -9.251 9.216 -4.974 158 HG3 ARG 25 2HG ARG 25 -7.953 9.565 -6.118 159 HD2 ARG 25 1HD ARG 25 -9.381 9.422 -7.961 160 HD3 ARG 25 2HD ARG 25 -10.613 8.548 -7.052 161 HE ARG 25 HE ARG 25 -10.493 10.943 -5.796 162 HH11 ARG 25 1HH1 ARG 25 -10.898 9.995 -9.122 163 HH12 ARG 25 2HH1 ARG 25 -11.856 11.378 -9.535 164 HH21 ARG 25 1HH2 ARG 25 -11.752 12.768 -6.329 165 HH22 ARG 25 2HH2 ARG 25 -12.340 12.955 -7.946 166 H SER 26 H SER 26 -8.631 8.872 -3.214 167 HA SER 26 HA SER 26 -6.519 10.696 -3.431 168 HB2 SER 26 1HB SER 26 -8.793 10.330 -1.525 169 HB3 SER 26 2HB SER 26 -7.514 11.468 -1.103 170 HG SER 26 HG SER 26 -7.909 12.304 -3.340 171 H ASN 27 H ASN 27 -7.269 8.449 -0.766 172 HA ASN 27 HA ASN 27 -5.180 8.941 0.917 173 HB2 ASN 27 1HB ASN 27 -6.476 6.310 0.198 174 HB3 ASN 27 2HB ASN 27 -5.303 6.469 1.503 175 HD21 ASN 27 1HD2 ASN 27 -7.497 5.538 2.393 176 HD22 ASN 27 2HD2 ASN 27 -8.502 6.719 3.153 177 H LEU 28 H LEU 28 -5.098 7.222 -2.130 178 HA LEU 28 HA LEU 28 -2.429 6.222 -1.780 179 HB2 LEU 28 1HB LEU 28 -3.847 4.967 -3.194 180 HB3 LEU 28 2HB LEU 28 -4.295 6.392 -4.129 181 HG LEU 28 HG LEU 28 -1.772 6.419 -4.784 182 HD11 LEU 28 1HD1 LEU 28 -2.009 3.945 -3.294 183 HD12 LEU 28 2HD1 LEU 28 -0.570 4.788 -3.866 184 HD13 LEU 28 3HD1 LEU 28 -1.426 3.680 -4.937 185 HD21 LEU 28 3HD2 LEU 28 -2.924 4.154 -6.174 186 HD22 LEU 28 1HD2 LEU 28 -2.555 5.775 -6.765 187 HD23 LEU 28 2HD2 LEU 28 -4.092 5.460 -5.959 188 H ILE 29 H ILE 29 -3.914 9.042 -3.236 189 HA ILE 29 HA ILE 29 -1.942 10.028 -4.853 190 HB ILE 29 HB ILE 29 -3.633 11.629 -2.929 191 HG12 ILE 29 1HG1 ILE 29 -4.908 10.188 -4.498 192 HG13 ILE 29 2HG1 ILE 29 -5.163 11.904 -4.796 193 HG21 ILE 29 1HG2 ILE 29 -1.743 12.927 -3.733 194 HG22 ILE 29 2HG2 ILE 29 -2.136 12.499 -5.398 195 HG23 ILE 29 3HG2 ILE 29 -3.241 13.505 -4.462 196 HD11 ILE 29 3HD1 ILE 29 -3.701 11.843 -6.694 197 HD12 ILE 29 1HD1 ILE 29 -3.259 10.171 -6.350 198 HD13 ILE 29 2HD1 ILE 29 -4.904 10.564 -6.851 199 H LYS 30 H LYS 30 -2.145 10.311 -1.326 200 HA LYS 30 HA LYS 30 0.160 11.914 -1.008 201 HB2 LYS 30 1HB LYS 30 -1.755 11.367 0.668 202 HB3 LYS 30 2HB LYS 30 -0.772 9.967 1.079 203 HG2 LYS 30 1HG LYS 30 1.126 11.675 1.416 204 HG3 LYS 30 2HG LYS 30 -0.170 12.872 1.466 205 HD2 LYS 30 1HD LYS 30 -1.165 11.845 3.358 206 HD3 LYS 30 2HD LYS 30 -0.153 10.408 3.196 207 HE2 LYS 30 1HE LYS 30 0.892 11.537 4.917 208 HE3 LYS 30 2HE LYS 30 1.810 12.084 3.515 209 HZ1 LYS 30 3HZ LYS 30 -0.026 13.564 5.225 210 HZ2 LYS 30 1HZ LYS 30 -0.066 13.939 3.575 211 HZ3 LYS 30 2HZ LYS 30 1.380 14.083 4.440 212 H HIS 31 H HIS 31 -0.341 8.404 -0.767 213 HA HIS 31 HA HIS 31 2.108 7.535 0.042 214 HB2 HIS 31 1HB HIS 31 0.239 6.024 -0.430 215 HB3 HIS 31 2HB HIS 31 0.421 6.319 -2.156 216 HD1 HIS 31 HD1 HIS 31 2.656 5.060 0.665 217 HD2 HIS 31 HD2 HIS 31 1.844 4.368 -3.351 218 HE1 HIS 31 HE1 HIS 31 4.122 3.126 0.006 219 H GLN 32 H GLN 32 1.205 8.105 -3.362 220 HA GLN 32 HA GLN 32 3.482 7.540 -4.681 221 HB2 GLN 32 1HB GLN 32 1.670 9.922 -5.047 222 HB3 GLN 32 2HB GLN 32 2.965 9.535 -6.171 223 HG2 GLN 32 1HG GLN 32 0.805 7.576 -5.465 224 HG3 GLN 32 2HG GLN 32 0.646 8.739 -6.781 225 HE21 GLN 32 1HE2 GLN 32 0.570 7.212 -8.387 226 HE22 GLN 32 2HE2 GLN 32 1.931 6.249 -8.838 227 H LYS 33 H LYS 33 3.011 10.207 -2.486 228 HA LYS 33 HA LYS 33 5.037 11.933 -3.085 229 HB2 LYS 33 1HB LYS 33 4.149 10.967 -0.364 230 HB3 LYS 33 2HB LYS 33 5.218 12.342 -0.611 231 HG2 LYS 33 1HG LYS 33 2.565 12.264 -1.975 232 HG3 LYS 33 2HG LYS 33 2.673 12.717 -0.272 233 HD2 LYS 33 1HD LYS 33 4.462 14.384 -1.007 234 HD3 LYS 33 2HD LYS 33 3.905 14.076 -2.654 235 HE2 LYS 33 1HE LYS 33 2.709 15.970 -1.962 236 HE3 LYS 33 2HE LYS 33 1.573 14.634 -1.786 237 HZ1 LYS 33 3HZ LYS 33 1.359 15.832 0.176 238 HZ2 LYS 33 1HZ LYS 33 3.022 16.105 0.324 239 HZ3 LYS 33 2HZ LYS 33 2.389 14.564 0.615 240 H ILE 34 H ILE 34 5.340 8.985 -1.112 241 HA ILE 34 HA ILE 34 8.140 9.220 -0.739 242 HB ILE 34 HB ILE 34 8.084 6.960 0.100 243 HG12 ILE 34 1HG1 ILE 34 5.196 6.624 -0.572 244 HG13 ILE 34 2HG1 ILE 34 6.382 6.333 -1.839 245 HG21 ILE 34 1HG2 ILE 34 5.805 8.743 0.864 246 HG22 ILE 34 2HG2 ILE 34 6.039 7.190 1.664 247 HG23 ILE 34 3HG2 ILE 34 7.305 8.415 1.731 248 HD11 ILE 34 3HD1 ILE 34 7.149 5.015 0.600 249 HD12 ILE 34 1HD1 ILE 34 5.520 4.550 0.109 250 HD13 ILE 34 2HD1 ILE 34 6.870 4.343 -1.007 251 H HIS 35 H HIS 35 6.234 8.188 -3.380 252 HA HIS 35 HA HIS 35 8.404 6.641 -4.573 253 HB2 HIS 35 1HB HIS 35 5.509 7.057 -5.248 254 HB3 HIS 35 2HB HIS 35 6.621 6.437 -6.465 255 HD1 HIS 35 HD1 HIS 35 8.259 4.446 -4.920 256 HD2 HIS 35 HD2 HIS 35 4.161 4.878 -4.387 257 HE1 HIS 35 HE1 HIS 35 7.473 2.263 -3.952 258 H THR 36 H THR 36 8.374 9.638 -4.154 259 HA THR 36 HA THR 36 8.317 10.711 -6.840 260 HB THR 36 HB THR 36 9.172 12.807 -5.705 261 HG1 THR 36 HG1 THR 36 10.070 12.195 -3.829 262 HG21 THR 36 3HG2 THR 36 6.874 12.793 -6.103 263 HG22 THR 36 1HG2 THR 36 6.977 13.090 -4.368 264 HG23 THR 36 2HG2 THR 36 6.587 11.477 -4.965 265 H LYS 37 H LYS 37 10.716 9.729 -4.465 266 HA LYS 37 HA LYS 37 12.925 10.660 -6.091 267 HB2 LYS 37 1HB LYS 37 14.291 9.484 -4.290 268 HB3 LYS 37 2HB LYS 37 13.311 10.849 -3.771 269 HG2 LYS 37 1HG LYS 37 11.884 9.549 -2.563 270 HG3 LYS 37 2HG LYS 37 12.117 8.138 -3.597 271 HD2 LYS 37 1HD LYS 37 14.348 9.171 -1.882 272 HD3 LYS 37 2HD LYS 37 13.106 8.112 -1.209 273 HE2 LYS 37 1HE LYS 37 14.632 7.406 -3.699 274 HE3 LYS 37 2HE LYS 37 15.238 7.016 -2.090 275 HZ1 LYS 37 3HZ LYS 37 12.629 6.133 -3.203 276 HZ2 LYS 37 1HZ LYS 37 13.239 5.738 -1.675 277 HZ3 LYS 37 2HZ LYS 37 14.013 5.170 -3.068 278 H GLN 38 H GLN 38 12.906 9.500 -7.986 279 HA GLN 38 HA GLN 38 12.459 6.754 -8.245 280 HB2 GLN 38 1HB GLN 38 13.900 8.773 -9.936 281 HB3 GLN 38 2HB GLN 38 13.885 7.074 -10.390 282 HG2 GLN 38 1HG GLN 38 12.077 7.780 -11.556 283 HG3 GLN 38 2HG GLN 38 11.287 7.370 -10.035 284 HE21 GLN 38 1HE2 GLN 38 13.135 10.147 -11.255 285 HE22 GLN 38 2HE2 GLN 38 11.968 11.338 -10.803 286 H LYS 39 H LYS 39 13.550 5.349 -6.995 287 HA LYS 39 HA LYS 39 16.373 4.992 -7.504 288 HB2 LYS 39 1HB LYS 39 16.077 6.646 -5.538 289 HB3 LYS 39 2HB LYS 39 15.544 5.241 -4.624 290 HG2 LYS 39 1HG LYS 39 17.784 5.344 -4.106 291 HG3 LYS 39 2HG LYS 39 17.766 4.183 -5.435 292 HD2 LYS 39 1HD LYS 39 18.174 6.237 -6.940 293 HD3 LYS 39 2HD LYS 39 18.639 7.053 -5.445 294 HE2 LYS 39 1HE LYS 39 20.668 6.250 -6.190 295 HE3 LYS 39 2HE LYS 39 20.154 4.962 -5.101 296 HZ1 LYS 39 3HZ LYS 39 19.340 4.721 -7.888 297 HZ2 LYS 39 1HZ LYS 39 19.839 3.527 -6.798 298 HZ3 LYS 39 2HZ LYS 39 20.987 4.506 -7.563 299 HA PRO 40 HA PRO 40 14.896 0.828 -7.187 300 HB2 PRO 40 1HB PRO 40 17.306 -0.397 -7.434 301 HB3 PRO 40 2HB PRO 40 16.452 0.327 -8.802 302 HG2 PRO 40 1HG PRO 40 18.700 1.441 -7.168 303 HG3 PRO 40 2HG PRO 40 18.467 1.481 -8.926 304 HD2 PRO 40 1HD PRO 40 17.911 3.601 -7.334 305 HD3 PRO 40 2HD PRO 40 16.999 3.255 -8.818 306 H SER 41 H SER 41 14.217 0.866 -5.003 307 HA SER 41 HA SER 41 16.220 0.371 -2.941 308 HB2 SER 41 1HB SER 41 13.235 0.843 -2.782 309 HB3 SER 41 2HB SER 41 14.265 0.546 -1.381 310 HG SER 41 HG SER 41 14.236 2.757 -3.128 311 H GLY 42 H GLY 42 13.273 -1.156 -4.229 312 HA2 GLY 42 1HA GLY 42 13.565 -3.606 -4.684 313 HA3 GLY 42 2HA GLY 42 14.209 -3.700 -3.052 314 HA PRO 43 HA PRO 43 9.494 -2.737 -2.560 315 HB2 PRO 43 1HB PRO 43 7.992 -2.826 -4.820 316 HB3 PRO 43 2HB PRO 43 8.761 -1.346 -4.235 317 HG2 PRO 43 1HG PRO 43 9.665 -3.232 -6.377 318 HG3 PRO 43 2HG PRO 43 9.670 -1.458 -6.372 319 HD2 PRO 43 1HD PRO 43 11.893 -2.923 -5.878 320 HD3 PRO 43 2HD PRO 43 11.604 -1.342 -5.124 321 H SER 44 H SER 44 9.290 -4.694 -1.563 322 HA SER 44 HA SER 44 7.851 -6.749 -2.943 323 HB2 SER 44 1HB SER 44 10.438 -7.055 -3.391 324 HB3 SER 44 2HB SER 44 10.414 -7.749 -1.770 325 HG SER 44 HG SER 44 8.454 -8.607 -3.550 326 H SER 45 H SER 45 6.344 -7.230 -1.502 327 HA SER 45 HA SER 45 7.003 -7.136 1.353 328 HB2 SER 45 1HB SER 45 4.617 -6.991 1.753 329 HB3 SER 45 2HB SER 45 5.059 -5.809 0.521 330 HG SER 45 HG SER 45 4.350 -7.361 -1.049 331 H GLY 46 H GLY 46 6.547 -8.849 2.749 332 HA2 GLY 46 1HA GLY 46 6.276 -11.453 1.390 333 HA3 GLY 46 2HA GLY 46 7.110 -11.197 2.916 Start of MODEL 15 1 H1 GLY 1 H GLY 1 3.447 -14.464 -8.607 2 HA2 GLY 1 1HA GLY 1 1.946 -16.729 -7.444 3 HA3 GLY 1 2HA GLY 1 2.227 -15.217 -6.595 4 H SER 2 H SER 2 0.051 -16.950 -8.431 5 HA SER 2 HA SER 2 -1.533 -14.520 -8.934 6 HB2 SER 2 1HB SER 2 -1.377 -16.955 -10.729 7 HB3 SER 2 2HB SER 2 -2.423 -15.557 -10.982 8 HG SER 2 HG SER 2 -0.770 -14.436 -11.682 9 H SER 3 H SER 3 -2.551 -14.930 -6.905 10 HA SER 3 HA SER 3 -4.935 -16.433 -7.110 11 HB2 SER 3 1HB SER 3 -3.222 -18.264 -6.699 12 HB3 SER 3 2HB SER 3 -2.981 -17.561 -5.100 13 HG SER 3 HG SER 3 -4.648 -19.342 -5.490 14 H GLY 4 H GLY 4 -6.053 -16.553 -4.871 15 HA2 GLY 4 1HA GLY 4 -5.240 -14.254 -3.215 16 HA3 GLY 4 2HA GLY 4 -6.888 -14.372 -3.813 17 H SER 5 H SER 5 -6.099 -14.229 -1.073 18 HA SER 5 HA SER 5 -6.468 -16.920 -0.023 19 HB2 SER 5 1HB SER 5 -6.068 -15.915 2.167 20 HB3 SER 5 2HB SER 5 -4.817 -15.405 1.033 21 HG SER 5 HG SER 5 -7.110 -13.821 1.362 22 H SER 6 H SER 6 -8.483 -14.737 -1.272 23 HA SER 6 HA SER 6 -10.788 -15.834 -0.013 24 HB2 SER 6 1HB SER 6 -11.666 -13.786 1.004 25 HB3 SER 6 2HB SER 6 -10.131 -14.233 1.748 26 HG SER 6 HG SER 6 -10.114 -12.037 1.290 27 H GLY 7 H GLY 7 -12.132 -16.041 -1.668 28 HA2 GLY 7 1HA GLY 7 -11.887 -14.346 -3.999 29 HA3 GLY 7 2HA GLY 7 -12.967 -15.719 -3.813 30 H THR 8 H THR 8 -12.525 -12.507 -2.323 31 HA THR 8 HA THR 8 -15.449 -12.166 -2.452 32 HB THR 8 HB THR 8 -15.176 -10.489 -0.639 33 HG1 THR 8 HG1 THR 8 -13.190 -9.814 -0.358 34 HG21 THR 8 3HG2 THR 8 -15.820 -12.348 0.454 35 HG22 THR 8 1HG2 THR 8 -14.146 -12.410 1.003 36 HG23 THR 8 2HG2 THR 8 -14.654 -13.365 -0.390 37 H GLY 9 H GLY 9 -12.427 -10.266 -2.562 38 HA2 GLY 9 1HA GLY 9 -12.814 -9.020 -4.977 39 HA3 GLY 9 2HA GLY 9 -13.697 -8.031 -3.824 40 H GLU 10 H GLU 10 -11.680 -6.870 -5.184 41 HA GLU 10 HA GLU 10 -9.672 -6.478 -3.080 42 HB2 GLU 10 1HB GLU 10 -7.859 -6.465 -4.623 43 HB3 GLU 10 2HB GLU 10 -8.773 -7.935 -4.927 44 HG2 GLU 10 1HG GLU 10 -9.816 -6.937 -6.860 45 HG3 GLU 10 2HG GLU 10 -9.020 -5.400 -6.529 46 H LYS 11 H LYS 11 -8.444 -4.417 -3.390 47 HA LYS 11 HA LYS 11 -10.290 -2.278 -3.839 48 HB2 LYS 11 1HB LYS 11 -7.458 -2.506 -2.924 49 HB3 LYS 11 2HB LYS 11 -8.027 -0.941 -3.491 50 HG2 LYS 11 1HG LYS 11 -9.436 -0.654 -1.725 51 HG3 LYS 11 2HG LYS 11 -9.690 -2.386 -1.502 52 HD2 LYS 11 1HD LYS 11 -7.190 -2.409 -0.809 53 HD3 LYS 11 2HD LYS 11 -7.412 -0.672 -0.583 54 HE2 LYS 11 1HE LYS 11 -9.528 -1.456 0.771 55 HE3 LYS 11 2HE LYS 11 -8.615 -2.958 0.906 56 HZ1 LYS 11 3HZ LYS 11 -6.868 -1.856 2.007 57 HZ2 LYS 11 1HZ LYS 11 -8.286 -1.301 2.744 58 HZ3 LYS 11 2HZ LYS 11 -7.473 -0.322 1.630 59 HA PRO 12 HA PRO 12 -9.453 -1.634 -8.132 60 HB2 PRO 12 1HB PRO 12 -10.579 0.827 -8.348 61 HB3 PRO 12 2HB PRO 12 -11.530 -0.658 -8.224 62 HG2 PRO 12 1HG PRO 12 -10.835 1.330 -6.096 63 HG3 PRO 12 2HG PRO 12 -12.382 0.523 -6.411 64 HD2 PRO 12 1HD PRO 12 -10.686 -0.288 -4.462 65 HD3 PRO 12 2HD PRO 12 -11.730 -1.417 -5.350 66 H TYR 13 H TYR 13 -8.346 0.444 -5.586 67 HA TYR 13 HA TYR 13 -6.552 1.872 -7.411 68 HB2 TYR 13 1HB TYR 13 -6.948 2.385 -4.462 69 HB3 TYR 13 2HB TYR 13 -6.200 3.451 -5.645 70 HD1 TYR 13 HD1 TYR 13 -9.384 2.105 -4.398 71 HD2 TYR 13 HD2 TYR 13 -7.541 4.810 -7.116 72 HE1 TYR 13 HE1 TYR 13 -11.558 3.188 -4.785 73 HE2 TYR 13 HE2 TYR 13 -9.709 5.901 -7.510 74 HH TYR 13 HH TYR 13 -12.237 5.710 -5.607 75 H ILE 14 H ILE 14 -4.701 0.844 -7.784 76 HA ILE 14 HA ILE 14 -3.239 -0.258 -5.479 77 HB ILE 14 HB ILE 14 -3.468 -1.506 -8.219 78 HG12 ILE 14 1HG1 ILE 14 -4.190 -2.623 -5.503 79 HG13 ILE 14 2HG1 ILE 14 -5.350 -1.890 -6.605 80 HG21 ILE 14 1HG2 ILE 14 -1.554 -2.583 -7.885 81 HG22 ILE 14 2HG2 ILE 14 -1.269 -1.538 -6.494 82 HG23 ILE 14 3HG2 ILE 14 -2.064 -3.097 -6.278 83 HD11 ILE 14 3HD1 ILE 14 -4.508 -3.647 -8.291 84 HD12 ILE 14 1HD1 ILE 14 -3.868 -4.468 -6.867 85 HD13 ILE 14 2HD1 ILE 14 -5.598 -4.150 -7.000 86 H CYS 15 H CYS 15 -1.406 0.810 -5.203 87 HA CYS 15 HA CYS 15 -0.328 2.735 -6.826 88 HB2 CYS 15 1HB CYS 15 0.336 2.278 -4.465 89 HB3 CYS 15 2HB CYS 15 1.271 0.898 -5.033 90 H ALA 16 H ALA 16 0.916 2.813 -8.603 91 HA ALA 16 HA ALA 16 1.649 0.259 -9.846 92 HB1 ALA 16 3HB ALA 16 0.225 2.098 -10.993 93 HB2 ALA 16 1HB ALA 16 1.777 2.893 -11.256 94 HB3 ALA 16 2HB ALA 16 1.488 1.282 -11.914 95 H GLU 17 H GLU 17 3.191 1.569 -7.682 96 HA GLU 17 HA GLU 17 5.729 1.914 -9.139 97 HB2 GLU 17 1HB GLU 17 4.742 3.317 -6.658 98 HB3 GLU 17 2HB GLU 17 6.434 3.313 -7.137 99 HG2 GLU 17 1HG GLU 17 5.298 5.350 -7.839 100 HG3 GLU 17 2HG GLU 17 5.878 4.419 -9.218 101 H CYS 18 H CYS 18 4.174 0.761 -6.183 102 HA CYS 18 HA CYS 18 6.499 -0.994 -5.730 103 HB2 CYS 18 1HB CYS 18 5.740 -1.023 -3.324 104 HB3 CYS 18 2HB CYS 18 6.357 0.524 -3.893 105 H GLY 19 H GLY 19 2.973 -0.754 -5.287 106 HA2 GLY 19 1HA GLY 19 1.744 -2.654 -6.393 107 HA3 GLY 19 2HA GLY 19 2.853 -3.698 -5.515 108 H LYS 20 H LYS 20 1.476 -0.781 -4.152 109 HA LYS 20 HA LYS 20 0.195 -2.408 -2.091 110 HB2 LYS 20 1HB LYS 20 1.699 -0.524 -1.453 111 HB3 LYS 20 2HB LYS 20 0.563 0.591 -2.201 112 HG2 LYS 20 1HG LYS 20 -1.152 -0.048 -0.612 113 HG3 LYS 20 2HG LYS 20 -0.064 -1.234 0.112 114 HD2 LYS 20 1HD LYS 20 1.420 0.501 0.860 115 HD3 LYS 20 2HD LYS 20 0.501 1.727 -0.017 116 HE2 LYS 20 1HE LYS 20 -1.484 0.940 1.441 117 HE3 LYS 20 2HE LYS 20 -0.243 0.218 2.464 118 HZ1 LYS 20 3HZ LYS 20 -0.231 3.076 1.677 119 HZ2 LYS 20 1HZ LYS 20 0.713 2.327 2.865 120 HZ3 LYS 20 2HZ LYS 20 -0.951 2.513 3.100 121 H ALA 21 H ALA 21 -1.962 -1.750 -1.304 122 HA ALA 21 HA ALA 21 -3.690 -1.002 -3.567 123 HB1 ALA 21 3HB ALA 21 -4.691 -2.936 -3.081 124 HB2 ALA 21 1HB ALA 21 -3.865 -3.068 -1.528 125 HB3 ALA 21 2HB ALA 21 -5.342 -2.114 -1.663 126 H PHE 22 H PHE 22 -5.737 0.115 -2.960 127 HA PHE 22 HA PHE 22 -5.727 1.637 -0.505 128 HB2 PHE 22 1HB PHE 22 -5.278 2.956 -3.183 129 HB3 PHE 22 2HB PHE 22 -5.867 3.831 -1.774 130 HD1 PHE 22 HD2 PHE 22 -3.027 1.834 -3.056 131 HD2 PHE 22 HD1 PHE 22 -4.390 4.616 -0.138 132 HE1 PHE 22 HE2 PHE 22 -0.709 2.180 -2.309 133 HE2 PHE 22 HE1 PHE 22 -2.073 4.968 0.613 134 HZ PHE 22 HZ PHE 22 -0.229 3.748 -0.472 135 H THR 23 H THR 23 -7.711 2.670 -0.078 136 HA THR 23 HA THR 23 -9.932 1.591 -1.648 137 HB THR 23 HB THR 23 -9.916 2.892 1.083 138 HG1 THR 23 HG1 THR 23 -10.609 0.212 0.567 139 HG21 THR 23 3HG2 THR 23 -12.081 3.293 0.574 140 HG22 THR 23 1HG2 THR 23 -12.276 1.574 0.915 141 HG23 THR 23 2HG2 THR 23 -12.093 2.128 -0.750 142 H ILE 24 H ILE 24 -8.572 4.642 -0.537 143 HA ILE 24 HA ILE 24 -10.558 6.070 -2.180 144 HB ILE 24 HB ILE 24 -8.949 7.100 0.159 145 HG12 ILE 24 1HG1 ILE 24 -10.854 5.585 0.720 146 HG13 ILE 24 2HG1 ILE 24 -11.057 7.222 1.333 147 HG21 ILE 24 1HG2 ILE 24 -10.952 8.921 -0.425 148 HG22 ILE 24 2HG2 ILE 24 -9.232 9.107 -0.762 149 HG23 ILE 24 3HG2 ILE 24 -10.309 8.466 -2.003 150 HD11 ILE 24 3HD1 ILE 24 -13.132 6.863 0.495 151 HD12 ILE 24 1HD1 ILE 24 -12.356 7.527 -0.943 152 HD13 ILE 24 2HD1 ILE 24 -12.557 5.783 -0.775 153 H ARG 25 H ARG 25 -9.887 7.367 -3.802 154 HA ARG 25 HA ARG 25 -7.477 7.034 -5.060 155 HB2 ARG 25 1HB ARG 25 -8.756 9.726 -5.221 156 HB3 ARG 25 2HB ARG 25 -8.115 8.713 -6.507 157 HG2 ARG 25 1HG ARG 25 -10.323 8.477 -6.943 158 HG3 ARG 25 2HG ARG 25 -10.139 7.163 -5.779 159 HD2 ARG 25 1HD ARG 25 -11.950 8.204 -4.870 160 HD3 ARG 25 2HD ARG 25 -10.670 9.108 -4.061 161 HE ARG 25 HE ARG 25 -11.113 10.563 -6.288 162 HH11 ARG 25 1HH1 ARG 25 -13.223 9.287 -3.830 163 HH12 ARG 25 2HH1 ARG 25 -14.382 10.567 -3.976 164 HH21 ARG 25 1HH2 ARG 25 -12.631 12.253 -6.490 165 HH22 ARG 25 2HH2 ARG 25 -14.044 12.253 -5.490 166 H SER 26 H SER 26 -8.344 9.622 -2.783 167 HA SER 26 HA SER 26 -5.954 11.047 -2.871 168 HB2 SER 26 1HB SER 26 -8.216 11.561 -1.659 169 HB3 SER 26 2HB SER 26 -7.458 10.744 -0.292 170 HG SER 26 HG SER 26 -7.160 13.230 -0.936 171 H ASN 27 H ASN 27 -6.920 8.481 -0.596 172 HA ASN 27 HA ASN 27 -4.714 8.326 0.995 173 HB2 ASN 27 1HB ASN 27 -6.324 6.031 -0.143 174 HB3 ASN 27 2HB ASN 27 -5.194 5.882 1.200 175 HD21 ASN 27 1HD2 ASN 27 -6.964 5.141 2.461 176 HD22 ASN 27 2HD2 ASN 27 -8.089 6.264 3.139 177 H LEU 28 H LEU 28 -5.040 7.159 -2.304 178 HA LEU 28 HA LEU 28 -2.430 5.913 -2.291 179 HB2 LEU 28 1HB LEU 28 -4.071 4.837 -3.614 180 HB3 LEU 28 2HB LEU 28 -4.517 6.345 -4.410 181 HG LEU 28 HG LEU 28 -2.223 6.332 -5.462 182 HD11 LEU 28 1HD1 LEU 28 -1.448 4.580 -3.703 183 HD12 LEU 28 2HD1 LEU 28 -0.839 4.494 -5.355 184 HD13 LEU 28 3HD1 LEU 28 -2.132 3.414 -4.836 185 HD21 LEU 28 3HD2 LEU 28 -4.590 5.086 -6.201 186 HD22 LEU 28 1HD2 LEU 28 -3.343 3.878 -6.508 187 HD23 LEU 28 2HD2 LEU 28 -3.227 5.473 -7.253 188 H ILE 29 H ILE 29 -3.950 8.752 -3.781 189 HA ILE 29 HA ILE 29 -1.773 9.669 -5.251 190 HB ILE 29 HB ILE 29 -3.885 11.332 -3.873 191 HG12 ILE 29 1HG1 ILE 29 -3.932 10.669 -6.783 192 HG13 ILE 29 2HG1 ILE 29 -4.436 9.428 -5.640 193 HG21 ILE 29 1HG2 ILE 29 -3.356 12.953 -5.722 194 HG22 ILE 29 2HG2 ILE 29 -2.103 12.768 -4.496 195 HG23 ILE 29 3HG2 ILE 29 -1.926 11.979 -6.063 196 HD11 ILE 29 3HD1 ILE 29 -6.436 10.353 -5.545 197 HD12 ILE 29 1HD1 ILE 29 -5.722 11.834 -4.906 198 HD13 ILE 29 2HD1 ILE 29 -5.913 11.626 -6.648 199 H LYS 30 H LYS 30 -2.435 9.864 -1.838 200 HA LYS 30 HA LYS 30 -0.366 11.820 -1.335 201 HB2 LYS 30 1HB LYS 30 -2.581 11.372 0.002 202 HB3 LYS 30 2HB LYS 30 -1.614 10.148 0.813 203 HG2 LYS 30 1HG LYS 30 -0.025 11.823 1.527 204 HG3 LYS 30 2HG LYS 30 -0.903 13.069 0.636 205 HD2 LYS 30 1HD LYS 30 -2.669 13.077 2.127 206 HD3 LYS 30 2HD LYS 30 -2.330 11.441 2.696 207 HE2 LYS 30 1HE LYS 30 -0.147 12.450 3.619 208 HE3 LYS 30 2HE LYS 30 -0.943 14.007 3.393 209 HZ1 LYS 30 3HZ LYS 30 -2.842 12.888 4.718 210 HZ2 LYS 30 1HZ LYS 30 -1.491 13.479 5.548 211 HZ3 LYS 30 2HZ LYS 30 -1.635 11.822 5.238 212 H HIS 31 H HIS 31 -0.682 8.372 -1.421 213 HA HIS 31 HA HIS 31 1.630 7.774 0.143 214 HB2 HIS 31 1HB HIS 31 0.110 6.004 0.020 215 HB3 HIS 31 2HB HIS 31 -0.127 6.200 -1.714 216 HD1 HIS 31 HD1 HIS 31 2.285 4.756 0.782 217 HD2 HIS 31 HD2 HIS 31 1.628 4.783 -3.321 218 HE1 HIS 31 HE1 HIS 31 3.831 3.010 -0.158 219 H GLN 32 H GLN 32 1.011 8.348 -3.260 220 HA GLN 32 HA GLN 32 3.356 7.366 -4.376 221 HB2 GLN 32 1HB GLN 32 1.640 9.720 -5.158 222 HB3 GLN 32 2HB GLN 32 2.989 9.156 -6.134 223 HG2 GLN 32 1HG GLN 32 1.823 6.879 -6.089 224 HG3 GLN 32 2HG GLN 32 0.410 7.766 -5.520 225 HE21 GLN 32 1HE2 GLN 32 -0.899 7.629 -7.242 226 HE22 GLN 32 2HE2 GLN 32 -0.521 8.232 -8.816 227 H LYS 33 H LYS 33 2.971 9.898 -2.173 228 HA LYS 33 HA LYS 33 4.969 11.702 -2.907 229 HB2 LYS 33 1HB LYS 33 3.873 10.883 -0.223 230 HB3 LYS 33 2HB LYS 33 5.112 12.121 -0.380 231 HG2 LYS 33 1HG LYS 33 3.452 13.202 -2.058 232 HG3 LYS 33 2HG LYS 33 2.260 12.178 -1.255 233 HD2 LYS 33 1HD LYS 33 2.113 14.081 0.022 234 HD3 LYS 33 2HD LYS 33 3.335 13.180 0.922 235 HE2 LYS 33 1HE LYS 33 5.099 14.430 -0.210 236 HE3 LYS 33 2HE LYS 33 3.888 15.313 -1.140 237 HZ1 LYS 33 3HZ LYS 33 3.529 15.410 1.728 238 HZ2 LYS 33 1HZ LYS 33 3.425 16.648 0.580 239 HZ3 LYS 33 2HZ LYS 33 4.935 16.167 1.170 240 H ILE 34 H ILE 34 5.201 8.906 -0.706 241 HA ILE 34 HA ILE 34 7.927 9.092 -0.164 242 HB ILE 34 HB ILE 34 7.848 6.784 0.526 243 HG12 ILE 34 1HG1 ILE 34 5.054 6.429 -0.464 244 HG13 ILE 34 2HG1 ILE 34 6.373 6.245 -1.615 245 HG21 ILE 34 1HG2 ILE 34 5.678 8.645 1.223 246 HG22 ILE 34 2HG2 ILE 34 5.426 6.968 1.706 247 HG23 ILE 34 3HG2 ILE 34 6.859 7.837 2.254 248 HD11 ILE 34 3HD1 ILE 34 6.460 4.779 0.978 249 HD12 ILE 34 1HD1 ILE 34 5.457 4.182 -0.343 250 HD13 ILE 34 2HD1 ILE 34 7.196 4.370 -0.572 251 H HIS 35 H HIS 35 6.375 8.316 -3.074 252 HA HIS 35 HA HIS 35 8.621 6.779 -4.123 253 HB2 HIS 35 1HB HIS 35 5.872 7.438 -5.129 254 HB3 HIS 35 2HB HIS 35 7.111 6.878 -6.249 255 HD1 HIS 35 HD1 HIS 35 8.036 4.434 -5.838 256 HD2 HIS 35 HD2 HIS 35 4.709 5.482 -3.581 257 HE1 HIS 35 HE1 HIS 35 7.123 2.269 -4.942 258 H THR 36 H THR 36 7.473 9.995 -4.018 259 HA THR 36 HA THR 36 9.393 10.768 -6.118 260 HB THR 36 HB THR 36 7.127 11.283 -6.841 261 HG1 THR 36 HG1 THR 36 7.457 13.732 -6.797 262 HG21 THR 36 3HG2 THR 36 5.569 11.815 -5.340 263 HG22 THR 36 1HG2 THR 36 6.353 13.381 -5.134 264 HG23 THR 36 2HG2 THR 36 6.793 12.031 -4.089 265 H LYS 37 H LYS 37 10.676 12.594 -5.758 266 HA LYS 37 HA LYS 37 11.964 14.020 -4.541 267 HB2 LYS 37 1HB LYS 37 9.274 14.290 -3.296 268 HB3 LYS 37 2HB LYS 37 10.641 14.981 -2.432 269 HG2 LYS 37 1HG LYS 37 11.219 16.179 -4.588 270 HG3 LYS 37 2HG LYS 37 9.629 15.681 -5.170 271 HD2 LYS 37 1HD LYS 37 8.609 16.799 -3.210 272 HD3 LYS 37 2HD LYS 37 10.211 17.367 -2.736 273 HE2 LYS 37 1HE LYS 37 9.335 19.180 -3.892 274 HE3 LYS 37 2HE LYS 37 10.309 18.365 -5.114 275 HZ1 LYS 37 3HZ LYS 37 7.520 17.553 -4.916 276 HZ2 LYS 37 1HZ LYS 37 8.496 17.753 -6.284 277 HZ3 LYS 37 2HZ LYS 37 7.809 19.103 -5.531 278 H GLN 38 H GLN 38 12.292 11.298 -4.019 279 HA GLN 38 HA GLN 38 12.953 11.328 -1.147 280 HB2 GLN 38 1HB GLN 38 12.539 8.985 -1.010 281 HB3 GLN 38 2HB GLN 38 11.145 9.706 -1.803 282 HG2 GLN 38 1HG GLN 38 11.718 8.835 -3.881 283 HG3 GLN 38 2HG GLN 38 13.388 8.538 -3.399 284 HE21 GLN 38 1HE2 GLN 38 13.618 6.946 -1.563 285 HE22 GLN 38 2HE2 GLN 38 12.620 5.538 -1.630 286 H LYS 39 H LYS 39 14.097 11.100 -4.325 287 HA LYS 39 HA LYS 39 16.539 9.685 -3.615 288 HB2 LYS 39 1HB LYS 39 17.113 9.934 -5.996 289 HB3 LYS 39 2HB LYS 39 15.529 9.201 -5.778 290 HG2 LYS 39 1HG LYS 39 14.589 11.551 -6.097 291 HG3 LYS 39 2HG LYS 39 16.195 11.976 -6.695 292 HD2 LYS 39 1HD LYS 39 15.933 9.977 -8.273 293 HD3 LYS 39 2HD LYS 39 14.222 10.019 -7.838 294 HE2 LYS 39 1HE LYS 39 14.358 12.517 -8.471 295 HE3 LYS 39 2HE LYS 39 15.855 12.072 -9.289 296 HZ1 LYS 39 3HZ LYS 39 13.858 10.232 -9.995 297 HZ2 LYS 39 1HZ LYS 39 14.676 11.330 -10.989 298 HZ3 LYS 39 2HZ LYS 39 13.242 11.792 -10.220 299 HA PRO 40 HA PRO 40 18.800 13.350 -2.658 300 HB2 PRO 40 1HB PRO 40 21.306 12.343 -2.934 301 HB3 PRO 40 2HB PRO 40 20.266 11.967 -1.555 302 HG2 PRO 40 1HG PRO 40 20.804 10.354 -4.019 303 HG3 PRO 40 2HG PRO 40 20.704 9.819 -2.332 304 HD2 PRO 40 1HD PRO 40 18.661 9.509 -4.081 305 HD3 PRO 40 2HD PRO 40 18.400 9.784 -2.347 306 H SER 41 H SER 41 20.122 11.466 -5.391 307 HA SER 41 HA SER 41 21.185 12.158 -7.302 308 HB2 SER 41 1HB SER 41 18.800 14.024 -7.302 309 HB3 SER 41 2HB SER 41 19.776 13.609 -8.711 310 HG SER 41 HG SER 41 18.127 11.893 -7.172 311 H GLY 42 H GLY 42 22.361 13.340 -5.078 312 HA2 GLY 42 1HA GLY 42 23.571 15.646 -6.310 313 HA3 GLY 42 2HA GLY 42 22.617 16.042 -4.889 314 HA PRO 43 HA PRO 43 26.040 15.147 -2.307 315 HB2 PRO 43 1HB PRO 43 24.813 14.185 -0.085 316 HB3 PRO 43 2HB PRO 43 24.765 15.890 -0.546 317 HG2 PRO 43 1HG PRO 43 22.707 13.757 -0.965 318 HG3 PRO 43 2HG PRO 43 22.487 15.436 -0.439 319 HD2 PRO 43 1HD PRO 43 22.031 14.636 -2.985 320 HD3 PRO 43 2HD PRO 43 22.626 16.260 -2.586 321 H SER 44 H SER 44 23.708 12.586 -2.877 322 HA SER 44 HA SER 44 24.937 10.418 -1.704 323 HB2 SER 44 1HB SER 44 22.739 10.288 -2.787 324 HB3 SER 44 2HB SER 44 23.496 10.483 -4.368 325 HG SER 44 HG SER 44 24.467 8.429 -2.772 326 H SER 45 H SER 45 25.375 11.471 -5.085 327 HA SER 45 HA SER 45 28.099 10.363 -4.981 328 HB2 SER 45 1HB SER 45 27.815 9.618 -7.344 329 HB3 SER 45 2HB SER 45 26.752 8.770 -6.221 330 HG SER 45 HG SER 45 25.373 10.822 -6.972 331 H GLY 46 H GLY 46 28.555 12.660 -4.503 332 HA2 GLY 46 1HA GLY 46 29.064 14.836 -5.111 333 HA3 GLY 46 2HA GLY 46 29.808 14.015 -6.475 Start of MODEL 16 1 H1 GLY 1 H GLY 1 13.032 -2.671 2.147 2 HA2 GLY 1 1HA GLY 1 14.248 -4.150 -0.079 3 HA3 GLY 1 2HA GLY 1 14.227 -4.897 1.511 4 H SER 2 H SER 2 12.176 -5.400 2.473 5 HA SER 2 HA SER 2 10.261 -6.274 0.491 6 HB2 SER 2 1HB SER 2 10.721 -6.791 3.394 7 HB3 SER 2 2HB SER 2 9.101 -7.062 2.752 8 HG SER 2 HG SER 2 10.249 -8.956 2.536 9 H SER 3 H SER 3 10.380 -3.507 0.588 10 HA SER 3 HA SER 3 8.659 -2.153 2.252 11 HB2 SER 3 1HB SER 3 10.118 -1.147 0.466 12 HB3 SER 3 2HB SER 3 8.907 -1.636 -0.719 13 HG SER 3 HG SER 3 7.949 0.161 -0.236 14 H GLY 4 H GLY 4 6.601 -2.487 2.742 15 HA2 GLY 4 1HA GLY 4 4.383 -2.338 1.310 16 HA3 GLY 4 2HA GLY 4 4.897 -3.964 0.885 17 H SER 5 H SER 5 2.641 -4.250 1.876 18 HA SER 5 HA SER 5 3.019 -5.310 4.532 19 HB2 SER 5 1HB SER 5 2.433 -3.111 5.230 20 HB3 SER 5 2HB SER 5 1.152 -2.991 4.024 21 HG SER 5 HG SER 5 -0.113 -4.292 5.211 22 H SER 6 H SER 6 1.114 -6.543 5.269 23 HA SER 6 HA SER 6 0.173 -8.286 3.325 24 HB2 SER 6 1HB SER 6 0.225 -8.624 5.854 25 HB3 SER 6 2HB SER 6 -1.292 -7.726 5.905 26 HG SER 6 HG SER 6 -0.851 -10.304 5.225 27 H GLY 7 H GLY 7 -1.780 -8.529 2.243 28 HA2 GLY 7 1HA GLY 7 -3.732 -6.350 2.451 29 HA3 GLY 7 2HA GLY 7 -2.986 -6.647 0.888 30 H THR 8 H THR 8 -5.806 -6.864 1.815 31 HA THR 8 HA THR 8 -6.312 -9.501 0.674 32 HB THR 8 HB THR 8 -6.345 -9.926 3.079 33 HG1 THR 8 HG1 THR 8 -8.105 -10.674 1.456 34 HG21 THR 8 3HG2 THR 8 -8.745 -8.278 3.557 35 HG22 THR 8 1HG2 THR 8 -7.231 -7.392 3.383 36 HG23 THR 8 2HG2 THR 8 -7.387 -8.638 4.621 37 H GLY 9 H GLY 9 -8.168 -9.616 -0.524 38 HA2 GLY 9 1HA GLY 9 -10.341 -8.922 -1.183 39 HA3 GLY 9 2HA GLY 9 -10.063 -7.383 -0.381 40 H GLU 10 H GLU 10 -11.004 -6.637 -2.486 41 HA GLU 10 HA GLU 10 -8.853 -6.321 -4.475 42 HB2 GLU 10 1HB GLU 10 -11.822 -6.625 -4.921 43 HB3 GLU 10 2HB GLU 10 -10.714 -6.065 -6.165 44 HG2 GLU 10 1HG GLU 10 -10.315 -8.679 -4.754 45 HG3 GLU 10 2HG GLU 10 -11.355 -8.528 -6.169 46 H LYS 11 H LYS 11 -8.173 -4.304 -4.683 47 HA LYS 11 HA LYS 11 -9.978 -2.119 -3.879 48 HB2 LYS 11 1HB LYS 11 -7.008 -2.473 -3.691 49 HB3 LYS 11 2HB LYS 11 -7.687 -0.852 -3.773 50 HG2 LYS 11 1HG LYS 11 -7.562 -1.158 -1.512 51 HG3 LYS 11 2HG LYS 11 -9.208 -1.711 -1.828 52 HD2 LYS 11 1HD LYS 11 -8.384 -4.032 -1.915 53 HD3 LYS 11 2HD LYS 11 -6.760 -3.454 -1.534 54 HE2 LYS 11 1HE LYS 11 -7.651 -4.181 0.515 55 HE3 LYS 11 2HE LYS 11 -7.786 -2.423 0.552 56 HZ1 LYS 11 3HZ LYS 11 -9.843 -4.395 0.670 57 HZ2 LYS 11 1HZ LYS 11 -10.133 -3.277 -0.566 58 HZ3 LYS 11 2HZ LYS 11 -9.918 -2.743 1.024 59 HA PRO 12 HA PRO 12 -10.024 -0.774 -8.082 60 HB2 PRO 12 1HB PRO 12 -10.901 1.760 -7.663 61 HB3 PRO 12 2HB PRO 12 -11.954 0.346 -7.535 62 HG2 PRO 12 1HG PRO 12 -10.594 1.897 -5.365 63 HG3 PRO 12 2HG PRO 12 -12.249 1.264 -5.419 64 HD2 PRO 12 1HD PRO 12 -10.257 0.022 -4.068 65 HD3 PRO 12 2HD PRO 12 -11.587 -0.867 -4.839 66 H TYR 13 H TYR 13 -8.059 0.597 -5.627 67 HA TYR 13 HA TYR 13 -6.463 1.994 -7.672 68 HB2 TYR 13 1HB TYR 13 -6.650 2.758 -4.754 69 HB3 TYR 13 2HB TYR 13 -5.820 3.640 -6.031 70 HD1 TYR 13 HD2 TYR 13 -7.654 3.884 -8.177 71 HD2 TYR 13 HD1 TYR 13 -8.482 3.933 -4.003 72 HE1 TYR 13 HE2 TYR 13 -9.693 5.192 -8.602 73 HE2 TYR 13 HE1 TYR 13 -10.524 5.240 -4.418 74 HH TYR 13 HH TYR 13 -11.631 5.930 -7.691 75 H ILE 14 H ILE 14 -4.457 1.273 -7.928 76 HA ILE 14 HA ILE 14 -3.121 -0.083 -5.695 77 HB ILE 14 HB ILE 14 -3.272 -1.169 -8.510 78 HG12 ILE 14 1HG1 ILE 14 -5.244 -1.503 -6.898 79 HG13 ILE 14 2HG1 ILE 14 -4.562 -2.942 -7.649 80 HG21 ILE 14 1HG2 ILE 14 -1.855 -2.385 -6.150 81 HG22 ILE 14 2HG2 ILE 14 -1.807 -2.909 -7.832 82 HG23 ILE 14 3HG2 ILE 14 -1.045 -1.390 -7.360 83 HD11 ILE 14 3HD1 ILE 14 -3.471 -3.577 -5.663 84 HD12 ILE 14 1HD1 ILE 14 -3.757 -2.006 -4.915 85 HD13 ILE 14 2HD1 ILE 14 -5.106 -3.107 -5.198 86 H CYS 15 H CYS 15 -1.071 0.537 -5.424 87 HA CYS 15 HA CYS 15 0.053 2.494 -7.220 88 HB2 CYS 15 1HB CYS 15 0.249 2.700 -4.753 89 HB3 CYS 15 2HB CYS 15 1.254 1.254 -4.736 90 H ALA 16 H ALA 16 0.304 1.151 -9.097 91 HA ALA 16 HA ALA 16 1.633 -1.210 -9.376 92 HB1 ALA 16 3HB ALA 16 1.372 1.182 -11.122 93 HB2 ALA 16 1HB ALA 16 2.506 -0.083 -11.597 94 HB3 ALA 16 2HB ALA 16 0.799 -0.468 -11.368 95 H GLU 17 H GLU 17 3.063 1.987 -8.944 96 HA GLU 17 HA GLU 17 5.671 1.664 -9.534 97 HB2 GLU 17 1HB GLU 17 4.613 2.896 -6.984 98 HB3 GLU 17 2HB GLU 17 6.219 3.161 -7.647 99 HG2 GLU 17 1HG GLU 17 3.838 3.753 -9.332 100 HG3 GLU 17 2HG GLU 17 4.300 4.880 -8.059 101 H CYS 18 H CYS 18 4.278 0.724 -6.387 102 HA CYS 18 HA CYS 18 6.543 -1.129 -6.046 103 HB2 CYS 18 1HB CYS 18 6.225 -0.919 -3.638 104 HB3 CYS 18 2HB CYS 18 6.460 0.669 -4.359 105 H GLY 19 H GLY 19 3.068 -0.712 -5.430 106 HA2 GLY 19 1HA GLY 19 1.693 -2.634 -6.255 107 HA3 GLY 19 2HA GLY 19 2.831 -3.658 -5.391 108 H LYS 20 H LYS 20 1.494 -0.594 -4.264 109 HA LYS 20 HA LYS 20 0.613 -1.875 -1.825 110 HB2 LYS 20 1HB LYS 20 0.944 0.925 -2.778 111 HB3 LYS 20 2HB LYS 20 -0.221 0.641 -1.492 112 HG2 LYS 20 1HG LYS 20 2.525 -0.488 -1.242 113 HG3 LYS 20 2HG LYS 20 2.257 1.230 -0.934 114 HD2 LYS 20 1HD LYS 20 2.071 0.108 1.156 115 HD3 LYS 20 2HD LYS 20 0.436 0.554 0.662 116 HE2 LYS 20 1HE LYS 20 -0.143 -1.632 0.155 117 HE3 LYS 20 2HE LYS 20 1.534 -2.137 -0.042 118 HZ1 LYS 20 3HZ LYS 20 1.400 -2.914 2.017 119 HZ2 LYS 20 1HZ LYS 20 -0.093 -2.168 2.294 120 HZ3 LYS 20 2HZ LYS 20 1.341 -1.315 2.566 121 H ALA 21 H ALA 21 -1.603 -0.780 -0.992 122 HA ALA 21 HA ALA 21 -3.624 -0.875 -3.099 123 HB1 ALA 21 3HB ALA 21 -4.752 -2.382 -1.037 124 HB2 ALA 21 1HB ALA 21 -4.240 -2.955 -2.625 125 HB3 ALA 21 2HB ALA 21 -3.127 -3.031 -1.258 126 H PHE 22 H PHE 22 -5.380 0.387 -2.701 127 HA PHE 22 HA PHE 22 -5.809 1.443 -0.015 128 HB2 PHE 22 1HB PHE 22 -5.428 3.229 -2.427 129 HB3 PHE 22 2HB PHE 22 -5.876 3.763 -0.810 130 HD1 PHE 22 HD1 PHE 22 -4.247 3.680 1.020 131 HD2 PHE 22 HD2 PHE 22 -3.174 2.680 -2.975 132 HE1 PHE 22 HE1 PHE 22 -1.868 3.909 1.605 133 HE2 PHE 22 HE2 PHE 22 -0.793 2.906 -2.396 134 HZ PHE 22 HZ PHE 22 -0.138 3.521 -0.103 135 H THR 23 H THR 23 -7.863 2.653 0.155 136 HA THR 23 HA THR 23 -9.886 1.398 -1.547 137 HB THR 23 HB THR 23 -10.267 2.934 1.031 138 HG1 THR 23 HG1 THR 23 -10.549 0.140 0.777 139 HG21 THR 23 3HG2 THR 23 -12.388 2.978 0.252 140 HG22 THR 23 1HG2 THR 23 -12.412 1.298 0.783 141 HG23 THR 23 2HG2 THR 23 -12.099 1.683 -0.909 142 H ILE 24 H ILE 24 -9.102 4.603 -0.204 143 HA ILE 24 HA ILE 24 -10.938 5.885 -2.050 144 HB ILE 24 HB ILE 24 -9.030 7.292 -0.196 145 HG12 ILE 24 1HG1 ILE 24 -11.782 6.203 0.438 146 HG13 ILE 24 2HG1 ILE 24 -10.261 5.656 1.136 147 HG21 ILE 24 1HG2 ILE 24 -10.568 9.104 -0.323 148 HG22 ILE 24 2HG2 ILE 24 -10.264 8.559 -1.972 149 HG23 ILE 24 3HG2 ILE 24 -11.763 8.111 -1.157 150 HD11 ILE 24 3HD1 ILE 24 -10.483 7.144 2.749 151 HD12 ILE 24 1HD1 ILE 24 -10.442 8.445 1.559 152 HD13 ILE 24 2HD1 ILE 24 -11.983 7.722 2.023 153 H ARG 25 H ARG 25 -10.349 7.357 -3.656 154 HA ARG 25 HA ARG 25 -8.050 6.721 -5.141 155 HB2 ARG 25 1HB ARG 25 -10.272 7.806 -5.904 156 HB3 ARG 25 2HB ARG 25 -9.521 9.325 -5.433 157 HG2 ARG 25 1HG ARG 25 -7.574 8.548 -6.956 158 HG3 ARG 25 2HG ARG 25 -8.781 7.456 -7.640 159 HD2 ARG 25 1HD ARG 25 -10.150 9.248 -8.336 160 HD3 ARG 25 2HD ARG 25 -9.261 10.409 -7.350 161 HE ARG 25 HE ARG 25 -7.662 9.138 -9.374 162 HH11 ARG 25 1HH1 ARG 25 -9.826 11.771 -8.661 163 HH12 ARG 25 2HH1 ARG 25 -9.232 12.777 -9.941 164 HH21 ARG 25 1HH2 ARG 25 -6.872 10.454 -11.062 165 HH22 ARG 25 2HH2 ARG 25 -7.553 12.027 -11.306 166 H SER 26 H SER 26 -8.801 9.538 -3.109 167 HA SER 26 HA SER 26 -6.390 10.913 -3.532 168 HB2 SER 26 1HB SER 26 -6.957 12.110 -1.416 169 HB3 SER 26 2HB SER 26 -8.300 12.041 -2.557 170 HG SER 26 HG SER 26 -8.832 10.021 -1.261 171 H ASN 27 H ASN 27 -7.317 8.495 -1.128 172 HA ASN 27 HA ASN 27 -5.232 8.577 0.629 173 HB2 ASN 27 1HB ASN 27 -6.901 6.350 -0.448 174 HB3 ASN 27 2HB ASN 27 -5.500 5.936 0.535 175 HD21 ASN 27 1HD2 ASN 27 -7.838 8.592 0.718 176 HD22 ASN 27 2HD2 ASN 27 -8.341 8.265 2.338 177 H LEU 28 H LEU 28 -5.270 6.890 -2.499 178 HA LEU 28 HA LEU 28 -2.739 5.752 -2.394 179 HB2 LEU 28 1HB LEU 28 -4.176 5.087 -4.133 180 HB3 LEU 28 2HB LEU 28 -4.411 6.746 -4.681 181 HG LEU 28 HG LEU 28 -2.170 6.805 -5.587 182 HD11 LEU 28 1HD1 LEU 28 -1.377 5.123 -3.748 183 HD12 LEU 28 2HD1 LEU 28 -0.569 5.185 -5.314 184 HD13 LEU 28 3HD1 LEU 28 -1.749 3.917 -4.981 185 HD21 LEU 28 3HD2 LEU 28 -4.267 5.369 -6.602 186 HD22 LEU 28 1HD2 LEU 28 -2.941 4.208 -6.680 187 HD23 LEU 28 2HD2 LEU 28 -2.788 5.775 -7.475 188 H ILE 29 H ILE 29 -3.582 8.755 -4.131 189 HA ILE 29 HA ILE 29 -1.243 9.714 -4.941 190 HB ILE 29 HB ILE 29 -3.347 11.266 -3.442 191 HG12 ILE 29 1HG1 ILE 29 -3.491 12.107 -5.986 192 HG13 ILE 29 2HG1 ILE 29 -2.844 10.494 -6.268 193 HG21 ILE 29 1HG2 ILE 29 -1.243 12.467 -3.259 194 HG22 ILE 29 2HG2 ILE 29 -0.998 12.337 -5.000 195 HG23 ILE 29 3HG2 ILE 29 -2.333 13.300 -4.366 196 HD11 ILE 29 3HD1 ILE 29 -4.889 10.054 -4.482 197 HD12 ILE 29 1HD1 ILE 29 -5.519 11.325 -5.529 198 HD13 ILE 29 2HD1 ILE 29 -4.953 9.807 -6.227 199 H LYS 30 H LYS 30 -2.352 10.182 -1.583 200 HA LYS 30 HA LYS 30 -0.214 11.476 -0.503 201 HB2 LYS 30 1HB LYS 30 -1.734 9.201 0.785 202 HB3 LYS 30 2HB LYS 30 -0.766 10.396 1.638 203 HG2 LYS 30 1HG LYS 30 -2.269 12.153 1.004 204 HG3 LYS 30 2HG LYS 30 -3.181 11.054 -0.033 205 HD2 LYS 30 1HD LYS 30 -3.630 9.687 2.058 206 HD3 LYS 30 2HD LYS 30 -2.996 11.058 2.971 207 HE2 LYS 30 1HE LYS 30 -4.696 12.498 1.867 208 HE3 LYS 30 2HE LYS 30 -5.371 11.056 1.112 209 HZ1 LYS 30 3HZ LYS 30 -5.687 12.032 3.791 210 HZ2 LYS 30 1HZ LYS 30 -5.258 10.396 3.739 211 HZ3 LYS 30 2HZ LYS 30 -6.638 10.934 2.923 212 H HIS 31 H HIS 31 -0.503 7.971 -0.992 213 HA HIS 31 HA HIS 31 1.981 7.276 0.133 214 HB2 HIS 31 1HB HIS 31 0.335 5.566 -0.209 215 HB3 HIS 31 2HB HIS 31 0.266 5.897 -1.938 216 HD1 HIS 31 HD1 HIS 31 2.419 4.258 0.665 217 HD2 HIS 31 HD2 HIS 31 2.227 4.661 -3.466 218 HE1 HIS 31 HE1 HIS 31 4.091 2.617 -0.250 219 H GLN 32 H GLN 32 1.038 8.126 -3.166 220 HA GLN 32 HA GLN 32 3.327 7.496 -4.553 221 HB2 GLN 32 1HB GLN 32 1.577 9.935 -4.911 222 HB3 GLN 32 2HB GLN 32 2.730 9.336 -6.096 223 HG2 GLN 32 1HG GLN 32 0.631 7.485 -5.097 224 HG3 GLN 32 2HG GLN 32 0.176 8.747 -6.242 225 HE21 GLN 32 1HE2 GLN 32 1.239 5.636 -5.944 226 HE22 GLN 32 2HE2 GLN 32 1.874 5.401 -7.533 227 H LYS 33 H LYS 33 2.955 9.804 -2.071 228 HA LYS 33 HA LYS 33 4.830 11.748 -2.696 229 HB2 LYS 33 1HB LYS 33 3.933 10.563 -0.082 230 HB3 LYS 33 2HB LYS 33 5.167 11.816 -0.131 231 HG2 LYS 33 1HG LYS 33 3.652 13.372 -1.116 232 HG3 LYS 33 2HG LYS 33 2.432 12.118 -1.347 233 HD2 LYS 33 1HD LYS 33 1.639 13.084 0.568 234 HD3 LYS 33 2HD LYS 33 2.707 11.866 1.270 235 HE2 LYS 33 1HE LYS 33 4.486 13.556 1.441 236 HE3 LYS 33 2HE LYS 33 3.385 14.766 0.783 237 HZ1 LYS 33 3HZ LYS 33 3.557 13.703 3.451 238 HZ2 LYS 33 1HZ LYS 33 1.978 13.731 2.843 239 HZ3 LYS 33 2HZ LYS 33 2.885 15.157 2.907 240 H ILE 34 H ILE 34 5.335 8.646 -1.030 241 HA ILE 34 HA ILE 34 8.120 8.960 -0.678 242 HB ILE 34 HB ILE 34 8.190 6.607 -0.157 243 HG12 ILE 34 1HG1 ILE 34 5.313 6.225 -0.863 244 HG13 ILE 34 2HG1 ILE 34 6.508 6.154 -2.153 245 HG21 ILE 34 1HG2 ILE 34 7.380 7.612 1.716 246 HG22 ILE 34 2HG2 ILE 34 5.966 8.264 0.890 247 HG23 ILE 34 3HG2 ILE 34 6.009 6.564 1.355 248 HD11 ILE 34 3HD1 ILE 34 7.545 4.554 -0.131 249 HD12 ILE 34 1HD1 ILE 34 5.821 4.185 -0.173 250 HD13 ILE 34 2HD1 ILE 34 6.794 4.023 -1.635 251 H HIS 35 H HIS 35 6.276 8.361 -3.448 252 HA HIS 35 HA HIS 35 8.481 7.044 -4.853 253 HB2 HIS 35 1HB HIS 35 5.580 7.492 -5.523 254 HB3 HIS 35 2HB HIS 35 6.739 6.979 -6.746 255 HD1 HIS 35 HD1 HIS 35 8.201 4.734 -5.789 256 HD2 HIS 35 HD2 HIS 35 4.326 5.375 -4.435 257 HE1 HIS 35 HE1 HIS 35 7.414 2.508 -4.926 258 H THR 36 H THR 36 6.806 10.073 -4.607 259 HA THR 36 HA THR 36 8.089 11.138 -6.999 260 HB THR 36 HB THR 36 6.247 12.538 -5.051 261 HG1 THR 36 HG1 THR 36 5.698 11.316 -7.570 262 HG21 THR 36 3HG2 THR 36 7.696 14.029 -6.394 263 HG22 THR 36 1HG2 THR 36 5.988 14.201 -6.794 264 HG23 THR 36 2HG2 THR 36 7.056 13.290 -7.861 265 H LYS 37 H LYS 37 10.211 11.501 -6.645 266 HA LYS 37 HA LYS 37 10.921 13.608 -4.798 267 HB2 LYS 37 1HB LYS 37 12.631 12.359 -3.617 268 HB3 LYS 37 2HB LYS 37 11.072 11.578 -3.394 269 HG2 LYS 37 1HG LYS 37 11.883 10.175 -5.484 270 HG3 LYS 37 2HG LYS 37 13.469 10.649 -4.871 271 HD2 LYS 37 1HD LYS 37 12.679 9.809 -2.607 272 HD3 LYS 37 2HD LYS 37 11.320 9.081 -3.465 273 HE2 LYS 37 1HE LYS 37 14.092 8.563 -4.433 274 HE3 LYS 37 2HE LYS 37 13.517 7.715 -2.999 275 HZ1 LYS 37 3HZ LYS 37 11.498 7.523 -4.880 276 HZ2 LYS 37 1HZ LYS 37 12.528 6.289 -4.352 277 HZ3 LYS 37 2HZ LYS 37 12.933 7.202 -5.717 278 H GLN 38 H GLN 38 12.760 14.702 -5.399 279 HA GLN 38 HA GLN 38 14.325 13.619 -7.631 280 HB2 GLN 38 1HB GLN 38 12.882 16.255 -7.545 281 HB3 GLN 38 2HB GLN 38 14.303 16.031 -8.556 282 HG2 GLN 38 1HG GLN 38 13.239 14.586 -9.978 283 HG3 GLN 38 2HG GLN 38 12.071 14.075 -8.760 284 HE21 GLN 38 1HE2 GLN 38 10.369 14.412 -10.210 285 HE22 GLN 38 2HE2 GLN 38 9.806 15.999 -10.597 286 H LYS 39 H LYS 39 16.336 14.925 -8.015 287 HA LYS 39 HA LYS 39 17.749 15.214 -5.567 288 HB2 LYS 39 1HB LYS 39 19.623 15.974 -7.024 289 HB3 LYS 39 2HB LYS 39 18.922 14.439 -7.521 290 HG2 LYS 39 1HG LYS 39 17.629 15.614 -9.252 291 HG3 LYS 39 2HG LYS 39 18.402 17.128 -8.775 292 HD2 LYS 39 1HD LYS 39 20.009 14.724 -9.587 293 HD3 LYS 39 2HD LYS 39 19.379 15.863 -10.780 294 HE2 LYS 39 1HE LYS 39 20.496 17.615 -9.129 295 HE3 LYS 39 2HE LYS 39 21.500 16.223 -8.730 296 HZ1 LYS 39 3HZ LYS 39 21.089 17.316 -11.462 297 HZ2 LYS 39 1HZ LYS 39 22.078 16.004 -11.057 298 HZ3 LYS 39 2HZ LYS 39 22.465 17.555 -10.507 299 HA PRO 40 HA PRO 40 16.849 19.436 -4.647 300 HB2 PRO 40 1HB PRO 40 18.890 19.891 -2.915 301 HB3 PRO 40 2HB PRO 40 17.467 18.931 -2.492 302 HG2 PRO 40 1HG PRO 40 20.185 18.013 -3.346 303 HG3 PRO 40 2HG PRO 40 19.144 17.381 -2.057 304 HD2 PRO 40 1HD PRO 40 19.347 16.190 -4.480 305 HD3 PRO 40 2HD PRO 40 17.850 16.164 -3.525 306 H SER 41 H SER 41 18.387 21.499 -4.230 307 