NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504753 | 2emz | 10228 | 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 2.651 -4.960 3.094 2 HA2 GLY 1 1HA GLY 1 1.281 -6.282 0.935 3 HA3 GLY 1 2HA GLY 1 3.014 -6.286 1.231 4 H SER 2 H SER 2 1.213 -8.487 0.484 5 HA SER 2 HA SER 2 1.243 -10.178 2.867 6 HB2 SER 2 1HB SER 2 0.117 -10.655 0.098 7 HB3 SER 2 2HB SER 2 0.006 -11.797 1.436 8 HG SER 2 HG SER 2 -1.779 -10.738 1.821 9 H SER 3 H SER 3 2.338 -10.369 -0.521 10 HA SER 3 HA SER 3 4.892 -11.373 0.145 11 HB2 SER 3 1HB SER 3 4.635 -13.681 -0.734 12 HB3 SER 3 2HB SER 3 3.692 -13.412 0.733 13 HG SER 3 HG SER 3 1.917 -12.913 -0.823 14 H GLY 4 H GLY 4 6.121 -10.637 -1.448 15 HA2 GLY 4 1HA GLY 4 4.974 -10.564 -4.172 16 HA3 GLY 4 2HA GLY 4 6.046 -9.321 -3.544 17 H SER 5 H SER 5 7.549 -9.588 -5.199 18 HA SER 5 HA SER 5 8.784 -12.196 -5.560 19 HB2 SER 5 1HB SER 5 8.432 -11.027 -7.599 20 HB3 SER 5 2HB SER 5 9.115 -9.537 -6.949 21 HG SER 5 HG SER 5 10.427 -11.099 -8.382 22 H SER 6 H SER 6 9.945 -8.894 -4.868 23 HA SER 6 HA SER 6 12.555 -9.542 -4.199 24 HB2 SER 6 1HB SER 6 10.739 -7.299 -3.346 25 HB3 SER 6 2HB SER 6 12.380 -7.424 -2.712 26 HG SER 6 HG SER 6 11.502 -6.860 -5.301 27 H GLY 7 H GLY 7 13.590 -10.246 -2.394 28 HA2 GLY 7 1HA GLY 7 11.961 -10.740 0.011 29 HA3 GLY 7 2HA GLY 7 12.922 -12.037 -0.682 30 H SER 8 H SER 8 15.224 -10.596 -1.363 31 HA SER 8 HA SER 8 16.206 -9.794 1.298 32 HB2 SER 8 1HB SER 8 17.634 -11.318 -0.892 33 HB3 SER 8 2HB SER 8 18.434 -10.676 0.543 34 HG SER 8 HG SER 8 17.697 -12.305 1.637 35 H GLY 9 H GLY 9 15.088 -7.936 -0.467 36 HA2 GLY 9 1HA GLY 9 17.492 -6.425 -1.289 37 HA3 GLY 9 2HA GLY 9 16.003 -6.406 -2.223 38 H GLU 10 H GLU 10 17.721 -5.065 0.424 39 HA GLU 10 HA GLU 10 15.462 -3.748 1.622 40 HB2 GLU 10 1HB GLU 10 18.417 -3.736 2.049 41 HB3 GLU 10 2HB GLU 10 17.473 -2.399 2.691 42 HG2 GLU 10 1HG GLU 10 16.011 -4.173 3.785 43 HG3 GLU 10 2HG GLU 10 17.298 -5.309 3.387 44 H ARG 11 H ARG 11 14.627 -1.818 1.131 45 HA ARG 11 HA ARG 11 15.896 -0.288 -1.023 46 HB2 ARG 11 1HB ARG 11 13.080 -0.423 0.028 47 HB3 ARG 11 2HB ARG 11 13.607 0.893 -1.013 48 HG2 ARG 11 1HG ARG 11 13.848 -2.007 -1.767 49 HG3 ARG 11 2HG ARG 11 12.453 -1.004 -2.169 50 HD2 ARG 11 1HD ARG 11 13.764 -0.855 -4.077 51 HD3 ARG 11 2HD ARG 11 14.194 0.606 -3.189 52 HE ARG 11 HE ARG 11 15.932 -1.562 -2.561 53 HH11 ARG 11 1HH1 ARG 11 15.257 0.875 -4.954 54 HH12 ARG 11 2HH1 ARG 11 16.887 0.937 -5.539 55 HH21 ARG 11 1HH2 ARG 11 18.080 -1.490 -3.323 56 HH22 ARG 11 2HH2 ARG 11 18.492 -0.409 -4.611 57 HA PRO 12 HA PRO 12 17.005 3.094 1.544 58 HB2 PRO 12 1HB PRO 12 16.541 5.207 -0.096 59 HB3 PRO 12 2HB PRO 12 17.887 4.086 -0.332 60 HG2 PRO 12 1HG PRO 12 15.227 4.165 -1.702 61 HG3 PRO 12 2HG PRO 12 16.836 3.895 -2.397 62 HD2 PRO 12 1HD PRO 12 15.114 1.870 -1.881 63 HD3 PRO 12 2HD PRO 12 16.875 1.679 -1.766 64 H PHE 13 H PHE 13 13.819 3.087 0.098 65 HA PHE 13 HA PHE 13 12.860 4.775 2.315 66 HB2 PHE 13 1HB PHE 13 12.004 4.721 -0.574 67 HB3 PHE 13 2HB PHE 13 10.967 5.380 0.688 68 HD1 PHE 13 HD1 PHE 13 14.528 5.644 -0.406 69 HD2 PHE 13 HD2 PHE 13 11.038 7.647 0.980 70 HE1 PHE 13 HE1 PHE 13 15.702 7.800 -0.576 71 HE2 PHE 13 HE2 PHE 13 12.205 9.806 0.811 72 HZ PHE 13 HZ PHE 13 14.539 9.885 0.031 73 H LYS 14 H LYS 14 10.620 4.366 2.968 74 HA LYS 14 HA LYS 14 9.438 1.839 2.198 75 HB2 LYS 14 1HB LYS 14 10.948 0.993 3.838 76 HB3 LYS 14 2HB LYS 14 10.580 2.304 4.951 77 HG2 LYS 14 1HG LYS 14 8.350 0.534 4.121 78 HG3 LYS 14 2HG LYS 14 9.556 -0.117 5.234 79 HD2 LYS 14 1HD LYS 14 9.163 2.122 6.518 80 HD3 LYS 14 2HD LYS 14 7.646 2.152 5.615 81 HE2 LYS 14 1HE LYS 14 7.019 1.042 7.534 82 HE3 LYS 14 2HE LYS 14 7.418 -0.302 6.466 83 HZ1 LYS 14 3HZ LYS 14 8.740 0.594 8.880 84 HZ2 LYS 14 1HZ LYS 14 9.783 0.181 7.613 85 HZ3 LYS 14 2HZ LYS 14 8.667 -0.950 8.194 86 H CYS 15 H CYS 15 7.264 1.684 2.718 87 HA CYS 15 HA CYS 15 6.020 4.200 3.498 88 HB2 CYS 15 1HB CYS 15 5.157 3.134 1.501 89 HB3 CYS 15 2HB CYS 15 4.861 1.639 2.383 90 H ASN 16 H ASN 16 5.068 4.562 5.402 91 HA ASN 16 HA ASN 16 5.213 2.518 7.443 92 HB2 ASN 16 1HB ASN 16 3.993 5.243 7.814 93 HB3 ASN 16 2HB ASN 16 4.811 4.232 9.001 94 HD21 ASN 16 1HD2 ASN 16 7.075 4.093 8.962 95 HD22 ASN 16 2HD2 ASN 16 8.036 5.298 8.182 96 H GLU 17 H GLU 17 2.877 3.736 5.267 97 HA GLU 17 HA GLU 17 0.524 3.254 6.763 98 HB2 GLU 17 1HB GLU 17 0.772 3.094 3.760 99 HB3 GLU 17 2HB GLU 17 -0.659 3.491 4.700 100 HG2 GLU 17 1HG GLU 17 1.813 5.192 4.730 101 HG3 GLU 17 2HG GLU 17 0.521 5.407 3.550 102 H CYS 18 H CYS 18 1.988 1.336 4.132 103 HA CYS 18 HA CYS 18 0.705 -1.049 5.296 104 HB2 CYS 18 1HB CYS 18 0.667 -2.005 3.039 105 HB3 CYS 18 2HB CYS 18 -0.208 -0.479 3.091 106 H GLY 19 H GLY 19 3.557 0.107 3.517 107 HA2 GLY 19 1HA GLY 19 5.675 -0.639 4.739 108 HA3 GLY 19 2HA GLY 19 5.029 -2.254 4.493 109 H LYS 20 H LYS 20 4.317 -0.134 1.948 110 HA LYS 20 HA LYS 20 5.833 -1.631 0.082 111 HB2 LYS 20 1HB LYS 20 3.705 -0.414 -0.426 112 HB3 LYS 20 2HB LYS 20 4.595 1.099 -0.313 113 HG2 LYS 20 1HG LYS 20 4.344 0.479 -2.621 114 HG3 LYS 20 2HG LYS 20 6.044 0.354 -2.162 115 HD2 LYS 20 1HD LYS 20 6.055 -1.931 -2.308 116 HD3 LYS 20 2HD LYS 20 4.340 -2.072 -1.914 117 HE2 LYS 20 1HE LYS 20 5.204 -0.813 -4.487 118 HE3 LYS 20 2HE LYS 20 5.148 -2.568 -4.333 119 HZ1 LYS 20 3HZ LYS 20 3.080 -1.225 -5.155 120 HZ2 LYS 20 1HZ LYS 20 2.806 -1.017 -3.499 121 HZ3 LYS 20 2HZ LYS 20 2.889 -2.574 -4.153 122 H GLY 21 H GLY 21 7.768 -1.244 -0.888 123 HA2 GLY 21 1HA GLY 21 9.279 1.097 0.103 124 HA3 GLY 21 2HA GLY 21 10.010 -0.476 -0.182 125 H PHE 22 H PHE 22 10.690 2.154 -1.299 126 HA PHE 22 HA PHE 22 10.599 1.377 -4.122 127 HB2 PHE 22 1HB PHE 22 9.992 4.163 -3.109 128 HB3 PHE 22 2HB PHE 22 10.146 3.701 -4.801 129 HD1 PHE 22 HD2 PHE 22 8.158 3.055 -1.736 130 HD2 PHE 22 HD1 PHE 22 8.302 2.922 -5.988 131 HE1 PHE 22 HE2 PHE 22 5.760 2.506 -1.797 132 HE2 PHE 22 HE1 PHE 22 5.905 2.374 -6.056 133 HZ PHE 22 HZ PHE 22 4.631 2.164 -3.959 134 H GLY 23 H GLY 23 12.233 2.527 -5.438 135 HA2 GLY 23 1HA GLY 23 14.751 2.544 -4.068 136 HA3 GLY 23 2HA GLY 23 14.491 2.869 -5.775 137 H ARG 24 H ARG 24 12.905 5.046 -5.807 138 HA ARG 24 HA ARG 24 14.652 7.081 -4.623 139 HB2 ARG 24 1HB ARG 24 12.542 7.515 -6.733 140 HB3 ARG 24 2HB ARG 24 13.878 8.577 -6.309 141 HG2 ARG 24 1HG ARG 24 14.388 5.827 -7.371 142 HG3 ARG 24 2HG ARG 24 14.035 7.173 -8.457 143 HD2 ARG 24 1HD ARG 24 15.902 8.350 -6.984 144 HD3 ARG 24 2HD ARG 24 16.407 6.678 -6.741 145 HE ARG 24 HE ARG 24 15.960 7.379 -9.496 146 HH11 ARG 24 1HH1 ARG 24 18.259 7.312 -6.883 147 HH12 ARG 24 2HH1 ARG 24 19.642 7.308 -7.927 148 HH21 ARG 24 1HH2 ARG 24 17.772 7.373 -10.881 149 HH22 ARG 24 2HH2 ARG 24 19.364 7.343 -10.201 150 H ARG 25 H ARG 25 13.502 9.177 -4.036 151 HA ARG 25 HA ARG 25 11.595 8.603 -1.998 152 HB2 ARG 25 1HB ARG 25 12.892 10.382 -1.367 153 HB3 ARG 25 2HB ARG 25 13.001 11.021 -3.002 154 HG2 ARG 25 1HG ARG 25 11.720 12.435 -1.390 155 HG3 ARG 25 2HG ARG 25 10.842 11.995 -2.857 156 HD2 ARG 25 1HD ARG 25 9.395 10.624 -1.745 157 HD3 ARG 25 2HD ARG 25 10.571 10.218 -0.495 158 HE ARG 25 HE ARG 25 9.704 11.903 0.763 159 HH11 ARG 25 1HH1 ARG 25 8.974 12.544 -2.580 160 HH12 ARG 25 2HH1 ARG 25 8.029 13.955 -2.238 161 HH21 ARG 25 1HH2 ARG 25 8.461 13.759 1.226 162 HH22 ARG 25 2HH2 ARG 25 7.738 14.645 -0.073 163 H SER 26 H SER 26 11.337 10.865 -4.747 164 HA SER 26 HA SER 26 8.653 11.367 -4.653 165 HB2 SER 26 1HB SER 26 10.317 11.007 -7.158 166 HB3 SER 26 2HB SER 26 8.771 11.850 -7.068 167 HG SER 26 HG SER 26 9.728 13.523 -6.199 168 H HIS 27 H HIS 27 10.251 8.494 -5.837 169 HA HIS 27 HA HIS 27 8.111 7.348 -7.250 170 HB2 HIS 27 1HB HIS 27 10.512 6.177 -5.862 171 HB3 HIS 27 2HB HIS 27 9.325 5.153 -6.666 172 HD1 HIS 27 HD1 HIS 27 12.247 5.280 -7.641 173 HD2 HIS 27 HD2 HIS 27 9.162 7.598 -9.178 174 HE1 HIS 27 HE1 HIS 27 12.985 5.932 -9.955 175 H LEU 28 H LEU 28 8.957 7.317 -3.836 176 HA LEU 28 HA LEU 28 6.818 5.473 -3.183 177 HB2 LEU 28 1HB LEU 28 8.663 5.154 -1.818 178 HB3 LEU 28 2HB LEU 28 8.955 6.883 -1.641 179 HG LEU 28 HG LEU 28 6.881 6.983 -0.221 180 HD11 LEU 28 1HD1 LEU 28 6.435 4.451 -1.190 181 HD12 LEU 28 2HD1 LEU 28 5.617 5.192 0.186 182 HD13 LEU 28 3HD1 LEU 28 7.018 4.154 0.448 183 HD21 LEU 28 3HD2 LEU 28 9.405 6.601 0.489 184 HD22 LEU 28 1HD2 LEU 28 8.746 5.077 1.084 185 HD23 LEU 28 2HD2 LEU 28 8.094 6.608 1.670 186 H ALA 29 H ALA 29 7.607 8.881 -2.540 187 HA ALA 29 HA ALA 29 5.608 9.763 -0.995 188 HB1 ALA 29 3HB ALA 29 7.196 10.934 -3.100 189 HB2 ALA 29 1HB ALA 29 5.590 11.660 -3.033 190 HB3 ALA 29 2HB ALA 29 6.615 11.651 -1.597 191 H GLY 30 H GLY 30 5.263 9.033 -4.452 192 HA2 GLY 30 1HA GLY 30 2.544 9.816 -4.644 193 HA3 GLY 30 2HA GLY 30 3.399 8.773 -5.771 194 H HIS 31 H HIS 31 4.099 6.745 -3.877 195 HA HIS 31 HA HIS 31 1.899 5.057 -4.080 196 HB2 HIS 31 1HB HIS 31 4.067 4.103 -3.762 197 HB3 HIS 31 2HB HIS 31 4.295 4.968 -2.245 198 HD1 HIS 31 HD1 HIS 31 2.343 2.095 -3.715 199 HD2 HIS 31 HD2 HIS 31 3.331 3.687 -0.007 200 HE1 HIS 31 HE1 HIS 31 1.586 0.391 -2.028 201 H LEU 32 H LEU 32 2.509 7.567 -1.848 202 HA LEU 32 HA LEU 32 0.656 6.514 0.142 203 HB2 LEU 32 1HB LEU 32 2.234 9.083 0.079 204 HB3 LEU 32 2HB LEU 32 1.242 8.527 1.426 205 HG LEU 32 HG LEU 32 3.270 7.864 2.194 206 HD11 LEU 32 1HD1 LEU 32 2.459 5.627 0.352 207 HD12 LEU 32 2HD1 LEU 32 2.065 5.818 2.060 208 HD13 LEU 32 3HD1 LEU 32 3.726 5.483 1.570 209 HD21 LEU 32 3HD2 LEU 32 5.165 7.946 1.004 210 HD22 LEU 32 1HD2 LEU 32 4.153 8.606 -0.281 211 HD23 LEU 32 2HD2 LEU 32 4.534 6.884 -0.255 212 H ARG 33 H ARG 33 0.716 8.668 -2.535 213 HA ARG 33 HA ARG 33 -1.357 10.427 -1.860 214 HB2 ARG 33 1HB ARG 33 -0.336 9.404 -4.502 215 HB3 ARG 33 2HB ARG 33 -1.662 10.555 -4.405 216 HG2 ARG 33 1HG ARG 33 -0.208 12.127 -3.223 217 HG3 ARG 33 2HG ARG 33 1.122 10.972 -3.335 218 HD2 ARG 33 1HD ARG 33 1.378 11.283 -5.601 219 HD3 ARG 33 2HD ARG 33 -0.293 11.801 -5.824 220 HE ARG 33 HE ARG 33 1.367 13.601 -4.283 221 HH11 ARG 33 1HH1 ARG 33 0.121 12.747 -7.419 222 HH12 ARG 33 2HH1 ARG 33 0.367 14.325 -8.091 223 HH21 ARG 33 1HH2 ARG 33 1.697 15.682 -5.156 224 HH22 ARG 33 2HH2 ARG 33 1.265 15.994 -6.803 225 H LEU 34 H LEU 34 -1.398 7.116 -2.913 226 HA LEU 34 HA LEU 34 -4.214 7.129 -3.567 227 HB2 LEU 34 1HB LEU 34 -3.907 4.703 -3.870 228 HB3 LEU 34 2HB LEU 34 -2.776 5.669 -4.815 229 HG LEU 34 HG LEU 34 -1.176 5.213 -2.782 230 HD11 LEU 34 1HD1 LEU 34 -1.676 2.751 -2.097 231 HD12 LEU 34 2HD1 LEU 34 -3.343 3.183 -2.477 232 HD13 LEU 34 3HD1 LEU 34 -2.459 4.080 -1.242 233 HD21 LEU 34 3HD2 LEU 34 -0.662 2.929 -3.953 234 HD22 LEU 34 1HD2 LEU 34 -0.426 4.450 -4.814 235 HD23 LEU 34 2HD2 LEU 34 -1.872 3.485 -5.111 236 H HIS 35 H HIS 35 -2.268 6.656 -0.784 237 HA HIS 35 HA HIS 35 -4.078 5.007 0.684 238 HB2 HIS 35 1HB HIS 35 -1.596 6.534 1.287 239 HB3 HIS 35 2HB HIS 35 -2.644 6.128 2.643 240 HD1 HIS 35 HD1 HIS 35 -3.328 3.404 2.601 241 HD2 HIS 35 HD2 HIS 35 0.213 4.600 0.786 242 HE1 HIS 35 HE1 HIS 35 -1.919 1.327 2.442 243 H SER 36 H SER 36 -4.354 8.122 -0.357 244 HA SER 36 HA SER 36 -5.925 8.969 1.982 245 HB2 SER 36 1HB SER 36 -4.101 10.496 1.260 246 HB3 SER 36 2HB SER 36 -4.892 10.661 -0.307 247 HG SER 36 HG SER 36 -5.883 12.253 0.652 248 H ARG 37 H ARG 37 -6.008 9.060 -1.580 249 HA ARG 37 HA ARG 37 -8.567 9.937 -1.993 250 HB2 ARG 37 1HB ARG 37 -8.530 8.719 -4.115 251 HB3 ARG 37 2HB ARG 37 -6.983 9.497 -3.808 252 HG2 ARG 37 1HG ARG 37 -6.120 7.315 -2.983 253 HG3 ARG 37 2HG ARG 37 -7.643 6.579 -3.487 254 HD2 ARG 37 1HD ARG 37 -5.755 8.072 -5.305 255 HD3 ARG 37 2HD ARG 37 -5.833 6.317 -5.154 256 HE ARG 37 HE ARG 37 -7.830 6.318 -6.333 257 HH11 ARG 37 1HH1 ARG 37 -6.773 9.570 -5.681 258 HH12 ARG 37 2HH1 ARG 37 -7.886 10.294 -6.794 259 HH21 ARG 37 1HH2 ARG 37 -9.300 7.260 -7.802 260 HH22 ARG 37 2HH2 ARG 37 -9.323 8.979 -7.999 261 H GLU 38 H GLU 38 -7.563 6.554 -1.510 262 HA GLU 38 HA GLU 38 -10.377 5.835 -1.084 263 HB2 GLU 38 1HB GLU 38 -9.457 3.463 -1.231 264 HB3 GLU 38 2HB GLU 38 -9.433 4.414 -2.709 265 HG2 GLU 38 1HG GLU 38 -7.146 4.637 -2.694 266 HG3 GLU 38 2HG GLU 38 -7.026 4.377 -0.954 267 H LYS 39 H LYS 39 -9.184 7.271 0.957 268 HA LYS 39 HA LYS 39 -8.307 5.384 2.986 269 HB2 LYS 39 1HB LYS 39 -7.513 7.878 2.552 270 HB3 LYS 39 2HB LYS 39 -8.872 8.247 3.606 271 HG2 LYS 39 1HG LYS 39 -7.733 6.382 5.104 272 HG3 LYS 39 2HG LYS 39 -6.301 6.906 4.216 273 HD2 LYS 39 1HD LYS 39 -6.646 9.190 4.931 274 HD3 LYS 39 2HD LYS 39 -8.161 8.745 5.721 275 HE2 LYS 39 1HE LYS 39 -5.439 7.677 6.462 276 HE3 LYS 39 2HE LYS 39 -6.276 8.981 7.303 277 HZ1 LYS 39 3HZ LYS 39 -7.082 7.345 8.567 278 HZ2 LYS 39 1HZ LYS 39 -6.692 6.135 7.451 279 HZ3 LYS 39 2HZ LYS 39 -8.123 7.017 7.275 280 H SER 40 H SER 40 -11.062 7.492 2.313 281 HA SER 40 HA SER 40 -12.436 6.829 4.738 282 HB2 SER 40 1HB SER 40 -12.817 8.971 3.578 283 HB3 SER 40 2HB SER 40 -13.490 8.102 2.199 284 HG SER 40 HG SER 40 -14.930 7.189 4.015 285 H SER 41 H SER 41 -12.416 4.530 4.680 286 HA SER 41 HA SER 41 -14.066 3.269 2.614 287 HB2 SER 41 1HB SER 41 -13.112 1.187 3.274 288 HB3 SER 41 2HB SER 41 -11.782 2.345 3.246 289 HG SER 41 HG SER 41 -11.758 1.074 5.143 290 H GLY 42 H GLY 42 -15.573 1.526 3.358 291 HA2 GLY 42 1HA GLY 42 -16.810 0.680 5.349 292 HA3 GLY 42 2HA GLY 42 -16.912 2.358 5.859 293 HA PRO 43 HA PRO 43 -19.861 1.657 2.047 294 HB2 PRO 43 1HB PRO 43 -20.683 -0.913 1.748 295 HB3 PRO 43 2HB PRO 43 -19.271 -0.252 0.914 296 HG2 PRO 43 1HG PRO 43 -19.396 -1.921 3.396 297 HG3 PRO 43 2HG PRO 43 -18.287 -2.047 2.018 298 HD2 PRO 43 1HD PRO 43 -17.587 -0.858 4.349 299 HD3 PRO 43 2HD PRO 43 -16.948 -0.331 2.778 300 H SER 44 H SER 44 -20.269 -0.682 4.707 301 HA SER 44 HA SER 44 -22.575 0.741 5.685 302 HB2 SER 44 1HB SER 44 -22.883 -2.038 4.525 303 HB3 SER 44 2HB SER 44 -24.087 -1.249 5.544 304 HG SER 44 HG SER 44 -23.225 -0.536 2.952 305 H SER 45 H SER 45 -23.415 -0.212 7.699 306 HA SER 45 HA SER 45 -21.228 -1.445 9.202 307 HB2 SER 45 1HB SER 45 -23.711 0.050 10.049 308 HB3 SER 45 2HB SER 45 -22.675 -0.798 11.198 309 HG SER 45 HG SER 45 -21.012 0.599 9.839 310 H GLY 46 H GLY 46 -22.528 -3.183 7.483 311 HA2 GLY 46 1HA GLY 46 -23.516 -5.254 7.443 312 HA3 GLY 46 2HA GLY 46 -23.164 -5.324 9.163 Start of MODEL 2 1 H1 GLY 1 H GLY 1 8.223 -15.873 15.931 2 HA2 GLY 1 1HA GLY 1 8.291 -14.042 18.224 3 HA3 GLY 1 2HA GLY 1 9.417 -13.769 16.903 4 H SER 2 H SER 2 6.122 -13.559 17.958 5 HA SER 2 HA SER 2 5.213 -12.577 15.371 6 HB2 SER 2 1HB SER 2 3.881 -14.110 17.015 7 HB3 SER 2 2HB SER 2 3.518 -12.599 17.850 8 HG SER 2 HG SER 2 2.893 -13.313 15.181 9 H SER 3 H SER 3 7.147 -10.939 16.318 10 HA SER 3 HA SER 3 5.742 -8.641 17.494 11 HB2 SER 3 1HB SER 3 8.201 -7.786 17.697 12 HB3 SER 3 2HB SER 3 7.624 -9.019 18.819 13 HG SER 3 HG SER 3 8.893 -9.726 16.401 14 H GLY 4 H GLY 4 7.235 -9.809 14.622 15 HA2 GLY 4 1HA GLY 4 6.547 -8.633 12.568 16 HA3 GLY 4 2HA GLY 4 6.918 -7.133 13.406 17 H SER 5 H SER 5 8.764 -10.161 13.210 18 HA SER 5 HA SER 5 11.103 -8.614 12.401 19 HB2 SER 5 1HB SER 5 11.180 -10.313 14.283 20 HB3 SER 5 2HB SER 5 10.994 -11.563 13.054 21 HG SER 5 HG SER 5 12.951 -9.790 12.416 22 H SER 6 H SER 6 10.431 -8.189 10.241 23 HA SER 6 HA SER 6 11.408 -10.030 8.344 24 HB2 SER 6 1HB SER 6 9.286 -11.200 8.835 25 HB3 SER 6 2HB SER 6 8.393 -9.747 8.390 26 HG SER 6 HG SER 6 8.480 -11.141 6.629 27 H GLY 7 H GLY 7 11.089 -9.256 6.092 28 HA2 GLY 7 1HA GLY 7 10.288 -6.435 5.921 29 HA3 GLY 7 2HA GLY 7 11.920 -6.877 5.439 30 H SER 8 H SER 8 9.975 -5.655 3.762 31 HA SER 8 HA SER 8 9.496 -7.823 1.822 32 HB2 SER 8 1HB SER 8 7.631 -6.441 0.941 33 HB3 SER 8 2HB SER 8 7.384 -6.910 2.623 34 HG SER 8 HG SER 8 8.117 -4.395 1.575 35 H GLY 9 H GLY 9 11.970 -6.593 1.929 36 HA2 GLY 9 1HA GLY 9 12.984 -6.128 -0.361 37 HA3 GLY 9 2HA GLY 9 11.920 -4.730 -0.359 38 H GLU 10 H GLU 10 14.907 -5.028 -0.425 39 HA GLU 10 HA GLU 10 15.655 -3.689 2.066 40 HB2 GLU 10 1HB GLU 10 17.159 -5.096 -0.097 41 HB3 GLU 10 2HB GLU 10 17.996 -3.878 0.854 42 HG2 GLU 10 1HG GLU 10 17.618 -5.079 2.872 43 HG3 GLU 10 2HG GLU 10 16.530 -6.207 2.063 44 H ARG 11 H ARG 11 14.008 -2.224 0.333 45 HA ARG 11 HA ARG 11 15.569 -0.456 -1.289 46 HB2 ARG 11 1HB ARG 11 12.712 -0.457 -0.347 47 HB3 ARG 11 2HB ARG 11 13.384 0.910 -1.227 48 HG2 ARG 11 1HG ARG 11 13.268 -1.927 -2.229 49 HG3 ARG 11 2HG ARG 11 12.174 -0.623 -2.694 50 HD2 ARG 11 1HD ARG 11 14.305 0.634 -3.392 51 HD3 ARG 11 2HD ARG 11 15.094 -0.940 -3.303 52 HE ARG 11 HE ARG 11 13.311 -0.020 -5.343 53 HH11 ARG 11 1HH1 ARG 11 14.489 -2.839 -3.674 54 HH12 ARG 11 2HH1 ARG 11 14.142 -3.920 -4.983 55 HH21 ARG 11 1HH2 ARG 11 12.849 -1.433 -7.073 56 HH22 ARG 11 2HH2 ARG 11 13.210 -3.119 -6.916 57 HA PRO 12 HA PRO 12 16.852 2.550 1.639 58 HB2 PRO 12 1HB PRO 12 16.640 4.842 0.201 59 HB3 PRO 12 2HB PRO 12 17.895 3.634 -0.096 60 HG2 PRO 12 1HG PRO 12 15.313 4.079 -1.544 61 HG3 PRO 12 2HG PRO 12 16.922 3.736 -2.206 62 HD2 PRO 12 1HD PRO 12 15.014 1.831 -1.953 63 HD3 PRO 12 2HD PRO 12 16.746 1.474 -1.796 64 H PHE 13 H PHE 13 13.761 3.036 0.048 65 HA PHE 13 HA PHE 13 12.867 4.639 2.353 66 HB2 PHE 13 1HB PHE 13 11.996 4.677 -0.533 67 HB3 PHE 13 2HB PHE 13 11.030 5.402 0.748 68 HD1 PHE 13 HD1 PHE 13 14.648 5.383 -0.182 69 HD2 PHE 13 HD2 PHE 13 11.212 7.678 0.841 70 HE1 PHE 13 HE1 PHE 13 15.979 7.445 -0.354 71 HE2 PHE 13 HE2 PHE 13 12.537 9.744 0.669 72 HZ PHE 13 HZ PHE 13 14.923 9.630 0.070 73 H LYS 14 H LYS 14 10.566 4.367 2.935 74 HA LYS 14 HA LYS 14 9.296 1.886 2.148 75 HB2 LYS 14 1HB LYS 14 10.908 1.272 3.975 76 HB3 LYS 14 2HB LYS 14 10.009 2.335 5.050 77 HG2 LYS 14 1HG LYS 14 7.968 0.890 4.328 78 HG3 LYS 14 2HG LYS 14 9.205 -0.281 3.865 79 HD2 LYS 14 1HD LYS 14 9.962 -0.531 6.053 80 HD3 LYS 14 2HD LYS 14 9.245 0.995 6.576 81 HE2 LYS 14 1HE LYS 14 7.030 0.058 6.424 82 HE3 LYS 14 2HE LYS 14 7.667 -1.433 5.734 83 HZ1 LYS 14 3HZ LYS 14 7.326 -1.923 7.967 84 HZ2 LYS 14 1HZ LYS 14 7.925 -0.434 8.501 85 HZ3 LYS 14 2HZ LYS 14 8.985 -1.602 7.891 86 H CYS 15 H CYS 15 7.104 1.723 2.858 87 HA CYS 15 HA CYS 15 5.916 4.341 3.372 88 HB2 CYS 15 1HB CYS 15 4.982 3.170 1.493 89 HB3 CYS 15 2HB CYS 15 4.736 1.715 2.454 90 H ASN 16 H ASN 16 5.156 4.904 5.298 91 HA ASN 16 HA ASN 16 5.153 2.979 7.458 92 HB2 ASN 16 1HB ASN 16 4.984 5.941 7.227 93 HB3 ASN 16 2HB ASN 16 4.266 5.202 8.656 94 HD21 ASN 16 1HD2 ASN 16 7.224 5.574 6.814 95 HD22 ASN 16 2HD2 ASN 16 8.302 5.230 8.120 96 H GLU 17 H GLU 17 3.153 2.773 5.291 97 HA GLU 17 HA GLU 17 0.715 3.033 6.927 98 HB2 GLU 17 1HB GLU 17 0.704 2.947 3.921 99 HB3 GLU 17 2HB GLU 17 -0.564 3.499 5.005 100 HG2 GLU 17 1HG GLU 17 2.073 4.909 4.813 101 HG3 GLU 17 2HG GLU 17 0.742 5.259 3.712 102 H CYS 18 H CYS 18 2.016 1.191 4.161 103 HA CYS 18 HA CYS 18 0.637 -1.187 5.220 104 HB2 CYS 18 1HB CYS 18 0.674 -2.057 2.910 105 HB3 CYS 18 2HB CYS 18 -0.202 -0.534 3.027 106 H GLY 19 H GLY 19 3.603 -0.056 3.636 107 HA2 GLY 19 1HA GLY 19 5.649 -0.936 4.848 108 HA3 GLY 19 2HA GLY 19 4.940 -2.519 4.567 109 H LYS 20 H LYS 20 4.543 -0.141 2.110 110 HA LYS 20 HA LYS 20 5.936 -1.740 0.204 111 HB2 LYS 20 1HB LYS 20 3.919 -0.204 -0.194 112 HB3 LYS 20 2HB LYS 20 5.080 1.118 -0.216 113 HG2 LYS 20 1HG LYS 20 4.503 0.323 -2.465 114 HG3 LYS 20 2HG LYS 20 6.221 0.142 -2.104 115 HD2 LYS 20 1HD LYS 20 6.090 -2.154 -1.986 116 HD3 LYS 20 2HD LYS 20 4.377 -2.141 -1.563 117 HE2 LYS 20 1HE LYS 20 5.455 -1.357 -4.266 118 HE3 LYS 20 2HE LYS 20 4.883 -2.976 -3.867 119 HZ1 LYS 20 3HZ LYS 20 2.805 -2.332 -4.206 120 HZ2 LYS 20 1HZ LYS 20 3.373 -0.830 -4.741 121 HZ3 LYS 20 2HZ LYS 20 2.957 -1.047 -3.116 122 H GLY 21 H GLY 21 7.709 -0.985 -1.159 123 HA2 GLY 21 1HA GLY 21 9.454 1.004 0.126 124 HA3 GLY 21 2HA GLY 21 10.083 -0.603 -0.203 125 H PHE 22 H PHE 22 10.696 2.196 -1.233 126 HA PHE 22 HA PHE 22 10.801 1.421 -4.058 127 HB2 PHE 22 1HB PHE 22 10.042 4.189 -3.101 128 HB3 PHE 22 2HB PHE 22 10.208 3.675 -4.776 129 HD1 PHE 22 HD2 PHE 22 8.280 2.962 -1.679 130 HD2 PHE 22 HD1 PHE 22 8.366 2.886 -5.934 131 HE1 PHE 22 HE2 PHE 22 5.905 2.320 -1.712 132 HE2 PHE 22 HE1 PHE 22 5.991 2.245 -5.974 133 HZ PHE 22 HZ PHE 22 4.758 1.960 -3.861 134 H GLY 23 H GLY 23 12.377 2.811 -5.293 135 HA2 GLY 23 1HA GLY 23 14.823 2.985 -3.744 136 HA3 GLY 23 2HA GLY 23 14.675 3.151 -5.487 137 H ARG 24 H ARG 24 12.901 5.198 -5.763 138 HA ARG 24 HA ARG 24 14.475 7.446 -4.750 139 HB2 ARG 24 1HB ARG 24 12.298 7.512 -6.841 140 HB3 ARG 24 2HB ARG 24 13.505 8.749 -6.513 141 HG2 ARG 24 1HG ARG 24 14.404 6.027 -7.323 142 HG3 ARG 24 2HG ARG 24 13.766 7.130 -8.544 143 HD2 ARG 24 1HD ARG 24 15.998 7.657 -8.618 144 HD3 ARG 24 2HD ARG 24 15.424 8.826 -7.430 145 HE ARG 24 HE ARG 24 16.301 6.388 -6.225 146 HH11 ARG 24 1HH1 ARG 24 17.377 9.424 -7.547 147 HH12 ARG 24 2HH1 ARG 24 18.835 9.463 -6.613 148 HH21 ARG 24 1HH2 ARG 24 18.217 6.429 -4.988 149 HH22 ARG 24 2HH2 ARG 24 19.312 7.759 -5.158 150 H ARG 25 H ARG 25 13.510 9.258 -3.769 151 HA ARG 25 HA ARG 25 11.528 8.708 -1.876 152 HB2 ARG 25 1HB ARG 25 12.784 10.493 -1.206 153 HB3 ARG 25 2HB ARG 25 12.931 11.139 -2.834 154 HG2 ARG 25 1HG ARG 25 11.634 12.594 -1.336 155 HG3 ARG 25 2HG ARG 25 10.701 12.041 -2.728 156 HD2 ARG 25 1HD ARG 25 9.337 10.718 -1.461 157 HD3 ARG 25 2HD ARG 25 10.575 10.425 -0.241 158 HE ARG 25 HE ARG 25 8.679 12.602 -0.313 159 HH11 ARG 25 1HH1 ARG 25 11.678 11.407 0.988 160 HH12 ARG 25 2HH1 ARG 25 11.639 12.442 2.377 161 HH21 ARG 25 1HH2 ARG 25 8.616 13.970 1.511 162 HH22 ARG 25 2HH2 ARG 25 9.896 13.898 2.674 163 H SER 26 H SER 26 11.278 10.847 -4.724 164 HA SER 26 HA SER 26 8.570 11.377 -4.574 165 HB2 SER 26 1HB SER 26 8.743 12.252 -6.717 166 HB3 SER 26 2HB SER 26 10.430 12.266 -6.203 167 HG SER 26 HG SER 26 10.877 10.831 -7.674 168 H HIS 27 H HIS 27 10.219 8.569 -5.878 169 HA HIS 27 HA HIS 27 8.090 7.402 -7.270 170 HB2 HIS 27 1HB HIS 27 10.546 6.286 -5.945 171 HB3 HIS 27 2HB HIS 27 9.358 5.214 -6.681 172 HD1 HIS 27 HD1 HIS 27 12.106 5.186 -7.872 173 HD2 HIS 27 HD2 HIS 27 9.152 7.822 -9.133 174 HE1 HIS 27 HE1 HIS 27 12.764 5.869 -10.201 175 H LEU 28 H LEU 28 8.933 7.358 -3.861 176 HA LEU 28 HA LEU 28 6.851 5.444 -3.226 177 HB2 LEU 28 1HB LEU 28 8.674 5.150 -1.844 178 HB3 LEU 28 2HB LEU 28 8.968 6.881 -1.692 179 HG LEU 28 HG LEU 28 6.904 7.003 -0.261 180 HD11 LEU 28 1HD1 LEU 28 5.599 5.237 0.049 181 HD12 LEU 28 2HD1 LEU 28 6.970 4.241 0.537 182 HD13 LEU 28 3HD1 LEU 28 6.548 4.385 -1.169 183 HD21 LEU 28 3HD2 LEU 28 9.448 6.576 0.425 184 HD22 LEU 28 1HD2 LEU 28 8.732 5.108 1.090 185 HD23 LEU 28 2HD2 LEU 28 8.146 6.688 1.610 186 H ALA 29 H ALA 29 7.519 8.882 -2.652 187 HA ALA 29 HA ALA 29 5.488 9.683 -1.072 188 HB1 ALA 29 3HB ALA 29 5.375 11.748 -2.679 189 HB2 ALA 29 1HB ALA 29 6.832 11.418 -1.741 190 HB3 ALA 29 2HB ALA 29 6.757 10.965 -3.445 191 H GLY 30 H GLY 30 5.206 8.945 -4.529 192 HA2 GLY 30 1HA GLY 30 2.477 9.678 -4.768 193 HA3 GLY 30 2HA GLY 30 3.368 8.644 -5.875 194 H HIS 31 H HIS 31 4.075 6.688 -3.847 195 HA HIS 31 HA HIS 31 1.912 4.936 -4.109 196 HB2 HIS 31 1HB HIS 31 4.086 4.022 -3.740 197 HB3 HIS 31 2HB HIS 31 4.281 4.921 -2.238 198 HD1 HIS 31 HD1 HIS 31 2.458 1.957 -3.674 199 HD2 HIS 31 HD2 HIS 31 3.249 3.699 0.015 200 HE1 HIS 31 HE1 HIS 31 1.693 0.282 -1.961 201 H LEU 32 H LEU 32 2.434 7.487 -1.901 202 HA LEU 32 HA LEU 32 0.565 6.425 0.070 203 HB2 LEU 32 1HB LEU 32 2.019 9.065 0.029 204 HB3 LEU 32 2HB LEU 32 1.115 8.388 1.382 205 HG LEU 32 HG LEU 32 3.203 7.847 2.070 206 HD11 LEU 32 1HD1 LEU 32 3.808 5.544 1.409 207 HD12 LEU 32 2HD1 LEU 32 2.605 5.626 0.123 208 HD13 LEU 32 3HD1 LEU 32 2.099 5.723 1.809 209 HD21 LEU 32 3HD2 LEU 32 4.962 7.121 0.246 210 HD22 LEU 32 1HD2 LEU 32 4.633 8.822 0.576 211 HD23 LEU 32 2HD2 LEU 32 3.892 8.036 -0.818 212 H ARG 33 H ARG 33 0.752 8.826 -2.463 213 HA ARG 33 HA ARG 33 -1.372 10.472 -1.913 214 HB2 ARG 33 1HB ARG 33 -0.437 9.361 -4.558 215 HB3 ARG 33 2HB ARG 33 -1.667 10.611 -4.426 216 HG2 ARG 33 1HG ARG 33 0.037 11.962 -3.133 217 HG3 ARG 33 2HG ARG 33 1.229 10.770 -3.653 218 HD2 ARG 33 1HD ARG 33 -0.479 12.516 -5.421 219 HD3 ARG 33 2HD ARG 33 1.259 12.654 -5.161 220 HE ARG 33 HE ARG 33 1.067 10.172 -6.118 221 HH11 ARG 33 1HH1 ARG 33 -0.354 13.159 -7.204 222 HH12 ARG 33 2HH1 ARG 33 -0.389 12.688 -8.871 223 HH21 ARG 33 1HH2 ARG 33 1.027 9.540 -8.310 224 HH22 ARG 33 2HH2 ARG 33 0.396 10.629 -9.499 225 H LEU 34 H LEU 34 -1.436 7.171 -3.090 226 HA LEU 34 HA LEU 34 -4.233 7.163 -3.700 227 HB2 LEU 34 1HB LEU 34 -3.934 4.706 -3.850 228 HB3 LEU 34 2HB LEU 34 -2.818 5.629 -4.855 229 HG LEU 34 HG LEU 34 -1.175 5.303 -2.860 230 HD11 LEU 34 1HD1 LEU 34 -1.914 4.091 -1.160 231 HD12 LEU 34 2HD1 LEU 34 -2.075 2.711 -2.245 232 HD13 LEU 34 3HD1 LEU 34 -3.442 3.795 -1.989 233 HD21 LEU 34 3HD2 LEU 34 -0.964 4.359 -5.145 234 HD22 LEU 34 1HD2 LEU 34 -1.898 2.960 -4.615 235 HD23 LEU 34 2HD2 LEU 34 -0.329 3.301 -3.885 236 H HIS 35 H HIS 35 -2.265 6.364 -0.913 237 HA HIS 35 HA HIS 35 -4.153 4.941 0.585 238 HB2 HIS 35 1HB HIS 35 -1.682 6.478 1.201 239 HB3 HIS 35 2HB HIS 35 -2.760 6.113 2.545 240 HD1 HIS 35 HD1 HIS 35 -3.453 3.391 2.564 241 HD2 HIS 35 HD2 HIS 35 0.132 4.525 0.796 242 HE1 HIS 35 HE1 HIS 35 -2.048 1.306 2.495 243 H SER 36 H SER 36 -3.715 8.374 0.072 244 HA SER 36 HA SER 36 -5.621 9.101 2.126 245 HB2 SER 36 1HB SER 36 -5.112 11.358 1.600 246 HB3 SER 36 2HB SER 36 -3.585 10.489 1.441 247 HG SER 36 HG SER 36 -3.541 11.028 -0.581 248 H ARG 37 H ARG 37 -6.705 7.347 0.230 249 HA ARG 37 HA ARG 37 -8.595 9.097 -1.204 250 HB2 ARG 37 1HB ARG 37 -8.762 7.543 -2.939 251 HB3 ARG 37 2HB ARG 37 -7.049 7.526 -2.544 252 HG2 ARG 37 1HG ARG 37 -7.369 5.495 -1.225 253 HG3 ARG 37 2HG ARG 37 -9.089 5.514 -1.619 254 HD2 ARG 37 1HD ARG 37 -8.406 5.440 -4.048 255 HD3 ARG 37 2HD ARG 37 -6.765 5.120 -3.490 256 HE ARG 37 HE ARG 37 -8.131 3.204 -2.233 257 HH11 ARG 37 1HH1 ARG 37 -8.217 4.281 -5.543 258 HH12 ARG 37 2HH1 ARG 37 -8.644 2.725 -6.174 259 HH21 ARG 37 1HH2 ARG 37 -8.694 1.151 -3.053 260 HH22 ARG 37 2HH2 ARG 37 -8.916 0.946 -4.757 261 H GLU 38 H GLU 38 -8.232 6.131 0.682 262 HA GLU 38 HA GLU 38 -11.137 6.162 1.172 263 HB2 GLU 38 1HB GLU 38 -10.877 3.753 1.761 264 HB3 GLU 38 2HB GLU 38 -10.501 4.117 0.083 265 HG2 GLU 38 1HG GLU 38 -8.069 4.224 0.816 266 HG3 GLU 38 2HG GLU 38 -8.609 3.479 2.319 267 H LYS 39 H LYS 39 -10.367 7.897 2.750 268 HA LYS 39 HA LYS 39 -9.470 6.663 5.268 269 HB2 LYS 39 1HB LYS 39 -9.397 9.579 4.470 270 HB3 LYS 39 2HB LYS 39 -8.767 8.898 5.964 271 HG2 LYS 39 1HG LYS 39 -7.735 7.823 3.397 272 HG3 LYS 39 2HG LYS 39 -7.206 9.428 3.907 273 HD2 LYS 39 1HD LYS 39 -7.094 7.065 5.758 274 HD3 LYS 39 2HD LYS 39 -5.787 7.417 4.625 275 HE2 LYS 39 1HE LYS 39 -5.556 9.654 5.610 276 HE3 LYS 39 2HE LYS 39 -6.844 9.277 6.753 277 HZ1 LYS 39 3HZ LYS 39 -4.074 8.547 6.825 278 HZ2 LYS 39 1HZ LYS 39 -5.097 7.220 7.056 279 HZ3 LYS 39 2HZ LYS 39 -5.217 8.567 8.072 280 H SER 40 H SER 40 -10.892 6.479 6.866 281 HA SER 40 HA SER 40 -13.585 7.240 6.598 282 HB2 SER 40 1HB SER 40 -12.417 5.440 8.134 283 HB3 SER 40 2HB SER 40 -12.403 6.758 9.306 284 HG SER 40 HG SER 40 -14.717 5.864 7.927 285 H SER 41 H SER 41 -14.757 8.575 8.284 286 HA SER 41 HA SER 41 -13.282 11.090 8.702 287 HB2 SER 41 1HB SER 41 -15.338 10.983 7.116 288 HB3 SER 41 2HB SER 41 -16.282 10.914 8.604 289 HG SER 41 HG SER 41 -14.327 12.908 8.184 290 H GLY 42 H GLY 42 -12.499 10.245 10.738 291 HA2 GLY 42 1HA GLY 42 -13.135 11.133 13.028 292 HA3 GLY 42 2HA GLY 42 -14.575 10.145 12.835 293 HA PRO 43 HA PRO 43 -12.459 6.873 14.860 294 HB2 PRO 43 1HB PRO 43 -13.898 4.766 13.933 295 HB3 PRO 43 2HB PRO 43 -14.523 5.902 15.135 296 HG2 PRO 43 1HG PRO 43 -15.015 5.804 12.183 297 HG3 PRO 43 2HG PRO 43 -16.166 6.094 13.501 298 HD2 PRO 43 1HD PRO 43 -15.131 8.098 12.003 299 HD3 PRO 43 2HD PRO 43 -15.558 8.307 13.714 300 H SER 44 H SER 44 -10.453 7.116 13.708 301 HA SER 44 HA SER 44 -10.124 5.438 11.330 302 HB2 SER 44 1HB SER 44 -8.425 7.592 12.583 303 HB3 SER 44 2HB SER 44 -7.799 6.527 11.324 304 HG SER 44 HG SER 44 -10.181 8.030 11.026 305 H SER 45 H SER 45 -8.249 6.101 14.295 306 HA SER 45 HA SER 45 -7.302 3.320 14.218 307 HB2 SER 45 1HB SER 45 -5.638 5.253 14.216 308 HB3 SER 45 2HB SER 45 -6.137 5.555 15.880 309 HG SER 45 HG SER 45 -4.299 4.191 15.760 310 H GLY 46 H GLY 46 -8.114 1.923 15.628 311 HA2 GLY 46 1HA GLY 46 -10.122 2.347 17.415 312 HA3 GLY 46 2HA GLY 46 -8.937 1.063 17.605 Start of MODEL 3 1 H1 GLY 1 H GLY 1 9.773 -10.435 6.302 2 HA2 GLY 1 1HA GLY 1 8.334 -12.882 6.658 3 HA3 GLY 1 2HA GLY 1 9.406 -12.489 5.321 4 H SER 2 H SER 2 9.312 -15.029 6.437 5 HA SER 2 HA SER 2 11.606 -15.259 8.217 6 HB2 SER 2 1HB SER 2 9.671 -17.308 7.119 7 HB3 SER 2 2HB SER 2 11.036 -17.712 8.159 8 HG SER 2 HG SER 2 9.361 -17.437 9.530 9 H SER 3 H SER 3 13.180 -17.085 7.685 10 HA SER 3 HA SER 3 14.804 -16.462 5.615 11 HB2 SER 3 1HB SER 3 15.491 -18.050 7.311 12 HB3 SER 3 2HB SER 3 14.302 -19.224 6.749 13 HG SER 3 HG SER 3 16.780 -18.580 5.720 14 H GLY 4 H GLY 4 14.817 -16.632 3.461 15 HA2 GLY 4 1HA GLY 4 14.119 -18.512 1.737 16 HA3 GLY 4 2HA GLY 4 12.527 -17.911 2.177 17 H SER 5 H SER 5 11.720 -16.325 0.978 18 HA SER 5 HA SER 5 13.233 -15.206 -1.161 19 HB2 SER 5 1HB SER 5 10.436 -14.965 -0.161 20 HB3 SER 5 2HB SER 5 11.040 -13.688 -1.216 21 HG SER 5 HG SER 5 10.203 -16.136 -1.875 22 H SER 6 H SER 6 14.970 -14.158 -0.088 23 HA SER 6 HA SER 6 14.232 -11.689 1.336 24 HB2 SER 6 1HB SER 6 15.749 -13.503 2.420 25 HB3 SER 6 2HB SER 6 16.999 -12.866 1.352 26 HG SER 6 HG SER 6 15.527 -11.427 3.306 27 H GLY 7 H GLY 7 15.814 -9.858 1.014 28 HA2 GLY 7 1HA GLY 7 16.545 -9.720 -1.846 29 HA3 GLY 7 2HA GLY 7 15.969 -8.347 -0.911 30 H SER 8 H SER 8 18.159 -7.805 -2.196 31 HA SER 8 HA SER 8 20.348 -8.144 -0.251 32 HB2 SER 8 1HB SER 8 20.490 -7.814 -3.256 33 HB3 SER 8 2HB SER 8 21.893 -7.775 -2.189 34 HG SER 8 HG SER 8 21.290 -9.865 -3.217 35 H GLY 9 H GLY 9 19.596 -6.284 0.899 36 HA2 GLY 9 1HA GLY 9 20.474 -4.066 1.304 37 HA3 GLY 9 2HA GLY 9 20.389 -3.772 -0.426 38 H GLU 10 H GLU 10 18.831 -3.397 2.543 39 HA GLU 10 HA GLU 10 16.129 -3.337 1.773 40 HB2 GLU 10 1HB GLU 10 17.647 -1.986 3.995 41 HB3 GLU 10 2HB GLU 10 15.917 -1.757 3.783 42 HG2 GLU 10 1HG GLU 10 15.453 -4.013 4.227 43 HG3 GLU 10 2HG GLU 10 17.141 -4.482 4.033 44 H ARG 11 H ARG 11 14.864 -1.816 0.850 45 HA ARG 11 HA ARG 11 15.933 0.128 -0.811 46 HB2 ARG 11 1HB ARG 11 13.175 -0.120 0.391 47 HB3 ARG 11 2HB ARG 11 13.588 1.081 -0.826 48 HG2 ARG 11 1HG ARG 11 13.828 -1.899 -1.186 49 HG3 ARG 11 2HG ARG 11 12.495 -0.903 -1.775 50 HD2 ARG 11 1HD ARG 11 14.105 0.397 -3.120 51 HD3 ARG 11 2HD ARG 11 15.395 -0.673 -2.572 52 HE ARG 11 HE ARG 11 14.641 -2.289 -4.024 53 HH11 ARG 11 1HH1 ARG 11 12.294 0.271 -3.790 54 HH12 ARG 11 2HH1 ARG 11 11.341 -0.304 -5.117 55 HH21 ARG 11 1HH2 ARG 11 13.395 -3.057 -5.773 56 HH22 ARG 11 2HH2 ARG 11 11.967 -2.198 -6.244 57 HA PRO 12 HA PRO 12 16.871 3.616 1.682 58 HB2 PRO 12 1HB PRO 12 16.239 5.656 0.005 59 HB3 PRO 12 2HB PRO 12 17.655 4.624 -0.229 60 HG2 PRO 12 1HG PRO 12 14.974 4.492 -1.555 61 HG3 PRO 12 2HG PRO 12 16.587 4.316 -2.272 62 HD2 PRO 12 1HD PRO 12 15.015 2.191 -1.683 63 HD3 PRO 12 2HD PRO 12 16.787 2.122 -1.594 64 H PHE 13 H PHE 13 13.669 3.337 0.310 65 HA PHE 13 HA PHE 13 12.612 4.862 2.587 66 HB2 PHE 13 1HB PHE 13 11.752 5.114 -0.300 67 HB3 PHE 13 2HB PHE 13 10.837 5.765 1.056 68 HD1 PHE 13 HD1 PHE 13 13.912 6.068 -0.919 69 HD2 PHE 13 HD2 PHE 13 11.556 7.735 2.210 70 HE1 PHE 13 HE1 PHE 13 15.257 8.127 -1.008 71 HE2 PHE 13 HE2 PHE 13 12.896 9.796 2.125 72 HZ PHE 13 HZ PHE 13 14.749 9.995 0.515 73 H LYS 14 H LYS 14 10.303 4.397 3.016 74 HA LYS 14 HA LYS 14 9.212 1.960 1.909 75 HB2 LYS 14 1HB LYS 14 10.638 0.956 3.544 76 HB3 LYS 14 2HB LYS 14 10.155 2.120 4.771 77 HG2 LYS 14 1HG LYS 14 7.937 1.174 4.855 78 HG3 LYS 14 2HG LYS 14 8.329 0.069 3.536 79 HD2 LYS 14 1HD LYS 14 10.088 0.029 5.925 80 HD3 LYS 14 2HD LYS 14 8.470 -0.655 6.095 81 HE2 LYS 14 1HE LYS 14 8.905 -2.095 4.143 82 HE3 LYS 14 2HE LYS 14 10.538 -1.439 4.042 83 HZ1 LYS 14 3HZ LYS 14 9.656 -2.618 6.577 84 HZ2 LYS 14 1HZ LYS 14 11.205 -2.557 5.898 85 HZ3 LYS 14 2HZ LYS 14 10.065 -3.656 5.306 86 H CYS 15 H CYS 15 7.050 1.468 2.833 87 HA CYS 15 HA CYS 15 5.689 3.971 3.549 88 HB2 CYS 15 1HB CYS 15 4.909 2.942 1.479 89 HB3 CYS 15 2HB CYS 15 4.600 1.429 2.324 90 H ASN 16 H ASN 16 4.841 4.211 5.508 91 HA ASN 16 HA ASN 16 5.004 2.066 7.421 92 HB2 ASN 16 1HB ASN 16 5.357 4.663 7.744 93 HB3 ASN 16 2HB ASN 16 3.618 4.648 8.023 94 HD21 ASN 16 1HD2 ASN 16 6.679 4.082 9.340 95 HD22 ASN 16 2HD2 ASN 16 6.174 3.434 10.860 96 H GLU 17 H GLU 17 2.653 3.222 5.258 97 HA GLU 17 HA GLU 17 0.310 2.583 6.737 98 HB2 GLU 17 1HB GLU 17 0.543 2.614 3.731 99 HB3 GLU 17 2HB GLU 17 -0.886 2.925 4.707 100 HG2 GLU 17 1HG GLU 17 1.548 4.680 4.797 101 HG3 GLU 17 2HG GLU 17 0.228 4.930 3.654 102 H CYS 18 H CYS 18 1.874 0.908 4.000 103 HA CYS 18 HA CYS 18 0.659 -1.597 4.969 104 HB2 CYS 18 1HB CYS 18 0.764 -2.406 2.654 105 HB3 CYS 18 2HB CYS 18 -0.181 -0.924 2.766 106 H GLY 19 H GLY 19 3.533 -0.245 3.369 107 HA2 GLY 19 1HA GLY 19 5.647 -0.939 4.590 108 HA3 GLY 19 2HA GLY 19 5.059 -2.577 4.343 109 H LYS 20 H LYS 20 4.390 -0.390 1.806 110 HA LYS 20 HA LYS 20 6.015 -1.872 -0.020 111 HB2 LYS 20 1HB LYS 20 3.744 -0.547 -0.363 112 HB3 LYS 20 2HB LYS 20 4.840 0.767 -0.767 113 HG2 LYS 20 1HG LYS 20 4.513 -1.877 -2.145 114 HG3 LYS 20 2HG LYS 20 4.297 -0.254 -2.806 115 HD2 LYS 20 1HD LYS 20 6.804 0.050 -2.231 116 HD3 LYS 20 2HD LYS 20 6.833 -1.714 -2.162 117 HE2 LYS 20 1HE LYS 20 6.413 -1.941 -4.411 118 HE3 LYS 20 2HE LYS 20 5.600 -0.381 -4.526 119 HZ1 LYS 20 3HZ LYS 20 8.523 -0.766 -4.163 120 HZ2 LYS 20 1HZ LYS 20 7.728 0.720 -4.324 121 HZ3 LYS 20 2HZ LYS 20 7.763 -0.366 -5.621 122 H GLY 21 H GLY 21 8.026 -1.472 -0.706 123 HA2 GLY 21 1HA GLY 21 9.254 1.088 0.112 124 HA3 GLY 21 2HA GLY 21 10.126 -0.435 0.027 125 H PHE 22 H PHE 22 10.391 2.280 -1.334 126 HA PHE 22 HA PHE 22 10.566 1.232 -4.081 127 HB2 PHE 22 1HB PHE 22 9.980 4.088 -3.272 128 HB3 PHE 22 2HB PHE 22 10.114 3.486 -4.921 129 HD1 PHE 22 HD2 PHE 22 8.206 2.797 -1.790 130 HD2 PHE 22 HD1 PHE 22 8.180 2.976 -6.043 131 HE1 PHE 22 HE2 PHE 22 5.800 2.286 -1.793 132 HE2 PHE 22 HE1 PHE 22 5.773 2.465 -6.053 133 HZ PHE 22 HZ PHE 22 4.580 2.118 -3.926 134 H GLY 23 H GLY 23 12.130 2.689 -5.417 135 HA2 GLY 23 1HA GLY 23 14.658 2.649 -3.984 136 HA3 GLY 23 2HA GLY 23 14.440 2.873 -5.714 137 H ARG 24 H ARG 24 12.767 5.026 -5.839 138 HA ARG 24 HA ARG 24 14.503 7.149 -4.805 139 HB2 ARG 24 1HB ARG 24 12.355 7.316 -6.925 140 HB3 ARG 24 2HB ARG 24 13.516 8.570 -6.510 141 HG2 ARG 24 1HG ARG 24 15.337 7.047 -7.234 142 HG3 ARG 24 2HG ARG 24 14.106 5.904 -7.774 143 HD2 ARG 24 1HD ARG 24 13.278 7.448 -9.392 144 HD3 ARG 24 2HD ARG 24 14.267 8.753 -8.737 145 HE ARG 24 HE ARG 24 15.094 6.708 -10.574 146 HH11 ARG 24 1HH1 ARG 24 16.155 8.938 -8.120 147 HH12 ARG 24 2HH1 ARG 24 17.784 9.012 -8.707 148 HH21 ARG 24 1HH2 ARG 24 17.235 6.797 -11.356 149 HH22 ARG 24 2HH2 ARG 24 18.397 7.794 -10.548 150 H ARG 25 H ARG 25 13.560 9.092 -3.934 151 HA ARG 25 HA ARG 25 11.601 8.592 -1.975 152 HB2 ARG 25 1HB ARG 25 13.469 10.444 -2.165 153 HB3 ARG 25 2HB ARG 25 12.171 11.378 -2.897 154 HG2 ARG 25 1HG ARG 25 11.860 10.038 -0.231 155 HG3 ARG 25 2HG ARG 25 12.545 11.655 -0.402 156 HD2 ARG 25 1HD ARG 25 9.925 10.999 -1.682 157 HD3 ARG 25 2HD ARG 25 9.994 11.357 0.043 158 HE ARG 25 HE ARG 25 10.326 