NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505221 | 2eoz | 10209 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -0.560 -9.888 -21.610 2 HA2 GLY 1 1HA GLY 1 -1.411 -9.239 -19.508 3 HA3 GLY 1 2HA GLY 1 -1.949 -10.891 -19.241 4 H SER 2 H SER 2 1.106 -9.120 -19.748 5 HA SER 2 HA SER 2 2.362 -10.897 -17.772 6 HB2 SER 2 1HB SER 2 3.370 -10.729 -20.078 7 HB3 SER 2 2HB SER 2 3.752 -9.046 -19.719 8 HG SER 2 HG SER 2 5.486 -10.529 -19.277 9 H SER 3 H SER 3 2.096 -7.485 -18.708 10 HA SER 3 HA SER 3 3.427 -6.573 -16.323 11 HB2 SER 3 1HB SER 3 3.587 -5.318 -18.446 12 HB3 SER 3 2HB SER 3 1.852 -5.005 -18.381 13 HG SER 3 HG SER 3 2.581 -4.164 -16.120 14 H GLY 4 H GLY 4 2.502 -5.455 -14.589 15 HA2 GLY 4 1HA GLY 4 -0.149 -6.344 -13.891 16 HA3 GLY 4 2HA GLY 4 0.933 -5.394 -12.884 17 H SER 5 H SER 5 -0.030 -3.566 -12.320 18 HA SER 5 HA SER 5 -1.814 -2.245 -14.239 19 HB2 SER 5 1HB SER 5 -2.696 -1.013 -12.316 20 HB3 SER 5 2HB SER 5 -2.745 -2.749 -12.006 21 HG SER 5 HG SER 5 -1.512 -2.415 -10.351 22 H SER 6 H SER 6 -0.754 -0.847 -15.492 23 HA SER 6 HA SER 6 1.677 0.385 -14.952 24 HB2 SER 6 1HB SER 6 -0.561 0.953 -16.858 25 HB3 SER 6 2HB SER 6 0.743 2.130 -16.696 26 HG SER 6 HG SER 6 2.193 0.618 -17.380 27 H GLY 7 H GLY 7 2.296 2.319 -14.075 28 HA2 GLY 7 1HA GLY 7 0.381 4.313 -13.278 29 HA3 GLY 7 2HA GLY 7 1.010 3.388 -11.922 30 H THR 8 H THR 8 1.533 5.893 -11.642 31 HA THR 8 HA THR 8 4.353 6.178 -12.428 32 HB THR 8 HB THR 8 2.374 8.462 -12.335 33 HG1 THR 8 HG1 THR 8 2.462 8.404 -14.567 34 HG21 THR 8 3HG2 THR 8 5.268 8.316 -12.384 35 HG22 THR 8 1HG2 THR 8 4.218 9.711 -12.139 36 HG23 THR 8 2HG2 THR 8 4.637 9.198 -13.774 37 H GLY 9 H GLY 9 5.716 7.067 -10.900 38 HA2 GLY 9 1HA GLY 9 6.467 7.509 -8.775 39 HA3 GLY 9 2HA GLY 9 5.021 8.497 -8.628 40 H GLU 10 H GLU 10 6.478 5.411 -7.944 41 HA GLU 10 HA GLU 10 4.181 4.152 -6.857 42 HB2 GLU 10 1HB GLU 10 6.193 2.918 -7.589 43 HB3 GLU 10 2HB GLU 10 7.097 3.628 -6.259 44 HG2 GLU 10 1HG GLU 10 5.483 2.550 -4.690 45 HG3 GLU 10 2HG GLU 10 4.786 1.715 -6.076 46 H LYS 11 H LYS 11 3.282 4.252 -4.887 47 HA LYS 11 HA LYS 11 3.720 6.377 -3.163 48 HB2 LYS 11 1HB LYS 11 2.283 3.779 -2.963 49 HB3 LYS 11 2HB LYS 11 2.575 4.658 -1.468 50 HG2 LYS 11 1HG LYS 11 0.424 5.275 -2.251 51 HG3 LYS 11 2HG LYS 11 1.496 6.650 -2.524 52 HD2 LYS 11 1HD LYS 11 0.455 6.576 -4.555 53 HD3 LYS 11 2HD LYS 11 1.800 5.479 -4.880 54 HE2 LYS 11 1HE LYS 11 -0.764 4.402 -3.787 55 HE3 LYS 11 2HE LYS 11 -0.643 4.792 -5.502 56 HZ1 LYS 11 3HZ LYS 11 0.334 2.843 -5.798 57 HZ2 LYS 11 1HZ LYS 11 0.331 2.527 -4.136 58 HZ3 LYS 11 2HZ LYS 11 1.632 3.348 -4.838 59 HA PRO 12 HA PRO 12 7.317 5.315 -0.858 60 HB2 PRO 12 1HB PRO 12 6.855 6.794 1.372 61 HB3 PRO 12 2HB PRO 12 7.341 7.507 -0.171 62 HG2 PRO 12 1HG PRO 12 4.612 7.294 1.042 63 HG3 PRO 12 2HG PRO 12 5.362 8.668 0.207 64 HD2 PRO 12 1HD PRO 12 3.591 7.017 -1.005 65 HD3 PRO 12 2HD PRO 12 4.920 7.801 -1.882 66 H TYR 13 H TYR 13 4.134 4.996 0.616 67 HA TYR 13 HA TYR 13 5.203 3.098 2.577 68 HB2 TYR 13 1HB TYR 13 2.424 4.278 2.390 69 HB3 TYR 13 2HB TYR 13 3.062 3.313 3.716 70 HD1 TYR 13 HD1 TYR 13 4.668 4.265 5.290 71 HD2 TYR 13 HD2 TYR 13 3.039 6.604 2.130 72 HE1 TYR 13 HE1 TYR 13 5.458 6.311 6.404 73 HE2 TYR 13 HE2 TYR 13 3.825 8.655 3.235 74 HH TYR 13 HH TYR 13 5.359 9.408 4.844 75 H SER 14 H SER 14 4.671 0.971 2.593 76 HA SER 14 HA SER 14 2.622 -0.025 0.775 77 HB2 SER 14 1HB SER 14 5.443 -1.112 0.671 78 HB3 SER 14 2HB SER 14 4.081 -1.583 -0.344 79 HG SER 14 HG SER 14 5.789 0.536 -0.585 80 H CYS 15 H CYS 15 1.739 -1.977 1.387 81 HA CYS 15 HA CYS 15 2.307 -2.791 4.113 82 HB2 CYS 15 1HB CYS 15 -0.007 -2.577 3.621 83 HB3 CYS 15 2HB CYS 15 0.146 -3.513 2.138 84 H ASN 16 H ASN 16 4.139 -3.992 4.196 85 HA ASN 16 HA ASN 16 4.674 -6.055 2.247 86 HB2 ASN 16 1HB ASN 16 6.726 -6.439 3.508 87 HB3 ASN 16 2HB ASN 16 6.506 -4.715 3.226 88 HD21 ASN 16 1HD2 ASN 16 6.249 -3.357 4.926 89 HD22 ASN 16 2HD2 ASN 16 6.352 -3.855 6.577 90 H VAL 17 H VAL 17 2.257 -6.551 3.473 91 HA VAL 17 HA VAL 17 2.875 -8.970 5.035 92 HB VAL 17 HB VAL 17 0.547 -7.102 5.507 93 HG11 VAL 17 1HG1 VAL 17 1.274 -9.763 6.704 94 HG12 VAL 17 2HG1 VAL 17 0.177 -8.629 7.493 95 HG13 VAL 17 3HG1 VAL 17 -0.230 -9.296 5.911 96 HG21 VAL 17 3HG2 VAL 17 1.713 -7.052 7.832 97 HG22 VAL 17 1HG2 VAL 17 3.138 -7.561 6.925 98 HG23 VAL 17 2HG2 VAL 17 2.334 -6.043 6.525 99 H CYS 18 H CYS 18 0.268 -7.346 3.221 100 HA CYS 18 HA CYS 18 -0.494 -9.980 2.144 101 HB2 CYS 18 1HB CYS 18 -2.753 -9.140 1.890 102 HB3 CYS 18 2HB CYS 18 -2.227 -8.893 3.552 103 H GLY 19 H GLY 19 -0.216 -6.527 1.359 104 HA2 GLY 19 1HA GLY 19 1.121 -6.261 -0.804 105 HA3 GLY 19 2HA GLY 19 -0.151 -7.256 -1.497 106 H LYS 20 H LYS 20 0.305 -4.249 0.349 107 HA LYS 20 HA LYS 20 -1.718 -2.994 -1.368 108 HB2 LYS 20 1HB LYS 20 -2.559 -3.709 0.982 109 HB3 LYS 20 2HB LYS 20 -1.599 -2.356 1.565 110 HG2 LYS 20 1HG LYS 20 -2.969 -0.790 0.613 111 HG3 LYS 20 2HG LYS 20 -3.527 -1.888 -0.652 112 HD2 LYS 20 1HD LYS 20 -4.606 -3.191 1.324 113 HD3 LYS 20 2HD LYS 20 -4.415 -1.670 2.199 114 HE2 LYS 20 1HE LYS 20 -6.601 -1.678 1.257 115 HE3 LYS 20 2HE LYS 20 -5.630 -0.543 0.320 116 HZ1 LYS 20 3HZ LYS 20 -5.324 -2.952 -0.950 117 HZ2 LYS 20 1HZ LYS 20 -6.291 -1.662 -1.462 118 HZ3 LYS 20 2HZ LYS 20 -6.965 -2.908 -0.538 119 H ALA 21 H ALA 21 -1.711 -0.507 -0.861 120 HA ALA 21 HA ALA 21 0.981 0.463 -0.273 121 HB1 ALA 21 3HB ALA 21 -0.400 0.722 -2.916 122 HB2 ALA 21 1HB ALA 21 0.752 1.945 -2.377 123 HB3 ALA 21 2HB ALA 21 1.268 0.268 -2.567 124 H PHE 22 H PHE 22 1.075 2.780 0.061 125 HA PHE 22 HA PHE 22 -1.426 4.224 0.281 126 HB2 PHE 22 1HB PHE 22 0.260 3.862 2.760 127 HB3 PHE 22 2HB PHE 22 -1.308 4.653 2.633 128 HD1 PHE 22 HD2 PHE 22 0.372 1.363 2.292 129 HD2 PHE 22 HD1 PHE 22 -3.272 3.453 2.975 130 HE1 PHE 22 HE2 PHE 22 -0.738 -0.761 2.847 131 HE2 PHE 22 HE1 PHE 22 -4.388 1.332 3.532 132 HZ PHE 22 HZ PHE 22 -3.121 -0.779 3.468 133 H VAL 23 H VAL 23 -1.164 6.457 0.407 134 HA VAL 23 HA VAL 23 1.357 7.434 -0.565 135 HB VAL 23 HB VAL 23 -1.134 8.960 0.208 136 HG11 VAL 23 1HG1 VAL 23 0.875 10.356 0.230 137 HG12 VAL 23 2HG1 VAL 23 1.257 9.832 -1.411 138 HG13 VAL 23 3HG1 VAL 23 -0.194 10.786 -1.105 139 HG21 VAL 23 3HG2 VAL 23 -0.264 7.582 -2.280 140 HG22 VAL 23 1HG2 VAL 23 -1.874 7.735 -1.575 141 HG23 VAL 23 2HG2 VAL 23 -1.153 9.098 -2.431 142 H LEU 24 H LEU 24 -0.510 7.745 2.424 143 HA LEU 24 HA LEU 24 1.764 9.147 3.653 144 HB2 LEU 24 1HB LEU 24 -1.038 8.899 4.725 145 HB3 LEU 24 2HB LEU 24 0.245 9.951 5.320 146 HG LEU 24 HG LEU 24 -1.110 10.222 2.638 147 HD11 LEU 24 1HD1 LEU 24 -1.937 11.030 5.263 148 HD12 LEU 24 2HD1 LEU 24 -2.765 11.224 3.719 149 HD13 LEU 24 3HD1 LEU 24 -1.616 12.446 4.261 150 HD21 LEU 24 3HD2 LEU 24 0.656 12.210 4.038 151 HD22 LEU 24 1HD2 LEU 24 0.104 12.219 2.363 152 HD23 LEU 24 2HD2 LEU 24 1.286 11.022 2.895 153 H SER 25 H SER 25 1.849 8.663 6.133 154 HA SER 25 HA SER 25 2.359 5.828 6.363 155 HB2 SER 25 1HB SER 25 3.925 7.574 7.255 156 HB3 SER 25 2HB SER 25 2.709 7.975 8.467 157 HG SER 25 HG SER 25 4.524 6.242 8.798 158 H ALA 26 H ALA 26 0.296 8.224 7.978 159 HA ALA 26 HA ALA 26 -0.881 6.639 9.902 160 HB1 ALA 26 3HB ALA 26 -2.497 8.638 8.362 161 HB2 ALA 26 1HB ALA 26 -2.546 8.254 10.083 162 HB3 ALA 26 2HB ALA 26 -1.179 9.148 9.417 163 H HIS 27 H HIS 27 -1.714 6.931 6.480 164 HA HIS 27 HA HIS 27 -4.072 5.402 6.538 165 HB2 HIS 27 1HB HIS 27 -2.084 5.869 4.309 166 HB3 HIS 27 2HB HIS 27 -3.645 5.085 4.087 167 HD2 HIS 27 HD2 HIS 27 -5.015 7.506 6.210 168 HE1 HIS 27 HE1 HIS 27 -4.230 9.858 2.767 169 HE2 HIS 27 HE2 HIS 27 -5.423 9.747 4.983 170 H LEU 28 H LEU 28 -0.696 4.482 5.978 171 HA LEU 28 HA LEU 28 -1.169 1.770 5.402 172 HB2 LEU 28 1HB LEU 28 0.937 2.719 4.849 173 HB3 LEU 28 2HB LEU 28 1.224 3.213 6.516 174 HG LEU 28 HG LEU 28 1.386 0.798 7.128 175 HD11 LEU 28 1HD1 LEU 28 2.019 -0.227 4.554 176 HD12 LEU 28 2HD1 LEU 28 0.397 0.461 4.498 177 HD13 LEU 28 3HD1 LEU 28 0.788 -0.777 5.691 178 HD21 LEU 28 3HD2 LEU 28 3.258 2.313 5.443 179 HD22 LEU 28 1HD2 LEU 28 3.567 0.579 5.538 180 HD23 LEU 28 2HD2 LEU 28 3.503 1.545 7.012 181 H ASN 29 H ASN 29 -0.353 3.399 8.453 182 HA ASN 29 HA ASN 29 -0.174 1.191 10.109 183 HB2 ASN 29 1HB ASN 29 -0.878 4.055 10.516 184 HB3 ASN 29 2HB ASN 29 -1.229 2.939 11.832 185 HD21 ASN 29 1HD2 ASN 29 0.738 5.142 11.541 186 HD22 ASN 29 2HD2 ASN 29 2.266 4.433 11.926 187 H GLN 30 H GLN 30 -3.072 3.141 9.409 188 HA GLN 30 HA GLN 30 -4.920 1.803 10.940 189 HB2 GLN 30 1HB GLN 30 -5.185 3.130 8.250 190 HB3 GLN 30 2HB GLN 30 -6.572 2.450 9.090 191 HG2 GLN 30 1HG GLN 30 -4.758 4.539 10.266 192 HG3 GLN 30 2HG GLN 30 -6.252 4.898 9.403 193 HE21 GLN 30 1HE2 GLN 30 -8.038 5.037 10.560 194 HE22 GLN 30 2HE2 GLN 30 -8.259 4.426 12.161 195 H HIS 31 H HIS 31 -3.655 0.911 7.772 196 HA HIS 31 HA HIS 31 -5.425 -1.301 7.405 197 HB2 HIS 31 1HB HIS 31 -4.385 -0.195 5.491 198 HB3 HIS 31 2HB HIS 31 -2.787 -0.651 6.073 199 HD1 HIS 31 HD1 HIS 31 -5.992 -2.377 4.965 200 HD2 HIS 31 HD2 HIS 31 -1.880 -2.965 5.004 201 HE1 HIS 31 HE1 HIS 31 -5.609 -4.525 3.715 202 H LEU 32 H LEU 32 -1.920 -1.159 8.066 203 HA LEU 32 HA LEU 32 -1.265 -3.734 8.414 204 HB2 LEU 32 1HB LEU 32 -0.540 -1.463 10.257 205 HB3 LEU 32 2HB LEU 32 0.264 -3.031 10.251 206 HG LEU 32 HG LEU 32 0.196 -1.172 7.878 207 HD11 LEU 32 1HD1 LEU 32 2.278 -1.504 10.029 208 HD12 LEU 32 2HD1 LEU 32 1.381 -0.042 9.622 209 HD13 LEU 32 3HD1 LEU 32 2.561 -0.696 8.487 210 HD21 LEU 32 3HD2 LEU 32 0.944 -2.978 6.816 211 HD22 LEU 32 1HD2 LEU 32 1.095 -3.886 8.321 212 HD23 LEU 32 2HD2 LEU 32 2.413 -2.844 7.784 213 H ARG 33 H ARG 33 -3.381 -1.904 10.488 214 HA ARG 33 HA ARG 33 -3.418 -3.378 12.805 215 HB2 ARG 33 1HB ARG 33 -5.692 -2.055 11.327 216 HB3 ARG 33 2HB ARG 33 -5.868 -2.745 12.934 217 HG2 ARG 33 1HG ARG 33 -4.026 -1.220 13.688 218 HG3 ARG 33 2HG ARG 33 -4.129 -0.437 12.109 219 HD2 ARG 33 1HD ARG 33 -5.479 0.877 13.493 220 HD3 ARG 33 2HD ARG 33 -6.618 -0.147 12.620 221 HE ARG 33 HE ARG 33 -6.227 -1.570 14.843 222 HH11 ARG 33 1HH1 ARG 33 -6.871 1.819 14.379 223 HH12 ARG 33 2HH1 ARG 33 -7.702 2.001 15.888 224 HH21 ARG 33 1HH2 ARG 33 -7.319 -1.343 16.832 225 HH22 ARG 33 2HH2 ARG 33 -7.956 0.202 17.283 226 H VAL 34 H VAL 34 -5.431 -3.961 9.920 227 HA VAL 34 HA VAL 34 -6.815 -6.181 10.715 228 HB VAL 34 HB VAL 34 -7.004 -6.833 8.399 229 HG11 VAL 34 1HG1 VAL 34 -8.289 -5.074 7.922 230 HG12 VAL 34 2HG1 VAL 34 -7.661 -4.343 9.400 231 HG13 VAL 34 3HG1 VAL 34 -6.905 -3.985 7.847 232 HG21 VAL 34 3HG2 VAL 34 -5.459 -6.472 6.806 233 HG22 VAL 34 1HG2 VAL 34 -5.159 -4.816 7.333 234 HG23 VAL 34 2HG2 VAL 34 -4.378 -6.161 8.165 235 H HIS 35 H HIS 35 -3.434 -5.917 10.191 236 HA HIS 35 HA HIS 35 -3.100 -8.826 10.083 237 HB2 HIS 35 1HB HIS 35 -0.990 -6.675 9.820 238 HB3 HIS 35 2HB HIS 35 -0.793 -8.392 9.479 239 HD1 HIS 35 HD1 HIS 35 -3.189 -8.947 7.709 240 HD2 HIS 35 HD2 HIS 35 -0.850 -5.530 7.370 241 HE1 HIS 35 HE1 HIS 35 -3.534 -8.127 5.357 242 H THR 36 H THR 36 -1.843 -6.024 11.890 243 HA THR 36 HA THR 36 -0.670 -7.675 13.922 244 HB THR 36 HB THR 36 0.330 -5.514 13.398 245 HG1 THR 36 HG1 THR 36 0.722 -4.989 15.491 246 HG21 THR 36 3HG2 THR 36 -2.337 -4.437 14.288 247 HG22 THR 36 1HG2 THR 36 -1.505 -4.164 12.758 248 HG23 THR 36 2HG2 THR 36 -0.882 -3.443 14.242 249 H GLN 37 H GLN 37 -3.255 -8.466 13.763 250 HA GLN 37 HA GLN 37 -4.395 -7.443 16.276 251 HB2 GLN 37 1HB GLN 37 -5.640 -6.724 14.176 252 HB3 GLN 37 2HB GLN 37 -6.062 -8.418 13.961 253 HG2 GLN 37 1HG GLN 37 -7.206 -8.425 16.104 254 HG3 GLN 37 2HG GLN 37 -6.750 -6.742 16.365 255 HE21 GLN 37 1HE2 GLN 37 -8.311 -5.365 15.973 256 HE22 GLN 37 2HE2 GLN 37 -9.571 -5.547 14.805 257 H GLU 38 H GLU 38 -5.153 -8.943 17.703 258 HA GLU 38 HA GLU 38 -4.206 -11.605 17.454 259 HB2 GLU 38 1HB GLU 38 -5.963 -10.200 19.450 260 HB3 GLU 38 2HB GLU 38 -5.667 -11.930 19.559 261 HG2 GLU 38 1HG GLU 38 -3.432 -9.935 19.433 262 HG3 GLU 38 2HG GLU 38 -4.194 -10.405 20.951 263 H THR 39 H THR 39 -5.077 -13.135 16.239 264 HA THR 39 HA THR 39 -7.859 -13.789 16.416 265 HB THR 39 HB THR 39 -8.008 -11.967 14.777 266 HG1 THR 39 HG1 THR 39 -9.537 -13.313 14.162 267 HG21 THR 39 3HG2 THR 39 -6.788 -11.845 12.827 268 HG22 THR 39 1HG2 THR 39 -6.478 -13.580 12.785 269 HG23 THR 39 2HG2 THR 39 -5.595 -12.553 13.915 270 H LEU 40 H LEU 40 -8.387 -15.773 15.306 271 HA LEU 40 HA LEU 40 -6.022 -17.463 14.944 272 HB2 LEU 40 1HB LEU 40 -8.102 -17.922 16.502 273 HB3 LEU 40 2HB LEU 40 -8.790 -18.556 15.008 274 HG LEU 40 HG LEU 40 -7.818 -20.319 16.408 275 HD11 LEU 40 1HD1 LEU 40 -6.327 -19.818 13.836 276 HD12 LEU 40 2HD1 LEU 40 -7.884 -20.629 14.002 277 HD13 LEU 40 3HD1 LEU 40 -6.431 -21.364 14.679 278 HD21 LEU 40 3HD2 LEU 40 -5.856 -20.106 17.426 279 HD22 LEU 40 1HD2 LEU 40 -5.776 -18.451 16.820 280 HD23 LEU 40 2HD2 LEU 40 -5.042 -19.764 15.899 281 H SER 41 H SER 41 -6.212 -15.929 12.813 282 HA SER 41 HA SER 41 -7.688 -17.450 10.775 283 HB2 SER 41 1HB SER 41 -8.276 -15.127 10.721 284 HB3 SER 41 2HB SER 41 -6.583 -14.636 10.766 285 HG SER 41 HG SER 41 -7.975 -14.897 8.641 286 H GLY 42 H GLY 42 -4.546 -15.841 11.281 287 HA2 GLY 42 1HA GLY 42 -3.170 -18.064 10.051 288 HA3 GLY 42 2HA GLY 42 -3.143 -16.593 9.090 289 HA PRO 43 HA PRO 43 0.559 -16.457 11.826 290 HB2 PRO 43 1HB PRO 43 2.192 -15.413 9.925 291 HB3 PRO 43 2HB PRO 43 1.896 -17.147 10.090 292 HG2 PRO 43 1HG PRO 43 0.667 -15.188 8.190 293 HG3 PRO 43 2HG PRO 43 1.249 -16.834 7.879 294 HD2 PRO 43 1HD PRO 43 -1.375 -16.256 8.217 295 HD3 PRO 43 2HD PRO 43 -0.665 -17.805 8.718 296 H SER 44 H SER 44 0.778 -14.772 13.146 297 HA SER 44 HA SER 44 -0.180 -12.154 12.319 298 HB2 SER 44 1HB SER 44 -0.030 -11.550 14.661 299 HB3 SER 44 2HB SER 44 -0.815 -13.124 14.531 300 HG SER 44 HG SER 44 1.960 -12.813 15.003 301 H SER 45 H SER 45 1.154 -10.241 13.224 302 HA SER 45 HA SER 45 3.820 -10.486 12.080 303 HB2 SER 45 1HB SER 45 3.750 -7.911 12.614 304 HB3 SER 45 2HB SER 45 2.833 -8.558 11.254 305 HG SER 45 HG SER 45 1.773 -8.136 13.853 306 H GLY 46 H GLY 46 2.301 -10.329 15.155 307 HA2 GLY 46 1HA GLY 46 4.408 -11.068 16.696 308 HA3 GLY 46 2HA GLY 46 4.603 -9.325 16.577 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -12.710 -13.184 -12.687 2 HA2 GLY 1 1HA GLY 1 -12.219 -15.711 -11.568 3 HA3 GLY 1 2HA GLY 1 -11.489 -15.670 -13.166 4 H SER 2 H SER 2 -11.696 -13.632 -10.247 5 HA SER 2 HA SER 2 -10.159 -12.281 -9.240 6 HB2 SER 2 1HB SER 2 -8.384 -14.580 -10.090 7 HB3 SER 2 2HB SER 2 -7.887 -13.311 -8.972 8 HG SER 2 HG SER 2 -8.650 -14.891 -7.684 9 H SER 3 H SER 3 -10.744 -11.481 -11.831 10 HA SER 3 HA SER 3 -8.665 -11.101 -13.599 11 HB2 SER 3 1HB SER 3 -9.900 -9.206 -14.468 12 HB3 SER 3 2HB SER 3 -11.047 -10.459 -13.997 13 HG SER 3 HG SER 3 -11.796 -9.209 -12.461 14 H GLY 4 H GLY 4 -7.640 -8.888 -14.085 15 HA2 GLY 4 1HA GLY 4 -6.698 -7.661 -11.569 16 HA3 GLY 4 2HA GLY 4 -5.571 -8.127 -12.835 17 H SER 5 H SER 5 -8.538 -6.193 -12.429 18 HA SER 5 HA SER 5 -7.596 -4.370 -14.510 19 HB2 SER 5 1HB SER 5 -10.248 -4.773 -13.142 20 HB3 SER 5 2HB SER 5 -9.922 -3.324 -14.092 21 HG SER 5 HG SER 5 -9.231 -4.991 -15.755 22 H SER 6 H SER 6 -5.948 -3.280 -13.432 23 HA SER 6 HA SER 6 -6.771 -1.032 -11.892 24 HB2 SER 6 1HB SER 6 -6.824 -2.518 -10.023 25 HB3 SER 6 2HB SER 6 -5.296 -3.264 -10.488 26 HG SER 6 HG SER 6 -5.025 -1.758 -8.791 27 H GLY 7 H GLY 7 -5.327 0.599 -12.086 28 HA2 GLY 7 1HA GLY 7 -3.128 0.263 -13.868 29 HA3 GLY 7 2HA GLY 7 -3.550 1.736 -13.007 30 H THR 8 H THR 8 -1.109 1.798 -12.974 31 HA THR 8 HA THR 8 -0.198 0.600 -10.454 32 HB THR 8 HB THR 8 0.756 -0.815 -12.173 33 HG1 THR 8 HG1 THR 8 2.787 -0.700 -11.400 34 HG21 THR 8 3HG2 THR 8 0.658 0.612 -14.098 35 HG22 THR 8 1HG2 THR 8 2.345 0.170 -13.838 36 HG23 THR 8 2HG2 THR 8 1.768 1.767 -13.362 37 H GLY 9 H GLY 9 1.323 1.812 -9.303 38 HA2 GLY 9 1HA GLY 9 2.247 4.336 -10.428 39 HA3 GLY 9 2HA GLY 9 1.143 4.455 -9.066 40 H GLU 10 H GLU 10 2.715 5.459 -7.777 41 HA GLU 10 HA GLU 10 4.610 3.577 -6.591 42 HB2 GLU 10 1HB GLU 10 5.333 6.279 -7.720 43 HB3 GLU 10 2HB GLU 10 6.332 5.447 -6.536 44 HG2 GLU 10 1HG GLU 10 5.547 3.997 -9.009 45 HG3 GLU 10 2HG GLU 10 6.798 5.235 -9.107 46 H LYS 11 H LYS 11 4.805 3.776 -4.425 47 HA LYS 11 HA LYS 11 3.827 6.202 -3.116 48 HB2 LYS 11 1HB LYS 11 2.645 3.474 -2.883 49 HB3 LYS 11 2HB LYS 11 2.728 4.465 -1.432 50 HG2 LYS 11 1HG LYS 11 0.668 5.056 -2.192 51 HG3 LYS 11 2HG LYS 11 1.647 6.272 -3.014 52 HD2 LYS 11 1HD LYS 11 1.567 5.093 -5.060 53 HD3 LYS 11 2HD LYS 11 0.949 3.634 -4.282 54 HE2 LYS 11 1HE LYS 11 -1.126 4.859 -3.727 55 HE3 LYS 11 2HE LYS 11 -0.506 6.258 -4.602 56 HZ1 LYS 11 3HZ LYS 11 -1.077 5.363 -6.543 57 HZ2 LYS 11 1HZ LYS 11 -1.994 4.246 -5.664 58 HZ3 LYS 11 2HZ LYS 11 -0.424 3.852 -6.154 59 HA PRO 12 HA PRO 12 7.356 5.554 -0.566 60 HB2 PRO 12 1HB PRO 12 6.622 7.049 1.578 61 HB3 PRO 12 2HB PRO 12 7.135 7.759 0.042 62 HG2 PRO 12 1HG PRO 12 4.367 7.326 1.097 63 HG3 PRO 12 2HG PRO 12 5.037 8.738 0.260 64 HD2 PRO 12 1HD PRO 12 3.506 6.891 -0.995 65 HD3 PRO 12 2HD PRO 12 4.809 7.771 -1.819 66 H TYR 13 H TYR 13 4.131 4.894 0.638 67 HA TYR 13 HA TYR 13 5.268 3.123 2.696 68 HB2 TYR 13 1HB TYR 13 2.445 4.191 2.511 69 HB3 TYR 13 2HB TYR 13 3.136 3.275 3.846 70 HD1 TYR 13 HD1 TYR 13 4.893 4.322 5.274 71 HD2 TYR 13 HD2 TYR 13 2.764 6.540 2.332 72 HE1 TYR 13 HE1 TYR 13 5.597 6.417 6.353 73 HE2 TYR 13 HE2 TYR 13 3.464 8.641 3.402 74 HH TYR 13 HH TYR 13 5.908 8.800 5.720 75 H SER 14 H SER 14 4.889 0.980 2.646 76 HA SER 14 HA SER 14 2.838 -0.091 0.867 77 HB2 SER 14 1HB SER 14 5.732 -0.968 0.700 78 HB3 SER 14 2HB SER 14 4.386 -1.624 -0.233 79 HG SER 14 HG SER 14 4.864 -0.123 -1.616 80 H CYS 15 H CYS 15 2.082 -2.115 1.448 81 HA CYS 15 HA CYS 15 2.781 -2.944 4.154 82 HB2 CYS 15 1HB CYS 15 0.442 -2.736 3.832 83 HB3 CYS 15 2HB CYS 15 0.496 -3.608 2.304 84 H ASN 16 H ASN 16 4.295 -4.434 4.426 85 HA ASN 16 HA ASN 16 4.914 -6.300 2.276 86 HB2 ASN 16 1HB ASN 16 6.940 -6.768 3.446 87 HB3 ASN 16 2HB ASN 16 6.700 -5.025 3.538 88 HD21 ASN 16 1HD2 ASN 16 8.147 -7.007 5.254 89 HD22 ASN 16 2HD2 ASN 16 7.559 -6.710 6.851 90 H VAL 17 H VAL 17 2.428 -6.744 3.455 91 HA VAL 17 HA VAL 17 2.903 -9.320 4.801 92 HB VAL 17 HB VAL 17 0.685 -7.365 5.424 93 HG11 VAL 17 1HG1 VAL 17 0.464 -10.058 5.518 94 HG12 VAL 17 2HG1 VAL 17 1.096 -9.724 7.132 95 HG13 VAL 17 3HG1 VAL 17 -0.397 -8.956 6.592 96 HG21 VAL 17 3HG2 VAL 17 3.311 -7.525 6.409 97 HG22 VAL 17 1HG2 VAL 17 1.978 -6.558 7.040 98 HG23 VAL 17 2HG2 VAL 17 2.268 -8.179 7.672 99 H CYS 18 H CYS 18 0.326 -7.432 3.207 100 HA CYS 18 HA CYS 18 -0.582 -9.917 1.920 101 HB2 CYS 18 1HB CYS 18 -2.751 -8.912 1.702 102 HB3 CYS 18 2HB CYS 18 -2.219 -8.682 3.364 103 H GLY 19 H GLY 19 0.092 -6.489 1.313 104 HA2 GLY 19 1HA GLY 19 1.459 -6.144 -0.764 105 HA3 GLY 19 2HA GLY 19 0.245 -7.129 -1.568 106 H LYS 20 H LYS 20 0.483 -4.192 0.435 107 HA LYS 20 HA LYS 20 -1.441 -2.918 -1.390 108 HB2 LYS 20 1HB LYS 20 -2.328 -3.639 0.950 109 HB3 LYS 20 2HB LYS 20 -1.404 -2.264 1.540 110 HG2 LYS 20 1HG LYS 20 -2.755 -0.728 0.476 111 HG3 LYS 20 2HG LYS 20 -3.330 -1.901 -0.712 112 HD2 LYS 20 1HD LYS 20 -3.980 -2.121 2.217 113 HD3 LYS 20 2HD LYS 20 -4.977 -1.192 1.094 114 HE2 LYS 20 1HE LYS 20 -4.257 -4.030 0.480 115 HE3 LYS 20 2HE LYS 20 -5.572 -3.672 1.599 116 HZ1 LYS 20 3HZ LYS 20 -6.893 -3.298 -0.119 117 HZ2 LYS 20 1HZ LYS 20 -5.638 -3.669 -1.191 118 HZ3 LYS 20 2HZ LYS 20 -5.874 -2.072 -0.685 119 H ALA 21 H ALA 21 -1.440 -0.448 -0.984 120 HA ALA 21 HA ALA 21 1.187 0.570 -0.225 121 HB1 ALA 21 3HB ALA 21 0.078 0.621 -2.995 122 HB2 ALA 21 1HB ALA 21 1.083 1.958 -2.434 123 HB3 ALA 21 2HB ALA 21 1.727 0.316 -2.448 124 H PHE 22 H PHE 22 1.211 2.765 0.307 125 HA PHE 22 HA PHE 22 -1.308 4.238 0.137 126 HB2 PHE 22 1HB PHE 22 0.187 4.038 2.750 127 HB3 PHE 22 2HB PHE 22 -1.400 4.744 2.463 128 HD1 PHE 22 HD2 PHE 22 0.464 1.548 2.510 129 HD2 PHE 22 HD1 PHE 22 -3.342 3.448 2.617 130 HE1 PHE 22 HE2 PHE 22 -0.589 -0.602 3.080 131 HE2 PHE 22 HE1 PHE 22 -4.402 1.302 3.188 132 HZ PHE 22 HZ PHE 22 -3.025 -0.727 3.419 133 H VAL 23 H VAL 23 -1.082 6.519 0.437 134 HA VAL 23 HA VAL 23 1.481 7.496 -0.481 135 HB VAL 23 HB VAL 23 -1.082 8.990 0.092 136 HG11 VAL 23 1HG1 VAL 23 1.338 10.127 0.030 137 HG12 VAL 23 2HG1 VAL 23 0.990 10.103 -1.700 138 HG13 VAL 23 3HG1 VAL 23 -0.110 10.920 -0.590 139 HG21 VAL 23 3HG2 VAL 23 -0.240 8.803 -2.675 140 HG22 VAL 23 1HG2 VAL 23 -0.518 7.216 -1.960 141 HG23 VAL 23 2HG2 VAL 23 -1.799 8.427 -1.943 142 H LEU 24 H LEU 24 -0.546 7.770 2.395 143 HA LEU 24 HA LEU 24 1.573 9.316 3.719 144 HB2 LEU 24 1HB LEU 24 -1.230 8.827 4.700 145 HB3 LEU 24 2HB LEU 24 -0.062 9.989 5.327 146 HG LEU 24 HG LEU 24 -1.313 10.143 2.587 147 HD11 LEU 24 1HD1 LEU 24 -2.752 10.450 4.786 148 HD12 LEU 24 2HD1 LEU 24 -2.957 11.500 3.384 149 HD13 LEU 24 3HD1 LEU 24 -1.997 12.044 4.760 150 HD21 LEU 24 3HD2 LEU 24 0.959 11.212 3.036 151 HD22 LEU 24 1HD2 LEU 24 0.096 12.314 4.110 152 HD23 LEU 24 2HD2 LEU 24 -0.312 12.255 2.395 153 H SER 25 H SER 25 1.795 8.815 6.120 154 HA SER 25 HA SER 25 2.455 6.029 6.375 155 HB2 SER 25 1HB SER 25 4.005 7.544 7.353 156 HB3 SER 25 2HB SER 25 2.731 8.402 8.221 157 HG SER 25 HG SER 25 4.189 6.470 9.149 158 H ALA 26 H ALA 26 0.185 8.247 7.966 159 HA ALA 26 HA ALA 26 -0.900 6.560 9.858 160 HB1 ALA 26 3HB ALA 26 -3.032 7.930 9.486 161 HB2 ALA 26 1HB ALA 26 -1.569 8.794 9.959 162 HB3 ALA 26 2HB ALA 26 -2.098 8.809 8.276 163 H HIS 27 H HIS 27 -1.916 6.965 6.473 164 HA HIS 27 HA HIS 27 -4.081 5.237 6.457 165 HB2 HIS 27 1HB HIS 27 -2.087 5.952 4.313 166 HB3 HIS 27 2HB HIS 27 -3.457 4.893 3.996 167 HD2 HIS 27 HD2 HIS 27 -5.392 6.990 6.016 168 HE1 HIS 27 HE1 HIS 27 -4.833 9.491 2.635 169 HE2 HIS 27 HE2 HIS 27 -6.129 9.130 4.765 170 H LEU 28 H LEU 28 -0.657 4.496 5.871 171 HA LEU 28 HA LEU 28 -0.993 1.758 5.340 172 HB2 LEU 28 1HB LEU 28 1.051 2.788 4.736 173 HB3 LEU 28 2HB LEU 28 1.331 3.354 6.382 174 HG LEU 28 HG LEU 28 1.602 0.943 7.052 175 HD11 LEU 28 1HD1 LEU 28 1.250 0.628 4.110 176 HD12 LEU 28 2HD1 LEU 28 0.646 -0.370 5.432 177 HD13 LEU 28 3HD1 LEU 28 2.345 -0.455 4.969 178 HD21 LEU 28 3HD2 LEU 28 3.771 1.081 5.223 179 HD22 LEU 28 1HD2 LEU 28 3.754 1.462 6.945 180 HD23 LEU 28 2HD2 LEU 28 3.396 2.719 5.761 181 H ASN 29 H ASN 29 -0.195 3.456 8.360 182 HA ASN 29 HA ASN 29 0.104 1.264 10.026 183 HB2 ASN 29 1HB ASN 29 -0.766 4.094 10.470 184 HB3 ASN 29 2HB ASN 29 -0.879 2.944 11.800 185 HD21 ASN 29 1HD2 ASN 29 1.139 4.989 10.018 186 HD22 ASN 29 2HD2 ASN 29 2.639 4.557 10.759 187 H GLN 30 H GLN 30 -2.869 3.157 9.478 188 HA GLN 30 HA GLN 30 -4.616 1.719 11.036 189 HB2 GLN 30 1HB GLN 30 -5.127 3.014 8.355 190 HB3 GLN 30 2HB GLN 30 -6.393 2.453 9.440 191 HG2 GLN 30 1HG GLN 30 -5.580 4.018 11.156 192 HG3 GLN 30 2HG GLN 30 -4.374 4.610 10.014 193 HE21 GLN 30 1HE2 GLN 30 -4.912 6.412 9.036 194 HE22 GLN 30 2HE2 GLN 30 -6.515 6.939 8.667 195 H HIS 31 H HIS 31 -3.520 0.997 7.757 196 HA HIS 31 HA HIS 31 -5.244 -1.137 7.208 197 HB2 HIS 31 1HB HIS 31 -3.900 -0.128 5.461 198 HB3 HIS 31 2HB HIS 31 -2.415 -0.637 6.261 199 HD1 HIS 31 HD1 HIS 31 -5.511 -2.311 4.802 200 HD2 HIS 31 HD2 HIS 31 -1.427 -2.931 5.240 201 HE1 HIS 31 HE1 HIS 31 -5.025 -4.463 3.595 202 H LEU 32 H LEU 32 -2.020 -1.119 8.696 203 HA LEU 32 HA LEU 32 -1.608 -3.833 8.968 204 HB2 LEU 32 1HB LEU 32 -0.879 -1.653 10.918 205 HB3 LEU 32 2HB LEU 32 -0.196 -3.277 10.906 206 HG LEU 32 HG LEU 32 0.067 -1.419 8.557 207 HD11 LEU 32 1HD1 LEU 32 1.725 -0.260 9.499 208 HD12 LEU 32 2HD1 LEU 32 2.410 -1.691 10.269 209 HD13 LEU 32 3HD1 LEU 32 1.077 -0.829 11.037 210 HD21 LEU 32 3HD2 LEU 32 0.541 -4.046 8.689 211 HD22 LEU 32 1HD2 LEU 32 2.088 -3.450 9.291 212 HD23 LEU 32 2HD2 LEU 32 1.507 -2.946 7.704 213 H ARG 33 H ARG 33 -3.825 -1.785 10.663 214 HA ARG 33 HA ARG 33 -4.267 -3.177 13.010 215 HB2 ARG 33 1HB ARG 33 -6.353 -1.819 11.293 216 HB3 ARG 33 2HB ARG 33 -6.515 -2.207 13.000 217 HG2 ARG 33 1HG ARG 33 -4.436 -0.343 11.878 218 HG3 ARG 33 2HG ARG 33 -5.986 0.171 12.545 219 HD2 ARG 33 1HD ARG 33 -5.170 -1.298 14.592 220 HD3 ARG 33 2HD ARG 33 -3.586 -0.919 13.917 221 HE ARG 33 HE ARG 33 -3.850 1.265 14.586 222 HH11 ARG 33 1HH1 ARG 33 -6.882 -0.424 14.866 223 HH12 ARG 33 2HH1 ARG 33 -7.663 0.854 15.737 224 HH21 ARG 33 1HH2 ARG 33 -4.867 2.954 15.733 225 HH22 ARG 33 2HH2 ARG 33 -6.516 2.775 16.229 226 H VAL 34 H VAL 34 -5.086 -4.042 9.762 227 HA VAL 34 HA VAL 34 -7.022 -6.049 10.510 228 HB VAL 34 HB VAL 34 -7.123 -6.616 8.170 229 HG11 VAL 34 1HG1 VAL 34 -7.457 -4.245 7.206 230 HG12 VAL 34 2HG1 VAL 34 -8.447 -4.748 8.578 231 HG13 VAL 34 3HG1 VAL 34 -7.054 -3.695 8.832 232 HG21 VAL 34 3HG2 VAL 34 -5.431 -4.830 6.866 233 HG22 VAL 34 1HG2 VAL 34 -4.447 -5.529 8.152 234 HG23 VAL 34 2HG2 VAL 34 -5.241 -6.580 6.979 235 H HIS 35 H HIS 35 -3.603 -5.873 9.979 236 HA HIS 35 HA HIS 35 -3.332 -8.771 9.816 237 HB2 HIS 35 1HB HIS 35 -1.206 -6.619 9.781 238 HB3 HIS 35 2HB HIS 35 -0.949 -8.330 9.454 239 HD1 HIS 35 HD1 HIS 35 -3.443 -8.711 7.577 240 HD2 HIS 35 HD2 HIS 35 -0.623 -5.676 7.267 241 HE1 HIS 35 HE1 HIS 35 -3.543 -7.942 5.185 242 H THR 36 H THR 36 -1.963 -6.156 11.822 243 HA THR 36 HA THR 36 -0.630 -7.436 13.741 244 HB THR 36 HB THR 36 -1.112 -4.998 13.771 245 HG1 THR 36 HG1 THR 36 -1.275 -6.630 16.049 246 HG21 THR 36 3HG2 THR 36 -3.684 -5.784 15.141 247 HG22 THR 36 1HG2 THR 36 -3.579 -5.220 13.474 248 HG23 THR 36 2HG2 THR 36 -3.117 -4.150 14.798 249 H GLN 37 H GLN 37 -4.144 -7.420 13.455 250 HA GLN 37 HA GLN 37 -4.685 -8.739 15.898 251 HB2 GLN 37 1HB GLN 37 -6.386 -7.480 14.633 252 HB3 GLN 37 2HB GLN 37 -6.325 -8.689 13.358 253 HG2 GLN 37 1HG GLN 37 -8.257 -8.989 14.818 254 HG3 GLN 37 2HG GLN 37 -7.170 -10.375 14.869 255 HE21 GLN 37 1HE2 GLN 37 -8.439 -7.656 16.612 256 HE22 GLN 37 2HE2 GLN 37 -7.870 -8.130 18.173 257 H GLU 38 H GLU 38 -4.232 -10.754 16.456 258 HA GLU 38 HA GLU 38 -2.931 -12.660 15.081 259 HB2 GLU 38 1HB GLU 38 -5.195 -13.204 17.010 260 HB3 GLU 38 2HB GLU 38 -3.943 -14.351 16.554 261 HG2 GLU 38 1HG GLU 38 -3.523 -11.757 18.021 262 HG3 GLU 38 2HG GLU 38 -3.482 -13.373 18.723 263 H THR 39 H THR 39 -3.273 -14.041 13.451 264 HA THR 39 HA THR 39 -6.020 -14.276 12.406 265 HB THR 39 HB THR 39 -5.038 -14.585 10.164 266 HG1 THR 39 HG1 THR 39 -2.736 -13.892 10.030 267 HG21 THR 39 3HG2 THR 39 -4.813 -12.337 9.723 268 HG22 THR 39 1HG2 THR 39 -3.850 -12.039 11.169 269 HG23 THR 39 2HG2 THR 39 -5.592 -12.280 11.304 270 H LEU 40 H LEU 40 -2.878 -15.933 12.604 271 HA LEU 40 HA LEU 40 -4.338 -18.493 12.607 272 HB2 LEU 40 1HB LEU 40 -3.224 -18.537 10.574 273 HB3 LEU 40 2HB LEU 40 -1.817 -17.692 11.215 274 HG LEU 40 HG LEU 40 -1.365 -19.822 12.553 275 HD11 LEU 40 1HD1 LEU 40 -3.790 -20.568 11.222 276 HD12 LEU 40 2HD1 LEU 40 -2.869 -21.445 12.443 277 HD13 LEU 40 3HD1 LEU 40 -2.479 -21.643 10.734 278 HD21 LEU 40 3HD2 LEU 40 -1.121 -20.484 9.684 279 HD22 LEU 40 1HD2 LEU 40 0.103 -20.454 10.953 280 HD23 LEU 40 2HD2 LEU 40 -0.424 -18.948 10.202 281 H SER 41 H SER 41 -3.684 -20.052 14.058 282 HA SER 41 HA SER 41 -2.190 -19.077 16.335 283 HB2 SER 41 1HB SER 41 -2.857 -21.210 17.391 284 HB3 SER 41 2HB SER 41 -4.243 -20.358 16.709 285 HG SER 41 HG SER 41 -2.862 -22.573 15.598 286 H GLY 42 H GLY 42 -0.080 -19.342 16.597 287 HA2 GLY 42 1HA GLY 42 1.399 -21.621 16.439 288 HA3 GLY 42 2HA GLY 42 1.432 -21.003 14.794 289 HA PRO 43 HA PRO 43 3.705 -17.847 17.723 290 HB2 PRO 43 1HB PRO 43 4.666 -18.950 20.010 291 HB3 PRO 43 2HB PRO 43 3.078 -18.180 19.908 292 HG2 PRO 43 1HG PRO 43 3.784 -21.087 19.805 293 HG3 PRO 43 2HG PRO 43 2.459 -20.287 20.671 294 HD2 PRO 43 1HD PRO 43 2.095 -21.569 18.314 295 HD3 PRO 43 2HD PRO 43 1.143 -20.146 18.783 296 H SER 44 H SER 44 5.926 -17.471 17.682 297 HA SER 44 HA SER 44 7.517 -19.696 16.620 298 HB2 SER 44 1HB SER 44 9.047 -17.924 15.790 299 HB3 SER 44 2HB SER 44 7.406 -17.740 15.172 300 HG SER 44 HG SER 44 8.845 -15.978 16.523 301 H SER 45 H SER 45 9.801 -19.816 17.253 302 HA SER 45 HA SER 45 10.050 -19.581 20.126 303 HB2 SER 45 1HB SER 45 11.947 -20.708 18.052 304 HB3 SER 45 2HB SER 45 12.183 -20.804 19.797 305 HG SER 45 HG SER 45 10.738 -22.342 19.913 306 H GLY 46 H GLY 46 10.954 -17.923 21.143 307 HA2 GLY 46 1HA GLY 46 13.086 -16.415 19.799 308 HA3 GLY 46 2HA GLY 46 11.686 -15.540 20.399 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -16.587 1.802 -9.431 2 HA2 GLY 1 1HA GLY 1 -15.935 -0.018 -7.673 3 HA3 GLY 1 2HA GLY 1 -16.379 -1.091 -8.992 4 H SER 2 H SER 2 -15.253 -0.565 -11.124 5 HA SER 2 HA SER 2 -12.436 -0.648 -10.651 6 HB2 SER 2 1HB SER 2 -13.440 -1.985 -12.434 7 HB3 SER 2 2HB SER 2 -13.993 -0.520 -13.246 8 HG SER 2 HG SER 2 -11.263 -0.906 -12.665 9 H SER 3 H SER 3 -11.934 1.364 -9.724 10 HA SER 3 HA SER 3 -12.516 3.824 -11.074 11 HB2 SER 3 1HB SER 3 -11.089 4.852 -9.347 12 HB3 SER 3 2HB SER 3 -12.267 3.750 -8.633 13 HG SER 3 HG SER 3 -10.316 2.199 -8.990 14 H GLY 4 H GLY 4 -9.755 1.649 -10.865 15 HA2 GLY 4 1HA GLY 4 -8.669 2.238 -13.322 16 HA3 GLY 4 2HA GLY 4 -7.938 3.394 -12.217 17 H SER 5 H SER 5 -7.323 0.621 -13.717 18 HA SER 5 HA SER 5 -6.477 -1.237 -11.864 19 HB2 SER 5 1HB SER 5 -6.471 -1.599 -14.315 20 HB3 SER 5 2HB SER 5 -5.075 -0.531 -14.454 21 HG SER 5 HG SER 5 -4.888 -2.644 -12.651 22 H SER 6 H SER 6 -4.383 1.215 -13.397 23 HA SER 6 HA SER 6 -3.138 2.001 -10.992 24 HB2 SER 6 1HB SER 6 -2.135 -0.226 -11.050 25 HB3 SER 6 2HB SER 6 -1.560 0.055 -12.694 26 HG SER 6 HG SER 6 -0.255 1.736 -11.868 27 H GLY 7 H GLY 7 -1.498 3.602 -11.314 28 HA2 GLY 7 1HA GLY 7 -0.127 4.499 -13.375 29 HA3 GLY 7 2HA GLY 7 -1.749 4.893 -13.928 30 H THR 8 H THR 8 -0.464 5.068 -10.635 31 HA THR 8 HA THR 8 -0.714 7.998 -10.755 32 HB THR 8 HB THR 8 -1.561 7.917 -8.381 33 HG1 THR 8 HG1 THR 8 -0.917 5.534 -8.300 34 HG21 THR 8 3HG2 THR 8 -3.172 8.457 -9.998 35 HG22 THR 8 1HG2 THR 8 -3.895 7.125 -9.098 36 HG23 THR 8 2HG2 THR 8 -3.167 6.829 -10.676 37 H GLY 9 H GLY 9 1.677 6.530 -11.042 38 HA2 GLY 9 1HA GLY 9 3.845 6.668 -10.287 39 HA3 GLY 9 2HA GLY 9 3.278 7.793 -9.061 40 H GLU 10 H GLU 10 5.202 6.249 -8.208 41 HA GLU 10 HA GLU 10 4.036 3.875 -6.954 42 HB2 GLU 10 1HB GLU 10 6.889 4.845 -7.162 43 HB3 GLU 10 2HB GLU 10 6.405 3.416 -6.260 44 HG2 GLU 10 1HG GLU 10 5.785 2.262 -8.197 45 HG3 GLU 10 2HG GLU 10 5.759 3.732 -9.168 46 H LYS 11 H LYS 11 3.220 4.032 -4.984 47 HA LYS 11 HA LYS 11 3.495 6.340 -3.367 48 HB2 LYS 11 1HB LYS 11 2.383 3.591 -2.811 49 HB3 LYS 11 2HB LYS 11 2.354 4.888 -1.624 50 HG2 LYS 11 1HG LYS 11 0.273 5.092 -2.549 51 HG3 LYS 11 2HG LYS 11 1.191 6.223 -3.546 52 HD2 LYS 11 1HD LYS 11 1.231 4.779 -5.367 53 HD3 LYS 11 2HD LYS 11 0.904 3.358 -4.372 54 HE2 LYS 11 1HE LYS 11 -1.371 4.333 -3.922 55 HE3 LYS 11 2HE LYS 11 -1.013 5.550 -5.146 56 HZ1 LYS 11 3HZ LYS 11 -0.431 3.242 -6.416 57 HZ2 LYS 11 1HZ LYS 11 -1.895 4.079 -6.552 58 HZ3 LYS 11 2HZ LYS 11 -1.757 2.789 -5.468 59 HA PRO 12 HA PRO 12 7.227 5.494 -1.191 60 HB2 PRO 12 1HB PRO 12 6.774 6.978 1.037 61 HB3 PRO 12 2HB PRO 12 7.165 7.694 -0.531 62 HG2 PRO 12 1HG PRO 12 4.498 7.360 0.787 63 HG3 PRO 12 2HG PRO 12 5.145 8.758 -0.092 64 HD2 PRO 12 1HD PRO 12 3.416 7.003 -1.216 65 HD3 PRO 12 2HD PRO 12 4.670 7.841 -2.153 66 H TYR 13 H TYR 13 4.130 5.070 0.445 67 HA TYR 13 HA TYR 13 5.368 3.235 2.365 68 HB2 TYR 13 1HB TYR 13 2.542 4.313 2.295 69 HB3 TYR 13 2HB TYR 13 3.264 3.369 3.594 70 HD1 TYR 13 HD1 TYR 13 5.037 4.369 5.010 71 HD2 TYR 13 HD2 TYR 13 2.939 6.659 2.102 72 HE1 TYR 13 HE1 TYR 13 5.810 6.439 6.091 73 HE2 TYR 13 HE2 TYR 13 3.707 8.735 3.175 74 HH TYR 13 HH TYR 13 6.047 8.699 5.783 75 H SER 14 H SER 14 4.776 1.097 2.546 76 HA SER 14 HA SER 14 2.749 0.002 0.778 77 HB2 SER 14 1HB SER 14 4.294 -1.644 -0.225 78 HB3 SER 14 2HB SER 14 4.739 0.009 -0.651 79 HG SER 14 HG SER 14 5.901 -1.091 1.631 80 H CYS 15 H CYS 15 1.980 -2.006 1.422 81 HA CYS 15 HA CYS 15 2.622 -2.718 4.167 82 HB2 CYS 15 1HB CYS 15 0.290 -2.583 3.731 83 HB3 CYS 15 2HB CYS 15 0.433 -3.548 2.266 84 H ASN 16 H ASN 16 4.176 -4.140 4.556 85 HA ASN 16 HA ASN 16 4.900 -6.104 2.526 86 HB2 ASN 16 1HB ASN 16 6.890 -6.498 3.865 87 HB3 ASN 16 2HB ASN 16 6.674 -4.766 3.626 88 HD21 ASN 16 1HD2 ASN 16 7.589 -6.940 5.811 89 HD22 ASN 16 2HD2 ASN 16 7.128 -6.142 7.272 90 H VAL 17 H VAL 17 2.408 -6.540 3.721 91 HA VAL 17 HA VAL 17 2.945 -9.008 5.238 92 HB VAL 17 HB VAL 17 0.635 -7.107 5.661 93 HG11 VAL 17 1HG1 VAL 17 -0.062 -8.607 7.439 94 HG12 VAL 17 2HG1 VAL 17 -0.012 -9.467 5.899 95 HG13 VAL 17 3HG1 VAL 17 1.281 -9.690 7.078 96 HG21 VAL 17 3HG2 VAL 17 1.682 -6.294 7.495 97 HG22 VAL 17 1HG2 VAL 17 2.468 -7.830 7.860 98 HG23 VAL 17 2HG2 VAL 17 3.127 -6.777 6.608 99 H CYS 18 H CYS 18 0.328 -7.347 3.466 100 HA CYS 18 HA CYS 18 -0.385 -9.945 2.274 101 HB2 CYS 18 1HB CYS 18 -2.638 -9.159 2.052 102 HB3 CYS 18 2HB CYS 18 -2.123 -8.828 3.703 103 H GLY 19 H GLY 19 0.069 -6.501 1.611 104 HA2 GLY 19 1HA GLY 19 1.375 -6.116 -0.499 105 HA3 GLY 19 2HA GLY 19 0.187 -7.159 -1.267 106 H LYS 20 H LYS 20 0.576 -4.088 0.445 107 HA LYS 20 HA LYS 20 -1.538 -2.965 -1.245 108 HB2 LYS 20 1HB LYS 20 -2.219 -3.634 1.227 109 HB3 LYS 20 2HB LYS 20 -1.435 -2.107 1.612 110 HG2 LYS 20 1HG LYS 20 -3.029 -0.859 0.550 111 HG3 LYS 20 2HG LYS 20 -3.456 -2.156 -0.569 112 HD2 LYS 20 1HD LYS 20 -4.321 -3.366 1.555 113 HD3 LYS 20 2HD LYS 20 -4.298 -1.756 2.278 114 HE2 LYS 20 1HE LYS 20 -5.611 -1.077 0.134 115 HE3 LYS 20 2HE LYS 20 -5.958 -2.802 0.021 116 HZ1 LYS 20 3HZ LYS 20 -7.715 -1.762 1.216 117 HZ2 LYS 20 1HZ LYS 20 -6.639 -0.984 2.265 118 HZ3 LYS 20 2HZ LYS 20 -6.817 -2.664 2.331 119 H ALA 21 H ALA 21 -1.588 -0.486 -0.933 120 HA ALA 21 HA ALA 21 1.091 0.582 -0.409 121 HB1 ALA 21 3HB ALA 21 1.098 0.195 -2.775 122 HB2 ALA 21 1HB ALA 21 -0.464 0.993 -2.957 123 HB3 ALA 21 2HB ALA 21 0.957 1.930 -2.495 124 H PHE 22 H PHE 22 1.153 2.782 0.143 125 HA PHE 22 HA PHE 22 -1.370 4.226 0.345 126 HB2 PHE 22 1HB PHE 22 0.379 3.872 2.781 127 HB3 PHE 22 2HB PHE 22 -1.204 4.640 2.696 128 HD1 PHE 22 HD2 PHE 22 0.569 1.411 2.510 129 HD2 PHE 22 HD1 PHE 22 -3.191 3.376 2.858 130 HE1 PHE 22 HE2 PHE 22 -0.496 -0.734 3.074 131 HE2 PHE 22 HE1 PHE 22 -4.262 1.234 3.424 132 HZ PHE 22 HZ PHE 22 -2.914 -0.825 3.531 133 H VAL 23 H VAL 23 -1.137 6.468 0.522 134 HA VAL 23 HA VAL 23 1.359 7.486 -0.495 135 HB VAL 23 HB VAL 23 -1.169 8.953 0.273 136 HG11 VAL 23 1HG1 VAL 23 0.645 10.496 0.337 137 HG12 VAL 23 2HG1 VAL 23 1.314 9.864 -1.169 138 HG13 VAL 23 3HG1 VAL 23 -0.210 10.753 -1.183 139 HG21 VAL 23 3HG2 VAL 23 -1.583 7.413 -1.535 140 HG22 VAL 23 1HG2 VAL 23 -1.532 9.055 -2.178 141 HG23 VAL 23 2HG2 VAL 23 -0.152 7.979 -2.395 142 H LEU 24 H LEU 24 -0.467 7.680 2.517 143 HA LEU 24 HA LEU 24 1.766 9.164 3.730 144 HB2 LEU 24 1HB LEU 24 -1.040 8.850 4.779 145 HB3 LEU 24 2HB LEU 24 0.224 9.889 5.434 146 HG LEU 24 HG LEU 24 -1.074 10.243 2.733 147 HD11 LEU 24 1HD1 LEU 24 -2.518 10.611 4.807 148 HD12 LEU 24 2HD1 LEU 24 -2.403 11.934 3.647 149 HD13 LEU 24 3HD1 LEU 24 -1.467 11.988 5.141 150 HD21 LEU 24 3HD2 LEU 24 1.331 11.264 3.836 151 HD22 LEU 24 1HD2 LEU 24 0.165 12.584 3.757 152 HD23 LEU 24 2HD2 LEU 24 0.564 11.673 2.301 153 H SER 25 H SER 25 1.938 8.668 6.182 154 HA SER 25 HA SER 25 2.499 5.848 6.404 155 HB2 SER 25 1HB SER 25 4.091 7.481 7.297 156 HB3 SER 25 2HB SER 25 2.862 