HA SER 41 HA SER 41 19.336 22.292 -6.717 308 HB2 SER 41 1HB SER 41 19.800 23.351 -3.937 309 HB3 SER 41 2HB SER 41 20.557 24.108 -5.339 310 HG SER 41 HG SER 41 17.961 24.205 -4.487 311 H GLY 42 H GLY 42 21.125 21.045 -3.920 312 HA2 GLY 42 1HA GLY 42 23.161 19.933 -5.581 313 HA3 GLY 42 2HA GLY 42 23.721 21.398 -4.787 314 HA PRO 43 HA PRO 43 24.820 19.040 -1.260 315 HB2 PRO 43 1HB PRO 43 24.522 20.891 0.705 316 HB3 PRO 43 2HB PRO 43 25.846 20.937 -0.466 317 HG2 PRO 43 1HG PRO 43 23.278 22.476 -0.448 318 HG3 PRO 43 2HG PRO 43 24.918 23.040 -0.820 319 HD2 PRO 43 1HD PRO 43 23.107 22.454 -2.746 320 HD3 PRO 43 2HD PRO 43 24.851 22.210 -2.969 321 H SER 44 H SER 44 23.869 17.687 0.165 322 HA SER 44 HA SER 44 21.046 18.200 0.844 323 HB2 SER 44 1HB SER 44 20.627 15.844 0.769 324 HB3 SER 44 2HB SER 44 21.504 16.252 -0.705 325 HG SER 44 HG SER 44 22.376 14.847 1.561 326 H SER 45 H SER 45 20.382 17.951 2.932 327 HA SER 45 HA SER 45 22.398 17.117 4.906 328 HB2 SER 45 1HB SER 45 21.921 19.701 4.619 329 HB3 SER 45 2HB SER 45 20.498 19.324 5.590 330 HG SER 45 HG SER 45 21.863 18.524 7.198 331 H GLY 46 H GLY 46 21.681 15.509 6.129 332 HA2 GLY 46 1HA GLY 46 18.789 15.021 6.259 333 HA3 GLY 46 2HA GLY 46 20.049 13.847 6.614 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -5.736 -27.938 -1.759 2 HA2 GLY 1 1HA GLY 1 -5.186 -25.848 -2.835 3 HA3 GLY 1 2HA GLY 1 -5.800 -26.516 -4.340 4 H SER 2 H SER 2 -6.541 -24.752 -1.512 5 HA SER 2 HA SER 2 -9.406 -24.770 -2.193 6 HB2 SER 2 1HB SER 2 -8.878 -25.510 0.108 7 HB3 SER 2 2HB SER 2 -8.092 -23.961 0.413 8 HG SER 2 HG SER 2 -10.700 -23.887 -0.552 9 H SER 3 H SER 3 -9.946 -23.096 -3.420 10 HA SER 3 HA SER 3 -9.113 -20.419 -2.608 11 HB2 SER 3 1HB SER 3 -7.476 -21.165 -4.328 12 HB3 SER 3 2HB SER 3 -8.809 -21.397 -5.458 13 HG SER 3 HG SER 3 -7.648 -19.320 -5.551 14 H GLY 4 H GLY 4 -10.542 -18.782 -3.207 15 HA2 GLY 4 1HA GLY 4 -12.652 -19.022 -5.031 16 HA3 GLY 4 2HA GLY 4 -13.248 -19.526 -3.457 17 H SER 5 H SER 5 -12.257 -16.871 -5.430 18 HA SER 5 HA SER 5 -13.097 -15.020 -3.296 19 HB2 SER 5 1HB SER 5 -10.865 -14.680 -5.307 20 HB3 SER 5 2HB SER 5 -11.508 -13.356 -4.335 21 HG SER 5 HG SER 5 -9.589 -14.617 -3.536 22 H SER 6 H SER 6 -14.639 -13.588 -3.815 23 HA SER 6 HA SER 6 -15.371 -13.323 -6.658 24 HB2 SER 6 1HB SER 6 -16.930 -14.678 -5.030 25 HB3 SER 6 2HB SER 6 -17.435 -13.074 -4.499 26 HG SER 6 HG SER 6 -18.459 -14.287 -6.459 27 H GLY 7 H GLY 7 -14.205 -11.393 -6.876 28 HA2 GLY 7 1HA GLY 7 -13.695 -9.154 -6.524 29 HA3 GLY 7 2HA GLY 7 -15.435 -9.017 -6.730 30 H THR 8 H THR 8 -13.115 -9.928 -4.179 31 HA THR 8 HA THR 8 -14.794 -8.447 -2.266 32 HB THR 8 HB THR 8 -14.579 -10.818 -1.708 33 HG1 THR 8 HG1 THR 8 -14.185 -10.417 0.389 34 HG21 THR 8 3HG2 THR 8 -12.279 -10.998 -2.825 35 HG22 THR 8 1HG2 THR 8 -12.532 -11.909 -1.337 36 HG23 THR 8 2HG2 THR 8 -11.631 -10.394 -1.301 37 H GLY 9 H GLY 9 -14.014 -6.482 -1.864 38 HA2 GLY 9 1HA GLY 9 -11.946 -5.658 -0.493 39 HA3 GLY 9 2HA GLY 9 -11.119 -6.033 -1.997 40 H GLU 10 H GLU 10 -12.429 -3.587 -0.261 41 HA GLU 10 HA GLU 10 -13.520 -2.086 -2.497 42 HB2 GLU 10 1HB GLU 10 -13.350 -1.680 0.457 43 HB3 GLU 10 2HB GLU 10 -13.564 -0.272 -0.573 44 HG2 GLU 10 1HG GLU 10 -15.573 -1.303 -1.537 45 HG3 GLU 10 2HG GLU 10 -15.370 -2.676 -0.451 46 H LYS 11 H LYS 11 -10.908 -2.729 -2.986 47 HA LYS 11 HA LYS 11 -9.600 -0.100 -2.802 48 HB2 LYS 11 1HB LYS 11 -7.407 -1.338 -2.667 49 HB3 LYS 11 2HB LYS 11 -8.416 -1.439 -1.230 50 HG2 LYS 11 1HG LYS 11 -8.621 -3.585 -3.282 51 HG3 LYS 11 2HG LYS 11 -7.228 -3.560 -2.198 52 HD2 LYS 11 1HD LYS 11 -10.045 -3.375 -1.168 53 HD3 LYS 11 2HD LYS 11 -9.267 -4.929 -1.477 54 HE2 LYS 11 1HE LYS 11 -7.909 -2.857 0.204 55 HE3 LYS 11 2HE LYS 11 -9.155 -3.892 0.900 56 HZ1 LYS 11 3HZ LYS 11 -7.134 -5.287 -0.625 57 HZ2 LYS 11 1HZ LYS 11 -7.805 -5.661 0.882 58 HZ3 LYS 11 2HZ LYS 11 -6.556 -4.527 0.771 59 HA PRO 12 HA PRO 12 -9.952 -1.524 -7.205 60 HB2 PRO 12 1HB PRO 12 -10.789 0.877 -8.155 61 HB3 PRO 12 2HB PRO 12 -11.896 -0.337 -7.504 62 HG2 PRO 12 1HG PRO 12 -10.766 2.100 -6.182 63 HG3 PRO 12 2HG PRO 12 -12.422 1.468 -6.135 64 HD2 PRO 12 1HD PRO 12 -10.658 1.079 -4.119 65 HD3 PRO 12 2HD PRO 12 -11.910 -0.108 -4.534 66 H TYR 13 H TYR 13 -8.363 1.068 -5.537 67 HA TYR 13 HA TYR 13 -6.594 1.571 -7.819 68 HB2 TYR 13 1HB TYR 13 -6.637 3.039 -5.180 69 HB3 TYR 13 2HB TYR 13 -5.886 3.557 -6.685 70 HD1 TYR 13 HD1 TYR 13 -9.073 3.145 -4.901 71 HD2 TYR 13 HD2 TYR 13 -7.190 4.568 -8.441 72 HE1 TYR 13 HE1 TYR 13 -11.129 4.353 -5.501 73 HE2 TYR 13 HE2 TYR 13 -9.240 5.782 -9.050 74 HH TYR 13 HH TYR 13 -12.185 5.504 -7.111 75 H ILE 14 H ILE 14 -4.486 1.010 -7.831 76 HA ILE 14 HA ILE 14 -3.221 0.079 -5.371 77 HB ILE 14 HB ILE 14 -3.355 -1.618 -7.867 78 HG12 ILE 14 1HG1 ILE 14 -4.420 -2.209 -5.100 79 HG13 ILE 14 2HG1 ILE 14 -5.410 -1.590 -6.417 80 HG21 ILE 14 1HG2 ILE 14 -1.204 -1.519 -6.379 81 HG22 ILE 14 2HG2 ILE 14 -2.159 -2.525 -5.291 82 HG23 ILE 14 3HG2 ILE 14 -1.834 -3.068 -6.937 83 HD11 ILE 14 3HD1 ILE 14 -4.430 -4.290 -5.906 84 HD12 ILE 14 1HD1 ILE 14 -5.833 -3.740 -6.821 85 HD13 ILE 14 2HD1 ILE 14 -4.239 -3.754 -7.575 86 H CYS 15 H CYS 15 -1.269 0.947 -5.221 87 HA CYS 15 HA CYS 15 -0.093 2.438 -7.316 88 HB2 CYS 15 1HB CYS 15 0.267 2.933 -4.922 89 HB3 CYS 15 2HB CYS 15 1.177 1.435 -4.759 90 H ALA 16 H ALA 16 0.558 1.423 -9.118 91 HA ALA 16 HA ALA 16 1.601 -1.203 -9.212 92 HB1 ALA 16 3HB ALA 16 1.379 -0.952 -11.414 93 HB2 ALA 16 1HB ALA 16 0.712 0.643 -11.064 94 HB3 ALA 16 2HB ALA 16 2.427 0.467 -11.436 95 H GLU 17 H GLU 17 3.133 1.986 -9.168 96 HA GLU 17 HA GLU 17 5.701 1.576 -9.772 97 HB2 GLU 17 1HB GLU 17 4.466 3.113 -7.524 98 HB3 GLU 17 2HB GLU 17 6.218 3.001 -7.617 99 HG2 GLU 17 1HG GLU 17 5.819 3.753 -10.096 100 HG3 GLU 17 2HG GLU 17 4.305 4.368 -9.436 101 H CYS 18 H CYS 18 4.410 0.834 -6.530 102 HA CYS 18 HA CYS 18 6.677 -1.007 -6.149 103 HB2 CYS 18 1HB CYS 18 6.203 -0.751 -3.705 104 HB3 CYS 18 2HB CYS 18 6.710 0.739 -4.494 105 H GLY 19 H GLY 19 3.216 -0.606 -5.411 106 HA2 GLY 19 1HA GLY 19 1.863 -2.590 -6.203 107 HA3 GLY 19 2HA GLY 19 3.009 -3.550 -5.278 108 H LYS 20 H LYS 20 1.392 -0.488 -4.484 109 HA LYS 20 HA LYS 20 0.468 -1.720 -1.989 110 HB2 LYS 20 1HB LYS 20 1.815 0.549 -2.234 111 HB3 LYS 20 2HB LYS 20 0.209 1.206 -2.521 112 HG2 LYS 20 1HG LYS 20 0.338 1.478 -0.269 113 HG3 LYS 20 2HG LYS 20 -0.357 -0.144 -0.327 114 HD2 LYS 20 1HD LYS 20 1.909 -1.093 -0.104 115 HD3 LYS 20 2HD LYS 20 2.562 0.542 0.024 116 HE2 LYS 20 1HE LYS 20 2.364 -0.224 2.239 117 HE3 LYS 20 2HE LYS 20 0.990 0.853 1.994 118 HZ1 LYS 20 3HZ LYS 20 0.720 -1.524 3.063 119 HZ2 LYS 20 1HZ LYS 20 0.594 -1.988 1.440 120 HZ3 LYS 20 2HZ LYS 20 -0.483 -0.852 2.081 121 H ALA 21 H ALA 21 -1.692 -1.172 -1.204 122 HA ALA 21 HA ALA 21 -3.606 -0.764 -3.410 123 HB1 ALA 21 3HB ALA 21 -3.393 -2.921 -1.475 124 HB2 ALA 21 1HB ALA 21 -4.993 -2.178 -1.491 125 HB3 ALA 21 2HB ALA 21 -4.311 -2.835 -2.979 126 H PHE 22 H PHE 22 -5.455 0.445 -2.985 127 HA PHE 22 HA PHE 22 -5.819 1.604 -0.346 128 HB2 PHE 22 1HB PHE 22 -5.334 3.341 -2.775 129 HB3 PHE 22 2HB PHE 22 -5.777 3.914 -1.171 130 HD1 PHE 22 HD1 PHE 22 -4.174 3.560 0.728 131 HD2 PHE 22 HD2 PHE 22 -3.100 2.911 -3.339 132 HE1 PHE 22 HE1 PHE 22 -1.794 3.693 1.339 133 HE2 PHE 22 HE2 PHE 22 -0.719 3.042 -2.735 134 HZ PHE 22 HZ PHE 22 -0.063 3.433 -0.394 135 H THR 23 H THR 23 -7.837 2.812 -0.160 136 HA THR 23 HA THR 23 -9.880 1.672 -1.912 137 HB THR 23 HB THR 23 -10.281 3.203 0.662 138 HG1 THR 23 HG1 THR 23 -9.653 1.424 1.604 139 HG21 THR 23 3HG2 THR 23 -12.451 3.065 0.186 140 HG22 THR 23 1HG2 THR 23 -12.323 1.308 0.119 141 HG23 THR 23 2HG2 THR 23 -12.076 2.267 -1.341 142 H ILE 24 H ILE 24 -9.113 4.829 -0.438 143 HA ILE 24 HA ILE 24 -10.795 6.172 -2.397 144 HB ILE 24 HB ILE 24 -9.126 7.490 -0.264 145 HG12 ILE 24 1HG1 ILE 24 -12.010 6.636 0.012 146 HG13 ILE 24 2HG1 ILE 24 -10.663 5.696 0.646 147 HG21 ILE 24 1HG2 ILE 24 -11.303 8.324 -2.102 148 HG22 ILE 24 2HG2 ILE 24 -11.254 9.047 -0.495 149 HG23 ILE 24 3HG2 ILE 24 -9.868 9.202 -1.574 150 HD11 ILE 24 3HD1 ILE 24 -10.221 7.199 2.307 151 HD12 ILE 24 1HD1 ILE 24 -10.899 8.559 1.411 152 HD13 ILE 24 2HD1 ILE 24 -11.969 7.375 2.162 153 H ARG 25 H ARG 25 -10.049 7.005 -4.228 154 HA ARG 25 HA ARG 25 -7.597 6.680 -5.316 155 HB2 ARG 25 1HB ARG 25 -9.423 7.534 -6.632 156 HB3 ARG 25 2HB ARG 25 -9.472 9.017 -5.689 157 HG2 ARG 25 1HG ARG 25 -8.367 9.731 -7.555 158 HG3 ARG 25 2HG ARG 25 -7.007 9.274 -6.528 159 HD2 ARG 25 1HD ARG 25 -6.912 7.092 -7.644 160 HD3 ARG 25 2HD ARG 25 -8.257 7.569 -8.680 161 HE ARG 25 HE ARG 25 -6.477 9.512 -9.158 162 HH11 ARG 25 1HH1 ARG 25 -6.157 6.047 -9.071 163 HH12 ARG 25 2HH1 ARG 25 -4.883 6.004 -10.245 164 HH21 ARG 25 1HH2 ARG 25 -4.801 9.469 -10.704 165 HH22 ARG 25 2HH2 ARG 25 -4.112 7.952 -11.173 166 H SER 26 H SER 26 -8.549 9.210 -3.076 167 HA SER 26 HA SER 26 -6.214 10.796 -3.345 168 HB2 SER 26 1HB SER 26 -8.317 11.656 -2.374 169 HB3 SER 26 2HB SER 26 -8.108 10.583 -0.991 170 HG SER 26 HG SER 26 -6.636 11.879 -0.200 171 H ASN 27 H ASN 27 -7.197 8.451 -0.847 172 HA ASN 27 HA ASN 27 -5.058 8.484 0.819 173 HB2 ASN 27 1HB ASN 27 -6.878 6.316 -0.102 174 HB3 ASN 27 2HB ASN 27 -5.445 5.839 0.805 175 HD21 ASN 27 1HD2 ASN 27 -5.100 7.485 2.744 176 HD22 ASN 27 2HD2 ASN 27 -6.494 7.663 3.748 177 H LEU 28 H LEU 28 -5.164 7.168 -2.419 178 HA LEU 28 HA LEU 28 -2.681 5.775 -2.275 179 HB2 LEU 28 1HB LEU 28 -4.070 5.001 -3.954 180 HB3 LEU 28 2HB LEU 28 -4.519 6.625 -4.470 181 HG LEU 28 HG LEU 28 -2.323 6.905 -5.509 182 HD11 LEU 28 1HD1 LEU 28 -0.978 5.522 -4.065 183 HD12 LEU 28 2HD1 LEU 28 -0.832 4.948 -5.726 184 HD13 LEU 28 3HD1 LEU 28 -1.850 4.077 -4.578 185 HD21 LEU 28 3HD2 LEU 28 -2.732 5.585 -7.400 186 HD22 LEU 28 1HD2 LEU 28 -4.320 5.816 -6.668 187 HD23 LEU 28 2HD2 LEU 28 -3.462 4.291 -6.449 188 H ILE 29 H ILE 29 -3.642 8.898 -3.686 189 HA ILE 29 HA ILE 29 -1.305 9.763 -4.774 190 HB ILE 29 HB ILE 29 -3.176 11.445 -3.103 191 HG12 ILE 29 1HG1 ILE 29 -4.336 10.274 -4.909 192 HG13 ILE 29 2HG1 ILE 29 -4.230 11.995 -5.264 193 HG21 ILE 29 1HG2 ILE 29 -1.188 12.262 -5.218 194 HG22 ILE 29 2HG2 ILE 29 -2.325 13.333 -4.401 195 HG23 ILE 29 3HG2 ILE 29 -1.037 12.552 -3.486 196 HD11 ILE 29 3HD1 ILE 29 -3.805 10.635 -7.236 197 HD12 ILE 29 1HD1 ILE 29 -2.384 11.578 -6.787 198 HD13 ILE 29 2HD1 ILE 29 -2.454 9.856 -6.413 199 H LYS 30 H LYS 30 -2.234 10.204 -1.361 200 HA LYS 30 HA LYS 30 -0.014 11.494 -0.410 201 HB2 LYS 30 1HB LYS 30 -2.198 10.573 0.774 202 HB3 LYS 30 2HB LYS 30 -1.120 9.260 1.232 203 HG2 LYS 30 1HG LYS 30 -0.872 10.650 3.024 204 HG3 LYS 30 2HG LYS 30 0.440 11.226 1.993 205 HD2 LYS 30 1HD LYS 30 -1.204 12.935 1.095 206 HD3 LYS 30 2HD LYS 30 -2.271 12.462 2.419 207 HE2 LYS 30 1HE LYS 30 0.569 13.321 2.888 208 HE3 LYS 30 2HE LYS 30 -0.752 14.484 2.788 209 HZ1 LYS 30 3HZ LYS 30 -1.854 13.269 4.603 210 HZ2 LYS 30 1HZ LYS 30 -0.359 13.909 5.068 211 HZ3 LYS 30 2HZ LYS 30 -0.504 12.258 4.736 212 H HIS 31 H HIS 31 -0.445 7.951 -0.310 213 HA HIS 31 HA HIS 31 2.103 7.275 0.516 214 HB2 HIS 31 1HB HIS 31 0.702 5.453 0.524 215 HB3 HIS 31 2HB HIS 31 -0.027 5.871 -1.023 216 HD1 HIS 31 HD1 HIS 31 2.645 3.838 0.504 217 HD2 HIS 31 HD2 HIS 31 1.499 5.047 -3.302 218 HE1 HIS 31 HE1 HIS 31 3.907 2.350 -1.083 219 H GLN 32 H GLN 32 0.912 7.603 -2.820 220 HA GLN 32 HA GLN 32 3.216 6.913 -4.181 221 HB2 GLN 32 1HB GLN 32 0.902 8.693 -4.793 222 HB3 GLN 32 2HB GLN 32 2.294 8.739 -5.866 223 HG2 GLN 32 1HG GLN 32 1.997 6.125 -5.814 224 HG3 GLN 32 2HG GLN 32 0.344 6.554 -5.376 225 HE21 GLN 32 1HE2 GLN 32 1.281 5.250 -7.772 226 HE22 GLN 32 2HE2 GLN 32 0.817 6.254 -9.098 227 H LYS 33 H LYS 33 2.693 9.582 -2.151 228 HA LYS 33 HA LYS 33 4.467 11.450 -3.341 229 HB2 LYS 33 1HB LYS 33 4.071 12.779 -1.502 230 HB3 LYS 33 2HB LYS 33 2.648 11.746 -1.467 231 HG2 LYS 33 1HG LYS 33 4.032 10.261 0.118 232 HG3 LYS 33 2HG LYS 33 5.065 11.681 0.294 233 HD2 LYS 33 1HD LYS 33 3.305 12.971 1.196 234 HD3 LYS 33 2HD LYS 33 2.086 11.797 0.696 235 HE2 LYS 33 1HE LYS 33 2.253 11.271 2.913 236 HE3 LYS 33 2HE LYS 33 3.485 10.196 2.255 237 HZ1 LYS 33 3HZ LYS 33 4.911 12.406 2.702 238 HZ2 LYS 33 1HZ LYS 33 4.753 11.148 3.823 239 HZ3 LYS 33 2HZ LYS 33 3.778 12.524 3.953 240 H ILE 34 H ILE 34 5.034 8.506 -1.860 241 HA ILE 34 HA ILE 34 7.533 9.161 -0.588 242 HB ILE 34 HB ILE 34 7.755 6.847 -0.099 243 HG12 ILE 34 1HG1 ILE 34 5.409 6.144 -1.841 244 HG13 ILE 34 2HG1 ILE 34 7.033 6.217 -2.516 245 HG21 ILE 34 1HG2 ILE 34 6.204 7.231 1.450 