13.214 -2.133 159 HH11 ARG 25 1HH1 ARG 25 10.958 12.577 1.231 160 HH12 ARG 25 2HH1 ARG 25 11.129 14.249 1.650 161 HH21 ARG 25 1HH2 ARG 25 10.548 15.419 -1.593 162 HH22 ARG 25 2HH2 ARG 25 10.895 15.865 0.043 163 H SER 26 H SER 26 11.392 10.838 -4.743 164 HA SER 26 HA SER 26 8.701 11.409 -4.580 165 HB2 SER 26 1HB SER 26 8.860 12.284 -6.749 166 HB3 SER 26 2HB SER 26 10.519 12.369 -6.160 167 HG SER 26 HG SER 26 11.102 10.904 -7.570 168 H HIS 27 H HIS 27 10.264 8.556 -5.829 169 HA HIS 27 HA HIS 27 8.123 7.492 -7.312 170 HB2 HIS 27 1HB HIS 27 10.563 6.332 -6.018 171 HB3 HIS 27 2HB HIS 27 9.332 5.252 -6.666 172 HD1 HIS 27 HD1 HIS 27 11.014 4.430 -8.474 173 HD2 HIS 27 HD2 HIS 27 10.091 8.475 -8.691 174 HE1 HIS 27 HE1 HIS 27 11.849 5.191 -10.721 175 H LEU 28 H LEU 28 8.963 7.290 -3.896 176 HA LEU 28 HA LEU 28 6.797 5.461 -3.321 177 HB2 LEU 28 1HB LEU 28 8.586 5.070 -1.924 178 HB3 LEU 28 2HB LEU 28 8.954 6.784 -1.745 179 HG LEU 28 HG LEU 28 6.781 6.905 -0.380 180 HD11 LEU 28 1HD1 LEU 28 6.624 4.234 -1.165 181 HD12 LEU 28 2HD1 LEU 28 5.618 5.059 0.024 182 HD13 LEU 28 3HD1 LEU 28 7.063 4.192 0.543 183 HD21 LEU 28 3HD2 LEU 28 8.856 5.233 0.965 184 HD22 LEU 28 1HD2 LEU 28 7.984 6.643 1.566 185 HD23 LEU 28 2HD2 LEU 28 9.275 6.844 0.381 186 H ALA 29 H ALA 29 7.577 8.859 -2.644 187 HA ALA 29 HA ALA 29 5.582 9.711 -1.066 188 HB1 ALA 29 3HB ALA 29 7.344 10.948 -2.782 189 HB2 ALA 29 1HB ALA 29 5.766 11.463 -3.381 190 HB3 ALA 29 2HB ALA 29 6.211 11.756 -1.699 191 H GLY 30 H GLY 30 5.236 8.962 -4.512 192 HA2 GLY 30 1HA GLY 30 2.517 9.773 -4.701 193 HA3 GLY 30 2HA GLY 30 3.371 8.745 -5.841 194 H HIS 31 H HIS 31 4.077 6.718 -3.916 195 HA HIS 31 HA HIS 31 1.873 5.023 -4.152 196 HB2 HIS 31 1HB HIS 31 4.066 4.091 -3.857 197 HB3 HIS 31 2HB HIS 31 4.261 4.900 -2.305 198 HD1 HIS 31 HD1 HIS 31 2.331 2.082 -3.913 199 HD2 HIS 31 HD2 HIS 31 3.299 3.516 -0.135 200 HE1 HIS 31 HE1 HIS 31 1.567 0.307 -2.304 201 H LEU 32 H LEU 32 2.554 7.469 -1.846 202 HA LEU 32 HA LEU 32 0.668 6.408 0.107 203 HB2 LEU 32 1HB LEU 32 2.287 8.950 0.141 204 HB3 LEU 32 2HB LEU 32 1.321 8.323 1.475 205 HG LEU 32 HG LEU 32 3.357 7.609 2.165 206 HD11 LEU 32 1HD1 LEU 32 3.669 5.296 1.712 207 HD12 LEU 32 2HD1 LEU 32 2.845 5.425 0.158 208 HD13 LEU 32 3HD1 LEU 32 1.934 5.610 1.657 209 HD21 LEU 32 3HD2 LEU 32 5.215 7.826 0.951 210 HD22 LEU 32 1HD2 LEU 32 4.174 8.456 -0.326 211 HD23 LEU 32 2HD2 LEU 32 4.616 6.749 -0.312 212 H ARG 33 H ARG 33 0.857 8.770 -2.421 213 HA ARG 33 HA ARG 33 -1.214 10.494 -1.688 214 HB2 ARG 33 1HB ARG 33 -0.266 9.626 -4.422 215 HB3 ARG 33 2HB ARG 33 -1.420 10.926 -4.155 216 HG2 ARG 33 1HG ARG 33 0.314 12.066 -2.760 217 HG3 ARG 33 2HG ARG 33 1.456 10.827 -3.286 218 HD2 ARG 33 1HD ARG 33 -0.006 12.825 -5.002 219 HD3 ARG 33 2HD ARG 33 1.728 12.744 -4.693 220 HE ARG 33 HE ARG 33 0.993 10.323 -5.828 221 HH11 ARG 33 1HH1 ARG 33 1.036 13.689 -6.715 222 HH12 ARG 33 2HH1 ARG 33 1.257 13.375 -8.405 223 HH21 ARG 33 1HH2 ARG 33 1.283 9.897 -8.050 224 HH22 ARG 33 2HH2 ARG 33 1.396 11.218 -9.163 225 H LEU 34 H LEU 34 -1.280 7.304 -3.116 226 HA LEU 34 HA LEU 34 -4.061 7.399 -3.822 227 HB2 LEU 34 1HB LEU 34 -3.815 5.048 -4.337 228 HB3 LEU 34 2HB LEU 34 -2.483 5.975 -5.024 229 HG LEU 34 HG LEU 34 -1.227 5.223 -2.856 230 HD11 LEU 34 1HD1 LEU 34 -2.161 2.708 -2.601 231 HD12 LEU 34 2HD1 LEU 34 -3.671 3.584 -2.845 232 HD13 LEU 34 3HD1 LEU 34 -2.594 4.034 -1.523 233 HD21 LEU 34 3HD2 LEU 34 -0.302 4.522 -4.848 234 HD22 LEU 34 1HD2 LEU 34 -1.769 3.688 -5.360 235 HD23 LEU 34 2HD2 LEU 34 -0.749 2.985 -4.105 236 H HIS 35 H HIS 35 -2.185 6.396 -1.054 237 HA HIS 35 HA HIS 35 -4.089 4.812 0.254 238 HB2 HIS 35 1HB HIS 35 -1.677 6.344 1.083 239 HB3 HIS 35 2HB HIS 35 -2.791 5.845 2.351 240 HD1 HIS 35 HD1 HIS 35 -3.408 3.121 2.144 241 HD2 HIS 35 HD2 HIS 35 0.187 4.468 0.557 242 HE1 HIS 35 HE1 HIS 35 -1.953 1.079 1.947 243 H SER 36 H SER 36 -3.743 8.276 -0.007 244 HA SER 36 HA SER 36 -5.474 8.982 2.123 245 HB2 SER 36 1HB SER 36 -5.358 11.199 1.289 246 HB3 SER 36 2HB SER 36 -3.791 10.483 0.916 247 HG SER 36 HG SER 36 -5.759 11.377 -0.769 248 H ARG 37 H ARG 37 -5.997 8.007 -1.170 249 HA ARG 37 HA ARG 37 -8.561 9.027 -1.605 250 HB2 ARG 37 1HB ARG 37 -7.351 8.092 -3.442 251 HB3 ARG 37 2HB ARG 37 -7.207 6.536 -2.635 252 HG2 ARG 37 1HG ARG 37 -9.851 6.665 -2.720 253 HG3 ARG 37 2HG ARG 37 -9.500 7.716 -4.094 254 HD2 ARG 37 1HD ARG 37 -8.512 6.023 -5.307 255 HD3 ARG 37 2HD ARG 37 -8.103 5.090 -3.868 256 HE ARG 37 HE ARG 37 -10.201 4.131 -3.916 257 HH11 ARG 37 1HH1 ARG 37 -10.021 6.741 -6.213 258 HH12 ARG 37 2HH1 ARG 37 -11.515 6.335 -6.989 259 HH21 ARG 37 1HH2 ARG 37 -12.170 3.586 -4.930 260 HH22 ARG 37 2HH2 ARG 37 -12.738 4.540 -6.258 261 H GLU 38 H GLU 38 -7.469 6.255 0.220 262 HA GLU 38 HA GLU 38 -10.236 5.407 0.683 263 HB2 GLU 38 1HB GLU 38 -7.569 4.090 1.103 264 HB3 GLU 38 2HB GLU 38 -9.007 3.487 1.914 265 HG2 GLU 38 1HG GLU 38 -8.999 3.892 -1.045 266 HG3 GLU 38 2HG GLU 38 -8.283 2.447 -0.334 267 H LYS 39 H LYS 39 -9.620 7.818 1.836 268 HA LYS 39 HA LYS 39 -9.250 7.168 4.685 269 HB2 LYS 39 1HB LYS 39 -7.751 8.894 3.363 270 HB3 LYS 39 2HB LYS 39 -9.109 9.972 3.659 271 HG2 LYS 39 1HG LYS 39 -7.641 10.369 5.426 272 HG3 LYS 39 2HG LYS 39 -8.880 9.314 6.111 273 HD2 LYS 39 1HD LYS 39 -7.451 7.419 5.995 274 HD3 LYS 39 2HD LYS 39 -6.275 8.285 5.003 275 HE2 LYS 39 1HE LYS 39 -5.318 8.297 7.127 276 HE3 LYS 39 2HE LYS 39 -6.075 9.885 7.004 277 HZ1 LYS 39 3HZ LYS 39 -6.958 7.538 8.559 278 HZ2 LYS 39 1HZ LYS 39 -8.055 8.753 8.131 279 HZ3 LYS 39 2HZ LYS 39 -6.709 9.127 9.084 280 H SER 40 H SER 40 -10.549 8.412 6.222 281 HA SER 40 HA SER 40 -13.184 9.124 5.109 282 HB2 SER 40 1HB SER 40 -12.479 7.622 7.627 283 HB3 SER 40 2HB SER 40 -14.054 8.382 7.405 284 HG SER 40 HG SER 40 -12.904 6.468 5.651 285 H SER 41 H SER 41 -14.019 11.050 5.653 286 HA SER 41 HA SER 41 -12.495 12.687 7.565 287 HB2 SER 41 1HB SER 41 -13.476 14.639 6.371 288 HB3 SER 41 2HB SER 41 -12.498 13.615 5.319 289 HG SER 41 HG SER 41 -14.248 13.719 4.128 290 H GLY 42 H GLY 42 -13.416 12.974 9.478 291 HA2 GLY 42 1HA GLY 42 -16.359 13.179 9.594 292 HA3 GLY 42 2HA GLY 42 -15.466 12.212 10.759 293 HA PRO 43 HA PRO 43 -15.654 16.933 11.781 294 HB2 PRO 43 1HB PRO 43 -18.085 17.173 12.965 295 HB3 PRO 43 2HB PRO 43 -17.821 17.473 11.243 296 HG2 PRO 43 1HG PRO 43 -18.904 15.032 12.597 297 HG3 PRO 43 2HG PRO 43 -19.470 15.837 11.123 298 HD2 PRO 43 1HD PRO 43 -17.938 13.605 11.067 299 HD3 PRO 43 2HD PRO 43 -17.845 14.859 9.814 300 H SER 44 H SER 44 -16.337 17.791 14.121 301 HA SER 44 HA SER 44 -14.740 16.563 15.982 302 HB2 SER 44 1HB SER 44 -17.101 18.400 16.264 303 HB3 SER 44 2HB SER 44 -16.287 17.769 17.696 304 HG SER 44 HG SER 44 -15.490 19.707 15.951 305 H SER 45 H SER 45 -14.840 14.708 17.044 306 HA SER 45 HA SER 45 -17.467 13.590 17.731 307 HB2 SER 45 1HB SER 45 -15.178 12.074 16.456 308 HB3 SER 45 2HB SER 45 -16.617 11.319 17.139 309 HG SER 45 HG SER 45 -16.330 12.202 14.708 310 H GLY 46 H GLY 46 -17.238 11.762 19.349 311 HA2 GLY 46 1HA GLY 46 -15.681 12.716 21.556 312 HA3 GLY 46 2HA GLY 46 -16.703 11.287 21.543 Start of MODEL 4 1 H1 GLY 1 H GLY 1 10.532 -19.311 8.177 2 HA2 GLY 1 1HA GLY 1 13.413 -19.237 7.517 3 HA3 GLY 1 2HA GLY 1 12.154 -18.934 6.328 4 H SER 2 H SER 2 13.840 -17.665 9.118 5 HA SER 2 HA SER 2 13.394 -14.973 8.219 6 HB2 SER 2 1HB SER 2 12.286 -14.158 10.236 7 HB3 SER 2 2HB SER 2 11.304 -15.409 9.475 8 HG SER 2 HG SER 2 12.980 -16.565 11.195 9 H SER 3 H SER 3 14.326 -13.405 9.987 10 HA SER 3 HA SER 3 16.219 -12.674 11.020 11 HB2 SER 3 1HB SER 3 15.901 -15.413 12.240 12 HB3 SER 3 2HB SER 3 17.198 -14.322 12.727 13 HG SER 3 HG SER 3 14.408 -13.982 12.994 14 H GLY 4 H GLY 4 16.608 -13.581 8.423 15 HA2 GLY 4 1HA GLY 4 19.344 -14.672 8.624 16 HA3 GLY 4 2HA GLY 4 18.226 -15.234 7.390 17 H SER 5 H SER 5 20.441 -14.412 6.346 18 HA SER 5 HA SER 5 20.000 -11.618 5.517 19 HB2 SER 5 1HB SER 5 22.592 -13.182 5.461 20 HB3 SER 5 2HB SER 5 22.388 -11.487 5.021 21 HG SER 5 HG SER 5 21.938 -12.619 7.587 22 H SER 6 H SER 6 18.484 -12.333 3.920 23 HA SER 6 HA SER 6 19.716 -13.723 1.634 24 HB2 SER 6 1HB SER 6 16.770 -13.444 2.276 25 HB3 SER 6 2HB SER 6 17.470 -14.384 0.959 26 HG SER 6 HG SER 6 17.590 -14.868 3.737 27 H GLY 7 H GLY 7 20.661 -11.782 0.838 28 HA2 GLY 7 1HA GLY 7 19.621 -10.529 -1.252 29 HA3 GLY 7 2HA GLY 7 18.854 -9.630 0.049 30 H SER 8 H SER 8 19.902 -7.721 -0.648 31 HA SER 8 HA SER 8 22.785 -7.649 -0.038 32 HB2 SER 8 1HB SER 8 22.892 -5.684 -1.577 33 HB3 SER 8 2HB SER 8 22.424 -7.179 -2.386 34 HG SER 8 HG SER 8 21.129 -5.287 -2.911 35 H GLY 9 H GLY 9 19.752 -5.812 0.109 36 HA2 GLY 9 1HA GLY 9 20.346 -4.824 2.718 37 HA3 GLY 9 2HA GLY 9 20.593 -3.581 1.500 38 H GLU 10 H GLU 10 18.919 -2.274 2.198 39 HA GLU 10 HA GLU 10 16.242 -3.272 1.532 40 HB2 GLU 10 1HB GLU 10 17.099 -1.952 4.092 41 HB3 GLU 10 2HB GLU 10 15.441 -1.819 3.522 42 HG2 GLU 10 1HG GLU 10 15.120 -4.169 3.651 43 HG3 GLU 10 2HG GLU 10 16.836 -4.447 3.943 44 H ARG 11 H ARG 11 14.906 -1.807 0.556 45 HA ARG 11 HA ARG 11 15.859 0.203 -0.989 46 HB2 ARG 11 1HB ARG 11 13.151 -0.091 0.298 47 HB3 ARG 11 2HB ARG 11 13.506 1.196 -0.846 48 HG2 ARG 11 1HG ARG 11 13.927 -1.702 -1.504 49 HG3 ARG 11 2HG ARG 11 12.390 -0.877 -1.768 50 HD2 ARG 11 1HD ARG 11 13.338 -0.543 -3.812 51 HD3 ARG 11 2HD ARG 11 13.962 0.878 -2.975 52 HE ARG 11 HE ARG 11 16.078 -0.048 -3.016 53 HH11 ARG 11 1HH1 ARG 11 13.721 -2.369 -4.100 54 HH12 ARG 11 2HH1 ARG 11 14.902 -3.482 -4.704 55 HH21 ARG 11 1HH2 ARG 11 17.644 -1.506 -3.808 56 HH22 ARG 11 2HH2 ARG 11 17.134 -2.991 -4.537 57 HA PRO 12 HA PRO 12 16.913 3.682 1.469 58 HB2 PRO 12 1HB PRO 12 16.196 5.734 -0.157 59 HB3 PRO 12 2HB PRO 12 17.597 4.704 -0.471 60 HG2 PRO 12 1HG PRO 12 14.852 4.581 -1.659 61 HG3 PRO 12 2HG PRO 12 16.425 4.412 -2.459 62 HD2 PRO 12 1HD PRO 12 14.886 2.282 -1.806 63 HD3 PRO 12 2HD PRO 12 16.660 2.212 -1.809 64 H PHE 13 H PHE 13 13.645 3.403 0.271 65 HA PHE 13 HA PHE 13 12.707 4.908 2.611 66 HB2 PHE 13 1HB PHE 13 11.762 5.222 -0.239 67 HB3 PHE 13 2HB PHE 13 10.834 5.789 1.146 68 HD1 PHE 13 HD1 PHE 13 14.107 6.139 -0.561 69 HD2 PHE 13 HD2 PHE 13 11.270 7.871 2.097 70 HE1 PHE 13 HE1 PHE 13 15.380 8.244 -0.579 71 HE2 PHE 13 HE2 PHE 13 12.538 9.979 2.083 72 HZ PHE 13 HZ PHE 13 14.596 10.168 0.743 73 H LYS 14 H LYS 14 10.342 4.490 3.036 74 HA LYS 14 HA LYS 14 9.256 2.023 2.002 75 HB2 LYS 14 1HB LYS 14 10.687 1.040 3.634 76 HB3 LYS 14 2HB LYS 14 10.248 2.241 4.842 77 HG2 LYS 14 1HG LYS 14 9.138 0.248 5.436 78 HG3 LYS 14 2HG LYS 14 7.911 1.318 4.755 79 HD2 LYS 14 1HD LYS 14 7.405 -0.643 3.674 80 HD3 LYS 14 2HD LYS 14 8.533 0.076 2.522 81 HE2 LYS 14 1HE LYS 14 9.133 -2.219 2.812 82 HE3 LYS 14 2HE LYS 14 10.359 -1.232 3.606 83 HZ1 LYS 14 3HZ LYS 14 9.130 -1.631 5.719 84 HZ2 LYS 14 1HZ LYS 14 9.825 -3.020 5.046 85 HZ3 LYS 14 2HZ LYS 14 8.163 -2.749 4.897 86 H CYS 15 H CYS 15 7.064 1.698 2.569 87 HA CYS 15 HA CYS 15 5.711 4.159 3.323 88 HB2 CYS 15 1HB CYS 15 4.874 3.040 1.357 89 HB3 CYS 15 2HB CYS 15 4.688 1.529 2.240 90 H ASN 16 H ASN 16 4.918 4.537 5.281 91 HA ASN 16 HA ASN 16 5.019 2.453 7.292 92 HB2 ASN 16 1HB ASN 16 4.732 5.415 7.291 93 HB3 ASN 16 2HB ASN 16 4.048 4.540 8.658 94 HD21 ASN 16 1HD2 ASN 16 5.832 6.062 9.535 95 HD22 ASN 16 2HD2 ASN 16 7.373 5.317 9.770 96 H GLU 17 H GLU 17 3.016 2.361 5.107 97 HA GLU 17 HA GLU 17 0.567 2.429 6.746 98 HB2 GLU 17 1HB GLU 17 0.604 2.465 3.736 99 HB3 GLU 17 2HB GLU 17 -0.714 2.895 4.817 100 HG2 GLU 17 1HG GLU 17 1.840 4.457 4.775 101 HG3 GLU 17 2HG GLU 17 0.542 4.776 3.626 102 H CYS 18 H CYS 18 2.000 0.727 3.957 103 HA CYS 18 HA CYS 18 0.681 -1.733 4.904 104 HB2 CYS 18 1HB CYS 18 0.839 -2.518 2.546 105 HB3 CYS 18 2HB CYS 18 -0.169 -1.087 2.735 106 H GLY 19 H GLY 19 3.626 -0.442 3.403 107 HA2 GLY 19 1HA GLY 19 5.709 -1.239 4.558 108 HA3 GLY 19 2HA GLY 19 5.047 -2.854 4.351 109 H LYS 20 H LYS 20 4.804 -0.339 1.924 110 HA LYS 20 HA LYS 20 6.304 -2.034 0.082 111 HB2 LYS 20 1HB LYS 20 4.158 -1.231 -0.703 112 HB3 LYS 20 2HB LYS 20 4.617 0.434 -0.369 113 HG2 LYS 20 1HG LYS 20 4.793 0.095 -2.711 114 HG3 LYS 20 2HG LYS 20 6.433 0.189 -2.067 115 HD2 LYS 20 1HD LYS 20 6.480 -1.620 -3.561 116 HD3 LYS 20 2HD LYS 20 6.352 -2.363 -1.965 117 HE2 LYS 20 1HE LYS 20 3.922 -2.582 -2.288 118 HE3 LYS 20 2HE LYS 20 4.086 -1.887 -3.900 119 HZ1 LYS 20 3HZ LYS 20 4.017 -4.227 -4.138 120 HZ2 LYS 20 1HZ LYS 20 5.181 -4.467 -2.932 121 HZ3 LYS 20 2HZ LYS 20 5.623 -3.767 -4.408 122 H GLY 21 H GLY 21 8.168 -1.422 -0.958 123 HA2 GLY 21 1HA GLY 21 9.399 1.090 -0.001 124 HA3 GLY 21 2HA GLY 21 10.308 -0.396 -0.232 125 H PHE 22 H PHE 22 10.775 2.216 -1.418 126 HA PHE 22 HA PHE 22 10.696 1.390 -4.231 127 HB2 PHE 22 1HB PHE 22 10.052 4.181 -3.257 128 HB3 PHE 22 2HB PHE 22 10.133 3.665 -4.938 129 HD1 PHE 22 HD2 PHE 22 8.350 2.916 -1.758 130 HD2 PHE 22 HD1 PHE 22 8.209 2.984 -6.011 131 HE1 PHE 22 HE2 PHE 22 5.964 2.320 -1.684 132 HE2 PHE 22 HE1 PHE 22 5.822 2.389 -5.945 133 HZ PHE 22 HZ PHE 22 4.697 2.055 -3.779 134 H GLY 23 H GLY 23 12.316 2.441 -5.572 135 HA2 GLY 23 1HA GLY 23 14.824 2.649 -4.195 136 HA3 GLY 23 2HA GLY 23 14.566 2.823 -5.925 137 H ARG 24 H ARG 24 12.667 4.935 -5.809 138 HA ARG 24 HA ARG 24 14.448 7.125 -4.982 139 HB2 ARG 24 1HB ARG 24 12.261 7.056 -7.068 140 HB3 ARG 24 2HB ARG 24 13.165 8.496 -6.622 141 HG2 ARG 24 1HG ARG 24 15.168 7.643 -7.513 142 HG3 ARG 24 2HG ARG 24 14.508 6.011 -7.634 143 HD2 ARG 24 1HD ARG 24 14.548 6.955 -9.829 144 HD3 ARG 24 2HD ARG 24 12.868 6.875 -9.301 145 HE ARG 24 HE ARG 24 13.525 9.368 -8.607 146 HH11 ARG 24 1HH1 ARG 24 14.050 7.592 -11.555 147 HH12 ARG 24 2HH1 ARG 24 13.991 8.997 -12.566 148 HH21 ARG 24 1HH2 ARG 24 13.445 11.226 -9.928 149 HH22 ARG 24 2HH2 ARG 24 13.647 11.064 -11.640 150 H ARG 25 H ARG 25 13.635 8.898 -3.856 151 HA ARG 25 HA ARG 25 11.697 8.384 -1.915 152 HB2 ARG 25 1HB ARG 25 13.084 10.071 -1.238 153 HB3 ARG 25 2HB ARG 25 13.180 10.782 -2.843 154 HG2 ARG 25 1HG ARG 25 12.030 12.216 -1.195 155 HG3 ARG 25 2HG ARG 25 11.023 11.801 -2.584 156 HD2 ARG 25 1HD ARG 25 9.643 10.450 -1.352 157 HD3 ARG 25 2HD ARG 25 10.897 10.061 -0.175 158 HE ARG 25 HE ARG 25 9.976 12.804 -0.147 159 HH11 ARG 25 1HH1 ARG 25 9.631 9.597 1.161 160 HH12 ARG 25 2HH1 ARG 25 8.870 10.133 2.622 161 HH21 ARG 25 1HH2 ARG 25 8.976 13.523 1.773 162 HH22 ARG 25 2HH2 ARG 25 8.498 12.367 2.969 163 H SER 26 H SER 26 11.443 10.705 -4.616 164 HA SER 26 HA SER 26 8.767 11.325 -4.341 165 HB2 SER 26 1HB SER 26 9.920 12.664 -5.867 166 HB3 SER 26 2HB SER 26 10.614 11.278 -6.709 167 HG SER 26 HG SER 26 8.659 10.892 -7.672 168 H HIS 27 H HIS 27 10.250 8.541 -5.873 169 HA HIS 27 HA HIS 27 8.054 7.546 -7.278 170 HB2 HIS 27 1HB HIS 27 10.548 6.378 -6.155 171 HB3 HIS 27 2HB HIS 27 9.269 5.257 -6.611 172 HD1 HIS 27 HD1 HIS 27 10.933 4.404 -8.484 173 HD2 HIS 27 HD2 HIS 27 9.600 8.314 -8.929 174 HE1 HIS 27 HE1 HIS 27 11.476 5.033 -10.857 175 H LEU 28 H LEU 28 8.879 7.354 -3.879 176 HA LEU 28 HA LEU 28 6.766 5.464 -3.299 177 HB2 LEU 28 1HB LEU 28 8.551 5.136 -1.884 178 HB3 LEU 28 2HB LEU 28 8.876 6.861 -1.725 179 HG LEU 28 HG LEU 28 6.683 6.939 -0.380 180 HD11 LEU 28 1HD1 LEU 28 6.530 4.303 -1.143 181 HD12 LEU 28 2HD1 LEU 28 5.617 5.058 0.163 182 HD13 LEU 28 3HD1 LEU 28 7.120 4.205 0.516 183 HD21 LEU 28 3HD2 LEU 28 9.292 6.753 0.332 184 HD22 LEU 28 1HD2 LEU 28 8.609 5.368 1.185 185 HD23 LEU 28 2HD2 LEU 28 7.962 6.985 1.467 186 H ALA 29 H ALA 29 7.459 8.878 -2.586 187 HA ALA 29 HA ALA 29 5.426 9.691 -1.054 188 HB1 ALA 29 3HB ALA 29 6.432 11.036 -3.552 189 HB2 ALA 29 1HB ALA 29 5.352 11.811 -2.393 190 HB3 ALA 29 2HB ALA 29 6.964 11.299 -1.891 191 H GLY 30 H GLY 30 5.124 8.927 -4.502 192 HA2 GLY 30 1HA GLY 30 2.392 9.665 -4.726 193 HA3 GLY 30 2HA GLY 30 3.277 8.631 -5.838 194 H HIS 31 H HIS 31 4.000 6.621 -3.946 195 HA HIS 31 HA HIS 31 1.832 4.895 -4.148 196 HB2 HIS 31 1HB HIS 31 4.027 3.996 -3.817 197 HB3 HIS 31 2HB HIS 31 4.211 4.850 -2.288 198 HD1 HIS 31 HD1 HIS 31 2.345 1.950 -3.817 199 HD2 HIS 31 HD2 HIS 31 3.246 3.524 -0.079 200 HE1 HIS 31 HE1 HIS 31 1.601 0.212 -2.159 201 H LEU 32 H LEU 32 2.446 7.384 -1.867 202 HA LEU 32 HA LEU 32 0.560 6.316 0.082 203 HB2 LEU 32 1HB LEU 32 2.154 8.875 0.075 204 HB3 LEU 32 2HB LEU 32 1.146 8.305 1.403 205 HG LEU 32 HG LEU 32 3.152 7.607 2.185 206 HD11 LEU 32 1HD1 LEU 32 3.618 5.243 1.505 207 HD12 LEU 32 2HD1 LEU 32 2.375 5.421 0.267 208 HD13 LEU 32 3HD1 LEU 32 1.947 5.566 1.971 209 HD21 LEU 32 3HD2 LEU 32 4.157 8.517 -0.097 210 HD22 LEU 32 1HD2 LEU 32 4.347 6.791 -0.405 211 HD23 LEU 32 2HD2 LEU 32 5.101 7.521 1.012 212 H ARG 33 H ARG 33 0.747 8.698 -2.446 213 HA ARG 33 HA ARG 33 -1.328 10.405 -1.806 214 HB2 ARG 33 1HB ARG 33 -0.132 9.454 -4.365 215 HB3 ARG 33 2HB ARG 33 -1.651 10.338 -4.445 216 HG2 ARG 33 1HG ARG 33 -0.506 12.126 -3.049 217 HG3 ARG 33 2HG ARG 33 1.001 11.282 -3.410 218 HD2 ARG 33 1HD ARG 33 0.987 12.758 -5.145 219 HD3 ARG 33 2HD ARG 33 0.069 11.446 -5.883 220 HE ARG 33 HE ARG 33 -1.509 13.444 -4.507 221 HH11 ARG 33 1HH1 ARG 33 -0.131 12.383 -7.522 222 HH12 ARG 33 2HH1 ARG 33 -1.242 13.285 -8.498 223 HH21 ARG 33 1HH2 ARG 33 -2.979 14.636 -5.781 224 HH22 ARG 33 2HH2 ARG 33 -2.861 14.567 -7.507 225 H LEU 34 H LEU 34 -1.452 7.155 -3.127 226 HA LEU 34 HA LEU 34 -4.250 7.213 -3.716 227 HB2 LEU 34 1HB LEU 34 -3.989 4.754 -3.946 228 HB3 LEU 34 2HB LEU 34 -2.876 5.698 -4.934 229 HG LEU 34 HG LEU 34 -1.250 5.282 -2.901 230 HD11 LEU 34 1HD1 LEU 34 -3.405 3.249 -2.568 231 HD12 LEU 34 2HD1 LEU 34 -2.493 4.136 -1.347 232 HD13 LEU 34 3HD1 LEU 34 -1.733 2.807 -2.221 233 HD21 LEU 34 3HD2 LEU 34 -1.145 4.505 -5.342 234 HD22 LEU 34 1HD2 LEU 34 -1.787 2.975 -4.742 235 HD23 LEU 34 2HD2 LEU 34 -0.242 3.579 -4.142 236 H HIS 35 H HIS 35 -2.297 6.341 -0.952 237 HA HIS 35 HA HIS 35 -4.190 4.868 0.499 238 HB2 HIS 35 1HB HIS 35 -1.716 6.381 1.163 239 HB3 HIS 35 2HB HIS 35 -2.798 5.980 2.494 240 HD1 HIS 35 HD1 HIS 35 -3.575 3.218 2.209 241 HD2 HIS 35 HD2 HIS 35 0.171 4.479 0.931 242 HE1 HIS 35 HE1 HIS 35 -2.155 1.144 2.139 243 H SER 36 H SER 36 -3.687 8.327 0.163 244 HA SER 36 HA SER 36 -5.960 8.816 1.965 245 HB2 SER 36 1HB SER 36 -5.111 10.995 2.354 246 HB3 SER 36 2HB SER 36 -3.701 9.937 2.397 247 HG SER 36 HG SER 36 -2.921 11.096 0.844 248 H ARG 37 H ARG 37 -6.457 7.860 -0.627 249 HA ARG 37 HA ARG 37 -6.981 9.912 -2.496 250 HB2 ARG 37 1HB ARG 37 -8.397 8.237 -3.626 251 HB3 ARG 37 2HB ARG 37 -6.824 7.587 -3.185 252 HG2 ARG 37 1HG ARG 37 -8.056 6.745 -1.061 253 HG3 ARG 37 2HG ARG 37 -9.509 6.985 -2.034 254 HD2 ARG 37 1HD ARG 37 -7.182 5.453 -3.127 255 HD3 ARG 37 2HD ARG 37 -8.333 4.673 -2.044 256 HE ARG 37 HE ARG 37 -9.498 6.050 -4.306 257 HH11 ARG 37 1HH1 ARG 37 -8.293 3.046 -3.023 258 HH12 ARG 37 2HH1 ARG 37 -9.169 2.063 -4.149 259 HH21 ARG 37 1HH2 ARG 37 -10.657 4.767 -5.794 260 HH22 ARG 37 2HH2 ARG 37 -10.513 3.043 -5.725 261 H GLU 38 H GLU 38 -9.175 8.155 -0.301 262 HA GLU 38 HA GLU 38 -11.300 10.057 -0.830 263 HB2 GLU 38 1HB GLU 38 -11.570 7.515 -0.477 264 HB3 GLU 38 2HB GLU 38 -11.388 7.873 1.235 265 HG2 GLU 38 1HG GLU 38 -13.696 7.791 0.842 266 HG3 GLU 38 2HG GLU 38 -13.296 9.503 0.968 267 H LYS 39 H LYS 39 -9.406 8.981 1.982 268 HA LYS 39 HA LYS 39 -10.351 10.380 4.042 269 HB2 LYS 39 1HB LYS 39 -8.078 9.091 3.727 270 HB3 LYS 39 2HB LYS 39 -7.425 10.710 3.514 271 HG2 LYS 39 1HG LYS 39 -7.949 11.342 5.691 272 HG3 LYS 39 2HG LYS 39 -9.111 10.029 5.892 273 HD2 LYS 39 1HD LYS 39 -7.045 8.493 5.560 274 HD3 LYS 39 2HD LYS 39 -6.118 9.940 5.962 275 HE2 LYS 39 1HE LYS 39 -7.860 10.031 7.963 276 HE3 LYS 39 2HE LYS 39 -7.924 8.297 7.656 277 HZ1 LYS 39 3HZ LYS 39 -5.326 8.593 7.695 278 HZ2 LYS 39 1HZ LYS 39 -6.209 8.376 9.122 279 HZ3 LYS 39 2HZ LYS 39 -5.714 9.926 8.662 280 H SER 40 H SER 40 -8.274 11.827 1.542 281 HA SER 40 HA SER 40 -8.765 14.484 2.618 282 HB2 SER 40 1HB SER 40 -6.535 13.515 1.574 283 HB3 SER 40 2HB SER 40 -7.279 14.034 0.061 284 HG SER 40 HG SER 40 -7.111 16.083 0.657 285 H SER 41 H SER 41 -9.672 16.193 1.389 286 HA SER 41 HA SER 41 -11.246 17.153 0.057 287 HB2 SER 41 1HB SER 41 -10.400 14.910 -1.788 288 HB3 SER 41 2HB SER 41 -11.494 16.208 -2.264 289 HG SER 41 HG SER 41 -9.137 16.458 -2.705 290 H GLY 42 H GLY 42 -12.128 15.348 2.045 291 HA2 GLY 42 1HA GLY 42 -14.776 14.800 1.020 292 HA3 GLY 42 2HA GLY 42 -13.870 13.363 1.470 293 HA PRO 43 HA PRO 43 -16.171 14.866 5.205 294 HB2 PRO 43 1HB PRO 43 -17.121 12.419 5.896 295 HB3 PRO 43 2HB PRO 43 -17.952 13.485 4.758 296 HG2 PRO 43 1HG PRO 43 -16.168 11.146 4.205 297 HG3 PRO 43 2HG PRO 43 -17.699 11.594 3.430 298 HD2 PRO 43 1HD PRO 43 -15.292 12.109 2.303 299 HD3 PRO 43 2HD PRO 43 -16.699 13.167 2.074 300 H SER 44 H SER 44 -13.944 15.203 5.959 301 HA SER 44 HA SER 44 -13.134 13.061 7.798 302 HB2 SER 44 1HB SER 44 -10.794 13.396 7.285 303 HB3 SER 44 2HB SER 44 -11.654 13.064 5.781 304 HG SER 44 HG SER 44 -10.937 14.901 5.091 305 H SER 45 H SER 45 -12.773 16.480 6.920 306 HA SER 45 HA SER 45 -13.034 17.212 9.721 307 HB2 SER 45 1HB SER 45 -10.541 16.875 9.116 308 HB3 SER 45 2HB SER 45 -10.714 18.362 8.183 309 HG SER 45 HG SER 45 -11.147 19.474 10.028 310 H GLY 46 H GLY 46 -13.777 19.312 10.044 311 HA2 GLY 46 1HA GLY 46 -15.238 20.438 7.867 312 HA3 GLY 46 2HA GLY 46 -15.102 21.110 9.484 Start of MODEL 5 1 H1 GLY 1 H GLY 1 5.068 -6.192 17.143 2 HA2 GLY 1 1HA GLY 1 5.417 -8.224 15.925 3 HA3 GLY 1 2HA GLY 1 3.680 -8.488 15.936 4 H SER 2 H SER 2 6.306 -6.698 14.463 5 HA SER 2 HA SER 2 4.870 -6.556 11.977 6 HB2 SER 2 1HB SER 2 5.583 -3.978 13.398 7 HB3 SER 2 2HB SER 2 4.961 -4.106 11.753 8 HG SER 2 HG SER 2 3.361 -3.644 13.413 9 H SER 3 H SER 3 6.447 -7.397 10.765 10 HA SER 3 HA SER 3 9.214 -6.579 11.184 11 HB2 SER 3 1HB SER 3 9.808 -8.408 9.721 12 HB3 SER 3 2HB SER 3 8.613 -8.992 10.879 13 HG SER 3 HG SER 3 7.077 -8.335 9.068 14 H GLY 4 H GLY 4 10.451 -5.486 9.703 15 HA2 GLY 4 1HA GLY 4 9.281 -4.761 7.128 16 HA3 GLY 4 2HA GLY 4 9.612 -3.444 8.243 17 H SER 5 H SER 5 11.384 -6.388 7.293 18 HA SER 5 HA SER 5 13.475 -4.831 6.061 19 HB2 SER 5 1HB SER 5 14.041 -6.371 8.606 20 HB3 SER 5 2HB SER 5 15.269 -5.663 7.556 21 HG SER 5 HG SER 5 13.817 -4.490 9.487 22 H SER 6 H SER 6 14.337 -5.960 4.441 23 HA SER 6 HA SER 6 14.248 -8.897 4.557 24 HB2 SER 6 1HB SER 6 12.382 -7.897 3.145 25 HB3 SER 6 2HB SER 6 13.639 -7.334 2.044 26 HG SER 6 HG SER 6 13.776 -9.277 1.275 27 H GLY 7 H GLY 7 15.683 -9.909 2.882 28 HA2 GLY 7 1HA GLY 7 18.208 -8.421 2.813 29 HA3 GLY 7 2HA GLY 7 18.027 -10.158 2.615 30 H SER 8 H SER 8 16.001 -10.153 0.656 31 HA SER 8 HA SER 8 17.260 -10.314 -1.690 32 HB2 SER 8 1HB SER 8 14.846 -10.779 -1.375 33 HB3 SER 8 2HB SER 8 14.526 -9.045 -1.396 34 HG SER 8 HG SER 8 15.990 -9.978 -3.536 35 H GLY 9 H GLY 9 15.657 -7.284 -0.682 36 HA2 GLY 9 1HA GLY 9 17.827 -5.734 -1.823 37 HA3 GLY 9 2HA GLY 9 16.291 -5.580 -2.662 38 H GLU 10 H GLU 10 18.150 -4.657 0.071 39 HA GLU 10 HA GLU 10 16.011 -3.590 1.633 40 HB2 GLU 10 1HB GLU 10 19.001 -3.253 1.691 41 HB3 GLU 10 2HB GLU 10 17.952 -2.332 2.759 42 HG2 GLU 10 1HG GLU 10 16.993 -4.634 3.423 43 HG3 GLU 10 2HG GLU 10 18.468 -5.274 2.702 44 H ARG 11 H ARG 11 14.761 -2.098 0.656 45 HA ARG 11 HA ARG 11 15.778 -0.111 -1.120 46 HB2 ARG 11 1HB ARG 11 13.107 -0.463 0.239 47 HB3 ARG 11 2HB ARG 11 13.451 0.864 -0.863 48 HG2 ARG 11 1HG ARG 11 13.744 -2.029 -1.626 49 HG3 ARG 11 2HG ARG 11 12.260 -1.103 -1.863 50 HD2 ARG 11 1HD ARG 11 13.278 0.339 -3.408 51 HD3 ARG 11 2HD ARG 11 14.901 -0.148 -2.922 52 HE ARG 11 HE ARG 11 13.273 -2.243 -4.078 53 HH11 ARG 11 1HH1 ARG 11 15.631 0.259 -4.628 54 HH12 ARG 11 2HH1 ARG 11 16.210 -0.431 -6.108 55 HH21 ARG 11 1HH2 ARG 11 14.026 -3.161 -6.025 56 HH22 ARG 11 2HH2 ARG 11 15.296 -2.376 -6.902 57 HA PRO 12 HA PRO 12 16.943 3.102 1.633 58 HB2 PRO 12 1HB PRO 12 16.225 5.305 0.219 59 HB3 PRO 12 2HB PRO 12 17.604 4.290 -0.219 60 HG2 PRO 12 1HG PRO 12 14.835 4.314 -1.354 61 HG3 PRO 12 2HG PRO 12 16.389 4.199 -2.199 62 HD2 PRO 12 1HD PRO 12 14.831 2.038 -1.714 63 HD3 PRO 12 2HD PRO 12 16.603 1.946 -1.761 64 H PHE 13 H PHE 13 13.760 3.748 0.150 65 HA PHE 13 HA PHE 13 12.871 4.907 2.696 66 HB2 PHE 13 1HB PHE 13 11.772 5.127 -0.109 67 HB3 PHE 13 2HB PHE 13 10.933 5.750 1.309 68 HD1 PHE 13 HD1 PHE 13 14.307 5.916 -0.277 69 HD2 PHE 13 HD2 PHE 13 11.224 7.964 1.825 70 HE1 PHE 13 HE1 PHE 13 15.586 8.011 -0.449 71 HE2 PHE 13 HE2 PHE 13 12.497 10.062 1.655 72 HZ PHE 13 HZ PHE 13 14.680 10.088 0.517 73 H LYS 14 H LYS 14 10.437 4.534 3.102 74 HA LYS 14 HA LYS 14 9.416 1.970 2.261 75 HB2 LYS 14 1HB LYS 14 11.079 1.616 4.223 76 HB3 LYS 14 2HB LYS 14 9.811 2.319 5.219 77 HG2 LYS 14 1HG LYS 14 9.072 0.089 3.407 78 HG3 LYS 14 2HG LYS 14 10.023 -0.287 4.845 79 HD2 LYS 14 1HD LYS 14 7.549 1.398 5.026 80 HD3 LYS 14 2HD LYS 14 7.449 -0.365 5.009 81 HE2 LYS 14 1HE LYS 14 7.616 -0.076 7.251 82 HE3 LYS 14 2HE LYS 14 9.338 -0.069 6.873 83 HZ1 LYS 14 3HZ LYS 14 7.744 2.003 7.969 84 HZ2 LYS 14 1HZ LYS 14 8.483 2.531 6.541 85 HZ3 LYS 14 2HZ LYS 14 9.426 1.923 7.807 86 H CYS 15 H CYS 15 7.218 1.703 2.698 87 HA CYS 15 HA CYS 15 5.836 4.177 3.380 88 HB2 CYS 15 1HB CYS 15 5.080 3.147 1.356 89 HB3 CYS 15 2HB CYS 15 4.906 1.583 2.146 90 H ASN 16 H ASN 16 4.690 4.491 5.193 91 HA ASN 16 HA ASN 16 4.796 2.441 7.245 92 HB2 ASN 16 1HB ASN 16 3.874 5.320 7.290 93 HB3 ASN 16 2HB ASN 16 3.827 4.258 8.694 94 HD21 ASN 16 1HD2 ASN 16 5.822 3.448 9.519 95 HD22 ASN 16 2HD2 ASN 16 7.287 4.331 9.275 96 H GLU 17 H GLU 17 2.564 3.668 4.960 97 HA GLU 17 HA GLU 17 0.134 3.169 6.294 98 HB2 GLU 17 1HB GLU 17 0.585 2.932 3.320 99 HB3 GLU 17 2HB GLU 17 -0.912 3.331 4.149 100 HG2 GLU 17 1HG GLU 17 1.500 5.082 4.394 101 HG3 GLU 17 2HG GLU 17 0.410 5.213 3.016 102 H CYS 18 H CYS 18 1.862 1.180 3.888 103 HA CYS 18 HA CYS 18 0.514 -1.182 5.025 104 HB2 CYS 18 1HB CYS 18 0.556 -2.203 2.812 105 HB3 CYS 18 2HB CYS 18 -0.287 -0.659 2.749 106 H GLY 19 H GLY 19 3.434 -0.008 3.383 107 HA2 GLY 19 1HA GLY 19 5.507 -0.679 4.691 108 HA3 GLY 19 2HA GLY 19 4.893 -2.315 4.504 109 H LYS 20 H LYS 20 4.348 -0.202 1.867 110 HA LYS 20 HA LYS 20 5.823 -1.812 0.074 111 HB2 LYS 20 1HB LYS 20 3.849 -0.460 -0.572 112 HB3 LYS 20 2HB LYS 20 4.796 1.003 -0.335 113 HG2 LYS 20 1HG LYS 20 4.751 0.555 -2.662 114 HG3 LYS 20 2HG LYS 20 6.373 0.163 -2.087 115 HD2 LYS 20 1HD LYS 20 5.911 -1.670 -3.400 116 HD3 LYS 20 2HD LYS 20 5.373 -2.241 -1.819 117 HE2 LYS 20 1HE LYS 20 3.425 -0.840 -3.588 118 HE3 LYS 20 2HE LYS 20 3.857 -2.510 -3.953 119 HZ1 LYS 20 3HZ LYS 20 3.336 -2.870 -1.460 120 HZ2 LYS 20 1HZ LYS 20 2.061 -2.760 -2.566 121 HZ3 LYS 20 2HZ LYS 20 2.460 -1.430 -1.601 122 H GLY 21 H GLY 21 7.611 -1.112 -1.301 123 HA2 GLY 21 1HA GLY 21 9.361 0.889 -0.029 124 HA3 GLY 21 2HA GLY 21 9.980 -0.715 -0.393 125 H PHE 22 H PHE 22 10.602 2.093 -1.382 126 HA PHE 22 HA PHE 22 10.626 1.380 -4.229 127 HB2 PHE 22 1HB PHE 22 9.996 4.141 -3.162 128 HB3 PHE 22 2HB PHE 22 10.124 3.689 -4.859 129 HD1 PHE 22 HD2 PHE 22 8.222 2.858 -1.770 130 HD2 PHE 22 HD1 PHE 22 8.226 3.080 -6.020 131 HE1 PHE 22 HE2 PHE 22 5.825 2.306 -1.797 132 HE2 PHE 22 HE1 PHE 22 5.828 2.528 -6.055 133 HZ PHE 22 HZ PHE 22 4.625 2.139 -3.941 134 H GLY 23 H GLY 23 12.285 2.550 -5.469 135 HA2 GLY 23 1HA GLY 23 14.752 2.633 -3.985 136 HA3 GLY 23 2HA GLY 23 14.566 2.866 -5.717 137 H ARG 24 H ARG 24 12.772 5.003 -5.729 138 HA ARG 24 HA ARG 24 14.505 7.136 -4.690 139 HB2 ARG 24 1HB ARG 24 12.507 7.111 -6.954 140 HB3 ARG 24 2HB ARG 24 13.302 8.568 -6.376 141 HG2 ARG 24 1HG ARG 24 15.475 7.619 -6.954 142 HG3 ARG 24 2HG ARG 24 14.679 6.152 -7.529 143 HD2 ARG 24 1HD ARG 24 13.872 7.163 -9.412 144 HD3 ARG 24 2HD ARG 24 13.784 8.751 -8.652 145 HE ARG 24 HE ARG 24 16.479 7.954 -8.929 146 HH11 ARG 24 1HH1 ARG 24 13.758 9.069 -10.792 147 HH12 ARG 24 2HH1 ARG 24 14.734 9.800 -12.023 148 HH21 ARG 24 1HH2 ARG 24 17.775 8.913 -10.542 149 HH22 ARG 24 2HH2 ARG 24 17.019 9.710 -11.880 150 H ARG 25 H ARG 25 13.545 9.028 -3.769 151 HA ARG 25 HA ARG 25 11.527 8.483 -1.890 152 HB2 ARG 25 1HB ARG 25 12.852 10.199 -1.159 153 HB3 ARG 25 2HB ARG 25 13.029 10.890 -2.767 154 HG2 ARG 25 1HG ARG 25 11.766 12.324 -1.201 155 HG3 ARG 25 2HG ARG 25 10.851 11.884 -2.644 156 HD2 ARG 25 1HD ARG 25 9.407 10.540 -1.487 157 HD3 ARG 25 2HD ARG 25 10.596 10.151 -0.244 158 HE ARG 25 HE ARG 25 9.811 11.908 0.979 159 HH11 ARG 25 1HH1 ARG 25 8.868 12.354 -2.343 160 HH12 ARG 25 2HH1 ARG 25 7.899 13.753 -2.016 161 HH21 ARG 25 1HH2 ARG 25 8.539 13.749 1.421 162 HH22 ARG 25 2HH2 ARG 25 7.714 14.546 0.125 163 H SER 26 H SER 26 11.396 10.795 -4.608 164 HA SER 26 HA SER 26 8.710 11.380 -4.512 165 HB2 SER 26 1HB SER 26 9.963 12.684 -6.000 166 HB3 SER 26 2HB SER 26 10.669 11.275 -6.791 167 HG SER 26 HG SER 26 9.151 11.675 -8.205 168 H HIS 27 H HIS 27 10.273 8.521 -5.745 169 HA HIS 27 HA HIS 27 8.150 7.492 -7.283 170 HB2 HIS 27 1HB HIS 27 10.558 6.296 -5.961 171 HB3 HIS 27 2HB HIS 27 9.332 5.236 -6.650 172 HD1 HIS 27 HD1 HIS 27 10.873 4.397 -8.518 173 HD2 HIS 27 HD2 HIS 27 10.325 8.516 -8.527 174 HE1 HIS 27 HE1 HIS 27 11.801 5.194 -10.715 175 H LEU 28 H LEU 28 8.904 7.300 -3.854 176 HA LEU 28 HA LEU 28 6.739 5.452 -3.329 177 HB2 LEU 28 1HB LEU 28 8.470 5.056 -1.877 178 HB3 LEU 28 2HB LEU 28 8.872 6.765 -1.722 179 HG LEU 28 HG LEU 28 6.645 6.928 -0.414 180 HD11 LEU 28 1HD1 LEU 28 5.586 5.067 0.260 181 HD12 LEU 28 2HD1 LEU 28 7.083 4.157 0.455 182 HD13 LEU 28 3HD1 LEU 28 6.364 4.337 -1.145 183 HD21 LEU 28 3HD2 LEU 28 8.268 5.474 1.410 184 HD22 LEU 28 1HD2 LEU 28 8.087 7.220 1.245 185 HD23 LEU 28 2HD2 LEU 28 9.327 6.372 0.321 186 H ALA 29 H ALA 29 7.490 8.852 -2.631 187 HA ALA 29 HA ALA 29 5.461 9.701 -1.100 188 HB1 ALA 29 3HB ALA 29 6.917 10.924 -3.349 189 HB2 ALA 29 1HB ALA 29 5.407 11.712 -2.891 190 HB3 ALA 29 2HB ALA 29 6.687 11.496 -1.696 191 H GLY 30 H GLY 30 5.181 8.958 -4.555 192 HA2 GLY 30 1HA GLY 30 2.458 9.742 -4.786 193 HA3 GLY 30 2HA GLY 30 3.341 8.727 -5.916 194 H HIS 31 H HIS 31 4.035 6.695 -3.997 195 HA HIS 31 HA HIS 31 1.846 4.985 -4.273 196 HB2 HIS 31 1HB HIS 31 4.028 4.050 -3.961 197 HB3 HIS 31 2HB HIS 31 4.226 4.873 -2.416 198 HD1 HIS 31 HD1 HIS 31 2.252 2.060 -3.992 199 HD2 HIS 31 HD2 HIS 31 3.317 3.481 -0.236 200 HE1 HIS 31 HE1 HIS 31 1.507 0.291 -2.368 201 H LEU 32 H LEU 32 2.507 7.398 -1.916 202 HA LEU 32 HA LEU 32 0.615 6.313 0.010 203 HB2 LEU 32 1HB LEU 32 2.202 8.877 0.031 204 HB3 LEU 32 2HB LEU 32 1.205 8.282 1.357 205 HG LEU 32 HG LEU 32 3.221 7.582 2.114 206 HD11 LEU 32 1HD1 LEU 32 2.017 5.542 1.884 207 HD12 LEU 32 2HD1 LEU 32 3.685 5.229 1.405 208 HD13 LEU 32 3HD1 LEU 32 2.436 5.417 0.175 209 HD21 LEU 32 3HD2 LEU 32 5.132 7.687 0.944 210 HD22 LEU 32 1HD2 LEU 32 4.134 8.438 -0.302 211 HD23 LEU 32 2HD2 LEU 32 4.492 6.713 -0.381 212 H ARG 33 H ARG 33 0.817 8.804 -2.430 213 HA ARG 33 HA ARG 33 -1.245 10.488 -1.787 214 HB2 ARG 33 1HB ARG 33 -0.108 9.518 -4.362 215 HB3 ARG 33 2HB ARG 33 -1.629 10.398 -4.423 216 HG2 ARG 33 1HG ARG 33 -0.442 12.187 -3.037 217 HG3 ARG 33 2HG ARG 33 1.049 11.352 -3.479 218 HD2 ARG 33 1HD ARG 33 0.935 12.857 -5.190 219 HD3 ARG 33 2HD ARG 33 0.011 11.535 -5.902 220 HE ARG 33 HE ARG 33 -1.879 12.831 -5.788 221 HH11 ARG 33 1HH1 ARG 33 0.638 14.277 -3.865 222 HH12 ARG 33 2HH1 ARG 33 -0.234 15.750 -3.596 223 HH21 ARG 33 1HH2 ARG 33 -3.037 14.766 -5.441 224 HH22 ARG 33 2HH2 ARG 33 -2.324 16.027 -4.492 225 H LEU 34 H LEU 34 -1.444 7.252 -3.156 226 HA LEU 34 HA LEU 34 -4.270 7.356 -3.611 227 HB2 LEU 34 1HB LEU 34 -4.058 4.929 -3.992 228 HB3 LEU 34 2HB LEU 34 -2.925 5.886 -4.945 229 HG LEU 34 HG LEU 34 -1.243 5.323 -3.050 230 HD11 LEU 34 1HD1 LEU 34 -3.560 3.646 -2.381 231 HD12 LEU 34 2HD1 LEU 34 -2.230 4.208 -1.369 232 HD13 LEU 34 3HD1 LEU 34 -2.009 2.806 -2.416 233 HD21 LEU 34 3HD2 LEU 34 -0.944 4.529 -5.286 234 HD22 LEU 34 1HD2 LEU 34 -2.214 3.322 -5.083 235 HD23 LEU 34 2HD2 LEU 34 -0.701 3.170 -4.188 236 H HIS 35 H HIS 35 -2.190 6.413 -0.975 237 HA HIS 35 HA HIS 35 -4.046 4.896 0.507 238 HB2 HIS 35 1HB HIS 35 -1.478 6.281 1.089 239 HB3 HIS 35 2HB HIS 35 -2.494 5.853 2.463 240 HD1 HIS 35 HD1 HIS 35 -3.356 3.150 2.192 241 HD2 HIS 35 HD2 HIS 35 0.278 4.316 0.549 242 HE1 HIS 35 HE1 HIS 35 -2.034 1.029 1.910 243 H SER 36 H SER 36 -3.829 8.245 -0.111 244 HA SER 36 HA SER 36 -5.422 8.961 2.231 245 HB2 SER 36 1HB SER 36 -3.612 10.476 1.744 246 HB3 SER 36 2HB SER 36 -4.135 10.640 0.067 247 HG SER 36 HG SER 36 -6.141 11.511 0.999 248 H ARG 37 H ARG 37 -5.603 9.047 -1.310 249 HA ARG 37 HA ARG 37 -7.877 10.286 -1.907 250 HB2 ARG 37 1HB ARG 37 -7.989 9.043 -3.822 251 HB3 ARG 37 2HB ARG 37 -6.380 8.580 -3.287 252 HG2 ARG 37 1HG ARG 37 -7.253 6.536 -2.326 253 HG3 ARG 37 2HG ARG 37 -8.895 7.010 -2.768 254 HD2 ARG 37 1HD ARG 37 -6.669 6.652 -4.765 255 HD3 ARG 37 2HD ARG 37 -7.790 5.366 -4.317 256 HE ARG 37 HE ARG 37 -8.289 7.482 -6.127 257 HH11 ARG 37 1HH1 ARG 37 -9.818 5.588 -3.637 258 HH12 ARG 37 2HH1 ARG 37 -11.412 5.779 -4.289 259 HH21 ARG 37 1HH2 ARG 37 -10.383 7.741 -6.995 260 HH22 ARG 37 2HH2 ARG 37 -11.732 7.003 -6.199 261 H GLU 38 H GLU 38 -10.046 10.121 -1.624 262 HA GLU 38 HA GLU 38 -11.994 9.566 -0.581 263 HB2 GLU 38 1HB GLU 38 -11.425 7.551 -2.199 264 HB3 GLU 38 2HB GLU 38 -11.257 6.675 -0.685 265 HG2 GLU 38 1HG GLU 38 -13.704 8.305 -1.154 266 HG3 GLU 38 2HG GLU 38 -13.540 6.741 -1.949 267 H LYS 39 H LYS 39 -9.893 10.189 1.160 268 HA LYS 39 HA LYS 39 -9.494 8.333 3.229 269 HB2 LYS 39 1HB LYS 39 -8.357 10.651 2.701 270 HB3 LYS 39 2HB LYS 39 -9.583 11.268 3.801 271 HG2 LYS 39 1HG LYS 39 -8.772 9.852 5.572 272 HG3 LYS 39 2HG LYS 39 -7.619 9.087 4.476 273 HD2 LYS 39 1HD LYS 39 -6.353 10.661 5.670 274 HD3 LYS 39 2HD LYS 39 -6.673 11.432 4.115 275 HE2 LYS 39 1HE LYS 39 -7.044 13.065 5.807 276 HE3 LYS 39 2HE LYS 39 -8.623 12.581 5.190 277 HZ1 LYS 39 3HZ LYS 39 -7.434 11.369 7.616 278 HZ2 LYS 39 1HZ LYS 39 -9.045 11.311 7.100 279 HZ3 LYS 39 2HZ LYS 39 -8.394 12.761 7.680 280 H SER 40 H SER 40 -10.470 8.082 5.244 281 HA SER 40 HA SER 40 -13.154 7.918 5.446 282 HB2 SER 40 1HB SER 40 -11.207 8.613 7.655 283 HB3 SER 40 2HB SER 40 -12.879 8.128 7.937 284 HG SER 40 HG SER 40 -11.826 6.249 8.033 285 H SER 41 H SER 41 -11.246 10.755 6.421 286 HA SER 41 HA SER 41 -13.180 12.393 7.425 287 HB2 SER 41 1HB SER 41 -10.667 12.853 7.074 288 HB3 SER 41 2HB SER 41 -11.136 13.467 5.489 289 HG SER 41 HG SER 41 -11.129 15.171 6.930 290 H GLY 42 H GLY 42 -15.134 12.856 6.668 291 HA2 GLY 42 1HA GLY 42 -16.065 14.381 4.818 292 HA3 GLY 42 2HA GLY 42 -15.498 13.101 3.755 293 HA PRO 43 HA PRO 43 -19.898 12.142 4.617 294 HB2 PRO 43 1HB PRO 43 -20.380 11.136 2.142 295 HB3 PRO 43 2HB PRO 43 -20.462 12.863 2.509 296 HG2 PRO 43 1HG PRO 43 -18.247 11.300 1.239 297 HG3 PRO 43 2HG PRO 43 -18.895 12.888 0.791 298 HD2 PRO 43 1HD PRO 43 -16.609 12.596 2.213 299 HD3 PRO 43 2HD PRO 43 -17.700 13.979 2.433 300 H SER 44 H SER 44 -20.876 10.155 4.994 301 HA SER 44 HA SER 44 -19.049 7.865 4.959 302 HB2 SER 44 1HB SER 44 -20.204 8.637 7.099 303 HB3 SER 44 2HB SER 44 -21.701 8.026 6.394 304 HG SER 44 HG SER 44 -20.920 6.333 7.510 305 H SER 45 H SER 45 -19.358 6.171 3.664 306 HA SER 45 HA SER 45 -21.973 5.450 2.689 307 HB2 SER 45 1HB SER 45 -21.370 5.631 0.293 308 HB3 SER 45 2HB SER 45 -21.404 7.205 1.088 309 HG SER 45 HG SER 45 -18.962 5.913 1.119 310 H GLY 46 H GLY 46 -22.095 3.314 2.250 311 HA2 GLY 46 1HA GLY 46 -21.369 1.174 1.683 