NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505701 | 2ytn | 11168 | 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 -37.995 10.841 -4.416 2 HA2 GLY 1 1HA GLY 1 -39.070 10.764 -7.093 3 HA3 GLY 1 2HA GLY 1 -39.262 12.322 -6.304 4 H SER 2 H SER 2 -36.623 9.928 -6.350 5 HA SER 2 HA SER 2 -34.909 11.625 -7.891 6 HB2 SER 2 1HB SER 2 -33.192 11.886 -6.060 7 HB3 SER 2 2HB SER 2 -34.654 12.847 -5.842 8 HG SER 2 HG SER 2 -35.392 11.294 -4.370 9 H SER 3 H SER 3 -33.011 10.589 -8.550 10 HA SER 3 HA SER 3 -33.120 7.828 -8.835 11 HB2 SER 3 1HB SER 3 -31.795 9.183 -10.342 12 HB3 SER 3 2HB SER 3 -30.738 9.685 -9.023 13 HG SER 3 HG SER 3 -30.853 7.262 -10.396 14 H GLY 4 H GLY 4 -32.911 6.286 -7.361 15 HA2 GLY 4 1HA GLY 4 -31.654 6.807 -4.818 16 HA3 GLY 4 2HA GLY 4 -32.425 5.309 -5.315 17 H SER 5 H SER 5 -29.697 6.199 -4.116 18 HA SER 5 HA SER 5 -27.868 5.041 -6.061 19 HB2 SER 5 1HB SER 5 -26.107 5.665 -4.472 20 HB3 SER 5 2HB SER 5 -27.170 7.036 -4.790 21 HG SER 5 HG SER 5 -28.294 5.992 -2.783 22 H SER 6 H SER 6 -26.342 3.346 -5.379 23 HA SER 6 HA SER 6 -26.792 1.702 -3.139 24 HB2 SER 6 1HB SER 6 -27.781 -0.269 -4.285 25 HB3 SER 6 2HB SER 6 -28.881 1.108 -4.239 26 HG SER 6 HG SER 6 -28.791 0.107 -6.309 27 H GLY 7 H GLY 7 -25.247 0.087 -2.950 28 HA2 GLY 7 1HA GLY 7 -23.508 -1.314 -3.692 29 HA3 GLY 7 2HA GLY 7 -23.536 -0.490 -5.244 30 H THR 8 H THR 8 -21.884 -0.853 -2.360 31 HA THR 8 HA THR 8 -20.663 1.786 -2.381 32 HB THR 8 HB THR 8 -20.098 -0.611 -0.625 33 HG1 THR 8 HG1 THR 8 -21.528 1.801 -0.099 34 HG21 THR 8 3HG2 THR 8 -18.133 0.707 -0.634 35 HG22 THR 8 1HG2 THR 8 -19.008 1.166 0.827 36 HG23 THR 8 2HG2 THR 8 -19.051 2.212 -0.593 37 H GLY 9 H GLY 9 -19.644 -1.599 -2.823 38 HA2 GLY 9 1HA GLY 9 -17.909 -1.101 -4.944 39 HA3 GLY 9 2HA GLY 9 -16.955 -0.991 -3.472 40 H LYS 10 H LYS 10 -19.112 -3.119 -5.300 41 HA LYS 10 HA LYS 10 -19.093 -5.448 -3.988 42 HB2 LYS 10 1HB LYS 10 -18.708 -4.861 -6.897 43 HB3 LYS 10 2HB LYS 10 -18.613 -6.527 -6.340 44 HG2 LYS 10 1HG LYS 10 -20.889 -5.963 -5.189 45 HG3 LYS 10 2HG LYS 10 -20.945 -4.675 -6.395 46 HD2 LYS 10 1HD LYS 10 -20.308 -6.651 -8.026 47 HD3 LYS 10 2HD LYS 10 -21.045 -7.630 -6.756 48 HE2 LYS 10 1HE LYS 10 -22.470 -5.216 -7.792 49 HE3 LYS 10 2HE LYS 10 -22.500 -6.714 -8.720 50 HZ1 LYS 10 3HZ LYS 10 -23.522 -6.253 -5.980 51 HZ2 LYS 10 1HZ LYS 10 -23.283 -7.806 -6.609 52 HZ3 LYS 10 2HZ LYS 10 -24.386 -6.756 -7.345 53 H LYS 11 H LYS 11 -16.345 -4.273 -5.912 54 HA LYS 11 HA LYS 11 -14.570 -6.287 -5.820 55 HB2 LYS 11 1HB LYS 11 -13.984 -3.394 -5.166 56 HB3 LYS 11 2HB LYS 11 -12.761 -4.590 -5.576 57 HG2 LYS 11 1HG LYS 11 -13.467 -4.734 -7.788 58 HG3 LYS 11 2HG LYS 11 -15.041 -4.020 -7.431 59 HD2 LYS 11 1HD LYS 11 -14.140 -1.863 -7.230 60 HD3 LYS 11 2HD LYS 11 -12.492 -2.474 -7.069 61 HE2 LYS 11 1HE LYS 11 -12.362 -3.021 -9.354 62 HE3 LYS 11 2HE LYS 11 -14.106 -2.885 -9.569 63 HZ1 LYS 11 3HZ LYS 11 -14.005 -0.648 -9.742 64 HZ2 LYS 11 1HZ LYS 11 -12.434 -0.977 -10.277 65 HZ3 LYS 11 2HZ LYS 11 -12.698 -0.494 -8.678 66 HA PRO 12 HA PRO 12 -13.668 -7.427 -1.677 67 HB2 PRO 12 1HB PRO 12 -11.070 -8.183 -1.901 68 HB3 PRO 12 2HB PRO 12 -12.408 -9.138 -2.551 69 HG2 PRO 12 1HG PRO 12 -10.574 -7.241 -3.964 70 HG3 PRO 12 2HG PRO 12 -11.150 -8.836 -4.483 71 HD2 PRO 12 1HD PRO 12 -12.224 -6.527 -5.405 72 HD3 PRO 12 2HD PRO 12 -13.180 -8.008 -5.197 73 H TYR 13 H TYR 13 -10.973 -5.583 -3.124 74 HA TYR 13 HA TYR 13 -11.082 -3.640 -0.996 75 HB2 TYR 13 1HB TYR 13 -8.531 -5.219 -1.333 76 HB3 TYR 13 2HB TYR 13 -8.877 -3.988 -0.124 77 HD1 TYR 13 HD1 TYR 13 -10.320 -4.490 1.787 78 HD2 TYR 13 HD2 TYR 13 -9.344 -7.478 -1.081 79 HE1 TYR 13 HE1 TYR 13 -11.099 -6.229 3.342 80 HE2 TYR 13 HE2 TYR 13 -10.121 -9.225 0.466 81 HH TYR 13 HH TYR 13 -10.334 -9.217 3.292 82 H LYS 14 H LYS 14 -10.784 -1.745 -1.940 83 HA LYS 14 HA LYS 14 -8.971 -1.593 -4.260 84 HB2 LYS 14 1HB LYS 14 -11.415 -1.318 -4.794 85 HB3 LYS 14 2HB LYS 14 -11.409 0.131 -3.797 86 HG2 LYS 14 1HG LYS 14 -9.393 0.768 -5.394 87 HG3 LYS 14 2HG LYS 14 -10.238 -0.339 -6.479 88 HD2 LYS 14 1HD LYS 14 -11.229 1.678 -7.007 89 HD3 LYS 14 2HD LYS 14 -12.342 1.044 -5.793 90 HE2 LYS 14 1HE LYS 14 -10.819 2.345 -4.125 91 HE3 LYS 14 2HE LYS 14 -10.328 3.241 -5.562 92 HZ1 LYS 14 3HZ LYS 14 -12.095 4.467 -4.780 93 HZ2 LYS 14 1HZ LYS 14 -12.972 3.112 -4.274 94 HZ3 LYS 14 2HZ LYS 14 -12.858 3.479 -5.921 95 H CYS 15 H CYS 15 -7.761 0.335 -4.515 96 HA CYS 15 HA CYS 15 -7.109 1.600 -1.976 97 HB2 CYS 15 1HB CYS 15 -5.400 0.681 -3.671 98 HB3 CYS 15 2HB CYS 15 -5.745 2.131 -4.607 99 H ASN 16 H ASN 16 -8.423 3.237 -1.447 100 HA ASN 16 HA ASN 16 -9.825 4.868 -3.248 101 HB2 ASN 16 1HB ASN 16 -9.033 5.793 -0.498 102 HB3 ASN 16 2HB ASN 16 -10.526 6.106 -1.379 103 HD21 ASN 16 1HD2 ASN 16 -10.253 5.101 1.286 104 HD22 ASN 16 2HD2 ASN 16 -10.989 3.538 1.317 105 H GLU 17 H GLU 17 -6.554 4.790 -2.584 106 HA GLU 17 HA GLU 17 -6.041 7.617 -2.895 107 HB2 GLU 17 1HB GLU 17 -4.214 5.216 -2.773 108 HB3 GLU 17 2HB GLU 17 -3.637 6.866 -2.964 109 HG2 GLU 17 1HG GLU 17 -4.150 7.447 -0.818 110 HG3 GLU 17 2HG GLU 17 -5.446 6.258 -0.688 111 H CYS 18 H CYS 18 -5.377 4.682 -4.803 112 HA CYS 18 HA CYS 18 -5.122 6.396 -7.186 113 HB2 CYS 18 1HB CYS 18 -3.847 4.454 -8.162 114 HB3 CYS 18 2HB CYS 18 -3.056 5.253 -6.807 115 H GLY 19 H GLY 19 -6.294 3.222 -6.080 116 HA2 GLY 19 1HA GLY 19 -8.711 2.856 -6.725 117 HA3 GLY 19 2HA GLY 19 -8.177 3.237 -8.355 118 H LYS 20 H LYS 20 -5.685 1.630 -6.953 119 HA LYS 20 HA LYS 20 -6.019 -0.688 -8.522 120 HB2 LYS 20 1HB LYS 20 -3.879 0.412 -7.447 121 HB3 LYS 20 2HB LYS 20 -4.233 -0.690 -6.123 122 HG2 LYS 20 1HG LYS 20 -3.928 -2.585 -7.476 123 HG3 LYS 20 2HG LYS 20 -3.987 -1.633 -8.961 124 HD2 LYS 20 1HD LYS 20 -1.892 -0.480 -8.182 125 HD3 LYS 20 2HD LYS 20 -1.805 -1.671 -6.882 126 HE2 LYS 20 1HE LYS 20 -0.419 -2.525 -8.568 127 HE3 LYS 20 2HE LYS 20 -1.922 -3.435 -8.720 128 HZ1 LYS 20 3HZ LYS 20 -0.635 -1.853 -10.651 129 HZ2 LYS 20 1HZ LYS 20 -2.145 -1.165 -10.320 130 HZ3 LYS 20 2HZ LYS 20 -2.041 -2.779 -10.815 131 H VAL 21 H VAL 21 -6.676 -2.744 -8.037 132 HA VAL 21 HA VAL 21 -8.024 -3.084 -5.440 133 HB VAL 21 HB VAL 21 -8.624 -4.541 -8.017 134 HG11 VAL 21 1HG1 VAL 21 -10.530 -4.393 -5.748 135 HG12 VAL 21 2HG1 VAL 21 -10.258 -5.685 -6.919 136 HG13 VAL 21 3HG1 VAL 21 -9.136 -5.459 -5.577 137 HG21 VAL 21 3HG2 VAL 21 -10.459 -2.531 -6.791 138 HG22 VAL 21 1HG2 VAL 21 -9.124 -1.983 -7.805 139 HG23 VAL 21 2HG2 VAL 21 -10.343 -3.074 -8.465 140 H PHE 22 H PHE 22 -7.657 -4.898 -4.229 141 HA PHE 22 HA PHE 22 -5.793 -6.902 -5.288 142 HB2 PHE 22 1HB PHE 22 -5.524 -5.866 -2.475 143 HB3 PHE 22 2HB PHE 22 -4.368 -6.805 -3.414 144 HD1 PHE 22 HD2 PHE 22 -6.075 -3.498 -3.385 145 HD2 PHE 22 HD1 PHE 22 -2.616 -5.732 -4.461 146 HE1 PHE 22 HE2 PHE 22 -4.949 -1.420 -4.068 147 HE2 PHE 22 HE1 PHE 22 -1.484 -3.657 -5.144 148 HZ PHE 22 HZ PHE 22 -2.651 -1.497 -4.949 149 H THR 23 H THR 23 -6.869 -8.756 -5.241 150 HA THR 23 HA THR 23 -9.174 -9.461 -4.083 151 HB THR 23 HB THR 23 -6.805 -11.339 -4.094 152 HG1 THR 23 HG1 THR 23 -6.903 -11.232 -6.198 153 HG21 THR 23 3HG2 THR 23 -9.652 -12.076 -4.658 154 HG22 THR 23 1HG2 THR 23 -9.087 -11.937 -2.994 155 HG23 THR 23 2HG2 THR 23 -8.327 -13.091 -4.090 156 H GLN 24 H GLN 24 -6.030 -9.567 -2.447 157 HA GLN 24 HA GLN 24 -7.412 -10.113 0.087 158 HB2 GLN 24 1HB GLN 24 -4.608 -10.578 -0.867 159 HB3 GLN 24 2HB GLN 24 -4.945 -10.471 0.856 160 HG2 GLN 24 1HG GLN 24 -6.739 -12.256 0.397 161 HG3 GLN 24 2HG GLN 24 -5.879 -12.511 -1.120 162 HE21 GLN 24 1HE2 GLN 24 -6.264 -14.129 1.403 163 HE22 GLN 24 2HE2 GLN 24 -4.667 -14.624 1.835 164 H ASN 25 H ASN 25 -7.548 -8.597 1.615 165 HA ASN 25 HA ASN 25 -7.003 -5.928 1.180 166 HB2 ASN 25 1HB ASN 25 -8.452 -6.196 2.938 167 HB3 ASN 25 2HB ASN 25 -7.570 -7.571 3.596 168 HD21 ASN 25 1HD2 ASN 25 -7.654 -4.085 3.337 169 HD22 ASN 25 2HD2 ASN 25 -6.654 -3.767 4.710 170 H SER 26 H SER 26 -5.017 -8.320 2.889 171 HA SER 26 HA SER 26 -3.012 -6.764 3.895 172 HB2 SER 26 1HB SER 26 -2.814 -9.478 2.576 173 HB3 SER 26 2HB SER 26 -1.488 -8.733 3.469 174 HG SER 26 HG SER 26 -2.690 -8.827 5.324 175 H HIS 27 H HIS 27 -3.292 -7.957 0.567 176 HA HIS 27 HA HIS 27 -0.865 -6.944 -0.398 177 HB2 HIS 27 1HB HIS 27 -3.447 -7.775 -1.643 178 HB3 HIS 27 2HB HIS 27 -2.297 -6.879 -2.632 179 HD2 HIS 27 HD2 HIS 27 -1.225 -9.702 -0.105 180 HE1 HIS 27 HE1 HIS 27 -0.282 -10.925 -4.056 181 HE2 HIS 27 HE2 HIS 27 -0.174 -11.523 -1.612 182 H LEU 28 H LEU 28 -4.023 -5.447 -0.016 183 HA LEU 28 HA LEU 28 -3.354 -3.060 -1.439 184 HB2 LEU 28 1HB LEU 28 -5.641 -3.582 -1.331 185 HB3 LEU 28 2HB LEU 28 -5.585 -3.837 0.412 186 HG LEU 28 HG LEU 28 -5.281 -1.411 0.731 187 HD11 LEU 28 1HD1 LEU 28 -5.921 -1.077 -2.182 188 HD12 LEU 28 2HD1 LEU 28 -4.261 -1.113 -1.587 189 HD13 LEU 28 3HD1 LEU 28 -5.372 0.135 -1.024 190 HD21 LEU 28 3HD2 LEU 28 -7.603 -0.789 -0.241 191 HD22 LEU 28 1HD2 LEU 28 -7.491 -2.047 0.991 192 HD23 LEU 28 2HD2 LEU 28 -7.673 -2.489 -0.707 193 H ALA 29 H ALA 29 -3.887 -3.705 2.031 194 HA ALA 29 HA ALA 29 -3.214 -1.300 3.112 195 HB1 ALA 29 3HB ALA 29 -3.858 -2.775 4.724 196 HB2 ALA 29 1HB ALA 29 -2.910 -4.100 4.049 197 HB3 ALA 29 2HB ALA 29 -2.114 -2.827 4.976 198 H ARG 30 H ARG 30 -0.924 -3.891 2.263 199 HA ARG 30 HA ARG 30 1.392 -2.442 3.009 200 HB2 ARG 30 1HB ARG 30 2.640 -4.186 1.933 201 HB3 ARG 30 2HB ARG 30 1.268 -4.925 2.749 202 HG2 ARG 30 1HG ARG 30 0.093 -5.171 0.672 203 HG3 ARG 30 2HG ARG 30 1.342 -4.268 -0.187 204 HD2 ARG 30 1HD ARG 30 2.924 -6.115 0.757 205 HD3 ARG 30 2HD ARG 30 1.431 -7.034 0.939 206 HE ARG 30 HE ARG 30 1.276 -6.217 -1.609 207 HH11 ARG 30 1HH1 ARG 30 3.845 -7.717 0.200 208 HH12 ARG 30 2HH1 ARG 30 4.516 -8.528 -1.176 209 HH21 ARG 30 1HH2 ARG 30 2.151 -7.280 -3.428 210 HH22 ARG 30 2HH2 ARG 30 3.552 -8.278 -3.239 211 H HIS 31 H HIS 31 -0.428 -2.716 0.020 212 HA HIS 31 HA HIS 31 1.460 -1.512 -1.693 213 HB2 HIS 31 1HB HIS 31 -0.177 -2.533 -2.926 214 HB3 HIS 31 2HB HIS 31 -1.455 -2.088 -1.798 215 HD1 HIS 31 HD1 HIS 31 0.449 -0.801 -4.757 216 HD2 HIS 31 HD2 HIS 31 -2.731 0.331 -2.334 217 HE1 HIS 31 HE1 HIS 31 -0.631 1.145 -5.929 218 H ARG 32 H ARG 32 -1.367 -0.137 -0.017 219 HA ARG 32 HA ARG 32 -1.408 2.422 -0.802 220 HB2 ARG 32 1HB ARG 32 -1.461 1.553 2.094 221 HB3 ARG 32 2HB ARG 32 -2.083 3.074 1.470 222 HG2 ARG 32 1HG ARG 32 -3.836 2.000 0.316 223 HG3 ARG 32 2HG ARG 32 -3.104 0.409 0.538 224 HD2 ARG 32 1HD ARG 32 -4.694 0.343 2.178 225 HD3 ARG 32 2HD ARG 32 -3.350 1.031 3.087 226 HE ARG 32 HE ARG 32 -5.094 2.972 1.855 227 HH11 ARG 32 1HH1 ARG 32 -4.432 1.054 4.683 228 HH12 ARG 32 2HH1 ARG 32 -5.311 2.093 5.755 229 HH21 ARG 32 1HH2 ARG 32 -6.255 4.349 3.255 230 HH22 ARG 32 2HH2 ARG 32 -6.348 3.967 4.941 231 H GLY 33 H GLY 33 1.160 0.927 1.016 232 HA2 GLY 33 1HA GLY 33 2.478 3.114 2.083 233 HA3 GLY 33 2HA GLY 33 3.280 1.658 1.512 234 H ILE 34 H ILE 34 2.807 1.770 -1.192 235 HA ILE 34 HA ILE 34 4.847 3.287 -2.186 236 HB ILE 34 HB ILE 34 3.916 3.024 -4.389 237 HG12 ILE 34 1HG1 ILE 34 1.350 1.911 -3.350 238 HG13 ILE 34 2HG1 ILE 34 1.532 3.661 -3.401 239 HG21 ILE 34 1HG2 ILE 34 2.952 0.503 -3.868 240 HG22 ILE 34 2HG2 ILE 34 4.647 0.938 -4.076 241 HG23 ILE 34 3HG2 ILE 34 3.953 0.846 -2.458 242 HD11 ILE 34 3HD1 ILE 34 1.257 1.715 -5.598 243 HD12 ILE 34 1HD1 ILE 34 0.653 3.365 -5.454 244 HD13 ILE 34 2HD1 ILE 34 2.342 3.077 -5.875 245 H HIS 35 H HIS 35 1.750 4.382 -1.184 246 HA HIS 35 HA HIS 35 1.907 6.881 -2.653 247 HB2 HIS 35 1HB HIS 35 -0.083 5.839 -0.630 248 HB3 HIS 35 2HB HIS 35 -0.207 7.415 -1.406 249 HD1 HIS 35 HD1 HIS 35 0.122 6.962 -4.269 250 HD2 HIS 35 HD2 HIS 35 -1.772 4.150 -1.868 251 HE1 HIS 35 HE1 HIS 35 -1.295 5.591 -5.830 252 H THR 36 H THR 36 1.470 6.126 0.807 253 HA THR 36 HA THR 36 2.141 8.604 1.820 254 HB THR 36 HB THR 36 2.835 7.369 3.913 255 HG1 THR 36 HG1 THR 36 1.934 5.046 2.560 256 HG21 THR 36 3HG2 THR 36 0.213 7.066 2.535 257 HG22 THR 36 1HG2 THR 36 0.616 7.943 4.010 258 HG23 THR 36 2HG2 THR 36 0.473 6.186 4.041 259 H GLY 37 H GLY 37 4.066 9.391 2.865 260 HA2 GLY 37 1HA GLY 37 6.386 9.465 3.239 261 HA3 GLY 37 2HA GLY 37 6.582 8.092 2.159 262 H GLU 38 H GLU 38 8.401 9.819 1.680 263 HA GLU 38 HA GLU 38 9.322 11.307 0.219 264 HB2 GLU 38 1HB GLU 38 7.121 10.157 -1.500 265 HB3 GLU 38 2HB GLU 38 8.404 11.188 -2.117 266 HG2 GLU 38 1HG GLU 38 10.066 9.544 -1.382 267 HG3 GLU 38 2HG GLU 38 8.765 8.504 -0.804 268 H LYS 39 H LYS 39 7.716 12.572 2.015 269 HA LYS 39 HA LYS 39 6.475 14.685 0.381 270 HB2 LYS 39 1HB LYS 39 4.728 13.407 1.517 271 HB3 LYS 39 2HB LYS 39 5.531 13.654 3.062 272 HG2 LYS 39 1HG LYS 39 3.771 15.196 3.022 273 HG3 LYS 39 2HG LYS 39 5.219 16.139 2.662 274 HD2 LYS 39 1HD LYS 39 4.695 16.163 0.321 275 HD3 LYS 39 2HD LYS 39 3.360 15.033 0.560 276 HE2 LYS 39 1HE LYS 39 2.390 16.819 2.125 277 HE3 LYS 39 2HE LYS 39 3.560 17.913 1.387 278 HZ1 LYS 39 3HZ LYS 39 1.130 17.575 0.428 279 HZ2 LYS 39 1HZ LYS 39 1.905 16.335 -0.422 280 HZ3 LYS 39 2HZ LYS 39 2.451 17.929 -0.568 281 HA PRO 40 HA PRO 40 9.889 16.448 2.981 282 HB2 PRO 40 1HB PRO 40 10.930 17.972 0.990 283 HB3 PRO 40 2HB PRO 40 11.387 16.284 1.246 284 HG2 PRO 40 1HG PRO 40 9.444 17.443 -0.713 285 HG3 PRO 40 2HG PRO 40 10.660 16.176 -0.960 286 HD2 PRO 40 1HD PRO 40 8.036 15.624 -0.580 287 HD3 PRO 40 2HD PRO 40 9.330 14.543 -0.024 288 H SER 41 H SER 41 10.271 18.706 3.535 289 HA SER 41 HA SER 41 7.907 20.380 2.998 290 HB2 SER 41 1HB SER 41 9.650 20.124 5.446 291 HB3 SER 41 2HB SER 41 8.584 21.507 5.200 292 HG SER 41 HG SER 41 7.956 18.832 5.706 293 H GLY 42 H GLY 42 8.958 21.188 