246 HG22 ILE 34 2HG2 ILE 34 5.248 8.216 0.344 247 HG23 ILE 34 3HG2 ILE 34 5.046 6.464 0.364 248 HD11 ILE 34 3HD1 ILE 34 6.689 4.627 -0.053 249 HD12 ILE 34 1HD1 ILE 34 5.966 3.989 -1.529 250 HD13 ILE 34 2HD1 ILE 34 7.696 4.330 -1.470 251 H HIS 35 H HIS 35 6.489 8.237 -3.746 252 HA HIS 35 HA HIS 35 9.135 7.402 -4.599 253 HB2 HIS 35 1HB HIS 35 6.634 7.806 -6.252 254 HB3 HIS 35 2HB HIS 35 8.103 6.976 -6.759 255 HD1 HIS 35 HD1 HIS 35 8.667 4.761 -5.222 256 HD2 HIS 35 HD2 HIS 35 4.751 6.149 -5.234 257 HE1 HIS 35 HE1 HIS 35 7.270 2.840 -4.395 258 H THR 36 H THR 36 8.288 10.236 -3.730 259 HA THR 36 HA THR 36 8.654 11.848 -6.074 260 HB THR 36 HB THR 36 8.941 13.716 -4.353 261 HG1 THR 36 HG1 THR 36 9.347 11.823 -2.707 262 HG21 THR 36 3HG2 THR 36 6.573 12.123 -4.997 263 HG22 THR 36 1HG2 THR 36 6.810 13.869 -5.048 264 HG23 THR 36 2HG2 THR 36 6.406 13.077 -3.524 265 H LYS 37 H LYS 37 10.717 10.451 -3.656 266 HA LYS 37 HA LYS 37 12.988 12.114 -4.361 267 HB2 LYS 37 1HB LYS 37 14.203 10.806 -2.689 268 HB3 LYS 37 2HB LYS 37 12.687 11.411 -2.033 269 HG2 LYS 37 1HG LYS 37 12.593 9.279 -1.267 270 HG3 LYS 37 2HG LYS 37 11.818 9.044 -2.835 271 HD2 LYS 37 1HD LYS 37 13.396 7.312 -2.674 272 HD3 LYS 37 2HD LYS 37 14.152 8.516 -3.720 273 HE2 LYS 37 1HE LYS 37 15.888 8.065 -2.299 274 HE3 LYS 37 2HE LYS 37 15.123 9.401 -1.441 275 HZ1 LYS 37 3HZ LYS 37 14.295 6.646 -0.841 276 HZ2 LYS 37 1HZ LYS 37 14.280 8.013 0.157 277 HZ3 LYS 37 2HZ LYS 37 15.741 7.232 -0.187 278 H GLN 38 H GLN 38 15.121 10.871 -4.745 279 HA GLN 38 HA GLN 38 14.880 8.417 -6.237 280 HB2 GLN 38 1HB GLN 38 15.512 11.027 -7.607 281 HB3 GLN 38 2HB GLN 38 15.981 9.471 -8.280 282 HG2 GLN 38 1HG GLN 38 13.575 8.808 -8.213 283 HG3 GLN 38 2HG GLN 38 13.194 10.466 -7.753 284 HE21 GLN 38 1HE2 GLN 38 12.536 8.834 -10.154 285 HE22 GLN 38 2HE2 GLN 38 13.049 9.791 -11.498 286 H LYS 39 H LYS 39 17.081 7.821 -7.207 287 HA LYS 39 HA LYS 39 19.035 8.082 -5.122 288 HB2 LYS 39 1HB LYS 39 18.775 5.961 -6.280 289 HB3 LYS 39 2HB LYS 39 19.159 6.721 -7.819 290 HG2 LYS 39 1HG LYS 39 21.181 5.814 -7.352 291 HG3 LYS 39 2HG LYS 39 21.380 7.362 -6.527 292 HD2 LYS 39 1HD LYS 39 20.463 6.167 -4.457 293 HD3 LYS 39 2HD LYS 39 20.761 4.670 -5.343 294 HE2 LYS 39 1HE LYS 39 22.857 6.777 -4.842 295 HE3 LYS 39 2HE LYS 39 22.610 5.372 -3.807 296 HZ1 LYS 39 3HZ LYS 39 23.514 5.427 -6.624 297 HZ2 LYS 39 1HZ LYS 39 22.938 4.013 -5.894 298 HZ3 LYS 39 2HZ LYS 39 24.313 4.782 -5.280 299 HA PRO 40 HA PRO 40 21.212 11.571 -6.717 300 HB2 PRO 40 1HB PRO 40 23.557 11.208 -5.397 301 HB3 PRO 40 2HB PRO 40 22.088 11.791 -4.605 302 HG2 PRO 40 1HG PRO 40 23.246 9.030 -4.655 303 HG3 PRO 40 2HG PRO 40 22.543 9.924 -3.294 304 HD2 PRO 40 1HD PRO 40 21.171 8.028 -4.656 305 HD3 PRO 40 2HD PRO 40 20.381 9.444 -3.932 306 H SER 41 H SER 41 23.194 12.115 -7.900 307 HA SER 41 HA SER 41 23.701 10.309 -10.002 308 HB2 SER 41 1HB SER 41 25.379 12.698 -9.205 309 HB3 SER 41 2HB SER 41 25.315 11.934 -10.793 310 HG SER 41 HG SER 41 23.370 12.795 -11.153 311 H GLY 42 H GLY 42 26.074 11.582 -7.655 312 HA2 GLY 42 1HA GLY 42 27.135 8.934 -7.187 313 HA3 GLY 42 2HA GLY 42 28.194 9.973 -8.128 314 HA PRO 43 HA PRO 43 28.267 10.815 -3.380 315 HB2 PRO 43 1HB PRO 43 30.116 9.015 -2.536 316 HB3 PRO 43 2HB PRO 43 28.380 8.684 -2.530 317 HG2 PRO 43 1HG PRO 43 30.458 7.859 -4.520 318 HG3 PRO 43 2HG PRO 43 29.126 6.910 -3.835 319 HD2 PRO 43 1HD PRO 43 29.000 8.031 -6.296 320 HD3 PRO 43 2HD PRO 43 27.569 7.827 -5.266 321 H SER 44 H SER 44 30.321 10.575 -6.037 322 HA SER 44 HA SER 44 32.851 11.133 -5.255 323 HB2 SER 44 1HB SER 44 31.248 12.356 -7.500 324 HB3 SER 44 2HB SER 44 32.968 12.680 -7.286 325 HG SER 44 HG SER 44 32.914 10.155 -7.162 326 H SER 45 H SER 45 34.065 13.145 -5.041 327 HA SER 45 HA SER 45 32.715 15.580 -4.389 328 HB2 SER 45 1HB SER 45 33.548 15.625 -1.998 329 HB3 SER 45 2HB SER 45 32.215 14.512 -2.306 330 HG SER 45 HG SER 45 33.521 13.139 -1.376 331 H GLY 46 H GLY 46 34.058 17.271 -4.657 332 HA2 GLY 46 1HA GLY 46 36.960 16.774 -4.540 333 HA3 GLY 46 2HA GLY 46 36.255 17.530 -5.962 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -4.633 -30.296 0.668 2 HA2 GLY 1 1HA GLY 1 -1.830 -30.331 1.581 3 HA3 GLY 1 2HA GLY 1 -2.229 -29.760 -0.032 4 H SER 2 H SER 2 -1.724 -27.644 0.086 5 HA SER 2 HA SER 2 -3.379 -25.985 1.811 6 HB2 SER 2 1HB SER 2 -1.378 -24.637 2.522 7 HB3 SER 2 2HB SER 2 -1.439 -26.259 3.211 8 HG SER 2 HG SER 2 0.228 -26.860 2.002 9 H SER 3 H SER 3 -4.370 -24.802 0.306 10 HA SER 3 HA SER 3 -2.737 -23.628 -1.847 11 HB2 SER 3 1HB SER 3 -4.684 -23.587 -3.235 12 HB3 SER 3 2HB SER 3 -4.620 -25.191 -2.506 13 HG SER 3 HG SER 3 -6.706 -23.950 -2.487 14 H GLY 4 H GLY 4 -3.684 -21.501 -2.679 15 HA2 GLY 4 1HA GLY 4 -5.228 -19.861 -0.965 16 HA3 GLY 4 2HA GLY 4 -3.519 -19.565 -0.681 17 H SER 5 H SER 5 -3.161 -17.621 -1.567 18 HA SER 5 HA SER 5 -3.043 -17.336 -4.373 19 HB2 SER 5 1HB SER 5 -5.541 -17.126 -3.965 20 HB3 SER 5 2HB SER 5 -5.188 -15.632 -3.096 21 HG SER 5 HG SER 5 -4.966 -14.661 -4.939 22 H SER 6 H SER 6 -1.635 -15.759 -4.887 23 HA SER 6 HA SER 6 -0.386 -14.304 -2.741 24 HB2 SER 6 1HB SER 6 1.217 -13.579 -4.417 25 HB3 SER 6 2HB SER 6 0.915 -15.305 -4.614 26 HG SER 6 HG SER 6 -0.635 -14.671 -6.268 27 H GLY 7 H GLY 7 -0.242 -12.059 -2.516 28 HA2 GLY 7 1HA GLY 7 -0.842 -9.840 -2.813 29 HA3 GLY 7 2HA GLY 7 -1.695 -10.301 -4.278 30 H THR 8 H THR 8 -3.790 -11.444 -3.961 31 HA THR 8 HA THR 8 -5.941 -11.357 -3.211 32 HB THR 8 HB THR 8 -5.002 -11.220 -0.378 33 HG1 THR 8 HG1 THR 8 -4.262 -13.325 -0.474 34 HG21 THR 8 3HG2 THR 8 -7.330 -11.520 -0.620 35 HG22 THR 8 1HG2 THR 8 -6.695 -13.122 -0.247 36 HG23 THR 8 2HG2 THR 8 -7.125 -12.708 -1.907 37 H GLY 9 H GLY 9 -5.236 -8.924 -4.008 38 HA2 GLY 9 1HA GLY 9 -5.493 -6.930 -1.957 39 HA3 GLY 9 2HA GLY 9 -5.489 -6.648 -3.692 40 H GLU 10 H GLU 10 -7.259 -5.934 -1.210 41 HA GLU 10 HA GLU 10 -9.834 -6.627 -2.457 42 HB2 GLU 10 1HB GLU 10 -9.082 -6.040 0.397 43 HB3 GLU 10 2HB GLU 10 -10.749 -5.952 -0.152 44 HG2 GLU 10 1HG GLU 10 -10.346 -8.346 -1.027 45 HG3 GLU 10 2HG GLU 10 -8.961 -8.334 0.064 46 H LYS 11 H LYS 11 -8.321 -4.541 -3.524 47 HA LYS 11 HA LYS 11 -10.145 -2.314 -3.066 48 HB2 LYS 11 1HB LYS 11 -7.199 -2.249 -2.557 49 HB3 LYS 11 2HB LYS 11 -7.979 -0.814 -3.208 50 HG2 LYS 11 1HG LYS 11 -9.132 -0.396 -1.290 51 HG3 LYS 11 2HG LYS 11 -9.205 -2.099 -0.831 52 HD2 LYS 11 1HD LYS 11 -6.553 -0.739 -0.887 53 HD3 LYS 11 2HD LYS 11 -7.650 -0.405 0.455 54 HE2 LYS 11 1HE LYS 11 -7.105 -3.230 -0.354 55 HE3 LYS 11 2HE LYS 11 -5.924 -2.357 0.621 56 HZ1 LYS 11 3HZ LYS 11 -8.576 -2.054 1.630 57 HZ2 LYS 11 1HZ LYS 11 -7.179 -2.586 2.422 58 HZ3 LYS 11 2HZ LYS 11 -8.126 -3.682 1.549 59 HA PRO 12 HA PRO 12 -9.936 -2.077 -7.456 60 HB2 PRO 12 1HB PRO 12 -10.834 0.462 -7.796 61 HB3 PRO 12 2HB PRO 12 -11.891 -0.878 -7.335 62 HG2 PRO 12 1HG PRO 12 -10.645 1.231 -5.614 63 HG3 PRO 12 2HG PRO 12 -12.295 0.583 -5.572 64 HD2 PRO 12 1HD PRO 12 -10.374 -0.208 -3.835 65 HD3 PRO 12 2HD PRO 12 -11.663 -1.294 -4.394 66 H TYR 13 H TYR 13 -8.432 0.449 -5.508 67 HA TYR 13 HA TYR 13 -6.766 1.309 -7.734 68 HB2 TYR 13 1HB TYR 13 -6.778 2.259 -4.862 69 HB3 TYR 13 2HB TYR 13 -5.947 3.027 -6.210 70 HD1 TYR 13 HD1 TYR 13 -9.241 2.334 -4.714 71 HD2 TYR 13 HD2 TYR 13 -7.129 4.421 -7.761 72 HE1 TYR 13 HE1 TYR 13 -11.244 3.687 -5.167 73 HE2 TYR 13 HE2 TYR 13 -9.126 5.781 -8.222 74 HH TYR 13 HH TYR 13 -12.210 5.037 -6.857 75 H ILE 14 H ILE 14 -4.648 0.847 -7.988 76 HA ILE 14 HA ILE 14 -3.221 -0.539 -5.841 77 HB ILE 14 HB ILE 14 -3.467 -1.595 -8.658 78 HG12 ILE 14 1HG1 ILE 14 -5.360 -2.167 -7.216 79 HG13 ILE 14 2HG1 ILE 14 -4.386 -3.594 -7.552 80 HG21 ILE 14 1HG2 ILE 14 -1.634 -2.364 -6.404 81 HG22 ILE 14 2HG2 ILE 14 -2.011 -3.456 -7.736 82 HG23 ILE 14 3HG2 ILE 14 -1.211 -1.918 -8.057 83 HD11 ILE 14 3HD1 ILE 14 -4.273 -3.968 -5.381 84 HD12 ILE 14 1HD1 ILE 14 -3.360 -2.471 -5.194 85 HD13 ILE 14 2HD1 ILE 14 -5.117 -2.458 -5.042 86 H CYS 15 H CYS 15 -1.269 0.306 -5.565 87 HA CYS 15 HA CYS 15 -0.240 2.242 -7.424 88 HB2 CYS 15 1HB CYS 15 -0.033 2.539 -4.978 89 HB3 CYS 15 2HB CYS 15 1.011 1.123 -4.907 90 H ALA 16 H ALA 16 -0.043 0.702 -9.227 91 HA ALA 16 HA ALA 16 1.422 -1.533 -9.485 92 HB1 ALA 16 3HB ALA 16 0.415 -0.636 -11.421 93 HB2 ALA 16 1HB ALA 16 1.356 0.852 -11.315 94 HB3 ALA 16 2HB ALA 16 2.148 -0.664 -11.749 95 H GLU 17 H GLU 17 2.787 1.739 -9.314 96 HA GLU 17 HA GLU 17 5.393 1.440 -9.823 97 HB2 GLU 17 1HB GLU 17 4.187 2.837 -7.434 98 HB3 GLU 17 2HB GLU 17 5.873 3.005 -7.904 99 HG2 GLU 17 1HG GLU 17 3.758 3.552 -9.922 100 HG3 GLU 17 2HG GLU 17 4.073 4.746 -8.664 101 H CYS 18 H CYS 18 4.064 0.732 -6.587 102 HA CYS 18 HA CYS 18 6.379 -1.023 -6.116 103 HB2 CYS 18 1HB CYS 18 5.947 -0.729 -3.731 104 HB3 CYS 18 2HB CYS 18 6.123 0.836 -4.517 105 H GLY 19 H GLY 19 2.862 -0.799 -5.654 106 HA2 GLY 19 1HA GLY 19 1.613 -2.812 -6.415 107 HA3 GLY 19 2HA GLY 19 2.803 -3.752 -5.528 108 H LYS 20 H LYS 20 1.236 -0.760 -4.490 109 HA LYS 20 HA LYS 20 0.245 -2.187 -2.130 110 HB2 LYS 20 1HB LYS 20 1.660 0.049 -2.158 111 HB3 LYS 20 2HB LYS 20 0.081 0.783 -2.404 112 HG2 LYS 20 1HG LYS 20 -0.734 -0.170 -0.347 113 HG3 LYS 20 2HG LYS 20 0.780 -1.050 -0.119 114 HD2 LYS 20 1HD LYS 20 1.983 0.909 0.325 115 HD3 LYS 20 2HD LYS 20 0.732 1.941 -0.372 116 HE2 LYS 20 1HE LYS 20 -0.691 1.641 1.476 117 HE3 LYS 20 2HE LYS 20 0.229 0.258 2.065 118 HZ1 LYS 20 3HZ LYS 20 1.602 2.834 1.867 119 HZ2 LYS 20 1HZ LYS 20 1.812 1.582 2.986 120 HZ3 LYS 20 2HZ LYS 20 0.491 2.629 3.126 121 H ALA 21 H ALA 21 -1.894 -1.433 -1.262 122 HA ALA 21 HA ALA 21 -3.787 -0.929 -3.465 123 HB1 ALA 21 3HB ALA 21 -5.269 -2.273 -1.593 124 HB2 ALA 21 1HB ALA 21 -4.558 -2.984 -3.042 125 HB3 ALA 21 2HB ALA 21 -3.707 -3.085 -1.500 126 H PHE 22 H PHE 22 -5.370 0.557 -3.132 127 HA PHE 22 HA PHE 22 -5.607 1.742 -0.454 128 HB2 PHE 22 1HB PHE 22 -5.261 3.236 -3.058 129 HB3 PHE 22 2HB PHE 22 -5.772 3.994 -1.554 130 HD1 PHE 22 HD1 PHE 22 -4.220 4.294 0.280 131 HD2 PHE 22 HD2 PHE 22 -2.989 2.498 -3.377 132 HE1 PHE 22 HE1 PHE 22 -1.865 4.608 0.923 133 HE2 PHE 22 HE2 PHE 22 -0.633 2.808 -2.740 134 HZ PHE 22 HZ PHE 22 -0.068 3.863 -0.588 135 H THR 23 H THR 23 -7.617 2.745 -0.002 136 HA THR 23 HA THR 23 -9.814 1.618 -1.561 137 HB THR 23 HB THR 23 -9.949 3.063 1.091 138 HG1 THR 23 HG1 THR 23 -9.778 1.091 2.037 139 HG21 THR 23 3HG2 THR 23 -11.923 1.298 -0.361 140 HG22 THR 23 1HG2 THR 23 -12.075 3.032 -0.079 141 HG23 THR 23 2HG2 THR 23 -12.128 1.909 1.280 142 H ILE 24 H ILE 24 -8.573 4.731 -0.454 143 HA ILE 24 HA ILE 24 -10.587 6.080 -2.125 144 HB ILE 24 HB ILE 24 -8.881 7.462 -0.072 145 HG12 ILE 24 1HG1 ILE 24 -11.638 6.344 0.450 146 HG13 ILE 24 2HG1 ILE 24 -10.161 5.513 0.926 147 HG21 ILE 24 1HG2 ILE 24 -11.106 8.848 -0.064 148 HG22 ILE 24 2HG2 ILE 24 -9.905 9.084 -1.332 149 HG23 ILE 24 3HG2 ILE 24 -11.332 8.097 -1.643 150 HD11 ILE 24 3HD1 ILE 24 -9.935 8.135 1.893 151 HD12 ILE 24 1HD1 ILE 24 -11.573 7.600 2.264 152 HD13 ILE 24 2HD1 ILE 24 -10.191 6.654 2.815 153 H ARG 25 H ARG 25 -9.966 7.183 -3.876 154 HA ARG 25 HA ARG 25 -7.527 6.913 -5.089 155 HB2 ARG 25 1HB ARG 25 -9.158 7.723 -6.507 156 HB3 ARG 25 2HB ARG 25 -9.723 8.917 -5.347 157 HG2 ARG 25 1HG ARG 25 -7.698 10.247 -5.754 158 HG3 ARG 25 2HG ARG 25 -7.181 9.061 -6.954 159 HD2 ARG 25 1HD ARG 25 -8.191 10.638 -8.289 160 HD3 ARG 25 2HD ARG 25 -9.529 9.526 -7.998 161 HE ARG 25 HE ARG 25 -9.340 11.721 -6.129 162 HH11 ARG 25 1HH1 ARG 25 -10.683 10.564 -9.125 163 HH12 ARG 25 2HH1 ARG 25 -12.004 11.685 -9.117 164 HH21 ARG 25 1HH2 ARG 25 -11.075 13.202 -6.107 165 HH22 ARG 25 2HH2 ARG 25 -12.226 13.185 -7.400 166 H SER 26 H SER 26 -8.547 9.433 -2.840 167 HA SER 26 HA SER 26 -6.289 11.095 -3.105 168 HB2 SER 26 1HB SER 26 -8.410 10.741 -1.019 169 HB3 SER 26 2HB SER 26 -7.003 11.741 -0.656 170 HG SER 26 HG SER 26 -8.603 13.032 -1.547 171 H ASN 27 H ASN 27 -7.011 8.438 -0.870 172 HA ASN 27 HA ASN 27 -4.747 8.616 0.740 173 HB2 ASN 27 1HB ASN 27 -6.864 7.078 0.895 174 HB3 ASN 27 2HB ASN 27 -5.872 5.942 -0.014 175 HD21 ASN 27 1HD2 ASN 27 -6.919 6.299 2.885 176 HD22 ASN 27 2HD2 ASN 27 -5.540 5.881 3.839 177 H LEU 28 H LEU 28 -5.152 7.302 -2.467 178 HA LEU 28 HA LEU 28 -2.599 5.966 -2.491 179 HB2 LEU 28 1HB LEU 28 -4.202 4.961 -3.857 180 HB3 LEU 28 2HB LEU 28 -4.724 6.502 -4.533 181 HG LEU 28 HG LEU 28 -2.651 6.642 -5.823 182 HD11 LEU 28 1HD1 LEU 28 -0.890 5.255 -5.600 183 HD12 LEU 28 2HD1 LEU 28 -1.900 3.847 -5.276 184 HD13 LEU 28 3HD1 LEU 28 -1.559 5.002 -3.988 185 HD21 