312 HA3 GLY 46 2HA GLY 46 -19.732 1.796 1.536 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -1.467 -16.939 12.398 2 HA2 GLY 1 1HA GLY 1 -2.059 -19.736 12.018 3 HA3 GLY 1 2HA GLY 1 -3.476 -18.702 11.915 4 H SER 2 H SER 2 -2.638 -16.521 10.594 5 HA SER 2 HA SER 2 -1.935 -17.625 7.969 6 HB2 SER 2 1HB SER 2 -3.521 -15.250 8.870 7 HB3 SER 2 2HB SER 2 -2.771 -15.225 7.274 8 HG SER 2 HG SER 2 -4.333 -17.417 8.115 9 H SER 3 H SER 3 0.334 -17.701 8.477 10 HA SER 3 HA SER 3 1.796 -15.354 9.152 11 HB2 SER 3 1HB SER 3 2.721 -17.522 9.691 12 HB3 SER 3 2HB SER 3 2.690 -18.004 7.995 13 HG SER 3 HG SER 3 4.382 -16.734 7.581 14 H GLY 4 H GLY 4 1.682 -13.659 7.795 15 HA2 GLY 4 1HA GLY 4 2.485 -14.141 4.995 16 HA3 GLY 4 2HA GLY 4 1.149 -13.068 5.383 17 H SER 5 H SER 5 4.591 -13.453 5.297 18 HA SER 5 HA SER 5 4.877 -10.563 5.732 19 HB2 SER 5 1HB SER 5 6.758 -10.827 7.167 20 HB3 SER 5 2HB SER 5 5.519 -11.914 7.793 21 HG SER 5 HG SER 5 7.787 -12.579 6.229 22 H SER 6 H SER 6 6.529 -9.568 4.575 23 HA SER 6 HA SER 6 7.368 -11.013 2.208 24 HB2 SER 6 1HB SER 6 6.559 -8.785 1.839 25 HB3 SER 6 2HB SER 6 7.652 -8.124 3.054 26 HG SER 6 HG SER 6 9.075 -7.936 1.536 27 H GLY 7 H GLY 7 9.064 -8.962 4.593 28 HA2 GLY 7 1HA GLY 7 11.072 -9.430 5.691 29 HA3 GLY 7 2HA GLY 7 11.239 -10.883 4.716 30 H SER 8 H SER 8 12.259 -10.779 2.717 31 HA SER 8 HA SER 8 14.357 -8.967 2.460 32 HB2 SER 8 1HB SER 8 14.454 -11.106 1.347 33 HB3 SER 8 2HB SER 8 13.034 -10.718 0.376 34 HG SER 8 HG SER 8 15.520 -9.348 0.281 35 H GLY 9 H GLY 9 14.346 -6.882 1.969 36 HA2 GLY 9 1HA GLY 9 13.029 -5.817 -0.296 37 HA3 GLY 9 2HA GLY 9 12.108 -5.434 1.151 38 H GLU 10 H GLU 10 15.589 -5.528 0.381 39 HA GLU 10 HA GLU 10 16.193 -3.295 2.006 40 HB2 GLU 10 1HB GLU 10 17.716 -4.692 -0.188 41 HB3 GLU 10 2HB GLU 10 18.380 -3.323 0.692 42 HG2 GLU 10 1HG GLU 10 18.227 -4.544 2.774 43 HG3 GLU 10 2HG GLU 10 17.471 -5.903 1.945 44 H ARG 11 H ARG 11 15.449 -1.316 1.623 45 HA ARG 11 HA ARG 11 15.928 -0.114 -0.986 46 HB2 ARG 11 1HB ARG 11 13.209 -0.329 0.299 47 HB3 ARG 11 2HB ARG 11 13.586 0.890 -0.911 48 HG2 ARG 11 1HG ARG 11 13.731 -2.093 -1.297 49 HG3 ARG 11 2HG ARG 11 12.474 -1.018 -1.913 50 HD2 ARG 11 1HD ARG 11 14.513 0.231 -2.992 51 HD3 ARG 11 2HD ARG 11 15.309 -1.329 -2.785 52 HE ARG 11 HE ARG 11 12.732 -1.418 -4.096 53 HH11 ARG 11 1HH1 ARG 11 16.187 -1.205 -4.465 54 HH12 ARG 11 2HH1 ARG 11 16.179 -1.783 -6.099 55 HH21 ARG 11 1HH2 ARG 11 12.708 -2.179 -6.246 56 HH22 ARG 11 2HH2 ARG 11 14.200 -2.335 -7.111 57 HA PRO 12 HA PRO 12 16.997 3.425 1.379 58 HB2 PRO 12 1HB PRO 12 16.334 5.430 -0.327 59 HB3 PRO 12 2HB PRO 12 17.727 4.372 -0.583 60 HG2 PRO 12 1HG PRO 12 15.000 4.245 -1.812 61 HG3 PRO 12 2HG PRO 12 16.584 4.028 -2.579 62 HD2 PRO 12 1HD PRO 12 15.006 1.942 -1.882 63 HD3 PRO 12 2HD PRO 12 16.778 1.849 -1.852 64 H PHE 13 H PHE 13 13.749 3.224 0.073 65 HA PHE 13 HA PHE 13 12.794 4.820 2.352 66 HB2 PHE 13 1HB PHE 13 11.842 4.954 -0.513 67 HB3 PHE 13 2HB PHE 13 10.956 5.650 0.840 68 HD1 PHE 13 HD1 PHE 13 14.014 5.877 -1.184 69 HD2 PHE 13 HD2 PHE 13 11.657 7.684 1.866 70 HE1 PHE 13 HE1 PHE 13 15.343 7.938 -1.382 71 HE2 PHE 13 HE2 PHE 13 12.983 9.748 1.672 72 HZ PHE 13 HZ PHE 13 14.828 9.877 0.046 73 H LYS 14 H LYS 14 10.567 4.360 2.981 74 HA LYS 14 HA LYS 14 9.366 1.917 1.998 75 HB2 LYS 14 1HB LYS 14 11.061 1.164 3.674 76 HB3 LYS 14 2HB LYS 14 10.212 2.105 4.894 77 HG2 LYS 14 1HG LYS 14 8.154 0.702 4.198 78 HG3 LYS 14 2HG LYS 14 9.348 -0.389 3.493 79 HD2 LYS 14 1HD LYS 14 10.290 -0.892 5.559 80 HD3 LYS 14 2HD LYS 14 9.638 0.561 6.319 81 HE2 LYS 14 1HE LYS 14 7.721 -1.445 5.255 82 HE3 LYS 14 2HE LYS 14 8.589 -1.836 6.739 83 HZ1 LYS 14 3HZ LYS 14 7.225 -0.528 7.865 84 HZ2 LYS 14 1HZ LYS 14 6.342 -0.223 6.454 85 HZ3 LYS 14 2HZ LYS 14 7.614 0.801 6.893 86 H CYS 15 H CYS 15 7.218 1.573 2.805 87 HA CYS 15 HA CYS 15 5.971 4.074 3.688 88 HB2 CYS 15 1HB CYS 15 5.004 3.242 1.672 89 HB3 CYS 15 2HB CYS 15 4.872 1.614 2.329 90 H ASN 16 H ASN 16 4.844 4.254 5.555 91 HA ASN 16 HA ASN 16 5.118 2.079 7.468 92 HB2 ASN 16 1HB ASN 16 4.577 5.003 7.628 93 HB3 ASN 16 2HB ASN 16 3.949 3.990 8.925 94 HD21 ASN 16 1HD2 ASN 16 6.302 5.983 8.406 95 HD22 ASN 16 2HD2 ASN 16 7.617 5.217 9.224 96 H GLU 17 H GLU 17 2.716 3.523 5.473 97 HA GLU 17 HA GLU 17 0.392 2.905 6.916 98 HB2 GLU 17 1HB GLU 17 0.648 2.880 3.909 99 HB3 GLU 17 2HB GLU 17 -0.799 3.196 4.856 100 HG2 GLU 17 1HG GLU 17 1.632 4.952 4.985 101 HG3 GLU 17 2HG GLU 17 0.338 5.194 3.812 102 H CYS 18 H CYS 18 1.866 1.096 4.215 103 HA CYS 18 HA CYS 18 0.571 -1.333 5.269 104 HB2 CYS 18 1HB CYS 18 0.564 -2.204 2.988 105 HB3 CYS 18 2HB CYS 18 -0.275 -0.657 3.055 106 H GLY 19 H GLY 19 3.471 -0.095 3.636 107 HA2 GLY 19 1HA GLY 19 5.569 -0.862 4.833 108 HA3 GLY 19 2HA GLY 19 4.923 -2.480 4.598 109 H LYS 20 H LYS 20 4.371 -0.201 2.086 110 HA LYS 20 HA LYS 20 5.681 -1.765 0.147 111 HB2 LYS 20 1HB LYS 20 3.792 -0.107 -0.218 112 HB3 LYS 20 2HB LYS 20 5.005 1.163 -0.129 113 HG2 LYS 20 1HG LYS 20 4.465 0.574 -2.436 114 HG3 LYS 20 2HG LYS 20 6.155 0.239 -2.053 115 HD2 LYS 20 1HD LYS 20 5.810 -2.069 -2.003 116 HD3 LYS 20 2HD LYS 20 4.063 -1.897 -1.814 117 HE2 LYS 20 1HE LYS 20 4.219 -0.750 -4.155 118 HE3 LYS 20 2HE LYS 20 5.749 -1.618 -4.265 119 HZ1 LYS 20 3HZ LYS 20 3.039 -2.769 -3.922 120 HZ2 LYS 20 1HZ LYS 20 4.455 -3.670 -3.710 121 HZ3 LYS 20 2HZ LYS 20 4.102 -2.992 -5.219 122 H GLY 21 H GLY 21 7.464 -1.055 -1.264 123 HA2 GLY 21 1HA GLY 21 9.421 0.655 0.122 124 HA3 GLY 21 2HA GLY 21 9.889 -0.946 -0.430 125 H PHE 22 H PHE 22 10.765 1.847 -1.161 126 HA PHE 22 HA PHE 22 10.691 1.417 -4.050 127 HB2 PHE 22 1HB PHE 22 10.050 4.077 -2.758 128 HB3 PHE 22 2HB PHE 22 10.217 3.789 -4.487 129 HD1 PHE 22 HD2 PHE 22 8.188 2.933 -1.513 130 HD2 PHE 22 HD1 PHE 22 8.411 3.019 -5.763 131 HE1 PHE 22 HE2 PHE 22 5.794 2.381 -1.646 132 HE2 PHE 22 HE1 PHE 22 6.017 2.468 -5.903 133 HZ PHE 22 HZ PHE 22 4.705 2.147 -3.843 134 H GLY 23 H GLY 23 12.277 2.918 -5.176 135 HA2 GLY 23 1HA GLY 23 14.744 2.930 -3.596 136 HA3 GLY 23 2HA GLY 23 14.638 3.010 -5.348 137 H ARG 24 H ARG 24 12.766 5.108 -5.563 138 HA ARG 24 HA ARG 24 14.474 7.351 -4.751 139 HB2 ARG 24 1HB ARG 24 12.308 7.188 -6.855 140 HB3 ARG 24 2HB ARG 24 13.251 8.627 -6.490 141 HG2 ARG 24 1HG ARG 24 15.296 7.431 -7.144 142 HG3 ARG 24 2HG ARG 24 14.318 6.022 -7.558 143 HD2 ARG 24 1HD ARG 24 14.697 7.148 -9.591 144 HD3 ARG 24 2HD ARG 24 13.043 7.547 -9.130 145 HE ARG 24 HE ARG 24 14.779 9.519 -8.136 146 HH11 ARG 24 1HH1 ARG 24 13.492 8.343 -11.149 147 HH12 ARG 24 2HH1 ARG 24 13.602 9.878 -11.945 148 HH21 ARG 24 1HH2 ARG 24 14.929 11.545 -9.173 149 HH22 ARG 24 2HH2 ARG 24 14.420 11.698 -10.821 150 H ARG 25 H ARG 25 13.518 9.297 -3.940 151 HA ARG 25 HA ARG 25 11.613 8.864 -1.914 152 HB2 ARG 25 1HB ARG 25 13.438 10.722 -2.197 153 HB3 ARG 25 2HB ARG 25 12.150 11.599 -3.012 154 HG2 ARG 25 1HG ARG 25 12.136 10.586 -0.178 155 HG3 ARG 25 2HG ARG 25 12.230 12.265 -0.710 156 HD2 ARG 25 1HD ARG 25 9.979 11.597 -1.946 157 HD3 ARG 25 2HD ARG 25 9.910 10.413 -0.641 158 HE ARG 25 HE ARG 25 10.409 13.147 0.174 159 HH11 ARG 25 1HH1 ARG 25 8.055 10.640 -0.367 160 HH12 ARG 25 2HH1 ARG 25 6.861 11.359 0.662 161 HH21 ARG 25 1HH2 ARG 25 8.845 14.103 1.531 162 HH22 ARG 25 2HH2 ARG 25 7.311 13.329 1.740 163 H SER 26 H SER 26 11.323 10.824 -4.884 164 HA SER 26 HA SER 26 8.601 11.380 -4.649 165 HB2 SER 26 1HB SER 26 10.398 11.187 -7.068 166 HB3 SER 26 2HB SER 26 8.715 11.703 -7.175 167 HG SER 26 HG SER 26 10.909 13.071 -6.295 168 H HIS 27 H HIS 27 10.247 8.533 -5.780 169 HA HIS 27 HA HIS 27 8.152 7.340 -7.227 170 HB2 HIS 27 1HB HIS 27 10.663 6.391 -5.946 171 HB3 HIS 27 2HB HIS 27 9.453 5.175 -6.346 172 HD1 HIS 27 HD1 HIS 27 11.822 4.706 -7.896 173 HD2 HIS 27 HD2 HIS 27 9.100 7.607 -9.095 174 HE1 HIS 27 HE1 HIS 27 12.254 5.060 -10.348 175 H LEU 28 H LEU 28 8.962 7.320 -3.799 176 HA LEU 28 HA LEU 28 6.831 5.466 -3.165 177 HB2 LEU 28 1HB LEU 28 8.625 5.160 -1.751 178 HB3 LEU 28 2HB LEU 28 8.954 6.887 -1.626 179 HG LEU 28 HG LEU 28 6.832 7.049 -0.246 180 HD11 LEU 28 1HD1 LEU 28 5.553 5.263 0.025 181 HD12 LEU 28 2HD1 LEU 28 6.903 4.380 0.735 182 HD13 LEU 28 3HD1 LEU 28 6.639 4.333 -1.008 183 HD21 LEU 28 3HD2 LEU 28 8.032 6.785 1.680 184 HD22 LEU 28 1HD2 LEU 28 9.349 6.791 0.507 185 HD23 LEU 28 2HD2 LEU 28 8.753 5.263 1.155 186 H ALA 29 H ALA 29 7.563 8.892 -2.556 187 HA ALA 29 HA ALA 29 5.542 9.766 -1.037 188 HB1 ALA 29 3HB ALA 29 5.516 11.863 -2.367 189 HB2 ALA 29 1HB ALA 29 7.139 11.302 -1.964 190 HB3 ALA 29 2HB ALA 29 6.498 11.055 -3.589 191 H GLY 30 H GLY 30 5.227 8.939 -4.472 192 HA2 GLY 30 1HA GLY 30 2.505 9.696 -4.711 193 HA3 GLY 30 2HA GLY 30 3.376 8.621 -5.795 194 H HIS 31 H HIS 31 4.074 6.657 -3.843 195 HA HIS 31 HA HIS 31 1.895 4.945 -4.004 196 HB2 HIS 31 1HB HIS 31 4.069 4.030 -3.618 197 HB3 HIS 31 2HB HIS 31 4.260 4.948 -2.127 198 HD1 HIS 31 HD1 HIS 31 2.311 2.032 -3.532 199 HD2 HIS 31 HD2 HIS 31 3.325 3.705 0.133 200 HE1 HIS 31 HE1 HIS 31 1.556 0.370 -1.802 201 H LEU 32 H LEU 32 2.498 7.507 -1.804 202 HA LEU 32 HA LEU 32 0.573 6.519 0.151 203 HB2 LEU 32 1HB LEU 32 2.168 9.076 0.112 204 HB3 LEU 32 2HB LEU 32 1.183 8.491 1.451 205 HG LEU 32 HG LEU 32 3.217 7.836 2.207 206 HD11 LEU 32 1HD1 LEU 32 2.016 5.783 2.031 207 HD12 LEU 32 2HD1 LEU 32 3.688 5.470 1.567 208 HD13 LEU 32 3HD1 LEU 32 2.442 5.615 0.328 209 HD21 LEU 32 3HD2 LEU 32 4.100 8.633 -0.242 210 HD22 LEU 32 1HD2 LEU 32 4.475 6.910 -0.272 211 HD23 LEU 32 2HD2 LEU 32 5.116 7.929 1.017 212 H ARG 33 H ARG 33 0.748 8.639 -2.548 213 HA ARG 33 HA ARG 33 -1.307 10.446 -1.942 214 HB2 ARG 33 1HB ARG 33 -0.140 9.413 -4.506 215 HB3 ARG 33 2HB ARG 33 -1.544 10.471 -4.536 216 HG2 ARG 33 1HG ARG 33 -0.058 11.976 -2.990 217 HG3 ARG 33 2HG ARG 33 1.257 11.059 -3.727 218 HD2 ARG 33 1HD ARG 33 0.984 12.971 -5.076 219 HD3 ARG 33 2HD ARG 33 0.226 11.650 -5.965 220 HE ARG 33 HE ARG 33 -1.829 12.653 -5.665 221 HH11 ARG 33 1HH1 ARG 33 0.580 14.258 -3.731 222 HH12 ARG 33 2HH1 ARG 33 -0.442 15.601 -3.339 223 HH21 ARG 33 1HH2 ARG 33 -3.184 14.416 -5.156 224 HH22 ARG 33 2HH2 ARG 33 -2.583 15.689 -4.149 225 H LEU 34 H LEU 34 -1.377 7.146 -3.076 226 HA LEU 34 HA LEU 34 -4.166 7.201 -3.789 227 HB2 LEU 34 1HB LEU 34 -3.917 4.806 -4.130 228 HB3 LEU 34 2HB LEU 34 -2.631 5.705 -4.932 229 HG LEU 34 HG LEU 34 -1.260 5.134 -2.794 230 HD11 LEU 34 1HD1 LEU 34 -2.378 3.967 -1.267 231 HD12 LEU 34 2HD1 LEU 34 -2.294 2.602 -2.379 232 HD13 LEU 34 3HD1 LEU 34 -3.713 3.650 -2.375 233 HD21 LEU 34 3HD2 LEU 34 -0.647 2.926 -3.828 234 HD22 LEU 34 1HD2 LEU 34 -0.609 4.308 -4.923 235 HD23 LEU 34 2HD2 LEU 34 -1.964 3.180 -4.974 236 H HIS 35 H HIS 35 -2.263 6.414 -0.978 237 HA HIS 35 HA HIS 35 -4.110 4.883 0.456 238 HB2 HIS 35 1HB HIS 35 -1.759 6.564 1.157 239 HB3 HIS 35 2HB HIS 35 -2.856 6.128 2.464 240 HD1 HIS 35 HD1 HIS 35 -3.472 3.297 2.125 241 HD2 HIS 35 HD2 HIS 35 0.273 4.800 1.135 242 HE1 HIS 35 HE1 HIS 35 -1.918 1.320 2.179 243 H SER 36 H SER 36 -3.774 8.370 0.110 244 HA SER 36 HA SER 36 -5.849 8.929 2.038 245 HB2 SER 36 1HB SER 36 -3.765 10.394 1.303 246 HB3 SER 36 2HB SER 36 -4.901 10.991 0.094 247 HG SER 36 HG SER 36 -5.211 12.294 1.809 248 H ARG 37 H ARG 37 -6.740 7.206 0.019 249 HA ARG 37 HA ARG 37 -8.619 8.929 -1.460 250 HB2 ARG 37 1HB ARG 37 -7.229 7.803 -3.044 251 HB3 ARG 37 2HB ARG 37 -7.415 6.267 -2.209 252 HG2 ARG 37 1HG ARG 37 -9.965 6.683 -2.762 253 HG3 ARG 37 2HG ARG 37 -9.269 7.664 -4.054 254 HD2 ARG 37 1HD ARG 37 -8.328 5.859 -5.104 255 HD3 ARG 37 2HD ARG 37 -8.186 4.929 -3.613 256 HE ARG 37 HE ARG 37 -10.285 4.083 -3.978 257 HH11 ARG 37 1HH1 ARG 37 -9.772 6.828 -6.058 258 HH12 ARG 37 2HH1 ARG 37 -11.224 6.574 -6.968 259 HH21 ARG 37 1HH2 ARG 37 -12.199 3.738 -5.170 260 HH22 ARG 37 2HH2 ARG 37 -12.604 4.816 -6.462 261 H GLU 38 H GLU 38 -8.251 5.781 0.144 262 HA GLU 38 HA GLU 38 -11.153 5.528 0.341 263 HB2 GLU 38 1HB GLU 38 -10.624 3.269 1.279 264 HB3 GLU 38 2HB GLU 38 -10.036 3.529 -0.357 265 HG2 GLU 38 1HG GLU 38 -7.797 3.951 0.503 266 HG3 GLU 38 2HG GLU 38 -8.380 3.719 2.150 267 H LYS 39 H LYS 39 -10.683 7.595 1.795 268 HA LYS 39 HA LYS 39 -11.200 6.741 4.487 269 HB2 LYS 39 1HB LYS 39 -9.345 8.286 5.388 270 HB3 LYS 39 2HB LYS 39 -8.885 6.689 4.812 271 HG2 LYS 39 1HG LYS 39 -7.279 7.903 3.781 272 HG3 LYS 39 2HG LYS 39 -8.535 8.029 2.547 273 HD2 LYS 39 1HD LYS 39 -7.915 10.233 2.764 274 HD3 LYS 39 2HD LYS 39 -9.241 10.146 3.926 275 HE2 LYS 39 1HE LYS 39 -6.464 9.565 4.844 276 HE3 LYS 39 2HE LYS 39 -6.942 11.240 4.574 277 HZ1 LYS 39 3HZ LYS 39 -7.779 9.386 6.645 278 HZ2 LYS 39 1HZ LYS 39 -9.000 10.369 6.009 279 HZ3 LYS 39 2HZ LYS 39 -7.623 11.070 6.696 280 H SER 40 H SER 40 -11.993 8.442 5.830 281 HA SER 40 HA SER 40 -12.746 10.864 4.328 282 HB2 SER 40 1HB SER 40 -14.563 9.101 4.994 283 HB3 SER 40 2HB SER 40 -14.401 9.814 6.599 284 HG SER 40 HG SER 40 -14.727 11.518 4.404 285 H SER 41 H SER 41 -12.738 12.834 5.411 286 HA SER 41 HA SER 41 -11.103 12.860 7.844 287 HB2 SER 41 1HB SER 41 -11.768 15.122 5.944 288 HB3 SER 41 2HB SER 41 -10.647 15.208 7.303 289 HG SER 41 HG SER 41 -9.604 13.331 6.126 290 H GLY 42 H GLY 42 -11.602 14.800 9.328 291 HA2 GLY 42 1HA GLY 42 -13.526 16.286 9.980 292 HA3 GLY 42 2HA GLY 42 -14.524 14.855 9.769 293 HA PRO 43 HA PRO 43 -13.942 13.736 13.962 294 HB2 PRO 43 1HB PRO 43 -13.788 11.029 13.834 295 HB3 PRO 43 2HB PRO 43 -15.292 11.919 13.569 296 HG2 PRO 43 1HG PRO 43 -13.389 10.775 11.561 297 HG3 PRO 43 2HG PRO 43 -15.162 10.738 11.570 298 HD2 PRO 43 1HD PRO 43 -13.748 12.488 10.063 299 HD3 PRO 43 2HD PRO 43 -15.335 12.886 10.752 300 H SER 44 H SER 44 -11.969 14.519 14.624 301 HA SER 44 HA SER 44 -9.859 12.579 14.932 302 HB2 SER 44 1HB SER 44 -9.576 14.941 13.103 303 HB3 SER 44 2HB SER 44 -8.174 14.345 13.991 304 HG SER 44 HG SER 44 -8.064 12.731 12.659 305 H SER 45 H SER 45 -8.679 12.945 16.737 306 HA SER 45 HA SER 45 -9.579 14.956 18.551 307 HB2 SER 45 1HB SER 45 -8.760 12.650 19.194 308 HB3 SER 45 2HB SER 45 -7.125 13.215 18.851 309 HG SER 45 HG SER 45 -7.126 14.287 20.662 310 H GLY 46 H GLY 46 -9.123 16.901 17.395 311 HA2 GLY 46 1HA GLY 46 -7.709 18.817 17.699 312 HA3 GLY 46 2HA GLY 46 -6.320 17.740 17.715 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -5.924 -0.197 -2.539 2 HA2 GLY 1 1HA GLY 1 -4.888 -2.865 -3.063 3 HA3 GLY 1 2HA GLY 1 -3.991 -1.509 -2.396 4 H SER 2 H SER 2 -4.032 -1.121 -0.174 5 HA SER 2 HA SER 2 -3.826 -1.894 1.975 6 HB2 SER 2 1HB SER 2 -6.728 -2.184 1.267 7 HB3 SER 2 2HB SER 2 -6.159 -2.680 2.861 8 HG SER 2 HG SER 2 -5.367 -0.570 3.164 9 H SER 3 H SER 3 -2.875 -3.787 0.187 10 HA SER 3 HA SER 3 -3.988 -6.364 0.931 11 HB2 SER 3 1HB SER 3 -1.648 -5.624 -0.841 12 HB3 SER 3 2HB SER 3 -2.220 -7.271 -0.579 13 HG SER 3 HG SER 3 -4.349 -6.246 -1.288 14 H GLY 4 H GLY 4 -2.364 -8.115 1.558 15 HA2 GLY 4 1HA GLY 4 -0.509 -7.012 3.579 16 HA3 GLY 4 2HA GLY 4 -1.484 -8.448 3.855 17 H SER 5 H SER 5 0.362 -9.691 4.306 18 HA SER 5 HA SER 5 2.118 -11.066 3.846 19 HB2 SER 5 1HB SER 5 0.512 -11.049 1.334 20 HB3 SER 5 2HB SER 5 2.108 -11.797 1.284 21 HG SER 5 HG SER 5 0.077 -12.430 3.164 22 H SER 6 H SER 6 2.780 -8.379 3.892 23 HA SER 6 HA SER 6 4.127 -7.341 1.705 24 HB2 SER 6 1HB SER 6 4.870 -7.053 4.627 25 HB3 SER 6 2HB SER 6 5.407 -5.996 3.322 26 HG SER 6 HG SER 6 2.883 -5.950 3.036 27 H GLY 7 H GLY 7 5.760 -8.117 0.557 28 HA2 GLY 7 1HA GLY 7 7.285 -10.366 1.322 29 HA3 GLY 7 2HA GLY 7 7.630 -9.309 -0.039 30 H SER 8 H SER 8 9.684 -8.702 0.074 31 HA SER 8 HA SER 8 10.620 -7.259 2.390 32 HB2 SER 8 1HB SER 8 11.152 -9.529 3.088 33 HB3 SER 8 2HB SER 8 11.962 -9.842 1.553 34 HG SER 8 HG SER 8 12.747 -8.004 3.567 35 H GLY 9 H GLY 9 12.479 -6.005 1.977 36 HA2 GLY 9 1HA GLY 9 14.052 -6.170 -0.347 37 HA3 GLY 9 2HA GLY 9 12.730 -5.054 -0.652 38 H GLU 10 H GLU 10 15.835 -5.027 0.013 39 HA GLU 10 HA GLU 10 15.879 -3.128 2.197 40 HB2 GLU 10 1HB GLU 10 17.935 -4.504 0.525 41 HB3 GLU 10 2HB GLU 10 18.387 -3.027 1.364 42 HG2 GLU 10 1HG GLU 10 17.458 -4.143 3.462 43 HG3 GLU 10 2HG GLU 10 17.492 -5.638 2.527 44 H ARG 11 H ARG 11 14.570 -1.473 1.253 45 HA ARG 11 HA ARG 11 15.855 0.017 -0.933 46 HB2 ARG 11 1HB ARG 11 13.034 -0.331 -0.058 47 HB3 ARG 11 2HB ARG 11 13.480 1.227 -0.740 48 HG2 ARG 11 1HG ARG 11 12.726 0.052 -2.579 49 HG3 ARG 11 2HG ARG 11 14.476 -0.157 -2.674 50 HD2 ARG 11 1HD ARG 11 14.220 -2.338 -1.512 51 HD3 ARG 11 2HD ARG 11 12.471 -2.130 -1.588 52 HE ARG 11 HE ARG 11 12.527 -2.656 -3.829 53 HH11 ARG 11 1HH1 ARG 11 15.764 -2.155 -2.649 54 HH12 ARG 11 2HH1 ARG 11 16.521 -2.772 -4.081 55 HH21 ARG 11 1HH2 ARG 11 13.512 -3.471 -5.718 56 HH22 ARG 11 2HH2 ARG 11 15.239 -3.519 -5.826 57 HA PRO 12 HA PRO 12 16.874 3.425 1.633 58 HB2 PRO 12 1HB PRO 12 16.270 5.555 0.062 59 HB3 PRO 12 2HB PRO 12 17.649 4.493 -0.248 60 HG2 PRO 12 1HG PRO 12 14.940 4.498 -1.521 61 HG3 PRO 12 2HG PRO 12 16.532 4.309 -2.279 62 HD2 PRO 12 1HD PRO 12 14.909 2.206 -1.751 63 HD3 PRO 12 2HD PRO 12 16.680 2.082 -1.703 64 H PHE 13 H PHE 13 13.651 3.435 0.228 65 HA PHE 13 HA PHE 13 12.696 4.932 2.579 66 HB2 PHE 13 1HB PHE 13 11.771 5.092 -0.289 67 HB3 PHE 13 2HB PHE 13 10.811 5.704 1.054 68 HD1 PHE 13 HD1 PHE 13 14.271 5.954 -0.316 69 HD2 PHE 13 HD2 PHE 13 11.026 7.919 1.614 70 HE1 PHE 13 HE1 PHE 13 15.506 8.080 -0.411 71 HE2 PHE 13 HE2 PHE 13 12.256 10.048 1.522 72 HZ PHE 13 HZ PHE 13 14.498 10.130 0.508 73 H LYS 14 H LYS 14 10.339 4.522 3.035 74 HA LYS 14 HA LYS 14 9.287 1.979 2.146 75 HB2 LYS 14 1HB LYS 14 10.910 1.497 4.049 76 HB3 LYS 14 2HB LYS 14 9.788 2.354 5.097 77 HG2 LYS 14 1HG LYS 14 8.028 0.704 4.186 78 HG3 LYS 14 2HG LYS 14 9.422 -0.249 3.672 79 HD2 LYS 14 1HD LYS 14 10.218 0.112 6.131 80 HD3 LYS 14 2HD LYS 14 8.513 0.452 6.433 81 HE2 LYS 14 1HE LYS 14 7.854 -1.700 5.848 82 HE3 LYS 14 2HE LYS 14 9.334 -2.012 4.942 83 HZ1 LYS 14 3HZ LYS 14 9.021 -3.081 7.250 84 HZ2 LYS 14 1HZ LYS 14 9.454 -1.559 7.849 85 HZ3 LYS 14 2HZ LYS 14 10.525 -2.414 6.858 86 H CYS 15 H CYS 15 7.091 1.640 2.769 87 HA CYS 15 HA CYS 15 5.698 4.146 3.306 88 HB2 CYS 15 1HB CYS 15 4.930 2.904 1.379 89 HB3 CYS 15 2HB CYS 15 4.711 1.453 2.351 90 H ASN 16 H ASN 16 4.900 4.624 5.237 91 HA ASN 16 HA ASN 16 4.940 2.640 7.347 92 HB2 ASN 16 1HB ASN 16 4.671 5.599 7.195 93 HB3 ASN 16 2HB ASN 16 3.952 4.796 8.588 94 HD21 ASN 16 1HD2 ASN 16 5.258 3.847 10.110 95 HD22 ASN 16 2HD2 ASN 16 6.970 4.076 10.152 96 H GLU 17 H GLU 17 2.972 2.493 5.111 97 HA GLU 17 HA GLU 17 0.496 2.627 6.704 98 HB2 GLU 17 1HB GLU 17 0.587 2.549 3.697 99 HB3 GLU 17 2HB GLU 17 -0.746 3.030 4.737 100 HG2 GLU 17 1HG GLU 17 1.816 4.574 4.703 101 HG3 GLU 17 2HG GLU 17 0.567 4.848 3.490 102 H CYS 18 H CYS 18 1.943 0.818 3.990 103 HA CYS 18 HA CYS 18 0.613 -1.600 5.021 104 HB2 CYS 18 1HB CYS 18 0.720 -2.471 2.712 105 HB3 CYS 18 2HB CYS 18 -0.214 -0.982 2.816 106 H GLY 19 H GLY 19 3.561 -0.385 3.461 107 HA2 GLY 19 1HA GLY 19 5.624 -1.178 4.698 108 HA3 GLY 19 2HA GLY 19 4.967 -2.788 4.444 109 H LYS 20 H LYS 20 4.580 -0.403 1.968 110 HA LYS 20 HA LYS 20 6.027 -2.017 0.095 111 HB2 LYS 20 1HB LYS 20 3.982 -0.710 -0.484 112 HB3 LYS 20 2HB LYS 20 4.912 0.769 -0.277 113 HG2 LYS 20 1HG LYS 20 4.829 0.323 -2.596 114 HG3 LYS 20 2HG LYS 20 6.463 -0.074 -2.060 115 HD2 LYS 20 1HD LYS 20 5.796 -1.835 -3.493 116 HD3 LYS 20 2HD LYS 20 5.670 -2.469 -1.850 117 HE2 LYS 20 1HE LYS 20 3.254 -1.981 -1.879 118 HE3 LYS 20 2HE LYS 20 3.404 -1.418 -3.543 119 HZ1 LYS 20 3HZ LYS 20 4.479 -4.054 -3.089 120 HZ2 LYS 20 1HZ LYS 20 3.458 -3.497 -4.319 121 HZ3 LYS 20 2HZ LYS 20 2.813 -3.942 -2.820 122 H GLY 21 H GLY 21 7.775 -1.205 -1.273 123 HA2 GLY 21 1HA GLY 21 9.430 0.863 0.011 124 HA3 GLY 21 2HA GLY 21 10.125 -0.715 -0.328 125 H PHE 22 H PHE 22 10.642 2.100 -1.341 126 HA PHE 22 HA PHE 22 10.687 1.371 -4.187 127 HB2 PHE 22 1HB PHE 22 10.019 4.119 -3.111 128 HB3 PHE 22 2HB PHE 22 10.168 3.684 -4.811 129 HD1 PHE 22 HD2 PHE 22 8.240 2.850 -1.743 130 HD2 PHE 22 HD1 PHE 22 8.302 3.006 -5.996 131 HE1 PHE 22 HE2 PHE 22 5.851 2.263 -1.796 132 HE2 PHE 22 HE1 PHE 22 5.913 2.419 -6.056 133 HZ PHE 22 HZ PHE 22 4.685 2.046 -3.954 134 H GLY 23 H GLY 23 12.296 2.662 -5.434 135 HA2 GLY 23 1HA GLY 23 14.768 2.789 -3.919 136 HA3 GLY 23 2HA GLY 23 14.604 2.912 -5.665 137 H ARG 24 H ARG 24 12.699 5.009 -5.733 138 HA ARG 24 HA ARG 24 14.420 7.237 -4.891 139 HB2 ARG 24 1HB ARG 24 12.296 7.086 -7.036 140 HB3 ARG 24 2HB ARG 24 13.168 8.550 -6.603 141 HG2 ARG 24 1HG ARG 24 15.192 7.730 -7.440 142 HG3 ARG 24 2HG ARG 24 14.602 6.068 -7.476 143 HD2 ARG 24 1HD ARG 24 13.082 6.610 -9.278 144 HD3 ARG 24 2HD ARG 24 13.546 8.309 -9.195 145 HE ARG 24 HE ARG 24 15.341 7.810 -10.502 146 HH11 ARG 24 1HH1 ARG 24 14.277 4.890 -8.933 147 HH12 ARG 24 2HH1 ARG 24 15.410 3.876 -9.763 148 HH21 ARG 24 1HH2 ARG 24 16.837 6.485 -11.602 149 HH22 ARG 24 2HH2 ARG 24 16.866 4.784 -11.280 150 H ARG 25 H ARG 25 13.573 9.019 -3.817 151 HA ARG 25 HA ARG 25 11.590 8.551 -1.919 152 HB2 ARG 25 1HB ARG 25 12.938 10.279 -1.268 153 HB3 ARG 25 2HB ARG 25 13.059 10.940 -2.893 154 HG2 ARG 25 1HG ARG 25 11.851 12.404 -1.310 155 HG3 ARG 25 2HG ARG 25 10.889 11.939 -2.715 156 HD2 ARG 25 1HD ARG 25 9.484 10.616 -1.487 157 HD3 ARG 25 2HD ARG 25 10.712 10.250 -0.276 158 HE ARG 25 HE ARG 25 8.782 12.300 -0.134 159 HH11 ARG 25 1HH1 ARG 25 12.138 11.679 0.553 160 HH12 ARG 25 2HH1 ARG 25 12.227 12.846 1.831 161 HH21 ARG 25 1HH2 ARG 25 8.886 13.839 1.547 162 HH22 ARG 25 2HH2 ARG 25 10.376 14.073 2.396 163 H SER 26 H SER 26 11.366 10.779 -4.701 164 HA SER 26 HA SER 26 8.680 11.375 -4.511 165 HB2 SER 26 1HB SER 26 9.868 12.658 -6.064 166 HB3 SER 26 2HB SER 26 10.566 11.239 -6.847 167 HG SER 26 HG SER 26 8.586 10.806 -7.780 168 H HIS 27 H HIS 27 10.221 8.551 -5.911 169 HA HIS 27 HA HIS 27 8.039 7.482 -7.295 170 HB2 HIS 27 1HB HIS 27 10.560 6.392 -6.153 171 HB3 HIS 27 2HB HIS 27 9.300 5.236 -6.576 172 HD1 HIS 27 HD1 HIS 27 11.201 4.478 -8.360 173 HD2 HIS 27 HD2 HIS 27 9.338 8.128 -9.044 174 HE1 HIS 27 HE1 HIS 27 11.666 5.029 -10.769 175 H LEU 28 H LEU 28 8.920 7.336 -3.898 176 HA LEU 28 HA LEU 28 6.817 5.455 -3.265 177 HB2 LEU 28 1HB LEU 28 8.634 5.154 -1.879 178 HB3 LEU 28 2HB LEU 28 8.939 6.883 -1.732 179 HG LEU 28 HG LEU 28 6.760 6.937 -0.360 180 HD11 LEU 28 1HD1 LEU 28 5.666 5.036 -0.058 181 HD12 LEU 28 2HD1 LEU 28 7.086 4.340 0.721 182 HD13 LEU 28 3HD1 LEU 28 6.867 4.176 -1.021 183 HD21 LEU 28 3HD2 LEU 28 8.035 6.949 1.507 184 HD22 LEU 28 1HD2 LEU 28 9.350 6.864 0.334 185 HD23 LEU 28 2HD2 LEU 28 8.789 5.397 1.136 186 H ALA 29 H ALA 29 7.508 8.880 -2.609 187 HA ALA 29 HA ALA 29 5.462 9.674 -1.058 188 HB1 ALA 29 3HB ALA 29 6.290 11.137 -3.561 189 HB2 ALA 29 1HB ALA 29 5.521 11.836 -2.136 190 HB3 ALA 29 2HB ALA 29 7.156 11.183 -2.026 191 H GLY 30 H GLY 30 5.211 8.895 -4.498 192 HA2 GLY 30 1HA GLY 30 2.495 9.687 -4.780 193 HA3 GLY 30 2HA GLY 30 3.386 8.641 -5.875 194 H HIS 31 H HIS 31 4.047 6.652 -3.899 195 HA HIS 31 HA HIS 31 1.834 4.960 -4.154 196 HB2 HIS 31 1HB HIS 31 4.023 4.019 -3.845 197 HB3 HIS 31 2HB HIS 31 4.213 4.834 -2.295 198 HD1 HIS 31 HD1 HIS 31 2.312 2.002 -3.903 199 HD2 HIS 31 HD2 HIS 31 3.199 3.479 -0.123 200 HE1 HIS 31 HE1 HIS 31 1.522 0.241 -2.291 201 H LEU 32 H LEU 32 2.513 7.420 -1.866 202 HA LEU 32 HA LEU 32 0.610 6.380 0.084 203 HB2 LEU 32 1HB LEU 32 2.268 8.898 0.118 204 HB3 LEU 32 2HB LEU 32 1.273 8.303 1.445 205 HG LEU 32 HG LEU 32 3.308 7.582 2.155 206 HD11 LEU 32 1HD1 LEU 32 3.664 5.204 1.493 207 HD12 LEU 32 2HD1 LEU 32 2.407 5.410 0.273 208 HD13 LEU 32 3HD1 LEU 32 2.012 5.583 1.983 209 HD21 LEU 32 3HD2 LEU 32 4.165 8.352 -0.319 210 HD22 LEU 32 1HD2 LEU 32 4.485 6.617 -0.343 211 HD23 LEU 32 2HD2 LEU 32 5.180 7.625 0.927 212 H ARG 33 H ARG 33 0.865 8.779 -2.417 213 HA ARG 33 HA ARG 33 -1.201 10.509 -1.708 214 HB2 ARG 33 1HB ARG 33 -0.227 9.639 -4.432 215 HB3 ARG 33 2HB ARG 33 -1.384 10.939 -4.182 216 HG2 ARG 33 1HG ARG 33 0.345 12.059 -2.742 217 HG3 ARG 33 2HG ARG 33 1.487 10.837 -3.304 218 HD2 ARG 33 1HD ARG 33 0.747 11.559 -5.667 219 HD3 ARG 33 2HD ARG 33 0.107 12.992 -4.863 220 HE ARG 33 HE ARG 33 2.632 12.906 -3.951 221 HH11 ARG 33 1HH1 ARG 33 1.292 12.680 -7.157 222 HH12 ARG 33 2HH1 ARG 33 2.674 13.389 -7.925 223 HH21 ARG 33 1HH2 ARG 33 4.457 13.840 -4.952 224 HH22 ARG 33 2HH2 ARG 33 4.474 14.047 -6.670 225 H LEU 34 H LEU 34 -1.293 7.300 -3.058 226 HA LEU 34 HA LEU 34 -4.072 7.438 -3.808 227 HB2 LEU 34 1HB LEU 34 -3.847 5.089 -4.342 228 HB3 LEU 34 2HB LEU 34 -2.506 6.009 -5.021 229 HG LEU 34 HG LEU 34 -1.264 5.227 -2.851 230 HD11 LEU 34 1HD1 LEU 34 -2.274 2.694 -2.706 231 HD12 LEU 34 2HD1 LEU 34 -3.737 3.672 -2.817 232 HD13 LEU 34 3HD1 LEU 34 -2.568 3.978 -1.533 233 HD21 LEU 34 3HD2 LEU 34 -1.769 3.817 -5.416 234 HD22 LEU 34 1HD2 LEU 34 -0.875 2.962 -4.160 235 HD23 LEU 34 2HD2 LEU 34 -0.276 4.503 -4.774 236 H HIS 35 H HIS 35 -2.207 6.412 -1.044 237 HA HIS 35 HA HIS 35 -4.105 4.820 0.255 238 HB2 HIS 35 1HB HIS 35 -1.712 6.372 1.094 239 HB3 HIS 35 2HB HIS 35 -2.831 5.877 2.360 240 HD1 HIS 35 HD1 HIS 35 -3.424 3.152 2.194 241 HD2 HIS 35 HD2 HIS 35 0.156 4.498 0.569 242 HE1 HIS 35 HE1 HIS 35 -1.960 1.116 2.014 243 H SER 36 H SER 36 -3.653 8.315 0.213 244 HA SER 36 HA SER 36 -5.776 8.752 2.131 245 HB2 SER 36 1HB SER 36 -3.941 10.557 0.574 246 HB3 SER 36 2HB SER 36 -5.335 11.211 1.433 247 HG SER 36 HG SER 36 -3.593 9.484 2.788 248 H ARG 37 H ARG 37 -6.461 7.354 -0.312 249 HA ARG 37 HA ARG 37 -7.999 9.256 -1.879 250 HB2 ARG 37 1HB ARG 37 -6.767 7.317 -2.907 251 HB3 ARG 37 2HB ARG 37 -7.929 6.248 -2.133 252 HG2 ARG 37 1HG ARG 37 -9.689 6.997 -3.468 253 HG3 ARG 37 2HG ARG 37 -8.817 8.451 -3.957 254 HD2 ARG 37 1HD ARG 37 -7.573 7.346 -5.521 255 HD3 ARG 37 2HD ARG 37 -7.622 5.821 -4.639 256 HE ARG 37 HE ARG 37 -10.173 6.097 -5.415 257 HH11 ARG 37 1HH1 ARG 37 -7.169 6.394 -7.150 258 HH12 ARG 37 2HH1 ARG 37 -7.840 5.875 -8.661 259 HH21 ARG 37 1HH2 ARG 37 -11.068 5.412 -7.398 260 HH22 ARG 37 2HH2 ARG 37 -10.058 5.317 -8.801 261 H GLU 38 H GLU 38 -10.043 9.766 -1.474 262 HA GLU 38 HA GLU 38 -12.039 9.853 -0.350 263 HB2 GLU 38 1HB GLU 38 -12.186 7.994 -2.197 264 HB3 GLU 38 2HB GLU 38 -12.287 6.907 -0.819 265 HG2 GLU 38 1HG GLU 38 -14.106 9.271 -1.089 266 HG3 GLU 38 2HG GLU 38 -14.465 7.728 -1.862 267 H LYS 39 H LYS 39 -9.853 9.478 1.398 268 HA LYS 39 HA LYS 39 -10.199 7.398 3.250 269 HB2 LYS 39 1HB LYS 39 -8.302 9.227 2.935 270 HB3 LYS 39 2HB LYS 39 -9.228 10.063 4.175 271 HG2 LYS 39 1HG LYS 39 -9.070 7.691 5.354 272 HG3 LYS 39 2HG LYS 39 -7.622 7.580 4.350 273 HD2 LYS 39 1HD LYS 39 -6.653 9.476 5.357 274 HD3 LYS 39 2HD LYS 39 -8.184 9.971 6.085 275 HE2 LYS 39 1HE LYS 39 -7.037 7.320 6.814 276 HE3 LYS 39 2HE LYS 39 -6.314 8.772 7.504 277 HZ1 LYS 39 3HZ LYS 39 -8.555 7.454 8.404 278 HZ2 LYS 39 1HZ LYS 39 -9.146 8.864 7.680 279 HZ3 LYS 39 2HZ LYS 39 -7.995 8.967 8.914 280 H SER 40 H SER 40 -12.181 7.035 4.078 281 HA SER 40 HA SER 40 -14.267 7.497 4.967 282 HB2 SER 40 1HB SER 40 -12.663 7.181 6.876 283 HB3 SER 40 2HB SER 40 -12.520 8.936 6.976 284 HG SER 40 HG SER 40 -14.666 9.069 7.527 285 H SER 41 H SER 41 -13.750 9.349 2.951 286 HA SER 41 HA SER 41 -14.168 12.025 3.869 287 HB2 SER 41 1HB SER 41 -14.491 10.817 1.112 288 HB3 SER 41 2HB SER 41 -14.518 12.543 1.471 289 HG SER 41 HG SER 41 -12.385 12.426 2.106 290 H GLY 42 H GLY 42 -16.045 13.306 3.629 291 HA2 GLY 42 1HA GLY 42 -18.352 13.616 3.130 292 HA3 GLY 42 2HA GLY 42 -18.553 11.870 3.116 293 HA PRO 43 HA PRO 43 -20.383 12.432 7.103 294 HB2 PRO 43 1HB PRO 43 -20.628 9.802 7.727 295 HB3 PRO 43 2HB PRO 43 -21.694 10.620 6.579 296 HG2 PRO 43 1HG PRO 43 -19.313 8.885 6.047 297 HG3 PRO 43 2HG PRO 43 -20.887 8.906 5.231 298 HD2 PRO 43 1HD PRO 43 -18.691 10.099 4.190 299 HD3 PRO 43 2HD PRO 43 -20.331 10.727 3.932 300 H SER 44 H SER 44 -19.920 11.981 9.340 301 HA SER 44 HA SER 44 -17.117 11.978 9.902 302 HB2 SER 44 1HB SER 44 -18.893 13.271 11.176 303 HB3 SER 44 2HB SER 44 -19.353 11.740 11.921 304 HG SER 44 HG SER 44 -16.731 11.952 12.132 305 H SER 45 H SER 45 -19.767 9.804 10.890 306 HA SER 45 HA SER 45 -18.075 7.854 12.034 307 HB2 SER 45 1HB SER 45 -20.521 8.099 12.513 308 HB3 SER 45 2HB SER 45 -20.855 7.429 10.916 309 HG SER 45 HG SER 45 -20.909 5.719 12.284 310 H GLY 46 H GLY 46 -16.936 6.237 11.163 311 HA2 GLY 46 1HA GLY 46 -17.350 4.514 9.199 312 HA3 GLY 46 2HA GLY 46 -16.977 5.949 8.256 Start of MODEL 8 1 H1 GLY 1 H GLY 1 2.487 -18.933 15.730 2 HA2 GLY 1 1HA GLY 1 4.417 -20.952 15.562 3 HA3 GLY 1 2HA GLY 1 2.925 -21.588 14.885 4 H SER 2 H SER 2 5.280 -18.967 14.611 5 HA SER 2 HA SER 2 4.451 -18.614 11.806 6 HB2 SER 2 1HB SER 2 5.663 -16.681 13.780 7 HB3 SER 2 2HB SER 2 5.663 -16.369 12.044 8 HG SER 2 HG SER 2 3.691 -15.717 12.269 9 H SER 3 H SER 3 6.070 -18.368 10.211 10 HA SER 3 HA SER 3 8.733 -19.343 11.011 11 HB2 SER 3 1HB SER 3 7.278 -21.040 9.794 12 HB3 SER 3 2HB SER 3 7.406 -19.997 8.377 13 HG SER 3 HG SER 3 9.619 -21.076 9.790 14 H GLY 4 H GLY 4 8.136 -16.636 10.852 15 HA2 GLY 4 1HA GLY 4 8.712 -14.669 9.792 16 HA3 GLY 4 2HA GLY 4 10.183 -15.555 9.418 17 H SER 5 H SER 5 10.596 -14.862 7.387 18 HA SER 5 HA SER 5 10.463 -14.816 5.113 19 HB2 SER 5 1HB SER 5 9.561 -17.158 5.424 20 HB3 SER 5 2HB SER 5 7.941 -16.466 5.354 21 HG SER 5 HG SER 5 9.534 -17.132 3.336 22 H SER 6 H SER 6 9.434 -12.695 6.576 23 HA SER 6 HA SER 6 6.836 -11.905 5.834 24 HB2 SER 6 1HB SER 6 7.648 -9.591 6.421 25 HB3 SER 6 2HB SER 6 7.907 -10.801 7.677 26 HG SER 6 HG SER 6 9.717 -9.287 6.964 27 H GLY 7 H GLY 7 10.005 -11.037 4.456 28 HA2 GLY 7 1HA GLY 7 9.539 -11.198 1.824 29 HA3 GLY 7 2HA GLY 7 8.723 -9.693 2.222 30 H SER 8 H SER 8 11.494 -10.893 1.015 31 HA SER 8 HA SER 8 13.390 -9.174 2.335 32 HB2 SER 8 1HB SER 8 15.026 -10.135 0.924 33 HB3 SER 8 2HB SER 8 13.887 -11.443 1.241 34 HG SER 8 HG SER 8 14.623 -10.461 -1.101 35 H GLY 9 H GLY 9 14.116 -7.213 1.701 36 HA2 GLY 9 1HA GLY 9 14.061 -6.125 -0.855 37 HA3 GLY 9 2HA GLY 9 12.542 -5.677 -0.093 38 H GLU 10 H GLU 10 15.967 -5.178 -0.180 39 HA GLU 10 HA GLU 10 15.894 -3.324 2.066 40 HB2 GLU 10 1HB GLU 10 18.119 -4.369 0.322 41 HB3 GLU 10 2HB GLU 10 18.366 -3.072 1.483 42 HG2 GLU 10 1HG GLU 10 17.128 -5.618 2.400 43 HG3 GLU 10 2HG GLU 10 18.866 -5.556 2.115 44 H ARG 11 H ARG 11 14.673 -1.606 1.331 45 HA ARG 11 HA ARG 11 15.771 -0.128 -0.970 46 HB2 ARG 11 1HB ARG 11 12.973 -0.367 0.103 47 HB3 ARG 11 2HB ARG 11 13.443 0.996 -0.905 48 HG2 ARG 11 1HG ARG 11 13.855 -1.845 -1.776 49 HG3 ARG 11 2HG ARG 11 12.342 -0.981 -2.055 50 HD2 ARG 11 1HD ARG 11 13.623 0.783 -3.234 51 HD3 ARG 11 2HD ARG 11 15.081 -0.187 -3.033 52 HE ARG 11 HE ARG 11 12.913 -1.562 -4.341 53 HH11 ARG 11 1HH1 ARG 11 15.699 0.484 -4.757 54 HH12 ARG 11 2HH1 ARG 11 15.949 0.030 -6.410 55 HH21 ARG 11 1HH2 ARG 11 13.231 -2.168 -6.517 56 HH22 ARG 11 2HH2 ARG 11 14.544 -1.478 -7.410 57 HA PRO 12 HA PRO 12 16.821 3.264 1.608 58 HB2 PRO 12 1HB PRO 12 16.298 5.373 -0.020 59 HB3 PRO 12 2HB PRO 12 17.668 4.285 -0.269 60 HG2 PRO 12 1HG PRO 12 14.997 4.307 -1.621 61 HG3 PRO 12 2HG PRO 12 16.607 4.079 -2.328 62 HD2 PRO 12 1HD PRO 12 14.937 2.012 -1.809 63 HD3 PRO 12 2HD PRO 12 16.703 1.861 -1.707 64 H PHE 13 H PHE 13 13.627 3.191 0.182 65 HA PHE 13 HA PHE 13 12.626 4.741 2.474 66 HB2 PHE 13 1HB PHE 13 11.813 4.983 -0.423 67 HB3 PHE 13 2HB PHE 13 10.835 5.612 0.899 68 HD1 PHE 13 HD1 PHE 13 14.288 5.783 -0.484 69 HD2 PHE 13 HD2 PHE 13 11.173 7.774 1.625 70 HE1 PHE 13 HE1 PHE 13 15.605 7.861 -0.507 71 HE2 PHE 13 HE2 PHE 13 12.485 9.855 1.605 72 HZ PHE 13 HZ PHE 13 14.704 9.901 0.538 73 H LYS 14 H LYS 14 10.305 4.349 2.924 74 HA LYS 14 HA LYS 14 9.176 1.888 1.891 75 HB2 LYS 14 1HB LYS 14 10.554 0.961 3.619 76 HB3 LYS 14 2HB LYS 14 10.035 2.186 4.770 77 HG2 LYS 14 1HG LYS 14 7.828 1.252 4.859 78 HG3 LYS 14 2HG LYS 14 8.213 0.115 3.564 79 HD2 LYS 14 1HD LYS 14 9.942 0.091 5.978 80 HD3 LYS 14 2HD LYS 14 8.313 -0.570 6.132 81 HE2 LYS 14 1HE LYS 14 8.766 -2.036 4.195 82 HE3 LYS 14 2HE LYS 14 10.414 -1.415 4.139 83 HZ1 LYS 14 3HZ LYS 14 10.770 -3.231 5.412 84 HZ2 LYS 14 1HZ LYS 14 9.192 -3.273 6.021 85 HZ3 LYS 14 2HZ LYS 14 10.315 -2.182 6.659 86 H CYS 15 H CYS 15 7.000 1.455 2.914 87 HA CYS 15 HA CYS 15 5.659 4.027 3.401 88 HB2 CYS 15 1HB CYS 15 4.874 2.893 1.400 89 HB3 CYS 15 2HB CYS 15 4.572 1.421 2.317 90 H ASN 16 H ASN 16 4.861 4.415 5.352 91 HA ASN 16 HA ASN 16 4.870 2.328 7.356 92 HB2 ASN 16 1HB ASN 16 4.014 5.215 7.642 93 HB3 ASN 16 2HB ASN 16 4.412 4.097 8.943 94 HD21 ASN 16 1HD2 ASN 16 5.545 6.723 7.978 95 HD22 ASN 16 2HD2 ASN 16 7.243 6.430 7.856 96 H GLU 17 H GLU 17 2.890 2.404 5.077 97 HA GLU 17 HA GLU 17 0.414 2.440 6.671 98 HB2 GLU 17 1HB GLU 17 0.533 2.499 3.664 99 HB3 GLU 17 2HB GLU 17 -0.811 2.932 4.710 100 HG2 GLU 17 1HG GLU 17 1.749 4.472 4.803 101 HG3 GLU 17 2HG GLU 17 0.540 4.798 3.561 102 H CYS 18 H CYS 18 1.903 0.730 3.918 103 HA CYS 18 HA CYS 18 0.520 -1.714 4.814 104 HB2 CYS 18 1HB CYS 18 0.715 -2.488 2.458 105 HB3 CYS 18 2HB CYS 18 -0.267 -1.036 2.628 106 H GLY 19 H GLY 19 3.525 -0.433 3.438 107 HA2 GLY 19 1HA GLY 19 5.543 -1.313 4.672 108 HA3 GLY 19 2HA GLY 19 4.881 -2.903 4.324 109 H LYS 20 H LYS 20 4.543 -0.441 1.932 110 HA LYS 20 HA LYS 20 6.070 -1.967 0.047 111 HB2 LYS 20 1HB LYS 20 3.990 -0.599 -0.461 112 HB3 LYS 20 2HB LYS 20 5.006 0.831 -0.334 113 HG2 LYS 20 1HG LYS 20 4.705 0.158 -2.651 114 HG3 LYS 20 2HG LYS 20 6.396 0.025 -2.162 115 HD2 LYS 20 1HD LYS 20 6.338 -2.295 -2.137 116 HD3 LYS 20 2HD LYS 20 4.582 -2.348 -1.972 117 HE2 LYS 20 1HE LYS 20 5.041 -3.017 -4.187 118 HE3 LYS 20 2HE LYS 20 4.470 -1.353 -4.297 119 HZ1 LYS 20 3HZ LYS 20 6.308 -1.276 -5.627 120 HZ2 LYS 20 1HZ LYS 20 7.166 -2.425 -4.729 121 HZ3 LYS 20 2HZ LYS 20 7.011 -0.843 -4.150 122 H GLY 21 H GLY 21 7.846 -1.094 -1.235 123 HA2 GLY 21 1HA GLY 21 9.413 0.987 0.128 124 HA3 GLY 21 2HA GLY 21 10.152 -0.578 -0.177 125 H PHE 22 H PHE 22 10.594 2.280 -1.180 126 HA PHE 22 HA PHE 22 10.842 1.526 -4.008 127 HB2 PHE 22 1HB PHE 22 9.986 4.260 -3.035 128 HB3 PHE 22 2HB PHE 22 10.199 3.767 -4.712 129 HD1 PHE 22 HD2 PHE 22 8.267 2.845 -1.663 130 HD2 PHE 22 HD1 PHE 22 8.363 3.072 -5.912 131 HE1 PHE 22 HE2 PHE 22 5.911 2.143 -1.750 132 HE2 PHE 22 HE1 PHE 22 6.006 2.371 -6.006 133 HZ PHE 22 HZ PHE 22 4.777 1.905 -3.924 134 H GLY 23 H GLY 23 12.436 2.909 -5.181 135 HA2 GLY 23 1HA GLY 23 14.785 3.257 -3.487 136 HA3 GLY 23 2HA GLY 23 14.763 3.224 -5.244 137 H ARG 24 H ARG 24 12.764 5.177 -5.665 138 HA ARG 24 HA ARG 24 14.320 7.567 -5.018 139 HB2 ARG 24 1HB ARG 24 12.249 6.925 -7.097 140 HB3 ARG 24 2HB ARG 24 12.651 8.594 -6.718 141 HG2 ARG 24 1HG ARG 24 13.966 8.023 -8.576 142 HG3 ARG 24 2HG ARG 24 15.058 7.983 -7.190 143 HD2 ARG 24 1HD ARG 24 14.574 5.491 -7.075 144 HD3 ARG 24 2HD ARG 24 13.828 5.668 -8.663 145 HE ARG 24 HE ARG 24 16.264 6.773 -9.017 146 HH11 ARG 24 1HH1 ARG 24 15.206 3.730 -7.698 147 HH12 ARG 24 2HH1 ARG 24 16.631 2.874 -8.186 148 HH21 ARG 24 1HH2 ARG 24 18.145 5.657 -9.665 149 HH22 ARG 24 2HH2 ARG 24 18.302 3.971 -9.304 150 H ARG 25 H ARG 25 13.578 9.199 -3.775 151 HA ARG 25 HA ARG 25 11.628 8.810 -1.866 152 HB2 ARG 25 1HB ARG 25 13.440 10.601 -1.944 153 HB3 ARG 25 2HB ARG 25 12.341 11.530 -2.954 154 HG2 ARG 25 1HG ARG 25 11.836 10.617 -0.130 155 HG3 ARG 25 2HG ARG 25 12.189 12.263 -0.661 156 HD2 ARG 25 1HD ARG 25 10.088 11.817 -2.210 157 HD3 ARG 25 2HD ARG 25 9.699 10.662 -0.936 158 HE ARG 25 HE ARG 25 