1.075 294 HA2 GLY 42 1HA GLY 42 10.088 22.831 -0.061 295 HA3 GLY 42 2HA GLY 42 10.257 23.653 1.483 296 HA PRO 43 HA PRO 43 14.508 22.561 0.088 297 HB2 PRO 43 1HB PRO 43 15.616 24.893 0.927 298 HB3 PRO 43 2HB PRO 43 14.844 24.709 -0.652 299 HG2 PRO 43 1HG PRO 43 13.743 25.890 1.869 300 HG3 PRO 43 2HG PRO 43 13.603 26.481 0.203 301 HD2 PRO 43 1HD PRO 43 11.611 25.126 1.440 302 HD3 PRO 43 2HD PRO 43 11.900 25.013 -0.308 303 H SER 44 H SER 44 16.308 21.997 1.336 304 HA SER 44 HA SER 44 15.737 21.656 4.171 305 HB2 SER 44 1HB SER 44 16.504 19.668 3.098 306 HB3 SER 44 2HB SER 44 17.855 20.515 2.345 307 HG SER 44 HG SER 44 17.501 19.843 5.069 308 H SER 45 H SER 45 18.513 22.750 2.214 309 HA SER 45 HA SER 45 20.117 24.318 2.596 310 HB2 SER 45 1HB SER 45 18.004 25.690 3.135 311 HB3 SER 45 2HB SER 45 18.428 25.435 4.828 312 HG SER 45 HG SER 45 19.961 26.857 4.638 313 H GLY 46 H GLY 46 20.405 21.836 3.830 314 HA2 GLY 46 1HA GLY 46 22.060 22.613 6.121 315 HA3 GLY 46 2HA GLY 46 20.856 21.357 6.365 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -28.222 5.953 0.710 2 HA2 GLY 1 1HA GLY 1 -30.454 5.350 -0.812 3 HA3 GLY 1 2HA GLY 1 -29.948 6.982 -0.401 4 H SER 2 H SER 2 -28.269 4.612 -2.425 5 HA SER 2 HA SER 2 -28.914 6.148 -4.819 6 HB2 SER 2 1HB SER 2 -26.052 5.616 -3.984 7 HB3 SER 2 2HB SER 2 -26.576 6.415 -5.466 8 HG SER 2 HG SER 2 -26.531 8.180 -4.344 9 H SER 3 H SER 3 -28.215 5.052 -6.807 10 HA SER 3 HA SER 3 -28.161 2.132 -6.427 11 HB2 SER 3 1HB SER 3 -29.450 3.874 -8.507 12 HB3 SER 3 2HB SER 3 -29.055 2.196 -8.876 13 HG SER 3 HG SER 3 -30.843 3.214 -6.947 14 H GLY 4 H GLY 4 -27.138 4.616 -8.781 15 HA2 GLY 4 1HA GLY 4 -25.427 4.512 -10.352 16 HA3 GLY 4 2HA GLY 4 -24.486 4.272 -8.887 17 H SER 5 H SER 5 -26.759 2.149 -10.615 18 HA SER 5 HA SER 5 -24.827 -0.018 -10.426 19 HB2 SER 5 1HB SER 5 -27.330 -0.251 -9.925 20 HB3 SER 5 2HB SER 5 -27.571 -0.181 -11.670 21 HG SER 5 HG SER 5 -25.935 -2.056 -10.302 22 H SER 6 H SER 6 -23.948 1.985 -12.106 23 HA SER 6 HA SER 6 -24.330 0.848 -14.797 24 HB2 SER 6 1HB SER 6 -24.980 3.225 -14.578 25 HB3 SER 6 2HB SER 6 -23.345 3.611 -14.042 26 HG SER 6 HG SER 6 -22.590 2.892 -16.072 27 H GLY 7 H GLY 7 -22.736 -0.465 -15.377 28 HA2 GLY 7 1HA GLY 7 -20.505 -0.844 -16.066 29 HA3 GLY 7 2HA GLY 7 -19.972 0.399 -14.945 30 H THR 8 H THR 8 -18.740 -0.423 -13.404 31 HA THR 8 HA THR 8 -19.600 -2.905 -12.090 32 HB THR 8 HB THR 8 -17.825 -3.538 -13.651 33 HG1 THR 8 HG1 THR 8 -16.968 -4.797 -12.162 34 HG21 THR 8 3HG2 THR 8 -15.863 -1.869 -12.128 35 HG22 THR 8 1HG2 THR 8 -16.768 -1.159 -13.464 36 HG23 THR 8 2HG2 THR 8 -15.729 -2.556 -13.747 37 H GLY 9 H GLY 9 -18.565 -3.225 -9.957 38 HA2 GLY 9 1HA GLY 9 -17.228 -1.024 -8.697 39 HA3 GLY 9 2HA GLY 9 -18.922 -1.120 -8.238 40 H LYS 10 H LYS 10 -19.363 -3.794 -8.036 41 HA LYS 10 HA LYS 10 -18.634 -4.478 -5.515 42 HB2 LYS 10 1HB LYS 10 -18.906 -6.901 -6.279 43 HB3 LYS 10 2HB LYS 10 -20.265 -5.820 -6.556 44 HG2 LYS 10 1HG LYS 10 -19.391 -5.507 -8.898 45 HG3 LYS 10 2HG LYS 10 -18.271 -6.830 -8.564 46 HD2 LYS 10 1HD LYS 10 -21.222 -7.143 -8.124 47 HD3 LYS 10 2HD LYS 10 -20.507 -7.378 -9.720 48 HE2 LYS 10 1HE LYS 10 -20.426 -9.519 -8.910 49 HE3 LYS 10 2HE LYS 10 -18.849 -8.925 -8.392 50 HZ1 LYS 10 3HZ LYS 10 -21.195 -9.592 -6.803 51 HZ2 LYS 10 1HZ LYS 10 -20.304 -8.248 -6.293 52 HZ3 LYS 10 2HZ LYS 10 -19.553 -9.757 -6.432 53 H LYS 11 H LYS 11 -16.596 -4.241 -4.782 54 HA LYS 11 HA LYS 11 -14.564 -6.024 -5.915 55 HB2 LYS 11 1HB LYS 11 -14.210 -3.082 -5.339 56 HB3 LYS 11 2HB LYS 11 -12.860 -4.191 -5.546 57 HG2 LYS 11 1HG LYS 11 -14.936 -4.076 -7.671 58 HG3 LYS 11 2HG LYS 11 -13.774 -2.752 -7.545 59 HD2 LYS 11 1HD LYS 11 -12.638 -4.145 -8.962 60 HD3 LYS 11 2HD LYS 11 -12.045 -4.741 -7.410 61 HE2 LYS 11 1HE LYS 11 -13.359 -6.649 -7.497 62 HE3 LYS 11 2HE LYS 11 -14.496 -5.935 -8.640 63 HZ1 LYS 11 3HZ LYS 11 -13.046 -6.265 -10.405 64 HZ2 LYS 11 1HZ LYS 11 -12.867 -7.681 -9.497 65 HZ3 LYS 11 2HZ LYS 11 -11.695 -6.465 -9.407 66 HA PRO 12 HA PRO 12 -13.849 -7.101 -1.712 67 HB2 PRO 12 1HB PRO 12 -11.293 -7.997 -1.893 68 HB3 PRO 12 2HB PRO 12 -12.675 -8.903 -2.521 69 HG2 PRO 12 1HG PRO 12 -10.737 -7.150 -3.982 70 HG3 PRO 12 2HG PRO 12 -11.393 -8.729 -4.453 71 HD2 PRO 12 1HD PRO 12 -12.340 -6.400 -5.457 72 HD3 PRO 12 2HD PRO 12 -13.373 -7.822 -5.208 73 H TYR 13 H TYR 13 -11.056 -5.446 -3.201 74 HA TYR 13 HA TYR 13 -11.056 -3.484 -1.064 75 HB2 TYR 13 1HB TYR 13 -8.551 -5.089 -1.580 76 HB3 TYR 13 2HB TYR 13 -8.814 -3.881 -0.327 77 HD1 TYR 13 HD1 TYR 13 -10.339 -4.401 1.580 78 HD2 TYR 13 HD2 TYR 13 -9.189 -7.355 -1.258 79 HE1 TYR 13 HE1 TYR 13 -11.048 -6.166 3.139 80 HE2 TYR 13 HE2 TYR 13 -9.896 -9.128 0.293 81 HH TYR 13 HH TYR 13 -11.355 -9.440 2.191 82 H LYS 14 H LYS 14 -10.979 -1.636 -2.141 83 HA LYS 14 HA LYS 14 -9.210 -1.444 -4.490 84 HB2 LYS 14 1HB LYS 14 -11.461 -1.175 -5.227 85 HB3 LYS 14 2HB LYS 14 -11.838 -0.089 -3.896 86 HG2 LYS 14 1HG LYS 14 -10.050 1.449 -4.932 87 HG3 LYS 14 2HG LYS 14 -10.247 0.447 -6.372 88 HD2 LYS 14 1HD LYS 14 -12.656 0.939 -6.366 89 HD3 LYS 14 2HD LYS 14 -12.432 1.968 -4.949 90 HE2 LYS 14 1HE LYS 14 -10.737 3.246 -6.382 91 HE3 LYS 14 2HE LYS 14 -11.438 2.387 -7.753 92 HZ1 LYS 14 3HZ LYS 14 -13.641 3.276 -6.958 93 HZ2 LYS 14 1HZ LYS 14 -12.575 4.419 -7.605 94 HZ3 LYS 14 2HZ LYS 14 -12.772 4.300 -5.930 95 H CYS 15 H CYS 15 -7.887 0.345 -4.707 96 HA CYS 15 HA CYS 15 -7.229 1.691 -2.233 97 HB2 CYS 15 1HB CYS 15 -5.550 0.769 -3.936 98 HB3 CYS 15 2HB CYS 15 -5.947 2.177 -4.917 99 H ASN 16 H ASN 16 -8.150 3.527 -1.633 100 HA ASN 16 HA ASN 16 -9.728 5.094 -3.434 101 HB2 ASN 16 1HB ASN 16 -10.544 5.018 -1.225 102 HB3 ASN 16 2HB ASN 16 -8.962 5.373 -0.536 103 HD21 ASN 16 1HD2 ASN 16 -8.388 7.436 -0.188 104 HD22 ASN 16 2HD2 ASN 16 -9.366 8.804 -0.583 105 H GLU 17 H GLU 17 -6.501 4.880 -3.150 106 HA GLU 17 HA GLU 17 -5.963 7.744 -3.423 107 HB2 GLU 17 1HB GLU 17 -4.292 5.340 -2.832 108 HB3 GLU 17 2HB GLU 17 -3.522 6.739 -3.568 109 HG2 GLU 17 1HG GLU 17 -3.768 8.032 -1.714 110 HG3 GLU 17 2HG GLU 17 -5.227 7.195 -1.187 111 H CYS 18 H CYS 18 -5.200 4.702 -5.119 112 HA CYS 18 HA CYS 18 -4.797 6.255 -7.582 113 HB2 CYS 18 1HB CYS 18 -3.673 4.187 -8.425 114 HB3 CYS 18 2HB CYS 18 -2.883 4.904 -7.025 115 H GLY 19 H GLY 19 -6.506 3.468 -6.240 116 HA2 GLY 19 1HA GLY 19 -8.818 3.131 -6.933 117 HA3 GLY 19 2HA GLY 19 -8.335 3.607 -8.554 118 H LYS 20 H LYS 20 -6.029 1.653 -7.047 119 HA LYS 20 HA LYS 20 -6.490 -0.485 -8.889 120 HB2 LYS 20 1HB LYS 20 -4.266 0.405 -7.755 121 HB3 LYS 20 2HB LYS 20 -4.669 -0.806 -6.545 122 HG2 LYS 20 1HG LYS 20 -4.544 -2.561 -8.131 123 HG3 LYS 20 2HG LYS 20 -4.470 -1.425 -9.480 124 HD2 LYS 20 1HD LYS 20 -2.310 -0.574 -8.474 125 HD3 LYS 20 2HD LYS 20 -2.367 -1.970 -7.395 126 HE2 LYS 20 1HE LYS 20 -2.621 -2.356 -10.348 127 HE3 LYS 20 2HE LYS 20 -1.031 -2.098 -9.631 128 HZ1 LYS 20 3HZ LYS 20 -1.224 -4.035 -8.353 129 HZ2 LYS 20 1HZ LYS 20 -1.789 -4.478 -9.885 130 HZ3 LYS 20 2HZ LYS 20 -2.886 -4.176 -8.635 131 H VAL 21 H VAL 21 -6.439 -2.812 -8.034 132 HA VAL 21 HA VAL 21 -8.107 -3.106 -5.634 133 HB VAL 21 HB VAL 21 -8.655 -4.562 -8.222 134 HG11 VAL 21 1HG1 VAL 21 -10.590 -4.424 -5.975 135 HG12 VAL 21 2HG1 VAL 21 -10.306 -5.710 -7.149 136 HG13 VAL 21 3HG1 VAL 21 -9.196 -5.488 -5.797 137 HG21 VAL 21 3HG2 VAL 21 -10.853 -3.155 -7.958 138 HG22 VAL 21 1HG2 VAL 21 -9.798 -2.067 -7.057 139 HG23 VAL 21 2HG2 VAL 21 -9.432 -2.460 -8.737 140 H PHE 22 H PHE 22 -7.753 -4.943 -4.445 141 HA PHE 22 HA PHE 22 -5.794 -6.872 -5.482 142 HB2 PHE 22 1HB PHE 22 -5.737 -5.825 -2.650 143 HB3 PHE 22 2HB PHE 22 -4.549 -6.859 -3.438 144 HD1 PHE 22 HD2 PHE 22 -6.072 -3.473 -3.658 145 HD2 PHE 22 HD1 PHE 22 -2.675 -5.923 -4.414 146 HE1 PHE 22 HE2 PHE 22 -4.789 -1.482 -4.323 147 HE2 PHE 22 HE1 PHE 22 -1.386 -3.935 -5.080 148 HZ PHE 22 HZ PHE 22 -2.443 -1.711 -5.036 149 H THR 23 H THR 23 -6.565 -8.865 -5.385 150 HA THR 23 HA THR 23 -9.005 -9.635 -4.401 151 HB THR 23 HB THR 23 -7.855 -11.110 -5.883 152 HG1 THR 23 HG1 THR 23 -9.162 -12.300 -4.555 153 HG21 THR 23 3HG2 THR 23 -5.869 -12.241 -4.126 154 HG22 THR 23 1HG2 THR 23 -5.603 -10.511 -4.330 155 HG23 THR 23 2HG2 THR 23 -5.676 -11.564 -5.742 156 H GLN 24 H GLN 24 -6.069 -9.133 -2.645 157 HA GLN 24 HA GLN 24 -7.417 -10.043 -0.190 158 HB2 GLN 24 1HB GLN 24 -4.483 -10.283 -0.874 159 HB3 GLN 24 2HB GLN 24 -5.177 -10.646 0.701 160 HG2 GLN 24 1HG GLN 24 -6.593 -12.373 -0.393 161 HG3 GLN 24 2HG GLN 24 -5.714 -12.072 -1.891 162 HE21 GLN 24 1HE2 GLN 24 -5.413 -14.477 -1.453 163 HE22 GLN 24 2HE2 GLN 24 -3.984 -14.917 -0.588 164 H ASN 25 H ASN 25 -7.440 -8.651 1.487 165 HA ASN 25 HA ASN 25 -6.952 -5.939 1.112 166 HB2 ASN 25 1HB ASN 25 -8.398 -6.261 2.859 167 HB3 ASN 25 2HB ASN 25 -7.530 -7.671 3.459 168 HD21 ASN 25 1HD2 ASN 25 -7.612 -4.181 3.372 169 HD22 ASN 25 2HD2 ASN 25 -6.602 -3.930 4.751 170 H SER 26 H SER 26 -5.014 -8.310 2.930 171 HA SER 26 HA SER 26 -3.005 -6.785 3.913 172 HB2 SER 26 1HB SER 26 -3.126 -9.230 4.195 173 HB3 SER 26 2HB SER 26 -2.631 -9.447 2.516 174 HG SER 26 HG SER 26 -0.909 -9.599 4.105 175 H HIS 27 H HIS 27 -3.338 -7.862 0.563 176 HA HIS 27 HA HIS 27 -0.862 -6.853 -0.354 177 HB2 HIS 27 1HB HIS 27 -3.409 -7.722 -1.659 178 HB3 HIS 27 2HB HIS 27 -2.217 -6.850 -2.618 179 HD2 HIS 27 HD2 HIS 27 -1.046 -9.509 -0.002 180 HE1 HIS 27 HE1 HIS 27 -0.331 -11.023 -3.900 181 HE2 HIS 27 HE2 HIS 27 -0.062 -11.429 -1.429 182 H LEU 28 H LEU 28 -4.044 -5.423 0.019 183 HA LEU 28 HA LEU 28 -3.417 -3.029 -1.424 184 HB2 LEU 28 1HB LEU 28 -5.689 -3.582 -1.364 185 HB3 LEU 28 2HB LEU 28 -5.662 -3.876 0.373 186 HG LEU 28 HG LEU 28 -5.426 -1.453 0.756 187 HD11 LEU 28 1HD1 LEU 28 -5.902 -1.154 -2.202 188 HD12 LEU 28 2HD1 LEU 28 -4.326 -0.977 -1.433 189 HD13 LEU 28 3HD1 LEU 28 -5.637 0.127 -1.019 190 HD21 LEU 28 3HD2 LEU 28 -7.638 -2.518 0.738 191 HD22 LEU 28 1HD2 LEU 28 -7.777 -2.181 -0.988 192 HD23 LEU 28 2HD2 LEU 28 -7.703 -0.850 0.167 193 H ALA 29 H ALA 29 -3.812 -3.804 2.029 194 HA ALA 29 HA ALA 29 -3.253 -1.323 3.108 195 HB1 ALA 29 3HB ALA 29 -2.840 -4.111 4.106 196 HB2 ALA 29 1HB ALA 29 -2.281 -2.734 5.057 197 HB3 ALA 29 2HB ALA 29 -3.990 -2.886 4.645 198 H ARG 30 H ARG 30 -0.975 -3.887 2.192 199 HA ARG 30 HA ARG 30 1.340 -2.446 3.021 200 HB2 ARG 30 1HB ARG 30 2.603 -4.211 2.044 201 HB3 ARG 30 2HB ARG 30 1.176 -4.947 2.760 202 HG2 ARG 30 1HG ARG 30 0.122 -5.004 0.533 203 HG3 ARG 30 2HG ARG 30 1.607 -4.347 -0.158 204 HD2 ARG 30 1HD ARG 30 1.796 -6.786 1.532 205 HD3 ARG 30 2HD ARG 30 1.131 -6.948 -0.092 206 HE ARG 30 HE ARG 30 3.870 -6.438 0.618 207 HH11 ARG 30 1HH1 ARG 30 1.447 -6.137 -1.864 208 HH12 ARG 30 2HH1 ARG 30 2.595 -6.068 -3.159 209 HH21 ARG 30 1HH2 ARG 30 5.392 -6.348 -1.079 210 HH22 ARG 30 2HH2 ARG 30 4.839 -6.190 -2.711 211 H HIS 31 H HIS 31 -0.548 -2.582 0.104 212 HA HIS 31 HA HIS 31 1.388 -1.487 -1.657 213 HB2 HIS 31 1HB HIS 31 -0.299 -2.449 -2.870 214 HB3 HIS 31 2HB HIS 31 -1.546 -1.962 -1.726 215 HD1 HIS 31 HD1 HIS 31 0.519 -0.568 -4.565 216 HD2 HIS 31 HD2 HIS 31 -2.901 0.332 -2.384 217 HE1 HIS 31 HE1 HIS 31 -0.548 1.373 -5.757 218 H ARG 32 H ARG 32 -1.337 -0.026 0.106 219 HA ARG 32 HA ARG 32 -1.307 2.540 -0.692 220 HB2 ARG 32 1HB ARG 32 -1.375 1.635 2.193 221 HB3 ARG 32 2HB ARG 32 -1.910 3.205 1.608 222 HG2 ARG 32 1HG ARG 32 -3.698 2.211 0.372 223 HG3 ARG 32 2HG ARG 32 -3.097 0.588 0.718 224 HD2 ARG 32 1HD ARG 32 -4.946 1.034 2.174 225 HD3 ARG 32 2HD ARG 32 -3.468 1.034 3.136 226 HE ARG 32 HE ARG 32 -3.761 3.282 3.550 227 HH11 ARG 32 1HH1 ARG 32 -5.995 2.221 1.101 228 HH12 ARG 32 2HH1 ARG 32 -6.928 3.680 1.135 229 HH21 ARG 32 1HH2 ARG 32 -4.981 5.208 3.605 230 HH22 ARG 32 2HH2 ARG 32 -6.350 5.379 2.559 231 H GLY 33 H GLY 33 1.255 0.927 0.996 232 HA2 GLY 33 1HA GLY 33 2.660 3.053 2.101 233 HA3 GLY 33 2HA GLY 33 3.400 1.582 1.488 234 H ILE 34 H ILE 34 2.821 1.789 -1.213 235 HA ILE 34 HA ILE 34 4.904 3.360 -2.161 236 HB ILE 34 HB ILE 34 4.072 2.970 -4.384 237 HG12 ILE 34 1HG1 ILE 34 1.548 1.718 -3.403 238 HG13 ILE 34 2HG1 ILE 34 1.617 3.475 -3.492 239 HG21 ILE 34 1HG2 ILE 34 3.298 0.414 -3.902 240 HG22 ILE 34 2HG2 ILE 34 4.971 0.969 -3.902 241 HG23 ILE 34 3HG2 ILE 34 4.090 0.825 -2.381 242 HD11 ILE 34 3HD1 ILE 34 2.592 2.786 -5.924 243 HD12 ILE 34 1HD1 ILE 34 1.444 1.482 -5.625 244 HD13 ILE 34 2HD1 ILE 34 0.903 3.160 -5.584 245 H HIS 35 H HIS 35 1.766 4.297 -1.205 246 HA HIS 35 HA HIS 35 1.799 6.760 -2.762 247 HB2 HIS 35 1HB HIS 35 -0.213 5.537 -0.877 248 HB3 HIS 35 2HB HIS 35 -0.396 7.163 -1.527 249 HD1 HIS 35 HD1 HIS 35 -0.094 7.084 -4.361 250 HD2 HIS 35 HD2 HIS 35 -1.578 3.757 -2.363 251 HE1 HIS 35 HE1 HIS 35 -1.321 5.746 -6.102 252 H THR 36 H THR 36 1.466 5.902 0.686 253 HA THR 36 HA THR 36 1.753 8.418 1.775 254 HB THR 36 HB THR 36 2.766 7.218 3.785 255 HG1 THR 36 HG1 THR 36 3.206 5.137 3.612 256 HG21 THR 36 3HG2 THR 36 0.200 6.034 2.729 257 HG22 THR 36 1HG2 THR 36 0.323 7.649 3.425 258 HG23 THR 36 2HG2 THR 36 0.675 6.233 4.416 259 H GLY 37 H GLY 37 3.663 9.206 3.090 260 HA2 GLY 37 1HA GLY 37 5.945 9.638 3.335 261 HA3 GLY 37 2HA GLY 37 6.277 8.492 2.044 262 H GLU 38 H GLU 38 5.468 11.794 2.824 263 HA GLU 38 HA GLU 38 5.488 12.622 0.046 264 HB2 GLU 38 1HB GLU 38 4.033 13.621 1.920 265 HB3 GLU 38 2HB GLU 38 5.492 14.460 2.429 266 HG2 GLU 38 1HG GLU 38 5.649 15.523 0.238 267 HG3 GLU 38 2HG GLU 38 4.188 14.681 -0.275 268 H LYS 39 H LYS 39 7.820 11.486 0.305 269 HA LYS 39 HA LYS 39 9.689 13.590 -0.116 270 HB2 LYS 39 1HB LYS 39 11.286 12.788 1.700 271 HB3 LYS 39 2HB LYS 39 9.911 13.750 2.228 272 HG2 LYS 39 1HG LYS 39 8.852 11.944 3.203 