8.096 8.401 157 HG SER 25 HG SER 25 4.535 6.262 8.970 158 H ALA 26 H ALA 26 0.335 8.177 7.965 159 HA ALA 26 HA ALA 26 -0.769 6.571 9.927 160 HB1 ALA 26 3HB ALA 26 -1.798 8.893 8.362 161 HB2 ALA 26 1HB ALA 26 -2.884 8.024 9.447 162 HB3 ALA 26 2HB ALA 26 -1.418 8.773 10.080 163 H HIS 27 H HIS 27 -1.748 6.900 6.532 164 HA HIS 27 HA HIS 27 -3.996 5.236 6.625 165 HB2 HIS 27 1HB HIS 27 -2.096 5.854 4.358 166 HB3 HIS 27 2HB HIS 27 -3.599 4.959 4.153 167 HD2 HIS 27 HD2 HIS 27 -5.251 7.143 6.233 168 HE1 HIS 27 HE1 HIS 27 -4.449 9.769 2.998 169 HE2 HIS 27 HE2 HIS 27 -5.771 9.416 5.113 170 H LEU 28 H LEU 28 -0.616 4.476 5.834 171 HA LEU 28 HA LEU 28 -0.935 1.778 5.237 172 HB2 LEU 28 1HB LEU 28 1.134 2.789 4.741 173 HB3 LEU 28 2HB LEU 28 1.357 3.329 6.404 174 HG LEU 28 HG LEU 28 1.648 0.939 7.064 175 HD11 LEU 28 1HD1 LEU 28 2.025 -0.733 5.393 176 HD12 LEU 28 2HD1 LEU 28 1.828 0.446 4.098 177 HD13 LEU 28 3HD1 LEU 28 0.448 -0.001 5.100 178 HD21 LEU 28 3HD2 LEU 28 3.814 1.391 6.916 179 HD22 LEU 28 1HD2 LEU 28 3.444 2.695 5.787 180 HD23 LEU 28 2HD2 LEU 28 3.792 1.076 5.180 181 H ASN 29 H ASN 29 -0.232 3.314 8.365 182 HA ASN 29 HA ASN 29 -0.038 0.989 9.896 183 HB2 ASN 29 1HB ASN 29 -0.945 3.772 10.647 184 HB3 ASN 29 2HB ASN 29 -0.676 2.490 11.824 185 HD21 ASN 29 1HD2 ASN 29 0.807 4.335 12.514 186 HD22 ASN 29 2HD2 ASN 29 2.430 4.257 11.926 187 H GLN 30 H GLN 30 -2.865 3.137 9.534 188 HA GLN 30 HA GLN 30 -4.736 1.806 10.974 189 HB2 GLN 30 1HB GLN 30 -4.924 3.303 8.387 190 HB3 GLN 30 2HB GLN 30 -6.354 2.516 9.041 191 HG2 GLN 30 1HG GLN 30 -5.829 3.784 11.202 192 HG3 GLN 30 2HG GLN 30 -4.754 4.762 10.204 193 HE21 GLN 30 1HE2 GLN 30 -5.658 5.993 8.497 194 HE22 GLN 30 2HE2 GLN 30 -7.319 6.467 8.531 195 H HIS 31 H HIS 31 -3.345 0.802 7.943 196 HA HIS 31 HA HIS 31 -5.283 -1.252 7.424 197 HB2 HIS 31 1HB HIS 31 -4.098 -0.268 5.558 198 HB3 HIS 31 2HB HIS 31 -2.545 -0.725 6.252 199 HD1 HIS 31 HD1 HIS 31 -5.709 -2.546 5.152 200 HD2 HIS 31 HD2 HIS 31 -1.577 -2.974 5.126 201 HE1 HIS 31 HE1 HIS 31 -5.264 -4.702 3.936 202 H LEU 32 H LEU 32 -1.870 -1.275 8.454 203 HA LEU 32 HA LEU 32 -1.316 -3.877 8.769 204 HB2 LEU 32 1HB LEU 32 -0.809 -1.787 10.881 205 HB3 LEU 32 2HB LEU 32 0.043 -3.322 10.725 206 HG LEU 32 HG LEU 32 0.098 -1.208 8.583 207 HD11 LEU 32 1HD1 LEU 32 1.109 -0.836 11.102 208 HD12 LEU 32 2HD1 LEU 32 1.683 -0.042 9.636 209 HD13 LEU 32 3HD1 LEU 32 2.490 -1.495 10.225 210 HD21 LEU 32 3HD2 LEU 32 0.964 -2.992 7.517 211 HD22 LEU 32 1HD2 LEU 32 1.323 -3.847 9.017 212 HD23 LEU 32 2HD2 LEU 32 2.416 -2.591 8.435 213 H ARG 33 H ARG 33 -3.455 -2.012 10.858 214 HA ARG 33 HA ARG 33 -3.857 -3.706 12.965 215 HB2 ARG 33 1HB ARG 33 -5.748 -1.907 11.478 216 HB3 ARG 33 2HB ARG 33 -6.306 -2.863 12.844 217 HG2 ARG 33 1HG ARG 33 -5.682 -0.546 13.438 218 HG3 ARG 33 2HG ARG 33 -4.766 -1.771 14.318 219 HD2 ARG 33 1HD ARG 33 -2.917 -1.493 12.698 220 HD3 ARG 33 2HD ARG 33 -3.830 -0.200 11.920 221 HE ARG 33 HE ARG 33 -2.281 -0.001 14.297 222 HH11 ARG 33 1HH1 ARG 33 -5.148 1.207 12.734 223 HH12 ARG 33 2HH1 ARG 33 -5.130 2.719 13.580 224 HH21 ARG 33 1HH2 ARG 33 -2.246 1.986 15.417 225 HH22 ARG 33 2HH2 ARG 33 -3.479 3.161 15.105 226 H VAL 34 H VAL 34 -5.606 -3.803 9.862 227 HA VAL 34 HA VAL 34 -7.304 -5.898 10.278 228 HB VAL 34 HB VAL 34 -7.249 -6.356 7.904 229 HG11 VAL 34 1HG1 VAL 34 -7.947 -4.276 7.129 230 HG12 VAL 34 2HG1 VAL 34 -8.166 -4.152 8.875 231 HG13 VAL 34 3HG1 VAL 34 -6.764 -3.406 8.106 232 HG21 VAL 34 3HG2 VAL 34 -5.317 -4.591 6.891 233 HG22 VAL 34 1HG2 VAL 34 -4.515 -5.521 8.157 234 HG23 VAL 34 2HG2 VAL 34 -5.308 -6.353 6.819 235 H HIS 35 H HIS 35 -3.851 -6.012 10.002 236 HA HIS 35 HA HIS 35 -3.822 -8.911 9.704 237 HB2 HIS 35 1HB HIS 35 -1.478 -7.027 10.013 238 HB3 HIS 35 2HB HIS 35 -1.426 -8.702 9.470 239 HD1 HIS 35 HD1 HIS 35 -3.565 -8.730 7.330 240 HD2 HIS 35 HD2 HIS 35 -0.850 -5.619 7.788 241 HE1 HIS 35 HE1 HIS 35 -3.459 -7.595 5.088 242 H THR 36 H THR 36 -5.048 -8.111 12.044 243 HA THR 36 HA THR 36 -3.047 -8.795 14.098 244 HB THR 36 HB THR 36 -3.965 -6.562 14.466 245 HG1 THR 36 HG1 THR 36 -3.520 -7.784 16.325 246 HG21 THR 36 3HG2 THR 36 -6.248 -7.404 13.366 247 HG22 THR 36 1HG2 THR 36 -6.181 -6.027 14.465 248 HG23 THR 36 2HG2 THR 36 -6.676 -7.610 15.064 249 H GLN 37 H GLN 37 -6.253 -9.422 12.826 250 HA GLN 37 HA GLN 37 -6.833 -11.417 14.846 251 HB2 GLN 37 1HB GLN 37 -8.501 -9.829 13.596 252 HB3 GLN 37 2HB GLN 37 -8.446 -11.066 12.347 253 HG2 GLN 37 1HG GLN 37 -8.986 -12.703 14.266 254 HG3 GLN 37 2HG GLN 37 -9.481 -11.256 15.143 255 HE21 GLN 37 1HE2 GLN 37 -10.740 -13.711 13.605 256 HE22 GLN 37 2HE2 GLN 37 -12.102 -12.982 12.833 257 H GLU 38 H GLU 38 -6.665 -11.483 11.279 258 HA GLU 38 HA GLU 38 -6.191 -14.348 11.347 259 HB2 GLU 38 1HB GLU 38 -7.678 -13.036 9.660 260 HB3 GLU 38 2HB GLU 38 -6.158 -12.677 8.855 261 HG2 GLU 38 1HG GLU 38 -7.419 -14.652 7.969 262 HG3 GLU 38 2HG GLU 38 -5.740 -14.954 8.410 263 H THR 39 H THR 39 -4.460 -15.220 9.849 264 HA THR 39 HA THR 39 -2.072 -13.537 9.728 265 HB THR 39 HB THR 39 -1.905 -14.696 11.886 266 HG1 THR 39 HG1 THR 39 0.137 -15.813 11.356 267 HG21 THR 39 3HG2 THR 39 -1.843 -17.276 10.329 268 HG22 THR 39 1HG2 THR 39 -3.282 -16.682 11.156 269 HG23 THR 39 2HG2 THR 39 -1.830 -17.068 12.080 270 H LEU 40 H LEU 40 -0.932 -13.855 7.915 271 HA LEU 40 HA LEU 40 -1.535 -16.257 6.317 272 HB2 LEU 40 1HB LEU 40 -0.868 -13.465 5.402 273 HB3 LEU 40 2HB LEU 40 -0.991 -14.859 4.332 274 HG LEU 40 HG LEU 40 -3.284 -13.883 6.022 275 HD11 LEU 40 1HD1 LEU 40 -2.681 -12.069 4.567 276 HD12 LEU 40 2HD1 LEU 40 -4.131 -12.849 3.937 277 HD13 LEU 40 3HD1 LEU 40 -2.566 -13.161 3.186 278 HD21 LEU 40 3HD2 LEU 40 -2.831 -16.095 4.193 279 HD22 LEU 40 1HD2 LEU 40 -4.223 -15.113 3.740 280 HD23 LEU 40 2HD2 LEU 40 -4.137 -15.830 5.349 281 H SER 41 H SER 41 0.496 -16.214 8.265 282 HA SER 41 HA SER 41 2.817 -16.672 6.548 283 HB2 SER 41 1HB SER 41 2.864 -14.347 7.712 284 HB3 SER 41 2HB SER 41 3.215 -15.266 9.176 285 HG SER 41 HG SER 41 4.868 -16.272 7.555 286 H GLY 42 H GLY 42 4.342 -18.158 7.403 287 HA2 GLY 42 1HA GLY 42 3.147 -19.964 9.382 288 HA3 GLY 42 2HA GLY 42 4.425 -20.377 8.248 289 HA PRO 43 HA PRO 43 5.986 -18.932 12.569 290 HB2 PRO 43 1HB PRO 43 6.020 -21.282 13.927 291 HB3 PRO 43 2HB PRO 43 4.647 -20.169 13.967 292 HG2 PRO 43 1HG PRO 43 5.025 -22.655 12.342 293 HG3 PRO 43 2HG PRO 43 3.586 -22.097 13.215 294 HD2 PRO 43 1HD PRO 43 3.874 -21.798 10.539 295 HD3 PRO 43 2HD PRO 43 2.984 -20.633 11.539 296 H SER 44 H SER 44 8.125 -18.747 12.430 297 HA SER 44 HA SER 44 9.676 -21.042 11.423 298 HB2 SER 44 1HB SER 44 11.361 -19.306 10.697 299 HB3 SER 44 2HB SER 44 9.827 -19.257 9.829 300 HG SER 44 HG SER 44 9.639 -17.281 10.481 301 H SER 45 H SER 45 11.437 -21.717 12.549 302 HA SER 45 HA SER 45 11.604 -21.344 15.274 303 HB2 SER 45 1HB SER 45 13.530 -22.351 13.216 304 HB3 SER 45 2HB SER 45 14.101 -22.100 14.866 305 HG SER 45 HG SER 45 11.703 -23.476 14.541 306 H GLY 46 H GLY 46 13.536 -19.747 12.748 307 HA2 GLY 46 1HA GLY 46 14.475 -17.633 12.755 308 HA3 GLY 46 2HA GLY 46 13.760 -17.364 14.338 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -15.376 -7.748 -26.531 2 HA2 GLY 1 1HA GLY 1 -12.490 -8.068 -26.236 3 HA3 GLY 1 2HA GLY 1 -13.035 -6.661 -27.138 4 H SER 2 H SER 2 -11.625 -7.006 -24.501 5 HA SER 2 HA SER 2 -13.416 -5.254 -22.962 6 HB2 SER 2 1HB SER 2 -11.695 -7.417 -21.729 7 HB3 SER 2 2HB SER 2 -12.827 -6.356 -20.891 8 HG SER 2 HG SER 2 -14.483 -7.340 -22.243 9 H SER 3 H SER 3 -12.277 -3.923 -21.360 10 HA SER 3 HA SER 3 -9.433 -3.664 -21.472 11 HB2 SER 3 1HB SER 3 -11.155 -1.850 -23.115 12 HB3 SER 3 2HB SER 3 -9.723 -1.183 -22.332 13 HG SER 3 HG SER 3 -8.771 -1.936 -24.058 14 H GLY 4 H GLY 4 -8.754 -1.547 -20.325 15 HA2 GLY 4 1HA GLY 4 -10.732 -0.503 -18.473 16 HA3 GLY 4 2HA GLY 4 -9.481 -1.499 -17.744 17 H SER 5 H SER 5 -9.150 0.599 -16.572 18 HA SER 5 HA SER 5 -7.203 2.229 -18.060 19 HB2 SER 5 1HB SER 5 -7.996 4.232 -16.877 20 HB3 SER 5 2HB SER 5 -9.295 3.504 -17.822 21 HG SER 5 HG SER 5 -10.354 3.474 -16.015 22 H SER 6 H SER 6 -5.290 2.456 -17.090 23 HA SER 6 HA SER 6 -5.014 2.378 -14.221 24 HB2 SER 6 1HB SER 6 -5.072 -0.058 -15.044 25 HB3 SER 6 2HB SER 6 -3.500 0.280 -15.770 26 HG SER 6 HG SER 6 -4.220 0.358 -13.033 27 H GLY 7 H GLY 7 -3.551 3.866 -13.730 28 HA2 GLY 7 1HA GLY 7 -1.010 4.010 -15.039 29 HA3 GLY 7 2HA GLY 7 -2.061 5.339 -15.507 30 H THR 8 H THR 8 0.210 4.289 -13.290 31 HA THR 8 HA THR 8 -0.125 6.691 -11.709 32 HB THR 8 HB THR 8 -0.071 5.498 -9.540 33 HG1 THR 8 HG1 THR 8 0.690 3.464 -10.682 34 HG21 THR 8 3HG2 THR 8 -2.421 4.804 -11.307 35 HG22 THR 8 1HG2 THR 8 -2.205 6.299 -10.399 36 HG23 THR 8 2HG2 THR 8 -2.425 4.773 -9.544 37 H GLY 9 H GLY 9 1.658 6.731 -9.936 38 HA2 GLY 9 1HA GLY 9 4.145 5.938 -11.274 39 HA3 GLY 9 2HA GLY 9 3.991 7.168 -10.028 40 H GLU 10 H GLU 10 3.751 6.503 -7.830 41 HA GLU 10 HA GLU 10 3.844 3.801 -7.013 42 HB2 GLU 10 1HB GLU 10 6.136 3.623 -6.257 43 HB3 GLU 10 2HB GLU 10 6.116 3.950 -7.984 44 HG2 GLU 10 1HG GLU 10 6.369 6.430 -7.243 45 HG3 GLU 10 2HG GLU 10 6.938 5.722 -5.732 46 H LYS 11 H LYS 11 4.238 3.588 -4.663 47 HA LYS 11 HA LYS 11 3.623 6.103 -3.254 48 HB2 LYS 11 1HB LYS 11 2.522 3.334 -2.930 49 HB3 LYS 11 2HB LYS 11 2.547 4.431 -1.556 50 HG2 LYS 11 1HG LYS 11 0.419 4.660 -2.511 51 HG3 LYS 11 2HG LYS 11 1.322 6.086 -3.028 52 HD2 LYS 11 1HD LYS 11 1.493 5.348 -5.210 53 HD3 LYS 11 2HD LYS 11 1.289 3.653 -4.762 54 HE2 LYS 11 1HE LYS 11 -1.092 4.490 -4.009 55 HE3 LYS 11 2HE LYS 11 -0.760 5.779 -5.165 56 HZ1 LYS 11 3HZ LYS 11 -0.364 2.977 -5.966 57 HZ2 LYS 11 1HZ LYS 11 -0.741 4.322 -6.921 58 HZ3 LYS 11 2HZ LYS 11 -1.929 3.620 -5.942 59 HA PRO 12 HA PRO 12 7.252 5.437 -0.852 60 HB2 PRO 12 1HB PRO 12 6.593 6.900 1.339 61 HB3 PRO 12 2HB PRO 12 7.045 7.632 -0.205 62 HG2 PRO 12 1HG PRO 12 4.321 7.173 0.949 63 HG3 PRO 12 2HG PRO 12 4.953 8.599 0.106 64 HD2 PRO 12 1HD PRO 12 3.382 6.763 -1.116 65 HD3 PRO 12 2HD PRO 12 4.650 7.659 -1.977 66 H TYR 13 H TYR 13 4.080 4.825 0.548 67 HA TYR 13 HA TYR 13 5.302 3.002 2.504 68 HB2 TYR 13 1HB TYR 13 2.476 4.078 2.454 69 HB3 TYR 13 2HB TYR 13 3.221 3.143 3.746 70 HD1 TYR 13 HD1 TYR 13 4.921 4.166 5.197 71 HD2 TYR 13 HD2 TYR 13 2.915 6.429 2.204 72 HE1 TYR 13 HE1 TYR 13 5.678 6.245 6.271 73 HE2 TYR 13 HE2 TYR 13 3.667 8.514 3.269 74 HH TYR 13 HH TYR 13 5.369 8.495 6.349 75 H SER 14 H SER 14 4.816 0.860 2.538 76 HA SER 14 HA SER 14 2.730 -0.184 0.794 77 HB2 SER 14 1HB SER 14 5.613 -1.077 0.538 78 HB3 SER 14 2HB SER 14 4.236 -1.750 -0.334 79 HG SER 14 HG SER 14 5.162 -0.278 -1.685 80 H CYS 15 H CYS 15 1.825 -2.031 1.545 81 HA CYS 15 HA CYS 15 2.583 -2.894 4.191 82 HB2 CYS 15 1HB CYS 15 0.239 -2.715 3.781 83 HB3 CYS 15 2HB CYS 15 0.353 -3.689 2.319 84 H ASN 16 H ASN 16 4.328 -4.168 4.327 85 HA ASN 16 HA ASN 16 4.906 -6.144 2.292 86 HB2 ASN 16 1HB ASN 16 6.974 -6.503 3.450 87 HB3 ASN 16 2HB ASN 16 6.683 -4.766 3.427 88 HD21 ASN 16 1HD2 ASN 16 7.577 -7.317 5.311 89 HD22 ASN 16 2HD2 ASN 16 7.266 -6.641 6.870 90 H VAL 17 H VAL 17 2.476 -6.659 3.527 91 HA VAL 17 HA VAL 17 3.087 -9.167 4.940 92 HB VAL 17 HB VAL 17 0.808 -7.302 5.617 93 HG11 VAL 17 1HG1 VAL 17 1.598 -10.015 6.640 94 HG12 VAL 17 2HG1 VAL 17 0.572 -8.918 7.566 95 HG13 VAL 17 3HG1 VAL 17 0.045 -9.498 5.985 96 HG21 VAL 17 3HG2 VAL 17 3.108 -8.044 7.402 97 HG22 VAL 17 1HG2 VAL 17 3.166 -6.641 6.334 98 HG23 VAL 17 2HG2 VAL 17 1.939 -6.738 7.597 99 H CYS 18 H CYS 18 0.475 -7.363 3.316 100 HA CYS 18 HA CYS 18 -0.434 -9.912 2.149 101 HB2 CYS 18 1HB CYS 18 -2.654 -9.015 2.043 102 HB3 CYS 18 2HB CYS 18 -2.048 -8.730 3.671 103 H GLY 19 H GLY 19 0.161 -6.487 1.504 104 HA2 GLY 19 1HA GLY 19 1.382 -6.129 -0.657 105 HA3 GLY 19 2HA GLY 19 0.122 -7.115 -1.384 106 H LYS 20 H LYS 20 0.594 -4.130 0.484 107 HA LYS 20 HA LYS 20 -1.495 -2.881 -1.161 108 HB2 LYS 20 1HB LYS 20 -2.132 -3.587 1.305 109 HB3 LYS 20 2HB LYS 20 -1.267 -2.112 1.718 110 HG2 LYS 20 1HG LYS 20 -2.812 -0.753 0.682 111 HG3 LYS 20 2HG LYS 20 -3.390 -2.041 -0.377 112 HD2 LYS 20 1HD LYS 20 -3.765 -2.261 2.582 113 HD3 LYS 20 2HD LYS 20 -4.856 -1.252 1.628 114 HE2 LYS 20 1HE LYS 20 -4.998 -3.387 0.113 115 HE3 LYS 20 2HE LYS 20 -4.462 -4.210 1.576 116 HZ1 LYS 20 3HZ LYS 20 -6.509 -2.462 2.296 117 HZ2 LYS 20 1HZ LYS 20 -6.538 -4.154 2.299 118 HZ3 LYS 20 2HZ LYS 20 -7.039 -3.301 0.926 119 H ALA 21 H ALA 21 -1.446 -0.422 -0.850 120 HA ALA 21 HA ALA 21 1.212 0.613 -0.238 121 HB1 ALA 21 3HB ALA 21 1.438 1.742 -2.377 122 HB2 ALA 21 1HB ALA 21 1.310 -0.001 -2.611 123 HB3 ALA 21 2HB ALA 21 -0.080 1.036 -2.930 124 H PHE 22 H PHE 22 1.228 2.740 0.394 125 HA PHE 22 HA PHE 22 -1.266 4.263 0.195 126 HB2 PHE 22 1HB PHE 22 0.266 3.945 2.783 127 HB3 PHE 22 2HB PHE 22 -1.222 4.857 2.544 128 HD1 PHE 22 HD2 PHE 22 0.246 1.512 2.821 129 HD2 PHE 22 HD1 PHE 22 -3.348 3.754 2.402 130 HE1 PHE 22 HE2 PHE 22 -1.065 -0.492 3.384 131 HE2 PHE 22 HE1 PHE 22 -4.665 1.753 2.965 132 HZ PHE 22 HZ PHE 22 -3.524 -0.373 3.456 133 H VAL 23 H VAL 23 -1.003 6.552 0.540 134 HA VAL 23 HA VAL 23 1.568 7.487 -0.428 135 HB VAL 23 HB VAL 23 -0.946 9.062 0.149 136 HG11 VAL 23 1HG1 VAL 23 1.604 10.007 -0.198 137 HG12 VAL 23 2HG1 VAL 23 0.939 10.086 -1.831 138 HG13 VAL 23 3HG1 VAL 23 0.124 10.915 -0.504 139 HG21 VAL 23 3HG2 VAL 23 -1.609 7.672 -1.569 140 HG22 VAL 23 1HG2 VAL 23 -0.952 9.045 -2.461 141 HG23 VAL 23 2HG2 VAL 23 0.010 7.580 -2.263 142 H LEU 24 H LEU 24 -0.365 7.620 2.490 143 HA LEU 24 HA LEU 24 1.749 9.210 3.785 144 HB2 LEU 24 1HB LEU 24 -1.078 8.825 4.746 145 HB3 LEU 24 2HB LEU 24 0.125 9.944 5.383 146 HG LEU 24 HG LEU 24 -0.996 10.156 2.596 147 HD11 LEU 24 1HD1 LEU 24 -1.894 11.903 4.841 148 HD12 LEU 24 2HD1 LEU 24 -2.659 10.333 4.600 149 HD13 LEU 24 3HD1 LEU 24 -2.690 11.536 3.310 150 HD21 LEU 24 3HD2 LEU 24 0.549 12.025 4.386 151 HD22 LEU 24 1HD2 LEU 24 -0.217 12.510 2.873 152 HD23 LEU 24 2HD2 LEU 24 1.079 11.313 2.861 153 H SER 25 H SER 25 1.833 8.736 6.240 154 HA SER 25 HA SER 25 2.458 5.938 6.516 155 HB2 SER 25 1HB SER 25 3.416 6.541 8.647 156 HB3 SER 25 2HB SER 25 3.878 7.771 7.470 157 HG SER 25 HG SER 25 2.585 9.199 8.422 158 H ALA 26 H ALA 26 0.223 8.210 8.090 159 HA ALA 26 HA ALA 26 -0.953 6.512 9.922 160 HB1 ALA 26 3HB ALA 26 -3.069 8.049 9.151 161 HB2 ALA 26 1HB ALA 26 -1.819 8.544 10.294 162 HB3 ALA 26 2HB ALA 26 -1.699 9.013 8.598 163 H HIS 27 H HIS 27 -1.735 6.946 6.497 164 HA HIS 27 HA HIS 27 -4.031 5.358 6.395 165 HB2 HIS 27 1HB HIS 27 -1.941 6.031 4.331 166 HB3 HIS 27 2HB HIS 27 -3.336 5.026 3.947 167 HD2 HIS 27 HD2 HIS 27 -5.305 7.121 5.905 168 HE1 HIS 27 HE1 HIS 27 -4.475 9.718 2.654 169 HE2 HIS 27 HE2 HIS 27 -5.905 9.325 4.690 170 H LEU 28 H LEU 28 -0.627 4.475 5.894 171 HA LEU 28 HA LEU 28 -1.116 1.745 5.350 172 HB2 LEU 28 1HB LEU 28 0.956 2.585 4.656 173 HB3 LEU 28 2HB LEU 28 1.296 3.291 6.235 174 HG LEU 28 HG LEU 28 1.456 0.896 7.091 175 HD11 LEU 28 1HD1 LEU 28 1.866 0.252 4.185 176 HD12 LEU 28 2HD1 LEU 28 0.343 -0.039 5.023 177 HD13 LEU 28 3HD1 LEU 28 1.812 -0.857 5.555 178 HD21 LEU 28 3HD2 LEU 28 3.526 1.644 5.042 179 HD22 LEU 28 1HD2 LEU 28 3.751 0.764 6.554 180 HD23 LEU 28 2HD2 LEU 28 3.359 2.483 6.585 181 H ASN 29 H ASN 29 -0.306 3.487 8.326 182 HA ASN 29 HA ASN 29 0.039 1.327 10.034 183 HB2 ASN 29 1HB ASN 29 0.601 3.348 11.012 184 HB3 ASN 29 2HB ASN 29 -0.845 4.158 10.417 185 HD21 ASN 29 1HD2 ASN 29 -1.212 4.980 12.503 186 HD22 ASN 29 2HD2 ASN 29 -1.874 3.990 13.754 187 H GLN 30 H GLN 30 -2.958 3.193 9.513 188 HA GLN 30 HA GLN 30 -4.684 1.767 11.085 189 HB2 GLN 30 1HB GLN 30 -4.998 3.310 8.562 190 HB3 GLN 30 2HB GLN 30 -6.349 2.305 9.068 191 HG2 GLN 30 1HG GLN 30 -6.446 4.685 9.819 192 HG3 GLN 30 2HG GLN 30 -6.583 3.485 11.104 193 HE21 GLN 30 1HE2 GLN 30 -4.883 3.223 12.556 194 HE22 GLN 30 2HE2 GLN 30 -3.642 4.410 12.738 195 H HIS 31 H HIS 31 -3.727 1.020 7.752 196 HA HIS 31 HA HIS 31 -5.382 -1.195 7.356 197 HB2 HIS 31 1HB HIS 31 -4.193 -0.168 5.509 198 HB3 HIS 31 2HB HIS 31 -2.641 -0.602 6.221 199 HD1 HIS 31 HD1 HIS 31 -5.759 -2.466 5.062 200 HD2 HIS 31 HD2 HIS 31 -1.621 -2.834 5.108 201 HE1 HIS 31 HE1 HIS 31 -5.262 -4.609 3.845 202 H LEU 32 H LEU 32 -1.975 -1.128 8.407 203 HA LEU 32 HA LEU 32 -1.381 -3.724 8.745 204 HB2 LEU 32 1HB LEU 32 -0.866 -1.509 10.720 205 HB3 LEU 32 2HB LEU 32 -0.084 -3.088 10.777 206 HG LEU 32 HG LEU 32 0.178 -1.097 8.524 207 HD11 LEU 32 1HD1 LEU 32 2.528 -0.923 9.388 208 HD12 LEU 32 2HD1 LEU 32 1.982 -1.766 10.837 209 HD13 LEU 32 3HD1 LEU 32 1.292 -0.199 10.417 210 HD21 LEU 32 3HD2 LEU 32 0.406 -3.429 7.811 211 HD22 LEU 32 1HD2 LEU 32 1.628 -3.688 9.057 212 HD23 LEU 32 2HD2 LEU 32 1.945 -2.571 7.729 213 H ARG 33 H ARG 33 -3.685 -1.913 10.642 214 HA ARG 33 HA ARG 33 -4.011 -3.496 12.868 215 HB2 ARG 33 1HB ARG 33 -6.126 -2.070 11.246 216 HB3 ARG 33 2HB ARG 33 -6.395 -2.741 12.849 217 HG2 ARG 33 1HG ARG 33 -4.828 -1.217 13.821 218 HG3 ARG 33 2HG ARG 33 -4.335 -0.638 12.228 219 HD2 ARG 33 1HD ARG 33 -5.800 1.007 13.004 220 HD3 ARG 33 2HD ARG 33 -6.787 0.027 11.920 221 HE ARG 33 HE ARG 33 -8.079 -0.577 13.706 222 HH11 ARG 33 1HH1 ARG 33 -5.076 0.741 14.874 223 HH12 ARG 33 2HH1 ARG 33 -5.571 0.743 16.534 224 HH21 ARG 33 1HH2 ARG 33 -8.743 -0.579 15.888 225 HH22 ARG 33 2HH2 ARG 33 -7.657 -0.009 17.110 226 H VAL 34 H VAL 34 -5.587 -3.893 9.702 227 HA VAL 34 HA VAL 34 -7.186 -6.070 10.229 228 HB VAL 34 HB VAL 34 -6.945 -6.681 7.840 229 HG11 VAL 34 1HG1 VAL 34 -8.594 -5.104 8.102 230 HG12 VAL 34 2HG1 VAL 34 -7.479 -3.880 8.711 231 HG13 VAL 34 3HG1 VAL 34 -7.510 -4.267 6.990 232 HG21 VAL 34 3HG2 VAL 34 -5.127 -6.161 6.673 233 HG22 VAL 34 1HG2 VAL 34 -5.378 -4.444 6.986 234 HG23 VAL 34 2HG2 VAL 34 -4.443 -5.419 8.119 235 H HIS 35 H HIS 35 -3.757 -5.928 10.135 236 HA HIS 35 HA HIS 35 -3.538 -8.850 9.977 237 HB2 HIS 35 1HB HIS 35 -1.321 -6.794 9.942 238 HB3 HIS 35 2HB HIS 35 -1.168 -8.514 9.597 239 HD1 HIS 35 HD1 HIS 35 -3.442 -8.919 7.615 240 HD2 HIS 35 HD2 HIS 35 -0.871 -5.657 7.521 241 HE1 HIS 35 HE1 HIS 35 -3.523 -8.068 5.251 242 H THR 36 H THR 36 -4.694 -7.968 12.290 243 HA THR 36 HA THR 36 -2.559 -8.015 14.306 244 HB THR 36 HB THR 36 -4.215 -6.184 14.487 245 HG1 THR 36 HG1 THR 36 -4.404 -6.410 16.679 246 HG21 THR 36 3HG2 THR 36 -6.153 -8.461 14.892 247 HG22 THR 36 1HG2 THR 36 -6.196 -7.232 13.629 248 HG23 THR 36 2HG2 THR 36 -6.503 -6.784 15.307 249 H GLN 37 H GLN 37 -5.135 -9.874 12.965 250 HA GLN 37 HA GLN 37 -4.624 -11.974 14.961 251 HB2 GLN 37 1HB GLN 37 -6.931 -10.689 15.003 252 HB3 GLN 37 2HB GLN 37 -7.309 -11.770 13.668 253 HG2 GLN 37 1HG GLN 37 -6.565 -13.655 15.224 254 HG3 GLN 37 2HG GLN 37 -6.682 -12.459 16.514 255 HE21 GLN 37 1HE2 GLN 37 -8.324 -13.756 17.451 256 HE22 GLN 37 2HE2 GLN 37 -9.939 -13.714 16.841 257 H GLU 38 H GLU 38 -4.586 -14.088 14.209 258 HA GLU 38 HA GLU 38 -3.432 -14.748 11.900 259 HB2 GLU 38 1HB GLU 38 -4.386 -16.974 12.056 260 HB3 GLU 38 2HB GLU 38 -4.011 -16.372 13.665 261 HG2 GLU 38 1HG GLU 38 -6.517 -15.611 13.626 262 HG3 GLU 38 2HG GLU 38 -6.653 -16.860 12.389 263 H THR 39 H THR 39 -3.913 -15.086 9.774 264 HA THR 39 HA THR 39 -6.548 -14.128 8.887 265 HB THR 39 HB THR 39 -4.670 -12.825 8.024 266 HG1 THR 39 HG1 THR 39 -5.112 -13.485 5.656 267 HG21 THR 39 3HG2 THR 39 -2.967 -13.758 6.629 268 HG22 THR 39 1HG2 THR 39 -3.751 -15.337 6.629 269 HG23 THR 39 2HG2 THR 39 -3.019 -14.716 8.108 270 H LEU 40 H LEU 40 -7.659 -15.220 7.216 271 HA LEU 40 HA LEU 40 -8.432 -17.016 6.050 272 HB2 LEU 40 1HB LEU 40 -5.883 -16.976 5.386 273 HB3 LEU 40 2HB LEU 40 -5.844 -18.460 6.335 274 HG LEU 40 HG LEU 40 -6.088 -19.059 4.042 275 HD11 LEU 40 1HD1 LEU 40 -8.417 -20.084 4.072 276 HD12 LEU 40 2HD1 LEU 40 -8.610 -19.320 5.650 277 HD13 LEU 40 3HD1 LEU 40 -7.335 -20.512 5.397 278 HD21 LEU 40 3HD2 LEU 40 -8.535 -18.118 3.175 279 HD22 LEU 40 1HD2 LEU 40 -6.950 -17.534 2.666 280 HD23 LEU 40 2HD2 LEU 40 -7.810 -16.722 3.975 281 H SER 41 H SER 41 -9.093 -16.971 8.651 282 HA SER 41 HA SER 41 -8.590 -19.671 9.691 283 HB2 SER 41 1HB SER 41 -8.115 -17.922 11.293 284 HB3 SER 41 2HB SER 41 -9.700 -17.194 11.032 285 HG SER 41 HG SER 41 -8.983 -19.340 12.588 286 H GLY 42 H GLY 42 -10.017 -20.724 8.229 287 HA2 GLY 42 1HA GLY 42 -12.351 -21.647 8.970 288 HA3 GLY 42 2HA GLY 42 -12.860 -20.045 8.458 289 HA PRO 43 HA PRO 43 -13.453 -21.672 4.421 290 HB2 PRO 43 1HB PRO 43 -13.330 -19.366 2.994 291 HB3 PRO 43 2HB PRO 43 -14.712 -19.795 4.009 292 HG2 PRO 43 1HG PRO 43 -12.419 -17.965 4.606 293 HG3 PRO 43 2HG PRO 43 -14.145 -17.742 4.942 294 HD2 PRO 43 1HD PRO 43 -12.384 -18.539 6.837 295 HD3 PRO 43 2HD PRO 43 -14.079 -19.066 6.827 296 H SER 44 H SER 44 -11.700 -22.903 3.865 297 HA SER 44 HA SER 44 -9.468 -21.480 2.574 298 HB2 SER 44 1HB SER 44 -8.608 -22.358 4.644 299 HB3 SER 44 2HB SER 44 -9.340 -23.933 4.339 300 HG SER 44 HG SER 44 -6.934 -23.126 3.653 301 H SER 45 H SER 45 -9.032 -22.082 0.548 302 HA SER 45 HA SER 45 -10.718 -23.909 -0.811 303 HB2 SER 45 1HB SER 45 -9.350 -21.837 -1.690 304 HB3 SER 45 2HB SER 45 -8.095 -23.043 -1.969 305 HG SER 45 HG SER 45 -10.069 -24.200 -2.991 306 H GLY 46 H GLY 46 -10.263 -25.921 -1.725 307 HA2 GLY 46 1HA GLY 46 -7.745 -27.213 -0.951 308 HA3 GLY 46 2HA GLY 46 -9.253 -27.946 -0.424 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -5.138 -13.616 -21.100 2 HA2 GLY 1 1HA GLY 1 -5.030 -13.636 -18.191 3 HA3 GLY 1 2HA GLY 1 -3.493 -13.846 -19.016 4 H SER 2 H SER 2 -5.738 -11.624 -17.832 5 HA SER 2 HA SER 2 -4.523 -9.432 -19.377 6 HB2 SER 2 1HB SER 2 -7.092 -9.824 -19.338 7 HB3 SER 2 2HB SER 2 -7.013 -9.136 -17.716 8 HG SER 2 HG SER 2 -6.809 -7.238 -18.578 9 H SER 3 H SER 3 -3.174 -8.101 -18.373 10 HA SER 3 HA SER 3 -3.473 -7.518 -15.548 11 HB2 SER 3 1HB SER 3 -1.035 -8.918 -16.659 12 HB3 SER 3 2HB SER 3 -1.039 -8.066 -15.115 13 HG SER 3 HG SER 3 -3.068 -9.921 -15.545 14 H GLY 4 H GLY 4 -2.641 -5.547 -14.973 15 HA2 GLY 4 1HA GLY 4 -1.415 -4.001 -17.172 16 HA3 GLY 4 2HA GLY 4 -2.470 -3.311 -15.947 17 H SER 5 H SER 5 0.466 -2.960 -16.866 18 HA SER 5 HA SER 5 1.756 -3.289 -14.249 19 HB2 SER 5 1HB SER 5 2.951 -4.266 -16.162 20 HB3 SER 5 2HB SER 5 2.981 -2.691 -16.954 21 HG SER 5 HG SER 5 4.270 -1.923 -15.258 22 H SER 6 H SER 6 -0.134 -1.267 -14.432 23 HA SER 6 HA SER 6 1.197 1.238 -14.972 24 HB2 SER 6 1HB SER 6 -1.121 1.236 -15.470 25 HB3 SER 6 2HB SER 6 -1.534 0.518 -13.913 26 HG SER 6 HG SER 6 -1.946 2.599 -13.565 27 H GLY 7 H GLY 7 2.965 1.074 -13.497 28 HA2 GLY 7 1HA GLY 7 2.174 1.561 -10.691 29 HA3 GLY 7 2HA GLY 7 3.614 0.654 -11.130 30 H THR 8 H THR 8 2.138 3.824 -11.832 31 HA THR 8 HA THR 8 4.793 5.011 -12.003 32 HB THR 8 HB THR 8 3.173 5.650 -13.714 33 HG1 THR 8 HG1 THR 8 3.556 7.876 -11.987 34 HG21 THR 8 3HG2 THR 8 1.203 6.998 -13.133 35 HG22 THR 8 1HG2 THR 8 1.558 6.773 -11.421 36 HG23 THR 8 2HG2 THR 8 1.119 5.388 -12.420 37 H GLY 9 H GLY 9 1.846 5.266 -10.054 38 HA2 GLY 9 1HA GLY 9 2.371 7.417 -8.459 39 HA3 GLY 9 2HA GLY 9 1.583 5.960 -7.872 40 H GLU 10 H GLU 10 3.599 4.119 -7.931 41 HA GLU 10 HA GLU 10 5.219 3.313 -6.540 42 HB2 GLU 10 1HB GLU 10 6.452 4.773 -8.278 43 HB3 GLU 10 2HB GLU 10 6.649 5.924 -6.964 44 HG2 GLU 10 1HG GLU 10 8.043 4.520 -5.766 45 HG3 GLU 10 2HG GLU 10 7.481 3.078 -6.609 46 H LYS 11 H LYS 11 3.125 4.486 -5.145 47 HA LYS 11 HA LYS 11 3.412 6.420 -3.334 48 HB2 LYS 11 1HB LYS 11 2.398 3.619 -2.939 49 HB3 LYS 11 2HB LYS 11 2.368 4.782 -1.620 50 HG2 LYS 11 1HG LYS 11 0.244 4.906 -2.577 51 HG3 LYS 11 2HG LYS 11 1.102 6.311 -3.214 52 HD2 LYS 11 1HD LYS 11 1.215 5.452 -5.334 53 HD3 LYS 11 2HD LYS 11 1.199 3.779 -4.772 54 HE2 LYS 11 1HE LYS 11 -1.191 5.594 -4.561 55 HE3 LYS 11 2HE LYS 11 -0.879 4.592 -5.978 56 HZ1 LYS 11 3HZ LYS 11 -0.647 2.789 -4.039 57 HZ2 LYS 11 1HZ LYS 11 -2.106 3.118 -4.832 58 HZ3 LYS 11 2HZ LYS 11 -1.782 3.824 -3.329 59 HA PRO 12 HA PRO 12 7.099 5.814 -1.007 60 HB2 PRO 12 1HB PRO 12 6.459 7.257 1.202 61 HB3 PRO 12 2HB PRO 12 6.865 8.003 -0.349 62 HG2 PRO 12 1HG PRO 12 4.174 7.489 0.859 63 HG3 PRO 12 2HG PRO 12 4.763 8.930 0.009 64 HD2 PRO 12 1HD PRO 12 3.201 7.069 -1.187 65 HD3 PRO 12 2HD PRO 12 4.434 7.991 -2.071 66 H TYR 13 H TYR 13 3.967 5.015 0.325 67 HA TYR 13 HA TYR 13 5.257 3.266 2.310 68 HB2 TYR 13 1HB TYR 13 2.406 4.277 2.259 69 HB3 TYR 13 2HB TYR 13 3.141 3.306 3.530 70 HD1 TYR 13 HD1 TYR 13 4.813 4.294 5.039 71 HD2 TYR 13 HD2 TYR 13 2.824 6.638 2.097 72 HE1 TYR 13 HE1 TYR 13 5.534 6.343 6.193 73 HE2 TYR 13 HE2 TYR 13 3.540 8.694 3.242 74 HH TYR 13 HH TYR 13 5.248 9.445 4.780 75 H SER 14 H SER 14 4.507 1.127 2.570 76 HA SER 14 HA SER 14 2.568 0.015 0.764 77 HB2 SER 14 1HB SER 14 5.456 -0.835 0.450 78 HB3 SER 14 2HB SER 14 4.070 -1.487 -0.425 79 HG SER 14 HG SER 14 5.549 0.442 -1.229 80 H CYS 15 H CYS 15 1.919 -2.064 1.342 81 HA CYS 15 HA CYS 15 2.849 -2.913 3.990 82 HB2 CYS 15 1HB CYS 15 0.486 -2.537 3.920 83 HB3 CYS 15 2HB CYS 15 0.317 -3.488 2.448 84 H ASN 16 H ASN 16 4.142 -4.610 4.164 85 HA ASN 16 HA ASN 16 4.566 -6.343 1.869 86 HB2 ASN 16 1HB ASN 16 6.465 -7.225 3.144 87 HB3 ASN 16 2HB ASN 16 6.516 -5.465 3.083 88 HD21 ASN 16 1HD2 ASN 16 7.787 -7.221 4.975 89 HD22 ASN 16 2HD2 ASN 16 7.173 -6.802 6.535 90 H VAL 17 H VAL 17 2.841 -6.350 4.820 91 HA VAL 17 HA VAL 17 2.814 -9.061 5.489 92 HB VAL 17 HB VAL 17 0.580 -7.051 5.801 93 HG11 VAL 17 1HG1 VAL 17 0.942 -9.848 6.731 94 HG12 VAL 17 2HG1 VAL 17 0.186 -8.699 7.836 95 HG13 VAL 17 3HG1 VAL 17 -0.524 -8.996 6.249 96 HG21 VAL 17 3HG2 VAL 17 1.504 -6.403 7.815 97 HG22 VAL 17 1HG2 VAL 17 2.441 -7.887 7.982 98 HG23 VAL 17 2HG2 VAL 17 2.945 -6.651 6.829 99 H CYS 18 H CYS 18 0.384 -7.263 3.589 100 HA CYS 18 HA CYS 18 -0.396 -9.819 2.349 101 HB2 CYS 18 1HB CYS 18 -2.601 -8.985 2.084 102 HB3 CYS 18 2HB CYS 18 -2.125 -8.566 3.727 103 H GLY 19 H GLY 19 0.320 -6.417 1.754 104 HA2 GLY 19 1HA GLY 19 1.683 -5.980 -0.257 105 HA3 GLY 19 2HA GLY 19 0.611 -7.079 -1.112 106 H LYS 20 H LYS 20 0.707 -3.980 0.597 107 HA LYS 20 HA LYS 20 -1.360 -3.003 -1.250 108 HB2 LYS 20 1HB LYS 20 -2.054 -3.522 1.249 109 HB3 LYS 20 2HB LYS 20 -1.296 -1.963 1.549 110 HG2 LYS 20 1HG LYS 20 -2.911 -0.805 0.438 111 HG3 LYS 20 2HG LYS 20 -3.275 -2.142 -0.655 112 HD2 LYS 20 1HD LYS 20 -4.172 -3.317 1.471 113 HD3 LYS 20 2HD LYS 20 -4.200 -1.692 2.160 114 HE2 LYS 20 1HE LYS 20 -6.366 -2.245 1.220 115 HE3 LYS 20 2HE LYS 20 -5.615 -0.944 0.298 116 HZ1 LYS 20 3HZ LYS 20 -5.382 -2.243 -1.520 117 HZ2 LYS 20 1HZ LYS 20 -6.702 -3.057 -0.844 118 HZ3 LYS 20 2HZ LYS 20 -5.137 -3.663 -0.635 119 H ALA 21 H ALA 21 -1.499 -0.454 -0.874 120 HA ALA 21 HA ALA 21 1.162 0.685 -0.492 121 HB1 ALA 21 3HB ALA 21 0.574 2.020 -2.716 122 HB2 ALA 21 1HB ALA 21 1.468 0.500 -2.734 123 HB3 ALA 21 2HB ALA 21 -0.261 0.511 -3.085 124 H PHE 22 H PHE 22 1.119 2.680 0.383 125 HA PHE 22 HA PHE 22 -1.419 4.160 0.363 126 HB2 PHE 22 1HB PHE 22 0.325 3.772 2.805 127 HB3 PHE 22 2HB PHE 22 -1.171 4.698 2.729 128 HD1 PHE 22 HD1 PHE 22 -3.326 3.564 2.530 129 HD2 PHE 22 HD2 PHE 22 0.308 1.385 2.936 130 HE1 PHE 22 HE1 PHE 22 -4.605 1.547 3.119 131 HE2 PHE 22 HE2 PHE 22 -0.966 -0.636 3.525 132 HZ PHE 22 HZ PHE 22 -3.426 -0.557 3.616 133 H VAL 23 H VAL 23 -1.230 6.429 0.621 134 HA VAL 23 HA VAL 23 1.224 7.490 -0.470 135 HB VAL 23 HB VAL 23 -1.320 8.903 0.346 136 HG11 VAL 23 1HG1 VAL 23 -0.423 10.870 -0.261 137 HG12 VAL 23 2HG1 VAL 23 1.119 10.062 0.027 138 HG13 VAL 23 3HG1 VAL 23 0.466 10.162 -1.609 139 HG21 VAL 23 3HG2 VAL 23 -0.336 7.796 -2.268 140 HG22 VAL 23 1HG2 VAL 23 -1.867 7.489 -1.447 141 HG23 VAL 23 2HG2 VAL 23 -1.564 9.060 -2.190 142 H LEU 24 H LEU 24 -0.571 7.703 2.568 143 HA LEU 24 HA LEU 24 1.669 9.207 3.740 144 HB2 LEU 24 1HB LEU 24 -1.098 8.845 4.871 145 HB3 LEU 24 2HB LEU 24 0.156 9.938 5.451 146 HG LEU 24 HG LEU 24 -1.068 10.218 2.719 147 HD11 LEU 24 1HD1 LEU 24 -1.966 11.667 5.200 148 HD12 LEU 24 2HD1 LEU 24 -2.811 10.276 4.521 149 HD13 LEU 24 3HD1 LEU 24 -2.657 11.760 3.580 150 HD21 LEU 24 3HD2 LEU 24 -0.010 12.242 2.622 151 HD22 LEU 24 1HD2 LEU 24 1.144 11.345 3.609 152 HD23 LEU 24 2HD2 LEU 24 -0.001 12.449 4.374 153 H SER 25 H SER 25 1.874 8.723 6.198 154 HA SER 25 HA SER 25 2.548 5.938 6.419 155 HB2 SER 25 1HB SER 25 3.420 6.575 8.652 156 HB3 SER 25 2HB SER 25 4.037 7.618 7.372 157 HG SER 25 HG SER 25 2.434 9.150 7.976 158 H ALA 26 H ALA 26 0.263 8.128 8.023 159 HA ALA 26 HA ALA 26 -0.806 6.382 9.890 160 HB1 ALA 26 3HB ALA 26 -1.277 8.816 9.745 161 HB2 ALA 26 1HB ALA 26 -2.348 8.487 8.382 162 HB3 ALA 26 2HB ALA 26 -2.720 7.828 9.976 163 H HIS 27 H HIS 27 -1.781 6.897 6.515 164 HA HIS 27 HA HIS 27 -3.998 5.220 6.454 165 HB2 HIS 27 1HB HIS 27 -2.002 5.964 4.319 166 HB3 HIS 27 2HB HIS 27 -3.416 4.970 3.982 167 HD2 HIS 27 HD2 HIS 27 -5.285 7.027 6.073 168 HE1 HIS 27 HE1 HIS 27 -4.602 9.690 2.841 169 HE2 HIS 27 HE2 HIS 27 -5.935 9.257 4.934 170 H LEU 28 H LEU 28 -0.577 4.460 5.948 171 HA LEU 28 HA LEU 28 -0.983 1.730 5.299 172 HB2 LEU 28 1HB LEU 28 1.054 2.719 4.633 173 HB3 LEU 28 2HB LEU 28 1.397 3.288 6.265 174 HG LEU 28 HG LEU 28 1.668 0.878 6.935 175 HD11 LEU 28 1HD1 LEU 28 1.999 0.268 4.031 176 HD12 LEU 28 2HD1 LEU 28 0.410 0.146 4.783 177 HD13 LEU 28 3HD1 LEU 28 1.749 -0.830 5.388 178 HD21 LEU 28 3HD2 LEU 28 3.559 1.798 4.778 179 HD22 LEU 28 1HD2 LEU 28 3.917 0.741 6.143 180 HD23 LEU 28 2HD2 LEU 28 3.545 2.443 6.420 181 H ASN 29 H ASN 29 -0.074 3.375 8.316 182 HA ASN 29 HA ASN 29 0.211 1.104 9.915 183 HB2 ASN 29 1HB ASN 29 1.009 3.031 10.924 184 HB3 ASN 29 2HB ASN 29 -0.400 3.982 10.462 185 HD21 ASN 29 1HD2 ASN 29 -0.564 4.734 12.599 186 HD22 ASN 29 2HD2 ASN 29 -1.225 3.742 13.850 187 H GLN 30 H GLN 30 -2.639 3.193 9.471 188 HA GLN 30 HA GLN 30 -4.407 1.884 11.139 189 HB2 GLN 30 1HB GLN 30 -4.885 3.311 8.524 190 HB3 GLN 30 2HB GLN 30 -6.193 2.727 9.545 191 HG2 GLN 30 1HG GLN 30 -4.093 4.522 10.677 192 HG3 GLN 30 2HG GLN 30 -5.420 5.188 9.726 193 HE21 GLN 30 1HE2 GLN 30 -7.486 5.169 10.551 194 HE22 GLN 30 2HE2 GLN 30 -7.832 4.800 12.202 195 H HIS 31 H HIS 31 -3.375 1.031 7.896 196 HA HIS 31 HA HIS 31 -5.330 -0.959 7.413 197 HB2 HIS 31 1HB HIS 31 -4.155 -0.102 5.531 198 HB3 HIS 31 2HB HIS 31 -2.590 -0.461 6.254 199 HD1 HIS 31 HD1 HIS 31 -5.649 -2.451 5.153 200 HD2 HIS 31 HD2 HIS 31 -1.504 -2.711 5.240 201 HE1 HIS 31 HE1 HIS 31 -5.088 -4.624 4.019 202 H LEU 32 H LEU 32 -1.914 -1.248 8.398 203 HA LEU 32 HA LEU 32 -1.537 -3.874 8.680 204 HB2 LEU 32 1HB LEU 32 -0.878 -1.772 10.734 205 HB3 LEU 32 2HB LEU 32 -0.229 -3.411 10.758 206 HG LEU 32 HG LEU 32 0.195 -1.557 8.429 207 HD11 LEU 32 1HD1 LEU 32 1.858 -0.461 9.444 208 HD12 LEU 32 2HD1 LEU 32 2.428 -1.904 10.281 209 HD13 LEU 32 3HD1 LEU 32 1.084 -0.975 10.944 210 HD21 LEU 32 3HD2 LEU 32 0.879 -3.566 7.652 211 HD22 LEU 32 1HD2 LEU 32 1.133 -4.228 9.266 212 HD23 LEU 32 2HD2 LEU 32 2.342 -3.162 8.551 213 H ARG 33 H ARG 33 -3.677 -1.948 10.671 214 HA ARG 33 HA ARG 33 -4.195 -3.437 12.854 215 HB2 ARG 33 1HB ARG 33 -6.029 -1.939 11.023 216 HB3 ARG 33 2HB ARG 33 -6.706 -2.852 12.365 217 HG2 ARG 33 1HG ARG 33 -5.017 -1.563 13.816 218 HG3 ARG 33 2HG ARG 33 -4.893 -0.475 12.432 219 HD2 ARG 33 1HD ARG 33 -7.352 -0.178 12.506 220 HD3 ARG 33 2HD ARG 33 -7.398 -1.176 13.958 221 HE ARG 33 HE ARG 33 -5.627 1.086 14.143 222 HH11 ARG 33 1HH1 ARG 33 -8.886 -0.058 14.575 223 HH12 ARG 33 2HH1 ARG 33 -9.306 1.172 15.720 224 HH21 ARG 33 1HH2 ARG 33 -6.167 2.711 15.650 225 HH22 ARG 33 2HH2 ARG 33 -7.758 2.748 16.330 226 H VAL 34 H VAL 34 -5.784 -4.017 9.712 227 HA VAL 34 HA VAL 34 -7.270 -6.227 10.291 228 HB VAL 34 HB VAL 34 -7.145 -6.875 7.984 229 HG11 VAL 34 1HG1 VAL 34 -6.884 -3.876 8.165 230 HG12 VAL 34 2HG1 VAL 34 -7.683 -4.786 6.881 231 HG13 VAL 34 3HG1 VAL 34 -8.349 -4.793 8.515 232 HG21 VAL 34 3HG2 VAL 34 -4.726 -6.874 7.717 233 HG22 VAL 34 1HG2 VAL 34 -5.488 -5.920 6.444 234 HG23 VAL 34 2HG2 VAL 34 -4.701 -5.113 7.801 235 H HIS 35 H HIS 35 -3.797 -6.089 9.731 236 HA HIS 35 HA HIS 35 -3.525 -8.971 9.932 237 HB2 HIS 35 1HB HIS 35 -1.295 -6.941 9.852 238 HB3 HIS 35 2HB HIS 35 -1.220 -8.646 9.420 239 HD1 HIS 35 HD1 HIS 35 -3.326 -9.036 7.399 240 HD2 HIS 35 HD2 HIS 35 -1.102 -5.530 7.566 241 HE1 HIS 35 HE1 HIS 35 -3.496 -8.021 5.104 242 H THR 36 H THR 36 -4.684 -7.955 12.208 243 HA THR 36 HA THR 36 -2.526 -7.915 14.204 244 HB THR 36 HB THR 36 -4.196 -6.047 14.243 245 HG1 THR 36 HG1 THR 36 -3.297 -6.251 16.190 246 HG21 THR 36 3HG2 THR 36 -6.048 -8.340 14.822 247 HG22 THR 36 1HG2 THR 36 -6.244 -7.028 13.661 248 HG23 THR 36 2HG2 THR 36 -6.402 -6.708 15.388 249 H GLN 37 H GLN 37 -5.280 -9.716 13.084 250 HA GLN 37 HA GLN 37 -5.731 -11.336 15.331 251 HB2 GLN 37 1HB GLN 37 -7.158 -11.094 13.218 252 HB3 GLN 37 2HB GLN 37 -6.067 -12.262 12.485 253 HG2 GLN 37 1HG GLN 37 -8.037 -13.378 13.295 254 HG3 GLN 37 2HG GLN 37 -6.637 -13.876 14.243 255 HE21 GLN 37 1HE2 GLN 37 -9.779 -12.809 14.376 256 HE22 GLN 37 2HE2 GLN 37 -9.836 -12.332 16.036 257 H GLU 38 H GLU 38 -5.072 -13.469 15.800 258 HA GLU 38 HA GLU 38 -2.309 -13.976 15.192 259 HB2 GLU 38 1HB GLU 38 -4.371 -15.267 16.939 260 HB3 GLU 38 2HB GLU 38 -2.884 -16.129 16.571 261 HG2 GLU 38 1HG GLU 38 -1.568 -14.341 17.523 262 HG3 GLU 38 2HG GLU 38 -3.025 -13.391 17.813 263 H THR 39 H THR 39 -1.702 -14.895 13.355 264 HA THR 39 HA THR 39 -1.900 -16.029 11.348 265 HB THR 39 HB THR 39 -0.844 -17.639 12.871 266 HG1 THR 39 HG1 THR 39 -1.025 -18.547 10.912 267 HG21 THR 39 3HG2 THR 39 -3.622 -18.730 13.321 268 HG22 THR 39 1HG2 THR 39 -2.726 -17.765 14.494 269 HG23 THR 39 2HG2 THR 39 -2.117 -19.346 14.002 270 H LEU 40 H LEU 40 -4.301 -14.728 11.791 271 HA LEU 40 HA LEU 40 -6.542 -14.755 11.342 272 HB2 LEU 40 1HB LEU 40 -5.699 -16.875 9.375 273 HB3 LEU 40 2HB LEU 40 -7.137 -15.861 9.279 274 HG LEU 40 HG LEU 40 -4.331 -14.771 9.152 275 HD11 LEU 40 1HD1 LEU 40 -6.122 -15.190 6.784 276 HD12 LEU 40 2HD1 LEU 40 -4.975 -16.423 7.305 277 HD13 LEU 40 3HD1 LEU 40 -4.396 -14.830 6.820 278 HD21 LEU 40 3HD2 LEU 40 -7.076 -13.650 8.693 279 HD22 LEU 40 1HD2 LEU 40 -5.643 -12.909 7.978 280 HD23 LEU 40 2HD2 LEU 40 -5.787 -13.039 9.732 281 H SER 41 H SER 41 -6.281 -16.088 13.591 282 HA SER 41 HA SER 41 -7.276 -18.784 13.431 283 HB2 SER 41 1HB SER 41 -6.697 -16.900 15.710 284 HB3 SER 41 2HB SER 41 -7.481 -18.457 15.977 285 HG SER 41 HG SER 41 -4.984 -18.099 14.674 286 H GLY 42 H GLY 42 -9.278 -18.799 12.482 287 HA2 GLY 42 1HA GLY 42 -11.434 -17.622 14.097 288 HA3 GLY 42 2HA GLY 42 -11.392 -17.302 12.370 289 HA PRO 43 HA PRO 43 -13.869 -20.882 11.783 290 HB2 PRO 43 1HB PRO 43 -13.301 -21.388 9.176 291 HB3 PRO 43 2HB PRO 43 -14.326 -20.044 9.693 292 HG2 PRO 43 1HG PRO 43 -11.434 -20.033 8.921 293 HG3 PRO 43 2HG PRO 43 -12.712 -18.883 8.487 294 HD2 PRO 43 1HD PRO 43 -10.907 -18.386 10.443 295 HD3 PRO 43 2HD PRO 43 -12.573 -17.775 10.503 296 H SER 44 H SER 44 -13.582 -22.970 12.257 297 HA SER 44 HA SER 44 -11.004 -24.097 12.537 298 HB2 SER 44 1HB SER 44 -12.134 -26.108 13.231 299 HB3 SER 44 2HB SER 44 -13.031 -24.736 13.879 300 HG SER 44 HG SER 44 -14.267 -25.026 11.762 301 H SER 45 H SER 45 -10.489 -26.314 11.572 302 HA SER 45 HA SER 45 -10.407 -26.011 8.717 303 HB2 SER 45 1HB SER 45 -8.484 -26.892 10.020 304 HB3 SER 45 2HB SER 45 -9.438 -28.319 10.422 305 HG SER 45 HG SER 45 -9.612 -28.645 8.097 306 H GLY 46 H GLY 46 -11.409 -27.230 7.161 