9.678 13.548 -0.742 159 HH11 ARG 25 1HH1 ARG 25 9.699 10.512 0.961 160 HH12 ARG 25 2HH1 ARG 25 9.044 11.177 2.420 161 HH21 ARG 25 1HH2 ARG 25 8.815 14.435 1.174 162 HH22 ARG 25 2HH2 ARG 25 8.541 13.408 2.540 163 H SER 26 H SER 26 11.335 10.549 -4.951 164 HA SER 26 HA SER 26 8.628 11.284 -4.617 165 HB2 SER 26 1HB SER 26 10.394 12.165 -6.310 166 HB3 SER 26 2HB SER 26 9.868 10.816 -7.317 167 HG SER 26 HG SER 26 7.965 12.551 -6.190 168 H HIS 27 H HIS 27 10.187 8.449 -5.997 169 HA HIS 27 HA HIS 27 8.016 7.277 -7.278 170 HB2 HIS 27 1HB HIS 27 10.525 6.237 -6.044 171 HB3 HIS 27 2HB HIS 27 9.280 5.078 -6.499 172 HD1 HIS 27 HD1 HIS 27 11.134 4.236 -8.242 173 HD2 HIS 27 HD2 HIS 27 9.524 7.998 -8.961 174 HE1 HIS 27 HE1 HIS 27 11.715 4.771 -10.629 175 H LEU 28 H LEU 28 8.927 7.254 -3.879 176 HA LEU 28 HA LEU 28 6.815 5.416 -3.162 177 HB2 LEU 28 1HB LEU 28 8.691 5.184 -1.813 178 HB3 LEU 28 2HB LEU 28 8.915 6.926 -1.660 179 HG LEU 28 HG LEU 28 6.800 6.932 -0.259 180 HD11 LEU 28 1HD1 LEU 28 6.823 4.194 -1.034 181 HD12 LEU 28 2HD1 LEU 28 5.632 5.061 -0.066 182 HD13 LEU 28 3HD1 LEU 28 7.011 4.289 0.717 183 HD21 LEU 28 3HD2 LEU 28 8.860 5.255 1.083 184 HD22 LEU 28 1HD2 LEU 28 8.029 6.701 1.657 185 HD23 LEU 28 2HD2 LEU 28 9.328 6.842 0.471 186 H ALA 29 H ALA 29 7.543 8.847 -2.553 187 HA ALA 29 HA ALA 29 5.496 9.696 -1.045 188 HB1 ALA 29 3HB ALA 29 6.852 11.421 -1.693 189 HB2 ALA 29 1HB ALA 29 6.848 10.935 -3.388 190 HB3 ALA 29 2HB ALA 29 5.441 11.744 -2.699 191 H GLY 30 H GLY 30 5.252 8.903 -4.489 192 HA2 GLY 30 1HA GLY 30 2.535 9.689 -4.770 193 HA3 GLY 30 2HA GLY 30 3.428 8.645 -5.866 194 H HIS 31 H HIS 31 4.090 6.650 -3.902 195 HA HIS 31 HA HIS 31 1.887 4.952 -4.160 196 HB2 HIS 31 1HB HIS 31 4.066 4.010 -3.829 197 HB3 HIS 31 2HB HIS 31 4.259 4.848 -2.292 198 HD1 HIS 31 HD1 HIS 31 2.308 2.015 -3.852 199 HD2 HIS 31 HD2 HIS 31 3.296 3.502 -0.100 200 HE1 HIS 31 HE1 HIS 31 1.533 0.273 -2.212 201 H LEU 32 H LEU 32 2.538 7.419 -1.869 202 HA LEU 32 HA LEU 32 0.622 6.376 0.066 203 HB2 LEU 32 1HB LEU 32 2.270 8.900 0.099 204 HB3 LEU 32 2HB LEU 32 1.257 8.320 1.420 205 HG LEU 32 HG LEU 32 3.262 7.583 2.177 206 HD11 LEU 32 1HD1 LEU 32 2.455 5.426 0.236 207 HD12 LEU 32 2HD1 LEU 32 1.988 5.574 1.930 208 HD13 LEU 32 3HD1 LEU 32 3.663 5.220 1.505 209 HD21 LEU 32 3HD2 LEU 32 4.502 6.686 -0.328 210 HD22 LEU 32 1HD2 LEU 32 5.176 7.625 1.004 211 HD23 LEU 32 2HD2 LEU 32 4.199 8.421 -0.229 212 H ARG 33 H ARG 33 0.880 8.766 -2.444 213 HA ARG 33 HA ARG 33 -1.202 10.485 -1.761 214 HB2 ARG 33 1HB ARG 33 -0.125 9.615 -4.439 215 HB3 ARG 33 2HB ARG 33 -1.387 10.829 -4.281 216 HG2 ARG 33 1HG ARG 33 0.322 11.957 -2.651 217 HG3 ARG 33 2HG ARG 33 1.491 10.977 -3.538 218 HD2 ARG 33 1HD ARG 33 1.499 12.898 -4.794 219 HD3 ARG 33 2HD ARG 33 0.263 11.960 -5.632 220 HE ARG 33 HE ARG 33 -1.206 13.344 -3.879 221 HH11 ARG 33 1HH1 ARG 33 1.331 14.333 -6.048 222 HH12 ARG 33 2HH1 ARG 33 0.699 15.931 -6.267 223 HH21 ARG 33 1HH2 ARG 33 -2.048 15.445 -4.159 224 HH22 ARG 33 2HH2 ARG 33 -1.222 16.563 -5.191 225 H LEU 34 H LEU 34 -1.263 7.272 -3.107 226 HA LEU 34 HA LEU 34 -4.040 7.389 -3.867 227 HB2 LEU 34 1HB LEU 34 -3.798 5.054 -4.420 228 HB3 LEU 34 2HB LEU 34 -2.440 5.973 -5.066 229 HG LEU 34 HG LEU 34 -1.245 5.172 -2.876 230 HD11 LEU 34 1HD1 LEU 34 -3.701 3.549 -2.969 231 HD12 LEU 34 2HD1 LEU 34 -2.670 3.978 -1.605 232 HD13 LEU 34 3HD1 LEU 34 -2.201 2.665 -2.685 233 HD21 LEU 34 3HD2 LEU 34 -0.178 3.566 -4.133 234 HD22 LEU 34 1HD2 LEU 34 -0.922 4.552 -5.391 235 HD23 LEU 34 2HD2 LEU 34 -1.668 3.028 -4.910 236 H HIS 35 H HIS 35 -2.238 6.631 -1.033 237 HA HIS 35 HA HIS 35 -4.147 4.957 0.240 238 HB2 HIS 35 1HB HIS 35 -1.702 6.433 1.067 239 HB3 HIS 35 2HB HIS 35 -2.829 5.971 2.339 240 HD1 HIS 35 HD1 HIS 35 -3.520 3.260 2.135 241 HD2 HIS 35 HD2 HIS 35 0.118 4.509 0.566 242 HE1 HIS 35 HE1 HIS 35 -2.117 1.181 1.953 243 H SER 36 H SER 36 -3.630 8.432 0.130 244 HA SER 36 HA SER 36 -5.431 9.119 2.201 245 HB2 SER 36 1HB SER 36 -3.876 10.789 1.576 246 HB3 SER 36 2HB SER 36 -4.290 10.652 -0.132 247 HG SER 36 HG SER 36 -5.636 12.210 0.241 248 H ARG 37 H ARG 37 -5.909 8.036 -1.001 249 HA ARG 37 HA ARG 37 -8.147 9.212 -1.954 250 HB2 ARG 37 1HB ARG 37 -6.843 7.099 -2.769 251 HB3 ARG 37 2HB ARG 37 -8.071 6.217 -1.871 252 HG2 ARG 37 1HG ARG 37 -9.811 7.351 -3.210 253 HG3 ARG 37 2HG ARG 37 -8.535 8.121 -4.155 254 HD2 ARG 37 1HD ARG 37 -8.931 6.316 -5.486 255 HD3 ARG 37 2HD ARG 37 -7.724 5.612 -4.410 256 HE ARG 37 HE ARG 37 -10.083 5.069 -3.179 257 HH11 ARG 37 1HH1 ARG 37 -8.835 4.513 -6.382 258 HH12 ARG 37 2HH1 ARG 37 -9.760 3.069 -6.633 259 HH21 ARG 37 1HH2 ARG 37 -11.306 3.170 -3.498 260 HH22 ARG 37 2HH2 ARG 37 -11.166 2.307 -4.993 261 H GLU 38 H GLU 38 -8.256 6.425 0.277 262 HA GLU 38 HA GLU 38 -11.008 7.152 0.965 263 HB2 GLU 38 1HB GLU 38 -10.379 4.790 0.281 264 HB3 GLU 38 2HB GLU 38 -9.514 4.670 1.806 265 HG2 GLU 38 1HG GLU 38 -12.407 5.430 1.718 266 HG3 GLU 38 2HG GLU 38 -11.896 3.744 1.676 267 H LYS 39 H LYS 39 -7.871 6.487 2.467 268 HA LYS 39 HA LYS 39 -8.371 6.619 5.115 269 HB2 LYS 39 1HB LYS 39 -6.124 6.388 4.597 270 HB3 LYS 39 2HB LYS 39 -6.139 7.735 3.465 271 HG2 LYS 39 1HG LYS 39 -6.594 8.286 6.354 272 HG3 LYS 39 2HG LYS 39 -4.958 7.934 5.794 273 HD2 LYS 39 1HD LYS 39 -6.559 9.918 4.266 274 HD3 LYS 39 2HD LYS 39 -5.927 10.403 5.841 275 HE2 LYS 39 1HE LYS 39 -4.175 9.127 3.764 276 HE3 LYS 39 2HE LYS 39 -4.488 10.862 3.766 277 HZ1 LYS 39 3HZ LYS 39 -3.206 11.178 5.568 278 HZ2 LYS 39 1HZ LYS 39 -2.488 9.720 5.099 279 HZ3 LYS 39 2HZ LYS 39 -3.669 9.730 6.309 280 H SER 40 H SER 40 -8.516 9.299 2.858 281 HA SER 40 HA SER 40 -9.059 11.193 5.010 282 HB2 SER 40 1HB SER 40 -7.548 11.770 3.069 283 HB3 SER 40 2HB SER 40 -8.979 11.745 2.039 284 HG SER 40 HG SER 40 -8.887 13.810 2.643 285 H SER 41 H SER 41 -11.081 10.483 5.722 286 HA SER 41 HA SER 41 -13.282 10.518 3.793 287 HB2 SER 41 1HB SER 41 -12.875 9.335 6.497 288 HB3 SER 41 2HB SER 41 -14.516 9.797 6.049 289 HG SER 41 HG SER 41 -12.875 7.803 5.010 290 H GLY 42 H GLY 42 -14.554 12.235 3.586 291 HA2 GLY 42 1HA GLY 42 -14.734 14.119 5.855 292 HA3 GLY 42 2HA GLY 42 -14.531 14.680 4.202 293 HA PRO 43 HA PRO 43 -19.098 13.968 5.470 294 HB2 PRO 43 1HB PRO 43 -19.775 16.494 6.198 295 HB3 PRO 43 2HB PRO 43 -19.189 15.287 7.349 296 HG2 PRO 43 1HG PRO 43 -17.697 17.515 6.018 297 HG3 PRO 43 2HG PRO 43 -17.631 16.976 7.706 298 HD2 PRO 43 1HD PRO 43 -15.748 16.293 5.884 299 HD3 PRO 43 2HD PRO 43 -16.213 15.224 7.223 300 H SER 44 H SER 44 -17.198 15.621 3.330 301 HA SER 44 HA SER 44 -19.134 17.199 1.961 302 HB2 SER 44 1HB SER 44 -16.708 17.625 1.780 303 HB3 SER 44 2HB SER 44 -16.507 16.083 0.947 304 HG SER 44 HG SER 44 -16.667 17.760 -0.556 305 H SER 45 H SER 45 -20.929 16.068 1.378 306 HA SER 45 HA SER 45 -20.705 13.512 0.037 307 HB2 SER 45 1HB SER 45 -22.547 13.809 1.583 308 HB3 SER 45 2HB SER 45 -23.102 15.235 0.707 309 HG SER 45 HG SER 45 -22.934 12.643 -0.432 310 H GLY 46 H GLY 46 -21.793 16.796 -0.777 311 HA2 GLY 46 1HA GLY 46 -22.277 16.117 -3.533 312 HA3 GLY 46 2HA GLY 46 -22.333 17.726 -2.828 Start of MODEL 9 1 H1 GLY 1 H GLY 1 8.367 -9.033 13.791 2 HA2 GLY 1 1HA GLY 1 7.527 -10.874 12.695 3 HA3 GLY 1 2HA GLY 1 8.277 -10.145 11.283 4 H SER 2 H SER 2 8.552 -12.359 10.551 5 HA SER 2 HA SER 2 10.704 -13.810 11.928 6 HB2 SER 2 1HB SER 2 9.987 -15.731 10.458 7 HB3 SER 2 2HB SER 2 8.767 -15.190 11.610 8 HG SER 2 HG SER 2 7.667 -15.292 9.752 9 H SER 3 H SER 3 9.638 -13.083 8.602 10 HA SER 3 HA SER 3 12.327 -12.346 7.850 11 HB2 SER 3 1HB SER 3 11.002 -14.779 6.628 12 HB3 SER 3 2HB SER 3 12.450 -14.000 5.991 13 HG SER 3 HG SER 3 12.960 -15.772 7.343 14 H GLY 4 H GLY 4 12.216 -10.714 6.453 15 HA2 GLY 4 1HA GLY 4 9.701 -10.364 4.945 16 HA3 GLY 4 2HA GLY 4 10.703 -9.039 5.518 17 H SER 5 H SER 5 11.393 -12.026 3.699 18 HA SER 5 HA SER 5 13.146 -10.548 1.930 19 HB2 SER 5 1HB SER 5 13.923 -12.715 2.609 20 HB3 SER 5 2HB SER 5 12.413 -13.476 2.111 21 HG SER 5 HG SER 5 13.798 -12.059 0.164 22 H SER 6 H SER 6 10.118 -12.376 1.687 23 HA SER 6 HA SER 6 9.814 -11.766 -1.116 24 HB2 SER 6 1HB SER 6 7.627 -12.917 -0.875 25 HB3 SER 6 2HB SER 6 8.968 -13.888 -0.268 26 HG SER 6 HG SER 6 6.793 -12.982 1.040 27 H GLY 7 H GLY 7 10.109 -9.426 0.349 28 HA2 GLY 7 1HA GLY 7 7.607 -8.101 -0.319 29 HA3 GLY 7 2HA GLY 7 8.082 -8.018 1.371 30 H SER 8 H SER 8 8.633 -5.934 1.630 31 HA SER 8 HA SER 8 10.744 -4.880 -0.135 32 HB2 SER 8 1HB SER 8 8.432 -3.366 1.100 33 HB3 SER 8 2HB SER 8 9.776 -2.614 0.241 34 HG SER 8 HG SER 8 9.149 -3.895 -1.595 35 H GLY 9 H GLY 9 12.547 -4.211 0.848 36 HA2 GLY 9 1HA GLY 9 12.579 -3.071 3.466 37 HA3 GLY 9 2HA GLY 9 13.146 -4.734 3.487 38 H GLU 10 H GLU 10 14.318 -4.532 0.801 39 HA GLU 10 HA GLU 10 16.844 -3.369 1.612 40 HB2 GLU 10 1HB GLU 10 16.022 -4.910 -0.853 41 HB3 GLU 10 2HB GLU 10 17.653 -4.322 -0.563 42 HG2 GLU 10 1HG GLU 10 17.724 -5.673 1.508 43 HG3 GLU 10 2HG GLU 10 16.141 -6.328 1.092 44 H ARG 11 H ARG 11 14.882 -1.426 1.310 45 HA ARG 11 HA ARG 11 15.865 0.018 -1.061 46 HB2 ARG 11 1HB ARG 11 13.084 -0.397 -0.093 47 HB3 ARG 11 2HB ARG 11 13.481 1.189 -0.741 48 HG2 ARG 11 1HG ARG 11 12.648 0.018 -2.568 49 HG3 ARG 11 2HG ARG 11 14.399 -0.073 -2.767 50 HD2 ARG 11 1HD ARG 11 14.242 -2.302 -1.525 51 HD3 ARG 11 2HD ARG 11 12.506 -2.203 -1.821 52 HE ARG 11 HE ARG 11 14.575 -2.765 -3.754 53 HH11 ARG 11 1HH1 ARG 11 11.292 -1.726 -3.241 54 HH12 ARG 11 2HH1 ARG 11 10.765 -2.171 -4.830 55 HH21 ARG 11 1HH2 ARG 11 13.894 -3.356 -5.849 56 HH22 ARG 11 2HH2 ARG 11 12.246 -3.099 -6.312 57 HA PRO 12 HA PRO 12 16.960 3.346 1.579 58 HB2 PRO 12 1HB PRO 12 16.356 5.511 0.055 59 HB3 PRO 12 2HB PRO 12 17.724 4.445 -0.289 60 HG2 PRO 12 1HG PRO 12 15.002 4.496 -1.533 61 HG3 PRO 12 2HG PRO 12 16.584 4.308 -2.311 62 HD2 PRO 12 1HD PRO 12 14.951 2.208 -1.808 63 HD3 PRO 12 2HD PRO 12 16.720 2.069 -1.781 64 H PHE 13 H PHE 13 13.729 3.467 0.173 65 HA PHE 13 HA PHE 13 12.806 4.894 2.581 66 HB2 PHE 13 1HB PHE 13 11.872 5.154 -0.277 67 HB3 PHE 13 2HB PHE 13 10.928 5.741 1.088 68 HD1 PHE 13 HD1 PHE 13 14.211 6.075 -0.599 69 HD2 PHE 13 HD2 PHE 13 11.356 7.835 2.022 70 HE1 PHE 13 HE1 PHE 13 15.480 8.183 -0.637 71 HE2 PHE 13 HE2 PHE 13 12.620 9.945 1.987 72 HZ PHE 13 HZ PHE 13 14.685 10.122 0.656 73 H LYS 14 H LYS 14 10.441 4.510 3.028 74 HA LYS 14 HA LYS 14 9.350 2.007 2.073 75 HB2 LYS 14 1HB LYS 14 10.931 1.370 3.913 76 HB3 LYS 14 2HB LYS 14 9.952 2.328 5.017 77 HG2 LYS 14 1HG LYS 14 7.999 0.867 4.320 78 HG3 LYS 14 2HG LYS 14 9.197 -0.189 3.569 79 HD2 LYS 14 1HD LYS 14 10.364 -0.218 5.827 80 HD3 LYS 14 2HD LYS 14 8.900 0.522 6.477 81 HE2 LYS 14 1HE LYS 14 8.498 -1.722 6.835 82 HE3 LYS 14 2HE LYS 14 7.696 -1.453 5.288 83 HZ1 LYS 14 3HZ LYS 14 10.087 -2.131 4.422 84 HZ2 LYS 14 1HZ LYS 14 8.893 -3.282 4.760 85 HZ3 LYS 14 2HZ LYS 14 10.113 -2.971 5.890 86 H CYS 15 H CYS 15 7.158 1.639 2.810 87 HA CYS 15 HA CYS 15 5.804 4.168 3.406 88 HB2 CYS 15 1HB CYS 15 4.927 3.180 1.445 89 HB3 CYS 15 2HB CYS 15 4.886 1.577 2.173 90 H ASN 16 H ASN 16 4.312 4.380 5.067 91 HA ASN 16 HA ASN 16 4.647 2.459 7.244 92 HB2 ASN 16 1HB ASN 16 3.428 5.230 7.232 93 HB3 ASN 16 2HB ASN 16 3.646 4.223 8.660 94 HD21 ASN 16 1HD2 ASN 16 5.090 6.411 6.487 95 HD22 ASN 16 2HD2 ASN 16 6.667 6.434 7.194 96 H GLU 17 H GLU 17 2.267 3.659 5.021 97 HA GLU 17 HA GLU 17 -0.090 2.952 6.331 98 HB2 GLU 17 1HB GLU 17 0.395 2.740 3.358 99 HB3 GLU 17 2HB GLU 17 -1.146 2.981 4.168 100 HG2 GLU 17 1HG GLU 17 1.097 4.959 4.388 101 HG3 GLU 17 2HG GLU 17 -0.075 5.003 3.072 102 H CYS 18 H CYS 18 1.696 1.050 3.897 103 HA CYS 18 HA CYS 18 0.517 -1.379 5.080 104 HB2 CYS 18 1HB CYS 18 0.668 -2.418 2.860 105 HB3 CYS 18 2HB CYS 18 -0.336 -0.973 2.821 106 H GLY 19 H GLY 19 3.366 -0.014 3.472 107 HA2 GLY 19 1HA GLY 19 5.477 -0.550 4.754 108 HA3 GLY 19 2HA GLY 19 4.961 -2.224 4.612 109 H LYS 20 H LYS 20 4.276 -0.223 1.922 110 HA LYS 20 HA LYS 20 5.771 -1.784 0.135 111 HB2 LYS 20 1HB LYS 20 3.792 -0.386 -0.466 112 HB3 LYS 20 2HB LYS 20 4.798 1.046 -0.290 113 HG2 LYS 20 1HG LYS 20 4.682 0.554 -2.601 114 HG3 LYS 20 2HG LYS 20 6.298 0.095 -2.059 115 HD2 LYS 20 1HD LYS 20 5.629 -1.698 -3.395 116 HD3 LYS 20 2HD LYS 20 5.302 -2.256 -1.752 117 HE2 LYS 20 1HE LYS 20 2.978 -1.836 -1.981 118 HE3 LYS 20 2HE LYS 20 3.219 -0.941 -3.481 119 HZ1 LYS 20 3HZ LYS 20 3.687 -3.850 -3.104 120 HZ2 LYS 20 1HZ LYS 20 3.938 -2.994 -4.542 121 HZ3 LYS 20 2HZ LYS 20 2.375 -3.155 -3.916 122 H GLY 21 H GLY 21 7.552 -1.076 -1.254 123 HA2 GLY 21 1HA GLY 21 9.324 0.897 0.030 124 HA3 GLY 21 2HA GLY 21 9.930 -0.705 -0.362 125 H PHE 22 H PHE 22 10.652 2.052 -1.313 126 HA PHE 22 HA PHE 22 10.649 1.390 -4.164 127 HB2 PHE 22 1HB PHE 22 9.952 4.131 -3.088 128 HB3 PHE 22 2HB PHE 22 10.113 3.697 -4.786 129 HD1 PHE 22 HD2 PHE 22 8.160 2.906 -1.727 130 HD2 PHE 22 HD1 PHE 22 8.271 2.950 -5.982 131 HE1 PHE 22 HE2 PHE 22 5.776 2.303 -1.792 132 HE2 PHE 22 HE1 PHE 22 5.886 2.349 -6.054 133 HZ PHE 22 HZ PHE 22 4.636 2.023 -3.957 134 H GLY 23 H GLY 23 12.235 2.777 -5.386 135 HA2 GLY 23 1HA GLY 23 14.709 2.860 -3.872 136 HA3 GLY 23 2HA GLY 23 14.540 3.059 -5.609 137 H ARG 24 H ARG 24 12.794 5.149 -5.808 138 HA ARG 24 HA ARG 24 14.435 7.344 -4.781 139 HB2 ARG 24 1HB ARG 24 12.332 7.280 -6.952 140 HB3 ARG 24 2HB ARG 24 13.223 8.716 -6.467 141 HG2 ARG 24 1HG ARG 24 15.247 7.879 -7.302 142 HG3 ARG 24 2HG ARG 24 14.613 6.236 -7.420 143 HD2 ARG 24 1HD ARG 24 14.700 7.132 -9.626 144 HD3 ARG 24 2HD ARG 24 13.005 7.072 -9.144 145 HE ARG 24 HE ARG 24 12.937 9.379 -9.164 146 HH11 ARG 24 1HH1 ARG 24 16.217 8.270 -9.526 147 HH12 ARG 24 2HH1 ARG 24 16.834 9.829 -9.964 148 HH21 ARG 24 1HH2 ARG 24 13.736 11.436 -9.740 149 HH22 ARG 24 2HH2 ARG 24 15.422 11.629 -10.085 150 H ARG 25 H ARG 25 13.486 9.198 -3.817 151 HA ARG 25 HA ARG 25 11.518 8.644 -1.894 152 HB2 ARG 25 1HB ARG 25 13.350 10.504 -1.984 153 HB3 ARG 25 2HB ARG 25 12.103 11.443 -2.794 154 HG2 ARG 25 1HG ARG 25 11.570 10.114 -0.166 155 HG3 ARG 25 2HG ARG 25 12.370 11.685 -0.256 156 HD2 ARG 25 1HD ARG 25 9.827 11.246 -1.754 157 HD3 ARG 25 2HD ARG 25 9.766 11.521 -0.014 158 HE ARG 25 HE ARG 25 10.455 13.442 -2.062 159 HH11 ARG 25 1HH1 ARG 25 10.547 12.636 1.324 160 HH12 ARG 25 2HH1 ARG 25 10.734 14.278 1.844 161 HH21 ARG 25 1HH2 ARG 25 10.701 15.608 -1.390 162 HH22 ARG 25 2HH2 ARG 25 10.820 15.968 0.299 163 H SER 26 H SER 26 11.313 10.770 -4.754 164 HA SER 26 HA SER 26 8.615 11.390 -4.565 165 HB2 SER 26 1HB SER 26 8.730 12.007 -6.911 166 HB3 SER 26 2HB SER 26 10.232 12.479 -6.117 167 HG SER 26 HG SER 26 9.992 9.992 -7.425 168 H HIS 27 H HIS 27 10.185 8.538 -5.853 169 HA HIS 27 HA HIS 27 8.010 7.443 -7.254 170 HB2 HIS 27 1HB HIS 27 10.498 6.311 -6.029 171 HB3 HIS 27 2HB HIS 27 9.260 5.217 -6.639 172 HD1 HIS 27 HD1 HIS 27 10.955 4.424 -8.469 173 HD2 HIS 27 HD2 HIS 27 9.871 8.427 -8.716 174 HE1 HIS 27 HE1 HIS 27 11.704 5.183 -10.746 175 H LEU 28 H LEU 28 8.940 7.285 -3.863 176 HA LEU 28 HA LEU 28 6.845 5.410 -3.205 177 HB2 LEU 28 1HB LEU 28 8.676 5.126 -1.835 178 HB3 LEU 28 2HB LEU 28 8.968 6.858 -1.693 179 HG LEU 28 HG LEU 28 6.855 6.941 -0.277 180 HD11 LEU 28 1HD1 LEU 28 6.782 4.210 -1.032 181 HD12 LEU 28 2HD1 LEU 28 5.656 5.100 -0.008 182 HD13 LEU 28 3HD1 LEU 28 7.047 4.288 0.710 183 HD21 LEU 28 3HD2 LEU 28 8.083 6.649 1.652 184 HD22 LEU 28 1HD2 LEU 28 9.356 6.863 0.451 185 HD23 LEU 28 2HD2 LEU 28 8.944 5.245 1.020 186 H ALA 29 H ALA 29 7.534 8.826 -2.479 187 HA ALA 29 HA ALA 29 5.472 9.596 -0.946 188 HB1 ALA 29 3HB ALA 29 7.029 10.897 -3.041 189 HB2 ALA 29 1HB ALA 29 5.440 11.622 -2.792 190 HB3 ALA 29 2HB ALA 29 6.566 11.480 -1.442 191 H GLY 30 H GLY 30 5.251 8.953 -4.424 192 HA2 GLY 30 1HA GLY 30 2.533 9.719 -4.695 193 HA3 GLY 30 2HA GLY 30 3.437 8.711 -5.815 194 H HIS 31 H HIS 31 4.093 6.658 -3.914 195 HA HIS 31 HA HIS 31 1.918 4.949 -4.240 196 HB2 HIS 31 1HB HIS 31 4.081 4.007 -3.871 197 HB3 HIS 31 2HB HIS 31 4.254 4.843 -2.331 198 HD1 HIS 31 HD1 HIS 31 2.296 2.022 -3.913 199 HD2 HIS 31 HD2 HIS 31 3.313 3.472 -0.154 200 HE1 HIS 31 HE1 HIS 31 1.522 0.269 -2.285 201 H LEU 32 H LEU 32 2.503 7.360 -1.861 202 HA LEU 32 HA LEU 32 0.546 6.265 -0.004 203 HB2 LEU 32 1HB LEU 32 2.135 8.824 0.118 204 HB3 LEU 32 2HB LEU 32 1.122 8.175 1.407 205 HG LEU 32 HG LEU 32 3.165 7.508 2.155 206 HD11 LEU 32 1HD1 LEU 32 1.912 5.482 1.922 207 HD12 LEU 32 2HD1 LEU 32 3.591 5.149 1.498 208 HD13 LEU 32 3HD1 LEU 32 2.380 5.329 0.228 209 HD21 LEU 32 3HD2 LEU 32 5.068 7.580 0.967 210 HD22 LEU 32 1HD2 LEU 32 4.067 8.342 -0.269 211 HD23 LEU 32 2HD2 LEU 32 4.402 6.612 -0.350 212 H ARG 33 H ARG 33 0.801 8.650 -2.502 213 HA ARG 33 HA ARG 33 -1.245 10.402 -1.875 214 HB2 ARG 33 1HB ARG 33 -0.175 9.385 -4.490 215 HB3 ARG 33 2HB ARG 33 -1.536 10.498 -4.453 216 HG2 ARG 33 1HG ARG 33 -0.173 12.125 -3.241 217 HG3 ARG 33 2HG ARG 33 1.191 11.007 -3.282 218 HD2 ARG 33 1HD ARG 33 1.258 11.110 -5.691 219 HD3 ARG 33 2HD ARG 33 -0.200 12.101 -5.723 220 HE ARG 33 HE ARG 33 2.456 13.011 -5.332 221 HH11 ARG 33 1HH1 ARG 33 -0.827 13.575 -4.322 222 HH12 ARG 33 2HH1 ARG 33 -0.565 15.247 -3.954 223 HH21 ARG 33 1HH2 ARG 33 2.814 15.211 -4.851 224 HH22 ARG 33 2HH2 ARG 33 1.507 16.177 -4.256 225 H LEU 34 H LEU 34 -1.416 7.157 -3.200 226 HA LEU 34 HA LEU 34 -4.221 7.287 -3.789 227 HB2 LEU 34 1HB LEU 34 -4.005 4.842 -4.125 228 HB3 LEU 34 2HB LEU 34 -2.865 5.797 -5.070 229 HG LEU 34 HG LEU 34 -1.220 5.269 -3.122 230 HD11 LEU 34 1HD1 LEU 34 -3.520 3.516 -2.556 231 HD12 LEU 34 2HD1 LEU 34 -2.277 4.148 -1.477 232 HD13 LEU 34 3HD1 LEU 34 -1.931 2.752 -2.497 233 HD21 LEU 34 3HD2 LEU 34 -0.381 4.254 -4.921 234 HD22 LEU 34 1HD2 LEU 34 -1.982 3.838 -5.533 235 HD23 LEU 34 2HD2 LEU 34 -1.193 2.797 -4.348 236 H HIS 35 H HIS 35 -2.249 6.284 -1.083 237 HA HIS 35 HA HIS 35 -4.123 4.778 0.343 238 HB2 HIS 35 1HB HIS 35 -1.660 6.295 1.037 239 HB3 HIS 35 2HB HIS 35 -2.730 5.846 2.361 240 HD1 HIS 35 HD1 HIS 35 -3.505 3.074 1.914 241 HD2 HIS 35 HD2 HIS 35 0.269 4.431 0.828 242 HE1 HIS 35 HE1 HIS 35 -2.059 1.020 1.800 243 H SER 36 H SER 36 -3.581 8.260 0.205 244 HA SER 36 HA SER 36 -5.901 8.663 1.967 245 HB2 SER 36 1HB SER 36 -3.523 9.754 2.335 246 HB3 SER 36 2HB SER 36 -4.110 10.913 1.142 247 HG SER 36 HG SER 36 -5.266 11.775 2.655 248 H ARG 37 H ARG 37 -7.165 8.008 -0.004 249 HA ARG 37 HA ARG 37 -7.625 10.355 -1.727 250 HB2 ARG 37 1HB ARG 37 -8.392 8.784 -3.474 251 HB3 ARG 37 2HB ARG 37 -6.704 8.541 -3.045 252 HG2 ARG 37 1HG ARG 37 -7.446 6.672 -1.553 253 HG3 ARG 37 2HG ARG 37 -9.059 6.853 -2.244 254 HD2 ARG 37 1HD ARG 37 -6.573 6.344 -3.870 255 HD3 ARG 37 2HD ARG 37 -7.657 5.073 -3.305 256 HE ARG 37 HE ARG 37 -8.913 7.183 -4.836 257 HH11 ARG 37 1HH1 ARG 37 -7.413 4.042 -4.882 258 HH12 ARG 37 2HH1 ARG 37 -8.149 3.568 -6.377 259 HH21 ARG 37 1HH2 ARG 37 -9.888 6.571 -6.805 260 HH22 ARG 37 2HH2 ARG 37 -9.556 5.008 -7.471 261 H GLU 38 H GLU 38 -9.166 7.487 -0.294 262 HA GLU 38 HA GLU 38 -11.689 9.008 -0.202 263 HB2 GLU 38 1HB GLU 38 -11.285 6.029 -0.512 264 HB3 GLU 38 2HB GLU 38 -12.845 6.800 -0.261 265 HG2 GLU 38 1HG GLU 38 -12.837 7.787 -2.363 266 HG3 GLU 38 2HG GLU 38 -11.096 7.592 -2.554 267 H LYS 39 H LYS 39 -9.789 9.253 1.813 268 HA LYS 39 HA LYS 39 -10.090 7.485 3.968 269 HB2 LYS 39 1HB LYS 39 -9.320 10.394 3.818 270 HB3 LYS 39 2HB LYS 39 -9.374 9.524 5.345 271 HG2 LYS 39 1HG LYS 39 -7.726 8.631 2.995 272 HG3 LYS 39 2HG LYS 39 -7.117 9.686 4.272 273 HD2 LYS 39 1HD LYS 39 -8.357 7.006 4.845 274 HD3 LYS 39 2HD LYS 39 -6.635 7.200 4.511 275 HE2 LYS 39 1HE LYS 39 -8.025 8.804 6.634 276 HE3 LYS 39 2HE LYS 39 -7.389 7.193 6.960 277 HZ1 LYS 39 3HZ LYS 39 -5.851 9.566 6.062 278 HZ2 LYS 39 1HZ LYS 39 -5.204 8.007 6.175 279 HZ3 LYS 39 2HZ LYS 39 -5.753 8.798 7.566 280 H SER 40 H SER 40 -12.106 6.934 4.594 281 HA SER 40 HA SER 40 -14.282 8.762 4.722 282 HB2 SER 40 1HB SER 40 -14.348 6.189 4.476 283 HB3 SER 40 2HB SER 40 -14.177 6.159 6.231 284 HG SER 40 HG SER 40 -16.294 6.296 6.085 285 H SER 41 H SER 41 -12.504 7.063 7.307 286 HA SER 41 HA SER 41 -13.339 9.190 9.161 287 HB2 SER 41 1HB SER 41 -13.897 6.683 9.577 288 HB3 SER 41 2HB SER 41 -12.201 6.552 10.043 289 HG SER 41 HG SER 41 -14.013 7.181 11.653 290 H GLY 42 H GLY 42 -11.840 10.223 10.463 291 HA2 GLY 42 1HA GLY 42 -9.202 10.441 9.382 292 HA3 GLY 42 2HA GLY 42 -9.814 11.268 10.807 293 HA PRO 43 HA PRO 43 -7.002 7.480 11.762 294 HB2 PRO 43 1HB PRO 43 -4.557 8.659 11.827 295 HB3 PRO 43 2HB PRO 43 -5.218 7.898 10.375 296 HG2 PRO 43 1HG PRO 43 -5.142 10.794 11.128 297 HG3 PRO 43 2HG PRO 43 -4.806 10.036 9.560 298 HD2 PRO 43 1HD PRO 43 -7.169 11.234 10.124 299 HD3 PRO 43 2HD PRO 43 -7.042 9.836 9.038 300 H SER 44 H SER 44 -5.193 7.585 13.611 301 HA SER 44 HA SER 44 -6.493 8.916 15.827 302 HB2 SER 44 1HB SER 44 -5.688 6.577 16.024 303 HB3 SER 44 2HB SER 44 -4.033 7.150 15.817 304 HG SER 44 HG SER 44 -4.642 6.878 18.030 305 H SER 45 H SER 45 -6.012 10.930 16.363 306 HA SER 45 HA SER 45 -3.374 12.009 15.683 307 HB2 SER 45 1HB SER 45 -4.395 14.219 16.069 308 HB3 SER 45 2HB SER 45 -5.314 13.285 14.889 309 HG SER 45 HG SER 45 -6.151 12.882 17.458 310 H GLY 46 H GLY 46 -2.460 13.612 17.287 311 HA2 GLY 46 1HA GLY 46 -2.804 12.544 20.022 312 HA3 GLY 46 2HA GLY 46 -1.255 13.055 19.368 Start of MODEL 10 1 H1 GLY 1 H GLY 1 13.138 -13.268 8.121 2 HA2 GLY 1 1HA GLY 1 14.309 -15.534 8.065 3 HA3 GLY 1 2HA GLY 1 15.357 -14.142 7.831 4 H SER 2 H SER 2 16.389 -16.509 8.753 5 HA SER 2 HA SER 2 16.523 -17.170 11.349 6 HB2 SER 2 1HB SER 2 18.942 -17.658 11.041 7 HB3 SER 2 2HB SER 2 17.959 -18.221 9.689 8 HG SER 2 HG SER 2 19.844 -16.180 9.798 9 H SER 3 H SER 3 18.268 -14.412 9.935 10 HA SER 3 HA SER 3 18.409 -13.239 12.631 11 HB2 SER 3 1HB SER 3 20.634 -12.453 12.251 12 HB3 SER 3 2HB SER 3 20.626 -14.162 11.817 13 HG SER 3 HG SER 3 20.298 -12.048 9.954 14 H GLY 4 H GLY 4 17.228 -11.451 12.679 15 HA2 GLY 4 1HA GLY 4 16.748 -9.974 10.199 16 HA3 GLY 4 2HA GLY 4 15.854 -9.794 11.701 17 H SER 5 H SER 5 19.354 -9.683 11.129 18 HA SER 5 HA SER 5 19.950 -7.646 12.856 19 HB2 SER 5 1HB SER 5 21.247 -8.426 10.246 20 HB3 SER 5 2HB SER 5 21.920 -7.175 11.290 21 HG SER 5 HG SER 5 22.855 -9.158 11.792 22 H SER 6 H SER 6 19.550 -7.200 9.337 23 HA SER 6 HA SER 6 19.417 -4.363 9.546 24 HB2 SER 6 1HB SER 6 18.655 -6.212 7.273 25 HB3 SER 6 2HB SER 6 18.763 -4.456 7.147 26 HG SER 6 HG SER 6 20.832 -4.658 6.921 27 H GLY 7 H GLY 7 16.948 -6.806 8.721 28 HA2 GLY 7 1HA GLY 7 14.822 -6.539 10.038 29 HA3 GLY 7 2HA GLY 7 14.901 -4.849 9.563 30 H SER 8 H SER 8 13.040 -4.729 8.393 31 HA SER 8 HA SER 8 12.941 -6.383 5.956 32 HB2 SER 8 1HB SER 8 11.196 -7.025 7.633 33 HB3 SER 8 2HB SER 8 10.537 -5.394 7.507 34 HG SER 8 HG SER 8 10.640 -6.091 5.076 35 H GLY 9 H GLY 9 13.749 -4.924 4.520 36 HA2 GLY 9 1HA GLY 9 12.485 -3.245 3.013 37 HA3 GLY 9 2HA GLY 9 12.545 -2.241 4.454 38 H GLU 10 H GLU 10 14.557 -3.931 2.085 39 HA GLU 10 HA GLU 10 17.002 -2.743 2.888 40 HB2 GLU 10 1HB GLU 10 16.102 -4.113 0.364 41 HB3 GLU 10 2HB GLU 10 17.713 -3.427 0.515 42 HG2 GLU 10 1HG GLU 10 16.592 -5.462 2.421 43 HG3 GLU 10 2HG GLU 10 17.535 -5.876 0.990 44 H ARG 11 H ARG 11 14.626 -1.925 0.391 45 HA ARG 11 HA ARG 11 15.837 0.043 -1.015 46 HB2 ARG 11 1HB ARG 11 13.036 -0.313 -0.060 47 HB3 ARG 11 2HB ARG 11 13.466 1.225 -0.796 48 HG2 ARG 11 1HG ARG 11 12.555 -0.185 -2.486 49 HG3 ARG 11 2HG ARG 11 14.287 -0.027 -2.782 50 HD2 ARG 11 1HD ARG 11 13.205 -2.318 -1.185 51 HD3 ARG 11 2HD ARG 11 13.190 -2.363 -2.947 52 HE ARG 11 HE ARG 11 15.419 -2.819 -1.282 53 HH11 ARG 11 1HH1 ARG 11 14.528 -1.242 -4.255 54 HH12 ARG 11 2HH1 ARG 11 16.101 -1.401 -4.964 55 HH21 ARG 11 1HH2 ARG 11 17.494 -3.035 -2.204 56 HH22 ARG 11 2HH2 ARG 11 17.788 -2.422 -3.796 57 HA PRO 12 HA PRO 12 16.878 3.445 1.551 58 HB2 PRO 12 1HB PRO 12 16.239 5.575 -0.006 59 HB3 PRO 12 2HB PRO 12 17.620 4.523 -0.338 60 HG2 PRO 12 1HG PRO 12 14.893 4.514 -1.572 61 HG3 PRO 12 2HG PRO 12 16.475 4.336 -2.353 62 HD2 PRO 12 1HD PRO 12 14.873 2.222 -1.808 63 HD3 PRO 12 2HD PRO 12 16.645 2.109 -1.786 64 H PHE 13 H PHE 13 13.626 3.309 0.279 65 HA PHE 13 HA PHE 13 12.693 4.788 2.643 66 HB2 PHE 13 1HB PHE 13 11.742 5.089 -0.208 67 HB3 PHE 13 2HB PHE 13 10.827 5.675 1.177 68 HD1 PHE 13 HD1 PHE 13 13.928 6.081 -0.759 69 HD2 PHE 13 HD2 PHE 13 11.450 7.663 2.318 70 HE1 PHE 13 HE1 PHE 13 15.219 8.175 -0.801 71 HE2 PHE 13 HE2 PHE 13 12.736 9.760 2.281 72 HZ PHE 13 HZ PHE 13 14.623 10.019 0.719 73 H LYS 14 H LYS 14 10.314 4.389 3.050 74 HA LYS 14 HA LYS 14 9.233 1.911 2.039 75 HB2 LYS 14 1HB LYS 14 10.855 1.262 3.873 76 HB3 LYS 14 2HB LYS 14 9.800 2.108 4.997 77 HG2 LYS 14 1HG LYS 14 7.955 0.566 3.999 78 HG3 LYS 14 2HG LYS 14 9.327 -0.425 3.496 79 HD2 LYS 14 1HD LYS 14 10.107 -0.512 5.818 80 HD3 LYS 14 2HD LYS 14 8.728 0.471 6.316 81 HE2 LYS 14 1HE LYS 14 8.198 -1.805 6.786 82 HE3 LYS 14 2HE LYS 14 7.234 -1.311 5.396 83 HZ1 LYS 14 3HZ LYS 14 8.925 -3.487 5.566 84 HZ2 LYS 14 1HZ LYS 14 9.711 -2.388 4.548 85 HZ3 LYS 14 2HZ LYS 14 8.143 -2.907 4.183 86 H CYS 15 H CYS 15 7.036 1.584 2.615 87 HA CYS 15 HA CYS 15 5.689 4.064 3.355 88 HB2 CYS 15 1HB CYS 15 4.862 3.043 1.350 89 HB3 CYS 15 2HB CYS 15 4.698 1.480 2.144 90 H ASN 16 H ASN 16 4.963 4.402 5.341 91 HA ASN 16 HA ASN 16 4.932 2.246 7.269 92 HB2 ASN 16 1HB ASN 16 4.768 5.214 7.371 93 HB3 ASN 16 2HB ASN 16 4.026 4.323 8.696 94 HD21 ASN 16 1HD2 ASN 16 6.910 5.469 7.340 95 HD22 ASN 16 2HD2 ASN 16 8.007 4.753 8.467 96 H GLU 17 H GLU 17 2.966 2.256 5.076 97 HA GLU 17 HA GLU 17 0.497 2.388 6.680 98 HB2 GLU 17 1HB GLU 17 0.531 2.486 3.677 99 HB3 GLU 17 2HB GLU 17 -0.735 3.005 4.781 100 HG2 GLU 17 1HG GLU 17 1.927 4.370 4.726 101 HG3 GLU 17 2HG GLU 17 0.653 4.792 3.583 102 H CYS 18 H CYS 18 1.796 0.748 3.788 103 HA CYS 18 HA CYS 18 0.409 -1.697 4.667 104 HB2 CYS 18 1HB CYS 18 0.489 -2.407 2.308 105 HB3 CYS 18 2HB CYS 18 -0.368 -0.881 2.501 106 H GLY 19 H GLY 19 3.407 -0.511 3.171 107 HA2 GLY 19 1HA GLY 19 5.444 -1.438 4.349 108 HA3 GLY 19 2HA GLY 19 4.718 -3.009 4.042 109 H LYS 20 H LYS 20 4.603 -0.365 1.751 110 HA LYS 20 HA LYS 20 6.123 -2.003 -0.135 111 HB2 LYS 20 1HB LYS 20 3.802 -0.782 -0.538 112 HB3 LYS 20 2HB LYS 20 4.850 0.576 -0.926 113 HG2 LYS 20 1HG LYS 20 4.711 -2.100 -2.281 114 HG3 LYS 20 2HG LYS 20 4.366 -0.509 -2.963 115 HD2 LYS 20 1HD LYS 20 6.826 0.021 -2.399 116 HD3 LYS 20 2HD LYS 20 7.015 -1.728 -2.260 117 HE2 LYS 20 1HE LYS 20 6.671 -2.079 -4.499 118 HE3 LYS 20 2HE LYS 20 5.677 -0.635 -4.683 119 HZ1 LYS 20 3HZ LYS 20 7.663 0.720 -4.505 120 HZ2 LYS 20 1HZ LYS 20 7.824 -0.392 -5.770 121 HZ3 LYS 20 2HZ LYS 20 8.622 -0.659 -4.303 122 H GLY 21 H GLY 21 8.137 -1.522 -0.749 123 HA2 GLY 21 1HA GLY 21 9.220 1.101 0.073 124 HA3 GLY 21 2HA GLY 21 10.163 -0.381 0.030 125 H PHE 22 H PHE 22 10.312 2.341 -1.360 126 HA PHE 22 HA PHE 22 10.593 1.280 -4.095 127 HB2 PHE 22 1HB PHE 22 9.957 4.129 -3.298 128 HB3 PHE 22 2HB PHE 22 10.123 3.526 -4.944 129 HD1 PHE 22 HD2 PHE 22 8.197 2.730 -1.847 130 HD2 PHE 22 HD1 PHE 22 8.193 3.079 -6.089 131 HE1 PHE 22 HE2 PHE 22 5.798 2.189 -1.885 132 HE2 PHE 22 HE1 PHE 22 5.793 2.540 -6.134 133 HZ PHE 22 HZ PHE 22 4.592 2.092 -4.031 134 H GLY 23 H GLY 23 12.159 2.767 -5.401 135 HA2 GLY 23 1HA GLY 23 14.649 2.806 -3.884 136 HA3 GLY 23 2HA GLY 23 14.491 2.926 -5.630 137 H ARG 24 H ARG 24 12.688 5.037 -5.824 138 HA ARG 24 HA ARG 24 14.416 7.250 -4.993 139 HB2 ARG 24 1HB ARG 24 12.186 7.131 -7.031 140 HB3 ARG 24 2HB ARG 24 13.128 8.569 -6.662 141 HG2 ARG 24 1HG ARG 24 15.174 7.227 -7.314 142 HG3 ARG 24 2HG ARG 24 14.054 6.026 -7.958 143 HD2 ARG 24 1HD ARG 24 14.417 7.281 -9.835 144 HD3 ARG 24 2HD ARG 24 13.023 8.126 -9.164 145 HE ARG 24 HE ARG 24 15.318 9.316 -8.125 146 HH11 ARG 24 1HH1 ARG 24 13.743 8.901 -11.201 147 HH12 ARG 24 2HH1 ARG 24 14.359 10.378 -11.864 148 HH21 ARG 24 1HH2 ARG 24 16.136 11.264 -8.985 149 HH22 ARG 24 2HH2 ARG 24 15.721 11.721 -10.603 150 H ARG 25 H ARG 25 13.570 9.130 -4.013 151 HA ARG 25 HA ARG 25 11.682 8.676 -1.986 152 HB2 ARG 25 1HB ARG 25 13.565 10.487 -2.233 153 HB3 ARG 25 2HB ARG 25 12.280 11.443 -2.959 154 HG2 ARG 25 1HG ARG 25 12.263 10.250 -0.194 155 HG3 ARG 25 2HG ARG 25 12.505 11.950 -0.602 156 HD2 ARG 25 1HD ARG 25 10.189 11.572 -1.851 157 HD3 ARG 25 2HD ARG 25 10.027 10.317 -0.623 158 HE ARG 25 HE ARG 25 10.763 12.966 0.318 159 HH11 ARG 25 1HH1 ARG 25 8.253 10.611 -0.201 160 HH12 ARG 25 2HH1 ARG 25 7.156 11.340 0.925 161 HH21 ARG 25 1HH2 ARG 25 9.328 13.936 1.803 162 HH22 ARG 25 2HH2 ARG 25 7.768 13.231 2.064 163 H SER 26 H SER 26 11.397 10.819 -4.828 164 HA SER 26 HA SER 26 8.699 11.434 -4.514 165 HB2 SER 26 1HB SER 26 8.740 12.149 -6.839 166 HB3 SER 26 2HB SER 26 10.253 12.612 -6.058 167 HG SER 26 HG SER 26 10.823 11.687 -7.967 168 H HIS 27 H HIS 27 10.231 8.597 -5.801 169 HA HIS 27 HA HIS 27 8.088 7.550 -7.292 170 HB2 HIS 27 1HB HIS 27 10.566 6.448 -6.069 171 HB3 HIS 27 2HB HIS 27 9.313 5.300 -6.527 172 HD1 HIS 27 HD1 HIS 27 10.703 4.314 -8.445 173 HD2 HIS 27 HD2 HIS 27 10.011 8.394 -8.806 174 HE1 HIS 27 HE1 HIS 27 11.390 4.907 -10.790 175 H LEU 28 H LEU 28 8.984 7.182 -3.887 176 HA LEU 28 HA LEU 28 6.788 5.416 -3.321 177 HB2 LEU 28 1HB LEU 28 8.589 5.035 -1.928 178 HB3 LEU 28 2HB LEU 28 8.919 6.754 -1.718 179 HG LEU 28 HG LEU 28 6.759 6.827 -0.357 180 HD11 LEU 28 1HD1 LEU 28 6.999 4.085 0.481 181 HD12 LEU 28 2HD1 LEU 28 6.585 4.183 -1.230 182 HD13 LEU 28 3HD1 LEU 28 5.570 4.983 -0.031 183 HD21 LEU 28 3HD2 LEU 28 9.272 6.665 0.404 184 HD22 LEU 28 1HD2 LEU 28 8.759 5.082 0.989 185 HD23 LEU 28 2HD2 LEU 28 7.956 6.539 1.572 186 H ALA 29 H ALA 29 7.546 8.819 -2.666 187 HA ALA 29 HA ALA 29 5.533 9.651 -1.084 188 HB1 ALA 29 3HB ALA 29 6.594 11.533 -1.626 189 HB2 ALA 29 1HB ALA 29 7.119 10.879 -3.177 190 HB3 ALA 29 2HB ALA 29 5.526 11.620 -3.026 191 H GLY 30 H GLY 30 5.236 8.896 -4.528 192 HA2 GLY 30 1HA GLY 30 2.519 9.721 -4.755 193 HA3 GLY 30 2HA GLY 30 3.392 8.702 -5.891 194 H HIS 31 H HIS 31 4.072 6.681 -3.922 195 HA HIS 31 HA HIS 31 1.865 4.983 -4.215 196 HB2 HIS 31 1HB HIS 31 4.071 4.061 -3.913 197 HB3 HIS 31 2HB HIS 31 4.229 4.829 -2.336 198 HD1 HIS 31 HD1 HIS 31 2.480 1.985 -4.063 199 HD2 HIS 31 HD2 HIS 31 3.091 3.447 -0.222 200 HE1 HIS 31 HE1 HIS 31 1.655 0.181 -2.518 201 H LEU 32 H LEU 32 2.510 7.427 -1.910 202 HA LEU 32 HA LEU 32 0.645 6.343 0.050 203 HB2 LEU 32 1HB LEU 32 2.205 8.923 0.061 204 HB3 LEU 32 2HB LEU 32 1.257 8.283 1.402 205 HG LEU 32 HG LEU 32 3.305 7.614 2.096 206 HD11 LEU 32 1HD1 LEU 32 3.607 5.324 1.747 207 HD12 LEU 32 2HD1 LEU 32 2.989 5.400 0.098 208 HD13 LEU 32 3HD1 LEU 32 1.886 5.585 1.461 209 HD21 LEU 32 3HD2 LEU 32 4.067 8.396 -0.485 210 HD22 LEU 32 1HD2 LEU 32 4.677 6.755 -0.274 211 HD23 LEU 32 2HD2 LEU 32 5.118 8.014 0.880 212 H ARG 33 H ARG 33 0.842 8.827 -2.400 213 HA ARG 33 HA ARG 33 -1.241 10.494 -1.734 214 HB2 ARG 33 1HB ARG 33 -0.342 9.509 -4.441 215 HB3 ARG 33 2HB ARG 33 -1.552 10.769 -4.235 216 HG2 ARG 33 1HG ARG 33 0.061 12.172 -3.095 217 HG3 ARG 33 2HG ARG 33 1.276 10.896 -3.208 218 HD2 ARG 33 1HD ARG 33 0.870 11.024 -5.743 219 HD3 ARG 33 2HD ARG 33 0.088 12.566 -5.398 220 HE ARG 33 HE ARG 33 2.907 11.996 -5.335 221 HH11 ARG 33 1HH1 ARG 33 0.374 14.087 -4.184 222 HH12 ARG 33 2HH1 ARG 33 1.437 15.420 -3.872 223 HH21 ARG 33 1HH2 ARG 33 4.317 13.742 -4.929 224 HH22 ARG 33 2HH2 ARG 33 3.679 15.222 -4.297 225 H LEU 34 H LEU 34 -1.376 7.286 -3.170 226 HA LEU 34 HA LEU 34 -4.170 7.350 -3.737 227 HB2 LEU 34 1HB LEU 34 -3.912 4.889 -3.990 228 HB3 LEU 34 2HB LEU 34 -2.802 5.845 -4.970 229 HG LEU 34 HG LEU 34 -1.172 5.410 -2.942 230 HD11 LEU 34 1HD1 LEU 34 -2.226 4.176 -1.379 231 HD12 LEU 34 2HD1 LEU 34 -1.767 2.837 -2.430 232 HD13 LEU 34 3HD1 LEU 34 -3.392 3.516 -2.527 233 HD21 LEU 34 3HD2 LEU 34 -0.391 3.364 -4.122 234 HD22 LEU 34 1HD2 LEU 34 -0.685 4.736 -5.192 235 HD23 LEU 34 2HD2 LEU 34 -1.857 3.421 -5.102 236 H HIS 35 H HIS 35 -2.217 6.324 -1.005 237 HA HIS 35 HA HIS 35 -4.133 4.883 0.423 238 HB2 HIS 35 1HB HIS 35 -1.642 6.354 1.126 239 HB3 HIS 35 2HB HIS 35 -2.728 5.921 2.444 240 HD1 HIS 35 HD1 HIS 35 -3.455 3.205 2.276 241 HD2 HIS 35 HD2 HIS 35 0.163 4.417 0.634 242 HE1 HIS 35 HE1 HIS 35 -2.067 1.116 2.093 243 H SER 36 H SER 36 -3.706 8.313 0.001 244 HA SER 36 HA SER 36 -5.389 9.103 2.173 245 HB2 SER 36 1HB SER 36 -5.226 11.339 1.243 246 HB3 SER 36 2HB SER 36 -3.638 10.576 1.186 247 HG SER 36 HG SER 36 -5.232 11.444 -0.854 248 H ARG 37 H ARG 37 -5.901 8.136 -1.110 249 HA ARG 37 HA ARG 37 -8.163 9.269 -1.979 250 HB2 ARG 37 1HB ARG 37 -8.612 7.356 -3.222 251 HB3 ARG 37 2HB ARG 37 -6.898 7.186 -2.866 252 HG2 ARG 37 1HG ARG 37 -7.680 5.791 -0.847 253 HG3 ARG 37 2HG ARG 37 -9.219 5.701 -1.705 254 HD2 ARG 37 1HD ARG 37 -7.945 4.856 -3.696 255 HD3 ARG 37 2HD ARG 37 -6.524 4.752 -2.657 256 HE ARG 37 HE ARG 37 -7.461 2.926 -1.582 257 HH11 ARG 37 1HH1 ARG 37 -9.724 4.332 -3.823 258 HH12 ARG 37 2HH1 ARG 37 -10.818 2.990 -3.763 259 HH21 ARG 37 1HH2 ARG 37 -8.894 1.153 -1.494 260 HH22 ARG 37 2HH2 ARG 37 -10.345 1.183 -2.437 261 H GLU 38 H GLU 38 -7.990 6.920 0.652 262 HA GLU 38 HA GLU 38 -10.832 7.444 1.225 263 HB2 GLU 38 1HB GLU 38 -9.866 5.034 0.716 264 HB3 GLU 38 2HB GLU 38 -9.399 5.108 2.409 265 HG2 GLU 38 1HG GLU 38 -12.160 5.239 1.242 266 HG3 GLU 38 2HG GLU 38 -11.490 4.027 2.332 267 H LYS 39 H LYS 39 -10.070 9.413 2.305 268 HA LYS 39 HA LYS 39 -9.583 8.888 5.117 269 HB2 LYS 39 1HB LYS 39 -7.316 9.112 4.245 270 HB3 LYS 39 2HB LYS 39 -7.738 10.638 3.480 271 HG2 LYS 39 1HG LYS 39 -7.682 11.799 5.437 272 HG3 LYS 39 2HG LYS 39 -8.142 10.399 6.410 273 HD2 LYS 39 1HD LYS 39 -5.906 10.755 6.972 274 HD3 LYS 39 2HD LYS 39 -5.834 9.459 5.776 275 HE2 LYS 39 1HE LYS 39 -4.124 11.055 5.261 276 HE3 LYS 39 2HE LYS 39 -5.384 11.180 4.035 277 HZ1 LYS 39 3HZ LYS 39 -4.353 13.240 5.489 278 HZ2 LYS 39 1HZ LYS 39 -5.834 12.936 6.247 279 HZ3 LYS 39 2HZ LYS 39 -5.786 13.280 4.592 280 H SER 40 H SER 40 -10.624 10.305 6.403 281 HA SER 40 HA SER 40 -12.063 11.958 7.018 282 HB2 SER 40 1HB SER 40 -10.371 13.448 5.006 283 HB3 SER 40 2HB SER 40 -11.594 14.234 6.004 284 HG SER 40 HG SER 40 -9.789 14.422 7.186 285 H SER 41 H SER 41 -13.167 10.176 5.264 286 HA SER 41 HA SER 41 -14.917 11.903 3.641 287 HB2 SER 41 1HB SER 41 -13.436 10.609 2.167 288 HB3 SER 41 2HB SER 41 -13.968 9.114 2.936 289 HG SER 41 HG SER 41 -15.101 10.429 0.919 290 H GLY 42 H GLY 42 -14.750 8.565 4.907 291 HA2 GLY 42 1HA GLY 42 -17.373 8.968 6.151 292 HA3 GLY 42 2HA GLY 42 -17.208 7.660 4.989 293 HA PRO 43 HA PRO 43 -14.318 6.459 8.667 294 HB2 PRO 43 1HB PRO 43 -14.361 8.072 10.850 295 HB3 PRO 43 2HB PRO 43 -13.241 8.308 9.503 296 HG2 PRO 43 1HG PRO 43 -15.822 9.708 10.088 297 HG3 PRO 43 2HG PRO 43 -14.280 10.388 9.535 298 HD2 PRO 43 1HD PRO 43 -16.353 9.923 7.856 299 HD3 PRO 43 2HD PRO 43 -14.659 9.790 7.342 300 H SER 44 H SER 44 -14.746 5.387 10.726 301 HA SER 44 HA SER 44 -17.635 5.136 11.214 302 HB2 SER 44 1HB SER 44 -15.349 3.203 11.606 303 HB3 SER 44 2HB SER 44 -16.956 2.921 12.274 304 HG SER 44 HG SER 44 -16.068 2.560 9.751 305 H SER 45 H SER 45 -16.357 7.293 12.391 306 HA SER 45 HA SER 45 -16.432 6.520 15.230 307 HB2 SER 45 1HB SER 45 -14.579 8.581 14.011 308 HB3 SER 45 2HB SER 45 -14.683 8.162 15.721 309 HG SER 45 HG SER 45 -13.381 6.574 15.334 310 H GLY 46 H GLY 46 -17.348 8.021 16.654 311 HA2 GLY 46 1HA GLY 46 -19.514 9.496 15.704 312 HA3 GLY 46 2HA GLY 46 -18.801 