273 HG3 LYS 39 2HG LYS 39 9.740 10.768 2.232 274 HD2 LYS 39 1HD LYS 39 11.727 11.102 3.492 275 HD3 LYS 39 2HD LYS 39 11.056 12.523 4.296 276 HE2 LYS 39 1HE LYS 39 9.273 10.936 5.213 277 HE3 LYS 39 2HE LYS 39 10.334 9.632 4.682 278 HZ1 LYS 39 3HZ LYS 39 10.463 10.903 7.076 279 HZ2 LYS 39 1HZ LYS 39 11.704 11.644 6.197 280 HZ3 LYS 39 2HZ LYS 39 11.695 9.965 6.395 281 HA PRO 40 HA PRO 40 11.411 10.386 -2.597 282 HB2 PRO 40 1HB PRO 40 13.853 11.475 -3.068 283 HB3 PRO 40 2HB PRO 40 12.374 12.067 -3.832 284 HG2 PRO 40 1HG PRO 40 13.844 13.148 -1.459 285 HG3 PRO 40 2HG PRO 40 13.119 14.024 -2.820 286 HD2 PRO 40 1HD PRO 40 11.904 13.817 -0.409 287 HD3 PRO 40 2HD PRO 40 10.996 13.902 -1.932 288 H SER 41 H SER 41 13.125 8.807 -2.643 289 HA SER 41 HA SER 41 14.170 8.256 0.038 290 HB2 SER 41 1HB SER 41 14.036 6.419 -2.365 291 HB3 SER 41 2HB SER 41 14.445 5.959 -0.712 292 HG SER 41 HG SER 41 11.991 6.394 -1.862 293 H GLY 42 H GLY 42 15.299 7.894 -3.333 294 HA2 GLY 42 1HA GLY 42 17.651 9.351 -3.068 295 HA3 GLY 42 2HA GLY 42 18.036 7.698 -2.611 296 HA PRO 43 HA PRO 43 16.729 7.792 -7.301 297 HB2 PRO 43 1HB PRO 43 17.075 10.205 -8.498 298 HB3 PRO 43 2HB PRO 43 15.544 9.704 -7.769 299 HG2 PRO 43 1HG PRO 43 17.689 11.466 -6.648 300 HG3 PRO 43 2HG PRO 43 15.929 11.673 -6.592 301 HD2 PRO 43 1HD PRO 43 17.351 10.715 -4.496 302 HD3 PRO 43 2HD PRO 43 15.686 10.201 -4.835 303 H SER 44 H SER 44 19.371 9.389 -5.777 304 HA SER 44 HA SER 44 21.196 9.613 -7.876 305 HB2 SER 44 1HB SER 44 21.778 8.959 -4.977 306 HB3 SER 44 2HB SER 44 22.938 9.589 -6.146 307 HG SER 44 HG SER 44 21.088 10.912 -4.671 308 H SER 45 H SER 45 22.620 8.240 -8.837 309 HA SER 45 HA SER 45 22.234 5.383 -8.274 310 HB2 SER 45 1HB SER 45 23.388 6.708 -10.741 311 HB3 SER 45 2HB SER 45 23.069 4.985 -10.541 312 HG SER 45 HG SER 45 21.087 7.009 -10.375 313 H GLY 46 H GLY 46 23.681 5.276 -6.511 314 HA2 GLY 46 1HA GLY 46 25.745 5.236 -5.454 315 HA3 GLY 46 2HA GLY 46 26.163 4.307 -6.886 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -32.982 14.334 -10.804 2 HA2 GLY 1 1HA GLY 1 -30.616 13.938 -11.225 3 HA3 GLY 1 2HA GLY 1 -30.713 12.573 -10.123 4 H SER 2 H SER 2 -29.605 12.203 -12.575 5 HA SER 2 HA SER 2 -31.446 10.288 -13.743 6 HB2 SER 2 1HB SER 2 -31.282 11.124 -15.999 7 HB3 SER 2 2HB SER 2 -31.846 12.441 -14.970 8 HG SER 2 HG SER 2 -29.532 13.037 -14.864 9 H SER 3 H SER 3 -30.257 8.502 -13.619 10 HA SER 3 HA SER 3 -27.791 8.304 -15.075 11 HB2 SER 3 1HB SER 3 -27.256 9.237 -12.696 12 HB3 SER 3 2HB SER 3 -27.560 7.581 -12.169 13 HG SER 3 HG SER 3 -25.600 7.192 -12.788 14 H GLY 4 H GLY 4 -27.216 6.177 -15.537 15 HA2 GLY 4 1HA GLY 4 -29.345 4.241 -15.036 16 HA3 GLY 4 2HA GLY 4 -28.056 4.086 -16.221 17 H SER 5 H SER 5 -28.884 2.052 -14.420 18 HA SER 5 HA SER 5 -26.362 1.264 -13.390 19 HB2 SER 5 1HB SER 5 -26.903 2.834 -11.600 20 HB3 SER 5 2HB SER 5 -28.465 2.051 -11.358 21 HG SER 5 HG SER 5 -26.312 1.464 -10.105 22 H SER 6 H SER 6 -26.307 -0.873 -13.555 23 HA SER 6 HA SER 6 -28.809 -2.383 -13.190 24 HB2 SER 6 1HB SER 6 -28.076 -3.902 -15.010 25 HB3 SER 6 2HB SER 6 -28.339 -2.253 -15.579 26 HG SER 6 HG SER 6 -25.969 -2.028 -15.180 27 H GLY 7 H GLY 7 -28.120 -2.831 -11.039 28 HA2 GLY 7 1HA GLY 7 -26.834 -3.862 -9.396 29 HA3 GLY 7 2HA GLY 7 -27.121 -5.239 -10.449 30 H THR 8 H THR 8 -24.856 -2.694 -9.606 31 HA THR 8 HA THR 8 -22.760 -4.047 -11.154 32 HB THR 8 HB THR 8 -21.417 -2.014 -10.820 33 HG1 THR 8 HG1 THR 8 -22.855 -1.545 -8.798 34 HG21 THR 8 3HG2 THR 8 -22.941 -2.205 -12.765 35 HG22 THR 8 1HG2 THR 8 -22.686 -0.536 -12.259 36 HG23 THR 8 2HG2 THR 8 -24.185 -1.365 -11.840 37 H GLY 9 H GLY 9 -21.831 -5.613 -9.976 38 HA2 GLY 9 1HA GLY 9 -21.723 -5.843 -7.223 39 HA3 GLY 9 2HA GLY 9 -20.570 -6.587 -8.321 40 H LYS 10 H LYS 10 -19.867 -5.717 -5.769 41 HA LYS 10 HA LYS 10 -18.207 -3.353 -6.352 42 HB2 LYS 10 1HB LYS 10 -19.732 -2.857 -4.563 43 HB3 LYS 10 2HB LYS 10 -19.327 -4.353 -3.732 44 HG2 LYS 10 1HG LYS 10 -17.251 -3.558 -3.049 45 HG3 LYS 10 2HG LYS 10 -17.241 -2.272 -4.257 46 HD2 LYS 10 1HD LYS 10 -19.320 -2.334 -2.099 47 HD3 LYS 10 2HD LYS 10 -17.716 -1.665 -1.789 48 HE2 LYS 10 1HE LYS 10 -19.404 -0.785 -4.116 49 HE3 LYS 10 2HE LYS 10 -19.538 -0.040 -2.524 50 HZ1 LYS 10 3HZ LYS 10 -18.034 1.228 -3.862 51 HZ2 LYS 10 1HZ LYS 10 -17.114 -0.141 -4.234 52 HZ3 LYS 10 2HZ LYS 10 -17.139 0.456 -2.652 53 H LYS 11 H LYS 11 -16.037 -3.476 -6.081 54 HA LYS 11 HA LYS 11 -14.804 -6.022 -6.035 55 HB2 LYS 11 1HB LYS 11 -13.875 -3.196 -6.088 56 HB3 LYS 11 2HB LYS 11 -12.714 -4.417 -5.583 57 HG2 LYS 11 1HG LYS 11 -12.320 -4.317 -7.838 58 HG3 LYS 11 2HG LYS 11 -13.482 -5.643 -7.751 59 HD2 LYS 11 1HD LYS 11 -15.197 -4.372 -8.631 60 HD3 LYS 11 2HD LYS 11 -14.466 -2.847 -8.124 61 HE2 LYS 11 1HE LYS 11 -14.161 -2.855 -10.431 62 HE3 LYS 11 2HE LYS 11 -12.611 -3.421 -9.811 63 HZ1 LYS 11 3HZ LYS 11 -14.695 -4.908 -11.239 64 HZ2 LYS 11 1HZ LYS 11 -13.738 -5.740 -10.119 65 HZ3 LYS 11 2HZ LYS 11 -13.015 -4.956 -11.431 66 HA PRO 12 HA PRO 12 -14.042 -6.826 -1.790 67 HB2 PRO 12 1HB PRO 12 -11.506 -7.797 -1.813 68 HB3 PRO 12 2HB PRO 12 -12.887 -8.702 -2.444 69 HG2 PRO 12 1HG PRO 12 -10.844 -7.089 -3.922 70 HG3 PRO 12 2HG PRO 12 -11.524 -8.675 -4.328 71 HD2 PRO 12 1HD PRO 12 -12.365 -6.386 -5.504 72 HD3 PRO 12 2HD PRO 12 -13.446 -7.764 -5.216 73 H TYR 13 H TYR 13 -11.143 -5.337 -3.252 74 HA TYR 13 HA TYR 13 -11.169 -3.270 -1.210 75 HB2 TYR 13 1HB TYR 13 -8.741 -5.032 -1.599 76 HB3 TYR 13 2HB TYR 13 -8.871 -3.659 -0.506 77 HD1 TYR 13 HD1 TYR 13 -10.259 -3.818 1.526 78 HD2 TYR 13 HD2 TYR 13 -9.654 -7.173 -1.020 79 HE1 TYR 13 HE1 TYR 13 -11.053 -5.310 3.313 80 HE2 TYR 13 HE2 TYR 13 -10.447 -8.674 0.760 81 HH TYR 13 HH TYR 13 -11.938 -7.485 3.638 82 H LYS 14 H LYS 14 -10.993 -1.450 -2.318 83 HA LYS 14 HA LYS 14 -9.173 -1.380 -4.637 84 HB2 LYS 14 1HB LYS 14 -11.491 -1.181 -5.356 85 HB3 LYS 14 2HB LYS 14 -11.758 0.132 -4.216 86 HG2 LYS 14 1HG LYS 14 -9.803 1.268 -5.535 87 HG3 LYS 14 2HG LYS 14 -10.280 0.132 -6.800 88 HD2 LYS 14 1HD LYS 14 -12.522 0.999 -6.810 89 HD3 LYS 14 2HD LYS 14 -12.180 2.019 -5.410 90 HE2 LYS 14 1HE LYS 14 -10.352 3.066 -6.886 91 HE3 LYS 14 2HE LYS 14 -11.190 2.292 -8.230 92 HZ1 LYS 14 3HZ LYS 14 -13.248 3.452 -7.341 93 HZ2 LYS 14 1HZ LYS 14 -12.091 4.425 -8.101 94 HZ3 LYS 14 2HZ LYS 14 -12.195 4.396 -6.413 95 H CYS 15 H CYS 15 -7.757 0.304 -4.809 96 HA CYS 15 HA CYS 15 -7.306 1.850 -2.402 97 HB2 CYS 15 1HB CYS 15 -5.482 0.722 -3.781 98 HB3 CYS 15 2HB CYS 15 -5.726 1.998 -4.968 99 H ASN 16 H ASN 16 -8.244 3.748 -2.085 100 HA ASN 16 HA ASN 16 -9.524 5.190 -4.198 101 HB2 ASN 16 1HB ASN 16 -9.034 5.898 -1.298 102 HB3 ASN 16 2HB ASN 16 -10.006 6.865 -2.402 103 HD21 ASN 16 1HD2 ASN 16 -11.555 5.236 -3.711 104 HD22 ASN 16 2HD2 ASN 16 -12.535 4.269 -2.666 105 H GLU 17 H GLU 17 -6.360 4.933 -3.427 106 HA GLU 17 HA GLU 17 -5.640 7.725 -3.774 107 HB2 GLU 17 1HB GLU 17 -3.820 5.320 -3.607 108 HB3 GLU 17 2HB GLU 17 -3.361 7.006 -3.422 109 HG2 GLU 17 1HG GLU 17 -5.351 5.740 -1.582 110 HG3 GLU 17 2HG GLU 17 -3.618 5.558 -1.321 111 H CYS 18 H CYS 18 -5.009 4.653 -5.468 112 HA CYS 18 HA CYS 18 -4.435 6.206 -7.902 113 HB2 CYS 18 1HB CYS 18 -3.287 4.139 -8.699 114 HB3 CYS 18 2HB CYS 18 -2.560 4.832 -7.253 115 H GLY 19 H GLY 19 -6.107 3.304 -6.717 116 HA2 GLY 19 1HA GLY 19 -8.447 3.066 -7.497 117 HA3 GLY 19 2HA GLY 19 -7.850 3.473 -9.098 118 H LYS 20 H LYS 20 -5.918 1.438 -7.083 119 HA LYS 20 HA LYS 20 -6.247 -0.743 -8.966 120 HB2 LYS 20 1HB LYS 20 -4.316 -0.046 -6.814 121 HB3 LYS 20 2HB LYS 20 -4.518 -1.751 -7.192 122 HG2 LYS 20 1HG LYS 20 -4.058 -1.174 -9.589 123 HG3 LYS 20 2HG LYS 20 -3.626 0.447 -9.039 124 HD2 LYS 20 1HD LYS 20 -1.568 -0.601 -9.081 125 HD3 LYS 20 2HD LYS 20 -2.052 -0.831 -7.399 126 HE2 LYS 20 1HE LYS 20 -1.180 -2.903 -8.260 127 HE3 LYS 20 2HE LYS 20 -2.916 -3.072 -8.001 128 HZ1 LYS 20 3HZ LYS 20 -3.328 -3.205 -10.216 129 HZ2 LYS 20 1HZ LYS 20 -1.766 -3.855 -10.217 130 HZ3 LYS 20 2HZ LYS 20 -2.010 -2.239 -10.653 131 H VAL 21 H VAL 21 -6.291 -3.020 -7.973 132 HA VAL 21 HA VAL 21 -8.039 -3.150 -5.622 133 HB VAL 21 HB VAL 21 -8.621 -4.652 -8.177 134 HG11 VAL 21 1HG1 VAL 21 -10.475 -4.364 -5.848 135 HG12 VAL 21 2HG1 VAL 21 -10.446 -5.598 -7.109 136 HG13 VAL 21 3HG1 VAL 21 -9.220 -5.602 -5.840 137 HG21 VAL 21 3HG2 VAL 21 -9.429 -1.998 -7.257 138 HG22 VAL 21 1HG2 VAL 21 -9.507 -2.715 -8.867 139 HG23 VAL 21 2HG2 VAL 21 -10.782 -3.042 -7.694 140 H PHE 22 H PHE 22 -7.809 -4.975 -4.379 141 HA PHE 22 HA PHE 22 -5.986 -7.064 -5.329 142 HB2 PHE 22 1HB PHE 22 -5.737 -5.903 -2.558 143 HB3 PHE 22 2HB PHE 22 -4.626 -6.991 -3.385 144 HD1 PHE 22 HD2 PHE 22 -6.054 -3.564 -3.602 145 HD2 PHE 22 HD1 PHE 22 -2.780 -6.137 -4.483 146 HE1 PHE 22 HE2 PHE 22 -4.749 -1.630 -4.382 147 HE2 PHE 22 HE1 PHE 22 -1.469 -4.207 -5.265 148 HZ PHE 22 HZ PHE 22 -2.454 -1.950 -5.216 149 H THR 23 H THR 23 -6.863 -8.996 -5.049 150 HA THR 23 HA THR 23 -9.313 -9.557 -3.993 151 HB THR 23 HB THR 23 -8.557 -11.919 -3.732 152 HG1 THR 23 HG1 THR 23 -6.053 -11.209 -4.782 153 HG21 THR 23 3HG2 THR 23 -9.193 -11.789 -5.887 154 HG22 THR 23 1HG2 THR 23 -7.464 -11.834 -6.232 155 HG23 THR 23 2HG2 THR 23 -8.309 -10.288 -6.158 156 H GLN 24 H GLN 24 -6.220 -9.544 -2.279 157 HA GLN 24 HA GLN 24 -7.674 -9.961 0.245 158 HB2 GLN 24 1HB GLN 24 -4.748 -10.376 -0.391 159 HB3 GLN 24 2HB GLN 24 -5.477 -10.605 1.193 160 HG2 GLN 24 1HG GLN 24 -6.877 -12.387 0.307 161 HG3 GLN 24 2HG GLN 24 -6.178 -12.148 -1.294 162 HE21 GLN 24 1HE2 GLN 24 -5.733 -13.469 1.857 163 HE22 GLN 24 2HE2 GLN 24 -4.252 -14.299 1.536 164 H ASN 25 H ASN 25 -7.742 -8.380 1.718 165 HA ASN 25 HA ASN 25 -7.060 -5.757 1.139 166 HB2 ASN 25 1HB ASN 25 -7.835 -5.222 3.249 167 HB3 ASN 25 2HB ASN 25 -8.579 -6.802 3.018 168 HD21 ASN 25 1HD2 ASN 25 -7.467 -8.653 3.945 169 HD22 ASN 25 2HD2 ASN 25 -6.570 -8.445 5.407 170 H SER 26 H SER 26 -5.248 -8.197 2.946 171 HA SER 26 HA SER 26 -3.205 -6.675 3.985 172 HB2 SER 26 1HB SER 26 -3.293 -9.495 2.951 173 HB3 SER 26 2HB SER 26 -1.781 -8.810 3.545 174 HG SER 26 HG SER 26 -3.371 -8.192 5.408 175 H HIS 27 H HIS 27 -3.489 -8.003 0.715 176 HA HIS 27 HA HIS 27 -0.953 -7.181 -0.203 177 HB2 HIS 27 1HB HIS 27 -3.524 -7.735 -1.693 178 HB3 HIS 27 2HB HIS 27 -1.981 -7.430 -2.486 179 HD2 HIS 27 HD2 HIS 27 -1.885 -9.719 0.637 180 HE1 HIS 27 HE1 HIS 27 -1.505 -12.173 -2.804 181 HE2 HIS 27 HE2 HIS 27 -1.471 -12.100 -0.286 182 H LEU 28 H LEU 28 -3.999 -5.520 0.124 183 HA LEU 28 HA LEU 28 -3.256 -3.288 -1.526 184 HB2 LEU 28 1HB LEU 28 -5.561 -3.710 -1.394 185 HB3 LEU 28 2HB LEU 28 -5.521 -3.839 0.363 186 HG LEU 28 HG LEU 28 -5.145 -1.417 0.521 187 HD11 LEU 28 1HD1 LEU 28 -4.035 -1.278 -1.750 188 HD12 LEU 28 2HD1 LEU 28 -5.165 0.014 -1.350 189 HD13 LEU 28 3HD1 LEU 28 -5.659 -1.284 -2.437 190 HD21 LEU 28 3HD2 LEU 28 -7.362 -0.783 0.116 191 HD22 LEU 28 1HD2 LEU 28 -7.446 -2.521 0.403 192 HD23 LEU 28 2HD2 LEU 28 -7.527 -1.894 -1.244 193 H ALA 29 H ALA 29 -3.721 -3.734 1.981 194 HA ALA 29 HA ALA 29 -3.017 -1.267 2.913 195 HB1 ALA 29 3HB ALA 29 -2.438 -3.987 4.056 196 HB2 ALA 29 1HB ALA 29 -2.080 -2.494 4.924 197 HB3 ALA 29 2HB ALA 29 -3.743 -2.877 4.475 198 H ARG 30 H ARG 30 -0.766 -3.933 2.193 199 HA ARG 30 HA ARG 30 1.590 -2.562 2.845 200 HB2 ARG 30 1HB ARG 30 2.759 -4.302 1.702 201 HB3 ARG 30 2HB ARG 30 1.355 -5.036 2.466 202 HG2 ARG 30 1HG ARG 30 0.211 -5.218 0.404 203 HG3 ARG 30 2HG ARG 30 1.384 -4.184 -0.414 204 HD2 ARG 30 1HD ARG 30 3.061 -5.843 -0.315 205 HD3 ARG 30 2HD ARG 30 2.147 -6.802 0.848 206 HE ARG 30 HE ARG 30 0.541 -6.714 -1.348 207 HH11 ARG 30 1HH1 ARG 30 3.839 -7.668 -0.769 208 HH12 ARG 30 2HH1 ARG 30 3.853 -8.857 -2.029 209 HH21 ARG 30 1HH2 ARG 30 0.548 -8.275 -3.011 210 HH22 ARG 30 2HH2 ARG 30 1.981 -9.201 -3.304 211 H HIS 31 H HIS 31 -0.277 -2.708 -0.135 212 HA HIS 31 HA HIS 31 1.618 -1.420 -1.794 213 HB2 HIS 31 1HB HIS 31 0.030 -2.444 -3.085 214 HB3 HIS 31 2HB HIS 31 -1.276 -2.077 -1.962 215 HD1 HIS 31 HD1 HIS 31 0.746 -0.488 -4.722 216 HD2 HIS 31 HD2 HIS 31 -2.738 0.175 -2.559 217 HE1 HIS 31 HE1 HIS 31 -0.407 1.427 -5.875 218 H ARG 32 H ARG 32 -1.264 -0.180 -0.108 219 HA ARG 32 HA ARG 32 -1.347 2.408 -0.823 220 HB2 ARG 32 1HB ARG 32 -1.506 1.382 2.018 221 HB3 ARG 32 2HB ARG 32 -2.075 2.958 1.483 222 HG2 ARG 32 1HG ARG 32 -3.761 1.962 0.114 223 HG3 ARG 32 2HG ARG 32 -3.113 0.347 0.411 224 HD2 ARG 32 1HD ARG 32 -4.839 0.377 1.914 225 HD3 ARG 32 2HD ARG 32 -3.532 0.997 2.922 226 HE ARG 32 HE ARG 32 -4.580 3.254 1.943 227 HH11 ARG 32 1HH1 ARG 32 -6.066 0.455 3.384 228 HH12 ARG 32 2HH1 ARG 32 -7.401 1.341 4.042 229 HH21 ARG 32 1HH2 ARG 32 -6.333 4.432 2.805 230 HH22 ARG 32 2HH2 ARG 32 -7.552 3.603 3.712 231 H GLY 33 H GLY 33 1.222 0.891 0.947 232 HA2 GLY 33 1HA GLY 33 2.444 3.064 2.173 233 HA3 GLY 33 2HA GLY 33 3.297 1.652 1.567 234 H ILE 34 H ILE 34 2.855 1.888 -1.153 235 HA ILE 34 HA ILE 34 4.896 3.540 -1.988 236 HB ILE 34 HB ILE 34 4.118 3.249 -4.244 237 HG12 ILE 34 1HG1 ILE 34 1.581 1.940 -3.382 238 HG13 ILE 34 2HG1 ILE 34 1.640 3.699 -3.389 239 HG21 ILE 34 1HG2 ILE 34 3.371 0.674 -3.933 240 HG22 ILE 34 2HG2 ILE 34 5.035 1.241 -3.801 241 HG23 ILE 34 3HG2 ILE 34 4.068 1.001 -2.346 242 HD11 ILE 34 3HD1 ILE 34 1.539 1.802 -5.616 243 HD12 ILE 34 1HD1 ILE 34 0.968 3.467 -5.508 244 HD13 ILE 34 2HD1 ILE 34 2.671 3.137 -5.826 245 H HIS 35 H HIS 35 1.634 4.363 -1.224 246 HA HIS 35 HA HIS 35 1.689 6.893 -2.626 247 HB2 HIS 35 1HB HIS 35 -0.301 5.611 -0.755 248 HB3 HIS 35 2HB HIS 35 -0.506 7.242 -1.386 249 HD1 HIS 35 HD1 HIS 35 -0.179 7.179 -4.230 250 HD2 HIS 35 HD2 HIS 35 -1.682 3.851 -2.249 251 HE1 HIS 35 HE1 HIS 35 -1.403 5.851 -5.980 252 H THR 36 H THR 36 1.380 5.946 0.801 253 HA THR 36 HA THR 36 2.060 8.604 1.685 254 HB THR 36 HB THR 36 0.551 7.610 3.143 255 HG1 THR 36 HG1 THR 36 1.661 7.864 4.938 256 HG21 THR 36 3HG2 THR 36 2.020 5.135 2.490 257 HG22 THR 36 1HG2 THR 36 0.293 5.398 2.730 258 HG23 THR 36 2HG2 THR 36 1.362 5.230 4.123 259 H GLY 37 H GLY 37 4.057 9.348 1.934 260 HA2 GLY 37 1HA GLY 37 6.158 8.781 3.268 261 HA3 GLY 37 2HA GLY 37 6.251 7.393 2.194 262 H GLU 38 H GLU 38 5.744 8.355 -0.248 263 HA GLU 38 HA GLU 38 8.011 10.154 -0.686 264 HB2 GLU 38 1HB GLU 38 7.744 7.886 -1.864 265 HB3 GLU 38 2HB GLU 38 6.495 8.669 -2.821 266 HG2 GLU 38 1HG GLU 38 8.166 10.364 -3.518 267 HG3 GLU 38 2HG GLU 38 9.399 9.436 -2.665 268 H LYS 39 H LYS 39 5.767 11.405 0.325 269 HA LYS 39 HA LYS 39 5.151 13.227 -1.854 270 HB2 LYS 39 1HB LYS 39 2.726 13.201 -1.350 271 HB3 LYS 39 2HB LYS 39 3.302 11.673 -2.001 272 HG2 LYS 39 1HG LYS 39 2.022 10.888 -0.303 273 HG3 LYS 39 2HG LYS 39 3.545 11.088 0.568 274 HD2 LYS 39 1HD LYS 39 2.827 13.067 1.596 275 HD3 LYS 39 2HD LYS 39 1.511 13.293 0.441 276 HE2 LYS 39 1HE LYS 39 0.551 11.121 1.379 277 HE3 LYS 39 2HE LYS 39 1.708 11.314 2.694 278 HZ1 LYS 39 3HZ LYS 39 0.533 12.981 3.593 279 HZ2 LYS 39 1HZ LYS 39 -0.756 12.347 2.699 280 HZ3 LYS 39 2HZ LYS 39 0.123 13.662 2.099 281 HA PRO 40 HA PRO 40 5.561 16.252 1.304 282 HB2 PRO 40 1HB PRO 40 3.999 18.236 0.308 283 HB3 PRO 40 2HB PRO 40 5.574 17.820 -0.376 284 HG2 PRO 40 1HG PRO 40 2.839 17.037 -1.307 285 HG3 PRO 40 2HG PRO 40 4.236 17.569 -2.261 286 HD2 PRO 40 1HD PRO 40 3.542 14.963 -2.022 287 HD3 PRO 40 2HD PRO 40 5.228 15.490 -2.200 288 H SER 41 H SER 41 4.484 15.095 2.992 289 HA SER 41 HA SER 41 1.696 15.010 3.333 290 HB2 SER 41 1HB SER 41 3.830 14.956 5.480 291 HB3 SER 41 2HB SER 41 2.170 14.387 5.647 292 HG SER 41 HG SER 41 2.946 13.072 3.635 293 H GLY 42 H GLY 42 4.115 17.167 4.825 294 HA2 GLY 42 1HA GLY 42 3.803 19.123 6.029 295 HA3 GLY 42 2HA GLY 42 2.918 19.566 4.576 296 HA PRO 43 HA PRO 43 -0.486 17.919 7.556 297 HB2 PRO 43 1HB PRO 43 0.294 17.048 10.007 298 HB3 PRO 43 2HB PRO 43 0.203 15.988 8.595 299 HG2 PRO 43 1HG PRO 43 2.589 17.334 9.803 300 HG3 PRO 43 2HG PRO 43 2.429 15.677 9.193 301 HD2 PRO 43 1HD PRO 43 3.599 17.651 7.757 302 HD3 PRO 43 2HD PRO 43 2.695 16.325 6.998 303 H SER 44 H SER 44 2.267 19.459 9.167 304 HA SER 44 HA SER 44 2.328 21.093 10.799 305 HB2 SER 44 1HB SER 44 1.433 23.215 9.952 306 HB3 SER 44 2HB SER 44 2.226 22.314 8.659 307 HG SER 44 HG SER 44 -0.014 23.293 8.348 308 H SER 45 H SER 45 0.501 19.158 11.581 309 HA SER 45 HA SER 45 -1.771 20.708 12.625 310 HB2 SER 45 1HB SER 45 -1.383 17.808 11.990 311 HB3 SER 45 2HB SER 45 -2.545 18.262 13.236 312 HG SER 45 HG SER 45 -3.266 19.824 11.466 313 H GLY 46 H GLY 46 -2.510 19.993 14.852 314 HA2 GLY 46 1HA GLY 46 -0.163 19.456 16.566 315 HA3 GLY 46 2HA GLY 46 -1.340 20.700 16.962 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -22.694 21.171 -13.924 2 HA2 GLY 1 1HA GLY 1 -23.804 19.760 -15.794 3 HA3 GLY 1 2HA GLY 1 -22.518 18.631 -15.394 4 H SER 2 H SER 2 -23.590 16.969 -14.491 5 HA SER 2 HA SER 2 -25.411 17.579 -12.256 6 HB2 SER 2 1HB SER 2 -26.384 15.308 -12.701 7 HB3 SER 2 2HB SER 2 -26.604 16.454 -14.024 8 HG SER 2 HG SER 2 -25.544 15.132 -15.247 9 H SER 3 H SER 3 -25.528 15.693 -10.646 10 HA SER 3 HA SER 3 -22.843 14.580 -10.183 11 HB2 SER 3 1HB SER 3 -23.335 16.607 -8.747 12 HB3 SER 3 2HB SER 3 -24.615 15.662 -7.986 13 HG SER 3 HG SER 3 -22.994 14.133 -7.396 14 H GLY 4 H GLY 4 -23.166 12.465 -10.549 15 HA2 GLY 4 1HA GLY 4 -25.249 11.137 -8.943 16 HA3 GLY 4 2HA GLY 4 -25.088 10.764 -10.653 17 H SER 5 H SER 5 -24.667 9.262 -7.999 18 HA SER 5 HA SER 5 -22.264 7.875 -8.898 19 HB2 SER 5 1HB SER 5 -22.589 9.147 -6.186 20 HB3 SER 5 2HB SER 5 -21.512 7.773 -6.436 21 HG SER 5 HG SER 5 -20.435 9.032 -8.033 22 H SER 6 H SER 6 -22.177 5.707 -8.310 23 HA SER 6 HA SER 6 -24.691 4.645 -7.211 24 HB2 SER 6 1HB SER 6 -24.269 3.900 -9.483 25 HB3 SER 6 2HB SER 6 -22.650 3.358 -9.040 26 HG SER 6 HG SER 6 -23.667 1.850 -7.614 27 H GLY 7 H GLY 7 -24.621 2.865 -5.756 28 HA2 GLY 7 1HA GLY 7 -22.144 2.823 -4.161 29 HA3 GLY 7 2HA GLY 7 -23.751 2.463 -3.547 30 H THR 8 H THR 8 -21.286 1.277 -5.808 31 HA THR 8 HA THR 8 -22.360 -1.436 -5.502 32 HB THR 8 HB THR 8 -20.231 -0.491 -7.428 33 HG1 THR 8 HG1 THR 8 -21.805 0.034 -8.766 34 HG21 THR 8 3HG2 THR 8 -20.092 -2.855 -7.087 35 HG22 THR 8 1HG2 THR 8 -20.893 -2.590 -8.635 36 HG23 THR 8 2HG2 THR 8 -21.842 -3.033 -7.216 37 H GLY 9 H GLY 9 -21.496 -2.606 -3.920 38 HA2 GLY 9 1HA GLY 9 -18.635 -2.211 -3.297 39 HA3 GLY 9 2HA GLY 9 -19.842 -2.710 -2.120 40 H LYS 10 H LYS 10 -18.754 -3.795 -5.341 41 HA LYS 10 HA LYS 10 -19.103 -6.563 -4.516 42 HB2 LYS 10 1HB LYS 10 -18.449 -5.243 -7.144 43 HB3 LYS 10 2HB LYS 10 -18.360 -6.987 -6.932 44 HG2 LYS 10 1HG LYS 10 -20.862 -5.566 -6.165 45 HG3 LYS 10 2HG LYS 10 -20.521 -5.855 -7.873 46 HD2 LYS 10 1HD LYS 10 -20.174 -8.274 -7.291 47 HD3 LYS 10 2HD LYS 10 -20.779 -7.902 -5.675 48 HE2 LYS 10 1HE LYS 10 -22.774 -6.851 -7.051 49 HE3 LYS 10 2HE LYS 10 -22.218 -7.986 -8.280 50 HZ1 LYS 10 3HZ LYS 10 -23.537 -9.417 -7.205 51 HZ2 LYS 10 1HZ LYS 10 -23.584 -8.493 -5.788 52 HZ3 LYS 10 2HZ LYS 10 -22.278 -9.526 -6.081 53 H LYS 11 H LYS 11 -16.490 -4.571 -5.901 54 HA LYS 11 HA LYS 11 -14.431 -6.402 -5.769 55 HB2 LYS 11 1HB LYS 11 -14.434 -3.406 -5.439 56 HB3 LYS 11 2HB LYS 11 -12.946 -4.343 -5.455 57 HG2 LYS 11 1HG LYS 11 -13.424 -5.131 -7.690 58 HG3 LYS 11 2HG LYS 11 -14.978 -4.295 -7.677 59 HD2 LYS 11 1HD LYS 11 -12.388 -2.831 -7.264 60 HD3 LYS 11 2HD LYS 11 -13.027 -3.153 -8.877 61 HE2 LYS 11 1HE LYS 11 -15.215 -2.112 -7.891 62 HE3 LYS 11 2HE LYS 11 -14.111 -1.400 -6.715 63 HZ1 LYS 11 3HZ LYS 11 -13.786 0.186 -8.217 64 HZ2 LYS 11 1HZ LYS 11 -14.561 -0.684 -9.444 65 HZ3 LYS 11 2HZ LYS 11 -12.919 -0.945 -9.130 66 HA PRO 12 HA PRO 12 -13.698 -7.136 -1.492 67 HB2 PRO 12 1HB PRO 12 -11.096 -7.902 -1.620 68 HB3 PRO 12 2HB PRO 12 -12.428 -8.927 -2.169 69 HG2 PRO 12 1HG PRO 12 -10.592 -7.187 -3.770 70 HG3 PRO 12 2HG PRO 12 -11.160 -8.830 -4.117 71 HD2 PRO 12 1HD PRO 12 -12.236 -6.639 -5.288 72 HD3 PRO 12 2HD PRO 12 -13.189 -8.093 -4.926 73 H TYR 13 H TYR 13 -11.001 -5.450 -3.116 74 HA TYR 13 HA TYR 13 -11.126 -3.292 -1.204 75 HB2 TYR 13 1HB TYR 13 -8.556 -4.866 -1.381 76 HB3 TYR 13 2HB TYR 13 -8.930 -3.535 -0.291 77 HD1 TYR 13 HD1 TYR 13 -10.685 -3.901 1.500 78 HD2 TYR 13 HD2 TYR 13 -9.024 -7.090 -0.775 79 HE1 TYR 13 HE1 TYR 13 -11.443 -5.504 3.205 80 HE2 TYR 13 HE2 TYR 13 -9.779 -8.702 0.923 81 HH TYR 13 HH TYR 13 -11.623 -8.773 2.703 82 H LYS 14 H LYS 14 -10.731 -1.471 -2.261 83 HA LYS 14 HA LYS 14 -8.937 -1.551 -4.595 84 HB2 LYS 14 1HB LYS 14 -11.308 -1.401 -5.290 85 HB3 LYS 14 2HB LYS 14 -11.478 0.069 -4.340 86 HG2 LYS 14 1HG LYS 14 -9.564 0.982 -5.787 87 HG3 LYS 14 2HG LYS 14 -9.927 -0.370 -6.862 88 HD2 LYS 14 1HD LYS 14 -12.181 0.400 -7.163 89 HD3 LYS 14 2HD LYS 14 -11.966 1.650 -5.935 90 HE2 LYS 14 1HE LYS 14 -11.725 2.823 -7.923 91 HE3 LYS 14 2HE LYS 14 -10.058 2.493 -7.454 92 HZ1 LYS 14 3HZ LYS 14 -9.737 1.321 -9.295 93 HZ2 LYS 14 1HZ LYS 14 -11.233 1.879 -9.853 94 HZ3 LYS 14 2HZ LYS 14 -11.131 0.394 -9.052 95 H CYS 15 H CYS 15 -7.618 0.229 -4.928 96 HA CYS 15 HA CYS 15 -7.135 1.842 -2.567 97 HB2 CYS 15 1HB CYS 15 -5.365 0.703 -4.102 98 HB3 CYS 15 2HB CYS 15 -5.610 2.104 -5.140 99 H ASN 16 H ASN 16 -8.158 3.701 -2.276 100 HA ASN 16 HA ASN 16 -9.469 5.067 -4.436 101 HB2 ASN 16 1HB ASN 16 -9.171 5.636 -1.490 102 HB3 ASN 16 2HB ASN 16 -9.971 6.763 -2.581 103 HD21 ASN 16 1HD2 ASN 16 -11.853 6.030 -3.715 104 HD22 ASN 16 2HD2 ASN 16 -12.848 4.796 -3.026 105 H GLU 17 H GLU 17 -6.340 4.909 -3.747 106 HA GLU 17 HA GLU 17 -5.754 7.759 -4.041 107 HB2 GLU 17 1HB GLU 17 -3.930 5.401 -3.542 108 HB3 GLU 17 2HB GLU 17 -3.397 7.072 -3.668 109 HG2 GLU 17 1HG GLU 17 -5.500 6.394 -1.681 110 HG3 GLU 17 2HG GLU 17 -3.829 5.949 -1.340 111 H CYS 18 H CYS 18 -5.015 4.658 -5.615 112 HA CYS 18 HA CYS 18 -4.386 6.158 -8.074 113 HB2 CYS 18 1HB CYS 18 -2.952 4.261 -8.721 114 HB3 CYS 18 2HB CYS 18 -2.426 4.987 -7.206 115 H GLY 19 H GLY 19 -5.832 3.183 -6.789 116 HA2 GLY 19 1HA GLY 19 -8.070 2.617 -7.632 117 HA3 GLY 19 2HA GLY 19 -7.496 3.073 -9.229 118 H LYS 20 H LYS 20 -5.900 1.089 -6.762 119 HA LYS 20 HA LYS 20 -5.815 -1.104 -8.725 120 HB2 LYS 20 1HB LYS 20 -3.878 -0.101 -6.703 121 HB3 LYS 20 2HB LYS 20 -3.917 -1.835 -6.990 122 HG2 LYS 20 1HG LYS 20 -3.197 -1.625 -9.174 123 HG3 LYS 20 2HG LYS 20 -3.721 0.056 -9.293 124 HD2 LYS 20 1HD LYS 20 -1.917 0.789 -7.905 125 HD3 LYS 20 2HD LYS 20 -1.474 -0.874 -7.511 126 HE2 LYS 20 1HE LYS 20 0.081 -0.357 -9.128 127 HE3 LYS 20 2HE LYS 20 -1.189 -1.106 -10.095 128 HZ1 LYS 20 3HZ LYS 20 -1.687 1.659 -9.845 129 HZ2 LYS 20 1HZ LYS 20 -1.404 0.755 -11.247 130 HZ3 LYS 20 2HZ LYS 20 -0.106 1.428 -10.398 131 H VAL 21 H VAL 21 -6.823 -2.953 -8.269 132 HA VAL 21 HA VAL 21 -8.034 -3.255 -5.621 133 HB VAL 21 HB VAL 21 -8.574 -4.794 -8.164 134 HG11 VAL 21 1HG1 VAL 21 -9.023 -6.014 -6.033 135 HG12 VAL 21 2HG1 VAL 21 -10.174 -4.745 -5.611 136 HG13 VAL 21 3HG1 VAL 21 -10.451 -5.751 -7.033 137 HG21 VAL 21 3HG2 VAL 21 -9.189 -2.297 -8.036 138 HG22 VAL 21 1HG2 VAL 21 -10.435 -3.442 -8.532 139 HG23 VAL 21 2HG2 VAL 21 -10.423 -2.810 -6.885 140 H PHE 22 H PHE 22 -7.850 -5.163 -4.414 141 HA PHE 22 HA PHE 22 -5.877 -7.135 -5.291 142 HB2 PHE 22 1HB PHE 22 -5.724 -5.896 -2.543 143 HB3 PHE 22 2HB PHE 22 -4.572 -6.994 -3.297 144 HD1 PHE 22 HD2 PHE 22 -5.965 -3.572 -3.456 145 HD2 PHE 22 HD1 PHE 22 -2.810 -6.184 -4.615 146 HE1 PHE 22 HE2 PHE 22 -4.677 -1.645 -4.281 147 HE2 PHE 22 HE1 PHE 22 -1.517 -4.261 -5.441 148 HZ PHE 22 HZ PHE 22 -2.451 -1.988 -5.276 149 H THR 23 H THR 23 -6.917 -9.005 -5.189 150 HA THR 23 HA THR 23 -9.262 -9.697 -4.121 151 HB THR 23 HB THR 23 -6.849 -11.506 -3.903 152 HG1 THR 23 HG1 THR 23 -6.949 -11.711 -6.014 153 HG21 THR 23 3HG2 THR 23 -9.809 -11.939 -3.853 154 HG22 THR 23 1HG2 THR 23 -8.558 -12.642 -2.828 155 HG23 THR 23 2HG2 THR 23 -8.749 -13.196 -4.491 156 H GLN 24 H GLN 24 -6.226 -9.597 -2.299 157 HA GLN 24 HA GLN 24 -7.773 -9.955 0.180 158 HB2 GLN 24 1HB GLN 24 -4.906 -10.572 -0.500 159 HB3 GLN 24 2HB GLN 24 -5.459 -10.459 1.165 160 HG2 GLN 24 1HG GLN 24 -6.924 -12.236 -0.718 161 HG3 GLN 24 2HG GLN 24 -5.365 -12.758 -0.082 162 HE21 GLN 24 1HE2 GLN 24 -8.610 -12.854 0.409 163 HE22 GLN 24 2HE2 GLN 24 -8.638 -13.204 2.101 164 H ASN 25 H ASN 25 -7.573 -8.501 1.846 165 HA ASN 25 HA ASN 25 -7.017 -5.831 1.208 166 HB2 ASN 25 1HB ASN 25 -7.278 -5.389 3.613 167 HB3 ASN 25 2HB ASN 25 -8.537 -6.469 3.022 168 HD21 ASN 25 1HD2 ASN 25 -6.444 -5.944 5.476 169 HD22 ASN 25 2HD2 ASN 25 -6.314 -7.549 6.102 170 H SER 26 H SER 26 -5.137 -8.167 3.121 171 HA SER 26 HA SER 26 -3.047 -6.665 3.979 172 HB2 SER 26 1HB SER 26 -1.610 -8.744 3.569 173 HB3 SER 26 2HB SER 26 -3.053 -8.962 4.560 174 HG SER 26 HG SER 26 -2.958 -9.466 1.771 175 H HIS 27 H HIS 27 -3.470 -7.967 0.716 176 HA HIS 27 HA HIS 27 -1.000 -7.188 -0.344 177 HB2 HIS 27 1HB HIS 27 -3.665 -7.877 -1.472 178 HB3 HIS 27 2HB HIS 27 -2.532 -7.043 -2.531 179 HD2 HIS 27 HD2 HIS 27 -1.488 -9.903 -0.029 180 HE1 HIS 27 HE1 HIS 27 -0.741 -11.172 -4.008 181 HE2 HIS 27 HE2 HIS 27 -0.576 -11.772 -1.567 182 H LEU 28 H LEU 28 -4.049 -5.435 -0.040 183 HA LEU 28 HA LEU 28 -3.158 -3.143 -1.495 184 HB2 LEU 28 1HB LEU 28 -5.498 -3.581 -1.388 185 HB3 LEU 28 2HB LEU 28 -5.470 -3.609 0.374 186 HG LEU 28 HG LEU 28 -4.985 -1.190 0.377 187 HD11 LEU 28 1HD1 LEU 28 -4.608 0.036 -1.471 188 HD12 LEU 28 2HD1 LEU 28 -5.756 -0.880 -2.446 189 HD13 LEU 28 3HD1 LEU 28 -4.136 -1.517 -2.162 190 HD21 LEU 28 3HD2 LEU 28 -7.262 -0.564 -0.760 191 HD22 LEU 28 1HD2 LEU 28 -7.228 -1.549 0.702 192 HD23 LEU 28 2HD2 LEU 28 -7.447 -2.315 -0.871 193 H ALA 29 H ALA 29 -3.861 -3.626 1.972 194 HA ALA 29 HA ALA 29 -3.071 -1.292 3.056 195 HB1 ALA 29 3HB ALA 29 -3.708 -3.626 4.130 196 HB2 ALA 29 1HB ALA 29 -1.964 -3.711 4.377 197 HB3 ALA 29 2HB ALA 29 -2.888 -2.370 5.057 198 H ARG 30 H ARG 30 -0.872 -3.889 2.047 199 HA ARG 30 HA ARG 30 1.497 -2.525 2.838 200 HB2 ARG 30 1HB ARG 30 2.685 -4.264 1.638 201 HB3 ARG 30 2HB ARG 30 1.371 -4.979 2.563 202 HG2 ARG 30 1HG ARG 30 0.067 -5.330 0.628 203 HG3 ARG 30 2HG ARG 30 1.117 -4.303 -0.351 204 HD2 ARG 30 1HD ARG 30 2.308 -6.677 0.988 205 HD3 ARG 30 2HD ARG 30 1.288 -6.940 -0.426 206 HE ARG 30 HE ARG 30 2.983 -5.033 -1.278 207 HH11 ARG 30 1HH1 ARG 30 3.485 -8.085 0.320 208 HH12 ARG 30 2HH1 ARG 30 5.031 -8.361 -0.412 209 HH21 ARG 30 1HH2 ARG 30 5.017 -5.386 -2.248 210 HH22 ARG 30 2HH2 ARG 30 5.902 -6.825 -1.872 211 H HIS 31 H HIS 31 -0.367 -2.696 -0.133 212 HA HIS 31 HA HIS 31 1.551 -1.450 -1.809 213 HB2 HIS 31 1HB HIS 31 -0.026 -2.499 -3.094 214 HB3 HIS 31 2HB HIS 31 -1.341 -2.113 -1.988 215 HD1 HIS 31 HD1 HIS 31 0.580 -0.721 -4.886 216 HD2 HIS 31 HD2 HIS 31 -2.678 0.277 -2.509 217 HE1 HIS 31 HE1 HIS 31 -0.534 1.209 -6.050 218 H ARG 32 H ARG 32 -1.374 -0.178 -0.217 219 HA ARG 32 HA ARG 32 -1.416 2.401 -0.971 220 HB2 ARG 32 1HB ARG 32 -1.707 1.374 1.857 221 HB3 ARG 32 2HB ARG 32 -2.188 2.982 1.333 222 HG2 ARG 32 1HG ARG 32 -3.911 2.140 -0.026 223 HG3 ARG 32 2HG ARG 32 -3.283 0.493 0.066 224 HD2 ARG 32 1HD ARG 32 -4.139 0.136 2.153 225 HD3 ARG 32 2HD ARG 32 -4.032 1.836 2.605 226 HE ARG 32 HE ARG 32 -5.984 1.325 0.567 227 HH11 ARG 32 1HH1 ARG 32 -5.384 1.350 3.996 228 HH12 ARG 32 2HH1 ARG 32 -7.049 1.574 4.418 229 HH21 ARG 32 1HH2 ARG 32 -8.180 1.619 1.109 