307 HA2 GLY 46 1HA GLY 46 -13.966 -28.163 7.555 308 HA3 GLY 46 2HA GLY 46 -12.942 -28.660 6.216 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -13.541 -6.194 -18.246 2 HA2 GLY 1 1HA GLY 1 -12.771 -5.888 -15.648 3 HA3 GLY 1 2HA GLY 1 -12.000 -5.038 -16.979 4 H SER 2 H SER 2 -11.739 -3.608 -14.922 5 HA SER 2 HA SER 2 -13.335 -1.301 -15.320 6 HB2 SER 2 1HB SER 2 -14.509 -1.179 -13.219 7 HB3 SER 2 2HB SER 2 -14.920 -2.717 -13.979 8 HG SER 2 HG SER 2 -13.813 -2.287 -11.591 9 H SER 3 H SER 3 -11.789 0.175 -15.194 10 HA SER 3 HA SER 3 -10.293 0.528 -12.762 11 HB2 SER 3 1HB SER 3 -9.021 -1.213 -14.175 12 HB3 SER 3 2HB SER 3 -8.648 0.130 -15.255 13 HG SER 3 HG SER 3 -7.381 1.005 -13.767 14 H GLY 4 H GLY 4 -8.600 2.390 -13.167 15 HA2 GLY 4 1HA GLY 4 -8.562 4.241 -15.092 16 HA3 GLY 4 2HA GLY 4 -10.133 4.550 -14.368 17 H SER 5 H SER 5 -6.673 4.350 -13.650 18 HA SER 5 HA SER 5 -7.064 6.450 -11.632 19 HB2 SER 5 1HB SER 5 -6.803 4.336 -10.427 20 HB3 SER 5 2HB SER 5 -5.316 3.997 -11.312 21 HG SER 5 HG SER 5 -5.343 5.109 -9.070 22 H SER 6 H SER 6 -5.125 7.701 -11.174 23 HA SER 6 HA SER 6 -3.126 7.607 -13.331 24 HB2 SER 6 1HB SER 6 -4.627 10.024 -12.315 25 HB3 SER 6 2HB SER 6 -3.139 10.145 -13.254 26 HG SER 6 HG SER 6 -5.035 10.263 -14.557 27 H GLY 7 H GLY 7 -2.676 6.437 -10.901 28 HA2 GLY 7 1HA GLY 7 -1.382 8.263 -9.089 29 HA3 GLY 7 2HA GLY 7 -1.385 6.509 -8.980 30 H THR 8 H THR 8 -0.176 8.871 -11.364 31 HA THR 8 HA THR 8 1.922 7.511 -12.397 32 HB THR 8 HB THR 8 1.275 9.818 -13.060 33 HG1 THR 8 HG1 THR 8 3.344 8.848 -13.643 34 HG21 THR 8 3HG2 THR 8 1.184 10.760 -10.767 35 HG22 THR 8 1HG2 THR 8 2.161 11.728 -11.870 36 HG23 THR 8 2HG2 THR 8 2.944 10.673 -10.693 37 H GLY 9 H GLY 9 3.920 6.852 -11.806 38 HA2 GLY 9 1HA GLY 9 5.892 6.804 -10.539 39 HA3 GLY 9 2HA GLY 9 5.144 7.887 -9.374 40 H GLU 10 H GLU 10 5.083 6.932 -7.456 41 HA GLU 10 HA GLU 10 3.616 4.524 -7.055 42 HB2 GLU 10 1HB GLU 10 5.427 3.146 -6.154 43 HB3 GLU 10 2HB GLU 10 5.702 3.522 -7.849 44 HG2 GLU 10 1HG GLU 10 6.946 5.163 -5.678 45 HG3 GLU 10 2HG GLU 10 7.679 3.657 -6.227 46 H LYS 11 H LYS 11 3.294 4.036 -4.822 47 HA LYS 11 HA LYS 11 3.431 6.378 -3.150 48 HB2 LYS 11 1HB LYS 11 2.131 3.705 -3.002 49 HB3 LYS 11 2HB LYS 11 2.432 4.543 -1.485 50 HG2 LYS 11 1HG LYS 11 0.217 5.057 -2.203 51 HG3 LYS 11 2HG LYS 11 1.207 6.505 -2.395 52 HD2 LYS 11 1HD LYS 11 0.963 4.661 -4.714 53 HD3 LYS 11 2HD LYS 11 -0.430 5.664 -4.303 54 HE2 LYS 11 1HE LYS 11 0.987 7.661 -4.423 55 HE3 LYS 11 2HE LYS 11 2.370 6.652 -4.846 56 HZ1 LYS 11 3HZ LYS 11 0.019 7.353 -6.460 57 HZ2 LYS 11 1HZ LYS 11 0.798 5.879 -6.749 58 HZ3 LYS 11 2HZ LYS 11 1.654 7.330 -6.896 59 HA PRO 12 HA PRO 12 7.155 5.417 -1.009 60 HB2 PRO 12 1HB PRO 12 6.702 6.796 1.285 61 HB3 PRO 12 2HB PRO 12 7.100 7.584 -0.247 62 HG2 PRO 12 1HG PRO 12 4.428 7.198 1.048 63 HG3 PRO 12 2HG PRO 12 5.082 8.633 0.237 64 HD2 PRO 12 1HD PRO 12 3.350 6.939 -0.972 65 HD3 PRO 12 2HD PRO 12 4.609 7.816 -1.865 66 H TYR 13 H TYR 13 4.108 5.082 0.784 67 HA TYR 13 HA TYR 13 5.324 3.082 2.530 68 HB2 TYR 13 1HB TYR 13 2.509 4.183 2.600 69 HB3 TYR 13 2HB TYR 13 3.307 3.241 3.855 70 HD1 TYR 13 HD1 TYR 13 5.121 4.255 5.198 71 HD2 TYR 13 HD2 TYR 13 2.885 6.535 2.387 72 HE1 TYR 13 HE1 TYR 13 5.923 6.328 6.251 73 HE2 TYR 13 HE2 TYR 13 3.682 8.615 3.431 74 HH TYR 13 HH TYR 13 6.087 8.574 6.005 75 H SER 14 H SER 14 4.685 0.954 2.623 76 HA SER 14 HA SER 14 2.525 -0.038 0.994 77 HB2 SER 14 1HB SER 14 5.403 -0.541 0.249 78 HB3 SER 14 2HB SER 14 4.114 -1.652 -0.218 79 HG SER 14 HG SER 14 4.776 0.231 -1.668 80 H CYS 15 H CYS 15 1.854 -2.079 1.592 81 HA CYS 15 HA CYS 15 2.979 -3.059 4.095 82 HB2 CYS 15 1HB CYS 15 0.604 -2.815 4.118 83 HB3 CYS 15 2HB CYS 15 0.435 -3.687 2.598 84 H ASN 16 H ASN 16 3.699 -5.164 4.422 85 HA ASN 16 HA ASN 16 4.494 -6.567 1.965 86 HB2 ASN 16 1HB ASN 16 6.210 -7.662 3.399 87 HB3 ASN 16 2HB ASN 16 6.378 -5.910 3.336 88 HD21 ASN 16 1HD2 ASN 16 7.568 -7.320 5.328 89 HD22 ASN 16 2HD2 ASN 16 6.776 -7.005 6.831 90 H VAL 17 H VAL 17 2.811 -6.918 5.005 91 HA VAL 17 HA VAL 17 2.590 -9.649 5.264 92 HB VAL 17 HB VAL 17 0.453 -7.580 5.789 93 HG11 VAL 17 1HG1 VAL 17 -0.320 -9.356 7.460 94 HG12 VAL 17 2HG1 VAL 17 -0.692 -9.623 5.756 95 HG13 VAL 17 3HG1 VAL 17 0.647 -10.487 6.513 96 HG21 VAL 17 3HG2 VAL 17 2.060 -6.934 7.254 97 HG22 VAL 17 1HG2 VAL 17 1.373 -8.248 8.209 98 HG23 VAL 17 2HG2 VAL 17 2.840 -8.516 7.267 99 H CYS 18 H CYS 18 0.257 -7.552 3.561 100 HA CYS 18 HA CYS 18 -0.613 -9.912 2.032 101 HB2 CYS 18 1HB CYS 18 -2.732 -8.842 1.722 102 HB3 CYS 18 2HB CYS 18 -2.327 -8.712 3.431 103 H GLY 19 H GLY 19 0.549 -6.616 1.797 104 HA2 GLY 19 1HA GLY 19 1.917 -5.965 -0.069 105 HA3 GLY 19 2HA GLY 19 0.986 -7.059 -1.081 106 H LYS 20 H LYS 20 0.790 -4.037 0.749 107 HA LYS 20 HA LYS 20 -1.172 -3.081 -1.227 108 HB2 LYS 20 1HB LYS 20 -1.980 -3.626 1.225 109 HB3 LYS 20 2HB LYS 20 -1.255 -2.065 1.584 110 HG2 LYS 20 1HG LYS 20 -2.808 -0.905 0.367 111 HG3 LYS 20 2HG LYS 20 -3.148 -2.268 -0.702 112 HD2 LYS 20 1HD LYS 20 -4.113 -3.389 1.417 113 HD3 LYS 20 2HD LYS 20 -4.141 -1.753 2.079 114 HE2 LYS 20 1HE LYS 20 -5.487 -2.659 -0.465 115 HE3 LYS 20 2HE LYS 20 -6.289 -2.353 1.075 116 HZ1 LYS 20 3HZ LYS 20 -6.248 -0.155 0.746 117 HZ2 LYS 20 1HZ LYS 20 -6.002 -0.539 -0.883 118 HZ3 LYS 20 2HZ LYS 20 -4.683 -0.159 0.105 119 H ALA 21 H ALA 21 -1.379 -0.545 -0.887 120 HA ALA 21 HA ALA 21 1.247 0.644 -0.387 121 HB1 ALA 21 3HB ALA 21 1.723 0.950 -2.530 122 HB2 ALA 21 1HB ALA 21 0.224 0.142 -2.992 123 HB3 ALA 21 2HB ALA 21 0.241 1.886 -2.725 124 H PHE 22 H PHE 22 1.182 2.739 0.325 125 HA PHE 22 HA PHE 22 -1.406 4.114 0.347 126 HB2 PHE 22 1HB PHE 22 0.336 3.929 2.807 127 HB3 PHE 22 2HB PHE 22 -1.283 4.610 2.686 128 HD1 PHE 22 HD2 PHE 22 0.607 1.431 2.387 129 HD2 PHE 22 HD1 PHE 22 -3.154 3.292 3.101 130 HE1 PHE 22 HE2 PHE 22 -0.350 -0.748 3.011 131 HE2 PHE 22 HE1 PHE 22 -4.116 1.116 3.727 132 HZ PHE 22 HZ PHE 22 -2.714 -0.908 3.682 133 H VAL 23 H VAL 23 -1.291 6.374 0.483 134 HA VAL 23 HA VAL 23 1.098 7.505 -0.626 135 HB VAL 23 HB VAL 23 -1.405 8.891 0.345 136 HG11 VAL 23 1HG1 VAL 23 -0.167 10.735 0.098 137 HG12 VAL 23 2HG1 VAL 23 1.118 9.867 -0.745 138 HG13 VAL 23 3HG1 VAL 23 -0.296 10.433 -1.635 139 HG21 VAL 23 3HG2 VAL 23 -1.081 8.812 -2.506 140 HG22 VAL 23 1HG2 VAL 23 -1.036 7.177 -1.846 141 HG23 VAL 23 2HG2 VAL 23 -2.418 8.223 -1.518 142 H LEU 24 H LEU 24 -0.614 7.796 2.469 143 HA LEU 24 HA LEU 24 1.709 9.230 3.561 144 HB2 LEU 24 1HB LEU 24 -1.043 8.981 4.760 145 HB3 LEU 24 2HB LEU 24 0.263 10.034 5.302 146 HG LEU 24 HG LEU 24 -1.082 10.313 2.620 147 HD11 LEU 24 1HD1 LEU 24 -2.054 12.388 3.926 148 HD12 LEU 24 2HD1 LEU 24 -1.864 11.310 5.308 149 HD13 LEU 24 3HD1 LEU 24 -2.869 10.824 3.942 150 HD21 LEU 24 3HD2 LEU 24 0.713 11.619 2.313 151 HD22 LEU 24 1HD2 LEU 24 1.101 11.659 4.033 152 HD23 LEU 24 2HD2 LEU 24 -0.120 12.751 3.379 153 H SER 25 H SER 25 1.869 8.787 6.066 154 HA SER 25 HA SER 25 2.485 5.980 6.306 155 HB2 SER 25 1HB SER 25 4.037 7.665 7.191 156 HB3 SER 25 2HB SER 25 2.793 8.237 8.302 157 HG SER 25 HG SER 25 2.855 5.778 8.862 158 H ALA 26 H ALA 26 0.341 8.283 7.954 159 HA ALA 26 HA ALA 26 -0.755 6.625 9.869 160 HB1 ALA 26 3HB ALA 26 -2.406 8.210 10.147 161 HB2 ALA 26 1HB ALA 26 -1.139 9.150 9.360 162 HB3 ALA 26 2HB ALA 26 -2.511 8.559 8.422 163 H HIS 27 H HIS 27 -1.802 7.074 6.505 164 HA HIS 27 HA HIS 27 -4.058 5.453 6.542 165 HB2 HIS 27 1HB HIS 27 -2.103 6.167 4.371 166 HB3 HIS 27 2HB HIS 27 -3.453 5.081 4.052 167 HD2 HIS 27 HD2 HIS 27 -5.264 7.255 6.218 168 HE1 HIS 27 HE1 HIS 27 -5.052 9.559 2.662 169 HE2 HIS 27 HE2 HIS 27 -6.134 9.319 4.924 170 H LEU 28 H LEU 28 -0.692 4.571 5.818 171 HA LEU 28 HA LEU 28 -1.174 1.849 5.305 172 HB2 LEU 28 1HB LEU 28 0.880 2.715 4.581 173 HB3 LEU 28 2HB LEU 28 1.251 3.389 6.167 174 HG LEU 28 HG LEU 28 1.565 1.082 7.022 175 HD11 LEU 28 1HD1 LEU 28 1.202 0.341 4.124 176 HD12 LEU 28 2HD1 LEU 28 0.172 -0.134 5.474 177 HD13 LEU 28 3HD1 LEU 28 1.827 -0.735 5.374 178 HD21 LEU 28 3HD2 LEU 28 3.747 0.985 6.345 179 HD22 LEU 28 1HD2 LEU 28 3.348 2.631 5.852 180 HD23 LEU 28 2HD2 LEU 28 3.357 1.331 4.660 181 H ASN 29 H ASN 29 -0.092 3.489 8.273 182 HA ASN 29 HA ASN 29 0.193 1.308 9.931 183 HB2 ASN 29 1HB ASN 29 -0.543 4.166 10.385 184 HB3 ASN 29 2HB ASN 29 -0.709 3.040 11.729 185 HD21 ASN 29 1HD2 ASN 29 1.491 4.633 9.575 186 HD22 ASN 29 2HD2 ASN 29 2.937 4.245 10.437 187 H GLN 30 H GLN 30 -2.764 3.213 9.382 188 HA GLN 30 HA GLN 30 -4.488 1.885 11.069 189 HB2 GLN 30 1HB GLN 30 -4.849 3.333 8.483 190 HB3 GLN 30 2HB GLN 30 -6.212 2.439 9.143 191 HG2 GLN 30 1HG GLN 30 -4.688 4.473 10.740 192 HG3 GLN 30 2HG GLN 30 -6.066 4.893 9.724 193 HE21 GLN 30 1HE2 GLN 30 -8.078 4.558 10.466 194 HE22 GLN 30 2HE2 GLN 30 -8.454 3.841 11.992 195 H HIS 31 H HIS 31 -3.576 1.024 7.757 196 HA HIS 31 HA HIS 31 -5.314 -1.143 7.425 197 HB2 HIS 31 1HB HIS 31 -4.207 -0.312 5.496 198 HB3 HIS 31 2HB HIS 31 -2.618 -0.514 6.229 199 HD1 HIS 31 HD1 HIS 31 -5.519 -2.770 5.216 200 HD2 HIS 31 HD2 HIS 31 -1.366 -2.739 5.356 201 HE1 HIS 31 HE1 HIS 31 -4.796 -4.953 4.199 202 H LEU 32 H LEU 32 -1.963 -1.064 8.611 203 HA LEU 32 HA LEU 32 -1.337 -3.658 8.943 204 HB2 LEU 32 1HB LEU 32 -0.987 -1.513 11.032 205 HB3 LEU 32 2HB LEU 32 -0.116 -3.044 10.991 206 HG LEU 32 HG LEU 32 0.069 -0.916 8.861 207 HD11 LEU 32 1HD1 LEU 32 2.300 -1.535 10.722 208 HD12 LEU 32 2HD1 LEU 32 0.991 -0.506 11.300 209 HD13 LEU 32 3HD1 LEU 32 1.914 -0.039 9.873 210 HD21 LEU 32 3HD2 LEU 32 2.216 -2.304 8.425 211 HD22 LEU 32 1HD2 LEU 32 0.667 -2.895 7.824 212 HD23 LEU 32 2HD2 LEU 32 1.360 -3.579 9.295 213 H ARG 33 H ARG 33 -3.818 -1.935 10.671 214 HA ARG 33 HA ARG 33 -4.238 -3.515 12.885 215 HB2 ARG 33 1HB ARG 33 -6.178 -2.054 11.104 216 HB3 ARG 33 2HB ARG 33 -6.706 -2.905 12.549 217 HG2 ARG 33 1HG ARG 33 -4.879 -1.483 13.732 218 HG3 ARG 33 2HG ARG 33 -5.024 -0.455 12.304 219 HD2 ARG 33 1HD ARG 33 -6.496 0.384 14.002 220 HD3 ARG 33 2HD ARG 33 -7.470 -0.326 12.715 221 HE ARG 33 HE ARG 33 -8.168 -1.969 14.176 222 HH11 ARG 33 1HH1 ARG 33 -5.594 -0.110 15.605 223 HH12 ARG 33 2HH1 ARG 33 -5.815 -0.778 17.188 224 HH21 ARG 33 1HH2 ARG 33 -8.469 -2.855 16.256 225 HH22 ARG 33 2HH2 ARG 33 -7.450 -2.340 17.557 226 H VAL 34 H VAL 34 -5.603 -3.981 9.631 227 HA VAL 34 HA VAL 34 -7.127 -6.231 10.079 228 HB VAL 34 HB VAL 34 -6.762 -6.815 7.706 229 HG11 VAL 34 1HG1 VAL 34 -7.660 -4.747 6.757 230 HG12 VAL 34 2HG1 VAL 34 -8.413 -5.123 8.308 231 HG13 VAL 34 3HG1 VAL 34 -7.176 -3.869 8.207 232 HG21 VAL 34 3HG2 VAL 34 -5.171 -4.475 7.050 233 HG22 VAL 34 1HG2 VAL 34 -4.295 -5.623 8.063 234 HG23 VAL 34 2HG2 VAL 34 -4.985 -6.150 6.529 235 H HIS 35 H HIS 35 -3.706 -5.927 10.137 236 HA HIS 35 HA HIS 35 -3.367 -8.845 10.044 237 HB2 HIS 35 1HB HIS 35 -1.231 -6.707 9.933 238 HB3 HIS 35 2HB HIS 35 -1.008 -8.432 9.660 239 HD1 HIS 35 HD1 HIS 35 -3.211 -9.041 7.677 240 HD2 HIS 35 HD2 HIS 35 -0.861 -5.620 7.482 241 HE1 HIS 35 HE1 HIS 35 -3.327 -8.282 5.282 242 H THR 36 H THR 36 -1.683 -6.214 11.757 243 HA THR 36 HA THR 36 -0.759 -6.181 13.857 244 HB THR 36 HB THR 36 -3.093 -5.522 14.296 245 HG1 THR 36 HG1 THR 36 -1.592 -6.980 16.177 246 HG21 THR 36 3HG2 THR 36 -3.461 -8.487 14.660 247 HG22 THR 36 1HG2 THR 36 -4.371 -7.389 13.623 248 HG23 THR 36 2HG2 THR 36 -4.559 -7.307 15.375 249 H GLN 37 H GLN 37 -0.230 -8.622 12.431 250 HA GLN 37 HA GLN 37 0.036 -10.459 14.716 251 HB2 GLN 37 1HB GLN 37 -0.850 -10.999 11.918 252 HB3 GLN 37 2HB GLN 37 0.088 -12.232 12.750 253 HG2 GLN 37 1HG GLN 37 -2.254 -11.055 14.147 254 HG3 GLN 37 2HG GLN 37 -2.537 -12.201 12.838 255 HE21 GLN 37 1HE2 GLN 37 -2.485 -14.286 13.309 256 HE22 GLN 37 2HE2 GLN 37 -1.852 -14.978 14.759 257 H GLU 38 H GLU 38 1.857 -12.017 14.458 258 HA GLU 38 HA GLU 38 4.027 -11.036 12.758 259 HB2 GLU 38 1HB GLU 38 4.232 -11.403 15.751 260 HB3 GLU 38 2HB GLU 38 5.610 -11.172 14.683 261 HG2 GLU 38 1HG GLU 38 4.473 -9.005 13.969 262 HG3 GLU 38 2HG GLU 38 3.440 -9.227 15.380 263 H THR 39 H THR 39 5.988 -12.564 12.998 264 HA THR 39 HA THR 39 5.048 -15.337 13.319 265 HB THR 39 HB THR 39 5.169 -14.797 10.922 266 HG1 THR 39 HG1 THR 39 7.401 -16.443 11.369 267 HG21 THR 39 3HG2 THR 39 7.237 -14.222 9.847 268 HG22 THR 39 1HG2 THR 39 8.123 -14.363 11.365 269 HG23 THR 39 2HG2 THR 39 6.954 -13.061 11.144 270 H LEU 40 H LEU 40 6.220 -16.436 14.737 271 HA LEU 40 HA LEU 40 8.716 -15.369 15.718 272 HB2 LEU 40 1HB LEU 40 6.771 -16.625 16.979 273 HB3 LEU 40 2HB LEU 40 7.697 -18.051 16.514 274 HG LEU 40 HG LEU 40 8.144 -17.201 18.824 275 HD11 LEU 40 1HD1 LEU 40 10.728 -17.103 18.365 276 HD12 LEU 40 2HD1 LEU 40 10.235 -17.577 16.739 277 HD13 LEU 40 3HD1 LEU 40 9.817 -18.593 18.118 278 HD21 LEU 40 3HD2 LEU 40 9.247 -15.187 19.214 279 HD22 LEU 40 1HD2 LEU 40 8.027 -14.763 18.013 280 HD23 LEU 40 2HD2 LEU 40 9.704 -14.997 17.521 281 H SER 41 H SER 41 10.058 -15.569 13.877 282 HA SER 41 HA SER 41 10.992 -18.322 13.413 283 HB2 SER 41 1HB SER 41 9.631 -17.123 11.506 284 HB3 SER 41 2HB SER 41 11.156 -16.285 11.222 285 HG SER 41 HG SER 41 11.246 -19.055 11.505 286 H GLY 42 H GLY 42 12.075 -16.614 15.331 287 HA2 GLY 42 1HA GLY 42 14.757 -16.221 14.197 288 HA3 GLY 42 2HA GLY 42 14.011 -14.901 15.084 289 HA PRO 43 HA PRO 43 16.098 -18.248 17.858 290 HB2 PRO 43 1HB PRO 43 18.663 -17.363 17.936 291 HB3 PRO 43 2HB PRO 43 18.097 -18.568 16.773 292 HG2 PRO 43 1HG PRO 43 18.517 -15.627 16.401 293 HG3 PRO 43 2HG PRO 43 18.942 -16.964 15.316 294 HD2 PRO 43 1HD PRO 43 16.739 -15.434 14.948 295 HD3 PRO 43 2HD PRO 43 16.795 -17.151 14.499 296 H SER 44 H SER 44 16.112 -17.846 20.003 297 HA SER 44 HA SER 44 15.260 -15.534 21.138 298 HB2 SER 44 1HB SER 44 15.421 -17.633 22.384 299 HB3 SER 44 2HB SER 44 17.181 -17.519 22.379 300 HG SER 44 HG SER 44 16.935 -15.544 23.569 301 H SER 45 H SER 45 16.073 -13.575 20.709 302 HA SER 45 HA SER 45 18.762 -12.974 21.626 303 HB2 SER 45 1HB SER 45 18.747 -13.599 19.089 304 HB3 SER 45 2HB SER 45 18.030 -12.001 18.881 305 HG SER 45 HG SER 45 20.060 -11.416 18.874 306 H GLY 46 H GLY 46 19.178 -10.536 21.406 307 HA2 GLY 46 1HA GLY 46 18.467 -8.333 21.617 308 HA3 GLY 46 2HA GLY 46 16.819 -8.867 21.319 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -16.101 9.288 -19.501 2 HA2 GLY 1 1HA GLY 1 -15.153 7.234 -17.887 3 HA3 GLY 1 2HA GLY 1 -14.201 8.061 -19.110 4 H SER 2 H SER 2 -12.655 7.307 -17.237 5 HA SER 2 HA SER 2 -12.565 9.008 -14.934 6 HB2 SER 2 1HB SER 2 -11.579 6.581 -15.339 7 HB3 SER 2 2HB SER 2 -10.158 7.492 -15.850 8 HG SER 2 HG SER 2 -10.740 8.658 -13.689 9 H SER 3 H SER 3 -10.798 10.456 -14.416 10 HA SER 3 HA SER 3 -9.804 11.860 -16.807 11 HB2 SER 3 1HB SER 3 -11.413 12.987 -15.067 12 HB3 SER 3 2HB SER 3 -9.944 13.157 -14.107 13 HG SER 3 HG SER 3 -10.657 14.373 -16.514 14 H GLY 4 H GLY 4 -7.681 12.769 -16.741 15 HA2 GLY 4 1HA GLY 4 -5.580 13.062 -15.540 16 HA3 GLY 4 2HA GLY 4 -5.913 11.545 -14.718 17 H SER 5 H SER 5 -4.393 13.030 -17.358 18 HA SER 5 HA SER 5 -4.043 10.483 -18.769 19 HB2 SER 5 1HB SER 5 -3.054 11.892 -20.577 20 HB3 SER 5 2HB SER 5 -4.720 12.327 -20.192 21 HG SER 5 HG SER 5 -2.709 13.659 -18.805 22 H SER 6 H SER 6 -2.316 12.936 -16.978 23 HA SER 6 HA SER 6 0.057 11.203 -16.999 24 HB2 SER 6 1HB SER 6 0.202 13.302 -18.522 25 HB3 SER 6 2HB SER 6 0.343 14.197 -17.009 26 HG SER 6 HG SER 6 2.306 13.185 -18.240 27 H GLY 7 H GLY 7 -0.648 10.457 -14.944 28 HA2 GLY 7 1HA GLY 7 0.324 12.083 -12.772 29 HA3 GLY 7 2HA GLY 7 -1.416 11.841 -12.734 30 H THR 8 H THR 8 1.244 9.655 -13.624 31 HA THR 8 HA THR 8 0.223 7.767 -11.605 32 HB THR 8 HB THR 8 1.355 5.996 -12.986 33 HG1 THR 8 HG1 THR 8 2.751 7.020 -14.300 34 HG21 THR 8 3HG2 THR 8 -1.134 6.987 -13.196 35 HG22 THR 8 1HG2 THR 8 -0.548 5.642 -14.172 36 HG23 THR 8 2HG2 THR 8 -0.564 7.274 -14.839 37 H GLY 9 H GLY 9 1.871 6.299 -10.660 38 HA2 GLY 9 1HA GLY 9 4.619 6.722 -10.768 39 HA3 GLY 9 2HA GLY 9 3.993 7.793 -9.524 40 H GLU 10 H GLU 10 4.997 6.752 -7.823 41 HA GLU 10 HA GLU 10 3.776 4.196 -7.073 42 HB2 GLU 10 1HB GLU 10 5.960 3.651 -8.037 43 HB3 GLU 10 2HB GLU 10 6.738 4.786 -6.943 44 HG2 GLU 10 1HG GLU 10 6.954 2.420 -6.257 45 HG3 GLU 10 2HG GLU 10 6.187 3.446 -5.047 46 H LYS 11 H LYS 11 3.405 3.934 -4.905 47 HA LYS 11 HA LYS 11 3.521 6.336 -3.301 48 HB2 LYS 11 1HB LYS 11 2.231 3.656 -3.050 49 HB3 LYS 11 2HB LYS 11 2.483 4.601 -1.588 50 HG2 LYS 11 1HG LYS 11 0.297 5.077 -2.339 51 HG3 LYS 11 2HG LYS 11 1.281 6.490 -2.727 52 HD2 LYS 11 1HD LYS 11 1.325 5.975 -5.010 53 HD3 LYS 11 2HD LYS 11 0.828 4.304 -4.734 54 HE2 LYS 11 1HE LYS 11 -0.901 6.726 -4.238 55 HE3 LYS 11 2HE LYS 11 -0.968 5.721 -5.685 56 HZ1 LYS 11 3HZ LYS 11 -1.569 3.833 -4.300 57 HZ2 LYS 11 1HZ LYS 11 -2.676 5.097 -4.101 58 HZ3 LYS 11 2HZ LYS 11 -1.509 4.800 -2.913 59 HA PRO 12 HA PRO 12 7.233 5.398 -1.129 60 HB2 PRO 12 1HB PRO 12 6.786 6.834 1.131 61 HB3 PRO 12 2HB PRO 12 7.192 7.582 -0.418 62 HG2 PRO 12 1HG PRO 12 4.515 7.247 0.880 63 HG3 PRO 12 2HG PRO 12 5.181 8.658 0.037 64 HD2 PRO 12 1HD PRO 12 3.439 6.948 -1.136 65 HD3 PRO 12 2HD PRO 12 4.707 7.795 -2.047 66 H TYR 13 H TYR 13 4.155 5.066 0.594 67 HA TYR 13 HA TYR 13 5.355 3.142 2.436 68 HB2 TYR 13 1HB TYR 13 2.532 4.225 2.392 69 HB3 TYR 13 2HB TYR 13 3.280 3.296 3.686 70 HD1 TYR 13 HD1 TYR 13 5.118 4.322 5.029 71 HD2 TYR 13 HD2 TYR 13 2.846 6.573 2.223 72 HE1 TYR 13 HE1 TYR 13 5.885 6.405 6.088 73 HE2 TYR 13 HE2 TYR 13 3.607 8.662 3.274 74 HH TYR 13 HH TYR 13 4.505 9.468 5.328 75 H SER 14 H SER 14 4.575 1.028 2.685 76 HA SER 14 HA SER 14 2.529 -0.046 1.003 77 HB2 SER 14 1HB SER 14 4.022 -1.601 -0.257 78 HB3 SER 14 2HB SER 14 4.252 0.091 -0.697 79 HG SER 14 HG SER 14 5.889 -1.513 0.968 80 H CYS 15 H CYS 15 1.981 -2.184 1.538 81 HA CYS 15 HA CYS 15 3.086 -3.063 4.104 82 HB2 CYS 15 1HB CYS 15 0.733 -2.828 4.225 83 HB3 CYS 15 2HB CYS 15 0.494 -3.631 2.676 84 H ASN 16 H ASN 16 3.757 -5.190 4.461 85 HA ASN 16 HA ASN 16 4.519 -6.630 2.014 86 HB2 ASN 16 1HB ASN 16 6.135 -7.810 3.621 87 HB3 ASN 16 2HB ASN 16 6.471 -6.124 3.236 88 HD21 ASN 16 1HD2 ASN 16 7.545 -5.578 5.056 89 HD22 ASN 16 2HD2 ASN 16 6.838 -5.570 6.632 90 H VAL 17 H VAL 17 2.739 -6.877 4.984 91 HA VAL 17 HA VAL 17 2.496 -9.613 5.312 92 HB VAL 17 HB VAL 17 0.345 -7.536 5.748 93 HG11 VAL 17 1HG1 VAL 17 -0.704 -9.652 5.791 94 HG12 VAL 17 2HG1 VAL 17 0.630 -10.380 6.688 95 HG13 VAL 17 3HG1 VAL 17 -0.433 -9.213 7.477 96 HG21 VAL 17 3HG2 VAL 17 2.717 -8.398 7.326 97 HG22 VAL 17 1HG2 VAL 17 2.016 -6.792 7.124 98 HG23 VAL 17 2HG2 VAL 17 1.243 -7.964 8.191 99 H CYS 18 H CYS 18 0.209 -7.511 3.550 100 HA CYS 18 HA CYS 18 -0.658 -9.880 2.033 101 HB2 CYS 18 1HB CYS 18 -2.755 -8.720 1.636 102 HB3 CYS 18 2HB CYS 18 -2.418 -8.751 3.363 103 H GLY 19 H GLY 19 0.465 -6.564 1.779 104 HA2 GLY 19 1HA GLY 19 1.880 -5.957 -0.083 105 HA3 GLY 19 2HA GLY 19 0.927 -7.032 -1.095 106 H LYS 20 H LYS 20 0.678 -4.061 0.834 107 HA LYS 20 HA LYS 20 -1.232 -3.047 -1.168 108 HB2 LYS 20 1HB LYS 20 -2.012 -3.588 1.306 109 HB3 LYS 20 2HB LYS 20 -1.293 -2.016 1.633 110 HG2 LYS 20 1HG LYS 20 -2.842 -0.890 0.344 111 HG3 LYS 20 2HG LYS 20 -3.249 -2.323 -0.602 112 HD2 LYS 20 1HD LYS 20 -4.173 -3.277 1.588 113 HD3 LYS 20 2HD LYS 20 -4.078 -1.625 2.200 114 HE2 LYS 20 1HE LYS 20 -6.239 -1.698 1.409 115 HE3 LYS 20 2HE LYS 20 -5.380 -1.043 0.016 116 HZ1 LYS 20 3HZ LYS 20 -5.949 -2.795 -1.198 117 HZ2 LYS 20 1HZ LYS 20 -6.985 -3.267 0.054 118 HZ3 LYS 20 2HZ LYS 20 -5.414 -3.889 -0.024 119 H ALA 21 H ALA 21 -1.391 -0.528 -0.898 120 HA ALA 21 HA ALA 21 1.243 0.637 -0.367 121 HB1 ALA 21 3HB ALA 21 0.874 1.967 -2.569 122 HB2 ALA 21 1HB ALA 21 1.542 0.335 -2.637 123 HB3 ALA 21 2HB ALA 21 -0.162 0.608 -3.005 124 H PHE 22 H PHE 22 1.209 2.779 0.250 125 HA PHE 22 HA PHE 22 -1.348 4.194 0.232 126 HB2 PHE 22 1HB PHE 22 0.280 3.993 2.763 127 HB3 PHE 22 2HB PHE 22 -1.339 4.655 2.568 128 HD1 PHE 22 HD2 PHE 22 0.622 1.519 2.485 129 HD2 PHE 22 HD1 PHE 22 -3.236 3.295 2.778 130 HE1 PHE 22 HE2 PHE 22 -0.338 -0.669 3.071 131 HE2 PHE 22 HE1 PHE 22 -4.201 1.109 3.365 132 HZ PHE 22 HZ PHE 22 -2.752 -0.877 3.511 133 H VAL 23 H VAL 23 -1.163 6.471 0.535 134 HA VAL 23 HA VAL 23 1.315 7.530 -0.501 135 HB VAL 23 HB VAL 23 -1.218 8.971 0.297 136 HG11 VAL 23 1HG1 VAL 23 1.071 9.946 -1.405 137 HG12 VAL 23 2HG1 VAL 23 -0.363 10.856 -0.926 138 HG13 VAL 23 3HG1 VAL 23 0.826 10.379 0.287 139 HG21 VAL 23 3HG2 VAL 23 -2.075 8.548 -1.736 140 HG22 VAL 23 1HG2 VAL 23 -0.515 8.728 -2.539 141 HG23 VAL 23 2HG2 VAL 23 -0.933 7.205 -1.754 142 H LEU 24 H LEU 24 -0.586 7.855 2.477 143 HA LEU 24 HA LEU 24 1.670 9.275 3.713 144 HB2 LEU 24 1HB LEU 24 -1.118 8.974 4.804 145 HB3 LEU 24 2HB LEU 24 0.141 10.076 5.359 146 HG LEU 24 HG LEU 24 -1.086 10.279 2.620 147 HD11 LEU 24 1HD1 LEU 24 -2.115 12.331 4.171 148 HD12 LEU 24 2HD1 LEU 24 -2.277 10.896 5.182 149 HD13 LEU 24 3HD1 LEU 24 -2.989 10.922 3.569 150 HD21 LEU 24 3HD2 LEU 24 1.120 11.483 3.766 151 HD22 LEU 24 1HD2 LEU 24 -0.157 12.686 3.948 152 HD23 LEU 24 2HD2 LEU 24 0.236 12.052 2.349 153 H SER 25 H SER 25 1.892 8.786 6.134 154 HA SER 25 HA SER 25 2.429 5.977 6.391 155 HB2 SER 25 1HB SER 25 4.048 7.428 7.356 156 HB3 SER 25 2HB SER 25 2.817 8.336 8.235 157 HG SER 25 HG SER 25 3.203 5.583 8.706 158 H ALA 26 H ALA 26 0.230 8.286 7.939 159 HA ALA 26 HA ALA 26 -0.902 6.648 9.859 160 HB1 ALA 26 3HB ALA 26 -2.450 8.682 8.271 161 HB2 ALA 26 1HB ALA 26 -2.724 8.164 9.934 162 HB3 ALA 26 2HB ALA 26 -1.293 9.112 9.530 163 H HIS 27 H HIS 27 -1.687 6.931 6.427 164 HA HIS 27 HA HIS 27 -4.008 5.366 6.408 165 HB2 HIS 27 1HB HIS 27 -1.925 5.891 4.289 166 HB3 HIS 27 2HB HIS 27 -3.381 4.952 3.975 167 HD2 HIS 27 HD2 HIS 27 -5.271 7.158 5.814 168 HE1 HIS 27 HE1 HIS 27 -4.228 9.697 2.579 169 HE2 HIS 27 HE2 HIS 27 -5.735 9.379 4.572 170 H LEU 28 H LEU 28 -0.606 4.452 5.997 171 HA LEU 28 HA LEU 28 -1.102 1.704 5.528 172 HB2 LEU 28 1HB LEU 28 0.982 2.562 4.838 173 HB3 LEU 28 2HB LEU 28 1.315 3.241 6.429 174 HG LEU 28 HG LEU 28 1.513 0.899 7.293 175 HD11 LEU 28 1HD1 LEU 28 0.266 -0.303 5.642 176 HD12 LEU 28 2HD1 LEU 28 1.938 -0.858 5.585 177 HD13 LEU 28 3HD1 LEU 28 1.337 0.254 4.356 178 HD21 LEU 28 3HD2 LEU 28 3.725 0.493 6.066 179 HD22 LEU 28 1HD2 LEU 28 3.539 2.010 6.945 180 HD23 LEU 28 2HD2 LEU 28 3.361 1.980 5.191 181 H ASN 29 H ASN 29 -0.336 3.551 8.450 182 HA ASN 29 HA ASN 29 -0.024 1.445 10.236 183 HB2 ASN 29 1HB ASN 29 0.545 3.449 11.204 184 HB3 ASN 29 2HB ASN 29 -0.813 4.306 10.483 185 HD21 ASN 29 1HD2 ASN 29 -2.628 4.580 11.632 186 HD22 ASN 29 2HD2 ASN 29 -2.892 3.945 13.217 187 H GLN 30 H GLN 30 -2.991 3.278 9.501 188 HA GLN 30 HA GLN 30 -4.732 1.863 11.139 189 HB2 GLN 30 1HB GLN 30 -5.033 3.524 8.691 190 HB3 GLN 30 2HB GLN 30 -6.401 2.523 9.159 191 HG2 GLN 30 1HG GLN 30 -5.056 4.609 10.860 192 HG3 GLN 30 2HG GLN 30 -6.622 4.754 10.064 193 HE21 GLN 30 1HE2 GLN 30 -8.270 3.157 10.709 194 HE22 GLN 30 2HE2 GLN 30 -8.315 2.655 12.361 195 H HIS 31 H HIS 31 -3.400 1.038 8.027 196 HA HIS 31 HA HIS 31 -5.238 -1.063 7.435 197 HB2 HIS 31 1HB HIS 31 -4.079 -0.111 5.591 198 HB3 HIS 31 2HB HIS 31 -2.512 -0.345 6.361 199 HD1 HIS 31 HD1 HIS 31 -5.337 -2.439 4.924 200 HD2 HIS 31 HD2 HIS 31 -1.246 -2.630 5.621 201 HE1 HIS 31 HE1 HIS 31 -4.575 -4.590 3.867 202 H LEU 32 H LEU 32 -1.912 -1.007 8.698 203 HA LEU 32 HA LEU 32 -1.280 -3.611 8.933 204 HB2 LEU 32 1HB LEU 32 -0.956 -1.496 11.054 205 HB3 LEU 32 2HB LEU 32 -0.142 -3.058 11.080 206 HG LEU 32 HG LEU 32 0.214 -1.024 8.884 207 HD11 LEU 32 1HD1 LEU 32 0.969 -0.474 11.356 208 HD12 LEU 32 2HD1 LEU 32 1.986 -0.087 9.968 209 HD13 LEU 32 3HD1 LEU 32 2.312 -1.533 10.923 210 HD21 LEU 32 3HD2 LEU 32 0.690 -3.460 8.432 211 HD22 LEU 32 1HD2 LEU 32 1.966 -3.349 9.645 212 HD23 LEU 32 2HD2 LEU 32 2.045 -2.355 8.190 213 H ARG 33 H ARG 33 -3.797 -1.969 10.685 214 HA ARG 33 HA ARG 33 -4.251 -3.599 12.842 215 HB2 ARG 33 1HB ARG 33 -6.116 -2.092 11.037 216 HB3 ARG 33 2HB ARG 33 -6.754 -3.076 12.347 217 HG2 ARG 33 1HG ARG 33 -5.108 -1.747 13.831 218 HG3 ARG 33 2HG ARG 33 -5.080 -0.606 12.486 219 HD2 ARG 33 1HD ARG 33 -6.802 0.267 13.711 220 HD3 ARG 33 2HD ARG 33 -7.696 -0.843 12.674 221 HE ARG 33 HE ARG 33 -6.848 -1.993 15.173 222 HH11 ARG 33 1HH1 ARG 33 -9.335 -0.196 13.528 223 HH12 ARG 33 2HH1 ARG 33 -10.581 -0.648 14.644 224 HH21 ARG 33 1HH2 ARG 33 -8.479 -2.595 16.649 225 HH22 ARG 33 2HH2 ARG 33 -10.093 -2.012 16.419 226 H VAL 34 H VAL 34 -5.662 -4.024 9.593 227 HA VAL 34 HA VAL 34 -7.061 -6.351 9.986 228 HB VAL 34 HB VAL 34 -6.855 -6.806 7.627 229 HG11 VAL 34 1HG1 VAL 34 -6.958 -4.120 6.969 230 HG12 VAL 34 2HG1 VAL 34 -8.315 -5.127 7.481 231 HG13 VAL 34 3HG1 VAL 34 -7.435 -4.160 8.666 232 HG21 VAL 34 3HG2 VAL 34 -5.112 -6.233 6.319 233 HG22 VAL 34 1HG2 VAL 34 -4.945 -4.642 7.062 234 HG23 VAL 34 2HG2 VAL 34 -4.262 -6.062 7.855 235 H HIS 35 H HIS 35 -3.669 -5.915 10.085 236 HA HIS 35 HA HIS 35 -3.217 -8.816 9.901 237 HB2 HIS 35 1HB HIS 35 -1.166 -6.597 9.778 238 HB3 HIS 35 2HB HIS 35 -0.881 -8.310 9.481 239 HD1 HIS 35 HD1 HIS 35 -3.088 -8.989 7.531 240 HD2 HIS 35 HD2 HIS 35 -0.891 -5.468 7.333 241 HE1 HIS 35 HE1 HIS 35 -3.279 -8.210 5.148 242 H THR 36 H THR 36 -4.397 -7.835 12.218 243 HA THR 36 HA THR 36 -2.253 -7.665 14.201 244 HB THR 36 HB THR 36 -4.152 -6.063 14.344 245 HG1 THR 36 HG1 THR 36 -3.193 -6.338 16.280 246 HG21 THR 36 3HG2 THR 36 -6.046 -7.250 13.654 247 HG22 THR 36 1HG2 THR 36 -6.271 -7.085 15.395 248 HG23 THR 36 2HG2 THR 36 -5.698 -8.610 14.721 249 H GLN 37 H GLN 37 -2.674 -10.147 12.817 250 HA GLN 37 HA GLN 37 -3.209 -12.367 13.151 251 HB2 GLN 37 1HB GLN 37 -1.051 -11.946 14.334 252 HB3 GLN 37 2HB GLN 37 -1.957 -11.715 15.823 253 HG2 GLN 37 1HG GLN 37 -2.542 -13.950 15.968 254 HG3 GLN 37 2HG GLN 37 -2.244 -14.241 14.255 255 HE21 GLN 37 1HE2 GLN 37 -0.982 -16.054 14.898 256 HE22 GLN 37 2HE2 GLN 37 0.640 -15.840 15.452 257 H GLU 38 H GLU 38 -5.471 -10.818 13.658 258 HA GLU 38 HA GLU 38 -6.828 -10.866 15.955 259 HB2 GLU 38 1HB GLU 38 -8.891 -11.269 14.721 260 HB3 GLU 38 2HB GLU 38 -7.826 -10.208 13.809 261 HG2 GLU 38 1HG GLU 38 -8.120 -13.165 13.333 262 HG3 GLU 38 2HG GLU 38 -8.950 -11.906 12.420 263 H THR 39 H THR 39 -6.271 -13.730 13.946 264 HA THR 39 HA THR 39 -6.616 -15.416 16.294 265 HB THR 39 HB THR 39 -8.154 -16.960 15.186 266 HG1 THR 39 HG1 THR 39 -7.422 -15.934 12.997 267 HG21 THR 39 3HG2 THR 39 -9.032 -14.092 15.413 268 HG22 THR 39 1HG2 THR 39 -9.265 -15.406 16.565 269 HG23 THR 39 2HG2 THR 39 -10.166 -15.393 15.049 270 H LEU 40 H LEU 40 -6.204 -17.803 15.609 271 HA LEU 40 HA LEU 40 -3.729 -17.789 14.067 272 HB2 LEU 40 1HB LEU 40 -3.529 -20.135 14.959 273 HB3 LEU 40 2HB LEU 40 -3.499 -18.843 16.157 274 HG LEU 40 HG LEU 40 -6.084 -20.217 15.586 275 HD11 LEU 40 1HD1 LEU 40 -3.845 -21.350 17.254 276 HD12 LEU 40 2HD1 LEU 40 -4.604 -22.086 15.843 277 HD13 LEU 40 3HD1 LEU 40 -5.523 -21.888 17.335 278 HD21 LEU 40 3HD2 LEU 40 -6.661 -18.850 17.241 279 HD22 LEU 40 1HD2 LEU 40 -4.981 -18.402 17.538 280 HD23 LEU 40 2HD2 LEU 40 -5.661 -19.832 18.314 281 H SER 41 H SER 41 -3.843 -18.196 11.967 282 HA SER 41 HA SER 41 -5.335 -20.497 11.022 283 HB2 SER 41 1HB SER 41 -7.062 -18.856 10.801 284 HB3 SER 41 2HB SER 41 -5.945 -17.683 10.104 285 HG SER 41 HG SER 41 -6.228 -18.564 8.219 286 H GLY 42 H GLY 42 -4.651 -21.249 8.980 287 HA2 GLY 42 1HA GLY 42 -3.347 -20.895 6.951 288 HA3 GLY 42 2HA GLY 42 -2.256 -19.898 7.902 289 HA PRO 43 HA PRO 43 -1.141 -24.589 7.841 290 HB2 PRO 43 1HB PRO 43 0.359 -24.759 5.585 291 HB3 PRO 43 2HB PRO 43 -1.376 -25.093 5.612 292 HG2 PRO 43 1HG PRO 43 0.062 -22.608 4.764 293 HG3 PRO 43 2HG PRO 43 -1.309 -23.426 3.992 294 HD2 PRO 43 1HD PRO 43 -1.610 -21.227 5.544 295 HD3 PRO 43 2HD PRO 43 -2.840 -22.504 5.447 296 H SER 44 H SER 44 0.531 -21.619 7.084 297 HA SER 44 HA SER 44 3.172 -22.480 7.565 298 HB2 SER 44 1HB SER 44 2.252 -20.249 6.533 299 HB3 SER 44 2HB SER 44 2.300 -19.683 8.202 300 HG SER 44 HG SER 44 4.289 -19.227 7.541 301 H SER 45 H SER 45 4.505 -22.210 9.391 302 HA SER 45 HA SER 45 3.558 -23.098 11.798 303 HB2 SER 45 1HB SER 45 6.000 -21.600 10.980 304 HB3 SER 45 2HB SER 45 5.661 -21.726 12.706 305 HG SER 45 HG SER 45 6.240 -23.747 10.848 306 H GLY 46 H GLY 46 2.406 -22.278 13.425 307 HA2 GLY 46 1HA GLY 46 2.475 -19.978 14.751 308 HA3 GLY 46 2HA GLY 46 1.631 -19.469 13.296 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -9.108 -11.866 -20.241 2 HA2 GLY 1 1HA GLY 1 -8.771 -9.723 -21.302 3 HA3 GLY 1 2HA GLY 1 -10.334 -9.221 -20.675 4 H SER 2 H SER 2 -7.173 -8.666 -20.350 5 HA SER 2 HA SER 2 -7.489 -7.461 -17.760 6 HB2 SER 2 1HB SER 2 -5.649 -9.827 -18.129 7 HB3 SER 2 2HB SER 2 -5.435 -8.652 -16.831 8 HG SER 2 HG SER 2 -7.860 -9.205 -16.541 9 H SER 3 H SER 3 -6.492 -5.570 -17.865 10 HA SER 3 HA SER 3 -3.926 -5.352 -19.246 11 HB2 SER 3 1HB SER 3 -5.520 -4.736 -20.968 12 HB3 SER 3 2HB SER 3 -6.333 -3.624 -19.867 13 HG SER 3 HG SER 3 -4.040 -3.285 -21.334 14 H GLY 4 H GLY 4 -2.747 -3.399 -18.707 15 HA2 GLY 4 1HA GLY 4 -2.717 -1.326 -17.374 16 HA3 GLY 4 2HA GLY 4 -3.669 -2.187 -16.174 17 H SER 5 H SER 5 -2.594 -2.951 -14.487 18 HA SER 5 HA SER 5 -0.891 -3.590 -13.120 19 HB2 SER 5 1HB SER 5 -0.087 -4.786 -15.751 20 HB3 SER 5 2HB SER 5 1.002 -4.899 -14.369 21 HG SER 5 HG SER 5 -0.622 -5.966 -13.229 22 H SER 6 H SER 6 -0.812 -0.948 -13.878 23 HA SER 6 HA SER 6 1.954 -0.332 -13.439 24 HB2 SER 6 1HB SER 6 2.184 1.134 -15.448 25 HB3 SER 6 2HB SER 6 2.072 -0.580 -15.847 26 HG SER 6 HG SER 6 0.728 0.868 -17.132 27 H GLY 7 H GLY 7 2.302 2.015 -13.140 28 HA2 GLY 7 1HA GLY 7 -0.041 3.692 -12.882 29 HA3 GLY 7 2HA GLY 7 0.661 3.196 -11.350 30 H THR 8 H THR 8 0.449 5.873 -12.225 31 HA THR 8 HA THR 8 3.186 6.614 -12.964 32 HB THR 8 HB THR 8 2.243 8.931 -13.166 33 HG1 THR 8 HG1 THR 8 -0.199 8.794 -13.376 34 HG21 THR 8 3HG2 THR 8 0.810 8.355 -15.204 35 HG22 THR 8 1HG2 THR 8 1.131 6.667 -14.807 36 HG23 THR 8 2HG2 THR 8 2.467 7.753 -15.192 37 H GLY 9 H GLY 9 4.500 6.688 -11.241 38 HA2 GLY 9 1HA GLY 9 5.406 7.765 -9.376 39 HA3 GLY 9 2HA GLY 9 3.860 8.559 -9.113 40 H GLU 10 H GLU 10 5.845 5.835 -8.368 41 HA GLU 10 HA GLU 10 3.890 4.222 -7.107 42 HB2 GLU 10 1HB GLU 10 5.723 2.967 -6.211 43 HB3 GLU 10 2HB GLU 10 6.150 3.444 -7.848 44 HG2 GLU 10 1HG GLU 10 7.038 4.983 -5.429 45 HG3 GLU 10 2HG GLU 10 7.960 3.640 -6.102 46 H LYS 11 H LYS 11 3.577 3.853 -4.849 47 HA LYS 11 HA LYS 11 3.590 6.314 -3.324 48 HB2 LYS 11 1HB LYS 11 2.284 3.653 -3.086 49 HB3 LYS 11 2HB LYS 11 2.531 4.564 -1.602 50 HG2 LYS 11 1HG LYS 11 0.353 5.066 -2.394 51 HG3 LYS 11 2HG LYS 11 1.358 6.488 -2.686 52 HD2 LYS 11 1HD LYS 11 0.164 6.242 -4.674 53 HD3 LYS 11 2HD LYS 11 1.719 5.487 -5.032 54 HE2 LYS 11 1HE LYS 11 -0.492 3.803 -3.954 55 HE3 LYS 11 2HE LYS 11 -0.547 4.298 -5.645 56 HZ1 LYS 11 3HZ LYS 11 1.949 3.440 -5.500 57 HZ2 LYS 11 1HZ LYS 11 0.655 2.421 -5.887 58 HZ3 LYS 11 2HZ LYS 11 1.264 2.452 -4.310 59 HA PRO 12 HA PRO 12 7.230 5.478 -0.993 60 HB2 PRO 12 1HB PRO 12 6.691 6.980 1.203 61 HB3 PRO 12 2HB PRO 12 7.146 7.683 -0.353 62 HG2 PRO 12 1HG PRO 12 4.427 7.364 0.858 63 HG3 PRO 12 2HG PRO 12 5.112 8.754 -0.004 64 HD2 PRO 12 1HD PRO 12 3.427 6.993 -1.184 65 HD3 PRO 12 2HD PRO 12 4.720 7.822 -2.075 66 H TYR 13 H TYR 13 4.062 5.027 0.471 67 HA TYR 13 HA TYR 13 5.214 3.233 2.482 68 HB2 TYR 13 1HB TYR 13 2.396 4.306 2.241 69 HB3 TYR 13 2HB TYR 13 3.021 3.341 3.574 70 HD1 TYR 13 HD1 TYR 13 4.656 4.309 5.146 71 HD2 TYR 13 HD2 TYR 13 2.870 6.650 2.075 72 HE1 TYR 13 HE1 TYR 13 5.370 6.359 6.302 73 HE2 TYR 13 HE2 TYR 13 3.580 8.707 3.221 74 HH TYR 13 HH TYR 13 4.418 9.553 5.134 75 H SER 14 H SER 14 4.669 1.087 2.631 76 HA SER 14 HA SER 14 2.729 -0.056 0.801 77 HB2 SER 14 1HB SER 14 4.298 -1.613 -0.225 78 HB3 SER 14 2HB SER 14 4.824 0.042 -0.527 79 HG SER 14 HG SER 14 5.806 -1.289 1.731 80 H CYS 15 H CYS 15 1.980 -2.071 1.430 81 HA CYS 15 HA CYS 15 2.632 -2.802 4.177 82 HB2 CYS 15 1HB CYS 15 0.294 -2.607 3.785 83 HB3 CYS 15 2HB CYS 15 0.389 -3.566 2.311 84 H ASN 16 H ASN 16 4.213 -4.220 4.475 85 HA ASN 16 HA ASN 16 4.828 -6.189 2.420 86 HB2 ASN 16 1HB ASN 16 6.775 -6.716 3.949 87 HB3 ASN 16 2HB ASN 16 6.745 -5.077 3.305 88 HD21 ASN 16 1HD2 ASN 16 6.276 -3.358 4.672 89 HD22 ASN 16 2HD2 ASN 16 6.345 -3.510 6.392 90 H VAL 17 H VAL 17 2.379 -6.684 3.542 91 HA VAL 17 HA VAL 17 2.906 -9.163 5.034 92 HB VAL 17 HB VAL 17 0.683 -7.204 5.628 93 HG11 VAL 17 1HG1 VAL 17 0.153 -8.791 7.483 94 HG12 VAL 17 2HG1 VAL 17 -0.172 -9.425 5.868 95 HG13 VAL 17 3HG1 VAL 17 1.269 -9.941 6.746 96 HG21 VAL 17 3HG2 VAL 17 2.778 -8.124 7.561 97 HG22 VAL 17 1HG2 VAL 17 3.095 -6.784 6.459 98 HG23 VAL 17 2HG2 VAL 17 1.767 -6.680 7.616 99 H CYS 18 H CYS 18 0.408 -7.336 3.267 100 HA CYS 18 HA CYS 18 -0.531 -9.890 2.136 101 HB2 CYS 18 1HB CYS 18 -2.724 -8.946 1.935 102 HB3 CYS 18 2HB CYS 18 -2.166 -8.636 3.575 103 H GLY 19 H GLY 19 0.073 -6.469 1.427 104 HA2 GLY 19 1HA GLY 19 1.400 -6.166 -0.686 105 HA3 GLY 19 2HA GLY 19 0.178 -7.180 -1.440 106 H LYS 20 H LYS 20 0.480 -4.173 0.441 107 HA LYS 20 HA LYS 20 -1.488 -2.956 -1.371 108 HB2 LYS 20 1HB LYS 20 -2.282 -3.658 1.059 109 HB3 LYS 20 2HB LYS 20 -1.488 -2.153 1.504 110 HG2 LYS 20 1HG LYS 20 -2.928 -0.887 0.088 111 HG3 LYS 20 2HG LYS 20 -3.608 -2.354 -0.621 112 HD2 LYS 20 1HD LYS 20 -4.212 -2.877 1.893 113 HD3 LYS 20 2HD LYS 20 -4.095 -1.123 2.049 114 HE2 LYS 20 1HE LYS 20 -5.652 -1.011 0.031 115 HE3 LYS 20 2HE LYS 20 -5.943 -2.728 0.304 116 HZ1 LYS 20 3HZ LYS 20 -7.020 -2.326 2.273 117 HZ2 LYS 20 1HZ LYS 20 -7.484 -0.964 1.382 118 HZ3 LYS 20 2HZ LYS 20 -6.253 -0.841 2.536 119 H ALA 21 H ALA 21 -1.478 -0.512 -1.145 120 HA ALA 21 HA ALA 21 1.149 0.538 -0.381 121 HB1 ALA 21 3HB ALA 21 -0.116 0.862 -3.095 122 HB2 ALA 21 1HB ALA 21 1.237 1.833 -2.513 123 HB3 ALA 21 2HB ALA 21 1.422 0.090 -2.712 124 H PHE 22 H PHE 22 1.130 2.608 0.381 125 HA PHE 22 HA PHE 22 -1.397 4.098 0.233 126 HB2 PHE 22 1HB PHE 22 0.242 3.924 2.760 127 HB3 PHE 22 2HB PHE 22 -1.368 4.606 2.561 128 HD1 PHE 22 HD2 PHE 22 0.560 1.461 2.608 129 HD2 PHE 22 HD1 PHE 22 -3.297 3.258 2.716 130 HE1 PHE 22 HE2 PHE 22 -0.428 -0.704 3.233 131 HE2 PHE 22 HE1 PHE 22 -4.290 1.097 3.343 132 HZ PHE 22 HZ PHE 22 -2.856 -0.888 3.601 133 H VAL 23 H VAL 23 -1.198 6.381 0.500 134 HA VAL 23 HA VAL 23 1.287 7.405 -0.558 135 HB VAL 23 HB VAL 23 -1.257 8.855 0.187 136 HG11 VAL 23 1HG1 VAL 23 0.241 10.578 0.176 137 HG12 VAL 23 2HG1 VAL 23 1.343 9.761 -0.933 138 HG13 VAL 23 3HG1 VAL 23 -0.135 10.505 -1.545 139 HG21 VAL 23 3HG2 VAL 23 -1.584 8.937 -2.285 140 HG22 VAL 23 1HG2 VAL 23 -0.222 7.829 -2.452 141 HG23 VAL 23 2HG2 VAL 23 -1.679 7.314 -1.601 142 H LEU 24 H LEU 24 -0.550 7.626 2.447 143 HA LEU 24 HA LEU 24 1.668 9.144 3.645 144 HB2 LEU 24 1HB LEU 24 -1.111 8.806 4.752 145 HB3 LEU 24 2HB LEU 24 0.135 9.924 5.302 146 HG LEU 24 HG LEU 24 -1.194 10.089 2.601 147 HD11 LEU 24 1HD1 LEU 24 -2.147 10.878 5.225 148 HD12 LEU 24 2HD1 LEU 24 -2.994 10.832 3.679 149 HD13 LEU 24 3HD1 LEU 24 -2.029 12.242 4.114 150 HD21 LEU 24 3HD2 LEU 24 -0.264 12.361 2.612 151 HD22 LEU 24 1HD2 LEU 24 0.996 11.131 2.704 152 HD23 LEU 24 2HD2 LEU 24 0.527 12.022 4.152 153 H SER 25 H SER 25 1.823 8.682 6.111 154 HA SER 25 HA SER 25 2.431 5.875 6.368 155 HB2 SER 25 1HB SER 25 3.374 6.516 8.559 156 