9.675 17.300 Start of MODEL 11 1 H1 GLY 1 H GLY 1 0.059 -19.625 9.324 2 HA2 GLY 1 1HA GLY 1 1.028 -18.436 11.040 3 HA3 GLY 1 2HA GLY 1 2.073 -19.819 11.328 4 H SER 2 H SER 2 1.650 -17.465 8.680 5 HA SER 2 HA SER 2 4.321 -16.449 9.061 6 HB2 SER 2 1HB SER 2 3.638 -18.048 6.584 7 HB3 SER 2 2HB SER 2 5.065 -17.026 6.747 8 HG SER 2 HG SER 2 5.985 -18.612 7.749 9 H SER 3 H SER 3 3.897 -14.346 8.964 10 HA SER 3 HA SER 3 2.737 -13.239 6.549 11 HB2 SER 3 1HB SER 3 0.740 -13.602 7.897 12 HB3 SER 3 2HB SER 3 1.480 -12.769 9.264 13 HG SER 3 HG SER 3 1.650 -10.945 7.658 14 H GLY 4 H GLY 4 3.294 -11.086 6.187 15 HA2 GLY 4 1HA GLY 4 4.147 -9.074 7.657 16 HA3 GLY 4 2HA GLY 4 5.523 -10.152 7.837 17 H SER 5 H SER 5 6.947 -8.752 6.805 18 HA SER 5 HA SER 5 6.377 -7.994 4.046 19 HB2 SER 5 1HB SER 5 8.148 -6.451 4.218 20 HB3 SER 5 2HB SER 5 7.404 -6.424 5.817 21 HG SER 5 HG SER 5 9.766 -7.781 5.030 22 H SER 6 H SER 6 7.651 -8.593 2.294 23 HA SER 6 HA SER 6 9.866 -10.411 2.640 24 HB2 SER 6 1HB SER 6 7.850 -11.887 2.808 25 HB3 SER 6 2HB SER 6 7.402 -11.386 1.177 26 HG SER 6 HG SER 6 9.645 -12.148 0.647 27 H GLY 7 H GLY 7 11.262 -9.372 1.357 28 HA2 GLY 7 1HA GLY 7 10.403 -8.828 -1.416 29 HA3 GLY 7 2HA GLY 7 11.355 -7.661 -0.508 30 H SER 8 H SER 8 12.813 -7.879 -2.377 31 HA SER 8 HA SER 8 14.524 -10.268 -2.148 32 HB2 SER 8 1HB SER 8 15.117 -10.016 -4.458 33 HB3 SER 8 2HB SER 8 13.359 -9.911 -4.361 34 HG SER 8 HG SER 8 14.108 -7.473 -4.091 35 H GLY 9 H GLY 9 14.852 -8.175 -0.352 36 HA2 GLY 9 1HA GLY 9 17.384 -7.698 0.028 37 HA3 GLY 9 2HA GLY 9 17.147 -6.645 -1.359 38 H GLU 10 H GLU 10 17.107 -4.606 -0.696 39 HA GLU 10 HA GLU 10 15.165 -3.793 1.290 40 HB2 GLU 10 1HB GLU 10 18.111 -3.705 1.770 41 HB3 GLU 10 2HB GLU 10 17.124 -2.381 2.372 42 HG2 GLU 10 1HG GLU 10 15.756 -3.970 3.627 43 HG3 GLU 10 2HG GLU 10 16.753 -5.295 3.029 44 H ARG 11 H ARG 11 15.032 -1.401 1.460 45 HA ARG 11 HA ARG 11 16.096 -0.017 -0.901 46 HB2 ARG 11 1HB ARG 11 13.246 -0.414 -0.140 47 HB3 ARG 11 2HB ARG 11 13.701 1.156 -0.788 48 HG2 ARG 11 1HG ARG 11 13.081 0.049 -2.693 49 HG3 ARG 11 2HG ARG 11 14.817 -0.267 -2.670 50 HD2 ARG 11 1HD ARG 11 14.398 -2.440 -1.615 51 HD3 ARG 11 2HD ARG 11 12.664 -2.121 -1.658 52 HE ARG 11 HE ARG 11 13.763 -1.902 -4.252 53 HH11 ARG 11 1HH1 ARG 11 12.908 -4.259 -1.837 54 HH12 ARG 11 2HH1 ARG 11 12.619 -5.523 -2.986 55 HH21 ARG 11 1HH2 ARG 11 13.386 -3.558 -5.774 56 HH22 ARG 11 2HH2 ARG 11 12.892 -5.123 -5.225 57 HA PRO 12 HA PRO 12 16.962 3.354 1.768 58 HB2 PRO 12 1HB PRO 12 16.394 5.505 0.213 59 HB3 PRO 12 2HB PRO 12 17.799 4.468 -0.059 60 HG2 PRO 12 1HG PRO 12 15.145 4.461 -1.443 61 HG3 PRO 12 2HG PRO 12 16.769 4.307 -2.137 62 HD2 PRO 12 1HD PRO 12 15.156 2.173 -1.716 63 HD3 PRO 12 2HD PRO 12 16.924 2.071 -1.597 64 H PHE 13 H PHE 13 13.846 3.622 0.091 65 HA PHE 13 HA PHE 13 12.763 4.995 2.462 66 HB2 PHE 13 1HB PHE 13 11.971 5.131 -0.445 67 HB3 PHE 13 2HB PHE 13 10.922 5.714 0.844 68 HD1 PHE 13 HD1 PHE 13 14.427 6.069 -0.375 69 HD2 PHE 13 HD2 PHE 13 11.064 7.923 1.461 70 HE1 PHE 13 HE1 PHE 13 15.608 8.227 -0.398 71 HE2 PHE 13 HE2 PHE 13 12.240 10.084 1.440 72 HZ PHE 13 HZ PHE 13 14.515 10.238 0.509 73 H LYS 14 H LYS 14 10.536 4.486 3.040 74 HA LYS 14 HA LYS 14 9.394 2.031 2.025 75 HB2 LYS 14 1HB LYS 14 11.086 1.291 3.714 76 HB3 LYS 14 2HB LYS 14 10.197 2.194 4.934 77 HG2 LYS 14 1HG LYS 14 8.182 0.761 4.196 78 HG3 LYS 14 2HG LYS 14 9.402 -0.290 3.474 79 HD2 LYS 14 1HD LYS 14 10.497 -0.525 5.641 80 HD3 LYS 14 2HD LYS 14 9.309 0.559 6.370 81 HE2 LYS 14 1HE LYS 14 8.601 -1.629 6.899 82 HE3 LYS 14 2HE LYS 14 7.541 -1.080 5.602 83 HZ1 LYS 14 3HZ LYS 14 8.355 -2.597 4.176 84 HZ2 LYS 14 1HZ LYS 14 8.790 -3.425 5.586 85 HZ3 LYS 14 2HZ LYS 14 9.937 -2.490 4.766 86 H CYS 15 H CYS 15 7.227 1.717 2.656 87 HA CYS 15 HA CYS 15 5.939 4.163 3.601 88 HB2 CYS 15 1HB CYS 15 4.966 3.393 1.593 89 HB3 CYS 15 2HB CYS 15 4.950 1.721 2.143 90 H ASN 16 H ASN 16 4.723 4.298 5.426 91 HA ASN 16 HA ASN 16 4.996 2.103 7.326 92 HB2 ASN 16 1HB ASN 16 3.963 4.918 7.735 93 HB3 ASN 16 2HB ASN 16 4.262 3.737 9.007 94 HD21 ASN 16 1HD2 ASN 16 5.750 5.061 10.027 95 HD22 ASN 16 2HD2 ASN 16 7.330 5.342 9.386 96 H GLU 17 H GLU 17 2.627 3.602 5.328 97 HA GLU 17 HA GLU 17 0.274 3.012 6.708 98 HB2 GLU 17 1HB GLU 17 0.611 2.912 3.709 99 HB3 GLU 17 2HB GLU 17 -0.864 3.249 4.605 100 HG2 GLU 17 1HG GLU 17 1.534 5.016 4.873 101 HG3 GLU 17 2HG GLU 17 0.408 5.202 3.529 102 H CYS 18 H CYS 18 1.881 1.099 4.162 103 HA CYS 18 HA CYS 18 0.540 -1.288 5.252 104 HB2 CYS 18 1HB CYS 18 0.531 -2.223 2.982 105 HB3 CYS 18 2HB CYS 18 -0.360 -0.706 3.048 106 H GLY 19 H GLY 19 3.426 -0.046 3.615 107 HA2 GLY 19 1HA GLY 19 5.532 -0.802 4.784 108 HA3 GLY 19 2HA GLY 19 4.890 -2.424 4.577 109 H LYS 20 H LYS 20 4.395 -0.089 2.073 110 HA LYS 20 HA LYS 20 5.658 -1.703 0.124 111 HB2 LYS 20 1HB LYS 20 3.784 -0.084 -0.295 112 HB3 LYS 20 2HB LYS 20 4.946 1.224 -0.115 113 HG2 LYS 20 1HG LYS 20 4.537 0.728 -2.457 114 HG3 LYS 20 2HG LYS 20 6.210 0.375 -2.019 115 HD2 LYS 20 1HD LYS 20 5.695 -1.993 -1.857 116 HD3 LYS 20 2HD LYS 20 3.995 -1.667 -2.203 117 HE2 LYS 20 1HE LYS 20 5.042 -2.443 -4.214 118 HE3 LYS 20 2HE LYS 20 4.688 -0.726 -4.399 119 HZ1 LYS 20 3HZ LYS 20 6.996 -0.234 -3.869 120 HZ2 LYS 20 1HZ LYS 20 6.894 -1.257 -5.212 121 HZ3 LYS 20 2HZ LYS 20 7.333 -1.883 -3.703 122 H GLY 21 H GLY 21 7.411 -0.928 -1.337 123 HA2 GLY 21 1HA GLY 21 9.375 0.798 -0.004 124 HA3 GLY 21 2HA GLY 21 9.853 -0.839 -0.427 125 H PHE 22 H PHE 22 10.665 1.949 -1.352 126 HA PHE 22 HA PHE 22 10.638 1.294 -4.207 127 HB2 PHE 22 1HB PHE 22 10.041 4.041 -3.087 128 HB3 PHE 22 2HB PHE 22 10.220 3.648 -4.794 129 HD1 PHE 22 HD2 PHE 22 8.137 3.045 -1.801 130 HD2 PHE 22 HD1 PHE 22 8.422 2.798 -6.041 131 HE1 PHE 22 HE2 PHE 22 5.735 2.528 -1.929 132 HE2 PHE 22 HE1 PHE 22 6.020 2.282 -6.176 133 HZ PHE 22 HZ PHE 22 4.673 2.145 -4.118 134 H GLY 23 H GLY 23 12.247 2.722 -5.419 135 HA2 GLY 23 1HA GLY 23 14.753 2.613 -3.960 136 HA3 GLY 23 2HA GLY 23 14.556 2.923 -5.678 137 H ARG 24 H ARG 24 12.923 5.093 -5.741 138 HA ARG 24 HA ARG 24 14.645 7.147 -4.555 139 HB2 ARG 24 1HB ARG 24 12.552 7.496 -6.705 140 HB3 ARG 24 2HB ARG 24 13.798 8.645 -6.236 141 HG2 ARG 24 1HG ARG 24 14.469 5.936 -7.334 142 HG3 ARG 24 2HG ARG 24 14.167 7.328 -8.376 143 HD2 ARG 24 1HD ARG 24 15.922 8.521 -6.912 144 HD3 ARG 24 2HD ARG 24 16.372 6.898 -6.391 145 HE ARG 24 HE ARG 24 17.461 6.651 -8.373 146 HH11 ARG 24 1HH1 ARG 24 14.997 9.078 -8.773 147 HH12 ARG 24 2HH1 ARG 24 15.443 9.448 -10.406 148 HH21 ARG 24 1HH2 ARG 24 18.057 7.129 -10.522 149 HH22 ARG 24 2HH2 ARG 24 17.183 8.338 -11.400 150 H ARG 25 H ARG 25 13.539 9.195 -3.881 151 HA ARG 25 HA ARG 25 11.605 8.616 -1.887 152 HB2 ARG 25 1HB ARG 25 12.893 10.395 -1.238 153 HB3 ARG 25 2HB ARG 25 13.010 11.043 -2.869 154 HG2 ARG 25 1HG ARG 25 11.730 12.480 -1.321 155 HG3 ARG 25 2HG ARG 25 10.799 11.959 -2.727 156 HD2 ARG 25 1HD ARG 25 9.453 10.570 -1.490 157 HD3 ARG 25 2HD ARG 25 10.673 10.326 -0.241 158 HE ARG 25 HE ARG 25 9.596 13.004 -0.398 159 HH11 ARG 25 1HH1 ARG 25 9.342 9.846 1.044 160 HH12 ARG 25 2HH1 ARG 25 8.471 10.407 2.433 161 HH21 ARG 25 1HH2 ARG 25 8.450 13.755 1.426 162 HH22 ARG 25 2HH2 ARG 25 7.964 12.630 2.649 163 H SER 26 H SER 26 11.348 10.902 -4.616 164 HA SER 26 HA SER 26 8.660 11.389 -4.526 165 HB2 SER 26 1HB SER 26 9.848 12.665 -6.087 166 HB3 SER 26 2HB SER 26 10.586 11.246 -6.830 167 HG SER 26 HG SER 26 8.043 12.342 -7.205 168 H HIS 27 H HIS 27 10.281 8.544 -5.755 169 HA HIS 27 HA HIS 27 8.172 7.398 -7.198 170 HB2 HIS 27 1HB HIS 27 10.522 6.200 -5.741 171 HB3 HIS 27 2HB HIS 27 9.366 5.203 -6.618 172 HD1 HIS 27 HD1 HIS 27 12.264 5.219 -7.523 173 HD2 HIS 27 HD2 HIS 27 9.389 7.818 -9.019 174 HE1 HIS 27 HE1 HIS 27 13.122 5.947 -9.772 175 H LEU 28 H LEU 28 8.952 7.318 -3.764 176 HA LEU 28 HA LEU 28 6.806 5.477 -3.164 177 HB2 LEU 28 1HB LEU 28 8.608 5.191 -1.739 178 HB3 LEU 28 2HB LEU 28 8.877 6.925 -1.571 179 HG LEU 28 HG LEU 28 6.742 7.005 -0.225 180 HD11 LEU 28 1HD1 LEU 28 6.910 4.228 0.563 181 HD12 LEU 28 2HD1 LEU 28 6.463 4.401 -1.134 182 HD13 LEU 28 3HD1 LEU 28 5.503 5.193 0.116 183 HD21 LEU 28 3HD2 LEU 28 7.895 6.674 1.722 184 HD22 LEU 28 1HD2 LEU 28 9.237 6.756 0.580 185 HD23 LEU 28 2HD2 LEU 28 8.659 5.190 1.150 186 H ALA 29 H ALA 29 7.516 8.906 -2.561 187 HA ALA 29 HA ALA 29 5.471 9.777 -1.069 188 HB1 ALA 29 3HB ALA 29 6.926 11.424 -1.838 189 HB2 ALA 29 1HB ALA 29 6.669 10.999 -3.530 190 HB3 ALA 29 2HB ALA 29 5.400 11.825 -2.625 191 H GLY 30 H GLY 30 5.210 8.904 -4.493 192 HA2 GLY 30 1HA GLY 30 2.484 9.659 -4.770 193 HA3 GLY 30 2HA GLY 30 3.378 8.601 -5.851 194 H HIS 31 H HIS 31 4.074 6.643 -3.874 195 HA HIS 31 HA HIS 31 1.901 4.914 -4.078 196 HB2 HIS 31 1HB HIS 31 4.097 4.023 -3.703 197 HB3 HIS 31 2HB HIS 31 4.254 4.898 -2.183 198 HD1 HIS 31 HD1 HIS 31 2.470 1.952 -3.706 199 HD2 HIS 31 HD2 HIS 31 3.193 3.627 0.027 200 HE1 HIS 31 HE1 HIS 31 1.682 0.243 -2.038 201 H LEU 32 H LEU 32 2.499 7.449 -1.845 202 HA LEU 32 HA LEU 32 0.601 6.430 0.115 203 HB2 LEU 32 1HB LEU 32 2.181 8.996 0.041 204 HB3 LEU 32 2HB LEU 32 1.162 8.466 1.377 205 HG LEU 32 HG LEU 32 3.166 7.806 2.199 206 HD11 LEU 32 1HD1 LEU 32 1.956 5.759 2.048 207 HD12 LEU 32 2HD1 LEU 32 3.634 5.420 1.627 208 HD13 LEU 32 3HD1 LEU 32 2.415 5.545 0.358 209 HD21 LEU 32 3HD2 LEU 32 5.113 7.750 1.051 210 HD22 LEU 32 1HD2 LEU 32 4.155 8.593 -0.167 211 HD23 LEU 32 2HD2 LEU 32 4.418 6.854 -0.301 212 H ARG 33 H ARG 33 0.761 8.678 -2.518 213 HA ARG 33 HA ARG 33 -1.333 10.402 -1.925 214 HB2 ARG 33 1HB ARG 33 -0.083 9.413 -4.441 215 HB3 ARG 33 2HB ARG 33 -1.617 10.263 -4.568 216 HG2 ARG 33 1HG ARG 33 -0.512 12.097 -3.176 217 HG3 ARG 33 2HG ARG 33 1.008 11.283 -3.548 218 HD2 ARG 33 1HD ARG 33 0.935 12.747 -5.293 219 HD3 ARG 33 2HD ARG 33 0.047 11.404 -6.010 220 HE ARG 33 HE ARG 33 -1.581 13.359 -4.636 221 HH11 ARG 33 1HH1 ARG 33 -0.174 12.347 -7.655 222 HH12 ARG 33 2HH1 ARG 33 -1.313 13.217 -8.628 223 HH21 ARG 33 1HH2 ARG 33 -3.086 14.509 -5.906 224 HH22 ARG 33 2HH2 ARG 33 -2.969 14.448 -7.632 225 H LEU 34 H LEU 34 -1.390 7.104 -3.096 226 HA LEU 34 HA LEU 34 -4.207 7.134 -3.696 227 HB2 LEU 34 1HB LEU 34 -3.928 4.732 -4.071 228 HB3 LEU 34 2HB LEU 34 -2.737 5.687 -4.952 229 HG LEU 34 HG LEU 34 -1.195 5.138 -2.926 230 HD11 LEU 34 1HD1 LEU 34 -3.494 3.294 -2.557 231 HD12 LEU 34 2HD1 LEU 34 -2.452 4.062 -1.359 232 HD13 LEU 34 3HD1 LEU 34 -1.869 2.670 -2.271 233 HD21 LEU 34 3HD2 LEU 34 -1.929 2.976 -4.896 234 HD22 LEU 34 1HD2 LEU 34 -0.383 3.186 -4.073 235 HD23 LEU 34 2HD2 LEU 34 -0.914 4.371 -5.266 236 H HIS 35 H HIS 35 -2.272 6.657 -0.916 237 HA HIS 35 HA HIS 35 -4.088 4.987 0.532 238 HB2 HIS 35 1HB HIS 35 -1.587 6.477 1.145 239 HB3 HIS 35 2HB HIS 35 -2.635 6.068 2.500 240 HD1 HIS 35 HD1 HIS 35 -3.430 3.316 2.226 241 HD2 HIS 35 HD2 HIS 35 0.275 4.564 0.820 242 HE1 HIS 35 HE1 HIS 35 -2.027 1.234 2.089 243 H SER 36 H SER 36 -3.873 8.354 -0.125 244 HA SER 36 HA SER 36 -5.575 9.097 2.116 245 HB2 SER 36 1HB SER 36 -4.124 10.629 -0.025 246 HB3 SER 36 2HB SER 36 -5.394 11.404 0.922 247 HG SER 36 HG SER 36 -4.212 10.876 2.802 248 H ARG 37 H ARG 37 -5.697 9.413 -1.436 249 HA ARG 37 HA ARG 37 -8.122 10.400 -1.928 250 HB2 ARG 37 1HB ARG 37 -8.251 9.100 -3.941 251 HB3 ARG 37 2HB ARG 37 -6.557 9.463 -3.637 252 HG2 ARG 37 1HG ARG 37 -6.080 7.269 -2.994 253 HG3 ARG 37 2HG ARG 37 -7.784 6.876 -2.756 254 HD2 ARG 37 1HD ARG 37 -6.635 7.600 -5.440 255 HD3 ARG 37 2HD ARG 37 -6.687 5.942 -4.841 256 HE ARG 37 HE ARG 37 -9.219 7.337 -4.812 257 HH11 ARG 37 1HH1 ARG 37 -7.059 5.265 -6.590 258 HH12 ARG 37 2HH1 ARG 37 -8.306 4.616 -7.603 259 HH21 ARG 37 1HH2 ARG 37 -10.869 6.491 -6.140 260 HH22 ARG 37 2HH2 ARG 37 -10.473 5.315 -7.347 261 H GLU 38 H GLU 38 -7.519 7.202 -0.607 262 HA GLU 38 HA GLU 38 -10.381 6.989 0.011 263 HB2 GLU 38 1HB GLU 38 -9.481 5.536 -1.990 264 HB3 GLU 38 2HB GLU 38 -8.849 4.520 -0.702 265 HG2 GLU 38 1HG GLU 38 -11.025 3.753 -1.507 266 HG3 GLU 38 2HG GLU 38 -11.068 4.207 0.195 267 H LYS 39 H LYS 39 -10.160 7.439 2.156 268 HA LYS 39 HA LYS 39 -8.344 5.724 3.715 269 HB2 LYS 39 1HB LYS 39 -9.356 8.512 4.113 270 HB3 LYS 39 2HB LYS 39 -8.910 7.553 5.518 271 HG2 LYS 39 1HG LYS 39 -6.721 7.155 4.069 272 HG3 LYS 39 2HG LYS 39 -7.211 8.708 3.386 273 HD2 LYS 39 1HD LYS 39 -5.944 9.457 5.129 274 HD3 LYS 39 2HD LYS 39 -7.499 9.318 5.952 275 HE2 LYS 39 1HE LYS 39 -5.828 8.319 7.342 276 HE3 LYS 39 2HE LYS 39 -6.830 7.030 6.678 277 HZ1 LYS 39 3HZ LYS 39 -4.908 7.150 4.848 278 HZ2 LYS 39 1HZ LYS 39 -4.837 6.138 6.202 279 HZ3 LYS 39 2HZ LYS 39 -4.027 7.623 6.213 280 H SER 40 H SER 40 -9.233 5.508 6.088 281 HA SER 40 HA SER 40 -11.173 3.685 6.250 282 HB2 SER 40 1HB SER 40 -10.874 5.944 8.245 283 HB3 SER 40 2HB SER 40 -11.608 4.372 8.563 284 HG SER 40 HG SER 40 -9.285 4.732 9.142 285 H SER 41 H SER 41 -11.889 7.154 6.689 286 HA SER 41 HA SER 41 -14.646 6.591 5.811 287 HB2 SER 41 1HB SER 41 -14.439 7.339 8.182 288 HB3 SER 41 2HB SER 41 -13.722 8.845 7.609 289 HG SER 41 HG SER 41 -15.640 9.544 7.120 290 H GLY 42 H GLY 42 -12.725 7.003 3.887 291 HA2 GLY 42 1HA GLY 42 -12.302 9.652 3.085 292 HA3 GLY 42 2HA GLY 42 -12.301 8.258 2.015 293 HA PRO 43 HA PRO 43 -15.753 10.841 0.523 294 HB2 PRO 43 1HB PRO 43 -15.514 10.032 -2.057 295 HB3 PRO 43 2HB PRO 43 -14.529 11.324 -1.361 296 HG2 PRO 43 1HG PRO 43 -13.837 8.446 -1.807 297 HG3 PRO 43 2HG PRO 43 -12.853 9.892 -2.102 298 HD2 PRO 43 1HD PRO 43 -12.537 8.337 0.092 299 HD3 PRO 43 2HD PRO 43 -12.255 10.090 0.115 300 H SER 44 H SER 44 -17.563 10.088 -1.109 301 HA SER 44 HA SER 44 -19.154 8.229 0.062 302 HB2 SER 44 1HB SER 44 -20.354 8.033 -2.091 303 HB3 SER 44 2HB SER 44 -19.942 9.707 -1.722 304 HG SER 44 HG SER 44 -17.910 8.836 -3.058 305 H SER 45 H SER 45 -18.991 6.131 0.444 306 HA SER 45 HA SER 45 -17.072 4.537 -1.062 307 HB2 SER 45 1HB SER 45 -18.717 3.794 1.370 308 HB3 SER 45 2HB SER 45 -17.393 2.853 0.683 309 HG SER 45 HG SER 45 -15.961 4.285 1.425 310 H GLY 46 H GLY 46 -17.833 2.134 -1.351 311 HA2 GLY 46 1HA GLY 46 -20.591 1.713 -1.969 312 HA3 GLY 46 2HA GLY 46 -19.647 2.018 -3.419 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -6.332 -18.939 5.555 2 HA2 GLY 1 1HA GLY 1 -8.442 -17.889 4.499 3 HA3 GLY 1 2HA GLY 1 -9.029 -17.926 6.155 4 H SER 2 H SER 2 -6.990 -17.091 7.656 5 HA SER 2 HA SER 2 -6.657 -14.327 6.766 6 HB2 SER 2 1HB SER 2 -7.571 -15.095 9.096 7 HB3 SER 2 2HB SER 2 -5.865 -15.309 9.488 8 HG SER 2 HG SER 2 -5.973 -13.250 9.919 9 H SER 3 H SER 3 -4.794 -13.621 5.979 10 HA SER 3 HA SER 3 -2.317 -15.025 6.732 11 HB2 SER 3 1HB SER 3 -1.485 -14.646 4.425 12 HB3 SER 3 2HB SER 3 -2.906 -15.689 4.462 13 HG SER 3 HG SER 3 -2.996 -14.031 2.841 14 H GLY 4 H GLY 4 -0.448 -13.763 6.899 15 HA2 GLY 4 1HA GLY 4 -0.986 -10.871 7.115 16 HA3 GLY 4 2HA GLY 4 0.213 -11.741 8.060 17 H SER 5 H SER 5 1.656 -10.020 7.327 18 HA SER 5 HA SER 5 2.720 -10.597 4.640 19 HB2 SER 5 1HB SER 5 3.448 -8.200 4.562 20 HB3 SER 5 2HB SER 5 1.697 -8.410 4.570 21 HG SER 5 HG SER 5 1.794 -7.072 6.192 22 H SER 6 H SER 6 4.978 -10.497 4.384 23 HA SER 6 HA SER 6 6.727 -9.912 6.567 24 HB2 SER 6 1HB SER 6 5.669 -12.295 6.966 25 HB3 SER 6 2HB SER 6 6.856 -12.792 5.760 26 HG SER 6 HG SER 6 8.478 -12.197 7.089 27 H GLY 7 H GLY 7 8.300 -8.914 5.501 28 HA2 GLY 7 1HA GLY 7 9.572 -10.302 3.255 29 HA3 GLY 7 2HA GLY 7 8.972 -8.673 2.980 30 H SER 8 H SER 8 10.979 -7.781 2.571 31 HA SER 8 HA SER 8 12.688 -7.481 4.943 32 HB2 SER 8 1HB SER 8 13.523 -9.106 3.036 33 HB3 SER 8 2HB SER 8 13.964 -7.596 2.239 34 HG SER 8 HG SER 8 15.533 -7.329 3.620 35 H GLY 9 H GLY 9 14.416 -5.676 4.389 36 HA2 GLY 9 1HA GLY 9 12.978 -3.465 3.055 37 HA3 GLY 9 2HA GLY 9 13.802 -3.248 4.592 38 H GLU 10 H GLU 10 14.414 -4.293 1.246 39 HA GLU 10 HA GLU 10 17.182 -3.374 1.505 40 HB2 GLU 10 1HB GLU 10 15.858 -4.914 -0.736 41 HB3 GLU 10 2HB GLU 10 17.572 -4.543 -0.613 42 HG2 GLU 10 1HG GLU 10 17.592 -5.843 1.537 43 HG3 GLU 10 2HG GLU 10 15.956 -6.367 1.142 44 H ARG 11 H ARG 11 15.353 -1.326 1.518 45 HA ARG 11 HA ARG 11 16.004 0.014 -1.000 46 HB2 ARG 11 1HB ARG 11 13.276 -0.523 0.057 47 HB3 ARG 11 2HB ARG 11 13.568 1.059 -0.653 48 HG2 ARG 11 1HG ARG 11 12.844 -0.089 -2.484 49 HG3 ARG 11 2HG ARG 11 14.583 -0.362 -2.612 50 HD2 ARG 11 1HD ARG 11 13.805 -2.499 -2.890 51 HD3 ARG 11 2HD ARG 11 14.037 -2.467 -1.142 52 HE ARG 11 HE ARG 11 11.480 -1.698 -1.379 53 HH11 ARG 11 1HH1 ARG 11 13.252 -4.345 -2.783 54 HH12 ARG 11 2HH1 ARG 11 11.874 -5.392 -2.870 55 HH21 ARG 11 1HH2 ARG 11 9.659 -3.066 -1.488 56 HH22 ARG 11 2HH2 ARG 11 9.831 -4.663 -2.134 57 HA PRO 12 HA PRO 12 16.998 3.456 1.532 58 HB2 PRO 12 1HB PRO 12 16.315 5.540 -0.068 59 HB3 PRO 12 2HB PRO 12 17.721 4.513 -0.375 60 HG2 PRO 12 1HG PRO 12 14.999 4.419 -1.616 61 HG3 PRO 12 2HG PRO 12 16.587 4.261 -2.389 62 HD2 PRO 12 1HD PRO 12 15.032 2.122 -1.807 63 HD3 PRO 12 2HD PRO 12 16.806 2.050 -1.778 64 H PHE 13 H PHE 13 13.765 3.400 0.133 65 HA PHE 13 HA PHE 13 12.788 4.859 2.499 66 HB2 PHE 13 1HB PHE 13 11.854 5.042 -0.366 67 HB3 PHE 13 2HB PHE 13 10.903 5.642 0.988 68 HD1 PHE 13 HD1 PHE 13 14.118 6.029 -0.796 69 HD2 PHE 13 HD2 PHE 13 11.351 7.734 1.952 70 HE1 PHE 13 HE1 PHE 13 15.347 8.159 -0.885 71 HE2 PHE 13 HE2 PHE 13 12.575 9.866 1.867 72 HZ PHE 13 HZ PHE 13 14.575 10.081 0.447 73 H LYS 14 H LYS 14 10.506 4.378 3.045 74 HA LYS 14 HA LYS 14 9.389 1.906 2.058 75 HB2 LYS 14 1HB LYS 14 11.152 1.327 3.841 76 HB3 LYS 14 2HB LYS 14 10.028 2.028 4.997 77 HG2 LYS 14 1HG LYS 14 8.320 0.389 3.911 78 HG3 LYS 14 2HG LYS 14 9.771 -0.461 3.376 79 HD2 LYS 14 1HD LYS 14 10.468 -0.178 5.898 80 HD3 LYS 14 2HD LYS 14 8.725 -0.028 6.135 81 HE2 LYS 14 1HE LYS 14 9.049 -2.300 6.386 82 HE3 LYS 14 2HE LYS 14 8.608 -2.180 4.683 83 HZ1 LYS 14 3HZ LYS 14 11.441 -1.959 5.247 84 HZ2 LYS 14 1HZ LYS 14 10.643 -2.815 4.025 85 HZ3 LYS 14 2HZ LYS 14 10.763 -3.473 5.579 86 H CYS 15 H CYS 15 7.232 1.548 2.758 87 HA CYS 15 HA CYS 15 5.931 3.998 3.695 88 HB2 CYS 15 1HB CYS 15 5.010 3.204 1.646 89 HB3 CYS 15 2HB CYS 15 4.904 1.555 2.254 90 H ASN 16 H ASN 16 4.782 4.121 5.550 91 HA ASN 16 HA ASN 16 5.042 1.900 7.411 92 HB2 ASN 16 1HB ASN 16 5.621 4.214 8.113 93 HB3 ASN 16 2HB ASN 16 3.938 4.677 7.881 94 HD21 ASN 16 1HD2 ASN 16 3.382 5.145 9.928 95 HD22 ASN 16 2HD2 ASN 16 3.407 4.011 11.231 96 H GLU 17 H GLU 17 2.667 3.368 5.408 97 HA GLU 17 HA GLU 17 0.322 2.712 6.802 98 HB2 GLU 17 1HB GLU 17 0.624 2.749 3.799 99 HB3 GLU 17 2HB GLU 17 -0.837 3.043 4.731 100 HG2 GLU 17 1HG GLU 17 1.576 4.803 4.975 101 HG3 GLU 17 2HG GLU 17 0.354 5.055 3.730 102 H CYS 18 H CYS 18 1.877 0.961 4.109 103 HA CYS 18 HA CYS 18 0.579 -1.496 5.092 104 HB2 CYS 18 1HB CYS 18 0.576 -2.319 2.798 105 HB3 CYS 18 2HB CYS 18 -0.260 -0.772 2.886 106 H GLY 19 H GLY 19 3.474 -0.196 3.499 107 HA2 GLY 19 1HA GLY 19 5.574 -0.972 4.688 108 HA3 GLY 19 2HA GLY 19 4.944 -2.589 4.412 109 H LYS 20 H LYS 20 4.386 -0.252 1.954 110 HA LYS 20 HA LYS 20 5.741 -1.762 -0.008 111 HB2 LYS 20 1HB LYS 20 3.816 -0.237 -0.446 112 HB3 LYS 20 2HB LYS 20 4.883 1.133 -0.170 113 HG2 LYS 20 1HG LYS 20 4.703 0.846 -2.512 114 HG3 LYS 20 2HG LYS 20 6.310 0.283 -2.046 115 HD2 LYS 20 1HD LYS 20 5.590 -1.388 -3.483 116 HD3 LYS 20 2HD LYS 20 5.177 -2.046 -1.898 117 HE2 LYS 20 1HE LYS 20 2.886 -1.437 -2.160 118 HE3 LYS 20 2HE LYS 20 3.241 -0.499 -3.610 119 HZ1 LYS 20 3HZ LYS 20 3.697 -2.461 -4.820 120 HZ2 LYS 20 1HZ LYS 20 2.244 -2.743 -3.999 121 HZ3 LYS 20 2HZ LYS 20 3.683 -3.424 -3.429 122 H GLY 21 H GLY 21 7.521 -1.011 -1.379 123 HA2 GLY 21 1HA GLY 21 9.395 0.796 -0.004 124 HA3 GLY 21 2HA GLY 21 9.930 -0.810 -0.475 125 H PHE 22 H PHE 22 10.731 1.978 -1.305 126 HA PHE 22 HA PHE 22 10.716 1.434 -4.179 127 HB2 PHE 22 1HB PHE 22 10.046 4.133 -2.988 128 HB3 PHE 22 2HB PHE 22 10.228 3.782 -4.704 129 HD1 PHE 22 HD2 PHE 22 8.189 2.992 -1.714 130 HD2 PHE 22 HD1 PHE 22 8.427 2.988 -5.964 131 HE1 PHE 22 HE2 PHE 22 5.799 2.422 -1.845 132 HE2 PHE 22 HE1 PHE 22 6.038 2.418 -6.101 133 HZ PHE 22 HZ PHE 22 4.721 2.133 -4.040 134 H GLY 23 H GLY 23 12.262 3.047 -5.311 135 HA2 GLY 23 1HA GLY 23 14.754 2.988 -3.783 136 HA3 GLY 23 2HA GLY 23 14.606 3.210 -5.520 137 H ARG 24 H ARG 24 12.853 5.311 -5.691 138 HA ARG 24 HA ARG 24 14.497 7.484 -4.617 139 HB2 ARG 24 1HB ARG 24 12.364 7.606 -6.755 140 HB3 ARG 24 2HB ARG 24 13.501 8.879 -6.331 141 HG2 ARG 24 1HG ARG 24 14.305 6.195 -7.428 142 HG3 ARG 24 2HG ARG 24 14.073 7.645 -8.407 143 HD2 ARG 24 1HD ARG 24 15.823 8.786 -7.165 144 HD3 ARG 24 2HD ARG 24 16.025 7.378 -6.124 145 HE ARG 24 HE ARG 24 16.400 6.513 -8.730 146 HH11 ARG 24 1HH1 ARG 24 17.898 8.732 -6.505 147 HH12 ARG 24 2HH1 ARG 24 19.482 8.545 -7.182 148 HH21 ARG 24 1HH2 ARG 24 18.480 6.259 -9.631 149 HH22 ARG 24 2HH2 ARG 24 19.812 7.139 -8.961 150 H ARG 25 H ARG 25 13.434 9.433 -3.827 151 HA ARG 25 HA ARG 25 11.497 8.857 -1.857 152 HB2 ARG 25 1HB ARG 25 13.268 10.748 -1.944 153 HB3 ARG 25 2HB ARG 25 12.054 11.635 -2.857 154 HG2 ARG 25 1HG ARG 25 11.800 10.584 -0.049 155 HG3 ARG 25 2HG ARG 25 11.920 12.271 -0.553 156 HD2 ARG 25 1HD ARG 25 9.790 11.585 -1.987 157 HD3 ARG 25 2HD ARG 25 9.624 10.395 -0.696 158 HE ARG 25 HE ARG 25 10.022 13.128 0.172 159 HH11 ARG 25 1HH1 ARG 25 7.745 10.608 -0.595 160 HH12 ARG 25 2HH1 ARG 25 6.458 11.312 0.327 161 HH21 ARG 25 1HH2 ARG 25 8.335 14.064 1.388 162 HH22 ARG 25 2HH2 ARG 25 6.794 13.278 1.453 163 H SER 26 H SER 26 11.264 10.787 -4.845 164 HA SER 26 HA SER 26 8.540 11.372 -4.669 165 HB2 SER 26 1HB SER 26 8.656 11.972 -6.994 166 HB3 SER 26 2HB SER 26 10.194 12.419 -6.254 167 HG SER 26 HG SER 26 9.610 10.326 -8.033 168 H HIS 27 H HIS 27 10.201 8.511 -5.781 169 HA HIS 27 HA HIS 27 8.106 7.297 -7.203 170 HB2 HIS 27 1HB HIS 27 10.474 6.163 -5.721 171 HB3 HIS 27 2HB HIS 27 9.339 5.142 -6.597 172 HD1 HIS 27 HD1 HIS 27 12.255 5.207 -7.469 173 HD2 HIS 27 HD2 HIS 27 9.335 7.715 -9.034 174 HE1 HIS 27 HE1 HIS 27 13.117 5.920 -9.721 175 H LEU 28 H LEU 28 8.947 7.249 -3.774 176 HA LEU 28 HA LEU 28 6.810 5.420 -3.122 177 HB2 LEU 28 1HB LEU 28 8.621 5.151 -1.713 178 HB3 LEU 28 2HB LEU 28 8.907 6.885 -1.584 179 HG LEU 28 HG LEU 28 6.738 6.965 -0.234 180 HD11 LEU 28 1HD1 LEU 28 7.046 4.281 0.746 181 HD12 LEU 28 2HD1 LEU 28 6.655 4.270 -0.973 182 HD13 LEU 28 3HD1 LEU 28 5.598 5.105 0.166 183 HD21 LEU 28 3HD2 LEU 28 9.324 6.769 0.500 184 HD22 LEU 28 1HD2 LEU 28 8.659 5.349 1.308 185 HD23 LEU 28 2HD2 LEU 28 7.989 6.946 1.641 186 H ALA 29 H ALA 29 7.510 8.862 -2.594 187 HA ALA 29 HA ALA 29 5.461 9.721 -1.077 188 HB1 ALA 29 3HB ALA 29 6.012 11.222 -3.603 189 HB2 ALA 29 1HB ALA 29 5.736 11.835 -1.973 190 HB3 ALA 29 2HB ALA 29 7.267 11.055 -2.375 191 H GLY 30 H GLY 30 5.227 8.827 -4.492 192 HA2 GLY 30 1HA GLY 30 2.510 9.612 -4.805 193 HA3 GLY 30 2HA GLY 30 3.407 8.541 -5.870 194 H HIS 31 H HIS 31 4.064 6.620 -3.807 195 HA HIS 31 HA HIS 31 1.866 4.903 -4.042 196 HB2 HIS 31 1HB HIS 31 4.048 3.978 -3.674 197 HB3 HIS 31 2HB HIS 31 4.228 4.857 -2.159 198 HD1 HIS 31 HD1 HIS 31 2.273 1.990 -3.656 199 HD2 HIS 31 HD2 HIS 31 3.277 3.555 0.060 200 HE1 HIS 31 HE1 HIS 31 1.498 0.286 -1.977 201 H LEU 32 H LEU 32 2.549 7.404 -1.776 202 HA LEU 32 HA LEU 32 0.624 6.424 0.173 203 HB2 LEU 32 1HB LEU 32 2.240 8.969 0.115 204 HB3 LEU 32 2HB LEU 32 1.239 8.419 1.458 205 HG LEU 32 HG LEU 32 3.266 7.746 2.225 206 HD11 LEU 32 1HD1 LEU 32 2.458 5.496 0.393 207 HD12 LEU 32 2HD1 LEU 32 2.003 5.719 2.082 208 HD13 LEU 32 3HD1 LEU 32 3.677 5.359 1.661 209 HD21 LEU 32 3HD2 LEU 32 5.160 7.786 1.029 210 HD22 LEU 32 1HD2 LEU 32 4.154 8.458 -0.254 211 HD23 LEU 32 2HD2 LEU 32 4.506 6.730 -0.224 212 H ARG 33 H ARG 33 0.790 8.610 -2.490 213 HA ARG 33 HA ARG 33 -1.265 10.394 -1.862 214 HB2 ARG 33 1HB ARG 33 -0.131 9.370 -4.443 215 HB3 ARG 33 2HB ARG 33 -1.540 10.422 -4.456 216 HG2 ARG 33 1HG ARG 33 -0.030 11.922 -2.916 217 HG3 ARG 33 2HG ARG 33 1.270 11.020 -3.697 218 HD2 ARG 33 1HD ARG 33 0.927 12.975 -4.992 219 HD3 ARG 33 2HD ARG 33 0.225 11.637 -5.901 220 HE ARG 33 HE ARG 33 -1.696 12.951 -4.245 221 HH11 ARG 33 1HH1 ARG 33 -0.007 13.131 -7.284 222 HH12 ARG 33 2HH1 ARG 33 -1.238 14.070 -8.061 223 HH21 ARG 33 1HH2 ARG 33 -3.324 14.186 -5.258 224 HH22 ARG 33 2HH2 ARG 33 -3.124 14.670 -6.908 225 H LEU 34 H LEU 34 -1.360 7.104 -3.031 226 HA LEU 34 HA LEU 34 -4.184 7.190 -3.635 227 HB2 LEU 34 1HB LEU 34 -3.956 4.858 -4.186 228 HB3 LEU 34 2HB LEU 34 -2.637 5.773 -4.915 229 HG LEU 34 HG LEU 34 -1.295 4.998 -2.827 230 HD11 LEU 34 1HD1 LEU 34 -2.622 3.882 -1.391 231 HD12 LEU 34 2HD1 LEU 34 -2.275 2.519 -2.455 232 HD13 LEU 34 3HD1 LEU 34 -3.777 3.423 -2.644 233 HD21 LEU 34 3HD2 LEU 34 -0.443 3.187 -4.055 234 HD22 LEU 34 1HD2 LEU 34 -1.054 4.313 -5.267 235 HD23 LEU 34 2HD2 LEU 34 -1.993 2.882 -4.842 236 H HIS 35 H HIS 35 -2.249 6.679 -0.883 237 HA HIS 35 HA HIS 35 -4.040 4.947 0.533 238 HB2 HIS 35 1HB HIS 35 -1.541 6.431 1.164 239 HB3 HIS 35 2HB HIS 35 -2.578 5.987 2.517 240 HD1 HIS 35 HD1 HIS 35 -3.343 3.250 2.252 241 HD2 HIS 35 HD2 HIS 35 0.301 4.523 0.715 242 HE1 HIS 35 HE1 HIS 35 -1.940 1.173 2.040 243 H SER 36 H SER 36 -3.996 8.266 -0.176 244 HA SER 36 HA SER 36 -6.137 8.722 1.784 245 HB2 SER 36 1HB SER 36 -3.760 10.497 1.231 246 HB3 SER 36 2HB SER 36 -5.234 11.103 1.985 247 HG SER 36 HG SER 36 -3.211 9.716 3.090 248 H ARG 37 H ARG 37 -6.590 7.995 -0.832 249 HA ARG 37 HA ARG 37 -7.543 10.513 -2.031 250 HB2 ARG 37 1HB ARG 37 -7.216 9.612 -4.214 251 HB3 ARG 37 2HB ARG 37 -5.728 9.338 -3.318 252 HG2 ARG 37 1HG ARG 37 -6.118 7.050 -3.129 253 HG3 ARG 37 2HG ARG 37 -7.835 7.220 -3.500 254 HD2 ARG 37 1HD ARG 37 -6.247 6.290 -5.315 255 HD3 ARG 37 2HD ARG 37 -7.450 7.497 -5.768 256 HE ARG 37 HE ARG 37 -4.858 8.559 -5.056 257 HH11 ARG 37 1HH1 ARG 37 -6.927 7.402 -7.606 258 HH12 ARG 37 2HH1 ARG 37 -6.066 8.232 -8.859 259 HH21 ARG 37 1HH2 ARG 37 -3.716 9.657 -6.698 260 HH22 ARG 37 2HH2 ARG 37 -4.239 9.514 -8.342 261 H GLU 38 H GLU 38 -8.225 7.144 -1.319 262 HA GLU 38 HA GLU 38 -11.082 7.710 -1.703 263 HB2 GLU 38 1HB GLU 38 -9.905 6.302 -3.570 264 HB3 GLU 38 2HB GLU 38 -9.986 5.006 -2.385 265 HG2 GLU 38 1HG GLU 38 -12.454 5.441 -2.231 266 HG3 GLU 38 2HG GLU 38 -12.273 6.518 -3.614 267 H LYS 39 H LYS 39 -10.107 7.975 0.732 268 HA LYS 39 HA LYS 39 -10.930 5.507 2.111 269 HB2 LYS 39 1HB LYS 39 -9.325 6.227 3.951 270 HB3 LYS 39 2HB LYS 39 -8.599 5.592 2.481 271 HG2 LYS 39 1HG LYS 39 -7.278 7.407 2.767 272 HG3 LYS 39 2HG LYS 39 -8.572 8.165 1.836 273 HD2 LYS 39 1HD LYS 39 -8.401 9.648 3.572 274 HD3 LYS 39 2HD LYS 39 -9.611 8.544 4.228 275 HE2 LYS 39 1HE LYS 39 -8.046 8.886 5.959 276 HE3 LYS 39 2HE LYS 39 -7.691 7.291 5.299 277 HZ1 LYS 39 3HZ LYS 39 -6.233 9.795 4.646 278 HZ2 LYS 39 1HZ LYS 39 -5.891 8.263 4.014 279 HZ3 LYS 39 2HZ LYS 39 -5.674 8.565 5.664 280 H SER 40 H SER 40 -12.144 5.757 3.987 281 HA SER 40 HA SER 40 -12.742 8.388 5.012 282 HB2 SER 40 1HB SER 40 -15.192 8.185 4.612 283 HB3 SER 40 2HB SER 40 -14.266 8.349 3.121 284 HG SER 40 HG SER 40 -14.678 5.756 3.976 285 H SER 41 H SER 41 -13.706 8.347 7.042 286 HA SER 41 HA SER 41 -13.258 6.010 8.576 287 HB2 SER 41 1HB SER 41 -14.580 8.653 9.165 288 HB3 SER 41 2HB SER 41 -14.527 7.363 10.366 289 HG SER 41 HG SER 41 -12.425 8.861 9.262 290 H GLY 42 H GLY 42 -14.465 4.237 8.403 291 HA2 GLY 42 1HA GLY 42 -17.162 4.253 7.484 292 HA3 GLY 42 2HA GLY 42 -16.297 2.870 8.139 293 HA PRO 43 HA PRO 43 -19.584 3.692 11.190 294 HB2 PRO 43 1HB PRO 43 -19.784 1.102 11.977 295 HB3 PRO 43 2HB PRO 43 -20.610 1.738 10.550 296 HG2 PRO 43 1HG PRO 43 -18.056 0.186 10.727 297 HG3 PRO 43 2HG PRO 43 -19.395 0.008 9.579 298 HD2 PRO 43 1HD PRO 43 -17.106 1.313 8.955 299 HD3 PRO 43 2HD PRO 43 -18.682 1.773 8.279 300 H SER 44 H SER 44 -16.433 2.281 11.393 301 HA SER 44 HA SER 44 -16.139 1.609 14.030 302 HB2 SER 44 1HB SER 44 -14.235 2.942 12.113 303 HB3 SER 44 2HB SER 44 -13.744 2.523 13.754 304 HG SER 44 HG SER 44 -13.249 0.839 12.323 305 H SER 45 H SER 45 -16.615 2.654 15.833 306 HA SER 45 HA SER 45 -16.020 5.523 16.015 307 HB2 SER 45 1HB SER 45 -18.477 5.125 15.577 308 HB3 SER 45 2HB SER 45 -18.548 4.298 17.133 309 HG SER 45 HG SER 45 -18.069 6.189 18.160 310 H GLY 46 H GLY 46 -14.739 5.924 17.687 311 HA2 GLY 46 1HA GLY 46 -14.020 5.892 19.904 312 HA3 GLY 46 2HA GLY 46 -15.157 4.592 20.228 Start of MODEL 13 1 H1 GLY 1 H GLY 1 2.675 -13.672 22.844 2 HA2 GLY 1 1HA GLY 1 3.464 -15.547 21.511 3 HA3 GLY 1 2HA GLY 1 2.215 -15.161 20.337 4 H SER 2 H SER 2 4.500 -15.454 19.185 5 HA SER 2 HA SER 2 5.460 -12.720 18.687 6 HB2 SER 2 1HB SER 2 7.034 -14.332 20.045 7 HB3 SER 2 2HB SER 2 7.357 -15.028 18.458 8 HG SER 2 HG SER 2 7.603 -12.269 19.072 9 H SER 3 H SER 3 4.797 -12.232 16.704 10 HA SER 3 HA SER 3 5.620 -13.820 14.462 11 HB2 SER 3 1HB SER 3 2.706 -13.675 15.226 12 HB3 SER 3 2HB SER 3 3.218 -13.966 13.564 13 HG SER 3 HG SER 3 4.513 -15.737 14.529 14 H GLY 4 H GLY 4 4.777 -12.808 12.365 15 HA2 GLY 4 1HA GLY 4 3.714 -10.222 12.273 16 HA3 GLY 4 2HA GLY 4 5.463 -10.072 12.357 17 H SER 5 H SER 5 5.286 -9.063 10.252 18 HA SER 5 HA SER 5 4.934 -11.028 8.084 19 HB2 SER 5 1HB SER 5 3.274 -9.218 7.987 20 HB3 SER 5 2HB SER 5 4.571 -8.023 7.973 21 HG SER 5 HG SER 5 4.742 -8.324 5.910 22 H SER 6 H SER 6 6.332 -10.776 6.219 23 HA SER 6 HA SER 6 8.785 -9.252 6.651 24 HB2 SER 6 1HB SER 6 10.173 -11.252 6.085 25 HB3 SER 6 2HB SER 6 9.329 -11.400 7.626 26 HG SER 6 HG SER 6 8.447 -12.495 5.159 27 H GLY 7 H GLY 7 9.997 -8.868 4.748 28 HA2 GLY 7 1HA GLY 7 8.639 -9.624 2.239 29 HA3 GLY 7 2HA GLY 7 9.110 -7.958 2.541 30 H SER 8 H SER 8 10.154 -8.615 0.358 31 HA SER 8 HA SER 8 12.923 -9.408 0.950 32 HB2 SER 8 1HB SER 8 11.900 -11.322 -0.127 33 HB3 SER 8 2HB SER 8 11.259 -10.303 -1.415 34 HG SER 8 HG SER 8 13.657 -11.475 -1.246 35 H GLY 9 H GLY 9 14.057 -7.594 0.690 36 HA2 GLY 9 1HA GLY 9 14.983 -6.377 -1.394 37 HA3 GLY 9 2HA GLY 9 13.336 -5.775 -1.507 38 H GLU 10 H GLU 10 16.393 -5.178 -0.298 39 HA GLU 10 HA GLU 10 15.522 -3.574 1.961 40 HB2 GLU 10 1HB GLU 10 18.217 -4.229 0.790 41 HB3 GLU 10 2HB GLU 10 18.024 -3.017 2.049 42 HG2 GLU 10 1HG GLU 10 17.307 -4.599 3.620 43 HG3 GLU 10 2HG GLU 10 17.001 -5.815 2.380 44 H ARG 11 H ARG 11 14.189 -2.163 0.592 45 HA ARG 11 HA ARG 11 15.466 -0.414 -1.287 46 HB2 ARG 11 1HB ARG 11 12.724 -0.488 -0.044 47 HB3 ARG 11 2HB ARG 11 13.227 0.821 -1.105 48 HG2 ARG 11 1HG ARG 11 13.308 -2.074 -1.908 49 HG3 ARG 11 2HG ARG 11 11.921 -1.021 -2.194 50 HD2 ARG 11 1HD ARG 11 13.250 0.443 -3.564 51 HD3 ARG 11 2HD ARG 11 14.716 -0.453 -3.168 52 HE ARG 11 HE ARG 11 12.913 -2.238 -4.320 53 HH11 ARG 11 1HH1 ARG 11 14.742 0.587 -5.211 54 HH12 ARG 11 2HH1 ARG 11 14.880 0.132 -6.877 55 HH21 ARG 11 1HH2 ARG 11 13.088 -2.848 -6.511 56 HH22 ARG 11 2HH2 ARG 11 13.938 -1.821 -7.616 57 HA PRO 12 HA PRO 12 16.851 2.813 1.343 58 HB2 PRO 12 1HB PRO 12 16.378 5.004 -0.188 59 HB3 PRO 12 2HB PRO 12 17.666 3.846 -0.541 60 HG2 PRO 12 1HG PRO 12 14.939 4.074 -1.754 61 HG3 PRO 12 2HG PRO 12 16.495 3.774 -2.549 62 HD2 PRO 12 1HD PRO 12 14.729 1.793 -2.012 63 HD3 PRO 12 2HD PRO 12 16.486 1.535 -2.004 64 H PHE 13 H PHE 13 13.590 2.956 0.096 65 HA PHE 13 HA PHE 13 12.814 4.561 2.441 66 HB2 PHE 13 1HB PHE 13 11.825 4.752 -0.401 67 HB3 PHE 13 2HB PHE 13 10.903 5.393 0.956 68 HD1 PHE 13 HD1 PHE 13 14.273 5.571 -0.611 69 HD2 PHE 13 HD2 PHE 13 11.278 7.556 1.671 70 HE1 PHE 13 HE1 PHE 13 15.578 7.655 -0.716 71 HE2 PHE 13 HE2 PHE 13 12.577 9.643 1.568 72 HZ PHE 13 HZ PHE 13 14.730 9.694 0.373 73 H LYS 14 H LYS 14 10.393 4.321 2.891 74 HA LYS 14 HA LYS 14 9.213 1.803 2.118 75 HB2 LYS 14 1HB LYS 14 10.792 1.203 3.965 76 HB3 LYS 14 2HB LYS 14 9.883 2.270 5.028 77 HG2 LYS 14 1HG LYS 14 7.853 0.812 4.292 78 HG3 LYS 14 2HG LYS 14 9.101 -0.359 3.861 79 HD2 LYS 14 1HD LYS 14 9.929 -0.403 6.106 80 HD3 LYS 14 2HD LYS 14 8.892 0.948 6.570 81 HE2 LYS 14 1HE LYS 14 7.615 -1.498 5.459 82 HE3 LYS 14 2HE LYS 14 8.240 -1.558 7.107 83 HZ1 LYS 14 3HZ LYS 14 6.917 0.620 7.383 84 HZ2 LYS 14 1HZ LYS 14 6.082 -0.851 7.403 85 HZ3 LYS 14 2HZ LYS 14 6.074 0.107 6.009 86 H CYS 15 H CYS 15 7.011 1.603 2.763 87 HA CYS 15 HA CYS 15 5.764 4.194 3.275 88 HB2 CYS 15 1HB CYS 15 4.890 3.042 1.362 89 HB3 CYS 15 2HB CYS 15 4.665 1.560 2.285 90 H ASN 16 H ASN 16 4.924 4.720 5.180 91 HA ASN 16 HA ASN 16 4.917 2.778 7.325 92 HB2 ASN 16 1HB ASN 16 4.666 5.735 7.109 93 HB3 ASN 16 2HB ASN 16 3.925 4.965 8.509 94 HD21 ASN 16 1HD2 ASN 16 6.746 6.197 7.206 95 HD22 ASN 16 2HD2 ASN 16 7.863 5.581 8.372 96 H GLU 17 H GLU 17 2.991 2.506 5.109 97 HA GLU 17 HA GLU 17 0.502 2.667 6.680 98 HB2 GLU 17 1HB GLU 17 0.551 2.647 3.675 99 HB3 GLU 17 2HB GLU 17 -0.744 3.155 4.750 100 HG2 GLU 17 1HG GLU 17 1.840 4.639 4.764 101 HG3 GLU 17 2HG GLU 17 0.679 4.916 3.466 102 H CYS 18 H CYS 18 1.870 0.953 3.863 103 HA CYS 18 HA CYS 18 0.561 -1.498 4.839 104 HB2 CYS 18 1HB CYS 18 0.680 -2.304 2.512 105 HB3 CYS 18 2HB CYS 18 -0.229 -0.802 2.637 106 H GLY 19 H GLY 19 3.534 -0.252 3.351 107 HA2 GLY 19 1HA GLY 19 5.584 -1.076 4.574 108 HA3 GLY 19 2HA GLY 19 4.919 -2.680 4.304 109 H LYS 20 H LYS 20 4.548 -0.279 1.843 110 HA LYS 20 HA LYS 20 6.193 -1.865 0.052 111 HB2 LYS 20 1HB LYS 20 3.856 -0.697 -0.396 112 HB3 LYS 20 2HB LYS 20 4.878 0.674 -0.807 113 HG2 LYS 20 1HG LYS 20 4.836 -2.040 -2.097 114 HG3 LYS 20 2HG LYS 20 4.404 -0.488 -2.817 115 HD2 LYS 20 1HD LYS 20 6.846 0.173 -2.260 116 HD3 LYS 20 2HD LYS 20 7.113 -1.567 -2.127 117 HE2 LYS 20 1HE LYS 20 6.787 -1.924 -4.361 118 HE3 LYS 20 2HE LYS 20 5.694 -0.552 -4.533 119 HZ1 LYS 20 3HZ LYS 20 8.516 -0.677 -4.936 120 HZ2 LYS 20 1HZ LYS 20 8.099 0.562 -3.862 121 HZ3 LYS 20 2HZ LYS 20 7.415 0.517 -5.408 122 H GLY 21 H GLY 21 8.200 -1.369 -0.578 123 HA2 GLY 21 1HA GLY 21 9.242 1.292 0.174 124 HA3 GLY 21 2HA GLY 21 10.207 -0.177 0.178 125 H PHE 22 H PHE 22 10.370 2.488 -1.279 126 HA PHE 22 HA PHE 22 10.667 1.357 -3.983 127 HB2 PHE 22 1HB PHE 22 9.969 4.217 -3.283 128 HB3 PHE 22 2HB PHE 22 10.157 3.563 -4.907 129 HD1 PHE 22 HD2 PHE 22 8.220 2.865 -1.794 130 HD2 PHE 22 HD1 PHE 22 8.250 3.008 -6.048 131 HE1 PHE 22 HE2 PHE 22 5.832 2.276 -1.827 132 HE2 PHE 22 HE1 PHE 22 5.861 2.421 -6.088 133 HZ PHE 22 HZ PHE 22 4.649 2.052 -3.976 134 H GLY 23 H GLY 23 12.228 2.784 -5.328 135 HA2 GLY 23 1HA GLY 23 14.711 2.895 -3.827 136 HA3 GLY 23 2HA GLY 23 14.535 3.046 -5.569 137 H ARG 24 H ARG 24 12.747 5.135 -5.764 138 HA ARG 24 HA ARG 24 14.411 7.354 -4.815 139 HB2 ARG 24 1HB ARG 24 12.348 7.192 -7.016 140 HB3 ARG 24 2HB ARG 24 13.152 8.680 -6.535 141 HG2 ARG 24 1HG ARG 24 15.273 7.851 -7.232 142 HG3 ARG 24 2HG ARG 24 14.617 6.232 -7.486 143 HD2 ARG 24 1HD ARG 24 13.149 7.152 -9.254 144 HD3 ARG 24 2HD ARG 24 13.918 8.723 -9.036 145 HE ARG 24 HE ARG 24 15.743 7.961 -10.200 146 HH11 ARG 24 1HH1 ARG 24 13.706 5.271 -9.343 147 HH12 ARG 24 2HH1 ARG 24 14.571 4.135 -10.323 148 HH21 ARG 24 1HH2 ARG 24 16.890 6.474 -11.495 149 HH22 ARG 24 2HH2 ARG 24 16.383 4.820 -11.547 150 H ARG 25 H ARG 25 13.509 9.177 -3.813 151 HA ARG 25 HA ARG 25 11.509 8.686 -1.925 152 HB2 ARG 25 1HB ARG 25 13.338 10.499 -1.944 153 HB3 ARG 25 2HB ARG 25 12.204 11.445 -2.899 154 HG2 ARG 25 1HG ARG 25 11.798 10.413 -0.102 155 HG3 ARG 25 2HG ARG 25 12.020 12.091 -0.602 156 HD2 ARG 25 1HD ARG 25 9.913 11.550 -2.101 157 HD3 ARG 25 2HD ARG 25 9.643 10.321 -0.866 158 HE ARG 25 HE ARG 25 9.367 13.173 -0.571 159 HH11 ARG 25 1HH1 ARG 25 9.848 10.140 1.067 160 HH12 ARG 25 