230 HH22 ARG 32 2HH2 ARG 32 -8.639 1.725 2.775 231 H GLY 33 H GLY 33 1.079 0.896 0.910 232 HA2 GLY 33 1HA GLY 33 2.265 3.091 2.141 233 HA3 GLY 33 2HA GLY 33 3.128 1.656 1.610 234 H ILE 34 H ILE 34 2.803 1.823 -1.132 235 HA ILE 34 HA ILE 34 4.901 3.379 -1.953 236 HB ILE 34 HB ILE 34 4.137 3.129 -4.219 237 HG12 ILE 34 1HG1 ILE 34 1.516 1.972 -3.389 238 HG13 ILE 34 2HG1 ILE 34 1.679 3.725 -3.397 239 HG21 ILE 34 1HG2 ILE 34 4.891 1.056 -3.842 240 HG22 ILE 34 2HG2 ILE 34 4.019 0.916 -2.316 241 HG23 ILE 34 3HG2 ILE 34 3.189 0.594 -3.838 242 HD11 ILE 34 3HD1 ILE 34 2.746 2.862 -5.828 243 HD12 ILE 34 1HD1 ILE 34 1.276 1.918 -5.585 244 HD13 ILE 34 2HD1 ILE 34 1.208 3.681 -5.555 245 H HIS 35 H HIS 35 1.729 4.409 -1.148 246 HA HIS 35 HA HIS 35 1.934 6.928 -2.575 247 HB2 HIS 35 1HB HIS 35 -0.157 5.861 -0.669 248 HB3 HIS 35 2HB HIS 35 -0.263 7.416 -1.490 249 HD1 HIS 35 HD1 HIS 35 0.392 6.784 -4.324 250 HD2 HIS 35 HD2 HIS 35 -1.874 4.228 -1.958 251 HE1 HIS 35 HE1 HIS 35 -0.934 5.378 -5.932 252 H THR 36 H THR 36 1.487 6.003 0.844 253 HA THR 36 HA THR 36 1.887 8.460 2.012 254 HB THR 36 HB THR 36 2.804 7.170 3.999 255 HG1 THR 36 HG1 THR 36 2.946 4.982 3.839 256 HG21 THR 36 3HG2 THR 36 0.366 5.708 3.287 257 HG22 THR 36 1HG2 THR 36 0.250 7.453 3.066 258 HG23 THR 36 2HG2 THR 36 0.682 6.790 4.643 259 H GLY 37 H GLY 37 3.884 8.892 3.528 260 HA2 GLY 37 1HA GLY 37 6.223 9.042 3.770 261 HA3 GLY 37 2HA GLY 37 6.412 8.280 2.197 262 H GLU 38 H GLU 38 5.443 11.291 3.787 263 HA GLU 38 HA GLU 38 5.493 12.837 1.390 264 HB2 GLU 38 1HB GLU 38 4.149 13.540 3.293 265 HB3 GLU 38 2HB GLU 38 5.589 13.678 4.292 266 HG2 GLU 38 1HG GLU 38 6.297 15.605 3.244 267 HG3 GLU 38 2HG GLU 38 5.365 15.277 1.784 268 H LYS 39 H LYS 39 7.318 13.100 0.282 269 HA LYS 39 HA LYS 39 9.902 12.750 1.033 270 HB2 LYS 39 1HB LYS 39 8.896 14.880 -0.863 271 HB3 LYS 39 2HB LYS 39 10.547 14.278 -0.792 272 HG2 LYS 39 1HG LYS 39 10.025 12.309 -1.811 273 HG3 LYS 39 2HG LYS 39 8.364 12.310 -1.211 274 HD2 LYS 39 1HD LYS 39 8.044 14.347 -2.764 275 HD3 LYS 39 2HD LYS 39 9.535 13.800 -3.536 276 HE2 LYS 39 1HE LYS 39 7.781 12.821 -4.770 277 HE3 LYS 39 2HE LYS 39 8.424 11.533 -3.753 278 HZ1 LYS 39 3HZ LYS 39 6.247 11.251 -3.302 279 HZ2 LYS 39 1HZ LYS 39 5.832 12.851 -3.662 280 HZ3 LYS 39 2HZ LYS 39 6.527 12.474 -2.167 281 HA PRO 40 HA PRO 40 10.948 15.881 3.944 282 HB2 PRO 40 1HB PRO 40 13.639 15.929 3.586 283 HB3 PRO 40 2HB PRO 40 12.803 14.612 4.419 284 HG2 PRO 40 1HG PRO 40 13.781 14.748 1.592 285 HG3 PRO 40 2HG PRO 40 13.893 13.411 2.752 286 HD2 PRO 40 1HD PRO 40 12.024 13.488 0.795 287 HD3 PRO 40 2HD PRO 40 11.723 12.734 2.374 288 H SER 41 H SER 41 12.233 16.125 0.657 289 HA SER 41 HA SER 41 12.136 19.060 0.915 290 HB2 SER 41 1HB SER 41 13.936 19.123 -0.824 291 HB3 SER 41 2HB SER 41 14.446 18.380 0.692 292 HG SER 41 HG SER 41 15.031 16.798 -0.563 293 H GLY 42 H GLY 42 10.087 19.341 0.093 294 HA2 GLY 42 1HA GLY 42 9.778 18.630 -2.756 295 HA3 GLY 42 2HA GLY 42 8.460 18.409 -1.615 296 HA PRO 43 HA PRO 43 7.029 22.452 -2.524 297 HB2 PRO 43 1HB PRO 43 5.836 23.110 -0.176 298 HB3 PRO 43 2HB PRO 43 5.156 21.929 -1.300 299 HG2 PRO 43 1HG PRO 43 6.751 21.472 1.192 300 HG3 PRO 43 2HG PRO 43 5.303 20.624 0.619 301 HD2 PRO 43 1HD PRO 43 7.796 19.609 0.327 302 HD3 PRO 43 2HD PRO 43 6.500 19.308 -0.847 303 H SER 44 H SER 44 8.600 23.942 -2.801 304 HA SER 44 HA SER 44 10.099 24.892 -0.471 305 HB2 SER 44 1HB SER 44 10.532 25.387 -3.427 306 HB3 SER 44 2HB SER 44 11.569 25.990 -2.135 307 HG SER 44 HG SER 44 12.553 24.152 -2.610 308 H SER 45 H SER 45 10.654 27.335 -0.632 309 HA SER 45 HA SER 45 8.267 28.867 -1.403 310 HB2 SER 45 1HB SER 45 9.539 28.659 1.290 311 HB3 SER 45 2HB SER 45 8.890 30.223 0.797 312 HG SER 45 HG SER 45 7.017 29.452 1.316 313 H GLY 46 H GLY 46 9.094 30.020 -3.057 314 HA2 GLY 46 1HA GLY 46 11.356 31.794 -2.425 315 HA3 GLY 46 2HA GLY 46 11.385 30.849 -3.907 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -29.649 12.131 -16.132 2 HA2 GLY 1 1HA GLY 1 -29.826 11.276 -13.953 3 HA3 GLY 1 2HA GLY 1 -31.534 11.691 -13.952 4 H SER 2 H SER 2 -29.199 9.248 -14.521 5 HA SER 2 HA SER 2 -31.271 7.421 -15.531 6 HB2 SER 2 1HB SER 2 -28.254 7.300 -15.668 7 HB3 SER 2 2HB SER 2 -29.291 5.941 -16.103 8 HG SER 2 HG SER 2 -29.721 6.886 -17.926 9 H SER 3 H SER 3 -30.796 5.057 -14.801 10 HA SER 3 HA SER 3 -30.861 5.092 -11.894 11 HB2 SER 3 1HB SER 3 -32.627 3.845 -12.936 12 HB3 SER 3 2HB SER 3 -31.482 2.943 -13.928 13 HG SER 3 HG SER 3 -31.901 1.595 -12.282 14 H GLY 4 H GLY 4 -29.248 3.093 -14.379 15 HA2 GLY 4 1HA GLY 4 -27.244 1.974 -14.346 16 HA3 GLY 4 2HA GLY 4 -26.669 3.314 -13.364 17 H SER 5 H SER 5 -25.466 2.259 -11.874 18 HA SER 5 HA SER 5 -24.934 0.945 -10.093 19 HB2 SER 5 1HB SER 5 -27.838 1.541 -9.673 20 HB3 SER 5 2HB SER 5 -27.034 0.397 -8.598 21 HG SER 5 HG SER 5 -27.007 2.986 -8.397 22 H SER 6 H SER 6 -25.269 -0.418 -12.508 23 HA SER 6 HA SER 6 -26.200 -3.030 -11.526 24 HB2 SER 6 1HB SER 6 -26.590 -1.990 -14.342 25 HB3 SER 6 2HB SER 6 -27.096 -3.565 -13.732 26 HG SER 6 HG SER 6 -28.317 -1.141 -13.510 27 H GLY 7 H GLY 7 -24.849 -4.707 -11.877 28 HA2 GLY 7 1HA GLY 7 -22.899 -5.805 -12.393 29 HA3 GLY 7 2HA GLY 7 -23.037 -5.021 -13.959 30 H THR 8 H THR 8 -22.273 -3.956 -10.641 31 HA THR 8 HA THR 8 -19.591 -3.259 -11.305 32 HB THR 8 HB THR 8 -20.723 -1.393 -12.441 33 HG1 THR 8 HG1 THR 8 -19.700 0.292 -10.904 34 HG21 THR 8 3HG2 THR 8 -21.958 -1.010 -9.733 35 HG22 THR 8 1HG2 THR 8 -22.742 -1.064 -11.311 36 HG23 THR 8 2HG2 THR 8 -21.780 0.341 -10.851 37 H GLY 9 H GLY 9 -18.361 -2.774 -9.496 38 HA2 GLY 9 1HA GLY 9 -17.968 -2.256 -7.243 39 HA3 GLY 9 2HA GLY 9 -19.700 -2.298 -6.953 40 H LYS 10 H LYS 10 -17.236 -4.603 -8.114 41 HA LYS 10 HA LYS 10 -18.144 -6.472 -6.032 42 HB2 LYS 10 1HB LYS 10 -17.745 -8.322 -7.703 43 HB3 LYS 10 2HB LYS 10 -19.144 -7.305 -8.022 44 HG2 LYS 10 1HG LYS 10 -18.251 -7.421 -10.111 45 HG3 LYS 10 2HG LYS 10 -17.427 -5.980 -9.510 46 HD2 LYS 10 1HD LYS 10 -15.485 -7.345 -8.906 47 HD3 LYS 10 2HD LYS 10 -16.312 -8.786 -9.503 48 HE2 LYS 10 1HE LYS 10 -15.855 -6.398 -11.261 49 HE3 LYS 10 2HE LYS 10 -14.612 -7.629 -11.046 50 HZ1 LYS 10 3HZ LYS 10 -16.386 -7.785 -12.960 51 HZ2 LYS 10 1HZ LYS 10 -17.309 -8.519 -11.747 52 HZ3 LYS 10 2HZ LYS 10 -15.810 -9.171 -12.181 53 H LYS 11 H LYS 11 -15.753 -4.600 -6.638 54 HA LYS 11 HA LYS 11 -13.508 -6.379 -6.833 55 HB2 LYS 11 1HB LYS 11 -13.783 -3.439 -6.227 56 HB3 LYS 11 2HB LYS 11 -12.229 -4.260 -6.179 57 HG2 LYS 11 1HG LYS 11 -12.200 -4.624 -8.462 58 HG3 LYS 11 2HG LYS 11 -13.951 -4.451 -8.613 59 HD2 LYS 11 1HD LYS 11 -13.579 -2.018 -7.895 60 HD3 LYS 11 2HD LYS 11 -11.875 -2.310 -8.248 61 HE2 LYS 11 1HE LYS 11 -12.522 -3.013 -10.536 62 HE3 LYS 11 2HE LYS 11 -14.190 -2.580 -10.163 63 HZ1 LYS 11 3HZ LYS 11 -13.744 -0.486 -10.669 64 HZ2 LYS 11 1HZ LYS 11 -12.166 -0.918 -11.101 65 HZ3 LYS 11 2HZ LYS 11 -12.504 -0.421 -9.520 66 HA PRO 12 HA PRO 12 -13.119 -7.490 -2.591 67 HB2 PRO 12 1HB PRO 12 -10.467 -8.068 -2.536 68 HB3 PRO 12 2HB PRO 12 -11.664 -9.117 -3.306 69 HG2 PRO 12 1HG PRO 12 -9.824 -7.110 -4.551 70 HG3 PRO 12 2HG PRO 12 -10.235 -8.745 -5.103 71 HD2 PRO 12 1HD PRO 12 -11.360 -6.522 -6.165 72 HD3 PRO 12 2HD PRO 12 -12.231 -8.064 -6.034 73 H TYR 13 H TYR 13 -10.457 -5.443 -3.804 74 HA TYR 13 HA TYR 13 -10.910 -3.490 -1.746 75 HB2 TYR 13 1HB TYR 13 -8.255 -4.930 -1.713 76 HB3 TYR 13 2HB TYR 13 -8.812 -3.687 -0.599 77 HD1 TYR 13 HD1 TYR 13 -10.540 -4.217 1.086 78 HD2 TYR 13 HD2 TYR 13 -8.892 -7.222 -1.436 79 HE1 TYR 13 HE1 TYR 13 -11.416 -5.953 2.592 80 HE2 TYR 13 HE2 TYR 13 -9.764 -8.966 0.063 81 HH TYR 13 HH TYR 13 -12.089 -8.484 2.288 82 H LYS 14 H LYS 14 -10.885 -1.768 -3.042 83 HA LYS 14 HA LYS 14 -8.744 -1.524 -5.040 84 HB2 LYS 14 1HB LYS 14 -10.945 -1.333 -6.000 85 HB3 LYS 14 2HB LYS 14 -11.419 -0.140 -4.797 86 HG2 LYS 14 1HG LYS 14 -9.532 1.299 -5.756 87 HG3 LYS 14 2HG LYS 14 -9.551 0.177 -7.118 88 HD2 LYS 14 1HD LYS 14 -11.885 0.676 -7.537 89 HD3 LYS 14 2HD LYS 14 -11.944 1.720 -6.115 90 HE2 LYS 14 1HE LYS 14 -9.971 2.241 -8.305 91 HE3 LYS 14 2HE LYS 14 -11.643 2.778 -8.464 92 HZ1 LYS 14 3HZ LYS 14 -10.191 4.495 -7.533 93 HZ2 LYS 14 1HZ LYS 14 -9.834 3.491 -6.219 94 HZ3 LYS 14 2HZ LYS 14 -11.412 4.054 -6.448 95 H CYS 15 H CYS 15 -7.433 0.283 -5.129 96 HA CYS 15 HA CYS 15 -7.098 1.684 -2.623 97 HB2 CYS 15 1HB CYS 15 -5.188 0.796 -4.016 98 HB3 CYS 15 2HB CYS 15 -5.537 2.070 -5.181 99 H ASN 16 H ASN 16 -7.856 3.639 -2.154 100 HA ASN 16 HA ASN 16 -9.373 5.100 -4.122 101 HB2 ASN 16 1HB ASN 16 -8.889 5.360 -1.179 102 HB3 ASN 16 2HB ASN 16 -9.534 6.738 -2.067 103 HD21 ASN 16 1HD2 ASN 16 -10.771 5.111 0.004 104 HD22 ASN 16 2HD2 ASN 16 -12.219 4.471 -0.689 105 H GLU 17 H GLU 17 -6.154 4.973 -3.345 106 HA GLU 17 HA GLU 17 -5.582 7.795 -3.675 107 HB2 GLU 17 1HB GLU 17 -3.747 5.405 -3.442 108 HB3 GLU 17 2HB GLU 17 -3.211 7.078 -3.508 109 HG2 GLU 17 1HG GLU 17 -5.036 5.983 -1.385 110 HG3 GLU 17 2HG GLU 17 -3.284 6.093 -1.224 111 H CYS 18 H CYS 18 -4.913 4.787 -5.456 112 HA CYS 18 HA CYS 18 -4.435 6.419 -7.862 113 HB2 CYS 18 1HB CYS 18 -3.188 4.418 -8.715 114 HB3 CYS 18 2HB CYS 18 -2.459 5.175 -7.302 115 H GLY 19 H GLY 19 -5.940 3.441 -6.662 116 HA2 GLY 19 1HA GLY 19 -8.267 3.080 -7.431 117 HA3 GLY 19 2HA GLY 19 -7.696 3.499 -9.040 118 H LYS 20 H LYS 20 -5.434 1.686 -7.309 119 HA LYS 20 HA LYS 20 -5.573 -0.499 -9.092 120 HB2 LYS 20 1HB LYS 20 -3.631 0.410 -7.535 121 HB3 LYS 20 2HB LYS 20 -4.267 -0.797 -6.425 122 HG2 LYS 20 1HG LYS 20 -3.588 -2.547 -7.714 123 HG3 LYS 20 2HG LYS 20 -3.717 -1.633 -9.219 124 HD2 LYS 20 1HD LYS 20 -1.661 -0.830 -7.214 125 HD3 LYS 20 2HD LYS 20 -1.369 -2.258 -8.210 126 HE2 LYS 20 1HE LYS 20 -0.391 -0.435 -9.357 127 HE3 LYS 20 2HE LYS 20 -1.882 -0.817 -10.215 128 HZ1 LYS 20 3HZ LYS 20 -1.503 1.593 -9.835 129 HZ2 LYS 20 1HZ LYS 20 -1.661 1.324 -8.172 130 HZ3 LYS 20 2HZ LYS 20 -2.967 1.026 -9.205 131 H VAL 21 H VAL 21 -5.505 -2.830 -7.974 132 HA VAL 21 HA VAL 21 -7.634 -3.132 -6.010 133 HB VAL 21 HB VAL 21 -7.800 -4.535 -8.680 134 HG11 VAL 21 1HG1 VAL 21 -8.680 -5.668 -6.573 135 HG12 VAL 21 2HG1 VAL 21 -9.905 -4.398 -6.541 136 HG13 VAL 21 3HG1 VAL 21 -9.804 -5.493 -7.920 137 HG21 VAL 21 3HG2 VAL 21 -9.373 -2.197 -7.607 138 HG22 VAL 21 1HG2 VAL 21 -8.319 -2.215 -9.021 139 HG23 VAL 21 2HG2 VAL 21 -9.826 -3.133 -9.031 140 H PHE 22 H PHE 22 -7.498 -5.004 -4.826 141 HA PHE 22 HA PHE 22 -5.572 -7.046 -5.631 142 HB2 PHE 22 1HB PHE 22 -5.447 -5.962 -2.830 143 HB3 PHE 22 2HB PHE 22 -4.254 -6.926 -3.695 144 HD1 PHE 22 HD2 PHE 22 -5.771 -3.568 -3.453 145 HD2 PHE 22 HD1 PHE 22 -2.559 -5.911 -4.973 146 HE1 PHE 22 HE2 PHE 22 -4.572 -1.512 -4.079 147 HE2 PHE 22 HE1 PHE 22 -1.354 -3.859 -5.601 148 HZ PHE 22 HZ PHE 22 -2.361 -1.656 -5.155 149 H THR 23 H THR 23 -6.127 -9.068 -5.011 150 HA THR 23 HA THR 23 -8.735 -9.413 -3.803 151 HB THR 23 HB THR 23 -8.018 -10.767 -5.769 152 HG1 THR 23 HG1 THR 23 -8.996 -12.612 -4.985 153 HG21 THR 23 3HG2 THR 23 -6.458 -12.609 -4.077 154 HG22 THR 23 1HG2 THR 23 -5.662 -11.087 -4.476 155 HG23 THR 23 2HG2 THR 23 -6.230 -12.150 -5.764 156 H GLN 24 H GLN 24 -6.554 -8.400 -2.133 157 HA GLN 24 HA GLN 24 -6.959 -10.127 0.120 158 HB2 GLN 24 1HB GLN 24 -4.196 -9.852 -1.067 159 HB3 GLN 24 2HB GLN 24 -4.506 -10.435 0.563 160 HG2 GLN 24 1HG GLN 24 -5.958 -12.216 -0.507 161 HG3 GLN 24 2HG GLN 24 -5.248 -11.721 -2.043 162 HE21 GLN 24 1HE2 GLN 24 -3.880 -13.263 -2.603 163 HE22 GLN 24 2HE2 GLN 24 -2.655 -13.942 -1.593 164 H ASN 25 H ASN 25 -7.597 -8.583 1.485 165 HA ASN 25 HA ASN 25 -7.153 -5.932 1.531 166 HB2 ASN 25 1HB ASN 25 -8.616 -6.766 3.171 167 HB3 ASN 25 2HB ASN 25 -7.404 -7.866 3.821 168 HD21 ASN 25 1HD2 ASN 25 -5.526 -6.854 4.872 169 HD22 ASN 25 2HD2 ASN 25 -5.779 -5.401 5.772 170 H SER 26 H SER 26 -4.912 -8.389 2.687 171 HA SER 26 HA SER 26 -3.046 -6.641 3.882 172 HB2 SER 26 1HB SER 26 -2.844 -9.445 2.800 173 HB3 SER 26 2HB SER 26 -1.440 -8.611 3.467 174 HG SER 26 HG SER 26 -3.165 -9.957 4.819 175 H HIS 27 H HIS 27 -3.290 -7.992 0.618 176 HA HIS 27 HA HIS 27 -0.875 -7.006 -0.395 177 HB2 HIS 27 1HB HIS 27 -3.478 -7.821 -1.635 178 HB3 HIS 27 2HB HIS 27 -2.241 -7.061 -2.633 179 HD2 HIS 27 HD2 HIS 27 -2.280 -10.179 -0.174 180 HE1 HIS 27 HE1 HIS 27 0.195 -11.003 -3.520 181 HE2 HIS 27 HE2 HIS 27 -0.834 -11.928 -1.415 182 H LEU 28 H LEU 28 -4.016 -5.492 -0.009 183 HA LEU 28 HA LEU 28 -3.357 -3.158 -1.537 184 HB2 LEU 28 1HB LEU 28 -5.643 -3.693 -1.419 185 HB3 LEU 28 2HB LEU 28 -5.593 -3.870 0.334 186 HG LEU 28 HG LEU 28 -5.317 -1.439 0.559 187 HD11 LEU 28 1HD1 LEU 28 -5.772 -1.320 -2.416 188 HD12 LEU 28 2HD1 LEU 28 -4.202 -1.109 -1.641 189 HD13 LEU 28 3HD1 LEU 28 -5.506 0.033 -1.316 190 HD21 LEU 28 3HD2 LEU 28 -7.564 -2.571 0.495 191 HD22 LEU 28 1HD2 LEU 28 -7.685 -2.065 -1.190 192 HD23 LEU 28 2HD2 LEU 28 -7.567 -0.854 0.087 193 H ALA 29 H ALA 29 -3.836 -3.742 1.949 194 HA ALA 29 HA ALA 29 -3.199 -1.284 2.959 195 HB1 ALA 29 3HB ALA 29 -2.585 -4.019 4.046 196 HB2 ALA 29 1HB ALA 29 -2.294 -2.538 4.959 197 HB3 ALA 29 2HB ALA 29 -3.932 -2.957 4.456 198 H ARG 30 H ARG 30 -0.894 -3.892 2.205 199 HA ARG 30 HA ARG 30 1.421 -2.453 2.921 200 HB2 ARG 30 1HB ARG 30 2.656 -4.177 1.757 201 HB3 ARG 30 2HB ARG 30 1.336 -4.914 2.654 202 HG2 ARG 30 1HG ARG 30 0.020 -5.018 0.569 203 HG3 ARG 30 2HG ARG 30 1.409 -4.368 -0.305 204 HD2 ARG 30 1HD ARG 30 1.324 -6.786 -0.520 205 HD3 ARG 30 2HD ARG 30 2.745 -6.298 0.402 206 HE ARG 30 HE ARG 30 0.463 -7.792 1.370 207 HH11 ARG 30 1HH1 ARG 30 3.283 -5.919 2.183 208 HH12 ARG 30 2HH1 ARG 30 3.423 -6.580 