HB3 SER 25 2HB SER 25 3.981 7.547 7.263 157 HG SER 25 HG SER 25 2.234 8.150 9.358 158 H ALA 26 H ALA 26 0.228 8.180 7.919 159 HA ALA 26 HA ALA 26 -0.875 6.560 9.865 160 HB1 ALA 26 3HB ALA 26 -2.925 8.176 8.654 161 HB2 ALA 26 1HB ALA 26 -2.140 8.349 10.224 162 HB3 ALA 26 2HB ALA 26 -1.418 9.080 8.791 163 H HIS 27 H HIS 27 -1.704 6.783 6.436 164 HA HIS 27 HA HIS 27 -3.986 5.147 6.489 165 HB2 HIS 27 1HB HIS 27 -2.000 5.788 4.312 166 HB3 HIS 27 2HB HIS 27 -3.403 4.762 4.030 167 HD2 HIS 27 HD2 HIS 27 -5.280 6.920 6.020 168 HE1 HIS 27 HE1 HIS 27 -4.653 9.390 2.628 169 HE2 HIS 27 HE2 HIS 27 -5.962 9.071 4.756 170 H LEU 28 H LEU 28 -0.573 4.359 5.908 171 HA LEU 28 HA LEU 28 -0.946 1.615 5.416 172 HB2 LEU 28 1HB LEU 28 1.107 2.582 4.775 173 HB3 LEU 28 2HB LEU 28 1.398 3.218 6.393 174 HG LEU 28 HG LEU 28 1.731 0.896 7.196 175 HD11 LEU 28 1HD1 LEU 28 1.949 -0.003 4.362 176 HD12 LEU 28 2HD1 LEU 28 0.372 0.005 5.151 177 HD13 LEU 28 3HD1 LEU 28 1.692 -0.949 5.829 178 HD21 LEU 28 3HD2 LEU 28 3.897 0.543 5.874 179 HD22 LEU 28 1HD2 LEU 28 3.712 2.055 6.762 180 HD23 LEU 28 2HD2 LEU 28 3.459 2.022 5.017 181 H ASN 29 H ASN 29 -0.338 3.415 8.398 182 HA ASN 29 HA ASN 29 -0.004 1.201 10.098 183 HB2 ASN 29 1HB ASN 29 0.685 3.194 11.064 184 HB3 ASN 29 2HB ASN 29 -0.734 4.075 10.506 185 HD21 ASN 29 1HD2 ASN 29 -1.571 4.852 12.330 186 HD22 ASN 29 2HD2 ASN 29 -2.039 3.900 13.693 187 H GLN 30 H GLN 30 -2.888 3.222 9.536 188 HA GLN 30 HA GLN 30 -4.679 1.857 11.130 189 HB2 GLN 30 1HB GLN 30 -4.926 3.537 8.689 190 HB3 GLN 30 2HB GLN 30 -6.333 2.598 9.169 191 HG2 GLN 30 1HG GLN 30 -6.243 4.950 10.032 192 HG3 GLN 30 2HG GLN 30 -6.483 3.697 11.248 193 HE21 GLN 30 1HE2 GLN 30 -4.367 6.131 10.019 194 HE22 GLN 30 2HE2 GLN 30 -3.209 6.074 11.300 195 H HIS 31 H HIS 31 -3.237 0.862 8.172 196 HA HIS 31 HA HIS 31 -5.227 -1.142 7.565 197 HB2 HIS 31 1HB HIS 31 -4.047 -0.111 5.719 198 HB3 HIS 31 2HB HIS 31 -2.493 -0.596 6.393 199 HD1 HIS 31 HD1 HIS 31 -5.675 -2.361 5.251 200 HD2 HIS 31 HD2 HIS 31 -1.546 -2.827 5.213 201 HE1 HIS 31 HE1 HIS 31 -5.250 -4.489 3.980 202 H LEU 32 H LEU 32 -1.863 -1.129 8.717 203 HA LEU 32 HA LEU 32 -1.280 -3.757 8.926 204 HB2 LEU 32 1HB LEU 32 -0.781 -1.616 10.984 205 HB3 LEU 32 2HB LEU 32 -0.022 -3.207 11.014 206 HG LEU 32 HG LEU 32 0.295 -1.287 8.716 207 HD11 LEU 32 1HD1 LEU 32 1.110 -0.534 11.090 208 HD12 LEU 32 2HD1 LEU 32 2.141 -0.327 9.674 209 HD13 LEU 32 3HD1 LEU 32 2.414 -1.679 10.773 210 HD21 LEU 32 3HD2 LEU 32 1.743 -3.778 9.597 211 HD22 LEU 32 1HD2 LEU 32 2.341 -2.681 8.352 212 HD23 LEU 32 2HD2 LEU 32 0.816 -3.535 8.116 213 H ARG 33 H ARG 33 -3.474 -1.957 11.005 214 HA ARG 33 HA ARG 33 -3.874 -3.704 13.081 215 HB2 ARG 33 1HB ARG 33 -5.761 -1.871 11.628 216 HB3 ARG 33 2HB ARG 33 -6.318 -2.857 12.973 217 HG2 ARG 33 1HG ARG 33 -5.702 -0.553 13.618 218 HG3 ARG 33 2HG ARG 33 -4.780 -1.793 14.471 219 HD2 ARG 33 1HD ARG 33 -2.927 -1.470 12.876 220 HD3 ARG 33 2HD ARG 33 -3.849 -0.184 12.096 221 HE ARG 33 HE ARG 33 -2.306 0.033 14.467 222 HH11 ARG 33 1HH1 ARG 33 -5.226 1.176 12.955 223 HH12 ARG 33 2HH1 ARG 33 -5.244 2.675 13.823 224 HH21 ARG 33 1HH2 ARG 33 -2.318 2.004 15.616 225 HH22 ARG 33 2HH2 ARG 33 -3.589 3.145 15.336 226 H VAL 34 H VAL 34 -5.487 -3.757 9.913 227 HA VAL 34 HA VAL 34 -7.223 -5.859 10.277 228 HB VAL 34 HB VAL 34 -7.145 -6.246 7.888 229 HG11 VAL 34 1HG1 VAL 34 -7.223 -3.525 9.003 230 HG12 VAL 34 2HG1 VAL 34 -7.047 -3.621 7.250 231 HG13 VAL 34 3HG1 VAL 34 -8.419 -4.395 8.043 232 HG21 VAL 34 3HG2 VAL 34 -4.426 -5.438 8.180 233 HG22 VAL 34 1HG2 VAL 34 -5.228 -6.139 6.775 234 HG23 VAL 34 2HG2 VAL 34 -5.208 -4.390 6.997 235 H HIS 35 H HIS 35 -3.772 -5.935 10.058 236 HA HIS 35 HA HIS 35 -3.739 -8.837 9.704 237 HB2 HIS 35 1HB HIS 35 -1.406 -6.924 9.907 238 HB3 HIS 35 2HB HIS 35 -1.341 -8.613 9.410 239 HD1 HIS 35 HD1 HIS 35 -3.572 -8.715 7.349 240 HD2 HIS 35 HD2 HIS 35 -0.842 -5.594 7.613 241 HE1 HIS 35 HE1 HIS 35 -3.547 -7.649 5.071 242 H THR 36 H THR 36 -4.844 -7.857 12.114 243 HA THR 36 HA THR 36 -2.781 -8.323 14.135 244 HB THR 36 HB THR 36 -4.294 -6.399 14.458 245 HG1 THR 36 HG1 THR 36 -5.103 -7.290 16.637 246 HG21 THR 36 3HG2 THR 36 -6.312 -7.257 13.433 247 HG22 THR 36 1HG2 THR 36 -6.645 -6.833 15.112 248 HG23 THR 36 2HG2 THR 36 -6.431 -8.523 14.654 249 H GLN 37 H GLN 37 -3.606 -10.521 12.498 250 HA GLN 37 HA GLN 37 -4.063 -12.464 14.496 251 HB2 GLN 37 1HB GLN 37 -6.257 -13.247 13.926 252 HB3 GLN 37 2HB GLN 37 -6.371 -11.529 14.287 253 HG2 GLN 37 1HG GLN 37 -7.656 -11.657 12.408 254 HG3 GLN 37 2HG GLN 37 -6.087 -11.273 11.702 255 HE21 GLN 37 1HE2 GLN 37 -8.318 -13.895 12.412 256 HE22 GLN 37 2HE2 GLN 37 -7.777 -14.944 11.151 257 H GLU 38 H GLU 38 -4.603 -14.672 13.393 258 HA GLU 38 HA GLU 38 -2.967 -14.812 10.952 259 HB2 GLU 38 1HB GLU 38 -3.303 -16.626 13.297 260 HB3 GLU 38 2HB GLU 38 -2.927 -17.343 11.737 261 HG2 GLU 38 1HG GLU 38 -0.926 -15.953 11.576 262 HG3 GLU 38 2HG GLU 38 -1.303 -15.233 13.141 263 H THR 39 H THR 39 -3.563 -16.334 9.309 264 HA THR 39 HA THR 39 -6.446 -16.953 9.288 265 HB THR 39 HB THR 39 -6.276 -16.750 6.773 266 HG1 THR 39 HG1 THR 39 -4.215 -16.644 6.194 267 HG21 THR 39 3HG2 THR 39 -7.332 -15.008 8.089 268 HG22 THR 39 1HG2 THR 39 -6.386 -14.278 6.793 269 HG23 THR 39 2HG2 THR 39 -5.763 -14.286 8.443 270 H LEU 40 H LEU 40 -6.996 -18.714 7.678 271 HA LEU 40 HA LEU 40 -5.980 -21.127 8.378 272 HB2 LEU 40 1HB LEU 40 -6.824 -22.003 6.231 273 HB3 LEU 40 2HB LEU 40 -7.972 -20.953 7.059 274 HG LEU 40 HG LEU 40 -6.919 -19.134 5.449 275 HD11 LEU 40 1HD1 LEU 40 -5.486 -19.978 3.976 276 HD12 LEU 40 2HD1 LEU 40 -6.852 -20.815 3.239 277 HD13 LEU 40 3HD1 LEU 40 -5.867 -21.633 4.452 278 HD21 LEU 40 3HD2 LEU 40 -8.702 -19.840 3.757 279 HD22 LEU 40 1HD2 LEU 40 -9.229 -19.506 5.407 280 HD23 LEU 40 2HD2 LEU 40 -9.043 -21.173 4.861 281 H SER 41 H SER 41 -4.260 -22.384 7.916 282 HA SER 41 HA SER 41 -2.102 -21.170 6.382 283 HB2 SER 41 1HB SER 41 -0.715 -22.989 7.344 284 HB3 SER 41 2HB SER 41 -1.545 -22.052 8.586 285 HG SER 41 HG SER 41 -2.759 -24.365 7.563 286 H GLY 42 H GLY 42 -0.896 -22.383 4.797 287 HA2 GLY 42 1HA GLY 42 -2.545 -23.624 2.872 288 HA3 GLY 42 2HA GLY 42 -0.788 -23.576 2.839 289 HA PRO 43 HA PRO 43 -1.984 -27.997 3.312 290 HB2 PRO 43 1HB PRO 43 -0.050 -28.923 1.648 291 HB3 PRO 43 2HB PRO 43 -1.623 -28.359 1.072 292 HG2 PRO 43 1HG PRO 43 1.000 -26.918 1.128 293 HG3 PRO 43 2HG PRO 43 -0.221 -26.970 -0.157 294 HD2 PRO 43 1HD PRO 43 0.011 -24.880 1.550 295 HD3 PRO 43 2HD PRO 43 -1.548 -25.388 0.868 296 H SER 44 H SER 44 0.502 -26.034 4.274 297 HA SER 44 HA SER 44 2.342 -28.081 5.151 298 HB2 SER 44 1HB SER 44 2.224 -25.089 5.453 299 HB3 SER 44 2HB SER 44 3.385 -26.049 6.370 300 HG SER 44 HG SER 44 3.802 -25.156 4.035 301 H SER 45 H SER 45 -0.124 -28.673 6.152 302 HA SER 45 HA SER 45 0.388 -28.616 8.991 303 HB2 SER 45 1HB SER 45 -1.015 -26.502 8.241 304 HB3 SER 45 2HB SER 45 -2.344 -27.661 8.238 305 HG SER 45 HG SER 45 -0.635 -27.576 10.454 306 H GLY 46 H GLY 46 -1.197 -29.967 10.196 307 HA2 GLY 46 1HA GLY 46 -1.430 -32.502 9.290 308 HA3 GLY 46 2HA GLY 46 -2.586 -31.805 10.415 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -7.730 -16.507 -14.012 2 HA2 GLY 1 1HA GLY 1 -6.456 -15.022 -16.226 3 HA3 GLY 1 2HA GLY 1 -8.194 -15.149 -16.001 4 H SER 2 H SER 2 -5.868 -12.986 -15.885 5 HA SER 2 HA SER 2 -7.187 -11.455 -13.759 6 HB2 SER 2 1HB SER 2 -5.000 -10.607 -12.976 7 HB3 SER 2 2HB SER 2 -5.140 -12.352 -12.762 8 HG SER 2 HG SER 2 -3.865 -12.642 -14.590 9 H SER 3 H SER 3 -6.707 -9.110 -13.902 10 HA SER 3 HA SER 3 -6.495 -8.314 -16.723 11 HB2 SER 3 1HB SER 3 -7.653 -6.223 -15.977 12 HB3 SER 3 2HB SER 3 -8.607 -7.685 -15.730 13 HG SER 3 HG SER 3 -8.348 -6.028 -13.935 14 H GLY 4 H GLY 4 -5.617 -7.120 -13.476 15 HA2 GLY 4 1HA GLY 4 -3.510 -6.325 -12.820 16 HA3 GLY 4 2HA GLY 4 -3.019 -6.300 -14.507 17 H SER 5 H SER 5 -3.137 -4.305 -12.129 18 HA SER 5 HA SER 5 -4.575 -2.140 -13.495 19 HB2 SER 5 1HB SER 5 -3.809 -2.658 -10.657 20 HB3 SER 5 2HB SER 5 -3.931 -0.981 -11.189 21 HG SER 5 HG SER 5 -6.012 -1.176 -11.116 22 H SER 6 H SER 6 -3.489 0.077 -13.167 23 HA SER 6 HA SER 6 -0.591 0.019 -13.212 24 HB2 SER 6 1HB SER 6 -1.313 -0.513 -15.562 25 HB3 SER 6 2HB SER 6 -2.090 1.069 -15.621 26 HG SER 6 HG SER 6 0.246 0.731 -16.374 27 H GLY 7 H GLY 7 0.015 1.674 -11.994 28 HA2 GLY 7 1HA GLY 7 -1.656 4.112 -12.023 29 HA3 GLY 7 2HA GLY 7 -0.794 3.537 -10.604 30 H THR 8 H THR 8 -0.631 6.140 -11.867 31 HA THR 8 HA THR 8 1.988 6.188 -13.133 32 HB THR 8 HB THR 8 1.603 8.622 -13.359 33 HG1 THR 8 HG1 THR 8 0.167 9.496 -12.088 34 HG21 THR 8 3HG2 THR 8 -0.209 8.488 -14.976 35 HG22 THR 8 1HG2 THR 8 -0.745 6.959 -14.280 36 HG23 THR 8 2HG2 THR 8 0.816 7.057 -15.096 37 H GLY 9 H GLY 9 3.765 6.240 -11.929 38 HA2 GLY 9 1HA GLY 9 5.196 7.443 -10.431 39 HA3 GLY 9 2HA GLY 9 3.774 7.922 -9.516 40 H GLU 10 H GLU 10 4.966 7.202 -7.636 41 HA GLU 10 HA GLU 10 4.441 4.395 -7.089 42 HB2 GLU 10 1HB GLU 10 7.189 5.622 -6.817 43 HB3 GLU 10 2HB GLU 10 6.722 4.078 -6.118 44 HG2 GLU 10 1HG GLU 10 6.130 3.350 -8.468 45 HG3 GLU 10 2HG GLU 10 6.962 4.803 -9.019 46 H LYS 11 H LYS 11 3.946 3.996 -4.980 47 HA LYS 11 HA LYS 11 3.545 6.316 -3.289 48 HB2 LYS 11 1HB LYS 11 2.710 3.431 -3.128 49 HB3 LYS 11 2HB LYS 11 2.518 4.511 -1.753 50 HG2 LYS 11 1HG LYS 11 0.449 4.498 -2.870 51 HG3 LYS 11 2HG LYS 11 1.214 6.034 -3.286 52 HD2 LYS 11 1HD LYS 11 1.932 5.114 -5.424 53 HD3 LYS 11 2HD LYS 11 1.223 3.552 -5.006 54 HE2 LYS 11 1HE LYS 11 -0.935 4.315 -5.259 55 HE3 LYS 11 2HE LYS 11 -0.492 5.992 -4.945 56 HZ1 LYS 11 3HZ LYS 11 0.820 5.690 -7.165 57 HZ2 LYS 11 1HZ LYS 11 -0.834 6.044 -7.186 58 HZ3 LYS 11 2HZ LYS 11 -0.306 4.457 -7.436 59 HA PRO 12 HA PRO 12 7.161 5.769 -0.837 60 HB2 PRO 12 1HB PRO 12 6.346 7.057 1.410 61 HB3 PRO 12 2HB PRO 12 6.785 7.905 -0.078 62 HG2 PRO 12 1HG PRO 12 4.072 7.196 0.968 63 HG3 PRO 12 2HG PRO 12 4.624 8.707 0.223 64 HD2 PRO 12 1HD PRO 12 3.217 6.840 -1.142 65 HD3 PRO 12 2HD PRO 12 4.441 7.868 -1.916 66 H TYR 13 H TYR 13 4.006 4.896 0.472 67 HA TYR 13 HA TYR 13 5.312 3.012 2.314 68 HB2 TYR 13 1HB TYR 13 2.437 3.944 2.355 69 HB3 TYR 13 2HB TYR 13 3.264 3.008 3.595 70 HD1 TYR 13 HD1 TYR 13 4.912 4.075 5.067 71 HD2 TYR 13 HD2 TYR 13 2.741 6.327 2.184 72 HE1 TYR 13 HE1 TYR 13 5.560 6.153 6.211 73 HE2 TYR 13 HE2 TYR 13 3.384 8.412 3.319 74 HH TYR 13 HH TYR 13 5.207 9.200 4.827 75 H SER 14 H SER 14 4.560 0.861 2.456 76 HA SER 14 HA SER 14 2.585 -0.166 0.662 77 HB2 SER 14 1HB SER 14 4.204 -1.651 -0.589 78 HB3 SER 14 2HB SER 14 4.285 0.059 -1.011 79 HG SER 14 HG SER 14 6.089 -1.496 0.483 80 H CYS 15 H CYS 15 1.735 -1.942 1.536 81 HA CYS 15 HA CYS 15 2.890 -3.044 3.925 82 HB2 CYS 15 1HB CYS 15 0.501 -2.805 3.853 83 HB3 CYS 15 2HB CYS 15 0.400 -3.730 2.358 84 H ASN 16 H ASN 16 3.658 -5.122 4.256 85 HA ASN 16 HA ASN 16 4.448 -6.548 1.806 86 HB2 ASN 16 1HB ASN 16 6.134 -7.628 3.487 87 HB3 ASN 16 2HB ASN 16 6.443 -6.009 2.867 88 HD21 ASN 16 1HD2 ASN 16 4.934 -7.717 5.569 89 HD22 ASN 16 2HD2 ASN 16 5.325 -6.532 6.764 90 H VAL 17 H VAL 17 2.884 -6.856 4.910 91 HA VAL 17 HA VAL 17 2.773 -9.598 5.234 92 HB VAL 17 HB VAL 17 0.626 -7.570 5.866 93 HG11 VAL 17 1HG1 VAL 17 -0.360 -9.765 5.824 94 HG12 VAL 17 2HG1 VAL 17 0.959 -10.419 6.797 95 HG13 VAL 17 3HG1 VAL 17 -0.166 -9.257 7.501 96 HG21 VAL 17 3HG2 VAL 17 2.456 -8.800 7.876 97 HG22 VAL 17 1HG2 VAL 17 3.038 -7.469 6.875 98 HG23 VAL 17 2HG2 VAL 17 1.629 -7.242 7.911 99 H CYS 18 H CYS 18 0.387 -7.549 3.551 100 HA CYS 18 HA CYS 18 -0.541 -9.959 2.131 101 HB2 CYS 18 1HB CYS 18 -2.704 -8.913 1.908 102 HB3 CYS 18 2HB CYS 18 -2.230 -8.862 3.602 103 H GLY 19 H GLY 19 0.508 -6.634 1.821 104 HA2 GLY 19 1HA GLY 19 1.753 -5.978 -0.136 105 HA3 GLY 19 2HA GLY 19 0.749 -7.065 -1.084 106 H LYS 20 H LYS 20 0.926 -3.954 0.494 107 HA LYS 20 HA LYS 20 -1.276 -3.033 -1.209 108 HB2 LYS 20 1HB LYS 20 -1.935 -3.526 1.264 109 HB3 LYS 20 2HB LYS 20 -1.061 -2.041 1.616 110 HG2 LYS 20 1HG LYS 20 -2.618 -0.718 0.609 111 HG3 LYS 20 2HG LYS 20 -3.104 -1.971 -0.536 112 HD2 LYS 20 1HD LYS 20 -3.657 -2.414 2.354 113 HD3 LYS 20 2HD LYS 20 -4.658 -1.251 1.482 114 HE2 LYS 20 1HE LYS 20 -4.796 -3.205 -0.279 115 HE3 LYS 20 2HE LYS 20 -4.410 -4.198 1.126 116 HZ1 LYS 20 3HZ LYS 20 -6.319 -3.092 2.262 117 HZ2 LYS 20 1HZ LYS 20 -6.754 -4.082 0.961 118 HZ3 LYS 20 2HZ LYS 20 -6.742 -2.401 0.777 119 H ALA 21 H ALA 21 -1.411 -0.494 -0.923 120 HA ALA 21 HA ALA 21 1.231 0.696 -0.603 121 HB1 ALA 21 3HB ALA 21 -0.320 0.911 -3.180 122 HB2 ALA 21 1HB ALA 21 1.170 1.774 -2.794 123 HB3 ALA 21 2HB ALA 21 1.181 0.016 -2.945 124 H PHE 22 H PHE 22 1.116 2.660 0.296 125 HA PHE 22 HA PHE 22 -1.412 4.147 0.113 126 HB2 PHE 22 1HB PHE 22 0.221 3.816 2.638 127 HB3 PHE 22 2HB PHE 22 -1.271 4.736 2.475 128 HD1 PHE 22 HD1 PHE 22 -3.412 3.571 2.132 129 HD2 PHE 22 HD2 PHE 22 0.201 1.454 2.893 130 HE1 PHE 22 HE1 PHE 22 -4.714 1.564 2.708 131 HE2 PHE 22 HE2 PHE 22 -1.095 -0.557 3.469 132 HZ PHE 22 HZ PHE 22 -3.555 -0.504 3.377 133 H VAL 23 H VAL 23 -1.199 6.450 0.582 134 HA VAL 23 HA VAL 23 1.276 7.492 -0.526 135 HB VAL 23 HB VAL 23 -1.257 8.948 0.245 136 HG11 VAL 23 1HG1 VAL 23 1.355 9.877 -0.533 137 HG12 VAL 23 2HG1 VAL 23 0.138 10.368 -1.713 138 HG13 VAL 23 3HG1 VAL 23 -0.054 10.800 -0.013 139 HG21 VAL 23 3HG2 VAL 23 -1.929 7.612 -1.514 140 HG22 VAL 23 1HG2 VAL 23 -1.381 9.062 -2.355 141 HG23 VAL 23 2HG2 VAL 23 -0.341 7.639 -2.280 142 H LEU 24 H LEU 24 -0.623 7.770 2.450 143 HA LEU 24 HA LEU 24 1.600 9.242 3.687 144 HB2 LEU 24 1HB LEU 24 -1.192 8.882 4.756 145 HB3 LEU 24 2HB LEU 24 0.047 9.984 5.353 146 HG LEU 24 HG LEU 24 -1.183 10.225 2.614 147 HD11 LEU 24 1HD1 LEU 24 -3.031 11.062 3.501 148 HD12 LEU 24 2HD1 LEU 24 -2.079 12.260 4.377 149 HD13 LEU 24 3HD1 LEU 24 -2.426 10.698 5.118 150 HD21 LEU 24 3HD2 LEU 24 -0.018 12.482 4.152 151 HD22 LEU 24 1HD2 LEU 24 -0.045 12.188 2.414 152 HD23 LEU 24 2HD2 LEU 24 1.089 11.308 3.438 153 H SER 25 H SER 25 1.859 8.746 6.094 154 HA SER 25 HA SER 25 2.431 5.942 6.342 155 HB2 SER 25 1HB SER 25 3.311 6.602 8.595 156 HB3 SER 25 2HB SER 25 4.017 7.514 7.261 157 HG SER 25 HG SER 25 2.703 9.245 7.779 158 H ALA 26 H ALA 26 0.221 8.227 7.908 159 HA ALA 26 HA ALA 26 -0.867 6.587 9.851 160 HB1 ALA 26 3HB ALA 26 -1.372 9.123 8.906 161 HB2 ALA 26 1HB ALA 26 -2.875 8.261 8.575 162 HB3 ALA 26 2HB ALA 26 -2.231 8.314 10.217 163 H HIS 27 H HIS 27 -1.798 6.905 6.445 164 HA HIS 27 HA HIS 27 -4.051 5.262 6.476 165 HB2 HIS 27 1HB HIS 27 -2.053 5.917 4.319 166 HB3 HIS 27 2HB HIS 27 -3.428 4.859 4.015 167 HD2 HIS 27 HD2 HIS 27 -5.353 6.996 6.005 168 HE1 HIS 27 HE1 HIS 27 -4.785 9.440 2.584 169 HE2 HIS 27 HE2 HIS 27 -6.081 9.119 4.720 170 H LEU 28 H LEU 28 -0.639 4.440 5.983 171 HA LEU 28 HA LEU 28 -1.049 1.695 5.467 172 HB2 LEU 28 1HB LEU 28 1.014 2.674 4.828 173 HB3 LEU 28 2HB LEU 28 1.324 3.248 6.465 174 HG LEU 28 HG LEU 28 1.522 0.825 7.149 175 HD11 LEU 28 1HD1 LEU 28 2.132 0.085 4.364 176 HD12 LEU 28 2HD1 LEU 28 0.423 0.260 4.759 177 HD13 LEU 28 3HD1 LEU 28 1.426 -0.869 5.669 178 HD21 LEU 28 3HD2 LEU 28 3.431 2.400 6.689 179 HD22 LEU 28 1HD2 LEU 28 3.528 1.690 5.077 180 HD23 LEU 28 2HD2 LEU 28 3.801 0.685 6.501 181 H ASN 29 H ASN 29 -0.270 3.465 8.443 182 HA ASN 29 HA ASN 29 0.031 1.307 10.164 183 HB2 ASN 29 1HB ASN 29 -0.892 4.136 10.573 184 HB3 ASN 29 2HB ASN 29 -0.879 3.000 11.918 185 HD21 ASN 29 1HD2 ASN 29 0.635 4.851 12.565 186 HD22 ASN 29 2HD2 ASN 29 2.311 4.596 12.233 187 H GLN 30 H GLN 30 -2.928 3.234 9.644 188 HA GLN 30 HA GLN 30 -4.678 1.819 11.206 189 HB2 GLN 30 1HB GLN 30 -5.125 3.180 8.553 190 HB3 GLN 30 2HB GLN 30 -6.441 2.511 9.508 191 HG2 GLN 30 1HG GLN 30 -4.558 4.413 10.802 192 HG3 GLN 30 2HG GLN 30 -5.774 5.037 9.689 193 HE21 GLN 30 1HE2 GLN 30 -5.333 3.090 12.592 194 HE22 GLN 30 2HE2 GLN 30 -6.875 3.447 13.286 195 H HIS 31 H HIS 31 -3.509 1.008 7.989 196 HA HIS 31 HA HIS 31 -5.292 -1.131 7.497 197 HB2 HIS 31 1HB HIS 31 -4.124 -0.183 5.640 198 HB3 HIS 31 2HB HIS 31 -2.559 -0.477 6.393 199 HD1 HIS 31 HD1 HIS 31 -5.500 -2.532 5.118 200 HD2 HIS 31 HD2 HIS 31 -1.368 -2.735 5.505 201 HE1 HIS 31 HE1 HIS 31 -4.826 -4.691 4.017 202 H LEU 32 H LEU 32 -1.946 -1.078 8.709 203 HA LEU 32 HA LEU 32 -1.395 -3.717 8.994 204 HB2 LEU 32 1HB LEU 32 -0.856 -1.616 11.087 205 HB3 LEU 32 2HB LEU 32 -0.007 -3.151 10.912 206 HG LEU 32 HG LEU 32 0.026 -0.972 8.829 207 HD11 LEU 32 1HD1 LEU 32 2.110 -0.248 9.667 208 HD12 LEU 32 2HD1 LEU 32 2.210 -1.597 10.798 209 HD13 LEU 32 3HD1 LEU 32 1.023 -0.319 11.055 210 HD21 LEU 32 3HD2 LEU 32 1.346 -2.312 7.605 211 HD22 LEU 32 1HD2 LEU 32 0.637 -3.609 8.568 212 HD23 LEU 32 2HD2 LEU 32 2.201 -2.930 9.019 213 H ARG 33 H ARG 33 -3.806 -1.927 10.697 214 HA ARG 33 HA ARG 33 -4.163 -3.414 13.002 215 HB2 ARG 33 1HB ARG 33 -6.202 -2.051 11.240 216 HB3 ARG 33 2HB ARG 33 -6.583 -2.728 12.818 217 HG2 ARG 33 1HG ARG 33 -4.768 -1.219 13.744 218 HG3 ARG 33 2HG ARG 33 -4.785 -0.414 12.173 219 HD2 ARG 33 1HD ARG 33 -6.257 0.869 13.424 220 HD3 ARG 33 2HD ARG 33 -7.333 -0.227 12.559 221 HE ARG 33 HE ARG 33 -6.713 -1.419 14.993 222 HH11 ARG 33 1HH1 ARG 33 -8.356 1.418 13.822 223 HH12 ARG 33 2HH1 ARG 33 -9.447 1.500 15.166 224 HH21 ARG 33 1HH2 ARG 33 -8.144 -1.321 16.767 225 HH22 ARG 33 2HH2 ARG 33 -9.325 -0.058 16.841 226 H VAL 34 H VAL 34 -5.628 -3.956 9.804 227 HA VAL 34 HA VAL 34 -7.180 -6.164 10.380 228 HB VAL 34 HB VAL 34 -7.058 -6.762 8.042 229 HG11 VAL 34 1HG1 VAL 34 -7.021 -3.782 8.494 230 HG12 VAL 34 2HG1 VAL 34 -7.586 -4.560 7.014 231 HG13 VAL 34 3HG1 VAL 34 -8.423 -4.851 8.540 232 HG21 VAL 34 3HG2 VAL 34 -4.427 -6.079 8.174 233 HG22 VAL 34 1HG2 VAL 34 -5.319 -6.360 6.678 234 HG23 VAL 34 2HG2 VAL 34 -5.099 -4.716 7.278 235 H HIS 35 H HIS 35 -3.765 -5.910 10.345 236 HA HIS 35 HA HIS 35 -3.433 -8.822 10.210 237 HB2 HIS 35 1HB HIS 35 -1.285 -6.695 10.254 238 HB3 HIS 35 2HB HIS 35 -1.074 -8.405 9.890 239 HD1 HIS 35 HD1 HIS 35 -3.209 -8.895 7.818 240 HD2 HIS 35 HD2 HIS 35 -0.871 -5.460 7.883 241 HE1 HIS 35 HE1 HIS 35 -3.265 -7.999 5.469 242 H THR 36 H THR 36 -4.688 -7.870 12.492 243 HA THR 36 HA THR 36 -2.614 -7.895 14.569 244 HB THR 36 HB THR 36 -4.280 -6.082 14.703 245 HG1 THR 36 HG1 THR 36 -5.024 -6.752 16.941 246 HG21 THR 36 3HG2 THR 36 -6.358 -6.631 14.041 247 HG22 THR 36 1HG2 THR 36 -6.567 -7.202 15.696 248 HG23 THR 36 2HG2 THR 36 -6.130 -8.338 14.420 249 H GLN 37 H GLN 37 -4.915 -9.891 13.063 250 HA GLN 37 HA GLN 37 -4.833 -11.789 15.314 251 HB2 GLN 37 1HB GLN 37 -7.083 -10.856 14.383 252 HB3 GLN 37 2HB GLN 37 -6.806 -11.986 13.064 253 HG2 GLN 37 1HG GLN 37 -6.897 -13.848 14.509 254 HG3 GLN 37 2HG GLN 37 -6.797 -12.830 15.944 255 HE21 GLN 37 1HE2 GLN 37 -8.626 -12.283 16.910 256 HE22 GLN 37 2HE2 GLN 37 -10.209 -12.445 16.238 257 H GLU 38 H GLU 38 -4.106 -13.840 14.990 258 HA GLU 38 HA GLU 38 -2.857 -15.496 14.046 259 HB2 GLU 38 1HB GLU 38 -5.104 -15.630 12.807 260 HB3 GLU 38 2HB GLU 38 -4.267 -14.868 11.462 261 HG2 GLU 38 1HG GLU 38 -2.568 -16.778 11.708 262 HG3 GLU 38 2HG GLU 38 -3.818 -17.569 12.666 263 H THR 39 H THR 39 -1.632 -12.955 14.085 264 HA THR 39 HA THR 39 -0.512 -12.007 11.763 265 HB THR 39 HB THR 39 0.007 -10.759 13.661 266 HG1 THR 39 HG1 THR 39 1.848 -10.911 12.330 267 HG21 THR 39 3HG2 THR 39 0.068 -13.266 14.957 268 HG22 THR 39 1HG2 THR 39 0.131 -11.665 15.692 269 HG23 THR 39 2HG2 THR 39 1.625 -12.496 15.259 270 H LEU 40 H LEU 40 0.735 -14.637 13.811 271 HA LEU 40 HA LEU 40 1.701 -16.143 11.636 272 HB2 LEU 40 1HB LEU 40 3.949 -15.731 11.560 273 HB3 LEU 40 2HB LEU 40 3.325 -14.112 11.870 274 HG LEU 40 HG LEU 40 4.502 -15.962 13.944 275 HD11 LEU 40 1HD1 LEU 40 6.435 -15.294 13.037 276 HD12 LEU 40 2HD1 LEU 40 6.092 -13.753 13.822 277 HD13 LEU 40 3HD1 LEU 40 5.673 -13.991 12.126 278 HD21 LEU 40 3HD2 LEU 40 4.487 -13.834 15.304 279 HD22 LEU 40 1HD2 LEU 40 2.912 -14.574 15.013 280 HD23 LEU 40 2HD2 LEU 40 3.409 -13.161 14.080 281 H SER 41 H SER 41 3.046 -18.015 12.373 282 HA SER 41 HA SER 41 3.369 -19.806 13.737 283 HB2 SER 41 1HB SER 41 3.127 -17.785 15.979 284 HB3 SER 41 2HB SER 41 3.817 -19.403 16.107 285 HG SER 41 HG SER 41 5.563 -18.769 15.016 286 H GLY 42 H GLY 42 0.647 -18.845 12.986 287 HA2 GLY 42 1HA GLY 42 -1.577 -19.130 13.617 288 HA3 GLY 42 2HA GLY 42 -0.985 -20.766 13.859 289 HA PRO 43 HA PRO 43 -0.986 -18.533 18.173 290 HB2 PRO 43 1HB PRO 43 -2.497 -16.281 18.309 291 HB3 PRO 43 2HB PRO 43 -0.773 -16.259 17.916 292 HG2 PRO 43 1HG PRO 43 -3.137 -16.114 16.084 293 HG3 PRO 43 2HG PRO 43 -1.630 -15.179 16.043 294 HD2 PRO 43 1HD PRO 43 -2.073 -17.300 14.419 295 HD3 PRO 43 2HD PRO 43 -0.456 -16.878 15.019 296 H SER 44 H SER 44 -2.332 -20.520 18.137 297 HA SER 44 HA SER 44 -5.205 -20.166 18.075 298 HB2 SER 44 1HB SER 44 -3.851 -22.243 17.285 299 HB3 SER 44 2HB SER 44 -3.824 -22.673 18.995 300 HG SER 44 HG SER 44 -6.197 -22.359 18.861 301 H SER 45 H SER 45 -6.151 -19.238 19.766 302 HA SER 45 HA SER 45 -6.137 -20.409 22.326 303 HB2 SER 45 1HB SER 45 -4.988 -18.719 23.634 304 HB3 SER 45 2HB SER 45 -3.882 -19.346 22.412 305 HG SER 45 HG SER 45 -5.371 -16.934 22.234 306 H GLY 46 H GLY 46 -7.299 -18.965 23.957 307 HA2 GLY 46 1HA GLY 46 -8.639 -16.669 23.556 308 HA3 GLY 46 2HA GLY 46 -9.578 -17.801 22.594 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -13.204 7.295 -21.748 2 HA2 GLY 1 1HA GLY 1 -10.986 8.668 -22.789 3 HA3 GLY 1 2HA GLY 1 -10.939 7.517 -21.461 4 H SER 2 H SER 2 -9.181 8.057 -23.881 5 HA SER 2 HA SER 2 -9.285 5.411 -25.146 6 HB2 SER 2 1HB SER 2 -7.781 6.355 -26.840 7 HB3 SER 2 2HB SER 2 -9.222 7.355 -26.660 8 HG SER 2 HG SER 2 -8.046 8.931 -25.859 9 H SER 3 H SER 3 -8.420 4.299 -23.322 10 HA SER 3 HA SER 3 -6.783 3.645 -21.823 11 HB2 SER 3 1HB SER 3 -4.916 2.634 -22.984 12 HB3 SER 3 2HB SER 3 -6.366 2.424 -23.965 13 HG SER 3 HG SER 3 -4.167 4.125 -24.376 14 H GLY 4 H GLY 4 -6.983 6.413 -21.704 15 HA2 GLY 4 1HA GLY 4 -4.153 7.163 -21.316 16 HA3 GLY 4 2HA GLY 4 -5.322 8.295 -21.977 17 H SER 5 H SER 5 -4.805 6.223 -19.129 18 HA SER 5 HA SER 5 -6.463 7.953 -17.500 19 HB2 SER 5 1HB SER 5 -6.251 6.326 -15.797 20 HB3 SER 5 2HB SER 5 -6.319 5.399 -17.296 21 HG SER 5 HG SER 5 -4.225 5.756 -15.516 22 H SER 6 H SER 6 -5.705 8.956 -15.542 23 HA SER 6 HA SER 6 -2.959 9.951 -15.829 24 HB2 SER 6 1HB SER 6 -5.432 11.079 -14.535 25 HB3 SER 6 2HB SER 6 -3.832 11.709 -14.144 26 HG SER 6 HG SER 6 -4.448 12.929 -15.823 27 H GLY 7 H GLY 7 -2.000 10.647 -13.602 28 HA2 GLY 7 1HA GLY 7 -1.315 10.085 -11.465 29 HA3 GLY 7 2HA GLY 7 -2.680 8.983 -11.359 30 H THR 8 H THR 8 0.678 9.293 -11.898 31 HA THR 8 HA THR 8 0.903 6.379 -12.095 32 HB THR 8 HB THR 8 2.666 6.533 -13.793 33 HG1 THR 8 HG1 THR 8 1.990 9.303 -13.792 34 HG21 THR 8 3HG2 THR 8 0.183 6.320 -14.369 35 HG22 THR 8 1HG2 THR 8 1.270 6.813 -15.666 36 HG23 THR 8 2HG2 THR 8 0.271 8.015 -14.849 37 H GLY 9 H GLY 9 2.643 5.512 -11.031 38 HA2 GLY 9 1HA GLY 9 5.058 6.389 -10.363 39 HA3 GLY 9 2HA GLY 9 4.071 7.341 -9.264 40 H GLU 10 H GLU 10 5.299 6.236 -7.583 41 HA GLU 10 HA GLU 10 3.980 3.733 -6.837 42 HB2 GLU 10 1HB GLU 10 6.195 3.228 -7.928 43 HB3 GLU 10 2HB GLU 10 6.969 4.093 -6.608 44 HG2 GLU 10 1HG GLU 10 6.914 1.603 -6.380 45 HG3 GLU 10 2HG GLU 10 6.251 2.502 -5.017 46 H LYS 11 H LYS 11 2.978 4.254 -5.009 47 HA LYS 11 HA LYS 11 3.439 6.357 -3.323 48 HB2 LYS 11 1HB LYS 11 2.329 3.615 -2.737 49 HB3 LYS 11 2HB LYS 11 2.352 4.897 -1.533 50 HG2 LYS 11 1HG LYS 11 0.241 5.118 -2.396 51 HG3 LYS 11 2HG LYS 11 1.138 6.276 -3.380 52 HD2 LYS 11 1HD LYS 11 1.147 4.869 -5.241 53 HD3 LYS 11 2HD LYS 11 0.794 3.434 -4.274 54 HE2 LYS 11 1HE LYS 11 -1.448 3.915 -4.135 55 HE3 LYS 11 2HE LYS 11 -1.198 5.648 -4.338 56 HZ1 LYS 11 3HZ LYS 11 -0.347 4.679 -6.694 57 HZ2 LYS 11 1HZ LYS 11 -1.911 5.259 -6.407 58 HZ3 LYS 11 2HZ LYS 11 -1.598 3.599 -6.331 59 HA PRO 12 HA PRO 12 7.211 5.554 -1.202 60 HB2 PRO 12 1HB PRO 12 6.792 7.065 1.014 61 HB3 PRO 12 2HB PRO 12 7.151 7.762 -0.569 62 HG2 PRO 12 1HG PRO 12 4.510 7.434 0.800 63 HG3 PRO 12 2HG PRO 12 5.134 8.823 -0.107 64 HD2 PRO 12 1HD PRO 12 3.394 7.046 -1.178 65 HD3 PRO 12 2HD PRO 12 4.627 7.878 -2.147 66 H TYR 13 H TYR 13 4.140 5.110 0.465 67 HA TYR 13 HA TYR 13 5.434 3.240 2.329 68 HB2 TYR 13 1HB TYR 13 2.653 4.406 2.530 69 HB3 TYR 13 2HB TYR 13 3.530 3.522 3.774 70 HD1 TYR 13 HD1 TYR 13 5.547 4.581 4.832 71 HD2 TYR 13 HD2 TYR 13 2.926 6.741 2.269 72 HE1 TYR 13 HE1 TYR 13 6.436 6.697 5.715 73 HE2 TYR 13 HE2 TYR 13 3.809 8.863 3.144 74 HH TYR 13 HH TYR 13 6.616 9.141 4.805 75 H SER 14 H SER 14 4.819 1.129 2.452 76 HA SER 14 HA SER 14 2.549 0.186 0.892 77 HB2 SER 14 1HB SER 14 5.378 -0.772 0.397 78 HB3 SER 14 2HB SER 14 3.929 -1.537 -0.256 79 HG SER 14 HG SER 14 4.256 -0.181 -1.837 80 H CYS 15 H CYS 15 1.885 -1.953 1.431 81 HA CYS 15 HA CYS 15 2.588 -2.673 4.159 82 HB2 CYS 15 1HB CYS 15 0.251 -2.630 3.782 83 HB3 CYS 15 2HB CYS 15 0.398 -3.532 2.277 84 H ASN 16 H ASN 16 3.965 -4.239 4.658 85 HA ASN 16 HA ASN 16 4.827 -6.078 2.542 86 HB2 ASN 16 1HB ASN 16 6.789 -6.499 3.979 87 HB3 ASN 16 2HB ASN 16 6.609 -4.788 3.603 88 HD21 ASN 16 1HD2 ASN 16 8.138 -5.655 5.715 89 HD22 ASN 16 2HD2 ASN 16 7.386 -5.184 7.198 90 H VAL 17 H VAL 17 2.339 -6.593 3.701 91 HA VAL 17 HA VAL 17 2.914 -9.087 5.157 92 HB VAL 17 HB VAL 17 0.593 -7.222 5.669 93 HG11 VAL 17 1HG1 VAL 17 -0.008 -8.794 7.457 94 HG12 VAL 17 2HG1 VAL 17 -0.082 -9.550 5.864 95 HG13 VAL 17 3HG1 VAL 17 1.284 -9.873 6.932 96 HG21 VAL 17 3HG2 VAL 17 2.308 -6.225 6.822 97 HG22 VAL 17 1HG2 VAL 17 1.738 -7.374 8.032 98 HG23 VAL 17 2HG2 VAL 17 3.170 -7.743 7.072 99 H CYS 18 H CYS 18 0.383 -7.359 3.336 100 HA CYS 18 HA CYS 18 -0.389 -9.941 2.143 101 HB2 CYS 18 1HB CYS 18 -2.628 -9.076 1.873 102 HB3 CYS 18 2HB CYS 18 -2.140 -8.864 3.552 103 H GLY 19 H GLY 19 -0.044 -6.465 1.499 104 HA2 GLY 19 1HA GLY 19 1.342 -6.078 -0.590 105 HA3 GLY 19 2HA GLY 19 0.154 -7.108 -1.376 106 H LYS 20 H LYS 20 0.552 -4.052 0.360 107 HA LYS 20 HA LYS 20 -1.529 -2.895 -1.341 108 HB2 LYS 20 1HB LYS 20 -2.327 -3.613 1.052 109 HB3 LYS 20 2HB LYS 20 -1.479 -2.159 1.562 110 HG2 LYS 20 1HG LYS 20 -2.914 -0.760 0.365 111 HG3 LYS 20 2HG LYS 20 -3.526 -2.086 -0.626 112 HD2 LYS 20 1HD LYS 20 -3.927 -2.228 2.319 113 HD3 LYS 20 2HD LYS 20 -4.922 -1.100 1.395 114 HE2 LYS 20 1HE LYS 20 -6.223 -2.992 1.326 115 HE3 LYS 20 2HE LYS 20 -5.291 -3.173 -0.160 116 HZ1 LYS 20 3HZ LYS 20 -3.950 -4.325 2.076 117 HZ2 LYS 20 1HZ LYS 20 -4.374 -5.030 0.598 118 HZ3 LYS 20 2HZ LYS 20 -5.488 -4.998 1.870 119 H ALA 21 H ALA 21 -1.567 -0.439 -1.056 120 HA ALA 21 HA ALA 21 1.103 0.611 -0.429 121 HB1 ALA 21 3HB ALA 21 0.514 2.132 -2.562 122 HB2 ALA 21 1HB ALA 21 1.458 0.645 -2.659 123 HB3 ALA 21 2HB ALA 21 -0.263 0.624 -3.044 124 H PHE 22 H PHE 22 1.168 2.838 0.103 125 HA PHE 22 HA PHE 22 -1.352 4.268 0.348 126 HB2 PHE 22 1HB PHE 22 0.382 3.874 2.787 127 HB3 PHE 22 2HB PHE 22 -1.207 4.629 2.706 128 HD1 PHE 22 HD2 PHE 22 0.589 1.415 2.432 129 HD2 PHE 22 HD1 PHE 22 -3.176 3.351 2.870 130 HE1 PHE 22 HE2 PHE 22 -0.460 -0.750 2.950 131 HE2 PHE 22 HE1 PHE 22 -4.231 1.189 3.389 132 HZ PHE 22 HZ PHE 22 -2.873 -0.865 3.429 133 H VAL 23 H VAL 23 -1.124 6.488 0.445 134 HA VAL 23 HA VAL 23 1.376 7.525 -0.504 135 HB VAL 23 HB VAL 23 -1.157 8.970 0.288 136 HG11 VAL 23 1HG1 VAL 23 -0.212 10.935 -0.245 137 HG12 VAL 23 2HG1 VAL 23 1.310 10.094 0.057 138 HG13 VAL 23 3HG1 VAL 23 0.697 10.246 -1.590 139 HG21 VAL 23 3HG2 VAL 23 -0.856 7.269 -1.791 140 HG22 VAL 23 1HG2 VAL 23 -1.941 8.659 -1.802 141 HG23 VAL 23 2HG2 VAL 23 -0.342 8.784 -2.535 142 H LEU 24 H LEU 24 -0.469 7.740 2.504 143 HA LEU 24 HA LEU 24 1.791 9.160 3.740 144 HB2 LEU 24 1HB LEU 24 -1.012 8.875 4.805 145 HB3 LEU 24 2HB LEU 24 0.265 9.915 5.432 146 HG LEU 24 HG LEU 24 -1.061 10.249 2.742 147 HD11 LEU 24 1HD1 LEU 24 -1.885 12.381 4.029 148 HD12 LEU 24 2HD1 LEU 24 -1.666 11.349 5.442 149 HD13 LEU 24 3HD1 LEU 24 -2.761 10.855 4.151 150 HD21 LEU 24 3HD2 LEU 24 0.446 11.827 2.298 151 HD22 LEU 24 1HD2 LEU 24 1.383 11.186 3.647 152 HD23 LEU 24 2HD2 LEU 24 0.282 12.539 3.904 153 H SER 25 H SER 25 1.911 8.641 6.204 154 HA SER 25 HA SER 25 2.496 5.832 6.401 155 HB2 SER 25 1HB SER 25 2.704 8.023 8.482 156 HB3 SER 25 2HB SER 25 3.371 6.398 8.634 157 HG SER 25 HG SER 25 4.892 6.863 7.181 158 H ALA 26 H ALA 26 0.314 8.077 8.091 159 HA ALA 26 HA ALA 26 -0.868 6.385 9.894 160 HB1 ALA 26 3HB ALA 26 -2.560 8.321 8.363 161 HB2 ALA 26 1HB ALA 26 -2.592 7.921 10.080 162 HB3 ALA 26 2HB ALA 26 -1.276 8.897 9.426 163 H HIS 27 H HIS 27 -1.826 6.876 6.503 164 HA HIS 27 HA HIS 27 -4.024 5.179 6.442 165 HB2 HIS 27 1HB HIS 27 -2.020 5.814 4.270 166 HB3 HIS 27 2HB HIS 27 -3.540 4.969 3.991 167 HD2 HIS 27 HD2 HIS 27 -5.079 7.236 6.153 168 HE1 HIS 27 HE1 HIS 27 -4.301 9.765 2.837 169 HE2 HIS 27 HE2 HIS 27 -5.555 9.505 5.006 170 H LEU 28 H LEU 28 -0.599 4.437 5.915 171 HA LEU 28 HA LEU 28 -0.956 1.717 5.259 172 HB2 LEU 28 1HB LEU 28 1.101 2.701 4.686 173 HB3 LEU 28 2HB LEU 28 1.365 3.294 6.325 174 HG LEU 28 HG LEU 28 1.694 0.942 7.063 175 HD11 LEU 28 1HD1 LEU 28 2.292 -0.609 5.064 176 HD12 LEU 28 2HD1 LEU 28 1.215 0.453 4.156 177 HD13 LEU 28 3HD1 LEU 28 0.609 -0.427 5.559 178 HD21 LEU 28 3HD2 LEU 28 3.915 0.973 6.546 179 HD22 LEU 28 1HD2 LEU 28 3.490 2.623 6.091 180 HD23 LEU 28 2HD2 LEU 28 3.632 1.376 4.852 181 H ASN 29 H ASN 29 -0.247 3.338 8.336 182 HA ASN 29 HA ASN 29 0.035 1.061 9.925 183 HB2 ASN 29 1HB ASN 29 0.697 2.998 11.005 184 HB3 ASN 29 2HB ASN 29 -0.711 3.907 10.463 185 HD21 ASN 29 1HD2 ASN 29 -1.672 4.575 12.254 186 HD22 ASN 29 2HD2 ASN 29 -2.130 3.571 13.583 187 H GLN 30 H GLN 30 -2.861 3.118 9.574 188 HA GLN 30 HA GLN 30 -4.664 1.721 11.049 189 HB2 GLN 30 1HB GLN 30 -5.003 3.171 8.437 190 HB3 GLN 30 2HB GLN 30 -6.374 2.442 9.261 191 HG2 GLN 30 1HG GLN 30 -4.590 4.288 10.769 192 HG3 GLN 30 2HG GLN 30 -5.764 4.952 9.634 193 HE21 GLN 30 1HE2 GLN 30 -6.622 5.936 11.606 194 HE22 GLN 30 2HE2 GLN 30 -7.737 5.032 12.567 195 H HIS 31 H HIS 31 -3.430 0.870 7.879 196 HA HIS 31 HA HIS 31 -5.281 -1.209 7.337 197 HB2 HIS 31 1HB HIS 31 -4.001 -0.216 5.536 198 HB3 HIS 31 2HB HIS 31 -2.488 -0.717 6.286 199 HD1 HIS 31 HD1 HIS 31 -5.650 -2.517 5.137 200 HD2 HIS 31 HD2 HIS 31 -1.514 -2.905 5.058 201 HE1 HIS 31 HE1 HIS 31 -5.199 -4.647 3.879 202 H LEU 32 H LEU 32 -1.844 -1.414 8.283 203 HA LEU 32 HA LEU 32 -1.535 -4.061 8.682 204 HB2 LEU 32 1HB LEU 32 -0.598 -1.899 10.562 205 HB3 LEU 32 2HB LEU 32 0.042 -3.540 10.497 206 HG LEU 32 HG LEU 32 0.172 -1.648 8.159 207 HD11 LEU 32 1HD1 LEU 32 1.472 -0.459 9.618 208 HD12 LEU 32 2HD1 LEU 32 2.666 -1.589 8.980 209 HD13 LEU 32 3HD1 LEU 32 1.926 -1.885 10.553 210 HD21 LEU 32 3HD2 LEU 32 0.811 -4.401 8.568 211 HD22 LEU 32 1HD2 LEU 32 2.295 -3.501 8.254 212 HD23 LEU 32 2HD2 LEU 32 0.961 -3.431 7.102 213 H ARG 33 H ARG 33 -3.567 -1.960 10.530 214 HA ARG 33 HA ARG 33 -3.859 -3.290 12.924 215 HB2 ARG 33 1HB ARG 33 -6.107 -2.042 11.335 216 HB3 ARG 33 2HB ARG 33 -6.071 -2.304 13.073 217 HG2 ARG 33 1HG ARG 33 -4.170 -0.504 11.587 218 HG3 ARG 33 2HG ARG 33 -5.640 0.038 12.400 219 HD2 ARG 33 1HD ARG 33 -3.641 -1.572 13.919 220 HD3 ARG 33 2HD ARG 33 -3.318 0.135 13.616 221 HE ARG 33 HE ARG 33 -5.920 -0.439 14.737 222 HH11 ARG 33 1HH1 ARG 33 -2.592 0.361 15.371 223 HH12 ARG 33 2HH1 ARG 33 -2.913 1.013 16.944 224 HH21 ARG 33 1HH2 ARG 33 -6.355 0.417 16.806 225 HH22 ARG 33 2HH2 ARG 33 -5.053 1.043 17.759 226 H VAL 34 H VAL 34 -5.479 -3.965 9.842 227 HA VAL 34 HA VAL 34 -7.163 -6.015 10.743 228 HB VAL 34 HB VAL 34 -7.489 -6.619 8.473 229 HG11 VAL 34 1HG1 VAL 34 -8.583 -4.665 8.422 230 HG12 VAL 34 2HG1 VAL 34 -7.245 -3.788 9.168 231 HG13 VAL 34 3HG1 VAL 34 -7.234 -4.107 7.433 232 HG21 VAL 34 3HG2 VAL 34 -5.453 -7.027 7.501 233 HG22 VAL 34 1HG2 VAL 34 -5.859 -5.484 6.749 234 HG23 VAL 34 2HG2 VAL 34 -4.739 -5.534 8.110 235 H HIS 35 H HIS 35 -3.792 -6.024 9.796 236 HA HIS 35 HA HIS 35 -3.556 -8.876 9.670 237 HB2 HIS 35 1HB HIS 35 -1.379 -6.796 9.968 238 HB3 HIS 35 2HB HIS 35 -1.158 -8.473 9.479 239 HD1 HIS 35 HD1 HIS 35 -3.457 -8.638 7.397 240 HD2 HIS 35 HD2 HIS 35 -0.694 -5.545 7.638 241 HE1 HIS 35 HE1 HIS 35 -3.404 -7.604 5.105 242 H THR 36 H THR 36 -2.769 -6.393 12.070 243 HA THR 36 HA THR 36 -1.798 -8.347 13.965 244 HB THR 36 HB THR 36 -0.746 -6.167 13.967 245 HG1 THR 36 HG1 THR 36 -2.348 -6.352 16.313 246 HG21 THR 36 3HG2 THR 36 -2.019 -4.164 14.711 247 HG22 THR 36 1HG2 THR 36 -3.503 -5.109 14.595 248 HG23 THR 36 2HG2 THR 36 -2.547 -4.787 13.148 249 H GLN 37 H GLN 37 -4.285 -9.136 13.337 250 HA GLN 37 HA GLN 37 -5.928 -8.301 15.635 251 HB2 GLN 37 1HB GLN 37 -6.623 -8.976 12.824 252 HB3 GLN 37 2HB GLN 37 -7.754 -9.472 14.076 253 HG2 GLN 37 1HG GLN 37 -6.861 -6.696 13.374 254 HG3 GLN 37 2HG GLN 37 -8.488 -7.373 13.314 255 HE21 GLN 37 1HE2 GLN 37 -9.644 -7.640 15.227 256 HE22 GLN 37 2HE2 GLN 37 -9.197 -6.834 16.688 257 H GLU 38 H GLU 38 -5.378 -11.101 13.493 258 HA GLU 38 HA GLU 38 -5.997 -12.867 15.756 259 HB2 GLU 38 1HB GLU 38 -5.834 -13.455 12.795 260 HB3 GLU 38 2HB GLU 38 -6.199 -14.645 14.036 261 HG2 GLU 38 1HG GLU 38 -7.851 -12.249 13.281 262 HG3 GLU 38 2HG GLU 38 -8.237 -13.945 12.997 263 H THR 39 H THR 39 -4.465 -14.051 16.705 264 HA THR 39 HA THR 39 -1.833 -13.660 16.677 265 HB THR 39 HB THR 39 -2.866 -15.269 18.192 266 HG1 THR 39 HG1 THR 39 -0.502 -15.405 17.307 267 HG21 THR 39 3HG2 THR 39 -3.691 -17.344 17.574 268 HG22 THR 39 1HG2 THR 39 -2.772 -17.378 16.070 269 HG23 THR 39 2HG2 THR 39 -4.189 -16.338 16.214 270 H LEU 40 H LEU 40 -0.361 -13.539 15.125 271 HA LEU 40 HA LEU 40 -0.552 -15.407 12.854 272 HB2 LEU 40 1HB LEU 40 0.447 -13.755 11.456 273 HB3 LEU 40 2HB LEU 40 -0.909 -13.013 12.303 274 HG LEU 40 HG LEU 40 1.810 -12.685 13.463 275 HD11 LEU 40 1HD1 LEU 40 2.612 -11.245 11.917 276 HD12 LEU 40 2HD1 LEU 40 1.009 -10.695 11.432 277 HD13 LEU 40 3HD1 LEU 40 1.633 -12.232 10.832 278 HD21 LEU 40 3HD2 LEU 40 -0.253 -10.559 13.125 279 HD22 LEU 40 1HD2 LEU 40 0.916 -10.801 14.424 280 HD23 LEU 40 2HD2 LEU 40 -0.513 -11.830 14.320 281 H SER 41 H SER 41 1.464 -14.061 15.338 282 HA SER 41 HA SER 41 3.888 -15.259 14.292 283 HB2 SER 41 1HB SER 41 3.630 -13.042 15.681 284 HB3 SER 41 2HB SER 41 3.675 -14.137 17.063 285 HG SER 41 HG SER 41 5.654 -14.990 15.952 286 H GLY 42 H GLY 42 5.114 -16.861 15.408 287 HA2 GLY 42 1HA GLY 42 3.988 -19.201 16.014 288 HA3 GLY 42 2HA GLY 42 5.433 -18.658 16.855 289 HA PRO 43 HA PRO 43 1.483 -18.893 19.611 290 HB2 PRO 43 1HB PRO 43 1.522 -21.491 20.396 291 HB3 PRO 43 2HB PRO 43 0.605 -20.925 18.995 292 HG2 PRO 43 1HG PRO 43 3.284 -22.259 19.093 293 HG3 PRO 43 2HG PRO 43 1.930 -22.547 17.984 294 HD2 PRO 43 1HD PRO 43 4.084 -21.056 17.298 295 HD3 PRO 43 2HD PRO 43 2.457 -20.728 16.669 296 H SER 44 H SER 44 3.049 -17.596 20.791 297 HA SER 44 HA SER 44 5.193 -18.645 22.255 298 HB2 SER 44 1HB SER 44 4.538 -16.174 21.772 299 HB3 SER 44 2HB SER 44 3.583 -16.308 23.249 300 HG SER 44 HG SER 44 6.219 -17.194 23.354 301 H SER 45 H SER 45 5.295 -19.851 24.030 302 HA SER 45 HA SER 45 3.275 -21.221 25.186 303 HB2 SER 45 1HB SER 45 4.710 -21.350 27.261 304 HB3 SER 45 2HB SER 45 5.540 -21.756 25.759 305 HG SER 45 HG SER 45 6.591 -20.228 27.315 306 H GLY 46 H GLY 46 4.484 -18.074 26.334 307 HA2 GLY 46 1HA