2HH1 ARG 25 9.232 10.711 2.583 161 HH21 ARG 25 1HH2 ARG 25 8.555 13.938 1.418 162 HH22 ARG 25 2HH2 ARG 25 8.496 12.872 2.781 163 H SER 26 H SER 26 11.319 10.890 -4.728 164 HA SER 26 HA SER 26 8.621 11.467 -4.578 165 HB2 SER 26 1HB SER 26 8.764 12.002 -6.996 166 HB3 SER 26 2HB SER 26 10.122 12.660 -6.085 167 HG SER 26 HG SER 26 11.412 11.009 -6.859 168 H HIS 27 H HIS 27 10.214 8.635 -5.871 169 HA HIS 27 HA HIS 27 8.069 7.552 -7.326 170 HB2 HIS 27 1HB HIS 27 10.578 6.483 -6.132 171 HB3 HIS 27 2HB HIS 27 9.340 5.321 -6.599 172 HD1 HIS 27 HD1 HIS 27 11.170 4.531 -8.385 173 HD2 HIS 27 HD2 HIS 27 9.542 8.304 -8.993 174 HE1 HIS 27 HE1 HIS 27 11.725 5.126 -10.764 175 H LEU 28 H LEU 28 8.960 7.304 -3.922 176 HA LEU 28 HA LEU 28 6.827 5.451 -3.333 177 HB2 LEU 28 1HB LEU 28 8.652 5.120 -1.955 178 HB3 LEU 28 2HB LEU 28 8.940 6.847 -1.752 179 HG LEU 28 HG LEU 28 6.838 6.906 -0.348 180 HD11 LEU 28 1HD1 LEU 28 5.599 5.090 -0.036 181 HD12 LEU 28 2HD1 LEU 28 7.009 4.122 0.391 182 HD13 LEU 28 3HD1 LEU 28 6.548 4.309 -1.301 183 HD21 LEU 28 3HD2 LEU 28 8.074 6.605 1.530 184 HD22 LEU 28 1HD2 LEU 28 9.388 6.560 0.354 185 HD23 LEU 28 2HD2 LEU 28 8.723 5.056 0.991 186 H ALA 29 H ALA 29 7.537 8.859 -2.611 187 HA ALA 29 HA ALA 29 5.513 9.656 -1.047 188 HB1 ALA 29 3HB ALA 29 5.542 11.534 -3.182 189 HB2 ALA 29 1HB ALA 29 6.314 11.647 -1.600 190 HB3 ALA 29 2HB ALA 29 7.180 10.921 -2.955 191 H GLY 30 H GLY 30 5.202 8.973 -4.514 192 HA2 GLY 30 1HA GLY 30 2.472 9.720 -4.714 193 HA3 GLY 30 2HA GLY 30 3.352 8.711 -5.852 194 H HIS 31 H HIS 31 4.075 6.669 -3.972 195 HA HIS 31 HA HIS 31 1.904 4.946 -4.223 196 HB2 HIS 31 1HB HIS 31 4.084 4.022 -3.912 197 HB3 HIS 31 2HB HIS 31 4.294 4.865 -2.380 198 HD1 HIS 31 HD1 HIS 31 2.511 1.931 -3.907 199 HD2 HIS 31 HD2 HIS 31 3.224 3.587 -0.164 200 HE1 HIS 31 HE1 HIS 31 1.745 0.202 -2.250 201 H LEU 32 H LEU 32 2.480 7.415 -1.930 202 HA LEU 32 HA LEU 32 0.621 6.302 0.021 203 HB2 LEU 32 1HB LEU 32 2.171 8.887 0.036 204 HB3 LEU 32 2HB LEU 32 1.188 8.275 1.364 205 HG LEU 32 HG LEU 32 3.231 7.626 2.108 206 HD11 LEU 32 1HD1 LEU 32 3.704 5.265 1.443 207 HD12 LEU 32 2HD1 LEU 32 2.447 5.419 0.216 208 HD13 LEU 32 3HD1 LEU 32 2.035 5.573 1.923 209 HD21 LEU 32 3HD2 LEU 32 4.098 8.435 -0.349 210 HD22 LEU 32 1HD2 LEU 32 4.489 6.716 -0.372 211 HD23 LEU 32 2HD2 LEU 32 5.121 7.746 0.912 212 H ARG 33 H ARG 33 0.751 8.663 -2.516 213 HA ARG 33 HA ARG 33 -1.350 10.345 -1.839 214 HB2 ARG 33 1HB ARG 33 -0.198 9.429 -4.448 215 HB3 ARG 33 2HB ARG 33 -1.658 10.410 -4.442 216 HG2 ARG 33 1HG ARG 33 -0.227 11.954 -2.872 217 HG3 ARG 33 2HG ARG 33 1.118 11.133 -3.666 218 HD2 ARG 33 1HD ARG 33 0.565 13.183 -4.842 219 HD3 ARG 33 2HD ARG 33 0.209 11.781 -5.850 220 HE ARG 33 HE ARG 33 -2.164 12.262 -4.696 221 HH11 ARG 33 1HH1 ARG 33 0.104 14.344 -6.320 222 HH12 ARG 33 2HH1 ARG 33 -1.113 15.430 -6.906 223 HH21 ARG 33 1HH2 ARG 33 -3.775 13.684 -5.462 224 HH22 ARG 33 2HH2 ARG 33 -3.319 15.054 -6.417 225 H LEU 34 H LEU 34 -1.396 7.100 -3.154 226 HA LEU 34 HA LEU 34 -4.197 7.121 -3.775 227 HB2 LEU 34 1HB LEU 34 -3.883 4.675 -4.067 228 HB3 LEU 34 2HB LEU 34 -2.789 5.666 -5.030 229 HG LEU 34 HG LEU 34 -1.190 5.223 -2.946 230 HD11 LEU 34 1HD1 LEU 34 -1.530 2.745 -2.383 231 HD12 LEU 34 2HD1 LEU 34 -3.193 2.993 -2.915 232 HD13 LEU 34 3HD1 LEU 34 -2.551 3.928 -1.565 233 HD21 LEU 34 3HD2 LEU 34 -0.234 4.589 -4.893 234 HD22 LEU 34 1HD2 LEU 34 -1.694 3.794 -5.480 235 HD23 LEU 34 2HD2 LEU 34 -0.654 2.977 -4.313 236 H HIS 35 H HIS 35 -2.285 6.506 -0.974 237 HA HIS 35 HA HIS 35 -4.160 4.882 0.428 238 HB2 HIS 35 1HB HIS 35 -1.655 6.339 1.106 239 HB3 HIS 35 2HB HIS 35 -2.732 5.922 2.436 240 HD1 HIS 35 HD1 HIS 35 -3.482 3.213 2.297 241 HD2 HIS 35 HD2 HIS 35 0.126 4.381 0.602 242 HE1 HIS 35 HE1 HIS 35 -2.115 1.111 2.112 243 H SER 36 H SER 36 -3.605 8.338 0.158 244 HA SER 36 HA SER 36 -5.630 8.919 2.169 245 HB2 SER 36 1HB SER 36 -3.371 10.208 1.722 246 HB3 SER 36 2HB SER 36 -4.336 11.046 0.507 247 HG SER 36 HG SER 36 -5.521 10.782 2.990 248 H ARG 37 H ARG 37 -6.604 7.546 -0.065 249 HA ARG 37 HA ARG 37 -7.840 9.459 -1.848 250 HB2 ARG 37 1HB ARG 37 -8.673 7.601 -3.045 251 HB3 ARG 37 2HB ARG 37 -7.066 7.128 -2.509 252 HG2 ARG 37 1HG ARG 37 -8.302 6.061 -0.508 253 HG3 ARG 37 2HG ARG 37 -9.730 6.189 -1.538 254 HD2 ARG 37 1HD ARG 37 -8.611 4.895 -3.271 255 HD3 ARG 37 2HD ARG 37 -7.156 4.803 -2.281 256 HE ARG 37 HE ARG 37 -9.546 3.742 -1.049 257 HH11 ARG 37 1HH1 ARG 37 -6.726 3.075 -2.979 258 HH12 ARG 37 2HH1 ARG 37 -6.715 1.382 -2.612 259 HH21 ARG 37 1HH2 ARG 37 -9.542 1.514 -0.559 260 HH22 ARG 37 2HH2 ARG 37 -8.318 0.495 -1.237 261 H GLU 38 H GLU 38 -10.220 9.398 -2.203 262 HA GLU 38 HA GLU 38 -12.192 10.149 -1.252 263 HB2 GLU 38 1HB GLU 38 -11.869 7.255 -0.514 264 HB3 GLU 38 2HB GLU 38 -13.322 8.139 -0.067 265 HG2 GLU 38 1HG GLU 38 -13.998 8.404 -2.259 266 HG3 GLU 38 2HG GLU 38 -12.374 8.152 -2.897 267 H LYS 39 H LYS 39 -9.994 10.950 0.345 268 HA LYS 39 HA LYS 39 -11.141 10.724 3.051 269 HB2 LYS 39 1HB LYS 39 -8.974 9.713 3.062 270 HB3 LYS 39 2HB LYS 39 -8.274 11.059 2.173 271 HG2 LYS 39 1HG LYS 39 -8.134 12.389 4.015 272 HG3 LYS 39 2HG LYS 39 -9.524 11.636 4.801 273 HD2 LYS 39 1HD LYS 39 -8.196 9.663 5.306 274 HD3 LYS 39 2HD LYS 39 -6.812 10.355 4.456 275 HE2 LYS 39 1HE LYS 39 -6.270 10.929 6.597 276 HE3 LYS 39 2HE LYS 39 -7.222 12.343 6.148 277 HZ1 LYS 39 3HZ LYS 39 -7.699 11.116 8.362 278 HZ2 LYS 39 1HZ LYS 39 -8.558 10.035 7.384 279 HZ3 LYS 39 2HZ LYS 39 -8.991 11.670 7.421 280 H SER 40 H SER 40 -9.289 12.899 0.926 281 HA SER 40 HA SER 40 -9.789 15.216 2.497 282 HB2 SER 40 1HB SER 40 -7.866 15.276 1.101 283 HB3 SER 40 2HB SER 40 -8.797 14.818 -0.326 284 HG SER 40 HG SER 40 -9.000 16.874 -0.654 285 H SER 41 H SER 41 -11.235 13.916 -0.467 286 HA SER 41 HA SER 41 -13.110 16.065 -0.729 287 HB2 SER 41 1HB SER 41 -13.219 13.332 -2.023 288 HB3 SER 41 2HB SER 41 -14.039 14.797 -2.565 289 HG SER 41 HG SER 41 -11.564 15.492 -2.453 290 H GLY 42 H GLY 42 -14.789 16.350 0.573 291 HA2 GLY 42 1HA GLY 42 -16.018 13.979 1.823 292 HA3 GLY 42 2HA GLY 42 -16.070 15.607 2.484 293 HA PRO 43 HA PRO 43 -19.517 14.678 -0.828 294 HB2 PRO 43 1HB PRO 43 -21.087 12.746 0.257 295 HB3 PRO 43 2HB PRO 43 -19.757 12.393 -0.853 296 HG2 PRO 43 1HG PRO 43 -19.823 12.235 2.136 297 HG3 PRO 43 2HG PRO 43 -19.118 11.099 0.970 298 HD2 PRO 43 1HD PRO 43 -17.625 12.894 2.341 299 HD3 PRO 43 2HD PRO 43 -17.213 12.367 0.696 300 H SER 44 H SER 44 -21.709 15.384 -0.623 301 HA SER 44 HA SER 44 -22.408 16.390 2.057 302 HB2 SER 44 1HB SER 44 -23.443 18.359 0.894 303 HB3 SER 44 2HB SER 44 -21.688 18.281 0.746 304 HG SER 44 HG SER 44 -22.331 18.627 -1.289 305 H SER 45 H SER 45 -23.284 13.929 1.096 306 HA SER 45 HA SER 45 -26.143 14.472 0.627 307 HB2 SER 45 1HB SER 45 -26.234 12.293 -0.588 308 HB3 SER 45 2HB SER 45 -25.218 13.493 -1.388 309 HG SER 45 HG SER 45 -23.404 12.453 -0.562 310 H GLY 46 H GLY 46 -25.073 14.342 3.184 311 HA2 GLY 46 1HA GLY 46 -25.037 11.836 4.407 312 HA3 GLY 46 2HA GLY 46 -25.459 13.340 5.212 Start of MODEL 14 1 H1 GLY 1 H GLY 1 22.763 -17.072 21.614 2 HA2 GLY 1 1HA GLY 1 22.365 -14.651 22.905 3 HA3 GLY 1 2HA GLY 1 24.095 -14.769 22.617 4 H SER 2 H SER 2 24.834 -14.986 20.414 5 HA SER 2 HA SER 2 23.950 -13.130 18.663 6 HB2 SER 2 1HB SER 2 25.178 -14.239 16.933 7 HB3 SER 2 2HB SER 2 26.024 -14.563 18.446 8 HG SER 2 HG SER 2 25.823 -16.479 17.306 9 H SER 3 H SER 3 22.404 -12.886 17.132 10 HA SER 3 HA SER 3 20.700 -15.158 16.443 11 HB2 SER 3 1HB SER 3 19.649 -12.552 17.570 12 HB3 SER 3 2HB SER 3 18.649 -13.819 16.859 13 HG SER 3 HG SER 3 19.121 -13.705 19.301 14 H GLY 4 H GLY 4 19.041 -14.438 14.726 15 HA2 GLY 4 1HA GLY 4 20.532 -12.903 12.722 16 HA3 GLY 4 2HA GLY 4 19.205 -14.009 12.399 17 H SER 5 H SER 5 18.364 -12.290 11.046 18 HA SER 5 HA SER 5 16.421 -10.721 12.434 19 HB2 SER 5 1HB SER 5 18.898 -9.421 11.384 20 HB3 SER 5 2HB SER 5 17.366 -8.566 11.206 21 HG SER 5 HG SER 5 17.676 -7.988 13.196 22 H SER 6 H SER 6 14.755 -11.281 11.188 23 HA SER 6 HA SER 6 14.997 -11.760 8.379 24 HB2 SER 6 1HB SER 6 13.330 -12.822 10.049 25 HB3 SER 6 2HB SER 6 12.381 -11.354 9.815 26 HG SER 6 HG SER 6 11.704 -12.192 8.025 27 H GLY 7 H GLY 7 15.747 -9.839 7.458 28 HA2 GLY 7 1HA GLY 7 13.980 -7.497 7.666 29 HA3 GLY 7 2HA GLY 7 15.639 -7.477 7.089 30 H SER 8 H SER 8 12.467 -7.312 6.160 31 HA SER 8 HA SER 8 13.053 -8.304 3.450 32 HB2 SER 8 1HB SER 8 10.535 -8.151 5.061 33 HB3 SER 8 2HB SER 8 10.429 -8.068 3.302 34 HG SER 8 HG SER 8 10.505 -10.228 4.636 35 H GLY 9 H GLY 9 14.093 -5.843 4.146 36 HA2 GLY 9 1HA GLY 9 12.588 -4.110 2.327 37 HA3 GLY 9 2HA GLY 9 12.931 -3.496 3.938 38 H GLU 10 H GLU 10 14.271 -4.344 0.837 39 HA GLU 10 HA GLU 10 16.883 -3.277 1.659 40 HB2 GLU 10 1HB GLU 10 16.131 -4.879 -0.793 41 HB3 GLU 10 2HB GLU 10 17.751 -4.316 -0.403 42 HG2 GLU 10 1HG GLU 10 16.135 -6.210 1.287 43 HG3 GLU 10 2HG GLU 10 17.384 -6.690 0.139 44 H ARG 11 H ARG 11 15.093 -1.315 1.451 45 HA ARG 11 HA ARG 11 15.853 0.015 -1.056 46 HB2 ARG 11 1HB ARG 11 13.120 -0.370 0.074 47 HB3 ARG 11 2HB ARG 11 13.479 1.157 -0.720 48 HG2 ARG 11 1HG ARG 11 12.567 -0.158 -2.405 49 HG3 ARG 11 2HG ARG 11 14.307 -0.268 -2.677 50 HD2 ARG 11 1HD ARG 11 14.419 -2.449 -1.938 51 HD3 ARG 11 2HD ARG 11 12.967 -2.298 -0.950 52 HE ARG 11 HE ARG 11 13.104 -2.950 -3.768 53 HH11 ARG 11 1HH1 ARG 11 11.118 -1.914 -1.103 54 HH12 ARG 11 2HH1 ARG 11 9.634 -2.416 -1.843 55 HH21 ARG 11 1HH2 ARG 11 11.157 -3.614 -4.753 56 HH22 ARG 11 2HH2 ARG 11 9.658 -3.384 -3.920 57 HA PRO 12 HA PRO 12 16.996 3.461 1.406 58 HB2 PRO 12 1HB PRO 12 16.276 5.556 -0.164 59 HB3 PRO 12 2HB PRO 12 17.648 4.506 -0.534 60 HG2 PRO 12 1HG PRO 12 14.871 4.457 -1.649 61 HG3 PRO 12 2HG PRO 12 16.419 4.272 -2.494 62 HD2 PRO 12 1HD PRO 12 14.856 2.160 -1.839 63 HD3 PRO 12 2HD PRO 12 16.628 2.057 -1.890 64 H PHE 13 H PHE 13 13.699 3.431 0.175 65 HA PHE 13 HA PHE 13 12.853 4.888 2.589 66 HB2 PHE 13 1HB PHE 13 11.778 5.157 -0.222 67 HB3 PHE 13 2HB PHE 13 10.961 5.801 1.199 68 HD1 PHE 13 HD1 PHE 13 13.944 6.080 -0.934 69 HD2 PHE 13 HD2 PHE 13 11.714 7.791 2.262 70 HE1 PHE 13 HE1 PHE 13 15.286 8.135 -1.102 71 HE2 PHE 13 HE2 PHE 13 13.052 9.849 2.098 72 HZ PHE 13 HZ PHE 13 14.840 10.024 0.414 73 H LYS 14 H LYS 14 10.475 4.517 3.062 74 HA LYS 14 HA LYS 14 9.355 2.029 2.119 75 HB2 LYS 14 1HB LYS 14 10.754 1.041 3.746 76 HB3 LYS 14 2HB LYS 14 10.449 2.325 4.908 77 HG2 LYS 14 1HG LYS 14 8.141 0.690 4.012 78 HG3 LYS 14 2HG LYS 14 9.311 -0.049 5.108 79 HD2 LYS 14 1HD LYS 14 9.015 2.148 6.473 80 HD3 LYS 14 2HD LYS 14 7.516 2.303 5.554 81 HE2 LYS 14 1HE LYS 14 6.785 1.154 7.406 82 HE3 LYS 14 2HE LYS 14 7.145 -0.173 6.302 83 HZ1 LYS 14 3HZ LYS 14 8.031 -0.155 8.759 84 HZ2 LYS 14 1HZ LYS 14 9.282 0.754 8.073 85 HZ3 LYS 14 2HZ LYS 14 8.954 -0.804 7.500 86 H CYS 15 H CYS 15 7.171 1.726 2.753 87 HA CYS 15 HA CYS 15 5.878 4.221 3.575 88 HB2 CYS 15 1HB CYS 15 4.969 3.450 1.541 89 HB3 CYS 15 2HB CYS 15 4.919 1.781 2.098 90 H ASN 16 H ASN 16 4.527 4.373 5.318 91 HA ASN 16 HA ASN 16 4.735 2.218 7.273 92 HB2 ASN 16 1HB ASN 16 3.692 5.046 7.548 93 HB3 ASN 16 2HB ASN 16 3.846 3.891 8.869 94 HD21 ASN 16 1HD2 ASN 16 5.481 4.446 10.101 95 HD22 ASN 16 2HD2 ASN 16 7.035 4.970 9.559 96 H GLU 17 H GLU 17 2.437 3.693 5.159 97 HA GLU 17 HA GLU 17 0.034 3.069 6.426 98 HB2 GLU 17 1HB GLU 17 0.517 2.973 3.447 99 HB3 GLU 17 2HB GLU 17 -1.008 3.277 4.268 100 HG2 GLU 17 1HG GLU 17 1.362 5.088 4.579 101 HG3 GLU 17 2HG GLU 17 0.195 5.274 3.272 102 H CYS 18 H CYS 18 1.712 1.183 3.903 103 HA CYS 18 HA CYS 18 0.378 -1.223 4.961 104 HB2 CYS 18 1HB CYS 18 0.461 -2.157 2.695 105 HB3 CYS 18 2HB CYS 18 -0.435 -0.642 2.721 106 H GLY 19 H GLY 19 3.312 0.038 3.420 107 HA2 GLY 19 1HA GLY 19 5.389 -0.674 4.651 108 HA3 GLY 19 2HA GLY 19 4.764 -2.308 4.478 109 H LYS 20 H LYS 20 4.357 -0.014 1.906 110 HA LYS 20 HA LYS 20 5.748 -1.698 0.069 111 HB2 LYS 20 1HB LYS 20 3.764 -0.288 -0.513 112 HB3 LYS 20 2HB LYS 20 4.784 1.135 -0.357 113 HG2 LYS 20 1HG LYS 20 4.630 0.617 -2.665 114 HG3 LYS 20 2HG LYS 20 6.255 0.175 -2.136 115 HD2 LYS 20 1HD LYS 20 5.520 -1.613 -3.487 116 HD3 LYS 20 2HD LYS 20 5.352 -2.179 -1.824 117 HE2 LYS 20 1HE LYS 20 2.932 -1.327 -2.002 118 HE3 LYS 20 2HE LYS 20 3.218 -1.300 -3.741 119 HZ1 LYS 20 3HZ LYS 20 4.111 -3.758 -2.862 120 HZ2 LYS 20 1HZ LYS 20 2.708 -3.441 -3.754 121 HZ3 LYS 20 2HZ LYS 20 2.639 -3.509 -2.065 122 H GLY 21 H GLY 21 7.525 -0.979 -1.324 123 HA2 GLY 21 1HA GLY 21 9.296 0.993 -0.038 124 HA3 GLY 21 2HA GLY 21 9.903 -0.609 -0.430 125 H PHE 22 H PHE 22 10.678 2.108 -1.382 126 HA PHE 22 HA PHE 22 10.665 1.455 -4.230 127 HB2 PHE 22 1HB PHE 22 9.939 4.194 -3.168 128 HB3 PHE 22 2HB PHE 22 10.115 3.757 -4.864 129 HD1 PHE 22 HD2 PHE 22 8.146 2.962 -1.818 130 HD2 PHE 22 HD1 PHE 22 8.291 2.987 -6.072 131 HE1 PHE 22 HE2 PHE 22 5.767 2.338 -1.899 132 HE2 PHE 22 HE1 PHE 22 5.912 2.364 -6.160 133 HZ PHE 22 HZ PHE 22 4.647 2.038 -4.072 134 H GLY 23 H GLY 23 12.319 2.630 -5.449 135 HA2 GLY 23 1HA GLY 23 14.741 2.861 -3.883 136 HA3 GLY 23 2HA GLY 23 14.615 2.946 -5.634 137 H ARG 24 H ARG 24 12.662 5.019 -5.751 138 HA ARG 24 HA ARG 24 14.366 7.284 -4.983 139 HB2 ARG 24 1HB ARG 24 12.232 6.984 -7.096 140 HB3 ARG 24 2HB ARG 24 12.936 8.536 -6.662 141 HG2 ARG 24 1HG ARG 24 14.104 7.823 -8.564 142 HG3 ARG 24 2HG ARG 24 15.187 7.509 -7.206 143 HD2 ARG 24 1HD ARG 24 14.769 5.198 -7.268 144 HD3 ARG 24 2HD ARG 24 13.339 5.401 -8.280 145 HE ARG 24 HE ARG 24 15.276 6.333 -9.875 146 HH11 ARG 24 1HH1 ARG 24 15.048 3.431 -7.966 147 HH12 ARG 24 2HH1 ARG 24 16.038 2.494 -9.035 148 HH21 ARG 24 1HH2 ARG 24 16.581 5.110 -11.291 149 HH22 ARG 24 2HH2 ARG 24 16.911 3.450 -10.925 150 H ARG 25 H ARG 25 13.561 9.034 -3.859 151 HA ARG 25 HA ARG 25 11.611 8.575 -1.926 152 HB2 ARG 25 1HB ARG 25 13.486 10.405 -2.120 153 HB3 ARG 25 2HB ARG 25 12.200 11.362 -2.843 154 HG2 ARG 25 1HG ARG 25 11.866 10.020 -0.183 155 HG3 ARG 25 2HG ARG 25 12.600 11.617 -0.343 156 HD2 ARG 25 1HD ARG 25 9.944 11.021 -1.592 157 HD3 ARG 25 2HD ARG 25 10.059 11.434 0.118 158 HE ARG 25 HE ARG 25 10.497 13.198 -2.139 159 HH11 ARG 25 1HH1 ARG 25 10.845 12.679 1.285 160 HH12 ARG 25 2HH1 ARG 25 11.000 14.364 1.657 161 HH21 ARG 25 1HH2 ARG 25 10.699 15.420 -1.662 162 HH22 ARG 25 2HH2 ARG 25 10.916 15.922 -0.020 163 H SER 26 H SER 26 11.372 10.636 -4.828 164 HA SER 26 HA SER 26 8.689 11.330 -4.548 165 HB2 SER 26 1HB SER 26 10.039 12.519 -6.129 166 HB3 SER 26 2HB SER 26 10.406 11.041 -7.019 167 HG SER 26 HG SER 26 7.976 12.471 -6.889 168 H HIS 27 H HIS 27 10.174 8.461 -5.909 169 HA HIS 27 HA HIS 27 7.955 7.397 -7.245 170 HB2 HIS 27 1HB HIS 27 10.473 6.275 -6.107 171 HB3 HIS 27 2HB HIS 27 9.194 5.148 -6.550 172 HD1 HIS 27 HD1 HIS 27 10.948 4.301 -8.378 173 HD2 HIS 27 HD2 HIS 27 9.447 8.134 -8.940 174 HE1 HIS 27 HE1 HIS 27 11.475 4.886 -10.766 175 H LEU 28 H LEU 28 8.930 7.240 -3.866 176 HA LEU 28 HA LEU 28 6.818 5.405 -3.161 177 HB2 LEU 28 1HB LEU 28 8.668 5.128 -1.809 178 HB3 LEU 28 2HB LEU 28 8.964 6.861 -1.685 179 HG LEU 28 HG LEU 28 6.907 6.991 -0.231 180 HD11 LEU 28 1HD1 LEU 28 6.626 4.320 -1.057 181 HD12 LEU 28 2HD1 LEU 28 5.628 5.211 0.092 182 HD13 LEU 28 3HD1 LEU 28 7.010 4.276 0.664 183 HD21 LEU 28 3HD2 LEU 28 8.939 5.170 0.996 184 HD22 LEU 28 1HD2 LEU 28 8.121 6.568 1.694 185 HD23 LEU 28 2HD2 LEU 28 9.388 6.799 0.490 186 H ALA 29 H ALA 29 7.556 8.814 -2.431 187 HA ALA 29 HA ALA 29 5.514 9.625 -0.909 188 HB1 ALA 29 3HB ALA 29 6.963 10.904 -3.136 189 HB2 ALA 29 1HB ALA 29 5.457 11.678 -2.643 190 HB3 ALA 29 2HB ALA 29 6.748 11.430 -1.467 191 H GLY 30 H GLY 30 5.252 8.988 -4.390 192 HA2 GLY 30 1HA GLY 30 2.531 9.757 -4.620 193 HA3 GLY 30 2HA GLY 30 3.421 8.758 -5.759 194 H HIS 31 H HIS 31 4.100 6.677 -3.917 195 HA HIS 31 HA HIS 31 1.927 4.972 -4.223 196 HB2 HIS 31 1HB HIS 31 4.085 4.022 -3.875 197 HB3 HIS 31 2HB HIS 31 4.284 4.863 -2.341 198 HD1 HIS 31 HD1 HIS 31 2.356 2.011 -3.887 199 HD2 HIS 31 HD2 HIS 31 3.316 3.529 -0.141 200 HE1 HIS 31 HE1 HIS 31 1.590 0.271 -2.240 201 H LEU 32 H LEU 32 2.497 7.387 -1.855 202 HA LEU 32 HA LEU 32 0.574 6.267 0.025 203 HB2 LEU 32 1HB LEU 32 2.162 8.828 0.112 204 HB3 LEU 32 2HB LEU 32 1.125 8.228 1.404 205 HG LEU 32 HG LEU 32 3.115 7.516 2.215 206 HD11 LEU 32 1HD1 LEU 32 2.384 5.367 0.237 207 HD12 LEU 32 2HD1 LEU 32 1.910 5.481 1.931 208 HD13 LEU 32 3HD1 LEU 32 3.592 5.166 1.506 209 HD21 LEU 32 3HD2 LEU 32 4.149 8.449 -0.066 210 HD22 LEU 32 1HD2 LEU 32 4.388 6.723 -0.335 211 HD23 LEU 32 2HD2 LEU 32 5.082 7.497 1.090 212 H ARG 33 H ARG 33 0.777 8.659 -2.475 213 HA ARG 33 HA ARG 33 -1.292 10.377 -1.837 214 HB2 ARG 33 1HB ARG 33 -0.299 9.352 -4.488 215 HB3 ARG 33 2HB ARG 33 -1.596 10.535 -4.380 216 HG2 ARG 33 1HG ARG 33 -0.181 12.156 -3.433 217 HG3 ARG 33 2HG ARG 33 1.073 10.966 -3.079 218 HD2 ARG 33 1HD ARG 33 1.940 11.955 -4.958 219 HD3 ARG 33 2HD ARG 33 1.042 10.618 -5.675 220 HE ARG 33 HE ARG 33 -0.782 12.561 -5.733 221 HH11 ARG 33 1HH1 ARG 33 2.580 12.561 -6.636 222 HH12 ARG 33 2HH1 ARG 33 2.386 13.771 -7.861 223 HH21 ARG 33 1HH2 ARG 33 -1.051 14.155 -7.342 224 HH22 ARG 33 2HH2 ARG 33 0.320 14.678 -8.261 225 H LEU 34 H LEU 34 -1.425 7.127 -3.154 226 HA LEU 34 HA LEU 34 -4.228 7.206 -3.740 227 HB2 LEU 34 1HB LEU 34 -3.978 4.755 -4.020 228 HB3 LEU 34 2HB LEU 34 -2.855 5.708 -4.988 229 HG LEU 34 HG LEU 34 -1.209 5.246 -3.011 230 HD11 LEU 34 1HD1 LEU 34 -2.294 4.123 -1.375 231 HD12 LEU 34 2HD1 LEU 34 -1.839 2.732 -2.358 232 HD13 LEU 34 3HD1 LEU 34 -3.463 3.408 -2.486 233 HD21 LEU 34 3HD2 LEU 34 -0.367 3.335 -4.179 234 HD22 LEU 34 1HD2 LEU 34 -1.034 4.454 -5.368 235 HD23 LEU 34 2HD2 LEU 34 -1.945 3.017 -4.902 236 H HIS 35 H HIS 35 -2.257 6.288 -1.004 237 HA HIS 35 HA HIS 35 -4.140 4.795 0.438 238 HB2 HIS 35 1HB HIS 35 -1.661 6.297 1.109 239 HB3 HIS 35 2HB HIS 35 -2.733 5.874 2.440 240 HD1 HIS 35 HD1 HIS 35 -3.500 3.122 2.151 241 HD2 HIS 35 HD2 HIS 35 0.214 4.394 0.794 242 HE1 HIS 35 HE1 HIS 35 -2.083 1.048 2.027 243 H SER 36 H SER 36 -3.729 8.237 0.028 244 HA SER 36 HA SER 36 -5.946 8.714 1.908 245 HB2 SER 36 1HB SER 36 -4.091 10.849 0.869 246 HB3 SER 36 2HB SER 36 -5.101 10.878 2.314 247 HG SER 36 HG SER 36 -3.640 8.935 2.860 248 H ARG 37 H ARG 37 -6.782 7.751 -0.436 249 HA ARG 37 HA ARG 37 -7.552 10.068 -2.071 250 HB2 ARG 37 1HB ARG 37 -7.856 8.629 -3.885 251 HB3 ARG 37 2HB ARG 37 -6.445 7.964 -3.074 252 HG2 ARG 37 1HG ARG 37 -7.732 6.208 -2.107 253 HG3 ARG 37 2HG ARG 37 -9.242 6.945 -2.650 254 HD2 ARG 37 1HD ARG 37 -7.188 6.287 -4.695 255 HD3 ARG 37 2HD ARG 37 -8.092 4.957 -3.973 256 HE ARG 37 HE ARG 37 -10.040 6.676 -4.683 257 HH11 ARG 37 1HH1 ARG 37 -7.326 5.340 -6.406 258 HH12 ARG 37 2HH1 ARG 37 -8.116 5.385 -7.947 259 HH21 ARG 37 1HH2 ARG 37 -11.091 6.739 -6.706 260 HH22 ARG 37 2HH2 ARG 37 -10.257 6.182 -8.117 261 H GLU 38 H GLU 38 -8.864 7.243 -0.391 262 HA GLU 38 HA GLU 38 -11.463 8.609 -0.291 263 HB2 GLU 38 1HB GLU 38 -10.950 5.733 -1.037 264 HB3 GLU 38 2HB GLU 38 -12.522 6.305 -0.496 265 HG2 GLU 38 1HG GLU 38 -12.911 7.483 -2.411 266 HG3 GLU 38 2HG GLU 38 -11.198 7.735 -2.737 267 H LYS 39 H LYS 39 -9.638 8.763 1.734 268 HA LYS 39 HA LYS 39 -9.603 6.828 3.692 269 HB2 LYS 39 1HB LYS 39 -9.713 9.832 4.002 270 HB3 LYS 39 2HB LYS 39 -9.336 8.721 5.313 271 HG2 LYS 39 1HG LYS 39 -7.750 8.797 2.765 272 HG3 LYS 39 2HG LYS 39 -7.380 9.827 4.150 273 HD2 LYS 39 1HD LYS 39 -7.404 7.607 5.491 274 HD3 LYS 39 2HD LYS 39 -7.216 6.846 3.909 275 HE2 LYS 39 1HE LYS 39 -5.129 7.801 3.559 276 HE3 LYS 39 2HE LYS 39 -5.411 9.085 4.734 277 HZ1 LYS 39 3HZ LYS 39 -3.873 7.533 5.654 278 HZ2 LYS 39 1HZ LYS 39 -4.887 6.222 5.314 279 HZ3 LYS 39 2HZ LYS 39 -5.335 7.357 6.486 280 H SER 40 H SER 40 -10.889 6.287 5.439 281 HA SER 40 HA SER 40 -13.707 6.659 5.061 282 HB2 SER 40 1HB SER 40 -12.626 4.541 5.918 283 HB3 SER 40 2HB SER 40 -12.334 5.388 7.437 284 HG SER 40 HG SER 40 -14.326 4.105 7.290 285 H SER 41 H SER 41 -15.007 7.063 7.222 286 HA SER 41 HA SER 41 -14.240 9.740 8.077 287 HB2 SER 41 1HB SER 41 -16.494 10.022 8.778 288 HB3 SER 41 2HB SER 41 -16.579 9.129 7.260 289 HG SER 41 HG SER 41 -17.815 8.394 9.273 290 H GLY 42 H GLY 42 -13.278 10.130 9.955 291 HA2 GLY 42 1HA GLY 42 -12.788 9.972 12.213 292 HA3 GLY 42 2HA GLY 42 -13.946 8.655 12.336 293 HA PRO 43 HA PRO 43 -9.671 6.818 10.919 294 HB2 PRO 43 1HB PRO 43 -7.525 8.389 11.466 295 HB3 PRO 43 2HB PRO 43 -8.382 8.437 9.921 296 HG2 PRO 43 1HG PRO 43 -8.622 10.267 12.277 297 HG3 PRO 43 2HG PRO 43 -8.558 10.668 10.551 298 HD2 PRO 43 1HD PRO 43 -10.878 10.598 11.945 299 HD3 PRO 43 2HD PRO 43 -10.785 10.172 10.224 300 H SER 44 H SER 44 -8.526 5.473 12.252 301 HA SER 44 HA SER 44 -7.683 6.210 14.877 302 HB2 SER 44 1HB SER 44 -10.011 5.987 15.448 303 HB3 SER 44 2HB SER 44 -10.127 4.450 14.591 304 HG SER 44 HG SER 44 -9.396 3.483 16.300 305 H SER 45 H SER 45 -6.311 4.695 15.794 306 HA SER 45 HA SER 45 -4.706 3.162 14.297 307 HB2 SER 45 1HB SER 45 -5.651 2.575 17.108 308 HB3 SER 45 2HB SER 45 -4.314 1.722 16.337 309 HG SER 45 HG SER 45 -4.496 4.444 17.061 310 H GLY 46 H GLY 46 -4.943 1.502 12.962 311 HA2 GLY 46 1HA GLY 46 -7.405 -0.007 12.923 312 HA3 GLY 46 2HA GLY 46 -6.064 -0.165 11.799 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -1.009 -10.430 8.865 2 HA2 GLY 1 1HA GLY 1 0.003 -9.846 11.559 3 HA3 GLY 1 2HA GLY 1 -0.302 -11.446 10.899 4 H SER 2 H SER 2 1.069 -11.406 8.544 5 HA SER 2 HA SER 2 3.848 -11.026 9.446 6 HB2 SER 2 1HB SER 2 2.586 -13.144 7.716 7 HB3 SER 2 2HB SER 2 4.323 -12.842 7.678 8 HG SER 2 HG SER 2 2.735 -13.712 9.850 9 H SER 3 H SER 3 2.495 -8.892 8.302 10 HA SER 3 HA SER 3 2.411 -8.391 5.684 11 HB2 SER 3 1HB SER 3 3.910 -6.576 7.586 12 HB3 SER 3 2HB SER 3 3.081 -6.102 6.104 13 HG SER 3 HG SER 3 1.308 -5.980 7.206 14 H GLY 4 H GLY 4 5.442 -8.496 7.542 15 HA2 GLY 4 1HA GLY 4 6.869 -9.398 5.192 16 HA3 GLY 4 2HA GLY 4 7.320 -7.789 5.736 17 H SER 5 H SER 5 9.153 -9.866 5.634 18 HA SER 5 HA SER 5 9.600 -10.423 8.495 19 HB2 SER 5 1HB SER 5 9.159 -12.425 6.960 20 HB3 SER 5 2HB SER 5 10.731 -12.079 6.240 21 HG SER 5 HG SER 5 11.254 -12.073 8.736 22 H SER 6 H SER 6 10.399 -8.017 7.348 23 HA SER 6 HA SER 6 12.200 -6.671 6.925 24 HB2 SER 6 1HB SER 6 12.458 -7.411 9.353 25 HB3 SER 6 2HB SER 6 13.682 -8.541 8.775 26 HG SER 6 HG SER 6 14.245 -6.228 9.497 27 H GLY 7 H GLY 7 11.896 -8.586 4.934 28 HA2 GLY 7 1HA GLY 7 14.565 -8.634 3.862 29 HA3 GLY 7 2HA GLY 7 13.960 -10.236 4.259 30 H SER 8 H SER 8 12.316 -7.396 2.891 31 HA SER 8 HA SER 8 11.733 -9.004 0.493 32 HB2 SER 8 1HB SER 8 9.504 -7.838 0.421 33 HB3 SER 8 2HB SER 8 9.701 -8.942 1.782 34 HG SER 8 HG SER 8 10.289 -6.191 2.017 35 H GLY 9 H GLY 9 13.897 -7.266 0.662 36 HA2 GLY 9 1HA GLY 9 14.499 -5.933 -1.330 37 HA3 GLY 9 2HA GLY 9 13.000 -5.050 -1.077 38 H GLU 10 H GLU 10 16.267 -4.922 -0.670 39 HA GLU 10 HA GLU 10 16.279 -3.451 1.828 40 HB2 GLU 10 1HB GLU 10 18.469 -4.066 -0.161 41 HB3 GLU 10 2HB GLU 10 18.718 -3.185 1.340 42 HG2 GLU 10 1HG GLU 10 19.317 -5.276 2.001 43 HG3 GLU 10 2HG GLU 10 17.600 -5.312 2.396 44 H ARG 11 H ARG 11 14.589 -2.118 0.293 45 HA ARG 11 HA ARG 11 15.829 -0.113 -1.333 46 HB2 ARG 11 1HB ARG 11 13.041 -0.423 -0.223 47 HB3 ARG 11 2HB ARG 11 13.525 0.947 -1.214 48 HG2 ARG 11 1HG ARG 11 13.917 -1.857 -2.181 49 HG3 ARG 11 2HG ARG 11 12.356 -1.048 -2.336 50 HD2 ARG 11 1HD ARG 11 13.296 -0.473 -4.337 51 HD3 ARG 11 2HD ARG 11 13.842 0.879 -3.347 52 HE ARG 11 HE ARG 11 15.993 0.141 -3.589 53 HH11 ARG 11 1HH1 ARG 11 13.805 -2.412 -4.493 54 HH12 ARG 11 2HH1 ARG 11 15.056 -3.446 -5.099 55 HH21 ARG 11 1HH2 ARG 11 17.649 -1.212 -4.384 56 HH22 ARG 11 2HH2 ARG 11 17.242 -2.763 -5.036 57 HA PRO 12 HA PRO 12 16.876 2.920 1.662 58 HB2 PRO 12 1HB PRO 12 16.360 5.214 0.305 59 HB3 PRO 12 2HB PRO 12 17.733 4.165 -0.069 60 HG2 PRO 12 1HG PRO 12 15.070 4.354 -1.424 61 HG3 PRO 12 2HG PRO 12 16.685 4.215 -2.144 62 HD2 PRO 12 1HD PRO 12 15.013 2.099 -1.896 63 HD3 PRO 12 2HD PRO 12 16.779 1.938 -1.802 64 H PHE 13 H PHE 13 13.780 3.511 0.015 65 HA PHE 13 HA PHE 13 12.761 4.763 2.469 66 HB2 PHE 13 1HB PHE 13 11.824 4.883 -0.397 67 HB3 PHE 13 2HB PHE 13 10.862 5.494 0.944 68 HD1 PHE 13 HD1 PHE 13 14.434 5.729 -0.124 69 HD2 PHE 13 HD2 PHE 13 10.926 7.768 1.161 70 HE1 PHE 13 HE1 PHE 13 15.639 7.871 -0.245 71 HE2 PHE 13 HE2 PHE 13 12.124 9.913 1.042 72 HZ PHE 13 HZ PHE 13 14.484 9.967 0.338 73 H LYS 14 H LYS 14 10.454 4.299 2.996 74 HA LYS 14 HA LYS 14 9.375 1.779 2.090 75 HB2 LYS 14 1HB LYS 14 11.128 1.342 3.958 76 HB3 LYS 14 2HB LYS 14 9.905 1.998 5.038 77 HG2 LYS 14 1HG LYS 14 9.091 -0.152 3.162 78 HG3 LYS 14 2HG LYS 14 10.097 -0.587 4.545 79 HD2 LYS 14 1HD LYS 14 8.378 0.777 5.919 80 HD3 LYS 14 2HD LYS 14 7.338 0.582 4.506 81 HE2 LYS 14 1HE LYS 14 6.836 -1.188 6.024 82 HE3 LYS 14 2HE LYS 14 7.721 -1.883 4.668 83 HZ1 LYS 14 3HZ LYS 14 8.594 -2.790 6.670 84 HZ2 LYS 14 1HZ LYS 14 8.786 -1.260 7.366 85 HZ3 LYS 14 2HZ LYS 14 9.754 -1.722 6.059 86 H CYS 15 H CYS 15 7.195 1.577 2.489 87 HA CYS 15 HA CYS 15 5.864 4.000 3.375 88 HB2 CYS 15 1HB CYS 15 5.106 2.919 1.312 89 HB3 CYS 15 2HB CYS 15 4.748 1.443 2.204 90 H ASN 16 H ASN 16 5.119 4.284 5.364 91 HA ASN 16 HA ASN 16 5.170 2.127 7.271 92 HB2 ASN 16 1HB ASN 16 5.857 4.469 7.826 93 HB3 ASN 16 2HB ASN 16 4.173 4.958 7.654 94 HD21 ASN 16 1HD2 ASN 16 6.527 3.726 9.723 95 HD22 ASN 16 2HD2 ASN 16 5.505 3.339 11.061 96 H GLU 17 H GLU 17 2.903 3.321 5.088 97 HA GLU 17 HA GLU 17 0.526 2.897 6.611 98 HB2 GLU 17 1HB GLU 17 0.726 2.854 3.604 99 HB3 GLU 17 2HB GLU 17 -0.662 3.292 4.591 100 HG2 GLU 17 1HG GLU 17 1.880 4.870 4.692 101 HG3 GLU 17 2HG GLU 17 0.662 5.161 3.452 102 H CYS 18 H CYS 18 1.942 1.082 3.883 103 HA CYS 18 HA CYS 18 0.615 -1.331 4.933 104 HB2 CYS 18 1HB CYS 18 0.559 -2.176 2.631 105 HB3 CYS 18 2HB CYS 18 -0.291 -0.639 2.761 106 H GLY 19 H GLY 19 3.511 -0.084 3.319 107 HA2 GLY 19 1HA GLY 19 5.598 -0.960 4.474 108 HA3 GLY 19 2HA GLY 19 4.928 -2.546 4.121 109 H LYS 20 H LYS 20 4.232 -0.320 1.688 110 HA LYS 20 HA LYS 20 5.914 -1.687 -0.182 111 HB2 LYS 20 1HB LYS 20 3.570 -0.487 -0.484 112 HB3 LYS 20 2HB LYS 20 4.585 0.897 -0.868 113 HG2 LYS 20 1HG LYS 20 4.282 -1.689 -2.329 114 HG3 LYS 20 2HG LYS 20 4.188 -0.035 -2.940 115 HD2 LYS 20 1HD LYS 20 6.609 0.217 -2.565 116 HD3 LYS 20 2HD LYS 20 6.684 -1.456 -2.009 117 HE2 LYS 20 1HE LYS 20 5.475 -0.914 -4.670 118 HE3 LYS 20 2HE LYS 20 7.226 -0.783 -4.514 119 HZ1 LYS 20 3HZ LYS 20 6.724 -3.109 -3.270 120 HZ2 LYS 20 1HZ LYS 20 7.177 -2.973 -4.894 121 HZ3 LYS 20 2HZ LYS 20 5.544 -3.129 -4.482 122 H GLY 21 H GLY 21 7.967 -1.253 -0.630 123 HA2 GLY 21 1HA GLY 21 8.991 1.440 0.025 124 HA3 GLY 21 2HA GLY 21 9.949 -0.029 0.137 125 H PHE 22 H PHE 22 10.392 2.473 -1.382 126 HA PHE 22 HA PHE 22 10.708 1.240 -4.035 127 HB2 PHE 22 1HB PHE 22 10.082 4.159 -3.558 128 HB3 PHE 22 2HB PHE 22 10.221 3.348 -5.114 129 HD1 PHE 22 HD2 PHE 22 8.314 2.938 -1.928 130 HD2 PHE 22 HD1 PHE 22 8.258 2.868 -6.184 131 HE1 PHE 22 HE2 PHE 22 5.902 2.455 -1.885 132 HE2 PHE 22 HE1 PHE 22 5.846 2.386 -6.147 133 HZ PHE 22 HZ PHE 22 4.665 2.178 -3.996 134 H GLY 23 H GLY 23 12.339 2.610 -5.376 135 HA2 GLY 23 1HA GLY 23 14.765 2.726 -3.790 136 HA3 GLY 23 2HA GLY 23 14.652 2.851 -5.540 137 H ARG 24 H ARG 24 12.807 4.963 -5.716 138 HA ARG 24 HA ARG 24 14.522 7.175 -4.843 139 HB2 ARG 24 1HB ARG 24 12.617 6.780 -7.109 140 HB3 ARG 24 2HB ARG 24 12.898 8.413 -6.521 141 HG2 ARG 24 1HG ARG 24 14.376 8.039 -8.339 142 HG3 ARG 24 2HG ARG 24 15.343 8.029 -6.863 143 HD2 ARG 24 1HD ARG 24 16.188 6.154 -7.819 144 HD3 ARG 24 2HD ARG 24 14.799 5.424 -7.015 145 HE ARG 24 HE ARG 24 13.792 6.078 -9.418 146 HH11 ARG 24 1HH1 ARG 24 16.685 4.389 -8.470 147 HH12 ARG 24 2HH1 ARG 24 16.729 3.399 -9.891 148 HH21 ARG 24 1HH2 ARG 24 13.840 4.781 -11.294 149 HH22 ARG 24 2HH2 ARG 24 15.111 3.624 -11.497 150 H ARG 25 H ARG 25 13.576 9.107 -3.987 151 HA ARG 25 HA ARG 25 11.672 8.641 -1.971 152 HB2 ARG 25 1HB ARG 25 13.055 10.406 -1.451 153 HB3 ARG 25 2HB ARG 25 13.029 11.048 -3.088 154 HG2 ARG 25 1HG ARG 25 11.871 12.435 -1.343 155 HG3 ARG 25 2HG ARG 25 10.911 12.040 -2.769 156 HD2 ARG 25 1HD ARG 25 9.525 10.635 -1.617 157 HD3 ARG 25 2HD ARG 25 10.764 10.204 -0.439 158 HE ARG 25 HE ARG 25 8.803 12.182 -0.120 159 HH11 ARG 25 1HH1 ARG 25 12.215 11.701 0.379 160 HH12 ARG 25 2HH1 ARG 25 12.313 12.819 1.698 161 HH21 ARG 25 1HH2 ARG 25 8.919 13.658 1.615 162 HH22 ARG 25 2HH2 ARG 25 10.437 13.931 2.401 163 H SER 26 H SER 26 11.313 10.961 -4.653 164 HA SER 26 HA SER 26 8.615 11.389 -4.465 165 HB2 SER 26 1HB SER 26 8.723 12.363 -6.572 166 HB3 SER 26 2HB SER 26 10.419 12.389 -6.089 167 HG SER 26 HG SER 26 10.734 11.319 -7.864 168 H HIS 27 H HIS 27 10.257 8.606 -5.756 169 HA HIS 27 HA HIS 27 8.159 7.483 -7.248 170 HB2 HIS 27 1HB HIS 27 10.623 6.399 -5.942 171 HB3 HIS 27 2HB HIS 27 9.426 5.275 -6.577 172 HD1 HIS 27 HD1 HIS 27 11.507 4.645 -8.200 173 HD2 HIS 27 HD2 HIS 27 9.705 8.337 -8.815 174 HE1 HIS 27 HE1 HIS 27 12.221 5.367 -10.501 175 H LEU 28 H LEU 28 8.949 7.336 -3.823 176 HA LEU 28 HA LEU 28 6.826 5.442 -3.274 177 HB2 LEU 28 1HB LEU 28 8.614 5.078 -1.868 178 HB3 LEU 28 2HB LEU 28 8.945 6.798 -1.674 179 HG LEU 28 HG LEU 28 6.790 6.887 -0.308 180 HD11 LEU 28 1HD1 LEU 28 7.137 4.047 0.361 181 HD12 LEU 28 2HD1 LEU 28 6.401 4.368 -1.208 182 HD13 LEU 28 3HD1 LEU 28 5.671 5.023 0.257 183 HD21 LEU 28 3HD2 LEU 28 9.325 6.675 0.435 184 HD22 LEU 28 1HD2 LEU 28 8.747 5.136 1.077 185 HD23 LEU 28 2HD2 LEU 28 8.004 6.646 1.604 186 H ALA 29 H ALA 29 7.513 8.867 -2.696 187 HA ALA 29 HA ALA 29 5.483 9.662 -1.090 188 HB1 ALA 29 3HB ALA 29 5.757 11.403 -3.431 189 HB2 ALA 29 1HB ALA 29 6.014 11.747 -1.720 190 HB3 ALA 29 2HB ALA 29 7.281 10.961 -2.662 191 H GLY 30 H GLY 30 5.227 8.965 -4.556 192 HA2 GLY 30 1HA GLY 30 2.499 9.730 -4.792 193 HA3 GLY 30 2HA GLY 30 3.396 8.735 -5.929 194 H HIS 31 H HIS 31 4.084 6.768 -3.835 195 HA HIS 31 HA HIS 31 1.912 5.010 -4.205 196 HB2 HIS 31 1HB HIS 31 4.104 4.094 -3.887 197 HB3 HIS 31 2HB HIS 31 4.282 4.906 -2.334 198 HD1 HIS 31 HD1 HIS 31 2.482 2.024 -3.954 199 HD2 HIS 31 HD2 HIS 31 3.229 3.557 -0.165 200 HE1 HIS 31 HE1 HIS 31 1.704 0.253 -2.347 201 H LEU 32 H LEU 32 2.510 7.450 -1.876 202 HA LEU 32 HA LEU 32 0.625 6.339 0.049 203 HB2 LEU 32 1HB LEU 32 2.153 8.937 0.116 204 HB3 LEU 32 2HB LEU 32 1.218 8.245 1.440 205 HG LEU 32 HG LEU 32 3.293 7.619 2.111 206 HD11 LEU 32 1HD1 LEU 32 3.816 5.305 1.337 207 HD12 LEU 32 2HD1 LEU 32 2.536 5.475 0.136 208 HD13 LEU 32 3HD1 LEU 32 2.146 5.542 1.855 209 HD21 LEU 32 3HD2 LEU 32 5.031 8.179 0.853 210 HD22 LEU 32 1HD2 LEU 32 3.987 8.316 -0.563 211 HD23 LEU 32 2HD2 LEU 32 4.736 6.769 -0.167 212 H ARG 33 H ARG 33 0.735 8.608 -2.538 213 HA ARG 33 HA ARG 33 -1.322 10.359 -1.847 214 HB2 ARG 33 1HB ARG 33 -0.401 9.339 -4.533 215 HB3 ARG 33 2HB ARG 33 -1.626 10.588 -4.355 216 HG2 ARG 33 1HG ARG 33 -0.040 12.034 -3.240 217 HG3 ARG 33 2HG ARG 33 1.190 10.769 -3.304 218 HD2 ARG 33 1HD ARG 33 0.918 10.820 -5.820 219 HD3 ARG 33 2HD ARG 33 -0.035 12.287 -5.596 220 HE ARG 33 HE ARG 33 2.533 12.402 -4.323 221 HH11 ARG 33 1HH1 ARG 33 0.817 12.855 -7.319 222 HH12 ARG 33 2HH1 ARG 33 1.976 13.970 -7.965 223 HH21 ARG 33 1HH2 ARG 33 4.065 13.868 -5.163 224 HH22 ARG 33 2HH2 ARG 33 3.823 14.544 -6.738 225 H LEU 34 H LEU 34 -1.422 7.086 -3.062 226 HA LEU 34 HA LEU 34 -4.236 7.144 -3.664 227 HB2 LEU 34 1HB LEU 34 -3.965 4.707 -3.978 228 HB3 LEU 34 2HB LEU 34 -2.839 5.672 -4.931 229 HG LEU 34 HG LEU 34 -1.194 5.194 -2.964 230 HD11 LEU 34 1HD1 LEU 34 -2.198 4.039 -1.321 231 HD12 LEU 34 2HD1 LEU 34 -1.892 2.649 -2.362 232 HD13 LEU 34 3HD1 LEU 34 -3.471 3.433 -2.381 233 HD21 LEU 34 3HD2 LEU 34 -1.870 2.870 -4.741 234 HD22 LEU 34 1HD2 LEU 34 -0.287 3.415 -4.185 235 HD23 LEU 34 2HD2 LEU 34 -1.175 4.360 -5.381 236 H HIS 35 H HIS 35 -2.295 6.582 -0.886 237 HA HIS 35 HA HIS 35 -4.146 4.959 0.558 238 HB2 HIS 35 1HB HIS 35 -1.627 6.415 1.182 239 HB3 HIS 35 2HB HIS 35 -2.684 6.014 2.533 240 HD1 HIS 35 HD1 HIS 35 -3.469 3.293 2.365 241 HD2 HIS 35 HD2 HIS 35 0.169 4.461 0.734 242 HE1 HIS 35 HE1 HIS 35 -2.102 1.189 2.193 243 H SER 36 H SER 36 -3.861 8.333 -0.068 244 HA SER 36 HA SER 36 -5.494 9.138 2.181 245 HB2 SER 36 1HB SER 36 -5.363 11.403 1.091 246 HB3 SER 36 2HB SER 36 -3.796 10.691 1.477 247 HG SER 36 HG SER 36 -3.460 10.257 -0.642 248 H ARG 37 H ARG 37 -5.835 9.097 -1.363 249 HA ARG 37 HA ARG 37 -8.250 10.101 -1.847 250 HB2 ARG 37 1HB ARG 37 -8.345 8.837 -3.757 251 HB3 ARG 37 2HB ARG 37 -6.660 8.587 -3.321 252 HG2 ARG 37 1HG ARG 37 -7.480 6.497 -2.096 253 HG3 ARG 37 2HG ARG 37 -8.973 6.711 -3.013 254 HD2 ARG 37 1HD ARG 37 -7.813 6.502 -5.088 255 HD3 ARG 37 2HD ARG 37 -6.246 6.560 -4.281 256 HE ARG 37 HE ARG 37 -6.424 4.320 -3.911 257 HH11 ARG 37 1HH1 ARG 37 -9.609 5.603 -4.481 258 HH12 ARG 37 2HH1 ARG 37 -10.381 4.052 -4.457 259 HH21 ARG 37 1HH2 ARG 37 -7.428 2.272 -3.876 260 HH22 ARG 37 2HH2 ARG 37 -9.139 2.158 -4.111 261 H GLU 38 H GLU 38 -10.319 9.825 -1.276 262 HA GLU 38 HA GLU 38 -12.218 8.918 -0.393 263 HB2 GLU 38 1HB GLU 38 -11.202 6.811 -1.626 264 HB3 GLU 38 2HB GLU 38 -10.927 6.258 0.020 265 HG2 GLU 38 1HG GLU 38 -13.428 6.854 0.364 266 HG3 GLU 38 2HG GLU 38 -13.502 6.772 -1.395 267 H LYS 39 H LYS 39 -10.271 10.197 1.220 268 HA LYS 39 HA LYS 39 -9.984 8.700 3.667 269 HB2 LYS 39 1HB LYS 39 -8.494 10.642 2.623 270 HB3 LYS 39 2HB LYS 39 -9.569 11.651 3.582 271 HG2 LYS 39 1HG LYS 39 -8.938 9.917 5.470 272 HG3 LYS 39 2HG LYS 39 -7.509 9.701 4.455 273 HD2 LYS 39 1HD LYS 39 -8.430 12.451 5.198 274 HD3 LYS 39 2HD LYS 39 -7.486 11.492 6.340 275 HE2 LYS 39 1HE LYS 39 -5.659 11.340 4.824 276 HE3 LYS 39 2HE LYS 39 -6.618 12.007 3.503 277 HZ1 LYS 39 3HZ LYS 39 -6.620 13.817 5.656 278 HZ2 LYS 39 1HZ LYS 39 -6.001 14.032 4.097 279 HZ3 LYS 39 2HZ LYS 39 -5.021 13.386 5.314 280 H SER 40 H SER 40 -10.807 9.476 5.738 281 HA SER 40 HA SER 40 -13.566 9.739 5.793 282 HB2 SER 40 1HB SER 40 -11.804 9.160 7.677 283 HB3 SER 40 2HB SER 40 -11.960 10.878 8.045 284 HG SER 40 HG SER 40 -13.653 8.857 8.603 285 H SER 41 H SER 41 -14.818 11.357 5.171 286 HA SER 41 HA SER 41 -14.052 13.847 4.337 287 HB2 SER 41 1HB SER 41 -16.351 12.701 4.151 288 HB3 SER 41 2HB SER 41 -16.697 13.429 5.720 289 HG SER 41 HG SER 41 -17.274 15.067 4.523 290 H GLY 42 H GLY 42 -13.382 15.674 5.265 291 HA2 GLY 42 1HA GLY 42 -14.271 16.638 7.765 292 HA3 GLY 42 2HA GLY 42 -12.721 15.837 7.975 293 HA PRO 43 HA PRO 43 -12.365 20.317 6.339 294 HB2 PRO 43 1HB PRO 43 -11.811 21.592 8.670 295 HB3 PRO 43 2HB PRO 43 -13.453 21.412 8.041 296 HG2 PRO 43 1HG PRO 43 -12.045 19.814 10.145 297 HG3 PRO 43 2HG PRO 43 -13.709 20.425 10.131 298 HD2 PRO 43 1HD PRO 43 -13.096 17.856 9.534 299 HD3 PRO 43 2HD PRO 43 -14.461 18.710 8.787 300 H SER 44 H SER 44 -10.475 19.245 5.460 301 HA SER 44 HA SER 44 -8.087 19.418 7.169 302 HB2 SER 44 1HB SER 44 -8.834 17.246 5.870 303 HB3 SER 44 2HB SER 44 -8.059 18.052 4.505 304 HG SER 44 HG SER 44 -6.943 16.991 6.820 305 H SER 45 H SER 45 -7.014 21.258 6.929 306 HA SER 45 HA SER 45 -7.248 22.886 4.584 307 HB2 SER 45 1HB SER 45 -5.801 24.439 5.730 308 HB3 SER 45 2HB SER 45 -6.946 23.792 6.904 309 HG SER 45 HG SER 45 -5.208 23.331 7.993 310 H GLY 46 H GLY 46 -5.752 23.282 2.990 311 HA2 GLY 46 1HA GLY 46 -3.136 22.817 2.741 312 HA3 GLY 46 2HA GLY 46 -3.772 21.185 2.600 Start of MODEL 16 1 H1 GLY 1 H