LEU 28 3HD2 LEU 28 -3.274 5.144 -7.482 186 HD22 LEU 28 1HD2 LEU 28 -4.764 5.353 -6.563 187 HD23 LEU 28 2HD2 LEU 28 -3.776 3.912 -6.323 188 H ILE 29 H ILE 29 -3.846 9.096 -3.325 189 HA ILE 29 HA ILE 29 -1.721 9.910 -5.027 190 HB ILE 29 HB ILE 29 -3.750 11.478 -3.445 191 HG12 ILE 29 1HG1 ILE 29 -3.455 11.261 -6.435 192 HG13 ILE 29 2HG1 ILE 29 -4.366 10.075 -5.508 193 HG21 ILE 29 1HG2 ILE 29 -2.417 13.253 -3.625 194 HG22 ILE 29 2HG2 ILE 29 -1.292 12.393 -4.675 195 HG23 ILE 29 3HG2 ILE 29 -2.712 13.181 -5.362 196 HD11 ILE 29 3HD1 ILE 29 -5.504 12.311 -4.590 197 HD12 ILE 29 1HD1 ILE 29 -5.026 12.862 -6.195 198 HD13 ILE 29 2HD1 ILE 29 -6.071 11.451 -6.021 199 H LYS 30 H LYS 30 -2.388 10.409 -1.574 200 HA LYS 30 HA LYS 30 -0.164 12.000 -0.988 201 HB2 LYS 30 1HB LYS 30 -0.766 11.773 1.211 202 HB3 LYS 30 2HB LYS 30 -2.264 11.256 0.447 203 HG2 LYS 30 1HG LYS 30 -1.698 8.945 0.776 204 HG3 LYS 30 2HG LYS 30 -0.102 9.384 1.388 205 HD2 LYS 30 1HD LYS 30 -0.998 10.309 3.360 206 HD3 LYS 30 2HD LYS 30 -2.633 10.346 2.695 207 HE2 LYS 30 1HE LYS 30 -2.598 7.859 2.642 208 HE3 LYS 30 2HE LYS 30 -1.035 7.904 3.457 209 HZ1 LYS 30 3HZ LYS 30 -2.193 9.211 5.246 210 HZ2 LYS 30 1HZ LYS 30 -2.645 7.585 5.122 211 HZ3 LYS 30 2HZ LYS 30 -3.657 8.793 4.508 212 H HIS 31 H HIS 31 -0.542 8.488 -1.057 213 HA HIS 31 HA HIS 31 1.857 7.710 0.082 214 HB2 HIS 31 1HB HIS 31 0.347 5.980 -0.384 215 HB3 HIS 31 2HB HIS 31 0.135 6.488 -2.057 216 HD1 HIS 31 HD1 HIS 31 2.753 4.879 0.164 217 HD2 HIS 31 HD2 HIS 31 1.715 5.175 -3.848 218 HE1 HIS 31 HE1 HIS 31 4.287 3.296 -1.046 219 H GLN 32 H GLN 32 1.191 8.474 -3.326 220 HA GLN 32 HA GLN 32 3.479 7.903 -4.596 221 HB2 GLN 32 1HB GLN 32 1.876 10.451 -4.774 222 HB3 GLN 32 2HB GLN 32 3.185 10.072 -5.885 223 HG2 GLN 32 1HG GLN 32 2.001 8.034 -6.563 224 HG3 GLN 32 2HG GLN 32 0.677 8.458 -5.479 225 HE21 GLN 32 1HE2 GLN 32 -0.244 8.129 -7.808 226 HE22 GLN 32 2HE2 GLN 32 -0.472 9.590 -8.700 227 H LYS 33 H LYS 33 3.116 10.305 -2.108 228 HA LYS 33 HA LYS 33 5.404 11.840 -2.511 229 HB2 LYS 33 1HB LYS 33 3.857 11.088 -0.046 230 HB3 LYS 33 2HB LYS 33 5.305 12.080 0.066 231 HG2 LYS 33 1HG LYS 33 3.054 12.821 -1.766 232 HG3 LYS 33 2HG LYS 33 3.031 13.252 -0.055 233 HD2 LYS 33 1HD LYS 33 5.374 13.907 -1.818 234 HD3 LYS 33 2HD LYS 33 3.970 14.972 -1.706 235 HE2 LYS 33 1HE LYS 33 4.306 14.961 0.790 236 HE3 LYS 33 2HE LYS 33 5.839 14.139 0.504 237 HZ1 LYS 33 3HZ LYS 33 6.775 16.090 0.109 238 HZ2 LYS 33 1HZ LYS 33 5.307 16.879 0.402 239 HZ3 LYS 33 2HZ LYS 33 5.704 16.386 -1.166 240 H ILE 34 H ILE 34 5.007 8.906 -0.533 241 HA ILE 34 HA ILE 34 7.636 8.704 0.373 242 HB ILE 34 HB ILE 34 7.182 6.448 0.939 243 HG12 ILE 34 1HG1 ILE 34 4.851 5.558 -0.062 244 HG13 ILE 34 2HG1 ILE 34 5.355 6.586 -1.399 245 HG21 ILE 34 1HG2 ILE 34 4.469 7.734 1.026 246 HG22 ILE 34 2HG2 ILE 34 5.202 6.639 2.196 247 HG23 ILE 34 3HG2 ILE 34 5.809 8.286 2.030 248 HD11 ILE 34 3HD1 ILE 34 6.101 4.369 -1.830 249 HD12 ILE 34 1HD1 ILE 34 7.513 5.352 -1.440 250 HD13 ILE 34 2HD1 ILE 34 6.844 4.250 -0.235 251 H HIS 35 H HIS 35 6.342 8.187 -2.755 252 HA HIS 35 HA HIS 35 8.512 6.485 -3.647 253 HB2 HIS 35 1HB HIS 35 5.999 7.544 -4.835 254 HB3 HIS 35 2HB HIS 35 7.308 7.142 -5.942 255 HD1 HIS 35 HD1 HIS 35 8.208 4.591 -5.725 256 HD2 HIS 35 HD2 HIS 35 4.500 5.417 -4.042 257 HE1 HIS 35 HE1 HIS 35 7.097 2.357 -5.417 258 H THR 36 H THR 36 7.953 9.798 -3.262 259 HA THR 36 HA THR 36 9.979 10.504 -5.273 260 HB THR 36 HB THR 36 9.220 12.815 -5.043 261 HG1 THR 36 HG1 THR 36 8.505 12.420 -2.760 262 HG21 THR 36 3HG2 THR 36 6.590 12.038 -5.467 263 HG22 THR 36 1HG2 THR 36 7.536 10.623 -5.928 264 HG23 THR 36 2HG2 THR 36 7.850 12.182 -6.692 265 H LYS 37 H LYS 37 9.715 9.830 -2.043 266 HA LYS 37 HA LYS 37 11.506 11.849 -1.029 267 HB2 LYS 37 1HB LYS 37 9.773 10.849 0.404 268 HB3 LYS 37 2HB LYS 37 10.539 9.275 0.232 269 HG2 LYS 37 1HG LYS 37 12.377 9.894 1.527 270 HG3 LYS 37 2HG LYS 37 12.032 11.617 1.355 271 HD2 LYS 37 1HD LYS 37 9.794 10.954 2.570 272 HD3 LYS 37 2HD LYS 37 10.759 9.586 3.130 273 HE2 LYS 37 1HE LYS 37 11.189 11.083 4.803 274 HE3 LYS 37 2HE LYS 37 12.497 11.487 3.693 275 HZ1 LYS 37 3HZ LYS 37 10.265 13.076 4.534 276 HZ2 LYS 37 1HZ LYS 37 10.436 13.044 2.851 277 HZ3 LYS 37 2HZ LYS 37 11.723 13.555 3.823 278 H GLN 38 H GLN 38 11.768 8.688 -2.414 279 HA GLN 38 HA GLN 38 14.104 7.680 -1.429 280 HB2 GLN 38 1HB GLN 38 14.244 6.371 -3.334 281 HB3 GLN 38 2HB GLN 38 12.546 6.830 -3.338 282 HG2 GLN 38 1HG GLN 38 12.974 8.544 -4.982 283 HG3 GLN 38 2HG GLN 38 14.702 8.200 -4.928 284 HE21 GLN 38 1HE2 GLN 38 15.300 7.209 -6.708 285 HE22 GLN 38 2HE2 GLN 38 14.438 5.950 -7.516 286 H LYS 39 H LYS 39 13.688 10.520 -3.356 287 HA LYS 39 HA LYS 39 16.076 10.916 -4.600 288 HB2 LYS 39 1HB LYS 39 14.456 12.928 -3.032 289 HB3 LYS 39 2HB LYS 39 15.769 13.358 -4.121 290 HG2 LYS 39 1HG LYS 39 13.459 11.721 -5.087 291 HG3 LYS 39 2HG LYS 39 13.345 13.479 -4.976 292 HD2 LYS 39 1HD LYS 39 15.678 12.228 -6.364 293 HD3 LYS 39 2HD LYS 39 14.128 12.355 -7.199 294 HE2 LYS 39 1HE LYS 39 15.241 14.308 -7.808 295 HE3 LYS 39 2HE LYS 39 14.187 14.826 -6.494 296 HZ1 LYS 39 3HZ LYS 39 16.840 13.939 -5.715 297 HZ2 LYS 39 1HZ LYS 39 15.923 15.243 -5.148 298 HZ3 LYS 39 2HZ LYS 39 16.782 15.381 -6.598 299 HA PRO 40 HA PRO 40 19.231 10.914 -1.530 300 HB2 PRO 40 1HB PRO 40 21.117 12.352 -2.850 301 HB3 PRO 40 2HB PRO 40 20.714 10.683 -3.269 302 HG2 PRO 40 1HG PRO 40 19.806 13.230 -4.553 303 HG3 PRO 40 2HG PRO 40 20.333 11.719 -5.316 304 HD2 PRO 40 1HD PRO 40 17.721 12.382 -5.046 305 HD3 PRO 40 2HD PRO 40 18.289 10.701 -4.999 306 H SER 41 H SER 41 21.027 12.759 -0.866 307 HA SER 41 HA SER 41 21.362 14.622 0.396 308 HB2 SER 41 1HB SER 41 19.245 15.791 -1.426 309 HB3 SER 41 2HB SER 41 20.314 16.720 -0.375 310 HG SER 41 HG SER 41 21.998 15.383 -1.658 311 H GLY 42 H GLY 42 19.667 12.719 1.496 312 HA2 GLY 42 1HA GLY 42 17.897 12.412 2.965 313 HA3 GLY 42 2HA GLY 42 18.631 13.821 3.716 314 HA PRO 43 HA PRO 43 14.265 14.942 2.782 315 HB2 PRO 43 1HB PRO 43 13.899 16.325 5.090 316 HB3 PRO 43 2HB PRO 43 13.677 14.575 4.972 317 HG2 PRO 43 1HG PRO 43 16.026 16.122 5.998 318 HG3 PRO 43 2HG PRO 43 15.262 14.670 6.671 319 HD2 PRO 43 1HD PRO 43 17.543 14.575 5.214 320 HD3 PRO 43 2HD PRO 43 16.344 13.266 5.198 321 H SER 44 H SER 44 15.199 16.283 1.099 322 HA SER 44 HA SER 44 16.303 18.851 1.774 323 HB2 SER 44 1HB SER 44 16.411 19.229 -0.618 324 HB3 SER 44 2HB SER 44 16.955 17.586 -0.278 325 HG SER 44 HG SER 44 14.487 17.220 -0.658 326 H SER 45 H SER 45 13.929 18.704 3.059 327 HA SER 45 HA SER 45 11.964 20.147 1.442 328 HB2 SER 45 1HB SER 45 10.382 19.683 3.191 329 HB3 SER 45 2HB SER 45 11.272 18.194 2.875 330 HG SER 45 HG SER 45 12.305 18.387 4.760 331 H GLY 46 H GLY 46 10.730 21.891 2.785 332 HA2 GLY 46 1HA GLY 46 12.565 23.997 3.275 333 HA3 GLY 46 2HA GLY 46 10.833 24.049 3.568 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -11.030 -27.496 5.808 2 HA2 GLY 1 1HA GLY 1 -10.394 -25.939 7.709 3 HA3 GLY 1 2HA GLY 1 -9.682 -27.374 8.431 4 H SER 2 H SER 2 -9.224 -24.768 6.289 5 HA SER 2 HA SER 2 -6.515 -25.736 5.706 6 HB2 SER 2 1HB SER 2 -8.587 -24.829 3.748 7 HB3 SER 2 2HB SER 2 -6.895 -24.450 3.428 8 HG SER 2 HG SER 2 -8.099 -26.687 2.898 9 H SER 3 H SER 3 -5.308 -24.371 6.864 10 HA SER 3 HA SER 3 -5.957 -21.502 6.779 11 HB2 SER 3 1HB SER 3 -5.757 -22.832 9.011 12 HB3 SER 3 2HB SER 3 -4.020 -22.722 8.727 13 HG SER 3 HG SER 3 -4.828 -20.978 9.992 14 H GLY 4 H GLY 4 -4.956 -21.131 4.759 15 HA2 GLY 4 1HA GLY 4 -2.249 -20.350 4.904 16 HA3 GLY 4 2HA GLY 4 -2.356 -21.887 4.058 17 H SER 5 H SER 5 -4.662 -19.205 3.984 18 HA SER 5 HA SER 5 -4.189 -19.009 1.084 19 HB2 SER 5 1HB SER 5 -6.662 -18.620 2.755 20 HB3 SER 5 2HB SER 5 -6.539 -17.928 1.138 21 HG SER 5 HG SER 5 -6.130 -20.059 0.366 22 H SER 6 H SER 6 -2.477 -17.513 1.307 23 HA SER 6 HA SER 6 -3.279 -14.852 2.284 24 HB2 SER 6 1HB SER 6 -0.563 -16.158 2.091 25 HB3 SER 6 2HB SER 6 -0.772 -14.430 2.375 26 HG SER 6 HG SER 6 -2.229 -15.251 4.168 27 H GLY 7 H GLY 7 -2.976 -13.056 1.000 28 HA2 GLY 7 1HA GLY 7 -2.065 -11.940 -0.918 29 HA3 GLY 7 2HA GLY 7 -1.920 -13.502 -1.710 30 H THR 8 H THR 8 -4.668 -11.988 -0.042 31 HA THR 8 HA THR 8 -6.114 -11.904 -2.595 32 HB THR 8 HB THR 8 -8.173 -12.725 -1.349 33 HG1 THR 8 HG1 THR 8 -7.622 -12.725 0.762 34 HG21 THR 8 3HG2 THR 8 -7.496 -14.328 -2.815 35 HG22 THR 8 1HG2 THR 8 -7.120 -15.185 -1.321 36 HG23 THR 8 2HG2 THR 8 -5.843 -14.347 -2.202 37 H GLY 9 H GLY 9 -7.362 -10.135 -2.864 38 HA2 GLY 9 1HA GLY 9 -8.929 -8.647 -1.407 39 HA3 GLY 9 2HA GLY 9 -7.405 -8.205 -0.651 40 H GLU 10 H GLU 10 -8.666 -8.565 -3.971 41 HA GLU 10 HA GLU 10 -6.961 -6.601 -5.067 42 HB2 GLU 10 1HB GLU 10 -9.585 -7.712 -6.073 43 HB3 GLU 10 2HB GLU 10 -8.527 -6.671 -7.015 44 HG2 GLU 10 1HG GLU 10 -6.735 -8.487 -6.473 45 HG3 GLU 10 2HG GLU 10 -8.144 -9.504 -6.178 46 H LYS 11 H LYS 11 -7.169 -4.447 -5.336 47 HA LYS 11 HA LYS 11 -9.632 -3.189 -4.316 48 HB2 LYS 11 1HB LYS 11 -6.749 -2.466 -3.917 49 HB3 LYS 11 2HB LYS 11 -7.987 -1.221 -3.837 50 HG2 LYS 11 1HG LYS 11 -9.104 -2.951 -2.176 51 HG3 LYS 11 2HG LYS 11 -7.426 -3.466 -1.984 52 HD2 LYS 11 1HD LYS 11 -6.858 -1.043 -1.562 53 HD3 LYS 11 2HD LYS 11 -8.594 -0.735 -1.483 54 HE2 LYS 11 1HE LYS 11 -7.927 -1.037 0.748 55 HE3 LYS 11 2HE LYS 11 -8.673 -2.566 0.284 56 HZ1 LYS 11 3HZ LYS 11 -5.862 -1.958 0.824 57 HZ2 LYS 11 1HZ LYS 11 -6.206 -3.145 -0.332 58 HZ3 LYS 11 2HZ LYS 11 -6.773 -3.317 1.252 59 HA PRO 12 HA PRO 12 -10.059 -1.066 -8.134 60 HB2 PRO 12 1HB PRO 12 -11.115 1.298 -7.320 61 HB3 PRO 12 2HB PRO 12 -12.028 -0.215 -7.310 62 HG2 PRO 12 1HG PRO 12 -10.635 1.172 -5.052 63 HG3 PRO 12 2HG PRO 12 -12.228 0.394 -5.075 64 HD2 PRO 12 1HD PRO 12 -10.033 -0.811 -4.044 65 HD3 PRO 12 2HD PRO 12 -11.340 -1.719 -4.832 66 H TYR 13 H TYR 13 -8.029 0.169 -5.658 67 HA TYR 13 HA TYR 13 -6.594 1.781 -7.650 68 HB2 TYR 13 1HB TYR 13 -7.106 2.647 -4.797 69 HB3 TYR 13 2HB TYR 13 -6.186 3.537 -6.005 70 HD1 TYR 13 HD2 TYR 13 -7.511 4.105 -8.211 71 HD2 TYR 13 HD1 TYR 13 -9.334 3.180 -4.479 72 HE1 TYR 13 HE2 TYR 13 -9.563 5.250 -8.937 73 HE2 TYR 13 HE1 TYR 13 -11.392 4.321 -5.195 74 HH TYR 13 HH TYR 13 -11.790 6.365 -7.114 75 H ILE 14 H ILE 14 -4.597 1.042 -7.847 76 HA ILE 14 HA ILE 14 -3.160 0.147 -5.451 77 HB ILE 14 HB ILE 14 -3.205 -1.370 -8.063 78 HG12 ILE 14 1HG1 ILE 14 -4.185 -2.226 -5.333 79 HG13 ILE 14 2HG1 ILE 14 -5.234 -1.626 -6.613 80 HG21 ILE 14 1HG2 ILE 14 -1.769 -2.029 -5.496 81 HG22 ILE 14 2HG2 ILE 14 -1.728 -2.950 -6.998 82 HG23 ILE 14 3HG2 ILE 14 -1.006 -1.343 -6.930 83 HD11 ILE 14 3HD1 ILE 14 -3.482 -3.834 -7.404 84 HD12 ILE 14 1HD1 ILE 14 -4.674 -4.234 -6.167 85 HD13 ILE 14 2HD1 ILE 14 -5.198 -3.571 -7.715 86 H CYS 15 H CYS 15 -0.980 0.569 -5.437 87 HA CYS 15 HA CYS 15 -0.065 2.535 -7.346 88 HB2 CYS 15 1HB CYS 15 0.375 2.698 -4.882 89 HB3 CYS 15 2HB CYS 15 1.452 1.314 -5.034 90 H ALA 16 H ALA 16 0.512 1.735 -9.279 91 HA ALA 16 HA ALA 16 1.557 -0.807 -9.788 92 HB1 ALA 16 3HB ALA 16 2.174 1.573 -11.506 93 HB2 ALA 16 1HB ALA 16 1.898 -0.101 -11.989 94 HB3 ALA 16 2HB ALA 16 0.551 0.887 -11.423 95 H GLU 17 H GLU 17 3.137 2.206 -8.935 96 HA GLU 17 HA GLU 17 5.745 1.739 -9.642 97 HB2 GLU 17 1HB GLU 17 4.799 2.972 -7.048 98 HB3 GLU 17 2HB GLU 17 6.392 3.175 -7.763 99 HG2 GLU 17 1HG GLU 17 3.823 4.043 -9.063 100 HG3 GLU 17 2HG GLU 17 4.876 5.096 -8.120 101 H CYS 18 H CYS 18 4.513 1.080 -6.359 102 HA CYS 18 HA CYS 18 6.557 -1.009 -6.093 103 HB2 CYS 18 1HB CYS 18 6.044 -0.843 -3.644 104 HB3 CYS 18 2HB CYS 18 6.683 0.638 -4.350 105 H GLY 19 H GLY 19 3.114 -0.413 -5.414 106 HA2 GLY 19 1HA GLY 19 1.580 -2.182 -6.250 107 HA3 GLY 19 2HA GLY 19 2.703 -3.338 -5.547 108 H LYS 20 H LYS 20 0.910 -0.433 -4.509 109 HA LYS 20 HA LYS 20 0.174 -1.903 -2.063 110 HB2 LYS 20 1HB LYS 20 1.742 0.162 -1.908 111 HB3 LYS 20 2HB LYS 20 0.283 1.096 -2.211 112 HG2 LYS 20 1HG LYS 20 -0.723 0.363 -0.212 113 HG3 LYS 20 2HG LYS 20 0.474 -0.915 0.011 114 HD2 LYS 20 1HD LYS 20 2.153 1.106 0.039 115 HD3 LYS 20 2HD LYS 20 0.711 2.021 0.484 116 HE2 LYS 20 1HE LYS 20 1.737 1.359 2.512 117 HE3 LYS 20 2HE LYS 20 0.332 0.314 2.300 118 HZ1 LYS 20 3HZ LYS 20 3.113 -0.372 2.417 119 HZ2 LYS 20 1HZ LYS 20 2.336 -1.051 1.077 120 HZ3 LYS 20 2HZ LYS 20 1.751 -1.350 2.635 121 H ALA 21 H ALA 21 -1.935 -2.083 -1.587 122 HA ALA 21 HA ALA 21 -3.851 -0.944 -3.468 123 HB1 ALA 21 3HB ALA 21 -5.394 -2.455 -1.905 124 HB2 ALA 21 1HB ALA 21 -4.456 -3.118 -3.243 125 HB3 ALA 21 2HB ALA 21 -3.844 -3.235 -1.593 126 H PHE 22 H PHE 22 -5.410 0.511 -2.948 127 HA PHE 22 HA PHE 22 -5.562 1.416 -0.153 128 HB2 PHE 22 1HB PHE 22 -5.146 3.065 -2.631 129 HB3 PHE 22 2HB PHE 22 -5.926 3.759 -1.213 130 HD1 PHE 22 HD2 PHE 22 -2.809 2.302 -2.512 131 HD2 PHE 22 HD1 PHE 22 -4.679 4.330 0.728 132 HE1 PHE 22 HE2 PHE 22 -0.600 2.767 -1.533 133 HE2 PHE 22 HE1 PHE 22 -2.474 4.800 1.712 134 HZ PHE 22 HZ PHE 22 -0.430 4.017 0.582 135 H THR 23 H THR 23 -7.552 2.507 0.406 136 HA THR 23 HA THR 23 -9.825 1.279 -0.887 137 HB THR 23 HB THR 23 -11.126 2.507 0.919 138 HG1 THR 23 HG1 THR 23 -9.494 3.068 2.701 139 HG21 THR 23 3HG2 THR 23 -9.878 0.127 0.977 140 HG22 THR 23 1HG2 THR 23 -10.824 0.752 2.327 141 HG23 THR 23 2HG2 THR 23 -9.068 0.917 2.329 142 H ILE 24 H ILE 24 -8.692 4.589 -0.262 143 HA ILE 24 HA ILE 24 -10.670 5.568 -2.207 144 HB ILE 24 HB ILE 24 -9.162 7.060 -0.058 145 HG12 ILE 24 1HG1 ILE 24 -11.033 5.657 0.742 146 HG13 ILE 24 2HG1 ILE 24 -11.362 7.373 0.951 147 HG21 ILE 24 1HG2 ILE 24 -9.356 8.608 -1.797 148 HG22 ILE 24 2HG2 ILE 24 -10.949 8.019 -2.267 149 HG23 ILE 24 3HG2 ILE 24 -10.753 8.936 -0.773 150 HD11 ILE 24 3HD1 ILE 24 -12.604 5.417 -0.913 151 HD12 ILE 24 1HD1 ILE 24 -13.360 6.617 0.135 152 HD13 ILE 24 2HD1 ILE 24 -12.558 7.124 -1.352 153 H ARG 25 H ARG 25 -10.052 6.734 -3.978 154 HA ARG 25 HA ARG 25 -7.560 6.271 -5.122 155 HB2 ARG 25 1HB ARG 25 -9.642 6.933 -6.341 156 HB3 ARG 25 2HB ARG 25 -9.407 8.575 -5.760 157 HG2 ARG 25 1HG ARG 25 -7.117 8.457 -6.883 158 HG3 ARG 25 2HG ARG 25 -7.737 7.021 -7.702 159 HD2 ARG 25 1HD ARG 25 -9.358 9.524 -7.724 160 HD3 ARG 25 2HD ARG 25 -7.959 9.400 -8.791 161 HE ARG 25 HE ARG 25 -9.733 7.145 -8.949 162 HH11 ARG 25 1HH1 ARG 25 -9.073 10.355 -10.123 163 HH12 ARG 25 2HH1 ARG 25 -9.927 10.127 -11.613 164 HH21 ARG 25 1HH2 ARG 25 -10.861 6.832 -10.907 165 HH22 ARG 25 2HH2 ARG 25 -10.944 8.123 -12.057 166 H SER 26 H SER 26 -8.777 9.228 -3.558 167 HA SER 26 HA SER 26 -6.495 10.794 -3.880 168 HB2 SER 26 1HB SER 26 -8.858 11.413 -2.973 169 HB3 SER 26 2HB SER 26 -8.183 10.987 -1.400 170 HG SER 26 HG SER 26 -7.717 13.094 -1.591 171 H ASN 27 H ASN 27 -7.457 8.898 -1.014 172 HA ASN 27 HA ASN 27 -5.396 9.290 0.672 173 HB2 ASN 27 1HB ASN 27 -7.008 6.866 0.024 174 HB3 ASN 27 2HB ASN 27 -5.610 6.668 1.077 175 HD21 ASN 27 1HD2 ASN 27 -7.617 6.007 2.396 176 HD22 ASN 27 2HD2 ASN 27 -8.276 7.245 3.404 177 H LEU 28 H LEU 28 -5.296 7.346 -2.259 178 HA LEU 28 HA LEU 28 -2.718 6.243 -1.821 179 HB2 LEU 28 1HB LEU 28 -4.218 5.185 -3.358 180 HB3 LEU 28 2HB LEU 28 -4.339 6.653 -4.325 181 HG LEU 28 HG LEU 28 -1.721 6.231 -4.574 182 HD11 LEU 28 1HD1 LEU 28 -1.690 4.258 -3.150 183 HD12 LEU 28 2HD1 LEU 28 -1.268 3.841 -4.811 184 HD13 LEU 28 3HD1 LEU 28 -2.878 3.473 -4.192 185 HD21 LEU 28 3HD2 LEU 28 -3.880 6.112 -6.205 186 HD22 LEU 28 1HD2 LEU 28 -3.282 4.457 -6.321 187 HD23 LEU 28 2HD2 LEU 28 -2.222 5.808 -6.725 188 H ILE 29 H ILE 29 -3.804 8.864 -3.985 189 HA ILE 29 HA ILE 29 -1.572 9.751 -5.132 190 HB ILE 29 HB ILE 29 -3.523 11.543 -3.683 191 HG12 ILE 29 1HG1 ILE 29 -4.448 9.951 -5.412 192 HG13 ILE 29 2HG1 ILE 29 -4.730 11.657 -5.743 193 HG21 ILE 29 1HG2 ILE 29 -2.783 13.273 -5.284 194 HG22 ILE 29 2HG2 ILE 29 -1.503 12.762 -4.185 195 HG23 ILE 29 3HG2 ILE 29 -1.523 12.175 -5.847 196 HD11 ILE 29 3HD1 ILE 29 -2.432 10.149 -6.941 197 HD12 ILE 29 1HD1 ILE 29 -4.026 10.211 -7.691 198 HD13 ILE 29 2HD1 ILE 29 -3.111 11.697 -7.441 199 H LYS 30 H LYS 30 -2.272 10.029 -1.706 200 HA LYS 30 HA LYS 30 -0.110 11.752 -1.060 201 HB2 LYS 30 1HB LYS 30 -2.051 11.471 0.414 202 HB3 LYS 30 2HB LYS 30 -1.612 9.789 0.682 203 HG2 LYS 30 1HG LYS 30 0.381 10.424 1.840 204 HG3 LYS 30 2HG LYS 30 0.140 12.121 1.421 205 HD2 LYS 30 1HD LYS 30 -0.702 12.126 3.546 206 HD3 LYS 30 2HD LYS 30 -2.169 11.727 2.649 207 HE2 LYS 30 1HE LYS 30 -0.421 9.496 3.546 208 HE3 LYS 30 2HE LYS 30 -1.391 10.328 4.760 209 HZ1 LYS 30 3HZ LYS 30 -2.564 8.427 3.851 210 HZ2 LYS 30 1HZ LYS 30 -2.434 9.057 2.286 211 HZ3 LYS 30 2HZ LYS 30 -3.367 9.859 3.446 212 H HIS 31 H HIS 31 -0.527 8.227 -0.835 213 HA HIS 31 HA HIS 31 1.909 7.544 0.264 214 HB2 HIS 31 1HB HIS 31 0.440 5.758 0.051 215 HB3 HIS 31 2HB HIS 31 0.048 6.147 -1.621 216 HD1 HIS 31 HD1 HIS 31 2.444 4.238 0.476 217 HD2 HIS 31 HD2 HIS 31 1.898 5.180 -3.534 218 HE1 HIS 31 HE1 HIS 31 3.971 2.692 -0.792 219 H GLN 32 H GLN 32 1.131 8.307 -3.087 220 HA GLN 32 HA GLN 32 3.356 7.484 -4.432 221 HB2 GLN 32 1HB GLN 32 1.601 9.889 -4.728 222 HB3 GLN 32 2HB GLN 32 3.030 9.739 -5.741 223 HG2 GLN 32 1HG GLN 32 1.291 8.847 -7.014 224 HG3 GLN 32 2HG GLN 32 2.152 7.445 -6.379 225 HE21 GLN 32 1HE2 GLN 32 -0.780 8.373 -7.117 226 HE22 GLN 32 2HE2 GLN 32 -1.711 7.607 -5.880 227 H LYS 33 H LYS 33 3.202 9.838 -1.951 228 HA LYS 33 HA LYS 33 5.357 11.495 -2.541 229 HB2 LYS 33 1HB LYS 33 4.157 10.549 0.047 230 HB3 LYS 33 2HB LYS 33 5.570 11.596 0.041 231 HG2 LYS 33 1HG LYS 33 4.211 13.171 -1.415 232 HG3 LYS 33 2HG LYS 33 2.811 12.187 -0.979 233 HD2 LYS 33 1HD LYS 33 3.524 12.575 1.448 234 HD3 LYS 33 2HD LYS 33 4.569 13.846 0.807 235 HE2 LYS 33 1HE LYS 33 2.725 15.072 -0.022 236 HE3 LYS 33 2HE LYS 33 1.624 13.715 0.210 237 HZ1 LYS 33 3HZ LYS 33 1.214 14.381 2.268 238 HZ2 LYS 33 1HZ LYS 33 2.118 15.780 1.971 239 HZ3 LYS 33 2HZ LYS 33 2.859 14.424 2.659 240 H ILE 34 H ILE 34 5.290 8.278 -1.110 241 HA ILE 34 HA ILE 34 7.974 8.148 -0.291 242 HB ILE 34 HB ILE 34 7.714 5.770 -0.181 243 HG12 ILE 34 1HG1 ILE 34 5.041 5.798 -1.499 244 HG13 ILE 34 2HG1 ILE 34 6.464 5.863 -2.534 245 HG21 ILE 34 1HG2 ILE 34 5.096 7.115 0.471 246 HG22 ILE 34 2HG2 ILE 34 5.655 5.576 1.124 247 HG23 ILE 34 3HG2 ILE 34 6.523 7.063 1.506 248 HD11 ILE 34 3HD1 ILE 34 5.713 3.587 -2.264 249 HD12 ILE 34 1HD1 ILE 34 7.288 3.801 -1.501 250 HD13 ILE 34 2HD1 ILE 34 5.831 3.730 -0.510 251 H HIS 35 H HIS 35 6.604 8.193 -3.402 252 HA HIS 35 HA HIS 35 8.969 6.951 -4.615 253 HB2 HIS 35 1HB HIS 35 6.299 7.732 -5.801 254 HB3 HIS 35 2HB HIS 35 7.637 7.062 -6.730 255 HD1 HIS 35 HD1 HIS 35 8.287 4.554 -6.197 256 HD2 HIS 35 HD2 HIS 35 4.765 5.891 -4.445 257 HE1 HIS 35 HE1 HIS 35 7.076 2.479 -5.452 258 H THR 36 H THR 36 7.756 9.965 -3.789 259 HA THR 36 HA THR 36 9.435 11.291 -5.818 260 HB THR 36 HB THR 36 8.035 13.323 -5.431 261 HG1 THR 36 HG1 THR 36 5.905 12.769 -4.446 262 HG21 THR 36 3HG2 THR 36 6.929 10.791 -6.561 263 HG22 THR 36 1HG2 THR 36 7.419 12.269 -7.387 264 HG23 THR 36 2HG2 THR 36 5.901 12.222 -6.491 265 H LYS 37 H LYS 37 11.340 11.655 -4.845 266 HA LYS 37 HA LYS 37 11.295 12.981 -2.213 267 HB2 LYS 37 1HB LYS 37 13.387 11.924 -1.665 268 HB3 LYS 37 2HB LYS 37 12.249 10.679 -2.164 269 HG2 LYS 37 1HG LYS 37 13.347 10.995 -4.502 270 HG3 LYS 37 2HG LYS 37 14.668 11.707 -3.572 271 HD2 LYS 37 1HD LYS 37 13.547 9.076 -2.723 272 HD3 LYS 37 2HD LYS 37 14.636 9.137 -4.111 273 HE2 LYS 37 1HE LYS 37 16.361 10.151 -2.774 274 HE3 LYS 37 2HE LYS 37 15.268 10.290 -1.398 275 HZ1 LYS 37 3HZ LYS 37 15.967 8.304 -0.757 276 HZ2 LYS 37 1HZ LYS 37 16.886 8.104 -2.163 277 HZ3 LYS 37 2HZ LYS 37 15.265 7.623 -2.138 278 H GLN 38 H GLN 38 13.678 14.000 -1.913 279 HA GLN 38 HA GLN 38 13.945 15.861 -4.161 280 HB2 GLN 38 1HB GLN 38 15.279 17.210 -2.474 281 HB3 GLN 38 2HB GLN 38 13.563 17.025 -2.139 282 HG2 GLN 38 1HG GLN 38 13.990 15.382 -0.468 283 HG3 GLN 38 2HG GLN 38 15.695 15.301 -0.908 284 HE21 GLN 38 1HE2 GLN 38 16.151 15.742 1.310 285 HE22 GLN 38 2HE2 GLN 38 16.081 17.360 1.910 286 H LYS 39 H LYS 39 15.200 14.556 -5.527 287 HA LYS 39 HA LYS 39 17.986 14.220 -4.633 288 HB2 LYS 39 1HB LYS 39 16.893 12.031 -4.775 289 HB3 LYS 39 2HB LYS 39 16.417 12.365 -6.434 290 HG2 LYS 39 1HG LYS 39 18.742 12.409 -7.121 291 HG3 LYS 39 2HG LYS 39 19.256 12.149 -5.452 292 HD2 LYS 39 1HD LYS 39 17.694 10.041 -5.644 293 HD3 LYS 39 2HD LYS 39 17.987 10.252 -7.372 294 HE2 LYS 39 1HE LYS 39 19.684 8.805 -6.727 295 HE3 LYS 39 2HE LYS 39 20.476 10.379 -6.703 296 HZ1 LYS 39 3HZ LYS 39 20.398 8.578 -4.651 297 HZ2 LYS 39 1HZ LYS 39 19.266 9.749 -4.195 298 HZ3 LYS 39 2HZ LYS 39 20.859 10.201 -4.536 299 HA PRO 40 HA PRO 40 18.887 16.807 -8.105 300 HB2 PRO 40 1HB PRO 40 21.572 16.407 -8.153 301 HB3 PRO 40 2HB PRO 40 20.774 17.425 -6.948 302 HG2 PRO 40 1HG PRO 40 21.716 14.593 -6.712 303 HG3 PRO 40 2HG PRO 40 21.869 15.924 -5.550 304 HD2 PRO 40 1HD PRO 40 19.976 14.002 -5.322 305 HD3 PRO 40 2HD PRO 40 19.709 15.673 -4.786 306 H SER 41 H SER 41 20.251 16.628 -10.168 307 HA SER 41 HA SER 41 19.392 14.321 -11.596 308 HB2 SER 41 1HB SER 41 20.527 15.335 -13.518 309 HB3 SER 41 2HB SER 41 19.573 16.542 -12.655 310 HG SER 41 HG SER 41 22.360 16.223 -12.778 311 H GLY 42 H GLY 42 20.346 12.405 -11.685 312 HA2 GLY 42 1HA GLY 42 23.254 12.229 -11.774 313 HA3 GLY 42 2HA GLY 42 22.473 11.447 -10.408 314 HA PRO 43 HA PRO 43 21.252 9.152 -14.530 315 HB2 PRO 43 1HB PRO 43 23.112 9.386 -16.493 316 HB3 PRO 43 2HB PRO 43 21.725 10.472 -16.350 317 HG2 PRO 43 1HG PRO 43 24.557 10.891 -15.474 318 HG3 PRO 43 2HG PRO 43 23.460 12.020 -16.290 319 HD2 PRO 43 1HD PRO 43 23.933 12.117 -13.626 320 HD3 PRO 43 2HD PRO 43 22.369 12.570 -14.335 321 H SER 44 H SER 44 24.471 9.523 -13.252 322 HA SER 44 HA SER 44 26.085 8.035 -12.655 323 HB2 SER 44 1HB SER 44 24.085 7.014 -11.485 324 HB3 SER 44 2HB SER 44 23.942 5.913 -12.855 325 HG SER 44 HG SER 44 26.466 6.089 -11.759 326 H SER 45 H SER 45 26.062 8.675 -15.318 327 HA SER 45 HA SER 45 26.857 8.033 -17.351 328 HB2 SER 45 1HB SER 45 27.954 5.803 -15.633 329 HB3 SER 45 2HB SER 45 28.348 5.977 -17.343 330 HG SER 45 HG SER 45 29.917 7.099 -16.370 331 H GLY 46 H GLY 46 24.200 7.451 -16.957 332 HA2 GLY 46 1HA GLY 46 22.478 6.005 -17.537 333 HA3 GLY 46 2HA GLY 46 23.427 5.907 -19.014 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -0.986 -15.781 5.898 2 HA2 GLY 1 1HA GLY 1 -0.194 -18.177 7.319 3 HA3 GLY 1 2HA GLY 1 -1.850 -17.670 7.614 4 H SER 2 H SER 2 -0.917 -20.110 6.355 5 HA SER 2 HA SER 2 -1.425 -19.853 3.532 6 HB2 SER 2 1HB SER 2 -1.428 -22.445 3.725 7 HB3 SER 2 2HB SER 2 0.081 -21.579 4.012 8 HG SER 2 HG SER 2 -1.607 -22.060 6.188 9 H SER 3 H SER 3 -3.333 -20.135 6.307 10 HA SER 3 HA SER 3 -5.675 -20.788 4.656 11 HB2 SER 3 1HB SER 3 -6.615 -22.123 6.493 12 HB3 SER 3 2HB SER 3 -5.075 -22.793 5.953 13 HG SER 3 HG SER 3 -5.678 -21.393 8.318 14 H GLY 4 H GLY 4 -6.169 -18.573 4.561 15 HA2 GLY 4 1HA GLY 4 -6.555 -17.094 7.028 16 HA3 GLY 4 2HA GLY 4 -6.803 -16.489 5.397 17 H SER 5 H SER 5 -8.819 -15.686 5.464 18 HA SER 5 HA SER 5 -10.958 -17.452 6.459 19 HB2 SER 5 1HB SER 5 -10.990 -15.481 7.774 20 HB3 SER 5 2HB SER 5 -10.736 -14.445 6.370 21 HG SER 5 HG SER 5 -12.982 -14.775 7.357 22 H SER 6 H SER 6 -10.346 -14.920 4.025 23 HA SER 6 HA SER 6 -12.271 -16.287 2.260 24 HB2 SER 6 1HB SER 6 -11.492 -13.362 2.344 25 HB3 SER 6 2HB SER 6 -12.565 -14.082 1.145 26 HG SER 6 HG SER 6 -13.541 -14.832 3.425 27 H GLY 7 H GLY 7 -9.436 -14.123 2.025 28 HA2 GLY 7 1HA GLY 7 -7.645 -15.689 0.756 29 HA3 GLY 7 2HA GLY 7 -8.735 -15.246 -0.549 30 H THR 8 H THR 8 -7.024 -14.155 -1.605 31 HA THR 8 HA THR 8 -5.455 -12.133 -0.469 32 HB THR 8 HB THR 8 -6.339 -12.361 -3.353 33 HG1 THR 8 HG1 THR 8 -4.472 -13.733 -1.807 34 HG21 THR 8 3HG2 THR 8 -5.293 -10.374 -3.498 35 HG22 THR 8 1HG2 THR 8 -3.814 -11.322 -3.350 36 HG23 THR 8 2HG2 THR 8 -4.518 -10.558 -1.925 37 H GLY 9 H GLY 9 -8.527 -11.933 -2.252 38 HA2 GLY 9 1HA GLY 9 -10.239 -10.381 -1.696 39 HA3 GLY 9 2HA GLY 9 -9.027 -9.356 -0.942 40 H GLU 10 H GLU 10 -10.046 -7.622 -2.154 41 HA GLU 10 HA GLU 10 -8.787 -7.321 -4.765 42 HB2 GLU 10 1HB GLU 10 -11.065 -8.234 -5.187 43 HB3 GLU 10 2HB GLU 10 -11.743 -6.836 -4.365 44 HG2 GLU 10 1HG GLU 10 -11.246 -5.409 -6.078 45 HG3 GLU 10 2HG GLU 10 -9.887 -6.380 -6.640 46 H LYS 11 H LYS 11 -8.986 -5.052 -5.575 47 HA LYS 11 HA LYS 11 -9.617 -3.027 -3.605 48 HB2 LYS 11 1HB LYS 11 -7.174 -3.930 -3.289 49 HB3 LYS 11 2HB LYS 11 -6.832 -2.942 -4.704 50 HG2 LYS 11 1HG LYS 11 -6.324 -1.663 -2.760 51 HG3 LYS 11 2HG LYS 11 -7.783 -0.989 -3.491 52 HD2 LYS 11 1HD LYS 11 -9.160 -2.168 -1.863 53 HD3 LYS 11 2HD LYS 11 -7.718 -2.897 -1.152 54 HE2 LYS 11 1HE LYS 11 -6.918 -0.495 -0.779 55 HE3 LYS 11 2HE LYS 11 -8.581 -0.020 -1.118 56 HZ1 LYS 11 3HZ LYS 11 -7.593 -0.765 1.307 57 HZ2 LYS 11 1HZ LYS 11 -8.415 -2.149 0.786 58 HZ3 LYS 11 2HZ LYS 11 -9.230 -0.671 0.892 59 HA PRO 12 HA PRO 12 -10.696 -0.983 -7.373 60 HB2 PRO 12 1HB PRO 12 -11.182 1.471 -6.320 61 HB3 PRO 12 2HB PRO 12 -12.293 0.108 -6.134 62 HG2 PRO 12 1HG PRO 12 -10.261 1.172 -4.210 63 HG3 PRO 