GLY 46 3.376 -16.380 27.437 308 HA3 GLY 46 2HA GLY 46 1.875 -17.249 27.154 Start of MODEL 11 1 H1 GLY 1 H GLY 1 10.290 -2.438 -25.954 2 HA2 GLY 1 1HA GLY 1 10.576 -0.955 -24.036 3 HA3 GLY 1 2HA GLY 1 12.124 -1.136 -24.847 4 H SER 2 H SER 2 12.566 0.943 -23.776 5 HA SER 2 HA SER 2 12.204 3.101 -25.618 6 HB2 SER 2 1HB SER 2 11.147 4.633 -23.897 7 HB3 SER 2 2HB SER 2 10.081 3.394 -24.560 8 HG SER 2 HG SER 2 9.886 3.486 -22.306 9 H SER 3 H SER 3 13.210 5.164 -24.703 10 HA SER 3 HA SER 3 15.620 4.389 -23.216 11 HB2 SER 3 1HB SER 3 16.128 5.338 -25.368 12 HB3 SER 3 2HB SER 3 15.066 6.714 -25.070 13 HG SER 3 HG SER 3 16.750 7.648 -24.254 14 H GLY 4 H GLY 4 14.681 4.510 -21.135 15 HA2 GLY 4 1HA GLY 4 14.107 5.542 -19.166 16 HA3 GLY 4 2HA GLY 4 15.032 6.907 -19.774 17 H SER 5 H SER 5 12.059 5.522 -21.104 18 HA SER 5 HA SER 5 10.846 8.165 -21.048 19 HB2 SER 5 1HB SER 5 10.763 6.571 -23.051 20 HB3 SER 5 2HB SER 5 9.585 5.643 -22.124 21 HG SER 5 HG SER 5 9.306 8.412 -22.649 22 H SER 6 H SER 6 9.843 4.876 -20.091 23 HA SER 6 HA SER 6 7.534 5.269 -18.808 24 HB2 SER 6 1HB SER 6 8.252 3.537 -17.124 25 HB3 SER 6 2HB SER 6 8.532 3.084 -18.805 26 HG SER 6 HG SER 6 10.636 3.197 -18.503 27 H GLY 7 H GLY 7 6.734 6.403 -17.149 28 HA2 GLY 7 1HA GLY 7 8.514 8.180 -15.706 29 HA3 GLY 7 2HA GLY 7 6.758 8.181 -15.642 30 H THR 8 H THR 8 9.228 7.945 -13.691 31 HA THR 8 HA THR 8 8.615 5.530 -12.245 32 HB THR 8 HB THR 8 10.218 6.427 -10.550 33 HG1 THR 8 HG1 THR 8 9.772 8.690 -11.134 34 HG21 THR 8 3HG2 THR 8 10.729 5.352 -13.027 35 HG22 THR 8 1HG2 THR 8 11.911 5.555 -11.735 36 HG23 THR 8 2HG2 THR 8 11.769 6.775 -13.001 37 H GLY 9 H GLY 9 6.844 5.356 -11.039 38 HA2 GLY 9 1HA GLY 9 6.222 7.454 -9.117 39 HA3 GLY 9 2HA GLY 9 4.978 7.112 -10.311 40 H GLU 10 H GLU 10 5.962 6.442 -7.250 41 HA GLU 10 HA GLU 10 4.157 4.184 -7.065 42 HB2 GLU 10 1HB GLU 10 5.784 2.751 -5.891 43 HB3 GLU 10 2HB GLU 10 6.250 3.054 -7.559 44 HG2 GLU 10 1HG GLU 10 7.867 4.705 -6.839 45 HG3 GLU 10 2HG GLU 10 7.367 4.491 -5.163 46 H LYS 11 H LYS 11 3.462 3.751 -4.924 47 HA LYS 11 HA LYS 11 3.273 6.038 -3.277 48 HB2 LYS 11 1HB LYS 11 2.409 3.193 -3.083 49 HB3 LYS 11 2HB LYS 11 2.434 4.144 -1.603 50 HG2 LYS 11 1HG LYS 11 0.240 4.257 -2.510 51 HG3 LYS 11 2HG LYS 11 1.001 5.832 -2.748 52 HD2 LYS 11 1HD LYS 11 1.236 3.818 -4.924 53 HD3 LYS 11 2HD LYS 11 -0.324 4.612 -4.691 54 HE2 LYS 11 1HE LYS 11 2.295 6.070 -5.016 55 HE3 LYS 11 2HE LYS 11 1.171 5.745 -6.335 56 HZ1 LYS 11 3HZ LYS 11 -0.086 7.454 -5.729 57 HZ2 LYS 11 1HZ LYS 11 1.142 7.914 -4.659 58 HZ3 LYS 11 2HZ LYS 11 -0.139 6.954 -4.113 59 HA PRO 12 HA PRO 12 6.947 5.743 -0.864 60 HB2 PRO 12 1HB PRO 12 6.145 7.183 1.293 61 HB3 PRO 12 2HB PRO 12 6.542 7.923 -0.262 62 HG2 PRO 12 1HG PRO 12 3.860 7.247 0.883 63 HG3 PRO 12 2HG PRO 12 4.371 8.708 0.017 64 HD2 PRO 12 1HD PRO 12 2.978 6.718 -1.179 65 HD3 PRO 12 2HD PRO 12 4.169 7.706 -2.049 66 H TYR 13 H TYR 13 3.840 4.756 0.402 67 HA TYR 13 HA TYR 13 5.208 3.094 2.413 68 HB2 TYR 13 1HB TYR 13 2.320 3.990 2.420 69 HB3 TYR 13 2HB TYR 13 3.149 3.110 3.699 70 HD1 TYR 13 HD1 TYR 13 4.818 4.245 5.106 71 HD2 TYR 13 HD2 TYR 13 2.596 6.363 2.159 72 HE1 TYR 13 HE1 TYR 13 5.463 6.373 6.157 73 HE2 TYR 13 HE2 TYR 13 3.236 8.496 3.201 74 HH TYR 13 HH TYR 13 5.641 8.986 5.064 75 H SER 14 H SER 14 4.780 0.925 2.521 76 HA SER 14 HA SER 14 2.799 -0.223 0.710 77 HB2 SER 14 1HB SER 14 5.727 -0.994 0.665 78 HB3 SER 14 2HB SER 14 4.442 -1.836 -0.200 79 HG SER 14 HG SER 14 4.687 0.913 -0.599 80 H CYS 15 H CYS 15 2.029 -2.228 1.336 81 HA CYS 15 HA CYS 15 2.619 -2.951 4.096 82 HB2 CYS 15 1HB CYS 15 0.293 -2.776 3.649 83 HB3 CYS 15 2HB CYS 15 0.430 -3.726 2.173 84 H ASN 16 H ASN 16 4.123 -4.419 4.501 85 HA ASN 16 HA ASN 16 4.847 -6.365 2.452 86 HB2 ASN 16 1HB ASN 16 6.732 -6.895 4.041 87 HB3 ASN 16 2HB ASN 16 6.717 -5.241 3.435 88 HD21 ASN 16 1HD2 ASN 16 5.792 -3.598 4.838 89 HD22 ASN 16 2HD2 ASN 16 5.944 -3.776 6.549 90 H VAL 17 H VAL 17 2.338 -6.815 3.532 91 HA VAL 17 HA VAL 17 2.799 -9.322 5.000 92 HB VAL 17 HB VAL 17 0.554 -7.372 5.539 93 HG11 VAL 17 1HG1 VAL 17 1.158 -10.107 6.641 94 HG12 VAL 17 2HG1 VAL 17 0.065 -8.967 7.428 95 HG13 VAL 17 3HG1 VAL 17 -0.302 -9.568 5.811 96 HG21 VAL 17 3HG2 VAL 17 1.595 -6.794 7.527 97 HG22 VAL 17 1HG2 VAL 17 2.614 -8.233 7.530 98 HG23 VAL 17 2HG2 VAL 17 2.955 -6.914 6.410 99 H CYS 18 H CYS 18 0.365 -7.457 3.184 100 HA CYS 18 HA CYS 18 -0.546 -9.991 1.986 101 HB2 CYS 18 1HB CYS 18 -2.732 -8.943 1.672 102 HB3 CYS 18 2HB CYS 18 -2.266 -8.901 3.369 103 H GLY 19 H GLY 19 0.014 -6.542 1.362 104 HA2 GLY 19 1HA GLY 19 1.398 -6.188 -0.714 105 HA3 GLY 19 2HA GLY 19 0.196 -7.190 -1.515 106 H LYS 20 H LYS 20 0.554 -4.178 0.328 107 HA LYS 20 HA LYS 20 -1.434 -2.954 -1.448 108 HB2 LYS 20 1HB LYS 20 -2.314 -3.674 0.906 109 HB3 LYS 20 2HB LYS 20 -1.430 -2.262 1.469 110 HG2 LYS 20 1HG LYS 20 -2.821 -0.787 0.379 111 HG3 LYS 20 2HG LYS 20 -3.343 -1.989 -0.803 112 HD2 LYS 20 1HD LYS 20 -4.389 -3.184 1.248 113 HD3 LYS 20 2HD LYS 20 -4.228 -1.611 2.034 114 HE2 LYS 20 1HE LYS 20 -5.688 -2.144 -0.552 115 HE3 LYS 20 2HE LYS 20 -6.445 -1.918 1.024 116 HZ1 LYS 20 3HZ LYS 20 -5.893 0.042 -0.787 117 HZ2 LYS 20 1HZ LYS 20 -4.658 0.213 0.357 118 HZ3 LYS 20 2HZ LYS 20 -6.276 0.278 0.844 119 H ALA 21 H ALA 21 -1.454 -0.479 -1.034 120 HA ALA 21 HA ALA 21 1.141 0.572 -0.236 121 HB1 ALA 21 3HB ALA 21 0.972 1.916 -2.538 122 HB2 ALA 21 1HB ALA 21 1.848 0.394 -2.380 123 HB3 ALA 21 2HB ALA 21 0.212 0.406 -3.039 124 H PHE 22 H PHE 22 1.050 2.642 0.504 125 HA PHE 22 HA PHE 22 -1.491 4.090 0.175 126 HB2 PHE 22 1HB PHE 22 0.114 3.907 2.733 127 HB3 PHE 22 2HB PHE 22 -1.381 4.809 2.507 128 HD1 PHE 22 HD2 PHE 22 0.062 1.404 2.551 129 HD2 PHE 22 HD1 PHE 22 -3.469 3.772 2.750 130 HE1 PHE 22 HE2 PHE 22 -1.230 -0.584 3.210 131 HE2 PHE 22 HE1 PHE 22 -4.767 1.788 3.410 132 HZ PHE 22 HZ PHE 22 -3.648 -0.393 3.639 133 H VAL 23 H VAL 23 -1.295 6.434 0.682 134 HA VAL 23 HA VAL 23 1.163 7.464 -0.500 135 HB VAL 23 HB VAL 23 -1.408 8.904 0.172 136 HG11 VAL 23 1HG1 VAL 23 -0.136 10.729 -0.052 137 HG12 VAL 23 2HG1 VAL 23 1.210 9.817 -0.739 138 HG13 VAL 23 3HG1 VAL 23 -0.119 10.345 -1.773 139 HG21 VAL 23 3HG2 VAL 23 -1.654 8.891 -2.351 140 HG22 VAL 23 1HG2 VAL 23 -0.382 7.669 -2.371 141 HG23 VAL 23 2HG2 VAL 23 -1.901 7.347 -1.535 142 H LEU 24 H LEU 24 -0.669 7.615 2.493 143 HA LEU 24 HA LEU 24 1.458 9.274 3.674 144 HB2 LEU 24 1HB LEU 24 -1.345 8.840 4.693 145 HB3 LEU 24 2HB LEU 24 -0.142 9.941 5.360 146 HG LEU 24 HG LEU 24 -1.446 10.202 2.651 147 HD11 LEU 24 1HD1 LEU 24 -1.957 11.523 5.297 148 HD12 LEU 24 2HD1 LEU 24 -3.102 10.714 4.229 149 HD13 LEU 24 3HD1 LEU 24 -2.418 12.272 3.769 150 HD21 LEU 24 3HD2 LEU 24 0.483 11.330 2.280 151 HD22 LEU 24 1HD2 LEU 24 0.789 11.595 3.997 152 HD23 LEU 24 2HD2 LEU 24 -0.380 12.604 3.144 153 H SER 25 H SER 25 1.815 8.839 6.051 154 HA SER 25 HA SER 25 2.431 6.052 6.375 155 HB2 SER 25 1HB SER 25 3.331 6.828 8.610 156 HB3 SER 25 2HB SER 25 4.044 7.616 7.202 157 HG SER 25 HG SER 25 3.056 9.453 7.703 158 H ALA 26 H ALA 26 0.286 8.369 7.998 159 HA ALA 26 HA ALA 26 -0.729 6.751 9.996 160 HB1 ALA 26 3HB ALA 26 -1.162 9.219 9.591 161 HB2 ALA 26 1HB ALA 26 -2.427 8.708 8.474 162 HB3 ALA 26 2HB ALA 26 -2.523 8.264 10.178 163 H HIS 27 H HIS 27 -1.735 6.993 6.613 164 HA HIS 27 HA HIS 27 -4.007 5.353 6.776 165 HB2 HIS 27 1HB HIS 27 -2.135 5.930 4.476 166 HB3 HIS 27 2HB HIS 27 -3.631 5.016 4.304 167 HD2 HIS 27 HD2 HIS 27 -5.167 7.309 6.437 168 HE1 HIS 27 HE1 HIS 27 -4.630 9.730 2.995 169 HE2 HIS 27 HE2 HIS 27 -5.781 9.509 5.224 170 H LEU 28 H LEU 28 -0.684 4.540 5.777 171 HA LEU 28 HA LEU 28 -1.062 1.821 5.356 172 HB2 LEU 28 1HB LEU 28 0.960 2.757 4.626 173 HB3 LEU 28 2HB LEU 28 1.321 3.427 6.216 174 HG LEU 28 HG LEU 28 1.674 1.095 7.037 175 HD11 LEU 28 1HD1 LEU 28 1.837 -0.723 5.542 176 HD12 LEU 28 2HD1 LEU 28 1.705 0.325 4.131 177 HD13 LEU 28 3HD1 LEU 28 0.306 0.071 5.174 178 HD21 LEU 28 3HD2 LEU 28 3.533 1.453 4.750 179 HD22 LEU 28 1HD2 LEU 28 3.874 1.135 6.452 180 HD23 LEU 28 2HD2 LEU 28 3.420 2.759 5.932 181 H ASN 29 H ASN 29 -0.248 3.548 8.339 182 HA ASN 29 HA ASN 29 0.172 1.326 9.983 183 HB2 ASN 29 1HB ASN 29 -0.724 4.145 10.535 184 HB3 ASN 29 2HB ASN 29 -0.586 2.964 11.835 185 HD21 ASN 29 1HD2 ASN 29 0.902 5.362 11.589 186 HD22 ASN 29 2HD2 ASN 29 2.568 4.931 11.432 187 H GLN 30 H GLN 30 -2.793 3.253 9.533 188 HA GLN 30 HA GLN 30 -4.481 1.829 11.191 189 HB2 GLN 30 1HB GLN 30 -5.033 3.279 8.606 190 HB3 GLN 30 2HB GLN 30 -6.313 2.591 9.598 191 HG2 GLN 30 1HG GLN 30 -4.350 4.439 10.858 192 HG3 GLN 30 2HG GLN 30 -5.622 5.102 9.833 193 HE21 GLN 30 1HE2 GLN 30 -5.082 5.220 12.773 194 HE22 GLN 30 2HE2 GLN 30 -6.563 4.723 13.511 195 H HIS 31 H HIS 31 -3.356 1.045 7.975 196 HA HIS 31 HA HIS 31 -5.223 -1.031 7.454 197 HB2 HIS 31 1HB HIS 31 -4.095 -0.080 5.584 198 HB3 HIS 31 2HB HIS 31 -2.513 -0.378 6.298 199 HD1 HIS 31 HD1 HIS 31 -5.476 -2.449 5.098 200 HD2 HIS 31 HD2 HIS 31 -1.330 -2.599 5.319 201 HE1 HIS 31 HE1 HIS 31 -4.818 -4.585 3.946 202 H LEU 32 H LEU 32 -1.859 -1.058 8.610 203 HA LEU 32 HA LEU 32 -1.318 -3.700 8.810 204 HB2 LEU 32 1HB LEU 32 -0.767 -1.604 10.903 205 HB3 LEU 32 2HB LEU 32 0.007 -3.186 10.837 206 HG LEU 32 HG LEU 32 0.236 -1.124 8.651 207 HD11 LEU 32 1HD1 LEU 32 1.170 -0.328 10.818 208 HD12 LEU 32 2HD1 LEU 32 2.371 -0.520 9.541 209 HD13 LEU 32 3HD1 LEU 32 2.240 -1.731 10.817 210 HD21 LEU 32 3HD2 LEU 32 1.162 -2.795 7.522 211 HD22 LEU 32 1HD2 LEU 32 0.990 -3.879 8.902 212 HD23 LEU 32 2HD2 LEU 32 2.431 -2.873 8.745 213 H ARG 33 H ARG 33 -3.661 -1.934 10.665 214 HA ARG 33 HA ARG 33 -4.038 -3.523 12.880 215 HB2 ARG 33 1HB ARG 33 -5.942 -1.928 11.194 216 HB3 ARG 33 2HB ARG 33 -6.534 -2.867 12.558 217 HG2 ARG 33 1HG ARG 33 -4.737 -1.618 13.916 218 HG3 ARG 33 2HG ARG 33 -4.709 -0.499 12.552 219 HD2 ARG 33 1HD ARG 33 -6.907 0.173 12.898 220 HD3 ARG 33 2HD ARG 33 -7.302 -1.269 13.832 221 HE ARG 33 HE ARG 33 -6.639 -0.157 15.705 222 HH11 ARG 33 1HH1 ARG 33 -5.167 1.363 12.940 223 HH12 ARG 33 2HH1 ARG 33 -4.459 2.648 13.860 224 HH21 ARG 33 1HH2 ARG 33 -5.711 1.531 16.927 225 HH22 ARG 33 2HH2 ARG 33 -4.768 2.743 16.128 226 H VAL 34 H VAL 34 -5.529 -3.928 9.673 227 HA VAL 34 HA VAL 34 -7.097 -6.141 10.163 228 HB VAL 34 HB VAL 34 -6.981 -6.654 7.808 229 HG11 VAL 34 1HG1 VAL 34 -8.338 -4.894 7.658 230 HG12 VAL 34 2HG1 VAL 34 -7.380 -3.964 8.812 231 HG13 VAL 34 3HG1 VAL 34 -6.938 -3.977 7.104 232 HG21 VAL 34 3HG2 VAL 34 -5.051 -4.653 6.994 233 HG22 VAL 34 1HG2 VAL 34 -4.324 -5.893 8.015 234 HG23 VAL 34 2HG2 VAL 34 -5.173 -6.352 6.539 235 H HIS 35 H HIS 35 -3.689 -5.924 10.195 236 HA HIS 35 HA HIS 35 -3.388 -8.834 9.952 237 HB2 HIS 35 1HB HIS 35 -1.226 -6.721 10.038 238 HB3 HIS 35 2HB HIS 35 -1.014 -8.429 9.661 239 HD1 HIS 35 HD1 HIS 35 -3.173 -8.878 7.586 240 HD2 HIS 35 HD2 HIS 35 -0.769 -5.490 7.670 241 HE1 HIS 35 HE1 HIS 35 -3.210 -7.969 5.241 242 H THR 36 H THR 36 -2.145 -6.175 11.981 243 HA THR 36 HA THR 36 -1.353 -7.946 14.081 244 HB THR 36 HB THR 36 -0.170 -5.841 13.757 245 HG1 THR 36 HG1 THR 36 -0.127 -6.574 15.866 246 HG21 THR 36 3HG2 THR 36 -2.381 -4.644 13.089 247 HG22 THR 36 1HG2 THR 36 -1.123 -3.731 13.921 248 HG23 THR 36 2HG2 THR 36 -2.523 -4.321 14.817 249 H GLN 37 H GLN 37 -3.680 -8.887 13.977 250 HA GLN 37 HA GLN 37 -5.413 -7.418 15.847 251 HB2 GLN 37 1HB GLN 37 -6.155 -8.251 13.445 252 HB3 GLN 37 2HB GLN 37 -6.402 -9.769 14.299 253 HG2 GLN 37 1HG GLN 37 -8.475 -8.640 14.283 254 HG3 GLN 37 2HG GLN 37 -7.838 -8.515 15.922 255 HE21 GLN 37 1HE2 GLN 37 -9.806 -6.844 14.653 256 HE22 GLN 37 2HE2 GLN 37 -9.173 -5.236 14.654 257 H GLU 38 H GLU 38 -6.439 -8.570 17.551 258 HA GLU 38 HA GLU 38 -4.737 -10.479 18.810 259 HB2 GLU 38 1HB GLU 38 -6.223 -8.722 19.934 260 HB3 GLU 38 2HB GLU 38 -7.557 -9.832 19.649 261 HG2 GLU 38 1HG GLU 38 -5.071 -10.588 21.159 262 HG3 GLU 38 2HG GLU 38 -6.521 -9.943 21.926 263 H THR 39 H THR 39 -4.760 -12.622 18.673 264 HA THR 39 HA THR 39 -7.118 -14.173 18.378 265 HB THR 39 HB THR 39 -7.175 -13.606 16.091 266 HG1 THR 39 HG1 THR 39 -7.327 -15.853 16.380 267 HG21 THR 39 3HG2 THR 39 -4.977 -12.560 15.918 268 HG22 THR 39 1HG2 THR 39 -5.213 -13.721 14.613 269 HG23 THR 39 2HG2 THR 39 -4.203 -14.142 15.996 270 H LEU 40 H LEU 40 -6.762 -16.231 19.028 271 HA LEU 40 HA LEU 40 -3.960 -17.109 19.268 272 HB2 LEU 40 1HB LEU 40 -6.227 -17.310 21.220 273 HB3 LEU 40 2HB LEU 40 -4.854 -18.413 21.295 274 HG LEU 40 HG LEU 40 -4.677 -15.410 21.531 275 HD11 LEU 40 1HD1 LEU 40 -3.950 -16.990 23.853 276 HD12 LEU 40 2HD1 LEU 40 -5.646 -17.184 23.409 277 HD13 LEU 40 3HD1 LEU 40 -4.996 -15.576 23.727 278 HD21 LEU 40 3HD2 LEU 40 -2.716 -17.497 21.121 279 HD22 LEU 40 1HD2 LEU 40 -2.422 -16.611 22.617 280 HD23 LEU 40 2HD2 LEU 40 -2.523 -15.744 21.084 281 H SER 41 H SER 41 -3.879 -18.457 17.527 282 HA SER 41 HA SER 41 -5.913 -20.571 17.339 283 HB2 SER 41 1HB SER 41 -5.711 -19.354 15.279 284 HB3 SER 41 2HB SER 41 -3.953 -19.494 15.303 285 HG SER 41 HG SER 41 -5.605 -21.781 15.255 286 H GLY 42 H GLY 42 -5.391 -22.481 18.157 287 HA2 GLY 42 1HA GLY 42 -3.943 -24.434 17.967 288 HA3 GLY 42 2HA GLY 42 -2.569 -23.339 18.009 289 HA PRO 43 HA PRO 43 -4.077 -24.825 22.342 290 HB2 PRO 43 1HB PRO 43 -2.725 -27.163 22.615 291 HB3 PRO 43 2HB PRO 43 -4.374 -27.075 21.985 292 HG2 PRO 43 1HG PRO 43 -1.788 -27.313 20.496 293 HG3 PRO 43 2HG PRO 43 -3.322 -28.158 20.216 294 HD2 PRO 43 1HD PRO 43 -2.541 -26.028 18.738 295 HD3 PRO 43 2HD PRO 43 -4.246 -26.370 19.093 296 H SER 44 H SER 44 -2.752 -23.030 22.898 297 HA SER 44 HA SER 44 0.073 -23.085 22.826 298 HB2 SER 44 1HB SER 44 -1.418 -21.033 23.029 299 HB3 SER 44 2HB SER 44 -1.597 -21.445 24.735 300 HG SER 44 HG SER 44 0.113 -19.952 24.348 301 H SER 45 H SER 45 -2.101 -23.280 25.650 302 HA SER 45 HA SER 45 0.023 -24.335 27.294 303 HB2 SER 45 1HB SER 45 -2.909 -23.829 27.840 304 HB3 SER 45 2HB SER 45 -1.778 -24.440 29.047 305 HG SER 45 HG SER 45 -2.235 -21.942 28.457 306 H GLY 46 H GLY 46 -3.240 -25.545 26.478 307 HA2 GLY 46 1HA GLY 46 -2.311 -28.131 25.760 308 HA3 GLY 46 2HA GLY 46 -2.906 -28.136 27.414 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -15.563 4.945 -9.135 2 HA2 GLY 1 1HA GLY 1 -16.554 7.193 -10.357 3 HA3 GLY 1 2HA GLY 1 -17.531 7.015 -8.907 4 H SER 2 H SER 2 -14.090 6.308 -9.379 5 HA SER 2 HA SER 2 -13.263 7.386 -6.953 6 HB2 SER 2 1HB SER 2 -11.958 5.863 -8.536 7 HB3 SER 2 2HB SER 2 -11.528 7.326 -9.422 8 HG SER 2 HG SER 2 -11.136 7.345 -6.666 9 H SER 3 H SER 3 -13.000 8.858 -10.191 10 HA SER 3 HA SER 3 -12.840 11.022 -10.872 11 HB2 SER 3 1HB SER 3 -14.231 11.556 -8.236 12 HB3 SER 3 2HB SER 3 -14.062 12.720 -9.550 13 HG SER 3 HG SER 3 -15.922 10.846 -9.236 14 H GLY 4 H GLY 4 -10.553 9.975 -9.716 15 HA2 GLY 4 1HA GLY 4 -9.037 12.281 -9.214 16 HA3 GLY 4 2HA GLY 4 -9.421 11.539 -7.668 17 H SER 5 H SER 5 -8.587 9.474 -7.179 18 HA SER 5 HA SER 5 -6.883 7.966 -7.053 19 HB2 SER 5 1HB SER 5 -8.154 7.052 -8.989 20 HB3 SER 5 2HB SER 5 -7.115 7.978 -10.072 21 HG SER 5 HG SER 5 -5.439 6.713 -8.607 22 H SER 6 H SER 6 -6.025 10.595 -6.908 23 HA SER 6 HA SER 6 -4.007 11.371 -8.653 24 HB2 SER 6 1HB SER 6 -4.781 12.949 -7.040 25 HB3 SER 6 2HB SER 6 -4.377 11.878 -5.698 26 HG SER 6 HG SER 6 -2.721 13.293 -5.786 27 H GLY 7 H GLY 7 -2.499 9.935 -9.301 28 HA2 GLY 7 1HA GLY 7 -0.573 9.045 -7.300 29 HA3 GLY 7 2HA GLY 7 -1.386 7.783 -8.214 30 H THR 8 H THR 8 0.968 10.331 -8.300 31 HA THR 8 HA THR 8 1.490 10.105 -11.122 32 HB THR 8 HB THR 8 3.382 11.602 -10.710 33 HG1 THR 8 HG1 THR 8 2.709 11.155 -7.980 34 HG21 THR 8 3HG2 THR 8 0.988 12.533 -9.127 35 HG22 THR 8 1HG2 THR 8 1.046 12.492 -10.889 36 HG23 THR 8 2HG2 THR 8 2.154 13.532 -9.994 37 H GLY 9 H GLY 9 3.465 9.400 -8.226 38 HA2 GLY 9 1HA GLY 9 4.775 7.266 -9.797 39 HA3 GLY 9 2HA GLY 9 5.655 8.294 -8.675 40 H GLU 10 H GLU 10 5.702 5.508 -8.525 41 HA GLU 10 HA GLU 10 3.992 4.101 -7.015 42 HB2 GLU 10 1HB GLU 10 5.843 2.859 -6.102 43 HB3 GLU 10 2HB GLU 10 6.232 3.314 -7.755 44 HG2 GLU 10 1HG GLU 10 7.161 4.915 -5.395 45 HG3 GLU 10 2HG GLU 10 8.070 3.542 -6.025 46 H LYS 11 H LYS 11 3.362 3.895 -4.895 47 HA LYS 11 HA LYS 11 3.364 6.247 -3.312 48 HB2 LYS 11 1HB LYS 11 2.341 3.465 -3.006 49 HB3 LYS 11 2HB LYS 11 2.492 4.446 -1.554 50 HG2 LYS 11 1HG LYS 11 0.265 4.657 -2.381 51 HG3 LYS 11 2HG LYS 11 1.103 6.187 -2.651 52 HD2 LYS 11 1HD LYS 11 1.153 4.164 -4.830 53 HD3 LYS 11 2HD LYS 11 -0.357 5.033 -4.542 54 HE2 LYS 11 1HE LYS 11 0.812 7.159 -4.790 55 HE3 LYS 11 2HE LYS 11 2.334 6.306 -5.038 56 HZ1 LYS 11 3HZ LYS 11 1.857 6.018 -7.171 57 HZ2 LYS 11 1HZ LYS 11 0.534 7.054 -6.972 58 HZ3 LYS 11 2HZ LYS 11 0.328 5.382 -6.829 59 HA PRO 12 HA PRO 12 7.102 5.794 -1.033 60 HB2 PRO 12 1HB PRO 12 6.453 7.262 1.157 61 HB3 PRO 12 2HB PRO 12 6.815 7.988 -0.414 62 HG2 PRO 12 1HG PRO 12 4.158 7.421 0.844 63 HG3 PRO 12 2HG PRO 12 4.692 8.861 -0.043 64 HD2 PRO 12 1HD PRO 12 3.168 6.932 -1.178 65 HD3 PRO 12 2HD PRO 12 4.360 7.871 -2.098 66 H TYR 13 H TYR 13 4.020 4.870 0.301 67 HA TYR 13 HA TYR 13 5.392 3.204 2.307 68 HB2 TYR 13 1HB TYR 13 2.520 4.151 2.330 69 HB3 TYR 13 2HB TYR 13 3.326 3.233 3.597 70 HD1 TYR 13 HD1 TYR 13 5.001 4.304 5.034 71 HD2 TYR 13 HD2 TYR 13 2.881 6.519 2.084 72 HE1 TYR 13 HE1 TYR 13 5.703 6.400 6.113 73 HE2 TYR 13 HE2 TYR 13 3.577 8.621 3.154 74 HH TYR 13 HH TYR 13 4.649 8.887 6.158 75 H SER 14 H SER 14 4.818 1.044 2.525 76 HA SER 14 HA SER 14 2.846 -0.096 0.721 77 HB2 SER 14 1HB SER 14 4.377 -1.642 -0.337 78 HB3 SER 14 2HB SER 14 4.977 -0.002 -0.586 79 HG SER 14 HG SER 14 6.319 -1.978 0.398 80 H CYS 15 H CYS 15 1.955 -1.957 1.482 81 HA CYS 15 HA CYS 15 2.631 -2.705 4.195 82 HB2 CYS 15 1HB CYS 15 0.299 -2.525 3.748 83 HB3 CYS 15 2HB CYS 15 0.427 -3.529 2.308 84 H ASN 16 H ASN 16 4.133 -4.172 4.612 85 HA ASN 16 HA ASN 16 4.843 -6.146 2.585 86 HB2 ASN 16 1HB ASN 16 6.768 -6.633 4.067 87 HB3 ASN 16 2HB ASN 16 6.678 -4.931 3.624 88 HD21 ASN 16 1HD2 ASN 16 6.415 -3.419 5.177 89 HD22 ASN 16 2HD2 ASN 16 6.340 -3.772 6.867 90 H VAL 17 H VAL 17 2.344 -6.606 3.633 91 HA VAL 17 HA VAL 17 2.801 -9.067 5.182 92 HB VAL 17 HB VAL 17 0.506 -7.144 5.588 93 HG11 VAL 17 1HG1 VAL 17 1.109 -9.862 6.707 94 HG12 VAL 17 2HG1 VAL 17 0.078 -8.714 7.564 95 HG13 VAL 17 3HG1 VAL 17 -0.376 -9.280 5.956 96 HG21 VAL 17 3HG2 VAL 17 2.761 -6.476 6.516 97 HG22 VAL 17 1HG2 VAL 17 1.453 -6.609 7.692 98 HG23 VAL 17 2HG2 VAL 17 2.654 -7.893 7.560 99 H CYS 18 H CYS 18 0.210 -7.345 3.428 100 HA CYS 18 HA CYS 18 -0.560 -9.915 2.220 101 HB2 CYS 18 1HB CYS 18 -2.763 -9.013 1.912 102 HB3 CYS 18 2HB CYS 18 -2.282 -8.693 3.575 103 H GLY 19 H GLY 19 -0.032 -6.484 1.488 104 HA2 GLY 19 1HA GLY 19 1.383 -6.187 -0.577 105 HA3 GLY 19 2HA GLY 19 0.201 -7.223 -1.362 106 H LYS 20 H LYS 20 0.444 -4.177 0.456 107 HA LYS 20 HA LYS 20 -1.497 -3.012 -1.415 108 HB2 LYS 20 1HB LYS 20 -2.429 -3.684 0.928 109 HB3 LYS 20 2HB LYS 20 -1.560 -2.261 1.489 110 HG2 LYS 20 1HG LYS 20 -2.937 -0.807 0.368 111 HG3 LYS 20 2HG LYS 20 -3.406 -2.009 -0.836 112 HD2 LYS 20 1HD LYS 20 -4.540 -3.222 1.134 113 HD3 LYS 20 2HD LYS 20 -4.377 -1.684 1.985 114 HE2 LYS 20 1HE LYS 20 -5.601 -1.796 -0.746 115 HE3 LYS 20 2HE LYS 20 -6.559 -2.190 0.680 116 HZ1 LYS 20 3HZ LYS 20 -5.028 0.270 0.834 117 HZ2 LYS 20 1HZ LYS 20 -6.607 -0.058 1.343 118 HZ3 LYS 20 2HZ LYS 20 -6.296 0.274 -0.286 119 H ALA 21 H ALA 21 -1.577 -0.506 -0.940 120 HA ALA 21 HA ALA 21 1.074 0.527 -0.270 121 HB1 ALA 21 3HB ALA 21 -0.262 0.875 -2.943 122 HB2 ALA 21 1HB ALA 21 1.026 1.933 -2.365 123 HB3 ALA 21 2HB ALA 21 1.336 0.212 -2.600 124 H PHE 22 H PHE 22 1.113 2.801 0.144 125 HA PHE 22 HA PHE 22 -1.442 4.192 0.259 126 HB2 PHE 22 1HB PHE 22 0.260 3.838 2.734 127 HB3 PHE 22 2HB PHE 22 -1.252 4.731 2.620 128 HD1 PHE 22 HD2 PHE 22 0.269 1.388 2.620 129 HD2 PHE 22 HD1 PHE 22 -3.358 3.615 2.658 130 HE1 PHE 22 HE2 PHE 22 -0.975 -0.653 3.203 131 HE2 PHE 22 HE1 PHE 22 -4.607 1.578 3.242 132 HZ PHE 22 HZ PHE 22 -3.416 -0.561 3.515 133 H VAL 23 H VAL 23 -1.236 6.472 0.587 134 HA VAL 23 HA VAL 23 1.225 7.519 -0.511 135 HB VAL 23 HB VAL 23 -1.307 8.949 0.312 136 HG11 VAL 23 1HG1 VAL 23 -0.264 10.671 -1.353 137 HG12 VAL 23 2HG1 VAL 23 0.256 10.642 0.333 138 HG13 VAL 23 3HG1 VAL 23 1.250 9.883 -0.911 139 HG21 VAL 23 3HG2 VAL 23 -0.943 9.022 -2.469 140 HG22 VAL 23 1HG2 VAL 23 -0.643 7.354 -1.980 141 HG23 VAL 23 2HG2 VAL 23 -2.171 8.134 -1.567 142 H LEU 24 H LEU 24 -0.544 7.666 2.537 143 HA LEU 24 HA LEU 24 1.704 9.152 3.720 144 HB2 LEU 24 1HB LEU 24 -1.068 8.840 4.851 145 HB3 LEU 24 2HB LEU 24 0.204 9.920 5.419 146 HG LEU 24 HG LEU 24 -1.019 10.203 2.688 147 HD11 LEU 24 1HD1 LEU 24 -2.858 10.328 4.238 148 HD12 LEU 24 2HD1 LEU 24 -2.462 11.951 3.672 149 HD13 LEU 24 3HD1 LEU 24 -1.953 11.429 5.278 150 HD21 LEU 24 3HD2 LEU 24 0.960 11.435 2.823 151 HD22 LEU 24 1HD2 LEU 24 0.659 11.911 4.494 152 HD23 LEU 24 2HD2 LEU 24 -0.301 12.612 3.192 153 H SER 25 H SER 25 2.006 8.639 6.118 154 HA SER 25 HA SER 25 2.539 5.828 6.341 155 HB2 SER 25 1HB SER 25 4.192 7.235 7.286 156 HB3 SER 25 2HB SER 25 2.995 8.187 8.164 157 HG SER 25 HG SER 25 2.616 6.382 9.486 158 H ALA 26 H ALA 26 0.359 8.123 7.928 159 HA ALA 26 HA ALA 26 -0.718 6.474 9.878 160 HB1 ALA 26 3HB ALA 26 -1.118 9.009 9.273 161 HB2 ALA 26 1HB ALA 26 -2.534 8.349 8.454 162 HB3 ALA 26 2HB ALA 26 -2.311 8.083 10.184 163 H HIS 27 H HIS 27 -1.800 6.930 6.521 164 HA HIS 27 HA HIS 27 -4.023 5.256 6.587 165 HB2 HIS 27 1HB HIS 27 -2.138 5.969 4.342 166 HB3 HIS 27 2HB HIS 27 -3.586 4.998 4.094 167 HD2 HIS 27 HD2 HIS 27 -5.285 7.110 6.280 168 HE1 HIS 27 HE1 HIS 27 -4.762 9.724 2.980 169 HE2 HIS 27 HE2 HIS 27 -5.966 9.339 5.158 170 H LEU 28 H LEU 28 -0.631 4.498 5.908 171 HA LEU 28 HA LEU 28 -1.018 1.786 5.251 172 HB2 LEU 28 1HB LEU 28 1.025 2.788 4.630 173 HB3 LEU 28 2HB LEU 28 1.346 3.331 6.276 174 HG LEU 28 HG LEU 28 1.687 0.964 6.939 175 HD11 LEU 28 1HD1 LEU 28 0.413 0.388 4.565 176 HD12 LEU 28 2HD1 LEU 28 1.276 -0.759 5.589 177 HD13 LEU 28 3HD1 LEU 28 2.101 0.002 4.229 178 HD21 LEU 28 3HD2 LEU 28 3.581 1.257 4.716 179 HD22 LEU 28 1HD2 LEU 28 3.872 1.122 6.451 180 HD23 LEU 28 2HD2 LEU 28 3.426 2.678 5.750 181 H ASN 29 H ASN 29 -0.256 3.390 8.319 182 HA ASN 29 HA ASN 29 0.089 1.106 9.888 183 HB2 ASN 29 1HB ASN 29 -0.793 3.912 10.522 184 HB3 ASN 29 2HB ASN 29 -0.706 2.682 11.780 185 HD21 ASN 29 1HD2 ASN 29 0.844 4.414 12.538 186 HD22 ASN 29 2HD2 ASN 29 2.498 4.222 12.075 187 H GLN 30 H GLN 30 -2.840 3.117 9.554 188 HA GLN 30 HA GLN 30 -4.597 1.693 11.077 189 HB2 GLN 30 1HB GLN 30 -4.942 3.243 8.539 190 HB3 GLN 30 2HB GLN 30 -6.315 2.379 9.218 191 HG2 GLN 30 1HG GLN 30 -4.680 4.414 10.713 192 HG3 GLN 30 2HG GLN 30 -6.191 4.763 9.876 193 HE21 GLN 30 1HE2 GLN 30 -4.713 3.184 12.593 194 HE22 GLN 30 2HE2 GLN 30 -6.167 2.909 13.484 195 H HIS 31 H HIS 31 -3.393 0.871 7.890 196 HA HIS 31 HA HIS 31 -5.235 -1.209 7.338 197 HB2 HIS 31 1HB HIS 31 -3.909 -0.172 5.569 198 HB3 HIS 31 2HB HIS 31 -2.425 -0.771 6.305 199 HD1 HIS 31 HD1 HIS 31 -5.660 -2.307 4.996 200 HD2 HIS 31 HD2 HIS 31 -1.572 -3.034 5.117 201 HE1 HIS 31 HE1 HIS 31 -5.318 -4.436 3.702 202 H LEU 32 H LEU 32 -1.844 -1.343 8.441 203 HA LEU 32 HA LEU 32 -1.491 -4.009 8.783 204 HB2 LEU 32 1HB LEU 32 -0.652 -1.843 10.705 205 HB3 LEU 32 2HB LEU 32 0.007 -3.477 10.670 206 HG LEU 32 HG LEU 32 0.205 -1.599 8.327 207 HD11 LEU 32 1HD1 LEU 32 2.634 -1.989 9.871 208 HD12 LEU 32 2HD1 LEU 32 1.381 -1.141 10.776 209 HD13 LEU 32 3HD1 LEU 32 1.928 -0.508 9.223 210 HD21 LEU 32 3HD2 LEU 32 2.191 -3.711 8.893 211 HD22 LEU 32 1HD2 LEU 32 1.517 -3.164 7.358 212 HD23 LEU 32 2HD2 LEU 32 0.588 -4.251 8.391 213 H ARG 33 H ARG 33 -3.639 -1.976 10.566 214 HA ARG 33 HA ARG 33 -3.976 -3.369 12.933 215 HB2 ARG 33 1HB ARG 33 -6.182 -2.063 11.333 216 HB3 ARG 33 2HB ARG 33 -6.177 -2.368 13.065 217 HG2 ARG 33 1HG ARG 33 -4.243 -0.541 11.658 218 HG3 ARG 33 2HG ARG 33 -5.725 -0.012 12.456 219 HD2 ARG 33 1HD ARG 33 -3.818 -1.685 14.004 220 HD3 ARG 33 2HD ARG 33 -3.384 -0.004 13.695 221 HE ARG 33 HE ARG 33 -5.988 -0.004 14.648 222 HH11 ARG 33 1HH1 ARG 33 -2.822 -0.907 15.780 223 HH12 ARG 33 2HH1 ARG 33 -3.180 -0.581 17.443 224 HH21 ARG 33 1HH2 ARG 33 -6.472 0.429 16.834 225 HH22 ARG 33 2HH2 ARG 33 -5.257 0.179 18.042 226 H VAL 34 H VAL 34 -5.450 -3.962 9.771 227 HA VAL 34 HA VAL 34 -7.159 -6.056 10.600 228 HB VAL 34 HB VAL 34 -7.481 -6.556 8.286 229 HG11 VAL 34 1HG1 VAL 34 -8.685 -4.653 8.580 230 HG12 VAL 34 2HG1 VAL 34 -7.282 -3.710 9.088 231 HG13 VAL 34 3HG1 VAL 34 -7.544 -4.053 7.377 232 HG21 VAL 34 3HG2 VAL 34 -5.576 -4.755 7.075 233 HG22 VAL 34 1HG2 VAL 34 -4.765 -5.990 8.039 234 HG23 VAL 34 2HG2 VAL 34 -5.871 -6.463 6.750 235 H HIS 35 H HIS 35 -3.785 -5.914 10.097 236 HA HIS 35 HA HIS 35 -3.533 -8.792 9.684 237 HB2 HIS 35 1HB HIS 35 -1.388 -6.667 9.872 238 HB3 HIS 35 2HB HIS 35 -1.141 -8.347 9.407 239 HD1 HIS 35 HD1 HIS 35 -3.591 -8.549 7.452 240 HD2 HIS 35 HD2 HIS 35 -0.753 -5.514 7.462 241 HE1 HIS 35 HE1 HIS 35 -3.636 -7.579 5.132 242 H THR 36 H THR 36 -2.658 -6.309 12.053 243 HA THR 36 HA THR 36 -1.567 -8.249 13.891 244 HB THR 36 HB THR 36 -0.654 -5.947 13.759 245 HG1 THR 36 HG1 THR 36 -0.913 -7.380 15.821 246 HG21 THR 36 3HG2 THR 36 -3.233 -5.110 13.692 247 HG22 THR 36 1HG2 THR 36 -1.868 -4.075 14.111 248 HG23 THR 36 2HG2 THR 36 -2.835 -4.819 15.385 249 H GLN 37 H GLN 37 -4.218 -8.852 13.214 250 HA GLN 37 HA GLN 37 -5.481 -8.602 15.847 251 HB2 GLN 37 1HB GLN 37 -6.407 -6.991 14.015 252 HB3 GLN 37 2HB GLN 37 -7.169 -8.440 13.374 253 HG2 GLN 37 1HG GLN 37 -7.514 -7.812 16.258 254 HG3 GLN 37 2HG GLN 37 -8.412 -6.869 15.070 255 HE21 GLN 37 1HE2 GLN 37 -8.751 -9.321 17.089 256 HE22 GLN 37 2HE2 GLN 37 -9.879 -10.308 16.230 257 H GLU 38 H GLU 38 -6.830 -10.329 16.434 258 HA GLU 38 HA GLU 38 -6.141 -12.827 15.181 259 HB2 GLU 38 1HB GLU 38 -6.314 -12.575 17.644 260 HB3 GLU 38 2HB GLU 38 -8.040 -12.289 17.471 261 HG2 GLU 38 1HG GLU 38 -7.952 -14.602 16.217 262 HG3 GLU 38 2HG GLU 38 -6.494 -14.806 17.186 263 H THR 39 H THR 39 -7.562 -14.311 14.238 264 HA THR 39 HA THR 39 -10.293 -13.457 13.681 265 HB THR 39 HB THR 39 -10.016 -13.965 11.242 266 HG1 THR 39 HG1 THR 39 -7.744 -13.740 10.525 267 HG21 THR 39 3HG2 THR 39 -8.416 -11.668 12.372 268 HG22 THR 39 1HG2 THR 39 -10.132 -11.662 11.970 269 HG23 THR 39 2HG2 THR 39 -8.927 -11.804 10.690 270 H LEU 40 H LEU 40 -11.699 -15.127 13.477 271 HA LEU 40 HA LEU 40 -10.844 -17.723 14.256 272 HB2 LEU 40 1HB LEU 40 -13.465 -16.623 13.282 273 HB3 LEU 40 2HB LEU 40 -13.250 -18.325 13.684 274 HG LEU 40 HG LEU 40 -12.784 -16.075 15.634 275 HD11 LEU 40 1HD1 LEU 40 -15.247 -17.075 14.618 276 HD12 LEU 40 2HD1 LEU 40 -14.975 -15.876 15.882 277 HD13 LEU 40 3HD1 LEU 40 -15.076 -17.587 16.297 278 HD21 LEU 40 3HD2 LEU 40 -11.890 -18.625 15.754 279 HD22 LEU 40 1HD2 LEU 40 -13.467 -18.792 16.528 280 HD23 LEU 40 2HD2 LEU 40 -12.288 -17.646 17.167 281 H SER 41 H SER 41 -10.708 -19.616 13.090 282 HA SER 41 HA SER 41 -9.792 -19.468 10.453 283 HB2 SER 41 1HB SER 41 -9.137 -21.332 11.811 284 HB3 SER 41 2HB SER 41 -10.815 -21.811 12.068 285 HG SER 41 HG SER 41 -9.669 -21.710 9.487 286 H GLY 42 H GLY 42 -10.978 -18.828 8.773 287 HA2 GLY 42 1HA GLY 42 -13.373 -20.308 8.091 288 HA3 GLY 42 2HA GLY 42 -13.643 -18.608 8.447 289 HA PRO 43 HA PRO 43 -12.390 -19.319 3.938 290 HB2 PRO 43 1HB PRO 43 -14.770 -18.660 2.810 291 HB3 PRO 43 2HB PRO 43 -14.355 -20.313 3.281 292 HG2 PRO 43 1HG PRO 43 -16.016 -18.289 4.734 293 HG3 PRO 43 2HG PRO 43 -16.312 -20.022 4.503 294 HD2 PRO 43 1HD PRO 43 -15.304 -19.011 6.803 295 HD3 PRO 43 2HD PRO 43 -14.872 -20.623 6.199 296 H SER 44 H SER 44 -12.636 -17.634 2.157 297 HA SER 44 HA SER 44 -13.446 -14.998 2.759 298 HB2 SER 44 1HB SER 44 -11.473 -15.138 4.280 299 HB3 SER 44 2HB SER 44 -10.453 -15.439 2.873 300 HG SER 44 HG SER 44 -11.450 -13.366 2.086 301 H SER 45 H SER 45 -13.354 -13.666 0.972 302 HA SER 45 HA SER 45 -12.972 -14.975 -1.542 303 HB2 SER 45 1HB SER 45 -13.752 -12.906 -2.533 304 HB3 SER 45 2HB SER 45 -14.745 -13.265 -1.121 305 HG SER 45 HG SER 45 -12.918 -11.217 -1.541 306 H GLY 46 H GLY 46 -11.589 -14.216 -3.268 307 HA2 GLY 46 1HA GLY 46 -9.667 -12.409 -3.445 308 HA3 GLY 46 2HA GLY 46 -8.956 -13.476 -2.243 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -16.894 -7.234 -16.295 2 HA2 GLY 1 1HA GLY 1 -15.250 -6.117 -14.955 3 HA3 GLY 1 2HA GLY 1 -15.791 -7.490 -14.001 4 H SER 2 H SER 2 -13.496 -6.789 -13.176 5 HA SER 2 HA SER 2 -11.325 -7.381 -12.844 6 HB2 SER 2 1HB SER 2 -12.251 -9.807 -14.393 7 HB3 SER 2 2HB SER 2 -10.665 -9.686 -13.633 8 HG SER 2 HG SER 2 -12.198 -10.723 -12.281 9 H SER 3 H SER 3 -11.768 -5.592 -14.913 10 HA SER 3 HA SER 3 -9.417 -6.098 -16.548 11 HB2 SER 3 1HB SER 3 -11.118 -6.996 -17.992 12 HB3 SER 3 2HB SER 3 -12.159 -5.597 -17.724 13 HG SER 3 HG SER 3 -11.214 -5.040 -19.557 14 H GLY 4 H GLY 4 -8.319 -4.264 -17.080 15 HA2 GLY 4 1HA GLY 4 -8.729 -1.799 -17.644 16 HA3 GLY 4 2HA GLY 4 -9.462 -1.750 -16.048 17 H SER 5 H SER 5 -7.203 -0.223 -17.024 18 HA SER 5 HA SER 5 -4.823 -1.338 -15.866 19 HB2 SER 5 1HB SER 5 -5.058 0.404 -17.804 20 HB3 SER 5 2HB SER 5 -5.140 1.581 -16.493 21 HG SER 5 HG SER 5 -2.991 1.206 -17.265 22 H SER 6 H SER 6 -4.124 -1.174 -13.835 23 HA SER 6 HA SER 6 -5.780 0.079 -11.854 24 HB2 SER 6 1HB SER 6 -4.603 -2.061 -11.432 25 HB3 SER 6 2HB SER 6 -3.060 -1.216 -11.542 26 HG SER 6 HG SER 6 -4.098 0.175 -9.804 27 H GLY 7 H GLY 7 -2.302 0.451 -12.588 28 HA2 GLY 7 1HA GLY 7 -0.951 2.310 -12.562 29 HA3 GLY 7 2HA GLY 7 -2.410 3.279 -12.710 30 H THR 8 H THR 8 -0.322 1.603 -10.411 31 HA THR 8 HA THR 8 -1.533 3.058 -8.187 32 HB THR 8 HB THR 8 -1.114 0.733 -7.742 33 HG1 THR 8 HG1 THR 8 -0.550 1.383 -5.818 34 HG21 THR 8 3HG2 THR 8 1.637 0.404 -7.644 35 HG22 THR 8 1HG2 THR 8 1.366 1.269 -9.156 36 HG23 THR 8 2HG2 THR 8 0.548 -0.264 -8.859 37 H GLY 9 H GLY 9 0.979 3.453 -10.383 38 HA2 GLY 9 1HA GLY 9 2.656 5.016 -10.537 39 HA3 GLY 9 2HA GLY 9 1.906 5.832 -9.173 40 H GLU 10 H GLU 10 3.578 6.288 -7.866 41 HA GLU 10 HA GLU 10 5.155 4.012 -6.879 42 HB2 GLU 10 1HB GLU 10 6.146 6.634 -7.934 43 HB3 GLU 10 2HB GLU 10 7.046 5.814 -6.666 44 HG2 GLU 10 1HG GLU 10 8.068 5.092 -8.612 45 HG3 GLU 10 2HG GLU 10 6.974 3.769 -8.209 46 H LYS 11 H LYS 11 3.887 3.926 -5.017 47 HA LYS 11 HA LYS 11 3.586 6.277 -3.358 48 HB2 LYS 11 1HB LYS 11 2.591 3.475 -3.309 49 HB3 LYS 11 2HB LYS 11 2.697 4.316 -1.769 50 HG2 LYS 11 1HG LYS 11 0.557 4.819 -2.385 51 HG3 LYS 11 2HG LYS 11 1.421 6.204 -3.057 52 HD2 LYS 11 1HD LYS 11 1.171 5.483 -5.221 53 HD3 LYS 11 2HD LYS 11 1.068 3.783 -4.756 54 HE2 LYS 11 1HE LYS 11 -1.096 4.413 -5.483 55 HE3 LYS 11 2HE LYS 11 -1.167 4.324 -3.724 56 HZ1 LYS 11 3HZ LYS 11 -0.637 6.839 -3.885 57 HZ2 LYS 11 1HZ LYS 11 -2.219 6.303 -4.152 58 HZ3 LYS 11 2HZ LYS 11 -1.226 6.693 -5.464 59 HA PRO 12 HA PRO 12 7.271 5.721 -1.007 60 HB2 PRO 12 1HB PRO 12 6.560 7.126 1.205 61 HB3 PRO 12 2HB PRO 12 6.982 7.897 -0.328 62 HG2 PRO 12 1HG PRO 12 4.279 7.318 0.821 63 HG3 PRO 12 2HG PRO 12 4.855 8.779 -0.002 64 HD2 PRO 12 1HD PRO 12 3.354 6.902 -1.248 65 HD3 PRO 12 2HD PRO 12 4.585 7.858 -2.097 66 H TYR 13 H TYR 13 4.136 5.064 0.492 67 HA TYR 13 HA TYR 13 5.430 3.221 2.376 68 HB2 TYR 13 1HB TYR 13 2.568 4.196 2.380 69 HB3 TYR 13 2HB TYR 13 3.381 3.302 3.660 70 HD1 TYR 13 HD1 TYR 13 5.034 4.404 5.091 71 HD2 TYR 13 HD2 TYR 13 2.932 6.563 2.087 72 HE1 TYR 13 HE1 TYR 13 5.723 6.520 6.139 73 HE2 TYR 13 HE2 TYR 13 3.616 8.685 3.126 74 HH TYR 13 HH TYR 13 5.977 8.822 5.645 75 H SER 14 H SER 14 4.705 1.083 2.606 76 HA SER 14 HA SER 14 2.717 0.002 0.826 77 HB2 SER 14 1HB SER 14 5.652 -0.523 0.379 78 HB3 SER 14 2HB SER 14 4.416 -1.665 -0.147 79 HG SER 14 HG SER 14 4.120 1.026 -0.846 80 H CYS 15 H CYS 15 1.919 -1.927 1.537 81 HA CYS 15 HA CYS 15 2.755 -2.771 4.172 82 HB2 CYS 15 1HB CYS 15 0.399 -2.665 3.833 83 HB3 CYS 15 2HB CYS 15 0.501 -3.605 2.348 84 H ASN 16 H ASN 16 4.013 -4.455 4.643 85 HA ASN 16 HA ASN 16 4.827 -6.224 2.444 86 HB2 ASN 16 1HB ASN 16 6.864 -6.606 3.609 87 HB3 ASN 16 2HB ASN 16 6.564 -4.874 3.712 88 HD21 ASN 16 1HD2 ASN 16 7.983 -6.981 5.414 89 HD22 ASN 16 2HD2 ASN 16 7.421 -6.649 7.014 90 H VAL 17 H VAL 17 2.347 -6.701 3.650 91 HA VAL 17 HA VAL 17 2.887 -9.250 5.025 92 HB VAL 17 HB VAL 17 0.608 -7.355 5.611 93 HG11 VAL 17 1HG1 VAL 17 1.274 -10.058 6.771 94 HG12 VAL 17 2HG1 VAL 17 0.042 -8.963 7.400 95 HG13 VAL 17 3HG1 VAL 17 -0.129 -9.650 5.784 96 HG21 VAL 17 3HG2 VAL 17 1.648 -6.804 7.608 97 HG22 VAL 17 1HG2 VAL 17 2.685 -8.231 7.578 98 HG23 VAL 17 2HG2 VAL 17 3.006 -6.884 6.485 99 H CYS 18 H CYS 18 0.292 -7.446 3.367 100 HA CYS 18 HA CYS 18 -0.574 -9.978 2.144 101 HB2 CYS 18 1HB CYS 18 -2.749 -8.974 1.845 102 HB3 CYS 18 2HB CYS 18 -2.254 -8.751 3.520 103 H GLY 19 H GLY 19 -0.008 -6.544 1.428 104 HA2 GLY 19 1HA GLY 19 1.410 -6.263 -0.646 105 HA3 GLY 19 2HA GLY 19 0.200 -7.270 -1.427 106 H LYS 20 H LYS 20 0.390 -4.297 0.531 107 HA LYS 20 HA LYS 20 -1.496 -3.058 -1.357 108 HB2 LYS 20 1HB LYS 20 -2.434 -3.757 0.971 109 HB3 LYS 20 2HB LYS 20 -1.538 -2.364 1.562 110 HG2 LYS 20 1HG LYS 20 -2.867 -0.857 0.417 111 HG3 LYS 20 2HG LYS 20 -3.427 -2.072 -0.734 112 HD2 LYS 20 1HD LYS 20 -4.659 -3.178 1.119 113 HD3 LYS 20 2HD LYS 20 -4.181 -1.850 2.180 114 HE2 LYS 20 1HE LYS 20 -5.729 -1.495 -0.383 115 HE3 LYS 20 2HE LYS 20 -6.477 -1.640 1.207 116 HZ1 LYS 20 3HZ LYS 20 -6.249 0.553 1.335 117 HZ2 LYS 20 1HZ LYS 20 -5.221 0.622 -0.006 118 HZ3 LYS 20 2HZ LYS 20 -4.588 0.301 1.529 119 H ALA 21 H ALA 21 -1.483 -0.618 -1.139 120 HA ALA 21 HA ALA 21 1.128 0.425 -0.308 121 HB1 ALA 21 3HB ALA 21 0.070 0.317 -3.062 122 HB2 ALA 21 1HB ALA 21 0.823 1.834 -2.569 123 HB3 ALA 21 2HB ALA 21 1.736 0.327 -2.482 124 H PHE 22 H PHE 22 1.163 2.653 0.159 125 HA PHE 22 HA PHE 22 -1.389 4.079 0.082 126 HB2 PHE 22 1HB PHE 22 0.260 3.805 2.603 127 HB3 PHE 22 2HB PHE 22 -1.229 4.728 2.427 128 HD1 PHE 22 HD2 PHE 22 0.186 1.316 2.407 129 HD2 PHE 22 HD1 PHE 22 -3.333 3.699 2.640 130 HE1 PHE 22 HE2 PHE 22 -1.115 -0.673 3.042 131 HE2 PHE 22 HE1 PHE 22 -4.639 1.714 3.276 132 HZ PHE 22 HZ PHE 22 -3.531 -0.476 3.477 133 H VAL 23 H VAL 23 -1.130 6.403 0.638 134 HA VAL 23 HA VAL 23 1.330 7.407 -0.562 135 HB VAL 23 HB VAL 23 -1.193 8.888 0.196 136 HG11 VAL 23 1HG1 VAL 23 -0.263 10.806 -0.530 137 HG12 VAL 23 2HG1 VAL 23 1.255 9.987 -0.154 138 HG13 VAL 23 3HG1 VAL 23 0.646 10.004 -1.810 139 HG21 VAL 23 3HG2 VAL 23 -1.924 8.681 -2.000 140 HG22 VAL 23 1HG2 VAL 23 -0.320 8.255 -2.597 141 HG23 VAL 23 2HG2 VAL 23 -1.250 7.087 -1.659 142 H LEU 24 H LEU 24 -0.490 7.615 2.450 143 HA LEU 24 HA LEU 24 1.735 9.130 3.641 144 HB2 LEU 24 1HB LEU 24 -1.067 8.839 4.705 145 HB3 LEU 24 2HB LEU 24 0.196 9.906 5.315 146 HG LEU 24 HG LEU 24 -1.077 10.171 2.594 147 HD11 LEU 24 1HD1 LEU 24 -2.829 10.649 4.052 148 HD12 LEU 24 2HD1 LEU 24 -2.113 12.227 3.727 149 HD13 LEU 24 3HD1 LEU 24 -1.763 11.396 5.242 150 HD21 LEU 24 3HD2 LEU 24 0.106 12.152 2.360 151 HD22 LEU 24 1HD2 LEU 24 1.284 11.084 3.122 152 HD23 LEU 24 2HD2 LEU 24 0.427 12.284 4.090 153 H SER 25 H SER 25 2.007 8.665 6.048 154 HA SER 25 HA SER 25 2.487 5.840 6.336 155 HB2 SER 25 1HB SER 25 4.057 7.656 7.137 156 HB3 SER 25 2HB SER 25 2.897 7.988 8.423 