GLY 1 0.073 -8.108 1.649 2 HA2 GLY 1 1HA GLY 1 1.320 -9.964 2.520 3 HA3 GLY 1 2HA GLY 1 1.648 -8.614 3.596 4 H SER 2 H SER 2 -1.137 -10.802 3.213 5 HA SER 2 HA SER 2 -1.458 -10.995 6.060 6 HB2 SER 2 1HB SER 2 -3.451 -11.033 4.720 7 HB3 SER 2 2HB SER 2 -2.843 -12.377 3.753 8 HG SER 2 HG SER 2 -4.023 -12.380 6.248 9 H SER 3 H SER 3 -0.051 -12.152 7.207 10 HA SER 3 HA SER 3 1.211 -13.888 7.959 11 HB2 SER 3 1HB SER 3 -1.002 -15.083 7.595 12 HB3 SER 3 2HB SER 3 -0.345 -15.647 6.058 13 HG SER 3 HG SER 3 1.273 -16.027 8.270 14 H GLY 4 H GLY 4 2.321 -12.354 5.929 15 HA2 GLY 4 1HA GLY 4 4.014 -14.371 4.612 16 HA3 GLY 4 2HA GLY 4 3.342 -13.048 3.671 17 H SER 5 H SER 5 6.102 -14.039 4.957 18 HA SER 5 HA SER 5 6.977 -11.592 6.224 19 HB2 SER 5 1HB SER 5 7.807 -13.827 6.950 20 HB3 SER 5 2HB SER 5 8.615 -14.000 5.392 21 HG SER 5 HG SER 5 9.730 -11.998 5.952 22 H SER 6 H SER 6 6.053 -11.102 3.652 23 HA SER 6 HA SER 6 7.866 -11.129 1.575 24 HB2 SER 6 1HB SER 6 5.644 -9.259 2.323 25 HB3 SER 6 2HB SER 6 6.678 -8.876 0.946 26 HG SER 6 HG SER 6 5.511 -10.231 -0.136 27 H GLY 7 H GLY 7 8.911 -9.068 0.633 28 HA2 GLY 7 1HA GLY 7 9.931 -7.145 2.498 29 HA3 GLY 7 2HA GLY 7 11.125 -8.368 2.090 30 H SER 8 H SER 8 10.345 -5.345 1.409 31 HA SER 8 HA SER 8 10.156 -5.154 -1.371 32 HB2 SER 8 1HB SER 8 11.502 -3.214 0.524 33 HB3 SER 8 2HB SER 8 10.929 -2.847 -1.103 34 HG SER 8 HG SER 8 8.858 -3.841 0.033 35 H GLY 9 H GLY 9 13.063 -4.908 0.685 36 HA2 GLY 9 1HA GLY 9 14.936 -6.369 -0.253 37 HA3 GLY 9 2HA GLY 9 14.689 -5.432 -1.719 38 H GLU 10 H GLU 10 15.114 -4.774 1.764 39 HA GLU 10 HA GLU 10 16.220 -3.062 2.816 40 HB2 GLU 10 1HB GLU 10 18.261 -4.089 0.845 41 HB3 GLU 10 2HB GLU 10 18.651 -2.942 2.119 42 HG2 GLU 10 1HG GLU 10 18.175 -4.510 3.814 43 HG3 GLU 10 2HG GLU 10 17.399 -5.612 2.677 44 H ARG 11 H ARG 11 14.518 -2.052 0.861 45 HA ARG 11 HA ARG 11 15.780 -0.257 -0.923 46 HB2 ARG 11 1HB ARG 11 13.004 -0.495 0.193 47 HB3 ARG 11 2HB ARG 11 13.452 0.898 -0.783 48 HG2 ARG 11 1HG ARG 11 13.786 -1.942 -1.710 49 HG3 ARG 11 2HG ARG 11 12.340 -0.978 -2.016 50 HD2 ARG 11 1HD ARG 11 13.429 0.442 -3.462 51 HD3 ARG 11 2HD ARG 11 15.006 0.143 -2.733 52 HE ARG 11 HE ARG 11 13.880 -2.147 -4.061 53 HH11 ARG 11 1HH1 ARG 11 15.791 0.739 -4.435 54 HH12 ARG 11 2HH1 ARG 11 16.617 0.166 -5.846 55 HH21 ARG 11 1HH2 ARG 11 14.960 -2.912 -5.918 56 HH22 ARG 11 2HH2 ARG 11 16.143 -1.911 -6.690 57 HA PRO 12 HA PRO 12 16.903 3.166 1.581 58 HB2 PRO 12 1HB PRO 12 16.315 5.263 -0.040 59 HB3 PRO 12 2HB PRO 12 17.678 4.176 -0.332 60 HG2 PRO 12 1HG PRO 12 14.959 4.184 -1.585 61 HG3 PRO 12 2HG PRO 12 16.542 3.954 -2.349 62 HD2 PRO 12 1HD PRO 12 14.896 1.887 -1.756 63 HD3 PRO 12 2HD PRO 12 16.665 1.741 -1.718 64 H PHE 13 H PHE 13 13.668 3.170 0.209 65 HA PHE 13 HA PHE 13 12.747 4.718 2.540 66 HB2 PHE 13 1HB PHE 13 11.828 4.896 -0.329 67 HB3 PHE 13 2HB PHE 13 10.887 5.538 1.013 68 HD1 PHE 13 HD1 PHE 13 14.267 5.733 -0.528 69 HD2 PHE 13 HD2 PHE 13 11.247 7.704 1.732 70 HE1 PHE 13 HE1 PHE 13 15.560 7.824 -0.630 71 HE2 PHE 13 HE2 PHE 13 12.534 9.798 1.633 72 HZ PHE 13 HZ PHE 13 14.693 9.860 0.450 73 H LYS 14 H LYS 14 10.419 4.344 3.049 74 HA LYS 14 HA LYS 14 9.263 1.859 2.127 75 HB2 LYS 14 1HB LYS 14 10.659 0.897 3.781 76 HB3 LYS 14 2HB LYS 14 10.331 2.193 4.923 77 HG2 LYS 14 1HG LYS 14 8.036 0.551 4.013 78 HG3 LYS 14 2HG LYS 14 9.195 -0.188 5.121 79 HD2 LYS 14 1HD LYS 14 8.894 1.992 6.493 80 HD3 LYS 14 2HD LYS 14 7.419 2.187 5.544 81 HE2 LYS 14 1HE LYS 14 6.600 1.029 7.341 82 HE3 LYS 14 2HE LYS 14 7.013 -0.307 6.267 83 HZ1 LYS 14 3HZ LYS 14 9.205 -0.377 7.460 84 HZ2 LYS 14 1HZ LYS 14 7.865 -0.851 8.378 85 HZ3 LYS 14 2HZ LYS 14 8.544 0.682 8.602 86 H CYS 15 H CYS 15 7.068 1.657 2.620 87 HA CYS 15 HA CYS 15 5.780 4.161 3.328 88 HB2 CYS 15 1HB CYS 15 4.941 2.991 1.379 89 HB3 CYS 15 2HB CYS 15 4.667 1.534 2.328 90 H ASN 16 H ASN 16 5.058 4.612 5.294 91 HA ASN 16 HA ASN 16 5.068 2.576 7.348 92 HB2 ASN 16 1HB ASN 16 4.852 5.545 7.274 93 HB3 ASN 16 2HB ASN 16 4.155 4.717 8.663 94 HD21 ASN 16 1HD2 ASN 16 6.908 6.062 7.401 95 HD22 ASN 16 2HD2 ASN 16 8.072 5.349 8.459 96 H GLU 17 H GLU 17 3.047 2.589 5.124 97 HA GLU 17 HA GLU 17 0.607 2.717 6.771 98 HB2 GLU 17 1HB GLU 17 0.628 2.707 3.763 99 HB3 GLU 17 2HB GLU 17 -0.656 3.222 4.848 100 HG2 GLU 17 1HG GLU 17 1.975 4.652 4.701 101 HG3 GLU 17 2HG GLU 17 0.634 5.030 3.622 102 H CYS 18 H CYS 18 1.910 0.960 3.950 103 HA CYS 18 HA CYS 18 0.526 -1.448 4.927 104 HB2 CYS 18 1HB CYS 18 0.637 -2.263 2.600 105 HB3 CYS 18 2HB CYS 18 -0.236 -0.739 2.722 106 H GLY 19 H GLY 19 3.541 -0.298 3.448 107 HA2 GLY 19 1HA GLY 19 5.557 -1.186 4.691 108 HA3 GLY 19 2HA GLY 19 4.847 -2.768 4.404 109 H LYS 20 H LYS 20 4.589 -0.323 1.965 110 HA LYS 20 HA LYS 20 5.994 -1.964 0.082 111 HB2 LYS 20 1HB LYS 20 3.995 -0.518 -0.447 112 HB3 LYS 20 2HB LYS 20 5.052 0.880 -0.300 113 HG2 LYS 20 1HG LYS 20 4.735 0.225 -2.627 114 HG3 LYS 20 2HG LYS 20 6.422 0.065 -2.132 115 HD2 LYS 20 1HD LYS 20 6.225 -2.303 -1.949 116 HD3 LYS 20 2HD LYS 20 4.471 -2.231 -2.133 117 HE2 LYS 20 1HE LYS 20 4.635 -1.645 -4.411 118 HE3 LYS 20 2HE LYS 20 6.351 -1.264 -4.270 119 HZ1 LYS 20 3HZ LYS 20 6.832 -3.587 -3.943 120 HZ2 LYS 20 1HZ LYS 20 5.944 -3.399 -5.371 121 HZ3 LYS 20 2HZ LYS 20 5.187 -3.980 -3.976 122 H GLY 21 H GLY 21 7.730 -1.057 -1.331 123 HA2 GLY 21 1HA GLY 21 9.475 0.851 0.067 124 HA3 GLY 21 2HA GLY 21 10.114 -0.731 -0.357 125 H PHE 22 H PHE 22 10.740 2.104 -1.227 126 HA PHE 22 HA PHE 22 10.802 1.505 -4.097 127 HB2 PHE 22 1HB PHE 22 10.057 4.200 -2.939 128 HB3 PHE 22 2HB PHE 22 10.253 3.832 -4.649 129 HD1 PHE 22 HD2 PHE 22 8.266 2.870 -1.659 130 HD2 PHE 22 HD1 PHE 22 8.436 3.137 -5.904 131 HE1 PHE 22 HE2 PHE 22 5.892 2.238 -1.791 132 HE2 PHE 22 HE1 PHE 22 6.062 2.506 -6.042 133 HZ PHE 22 HZ PHE 22 4.787 2.055 -3.984 134 H GLY 23 H GLY 23 12.400 2.893 -5.266 135 HA2 GLY 23 1HA GLY 23 14.824 3.070 -3.652 136 HA3 GLY 23 2HA GLY 23 14.735 3.117 -5.407 137 H ARG 24 H ARG 24 12.712 5.164 -5.537 138 HA ARG 24 HA ARG 24 14.388 7.466 -4.811 139 HB2 ARG 24 1HB ARG 24 12.219 7.196 -6.900 140 HB3 ARG 24 2HB ARG 24 13.088 8.684 -6.547 141 HG2 ARG 24 1HG ARG 24 14.271 7.932 -8.344 142 HG3 ARG 24 2HG ARG 24 15.193 7.194 -7.033 143 HD2 ARG 24 1HD ARG 24 13.438 5.240 -7.411 144 HD3 ARG 24 2HD ARG 24 13.376 5.947 -9.025 145 HE ARG 24 HE ARG 24 15.574 4.497 -7.838 146 HH11 ARG 24 1HH1 ARG 24 14.565 6.702 -10.336 147 HH12 ARG 24 2HH1 ARG 24 15.903 6.343 -11.375 148 HH21 ARG 24 1HH2 ARG 24 17.341 4.015 -9.198 149 HH22 ARG 24 2HH2 ARG 24 17.481 4.814 -10.727 150 H ARG 25 H ARG 25 13.495 9.282 -3.816 151 HA ARG 25 HA ARG 25 11.533 8.807 -1.874 152 HB2 ARG 25 1HB ARG 25 13.365 10.601 -1.910 153 HB3 ARG 25 2HB ARG 25 12.254 11.547 -2.892 154 HG2 ARG 25 1HG ARG 25 11.856 10.604 -0.066 155 HG3 ARG 25 2HG ARG 25 12.025 12.264 -0.640 156 HD2 ARG 25 1HD ARG 25 9.924 11.687 -2.070 157 HD3 ARG 25 2HD ARG 25 9.707 10.394 -0.890 158 HE ARG 25 HE ARG 25 9.162 11.967 0.707 159 HH11 ARG 25 1HH1 ARG 25 10.356 13.534 -2.163 160 HH12 ARG 25 2HH1 ARG 25 9.865 15.118 -1.661 161 HH21 ARG 25 1HH2 ARG 25 8.511 14.047 1.380 162 HH22 ARG 25 2HH2 ARG 25 8.816 15.409 0.355 163 H SER 26 H SER 26 11.340 10.755 -4.853 164 HA SER 26 HA SER 26 8.633 11.434 -4.623 165 HB2 SER 26 1HB SER 26 10.024 12.636 -6.171 166 HB3 SER 26 2HB SER 26 10.404 11.161 -7.059 167 HG SER 26 HG SER 26 7.952 12.562 -6.940 168 H HIS 27 H HIS 27 10.198 8.544 -5.769 169 HA HIS 27 HA HIS 27 8.060 7.433 -7.227 170 HB2 HIS 27 1HB HIS 27 10.515 6.337 -5.916 171 HB3 HIS 27 2HB HIS 27 9.280 5.216 -6.483 172 HD1 HIS 27 HD1 HIS 27 10.845 4.291 -8.316 173 HD2 HIS 27 HD2 HIS 27 10.061 8.357 -8.649 174 HE1 HIS 27 HE1 HIS 27 11.652 4.946 -10.606 175 H LEU 28 H LEU 28 8.988 7.149 -3.818 176 HA LEU 28 HA LEU 28 6.814 5.388 -3.183 177 HB2 LEU 28 1HB LEU 28 8.624 5.094 -1.779 178 HB3 LEU 28 2HB LEU 28 8.920 6.825 -1.631 179 HG LEU 28 HG LEU 28 6.767 6.911 -0.269 180 HD11 LEU 28 1HD1 LEU 28 7.118 4.130 0.543 181 HD12 LEU 28 2HD1 LEU 28 6.494 4.317 -1.095 182 HD13 LEU 28 3HD1 LEU 28 5.643 5.055 0.262 183 HD21 LEU 28 3HD2 LEU 28 8.699 5.230 1.207 184 HD22 LEU 28 1HD2 LEU 28 8.005 6.797 1.621 185 HD23 LEU 28 2HD2 LEU 28 9.333 6.699 0.464 186 H ALA 29 H ALA 29 7.512 8.826 -2.647 187 HA ALA 29 HA ALA 29 5.456 9.655 -1.101 188 HB1 ALA 29 3HB ALA 29 6.407 11.586 -1.641 189 HB2 ALA 29 1HB ALA 29 7.146 10.871 -3.074 190 HB3 ALA 29 2HB ALA 29 5.522 11.554 -3.166 191 H GLY 30 H GLY 30 5.255 8.836 -4.536 192 HA2 GLY 30 1HA GLY 30 2.546 9.643 -4.863 193 HA3 GLY 30 2HA GLY 30 3.450 8.590 -5.941 194 H HIS 31 H HIS 31 4.072 6.639 -3.876 195 HA HIS 31 HA HIS 31 1.857 4.939 -4.179 196 HB2 HIS 31 1HB HIS 31 4.026 3.979 -3.836 197 HB3 HIS 31 2HB HIS 31 4.221 4.822 -2.302 198 HD1 HIS 31 HD1 HIS 31 2.356 1.948 -3.860 199 HD2 HIS 31 HD2 HIS 31 3.133 3.547 -0.105 200 HE1 HIS 31 HE1 HIS 31 1.533 0.233 -2.215 201 H LEU 32 H LEU 32 2.478 7.441 -1.937 202 HA LEU 32 HA LEU 32 0.592 6.412 0.033 203 HB2 LEU 32 1HB LEU 32 2.190 8.968 -0.018 204 HB3 LEU 32 2HB LEU 32 1.186 8.417 1.322 205 HG LEU 32 HG LEU 32 3.207 7.745 2.101 206 HD11 LEU 32 1HD1 LEU 32 1.981 5.708 1.959 207 HD12 LEU 32 2HD1 LEU 32 3.645 5.360 1.494 208 HD13 LEU 32 3HD1 LEU 32 2.397 5.506 0.257 209 HD21 LEU 32 3HD2 LEU 32 4.568 6.700 -0.215 210 HD22 LEU 32 1HD2 LEU 32 5.067 7.966 0.907 211 HD23 LEU 32 2HD2 LEU 32 4.056 8.367 -0.481 212 H ARG 33 H ARG 33 0.711 8.586 -2.633 213 HA ARG 33 HA ARG 33 -1.323 10.382 -2.010 214 HB2 ARG 33 1HB ARG 33 -0.290 9.263 -4.596 215 HB3 ARG 33 2HB ARG 33 -1.680 10.339 -4.588 216 HG2 ARG 33 1HG ARG 33 -0.352 12.070 -3.507 217 HG3 ARG 33 2HG ARG 33 1.043 10.989 -3.479 218 HD2 ARG 33 1HD ARG 33 1.435 12.293 -5.357 219 HD3 ARG 33 2HD ARG 33 0.692 10.843 -6.031 220 HE ARG 33 HE ARG 33 -0.448 13.506 -5.928 221 HH11 ARG 33 1HH1 ARG 33 -0.986 10.106 -6.453 222 HH12 ARG 33 2HH1 ARG 33 -2.445 10.343 -7.356 223 HH21 ARG 33 1HH2 ARG 33 -2.368 13.831 -7.116 224 HH22 ARG 33 2HH2 ARG 33 -3.230 12.462 -7.734 225 H LEU 34 H LEU 34 -1.474 7.042 -2.970 226 HA LEU 34 HA LEU 34 -4.306 7.119 -3.551 227 HB2 LEU 34 1HB LEU 34 -4.069 4.676 -3.810 228 HB3 LEU 34 2HB LEU 34 -2.952 5.598 -4.813 229 HG LEU 34 HG LEU 34 -1.265 5.149 -2.881 230 HD11 LEU 34 1HD1 LEU 34 -2.380 4.135 -1.178 231 HD12 LEU 34 2HD1 LEU 34 -1.885 2.702 -2.079 232 HD13 LEU 34 3HD1 LEU 34 -3.524 3.330 -2.253 233 HD21 LEU 34 3HD2 LEU 34 -1.775 3.979 -5.323 234 HD22 LEU 34 1HD2 LEU 34 -1.681 2.603 -4.223 235 HD23 LEU 34 2HD2 LEU 34 -0.334 3.736 -4.334 236 H HIS 35 H HIS 35 -2.294 6.646 -0.814 237 HA HIS 35 HA HIS 35 -4.132 5.087 0.729 238 HB2 HIS 35 1HB HIS 35 -1.553 6.486 1.237 239 HB3 HIS 35 2HB HIS 35 -2.571 6.126 2.628 240 HD1 HIS 35 HD1 HIS 35 -3.422 3.424 2.528 241 HD2 HIS 35 HD2 HIS 35 0.178 4.484 0.746 242 HE1 HIS 35 HE1 HIS 35 -2.112 1.286 2.335 243 H SER 36 H SER 36 -3.768 8.433 0.008 244 HA SER 36 HA SER 36 -5.283 9.349 2.295 245 HB2 SER 36 1HB SER 36 -3.959 10.652 -0.048 246 HB3 SER 36 2HB SER 36 -5.220 11.538 0.810 247 HG SER 36 HG SER 36 -3.286 10.314 2.378 248 H ARG 37 H ARG 37 -5.781 9.204 -1.227 249 HA ARG 37 HA ARG 37 -8.243 10.261 -1.538 250 HB2 ARG 37 1HB ARG 37 -8.402 9.110 -3.518 251 HB3 ARG 37 2HB ARG 37 -6.688 8.905 -3.184 252 HG2 ARG 37 1HG ARG 37 -7.358 6.710 -2.055 253 HG3 ARG 37 2HG ARG 37 -8.906 6.917 -2.878 254 HD2 ARG 37 1HD ARG 37 -7.494 7.227 -5.004 255 HD3 ARG 37 2HD ARG 37 -6.178 6.527 -4.063 256 HE ARG 37 HE ARG 37 -8.145 4.729 -3.723 257 HH11 ARG 37 1HH1 ARG 37 -6.841 6.265 -6.562 258 HH12 ARG 37 2HH1 ARG 37 -7.180 4.923 -7.603 259 HH21 ARG 37 1HH2 ARG 37 -8.596 2.955 -5.084 260 HH22 ARG 37 2HH2 ARG 37 -8.179 3.040 -6.761 261 H GLU 38 H GLU 38 -7.533 7.081 -0.179 262 HA GLU 38 HA GLU 38 -10.359 6.879 0.631 263 HB2 GLU 38 1HB GLU 38 -9.348 5.162 -1.056 264 HB3 GLU 38 2HB GLU 38 -8.584 4.478 0.372 265 HG2 GLU 38 1HG GLU 38 -10.912 4.389 1.384 266 HG3 GLU 38 2HG GLU 38 -11.509 4.712 -0.242 267 H LYS 39 H LYS 39 -9.143 8.303 2.360 268 HA LYS 39 HA LYS 39 -8.171 6.498 4.478 269 HB2 LYS 39 1HB LYS 39 -6.806 8.227 5.325 270 HB3 LYS 39 2HB LYS 39 -6.572 8.265 3.582 271 HG2 LYS 39 1HG LYS 39 -7.558 10.288 3.353 272 HG3 LYS 39 2HG LYS 39 -8.691 10.011 4.678 273 HD2 LYS 39 1HD LYS 39 -6.467 10.110 6.113 274 HD3 LYS 39 2HD LYS 39 -5.909 11.064 4.736 275 HE2 LYS 39 1HE LYS 39 -8.540 11.668 6.027 276 HE3 LYS 39 2HE LYS 39 -7.042 12.252 6.751 277 HZ1 LYS 39 3HZ LYS 39 -8.427 13.541 4.840 278 HZ2 LYS 39 1HZ LYS 39 -7.256 12.742 3.917 279 HZ3 LYS 39 2HZ LYS 39 -6.785 13.784 5.163 280 H SER 40 H SER 40 -10.427 8.991 3.602 281 HA SER 40 HA SER 40 -11.333 9.990 5.963 282 HB2 SER 40 1HB SER 40 -12.262 10.595 3.754 283 HB3 SER 40 2HB SER 40 -13.094 9.042 3.688 284 HG SER 40 HG SER 40 -14.083 11.191 4.648 285 H SER 41 H SER 41 -12.619 7.019 4.460 286 HA SER 41 HA SER 41 -14.155 6.275 6.717 287 HB2 SER 41 1HB SER 41 -13.126 4.500 4.491 288 HB3 SER 41 2HB SER 41 -14.469 4.144 5.577 289 HG SER 41 HG SER 41 -14.320 5.993 3.468 290 H GLY 42 H GLY 42 -10.927 5.362 5.590 291 HA2 GLY 42 1HA GLY 42 -9.360 3.939 6.560 292 HA3 GLY 42 2HA GLY 42 -9.611 5.055 7.894 293 HA PRO 43 HA PRO 43 -12.416 1.196 8.750 294 HB2 PRO 43 1HB PRO 43 -11.946 -0.985 7.202 295 HB3 PRO 43 2HB PRO 43 -13.137 0.252 6.783 296 HG2 PRO 43 1HG PRO 43 -10.341 -0.103 5.776 297 HG3 PRO 43 2HG PRO 43 -11.812 0.302 4.873 298 HD2 PRO 43 1HD PRO 43 -9.987 2.167 5.595 299 HD3 PRO 43 2HD PRO 43 -11.722 2.524 5.476 300 H SER 44 H SER 44 -11.932 -0.433 10.216 301 HA SER 44 HA SER 44 -10.568 -1.363 11.810 302 HB2 SER 44 1HB SER 44 -9.340 -2.432 9.259 303 HB3 SER 44 2HB SER 44 -9.035 -3.089 10.866 304 HG SER 44 HG SER 44 -10.890 -4.074 10.793 305 H SER 45 H SER 45 -9.810 1.268 11.300 306 HA SER 45 HA SER 45 -7.331 1.982 10.587 307 HB2 SER 45 1HB SER 45 -8.558 2.773 13.240 308 HB3 SER 45 2HB SER 45 -7.337 3.675 12.343 309 HG SER 45 HG SER 45 -9.987 3.770 12.088 310 H GLY 46 H GLY 46 -5.550 0.760 10.761 311 HA2 GLY 46 1HA GLY 46 -4.739 -0.056 13.480 312 HA3 GLY 46 2HA GLY 46 -4.572 -1.150 12.115 Start of MODEL 17 1 H1 GLY 1 H GLY 1 7.472 -18.665 -11.882 2 HA2 GLY 1 1HA GLY 1 7.812 -16.850 -13.416 3 HA3 GLY 1 2HA GLY 1 6.749 -15.863 -12.423 4 H SER 2 H SER 2 9.973 -17.066 -12.864 5 HA SER 2 HA SER 2 11.967 -16.581 -11.864 6 HB2 SER 2 1HB SER 2 10.479 -13.972 -11.826 7 HB3 SER 2 2HB SER 2 12.095 -14.083 -11.130 8 HG SER 2 HG SER 2 12.754 -14.961 -13.203 9 H SER 3 H SER 3 10.248 -17.937 -10.164 10 HA SER 3 HA SER 3 9.982 -16.683 -7.628 11 HB2 SER 3 1HB SER 3 9.894 -19.578 -8.488 12 HB3 SER 3 2HB SER 3 9.620 -19.064 -6.823 13 HG SER 3 HG SER 3 7.645 -19.200 -7.858 14 H GLY 4 H GLY 4 10.993 -17.880 -5.640 15 HA2 GLY 4 1HA GLY 4 13.421 -19.145 -5.630 16 HA3 GLY 4 2HA GLY 4 13.823 -17.445 -5.818 17 H SER 5 H SER 5 13.756 -16.113 -4.077 18 HA SER 5 HA SER 5 13.424 -17.393 -1.491 19 HB2 SER 5 1HB SER 5 14.537 -15.495 -0.569 20 HB3 SER 5 2HB SER 5 15.373 -15.871 -2.075 21 HG SER 5 HG SER 5 13.358 -13.895 -1.761 22 H SER 6 H SER 6 12.480 -15.774 0.251 23 HA SER 6 HA SER 6 9.956 -14.669 -0.785 24 HB2 SER 6 1HB SER 6 10.344 -16.454 1.623 25 HB3 SER 6 2HB SER 6 8.880 -15.510 1.346 26 HG SER 6 HG SER 6 8.601 -16.645 -0.608 27 H GLY 7 H GLY 7 9.500 -12.665 -0.115 28 HA2 GLY 7 1HA GLY 7 9.821 -10.617 0.883 29 HA3 GLY 7 2HA GLY 7 9.866 -11.551 2.371 30 H SER 8 H SER 8 12.035 -10.980 -0.405 31 HA SER 8 HA SER 8 14.149 -10.281 1.518 32 HB2 SER 8 1HB SER 8 14.541 -12.580 0.741 33 HB3 SER 8 2HB SER 8 14.491 -12.027 -0.933 34 HG SER 8 HG SER 8 16.442 -11.561 1.039 35 H GLY 9 H GLY 9 14.397 -8.156 1.183 36 HA2 GLY 9 1HA GLY 9 15.620 -7.170 -1.139 37 HA3 GLY 9 2HA GLY 9 13.903 -6.812 -1.240 38 H GLU 10 H GLU 10 16.652 -5.365 -0.596 39 HA GLU 10 HA GLU 10 15.619 -3.825 1.691 40 HB2 GLU 10 1HB GLU 10 18.449 -4.145 0.678 41 HB3 GLU 10 2HB GLU 10 17.977 -3.060 1.979 42 HG2 GLU 10 1HG GLU 10 18.713 -4.882 3.151 43 HG3 GLU 10 2HG GLU 10 16.985 -5.211 3.049 44 H ARG 11 H ARG 11 14.756 -1.932 1.194 45 HA ARG 11 HA ARG 11 15.722 -0.527 -1.208 46 HB2 ARG 11 1HB ARG 11 13.009 -0.836 -0.007 47 HB3 ARG 11 2HB ARG 11 13.381 0.665 -0.843 48 HG2 ARG 11 1HG ARG 11 12.420 -0.639 -2.494 49 HG3 ARG 11 2HG ARG 11 14.149 -0.852 -2.775 50 HD2 ARG 11 1HD ARG 11 14.036 -2.943 -1.418 51 HD3 ARG 11 2HD ARG 11 12.285 -2.748 -1.357 52 HE ARG 11 HE ARG 11 13.415 -2.768 -4.015 53 HH11 ARG 11 1HH1 ARG 11 12.043 -4.653 -1.430 54 HH12 ARG 11 2HH1 ARG 11 11.565 -5.960 -2.462 55 HH21 ARG 11 1HH2 ARG 11 12.790 -4.482 -5.384 56 HH22 ARG 11 2HH2 ARG 11 11.991 -5.862 -4.711 57 HA PRO 12 HA PRO 12 16.978 2.935 1.175 58 HB2 PRO 12 1HB PRO 12 16.236 5.023 -0.394 59 HB3 PRO 12 2HB PRO 12 17.582 3.951 -0.795 60 HG2 PRO 12 1HG PRO 12 14.771 3.927 -1.823 61 HG3 PRO 12 2HG PRO 12 16.289 3.714 -2.713 62 HD2 PRO 12 1HD PRO 12 14.721 1.629 -1.987 63 HD3 PRO 12 2HD PRO 12 16.488 1.503 -2.093 64 H PHE 13 H PHE 13 13.677 3.202 -0.107 65 HA PHE 13 HA PHE 13 12.915 4.611 2.367 66 HB2 PHE 13 1HB PHE 13 11.780 4.853 -0.423 67 HB3 PHE 13 2HB PHE 13 11.002 5.532 1.002 68 HD1 PHE 13 HD1 PHE 13 14.276 5.551 -0.776 69 HD2 PHE 13 HD2 PHE 13 11.480 7.701 1.606 70 HE1 PHE 13 HE1 PHE 13 15.649 7.580 -1.002 71 HE2 PHE 13 HE2 PHE 13 12.848 9.734 1.384 72 HZ PHE 13 HZ PHE 13 14.935 9.676 0.077 73 H LYS 14 H LYS 14 10.573 4.289 2.954 74 HA LYS 14 HA LYS 14 9.373 1.802 2.084 75 HB2 LYS 14 1HB LYS 14 10.855 0.911 3.740 76 HB3 LYS 14 2HB LYS 14 10.433 2.177 4.885 77 HG2 LYS 14 1HG LYS 14 9.278 0.319 5.659 78 HG3 LYS 14 2HG LYS 14 8.056 1.225 4.764 79 HD2 LYS 14 1HD LYS 14 7.946 -0.319 3.083 80 HD3 LYS 14 2HD LYS 14 9.626 -0.820 3.287 81 HE2 LYS 14 1HE LYS 14 8.811 -1.773 5.551 82 HE3 LYS 14 2HE LYS 14 7.202 -1.644 4.842 83 HZ1 LYS 14 3HZ LYS 14 7.773 -3.747 4.220 84 HZ2 LYS 14 1HZ LYS 14 9.426 -3.402 4.100 85 HZ3 LYS 14 2HZ LYS 14 8.366 -2.898 2.882 86 H CYS 15 H CYS 15 7.194 1.571 2.739 87 HA CYS 15 HA CYS 15 5.967 4.109 3.534 88 HB2 CYS 15 1HB CYS 15 5.048 3.309 1.502 89 HB3 CYS 15 2HB CYS 15 4.912 1.666 2.119 90 H ASN 16 H ASN 16 4.722 4.334 5.327 91 HA ASN 16 HA ASN 16 4.860 2.184 7.285 92 HB2 ASN 16 1HB ASN 16 4.324 5.121 7.390 93 HB3 ASN 16 2HB ASN 16 3.699 4.109 8.689 94 HD21 ASN 16 1HD2 ASN 16 4.973 4.132 10.379 95 HD22 ASN 16 2HD2 ASN 16 6.700 4.163 10.359 96 H GLU 17 H GLU 17 2.594 3.665 5.159 97 HA GLU 17 HA GLU 17 0.185 3.131 6.482 98 HB2 GLU 17 1HB GLU 17 0.600 3.020 3.494 99 HB3 GLU 17 2HB GLU 17 -0.887 3.395 4.354 100 HG2 GLU 17 1HG GLU 17 1.579 5.094 4.561 101 HG3 GLU 17 2HG GLU 17 0.345 5.341 3.326 102 H CYS 18 H CYS 18 1.762 1.212 3.919 103 HA CYS 18 HA CYS 18 0.356 -1.156 4.968 104 HB2 CYS 18 1HB CYS 18 0.405 -2.084 2.716 105 HB3 CYS 18 2HB CYS 18 -0.374 -0.505 2.699 106 H GLY 19 H GLY 19 3.350 -0.021 3.433 107 HA2 GLY 19 1HA GLY 19 5.381 -0.801 4.725 108 HA3 GLY 19 2HA GLY 19 4.706 -2.410 4.518 109 H LYS 20 H LYS 20 4.365 -0.136 1.941 110 HA LYS 20 HA LYS 20 5.954 -1.819 0.214 111 HB2 LYS 20 1HB LYS 20 3.843 -0.897 -0.599 112 HB3 LYS 20 2HB LYS 20 4.440 0.738 -0.346 113 HG2 LYS 20 1HG LYS 20 4.566 0.199 -2.679 114 HG3 LYS 20 2HG LYS 20 6.202 0.316 -2.024 115 HD2 LYS 20 1HD LYS 20 6.194 -1.603 -3.400 116 HD3 LYS 20 2HD LYS 20 6.120 -2.202 -1.741 117 HE2 LYS 20 1HE LYS 20 3.548 -2.153 -2.124 118 HE3 LYS 20 2HE LYS 20 3.981 -2.134 -3.833 119 HZ1 LYS 20 3HZ LYS 20 3.809 -4.338 -2.181 120 HZ2 LYS 20 1HZ LYS 20 5.463 -4.116 -2.456 121 HZ3 LYS 20 2HZ LYS 20 4.405 -4.294 -3.763 122 H GLY 21 H GLY 21 7.881 -1.318 -0.758 123 HA2 GLY 21 1HA GLY 21 9.194 1.154 0.195 124 HA3 GLY 21 2HA GLY 21 10.040 -0.375 0.008 125 H PHE 22 H PHE 22 10.596 2.240 -1.199 126 HA PHE 22 HA PHE 22 10.603 1.361 -3.999 127 HB2 PHE 22 1HB PHE 22 9.952 4.165 -3.065 128 HB3 PHE 22 2HB PHE 22 10.147 3.667 -4.743 129 HD1 PHE 22 HD2 PHE 22 8.109 3.028 -1.705 130 HD2 PHE 22 HD1 PHE 22 8.327 2.886 -5.953 131 HE1 PHE 22 HE2 PHE 22 5.719 2.454 -1.805 132 HE2 PHE 22 HE1 PHE 22 5.937 2.313 -6.060 133 HZ PHE 22 HZ PHE 22 4.629 2.094 -3.985 134 H GLY 23 H GLY 23 12.177 2.736 -5.317 135 HA2 GLY 23 1HA GLY 23 14.690 2.785 -3.859 136 HA3 GLY 23 2HA GLY 23 14.487 2.943 -5.597 137 H ARG 24 H ARG 24 12.760 5.068 -5.784 138 HA ARG 24 HA ARG 24 14.485 7.250 -4.871 139 HB2 ARG 24 1HB ARG 24 12.383 7.073 -7.027 140 HB3 ARG 24 2HB ARG 24 13.113 8.595 -6.535 141 HG2 ARG 24 1HG ARG 24 15.252 7.920 -7.286 142 HG3 ARG 24 2HG ARG 24 14.726 6.248 -7.490 143 HD2 ARG 24 1HD ARG 24 13.434 6.768 -9.377 144 HD3 ARG 24 2HD ARG 24 13.457 8.495 -9.021 145 HE ARG 24 HE ARG 24 15.382 7.042 -10.522 146 HH11 ARG 24 1HH1 ARG 24 15.025 9.698 -8.301 147 HH12 ARG 24 2HH1 ARG 24 16.430 10.535 -8.872 148 HH21 ARG 24 1HH2 ARG 24 17.234 8.134 -11.283 149 HH22 ARG 24 2HH2 ARG 24 17.686 9.645 -10.569 150 H ARG 25 H ARG 25 13.509 9.236 -4.084 151 HA ARG 25 HA ARG 25 11.649 8.765 -2.013 152 HB2 ARG 25 1HB ARG 25 13.467 10.608 -2.249 153 HB3 ARG 25 2HB ARG 25 12.216 11.504 -3.101 154 HG2 ARG 25 1HG ARG 25 12.057 10.471 -0.277 155 HG3 ARG 25 2HG ARG 25 12.296 12.149 -0.770 156 HD2 ARG 25 1HD ARG 25 10.084 11.880 -2.043 157 HD3 ARG 25 2HD ARG 25 9.853 10.430 -1.066 158 HE ARG 25 HE ARG 25 10.341 12.228 0.825 159 HH11 ARG 25 1HH1 ARG 25 8.292 12.416 -1.983 160 HH12 ARG 25 2HH1 ARG 25 7.165 13.508 -1.249 161 HH21 ARG 25 1HH2 ARG 25 8.865 13.665 1.803 162 HH22 ARG 25 2HH2 ARG 25 7.492 14.219 0.904 163 H SER 26 H SER 26 11.299 10.899 -4.854 164 HA SER 26 HA SER 26 8.605 11.433 -4.607 165 HB2 SER 26 1HB SER 26 8.638 11.856 -7.072 166 HB3 SER 26 2HB SER 26 9.969 12.628 -6.210 167 HG SER 26 HG SER 26 11.328 11.447 -7.291 168 H HIS 27 H HIS 27 10.174 8.565 -5.811 169 HA HIS 27 HA HIS 27 8.023 7.407 -7.194 170 HB2 HIS 27 1HB HIS 27 10.514 6.367 -5.915 171 HB3 HIS 27 2HB HIS 27 9.278 5.212 -6.408 172 HD1 HIS 27 HD1 HIS 27 11.571 4.650 -7.958 173 HD2 HIS 27 HD2 HIS 27 9.179 7.883 -8.997 174 HE1 HIS 27 HE1 HIS 27 12.107 5.135 -10.366 175 H LEU 28 H LEU 28 8.968 7.249 -3.789 176 HA LEU 28 HA LEU 28 6.829 5.456 -3.096 177 HB2 LEU 28 1HB LEU 28 8.680 5.225 -1.719 178 HB3 LEU 28 2HB LEU 28 8.916 6.966 -1.580 179 HG LEU 28 HG LEU 28 6.794 7.004 -0.192 180 HD11 LEU 28 1HD1 LEU 28 7.026 4.324 0.754 181 HD12 LEU 28 2HD1 LEU 28 6.726 4.298 -0.984 182 HD13 LEU 28 3HD1 LEU 28 5.616 5.150 0.089 183 HD21 LEU 28 3HD2 LEU 28 8.712 5.316 1.279 184 HD22 LEU 28 1HD2 LEU 28 8.057 6.905 1.673 185 HD23 LEU 28 2HD2 LEU 28 9.379 6.759 0.515 186 H ALA 29 H ALA 29 7.525 8.893 -2.484 187 HA ALA 29 HA ALA 29 5.456 9.722 -0.990 188 HB1 ALA 29 3HB ALA 29 5.706 11.461 -3.309 189 HB2 ALA 29 1HB ALA 29 6.072 11.773 -1.612 190 HB3 ALA 29 2HB ALA 29 7.265 10.978 -2.639 191 H GLY 30 H GLY 30 5.260 8.971 -4.450 192 HA2 GLY 30 1HA GLY 30 2.543 9.731 -4.759 193 HA3 GLY 30 2HA GLY 30 3.455 8.695 -5.846 194 H HIS 31 H HIS 31 4.100 6.701 -3.869 195 HA HIS 31 HA HIS 31 1.911 4.990 -4.166 196 HB2 HIS 31 1HB HIS 31 4.086 4.056 -3.805 197 HB3 HIS 31 2HB HIS 31 4.258 4.897 -2.267 198 HD1 HIS 31 HD1 HIS 31 2.310 2.068 -3.843 199 HD2 HIS 31 HD2 HIS 31 3.302 3.538 -0.086 200 HE1 HIS 31 HE1 HIS 31 1.530 0.321 -2.210 201 H LEU 32 H LEU 32 2.515 7.456 -1.860 202 HA LEU 32 HA LEU 32 0.589 6.399 0.053 203 HB2 LEU 32 1HB LEU 32 2.209 8.941 0.078 204 HB3 LEU 32 2HB LEU 32 1.170 8.383 1.388 205 HG LEU 32 HG LEU 32 3.169 7.679 2.197 206 HD11 LEU 32 1HD1 LEU 32 1.830 5.673 1.911 207 HD12 LEU 32 2HD1 LEU 32 3.542 5.309 1.699 208 HD13 LEU 32 3HD1 LEU 32 2.489 5.444 0.291 209 HD21 LEU 32 3HD2 LEU 32 5.104 7.662 1.051 210 HD22 LEU 32 1HD2 LEU 32 4.150 8.456 -0.202 211 HD23 LEU 32 2HD2 LEU 32 4.432 6.716 -0.278 212 H ARG 33 H ARG 33 0.815 8.743 -2.493 213 HA ARG 33 HA ARG 33 -1.286 10.453 -1.847 214 HB2 ARG 33 1HB ARG 33 -0.224 9.527 -4.514 215 HB3 ARG 33 2HB ARG 33 -1.478 10.750 -4.365 216 HG2 ARG 33 1HG ARG 33 0.046 12.154 -3.066 217 HG3 ARG 33 2HG ARG 33 1.305 10.928 -3.231 218 HD2 ARG 33 1HD ARG 33 0.792 11.212 -5.792 219 HD3 ARG 33 2HD ARG 33 0.168 12.777 -5.274 220 HE ARG 33 HE ARG 33 2.910 11.992 -5.450 221 HH11 ARG 33 1HH1 ARG 33 0.668 14.042 -3.750 222 HH12 ARG 33 2HH1 ARG 33 1.871 15.205 -3.300 223 HH21 ARG 33 1HH2 ARG 33 4.503 13.516 -4.864 224 HH22 ARG 33 2HH2 ARG 33 4.052 14.905 -3.935 225 H LEU 34 H LEU 34 -1.311 7.223 -3.182 226 HA LEU 34 HA LEU 34 -4.094 7.288 -3.909 227 HB2 LEU 34 1HB LEU 34 -3.826 4.953 -4.433 228 HB3 LEU 34 2HB LEU 34 -2.470 5.871 -5.085 229 HG LEU 34 HG LEU 34 -1.258 5.111 -2.908 230 HD11 LEU 34 1HD1 LEU 34 -2.590 3.929 -1.555 231 HD12 LEU 34 2HD1 LEU 34 -2.295 2.600 -2.677 232 HD13 LEU 34 3HD1 LEU 34 -3.751 3.584 -2.837 233 HD21 LEU 34 3HD2 LEU 34 -1.857 3.251 -5.205 234 HD22 LEU 34 1HD2 LEU 34 -0.538 3.043 -4.053 235 HD23 LEU 34 2HD2 LEU 34 -0.562 4.446 -5.121 236 H HIS 35 H HIS 35 -2.232 6.462 -1.100 237 HA HIS 35 HA HIS 35 -4.100 4.819 0.219 238 HB2 HIS 35 1HB HIS 35 -1.717 6.406 1.021 239 HB3 HIS 35 2HB HIS 35 -2.829 5.927 2.300 240 HD1 HIS 35 HD1 HIS 35 -3.487 3.148 1.919 241 HD2 HIS 35 HD2 HIS 35 0.248 4.583 0.799 242 HE1 HIS 35 HE1 HIS 35 -1.986 1.131 1.844 243 H SER 36 H SER 36 -3.690 8.315 0.092 244 HA SER 36 HA SER 36 -5.777 8.790 2.034 245 HB2 SER 36 1HB SER 36 -4.413 10.779 0.206 246 HB3 SER 36 2HB SER 36 -5.342 11.143 1.660 247 HG SER 36 HG SER 36 -3.105 9.445 1.806 248 H ARG 37 H ARG 37 -6.648 7.236 -0.147 249 HA ARG 37 HA ARG 37 -8.285 9.067 -1.746 250 HB2 ARG 37 1HB ARG 37 -6.895 7.097 -2.714 251 HB3 ARG 37 2HB ARG 37 -8.201 6.088 -2.108 252 HG2 ARG 37 1HG ARG 37 -9.800 7.333 -3.470 253 HG3 ARG 37 2HG ARG 37 -8.491 8.349 -4.076 254 HD2 ARG 37 1HD ARG 37 -7.428 6.048 -4.738 255 HD3 ARG 37 2HD ARG 37 -9.095 5.483 -4.645 256 HE ARG 37 HE ARG 37 -9.582 6.676 -6.551 257 HH11 ARG 37 1HH1 ARG 37 -6.440 7.586 -5.360 258 HH12 ARG 37 2HH1 ARG 37 -6.020 8.488 -6.778 259 HH21 ARG 37 1HH2 ARG 37 -9.041 7.861 -8.423 260 HH22 ARG 37 2HH2 ARG 37 -7.500 8.645 -8.520 261 H GLU 38 H GLU 38 -8.575 6.246 0.385 262 HA GLU 38 HA GLU 38 -11.440 6.866 0.683 263 HB2 GLU 38 1HB GLU 38 -10.029 4.219 1.062 264 HB3 GLU 38 2HB GLU 38 -11.743 4.504 1.329 265 HG2 GLU 38 1HG GLU 38 -11.680 3.542 -0.772 266 HG3 GLU 38 2HG GLU 38 -11.792 5.266 -1.120 267 H LYS 39 H LYS 39 -9.670 8.340 2.158 268 HA LYS 39 HA LYS 39 -8.911 7.344 4.643 269 HB2 LYS 39 1HB LYS 39 -9.579 10.074 3.614 270 HB3 LYS 39 2HB LYS 39 -9.322 9.847 5.339 271 HG2 LYS 39 1HG LYS 39 -7.322 8.942 3.294 272 HG3 LYS 39 2HG LYS 39 -7.326 10.578 3.957 273 HD2 LYS 39 1HD LYS 39 -7.258 8.121 5.694 274 HD3 LYS 39 2HD LYS 39 -5.794 8.899 5.088 275 HE2 LYS 39 1HE LYS 39 -6.742 11.048 6.105 276 HE3 LYS 39 2HE LYS 39 -7.866 9.997 6.965 277 HZ1 LYS 39 3HZ LYS 39 -6.106 8.950 8.093 278 HZ2 LYS 39 1HZ LYS 39 -5.764 10.605 8.176 279 HZ3 LYS 39 2HZ LYS 39 -4.930 9.622 7.080 280 H SER 40 H SER 40 -9.908 8.249 6.762 281 HA SER 40 HA SER 40 -12.274 6.942 7.286 282 HB2 SER 40 1HB SER 40 -10.742 7.718 9.045 283 HB3 SER 40 2HB SER 40 -11.195 9.389 8.708 284 HG SER 40 HG SER 40 -12.593 8.952 10.249 285 H SER 41 H SER 41 -14.413 7.425 7.234 286 HA SER 41 HA SER 41 -15.393 9.252 5.388 287 HB2 SER 41 1HB SER 41 -16.860 8.103 7.775 288 HB3 SER 41 2HB SER 41 -17.607 8.799 6.337 289 HG SER 41 HG SER 41 -16.499 7.122 5.137 290 H GLY 42 H GLY 42 -15.123 9.551 8.914 291 HA2 GLY 42 1HA GLY 42 -15.171 12.460 8.611 292 HA3 GLY 42 2HA GLY 42 -16.396 11.740 9.645 293 HA PRO 43 HA PRO 43 -12.054 12.224 11.708 294 HB2 PRO 43 1HB PRO 43 -12.100 14.808 12.537 295 HB3 PRO 43 2HB PRO 43 -11.401 14.307 10.993 296 HG2 PRO 43 1HG PRO 43 -14.093 15.488 11.559 297 HG3 PRO 43 2HG PRO 43 -12.961 15.862 10.246 298 HD2 PRO 43 1HD PRO 43 -15.116 14.260 9.899 299 HD3 PRO 43 2HD PRO 43 -13.601 14.030 9.003 300 H SER 44 H SER 44 -13.034 10.880 13.251 301 HA SER 44 HA SER 44 -14.578 12.266 15.343 302 HB2 SER 44 1HB SER 44 -15.896 10.507 14.360 303 HB3 SER 44 2HB SER 44 -14.570 9.355 14.518 304 HG SER 44 HG SER 44 -16.420 10.162 16.366 305 H SER 45 H SER 45 -12.310 9.539 14.954 306 HA SER 45 HA SER 45 -11.556 9.266 17.601 307 HB2 SER 45 1HB SER 45 -9.507 8.201 16.757 308 HB3 SER 45 2HB SER 45 -10.917 7.672 15.840 309 HG SER 45 HG SER 45 -9.148 9.741 15.034 310 H GLY 46 H GLY 46 -9.954 10.132 18.896 311 HA2 GLY 46 1HA GLY 46 -9.463 12.786 18.953 312 HA3 GLY 46 2HA GLY 46 -8.313 11.614 19.580 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -0.794 -6.794 1.137 2 HA2 GLY 1 1HA GLY 1 -0.456 -9.360 -0.284 3 HA3 GLY 1 2HA GLY 1 -0.765 -7.866 -1.155 4 H SER 2 H SER 2 1.508 -9.273 1.193 5 HA SER 2 HA SER 2 3.650 -7.728 -0.117 6 HB2 SER 2 1HB SER 2 3.194 -7.085 2.258 7 HB3 SER 2 2HB SER 2 3.625 -8.725 2.741 8 HG SER 2 HG SER 2 5.270 -6.794 2.566 9 H SER 3 H SER 3 3.869 -9.472 -1.644 10 HA SER 3 HA SER 3 4.770 -12.043 -0.633 11 HB2 SER 3 1HB SER 3 4.531 -11.089 -3.497 12 HB3 SER 3 2HB SER 3 4.760 -12.754 -2.961 13 HG SER 3 HG SER 3 2.530 -11.158 -2.239 14 H GLY 4 H GLY 4 6.060 -9.482 -2.755 15 HA2 GLY 4 1HA GLY 4 8.304 -8.650 -2.407 16 HA3 GLY 4 2HA GLY 4 8.760 -10.256 -1.860 17 H SER 5 H SER 5 10.527 -9.909 -3.429 18 HA SER 5 HA SER 5 9.898 -11.226 -5.905 19 HB2 SER 5 1HB SER 5 10.696 -8.322 -5.865 20 HB3 SER 5 2HB SER 5 11.062 -9.352 -7.249 21 HG SER 5 HG SER 5 8.997 -8.145 -7.271 22 H SER 6 H SER 6 11.616 -12.340 -6.684 23 HA SER 6 HA SER 6 13.756 -13.007 -5.144 24 HB2 SER 6 1HB SER 6 13.262 -14.307 -7.095 25 HB3 SER 6 2HB SER 6 13.555 -12.933 -8.160 26 HG SER 6 HG SER 6 15.680 -13.167 -7.913 27 H GLY 7 H GLY 7 15.490 -11.984 -4.404 28 HA2 GLY 7 1HA GLY 7 17.212 -10.478 -4.208 29 HA3 GLY 7 2HA GLY 7 17.158 -10.327 -5.958 30 H SER 8 H SER 8 14.956 -9.438 -3.296 31 HA SER 8 HA SER 8 15.276 -6.634 -3.815 32 HB2 SER 8 1HB SER 8 12.835 -8.096 -4.783 33 HB3 SER 8 2HB SER 8 12.722 -6.412 -4.273 34 HG SER 8 HG SER 8 14.730 -7.166 -6.079 35 H GLY 9 H GLY 9 15.297 -5.828 -1.830 36 HA2 GLY 9 1HA GLY 9 13.082 -6.137 -0.055 37 HA3 GLY 9 2HA GLY 9 14.469 -7.069 0.488 38 H GLU 10 H GLU 10 16.545 -5.376 -0.232 39 HA GLU 10 HA GLU 10 16.361 -3.427 1.877 40 HB2 GLU 10 1HB GLU 10 18.521 -4.416 0.066 41 HB3 GLU 10 2HB GLU 10 18.744 -2.874 0.881 42 HG2 GLU 10 1HG GLU 10 18.342 -4.008 3.043 43 HG3 GLU 10 2HG GLU 10 18.260 -5.543 2.181 44 H ARG 11 H ARG 11 15.388 -1.542 1.561 45 HA ARG 11 HA ARG 11 15.950 -0.080 -0.928 46 HB2 ARG 11 1HB ARG 11 13.284 -0.517 0.402 47 HB3 ARG 11 2HB ARG 11 13.565 0.835 -0.686 48 HG2 ARG 11 1HG ARG 11 12.640 -0.753 -2.079 49 HG3 ARG 11 2HG ARG 11 14.371 -0.973 -2.346 50 HD2 ARG 11 1HD ARG 11 14.436 -2.921 -1.042 51 HD3 ARG 11 2HD ARG 11 12.877 -2.575 -0.295 52 HE ARG 11 HE ARG 11 13.345 -3.793 -2.883 53 HH11 ARG 11 1HH1 ARG 11 11.070 -2.284 -0.723 54 HH12 ARG 11 2HH1 ARG 11 9.679 -2.954 -1.509 55 HH21 ARG 11 1HH2 ARG 11 11.521 -4.681 -3.928 56 HH22 ARG 11 2HH2 ARG 11 9.937 -4.318 -3.332 57 HA PRO 12 HA PRO 12 16.984 3.326 1.642 58 HB2 PRO 12 1HB PRO 12 16.288 5.408 0.044 59 HB3 PRO 12 2HB PRO 12 17.699 4.389 -0.266 60 HG2 PRO 12 1HG PRO 12 14.975 4.281 -1.503 61 HG3 PRO 12 2HG PRO 12 16.563 4.133 -2.279 62 HD2 PRO 12 1HD PRO 12 15.019 1.985 -1.696 63 HD3 PRO 12 2HD PRO 12 16.793 1.922 -1.669 64 H PHE 13 H PHE 13 13.782 3.496 0.117 65 HA PHE 13 HA PHE 13 12.795 4.908 2.506 66 HB2 PHE 13 1HB PHE 13 11.864 4.978 -0.362 67 HB3 PHE 13 2HB PHE 13 10.872 5.577 0.964 68 HD1 PHE 13 HD1 PHE 13 14.381 5.912 -0.269 69 HD2 PHE 13 HD2 PHE 13 10.950 7.827 1.369 70 HE1 PHE 13 HE1 PHE 13 15.537 8.081 -0.392 71 HE2 PHE 13 HE2 PHE 13 12.100 9.999 1.248 72 HZ PHE 13 HZ PHE 13 14.396 10.128 0.366 73 H LYS 14 H LYS 14 10.515 4.429 3.084 74 HA LYS 14 HA LYS 14 9.422 1.903 2.216 75 HB2 LYS 14 1HB LYS 14 11.051 1.124 3.849 76 HB3 LYS 14 2HB LYS 14 10.429 2.252 5.046 77 HG2 LYS 14 1HG LYS 14 8.524 0.308 3.870 78 HG3 LYS 14 2HG LYS 14 9.729 -0.299 5.009 79 HD2 LYS 14 1HD LYS 14 8.976 1.623 6.531 80 HD3 LYS 14 2HD LYS 14 7.578 1.749 5.461 81 HE2 LYS 14 1HE LYS 14 6.733 0.296 6.999 82 HE3 LYS 14 2HE LYS 14 7.476 -0.861 5.896 83 HZ1 LYS 14 3HZ LYS 14 8.943 0.224 8.222 84 HZ2 LYS 14 1HZ LYS 14 9.277 -1.170 7.323 85 HZ3 LYS 14 2HZ LYS 14 7.943 -1.133 8.361 86 H CYS 15 H CYS 15 7.254 1.678 2.701 87 HA CYS 15 HA CYS 15 5.958 4.102 3.678 88 HB2 CYS 15 1HB CYS 15 5.108 3.289 1.587 89 HB3 CYS 15 2HB CYS 15 4.908 1.664 2.236 90 H ASN 16 H ASN 16 4.930 4.254 5.575 91 HA ASN 16 HA ASN 16 5.056 1.997 7.393 92 HB2 ASN 16 1HB ASN 16 4.029 4.800 7.892 93 HB3 ASN 16 2HB ASN 16 4.406 3.589 9.114 94 HD21 ASN 16 1HD2 ASN 16 6.726 2.682 8.811 95 HD22 ASN 16 2HD2 ASN 16 7.953 3.884 8.622 96 H GLU 17 H GLU 17 2.767 3.486 5.337 97 HA GLU 17 HA GLU 17 0.380 2.919 6.720 98 HB2 GLU 17 1HB GLU 17 0.701 2.949 3.721 99 HB3 GLU 17 2HB GLU 17 -0.747 3.311 4.650 100 HG2 GLU 17 1HG GLU 17 1.744 4.962 4.886 101 HG3 GLU 17 2HG GLU 17 0.528 5.267 3.647 102 H CYS 18 H CYS 18 1.911 1.139 4.032 103 HA CYS 18 HA CYS 18 0.521 -1.282 4.978 104 HB2 CYS 18 1HB CYS 18 0.548 -2.095 2.682 105 HB3 CYS 18 2HB CYS 18 -0.233 -0.519 2.753 106 H GLY 19 H GLY 19 3.492 -0.089 3.434 107 HA2 GLY 19 1HA GLY 19 5.551 -0.904 4.650 108 HA3 GLY 19 2HA GLY 19 4.866 -2.507 4.429 109 H LYS 20 H LYS 20 4.496 -0.155 1.918 110 HA LYS 20 HA LYS 20 5.889 -1.824 0.055 111 HB2 LYS 20 1HB LYS 20 3.910 -0.569 -0.629 112 HB3 LYS 20 2HB LYS 20 4.721 0.948 -0.259 113 HG2 LYS 20 1HG LYS 20 4.827 0.708 -2.594 114 HG3 LYS 20 2HG LYS 20 6.439 0.309 -1.996 115 HD2 LYS 20 1HD LYS 20 6.129 -1.444 -3.424 116 HD3 LYS 20 2HD LYS 20 5.416 -2.137 -1.966 117 HE2 LYS 20 1HE LYS 20 3.924 -2.556 -3.783 118 HE3 LYS 20 2HE LYS 20 3.194 -1.322 -2.758 119 HZ1 LYS 20 3HZ LYS 20 4.583 -0.895 -5.345 120 HZ2 LYS 20 1HZ LYS 20 4.078 0.357 -4.325 121 HZ3 LYS 20 2HZ LYS 20 2.937 -0.677 -5.023 122 H GLY 21 H GLY 21 7.696 -1.183 -1.259 123 HA2 GLY 21 1HA GLY 21 9.409 0.872 -0.013 124 HA3 GLY 21 2HA GLY 21 10.046 -0.716 -0.410 125 H PHE 22 H PHE 22 10.698 2.063 -1.360 126 HA PHE 22 HA PHE 22 10.643 1.420 -4.221 127 HB2 PHE 22 1HB PHE 22 10.026 4.143 -3.054 128 HB3 PHE 22 2HB PHE 22 10.194 3.782 -4.769 129 HD1 PHE 22 HD2 PHE 22 8.160 3.049 -1.765 130 HD2 PHE 22 HD1 PHE 22 8.386 2.972 -6.015 131 HE1 PHE 22 HE2 PHE 22 5.765 2.498 -1.879 132 HE2 PHE 22 HE1 PHE 22 5.991 2.421 -6.135 133 HZ PHE 22 HZ PHE 22 4.678 2.183 -4.066 134 H GLY 23 H GLY 23 12.271 2.668 -5.468 135 HA2 GLY 23 1HA GLY 23 14.779 2.653 -4.046 136 HA3 GLY 23 2HA GLY 23 14.552 2.958 -5.761 137 H ARG 24 H ARG 24 12.821 5.114 -5.695 138 HA ARG 24 HA ARG 24 14.559 7.179 -4.526 139 HB2 ARG 24 1HB ARG 24 12.542 7.561 -6.737 140 HB3 ARG 24 2HB ARG 24 13.823 8.662 -6.249 141 HG2 ARG 24 1HG ARG 24 14.247 5.949 -7.483 142 HG3 ARG 24 2HG ARG 24 14.332 7.489 -8.341 143 HD2 ARG 24 1HD ARG 24 16.004 7.111 -5.907 144 HD3 ARG 24 2HD ARG 24 16.498 6.318 -7.402 145 HE ARG 24 HE ARG 24 16.705 9.090 -6.792 146 HH11 ARG 24 1HH1 ARG 24 16.169 6.839 -9.392 147 HH12 ARG 24 2HH1 ARG 24 16.781 7.904 -10.614 148 HH21 ARG 24 1HH2 ARG 24 17.513 10.501 -8.391 149 HH22 ARG 24 2HH2 ARG 24 17.546 9.986 -10.044 150 H ARG 25 H ARG 25 13.496 9.162 -3.768 151 HA ARG 25 HA ARG 25 11.471 8.601 -1.894 152 HB2 ARG 25 1HB ARG 25 12.713 10.392 -1.202 153 HB3 ARG 25 2HB ARG 25 12.898 11.030 -2.831 154 HG2 ARG 25 1HG ARG 25 11.539 12.449 -1.301 155 HG3 ARG 25 2HG ARG 25 10.719 11.982 -2.791 156 HD2 ARG 25 1HD ARG 25 9.242 10.615 -1.713 157 HD3 ARG 25 2HD ARG 25 10.375 10.236 -0.416 158 HE ARG 25 HE ARG 25 9.425 11.914 0.787 159 HH11 ARG 25 1HH1 ARG 25 8.908 12.567 -2.594 