12 2HG PRO 12 -11.923 0.638 -3.900 64 HD2 PRO 12 1HD PRO 12 -9.771 -0.921 -3.381 65 HD3 PRO 12 2HD PRO 12 -11.337 -1.591 -3.882 66 H TYR 13 H TYR 13 -8.146 0.086 -5.249 67 HA TYR 13 HA TYR 13 -6.823 1.354 -7.545 68 HB2 TYR 13 1HB TYR 13 -7.048 2.482 -4.751 69 HB3 TYR 13 2HB TYR 13 -5.912 3.080 -5.955 70 HD1 TYR 13 HD2 TYR 13 -6.858 4.001 -8.134 71 HD2 TYR 13 HD1 TYR 13 -9.262 3.255 -4.703 72 HE1 TYR 13 HE2 TYR 13 -8.591 5.500 -9.029 73 HE2 TYR 13 HE1 TYR 13 -11.001 4.752 -5.589 74 HH TYR 13 HH TYR 13 -11.685 5.932 -7.366 75 H ILE 14 H ILE 14 -4.694 0.902 -7.762 76 HA ILE 14 HA ILE 14 -3.241 -0.307 -5.538 77 HB ILE 14 HB ILE 14 -3.484 -1.649 -8.234 78 HG12 ILE 14 1HG1 ILE 14 -4.271 -3.525 -6.504 79 HG13 ILE 14 2HG1 ILE 14 -4.745 -2.107 -5.574 80 HG21 ILE 14 1HG2 ILE 14 -1.670 -2.853 -7.763 81 HG22 ILE 14 2HG2 ILE 14 -1.334 -1.672 -6.498 82 HG23 ILE 14 3HG2 ILE 14 -2.206 -3.155 -6.110 83 HD11 ILE 14 3HD1 ILE 14 -6.477 -1.664 -6.911 84 HD12 ILE 14 1HD1 ILE 14 -5.574 -2.045 -8.378 85 HD13 ILE 14 2HD1 ILE 14 -6.291 -3.342 -7.422 86 H CYS 15 H CYS 15 -1.398 0.766 -5.368 87 HA CYS 15 HA CYS 15 -0.385 2.592 -7.179 88 HB2 CYS 15 1HB CYS 15 0.260 2.364 -4.761 89 HB3 CYS 15 2HB CYS 15 1.274 0.999 -5.218 90 H ALA 16 H ALA 16 0.431 2.341 -9.140 91 HA ALA 16 HA ALA 16 1.388 -0.259 -10.011 92 HB1 ALA 16 3HB ALA 16 1.700 1.765 -12.008 93 HB2 ALA 16 1HB ALA 16 0.606 0.381 -11.985 94 HB3 ALA 16 2HB ALA 16 0.109 1.911 -11.262 95 H GLU 17 H GLU 17 2.994 1.067 -8.052 96 HA GLU 17 HA GLU 17 5.452 1.464 -9.623 97 HB2 GLU 17 1HB GLU 17 4.464 3.008 -7.236 98 HB3 GLU 17 2HB GLU 17 6.167 2.970 -7.667 99 HG2 GLU 17 1HG GLU 17 5.198 4.949 -8.575 100 HG3 GLU 17 2HG GLU 17 5.571 3.852 -9.903 101 H CYS 18 H CYS 18 4.110 0.558 -6.466 102 HA CYS 18 HA CYS 18 6.441 -1.204 -6.076 103 HB2 CYS 18 1HB CYS 18 5.980 -0.985 -3.627 104 HB3 CYS 18 2HB CYS 18 6.472 0.519 -4.397 105 H GLY 19 H GLY 19 2.967 -0.830 -5.422 106 HA2 GLY 19 1HA GLY 19 1.801 -2.978 -6.293 107 HA3 GLY 19 2HA GLY 19 2.769 -3.738 -5.038 108 H LYS 20 H LYS 20 2.276 -0.988 -3.594 109 HA LYS 20 HA LYS 20 0.523 -1.807 -1.676 110 HB2 LYS 20 1HB LYS 20 1.935 0.390 -1.918 111 HB3 LYS 20 2HB LYS 20 0.435 1.058 -2.548 112 HG2 LYS 20 1HG LYS 20 -0.645 0.899 -0.530 113 HG3 LYS 20 2HG LYS 20 0.392 -0.409 0.045 114 HD2 LYS 20 1HD LYS 20 1.461 2.357 -0.430 115 HD3 LYS 20 2HD LYS 20 0.694 1.911 1.095 116 HE2 LYS 20 1HE LYS 20 3.078 0.546 -0.150 117 HE3 LYS 20 2HE LYS 20 3.129 1.676 1.202 118 HZ1 LYS 20 3HZ LYS 20 3.170 -0.396 2.208 119 HZ2 LYS 20 1HZ LYS 20 2.050 -1.069 1.134 120 HZ3 LYS 20 2HZ LYS 20 1.536 0.030 2.311 121 H ALA 21 H ALA 21 -1.700 -1.155 -1.188 122 HA ALA 21 HA ALA 21 -3.366 -0.677 -3.555 123 HB1 ALA 21 3HB ALA 21 -4.379 -2.659 -1.598 124 HB2 ALA 21 1HB ALA 21 -4.630 -2.552 -3.341 125 HB3 ALA 21 2HB ALA 21 -3.110 -3.183 -2.705 126 H PHE 22 H PHE 22 -4.830 0.861 -3.212 127 HA PHE 22 HA PHE 22 -5.625 1.444 -0.436 128 HB2 PHE 22 1HB PHE 22 -5.102 3.409 -2.675 129 HB3 PHE 22 2HB PHE 22 -5.791 3.837 -1.113 130 HD1 PHE 22 HD2 PHE 22 -2.766 2.751 -2.871 131 HD2 PHE 22 HD1 PHE 22 -4.430 3.954 0.858 132 HE1 PHE 22 HE2 PHE 22 -0.500 3.043 -1.958 133 HE2 PHE 22 HE1 PHE 22 -2.167 4.249 1.777 134 HZ PHE 22 HZ PHE 22 -0.198 3.792 0.369 135 H THR 23 H THR 23 -7.722 2.571 -0.250 136 HA THR 23 HA THR 23 -9.629 1.429 -2.155 137 HB THR 23 HB THR 23 -10.337 0.813 -0.040 138 HG1 THR 23 HG1 THR 23 -11.840 2.396 -1.298 139 HG21 THR 23 3HG2 THR 23 -9.574 3.573 0.918 140 HG22 THR 23 1HG2 THR 23 -8.732 2.064 1.267 141 HG23 THR 23 2HG2 THR 23 -10.348 2.342 1.915 142 H ILE 24 H ILE 24 -8.867 4.507 -0.557 143 HA ILE 24 HA ILE 24 -10.737 5.925 -2.276 144 HB ILE 24 HB ILE 24 -8.862 7.108 -0.230 145 HG12 ILE 24 1HG1 ILE 24 -11.701 6.117 0.099 146 HG13 ILE 24 2HG1 ILE 24 -10.265 5.460 0.876 147 HG21 ILE 24 1HG2 ILE 24 -10.218 9.035 -0.319 148 HG22 ILE 24 2HG2 ILE 24 -9.930 8.575 -1.996 149 HG23 ILE 24 3HG2 ILE 24 -11.475 8.203 -1.233 150 HD11 ILE 24 3HD1 ILE 24 -10.381 8.213 1.497 151 HD12 ILE 24 1HD1 ILE 24 -11.985 7.532 1.766 152 HD13 ILE 24 2HD1 ILE 24 -10.583 6.832 2.575 153 H ARG 25 H ARG 25 -10.151 7.558 -3.727 154 HA ARG 25 HA ARG 25 -7.856 7.073 -5.271 155 HB2 ARG 25 1HB ARG 25 -9.931 8.129 -6.126 156 HB3 ARG 25 2HB ARG 25 -9.548 9.577 -5.203 157 HG2 ARG 25 1HG ARG 25 -7.790 10.155 -6.583 158 HG3 ARG 25 2HG ARG 25 -7.584 8.507 -7.180 159 HD2 ARG 25 1HD ARG 25 -8.547 9.762 -8.947 160 HD3 ARG 25 2HD ARG 25 -9.826 8.741 -8.290 161 HE ARG 25 HE ARG 25 -10.966 10.630 -7.713 162 HH11 ARG 25 1HH1 ARG 25 -7.617 11.451 -8.198 163 HH12 ARG 25 2HH1 ARG 25 -7.874 13.155 -8.017 164 HH21 ARG 25 1HH2 ARG 25 -11.316 12.871 -7.473 165 HH22 ARG 25 2HH2 ARG 25 -9.978 13.962 -7.604 166 H SER 26 H SER 26 -8.569 9.584 -2.873 167 HA SER 26 HA SER 26 -6.134 10.991 -3.184 168 HB2 SER 26 1HB SER 26 -6.715 12.013 -0.985 169 HB3 SER 26 2HB SER 26 -8.045 12.063 -2.142 170 HG SER 26 HG SER 26 -8.481 9.867 -0.962 171 H ASN 27 H ASN 27 -7.153 8.389 -1.022 172 HA ASN 27 HA ASN 27 -5.069 8.281 0.752 173 HB2 ASN 27 1HB ASN 27 -6.863 6.231 -0.450 174 HB3 ASN 27 2HB ASN 27 -5.453 5.654 0.434 175 HD21 ASN 27 1HD2 ASN 27 -5.737 5.322 2.510 176 HD22 ASN 27 2HD2 ASN 27 -6.933 6.069 3.508 177 H LEU 28 H LEU 28 -5.126 7.164 -2.585 178 HA LEU 28 HA LEU 28 -2.521 5.956 -2.445 179 HB2 LEU 28 1HB LEU 28 -4.029 5.020 -4.005 180 HB3 LEU 28 2HB LEU 28 -4.399 6.596 -4.702 181 HG LEU 28 HG LEU 28 -2.051 6.666 -5.573 182 HD11 LEU 28 1HD1 LEU 28 -2.014 4.017 -4.237 183 HD12 LEU 28 2HD1 LEU 28 -0.735 5.217 -4.414 184 HD13 LEU 28 3HD1 LEU 28 -1.164 4.180 -5.774 185 HD21 LEU 28 3HD2 LEU 28 -4.293 5.119 -6.484 186 HD22 LEU 28 1HD2 LEU 28 -2.782 4.372 -7.006 187 HD23 LEU 28 2HD2 LEU 28 -3.123 6.053 -7.418 188 H ILE 29 H ILE 29 -3.869 8.985 -3.670 189 HA ILE 29 HA ILE 29 -1.707 10.036 -5.004 190 HB ILE 29 HB ILE 29 -3.643 11.515 -3.219 191 HG12 ILE 29 1HG1 ILE 29 -4.606 10.176 -5.120 192 HG13 ILE 29 2HG1 ILE 29 -4.931 11.904 -5.205 193 HG21 ILE 29 1HG2 ILE 29 -2.967 13.529 -4.216 194 HG22 ILE 29 2HG2 ILE 29 -1.466 12.695 -3.816 195 HG23 ILE 29 3HG2 ILE 29 -2.057 12.697 -5.477 196 HD11 ILE 29 3HD1 ILE 29 -4.198 10.609 -7.327 197 HD12 ILE 29 1HD1 ILE 29 -3.535 12.210 -7.003 198 HD13 ILE 29 2HD1 ILE 29 -2.580 10.771 -6.644 199 H LYS 30 H LYS 30 -2.373 10.189 -1.519 200 HA LYS 30 HA LYS 30 -0.154 11.736 -0.791 201 HB2 LYS 30 1HB LYS 30 -1.890 9.774 0.670 202 HB3 LYS 30 2HB LYS 30 -0.470 10.449 1.459 203 HG2 LYS 30 1HG LYS 30 -2.052 11.934 2.145 204 HG3 LYS 30 2HG LYS 30 -1.519 12.726 0.660 205 HD2 LYS 30 1HD LYS 30 -3.395 11.519 -0.517 206 HD3 LYS 30 2HD LYS 30 -3.982 11.042 1.078 207 HE2 LYS 30 1HE LYS 30 -3.471 13.911 0.338 208 HE3 LYS 30 2HE LYS 30 -5.018 13.121 0.034 209 HZ1 LYS 30 3HZ LYS 30 -5.428 13.958 2.083 210 HZ2 LYS 30 1HZ LYS 30 -3.807 13.927 2.564 211 HZ3 LYS 30 2HZ LYS 30 -4.717 12.502 2.570 212 H HIS 31 H HIS 31 -0.547 8.217 -1.004 213 HA HIS 31 HA HIS 31 1.866 7.376 0.012 214 HB2 HIS 31 1HB HIS 31 0.191 5.769 -0.610 215 HB3 HIS 31 2HB HIS 31 0.270 6.261 -2.299 216 HD1 HIS 31 HD1 HIS 31 2.376 4.517 0.319 217 HD2 HIS 31 HD2 HIS 31 2.093 4.896 -3.809 218 HE1 HIS 31 HE1 HIS 31 4.013 2.856 -0.622 219 H GLN 32 H GLN 32 1.163 8.398 -3.316 220 HA GLN 32 HA GLN 32 3.488 7.889 -4.606 221 HB2 GLN 32 1HB GLN 32 1.782 10.373 -4.746 222 HB3 GLN 32 2HB GLN 32 3.099 10.051 -5.866 223 HG2 GLN 32 1HG GLN 32 1.972 7.955 -6.527 224 HG3 GLN 32 2HG GLN 32 0.623 8.387 -5.477 225 HE21 GLN 32 1HE2 GLN 32 0.498 7.934 -8.280 226 HE22 GLN 32 2HE2 GLN 32 -0.012 9.408 -9.023 227 H LYS 33 H LYS 33 3.042 10.088 -1.987 228 HA LYS 33 HA LYS 33 5.129 11.871 -2.299 229 HB2 LYS 33 1HB LYS 33 3.945 10.611 0.168 230 HB3 LYS 33 2HB LYS 33 5.213 11.826 0.262 231 HG2 LYS 33 1HG LYS 33 2.652 12.313 -1.222 232 HG3 LYS 33 2HG LYS 33 2.813 12.619 0.509 233 HD2 LYS 33 1HD LYS 33 4.838 14.039 -0.090 234 HD3 LYS 33 2HD LYS 33 4.292 13.923 -1.764 235 HE2 LYS 33 1HE LYS 33 2.040 14.770 -0.891 236 HE3 LYS 33 2HE LYS 33 2.915 15.207 0.576 237 HZ1 LYS 33 3HZ LYS 33 4.382 16.591 -0.759 238 HZ2 LYS 33 1HZ LYS 33 2.770 17.070 -0.949 239 HZ3 LYS 33 2HZ LYS 33 3.535 16.174 -2.163 240 H ILE 34 H ILE 34 5.235 8.726 -0.624 241 HA ILE 34 HA ILE 34 7.981 8.758 -0.063 242 HB ILE 34 HB ILE 34 7.812 6.387 0.341 243 HG12 ILE 34 1HG1 ILE 34 4.992 6.279 -0.635 244 HG13 ILE 34 2HG1 ILE 34 6.290 6.171 -1.820 245 HG21 ILE 34 1HG2 ILE 34 6.912 7.564 2.131 246 HG22 ILE 34 2HG2 ILE 34 5.493 8.067 1.213 247 HG23 ILE 34 3HG2 ILE 34 5.650 6.394 1.746 248 HD11 ILE 34 3HD1 ILE 34 6.226 3.987 -1.407 249 HD12 ILE 34 1HD1 ILE 34 7.090 4.381 0.080 250 HD13 ILE 34 2HD1 ILE 34 5.335 4.204 0.099 251 H HIS 35 H HIS 35 6.320 8.301 -3.008 252 HA HIS 35 HA HIS 35 8.529 6.879 -4.271 253 HB2 HIS 35 1HB HIS 35 5.760 7.653 -5.134 254 HB3 HIS 35 2HB HIS 35 6.964 7.189 -6.332 255 HD1 HIS 35 HD1 HIS 35 8.244 4.768 -5.363 256 HD2 HIS 35 HD2 HIS 35 4.235 5.512 -4.562 257 HE1 HIS 35 HE1 HIS 35 7.231 2.522 -4.858 258 H THR 36 H THR 36 7.076 10.061 -4.157 259 HA THR 36 HA THR 36 8.638 11.100 -6.342 260 HB THR 36 HB THR 36 7.734 13.307 -5.646 261 HG1 THR 36 HG1 THR 36 7.420 13.165 -3.483 262 HG21 THR 36 3HG2 THR 36 5.328 12.749 -6.064 263 HG22 THR 36 1HG2 THR 36 5.761 11.044 -5.948 264 HG23 THR 36 2HG2 THR 36 6.450 12.043 -7.228 265 H LYS 37 H LYS 37 8.886 10.958 -2.858 266 HA LYS 37 HA LYS 37 11.487 12.332 -3.039 267 HB2 LYS 37 1HB LYS 37 11.144 13.230 -0.814 268 HB3 LYS 37 2HB LYS 37 9.801 13.697 -1.850 269 HG2 LYS 37 1HG LYS 37 8.311 12.298 -0.774 270 HG3 LYS 37 2HG LYS 37 9.588 11.263 -0.132 271 HD2 LYS 37 1HD LYS 37 8.919 12.449 1.742 272 HD3 LYS 37 2HD LYS 37 10.302 13.388 1.176 273 HE2 LYS 37 1HE LYS 37 7.599 14.097 0.157 274 HE3 LYS 37 2HE LYS 37 8.006 14.535 1.815 275 HZ1 LYS 37 3HZ LYS 37 8.504 16.251 0.073 276 HZ2 LYS 37 1HZ LYS 37 9.728 15.229 -0.493 277 HZ3 LYS 37 2HZ LYS 37 9.802 15.846 1.080 278 H GLN 38 H GLN 38 13.190 11.482 -1.856 279 HA GLN 38 HA GLN 38 12.900 8.681 -1.153 280 HB2 GLN 38 1HB GLN 38 15.384 8.767 -0.901 281 HB3 GLN 38 2HB GLN 38 14.809 9.237 -2.495 282 HG2 GLN 38 1HG GLN 38 15.114 11.574 -1.953 283 HG3 GLN 38 2HG GLN 38 15.601 11.151 -0.313 284 HE21 GLN 38 1HE2 GLN 38 17.317 12.663 -1.565 285 HE22 GLN 38 2HE2 GLN 38 18.689 11.779 -2.131 286 H LYS 39 H LYS 39 13.852 11.717 0.402 287 HA LYS 39 HA LYS 39 12.812 10.976 2.913 288 HB2 LYS 39 1HB LYS 39 15.066 9.618 2.587 289 HB3 LYS 39 2HB LYS 39 15.786 11.141 3.092 290 HG2 LYS 39 1HG LYS 39 14.811 11.045 5.202 291 HG3 LYS 39 2HG LYS 39 13.601 9.866 4.692 292 HD2 LYS 39 1HD LYS 39 15.327 8.164 4.472 293 HD3 LYS 39 2HD LYS 39 16.565 9.341 4.917 294 HE2 LYS 39 1HE LYS 39 16.076 8.043 6.855 295 HE3 LYS 39 2HE LYS 39 15.373 9.642 7.096 296 HZ1 LYS 39 3HZ LYS 39 14.075 7.253 7.347 297 HZ2 LYS 39 1HZ LYS 39 13.541 7.839 5.852 298 HZ3 LYS 39 2HZ LYS 39 13.347 8.777 7.246 299 HA PRO 40 HA PRO 40 13.053 15.364 3.236 300 HB2 PRO 40 1HB PRO 40 12.464 15.611 5.874 301 HB3 PRO 40 2HB PRO 40 11.252 15.203 4.654 302 HG2 PRO 40 1HG PRO 40 12.727 13.401 6.534 303 HG3 PRO 40 2HG PRO 40 11.012 13.387 6.086 304 HD2 PRO 40 1HD PRO 40 12.813 11.676 5.008 305 HD3 PRO 40 2HD PRO 40 11.409 12.279 4.104 306 H SER 41 H SER 41 15.414 15.273 2.846 307 HA SER 41 HA SER 41 17.599 15.653 3.394 308 HB2 SER 41 1HB SER 41 16.075 17.377 5.338 309 HB3 SER 41 2HB SER 41 17.838 17.384 5.294 310 HG SER 41 HG SER 41 17.754 18.077 3.167 311 H GLY 42 H GLY 42 16.734 13.224 4.384 312 HA2 GLY 42 1HA GLY 42 17.400 12.965 7.172 313 HA3 GLY 42 2HA GLY 42 17.068 11.653 6.050 314 HA PRO 43 HA PRO 43 21.718 12.240 6.999 315 HB2 PRO 43 1HB PRO 43 22.030 10.298 8.870 316 HB3 PRO 43 2HB PRO 43 21.656 11.976 9.280 317 HG2 PRO 43 1HG PRO 43 19.821 9.619 9.090 318 HG3 PRO 43 2HG PRO 43 19.875 10.899 10.316 319 HD2 PRO 43 1HD PRO 43 18.071 10.892 8.296 320 HD3 PRO 43 2HD PRO 43 18.721 12.391 8.991 321 H SER 44 H SER 44 19.909 9.170 7.207 322 HA SER 44 HA SER 44 20.456 7.086 6.373 323 HB2 SER 44 1HB SER 44 19.235 8.474 4.564 324 HB3 SER 44 2HB SER 44 20.809 8.567 3.775 325 HG SER 44 HG SER 44 20.841 6.321 3.657 326 H SER 45 H SER 45 22.723 8.130 7.537 327 HA SER 45 HA SER 45 24.914 7.834 5.644 328 HB2 SER 45 1HB SER 45 24.858 9.589 7.497 329 HB3 SER 45 2HB SER 45 25.153 8.264 8.623 330 HG SER 45 HG SER 45 27.170 8.357 8.084 331 H GLY 46 H GLY 46 23.998 6.376 8.774 332 HA2 GLY 46 1HA GLY 46 23.986 3.771 8.332 333 HA3 GLY 46 2HA GLY 46 25.709 4.082 8.182
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