157 HG SER 25 HG SER 25 4.704 6.445 8.850 158 H ALA 26 H ALA 26 0.445 8.263 7.925 159 HA ALA 26 HA ALA 26 -0.650 6.723 9.942 160 HB1 ALA 26 3HB ALA 26 -2.581 8.491 8.629 161 HB2 ALA 26 1HB ALA 26 -1.994 8.481 10.293 162 HB3 ALA 26 2HB ALA 26 -1.042 9.257 9.026 163 H HIS 27 H HIS 27 -1.755 7.052 6.581 164 HA HIS 27 HA HIS 27 -4.042 5.467 6.757 165 HB2 HIS 27 1HB HIS 27 -2.164 5.970 4.445 166 HB3 HIS 27 2HB HIS 27 -3.683 5.094 4.281 167 HD2 HIS 27 HD2 HIS 27 -5.168 7.427 6.398 168 HE1 HIS 27 HE1 HIS 27 -4.555 9.831 2.956 169 HE2 HIS 27 HE2 HIS 27 -5.722 9.641 5.180 170 H LEU 28 H LEU 28 -0.691 4.557 6.046 171 HA LEU 28 HA LEU 28 -1.158 1.843 5.510 172 HB2 LEU 28 1HB LEU 28 0.927 2.718 4.881 173 HB3 LEU 28 2HB LEU 28 1.236 3.362 6.493 174 HG LEU 28 HG LEU 28 1.443 0.994 7.297 175 HD11 LEU 28 1HD1 LEU 28 2.050 -0.609 5.374 176 HD12 LEU 28 2HD1 LEU 28 1.114 0.492 4.364 177 HD13 LEU 28 3HD1 LEU 28 0.347 -0.320 5.728 178 HD21 LEU 28 3HD2 LEU 28 3.509 1.927 7.114 179 HD22 LEU 28 1HD2 LEU 28 3.291 2.353 5.417 180 HD23 LEU 28 2HD2 LEU 28 3.661 0.688 5.867 181 H ASN 29 H ASN 29 -0.186 3.452 8.533 182 HA ASN 29 HA ASN 29 0.043 1.282 10.195 183 HB2 ASN 29 1HB ASN 29 -1.260 3.897 10.976 184 HB3 ASN 29 2HB ASN 29 -0.428 2.769 12.042 185 HD21 ASN 29 1HD2 ASN 29 0.037 5.627 11.377 186 HD22 ASN 29 2HD2 ASN 29 1.693 5.710 10.893 187 H GLN 30 H GLN 30 -2.939 3.153 9.622 188 HA GLN 30 HA GLN 30 -4.692 1.715 11.168 189 HB2 GLN 30 1HB GLN 30 -5.104 3.079 8.513 190 HB3 GLN 30 2HB GLN 30 -6.431 2.367 9.420 191 HG2 GLN 30 1HG GLN 30 -6.038 3.857 11.265 192 HG3 GLN 30 2HG GLN 30 -4.598 4.503 10.480 193 HE21 GLN 30 1HE2 GLN 30 -6.135 6.412 11.124 194 HE22 GLN 30 2HE2 GLN 30 -7.122 6.996 9.832 195 H HIS 31 H HIS 31 -3.622 0.996 7.872 196 HA HIS 31 HA HIS 31 -5.302 -1.183 7.373 197 HB2 HIS 31 1HB HIS 31 -4.044 -0.178 5.577 198 HB3 HIS 31 2HB HIS 31 -2.518 -0.583 6.358 199 HD1 HIS 31 HD1 HIS 31 -5.536 -2.445 4.969 200 HD2 HIS 31 HD2 HIS 31 -1.425 -2.860 5.400 201 HE1 HIS 31 HE1 HIS 31 -4.953 -4.598 3.809 202 H LEU 32 H LEU 32 -1.998 -1.122 8.694 203 HA LEU 32 HA LEU 32 -1.415 -3.744 8.981 204 HB2 LEU 32 1HB LEU 32 -1.033 -1.621 11.086 205 HB3 LEU 32 2HB LEU 32 -0.198 -3.172 11.044 206 HG LEU 32 HG LEU 32 0.051 -1.061 8.905 207 HD11 LEU 32 1HD1 LEU 32 1.962 -0.248 9.911 208 HD12 LEU 32 2HD1 LEU 32 2.175 -1.685 10.911 209 HD13 LEU 32 3HD1 LEU 32 0.906 -0.523 11.296 210 HD21 LEU 32 3HD2 LEU 32 2.044 -2.383 8.281 211 HD22 LEU 32 1HD2 LEU 32 0.538 -3.282 8.101 212 HD23 LEU 32 2HD2 LEU 32 1.588 -3.591 9.483 213 H ARG 33 H ARG 33 -3.896 -1.999 10.671 214 HA ARG 33 HA ARG 33 -4.372 -3.523 12.898 215 HB2 ARG 33 1HB ARG 33 -6.332 -2.221 11.008 216 HB3 ARG 33 2HB ARG 33 -6.814 -2.949 12.534 217 HG2 ARG 33 1HG ARG 33 -5.402 -1.393 13.750 218 HG3 ARG 33 2HG ARG 33 -4.852 -0.686 12.229 219 HD2 ARG 33 1HD ARG 33 -6.516 0.777 12.958 220 HD3 ARG 33 2HD ARG 33 -7.333 -0.236 11.768 221 HE ARG 33 HE ARG 33 -7.826 -1.516 14.094 222 HH11 ARG 33 1HH1 ARG 33 -8.213 1.787 13.064 223 HH12 ARG 33 2HH1 ARG 33 -9.569 2.088 14.100 224 HH21 ARG 33 1HH2 ARG 33 -9.610 -1.132 15.462 225 HH22 ARG 33 2HH2 ARG 33 -10.362 0.427 15.464 226 H VAL 34 H VAL 34 -5.827 -4.076 9.686 227 HA VAL 34 HA VAL 34 -7.217 -6.387 10.204 228 HB VAL 34 HB VAL 34 -7.083 -6.923 7.860 229 HG11 VAL 34 1HG1 VAL 34 -7.055 -4.104 7.335 230 HG12 VAL 34 2HG1 VAL 34 -8.425 -5.214 7.402 231 HG13 VAL 34 3HG1 VAL 34 -7.857 -4.422 8.873 232 HG21 VAL 34 3HG2 VAL 34 -4.477 -6.162 7.997 233 HG22 VAL 34 1HG2 VAL 34 -5.363 -6.437 6.497 234 HG23 VAL 34 2HG2 VAL 34 -5.190 -4.801 7.132 235 H HIS 35 H HIS 35 -3.820 -5.945 10.170 236 HA HIS 35 HA HIS 35 -3.343 -8.838 10.015 237 HB2 HIS 35 1HB HIS 35 -1.314 -6.595 9.982 238 HB3 HIS 35 2HB HIS 35 -1.007 -8.297 9.653 239 HD1 HIS 35 HD1 HIS 35 -3.197 -8.933 7.651 240 HD2 HIS 35 HD2 HIS 35 -0.970 -5.427 7.561 241 HE1 HIS 35 HE1 HIS 35 -3.339 -8.106 5.280 242 H THR 36 H THR 36 -4.584 -7.880 12.326 243 HA THR 36 HA THR 36 -2.485 -7.736 14.357 244 HB THR 36 HB THR 36 -4.341 -6.135 14.539 245 HG1 THR 36 HG1 THR 36 -4.431 -8.079 16.624 246 HG21 THR 36 3HG2 THR 36 -6.012 -8.634 14.767 247 HG22 THR 36 1HG2 THR 36 -6.175 -7.325 13.596 248 HG23 THR 36 2HG2 THR 36 -6.573 -7.046 15.292 249 H GLN 37 H GLN 37 -2.682 -10.189 13.017 250 HA GLN 37 HA GLN 37 -2.909 -11.969 15.211 251 HB2 GLN 37 1HB GLN 37 -4.754 -13.359 14.398 252 HB3 GLN 37 2HB GLN 37 -5.302 -11.730 14.769 253 HG2 GLN 37 1HG GLN 37 -5.701 -11.212 12.581 254 HG3 GLN 37 2HG GLN 37 -4.498 -12.350 11.977 255 HE21 GLN 37 1HE2 GLN 37 -6.095 -13.056 10.476 256 HE22 GLN 37 2HE2 GLN 37 -7.330 -14.161 10.966 257 H GLU 38 H GLU 38 -1.997 -13.979 14.784 258 HA GLU 38 HA GLU 38 -0.294 -14.072 12.479 259 HB2 GLU 38 1HB GLU 38 0.676 -16.011 13.461 260 HB3 GLU 38 2HB GLU 38 0.333 -14.896 14.775 261 HG2 GLU 38 1HG GLU 38 -0.400 -16.874 15.658 262 HG3 GLU 38 2HG GLU 38 -1.890 -16.232 14.968 263 H THR 39 H THR 39 -0.669 -15.023 10.589 264 HA THR 39 HA THR 39 -2.860 -16.988 10.417 265 HB THR 39 HB THR 39 -3.786 -15.169 9.302 266 HG1 THR 39 HG1 THR 39 -2.387 -16.293 7.115 267 HG21 THR 39 3HG2 THR 39 -2.252 -13.484 9.152 268 HG22 THR 39 1HG2 THR 39 -2.240 -14.014 7.470 269 HG23 THR 39 2HG2 THR 39 -0.973 -14.551 8.573 270 H LEU 40 H LEU 40 -1.047 -18.514 10.760 271 HA LEU 40 HA LEU 40 0.743 -18.841 8.479 272 HB2 LEU 40 1HB LEU 40 1.297 -19.085 11.042 273 HB3 LEU 40 2HB LEU 40 0.692 -20.720 10.790 274 HG LEU 40 HG LEU 40 3.184 -20.453 10.656 275 HD11 LEU 40 1HD1 LEU 40 2.725 -22.425 9.691 276 HD12 LEU 40 2HD1 LEU 40 3.088 -21.578 8.188 277 HD13 LEU 40 3HD1 LEU 40 1.415 -21.760 8.716 278 HD21 LEU 40 3HD2 LEU 40 2.880 -19.395 7.901 279 HD22 LEU 40 1HD2 LEU 40 4.216 -19.228 9.041 280 HD23 LEU 40 2HD2 LEU 40 2.762 -18.250 9.238 281 H SER 41 H SER 41 -1.402 -20.960 10.391 282 HA SER 41 HA SER 41 -2.389 -22.171 7.939 283 HB2 SER 41 1HB SER 41 -1.864 -24.452 8.632 284 HB3 SER 41 2HB SER 41 -0.381 -23.504 8.521 285 HG SER 41 HG SER 41 -0.918 -24.903 10.506 286 H GLY 42 H GLY 42 -4.125 -23.834 8.461 287 HA2 GLY 42 1HA GLY 42 -5.729 -24.636 10.098 288 HA3 GLY 42 2HA GLY 42 -5.526 -23.117 10.958 289 HA PRO 43 HA PRO 43 -8.133 -22.114 7.001 290 HB2 PRO 43 1HB PRO 43 -9.065 -24.247 5.604 291 HB3 PRO 43 2HB PRO 43 -7.520 -23.467 5.248 292 HG2 PRO 43 1HG PRO 43 -8.067 -25.961 6.811 293 HG3 PRO 43 2HG PRO 43 -6.799 -25.648 5.612 294 HD2 PRO 43 1HD PRO 43 -6.334 -25.568 8.278 295 HD3 PRO 43 2HD PRO 43 -5.467 -24.532 7.126 296 H SER 44 H SER 44 -8.679 -24.118 9.556 297 HA SER 44 HA SER 44 -10.489 -24.582 10.854 298 HB2 SER 44 1HB SER 44 -10.930 -22.103 10.264 299 HB3 SER 44 2HB SER 44 -12.144 -22.731 9.151 300 HG SER 44 HG SER 44 -12.697 -22.192 11.498 301 H SER 45 H SER 45 -9.962 -26.354 8.809 302 HA SER 45 HA SER 45 -12.470 -27.683 8.562 303 HB2 SER 45 1HB SER 45 -12.793 -26.113 6.728 304 HB3 SER 45 2HB SER 45 -11.230 -26.555 6.040 305 HG SER 45 HG SER 45 -12.104 -28.721 5.848 306 H GLY 46 H GLY 46 -12.041 -29.783 8.704 307 HA2 GLY 46 1HA GLY 46 -9.514 -30.778 7.549 308 HA3 GLY 46 2HA GLY 46 -9.998 -31.224 9.178 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -13.189 5.775 -12.861 2 HA2 GLY 1 1HA GLY 1 -11.855 4.831 -10.814 3 HA3 GLY 1 2HA GLY 1 -11.214 3.765 -12.055 4 H SER 2 H SER 2 -10.745 6.626 -10.426 5 HA SER 2 HA SER 2 -9.262 7.902 -12.600 6 HB2 SER 2 1HB SER 2 -9.279 9.879 -11.321 7 HB3 SER 2 2HB SER 2 -10.857 9.156 -11.006 8 HG SER 2 HG SER 2 -8.641 9.416 -9.326 9 H SER 3 H SER 3 -7.154 7.607 -12.819 10 HA SER 3 HA SER 3 -5.539 7.007 -10.438 11 HB2 SER 3 1HB SER 3 -5.431 5.544 -13.086 12 HB3 SER 3 2HB SER 3 -4.230 5.372 -11.806 13 HG SER 3 HG SER 3 -6.933 4.999 -11.178 14 H GLY 4 H GLY 4 -4.939 9.242 -10.543 15 HA2 GLY 4 1HA GLY 4 -3.692 10.359 -12.851 16 HA3 GLY 4 2HA GLY 4 -3.665 11.033 -11.229 17 H SER 5 H SER 5 -1.770 9.839 -13.633 18 HA SER 5 HA SER 5 0.206 8.566 -11.920 19 HB2 SER 5 1HB SER 5 1.473 8.288 -14.075 20 HB3 SER 5 2HB SER 5 -0.123 7.537 -14.071 21 HG SER 5 HG SER 5 0.086 8.671 -15.971 22 H SER 6 H SER 6 -0.217 11.179 -11.175 23 HA SER 6 HA SER 6 2.177 12.577 -12.174 24 HB2 SER 6 1HB SER 6 1.134 14.654 -11.683 25 HB3 SER 6 2HB SER 6 -0.104 13.683 -12.479 26 HG SER 6 HG SER 6 0.036 14.592 -9.871 27 H GLY 7 H GLY 7 3.226 14.019 -10.522 28 HA2 GLY 7 1HA GLY 7 4.092 14.418 -8.410 29 HA3 GLY 7 2HA GLY 7 2.878 13.335 -7.745 30 H THR 8 H THR 8 3.915 11.855 -6.581 31 HA THR 8 HA THR 8 6.537 10.906 -7.335 32 HB THR 8 HB THR 8 4.868 9.725 -5.130 33 HG1 THR 8 HG1 THR 8 4.839 11.655 -4.265 34 HG21 THR 8 3HG2 THR 8 7.669 9.678 -5.973 35 HG22 THR 8 1HG2 THR 8 6.775 8.550 -4.954 36 HG23 THR 8 2HG2 THR 8 7.452 10.023 -4.257 37 H GLY 9 H GLY 9 7.067 8.953 -8.189 38 HA2 GLY 9 1HA GLY 9 5.294 7.572 -9.804 39 HA3 GLY 9 2HA GLY 9 6.812 6.913 -9.214 40 H GLU 10 H GLU 10 6.803 5.409 -7.603 41 HA GLU 10 HA GLU 10 4.246 4.192 -7.015 42 HB2 GLU 10 1HB GLU 10 7.097 3.425 -6.416 43 HB3 GLU 10 2HB GLU 10 5.732 2.526 -5.769 44 HG2 GLU 10 1HG GLU 10 5.002 1.906 -7.942 45 HG3 GLU 10 2HG GLU 10 6.147 3.008 -8.705 46 H LYS 11 H LYS 11 3.199 4.172 -5.097 47 HA LYS 11 HA LYS 11 3.334 6.184 -3.291 48 HB2 LYS 11 1HB LYS 11 2.383 3.363 -3.083 49 HB3 LYS 11 2HB LYS 11 2.448 4.330 -1.615 50 HG2 LYS 11 1HG LYS 11 0.320 4.778 -2.268 51 HG3 LYS 11 2HG LYS 11 1.160 6.070 -3.128 52 HD2 LYS 11 1HD LYS 11 0.866 5.086 -5.172 53 HD3 LYS 11 2HD LYS 11 0.847 3.453 -4.503 54 HE2 LYS 11 1HE LYS 11 -1.389 3.973 -3.514 55 HE3 LYS 11 2HE LYS 11 -1.364 5.499 -4.396 56 HZ1 LYS 11 3HZ LYS 11 -2.437 4.244 -5.916 57 HZ2 LYS 11 1HZ LYS 11 -1.757 2.788 -5.386 58 HZ3 LYS 11 2HZ LYS 11 -0.863 3.828 -6.376 59 HA PRO 12 HA PRO 12 7.067 5.712 -0.996 60 HB2 PRO 12 1HB PRO 12 6.401 7.204 1.172 61 HB3 PRO 12 2HB PRO 12 6.794 7.913 -0.398 62 HG2 PRO 12 1HG PRO 12 4.113 7.386 0.824 63 HG3 PRO 12 2HG PRO 12 4.676 8.813 -0.066 64 HD2 PRO 12 1HD PRO 12 3.148 6.892 -1.209 65 HD3 PRO 12 2HD PRO 12 4.364 7.811 -2.118 66 H TYR 13 H TYR 13 3.962 4.784 0.251 67 HA TYR 13 HA TYR 13 5.287 3.114 2.287 68 HB2 TYR 13 1HB TYR 13 2.445 4.150 2.319 69 HB3 TYR 13 2HB TYR 13 3.220 3.198 3.580 70 HD1 TYR 13 HD1 TYR 13 4.962 4.204 5.001 71 HD2 TYR 13 HD2 TYR 13 2.857 6.506 2.107 72 HE1 TYR 13 HE1 TYR 13 5.734 6.268 6.091 73 HE2 TYR 13 HE2 TYR 13 3.624 8.577 3.189 74 HH TYR 13 HH TYR 13 4.473 9.027 5.908 75 H SER 14 H SER 14 4.773 0.963 2.414 76 HA SER 14 HA SER 14 2.707 -0.125 0.672 77 HB2 SER 14 1HB SER 14 4.223 -1.714 -0.404 78 HB3 SER 14 2HB SER 14 4.743 -0.061 -0.733 79 HG SER 14 HG SER 14 6.539 -1.223 -0.137 80 H CYS 15 H CYS 15 1.893 -2.079 1.354 81 HA CYS 15 HA CYS 15 2.604 -2.846 4.063 82 HB2 CYS 15 1HB CYS 15 0.265 -2.665 3.691 83 HB3 CYS 15 2HB CYS 15 0.352 -3.614 2.211 84 H ASN 16 H ASN 16 4.276 -4.188 4.276 85 HA ASN 16 HA ASN 16 4.843 -6.187 2.246 86 HB2 ASN 16 1HB ASN 16 6.890 -6.607 3.510 87 HB3 ASN 16 2HB ASN 16 6.690 -4.880 3.231 88 HD21 ASN 16 1HD2 ASN 16 7.961 -4.286 4.953 89 HD22 ASN 16 2HD2 ASN 16 7.470 -4.493 6.596 90 H VAL 17 H VAL 17 2.427 -6.699 3.438 91 HA VAL 17 HA VAL 17 3.021 -9.163 4.928 92 HB VAL 17 HB VAL 17 0.753 -7.274 5.573 93 HG11 VAL 17 1HG1 VAL 17 1.597 -9.764 7.042 94 HG12 VAL 17 2HG1 VAL 17 0.164 -8.774 7.326 95 HG13 VAL 17 3HG1 VAL 17 0.300 -9.727 5.848 96 HG21 VAL 17 3HG2 VAL 17 3.176 -6.670 6.256 97 HG22 VAL 17 1HG2 VAL 17 1.900 -6.594 7.471 98 HG23 VAL 17 2HG2 VAL 17 2.995 -7.975 7.429 99 H CYS 18 H CYS 18 0.416 -7.374 3.276 100 HA CYS 18 HA CYS 18 -0.493 -9.937 2.139 101 HB2 CYS 18 1HB CYS 18 -2.722 -9.126 2.121 102 HB3 CYS 18 2HB CYS 18 -2.076 -8.707 3.705 103 H GLY 19 H GLY 19 0.024 -6.497 1.491 104 HA2 GLY 19 1HA GLY 19 1.211 -6.106 -0.681 105 HA3 GLY 19 2HA GLY 19 -0.027 -7.128 -1.396 106 H LYS 20 H LYS 20 0.493 -4.074 0.311 107 HA LYS 20 HA LYS 20 -1.665 -2.897 -1.277 108 HB2 LYS 20 1HB LYS 20 -2.436 -3.614 1.082 109 HB3 LYS 20 2HB LYS 20 -1.450 -2.276 1.659 110 HG2 LYS 20 1HG LYS 20 -2.822 -0.681 0.717 111 HG3 LYS 20 2HG LYS 20 -3.484 -1.804 -0.473 112 HD2 LYS 20 1HD LYS 20 -4.411 -3.026 1.654 113 HD3 LYS 20 2HD LYS 20 -4.193 -1.444 2.405 114 HE2 LYS 20 1HE LYS 20 -5.708 -0.419 0.933 115 HE3 LYS 20 2HE LYS 20 -5.664 -1.775 -0.192 116 HZ1 LYS 20 3HZ LYS 20 -7.624 -2.185 0.855 117 HZ2 LYS 20 1HZ LYS 20 -7.138 -1.491 2.319 118 HZ3 LYS 20 2HZ LYS 20 -6.596 -3.036 1.895 119 H ALA 21 H ALA 21 -1.650 -0.474 -1.106 120 HA ALA 21 HA ALA 21 1.008 0.602 -0.480 121 HB1 ALA 21 3HB ALA 21 0.630 0.008 -2.975 122 HB2 ALA 21 1HB ALA 21 -0.368 1.463 -2.991 123 HB3 ALA 21 2HB ALA 21 1.338 1.568 -2.556 124 H PHE 22 H PHE 22 1.043 2.724 0.199 125 HA PHE 22 HA PHE 22 -1.487 4.198 0.245 126 HB2 PHE 22 1HB PHE 22 0.214 4.047 2.721 127 HB3 PHE 22 2HB PHE 22 -1.454 4.588 2.565 128 HD1 PHE 22 HD2 PHE 22 0.671 1.556 2.211 129 HD2 PHE 22 HD1 PHE 22 -3.183 3.142 3.074 130 HE1 PHE 22 HE2 PHE 22 -0.110 -0.692 2.836 131 HE2 PHE 22 HE1 PHE 22 -3.970 0.897 3.702 132 HZ PHE 22 HZ PHE 22 -2.433 -1.024 3.582 133 H VAL 23 H VAL 23 -1.234 6.482 0.681 134 HA VAL 23 HA VAL 23 1.247 7.498 -0.442 135 HB VAL 23 HB VAL 23 -1.282 8.971 0.310 136 HG11 VAL 23 1HG1 VAL 23 0.128 10.728 0.211 137 HG12 VAL 23 2HG1 VAL 23 1.341 9.840 -0.714 138 HG13 VAL 23 3HG1 VAL 23 -0.068 10.522 -1.529 139 HG21 VAL 23 3HG2 VAL 23 -0.294 7.919 -2.338 140 HG22 VAL 23 1HG2 VAL 23 -1.738 7.415 -1.459 141 HG23 VAL 23 2HG2 VAL 23 -1.648 9.034 -2.152 142 H LEU 24 H LEU 24 -0.628 7.745 2.543 143 HA LEU 24 HA LEU 24 1.576 9.256 3.768 144 HB2 LEU 24 1HB LEU 24 -1.188 8.837 4.880 145 HB3 LEU 24 2HB LEU 24 0.032 9.980 5.437 146 HG LEU 24 HG LEU 24 -1.183 10.176 2.696 147 HD11 LEU 24 1HD1 LEU 24 -2.996 11.332 3.437 148 HD12 LEU 24 2HD1 LEU 24 -2.191 11.876 4.908 149 HD13 LEU 24 3HD1 LEU 24 -2.800 10.225 4.796 150 HD21 LEU 24 3HD2 LEU 24 0.921 11.479 3.906 151 HD22 LEU 24 1HD2 LEU 24 -0.428 12.593 4.127 152 HD23 LEU 24 2HD2 LEU 24 0.011 12.051 2.507 153 H SER 25 H SER 25 1.808 8.758 6.198 154 HA SER 25 HA SER 25 2.462 5.965 6.420 155 HB2 SER 25 1HB SER 25 3.445 6.577 8.575 156 HB3 SER 25 2HB SER 25 3.949 7.718 7.329 157 HG SER 25 HG SER 25 3.268 9.110 8.771 158 H ALA 26 H ALA 26 0.214 8.191 8.022 159 HA ALA 26 HA ALA 26 -0.840 6.499 9.941 160 HB1 ALA 26 3HB ALA 26 -1.301 8.995 9.489 161 HB2 ALA 26 1HB ALA 26 -2.594 8.409 8.442 162 HB3 ALA 26 2HB ALA 26 -2.597 8.004 10.159 163 H HIS 27 H HIS 27 -1.850 6.903 6.560 164 HA HIS 27 HA HIS 27 -4.058 5.219 6.566 165 HB2 HIS 27 1HB HIS 27 -2.080 5.958 4.423 166 HB3 HIS 27 2HB HIS 27 -3.409 4.850 4.093 167 HD2 HIS 27 HD2 HIS 27 -5.004 7.260 6.352 168 HE1 HIS 27 HE1 HIS 27 -5.260 9.110 2.543 169 HE2 HIS 27 HE2 HIS 27 -6.027 9.171 4.941 170 H LEU 28 H LEU 28 -0.662 4.420 5.870 171 HA LEU 28 HA LEU 28 -1.062 1.683 5.389 172 HB2 LEU 28 1HB LEU 28 0.974 2.628 4.683 173 HB3 LEU 28 2HB LEU 28 1.317 3.279 6.284 174 HG LEU 28 HG LEU 28 1.616 0.919 7.079 175 HD11 LEU 28 1HD1 LEU 28 1.736 0.229 4.155 176 HD12 LEU 28 2HD1 LEU 28 0.313 -0.061 5.155 177 HD13 LEU 28 3HD1 LEU 28 1.838 -0.860 5.539 178 HD21 LEU 28 3HD2 LEU 28 3.702 0.852 5.194 179 HD22 LEU 28 1HD2 LEU 28 3.747 1.486 6.839 180 HD23 LEU 28 2HD2 LEU 28 3.349 2.555 5.493 181 H ASN 29 H ASN 29 -0.333 3.459 8.359 182 HA ASN 29 HA ASN 29 0.047 1.238 10.035 183 HB2 ASN 29 1HB ASN 29 -1.099 3.908 10.866 184 HB3 ASN 29 2HB ASN 29 -0.217 2.764 11.873 185 HD21 ASN 29 1HD2 ASN 29 0.533 5.394 11.708 186 HD22 ASN 29 2HD2 ASN 29 2.046 5.512 10.882 187 H GLN 30 H GLN 30 -2.863 3.082 9.214 188 HA GLN 30 HA GLN 30 -4.620 1.777 10.977 189 HB2 GLN 30 1HB GLN 30 -5.109 3.180 8.350 190 HB3 GLN 30 2HB GLN 30 -6.403 2.580 9.379 191 HG2 GLN 30 1HG GLN 30 -4.386 4.708 10.047 192 HG3 GLN 30 2HG GLN 30 -6.116 4.917 9.779 193 HE21 GLN 30 1HE2 GLN 30 -7.547 4.415 11.393 194 HE22 GLN 30 2HE2 GLN 30 -7.058 4.043 13.008 195 H HIS 31 H HIS 31 -3.262 0.827 7.944 196 HA HIS 31 HA HIS 31 -5.217 -1.204 7.376 197 HB2 HIS 31 1HB HIS 31 -4.066 -0.225 5.509 198 HB3 HIS 31 2HB HIS 31 -2.495 -0.609 6.207 199 HD1 HIS 31 HD1 HIS 31 -5.555 -2.473 4.928 200 HD2 HIS 31 HD2 HIS 31 -1.438 -2.917 5.268 201 HE1 HIS 31 HE1 HIS 31 -5.014 -4.635 3.764 202 H LEU 32 H LEU 32 -1.935 -1.122 8.704 203 HA LEU 32 HA LEU 32 -1.402 -3.820 8.890 204 HB2 LEU 32 1HB LEU 32 -0.706 -1.632 10.842 205 HB3 LEU 32 2HB LEU 32 0.012 -3.242 10.844 206 HG LEU 32 HG LEU 32 0.232 -1.304 8.544 207 HD11 LEU 32 1HD1 LEU 32 2.667 -1.236 9.444 208 HD12 LEU 32 2HD1 LEU 32 1.924 -1.702 10.973 209 HD13 LEU 32 3HD1 LEU 32 1.437 -0.207 10.176 210 HD21 LEU 32 3HD2 LEU 32 2.335 -3.008 8.392 211 HD22 LEU 32 1HD2 LEU 32 0.815 -3.218 7.522 212 HD23 LEU 32 2HD2 LEU 32 1.085 -4.070 9.043 213 H ARG 33 H ARG 33 -3.627 -1.904 10.738 214 HA ARG 33 HA ARG 33 -3.940 -3.433 13.029 215 HB2 ARG 33 1HB ARG 33 -6.101 -1.986 11.487 216 HB3 ARG 33 2HB ARG 33 -6.202 -2.493 13.167 217 HG2 ARG 33 1HG ARG 33 -4.131 -1.027 13.531 218 HG3 ARG 33 2HG ARG 33 -4.525 -0.328 11.959 219 HD2 ARG 33 1HD ARG 33 -6.536 -0.525 14.183 220 HD3 ARG 33 2HD ARG 33 -5.447 0.851 14.020 221 HE ARG 33 HE ARG 33 -6.721 0.455 11.566 222 HH11 ARG 33 1HH1 ARG 33 -7.502 1.397 14.825 223 HH12 ARG 33 2HH1 ARG 33 -8.844 2.387 14.356 224 HH21 ARG 33 1HH2 ARG 33 -8.485 1.755 10.936 225 HH22 ARG 33 2HH2 ARG 33 -9.403 2.589 12.144 226 H VAL 34 H VAL 34 -5.216 -3.941 9.795 227 HA VAL 34 HA VAL 34 -7.027 -6.017 10.462 228 HB VAL 34 HB VAL 34 -7.099 -6.519 8.088 229 HG11 VAL 34 1HG1 VAL 34 -8.491 -4.756 8.285 230 HG12 VAL 34 2HG1 VAL 34 -7.283 -3.755 9.092 231 HG13 VAL 34 3HG1 VAL 34 -7.254 -3.933 7.337 232 HG21 VAL 34 3HG2 VAL 34 -4.436 -5.459 8.139 233 HG22 VAL 34 1HG2 VAL 34 -5.258 -6.351 6.858 234 HG23 VAL 34 2HG2 VAL 34 -5.400 -4.595 6.941 235 H HIS 35 H HIS 35 -3.635 -5.913 10.271 236 HA HIS 35 HA HIS 35 -3.430 -8.815 9.894 237 HB2 HIS 35 1HB HIS 35 -1.225 -6.746 9.965 238 HB3 HIS 35 2HB HIS 35 -1.046 -8.448 9.546 239 HD1 HIS 35 HD1 HIS 35 -3.418 -8.725 7.592 240 HD2 HIS 35 HD2 HIS 35 -0.705 -5.578 7.559 241 HE1 HIS 35 HE1 HIS 35 -3.497 -7.793 5.257 242 H THR 36 H THR 36 -2.158 -6.260 12.028 243 HA THR 36 HA THR 36 -0.932 -7.820 13.933 244 HB THR 36 HB THR 36 -1.053 -5.256 13.789 245 HG1 THR 36 HG1 THR 36 -0.220 -6.761 15.599 246 HG21 THR 36 3HG2 THR 36 -3.395 -5.703 15.640 247 HG22 THR 36 1HG2 THR 36 -3.541 -5.167 13.966 248 HG23 THR 36 2HG2 THR 36 -2.706 -4.156 15.146 249 H GLN 37 H GLN 37 -4.327 -7.354 13.376 250 HA GLN 37 HA GLN 37 -5.160 -8.384 15.929 251 HB2 GLN 37 1HB GLN 37 -7.354 -8.039 15.204 252 HB3 GLN 37 2HB GLN 37 -6.450 -6.771 14.386 253 HG2 GLN 37 1HG GLN 37 -6.507 -7.934 12.326 254 HG3 GLN 37 2HG GLN 37 -7.110 -9.401 13.095 255 HE21 GLN 37 1HE2 GLN 37 -8.542 -8.749 11.067 256 HE22 GLN 37 2HE2 GLN 37 -10.012 -7.946 11.492 257 H GLU 38 H GLU 38 -4.665 -9.652 12.695 258 HA GLU 38 HA GLU 38 -5.032 -12.359 13.771 259 HB2 GLU 38 1HB GLU 38 -6.066 -13.003 11.565 260 HB3 GLU 38 2HB GLU 38 -7.064 -11.983 12.591 261 HG2 GLU 38 1HG GLU 38 -6.587 -10.058 11.267 262 HG3 GLU 38 2HG GLU 38 -5.375 -10.936 10.335 263 H THR 39 H THR 39 -3.291 -13.561 13.439 264 HA THR 39 HA THR 39 -1.139 -12.636 11.789 265 HB THR 39 HB THR 39 -0.542 -13.763 13.813 266 HG1 THR 39 HG1 THR 39 1.052 -14.745 12.829 267 HG21 THR 39 3HG2 THR 39 -2.429 -15.121 14.274 268 HG22 THR 39 1HG2 THR 39 -1.074 -16.229 14.064 269 HG23 THR 39 2HG2 THR 39 -2.247 -16.013 12.764 270 H LEU 40 H LEU 40 -3.583 -15.161 11.561 271 HA LEU 40 HA LEU 40 -2.547 -15.893 8.908 272 HB2 LEU 40 1HB LEU 40 -4.030 -17.356 11.021 273 HB3 LEU 40 2HB LEU 40 -4.373 -17.781 9.345 274 HG LEU 40 HG LEU 40 -2.666 -19.211 10.521 275 HD11 LEU 40 1HD1 LEU 40 -2.731 -19.375 8.186 276 HD12 LEU 40 2HD1 LEU 40 -1.037 -19.067 8.566 277 HD13 LEU 40 3HD1 LEU 40 -2.057 -17.760 7.965 278 HD21 LEU 40 3HD2 LEU 40 -0.320 -18.041 10.339 279 HD22 LEU 40 1HD2 LEU 40 -1.314 -17.861 11.785 280 HD23 LEU 40 2HD2 LEU 40 -1.276 -16.577 10.576 281 H SER 41 H SER 41 -3.471 -14.555 7.464 282 HA SER 41 HA SER 41 -6.391 -14.191 7.595 283 HB2 SER 41 1HB SER 41 -6.065 -12.157 6.263 284 HB3 SER 41 2HB SER 41 -5.101 -12.095 7.738 285 HG SER 41 HG SER 41 -3.506 -11.721 6.427 286 H GLY 42 H GLY 42 -3.679 -14.823 5.400 287 HA2 GLY 42 1HA GLY 42 -5.029 -15.082 3.003 288 HA3 GLY 42 2HA GLY 42 -3.590 -15.997 3.428 289 HA PRO 43 HA PRO 43 -7.441 -18.738 3.010 290 HB2 PRO 43 1HB PRO 43 -6.758 -19.976 0.692 291 HB3 PRO 43 2HB PRO 43 -7.715 -18.491 0.742 292 HG2 PRO 43 1HG PRO 43 -4.789 -18.841 0.218 293 HG3 PRO 43 2HG PRO 43 -5.957 -17.793 -0.610 294 HD2 PRO 43 1HD PRO 43 -4.240 -16.864 1.267 295 HD3 PRO 43 2HD PRO 43 -5.860 -16.178 1.032 296 H SER 44 H SER 44 -4.112 -19.488 1.970 297 HA SER 44 HA SER 44 -4.306 -22.070 3.348 298 HB2 SER 44 1HB SER 44 -3.548 -22.055 0.976 299 HB3 SER 44 2HB SER 44 -2.157 -21.084 1.456 300 HG SER 44 HG SER 44 -1.855 -22.950 3.032 301 H SER 45 H SER 45 -3.078 -22.578 5.081 302 HA SER 45 HA SER 45 -1.971 -20.521 6.651 303 HB2 SER 45 1HB SER 45 -2.874 -22.820 7.392 304 HB3 SER 45 2HB SER 45 -1.269 -23.432 6.991 305 HG SER 45 HG SER 45 -1.614 -21.201 8.686 306 H GLY 46 H GLY 46 -0.056 -19.555 6.565 307 HA2 GLY 46 1HA GLY 46 2.030 -20.740 4.872 308 HA3 GLY 46 2HA GLY 46 1.936 -19.054 5.359 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -6.748 -7.488 -27.209 2 HA2 GLY 1 1HA GLY 1 -3.899 -6.834 -26.984 3 HA3 GLY 1 2HA GLY 1 -4.963 -5.640 -27.715 4 H SER 2 H SER 2 -3.417 -6.284 -24.972 5 HA SER 2 HA SER 2 -5.488 -4.986 -23.332 6 HB2 SER 2 1HB SER 2 -3.552 -7.092 -22.343 7 HB3 SER 2 2HB SER 2 -4.818 -6.302 -21.403 8 HG SER 2 HG SER 2 -5.835 -8.075 -22.023 9 H SER 3 H SER 3 -4.775 -2.976 -23.039 10 HA SER 3 HA SER 3 -2.023 -2.613 -22.074 11 HB2 SER 3 1HB SER 3 -2.533 -1.938 -24.571 12 HB3 SER 3 2HB SER 3 -3.253 -0.514 -23.819 13 HG SER 3 HG SER 3 -0.605 -1.254 -24.039 14 H GLY 4 H GLY 4 -4.254 -2.848 -20.436 15 HA2 GLY 4 1HA GLY 4 -5.391 -0.318 -19.777 16 HA3 GLY 4 2HA GLY 4 -5.451 -1.772 -18.791 17 H SER 5 H SER 5 -4.598 1.297 -18.612 18 HA SER 5 HA SER 5 -2.695 0.808 -16.485 19 HB2 SER 5 1HB SER 5 -1.956 2.195 -19.040 20 HB3 SER 5 2HB SER 5 -1.208 2.698 -17.525 21 HG SER 5 HG SER 5 -1.150 0.123 -18.710 22 H SER 6 H SER 6 -2.249 2.771 -15.222 23 HA SER 6 HA SER 6 -4.114 4.978 -15.637 24 HB2 SER 6 1HB SER 6 -4.044 3.264 -13.147 25 HB3 SER 6 2HB SER 6 -4.811 4.850 -13.217 26 HG SER 6 HG SER 6 -5.854 2.535 -13.901 27 H GLY 7 H GLY 7 -3.520 6.909 -14.601 28 HA2 GLY 7 1HA GLY 7 -0.682 7.089 -14.031 29 HA3 GLY 7 2HA GLY 7 -1.804 8.432 -14.187 30 H THR 8 H THR 8 -1.200 5.659 -12.029 31 HA THR 8 HA THR 8 -2.253 7.134 -9.768 32 HB THR 8 HB THR 8 -1.698 5.081 -8.470 33 HG1 THR 8 HG1 THR 8 -1.043 3.914 -10.977 34 HG21 THR 8 3HG2 THR 8 -3.350 4.826 -10.975 35 HG22 THR 8 1HG2 THR 8 -3.900 5.182 -9.338 36 HG23 THR 8 2HG2 THR 8 -3.300 3.572 -9.736 37 H GLY 9 H GLY 9 0.858 5.575 -10.571 38 HA2 GLY 9 1HA GLY 9 2.970 6.608 -10.246 39 HA3 GLY 9 2HA GLY 9 2.225 7.708 -9.095 40 H GLU 10 H GLU 10 4.635 6.274 -8.660 41 HA GLU 10 HA GLU 10 4.126 3.977 -7.037 42 HB2 GLU 10 1HB GLU 10 6.299 4.679 -8.300 43 HB3 GLU 10 2HB GLU 10 6.634 5.609 -6.846 44 HG2 GLU 10 1HG GLU 10 6.563 3.607 -5.501 45 HG3 GLU 10 2HG GLU 10 6.110 2.647 -6.908 46 H LYS 11 H LYS 11 3.981 3.794 -4.848 47 HA LYS 11 HA LYS 11 3.607 6.303 -3.371 48 HB2 LYS 11 1HB LYS 11 2.736 3.496 -2.657 49 HB3 LYS 11 2HB LYS 11 2.360 4.951 -1.745 50 HG2 LYS 11 1HG LYS 11 1.215 3.951 -4.284 51 HG3 LYS 11 2HG LYS 11 0.431 4.746 -2.917 52 HD2 LYS 11 1HD LYS 11 1.661 6.855 -3.646 53 HD3 LYS 11 2HD LYS 11 2.021 5.994 -5.145 54 HE2 LYS 11 1HE LYS 11 -0.386 5.660 -5.510 55 HE3 LYS 11 2HE LYS 11 -0.726 6.553 -4.029 56 HZ1 LYS 11 3HZ LYS 11 0.834 7.762 -6.227 57 HZ2 LYS 11 1HZ LYS 11 0.012 8.535 -4.966 58 HZ3 LYS 11 2HZ LYS 11 -0.857 7.807 -6.221 59 HA PRO 12 HA PRO 12 7.276 5.681 -1.025 60 HB2 PRO 12 1HB PRO 12 6.612 7.056 1.219 61 HB3 PRO 12 2HB PRO 12 7.012 7.848 -0.309 62 HG2 PRO 12 1HG PRO 12 4.325 7.267 0.877 63 HG3 PRO 12 2HG PRO 12 4.896 8.737 0.067 64 HD2 PRO 12 1HD PRO 12 3.363 6.888 -1.183 65 HD3 PRO 12 2HD PRO 12 4.586 7.850 -2.038 66 H TYR 13 H TYR 13 4.187 5.118 0.630 67 HA TYR 13 HA TYR 13 5.500 3.182 2.397 68 HB2 TYR 13 1HB TYR 13 2.659 4.193 2.564 69 HB3 TYR 13 2HB TYR 13 3.560 3.327 3.804 70 HD1 TYR 13 HD1 TYR 13 5.311 4.466 5.091 71 HD2 TYR 13 HD2 TYR 13 2.972 6.556 2.216 72 HE1 TYR 13 HE1 TYR 13 6.054 6.605 6.051 73 HE2 TYR 13 HE2 TYR 13 3.709 8.701 3.168 74 HH TYR 13 HH TYR 13 6.124 9.284 4.740 75 H SER 14 H SER 14 4.524 1.098 2.747 76 HA SER 14 HA SER 14 2.464 0.088 1.074 77 HB2 SER 14 1HB SER 14 3.797 -1.410 -0.331 78 HB3 SER 14 2HB SER 14 4.243 0.269 -0.630 79 HG SER 14 HG SER 14 6.190 -0.212 -0.038 80 H CYS 15 H CYS 15 1.884 -2.047 1.589 81 HA CYS 15 HA CYS 15 3.004 -2.974 4.127 82 HB2 CYS 15 1HB CYS 15 0.650 -2.767 4.239 83 HB3 CYS 15 2HB CYS 15 0.427 -3.539 2.672 84 H ASN 16 H ASN 16 3.678 -5.107 4.460 85 HA ASN 16 HA ASN 16 4.448 -6.518 1.996 86 HB2 ASN 16 1HB ASN 16 6.089 -7.681 3.629 87 HB3 ASN 16 2HB ASN 16 6.429 -6.024 3.139 88 HD21 ASN 16 1HD2 ASN 16 6.390 -4.414 4.631 89 HD22 ASN 16 2HD2 ASN 16 6.171 -4.683 6.324 90 H VAL 17 H VAL 17 2.665 -6.768 4.947 91 HA VAL 17 HA VAL 17 2.497 -9.514 5.309 92 HB VAL 17 HB VAL 17 0.300 -7.486 5.747 93 HG11 VAL 17 1HG1 VAL 17 0.664 -10.329 6.627 94 HG12 VAL 17 2HG1 VAL 17 -0.325 -9.201 7.557 95 HG13 VAL 17 3HG1 VAL 17 -0.742 -9.568 5.883 96 HG21 VAL 17 3HG2 VAL 17 2.044 -8.524 7.926 97 HG22 VAL 17 1HG2 VAL 17 2.675 -7.267 6.862 98 HG23 VAL 17 2HG2 VAL 17 1.204 -6.979 7.791 99 H CYS 18 H CYS 18 0.247 -7.440 3.473 100 HA CYS 18 HA CYS 18 -0.651 -9.845 2.030 101 HB2 CYS 18 1HB CYS 18 -2.730 -8.676 1.584 102 HB3 CYS 18 2HB CYS 18 -2.405 -8.649 3.314 103 H GLY 19 H GLY 19 0.453 -6.521 1.677 104 HA2 GLY 19 1HA GLY 19 1.918 -6.008 -0.192 105 HA3 GLY 19 2HA GLY 19 0.942 -7.087 -1.178 106 H LYS 20 H LYS 20 0.580 -4.145 0.800 107 HA LYS 20 HA LYS 20 -1.232 -3.105 -1.280 108 HB2 LYS 20 1HB LYS 20 -2.132 -3.626 1.112 109 HB3 LYS 20 2HB LYS 20 -1.301 -2.142 1.560 110 HG2 LYS 20 1HG LYS 20 -2.746 -0.814 0.399 111 HG3 LYS 20 2HG LYS 20 -3.129 -2.071 -0.779 112 HD2 LYS 20 1HD LYS 20 -4.322 -3.282 1.094 113 HD3 LYS 20 2HD LYS 20 -4.134 -1.808 2.048 114 HE2 LYS 20 1HE LYS 20 -5.594 -2.094 -0.576 115 HE3 LYS 20 2HE LYS 20 -6.316 -1.835 1.012 116 HZ1 LYS 20 3HZ LYS 20 -6.145 0.197 -0.372 117 HZ2 LYS 20 1HZ LYS 20 -4.459 0.078 -0.291 118 HZ3 LYS 20 2HZ LYS 20 -5.358 0.328 1.120 119 H ALA 21 H ALA 21 -1.386 -0.569 -0.973 120 HA ALA 21 HA ALA 21 1.271 0.557 -0.466 121 HB1 ALA 21 3HB ALA 21 1.368 1.693 -2.564 122 HB2 ALA 21 1HB ALA 21 1.078 -0.016 -2.890 123 HB3 ALA 21 2HB ALA 21 -0.249 1.142 -3.000 124 H PHE 22 H PHE 22 1.275 2.681 0.204 125 HA PHE 22 HA PHE 22 -1.271 4.119 0.275 126 HB2 PHE 22 1HB PHE 22 0.456 3.726 2.728 127 HB3 PHE 22 2HB PHE 22 -1.050 4.634 2.642 128 HD1 PHE 22 HD2 PHE 22 0.437 1.272 2.551 129 HD2 PHE 22 HD1 PHE 22 -3.160 3.541 2.721 130 HE1 PHE 22 HE2 PHE 22 -0.818 -0.766 3.122 131 HE2 PHE 22 HE1 PHE 22 -4.420 1.507 3.293 132 HZ PHE 22 HZ PHE 22 -3.249 -0.651 3.493 133 H VAL 23 H VAL 23 -1.074 6.380 0.499 134 HA VAL 23 HA VAL 23 1.405 7.428 -0.542 135 HB VAL 23 HB VAL 23 -1.148 8.855 0.218 136 HG11 VAL 23 1HG1 VAL 23 1.433 9.789 -0.948 137 HG12 VAL 23 2HG1 VAL 23 -0.072 10.558 -1.457 138 HG13 VAL 23 3HG1 VAL 23 0.390 10.563 0.246 139 HG21 VAL 23 3HG2 VAL 23 -0.217 7.479 -2.233 140 HG22 VAL 23 1HG2 VAL 23 -1.847 7.673 -1.589 141 HG23 VAL 23 2HG2 VAL 23 -1.073 9.006 -2.446 142 H LEU 24 H LEU 24 -0.440 7.643 2.462 143 HA LEU 24 HA LEU 24 1.813 9.098 3.679 144 HB2 LEU 24 1HB LEU 24 -0.991 8.918 4.752 145 HB3 LEU 24 2HB LEU 24 0.299 9.998 5.280 146 HG LEU 24 HG LEU 24 -0.970 10.146 2.551 147 HD11 LEU 24 1HD1 LEU 24 -2.350 10.613 4.823 148 HD12 LEU 24 2HD1 LEU 24 -2.623 11.470 3.306 149 HD13 LEU 24 3HD1 LEU 24 -1.616 12.195 4.559 150 HD21 LEU 24 3HD2 LEU 24 0.234 12.066 2.229 151 HD22 LEU 24 1HD2 LEU 24 1.371 11.144 3.213 152 HD23 LEU 24 2HD2 LEU 24 0.378 12.399 3.956 153 H SER 25 H SER 25 2.060 8.635 6.075 154 HA SER 25 HA SER 25 2.432 5.807 6.399 155 HB2 SER 25 1HB SER 25 3.540 6.367 8.469 156 HB3 SER 25 2HB SER 25 4.042 7.534 7.246 157 HG SER 25 HG SER 25 1.958 7.977 9.119 158 H ALA 26 H ALA 26 0.380 8.279 7.892 159 HA ALA 26 HA ALA 26 -0.810 6.789 9.891 160 HB1 ALA 26 3HB ALA 26 -2.270 8.814 8.208 161 HB2 ALA 26 1HB ALA 26 -2.577 8.379 9.890 162 HB3 ALA 26 2HB ALA 26 -1.101 9.243 9.457 163 H HIS 27 H HIS 27 -1.638 6.952 6.457 164 HA HIS 27 HA HIS 27 -4.004 5.437 6.576 165 HB2 HIS 27 1HB HIS 27 -2.023 5.972 4.372 166 HB3 HIS 27 2HB HIS 27 -3.437 4.955 4.115 167 HD2 HIS 27 HD2 HIS 27 -5.284 7.177 6.063 168 HE1 HIS 27 HE1 HIS 27 -4.643 9.563 2.614 169 HE2 HIS 27 HE2 HIS 27 -5.948 9.306 4.753 170 H LEU 28 H LEU 28 -0.637 4.477 6.006 171 HA LEU 28 HA LEU 28 -1.131 1.748 5.552 172 HB2 LEU 28 1HB LEU 28 0.972 2.695 4.938 173 HB3 LEU 28 2HB LEU 28 1.291 3.199 6.597 174 HG LEU 28 HG LEU 28 1.413 0.772 7.215 175 HD11 LEU 28 1HD1 LEU 28 1.797 -0.827 5.384 176 HD12 LEU 28 2HD1 LEU 28 1.357 0.424 4.221 177 HD13 LEU 28 3HD1 LEU 28 0.161 -0.169 5.374 178 HD21 LEU 28 3HD2 LEU 28 3.303 2.379 5.740 179 HD22 LEU 28 1HD2 LEU 28 3.575 0.658 5.466 180 HD23 LEU 28 2HD2 LEU 28 3.570 1.299 7.109 181 H ASN 29 H ASN 29 -0.323 3.516 8.522 182 HA ASN 29 HA ASN 29 -0.059 1.423 10.290 183 HB2 ASN 29 1HB ASN 29 -1.046 4.234 10.576 184 HB3 ASN 29 2HB ASN 29 -1.178 3.139 11.948 185 HD21 ASN 29 1HD2 ASN 29 0.771 5.319 10.378 186 HD22 ASN 29 2HD2 ASN 29 2.280 4.917 11.118 187 H GLN 30 H GLN 30 -3.076 3.180 9.559 188 HA GLN 30 HA GLN 30 -4.815 1.699 11.105 189 HB2 GLN 30 1HB GLN 30 -5.095 3.299 8.614 190 HB3 GLN 30 2HB GLN 30 -6.437 2.255 9.059 191 HG2 GLN 30 1HG GLN 30 -6.584 4.623 9.864 192 HG3 GLN 30 2HG GLN 30 -6.766 3.383 11.103 193 HE21 GLN 30 1HE2 GLN 30 -5.193 3.141 12.663 194 HE22 GLN 30 2HE2 GLN 30 -3.943 4.306 12.917 195 H HIS 31 H HIS 31 -3.719 1.047 7.798 196 HA HIS 31 HA HIS 31 -5.323 -1.163 7.252 197 HB2 HIS 31 1HB HIS 31 -4.101 -0.231 5.451 198 HB3 HIS 31 2HB HIS 31 -2.569 -0.390 6.305 199 HD1 HIS 31 HD1 HIS 31 -5.232 -2.609 4.754 200 HD2 HIS 31 HD2 HIS 31 -1.185 -2.646 5.691 201 HE1 HIS 31 HE1 HIS 31 -4.337 -4.750 3.784 202 H LEU 32 H LEU 32 -2.079 -1.048 8.703 203 HA LEU 32 HA LEU 32 -1.491 -3.688 8.979 204 HB2 LEU 32 1HB LEU 32 -1.097 -1.507 11.020 205 HB3 LEU 32 2HB LEU 32 -0.316 -3.086 11.085 206 HG LEU 32 HG LEU 32 0.062 -1.110 8.839 207 HD11 LEU 32 1HD1 LEU 32 0.863 -0.438 11.205 208 HD12 LEU 32 2HD1 LEU 32 1.983 -0.310 9.849 209 HD13 LEU 32 3HD1 LEU 32 2.094 -1.676 10.959 210 HD21 LEU 32 3HD2 LEU 32 2.195 -2.969 9.235 211 HD22 LEU 32 1HD2 LEU 32 1.168 -2.739 7.819 212 HD23 LEU 32 2HD2 LEU 32 0.672 -3.850 9.096 213 H ARG 33 H ARG 33 -3.955 -1.904 10.660 214 HA ARG 33 HA ARG 33 -4.472 -3.346 12.905 215 HB2 ARG 33 1HB ARG 33 -6.470 -2.274 10.908 216 HB3 ARG 33 2HB ARG 33 -6.895 -2.841 12.518 217 HG2 ARG 33 1HG ARG 33 -4.790 -0.761 12.282 218 HG3 ARG 33 2HG ARG 33 -6.468 -0.291 12.007 219 HD2 ARG 33 1HD ARG 33 -6.333 0.044 14.262 220 HD3 ARG 33 2HD ARG 33 -6.851 -1.641 14.238 221 HE ARG 33 HE ARG 33 -4.836 -2.232 15.140 222 HH11 ARG 33 1HH1 ARG 33 -4.594 0.988 13.838 223 HH12 ARG 33 2HH1 ARG 33 -3.011 1.271 14.484 224 HH21 ARG 33 1HH2 ARG 33 -2.752 -1.871 15.997 225 HH22 ARG 33 2HH2 ARG 33 -1.965 -0.356 15.711 226 H VAL 34 H VAL 34 -5.630 -4.161 9.638 227 HA VAL 34 HA VAL 34 -7.024 -6.479 10.259 228 HB VAL 34 HB VAL 34 -6.924 -7.067 7.976 229 HG11 VAL 34 1HG1 VAL 34 -7.411 -4.398 8.763 230 HG12 VAL 34 2HG1 VAL 34 -6.614 -4.343 7.190 231 HG13 VAL 34 3HG1 VAL 34 -8.098 -5.275 7.397 232 HG21 VAL 34 3HG2 VAL 34 -4.463 -5.338 7.733 233 HG22 VAL 34 1HG2 VAL 34 -4.493 -7.101 7.743 234 HG23 VAL 34 2HG2 VAL 34 -5.246 -6.213 6.418 235 H HIS 35 H HIS 35 -3.578 -5.992 9.740 236 HA HIS 35 HA HIS 35 -3.059 -8.847 10.061 237 HB2 HIS 35 1HB HIS 35 -1.039 -6.643 9.629 238 HB3 HIS 35 2HB HIS 35 -0.806 -8.373 9.392 239 HD1 HIS 35 HD1 HIS 35 -2.941 -9.226 7.567 240 HD2 HIS 35 HD2 HIS 35 -1.145 -5.499 7.194 241 HE1 HIS 35 HE1 HIS 35 -3.349 -8.518 5.189 242 H THR 36 H THR 36 -4.147 -7.650 12.317 243 HA THR 36 HA THR 36 -1.936 -7.122 14.145 244 HB THR 36 HB THR 36 -3.991 -5.715 14.241 245 HG1 THR 36 HG1 THR 36 -3.053 -5.580 16.158 246 HG21 THR 36 3HG2 THR 36 -5.464 -7.841 13.847 247 HG22 THR 36 1HG2 THR 36 -6.067 -6.526 14.854 248 HG23 THR 36 2HG2 THR 36 -5.396 -7.975 15.604 249 H GLN 37 H GLN 37 -4.425 -9.531 13.523 250 HA GLN 37 HA GLN 37 -3.144 -11.271 15.526 251 HB2 GLN 37 1HB GLN 37 -5.287 -12.313 15.949 252 HB3 GLN 37 2HB GLN 37 -5.428 -10.576 16.184 253 HG2 GLN 37 1HG GLN 37 -6.132 -11.754 13.540 254 HG3 GLN 37 2HG GLN 37 -7.261 -11.897 14.886 255 HE21 GLN 37 1HE2 GLN 37 -6.566 -10.119 12.268 256 HE22 GLN 37 2HE2 GLN 37 -7.217 -8.592 12.747 257 H GLU 38 H GLU 38 -3.801 -10.784 12.280 258 HA GLU 38 HA GLU 38 -4.190 -13.467 11.421 259 HB2 GLU 38 1HB GLU 38 -4.844 -11.592 10.013 260 HB3 GLU 38 2HB GLU 38 -3.176 -11.045 9.924 261 HG2 GLU 38 1HG GLU 38 -3.389 -12.122 7.922 262 HG3 GLU 38 2HG GLU 38 -2.751 -13.419 8.931 263 H THR 39 H THR 39 -2.760 -15.055 11.482 264 HA THR 39 HA THR 39 0.092 -14.418 11.648 265 HB THR 39 HB THR 39 0.426 -16.695 12.409 266 HG1 THR 39 HG1 THR 39 -2.360 -17.001 11.880 267 HG21 THR 39 3HG2 THR 39 -0.186 -15.144 14.137 268 HG22 THR 39 1HG2 THR 39 -1.013 -16.669 14.453 269 HG23 THR 39 2HG2 THR 39 -1.899 -15.315 13.751 270 H LEU 40 H LEU 40 -2.030 -16.726 9.944 271 HA LEU 40 HA LEU 40 0.033 -17.039 7.888 272 HB2 LEU 40 1HB LEU 40 -2.517 -18.587 8.319 273 HB3 LEU 40 2HB LEU 40 -1.268 -18.957 7.131 274 HG LEU 40 HG LEU 40 -0.703 -18.956 10.083 275 HD11 LEU 40 1HD1 LEU 40 -1.754 -21.209 8.383 276 HD12 LEU 40 2HD1 LEU 40 -2.502 -20.509 9.818 277 HD13 LEU 40 3HD1 LEU 40 -1.002 -21.424 9.964 278 HD21 LEU 40 3HD2 LEU 40 1.087 -18.921 8.210 279 HD22 LEU 40 1HD2 LEU 40 0.627 -20.607 7.973 280 HD23 LEU 40 2HD2 LEU 40 1.249 -20.074 9.535 281 H SER 41 H SER 41 -0.120 -15.997 6.022 282 HA SER 41 HA SER 41 -2.704 -14.803 5.290 283 HB2 SER 41 1HB SER 41 -1.104 -13.079 5.465 284 HB3 SER 41 2HB SER 41 0.145 -14.039 4.673 285 HG SER 41 HG SER 41 -1.337 -12.286 3.525 286 H GLY 42 H GLY 42 -3.645 -16.533 4.222 287 HA2 GLY 42 1HA GLY 42 -4.206 -17.616 2.254 288 HA3 GLY 42 2HA GLY 42 -2.792 -16.897 1.497 289 HA PRO 43 HA PRO 43 -2.199 -21.471 2.908 290 HB2 PRO 43 1HB PRO 43 -3.156 -22.830 0.762 291 HB3 PRO 43 2HB PRO 43 -4.147 -22.442 2.172 292 HG2 PRO 43 1HG PRO 43 -3.994 -21.053 -0.475 293 HG3 PRO 43 2HG PRO 43 -5.422 -21.454 0.497 294 HD2 PRO 43 1HD PRO 43 -4.335 -18.974 0.458 295 HD3 PRO 43 2HD PRO 43 -5.134 -19.644 1.895 296 H SER 44 H SER 44 -0.057 -21.594 2.620 297 HA SER 44 HA SER 44 0.986 -21.460 -0.134 298 HB2 SER 44 1HB SER 44 1.653 -19.687 1.722 299 HB3 SER 44 2HB SER 44 2.772 -20.960 2.209 300 HG SER 44 HG SER 44 2.568 -19.989 -0.446 301 H SER 45 H SER 45 2.007 -22.705 3.051 302 HA SER 45 HA SER 45 3.670 -24.720 2.098 303 HB2 SER 45 1HB SER 45 3.418 -25.748 4.336 304 HB3 SER 45 2HB SER 45 3.690 -24.008 4.435 305 HG SER 45 HG SER 45 1.204 -24.034 4.409 306 H GLY 46 H GLY 46 3.174 -26.361 0.810 307 HA2 GLY 46 1HA GLY 46 1.083 -28.201 1.492 308 HA3 GLY 46 2HA GLY 46 0.693 -27.251 0.066 