160 HH12 ARG 25 2HH1 ARG 25 7.962 13.990 -2.308 161 HH21 ARG 25 1HH2 ARG 25 8.181 13.786 1.176 162 HH22 ARG 25 2HH2 ARG 25 7.550 14.683 -0.164 163 H SER 26 H SER 26 11.281 10.881 -4.634 164 HA SER 26 HA SER 26 8.611 11.389 -4.644 165 HB2 SER 26 1HB SER 26 10.332 10.937 -7.095 166 HB3 SER 26 2HB SER 26 8.793 11.797 -7.070 167 HG SER 26 HG SER 26 10.199 12.939 -5.222 168 H HIS 27 H HIS 27 10.207 8.483 -5.782 169 HA HIS 27 HA HIS 27 8.073 7.322 -7.179 170 HB2 HIS 27 1HB HIS 27 10.402 6.102 -5.698 171 HB3 HIS 27 2HB HIS 27 9.250 5.138 -6.618 172 HD1 HIS 27 HD1 HIS 27 12.222 5.208 -7.402 173 HD2 HIS 27 HD2 HIS 27 9.321 7.698 -9.029 174 HE1 HIS 27 HE1 HIS 27 13.132 5.932 -9.632 175 H LEU 28 H LEU 28 8.946 7.212 -3.756 176 HA LEU 28 HA LEU 28 6.781 5.434 -3.089 177 HB2 LEU 28 1HB LEU 28 8.601 5.174 -1.682 178 HB3 LEU 28 2HB LEU 28 8.876 6.910 -1.554 179 HG LEU 28 HG LEU 28 6.728 6.999 -0.198 180 HD11 LEU 28 1HD1 LEU 28 7.082 4.194 0.577 181 HD12 LEU 28 2HD1 LEU 28 6.394 4.436 -1.029 182 HD13 LEU 28 3HD1 LEU 28 5.609 5.145 0.382 183 HD21 LEU 28 3HD2 LEU 28 9.302 6.734 0.544 184 HD22 LEU 28 1HD2 LEU 28 8.607 5.310 1.320 185 HD23 LEU 28 2HD2 LEU 28 7.968 6.913 1.684 186 H ALA 29 H ALA 29 7.504 8.874 -2.579 187 HA ALA 29 HA ALA 29 5.446 9.751 -1.079 188 HB1 ALA 29 3HB ALA 29 6.254 11.725 -1.684 189 HB2 ALA 29 1HB ALA 29 7.215 10.925 -2.928 190 HB3 ALA 29 2HB ALA 29 5.602 11.528 -3.311 191 H GLY 30 H GLY 30 5.246 8.954 -4.530 192 HA2 GLY 30 1HA GLY 30 2.528 9.722 -4.838 193 HA3 GLY 30 2HA GLY 30 3.438 8.682 -5.924 194 H HIS 31 H HIS 31 4.081 6.738 -3.845 195 HA HIS 31 HA HIS 31 1.901 5.002 -4.165 196 HB2 HIS 31 1HB HIS 31 4.064 4.065 -3.779 197 HB3 HIS 31 2HB HIS 31 4.246 4.945 -2.264 198 HD1 HIS 31 HD1 HIS 31 2.278 2.083 -3.757 199 HD2 HIS 31 HD2 HIS 31 3.303 3.642 -0.045 200 HE1 HIS 31 HE1 HIS 31 1.504 0.381 -2.075 201 H LEU 32 H LEU 32 2.493 7.492 -1.877 202 HA LEU 32 HA LEU 32 0.550 6.457 0.031 203 HB2 LEU 32 1HB LEU 32 2.126 9.026 0.059 204 HB3 LEU 32 2HB LEU 32 1.136 8.405 1.377 205 HG LEU 32 HG LEU 32 3.212 7.800 2.107 206 HD11 LEU 32 1HD1 LEU 32 1.948 5.768 2.012 207 HD12 LEU 32 2HD1 LEU 32 3.615 5.408 1.566 208 HD13 LEU 32 3HD1 LEU 32 2.375 5.524 0.318 209 HD21 LEU 32 3HD2 LEU 32 5.027 8.016 0.845 210 HD22 LEU 32 1HD2 LEU 32 3.972 8.355 -0.527 211 HD23 LEU 32 2HD2 LEU 32 4.510 6.704 -0.215 212 H ARG 33 H ARG 33 0.806 8.796 -2.523 213 HA ARG 33 HA ARG 33 -1.267 10.533 -1.934 214 HB2 ARG 33 1HB ARG 33 -0.044 9.547 -4.474 215 HB3 ARG 33 2HB ARG 33 -1.526 10.490 -4.567 216 HG2 ARG 33 1HG ARG 33 -0.281 12.190 -3.088 217 HG3 ARG 33 2HG ARG 33 1.172 11.317 -3.577 218 HD2 ARG 33 1HD ARG 33 0.916 13.117 -5.098 219 HD3 ARG 33 2HD ARG 33 0.440 11.655 -5.960 220 HE ARG 33 HE ARG 33 -1.308 13.822 -5.094 221 HH11 ARG 33 1HH1 ARG 33 -0.958 10.680 -6.551 222 HH12 ARG 33 2HH1 ARG 33 -2.529 10.699 -7.280 223 HH21 ARG 33 1HH2 ARG 33 -3.379 13.859 -6.048 224 HH22 ARG 33 2HH2 ARG 33 -3.905 12.508 -6.994 225 H LEU 34 H LEU 34 -1.380 7.260 -3.173 226 HA LEU 34 HA LEU 34 -4.180 7.354 -3.821 227 HB2 LEU 34 1HB LEU 34 -3.956 4.964 -4.226 228 HB3 LEU 34 2HB LEU 34 -2.681 5.877 -5.032 229 HG LEU 34 HG LEU 34 -1.261 5.243 -2.953 230 HD11 LEU 34 1HD1 LEU 34 -3.719 3.802 -2.464 231 HD12 LEU 34 2HD1 LEU 34 -2.330 4.057 -1.408 232 HD13 LEU 34 3HD1 LEU 34 -2.332 2.716 -2.553 233 HD21 LEU 34 3HD2 LEU 34 -2.041 3.474 -5.239 234 HD22 LEU 34 1HD2 LEU 34 -0.855 2.938 -4.049 235 HD23 LEU 34 2HD2 LEU 34 -0.557 4.396 -4.996 236 H HIS 35 H HIS 35 -2.225 6.405 -1.082 237 HA HIS 35 HA HIS 35 -4.085 4.884 0.340 238 HB2 HIS 35 1HB HIS 35 -1.667 6.465 1.044 239 HB3 HIS 35 2HB HIS 35 -2.747 6.020 2.362 240 HD1 HIS 35 HD1 HIS 35 -3.415 3.251 2.123 241 HD2 HIS 35 HD2 HIS 35 0.256 4.610 0.731 242 HE1 HIS 35 HE1 HIS 35 -1.938 1.218 2.026 243 H SER 36 H SER 36 -3.639 8.374 0.139 244 HA SER 36 HA SER 36 -5.520 9.009 2.183 245 HB2 SER 36 1HB SER 36 -3.995 10.526 0.126 246 HB3 SER 36 2HB SER 36 -5.435 11.294 0.794 247 HG SER 36 HG SER 36 -4.424 10.641 2.910 248 H ARG 37 H ARG 37 -5.682 8.748 -1.334 249 HA ARG 37 HA ARG 37 -8.141 9.826 -1.873 250 HB2 ARG 37 1HB ARG 37 -6.930 9.078 -3.729 251 HB3 ARG 37 2HB ARG 37 -6.687 7.477 -3.043 252 HG2 ARG 37 1HG ARG 37 -9.467 8.322 -3.641 253 HG3 ARG 37 2HG ARG 37 -8.408 7.919 -4.994 254 HD2 ARG 37 1HD ARG 37 -7.871 5.802 -3.559 255 HD3 ARG 37 2HD ARG 37 -9.403 6.186 -2.775 256 HE ARG 37 HE ARG 37 -10.088 6.226 -5.361 257 HH11 ARG 37 1HH1 ARG 37 -8.265 3.926 -3.489 258 HH12 ARG 37 2HH1 ARG 37 -8.751 2.565 -4.445 259 HH21 ARG 37 1HH2 ARG 37 -10.735 4.443 -6.628 260 HH22 ARG 37 2HH2 ARG 37 -10.155 2.861 -6.231 261 H GLU 38 H GLU 38 -7.439 6.606 -0.588 262 HA GLU 38 HA GLU 38 -10.285 6.006 -0.395 263 HB2 GLU 38 1HB GLU 38 -8.365 4.366 -1.091 264 HB3 GLU 38 2HB GLU 38 -8.125 4.208 0.643 265 HG2 GLU 38 1HG GLU 38 -9.534 2.433 -0.077 266 HG3 GLU 38 2HG GLU 38 -10.514 3.564 0.856 267 H LYS 39 H LYS 39 -9.625 8.146 1.174 268 HA LYS 39 HA LYS 39 -9.337 7.117 3.901 269 HB2 LYS 39 1HB LYS 39 -9.144 9.869 2.699 270 HB3 LYS 39 2HB LYS 39 -9.289 9.635 4.436 271 HG2 LYS 39 1HG LYS 39 -7.169 8.160 2.956 272 HG3 LYS 39 2HG LYS 39 -6.946 9.877 3.299 273 HD2 LYS 39 1HD LYS 39 -7.694 7.884 5.425 274 HD3 LYS 39 2HD LYS 39 -6.017 8.243 5.009 275 HE2 LYS 39 1HE LYS 39 -6.519 10.656 5.455 276 HE3 LYS 39 2HE LYS 39 -8.096 10.153 6.065 277 HZ1 LYS 39 3HZ LYS 39 -5.996 10.436 7.628 278 HZ2 LYS 39 1HZ LYS 39 -5.758 8.820 7.187 279 HZ3 LYS 39 2HZ LYS 39 -7.200 9.289 7.936 280 H SER 40 H SER 40 -10.855 7.554 5.522 281 HA SER 40 HA SER 40 -13.471 8.532 4.594 282 HB2 SER 40 1HB SER 40 -13.181 5.946 4.903 283 HB3 SER 40 2HB SER 40 -13.297 6.326 6.621 284 HG SER 40 HG SER 40 -15.231 6.433 4.639 285 H SER 41 H SER 41 -14.914 9.178 6.403 286 HA SER 41 HA SER 41 -15.349 10.488 8.211 287 HB2 SER 41 1HB SER 41 -13.212 8.654 9.177 288 HB3 SER 41 2HB SER 41 -13.583 10.060 10.175 289 HG SER 41 HG SER 41 -14.851 7.858 10.258 290 H GLY 42 H GLY 42 -14.064 11.797 6.216 291 HA2 GLY 42 1HA GLY 42 -12.415 13.703 7.732 292 HA3 GLY 42 2HA GLY 42 -11.814 13.081 6.202 293 HA PRO 43 HA PRO 43 -14.525 16.933 5.658 294 HB2 PRO 43 1HB PRO 43 -12.556 18.657 4.937 295 HB3 PRO 43 2HB PRO 43 -13.065 18.428 6.614 296 HG2 PRO 43 1HG PRO 43 -10.718 17.258 5.171 297 HG3 PRO 43 2HG PRO 43 -10.801 17.936 6.808 298 HD2 PRO 43 1HD PRO 43 -10.839 15.271 6.331 299 HD3 PRO 43 2HD PRO 43 -11.702 16.009 7.695 300 H SER 44 H SER 44 -12.757 14.774 3.956 301 HA SER 44 HA SER 44 -13.544 15.977 1.389 302 HB2 SER 44 1HB SER 44 -11.010 16.022 1.919 303 HB3 SER 44 2HB SER 44 -11.069 14.282 1.640 304 HG SER 44 HG SER 44 -11.740 14.655 -0.449 305 H SER 45 H SER 45 -15.063 14.754 0.512 306 HA SER 45 HA SER 45 -14.961 11.842 0.949 307 HB2 SER 45 1HB SER 45 -17.328 13.647 0.407 308 HB3 SER 45 2HB SER 45 -17.418 11.887 0.458 309 HG SER 45 HG SER 45 -16.772 11.960 2.617 310 H GLY 46 H GLY 46 -13.378 12.964 -1.045 311 HA2 GLY 46 1HA GLY 46 -14.820 12.147 -3.493 312 HA3 GLY 46 2HA GLY 46 -13.585 13.398 -3.475 Start of MODEL 19 1 H1 GLY 1 H GLY 1 0.982 -17.279 14.010 2 HA2 GLY 1 1HA GLY 1 1.781 -14.950 13.473 3 HA3 GLY 1 2HA GLY 1 3.287 -15.444 14.233 4 H SER 2 H SER 2 3.877 -14.592 11.948 5 HA SER 2 HA SER 2 4.458 -16.932 10.346 6 HB2 SER 2 1HB SER 2 3.018 -14.592 9.079 7 HB3 SER 2 2HB SER 2 3.529 -16.079 8.281 8 HG SER 2 HG SER 2 1.792 -17.022 8.985 9 H SER 3 H SER 3 6.303 -16.719 9.136 10 HA SER 3 HA SER 3 7.795 -14.223 9.547 11 HB2 SER 3 1HB SER 3 8.623 -17.083 9.164 12 HB3 SER 3 2HB SER 3 9.753 -15.782 8.790 13 HG SER 3 HG SER 3 10.133 -16.128 10.880 14 H GLY 4 H GLY 4 7.454 -16.763 7.058 15 HA2 GLY 4 1HA GLY 4 7.897 -16.617 4.776 16 HA3 GLY 4 2HA GLY 4 6.628 -15.409 4.910 17 H SER 5 H SER 5 9.938 -15.243 6.151 18 HA SER 5 HA SER 5 10.302 -12.629 5.057 19 HB2 SER 5 1HB SER 5 12.595 -12.818 5.979 20 HB3 SER 5 2HB SER 5 11.365 -13.249 7.166 21 HG SER 5 HG SER 5 11.914 -15.344 7.001 22 H SER 6 H SER 6 9.938 -13.057 2.805 23 HA SER 6 HA SER 6 12.134 -14.475 1.456 24 HB2 SER 6 1HB SER 6 9.307 -13.840 0.642 25 HB3 SER 6 2HB SER 6 10.527 -14.251 -0.563 26 HG SER 6 HG SER 6 9.888 -15.858 1.687 27 H GLY 7 H GLY 7 12.725 -11.971 2.483 28 HA2 GLY 7 1HA GLY 7 12.529 -10.090 0.250 29 HA3 GLY 7 2HA GLY 7 13.107 -9.722 1.868 30 H SER 8 H SER 8 14.075 -9.900 -1.214 31 HA SER 8 HA SER 8 16.798 -10.769 -0.492 32 HB2 SER 8 1HB SER 8 15.343 -10.939 -3.136 33 HB3 SER 8 2HB SER 8 17.079 -11.200 -2.970 34 HG SER 8 HG SER 8 15.219 -12.632 -1.404 35 H GLY 9 H GLY 9 16.057 -8.201 0.115 36 HA2 GLY 9 1HA GLY 9 18.044 -6.621 -0.877 37 HA3 GLY 9 2HA GLY 9 16.729 -6.392 -2.019 38 H GLU 10 H GLU 10 18.005 -4.512 -0.121 39 HA GLU 10 HA GLU 10 15.619 -3.804 1.458 40 HB2 GLU 10 1HB GLU 10 17.151 -2.592 2.975 41 HB3 GLU 10 2HB GLU 10 17.487 -4.316 2.912 42 HG2 GLU 10 1HG GLU 10 19.329 -3.869 1.338 43 HG3 GLU 10 2HG GLU 10 19.018 -2.142 1.504 44 H ARG 11 H ARG 11 14.599 -2.005 0.888 45 HA ARG 11 HA ARG 11 15.788 -0.265 -1.111 46 HB2 ARG 11 1HB ARG 11 13.030 -0.425 0.102 47 HB3 ARG 11 2HB ARG 11 13.502 0.835 -1.029 48 HG2 ARG 11 1HG ARG 11 13.693 -2.097 -1.660 49 HG3 ARG 11 2HG ARG 11 12.272 -1.114 -2.018 50 HD2 ARG 11 1HD ARG 11 13.936 0.446 -3.223 51 HD3 ARG 11 2HD ARG 11 15.034 -0.932 -3.168 52 HE ARG 11 HE ARG 11 12.413 -1.478 -4.267 53 HH11 ARG 11 1HH1 ARG 11 15.714 -0.574 -4.905 54 HH12 ARG 11 2HH1 ARG 11 15.669 -1.079 -6.562 55 HH21 ARG 11 1HH2 ARG 11 12.342 -2.146 -6.447 56 HH22 ARG 11 2HH2 ARG 11 13.750 -1.972 -7.438 57 HA PRO 12 HA PRO 12 16.961 3.011 1.563 58 HB2 PRO 12 1HB PRO 12 16.439 5.179 0.015 59 HB3 PRO 12 2HB PRO 12 17.787 4.078 -0.297 60 HG2 PRO 12 1HG PRO 12 15.090 4.186 -1.592 61 HG3 PRO 12 2HG PRO 12 16.682 3.955 -2.339 62 HD2 PRO 12 1HD PRO 12 14.988 1.898 -1.852 63 HD3 PRO 12 2HD PRO 12 16.753 1.717 -1.791 64 H PHE 13 H PHE 13 13.787 3.331 0.028 65 HA PHE 13 HA PHE 13 12.851 4.776 2.419 66 HB2 PHE 13 1HB PHE 13 11.961 4.969 -0.457 67 HB3 PHE 13 2HB PHE 13 11.007 5.612 0.875 68 HD1 PHE 13 HD1 PHE 13 14.425 5.781 -0.589 69 HD2 PHE 13 HD2 PHE 13 11.354 7.783 1.575 70 HE1 PHE 13 HE1 PHE 13 15.733 7.864 -0.666 71 HE2 PHE 13 HE2 PHE 13 12.657 9.869 1.500 72 HZ PHE 13 HZ PHE 13 14.849 9.911 0.378 73 H LYS 14 H LYS 14 10.543 4.413 2.955 74 HA LYS 14 HA LYS 14 9.319 1.979 1.998 75 HB2 LYS 14 1HB LYS 14 10.987 1.244 3.739 76 HB3 LYS 14 2HB LYS 14 10.064 2.165 4.919 77 HG2 LYS 14 1HG LYS 14 8.063 0.755 4.188 78 HG3 LYS 14 2HG LYS 14 9.252 -0.296 3.413 79 HD2 LYS 14 1HD LYS 14 10.414 -0.187 5.764 80 HD3 LYS 14 2HD LYS 14 8.793 0.247 6.312 81 HE2 LYS 14 1HE LYS 14 8.665 -2.022 6.509 82 HE3 LYS 14 2HE LYS 14 8.124 -1.843 4.841 83 HZ1 LYS 14 3HZ LYS 14 10.726 -2.787 5.848 84 HZ2 LYS 14 1HZ LYS 14 10.607 -2.127 4.295 85 HZ3 LYS 14 2HZ LYS 14 9.705 -3.498 4.702 86 H CYS 15 H CYS 15 7.153 1.684 2.798 87 HA CYS 15 HA CYS 15 5.951 4.227 3.628 88 HB2 CYS 15 1HB CYS 15 4.921 3.509 1.649 89 HB3 CYS 15 2HB CYS 15 4.906 1.824 2.158 90 H ASN 16 H ASN 16 4.434 4.333 5.308 91 HA ASN 16 HA ASN 16 4.770 2.238 7.324 92 HB2 ASN 16 1HB ASN 16 3.417 4.891 7.768 93 HB3 ASN 16 2HB ASN 16 4.193 3.843 8.952 94 HD21 ASN 16 1HD2 ASN 16 6.537 3.585 8.761 95 HD22 ASN 16 2HD2 ASN 16 7.474 4.934 8.223 96 H GLU 17 H GLU 17 2.374 3.733 5.293 97 HA GLU 17 HA GLU 17 0.023 3.013 6.577 98 HB2 GLU 17 1HB GLU 17 0.462 2.959 3.589 99 HB3 GLU 17 2HB GLU 17 -1.063 3.197 4.432 100 HG2 GLU 17 1HG GLU 17 1.250 5.087 4.720 101 HG3 GLU 17 2HG GLU 17 0.037 5.252 3.452 102 H CYS 18 H CYS 18 1.683 1.185 4.000 103 HA CYS 18 HA CYS 18 0.413 -1.257 5.054 104 HB2 CYS 18 1HB CYS 18 0.539 -2.173 2.775 105 HB3 CYS 18 2HB CYS 18 -0.415 -0.694 2.822 106 H GLY 19 H GLY 19 3.328 0.084 3.551 107 HA2 GLY 19 1HA GLY 19 5.423 -0.583 4.747 108 HA3 GLY 19 2HA GLY 19 4.825 -2.231 4.619 109 H LYS 20 H LYS 20 4.375 0.011 2.003 110 HA LYS 20 HA LYS 20 5.712 -1.696 0.165 111 HB2 LYS 20 1HB LYS 20 3.790 -0.219 -0.419 112 HB3 LYS 20 2HB LYS 20 4.847 1.174 -0.232 113 HG2 LYS 20 1HG LYS 20 4.705 0.709 -2.547 114 HG3 LYS 20 2HG LYS 20 6.306 0.191 -2.016 115 HD2 LYS 20 1HD LYS 20 5.617 -1.587 -3.331 116 HD3 LYS 20 2HD LYS 20 5.178 -2.125 -1.708 117 HE2 LYS 20 1HE LYS 20 2.882 -1.414 -2.074 118 HE3 LYS 20 2HE LYS 20 3.309 -0.798 -3.670 119 HZ1 LYS 20 3HZ LYS 20 3.284 -3.623 -2.774 120 HZ2 LYS 20 1HZ LYS 20 3.987 -3.122 -4.229 121 HZ3 LYS 20 2HZ LYS 20 2.329 -2.910 -3.974 122 H GLY 21 H GLY 21 7.509 -1.051 -1.236 123 HA2 GLY 21 1HA GLY 21 9.393 0.788 0.098 124 HA3 GLY 21 2HA GLY 21 9.909 -0.806 -0.433 125 H PHE 22 H PHE 22 10.746 1.968 -1.203 126 HA PHE 22 HA PHE 22 10.676 1.509 -4.084 127 HB2 PHE 22 1HB PHE 22 9.930 4.155 -2.820 128 HB3 PHE 22 2HB PHE 22 10.149 3.875 -4.544 129 HD1 PHE 22 HD2 PHE 22 8.052 3.050 -1.624 130 HD2 PHE 22 HD1 PHE 22 8.431 2.938 -5.862 131 HE1 PHE 22 HE2 PHE 22 5.683 2.414 -1.816 132 HE2 PHE 22 HE1 PHE 22 6.062 2.303 -6.061 133 HZ PHE 22 HZ PHE 22 4.685 2.039 -4.036 134 H GLY 23 H GLY 23 12.309 2.774 -5.250 135 HA2 GLY 23 1HA GLY 23 14.731 2.978 -3.648 136 HA3 GLY 23 2HA GLY 23 14.634 3.013 -5.403 137 H ARG 24 H ARG 24 12.702 5.070 -5.652 138 HA ARG 24 HA ARG 24 14.388 7.362 -4.956 139 HB2 ARG 24 1HB ARG 24 12.192 6.987 -6.990 140 HB3 ARG 24 2HB ARG 24 12.888 8.559 -6.621 141 HG2 ARG 24 1HG ARG 24 14.995 7.941 -7.465 142 HG3 ARG 24 2HG ARG 24 14.565 6.230 -7.498 143 HD2 ARG 24 1HD ARG 24 13.032 6.579 -9.297 144 HD3 ARG 24 2HD ARG 24 13.194 8.330 -9.166 145 HE ARG 24 HE ARG 24 15.725 7.448 -9.677 146 HH11 ARG 24 1HH1 ARG 24 12.634 7.100 -11.241 147 HH12 ARG 24 2HH1 ARG 24 13.307 6.978 -12.833 148 HH21 ARG 24 1HH2 ARG 24 16.623 7.289 -11.768 149 HH22 ARG 24 2HH2 ARG 24 15.576 7.085 -13.132 150 H ARG 25 H ARG 25 13.537 9.230 -3.990 151 HA ARG 25 HA ARG 25 11.681 8.803 -1.930 152 HB2 ARG 25 1HB ARG 25 13.508 10.582 -2.076 153 HB3 ARG 25 2HB ARG 25 12.382 11.507 -3.060 154 HG2 ARG 25 1HG ARG 25 11.956 10.614 -0.216 155 HG3 ARG 25 2HG ARG 25 12.303 12.255 -0.767 156 HD2 ARG 25 1HD ARG 25 10.152 11.785 -2.258 157 HD3 ARG 25 2HD ARG 25 9.795 10.677 -0.933 158 HE ARG 25 HE ARG 25 9.718 13.547 -0.861 159 HH11 ARG 25 1HH1 ARG 25 10.103 10.650 1.030 160 HH12 ARG 25 2HH1 ARG 25 9.583 11.389 2.508 161 HH21 ARG 25 1HH2 ARG 25 9.032 14.532 1.079 162 HH22 ARG 25 2HH2 ARG 25 8.973 13.597 2.535 163 H SER 26 H SER 26 11.342 10.685 -4.938 164 HA SER 26 HA SER 26 8.639 11.354 -4.578 165 HB2 SER 26 1HB SER 26 10.021 12.539 -6.188 166 HB3 SER 26 2HB SER 26 10.244 11.064 -7.129 167 HG SER 26 HG SER 26 8.535 12.664 -7.783 168 H HIS 27 H HIS 27 10.186 8.491 -5.827 169 HA HIS 27 HA HIS 27 8.019 7.350 -7.195 170 HB2 HIS 27 1HB HIS 27 10.540 6.331 -5.988 171 HB3 HIS 27 2HB HIS 27 9.291 5.148 -6.366 172 HD1 HIS 27 HD1 HIS 27 11.120 4.273 -8.129 173 HD2 HIS 27 HD2 HIS 27 9.418 7.976 -8.936 174 HE1 HIS 27 HE1 HIS 27 11.621 4.730 -10.550 175 H LEU 28 H LEU 28 8.936 7.272 -3.791 176 HA LEU 28 HA LEU 28 6.815 5.447 -3.089 177 HB2 LEU 28 1HB LEU 28 8.647 5.202 -1.703 178 HB3 LEU 28 2HB LEU 28 8.929 6.939 -1.600 179 HG LEU 28 HG LEU 28 6.852 7.081 -0.181 180 HD11 LEU 28 1HD1 LEU 28 5.609 5.295 0.295 181 HD12 LEU 28 2HD1 LEU 28 7.023 4.295 0.629 182 HD13 LEU 28 3HD1 LEU 28 6.454 4.490 -1.028 183 HD21 LEU 28 3HD2 LEU 28 9.389 6.754 0.531 184 HD22 LEU 28 1HD2 LEU 28 8.737 5.264 1.212 185 HD23 LEU 28 2HD2 LEU 28 8.082 6.823 1.714 186 H ALA 29 H ALA 29 7.525 8.880 -2.461 187 HA ALA 29 HA ALA 29 5.471 9.725 -0.970 188 HB1 ALA 29 3HB ALA 29 6.039 11.782 -1.638 189 HB2 ALA 29 1HB ALA 29 7.266 10.974 -2.614 190 HB3 ALA 29 2HB ALA 29 5.719 11.422 -3.334 191 H GLY 30 H GLY 30 5.228 8.963 -4.426 192 HA2 GLY 30 1HA GLY 30 2.500 9.704 -4.688 193 HA3 GLY 30 2HA GLY 30 3.403 8.682 -5.796 194 H HIS 31 H HIS 31 4.099 6.666 -3.883 195 HA HIS 31 HA HIS 31 1.938 4.933 -4.145 196 HB2 HIS 31 1HB HIS 31 4.106 4.010 -3.780 197 HB3 HIS 31 2HB HIS 31 4.301 4.892 -2.268 198 HD1 HIS 31 HD1 HIS 31 2.463 1.952 -3.738 199 HD2 HIS 31 HD2 HIS 31 3.279 3.639 -0.030 200 HE1 HIS 31 HE1 HIS 31 1.698 0.257 -2.045 201 H LEU 32 H LEU 32 2.458 7.441 -1.882 202 HA LEU 32 HA LEU 32 0.570 6.348 0.053 203 HB2 LEU 32 1HB LEU 32 2.120 8.933 0.044 204 HB3 LEU 32 2HB LEU 32 1.093 8.368 1.360 205 HG LEU 32 HG LEU 32 3.101 7.720 2.188 206 HD11 LEU 32 1HD1 LEU 32 3.564 5.354 1.668 207 HD12 LEU 32 2HD1 LEU 32 2.457 5.461 0.300 208 HD13 LEU 32 3HD1 LEU 32 1.851 5.672 1.942 209 HD21 LEU 32 3HD2 LEU 32 4.081 8.515 -0.202 210 HD22 LEU 32 1HD2 LEU 32 4.405 6.783 -0.277 211 HD23 LEU 32 2HD2 LEU 32 5.047 7.742 1.056 212 H ARG 33 H ARG 33 0.740 8.690 -2.506 213 HA ARG 33 HA ARG 33 -1.359 10.382 -1.923 214 HB2 ARG 33 1HB ARG 33 -0.200 9.345 -4.477 215 HB3 ARG 33 2HB ARG 33 -1.682 10.290 -4.538 216 HG2 ARG 33 1HG ARG 33 -0.520 12.109 -3.325 217 HG3 ARG 33 2HG ARG 33 0.970 11.167 -3.418 218 HD2 ARG 33 1HD ARG 33 1.238 12.457 -5.275 219 HD3 ARG 33 2HD ARG 33 0.340 11.120 -5.990 220 HE ARG 33 HE ARG 33 -1.471 12.515 -6.276 221 HH11 ARG 33 1HH1 ARG 33 0.925 14.069 -4.285 222 HH12 ARG 33 2HH1 ARG 33 0.162 15.623 -4.352 223 HH21 ARG 33 1HH2 ARG 33 -2.485 14.556 -6.372 224 HH22 ARG 33 2HH2 ARG 33 -1.778 15.898 -5.538 225 H LEU 34 H LEU 34 -1.448 7.102 -3.182 226 HA LEU 34 HA LEU 34 -4.249 7.114 -3.753 227 HB2 LEU 34 1HB LEU 34 -3.964 4.658 -3.944 228 HB3 LEU 34 2HB LEU 34 -2.849 5.591 -4.942 229 HG LEU 34 HG LEU 34 -1.195 5.224 -2.964 230 HD11 LEU 34 1HD1 LEU 34 -3.470 3.614 -2.178 231 HD12 LEU 34 2HD1 LEU 34 -2.035 4.069 -1.260 232 HD13 LEU 34 3HD1 LEU 34 -1.995 2.656 -2.314 233 HD21 LEU 34 3HD2 LEU 34 -0.872 2.780 -3.982 234 HD22 LEU 34 1HD2 LEU 34 -0.458 4.245 -4.872 235 HD23 LEU 34 2HD2 LEU 34 -1.991 3.430 -5.181 236 H HIS 35 H HIS 35 -2.265 6.249 -0.995 237 HA HIS 35 HA HIS 35 -4.132 4.807 0.497 238 HB2 HIS 35 1HB HIS 35 -1.682 6.373 1.125 239 HB3 HIS 35 2HB HIS 35 -2.752 5.976 2.467 240 HD1 HIS 35 HD1 HIS 35 -3.445 3.219 2.347 241 HD2 HIS 35 HD2 HIS 35 0.201 4.478 0.802 242 HE1 HIS 35 HE1 HIS 35 -1.998 1.163 2.277 243 H SER 36 H SER 36 -3.681 8.268 0.102 244 HA SER 36 HA SER 36 -5.953 8.755 1.906 245 HB2 SER 36 1HB SER 36 -3.646 10.471 1.022 246 HB3 SER 36 2HB SER 36 -5.112 11.198 1.678 247 HG SER 36 HG SER 36 -3.450 9.287 2.962 248 H ARG 37 H ARG 37 -6.552 7.725 -0.587 249 HA ARG 37 HA ARG 37 -7.377 9.993 -2.238 250 HB2 ARG 37 1HB ARG 37 -7.731 8.461 -3.991 251 HB3 ARG 37 2HB ARG 37 -6.272 7.895 -3.187 252 HG2 ARG 37 1HG ARG 37 -7.462 6.139 -2.100 253 HG3 ARG 37 2HG ARG 37 -9.013 6.784 -2.643 254 HD2 ARG 37 1HD ARG 37 -6.890 5.960 -4.595 255 HD3 ARG 37 2HD ARG 37 -8.010 4.783 -3.909 256 HE ARG 37 HE ARG 37 -8.574 6.699 -5.944 257 HH11 ARG 37 1HH1 ARG 37 -9.969 4.964 -3.267 258 HH12 ARG 37 2HH1 ARG 37 -11.584 5.039 -3.891 259 HH21 ARG 37 1HH2 ARG 37 -10.695 6.805 -6.775 260 HH22 ARG 37 2HH2 ARG 37 -11.995 6.086 -5.887 261 H GLU 38 H GLU 38 -8.737 7.266 -0.444 262 HA GLU 38 HA GLU 38 -11.444 7.823 -1.132 263 HB2 GLU 38 1HB GLU 38 -10.538 5.608 -0.323 264 HB3 GLU 38 2HB GLU 38 -10.466 6.307 1.288 265 HG2 GLU 38 1HG GLU 38 -12.970 6.836 0.900 266 HG3 GLU 38 2HG GLU 38 -12.853 5.615 -0.365 267 H LYS 39 H LYS 39 -9.492 8.457 1.771 268 HA LYS 39 HA LYS 39 -11.289 9.583 3.458 269 HB2 LYS 39 1HB LYS 39 -8.534 10.686 2.873 270 HB3 LYS 39 2HB LYS 39 -9.473 10.991 4.328 271 HG2 LYS 39 1HG LYS 39 -9.421 8.534 4.779 272 HG3 LYS 39 2HG LYS 39 -8.300 8.372 3.425 273 HD2 LYS 39 1HD LYS 39 -6.731 9.877 4.536 274 HD3 LYS 39 2HD LYS 39 -7.858 10.073 5.880 275 HE2 LYS 39 1HE LYS 39 -6.855 7.368 5.056 276 HE3 LYS 39 2HE LYS 39 -5.924 8.399 6.142 277 HZ1 LYS 39 3HZ LYS 39 -8.752 7.693 6.664 278 HZ2 LYS 39 1HZ LYS 39 -7.622 8.344 7.742 279 HZ3 LYS 39 2HZ LYS 39 -7.465 6.744 7.217 280 H SER 40 H SER 40 -12.573 11.321 3.525 281 HA SER 40 HA SER 40 -13.516 13.338 3.020 282 HB2 SER 40 1HB SER 40 -11.030 14.053 2.932 283 HB3 SER 40 2HB SER 40 -11.219 13.974 1.181 284 HG SER 40 HG SER 40 -12.718 15.579 1.266 285 H SER 41 H SER 41 -14.230 11.046 1.618 286 HA SER 41 HA SER 41 -14.905 12.175 -1.017 287 HB2 SER 41 1HB SER 41 -14.735 9.984 -2.023 288 HB3 SER 41 2HB SER 41 -13.225 10.325 -1.179 289 HG SER 41 HG SER 41 -13.665 8.384 -0.410 290 H GLY 42 H GLY 42 -15.840 9.800 1.460 291 HA2 GLY 42 1HA GLY 42 -18.127 10.105 2.373 292 HA3 GLY 42 2HA GLY 42 -18.655 10.296 0.708 293 HA PRO 43 HA PRO 43 -19.390 5.894 1.908 294 HB2 PRO 43 1HB PRO 43 -21.843 5.754 0.753 295 HB3 PRO 43 2HB PRO 43 -21.589 6.343 2.400 296 HG2 PRO 43 1HG PRO 43 -21.974 7.897 -0.130 297 HG3 PRO 43 2HG PRO 43 -22.674 8.180 1.474 298 HD2 PRO 43 1HD PRO 43 -20.552 9.580 0.543 299 HD3 PRO 43 2HD PRO 43 -20.766 9.203 2.265 300 H SER 44 H SER 44 -19.603 4.036 0.537 301 HA SER 44 HA SER 44 -18.263 4.309 -1.949 302 HB2 SER 44 1HB SER 44 -18.058 2.298 -0.530 303 HB3 SER 44 2HB SER 44 -19.751 1.915 -0.840 304 HG SER 44 HG SER 44 -18.278 0.786 -2.223 305 H SER 45 H SER 45 -21.565 3.185 -1.199 306 HA SER 45 HA SER 45 -22.439 3.087 -3.869 307 HB2 SER 45 1HB SER 45 -23.565 1.972 -1.926 308 HB3 SER 45 2HB SER 45 -24.160 3.554 -1.425 309 HG SER 45 HG SER 45 -25.642 2.309 -2.740 310 H GLY 46 H GLY 46 -23.244 5.507 -1.366 311 HA2 GLY 46 1HA GLY 46 -22.735 7.782 -2.848 312 HA3 GLY 46 2HA GLY 46 -24.384 7.321 -3.245 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -7.179 -6.201 8.482 2 HA2 GLY 1 1HA GLY 1 -7.605 -7.761 10.782 3 HA3 GLY 1 2HA GLY 1 -7.870 -8.772 9.369 4 H SER 2 H SER 2 -5.978 -7.967 7.620 5 HA SER 2 HA SER 2 -3.708 -9.329 8.377 6 HB2 SER 2 1HB SER 2 -4.304 -7.325 6.249 7 HB3 SER 2 2HB SER 2 -2.616 -7.743 6.539 8 HG SER 2 HG SER 2 -3.468 -9.141 5.004 9 H SER 3 H SER 3 -1.567 -8.648 8.907 10 HA SER 3 HA SER 3 -1.561 -6.337 10.696 11 HB2 SER 3 1HB SER 3 0.065 -8.828 10.459 12 HB3 SER 3 2HB SER 3 0.826 -7.408 11.178 13 HG SER 3 HG SER 3 -0.540 -9.040 12.499 14 H GLY 4 H GLY 4 0.595 -7.755 8.227 15 HA2 GLY 4 1HA GLY 4 0.985 -5.605 6.616 16 HA3 GLY 4 2HA GLY 4 2.065 -5.287 7.966 17 H SER 5 H SER 5 3.903 -5.445 6.657 18 HA SER 5 HA SER 5 4.486 -8.150 5.645 19 HB2 SER 5 1HB SER 5 6.081 -7.095 4.105 20 HB3 SER 5 2HB SER 5 4.465 -6.421 3.891 21 HG SER 5 HG SER 5 5.189 -4.542 4.490 22 H SER 6 H SER 6 6.380 -9.154 6.210 23 HA SER 6 HA SER 6 7.459 -8.816 8.690 24 HB2 SER 6 1HB SER 6 7.844 -10.653 6.818 25 HB3 SER 6 2HB SER 6 9.313 -9.722 6.529 26 HG SER 6 HG SER 6 10.064 -10.861 8.129 27 H GLY 7 H GLY 7 9.817 -8.273 9.200 28 HA2 GLY 7 1HA GLY 7 10.228 -5.510 8.512 29 HA3 GLY 7 2HA GLY 7 11.214 -6.473 9.602 30 H SER 8 H SER 8 10.411 -6.684 6.134 31 HA SER 8 HA SER 8 13.301 -6.884 5.595 32 HB2 SER 8 1HB SER 8 11.988 -8.930 5.056 33 HB3 SER 8 2HB SER 8 11.029 -7.982 3.920 34 HG SER 8 HG SER 8 13.167 -7.468 2.944 35 H GLY 9 H GLY 9 13.438 -4.567 5.499 36 HA2 GLY 9 1HA GLY 9 12.394 -3.498 2.951 37 HA3 GLY 9 2HA GLY 9 12.397 -2.539 4.424 38 H GLU 10 H GLU 10 14.540 -4.252 2.175 39 HA GLU 10 HA GLU 10 16.919 -3.015 3.120 40 HB2 GLU 10 1HB GLU 10 16.178 -4.639 0.722 41 HB3 GLU 10 2HB GLU 10 17.708 -3.775 0.723 42 HG2 GLU 10 1HG GLU 10 16.916 -5.624 2.947 43 HG3 GLU 10 2HG GLU 10 17.738 -6.189 1.494 44 H ARG 11 H ARG 11 14.579 -2.237 0.620 45 HA ARG 11 HA ARG 11 15.865 -0.397 -0.919 46 HB2 ARG 11 1HB ARG 11 13.060 -0.626 0.059 47 HB3 ARG 11 2HB ARG 11 13.529 0.866 -0.745 48 HG2 ARG 11 1HG ARG 11 12.631 -0.486 -2.429 49 HG3 ARG 11 2HG ARG 11 14.380 -0.599 -2.636 50 HD2 ARG 11 1HD ARG 11 13.596 -2.804 -2.840 51 HD3 ARG 11 2HD ARG 11 14.253 -2.699 -1.207 52 HE ARG 11 HE ARG 11 12.156 -3.079 -0.382 53 HH11 ARG 11 1HH1 ARG 11 11.904 -2.132 -3.722 54 HH12 ARG 11 2HH1 ARG 11 10.205 -2.456 -3.822 55 HH21 ARG 11 1HH2 ARG 11 9.919 -3.509 -0.500 56 HH22 ARG 11 2HH2 ARG 11 9.077 -3.239 -1.988 57 HA PRO 12 HA PRO 12 17.019 3.095 1.472 58 HB2 PRO 12 1HB PRO 12 16.431 5.165 -0.184 59 HB3 PRO 12 2HB PRO 12 17.779 4.058 -0.471 60 HG2 PRO 12 1HG PRO 12 15.045 4.069 -1.690 61 HG3 PRO 12 2HG PRO 12 16.616 3.807 -2.469 62 HD2 PRO 12 1HD PRO 12 14.958 1.770 -1.814 63 HD3 PRO 12 2HD PRO 12 16.725 1.606 -1.795 64 H PHE 13 H PHE 13 13.781 3.206 0.072 65 HA PHE 13 HA PHE 13 12.901 4.782 2.401 66 HB2 PHE 13 1HB PHE 13 11.927 4.882 -0.455 67 HB3 PHE 13 2HB PHE 13 11.041 5.598 0.887 68 HD1 PHE 13 HD1 PHE 13 14.501 5.592 -0.512 69 HD2 PHE 13 HD2 PHE 13 11.354 7.833 1.274 70 HE1 PHE 13 HE1 PHE 13 15.843 7.643 -0.729 71 HE2 PHE 13 HE2 PHE 13 12.691 9.888 1.059 72 HZ PHE 13 HZ PHE 13 14.938 9.795 0.056 73 H LYS 14 H LYS 14 10.616 4.429 3.006 74 HA LYS 14 HA LYS 14 9.419 1.926 2.158 75 HB2 LYS 14 1HB LYS 14 10.976 1.218 3.921 76 HB3 LYS 14 2HB LYS 14 10.255 2.377 5.030 77 HG2 LYS 14 1HG LYS 14 8.058 1.111 4.581 78 HG3 LYS 14 2HG LYS 14 9.103 -0.164 3.950 79 HD2 LYS 14 1HD LYS 14 10.261 -0.317 6.065 80 HD3 LYS 14 2HD LYS 14 9.346 1.053 6.701 81 HE2 LYS 14 1HE LYS 14 8.218 -0.757 7.597 82 HE3 LYS 14 2HE LYS 14 7.271 -0.400 6.154 83 HZ1 LYS 14 3HZ LYS 14 9.388 -2.476 6.320 84 HZ2 LYS 14 1HZ LYS 14 8.388 -2.168 4.991 85 HZ3 LYS 14 2HZ LYS 14 7.727 -2.779 6.423 86 H CYS 15 H CYS 15 7.229 1.697 2.807 87 HA CYS 15 HA CYS 15 5.956 4.259 3.384 88 HB2 CYS 15 1HB CYS 15 5.060 3.121 1.477 89 HB3 CYS 15 2HB CYS 15 4.884 1.620 2.380 90 H ASN 16 H ASN 16 4.569 4.615 5.093 91 HA ASN 16 HA ASN 16 4.898 2.788 7.347 92 HB2 ASN 16 1HB ASN 16 4.170 5.671 7.052 93 HB3 ASN 16 2HB ASN 16 3.621 4.810 8.487 94 HD21 ASN 16 1HD2 ASN 16 6.018 6.676 7.278 95 HD22 ASN 16 2HD2 ASN 16 7.306 6.225 8.337 96 H GLU 17 H GLU 17 2.500 3.905 5.113 97 HA GLU 17 HA GLU 17 0.167 3.314 6.554 98 HB2 GLU 17 1HB GLU 17 0.508 3.034 3.568 99 HB3 GLU 17 2HB GLU 17 -0.979 3.360 4.447 100 HG2 GLU 17 1HG GLU 17 1.355 5.242 4.502 101 HG3 GLU 17 2HG GLU 17 0.115 5.309 3.252 102 H CYS 18 H CYS 18 1.815 1.339 4.080 103 HA CYS 18 HA CYS 18 0.618 -1.046 5.334 104 HB2 CYS 18 1HB CYS 18 0.671 -2.118 3.130 105 HB3 CYS 18 2HB CYS 18 -0.281 -0.637 3.086 106 H GLY 19 H GLY 19 3.448 0.200 3.590 107 HA2 GLY 19 1HA GLY 19 5.574 -0.378 4.863 108 HA3 GLY 19 2HA GLY 19 5.019 -2.037 4.702 109 H LYS 20 H LYS 20 4.234 -0.127 2.023 110 HA LYS 20 HA LYS 20 5.628 -1.634 0.175 111 HB2 LYS 20 1HB LYS 20 3.754 0.059 -0.219 112 HB3 LYS 20 2HB LYS 20 5.011 1.289 -0.228 113 HG2 LYS 20 1HG LYS 20 4.419 0.611 -2.486 114 HG3 LYS 20 2HG LYS 20 6.092 0.189 -2.113 115 HD2 LYS 20 1HD LYS 20 5.664 -2.060 -2.098 116 HD3 LYS 20 2HD LYS 20 3.983 -1.846 -1.604 117 HE2 LYS 20 1HE LYS 20 3.711 -2.498 -3.788 118 HE3 LYS 20 2HE LYS 20 3.753 -0.745 -3.971 119 HZ1 LYS 20 3HZ LYS 20 5.765 -0.805 -4.978 120 HZ2 LYS 20 1HZ LYS 20 5.241 -2.350 -5.427 121 HZ3 LYS 20 2HZ LYS 20 6.299 -2.163 -4.121 122 H GLY 21 H GLY 21 7.400 -0.927 -1.285 123 HA2 GLY 21 1HA GLY 21 9.388 0.757 0.093 124 HA3 GLY 21 2HA GLY 21 9.834 -0.841 -0.486 125 H PHE 22 H PHE 22 10.889 1.805 -1.216 126 HA PHE 22 HA PHE 22 10.756 1.448 -4.092 127 HB2 PHE 22 1HB PHE 22 10.057 4.099 -2.811 128 HB3 PHE 22 2HB PHE 22 10.250 3.813 -4.538 129 HD1 PHE 22 HD2 PHE 22 8.178 3.008 -1.590 130 HD2 PHE 22 HD1 PHE 22 8.493 2.928 -5.834 131 HE1 PHE 22 HE2 PHE 22 5.796 2.415 -1.752 132 HE2 PHE 22 HE1 PHE 22 6.111 2.336 -6.003 133 HZ PHE 22 HZ PHE 22 4.759 2.078 -3.961 134 H GLY 23 H GLY 23 12.378 2.814 -5.228 135 HA2 GLY 23 1HA GLY 23 14.823 2.875 -3.654 136 HA3 GLY 23 2HA GLY 23 14.700 3.047 -5.398 137 H ARG 24 H ARG 24 12.817 5.140 -5.491 138 HA ARG 24 HA ARG 24 14.471 7.346 -4.464 139 HB2 ARG 24 1HB ARG 24 12.498 7.360 -6.755 140 HB3 ARG 24 2HB ARG 24 13.519 8.703 -6.261 141 HG2 ARG 24 1HG ARG 24 15.489 7.148 -6.724 142 HG3 ARG 24 2HG ARG 24 14.320 6.125 -7.561 143 HD2 ARG 24 1HD ARG 24 15.036 7.412 -9.308 144 HD3 ARG 24 2HD ARG 24 13.689 8.396 -8.738 145 HE ARG 24 HE ARG 24 16.265 9.038 -7.588 146 HH11 ARG 24 1HH1 ARG 24 13.947 9.695 -10.100 147 HH12 ARG 24 2HH1 ARG 24 14.557 11.284 -10.428 148 HH21 ARG 24 1HH2 ARG 24 17.078 11.127 -8.009 149 HH22 ARG 24 2HH2 ARG 24 16.339 12.096 -9.238 150 H ARG 25 H ARG 25 13.435 9.226 -3.627 151 HA ARG 25 HA ARG 25 11.351 8.701 -1.831 152 HB2 ARG 25 1HB ARG 25 12.611 10.494 -1.148 153 HB3 ARG 25 2HB ARG 25 12.769 11.141 -2.775 154 HG2 ARG 25 1HG ARG 25 11.397 12.512 -1.184 155 HG3 ARG 25 2HG ARG 25 10.608 12.096 -2.706 156 HD2 ARG 25 1HD ARG 25 9.112 10.696 -1.708 157 HD3 ARG 25 2HD ARG 25 10.228 10.251 -0.416 158 HE ARG 25 HE ARG 25 8.415 12.518 -0.459 159 HH11 ARG 25 1HH1 ARG 25 11.105 10.930 1.076 160 HH12 ARG 25 2HH1 ARG 25 10.910 11.768 2.580 161 HH21 ARG 25 1HH2 ARG 25 8.148 13.628 1.515 162 HH22 ARG 25 2HH2 ARG 25 9.227 13.302 2.829 163 H SER 26 H SER 26 11.223 10.947 -4.603 164 HA SER 26 HA SER 26 8.534 11.424 -4.658 165 HB2 SER 26 1HB SER 26 9.836 12.667 -6.172 166 HB3 SER 26 2HB SER 26 10.550 11.220 -6.885 167 HG SER 26 HG SER 26 9.035 11.422 -8.320 168 H HIS 27 H HIS 27 10.215 8.553 -5.714 169 HA HIS 27 HA HIS 27 8.122 7.390 -7.213 170 HB2 HIS 27 1HB HIS 27 10.649 6.428 -5.972 171 HB3 HIS 27 2HB HIS 27 9.446 5.214 -6.398 172 HD1 HIS 27 HD1 HIS 27 11.105 4.319 -8.218 173 HD2 HIS 27 HD2 HIS 27 9.769 8.205 -8.832 174 HE1 HIS 27 HE1 HIS 27 11.700 4.866 -10.599 175 H LEU 28 H LEU 28 8.945 7.320 -3.792 176 HA LEU 28 HA LEU 28 6.844 5.422 -3.183 177 HB2 LEU 28 1HB LEU 28 8.649 5.112 -1.784 178 HB3 LEU 28 2HB LEU 28 8.956 6.840 -1.628 179 HG LEU 28 HG LEU 28 6.847 6.955 -0.231 180 HD11 LEU 28 1HD1 LEU 28 6.285 4.517 -1.132 181 HD12 LEU 28 2HD1 LEU 28 5.730 5.098 0.437 182 HD13 LEU 28 3HD1 LEU 28 7.155 4.064 0.334 183 HD21 LEU 28 3HD2 LEU 28 9.387 6.649 0.490 184 HD22 LEU 28 1HD2 LEU 28 8.745 5.145 1.152 185 HD23 LEU 28 2HD2 LEU 28 8.073 6.693 1.666 186 H ALA 29 H ALA 29 7.512 8.860 -2.625 187 HA ALA 29 HA ALA 29 5.458 9.650 -1.048 188 HB1 ALA 29 3HB ALA 29 6.921 10.927 -3.269 189 HB2 ALA 29 1HB ALA 29 5.406 11.693 -2.789 190 HB3 ALA 29 2HB ALA 29 6.691 11.458 -1.603 191 H GLY 30 H GLY 30 5.250 8.970 -4.523 192 HA2 GLY 30 1HA GLY 30 2.538 9.731 -4.820 193 HA3 GLY 30 2HA GLY 30 3.442 8.694 -5.913 194 H HIS 31 H HIS 31 4.074 6.717 -3.878 195 HA HIS 31 HA HIS 31 1.860 5.018 -4.195 196 HB2 HIS 31 1HB HIS 31 3.984 4.005 -3.884 197 HB3 HIS 31 2HB HIS 31 4.273 4.894 -2.391 198 HD1 HIS 31 HD1 HIS 31 2.163 2.067 -3.744 199 HD2 HIS 31 HD2 HIS 31 3.400 3.649 -0.107 200 HE1 HIS 31 HE1 HIS 31 1.429 0.406 -2.004 201 H LEU 32 H LEU 32 2.493 7.486 -1.918 202 HA LEU 32 HA LEU 32 0.608 6.426 0.039 203 HB2 LEU 32 1HB LEU 32 2.227 8.970 0.043 204 HB3 LEU 32 2HB LEU 32 1.224 8.393 1.373 205 HG LEU 32 HG LEU 32 3.245 7.690 2.126 206 HD11 LEU 32 1HD1 LEU 32 2.462 5.488 0.224 207 HD12 LEU 32 2HD1 LEU 32 1.962 5.672 1.905 208 HD13 LEU 32 3HD1 LEU 32 3.647 5.321 1.520 209 HD21 LEU 32 3HD2 LEU 32 4.065 8.306 -0.495 210 HD22 LEU 32 1HD2 LEU 32 4.629 6.669 -0.161 211 HD23 LEU 32 2HD2 LEU 32 5.079 7.993 0.915 212 H ARG 33 H ARG 33 0.680 8.541 -2.640 213 HA ARG 33 HA ARG 33 -1.337 10.369 -1.942 214 HB2 ARG 33 1HB ARG 33 -0.305 9.338 -4.571 215 HB3 ARG 33 2HB ARG 33 -1.657 10.461 -4.506 216 HG2 ARG 33 1HG ARG 33 -0.048 11.883 -3.033 217 HG3 ARG 33 2HG ARG 33 1.204 10.898 -3.793 218 HD2 ARG 33 1HD ARG 33 0.854 12.967 -5.030 219 HD3 ARG 33 2HD ARG 33 0.391 11.568 -5.999 220 HE ARG 33 HE ARG 33 -1.390 13.587 -4.881 221 HH11 ARG 33 1HH1 ARG 33 -1.001 10.590 -6.608 222 HH12 ARG 33 2HH1 ARG 33 -2.603 10.611 -7.267 223 HH21 ARG 33 1HH2 ARG 33 -3.501 13.626 -5.742 224 HH22 ARG 33 2HH2 ARG 33 -4.024 12.339 -6.775 225 H LEU 34 H LEU 34 -1.458 7.072 -3.064 226 HA LEU 34 HA LEU 34 -4.271 7.145 -3.690 227 HB2 LEU 34 1HB LEU 34 -4.015 4.701 -3.967 228 HB3 LEU 34 2HB LEU 34 -2.885 5.645 -4.935 229 HG LEU 34 HG LEU 34 -1.296 5.177 -2.864 230 HD11 LEU 34 1HD1 LEU 34 -1.762 2.703 -2.265 231 HD12 LEU 34 2HD1 LEU 34 -3.425 3.084 -2.710 232 HD13 LEU 34 3HD1 LEU 34 -2.633 3.976 -1.410 233 HD21 LEU 34 3HD2 LEU 34 -1.906 3.196 -5.055 234 HD22 LEU 34 1HD2 LEU 34 -0.432 3.229 -4.087 235 HD23 LEU 34 2HD2 LEU 34 -0.810 4.575 -5.163 236 H HIS 35 H HIS 35 -2.278 6.379 -0.946 237 HA HIS 35 HA HIS 35 -4.129 4.852 0.531 238 HB2 HIS 35 1HB HIS 35 -1.651 6.379 1.152 239 HB3 HIS 35 2HB HIS 35 -2.705 5.964 2.501 240 HD1 HIS 35 HD1 HIS 35 -3.449 3.206 2.271 241 HD2 HIS 35 HD2 HIS 35 0.229 4.484 0.821 242 HE1 HIS 35 HE1 HIS 35 -2.018 1.141 2.151 243 H SER 36 H SER 36 -3.672 8.307 0.150 244 HA SER 36 HA SER 36 -5.707 8.879 2.163 245 HB2 SER 36 1HB SER 36 -5.053 11.176 1.975 246 HB3 SER 36 2HB SER 36 -3.570 10.222 1.999 247 HG SER 36 HG SER 36 -4.281 10.417 -0.519 248 H ARG 37 H ARG 37 -6.568 7.487 -0.149 249 HA ARG 37 HA ARG 37 -7.914 9.450 -1.824 250 HB2 ARG 37 1HB ARG 37 -8.600 7.583 -3.183 251 HB3 ARG 37 2HB ARG 37 -6.890 7.408 -2.811 252 HG2 ARG 37 1HG ARG 37 -7.654 5.890 -0.897 253 HG3 ARG 37 2HG ARG 37 -9.212 5.859 -1.726 254 HD2 ARG 37 1HD ARG 37 -6.682 5.252 -3.207 255 HD3 ARG 37 2HD ARG 37 -7.467 4.011 -2.231 256 HE ARG 37 HE ARG 37 -9.254 5.309 -4.060 257 HH11 ARG 37 1HH1 ARG 37 -6.888 2.781 -3.703 258 HH12 ARG 37 2HH1 ARG 37 -7.511 1.833 -5.013 259 HH21 ARG 37 1HH2 ARG 37 -10.084 4.071 -5.787 260 HH22 ARG 37 2HH2 ARG 37 -9.328 2.569 -6.198 261 H GLU 38 H GLU 38 -8.706 6.943 0.541 262 HA GLU 38 HA GLU 38 -11.518 7.772 0.469 263 HB2 GLU 38 1HB GLU 38 -11.952 5.734 1.780 264 HB3 GLU 38 2HB GLU 38 -11.135 5.380 0.264 265 HG2 GLU 38 1HG GLU 38 -9.030 5.115 1.414 266 HG3 GLU 38 2HG GLU 38 -9.777 5.580 2.941 267 H LYS 39 H LYS 39 -8.737 7.509 2.606 268 HA LYS 39 HA LYS 39 -9.620 7.894 5.091 269 HB2 LYS 39 1HB LYS 39 -7.233 8.018 4.354 270 HB3 LYS 39 2HB LYS 39 -7.514 9.685 3.869 271 HG2 LYS 39 1HG LYS 39 -7.858 10.379 6.097 272 HG3 LYS 39 2HG LYS 39 -7.980 8.715 6.673 273 HD2 LYS 39 1HD LYS 39 -5.544 8.563 5.657 274 HD3 LYS 39 2HD LYS 39 -5.575 10.306 5.935 275 HE2 LYS 39 1HE LYS 39 -4.728 9.549 7.935 276 HE3 LYS 39 2HE LYS 39 -6.452 9.615 8.298 277 HZ1 LYS 39 3HZ LYS 39 -6.370 7.475 8.798 278 HZ2 LYS 39 1HZ LYS 39 -4.732 7.397 8.382 279 HZ3 LYS 39 2HZ LYS 39 -5.917 7.107 7.210 280 H SER 40 H SER 40 -10.267 9.619 6.439 281 HA SER 40 HA SER 40 -11.979 11.529 5.102 282 HB2 SER 40 1HB SER 40 -12.598 10.245 7.213 283 HB3 SER 40 2HB SER 40 -11.489 11.311 8.075 284 HG SER 40 HG SER 40 -13.588 12.292 6.450 285 H SER 41 H SER 41 -11.824 13.762 5.210 286 HA SER 41 HA SER 41 -9.678 15.060 6.610 287 HB2 SER 41 1HB SER 41 -8.690 14.058 4.429 288 HB3 SER 41 2HB SER 41 -9.581 15.345 3.617 289 HG SER 41 HG SER 41 -7.274 15.694 4.401 290 H GLY 42 H GLY 42 -10.849 16.667 7.448 291 HA2 GLY 42 1HA GLY 42 -11.941 18.708 7.461 292 HA3 GLY 42 2HA GLY 42 -11.970 18.662 5.704 293 HA PRO 43 HA PRO 43 -16.334 18.179 6.999 294 HB2 PRO 43 1HB PRO 43 -17.333 19.515 4.857 295 HB3 PRO 43 2HB PRO 43 -16.757 20.331 6.316 296 HG2 PRO 43 1HG PRO 43 -15.360 19.916 3.701 297 HG3 PRO 43 2HG PRO 43 -15.423 21.367 4.718 298 HD2 PRO 43 1HD PRO 43 -13.296 19.692 4.700 299 HD3 PRO 43 2HD PRO 43 -13.794 20.587 6.150 300 H SER 44 H SER 44 -16.752 16.057 6.640 301 HA SER 44 HA SER 44 -16.752 15.079 3.870 302 HB2 SER 44 1HB SER 44 -16.690 12.835 4.811 303 HB3 SER 44 2HB SER 44 -15.405 13.808 5.528 304 HG SER 44 HG SER 44 -17.939 13.300 6.706 305 H SER 45 H SER 45 -18.813 16.070 6.370 306 HA SER 45 HA SER 45 -21.050 15.747 6.816 307 HB2 SER 45 1HB SER 45 -21.055 17.412 5.021 308 HB3 SER 45 2HB SER 45 -21.065 16.129 3.811 309 HG SER 45 HG SER 45 -23.081 15.476 5.098 310 H GLY 46 H GLY 46 -19.916 13.287 6.852 311 HA2 GLY 46 1HA GLY 46 -21.518 11.556 5.114 312 HA3 GLY 46 2HA GLY 46 -20.166 11.049 6.116
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