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -8.620 -3.506 -22.633 2 HA2 GLY 1 1HA GLY 1 -7.379 -2.925 -25.179 3 HA3 GLY 1 2HA GLY 1 -8.763 -1.907 -24.810 4 H SER 2 H SER 2 -5.824 -1.351 -25.069 5 HA SER 2 HA SER 2 -5.015 -0.575 -22.404 6 HB2 SER 2 1HB SER 2 -3.257 -1.308 -23.854 7 HB3 SER 2 2HB SER 2 -3.758 -0.196 -25.127 8 HG SER 2 HG SER 2 -3.114 0.911 -22.657 9 H SER 3 H SER 3 -5.981 1.121 -21.502 10 HA SER 3 HA SER 3 -6.953 3.322 -23.122 11 HB2 SER 3 1HB SER 3 -8.281 2.404 -21.214 12 HB3 SER 3 2HB SER 3 -7.039 3.001 -20.113 13 HG SER 3 HG SER 3 -8.810 4.460 -20.366 14 H GLY 4 H GLY 4 -5.873 5.143 -23.496 15 HA2 GLY 4 1HA GLY 4 -3.234 5.528 -22.498 16 HA3 GLY 4 2HA GLY 4 -4.146 6.664 -23.480 17 H SER 5 H SER 5 -3.905 5.416 -20.162 18 HA SER 5 HA SER 5 -5.038 7.912 -19.149 19 HB2 SER 5 1HB SER 5 -5.788 5.645 -18.293 20 HB3 SER 5 2HB SER 5 -4.201 5.497 -17.536 21 HG SER 5 HG SER 5 -6.205 6.546 -16.412 22 H SER 6 H SER 6 -3.975 9.185 -17.576 23 HA SER 6 HA SER 6 -1.121 8.697 -17.170 24 HB2 SER 6 1HB SER 6 -0.617 11.082 -17.751 25 HB3 SER 6 2HB SER 6 -1.136 10.111 -19.129 26 HG SER 6 HG SER 6 -2.200 12.130 -19.072 27 H GLY 7 H GLY 7 -0.602 8.997 -15.108 28 HA2 GLY 7 1HA GLY 7 -0.721 10.864 -13.347 29 HA3 GLY 7 2HA GLY 7 -2.450 10.563 -13.431 30 H THR 8 H THR 8 0.530 8.627 -13.116 31 HA THR 8 HA THR 8 -0.489 7.477 -10.645 32 HB THR 8 HB THR 8 0.322 5.661 -12.920 33 HG1 THR 8 HG1 THR 8 -2.307 5.901 -11.902 34 HG21 THR 8 3HG2 THR 8 0.004 3.904 -11.508 35 HG22 THR 8 1HG2 THR 8 -1.239 4.736 -10.575 36 HG23 THR 8 2HG2 THR 8 0.463 5.111 -10.308 37 H GLY 9 H GLY 9 1.114 7.273 -9.219 38 HA2 GLY 9 1HA GLY 9 3.851 6.854 -10.225 39 HA3 GLY 9 2HA GLY 9 3.525 8.153 -9.088 40 H GLU 10 H GLU 10 5.391 6.367 -8.378 41 HA GLU 10 HA GLU 10 4.402 4.115 -6.961 42 HB2 GLU 10 1HB GLU 10 6.626 3.894 -6.077 43 HB3 GLU 10 2HB GLU 10 6.748 4.362 -7.767 44 HG2 GLU 10 1HG GLU 10 7.259 6.628 -7.160 45 HG3 GLU 10 2HG GLU 10 6.979 6.274 -5.456 46 H LYS 11 H LYS 11 4.445 3.802 -4.643 47 HA LYS 11 HA LYS 11 3.693 6.254 -3.198 48 HB2 LYS 11 1HB LYS 11 2.923 3.381 -2.647 49 HB3 LYS 11 2HB LYS 11 2.425 4.767 -1.685 50 HG2 LYS 11 1HG LYS 11 1.486 3.862 -4.341 51 HG3 LYS 11 2HG LYS 11 0.583 4.547 -2.988 52 HD2 LYS 11 1HD LYS 11 1.746 6.743 -3.523 53 HD3 LYS 11 2HD LYS 11 2.259 5.985 -5.032 54 HE2 LYS 11 1HE LYS 11 0.145 7.373 -5.136 55 HE3 LYS 11 2HE LYS 11 0.034 5.735 -5.776 56 HZ1 LYS 11 3HZ LYS 11 -0.626 6.012 -2.970 57 HZ2 LYS 11 1HZ LYS 11 -1.397 5.118 -4.182 58 HZ3 LYS 11 2HZ LYS 11 -1.697 6.776 -4.034 59 HA PRO 12 HA PRO 12 7.204 5.797 -0.584 60 HB2 PRO 12 1HB PRO 12 6.305 7.153 1.590 61 HB3 PRO 12 2HB PRO 12 6.795 7.954 0.092 62 HG2 PRO 12 1HG PRO 12 4.047 7.268 1.063 63 HG3 PRO 12 2HG PRO 12 4.621 8.757 0.290 64 HD2 PRO 12 1HD PRO 12 3.270 6.841 -1.064 65 HD3 PRO 12 2HD PRO 12 4.518 7.849 -1.826 66 H TYR 13 H TYR 13 4.007 4.930 0.614 67 HA TYR 13 HA TYR 13 5.266 3.063 2.512 68 HB2 TYR 13 1HB TYR 13 2.423 4.075 2.616 69 HB3 TYR 13 2HB TYR 13 3.293 3.192 3.865 70 HD1 TYR 13 HD1 TYR 13 5.016 4.314 5.210 71 HD2 TYR 13 HD2 TYR 13 2.727 6.444 2.323 72 HE1 TYR 13 HE1 TYR 13 5.725 6.439 6.224 73 HE2 TYR 13 HE2 TYR 13 3.431 8.575 3.329 74 HH TYR 13 HH TYR 13 5.971 8.833 5.500 75 H SER 14 H SER 14 4.366 0.959 2.728 76 HA SER 14 HA SER 14 2.307 -0.012 1.030 77 HB2 SER 14 1HB SER 14 3.621 -1.387 -0.481 78 HB3 SER 14 2HB SER 14 4.118 0.296 -0.653 79 HG SER 14 HG SER 14 5.714 -0.510 1.129 80 H CYS 15 H CYS 15 1.662 -2.071 1.586 81 HA CYS 15 HA CYS 15 2.838 -3.114 4.033 82 HB2 CYS 15 1HB CYS 15 0.455 -2.926 4.070 83 HB3 CYS 15 2HB CYS 15 0.303 -3.765 2.530 84 H ASN 16 H ASN 16 3.603 -5.215 4.294 85 HA ASN 16 HA ASN 16 4.389 -6.538 1.787 86 HB2 ASN 16 1HB ASN 16 6.287 -7.426 2.936 87 HB3 ASN 16 2HB ASN 16 6.198 -5.716 3.346 88 HD21 ASN 16 1HD2 ASN 16 5.680 -5.103 5.425 89 HD22 ASN 16 2HD2 ASN 16 5.670 -6.215 6.748 90 H VAL 17 H VAL 17 2.815 -6.987 4.870 91 HA VAL 17 HA VAL 17 2.697 -9.743 5.059 92 HB VAL 17 HB VAL 17 0.510 -7.786 5.777 93 HG11 VAL 17 1HG1 VAL 17 -0.691 -9.521 6.463 94 HG12 VAL 17 2HG1 VAL 17 0.541 -10.616 5.833 95 HG13 VAL 17 3HG1 VAL 17 0.634 -10.048 7.500 96 HG21 VAL 17 3HG2 VAL 17 2.077 -7.020 7.192 97 HG22 VAL 17 1HG2 VAL 17 1.736 -8.491 8.103 98 HG23 VAL 17 2HG2 VAL 17 3.099 -8.442 6.985 99 H CYS 18 H CYS 18 0.238 -7.629 3.565 100 HA CYS 18 HA CYS 18 -0.731 -9.958 2.054 101 HB2 CYS 18 1HB CYS 18 -2.844 -8.894 1.891 102 HB3 CYS 18 2HB CYS 18 -2.322 -8.662 3.557 103 H GLY 19 H GLY 19 0.472 -6.678 1.762 104 HA2 GLY 19 1HA GLY 19 1.764 -6.045 -0.161 105 HA3 GLY 19 2HA GLY 19 0.782 -7.135 -1.129 106 H LYS 20 H LYS 20 0.755 -4.075 0.627 107 HA LYS 20 HA LYS 20 -1.297 -3.117 -1.249 108 HB2 LYS 20 1HB LYS 20 -2.001 -3.640 1.251 109 HB3 LYS 20 2HB LYS 20 -1.272 -2.067 1.546 110 HG2 LYS 20 1HG LYS 20 -2.865 -0.946 0.317 111 HG3 LYS 20 2HG LYS 20 -3.285 -2.372 -0.634 112 HD2 LYS 20 1HD LYS 20 -4.116 -3.337 1.617 113 HD3 LYS 20 2HD LYS 20 -4.091 -1.659 2.164 114 HE2 LYS 20 1HE LYS 20 -5.594 -2.706 -0.234 115 HE3 LYS 20 2HE LYS 20 -6.304 -2.331 1.335 116 HZ1 LYS 20 3HZ LYS 20 -6.703 -0.397 0.234 117 HZ2 LYS 20 1HZ LYS 20 -5.328 -0.517 -0.745 118 HZ3 LYS 20 2HZ LYS 20 -5.179 -0.025 0.866 119 H ALA 21 H ALA 21 -1.461 -0.581 -0.929 120 HA ALA 21 HA ALA 21 1.190 0.585 -0.517 121 HB1 ALA 21 3HB ALA 21 1.384 0.253 -2.805 122 HB2 ALA 21 1HB ALA 21 -0.324 0.583 -3.099 123 HB3 ALA 21 2HB ALA 21 0.775 1.905 -2.700 124 H PHE 22 H PHE 22 1.162 2.670 0.207 125 HA PHE 22 HA PHE 22 -1.389 4.107 0.236 126 HB2 PHE 22 1HB PHE 22 0.308 3.886 2.720 127 HB3 PHE 22 2HB PHE 22 -1.319 4.543 2.573 128 HD1 PHE 22 HD2 PHE 22 0.617 1.391 2.261 129 HD2 PHE 22 HD1 PHE 22 -3.169 3.200 2.973 130 HE1 PHE 22 HE2 PHE 22 -0.317 -0.807 2.853 131 HE2 PHE 22 HE1 PHE 22 -4.110 1.005 3.567 132 HZ PHE 22 HZ PHE 22 -2.684 -1.002 3.507 133 H VAL 23 H VAL 23 -1.204 6.369 0.455 134 HA VAL 23 HA VAL 23 1.275 7.427 -0.575 135 HB VAL 23 HB VAL 23 -1.236 8.911 0.214 136 HG11 VAL 23 1HG1 VAL 23 0.726 9.874 -1.812 137 HG12 VAL 23 2HG1 VAL 23 -0.373 10.792 -0.780 138 HG13 VAL 23 3HG1 VAL 23 1.091 10.081 -0.099 139 HG21 VAL 23 3HG2 VAL 23 -2.030 8.679 -1.964 140 HG22 VAL 23 1HG2 VAL 23 -0.454 8.195 -2.589 141 HG23 VAL 23 2HG2 VAL 23 -1.389 7.079 -1.594 142 H LEU 24 H LEU 24 -0.650 7.804 2.383 143 HA LEU 24 HA LEU 24 1.578 9.271 3.608 144 HB2 LEU 24 1HB LEU 24 -1.210 8.896 4.682 145 HB3 LEU 24 2HB LEU 24 0.022 10.010 5.275 146 HG LEU 24 HG LEU 24 -1.352 10.202 2.594 147 HD11 LEU 24 1HD1 LEU 24 -1.811 11.631 5.200 148 HD12 LEU 24 2HD1 LEU 24 -2.968 10.699 4.251 149 HD13 LEU 24 3HD1 LEU 24 -2.376 12.246 3.647 150 HD21 LEU 24 3HD2 LEU 24 0.413 11.471 2.089 151 HD22 LEU 24 1HD2 LEU 24 0.980 11.496 3.758 152 HD23 LEU 24 2HD2 LEU 24 -0.250 12.643 3.228 153 H SER 25 H SER 25 1.818 8.806 6.035 154 HA SER 25 HA SER 25 2.423 6.007 6.306 155 HB2 SER 25 1HB SER 25 3.992 7.638 7.188 156 HB3 SER 25 2HB SER 25 2.745 8.321 8.232 157 HG SER 25 HG SER 25 2.645 6.055 9.095 158 H ALA 26 H ALA 26 0.280 8.307 7.962 159 HA ALA 26 HA ALA 26 -0.806 6.674 9.890 160 HB1 ALA 26 3HB ALA 26 -1.773 8.648 10.245 161 HB2 ALA 26 1HB ALA 26 -1.569 9.136 8.563 162 HB3 ALA 26 2HB ALA 26 -2.968 8.173 9.039 163 H HIS 27 H HIS 27 -1.740 6.947 6.487 164 HA HIS 27 HA HIS 27 -4.000 5.286 6.584 165 HB2 HIS 27 1HB HIS 27 -2.093 5.972 4.350 166 HB3 HIS 27 2HB HIS 27 -3.510 4.956 4.103 167 HD2 HIS 27 HD2 HIS 27 -5.279 7.103 6.216 168 HE1 HIS 27 HE1 HIS 27 -4.805 9.602 2.820 169 HE2 HIS 27 HE2 HIS 27 -6.009 9.271 5.008 170 H LEU 28 H LEU 28 -0.591 4.550 5.954 171 HA LEU 28 HA LEU 28 -0.919 1.825 5.361 172 HB2 LEU 28 1HB LEU 28 1.132 2.839 4.792 173 HB3 LEU 28 2HB LEU 28 1.388 3.419 6.437 174 HG LEU 28 HG LEU 28 1.769 1.097 7.170 175 HD11 LEU 28 1HD1 LEU 28 0.760 -0.417 5.835 176 HD12 LEU 28 2HD1 LEU 28 2.320 -0.396 5.013 177 HD13 LEU 28 3HD1 LEU 28 0.977 0.556 4.379 178 HD21 LEU 28 3HD2 LEU 28 3.610 1.489 4.866 179 HD22 LEU 28 1HD2 LEU 28 3.968 1.085 6.545 180 HD23 LEU 28 2HD2 LEU 28 3.537 2.739 6.109 181 H ASN 29 H ASN 29 -0.112 3.443 8.426 182 HA ASN 29 HA ASN 29 0.105 1.164 10.015 183 HB2 ASN 29 1HB ASN 29 -0.598 4.025 10.596 184 HB3 ASN 29 2HB ASN 29 -0.661 2.819 11.879 185 HD21 ASN 29 1HD2 ASN 29 1.014 4.792 12.296 186 HD22 ASN 29 2HD2 ASN 29 2.656 4.316 12.045 187 H GLN 30 H GLN 30 -2.734 3.235 9.444 188 HA GLN 30 HA GLN 30 -4.570 1.951 11.046 189 HB2 GLN 30 1HB GLN 30 -4.778 3.498 8.503 190 HB3 GLN 30 2HB GLN 30 -6.204 2.648 9.082 191 HG2 GLN 30 1HG GLN 30 -5.554 3.867 11.341 192 HG3 GLN 30 2HG GLN 30 -4.799 4.995 10.216 193 HE21 GLN 30 1HE2 GLN 30 -6.643 6.138 11.582 194 HE22 GLN 30 2HE2 GLN 30 -8.134 6.307 10.725 195 H HIS 31 H HIS 31 -3.497 1.083 7.800 196 HA HIS 31 HA HIS 31 -5.370 -0.957 7.314 197 HB2 HIS 31 1HB HIS 31 -4.145 -0.173 5.451 198 HB3 HIS 31 2HB HIS 31 -2.599 -0.428 6.256 199 HD1 HIS 31 HD1 HIS 31 -5.501 -2.542 4.990 200 HD2 HIS 31 HD2 HIS 31 -1.384 -2.727 5.514 201 HE1 HIS 31 HE1 HIS 31 -4.797 -4.748 4.010 202 H LEU 32 H LEU 32 -2.113 -1.063 8.721 203 HA LEU 32 HA LEU 32 -1.714 -3.746 9.006 204 HB2 LEU 32 1HB LEU 32 -1.121 -1.607 11.045 205 HB3 LEU 32 2HB LEU 32 -0.423 -3.225 11.042 206 HG LEU 32 HG LEU 32 -0.024 -1.204 8.839 207 HD11 LEU 32 1HD1 LEU 32 2.138 -1.949 10.732 208 HD12 LEU 32 2HD1 LEU 32 0.928 -0.784 11.268 209 HD13 LEU 32 3HD1 LEU 32 1.888 -0.457 9.826 210 HD21 LEU 32 3HD2 LEU 32 2.052 -2.974 8.780 211 HD22 LEU 32 1HD2 LEU 32 0.619 -3.054 7.755 212 HD23 LEU 32 2HD2 LEU 32 0.699 -4.012 9.234 213 H ARG 33 H ARG 33 -4.073 -1.799 10.609 214 HA ARG 33 HA ARG 33 -4.637 -3.137 12.924 215 HB2 ARG 33 1HB ARG 33 -6.441 -1.828 10.907 216 HB3 ARG 33 2HB ARG 33 -7.098 -2.572 12.358 217 HG2 ARG 33 1HG ARG 33 -5.642 -1.102 13.718 218 HG3 ARG 33 2HG ARG 33 -5.122 -0.306 12.231 219 HD2 ARG 33 1HD ARG 33 -7.131 0.739 11.926 220 HD3 ARG 33 2HD ARG 33 -8.039 -0.535 12.739 221 HE ARG 33 HE ARG 33 -6.840 1.793 13.948 222 HH11 ARG 33 1HH1 ARG 33 -8.077 -1.420 14.465 223 HH12 ARG 33 2HH1 ARG 33 -8.400 -1.166 16.148 224 HH21 ARG 33 1HH2 ARG 33 -7.261 2.140 16.163 225 HH22 ARG 33 2HH2 ARG 33 -7.936 0.860 17.112 226 H VAL 34 H VAL 34 -4.940 -4.314 9.712 227 HA VAL 34 HA VAL 34 -6.737 -6.480 10.444 228 HB VAL 34 HB VAL 34 -6.711 -7.122 8.144 229 HG11 VAL 34 1HG1 VAL 34 -6.645 -4.110 8.172 230 HG12 VAL 34 2HG1 VAL 34 -7.559 -5.158 7.085 231 HG13 VAL 34 3HG1 VAL 34 -7.987 -5.069 8.794 232 HG21 VAL 34 3HG2 VAL 34 -4.323 -6.940 7.722 233 HG22 VAL 34 1HG2 VAL 34 -5.233 -6.063 6.492 234 HG23 VAL 34 2HG2 VAL 34 -4.427 -5.181 7.789 235 H HIS 35 H HIS 35 -3.336 -5.920 9.886 236 HA HIS 35 HA HIS 35 -2.772 -8.786 10.135 237 HB2 HIS 35 1HB HIS 35 -0.823 -6.565 9.504 238 HB3 HIS 35 2HB HIS 35 -0.561 -8.296 9.322 239 HD1 HIS 35 HD1 HIS 35 -2.912 -9.202 7.720 240 HD2 HIS 35 HD2 HIS 35 -0.985 -5.594 6.991 241 HE1 HIS 35 HE1 HIS 35 -3.455 -8.620 5.335 242 H THR 36 H THR 36 -3.647 -7.063 12.366 243 HA THR 36 HA THR 36 -1.312 -7.453 14.121 244 HB THR 36 HB THR 36 -1.827 -5.029 13.703 245 HG1 THR 36 HG1 THR 36 -1.076 -6.160 15.839 246 HG21 THR 36 3HG2 THR 36 -4.371 -5.774 15.141 247 HG22 THR 36 1HG2 THR 36 -4.214 -5.060 13.537 248 HG23 THR 36 2HG2 THR 36 -3.794 -4.117 14.966 249 H GLN 37 H GLN 37 -4.698 -7.866 13.588 250 HA GLN 37 HA GLN 37 -5.214 -8.733 16.313 251 HB2 GLN 37 1HB GLN 37 -7.523 -9.076 15.533 252 HB3 GLN 37 2HB GLN 37 -6.943 -7.456 15.170 253 HG2 GLN 37 1HG GLN 37 -7.925 -7.953 13.189 254 HG3 GLN 37 2HG GLN 37 -6.307 -8.576 12.870 255 HE21 GLN 37 1HE2 GLN 37 -6.288 -10.484 11.947 256 HE22 GLN 37 2HE2 GLN 37 -7.466 -11.731 12.146 257 H GLU 38 H GLU 38 -3.254 -10.261 15.069 258 HA GLU 38 HA GLU 38 -4.644 -12.840 14.777 259 HB2 GLU 38 1HB GLU 38 -3.736 -12.050 12.608 260 HB3 GLU 38 2HB GLU 38 -2.131 -12.001 13.322 261 HG2 GLU 38 1HG GLU 38 -2.472 -14.477 13.831 262 HG3 GLU 38 2HG GLU 38 -3.835 -14.390 12.716 263 H THR 39 H THR 39 -4.332 -13.492 16.877 264 HA THR 39 HA THR 39 -2.120 -13.179 18.480 265 HB THR 39 HB THR 39 -4.259 -14.144 19.257 266 HG1 THR 39 HG1 THR 39 -2.104 -14.506 20.318 267 HG21 THR 39 3HG2 THR 39 -3.337 -16.783 18.155 268 HG22 THR 39 1HG2 THR 39 -4.408 -15.722 17.240 269 HG23 THR 39 2HG2 THR 39 -4.918 -16.352 18.807 270 H LEU 40 H LEU 40 -0.086 -13.867 18.406 271 HA LEU 40 HA LEU 40 0.975 -15.359 16.307 272 HB2 LEU 40 1HB LEU 40 2.099 -14.947 19.073 273 HB3 LEU 40 2HB LEU 40 3.009 -15.521 17.678 274 HG LEU 40 HG LEU 40 2.152 -13.210 16.668 275 HD11 LEU 40 1HD1 LEU 40 1.342 -13.027 19.355 276 HD12 LEU 40 2HD1 LEU 40 1.323 -11.763 18.126 277 HD13 LEU 40 3HD1 LEU 40 2.731 -11.956 19.170 278 HD21 LEU 40 3HD2 LEU 40 4.413 -12.826 18.507 279 HD22 LEU 40 1HD2 LEU 40 4.321 -12.625 16.757 280 HD23 LEU 40 2HD2 LEU 40 4.534 -14.233 17.449 281 H SER 41 H SER 41 2.330 -17.410 16.697 282 HA SER 41 HA SER 41 0.514 -19.480 17.497 283 HB2 SER 41 1HB SER 41 2.176 -21.019 16.668 284 HB3 SER 41 2HB SER 41 2.082 -19.662 15.546 285 HG SER 41 HG SER 41 4.219 -20.568 16.762 286 H GLY 42 H GLY 42 0.559 -20.762 19.279 287 HA2 GLY 42 1HA GLY 42 2.099 -19.809 21.534 288 HA3 GLY 42 2HA GLY 42 0.881 -21.075 21.559 289 HA PRO 43 HA PRO 43 3.934 -24.211 21.662 290 HB2 PRO 43 1HB PRO 43 3.022 -26.070 19.906 291 HB3 PRO 43 2HB PRO 43 2.256 -25.769 21.471 292 HG2 PRO 43 1HG PRO 43 1.470 -24.782 18.756 293 HG3 PRO 43 2HG PRO 43 0.444 -25.413 20.057 294 HD2 PRO 43 1HD PRO 43 0.719 -22.763 19.573 295 HD3 PRO 43 2HD PRO 43 0.452 -23.413 21.203 296 H SER 44 H SER 44 5.794 -23.264 20.842 297 HA SER 44 HA SER 44 6.827 -24.323 18.440 298 HB2 SER 44 1HB SER 44 7.028 -22.289 17.101 299 HB3 SER 44 2HB SER 44 5.329 -22.635 17.424 300 HG SER 44 HG SER 44 5.210 -20.937 18.736 301 H SER 45 H SER 45 8.858 -24.652 19.023 302 HA SER 45 HA SER 45 10.147 -23.344 21.145 303 HB2 SER 45 1HB SER 45 12.182 -24.498 20.376 304 HB3 SER 45 2HB SER 45 10.794 -25.586 20.380 305 HG SER 45 HG SER 45 11.495 -25.946 18.410 306 H GLY 46 H GLY 46 12.238 -22.145 20.965 307 HA2 GLY 46 1HA GLY 46 13.533 -20.839 19.162 308 HA3 GLY 46 2HA GLY 46 11.972 -20.084 18.879 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -5.156 -14.937 -27.985 2 HA2 GLY 1 1HA GLY 1 -2.823 -13.575 -27.889 3 HA3 GLY 1 2HA GLY 1 -3.867 -12.472 -28.773 4 H SER 2 H SER 2 -3.290 -11.120 -26.843 5 HA SER 2 HA SER 2 -5.510 -11.029 -25.069 6 HB2 SER 2 1HB SER 2 -3.862 -12.852 -24.137 7 HB3 SER 2 2HB SER 2 -2.937 -11.453 -23.592 8 HG SER 2 HG SER 2 -4.536 -10.893 -22.249 9 H SER 3 H SER 3 -5.873 -8.932 -24.865 10 HA SER 3 HA SER 3 -3.564 -7.111 -24.667 11 HB2 SER 3 1HB SER 3 -6.065 -6.893 -26.306 12 HB3 SER 3 2HB SER 3 -5.264 -5.427 -25.740 13 HG SER 3 HG SER 3 -3.894 -5.696 -27.295 14 H GLY 4 H GLY 4 -4.015 -5.071 -23.543 15 HA2 GLY 4 1HA GLY 4 -6.283 -4.448 -22.100 16 HA3 GLY 4 2HA GLY 4 -5.373 -5.552 -21.080 17 H SER 5 H SER 5 -6.042 -2.629 -20.863 18 HA SER 5 HA SER 5 -3.450 -1.339 -21.028 19 HB2 SER 5 1HB SER 5 -6.161 -0.363 -20.109 20 HB3 SER 5 2HB SER 5 -4.708 0.637 -20.091 21 HG SER 5 HG SER 5 -4.766 0.788 -22.212 22 H SER 6 H SER 6 -2.976 0.132 -18.994 23 HA SER 6 HA SER 6 -3.512 -1.166 -16.466 24 HB2 SER 6 1HB SER 6 -0.725 -1.120 -17.642 25 HB3 SER 6 2HB SER 6 -1.074 -1.455 -15.946 26 HG SER 6 HG SER 6 -1.506 -3.421 -16.507 27 H GLY 7 H GLY 7 -2.623 0.043 -14.633 28 HA2 GLY 7 1HA GLY 7 -1.501 2.656 -15.117 29 HA3 GLY 7 2HA GLY 7 -3.184 2.699 -14.615 30 H THR 8 H THR 8 0.086 1.977 -13.654 31 HA THR 8 HA THR 8 -0.814 1.607 -10.876 32 HB THR 8 HB THR 8 0.545 -0.242 -11.752 33 HG1 THR 8 HG1 THR 8 1.750 -0.372 -9.939 34 HG21 THR 8 3HG2 THR 8 2.100 0.352 -13.268 35 HG22 THR 8 1HG2 THR 8 3.126 0.631 -11.862 36 HG23 THR 8 2HG2 THR 8 2.265 1.978 -12.607 37 H GLY 9 H GLY 9 0.237 2.733 -9.187 38 HA2 GLY 9 1HA GLY 9 1.678 5.153 -10.085 39 HA3 GLY 9 2HA GLY 9 0.510 5.166 -8.773 40 H GLU 10 H GLU 10 3.125 6.124 -8.503 41 HA GLU 10 HA GLU 10 4.580 4.053 -7.048 42 HB2 GLU 10 1HB GLU 10 5.305 6.878 -7.830 43 HB3 GLU 10 2HB GLU 10 6.335 5.853 -6.840 44 HG2 GLU 10 1HG GLU 10 5.438 5.231 -9.645 45 HG3 GLU 10 2HG GLU 10 7.016 5.871 -9.189 46 H LYS 11 H LYS 11 4.297 3.793 -4.945 47 HA LYS 11 HA LYS 11 3.365 6.091 -3.351 48 HB2 LYS 11 1HB LYS 11 2.599 3.221 -3.357 49 HB3 LYS 11 2HB LYS 11 2.677 4.019 -1.792 50 HG2 LYS 11 1HG LYS 11 0.433 4.135 -2.610 51 HG3 LYS 11 2HG LYS 11 1.133 5.755 -2.651 52 HD2 LYS 11 1HD LYS 11 1.456 5.641 -5.008 53 HD3 LYS 11 2HD LYS 11 1.069 3.919 -5.039 54 HE2 LYS 11 1HE LYS 11 -1.214 4.681 -4.064 55 HE3 LYS 11 2HE LYS 11 -0.752 6.268 -4.677 56 HZ1 LYS 11 3HZ LYS 11 -0.402 4.129 -6.576 57 HZ2 LYS 11 1HZ LYS 11 -1.125 5.645 -6.775 58 HZ3 LYS 11 2HZ LYS 11 -2.011 4.367 -6.110 59 HA PRO 12 HA PRO 12 7.198 5.769 -1.173 60 HB2 PRO 12 1HB PRO 12 6.538 7.341 0.940 61 HB3 PRO 12 2HB PRO 12 6.908 7.990 -0.662 62 HG2 PRO 12 1HG PRO 12 4.245 7.485 0.609 63 HG3 PRO 12 2HG PRO 12 4.783 8.880 -0.344 64 HD2 PRO 12 1HD PRO 12 3.265 6.898 -1.392 65 HD3 PRO 12 2HD PRO 12 4.462 7.792 -2.351 66 H TYR 13 H TYR 13 4.105 4.950 0.224 67 HA TYR 13 HA TYR 13 5.480 3.310 2.251 68 HB2 TYR 13 1HB TYR 13 2.650 4.361 2.395 69 HB3 TYR 13 2HB TYR 13 3.535 3.524 3.665 70 HD1 TYR 13 HD1 TYR 13 5.419 4.665 4.813 71 HD2 TYR 13 HD2 TYR 13 2.925 6.702 2.033 72 HE1 TYR 13 HE1 TYR 13 6.222 6.822 5.682 73 HE2 TYR 13 HE2 TYR 13 3.721 8.864 2.893 74 HH TYR 13 HH TYR 13 6.424 9.165 4.890 75 H SER 14 H SER 14 4.994 1.173 2.407 76 HA SER 14 HA SER 14 2.810 0.089 0.794 77 HB2 SER 14 1HB SER 14 4.239 -1.583 -0.252 78 HB3 SER 14 2HB SER 14 4.845 0.030 -0.630 79 HG SER 14 HG SER 14 6.524 -0.267 0.721 80 H CYS 15 H CYS 15 2.103 -1.984 1.441 81 HA CYS 15 HA CYS 15 2.682 -2.564 4.233 82 HB2 CYS 15 1HB CYS 15 0.363 -2.515 3.755 83 HB3 CYS 15 2HB CYS 15 0.560 -3.500 2.310 84 H ASN 16 H ASN 16 3.950 -4.167 4.899 85 HA ASN 16 HA ASN 16 4.906 -6.100 2.906 86 HB2 ASN 16 1HB ASN 16 6.887 -6.303 4.140 87 HB3 ASN 16 2HB ASN 16 6.494 -4.592 4.282 88 HD21 ASN 16 1HD2 ASN 16 8.168 -5.989 6.041 89 HD22 ASN 16 2HD2 ASN 16 7.420 -6.010 7.598 90 H VAL 17 H VAL 17 2.374 -6.589 3.863 91 HA VAL 17 HA VAL 17 2.824 -9.009 5.471 92 HB VAL 17 HB VAL 17 0.505 -7.105 5.828 93 HG11 VAL 17 1HG1 VAL 17 0.064 -8.642 7.816 94 HG12 VAL 17 2HG1 VAL 17 -0.337 -9.263 6.213 95 HG13 VAL 17 3HG1 VAL 17 1.142 -9.788 7.019 96 HG21 VAL 17 3HG2 VAL 17 1.427 -6.506 7.919 97 HG22 VAL 17 1HG2 VAL 17 2.630 -7.794 7.842 98 HG23 VAL 17 2HG2 VAL 17 2.756 -6.404 6.763 99 H CYS 18 H CYS 18 0.420 -7.283 3.485 100 HA CYS 18 HA CYS 18 -0.354 -9.883 2.333 101 HB2 CYS 18 1HB CYS 18 -2.578 -9.028 1.996 102 HB3 CYS 18 2HB CYS 18 -2.132 -8.747 3.676 103 H GLY 19 H GLY 19 0.147 -6.442 1.661 104 HA2 GLY 19 1HA GLY 19 1.555 -6.074 -0.385 105 HA3 GLY 19 2HA GLY 19 0.415 -7.135 -1.199 106 H LYS 20 H LYS 20 0.755 -4.017 0.415 107 HA LYS 20 HA LYS 20 -1.307 -2.945 -1.364 108 HB2 LYS 20 1HB LYS 20 -2.282 -3.537 0.914 109 HB3 LYS 20 2HB LYS 20 -1.267 -2.260 1.573 110 HG2 LYS 20 1HG LYS 20 -2.501 -0.592 0.617 111 HG3 LYS 20 2HG LYS 20 -3.054 -1.612 -0.713 112 HD2 LYS 20 1HD LYS 20 -3.923 -2.314 2.043 113 HD3 LYS 20 2HD LYS 20 -4.661 -0.907 1.274 114 HE2 LYS 20 1HE LYS 20 -5.672 -2.163 -0.361 115 HE3 LYS 20 2HE LYS 20 -4.468 -3.448 -0.269 116 HZ1 LYS 20 3HZ LYS 20 -6.541 -2.902 1.788 117 HZ2 LYS 20 1HZ LYS 20 -5.417 -4.167 1.815 118 HZ3 LYS 20 2HZ LYS 20 -6.620 -4.131 0.627 119 H ALA 21 H ALA 21 -1.307 -0.535 -1.373 120 HA ALA 21 HA ALA 21 1.291 0.610 -0.621 121 HB1 ALA 21 3HB ALA 21 0.018 0.674 -3.341 122 HB2 ALA 21 1HB ALA 21 1.229 1.853 -2.838 123 HB3 ALA 21 2HB ALA 21 1.638 0.138 -2.896 124 H PHE 22 H PHE 22 1.133 2.531 0.351 125 HA PHE 22 HA PHE 22 -1.395 4.020 0.079 126 HB2 PHE 22 1HB PHE 22 0.338 3.781 2.548 127 HB3 PHE 22 2HB PHE 22 -1.134 4.737 2.416 128 HD1 PHE 22 HD2 PHE 22 0.245 1.351 2.628 129 HD2 PHE 22 HD1 PHE 22 -3.300 3.702 2.457 130 HE1 PHE 22 HE2 PHE 22 -1.080 -0.601 3.325 131 HE2 PHE 22 HE1 PHE 22 -4.630 1.753 3.155 132 HZ PHE 22 HZ PHE 22 -3.521 -0.402 3.588 133 H VAL 23 H VAL 23 -1.092 6.369 0.860 134 HA VAL 23 HA VAL 23 1.274 7.427 -0.514 135 HB VAL 23 HB VAL 23 -1.263 8.859 0.290 136 HG11 VAL 23 1HG1 VAL 23 1.290 9.835 -0.500 137 HG12 VAL 23 2HG1 VAL 23 0.137 10.169 -1.794 138 HG13 VAL 23 3HG1 VAL 23 -0.182 10.744 -0.157 139 HG21 VAL 23 3HG2 VAL 23 -1.458 7.060 -1.486 140 HG22 VAL 23 1HG2 VAL 23 -1.988 8.677 -1.949 141 HG23 VAL 23 2HG2 VAL 23 -0.422 8.073 -2.490 142 H LEU 24 H LEU 24 -0.330 7.344 2.577 143 HA LEU 24 HA LEU 24 1.852 8.970 3.706 144 HB2 LEU 24 1HB LEU 24 -0.901 8.746 4.889 145 HB3 LEU 24 2HB LEU 24 0.378 9.877 5.322 146 HG LEU 24 HG LEU 24 -0.997 9.916 2.645 147 HD11 LEU 24 1HD1 LEU 24 -2.720 10.264 4.268 148 HD12 LEU 24 2HD1 LEU 24 -2.296 11.826 3.569 149 HD13 LEU 24 3HD1 LEU 24 -1.709 11.390 5.174 150 HD21 LEU 24 3HD2 LEU 24 1.031 11.086 2.523 151 HD22 LEU 24 1HD2 LEU 24 0.832 11.773 4.136 152 HD23 LEU 24 2HD2 LEU 24 -0.187 12.330 2.808 153 H SER 25 H SER 25 2.008 8.543 6.178 154 HA SER 25 HA SER 25 2.550 5.735 6.480 155 HB2 SER 25 1HB SER 25 2.775 7.890 8.590 156 HB3 SER 25 2HB SER 25 3.597 6.330 8.560 157 HG SER 25 HG SER 25 5.053 7.134 7.272 158 H ALA 26 H ALA 26 0.429 8.082 8.106 159 HA ALA 26 HA ALA 26 -0.749 6.478 9.994 160 HB1 ALA 26 3HB ALA 26 -1.432 8.947 8.636 161 HB2 ALA 26 1HB ALA 26 -2.861 8.010 9.073 162 HB3 ALA 26 2HB ALA 26 -1.694 8.469 10.313 163 H HIS 27 H HIS 27 -1.546 6.720 6.558 164 HA HIS 27 HA HIS 27 -3.840 5.074 6.629 165 HB2 HIS 27 1HB HIS 27 -1.937 5.842 4.421 166 HB3 HIS 27 2HB HIS 27 -3.315 4.782 4.139 167 HD2 HIS 27 HD2 HIS 27 -5.197 6.810 6.260 168 HE1 HIS 27 HE1 HIS 27 -4.750 9.413 2.940 169 HE2 HIS 27 HE2 HIS 27 -5.983 8.980 5.093 170 H LEU 28 H LEU 28 -0.414 4.383 6.140 171 HA LEU 28 HA LEU 28 -0.731 1.653 5.459 172 HB2 LEU 28 1HB LEU 28 1.305 2.729 4.893 173 HB3 LEU 28 2HB LEU 28 1.580 3.230 6.560 174 HG LEU 28 HG LEU 28 1.939 0.854 7.169 175 HD11 LEU 28 1HD1 LEU 28 1.112 0.491 4.383 176 HD12 LEU 28 2HD1 LEU 28 1.045 -0.626 5.745 177 HD13 LEU 28 3HD1 LEU 28 2.548 -0.422 4.846 178 HD21 LEU 28 3HD2 LEU 28 3.870 2.192 6.770 179 HD22 LEU 28 1HD2 LEU 28 3.681 2.051 5.023 180 HD23 LEU 28 2HD2 LEU 28 4.132 0.638 5.977 181 H ASN 29 H ASN 29 -0.241 3.339 8.522 182 HA ASN 29 HA ASN 29 0.105 1.021 10.111 183 HB2 ASN 29 1HB ASN 29 -0.934 3.734 10.958 184 HB3 ASN 29 2HB ASN 29 -0.266 2.495 12.017 185 HD21 ASN 29 1HD2 ASN 29 0.800 4.944 12.134 186 HD22 ASN 29 2HD2 ASN 29 2.368 4.972 11.409 187 H GLN 30 H GLN 30 -2.730 3.085 9.507 188 HA GLN 30 HA GLN 30 -4.557 1.708 11.093 189 HB2 GLN 30 1HB GLN 30 -5.014 3.220 8.517 190 HB3 GLN 30 2HB GLN 30 -6.295 2.691 9.599 191 HG2 GLN 30 1HG GLN 30 -4.079 4.392 10.644 192 HG3 GLN 30 2HG GLN 30 -5.396 5.122 9.727 193 HE21 GLN 30 1HE2 GLN 30 -5.176 6.028 12.163 194 HE22 GLN 30 2HE2 GLN 30 -6.369 5.368 13.225 195 H HIS 31 H HIS 31 -3.076 0.781 8.154 196 HA HIS 31 HA HIS 31 -5.127 -1.093 7.368 197 HB2 HIS 31 1HB HIS 31 -3.836 -0.093 5.606 198 HB3 HIS 31 2HB HIS 31 -2.324 -0.591 6.358 199 HD1 HIS 31 HD1 HIS 31 -5.427 -2.287 4.941 200 HD2 HIS 31 HD2 HIS 31 -1.324 -2.852 5.273 201 HE1 HIS 31 HE1 HIS 31 -4.936 -4.407 3.681 202 H LEU 32 H LEU 32 -1.927 -1.230 8.874 203 HA LEU 32 HA LEU 32 -1.492 -3.941 8.951 204 HB2 LEU 32 1HB LEU 32 -0.905 -1.894 11.083 205 HB3 LEU 32 2HB LEU 32 -0.236 -3.525 11.054 206 HG LEU 32 HG LEU 32 0.234 -1.486 8.884 207 HD11 LEU 32 1HD1 LEU 32 1.770 -2.085 11.390 208 HD12 LEU 32 2HD1 LEU 32 1.254 -0.523 10.754 209 HD13 LEU 32 3HD1 LEU 32 2.550 -1.415 9.957 210 HD21 LEU 32 3HD2 LEU 32 2.053 -2.983 8.252 211 HD22 LEU 32 1HD2 LEU 32 0.502 -3.821 8.211 212 HD23 LEU 32 2HD2 LEU 32 1.611 -4.085 9.557 213 H ARG 33 H ARG 33 -3.689 -2.031 10.896 214 HA ARG 33 HA ARG 33 -4.252 -3.800 12.954 215 HB2 ARG 33 1HB ARG 33 -5.941 -1.753 11.537 216 HB3 ARG 33 2HB ARG 33 -6.587 -2.714 12.860 217 HG2 ARG 33 1HG ARG 33 -5.769 -0.493 13.560 218 HG3 ARG 33 2HG ARG 33 -4.955 -1.828 14.379 219 HD2 ARG 33 1HD ARG 33 -3.073 -1.624 12.823 220 HD3 ARG 33 2HD ARG 33 -3.888 -0.284 12.018 221 HE ARG 33 HE ARG 33 -2.364 -0.154 14.409 222 HH11 ARG 33 1HH1 ARG 33 -5.164 1.188 12.835 223 HH12 ARG 33 2HH1 ARG 33 -5.079 2.697 13.683 224 HH21 ARG 33 1HH2 ARG 33 -2.241 1.828 15.532 225 HH22 ARG 33 2HH2 ARG 33 -3.416 3.060 15.216 226 H VAL 34 H VAL 34 -5.284 -3.845 9.618 227 HA VAL 34 HA VAL 34 -7.395 -5.712 9.893 228 HB VAL 34 HB VAL 34 -7.399 -5.898 7.539 229 HG11 VAL 34 1HG1 VAL 34 -6.474 -3.282 7.123 230 HG12 VAL 34 2HG1 VAL 34 -8.129 -3.802 7.446 231 HG13 VAL 34 3HG1 VAL 34 -7.075 -3.330 8.780 232 HG21 VAL 34 3HG2 VAL 34 -5.386 -6.439 6.680 233 HG22 VAL 34 1HG2 VAL 34 -5.261 -4.702 6.401 234 HG23 VAL 34 2HG2 VAL 34 -4.507 -5.423 7.823 235 H HIS 35 H HIS 35 -3.985 -6.036 9.954 236 HA HIS 35 HA HIS 35 -4.084 -8.891 9.336 237 HB2 HIS 35 1HB HIS 35 -1.700 -7.134 9.960 238 HB3 HIS 35 2HB HIS 35 -1.641 -8.800 9.390 239 HD1 HIS 35 HD1 HIS 35 -3.681 -8.624 7.091 240 HD2 HIS 35 HD2 HIS 35 -0.708 -5.810 7.798 241 HE1 HIS 35 HE1 HIS 35 -3.301 -7.479 4.884 242 H THR 36 H THR 36 -2.733 -6.817 11.907 243 HA THR 36 HA THR 36 -1.961 -8.590 13.769 244 HB THR 36 HB THR 36 -2.081 -6.050 13.999 245 HG1 THR 36 HG1 THR 36 -2.387 -7.979 15.988 246 HG21 THR 36 3HG2 THR 36 -4.421 -5.664 13.710 247 HG22 THR 36 1HG2 THR 36 -4.027 -5.268 15.382 248 HG23 THR 36 2HG2 THR 36 -4.827 -6.793 15.002 249 H GLN 37 H GLN 37 -5.244 -8.022 12.771 250 HA GLN 37 HA GLN 37 -6.516 -9.303 14.967 251 HB2 GLN 37 1HB GLN 37 -7.582 -7.702 13.311 252 HB3 GLN 37 2HB GLN 37 -7.622 -9.043 12.173 253 HG2 GLN 37 1HG GLN 37 -9.116 -10.272 13.530 254 HG3 GLN 37 2HG GLN 37 -8.890 -9.176 14.891 255 HE21 GLN 37 1HE2 GLN 37 -10.991 -8.579 15.129 256 HE22 GLN 37 2HE2 GLN 37 -11.868 -7.667 13.953 257 H GLU 38 H GLU 38 -5.199 -11.217 15.169 258 HA GLU 38 HA GLU 38 -5.022 -13.173 13.133 259 HB2 GLU 38 1HB GLU 38 -3.527 -12.997 15.147 260 HB3 GLU 38 2HB GLU 38 -4.851 -13.636 16.112 261 HG2 GLU 38 1HG GLU 38 -4.674 -15.739 15.220 262 HG3 GLU 38 2HG GLU 38 -3.944 -15.161 13.724 263 H THR 39 H THR 39 -6.256 -14.934 12.668 264 HA THR 39 HA THR 39 -8.811 -15.169 14.121 265 HB THR 39 HB THR 39 -9.197 -14.367 11.861 266 HG1 THR 39 HG1 THR 39 -9.860 -17.134 12.071 267 HG21 THR 39 3HG2 THR 39 -7.079 -15.316 10.908 268 HG22 THR 39 1HG2 THR 39 -8.507 -15.555 9.901 269 HG23 THR 39 2HG2 THR 39 -7.874 -16.889 10.866 270 H LEU 40 H LEU 40 -9.086 -17.010 15.184 271 HA LEU 40 HA LEU 40 -7.283 -19.081 15.339 272 HB2 LEU 40 1HB LEU 40 -9.464 -18.488 16.700 273 HB3 LEU 40 2HB LEU 40 -10.177 -19.708 15.646 274 HG LEU 40 HG LEU 40 -7.745 -20.267 17.324 275 HD11 LEU 40 1HD1 LEU 40 -10.426 -21.171 18.209 276 HD12 LEU 40 2HD1 LEU 40 -9.985 -19.492 18.518 277 HD13 LEU 40 3HD1 LEU 40 -8.983 -20.797 19.153 278 HD21 LEU 40 3HD2 LEU 40 -7.830 -22.099 16.039 279 HD22 LEU 40 1HD2 LEU 40 -9.478 -21.765 15.504 280 HD23 LEU 40 2HD2 LEU 40 -9.198 -22.563 17.052 281 H SER 41 H SER 41 -6.531 -19.957 13.469 282 HA SER 41 HA SER 41 -8.325 -21.763 12.071 283 HB2 SER 41 1HB SER 41 -8.635 -19.886 10.654 284 HB3 SER 41 2HB SER 41 -6.926 -19.455 10.721 285 HG SER 41 HG SER 41 -7.309 -20.470 8.775 286 H GLY 42 H GLY 42 -7.280 -23.490 11.091 287 HA2 GLY 42 1HA GLY 42 -5.389 -24.684 10.312 288 HA3 GLY 42 2HA GLY 42 -4.351 -23.525 11.129 289 HA PRO 43 HA PRO 43 -5.356 -27.469 13.709 290 HB2 PRO 43 1HB PRO 43 -3.398 -29.159 12.883 291 HB3 PRO 43 2HB PRO 43 -5.010 -29.129 12.158 292 HG2 PRO 43 1HG PRO 43 -2.472 -27.873 11.187 293 HG3 PRO 43 2HG PRO 43 -3.708 -28.752 10.268 294 HD2 PRO 43 1HD PRO 43 -3.569 -26.048 10.305 295 HD3 PRO 43 2HD PRO 43 -5.106 -26.923 10.157 296 H SER 44 H SER 44 -2.080 -26.623 12.564 297 HA SER 44 HA SER 44 -1.298 -26.244 15.379 298 HB2 SER 44 1HB SER 44 -0.358 -28.337 14.261 299 HB3 SER 44 2HB SER 44 0.579 -27.248 13.238 300 HG SER 44 HG SER 44 1.514 -26.394 15.143 301 H SER 45 H SER 45 0.481 -24.742 15.711 302 HA SER 45 HA SER 45 0.339 -22.529 13.802 303 HB2 SER 45 1HB SER 45 1.111 -22.724 16.703 304 HB3 SER 45 2HB SER 45 1.543 -21.309 15.744 305 HG SER 45 HG SER 45 -0.419 -20.876 16.657 306 H GLY 46 H GLY 46 2.794 -24.266 15.720 307 HA2 GLY 46 1HA GLY 46 4.648 -24.980 14.002 308 HA3 GLY 46 2HA GLY 46 4.876 -23.239 13.936 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -11.120 -4.269 -21.846 2 HA2 GLY 1 1HA GLY 1 -12.050 -2.609 -23.995 3 HA3 GLY 1 2HA GLY 1 -13.013 -2.419 -22.538 4 H SER 2 H SER 2 -11.906 -1.750 -20.574 5 HA SER 2 HA SER 2 -9.414 -0.276 -21.114 6 HB2 SER 2 1HB SER 2 -10.247 1.531 -19.631 7 HB3 SER 2 2HB SER 2 -11.253 1.324 -21.065 8 HG SER 2 HG SER 2 -12.060 -0.220 -18.962 9 H SER 3 H SER 3 -7.848 -0.406 -19.593 10 HA SER 3 HA SER 3 -7.723 -2.498 -17.816 11 HB2 SER 3 1HB SER 3 -6.296 0.151 -17.484 12 HB3 SER 3 2HB SER 3 -5.789 -1.407 -16.832 13 HG SER 3 HG SER 3 -5.700 -2.109 -19.089 14 H GLY 4 H GLY 4 -8.625 0.870 -17.117 15 HA2 GLY 4 1HA GLY 4 -9.937 1.742 -15.440 16 HA3 GLY 4 2HA GLY 4 -10.449 0.100 -15.075 17 H SER 5 H SER 5 -7.751 2.362 -14.626 18 HA SER 5 HA SER 5 -6.924 0.874 -12.244 19 HB2 SER 5 1HB SER 5 -4.863 2.087 -12.351 20 HB3 SER 5 2HB SER 5 -5.243 1.586 -13.998 21 HG SER 5 HG SER 5 -4.576 3.838 -13.707 22 H SER 6 H SER 6 -6.200 2.256 -10.356 23 HA SER 6 HA SER 6 -8.031 4.529 -9.966 24 HB2 SER 6 1HB SER 6 -7.366 2.406 -7.912 25 HB3 SER 6 2HB SER 6 -8.414 3.801 -7.659 26 HG SER 6 HG SER 6 -9.975 2.813 -8.679 27 H GLY 7 H GLY 7 -6.634 6.202 -10.055 28 HA2 GLY 7 1HA GLY 7 -5.127 7.699 -9.127 29 HA3 GLY 7 2HA GLY 7 -4.767 6.513 -7.882 30 H THR 8 H THR 8 -3.046 8.251 -9.632 31 HA THR 8 HA THR 8 -1.329 6.093 -10.674 32 HB THR 8 HB THR 8 -1.538 8.867 -11.858 33 HG1 THR 8 HG1 THR 8 -3.406 7.832 -12.429 34 HG21 THR 8 3HG2 THR 8 -0.159 8.019 -13.626 35 HG22 THR 8 1HG2 THR 8 -0.222 6.387 -12.964 36 HG23 THR 8 2HG2 THR 8 0.642 7.658 -12.098 37 H GLY 9 H GLY 9 0.921 6.382 -10.464 38 HA2 GLY 9 1HA GLY 9 2.797 7.803 -9.827 39 HA3 GLY 9 2HA GLY 9 1.730 8.582 -8.667 40 H GLU 10 H GLU 10 4.337 6.829 -8.674 41 HA GLU 10 HA GLU 10 3.915 4.494 -7.253 42 HB2 GLU 10 1HB GLU 10 6.107 5.662 -8.173 43 HB3 GLU 10 2HB GLU 10 6.237 6.215 -6.509 44 HG2 GLU 10 1HG GLU 10 7.494 4.137 -6.984 45 HG3 GLU 10 2HG GLU 10 6.305 3.975 -5.693 46 H LYS 11 H LYS 11 4.470 4.098 -4.929 47 HA LYS 11 HA LYS 11 3.444 6.254 -3.204 48 HB2 LYS 11 1HB LYS 11 2.609 3.402 -3.411 49 HB3 LYS 11 2HB LYS 11 2.631 4.134 -1.812 50 HG2 LYS 11 1HG LYS 11 0.473 4.536 -2.463 51 HG3 LYS 11 2HG LYS 11 1.265 6.029 -2.970 52 HD2 LYS 11 1HD LYS 11 1.432 5.202 -5.244 53 HD3 LYS 11 2HD LYS 11 0.737 3.654 -4.757 54 HE2 LYS 11 1HE LYS 11 -1.108 4.722 -5.621 55 HE3 LYS 11 2HE LYS 11 -1.240 5.139 -3.914 56 HZ1 LYS 11 3HZ LYS 11 -1.431 6.954 -5.774 57 HZ2 LYS 11 1HZ LYS 11 0.258 6.945 -5.666 58 HZ3 LYS 11 2HZ LYS 11 -0.675 7.296 -4.300 59 HA PRO 12 HA PRO 12 7.199 5.640 -0.962 60 HB2 PRO 12 1HB PRO 12 6.508 6.987 1.292 61 HB3 PRO 12 2HB PRO 12 6.922 7.798 -0.223 62 HG2 PRO 12 1HG PRO 12 4.224 7.196 0.928 63 HG3 PRO 12 2HG PRO 12 4.800 8.678 0.141 64 HD2 PRO 12 1HD PRO 12 3.284 6.840 -1.145 65 HD3 PRO 12 2HD PRO 12 4.513 7.814 -1.976 66 H TYR 13 H TYR 13 4.065 4.904 0.483 67 HA TYR 13 HA TYR 13 5.369 3.011 2.315 68 HB2 TYR 13 1HB TYR 13 2.519 4.014 2.404 69 HB3 TYR 13 2HB TYR 13 3.351 3.078 3.641 70 HD1 TYR 13 HD1 TYR 13 5.094 4.130 5.029 71 HD2 TYR 13 HD2 TYR 13 2.841 6.384 2.210 72 HE1 TYR 13 HE1 TYR 13 5.820 6.211 6.121 73 HE2 TYR 13 HE2 TYR 13 3.562 8.471 3.293 74 HH TYR 13 HH TYR 13 4.484 8.897 6.032 75 H SER 14 H SER 14 4.827 0.862 2.335 76 HA SER 14 HA SER 14 2.706 -0.149 0.648 77 HB2 SER 14 1HB SER 14 5.575 -0.933 0.081 78 HB3 SER 14 2HB SER 14 4.140 -1.562 -0.728 79 HG SER 14 HG SER 14 5.387 0.925 -0.977 80 H CYS 15 H CYS 15 1.793 -1.816 1.643 81 HA CYS 15 HA CYS 15 2.903 -2.901 4.032 82 HB2 CYS 15 1HB CYS 15 0.514 -2.690 3.859 83 HB3 CYS 15 2HB CYS 15 0.482 -3.669 2.396 84 H ASN 16 H ASN 16 3.689 -4.957 4.444 85 HA ASN 16 HA ASN 16 4.549 -6.455 2.060 86 HB2 ASN 16 1HB ASN 16 5.830 -6.785 4.752 87 HB3 ASN 16 2HB ASN 16 6.520 -7.048 3.153 88 HD21 ASN 16 1HD2 ASN 16 5.837 -4.758 5.636 89 HD22 ASN 16 2HD2 ASN 16 6.699 -3.430 4.944 90 H VAL 17 H VAL 17 2.899 -6.638 5.112 91 HA VAL 17 HA VAL 17 2.868 -9.375 5.577 92 HB VAL 17 HB VAL 17 0.615 -7.424 6.077 93 HG11 VAL 17 1HG1 VAL 17 -0.305 -8.964 7.571 94 HG12 VAL 17 2HG1 VAL 17 0.152 -9.947 6.178 95 HG13 VAL 17 3HG1 VAL 17 1.166 -9.935 7.622 96 HG21 VAL 17 3HG2 VAL 17 2.797 -6.761 7.059 97 HG22 VAL 17 1HG2 VAL 17 1.562 -7.113 8.269 98 HG23 VAL 17 2HG2 VAL 17 2.830 -8.293 7.932 99 H CYS 18 H CYS 18 0.558 -7.432 3.687 100 HA CYS 18 HA CYS 18 -0.354 -9.927 2.410 101 HB2 CYS 18 1HB CYS 18 -2.527 -9.076 2.243 102 HB3 CYS 18 2HB CYS 18 -2.006 -8.545 3.839 103 H GLY 19 H GLY 19 0.556 -6.562 1.924 104 HA2 GLY 19 1HA GLY 19 1.893 -6.035 -0.040 105 HA3 GLY 19 2HA GLY 19 0.900 -7.168 -0.944 106 H LYS 20 H LYS 20 0.975 -4.008 0.586 107 HA LYS 20 HA LYS 20 -1.108 -3.130 -1.278 108 HB2 LYS 20 1HB LYS 20 -1.951 -3.643 1.137 109 HB3 LYS 20 2HB LYS 20 -1.146 -2.136 1.553 110 HG2 LYS 20 1HG LYS 20 -2.614 -0.855 0.329 111 HG3 LYS 20 2HG LYS 20 -3.068 -2.195 -0.726 112 HD2 LYS 20 1HD LYS 20 -3.729 -2.226 2.200 113 HD3 LYS 20 2HD LYS 20 -4.766 -1.396 1.038 114 HE2 LYS 20 1HE LYS 20 -3.946 -4.288 0.815 115 HE3 LYS 20 2HE LYS 20 -5.453 -3.742 1.550 116 HZ1 LYS 20 3HZ LYS 20 -4.796 -4.047 -1.209 117 HZ2 LYS 20 1HZ LYS 20 -5.375 -2.492 -0.882 118 HZ3 LYS 20 2HZ LYS 20 -6.309 -3.844 -0.481 119 H ALA 21 H ALA 21 -1.308 -0.611 -1.064 120 HA ALA 21 HA ALA 21 1.299 0.615 -0.552 121 HB1 ALA 21 3HB ALA 21 1.688 1.340 -2.668 122 HB2 ALA 21 1HB ALA 21 0.804 -0.136 -3.055 123 HB3 ALA 21 2HB ALA 21 -0.026 1.420 -3.076 124 H PHE 22 H PHE 22 1.188 2.674 0.195 125 HA PHE 22 HA PHE 22 -1.405 4.049 0.089 126 HB2 PHE 22 1HB PHE 22 0.320 3.825 2.565 127 HB3 PHE 22 2HB PHE 22 -1.203 4.699 2.434 128 HD1 PHE 22 HD2 PHE 22 0.364 1.392 2.604 129 HD2 PHE 22 HD1 PHE 22 -3.306 3.543 2.448 130 HE1 PHE 22 HE2 PHE 22 -0.853 -0.643 3.262 131 HE2 PHE 22 HE1 PHE 22 -4.528 1.512 3.107 132 HZ PHE 22 HZ PHE 22 -3.302 -0.585 3.514 133 H VAL 23 H VAL 23 -1.114 6.384 0.953 134 HA VAL 23 HA VAL 23 1.217 7.501 -0.429 135 HB VAL 23 HB VAL 23 -1.323 8.860 0.485 136 HG11 VAL 23 1HG1 VAL 23 0.669 10.336 0.438 137 HG12 VAL 23 2HG1 VAL 23 0.882 9.937 -1.268 138 HG13 VAL 23 3HG1 VAL 23 -0.567 10.792 -0.734 139 HG21 VAL 23 3HG2 VAL 23 -0.713 8.696 -2.377 140 HG22 VAL 23 1HG2 VAL 23 -1.043 7.143 -1.610 141 HG23 VAL 23 2HG2 VAL 23 -2.235 8.440 -1.524 142 H LEU 24 H LEU 24 -0.551 7.744 2.636 143 HA LEU 24 HA LEU 24 1.744 9.179 3.786 144 HB2 LEU 24 1HB LEU 24 -1.012 8.919 4.966 145 HB3 LEU 24 2HB LEU 24 0.277 10.010 5.472 146 HG LEU 24 HG LEU 24 -0.934 10.236 2.739 147 HD11 LEU 24 1HD1 LEU 24 -2.806 11.238 3.449 148 HD12 LEU 24 2HD1 LEU 24 -1.991 12.036 4.794 149 HD13 LEU 24 3HD1 LEU 24 -2.512 10.359 4.950 150 HD21 LEU 24 3HD2 LEU 24 -0.238 12.571 3.004 151 HD22 LEU 24 1HD2 LEU 24 1.120 11.461 3.184 152 HD23 LEU 24 2HD2 LEU 24 0.389 12.199 4.610 153 H SER 25 H SER 25 2.012 8.703 6.213 154 HA SER 25 HA SER 25 2.570 5.904 6.468 155 HB2 SER 25 1HB SER 25 3.428 6.550 8.726 156 HB3 SER 25 2HB SER 25 4.130 7.495 7.413 157 HG SER 25 HG SER 25 3.182 9.237 8.150 158 H ALA 26 H ALA 26 0.307 8.167 7.983 159 HA ALA 26 HA ALA 26 -0.794 6.505 9.911 160 HB1 ALA 26 3HB ALA 26 -2.947 7.960 9.227 161 HB2 ALA 26 1HB ALA 26 -1.614 8.588 10.197 162 HB3 ALA 26 2HB ALA 26 -1.678 8.919 8.466 163 H HIS 27 H HIS 27 -1.644 6.836 6.489 164 HA HIS 27 HA HIS 27 -3.900 5.175 6.489 165 HB2 HIS 27 1HB HIS 27 -1.908 5.842 4.321 166 HB3 HIS 27 2HB HIS 27 -3.350 4.874 4.029 167 HD2 HIS 27 HD2 HIS 27 -5.130 7.044 6.091 168 HE1 HIS 27 HE1 HIS 27 -4.444 9.581 2.761 169 HE2 HIS 27 HE2 HIS 27 -5.746 9.251 4.891 170 H LEU 28 H LEU 28 -0.471 4.432 6.024 171 HA LEU 28 HA LEU 28 -0.809 1.701 5.398 172 HB2 LEU 28 1HB LEU 28 1.256 2.684 4.849 173 HB3 LEU 28 2HB LEU 28 1.488 3.300 6.484 174 HG LEU 28 HG LEU 28 1.766 0.924 7.241 175 HD11 LEU 28 1HD1 LEU 28 2.010 -0.830 5.731 176 HD12 LEU 28 2HD1 LEU 28 2.185 0.254 4.351 177 HD13 LEU 28 3HD1 LEU 28 0.611 0.052 5.119 178 HD21 LEU 28 3HD2 LEU 28 4.022 0.772 5.770 179 HD22 LEU 28 1HD2 LEU 28 3.824 1.836 7.163 180 HD23 LEU 28 2HD2 LEU 28 3.600 2.469 5.532 181 H ASN 29 H ASN 29 -0.159 3.369 8.463 182 HA ASN 29 HA ASN 29 0.105 1.123 10.094 183 HB2 ASN 29 1HB ASN 29 -0.659 3.973 10.557 184 HB3 ASN 29 2HB ASN 29 -0.906 2.819 11.864 185 HD21 ASN 29 1HD2 ASN 29 1.273 4.855 10.353 186 HD22 ASN 29 2HD2 ASN 29 2.721 4.298 11.112 187 H GLN 30 H GLN 30 -2.807 3.111 9.551 188 HA GLN 30 HA GLN 30 -4.620 1.690 11.040 189 HB2 GLN 30 1HB GLN 30 -5.000 3.092 8.394 190 HB3 GLN 30 2HB GLN 30 -6.335 2.465 9.352 191 HG2 GLN 30 1HG GLN 30 -5.635 3.921 11.216 192 HG3 GLN 30 2HG GLN 30 -4.376 4.594 10.181 193 HE21 GLN 30 1HE2 GLN 30 -6.886 5.679 11.489 194 HE22 GLN 30 2HE2 GLN 30 -7.698 6.509 10.210 195 H HIS 31 H HIS 31 -3.406 0.951 7.818 196 HA HIS 31 HA HIS 31 -5.196 -1.121 7.187 197 HB2 HIS 31 1HB HIS 31 -3.810 -0.142 5.469 198 HB3 HIS 31 2HB HIS 31 -2.344 -0.645 6.304 199 HD1 HIS 31 HD1 HIS 31 -5.415 -2.370 4.845 200 HD2 HIS 31 HD2 HIS 31 -1.314 -2.900 5.246 201 HE1 HIS 31 HE1 HIS 31 -4.892 -4.513 3.637 202 H LEU 32 H LEU 32 -1.957 -1.235 8.655 203 HA LEU 32 HA LEU 32 -1.645 -3.950 8.930 204 HB2 LEU 32 1HB LEU 32 -0.850 -1.762 10.843 205 HB3 LEU 32 2HB LEU 32 -0.276 -3.426 10.947 206 HG LEU 32 HG LEU 32 0.192 -1.703 8.525 207 HD11 LEU 32 1HD1 LEU 32 2.584 -1.699 9.681 208 HD12 LEU 32 2HD1 LEU 32 1.590 -1.745 11.137 209 HD13 LEU 32 3HD1 LEU 32 1.391 -0.433 9.975 210 HD21 LEU 32 3HD2 LEU 32 2.064 -3.822 9.330 211 HD22 LEU 32 1HD2 LEU 32 1.436 -3.402 7.736 212 HD23 LEU 32 2HD2 LEU 32 0.463 -4.377 8.838 213 H ARG 33 H ARG 33 -3.763 -1.828 10.687 214 HA ARG 33 HA ARG 33 -4.274 -3.286 12.983 215 HB2 ARG 33 1HB ARG 33 -6.304 -1.747 11.355 216 HB3 ARG 33 2HB ARG 33 -6.432 -2.159 13.059 217 HG2 ARG 33 1HG ARG 33 -4.276 -0.406 11.904 218 HG3 ARG 33 2HG ARG 33 -5.774 0.193 12.621 219 HD2 ARG 33 1HD ARG 33 -4.122 -1.705 14.203 220 HD3 ARG 33 2HD ARG 33 -3.543 -0.049 14.028 221 HE ARG 33 HE ARG 33 -5.846 -0.944 15.531 222 HH11 ARG 33 1HH1 ARG 33 -4.194 1.744 14.060 223 HH12 ARG 33 2HH1 ARG 33 -4.975 2.933 15.048 224 HH21 ARG 33 1HH2 ARG 33 -6.881 0.612 16.838 225 HH22 ARG 33 2HH2 ARG 33 -6.503 2.288 16.629 226 H VAL 34 H VAL 34 -5.357 -3.837 9.706 227 HA VAL 34 HA VAL 34 -7.368 -5.756 10.367 228 HB VAL 34 HB VAL 34 -7.557 -6.186 8.041 229 HG11 VAL 34 1HG1 VAL 34 -8.553 -4.156 8.224 230 HG12 VAL 34 2HG1 VAL 34 -7.105 -3.380 8.868 231 HG13 VAL 34 3HG1 VAL 34 -7.243 -3.694 7.137 232 HG21 VAL 34 3HG2 VAL 34 -5.611 -6.571 6.988 233 HG22 VAL 34 1HG2 VAL 34 -5.645 -4.841 6.644 234 HG23 VAL 34 2HG2 VAL 34 -4.719 -5.450 8.016 235 H HIS 35 H HIS 35 -3.938 -5.861 9.911 236 HA HIS 35 HA HIS 35 -3.858 -8.734 9.548 237 HB2 HIS 35 1HB HIS 35 -1.606 -6.762 9.989 238 HB3 HIS 35 2HB HIS 35 -1.419 -8.448 9.517 239 HD1 HIS 35 HD1 HIS 35 -3.712 -8.433 7.347 240 HD2 HIS 35 HD2 HIS 35 -0.639 -5.654 7.661 241 HE1 HIS 35 HE1 HIS 35 -3.466 -7.440 5.050 242 H THR 36 H THR 36 -3.299 -6.384 12.100 243 HA THR 36 HA THR 36 -2.316 -8.355 13.962 244 HB THR 36 HB THR 36 -1.536 -6.025 14.094 245 HG1 THR 36 HG1 THR 36 -3.058 -6.765 16.389 246 HG21 THR 36 3HG2 THR 36 -2.890 -4.210 14.513 247 HG22 THR 36 1HG2 THR 36 -4.148 -5.186 15.270 248 HG23 THR 36 2HG2 THR 36 -3.963 -5.192 13.516 249 H GLN 37 H GLN 37 -4.741 -9.210 12.998 250 HA GLN 37 HA GLN 37 -6.642 -8.662 15.172 251 HB2 GLN 37 1HB GLN 37 -7.218 -8.429 12.628 252 HB3 GLN 37 2HB GLN 37 -7.362 -10.181 12.692 253 HG2 GLN 37 1HG GLN 37 -9.492 -8.884 12.992 254 HG3 GLN 37 2HG GLN 37 -9.135 -10.082 14.236 255 HE21 GLN 37 1HE2 GLN 37 -9.516 -9.422 16.214 256 HE22 GLN 37 2HE2 GLN 37 -9.421 -7.796 16.789 257 H GLU 38 H GLU 38 -7.915 -10.511 15.965 258 HA GLU 38 HA GLU 38 -6.273 -12.579 16.895 259 HB2 GLU 38 1HB GLU 38 -8.313 -11.865 18.054 260 HB3 GLU 38 2HB GLU 38 -9.290 -12.486 16.732 261 HG2 GLU 38 1HG GLU 38 -9.355 -14.055 18.525 262 HG3 GLU 38 2HG GLU 38 -8.410 -14.752 17.210 263 H THR 39 H THR 39 -5.719 -14.514 16.109 264 HA THR 39 HA THR 39 -7.262 -15.681 13.914 265 HB THR 39 HB THR 39 -5.187 -16.201 12.654 266 HG1 THR 39 HG1 THR 39 -3.419 -14.577 13.351 267 HG21 THR 39 3HG2 THR 39 -4.763 -13.829 11.873 268 HG22 THR 39 1HG2 THR 39 -5.876 -13.308 13.137 269 HG23 THR 39 2HG2 THR 39 -6.444 -14.361 11.840 270 H LEU 40 H LEU 40 -6.240 -17.919 13.352 271 HA LEU 40 HA LEU 40 -6.060 -19.367 15.862 272 HB2 LEU 40 1HB LEU 40 -6.384 -20.205 12.996 273 HB3 LEU 40 2HB LEU 40 -6.099 -21.371 14.287 274 HG LEU 40 HG LEU 40 -8.188 -20.533 15.387 275 HD11 LEU 40 1HD1 LEU 40 -8.517 -18.395 14.498 276 HD12 LEU 40 2HD1 LEU 40 -9.776 -19.380 13.753 277 HD13 LEU 40 3HD1 LEU 40 -8.329 -18.957 12.837 278 HD21 LEU 40 3HD2 LEU 40 -8.292 -22.587 14.195 279 HD22 LEU 40 1HD2 LEU 40 -8.325 -21.756 12.639 280 HD23 LEU 40 2HD2 LEU 40 -9.709 -21.646 13.726 281 H SER 41 H SER 41 -4.491 -21.220 15.992 282 HA SER 41 HA SER 41 -1.890 -20.358 16.072 283 HB2 SER 41 1HB SER 41 -2.621 -22.382 17.217 284 HB3 SER 41 2HB SER 41 -2.877 -23.193 15.672 285 HG SER 41 HG SER 41 -0.445 -22.407 15.516 286 H GLY 42 H GLY 42 -0.409 -19.877 14.595 287 HA2 GLY 42 1HA GLY 42 0.547 -21.230 12.501 288 HA3 GLY 42 2HA GLY 42 -0.911 -20.537 11.806 289 HA PRO 43 HA PRO 43 2.149 -16.927 12.938 290 HB2 PRO 43 1HB PRO 43 4.750 -17.681 13.140 291 HB3 PRO 43 2HB PRO 43 3.658 -17.613 14.529 292 HG2 PRO 43 1HG PRO 43 4.503 -19.976 12.896 293 HG3 PRO 43 2HG PRO 43 4.341 -19.833 14.656 294 HD2 PRO 43 1HD PRO 43 2.455 -21.010 13.110 295 HD3 PRO 43 2HD PRO 43 2.055 -20.123 14.595 296 H SER 44 H SER 44 3.055 -15.677 11.350 297 HA SER 44 HA SER 44 3.284 -16.865 8.737 298 HB2 SER 44 1HB SER 44 2.348 -14.498 9.457 299 HB3 SER 44 2HB SER 44 4.033 -14.017 9.258 300 HG SER 44 HG SER 44 2.956 -13.754 7.308 301 H SER 45 H SER 45 5.094 -17.167 7.529 302 HA SER 45 HA SER 45 7.547 -17.586 8.815 303 HB2 SER 45 1HB SER 45 8.436 -18.097 6.657 304 HB3 SER 45 2HB SER 45 6.756 -18.632 6.644 305 HG SER 45 HG SER 45 7.258 -17.467 4.757 306 H GLY 46 H GLY 46 9.648 -16.566 7.863 307 HA2 GLY 46 1HA GLY 46 10.138 -14.203 6.808 308 HA3 GLY 46 2HA GLY 46 9.405 -13.687 8.319 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -15.165 -10.240 -5.730 2 HA2 GLY 1 1HA GLY 1 -12.779 -9.748 -4.097 3 HA3 GLY 1 2HA GLY 1 -12.605 -10.745 -5.534 4 H SER 2 H SER 2 -13.823 -7.568 -4.496 5 HA SER 2 HA SER 2 -13.252 -6.508 -7.163 6 HB2 SER 2 1HB SER 2 -14.634 -4.661 -6.611 7 HB3 SER 2 2HB SER 2 -15.458 -6.072 -5.947 8 HG SER 2 HG SER 2 -15.210 -5.279 -4.020 9 H SER 3 H SER 3 -10.995 -7.187 -5.724 10 HA SER 3 HA SER 3 -9.728 -5.530 -4.050 11 HB2 SER 3 1HB SER 3 -7.621 -5.907 -5.448 12 HB3 SER 3 2HB SER 3 -8.489 -7.352 -4.930 13 HG SER 3 HG SER 3 -9.587 -7.043 -7.106 14 H GLY 4 H GLY 4 -9.800 -4.934 -7.571 15 HA2 GLY 4 1HA GLY 4 -10.201 -2.828 -8.568 16 HA3 GLY 4 2HA GLY 4 -9.850 -2.059 -7.027 17 H SER 5 H SER 5 -8.744 -0.934 -9.174 18 HA SER 5 HA SER 5 -6.069 -2.004 -9.571 19 HB2 SER 5 1HB SER 5 -7.639 0.244 -10.803 20 HB3 SER 5 2HB SER 5 -5.894 0.137 -11.035 21 HG SER 5 HG SER 5 -6.174 -1.872 -11.989 22 H SER 6 H SER 6 -4.230 -0.371 -9.508 23 HA SER 6 HA SER 6 -4.273 0.895 -6.885 24 HB2 SER 6 1HB SER 6 -1.993 0.402 -8.814 25 HB3 SER 6 2HB SER 6 -1.821 1.094 -7.201 26 HG SER 6 HG SER 6 -2.035 -0.827 -6.357 27 H GLY 7 H GLY 7 -2.735 2.959 -6.853 28 HA2 GLY 7 1HA GLY 7 -4.088 4.894 -8.566 29 HA3 GLY 7 2HA GLY 7 -3.103 5.260 -7.157 30 H THR 8 H THR 8 -2.467 6.914 -8.932 31 HA THR 8 HA THR 8 -0.461 5.849 -10.766 32 HB THR 8 HB THR 8 -1.520 8.663 -10.442 33 HG1 THR 8 HG1 THR 8 -1.910 6.963 -12.669 34 HG21 THR 8 3HG2 THR 8 0.059 7.698 -12.794 35 HG22 THR 8 1HG2 THR 8 0.893 8.266 -11.348 36 HG23 THR 8 2HG2 THR 8 -0.197 9.345 -12.218 37 H GLY 9 H GLY 9 1.689 6.072 -10.502 38 HA2 GLY 9 1HA GLY 9 3.677 7.041 -9.716 39 HA3 GLY 9 2HA GLY 9 2.735 8.011 -8.593 40 H GLU 10 H GLU 10 5.122 6.076 -8.399 41 HA GLU 10 HA GLU 10 4.269 3.902 -6.788 42 HB2 GLU 10 1HB GLU 10 6.965 5.230 -7.091 43 HB3 GLU 10 2HB GLU 10 6.697 3.768 -6.153 44 HG2 GLU 10 1HG GLU 10 7.519 3.078 -8.247 45 HG3 GLU 10 2HG GLU 10 5.794 2.716 -8.248 46 H LYS 11 H LYS 11 3.443 4.022 -4.820 47 HA LYS 11 HA LYS 11 3.588 6.383 -3.227 48 HB2 LYS 11 1HB LYS 11 2.410 3.654 -2.888 49 HB3 LYS 11 2HB LYS 11 2.575 4.693 -1.478 50 HG2 LYS 11 1HG LYS 11 0.442 5.175 -2.179 51 HG3 LYS 11 2HG LYS 11 1.374 6.456 -2.959 52 HD2 LYS 11 1HD LYS 11 1.268 5.404 -5.057 53 HD3 LYS 11 2HD LYS 11 0.769 3.863 -4.353 54 HE2 LYS 11 1HE LYS 11 -0.902 6.367 -4.240 55 HE3 LYS 11 2HE LYS 11 -1.045 5.160 -5.517 56 HZ1 LYS 11 3HZ LYS 11 -1.400 4.594 -2.624 57 HZ2 LYS 11 1HZ LYS 11 -1.658 3.516 -3.902 58 HZ3 LYS 11 2HZ LYS 11 -2.668 4.860 -3.711 59 HA PRO 12 HA PRO 12 7.302 5.632 -0.987 60 HB2 PRO 12 1HB PRO 12 6.772 7.092 1.239 61 HB3 PRO 12 2HB PRO 12 7.167 7.826 -0.320 62 HG2 PRO 12 1HG PRO 12 4.490 7.411 0.954 63 HG3 PRO 12 2HG PRO 12 5.111 8.831 0.091 64 HD2 PRO 12 1HD PRO 12 3.451 7.032 -1.068 65 HD3 PRO 12 2HD PRO 12 4.696 7.910 -1.981 66 H TYR 13 H TYR 13 4.185 5.059 0.539 67 HA TYR 13 HA TYR 13 5.462 3.183 2.410 68 HB2 TYR 13 1HB TYR 13 2.674 4.341 2.567 69 HB3 TYR 13 2HB TYR 13 3.497 3.395 3.802 70 HD1 TYR 13 HD1 TYR 13 5.358 4.386 5.087 71 HD2 TYR 13 HD2 TYR 13 3.105 6.683 2.303 72 HE1 TYR 13 HE1 TYR 13 6.237 6.452 6.090 73 HE2 TYR 13 HE2 TYR 13 3.978 8.756 3.298 74 HH TYR 13 HH TYR 13 5.162 9.085 6.117 75 H SER 14 H SER 14 4.497 1.119 2.753 76 HA SER 14 HA SER 14 2.408 0.184 1.015 77 HB2 SER 14 1HB SER 14 4.744 0.186 -0.250 78 HB3 SER 14 2HB SER 14 4.964 -1.315 0.648 79 HG SER 14 HG SER 14 3.963 -1.950 -1.168 80 H CYS 15 H CYS 15 2.120 -2.253 1.293 81 HA CYS 15 HA CYS 15 2.597 -2.900 4.120 82 HB2 CYS 15 1HB CYS 15 0.270 -2.868 3.708 83 HB3 CYS 15 2HB CYS 15 0.447 -3.721 2.177 84 H ASN 16 H ASN 16 3.835 -4.578 4.669 85 HA ASN 16 HA ASN 16 4.775 -6.350 2.516 86 HB2 ASN 16 1HB ASN 16 6.543 -5.041 3.601 87 HB3 ASN 16 2HB ASN 16 6.069 -5.687 5.170 88 HD21 ASN 16 1HD2 ASN 16 7.210 -7.331 5.873 89 HD22 ASN 16 2HD2 ASN 16 8.105 -8.443 4.900 90 H VAL 17 H VAL 17 2.299 -6.915 3.603 91 HA VAL 17 HA VAL 17 2.873 -9.415 5.042 92 HB VAL 17 HB VAL 17 0.597 -7.525 5.656 93 HG11 VAL 17 1HG1 VAL 17 -0.224 -9.753 5.848 94 HG12 VAL 17 2HG1 VAL 17 1.232 -10.281 6.694 95 HG13 VAL 17 3HG1 VAL 17 0.106 -9.174 7.480 96 HG21 VAL 17 3HG2 VAL 17 1.822 -7.839 7.996 97 HG22 VAL 17 1HG2 VAL 17 3.210 -8.098 6.938 98 HG23 VAL 17 2HG2 VAL 17 2.299 -6.590 6.845 99 H CYS 18 H CYS 18 0.490 -7.591 3.145 100 HA CYS 18 HA CYS 18 -0.367 -10.140 1.940 101 HB2 CYS 18 1HB CYS 18 -2.629 -9.288 1.767 102 HB3 CYS 18 2HB CYS 18 -2.102 -9.191 3.444 103 H GLY 19 H GLY 19 -0.078 -6.632 1.475 104 HA2 GLY 19 1HA GLY 19 1.234 -6.119 -0.634 105 HA3 GLY 19 2HA GLY 19 0.026 -7.113 -1.436 106 H LYS 20 H LYS 20 0.593 -4.090 0.255 107 HA LYS 20 HA LYS 20 -1.611 -2.893 -1.231 108 HB2 LYS 20 1HB LYS 20 -2.238 -3.694 1.214 109 HB3 LYS 20 2HB LYS 20 -1.428 -2.200 1.668 110 HG2 LYS 20 1HG LYS 20 -3.000 -0.872 0.592 111 HG3 LYS 20 2HG LYS 20 -3.576 -2.203 -0.414 112 HD2 LYS 20 1HD LYS 20 -4.206 -3.236 1.936 113 HD3 LYS 20 2HD LYS 20 -4.214 -1.538 2.416 114 HE2 LYS 20 1HE LYS 20 -5.733 -2.594 0.041 115 HE3 LYS 20 2HE LYS 20 -6.428 -2.475 1.656 116 HZ1 LYS 20 3HZ LYS 20 -6.461 -0.207 1.577 117 HZ2 LYS 20 1HZ LYS 20 -6.704 -0.549 -0.062 118 HZ3 LYS 20 2HZ LYS 20 -5.170 -0.097 0.489 119 H ALA 21 H ALA 21 -1.589 -0.490 -1.054 120 HA ALA 21 HA ALA 21 1.076 0.572 -0.413 121 HB1 ALA 21 3HB ALA 21 0.026 0.238 -3.018 122 HB2 ALA 21 1HB ALA 21 0.048 1.968 -2.671 123 HB3 ALA 21 2HB ALA 21 1.531 1.022 -2.536 124 H PHE 22 H PHE 22 1.144 2.780 0.144 125 HA PHE 22 HA PHE 22 -1.384 4.210 0.384 126 HB2 PHE 22 1HB PHE 22 0.394 3.890 2.801 127 HB3 PHE 22 2HB PHE 22 -1.222 4.586 2.729 128 HD1 PHE 22 HD2 PHE 22 0.679 1.430 2.460 129 HD2 PHE 22 HD1 PHE 22 -3.138 3.245 2.964 130 HE1 PHE 22 HE2 PHE 22 -0.284 -0.762 3.027 131 HE2 PHE 22 HE1 PHE 22 -4.107 1.057 3.533 132 HZ PHE 22 HZ PHE 22 -2.681 -0.951 3.564 133 H VAL 23 H VAL 23 -1.164 6.450 0.557 134 HA VAL 23 HA VAL 23 1.302 7.494 -0.494 135 HB VAL 23 HB VAL 23 -1.210 8.938 0.366 136 HG11 VAL 23 1HG1 VAL 23 0.978 10.253 0.297 137 HG12 VAL 23 2HG1 VAL 23 0.930 10.007 -1.450 138 HG13 VAL 23 3HG1 VAL 23 -0.374 10.881 -0.644 139 HG21 VAL 23 3HG2 VAL 23 -1.997 8.764 -1.786 140 HG22 VAL 23 1HG2 VAL 23 -0.388 8.541 -2.473 141 HG23 VAL 23 2HG2 VAL 23 -1.172 7.215 -1.614 142 H LEU 24 H LEU 24 -0.505 7.793 2.541 143 HA LEU 24 HA LEU 24 1.805 9.176 3.724 144 HB2 LEU 24 1HB LEU 24 -0.989 8.966 4.827 145 HB3 LEU 24 2HB LEU 24 0.317 9.987 5.426 146 HG LEU 24 HG LEU 24 -0.944 10.322 2.709 147 HD11 LEU 24 1HD1 LEU 24 -2.746 11.030 3.833 148 HD12 LEU 24 2HD1 LEU 24 -1.768 12.451 4.194 149 HD13 LEU 24 3HD1 LEU 24 -1.875 11.135 5.363 150 HD21 LEU 24 3HD2 LEU 24 1.153 11.717 4.273 151 HD22 LEU 24 1HD2 LEU 24 0.043 12.712 3.330 152 HD23 LEU 24 2HD2 LEU 24 1.009 11.470 2.532 153 H SER 25 H SER 25 1.967 8.695 6.187 154 HA SER 25 HA SER 25 2.508 5.886 6.428 155 HB2 SER 25 1HB SER 25 3.413 6.467 8.635 156 HB3 SER 25 2HB SER 25 4.021 7.570 7.400 157 HG SER 25 HG SER 25 3.159 9.139 8.480 158 H ALA 26 H ALA 26 0.251 8.168 7.928 159 HA ALA 26 HA ALA 26 -0.915 6.498 9.809 160 HB1 ALA 26 3HB ALA 26 -2.453 8.138 10.098 161 HB2 ALA 26 1HB ALA 26 -1.294 9.052 9.131 162 HB3 ALA 26 2HB ALA 26 -2.720 8.347 8.367 163 H HIS 27 H HIS 27 -1.701 6.896 6.378 164 HA HIS 27 HA HIS 27 -3.980 5.269 6.314 165 HB2 HIS 27 1HB HIS 27 -1.941 5.896 4.174 166 HB3 HIS 27 2HB HIS 27 -3.438 5.020 3.865 167 HD2 HIS 27 HD2 HIS 27 -4.298 7.744 6.283 168 HE1 HIS 27 HE1 HIS 27 -4.835 9.444 2.433 169 HE2 HIS 27 HE2 HIS 27 -5.187 9.747 4.909 170 H LEU 28 H LEU 28 -0.556 4.482 5.887 171 HA LEU 28 HA LEU 28 -0.945 1.757 5.233 172 HB2 LEU 28 1HB LEU 28 1.126 2.773 4.678 173 HB3 LEU 28 2HB LEU 28 1.402 3.274 6.346 174 HG LEU 28 HG LEU 28 1.710 0.910 6.977 175 HD11 LEU 28 1HD1 LEU 28 1.685 0.304 4.032 176 HD12 LEU 28 2HD1 LEU 28 0.298 0.030 5.085 177 HD13 LEU 28 3HD1 LEU 28 1.809 -0.829 5.377 178 HD21 LEU 28 3HD2 LEU 28 3.548 1.437 4.681 179 HD22 LEU 28 1HD2 LEU 28 3.910 0.804 6.287 180 HD23 LEU 28 2HD2 LEU 28 3.546 2.517 6.076 181 H ASN 29 H ASN 29 -0.254 3.411 8.295 182 HA ASN 29 HA ASN 29 -0.021 1.136 9.908 183 HB2 ASN 29 1HB ASN 29 -0.699 4.006 10.423 184 HB3 ASN 29 2HB ASN 29 -0.885 2.834 11.724 185 HD21 ASN 29 1HD2 ASN 29 0.789 4.511 12.490 186 HD22 ASN 29 2HD2 ASN 29 2.441 4.069 12.245 187 H GLN 30 H GLN 30 -2.860 3.208 9.323 188 HA GLN 30 HA GLN 30 -4.720 1.924 10.878 189 HB2 GLN 30 1HB GLN 30 -4.878 3.450 8.323 190 HB3 GLN 30 2HB GLN 30 -6.310 2.578 8.852 191 HG2 GLN 30 1HG GLN 30 -4.882 4.831 10.213 192 HG3 GLN 30 2HG GLN 30 -6.564 4.740 9.695 193 HE21 GLN 30 1HE2 GLN 30 -7.838 2.964 10.780 194 HE22 GLN 30 2HE2 GLN 30 -7.589 2.758 12.477 195 H HIS 31 H HIS 31 -3.427 0.931 7.778 196 HA HIS 31 HA HIS 31 -5.332 -1.129 7.289 197 HB2 HIS 31 1HB HIS 31 -4.147 -0.297 5.404 198 HB3 HIS 31 2HB HIS 31 -2.587 -0.558 6.178 199 HD1 HIS 31 HD1 HIS 31 -5.529 -2.792 5.225 200 HD2 HIS 31 HD2 HIS 31 -1.376 -2.725 5.137 201 HE1 HIS 31 HE1 HIS 31 -4.844 -4.962 4.154 202 H LEU 32 H LEU 32 -1.905 -1.291 8.276 203 HA LEU 32 HA LEU 32 -1.514 -3.905 8.703 204 HB2 LEU 32 1HB LEU 32 -0.783 -1.684 10.603 205 HB3 LEU 32 2HB LEU 32 -0.118 -3.314 10.678 206 HG LEU 32 HG LEU 32 0.198 -1.500 8.293 207 HD11 LEU 32 1HD1 LEU 32 1.627 -1.568 10.858 208 HD12 LEU 32 2HD1 LEU 32 1.514 -0.288 9.650 209 HD13 LEU 32 3HD1 LEU 32 2.653 -1.615 9.424 210 HD21 LEU 32 3HD2 LEU 32 0.643 -4.235 8.654 211 HD22 LEU 32 1HD2 LEU 32 2.237 -3.483 8.727 212 HD23 LEU 32 2HD2 LEU 32 1.204 -3.225 7.321 213 H ARG 33 H ARG 33 -3.599 -1.850 10.614 214 HA ARG 33 HA ARG 33 -4.033 -3.179 12.919 215 HB2 ARG 33 1HB ARG 33 -6.025 -1.918 11.048 216 HB3 ARG 33 2HB ARG 33 -6.513 -2.585 12.600 217 HG2 ARG 33 1HG ARG 33 -4.726 -1.070 13.615 218 HG3 ARG 33 2HG ARG 33 -4.711 -0.256 12.049 219 HD2 ARG 33 1HD ARG 33 -6.210 0.924 13.498 220 HD3 ARG 33 2HD ARG 33 -7.164 0.087 12.275 221 HE ARG 33 HE ARG 33 -8.099 -1.200 13.927 222 HH11 ARG 33 1HH1 ARG 33 -5.310 0.457 15.190 223 HH12 ARG 33 2HH1 ARG 33 -5.622 0.003 16.833 224 HH21 ARG 33 1HH2 ARG 33 -8.520 -1.805 16.086 225 HH22 ARG 33 2HH2 ARG 33 -7.448 -1.285 17.341 226 H VAL 34 H VAL 34 -5.483 -4.058 9.794 227 HA VAL 34 HA VAL 34 -7.018 -6.215 10.613 228 HB VAL 34 HB VAL 34 -6.934 -7.026 8.339 229 HG11 VAL 34 1HG1 VAL 34 -7.164 -4.636 7.178 230 HG12 VAL 34 2HG1 VAL 34 -8.388 -5.282 8.272 231 HG13 VAL 34 3HG1 VAL 34 -7.198 -4.123 8.865 232 HG21 VAL 34 3HG2 VAL 34 -4.566 -5.186 8.035 233 HG22 VAL 34 1HG2 VAL 34 -4.585 -6.943 7.888 234 HG23 VAL 34 2HG2 VAL 34 -5.406 -5.948 6.685 235 H HIS 35 H HIS 35 -3.588 -6.110 9.752 236 HA HIS 35 HA HIS 35 -3.224 -8.940 10.087 237 HB2 HIS 35 1HB HIS 35 -1.093 -6.800 9.984 238 HB3 HIS 35 2HB HIS 35 -0.893 -8.519 9.658 239 HD1 HIS 35 HD1 HIS 35 -3.076 -9.074 7.666 240 HD2 HIS 35 HD2 HIS 35 -0.776 -5.615 7.576 241 HE1 HIS 35 HE1 HIS 35 -3.215 -8.236 5.299 242 H THR 36 H THR 36 -4.436 -8.144 12.344 243 HA THR 36 HA THR 36 -2.283 -8.118 14.358 244 HB THR 36 HB THR 36 -3.773 -6.087 14.347 245 HG1 THR 36 HG1 THR 36 -3.349 -6.012 16.420 246 HG21 THR 36 3HG2 THR 36 -6.014 -6.351 15.359 247 HG22 THR 36 1HG2 THR 36 -5.827 -8.102 15.266 248 HG23 THR 36 2HG2 THR 36 -5.885 -7.142 13.788 249 H GLN 37 H GLN 37 -5.284 -9.567 13.307 250 HA GLN 37 HA GLN 37 -5.887 -11.122 15.544 251 HB2 GLN 37 1HB GLN 37 -6.343 -11.743 12.621 252 HB3 GLN 37 2HB GLN 37 -7.105 -12.589 13.962 253 HG2 GLN 37 1HG GLN 37 -8.403 -10.745 14.548 254 HG3 GLN 37 2HG GLN 37 -7.389 -9.628 13.635 255 HE21 GLN 37 1HE2 GLN 37 -8.477 -8.839 11.991 256 HE22 GLN 37 2HE2 GLN 37 -9.532 -9.721 10.946 257 H GLU 38 H GLU 38 -5.742 -13.560 15.603 258 HA GLU 38 HA GLU 38 -2.962 -14.321 15.082 259 HB2 GLU 38 1HB GLU 38 -5.051 -15.234 17.019 260 HB3 GLU 38 2HB GLU 38 -3.741 -16.326 16.592 261 HG2 GLU 38 1HG GLU 38 -3.254 -15.092 18.632 262 HG3 GLU 38 2HG GLU 38 -2.107 -14.704 17.351 263 H THR 39 H THR 39 -2.744 -15.190 13.113 264 HA THR 39 HA THR 39 -4.493 -17.452 12.424 265 HB THR 39 HB THR 39 -4.598 -16.800 10.115 266 HG1 THR 39 HG1 THR 39 -3.177 -15.463 9.305 267 HG21 THR 39 3HG2 THR 39 -6.358 -15.806 11.324 268 HG22 THR 39 1HG2 THR 39 -5.695 -14.503 10.339 269 HG23 THR 39 2HG2 THR 39 -5.291 -14.605 12.053 270 H LEU 40 H LEU 40 -3.452 -19.237 11.768 271 HA LEU 40 HA LEU 40 -0.811 -19.726 12.161 272 HB2 LEU 40 1HB LEU 40 -1.022 -21.669 10.772 273 HB3 LEU 40 2HB LEU 40 -2.520 -21.433 11.669 274 HG LEU 40 HG LEU 40 -2.327 -20.388 8.882 275 HD11 LEU 40 1HD1 LEU 40 -1.945 -23.141 9.590 276 HD12 LEU 40 2HD1 LEU 40 -1.956 -22.386 7.997 277 HD13 LEU 40 3HD1 LEU 40 -3.466 -22.941 8.720 278 HD21 LEU 40 3HD2 LEU 40 -4.405 -21.107 10.850 279 HD22 LEU 40 1HD2 LEU 40 -4.763 -21.479 9.164 280 HD23 LEU 40 2HD2 LEU 40 -4.379 -19.825 9.639 281 H SER 41 H SER 41 1.040 -19.925 10.814 282 HA SER 41 HA SER 41 1.631 -17.726 9.244 283 HB2 SER 41 1HB SER 41 2.877 -20.419 9.591 284 HB3 SER 41 2HB SER 41 3.458 -19.387 8.284 285 HG SER 41 HG SER 41 4.007 -17.832 9.780 286 H GLY 42 H GLY 42 1.812 -17.370 7.019 287 HA2 GLY 42 1HA GLY 42 -0.012 -19.023 5.416 288 HA3 GLY 42 2HA GLY 42 0.466 -17.372 5.050 289 HA PRO 43 HA PRO 43 3.175 -19.171 2.062 290 HB2 PRO 43 1HB PRO 43 4.564 -16.920 1.451 291 HB3 PRO 43 2HB PRO 43 2.915 -17.215 0.886 292 HG2 PRO 43 1HG PRO 43 3.859 -15.552 3.189 293 HG3 PRO 43 2HG PRO 43 2.611 -15.187 1.984 294 HD2 PRO 43 1HD PRO 43 2.018 -16.067 4.475 295 HD3 PRO 43 2HD PRO 43 1.021 -16.462 3.060 296 H SER 44 H SER 44 4.612 -16.903 4.412 297 HA SER 44 HA SER 44 6.481 -18.794 5.381 298 HB2 SER 44 1HB SER 44 7.352 -18.077 3.012 299 HB3 SER 44 2HB SER 44 7.865 -16.615 3.855 300 HG SER 44 HG SER 44 9.293 -17.748 4.995 301 H SER 45 H SER 45 7.987 -17.841 6.952 302 HA SER 45 HA SER 45 7.611 -15.100 7.740 303 HB2 SER 45 1HB SER 45 6.770 -15.691 10.031 304 HB3 SER 45 2HB SER 45 5.604 -15.985 8.741 305 HG SER 45 HG SER 45 7.325 -17.994 9.753 306 H GLY 46 H GLY 46 9.530 -14.428 8.419 307 HA2 GLY 46 1HA GLY 46 11.081 -15.929 10.316 308 HA3 GLY 46 2HA GLY 46 11.797 -15.923 8.712 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -13.206 3.457 -27.236 2 HA2 GLY 1 1HA GLY 1 -12.857 4.929 -25.388 3 HA3 GLY 1 2HA GLY 1 -13.229 3.600 -24.300 4 H SER 2 H SER 2 -10.809 5.526 -25.230 5 HA SER 2 HA SER 2 -8.770 3.435 -24.831 6 HB2 SER 2 1HB SER 2 -8.654 5.942 -26.512 7 HB3 SER 2 2HB SER 2 -7.220 5.015 -26.073 8 HG SER 2 HG SER 2 -9.433 3.764 -27.289 9 H SER 3 H SER 3 -10.013 4.645 -22.668 10 HA SER 3 HA SER 3 -8.036 6.593 -21.698 11 HB2 SER 3 1HB SER 3 -9.660 7.370 -20.150 12 HB3 SER 3 2HB SER 3 -10.531 7.147 -21.667 13 HG SER 3 HG SER 3 -11.739 6.211 -20.056 14 H GLY 4 H GLY 4 -6.828 6.207 -19.896 15 HA2 GLY 4 1HA GLY 4 -7.309 3.701 -18.431 16 HA3 GLY 4 2HA GLY 4 -5.720 4.008 -19.118 17 H SER 5 H SER 5 -7.941 4.763 -16.575 18 HA SER 5 HA SER 5 -5.991 6.606 -15.374 19 HB2 SER 5 1HB SER 5 -8.886 6.157 -14.611 20 HB3 SER 5 2HB SER 5 -7.812 7.393 -13.956 21 HG SER 5 HG SER 5 -7.638 7.916 -16.391 22 H SER 6 H SER 6 -4.579 4.986 -14.617 23 HA SER 6 HA SER 6 -5.487 2.865 -12.928 24 HB2 SER 6 1HB SER 6 -2.780 3.951 -13.666 25 HB3 SER 6 2HB SER 6 -2.950 2.723 -12.412 26 HG SER 6 HG SER 6 -3.896 1.358 -13.930 27 H GLY 7 H GLY 7 -3.421 5.700 -12.241 28 HA2 GLY 7 1HA GLY 7 -4.662 6.831 -10.143 29 HA3 GLY 7 2HA GLY 7 -3.929 5.418 -9.400 30 H THR 8 H THR 8 -3.433 8.599 -10.545 31 HA THR 8 HA THR 8 -0.629 8.586 -10.855 32 HB THR 8 HB THR 8 -0.735 11.007 -10.669 33 HG1 THR 8 HG1 THR 8 -3.338 10.495 -9.644 34 HG21 THR 8 3HG2 THR 8 -1.490 10.011 -12.769 35 HG22 THR 8 1HG2 THR 8 -2.398 11.479 -12.411 36 HG23 THR 8 2HG2 THR 8 -3.132 9.899 -12.137 37 H GLY 9 H GLY 9 0.826 9.954 -9.397 38 HA2 GLY 9 1HA GLY 9 1.584 10.563 -7.264 39 HA3 GLY 9 2HA GLY 9 0.159 9.809 -6.566 40 H GLU 10 H GLU 10 3.224 9.610 -6.202 41 HA GLU 10 HA GLU 10 3.640 6.769 -6.670 42 HB2 GLU 10 1HB GLU 10 5.913 7.194 -5.801 43 HB3 GLU 10 2HB GLU 10 5.497 8.253 -7.141 44 HG2 GLU 10 1HG GLU 10 5.263 10.115 -5.752 45 HG3 GLU 10 2HG GLU 10 5.160 9.126 -4.296 46 H LYS 11 H LYS 11 3.651 5.213 -5.137 47 HA LYS 11 HA LYS 11 2.819 6.017 -2.436 48 HB2 LYS 11 1HB LYS 11 2.613 3.312 -3.773 49 HB3 LYS 11 2HB LYS 11 1.973 3.735 -2.190 50 HG2 LYS 11 1HG LYS 11 0.116 3.828 -3.575 51 HG3 LYS 11 2HG LYS 11 0.611 5.517 -3.439 52 HD2 LYS 11 1HD LYS 11 1.429 5.586 -5.601 53 HD3 LYS 11 2HD LYS 11 1.664 3.838 -5.678 54 HE2 LYS 11 1HE LYS 11 -0.631 3.439 -5.991 55 HE3 LYS 11 2HE LYS 11 -1.070 5.065 -5.472 56 HZ1 LYS 11 3HZ LYS 11 -0.141 5.965 -7.468 57 HZ2 LYS 11 1HZ LYS 11 -1.212 4.728 -7.898 58 HZ3 LYS 11 2HZ LYS 11 0.457 4.456 -7.944 59 HA PRO 12 HA PRO 12 7.140 4.818 -1.621 60 HB2 PRO 12 1HB PRO 12 7.342 6.316 0.634 61 HB3 PRO 12 2HB PRO 12 7.564 6.986 -0.987 62 HG2 PRO 12 1HG PRO 12 5.154 7.076 0.787 63 HG3 PRO 12 2HG PRO 12 5.859 8.363 -0.209 64 HD2 PRO 12 1HD PRO 12 3.691 6.940 -0.988 65 HD3 PRO 12 2HD PRO 12 4.882 7.575 -2.142 66 H TYR 13 H TYR 13 4.293 4.776 0.426 67 HA TYR 13 HA TYR 13 5.540 2.914 2.293 68 HB2 TYR 13 1HB TYR 13 2.765 4.120 2.287 69 HB3 TYR 13 2HB TYR 13 3.447 3.129 3.572 70 HD1 TYR 13 HD1 TYR 13 5.292 4.011 4.967 71 HD2 TYR 13 HD2 TYR 13 3.326 6.434 2.074 72 HE1 TYR 13 HE1 TYR 13 6.217 6.024 6.033 73 HE2 TYR 13 HE2 TYR 13 4.247 8.454 3.132 74 HH TYR 13 HH TYR 13 6.106 9.099 4.563 75 H SER 14 H SER 14 4.794 0.819 2.661 76 HA SER 14 HA SER 14 2.714 -0.284 0.969 77 HB2 SER 14 1HB SER 14 4.046 -1.860 -0.189 78 HB3 SER 14 2HB SER 14 4.926 -0.339 -0.332 79 HG SER 14 HG SER 14 6.437 -1.062 1.016 80 H CYS 15 H CYS 15 2.223 -2.544 1.519 81 HA CYS 15 HA CYS 15 2.769 -3.041 4.361 82 HB2 CYS 15 1HB CYS 15 0.431 -2.860 3.973 83 HB3 CYS 15 2HB CYS 15 0.515 -3.888 2.546 84 H ASN 16 H ASN 16 4.110 -4.623 4.894 85 HA ASN 16 HA ASN 16 4.861 -6.595 2.870 86 HB2 ASN 16 1HB ASN 16 6.644 -5.328 4.048 87 HB3 ASN 16 2HB ASN 16 6.116 -6.043 5.568 88 HD21 ASN 16 1HD2 ASN 16 7.213 -7.743 6.199 89 HD22 ASN 16 2HD2 ASN 16 8.078 -8.838 5.181 90 H VAL 17 H VAL 17 2.316 -6.958 3.906 91 HA VAL 17 HA VAL 17 2.680 -9.446 5.437 92 HB VAL 17 HB VAL 17 0.461 -7.436 5.842 93 HG11 VAL 17 1HG1 VAL 17 -0.222 -8.953 7.688 94 HG12 VAL 17 2HG1 VAL 17 -0.408 -9.663 6.083 95 HG13 VAL 17 3HG1 VAL 17 0.954 -10.129 7.103 96 HG21 VAL 17 3HG2 VAL 17 3.053 -7.639 6.995 97 HG22 VAL 17 1HG2 VAL 17 1.760 -6.504 7.381 98 HG23 VAL 17 2HG2 VAL 17 1.862 -8.046 8.230 99 H CYS 18 H CYS 18 0.415 -7.583 3.421 100 HA CYS 18 HA CYS 18 -0.502 -10.133 2.260 101 HB2 CYS 18 1HB CYS 18 -2.676 -9.122 1.885 102 HB3 CYS 18 2HB CYS 18 -2.249 -8.976 3.587 103 H GLY 19 H GLY 19 0.112 -6.699 1.617 104 HA2 GLY 19 1HA GLY 19 1.563 -6.368 -0.411 105 HA3 GLY 19 2HA GLY 19 0.395 -7.384 -1.244 106 H LYS 20 H LYS 20 0.651 -4.354 0.591 107 HA LYS 20 HA LYS 20 -1.296 -3.174 -1.267 108 HB2 LYS 20 1HB LYS 20 -2.140 -3.811 1.150 109 HB3 LYS 20 2HB LYS 20 -1.309 -2.328 1.601 110 HG2 LYS 20 1HG LYS 20 -2.749 -0.994 0.379 111 HG3 LYS 20 2HG LYS 20 -3.267 -2.327 -0.657 112 HD2 LYS 20 1HD LYS 20 -3.850 -2.357 2.282 113 HD3 LYS 20 2HD LYS 20 -4.881 -1.455 1.169 114 HE2 LYS 20 1HE LYS 20 -4.194 -4.309 0.598 115 HE3 LYS 20 2HE LYS 20 -5.456 -3.925 1.767 116 HZ1 LYS 20 3HZ LYS 20 -6.833 -3.153 0.166 117 HZ2 LYS 20 1HZ LYS 20 -5.948 -4.222 -0.801 118 HZ3 LYS 20 2HZ LYS 20 -5.583 -2.571 -0.813 119 H ALA 21 H ALA 21 -1.251 -0.751 -1.188 120 HA ALA 21 HA ALA 21 1.367 0.314 -0.399 121 HB1 ALA 21 3HB ALA 21 0.119 0.707 -3.116 122 HB2 ALA 21 1HB ALA 21 1.595 1.479 -2.536 123 HB3 ALA 21 2HB ALA 21 1.542 -0.271 -2.758 124 H PHE 22 H PHE 22 1.380 2.454 0.213 125 HA PHE 22 HA PHE 22 -1.133 3.950 0.017 126 HB2 PHE 22 1HB PHE 22 0.445 3.629 2.578 127 HB3 PHE 22 2HB PHE 22 -1.004 4.608 2.369 128 HD1 PHE 22 HD2 PHE 22 0.314 1.201 2.629 129 HD2 PHE 22 HD1 PHE 22 -3.182 3.602 2.271 130 HE1 PHE 22 HE2 PHE 22 -1.076 -0.739 3.227 131 HE2 PHE 22 HE1 PHE 22 -4.577 1.666 2.868 132 HZ PHE 22 HZ PHE 22 -3.525 -0.509 3.346 133 H VAL 23 H VAL 23 -0.905 6.235 0.239 134 HA VAL 23 HA VAL 23 1.592 7.206 -0.818 135 HB VAL 23 HB VAL 23 -0.905 8.715 -0.032 136 HG11 VAL 23 1HG1 VAL 23 1.584 9.773 -0.379 137 HG12 VAL 23 2HG1 VAL 23 0.908 9.894 -2.004 138 HG13 VAL 23 3HG1 VAL 23 0.071 10.639 -0.641 139 HG21 VAL 23 3HG2 VAL 23 0.008 8.088 -2.822 140 HG22 VAL 23 1HG2 VAL 23 -1.014 6.977 -1.911 141 HG23 VAL 23 2HG2 VAL 23 -1.584 8.607 -2.270 142 H LEU 24 H LEU 24 -0.199 7.488 2.212 143 HA LEU 24 HA LEU 24 2.124 8.865 3.389 144 HB2 LEU 24 1HB LEU 24 -0.701 8.852 4.431 145 HB3 LEU 24 2HB LEU 24 0.647 9.824 5.018 146 HG LEU 24 HG LEU 24 -0.623 10.114 2.296 147 HD11 LEU 24 1HD1 LEU 24 -2.147 10.717 4.147 148 HD12 LEU 24 2HD1 LEU 24 -1.685 12.098 3.153 149 HD13 LEU 24 3HD1 LEU 24 -0.939 11.860 4.733 150 HD21 LEU 24 3HD2 LEU 24 1.678 11.376 3.676 151 HD22 LEU 24 1HD2 LEU 24 0.635 12.419 2.709 152 HD23 LEU 24 2HD2 LEU 24 1.430 11.032 1.964 153 H SER 25 H SER 25 2.395 8.415 5.773 154 HA SER 25 HA SER 25 2.631 5.586 6.142 155 HB2 SER 25 1HB SER 25 4.273 7.323 6.982 156 HB3 SER 25 2HB SER 25 3.089 7.728 8.225 157 HG SER 25 HG SER 25 4.885 5.853 8.350 158 H ALA 26 H ALA 26 0.646 8.146 7.568 159 HA ALA 26 HA ALA 26 -0.603 6.734 9.590 160 HB1 ALA 26 3HB ALA 26 -2.023 8.747 7.863 161 HB2 ALA 26 1HB ALA 26 -2.292 8.388 9.569 162 HB3 ALA 26 2HB ALA 26 -0.809 9.196 9.061 163 H HIS 27 H HIS 27 -1.398 6.851 6.146 164 HA HIS 27 HA HIS 27 -3.804 5.391 6.293 165 HB2 HIS 27 1HB HIS 27 -1.830 5.875 4.069 166 HB3 HIS 27 2HB HIS 27 -3.270 4.890 3.831 167 HD2 HIS 27 HD2 HIS 27 -4.955 7.238 5.846 168 HE1 HIS 27 HE1 HIS 27 -4.448 9.464 2.270 169 HE2 HIS 27 HE2 HIS 27 -5.626 9.337 4.493 170 H LEU 28 H LEU 28 -0.442 4.395 5.887 171 HA LEU 28 HA LEU 28 -0.949 1.670 5.357 172 HB2 LEU 28 1HB LEU 28 1.189 2.574 4.837 173 HB3 LEU 28 2HB LEU 28 1.438 3.101 6.500 174 HG LEU 28 HG LEU 28 1.588 0.734 7.193 175 HD11 LEU 28 1HD1 LEU 28 0.633 -0.742 5.816 176 HD12 LEU 28 2HD1 LEU 28 2.140 -0.658 4.905 177 HD13 LEU 28 3HD1 LEU 28 0.762 0.331 4.422 178 HD21 LEU 28 3HD2 LEU 28 3.699 1.552 6.951 179 HD22 LEU 28 1HD2 LEU 28 3.456 1.994 5.261 180 HD23 LEU 28 2HD2 LEU 28 3.737 0.309 5.700 181 H ASN 29 H ASN 29 -0.175 3.380 8.377 182 HA ASN 29 HA ASN 29 -0.094 1.221 10.104 183 HB2 ASN 29 1HB ASN 29 -1.051 4.050 10.563 184 HB3 ASN 29 2HB ASN 29 -0.851 2.878 11.863 185 HD21 ASN 29 1HD2 ASN 29 0.509 5.431 11.317 186 HD22 ASN 29 2HD2 ASN 29 2.195 5.056 11.276 187 H GLN 30 H GLN 30 -2.922 3.213 9.253 188 HA GLN 30 HA GLN 30 -4.827 1.914 10.784 189 HB2 GLN 30 1HB GLN 30 -4.894 3.513 8.278 190 HB3 GLN 30 2HB GLN 30 -6.335 2.591 8.686 191 HG2 GLN 30 1HG GLN 30 -6.316 4.962 9.477 192 HG3 GLN 30 2HG GLN 30 -6.616 3.753 10.725 193 HE21 GLN 30 1HE2 GLN 30 -5.033 3.347 12.272 194 HE22 GLN 30 2HE2 GLN 30 -3.727 4.442 12.556 195 H HIS 31 H HIS 31 -3.439 1.001 7.697 196 HA HIS 31 HA HIS 31 -5.305 -1.057 7.096 197 HB2 HIS 31 1HB HIS 31 -3.976 -0.120 5.319 198 HB3 HIS 31 2HB HIS 31 -2.481 -0.563 6.137 199 HD1 HIS 31 HD1 HIS 31 -5.549 -2.435 4.860 200 HD2 HIS 31 HD2 HIS 31 -1.415 -2.794 5.069 201 HE1 HIS 31 HE1 HIS 31 -5.002 -4.595 3.694 202 H LEU 32 H LEU 32 -1.943 -1.219 8.282 203 HA LEU 32 HA LEU 32 -1.620 -3.874 8.674 204 HB2 LEU 32 1HB LEU 32 -0.854 -1.755 10.677 205 HB3 LEU 32 2HB LEU 32 -0.141 -3.361 10.538 206 HG LEU 32 HG LEU 32 -0.000 -1.379 8.285 207 HD11 LEU 32 1HD1 LEU 32 2.217 -1.717 10.260 208 HD12 LEU 32 2HD1 LEU 32 0.932 -0.546 10.556 209 HD13 LEU 32 3HD1 LEU 32 1.929 -0.413 9.108 210 HD21 LEU 32 3HD2 LEU 32 0.515 -3.908 8.102 211 HD22 LEU 32 1HD2 LEU 32 1.986 -3.505 8.989 212 HD23 LEU 32 2HD2 LEU 32 1.663 -2.749 7.428 213 H ARG 33 H ARG 33 -3.773 -1.790 10.419 214 HA ARG 33 HA ARG 33 -4.235 -3.067 12.781 215 HB2 ARG 33 1HB ARG 33 -6.331 -1.950 10.909 216 HB3 ARG 33 2HB ARG 33 -6.578 -2.295 12.615 217 HG2 ARG 33 1HG ARG 33 -4.355 -0.477 11.851 218 HG3 ARG 33 2HG ARG 33 -6.011 0.127 11.768 219 HD2 ARG 33 1HD ARG 33 -6.320 -0.006 14.033 220 HD3 ARG 33 2HD ARG 33 -5.159 -1.320 14.222 221 HE ARG 33 HE ARG 33 -4.606 1.515 14.264 222 HH11 ARG 33 1HH1 ARG 33 -3.305 -1.693 13.896 223 HH12 ARG 33 2HH1 ARG 33 -1.692 -1.229 14.325 224 HH21 ARG 33 1HH2 ARG 33 -2.487 2.138 14.830 225 HH22 ARG 33 2HH2 ARG 33 -1.228 0.951 14.857 226 H VAL 34 H VAL 34 -5.665 -3.927 9.640 227 HA VAL 34 HA VAL 34 -7.285 -6.020 10.427 228 HB VAL 34 HB VAL 34 -7.167 -6.862 8.179 229 HG11 VAL 34 1HG1 VAL 34 -8.417 -5.106 7.643 230 HG12 VAL 34 2HG1 VAL 34 -7.551 -4.084 8.791 231 HG13 VAL 34 3HG1 VAL 34 -6.950 -4.265 7.143 232 HG21 VAL 34 3HG2 VAL 34 -4.661 -5.205 7.941 233 HG22 VAL 34 1HG2 VAL 34 -4.805 -6.959 7.822 234 HG23 VAL 34 2HG2 VAL 34 -5.498 -5.930 6.568 235 H HIS 35 H HIS 35 -3.810 -5.980 9.912 236 HA HIS 35 HA HIS 35 -3.587 -8.848 10.304 237 HB2 HIS 35 1HB HIS 35 -1.344 -6.834 10.107 238 HB3 HIS 35 2HB HIS 35 -1.249 -8.574 9.850 239 HD1 HIS 35 HD1 HIS 35 -3.235 -9.221 7.811 240 HD2 HIS 35 HD2 HIS 35 -1.167 -5.619 7.713 241 HE1 HIS 35 HE1 HIS 35 -3.370 -8.433 5.427 242 H THR 36 H THR 36 -4.773 -7.685 12.486 243 HA THR 36 HA THR 36 -2.670 -7.448 14.517 244 HB THR 36 HB THR 36 -4.454 -5.705 14.443 245 HG1 THR 36 HG1 THR 36 -3.398 -6.076 16.408 246 HG21 THR 36 3HG2 THR 36 -6.362 -7.011 13.791 247 HG22 THR 36 1HG2 THR 36 -6.678 -6.338 15.390 248 HG23 THR 36 2HG2 THR 36 -6.212 -8.031 15.222 249 H GLN 37 H GLN 37 -5.348 -9.457 13.512 250 HA GLN 37 HA GLN 37 -4.940 -11.206 15.834 251 HB2 GLN 37 1HB GLN 37 -7.210 -10.813 13.917 252 HB3 GLN 37 2HB GLN 37 -7.063 -12.326 14.802 253 HG2 GLN 37 1HG GLN 37 -7.126 -11.106 16.911 254 HG3 GLN 37 2HG GLN 37 -7.260 -9.585 16.030 255 HE21 GLN 37 1HE2 GLN 37 -9.041 -11.142 17.935 256 HE22 GLN 37 2HE2 GLN 37 -10.575 -11.165 17.141 257 H GLU 38 H GLU 38 -4.885 -13.534 15.477 258 HA GLU 38 HA GLU 38 -2.895 -14.408 13.841 259 HB2 GLU 38 1HB GLU 38 -3.768 -16.669 14.119 260 HB3 GLU 38 2HB GLU 38 -3.886 -15.770 15.625 261 HG2 GLU 38 1HG GLU 38 -6.140 -16.268 13.693 262 HG3 GLU 38 2HG GLU 38 -5.874 -17.117 15.215 263 H THR 39 H THR 39 -2.855 -15.669 11.883 264 HA THR 39 HA THR 39 -5.147 -15.278 10.093 265 HB THR 39 HB THR 39 -3.613 -14.636 8.245 266 HG1 THR 39 HG1 THR 39 -1.677 -14.139 10.264 267 HG21 THR 39 3HG2 THR 39 -3.079 -12.312 9.201 268 HG22 THR 39 1HG2 THR 39 -3.837 -12.893 10.682 269 HG23 THR 39 2HG2 THR 39 -4.766 -12.823 9.185 270 H LEU 40 H LEU 40 -5.326 -16.790 8.417 271 HA LEU 40 HA LEU 40 -5.234 -18.884 7.531 272 HB2 LEU 40 1HB LEU 40 -3.093 -17.868 6.707 273 HB3 LEU 40 2HB LEU 40 -2.274 -18.668 8.047 274 HG LEU 40 HG LEU 40 -3.333 -20.829 7.005 275 HD11 LEU 40 1HD1 LEU 40 -3.031 -20.250 4.378 276 HD12 LEU 40 2HD1 LEU 40 -3.792 -18.771 4.962 277 HD13 LEU 40 3HD1 LEU 40 -4.584 -20.327 5.211 278 HD21 LEU 40 3HD2 LEU 40 -1.266 -21.305 6.171 279 HD22 LEU 40 1HD2 LEU 40 -0.866 -19.870 7.115 280 HD23 LEU 40 2HD2 LEU 40 -1.103 -19.740 5.372 281 H SER 41 H SER 41 -5.840 -18.811 10.255 282 HA SER 41 HA SER 41 -4.528 -20.227 12.103 283 HB2 SER 41 1HB SER 41 -7.430 -20.472 11.312 284 HB3 SER 41 2HB SER 41 -6.771 -21.286 12.731 285 HG SER 41 HG SER 41 -7.640 -18.838 12.611 286 H GLY 42 H GLY 42 -4.147 -22.380 12.669 287 HA2 GLY 42 1HA GLY 42 -3.438 -24.111 10.577 288 HA3 GLY 42 2HA GLY 42 -3.558 -24.562 12.271 289 HA PRO 43 HA PRO 43 -7.230 -26.862 11.612 290 HB2 PRO 43 1HB PRO 43 -8.999 -25.972 13.469 291 HB3 PRO 43 2HB PRO 43 -7.577 -26.937 13.882 292 HG2 PRO 43 1HG PRO 43 -7.971 -23.974 14.051 293 HG3 PRO 43 2HG PRO 43 -7.201 -25.068 15.215 294 HD2 PRO 43 1HD PRO 43 -5.778 -23.528 13.502 295 HD3 PRO 43 2HD PRO 43 -5.218 -25.124 14.041 296 H SER 44 H SER 44 -8.574 -26.744 9.938 297 HA SER 44 HA SER 44 -9.456 -24.391 8.741 298 HB2 SER 44 1HB SER 44 -9.361 -26.633 7.639 299 HB3 SER 44 2HB SER 44 -10.797 -27.098 8.550 300 HG SER 44 HG SER 44 -10.765 -24.786 6.931 301 H SER 45 H SER 45 -10.908 -22.949 9.362 302 HA SER 45 HA SER 45 -13.473 -23.685 10.376 303 HB2 SER 45 1HB SER 45 -13.200 -22.410 12.550 304 HB3 SER 45 2HB SER 45 -12.364 -23.962 12.476 305 HG SER 45 HG SER 45 -10.748 -22.744 13.112 306 H GLY 46 H GLY 46 -14.931 -22.130 9.929 307 HA2 GLY 46 1HA GLY 46 -15.398 -19.683 9.991 308 HA3 GLY 46 2HA GLY 46 -13.866 -19.483 9.154
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