3.778 209 HH21 ARG 30 1HH2 ARG 30 0.636 -8.669 3.468 210 HH22 ARG 30 2HH2 ARG 30 1.917 -8.145 4.508 211 H HIS 31 H HIS 31 -0.401 -2.688 -0.074 212 HA HIS 31 HA HIS 31 1.488 -1.454 -1.766 213 HB2 HIS 31 1HB HIS 31 -0.138 -2.464 -3.020 214 HB3 HIS 31 2HB HIS 31 -1.422 -2.049 -1.888 215 HD1 HIS 31 HD1 HIS 31 0.441 -0.732 -4.849 216 HD2 HIS 31 HD2 HIS 31 -2.682 0.405 -2.356 217 HE1 HIS 31 HE1 HIS 31 -0.645 1.232 -5.984 218 H ARG 32 H ARG 32 -1.366 -0.111 -0.107 219 HA ARG 32 HA ARG 32 -1.369 2.467 -0.866 220 HB2 ARG 32 1HB ARG 32 -1.561 1.546 2.008 221 HB3 ARG 32 2HB ARG 32 -2.151 3.080 1.381 222 HG2 ARG 32 1HG ARG 32 -3.807 1.978 0.056 223 HG3 ARG 32 2HG ARG 32 -3.135 0.394 0.449 224 HD2 ARG 32 1HD ARG 32 -5.069 0.715 1.807 225 HD3 ARG 32 2HD ARG 32 -3.655 0.861 2.849 226 HE ARG 32 HE ARG 32 -4.195 3.058 3.226 227 HH11 ARG 32 1HH1 ARG 32 -6.040 1.859 0.528 228 HH12 ARG 32 2HH1 ARG 32 -7.055 3.260 0.432 229 HH21 ARG 32 1HH2 ARG 32 -5.525 4.908 3.110 230 HH22 ARG 32 2HH2 ARG 32 -6.761 4.994 1.900 231 H GLY 33 H GLY 33 1.139 0.907 0.951 232 HA2 GLY 33 1HA GLY 33 2.408 3.072 2.151 233 HA3 GLY 33 2HA GLY 33 3.224 1.620 1.592 234 H ILE 34 H ILE 34 2.824 1.805 -1.140 235 HA ILE 34 HA ILE 34 4.930 3.348 -1.998 236 HB ILE 34 HB ILE 34 4.141 3.068 -4.251 237 HG12 ILE 34 1HG1 ILE 34 1.534 1.911 -3.379 238 HG13 ILE 34 2HG1 ILE 34 1.690 3.664 -3.406 239 HG21 ILE 34 1HG2 ILE 34 4.121 0.895 -2.325 240 HG22 ILE 34 2HG2 ILE 34 3.171 0.530 -3.764 241 HG23 ILE 34 3HG2 ILE 34 4.867 0.986 -3.920 242 HD11 ILE 34 3HD1 ILE 34 1.199 1.875 -5.558 243 HD12 ILE 34 1HD1 ILE 34 1.259 3.637 -5.569 244 HD13 ILE 34 2HD1 ILE 34 2.730 2.703 -5.841 245 H HIS 35 H HIS 35 1.747 4.365 -1.194 246 HA HIS 35 HA HIS 35 1.933 6.872 -2.640 247 HB2 HIS 35 1HB HIS 35 -0.140 5.691 -0.795 248 HB3 HIS 35 2HB HIS 35 -0.249 7.343 -1.397 249 HD1 HIS 35 HD1 HIS 35 -0.149 7.456 -4.168 250 HD2 HIS 35 HD2 HIS 35 -1.358 3.894 -2.403 251 HE1 HIS 35 HE1 HIS 35 -1.369 6.193 -5.969 252 H THR 36 H THR 36 1.724 5.868 0.772 253 HA THR 36 HA THR 36 2.999 8.425 1.502 254 HB THR 36 HB THR 36 0.955 8.598 2.563 255 HG1 THR 36 HG1 THR 36 2.421 7.081 4.480 256 HG21 THR 36 3HG2 THR 36 1.037 5.666 3.276 257 HG22 THR 36 1HG2 THR 36 0.183 6.330 1.884 258 HG23 THR 36 2HG2 THR 36 -0.308 6.780 3.517 259 H GLY 37 H GLY 37 5.047 8.170 2.093 260 HA2 GLY 37 1HA GLY 37 6.258 7.090 4.099 261 HA3 GLY 37 2HA GLY 37 5.871 5.596 3.258 262 H GLU 38 H GLU 38 6.941 8.708 1.934 263 HA GLU 38 HA GLU 38 9.375 7.357 0.968 264 HB2 GLU 38 1HB GLU 38 9.237 8.693 -1.084 265 HB3 GLU 38 2HB GLU 38 7.817 7.677 -0.884 266 HG2 GLU 38 1HG GLU 38 6.425 9.450 -0.498 267 HG3 GLU 38 2HG GLU 38 7.721 10.473 0.121 268 H LYS 39 H LYS 39 9.414 8.670 3.358 269 HA LYS 39 HA LYS 39 10.161 11.413 3.110 270 HB2 LYS 39 1HB LYS 39 10.832 11.235 5.452 271 HB3 LYS 39 2HB LYS 39 9.255 10.500 5.199 272 HG2 LYS 39 1HG LYS 39 10.727 8.319 4.909 273 HG3 LYS 39 2HG LYS 39 11.845 9.247 5.912 274 HD2 LYS 39 1HD LYS 39 10.397 9.291 7.713 275 HD3 LYS 39 2HD LYS 39 8.970 9.045 6.704 276 HE2 LYS 39 1HE LYS 39 9.398 7.043 7.973 277 HE3 LYS 39 2HE LYS 39 9.728 6.730 6.270 278 HZ1 LYS 39 3HZ LYS 39 11.611 6.961 8.512 279 HZ2 LYS 39 1HZ LYS 39 12.136 7.367 6.955 280 HZ3 LYS 39 2HZ LYS 39 11.554 5.811 7.273 281 HA PRO 40 HA PRO 40 14.353 10.984 1.836 282 HB2 PRO 40 1HB PRO 40 15.331 13.338 2.772 283 HB3 PRO 40 2HB PRO 40 14.279 13.230 1.355 284 HG2 PRO 40 1HG PRO 40 13.586 13.946 4.178 285 HG3 PRO 40 2HG PRO 40 13.042 14.698 2.667 286 HD2 PRO 40 1HD PRO 40 11.516 12.942 4.053 287 HD3 PRO 40 2HD PRO 40 11.453 13.072 2.284 288 H SER 41 H SER 41 13.338 10.684 4.954 289 HA SER 41 HA SER 41 15.266 11.090 6.747 290 HB2 SER 41 1HB SER 41 14.660 8.978 7.855 291 HB3 SER 41 2HB SER 41 13.229 9.807 7.245 292 HG SER 41 HG SER 41 13.570 8.389 5.317 293 H GLY 42 H GLY 42 15.344 8.390 4.428 294 HA2 GLY 42 1HA GLY 42 17.686 8.198 3.418 295 HA3 GLY 42 2HA GLY 42 18.193 8.011 5.090 296 HA PRO 43 HA PRO 43 17.227 3.844 3.137 297 HB2 PRO 43 1HB PRO 43 19.713 2.794 3.429 298 HB3 PRO 43 2HB PRO 43 19.217 3.702 1.997 299 HG2 PRO 43 1HG PRO 43 20.794 4.621 4.369 300 HG3 PRO 43 2HG PRO 43 21.065 4.952 2.649 301 HD2 PRO 43 1HD PRO 43 19.884 6.737 4.307 302 HD3 PRO 43 2HD PRO 43 19.466 6.611 2.587 303 H SER 44 H SER 44 15.962 3.592 5.067 304 HA SER 44 HA SER 44 15.552 2.986 7.262 305 HB2 SER 44 1HB SER 44 16.266 0.624 7.645 306 HB3 SER 44 2HB SER 44 15.509 0.875 6.072 307 HG SER 44 HG SER 44 18.311 0.850 6.525 308 H SER 45 H SER 45 17.602 4.845 7.280 309 HA SER 45 HA SER 45 19.809 3.836 8.843 310 HB2 SER 45 1HB SER 45 20.564 6.175 8.887 311 HB3 SER 45 2HB SER 45 20.152 5.678 7.246 312 HG SER 45 HG SER 45 19.061 7.507 7.377 313 H GLY 46 H GLY 46 19.371 3.226 10.872 314 HA2 GLY 46 1HA GLY 46 17.962 5.166 12.590 315 HA3 GLY 46 2HA GLY 46 17.568 3.455 12.658 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -42.128 2.756 -11.017 2 HA2 GLY 1 1HA GLY 1 -41.659 1.055 -13.226 3 HA3 GLY 1 2HA GLY 1 -40.944 2.642 -12.982 4 H SER 2 H SER 2 -40.115 -0.378 -13.620 5 HA SER 2 HA SER 2 -37.667 -0.268 -11.981 6 HB2 SER 2 1HB SER 2 -39.356 -2.583 -12.862 7 HB3 SER 2 2HB SER 2 -37.632 -2.823 -12.584 8 HG SER 2 HG SER 2 -39.671 -2.339 -10.782 9 H SER 3 H SER 3 -36.617 1.029 -13.548 10 HA SER 3 HA SER 3 -36.125 -0.237 -16.149 11 HB2 SER 3 1HB SER 3 -35.925 2.586 -15.149 12 HB3 SER 3 2HB SER 3 -35.015 2.092 -16.576 13 HG SER 3 HG SER 3 -37.097 2.930 -17.089 14 H GLY 4 H GLY 4 -34.423 -1.559 -16.127 15 HA2 GLY 4 1HA GLY 4 -32.184 -2.138 -16.060 16 HA3 GLY 4 2HA GLY 4 -31.826 -0.532 -15.443 17 H SER 5 H SER 5 -30.473 -2.672 -14.444 18 HA SER 5 HA SER 5 -31.762 -3.352 -11.903 19 HB2 SER 5 1HB SER 5 -30.555 -5.047 -13.492 20 HB3 SER 5 2HB SER 5 -29.086 -4.414 -12.749 21 HG SER 5 HG SER 5 -30.515 -4.861 -10.716 22 H SER 6 H SER 6 -30.937 -2.776 -9.934 23 HA SER 6 HA SER 6 -29.588 -0.368 -9.671 24 HB2 SER 6 1HB SER 6 -29.310 -0.969 -7.290 25 HB3 SER 6 2HB SER 6 -30.936 -1.331 -7.868 26 HG SER 6 HG SER 6 -30.461 -3.195 -6.964 27 H GLY 7 H GLY 7 -27.480 -0.051 -8.476 28 HA2 GLY 7 1HA GLY 7 -25.395 -1.336 -9.977 29 HA3 GLY 7 2HA GLY 7 -25.185 -0.099 -8.746 30 H THR 8 H THR 8 -25.883 -3.547 -9.183 31 HA THR 8 HA THR 8 -25.009 -4.101 -6.457 32 HB THR 8 HB THR 8 -25.966 -6.069 -8.542 33 HG1 THR 8 HG1 THR 8 -27.748 -4.895 -8.186 34 HG21 THR 8 3HG2 THR 8 -26.389 -7.521 -6.628 35 HG22 THR 8 1HG2 THR 8 -25.784 -6.278 -5.533 36 HG23 THR 8 2HG2 THR 8 -24.691 -7.049 -6.682 37 H GLY 9 H GLY 9 -23.338 -5.613 -5.976 38 HA2 GLY 9 1HA GLY 9 -21.414 -6.862 -6.420 39 HA3 GLY 9 2HA GLY 9 -21.570 -6.454 -8.122 40 H LYS 10 H LYS 10 -19.604 -6.099 -5.577 41 HA LYS 10 HA LYS 10 -18.357 -3.728 -6.730 42 HB2 LYS 10 1HB LYS 10 -19.415 -3.941 -3.945 43 HB3 LYS 10 2HB LYS 10 -17.926 -3.044 -4.213 44 HG2 LYS 10 1HG LYS 10 -20.471 -2.490 -5.713 45 HG3 LYS 10 2HG LYS 10 -20.034 -1.683 -4.205 46 HD2 LYS 10 1HD LYS 10 -18.209 -1.716 -6.595 47 HD3 LYS 10 2HD LYS 10 -19.453 -0.482 -6.378 48 HE2 LYS 10 1HE LYS 10 -17.273 -1.104 -4.388 49 HE3 LYS 10 2HE LYS 10 -17.220 0.214 -5.558 50 HZ1 LYS 10 3HZ LYS 10 -18.404 1.469 -4.193 51 HZ2 LYS 10 1HZ LYS 10 -18.351 0.245 -3.026 52 HZ3 LYS 10 2HZ LYS 10 -19.642 0.319 -4.117 53 H LYS 11 H LYS 11 -16.120 -3.523 -6.242 54 HA LYS 11 HA LYS 11 -14.737 -5.976 -6.090 55 HB2 LYS 11 1HB LYS 11 -13.949 -3.096 -6.099 56 HB3 LYS 11 2HB LYS 11 -12.744 -4.293 -5.644 57 HG2 LYS 11 1HG LYS 11 -12.347 -4.182 -7.877 58 HG3 LYS 11 2HG LYS 11 -13.570 -5.454 -7.866 59 HD2 LYS 11 1HD LYS 11 -14.261 -3.992 -9.562 60 HD3 LYS 11 2HD LYS 11 -15.272 -3.568 -8.178 61 HE2 LYS 11 1HE LYS 11 -14.610 -1.483 -8.849 62 HE3 LYS 11 2HE LYS 11 -13.324 -1.863 -7.704 63 HZ1 LYS 11 3HZ LYS 11 -12.073 -2.736 -9.709 64 HZ2 LYS 11 1HZ LYS 11 -12.246 -1.057 -9.595 65 HZ3 LYS 11 2HZ LYS 11 -13.223 -1.938 -10.658 66 HA PRO 12 HA PRO 12 -14.090 -6.671 -1.806 67 HB2 PRO 12 1HB PRO 12 -11.523 -7.551 -1.741 68 HB3 PRO 12 2HB PRO 12 -12.854 -8.517 -2.390 69 HG2 PRO 12 1HG PRO 12 -10.828 -6.863 -3.846 70 HG3 PRO 12 2HG PRO 12 -11.441 -8.480 -4.237 71 HD2 PRO 12 1HD PRO 12 -12.329 -6.245 -5.482 72 HD3 PRO 12 2HD PRO 12 -13.369 -7.655 -5.195 73 H TYR 13 H TYR 13 -11.208 -5.107 -3.223 74 HA TYR 13 HA TYR 13 -11.370 -2.980 -1.261 75 HB2 TYR 13 1HB TYR 13 -8.832 -4.604 -1.443 76 HB3 TYR 13 2HB TYR 13 -9.193 -3.299 -0.319 77 HD1 TYR 13 HD1 TYR 13 -10.740 -3.670 1.560 78 HD2 TYR 13 HD2 TYR 13 -9.614 -6.840 -1.045 79 HE1 TYR 13 HE1 TYR 13 -11.569 -5.304 3.200 80 HE2 TYR 13 HE2 TYR 13 -10.440 -8.483 0.587 81 HH TYR 13 HH TYR 13 -11.864 -8.676 2.446 82 H LYS 14 H LYS 14 -10.812 -1.111 -2.169 83 HA LYS 14 HA LYS 14 -9.040 -1.162 -4.520 84 HB2 LYS 14 1HB LYS 14 -11.395 -0.840 -5.202 85 HB3 LYS 14 2HB LYS 14 -11.490 0.575 -4.161 86 HG2 LYS 14 1HG LYS 14 -9.407 1.324 -5.615 87 HG3 LYS 14 2HG LYS 14 -10.153 0.229 -6.783 88 HD2 LYS 14 1HD LYS 14 -11.243 2.158 -7.332 89 HD3 LYS 14 2HD LYS 14 -12.334 1.561 -6.079 90 HE2 LYS 14 1HE LYS 14 -10.052 3.301 -5.282 91 HE3 LYS 14 2HE LYS 14 -11.447 4.044 -6.061 92 HZ1 LYS 14 3HZ LYS 14 -11.506 2.390 -3.594 93 HZ2 LYS 14 1HZ LYS 14 -12.862 3.062 -4.352 94 HZ3 LYS 14 2HZ LYS 14 -11.688 4.070 -3.670 95 H CYS 15 H CYS 15 -7.653 0.592 -4.782 96 HA CYS 15 HA CYS 15 -7.017 1.993 -2.332 97 HB2 CYS 15 1HB CYS 15 -5.294 0.960 -3.875 98 HB3 CYS 15 2HB CYS 15 -5.646 2.260 -5.009 99 H ASN 16 H ASN 16 -7.882 3.884 -1.825 100 HA ASN 16 HA ASN 16 -9.368 5.439 -3.698 101 HB2 ASN 16 1HB ASN 16 -8.517 5.948 -0.844 102 HB3 ASN 16 2HB ASN 16 -9.508 7.074 -1.767 103 HD21 ASN 16 1HD2 ASN 16 -11.519 6.168 -2.692 104 HD22 ASN 16 2HD2 ASN 16 -12.390 5.011 -1.749 105 H GLU 17 H GLU 17 -6.098 5.180 -3.131 106 HA GLU 17 HA GLU 17 -5.428 7.959 -3.594 107 HB2 GLU 17 1HB GLU 17 -3.661 5.508 -3.470 108 HB3 GLU 17 2HB GLU 17 -3.095 7.171 -3.539 109 HG2 GLU 17 1HG GLU 17 -2.970 6.358 -1.280 110 HG3 GLU 17 2HG GLU 17 -4.196 7.619 -1.392 111 H CYS 18 H CYS 18 -4.923 4.883 -5.322 112 HA CYS 18 HA CYS 18 -4.621 6.432 -7.809 113 HB2 CYS 18 1HB CYS 18 -3.431 4.429 -8.690 114 HB3 CYS 18 2HB CYS 18 -2.621 5.171 -7.314 115 H GLY 19 H GLY 19 -6.019 3.468 -6.441 116 HA2 GLY 19 1HA GLY 19 -8.408 3.107 -7.012 117 HA3 GLY 19 2HA GLY 19 -7.962 3.489 -8.669 118 H LYS 20 H LYS 20 -5.649 1.670 -6.945 119 HA LYS 20 HA LYS 20 -6.025 -0.585 -8.682 120 HB2 LYS 20 1HB LYS 20 -3.831 0.430 -7.593 121 HB3 LYS 20 2HB LYS 20 -4.218 -0.709 -6.310 122 HG2 LYS 20 1HG LYS 20 -4.166 -2.547 -7.897 123 HG3 LYS 20 2HG LYS 20 -3.835 -1.418 -9.213 124 HD2 LYS 20 1HD LYS 20 -1.731 -0.782 -8.142 125 HD3 LYS 20 2HD LYS 20 -2.066 -1.895 -6.813 126 HE2 LYS 20 1HE LYS 20 -1.781 -3.778 -8.164 127 HE3 LYS 20 2HE LYS 20 -1.978 -2.854 -9.652 128 HZ1 LYS 20 3HZ LYS 20 0.386 -3.248 -8.017 129 HZ2 LYS 20 1HZ LYS 20 0.174 -1.681 -8.618 130 HZ3 LYS 20 2HZ LYS 20 0.251 -2.992 -9.684 131 H VAL 21 H VAL 21 -6.783 -2.602 -8.195 132 HA VAL 21 HA VAL 21 -8.136 -2.875 -5.593 133 HB VAL 21 HB VAL 21 -8.764 -4.386 -8.130 134 HG11 VAL 21 1HG1 VAL 21 -9.374 -5.136 -5.646 135 HG12 VAL 21 2HG1 VAL 21 -10.719 -4.030 -5.934 136 HG13 VAL 21 3HG1 VAL 21 -10.458 -5.403 -7.011 137 HG21 VAL 21 3HG2 VAL 21 -9.722 -1.760 -7.110 138 HG22 VAL 21 1HG2 VAL 21 -9.434 -2.293 -8.766 139 HG23 VAL 21 2HG2 VAL 21 -10.880 -2.824 -7.907 140 H PHE 22 H PHE 22 -7.808 -4.660 -4.341 141 HA PHE 22 HA PHE 22 -5.955 -6.707 -5.352 142 HB2 PHE 22 1HB PHE 22 -5.852 -5.654 -2.528 143 HB3 PHE 22 2HB PHE 22 -4.683 -6.689 -3.342 144 HD1 PHE 22 HD2 PHE 22 -6.229 -3.312 -3.684 145 HD2 PHE 22 HD1 PHE 22 -2.758 -5.732 -4.147 146 HE1 PHE 22 HE2 PHE 22 -4.935 -1.325 -4.340 147 HE2 PHE 22 HE1 PHE 22 -1.459 -3.749 -4.802 148 HZ PHE 22 HZ PHE 22 -2.547 -1.542 -4.901 149 H THR 23 H THR 23 -6.749 -8.688 -5.167 150 HA THR 23 HA THR 23 -9.233 -9.357 -4.226 151 HB THR 23 HB THR 23 -8.318 -11.724 -3.989 152 HG1 THR 23 HG1 THR 23 -6.167 -11.337 -3.557 153 HG21 THR 23 3HG2 THR 23 -7.427 -10.810 -6.643 154 HG22 THR 23 1HG2 THR 23 -9.051 -10.302 -6.180 155 HG23 THR 23 2HG2 THR 23 -8.637 -12.017 -6.206 156 H GLN 24 H GLN 24 -6.217 -9.192 -2.429 157 HA GLN 24 HA GLN 24 -7.719 -9.793 0.034 158 HB2 GLN 24 1HB GLN 24 -4.787 -10.254 -0.542 159 HB3 GLN 24 2HB GLN 24 -5.571 -10.544 1.005 160 HG2 GLN 24 1HG GLN 24 -6.104 -11.971 -1.588 161 HG3 GLN 24 2HG GLN 24 -5.308 -12.623 -0.156 162 HE21 GLN 24 1HE2 GLN 24 -7.772 -13.399 -1.656 163 HE22 GLN 24 2HE2 GLN 24 -9.010 -13.484 -0.455 164 H ASN 25 H ASN 25 -7.709 -8.320 1.632 165 HA ASN 25 HA ASN 25 -7.007 -5.675 1.178 166 HB2 ASN 25 1HB ASN 25 -7.287 -5.373 3.639 167 HB3 ASN 25 2HB ASN 25 -8.614 -6.254 2.887 168 HD21 ASN 25 1HD2 ASN 25 -8.829 -8.467 3.267 169 HD22 ASN 25 2HD2 ASN 25 -8.046 -9.241 4.598 170 H SER 26 H SER 26 -5.217 -8.210 2.884 171 HA SER 26 HA SER 26 -3.136 -6.770 3.947 172 HB2 SER 26 1HB SER 26 -3.196 -9.530 2.734 173 HB3 SER 26 2HB SER 26 -1.744 -8.876 3.493 174 HG SER 26 HG SER 26 -2.745 -8.855 5.426 175 H HIS 27 H HIS 27 -3.443 -7.988 0.632 176 HA HIS 27 HA HIS 27 -0.918 -7.147 -0.279 177 HB2 HIS 27 1HB HIS 27 -3.517 -7.698 -1.704 178 HB3 HIS 27 2HB HIS 27 -2.060 -7.219 -2.569 179 HD2 HIS 27 HD2 HIS 27 -2.441 -9.985 0.246 180 HE1 HIS 27 HE1 HIS 27 -0.633 -11.675 -3.200 181 HE2 HIS 27 HE2 HIS 27 -1.463 -12.108 -0.861 182 H LEU 28 H LEU 28 -3.953 -5.467 0.112 183 HA LEU 28 HA LEU 28 -3.171 -3.173 -1.432 184 HB2 LEU 28 1HB LEU 28 -5.485 -3.597 -1.330 185 HB3 LEU 28 2HB LEU 28 -5.456 -3.764 0.425 186 HG LEU 28 HG LEU 28 -4.985 -1.323 0.586 187 HD11 LEU 28 1HD1 LEU 28 -5.498 -1.415 -2.383 188 HD12 LEU 28 2HD1 LEU 28 -4.002 -0.938 -1.580 189 HD13 LEU 28 3HD1 LEU 28 -5.449 0.056 -1.410 190 HD21 LEU 28 3HD2 LEU 28 -7.375 -2.637 0.198 191 HD22 LEU 28 1HD2 LEU 28 -7.463 -1.289 -0.936 192 HD23 LEU 28 2HD2 LEU 28 -7.181 -0.982 0.777 193 H ALA 29 H ALA 29 -3.772 -3.684 2.049 194 HA ALA 29 HA ALA 29 -3.015 -1.293 3.082 195 HB1 ALA 29 3HB ALA 29 -1.805 -3.268 4.730 196 HB2 ALA 29 1HB ALA 29 -3.327 -2.411 4.970 197 HB3 ALA 29 2HB ALA 29 -3.302 -3.930 4.073 198 H ARG 30 H ARG 30 -0.841 -3.896 2.057 199 HA ARG 30 HA ARG 30 1.541 -2.546 2.855 200 HB2 ARG 30 1HB ARG 30 2.711 -4.297 1.614 201 HB3 ARG 30 2HB ARG 30 1.449 -4.986 2.627 202 HG2 ARG 30 1HG ARG 30 -0.021 -5.089 0.627 203 HG3 ARG 30 2HG ARG 30 1.349 -4.553 -0.349 204 HD2 ARG 30 1HD ARG 30 2.600 -6.546 0.679 205 HD3 ARG 30 2HD ARG 30 1.005 -7.122 1.162 206 HE ARG 30 HE ARG 30 1.126 -6.456 -1.613 207 HH11 ARG 30 1HH1 ARG 30 1.880 -8.921 0.727 208 HH12 ARG 30 2HH1 ARG 30 1.801 -10.217 -0.420 209 HH21 ARG 30 1HH2 ARG 30 1.019 -8.154 -3.132 210 HH22 ARG 30 2HH2 ARG 30 1.312 -9.780 -2.615 211 H HIS 31 H HIS 31 -0.385 -2.646 -0.060 212 HA HIS 31 HA HIS 31 1.557 -1.451 -1.769 213 HB2 HIS 31 1HB HIS 31 -0.025 -2.507 -3.044 214 HB3 HIS 31 2HB HIS 31 -1.337 -2.108 -1.939 215 HD1 HIS 31 HD1 HIS 31 0.600 -0.729 -4.837 216 HD2 HIS 31 HD2 HIS 31 -2.681 0.267 -2.490 217 HE1 HIS 31 HE1 HIS 31 -0.512 1.193 -6.017 218 H ARG 32 H ARG 32 -1.360 -0.168 -0.172 219 HA ARG 32 HA ARG 32 -1.407 2.406 -0.940 220 HB2 ARG 32 1HB ARG 32 -1.687 1.379 1.888 221 HB3 ARG 32 2HB ARG 32 -2.147 2.998 1.380 222 HG2 ARG 32 1HG ARG 32 -3.911 2.212 0.065 223 HG3 ARG 32 2HG ARG 32 -3.286 0.561 0.060 224 HD2 ARG 32 1HD ARG 32 -4.096 0.102 2.145 225 HD3 ARG 32 2HD ARG 32 -3.973 1.778 2.680 226 HE ARG 32 HE ARG 32 -5.979 1.323 0.664 227 HH11 ARG 32 1HH1 ARG 32 -5.276 1.366 4.073 228 HH12 ARG 32 2HH1 ARG 32 -6.925 1.618 4.542 229 HH21 ARG 32 1HH2 ARG 32 -8.153 1.655 1.269 230 HH22 ARG 32 2HH2 ARG 32 -8.561 1.781 2.947 231 H GLY 33 H GLY 33 1.100 0.912 0.934 232 HA2 GLY 33 1HA GLY 33 2.295 3.113 2.145 233 HA3 GLY 33 2HA GLY 33 3.156 1.676 1.612 234 H ILE 34 H ILE 34 2.808 1.834 -1.128 235 HA ILE 34 HA ILE 34 4.895 3.419 -1.955 236 HB ILE 34 HB ILE 34 4.158 3.106 -4.221 237 HG12 ILE 34 1HG1 ILE 34 1.560 1.897 -3.394 238 HG13 ILE 34 2HG1 ILE 34 1.678 3.653 -3.430 239 HG21 ILE 34 1HG2 ILE 34 3.289 0.558 -3.833 240 HG22 ILE 34 2HG2 ILE 34 4.976 1.067 -3.768 241 HG23 ILE 34 3HG2 ILE 34 4.043 0.915 -2.279 242 HD11 ILE 34 3HD1 ILE 34 2.788 2.782 -5.837 243 HD12 ILE 34 1HD1 ILE 34 1.345 1.799 -5.591 244 HD13 ILE 34 2HD1 ILE 34 1.225 3.559 -5.590 245 H HIS 35 H HIS 35 1.697 4.381 -1.179 246 HA HIS 35 HA HIS 35 1.851 6.881 -2.651 247 HB2 HIS 35 1HB HIS 35 -0.239 5.687 -0.830 248 HB3 HIS 35 2HB HIS 35 -0.371 7.313 -1.494 249 HD1 HIS 35 HD1 HIS 35 0.337 6.972 -4.369 250 HD2 HIS 35 HD2 HIS 35 -1.916 4.164 -2.296 251 HE1 HIS 35 HE1 HIS 35 -0.945 5.708 -6.126 252 H THR 36 H THR 36 1.384 5.983 0.772 253 HA THR 36 HA THR 36 1.572 8.354 2.029 254 HB THR 36 HB THR 36 2.264 7.272 3.964 255 HG1 THR 36 HG1 THR 36 3.976 6.023 3.996 256 HG21 THR 36 3HG2 THR 36 1.116 5.203 4.045 257 HG22 THR 36 1HG2 THR 36 1.402 4.891 2.333 258 HG23 THR 36 2HG2 THR 36 0.284 6.165 2.823 259 H GLY 37 H GLY 37 4.238 6.637 0.507 260 HA2 GLY 37 1HA GLY 37 6.315 8.282 1.537 261 HA3 GLY 37 2HA GLY 37 6.429 7.228 0.135 262 H GLU 38 H GLU 38 4.862 8.187 -1.722 263 HA GLU 38 HA GLU 38 6.138 10.627 -2.498 264 HB2 GLU 38 1HB GLU 38 4.725 10.430 -4.534 265 HB3 GLU 38 2HB GLU 38 5.654 8.978 -4.187 266 HG2 GLU 38 1HG GLU 38 3.807 7.747 -3.665 267 HG3 GLU 38 2HG GLU 38 2.881 9.153 -3.142 268 H LYS 39 H LYS 39 5.286 11.778 -0.530 269 HA LYS 39 HA LYS 39 2.566 12.808 -0.974 270 HB2 LYS 39 1HB LYS 39 3.167 11.727 1.249 271 HB3 LYS 39 2HB LYS 39 4.210 13.113 1.537 272 HG2 LYS 39 1HG LYS 39 2.269 13.698 2.638 273 HG3 LYS 39 2HG LYS 39 2.086 14.512 1.082 274 HD2 LYS 39 1HD LYS 39 0.887 12.275 0.411 275 HD3 LYS 39 2HD LYS 39 0.670 12.114 2.156 276 HE2 LYS 39 1HE LYS 39 -1.266 13.197 1.280 277 HE3 LYS 39 2HE LYS 39 -0.330 14.404 2.160 278 HZ1 LYS 39 3HZ LYS 39 -0.610 14.078 -0.765 279 HZ2 LYS 39 1HZ LYS 39 0.657 14.975 -0.091 280 HZ3 LYS 39 2HZ LYS 39 -0.946 15.441 0.179 281 HA PRO 40 HA PRO 40 5.315 16.269 -2.291 282 HB2 PRO 40 1HB PRO 40 3.681 17.086 -4.300 283 HB3 PRO 40 2HB PRO 40 4.881 15.804 -4.499 284 HG2 PRO 40 1HG PRO 40 1.936 15.582 -4.010 285 HG3 PRO 40 2HG PRO 40 2.957 14.659 -5.128 286 HD2 PRO 40 1HD PRO 40 2.168 13.680 -2.730 287 HD3 PRO 40 2HD PRO 40 3.727 13.258 -3.467 288 H SER 41 H SER 41 4.456 18.614 -2.883 289 HA SER 41 HA SER 41 2.570 19.330 -0.745 290 HB2 SER 41 1HB SER 41 3.665 21.410 -0.556 291 HB3 SER 41 2HB SER 41 4.974 20.254 -0.803 292 HG SER 41 HG SER 41 4.911 20.841 -3.043 293 H GLY 42 H GLY 42 1.068 21.089 -1.131 294 HA2 GLY 42 1HA GLY 42 0.196 22.612 -2.939 295 HA3 GLY 42 2HA GLY 42 0.218 21.181 -3.960 296 HA PRO 43 HA PRO 43 -3.892 20.221 -2.795 297 HB2 PRO 43 1HB PRO 43 -3.854 17.507 -2.764 298 HB3 PRO 43 2HB PRO 43 -3.785 18.451 -4.256 299 HG2 PRO 43 1HG PRO 43 -1.560 17.156 -2.729 300 HG3 PRO 43 2HG PRO 43 -1.840 17.197 -4.480 301 HD2 PRO 43 1HD PRO 43 -0.064 18.830 -3.250 302 HD3 PRO 43 2HD PRO 43 -0.970 19.320 -4.697 303 H SER 44 H SER 44 -4.140 20.977 -0.703 304 HA SER 44 HA SER 44 -3.809 18.954 1.407 305 HB2 SER 44 1HB SER 44 -2.113 20.976 1.351 306 HB3 SER 44 2HB SER 44 -3.461 21.850 2.077 307 HG SER 44 HG SER 44 -3.422 19.752 3.480 308 H SER 45 H SER 45 -5.221 22.193 0.897 309 HA SER 45 HA SER 45 -7.431 21.604 2.640 310 HB2 SER 45 1HB SER 45 -8.119 23.850 2.279 311 HB3 SER 45 2HB SER 45 -6.357 23.894 2.305 312 HG SER 45 HG SER 45 -6.811 23.526 -0.154 313 H GLY 46 H GLY 46 -9.459 20.990 2.116 314 HA2 GLY 46 1HA GLY 46 -11.326 20.634 0.754 315 HA3 GLY 46 2HA GLY 46 -10.376 21.127 -0.640 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -32.086 11.828 -17.901 2 HA2 GLY 1 1HA GLY 1 -29.845 11.712 -16.044 3 HA3 GLY 1 2HA GLY 1 -30.984 10.418 -16.386 4 H SER 2 H SER 2 -30.802 9.453 -18.616 5 HA SER 2 HA SER 2 -29.488 8.074 -19.897 6 HB2 SER 2 1HB SER 2 -27.998 9.346 -21.432 7 HB3 SER 2 2HB SER 2 -29.603 10.062 -21.291 8 HG SER 2 HG SER 2 -27.334 10.908 -19.812 9 H SER 3 H SER 3 -28.655 7.969 -17.254 10 HA SER 3 HA SER 3 -25.730 7.746 -17.548 11 HB2 SER 3 1HB SER 3 -27.364 8.537 -15.134 12 HB3 SER 3 2HB SER 3 -25.679 8.030 -15.018 13 HG SER 3 HG SER 3 -26.123 10.368 -15.237 14 H GLY 4 H GLY 4 -24.717 6.008 -16.358 15 HA2 GLY 4 1HA GLY 4 -26.039 4.011 -14.942 16 HA3 GLY 4 2HA GLY 4 -26.106 3.553 -16.638 17 H SER 5 H SER 5 -23.543 5.140 -14.755 18 HA SER 5 HA SER 5 -21.783 2.875 -15.433 19 HB2 SER 5 1HB SER 5 -19.914 4.499 -15.562 20 HB3 SER 5 2HB SER 5 -21.164 4.825 -16.762 21 HG SER 5 HG SER 5 -20.212 6.558 -15.161 22 H SER 6 H SER 6 -22.302 1.933 -13.394 23 HA SER 6 HA SER 6 -20.862 3.199 -11.163 24 HB2 SER 6 1HB SER 6 -22.575 2.404 -9.602 25 HB3 SER 6 2HB SER 6 -23.292 3.465 -10.815 26 HG SER 6 HG SER 6 -23.276 0.636 -11.011 27 H GLY 7 H GLY 7 -20.255 1.625 -9.444 28 HA2 GLY 7 1HA GLY 7 -18.820 -0.532 -10.533 29 HA3 GLY 7 2HA GLY 7 -19.116 -0.267 -8.821 30 H THR 8 H THR 8 -19.560 -2.390 -11.290 31 HA THR 8 HA THR 8 -22.145 -3.400 -10.406 32 HB THR 8 HB THR 8 -20.289 -4.399 -12.576 33 HG1 THR 8 HG1 THR 8 -22.076 -3.522 -13.890 34 HG21 THR 8 3HG2 THR 8 -21.914 -6.054 -11.418 35 HG22 THR 8 1HG2 THR 8 -21.892 -5.975 -13.179 36 HG23 THR 8 2HG2 THR 8 -23.172 -5.165 -12.276 37 H GLY 9 H GLY 9 -18.769 -4.506 -10.597 38 HA2 GLY 9 1HA GLY 9 -19.382 -6.923 -9.121 39 HA3 GLY 9 2HA GLY 9 -17.801 -6.428 -9.706 40 H LYS 10 H LYS 10 -18.992 -7.346 -7.021 41 HA LYS 10 HA LYS 10 -18.484 -5.106 -5.276 42 HB2 LYS 10 1HB LYS 10 -20.178 -6.708 -4.632 43 HB3 LYS 10 2HB LYS 10 -19.018 -8.028 -4.715 44 HG2 LYS 10 1HG LYS 10 -17.751 -6.944 -2.867 45 HG3 LYS 10 2HG LYS 10 -19.058 -5.765 -2.731 46 HD2 LYS 10 1HD LYS 10 -19.686 -7.307 -1.142 47 HD3 LYS 10 2HD LYS 10 -20.560 -7.905 -2.554 48 HE2 LYS 10 1HE LYS 10 -19.550 -9.797 -1.572 49 HE3 LYS 10 2HE LYS 10 -18.569 -9.406 -2.984 50 HZ1 LYS 10 3HZ LYS 10 -17.915 -8.587 -0.206 51 HZ2 LYS 10 1HZ LYS 10 -16.950 -8.365 -1.578 52 HZ3 LYS 10 2HZ LYS 10 -17.244 -9.925 -0.994 53 H LYS 11 H LYS 11 -16.323 -4.572 -5.767 54 HA LYS 11 HA LYS 11 -14.158 -6.344 -5.734 55 HB2 LYS 11 1HB LYS 11 -12.781 -4.296 -5.297 56 HB3 LYS 11 2HB LYS 11 -13.874 -4.159 -6.668 57 HG2 LYS 11 1HG LYS 11 -15.485 -3.001 -5.103 58 HG3 LYS 11 2HG LYS 11 -14.156 -2.928 -3.943 59 HD2 LYS 11 1HD LYS 11 -14.019 -0.877 -5.028 60 HD3 LYS 11 2HD LYS 11 -12.827 -1.858 -5.883 61 HE2 LYS 11 1HE LYS 11 -14.091 -0.675 -7.521 62 HE3 LYS 11 2HE LYS 11 -14.591 -2.364 -7.584 63 HZ1 LYS 11 3HZ LYS 11 -16.154 -0.748 -5.783 64 HZ2 LYS 11 1HZ LYS 11 -16.658 -1.848 -6.965 65 HZ3 LYS 11 2HZ LYS 11 -16.266 -0.261 -7.399 66 HA PRO 12 HA PRO 12 -13.661 -7.348 -1.476 67 HB2 PRO 12 1HB PRO 12 -11.025 -7.994 -1.491 68 HB3 PRO 12 2HB PRO 12 -12.272 -9.033 -2.190 69 HG2 PRO 12 1HG PRO 12 -10.425 -7.111 -3.553 70 HG3 PRO 12 2HG PRO 12 -10.896 -8.748 -4.043 71 HD2 PRO 12 1HD PRO 12 -11.999 -6.528 -5.132 72 HD3 PRO 12 2HD PRO 12 -12.904 -8.042 -4.928 73 H TYR 13 H TYR 13 -10.951 -5.443 -2.811 74 HA TYR 13 HA TYR 13 -11.281 -3.457 -0.731 75 HB2 TYR 13 1HB TYR 13 -8.639 -4.904 -0.979 76 HB3 TYR 13 2HB TYR 13 -9.052 -3.637 0.171 77 HD1 TYR 13 HD1 TYR 13 -10.643 -4.119 2.018 78 HD2 TYR 13 HD2 TYR 13 -9.217 -7.180 -0.570 79 HE1 TYR 13 HE1 TYR 13 -11.369 -5.820 3.640 80 HE2 TYR 13 HE2 TYR 13 -9.940 -8.889 1.044 81 HH TYR 13 HH TYR 13 -10.496 -8.424 4.088 82 H LYS 14 H LYS 14 -11.003 -1.532 -1.627 83 HA LYS 14 HA LYS 14 -9.275 -1.325 -4.006 84 HB2 LYS 14 1HB LYS 14 -11.582 -0.948 -4.609 85 HB3 LYS 14 2HB LYS 14 -11.782 0.204 -3.296 86 HG2 LYS 14 1HG LYS 14 -10.055 1.635 -4.422 87 HG3 LYS 14 2HG LYS 14 -10.148 0.534 -5.798 88 HD2 LYS 14 1HD LYS 14 -12.738 1.012 -5.542 89 HD3 LYS 14 2HD LYS 14 -12.146 2.492 -4.784 90 HE2 LYS 14 1HE LYS 14 -10.645 2.690 -6.874 91 HE3 LYS 14 2HE LYS 14 -11.747 1.514 -7.590 92 HZ1 LYS 14 3HZ LYS 14 -13.081 3.197 -8.073 93 HZ2 LYS 14 1HZ LYS 14 -12.106 4.296 -7.233 94 HZ3 LYS 14 2HZ LYS 14 -13.329 3.458 -6.420 95 H CYS 15 H CYS 15 -7.939 0.483 -4.220 96 HA CYS 15 HA CYS 15 -7.165 1.689 -1.693 97 HB2 CYS 15 1HB CYS 15 -5.513 0.736 -3.365 98 HB3 CYS 15 2HB CYS 15 -5.889 2.112 -4.397 99 H ASN 16 H ASN 16 -7.983 3.555 -1.043 100 HA ASN 16 HA ASN 16 -9.461 5.254 -2.825 101 HB2 ASN 16 1HB ASN 16 -9.839 4.763 -0.272 102 HB3 ASN 16 2HB ASN 16 -8.696 6.084 -0.051 103 HD21 ASN 16 1HD2 ASN 16 -11.893 5.196 -0.845 104 HD22 ASN 16 2HD2 ASN 16 -12.518 6.788 -1.092 105 H GLU 17 H GLU 17 -6.317 4.855 -2.688 106 HA GLU 17 HA GLU 17 -5.570 7.686 -2.636 107 HB2 GLU 17 1HB GLU 17 -3.804 5.242 -2.849 108 HB3 GLU 17 2HB GLU 17 -3.260 6.899 -2.630 109 HG2 GLU 17 1HG GLU 17 -5.073 5.568 -0.651 110 HG3 GLU 17 2HG GLU 17 -3.322 5.375 -0.586 111 H CYS 18 H CYS 18 -5.138 4.823 -4.713 112 HA CYS 18 HA CYS 18 -4.768 6.640 -7.000 113 HB2 CYS 18 1HB CYS 18 -3.713 4.664 -8.119 114 HB3 CYS 18 2HB CYS 18 -2.842 5.231 -6.698 115 H GLY 19 H GLY 19 -6.339 3.620 -5.989 116 HA2 GLY 19 1HA GLY 19 -8.738 3.450 -6.583 117 HA3 GLY 19 2HA GLY 19 -8.283 4.030 -8.179 118 H LYS 20 H LYS 20 -6.347 1.727 -6.403 119 HA LYS 20 HA LYS 20 -6.832 -0.236 -8.514 120 HB2 LYS 20 1HB LYS 20 -4.674 0.161 -6.472 121 HB3 LYS 20 2HB LYS 20 -4.892 -1.417 -7.217 122 HG2 LYS 20 1HG LYS 20 -4.410 -0.576 -9.370 123 HG3 LYS 20 2HG LYS 20 -4.532 1.098 -8.821 124 HD2 LYS 20 1HD LYS 20 -2.551 0.787 -7.423 125 HD3 LYS 20 2HD LYS 20 -2.434 -0.893 -7.953 126 HE2 LYS 20 1HE LYS 20 -0.892 0.265 -9.286 127 HE3 LYS 20 2HE LYS 20 -2.301 0.041 -10.322 128 HZ1 LYS 20 3HZ LYS 20 -2.954 2.284 -9.966 129 HZ2 LYS 20 1HZ LYS 20 -1.316 2.306 -10.389 130 HZ3 LYS 20 2HZ LYS 20 -1.776 2.518 -8.775 131 H VAL 21 H VAL 21 -6.599 -2.611 -7.606 132 HA VAL 21 HA VAL 21 -8.159 -2.928 -5.147 133 HB VAL 21 HB VAL 21 -8.884 -4.428 -7.660 134 HG11 VAL 21 1HG1 VAL 21 -9.392 -5.077 -5.092 135 HG12 VAL 21 2HG1 VAL 21 -10.798 -4.073 -5.450 136 HG13 VAL 21 3HG1 VAL 21 -10.452 -5.492 -6.439 137 HG21 VAL 21 3HG2 VAL 21 -10.668 -2.954 -8.061 138 HG22 VAL 21 1HG2 VAL 21 -10.482 -2.169 -6.493 139 HG23 VAL 21 2HG2 VAL 21 -9.281 -1.908 -7.757 140 H PHE 22 H PHE 22 -7.732 -4.782 -4.010 141 HA PHE 22 HA PHE 22 -5.830 -6.684 -5.198 142 HB2 PHE 22 1HB PHE 22 -5.668 -5.609 -2.375 143 HB3 PHE 22 2HB PHE 22 -4.569 -6.767 -3.117 144 HD1 PHE 22 HD2 PHE 22 -5.833 -3.290 -3.475 145 HD2 PHE 22 HD1 PHE 22 -2.652 -6.027 -4.184 146 HE1 PHE 22 HE2 PHE 22 -4.416 -1.436 -4.254 147 HE2 PHE 22 HE1 PHE 22 -1.229 -4.177 -4.964 148 HZ PHE 22 HZ PHE 22 -2.111 -1.878 -5.001 149 H THR 23 H THR 23 -6.687 -8.642 -5.201 150 HA THR 23 HA THR 23 -9.024 -9.531 -4.248 151 HB THR 23 HB THR 23 -8.064 -11.824 -4.075 152 HG1 THR 23 HG1 THR 23 -6.025 -11.785 -3.453 153 HG21 THR 23 3HG2 THR 23 -8.523 -11.686 -6.263 154 HG22 THR 23 1HG2 THR 23 -6.797 -11.410 -6.492 155 HG23 THR 23 2HG2 THR 23 -7.901 -10.040 -6.373 156 H GLN 24 H GLN 24 -6.050 -9.321 -2.350 157 HA GLN 24 HA GLN 24 -7.636 -9.905 0.064 158 HB2 GLN 24 1HB GLN 24 -4.712 -10.422 -0.492 159 HB3 GLN 24 2HB GLN 24 -5.451 -10.586 1.095 160 HG2 GLN 24 1HG GLN 24 -7.009 -12.266 0.113 161 HG3 GLN 24 2HG GLN 24 -6.071 -12.181 -1.377 162 HE21 GLN 24 1HE2 GLN 24 -3.887 -12.884 -1.339 163 HE22 GLN 24 2HE2 GLN 24 -3.346 -14.019 -0.154 164 H ASN 25 H ASN 25 -7.657 -8.442 1.676 165 HA ASN 25 HA ASN 25 -7.020 -5.792 1.266 166 HB2 ASN 25 1HB ASN 25 -8.547 -6.452 3.020 167 HB3 ASN 25 2HB ASN 25 -7.263 -7.303 3.874 168 HD21 ASN 25 1HD2 ASN 25 -5.939 -6.199 5.209 169 HD22 ASN 25 2HD2 ASN 25 -6.074 -4.506 5.528 170 H SER 26 H SER 26 -5.158 -8.164 3.165 171 HA SER 26 HA SER 26 -3.078 -6.687 4.059 172 HB2 SER 26 1HB SER 26 -3.174 -9.482 2.968 173 HB3 SER 26 2HB SER 26 -1.638 -8.792 3.491 174 HG SER 26 HG SER 26 -3.948 -8.801 5.126 175 H HIS 27 H HIS 27 -3.378 -8.009 0.779 176 HA HIS 27 HA HIS 27 -0.916 -7.118 -0.209 177 HB2 HIS 27 1HB HIS 27 -3.542 -7.779 -1.511 178 HB3 HIS 27 2HB HIS 27 -2.198 -7.160 -2.466 179 HD2 HIS 27 HD2 HIS 27 -2.439 -10.125 0.169 180 HE1 HIS 27 HE1 HIS 27 -0.238 -11.381 -3.233 181 HE2 HIS 27 HE2 HIS 27 -1.211 -12.069 -1.015 182 H LEU 28 H LEU 28 -4.084 -5.538 -0.131 183 HA LEU 28 HA LEU 28 -3.294 -3.229 -1.570 184 HB2 LEU 28 1HB LEU 28 -5.597 -3.674 -1.476 185 HB3 LEU 28 2HB LEU 28 -5.576 -3.845 0.278 186 HG LEU 28 HG LEU 28 -5.198 -1.416 0.483 187 HD11 LEU 28 1HD1 LEU 28 -4.168 -1.316 -1.880 188 HD12 LEU 28 2HD1 LEU 28 -5.150 0.038 -1.324 189 HD13 LEU 28 3HD1 LEU 28 -5.836 -1.152 -2.430 190 HD21 LEU 28 3HD2 LEU 28 -7.438 -0.755 -0.016 191 HD22 LEU 28 1HD2 LEU 28 -7.474 -2.443 0.494 192 HD23 LEU 28 2HD2 LEU 28 -7.608 -2.037 -1.217 193 H ALA 29 H ALA 29 -3.716 -3.828 1.914 194 HA ALA 29 HA ALA 29 -3.081 -1.369 2.936 195 HB1 ALA 29 3HB ALA 29 -3.777 -3.345 4.260 196 HB2 ALA 29 1HB ALA 29 -2.144 -3.990 4.093 197 HB3 ALA 29 2HB ALA 29 -2.411 -2.478 4.962 198 H ARG 30 H ARG 30 -0.780 -3.957 2.105 199 HA ARG 30 HA ARG 30 1.542 -2.514 2.787 200 HB2 ARG 30 1HB ARG 30 2.744 -4.204 1.463 201 HB3 ARG 30 2HB ARG 30 1.565 -4.936 2.542 202 HG2 ARG 30 1HG ARG 30 0.106 -5.452 0.781 203 HG3 ARG 30 2HG ARG 30 0.940 -4.368 -0.335 204 HD2 ARG 30 1HD ARG 30 2.442 -6.639 0.880 205 HD3 ARG 30 2HD ARG 30 1.317 -6.964 -0.438 206 HE ARG 30 HE ARG 30 3.177 -4.831 -0.972 207 HH11 ARG 30 1HH1 ARG 30 2.608 -8.262 -1.126 208 HH12 ARG 30 2HH1 ARG 30 3.759 -8.528 -2.394 209 HH21 ARG 30 1HH2 ARG 30 4.695 -5.168 -2.641 210 HH22 ARG 30 2HH2 ARG 30 4.946 -6.767 -3.254 211 H HIS 31 H HIS 31 -0.391 -2.657 -0.128 212 HA HIS 31 HA HIS 31 1.476 -1.404 -1.855 213 HB2 HIS 31 1HB HIS 31 -0.150 -2.426 -3.099 214 HB3 HIS 31 2HB HIS 31 -1.423 -2.052 -1.941 215 HD1 HIS 31 HD1 HIS 31 0.391 -0.635 -4.894 216 HD2 HIS 31 HD2 HIS 31 -2.760 0.360 -2.374 217 HE1 HIS 31 HE1 HIS 31 -0.755 1.318 -5.989 218 H ARG 32 H ARG 32 -1.402 -0.128 -0.179 219 HA ARG 32 HA ARG 32 -1.431 2.460 -0.897 220 HB2 ARG 32 1HB ARG 32 -1.664 1.437 1.938 221 HB3 ARG 32 2HB ARG 32 -2.193 3.024 1.395 222 HG2 ARG 32 1HG ARG 32 -3.775 1.929 -0.152 223 HG3 ARG 32 2HG ARG 32 -3.284 0.365 0.500 224 HD2 ARG 32 1HD ARG 32 -5.342 1.119 1.548 225 HD3 ARG 32 2HD ARG 32 -4.031 1.066 2.726 226 HE ARG 32 HE ARG 32 -5.415 3.415 1.756 227 HH11 ARG 32 1HH1 ARG 32 -2.629 2.146 3.413 228 HH12 ARG 32 2HH1 ARG 32 -2.272 3.634 4.226 229 HH21 ARG 32 1HH2 ARG 32 -4.956 5.380 2.821 230 HH22 ARG 32 2HH2 ARG 32 -3.597 5.472 3.889 231 H GLY 33 H GLY 33 1.080 0.905 0.918 232 HA2 GLY 33 1HA GLY 33 2.308 3.077 2.156 233 HA3 GLY 33 2HA GLY 33 3.146 1.636 1.601 234 H ILE 34 H ILE 34 2.785 1.828 -1.134 235 HA ILE 34 HA ILE 34 4.890 3.363 -1.974 236 HB ILE 34 HB ILE 34 4.092 3.140 -4.229 237 HG12 ILE 34 1HG1 ILE 34 1.462 2.022 -3.376 238 HG13 ILE 34 2HG1 ILE 34 1.655 3.771 -3.368 239 HG21 ILE 34 1HG2 ILE 34 4.649 0.998 -4.095 240 HG22 ILE 34 2HG2 ILE 34 4.225 0.980 -2.383 241 HG23 ILE 34 3HG2 ILE 34 3.002 0.607 -3.598 242 HD11 ILE 34 3HD1 ILE 34 2.658 2.701 -5.823 243 HD12 ILE 34 1HD1 ILE 34 1.018 2.120 -5.534 244 HD13 ILE 34 2HD1 ILE 34 1.350 3.852 -5.554 245 H HIS 35 H HIS 35 1.724 4.421 -1.148 246 HA HIS 35 HA HIS 35 1.907 6.934 -2.565 247 HB2 HIS 35 1HB HIS 35 -0.078 5.950 -0.505 248 HB3 HIS 35 2HB HIS 35 -0.218 7.463 -1.394 249 HD1 HIS 35 HD1 HIS 35 0.329 6.622 -4.228 250 HD2 HIS 35 HD2 HIS 35 -1.949 4.341 -1.607 251 HE1 HIS 35 HE1 HIS 35 -1.120 5.171 -5.684 252 H THR 36 H THR 36 1.821 5.958 0.863 253 HA THR 36 HA THR 36 2.374 8.516 1.902 254 HB THR 36 HB THR 36 3.118 7.234 3.967 255 HG1 THR 36 HG1 THR 36 3.612 5.216 3.556 256 HG21 THR 36 3HG2 THR 36 0.645 6.035 3.902 257 HG22 THR 36 1HG2 THR 36 0.486 7.318 2.703 258 HG23 THR 36 2HG2 THR 36 0.960 7.710 4.356 259 H GLY 37 H GLY 37 4.356 9.098 3.139 260 HA2 GLY 37 1HA GLY 37 6.706 8.957 3.470 261 HA3 GLY 37 2HA GLY 37 6.815 7.922 2.053 262 H GLU 38 H GLU 38 5.284 11.101 2.479 263 HA GLU 38 HA GLU 38 5.352 12.908 1.043 264 HB2 GLU 38 1HB GLU 38 8.168 12.476 2.010 265 HB3 GLU 38 2HB GLU 38 7.746 13.863 1.015 266 HG2 GLU 38 1HG GLU 38 6.221 14.669 2.664 267 HG3 GLU 38 2HG GLU 38 6.397 13.198 3.619 268 H LYS 39 H LYS 39 5.140 10.702 -0.533 269 HA LYS 39 HA LYS 39 7.141 11.076 -2.655 270 HB2 LYS 39 1HB LYS 39 5.436 8.776 -1.813 271 HB3 LYS 39 2HB LYS 39 5.874 8.908 -3.511 272 HG2 LYS 39 1HG LYS 39 8.001 9.110 -1.431 273 HG3 LYS 39 2HG LYS 39 7.350 7.528 -1.867 274 HD2 LYS 39 1HD LYS 39 7.856 8.062 -4.254 275 HD3 LYS 39 2HD LYS 39 8.662 9.532 -3.701 276 HE2 LYS 39 1HE LYS 39 9.438 6.885 -2.551 277 HE3 LYS 39 2HE LYS 39 10.044 7.361 -4.137 278 HZ1 LYS 39 3HZ LYS 39 11.516 8.702 -3.195 279 HZ2 LYS 39 1HZ LYS 39 11.079 8.071 -1.688 280 HZ3 LYS 39 2HZ LYS 39 10.333 9.474 -2.265 281 HA PRO 40 HA PRO 40 4.169 13.114 -5.182 282 HB2 PRO 40 1HB PRO 40 5.245 12.597 -7.620 283 HB3 PRO 40 2HB PRO 40 5.944 13.761 -6.489 284 HG2 PRO 40 1HG PRO 40 6.748 10.929 -7.029 285 HG3 PRO 40 2HG PRO 40 7.772 12.359 -6.809 286 HD2 PRO 40 1HD PRO 40 7.349 10.553 -4.837 287 HD3 PRO 40 2HD PRO 40 7.607 12.279 -4.511 288 H SER 41 H SER 41 2.285 11.919 -4.923 289 HA SER 41 HA SER 41 1.891 9.731 -6.859 290 HB2 SER 41 1HB SER 41 0.161 8.860 -5.265 291 HB3 SER 41 2HB SER 41 1.804 8.819 -4.627 292 HG SER 41 HG SER 41 0.006 10.948 -4.125 293 H GLY 42 H GLY 42 -0.018 9.679 -8.032 294 HA2 GLY 42 1HA GLY 42 -2.033 10.441 -8.884 295 HA3 GLY 42 2HA GLY 42 -2.115 11.597 -7.564 296 HA PRO 43 HA PRO 43 0.659 13.672 -10.936 297 HB2 PRO 43 1HB PRO 43 0.867 12.381 -13.315 298 HB3 PRO 43 2HB PRO 43 1.990 12.115 -11.976 299 HG2 PRO 43 1HG PRO 43 -0.366 10.475 -12.826 300 HG3 PRO 43 2HG PRO 43 1.247 9.938 -12.320 301 HD2 PRO 43 1HD PRO 43 -0.893 9.888 -10.662 302 HD3 PRO 43 2HD PRO 43 0.759 10.175 -10.080 303 H SER 44 H SER 44 -2.010 11.724 -12.243 304 HA SER 44 HA SER 44 -3.544 14.062 -12.851 305 HB2 SER 44 1HB SER 44 -2.201 14.212 -14.816 306 HB3 SER 44 2HB SER 44 -2.305 12.475 -15.103 307 HG SER 44 HG SER 44 -4.299 12.699 -15.872 308 H SER 45 H SER 45 -5.685 13.539 -13.666 309 HA SER 45 HA SER 45 -6.430 10.711 -13.433 310 HB2 SER 45 1HB SER 45 -8.310 11.236 -11.982 311 HB3 SER 45 2HB SER 45 -6.818 11.806 -11.234 312 HG SER 45 HG SER 45 -8.787 13.333 -12.582 313 H GLY 46 H GLY 46 -8.710 10.333 -14.186 314 HA2 GLY 46 1HA GLY 46 -10.046 12.263 -15.779 315 HA3 GLY 46 2HA GLY 46 -9.054 11.228 -16.796 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -28.866 15.403 -8.843 2 HA2 GLY 1 1HA GLY 1 -26.827 15.196 -10.434 3 HA3 GLY 1 2HA GLY 1 -26.497 15.409 -8.721 4 H SER 2 H SER 2 -24.602 14.275 -8.631 5 HA SER 2 HA SER 2 -23.234 12.469 -8.432 6 HB2 SER 2 1HB SER 2 -25.081 11.612 -7.013 7 HB3 SER 2 2HB SER 2 -25.810 10.876 -8.440 8 HG SER 2 HG SER 2 -24.048 9.521 -8.617 9 H SER 3 H SER 3 -23.562 13.452 -10.985 10 HA SER 3 HA SER 3 -24.065 11.267 -12.808 11 HB2 SER 3 1HB SER 3 -24.654 13.592 -13.413 12 HB3 SER 3 2HB SER 3 -22.947 14.028 -13.355 13 HG SER 3 HG SER 3 -22.883 12.072 -14.936 14 H GLY 4 H GLY 4 -22.454 9.798 -11.969 15 HA2 GLY 4 1HA GLY 4 -20.238 9.423 -13.472 16 HA3 GLY 4 2HA GLY 4 -19.662 10.507 -12.214 17 H SER 5 H SER 5 -21.511 7.482 -12.569 18 HA SER 5 HA SER 5 -19.787 6.180 -10.649 19 HB2 SER 5 1HB SER 5 -21.503 7.331 -9.239 20 HB3 SER 5 2HB SER 5 -22.749 6.392 -10.062 21 HG SER 5 HG SER 5 -21.524 5.659 -7.944 22 H SER 6 H SER 6 -19.392 4.234 -11.443 23 HA SER 6 HA SER 6 -21.428 2.441 -12.275 24 HB2 SER 6 1HB SER 6 -21.049 4.130 -14.258 25 HB3 SER 6 2HB SER 6 -19.617 3.144 -14.556 26 HG SER 6 HG SER 6 -21.981 2.624 -15.404 27 H GLY 7 H GLY 7 -20.586 0.341 -12.872 28 HA2 GLY 7 1HA GLY 7 -18.081 -0.547 -13.251 29 HA3 GLY 7 2HA GLY 7 -18.067 -0.188 -11.531 30 H THR 8 H THR 8 -17.537 -2.704 -12.150 31 HA THR 8 HA THR 8 -19.656 -4.150 -10.904 32 HB THR 8 HB THR 8 -20.374 -3.988 -13.363 33 HG1 THR 8 HG1 THR 8 -21.003 -5.636 -11.700 34 HG21 THR 8 3HG2 THR 8 -18.243 -4.399 -14.423 35 HG22 THR 8 1HG2 THR 8 -19.347 -5.712 -14.829 36 HG23 THR 8 2HG2 THR 8 -18.097 -5.956 -13.609 37 H GLY 9 H GLY 9 -19.011 -6.192 -10.177 38 HA2 GLY 9 1HA GLY 9 -17.276 -8.010 -10.636 39 HA3 GLY 9 2HA GLY 9 -16.120 -6.696 -10.470 40 H LYS 10 H LYS 10 -17.977 -5.546 -8.335 41 HA LYS 10 HA LYS 10 -18.040 -5.511 -6.061 42 HB2 LYS 10 1HB LYS 10 -18.012 -8.523 -6.332 43 HB3 LYS 10 2HB LYS 10 -18.540 -7.610 -4.924 44 HG2 LYS 10 1HG LYS 10 -20.427 -6.748 -6.098 45 HG3 LYS 10 2HG LYS 10 -19.843 -7.407 -7.628 46 HD2 LYS 10 1HD LYS 10 -21.549 -8.870 -6.865 47 HD3 LYS 10 2HD LYS 10 -20.014 -9.692 -6.577 48 HE2 LYS 10 1HE LYS 10 -20.078 -9.063 -4.241 49 HE3 LYS 10 2HE LYS 10 -21.545 -8.122 -4.506 50 HZ1 LYS 10 3HZ LYS 10 -21.658 -10.917 -5.297 51 HZ2 LYS 10 1HZ LYS 10 -22.825 -9.958 -4.535 52 HZ3 LYS 10 2HZ LYS 10 -21.559 -10.625 -3.633 53 H LYS 11 H LYS 11 -15.523 -5.159 -7.116 54 HA LYS 11 HA LYS 11 -13.399 -6.657 -6.463 55 HB2 LYS 11 1HB LYS 11 -12.117 -4.639 -6.086 56 HB3 LYS 11 2HB LYS 11 -13.272 -4.362 -7.382 57 HG2 LYS 11 1HG LYS 11 -14.770 -3.419 -5.471 58 HG3 LYS 11 2HG LYS 11 -13.237 -3.266 -4.610 59 HD2 LYS 11 1HD LYS 11 -13.503 -1.197 -5.665 60 HD3 LYS 11 2HD LYS 11 -12.397 -2.075 -6.724 61 HE2 LYS 11 1HE LYS 11 -13.891 -1.224 -8.250 62 HE3 LYS 11 2HE LYS 11 -14.602 -2.804 -7.927 63 HZ1 LYS 11 3HZ LYS 11 -16.403 -1.878 -7.031 64 HZ2 LYS 11 1HZ LYS 11 -15.894 -0.431 -7.744 65 HZ3 LYS 11 2HZ LYS 11 -15.513 -0.758 -6.129 66 HA PRO 12 HA PRO 12 -13.580 -7.582 -2.154 67 HB2 PRO 12 1HB PRO 12 -10.996 -8.337 -1.808 68 HB3 PRO 12 2HB PRO 12 -12.189 -9.345 -2.636 69 HG2 PRO 12 1HG PRO 12 -10.096 -7.547 -3.797 70 HG3 PRO 12 2HG PRO 12 -10.573 -9.179 -4.300 71 HD2 PRO 12 1HD PRO 12 -11.425 -6.951 -5.583 72 HD3 PRO 12 2HD PRO 12 -12.416 -8.419 -5.458 73 H TYR 13 H TYR 13 -10.629 -5.843 -3.169 74 HA TYR 13 HA TYR 13 -11.120 -3.839 -1.113 75 HB2 TYR 13 1HB TYR 13 -8.473 -5.289 -1.273 76 HB3 TYR 13 2HB TYR 13 -8.919 -4.027 -0.131 77 HD1 TYR 13 HD1 TYR 13 -10.470 -4.508 1.710 78 HD2 TYR 13 HD2 TYR 13 -9.196 -7.564 -0.962 79 HE1 TYR 13 HE1 TYR 13 -11.270 -6.214 3.290 80 HE2 TYR 13 HE2 TYR 13 -9.993 -9.279 0.611 81 HH TYR 13 HH TYR 13 -11.740 -8.409 3.549 82 H LYS 14 H LYS 14 -11.061 -1.994 -2.199 83 HA LYS 14 HA LYS 14 -9.111 -1.691 -4.382 84 HB2 LYS 14 1HB LYS 14 -11.543 -1.455 -4.945 85 HB3 LYS 14 2HB LYS 14 -11.601 -0.052 -3.886 86 HG2 LYS 14 1HG LYS 14 -9.747 0.917 -5.333 87 HG3 LYS 14 2HG LYS 14 -10.123 -0.374 -6.477 88 HD2 LYS 14 1HD LYS 14 -12.550 0.453 -6.297 89 HD3 LYS 14 2HD LYS 14 -11.855 1.905 -5.572 90 HE2 LYS 14 1HE LYS 14 -12.115 2.327 -7.901 91 HE3 LYS 14 2HE LYS 14 -10.393 2.105 -7.596 92 HZ1 LYS 14 3HZ LYS 14 -10.670 0.791 -9.419 93 HZ2 LYS 14 1HZ LYS 14 -12.263 0.370 -9.036 94 HZ3 LYS 14 2HZ LYS 14 -10.976 -0.355 -8.213 95 H CYS 15 H CYS 15 -7.813 0.137 -4.498 96 HA CYS 15 HA CYS 15 -7.213 1.361 -1.954 97 HB2 CYS 15 1HB CYS 15 -5.517 0.591 -3.728 98 HB3 CYS 15 2HB CYS 15 -5.936 2.070 -4.588 99 H ASN 16 H ASN 16 -7.973 3.240 -1.250 100 HA ASN 16 HA ASN 16 -9.681 4.837 -2.928 101 HB2 ASN 16 1HB ASN 16 -8.756 5.350 -0.092 102 HB3 ASN 16 2HB ASN 16 -10.087 6.157 -0.916 103 HD21 ASN 16 1HD2 ASN 16 -11.520 4.275 -2.045 104 HD22 ASN 16 2HD2 ASN 16 -12.094 3.118 -0.898 105 H GLU 17 H GLU 17 -6.477 4.637 -2.862 106 HA GLU 17 HA GLU 17 -5.957 7.520 -2.952 107 HB2 GLU 17 1HB GLU 17 -3.984 5.232 -3.062 108 HB3 GLU 17 2HB GLU 17 -3.599 6.939 -2.889 109 HG2 GLU 17 1HG GLU 17 -5.219 5.390 -0.887 110 HG3 GLU 17 2HG GLU 17 -3.471 5.596 -0.787 111 H CYS 18 H CYS 18 -5.212 4.601 -4.862 112 HA CYS 18 HA CYS 18 -5.037 6.309 -7.251 113 HB2 CYS 18 1HB CYS 18 -3.773 4.412 -8.261 114 HB3 CYS 18 2HB CYS 18 -2.983 5.105 -6.849 115 H GLY 19 H GLY 19 -6.259 3.172 -6.108 116 HA2 GLY 19 1HA GLY 19 -8.657 2.772 -6.686 117 HA3 GLY 19 2HA GLY 19 -8.221 3.256 -8.318 118 H LYS 20 H LYS 20 -5.827 1.452 -6.709 119 HA LYS 20 HA LYS 20 -6.174 -0.747 -8.537 120 HB2 LYS 20 1HB LYS 20 -3.974 0.338 -7.528 121 HB3 LYS 20 2HB LYS 20 -4.234 -0.865 -6.272 122 HG2 LYS 20 1HG LYS 20 -4.224 -2.630 -7.974 123 HG3 LYS 20 2HG LYS 20 -3.928 -1.414 -9.218 124 HD2 LYS 20 1HD LYS 20 -1.765 -1.038 -8.526 125 HD3 LYS 20 2HD LYS 20 -2.093 -1.556 -6.870 126 HE2 LYS 20 1HE LYS 20 -2.245 -3.875 -7.624 127 HE3 LYS 20 2HE LYS 20 -1.942 -3.362 -9.283 128 HZ1 LYS 20 3HZ LYS 20 0.041 -4.233 -8.102 129 HZ2 LYS 20 1HZ LYS 20 -0.045 -2.913 -7.047 130 HZ3 LYS 20 2HZ LYS 20 0.240 -2.661 -8.695 131 H VAL 21 H VAL 21 -6.805 -2.816 -8.084 132 HA VAL 21 HA VAL 21 -8.010 -3.240 -5.431 133 HB VAL 21 HB VAL 21 -8.669 -4.647 -8.022 134 HG11 VAL 21 1HG1 VAL 21 -10.211 -4.677 -5.438 135 HG12 VAL 21 2HG1 VAL 21 -10.457 -5.686 -6.864 136 HG13 VAL 21 3HG1 VAL 21 -9.021 -5.906 -5.864 137 HG21 VAL 21 3HG2 VAL 21 -10.241 -2.531 -6.553 138 HG22 VAL 21 1HG2 VAL 21 -9.310 -2.265 -8.028 139 HG23 VAL 21 2HG2 VAL 21 -10.708 -3.340 -8.049 140 H PHE 22 H PHE 22 -7.636 -5.131 -4.305 141 HA PHE 22 HA PHE 22 -5.674 -7.001 -5.434 142 HB2 PHE 22 1HB PHE 22 -5.529 -6.049 -2.575 143 HB3 PHE 22 2HB PHE 22 -4.336 -6.988 -3.467 144 HD1 PHE 22 HD2 PHE 22 -6.037 -3.676 -3.516 145 HD2 PHE 22 HD1 PHE 22 -2.527 -5.912 -4.408 146 HE1 PHE 22 HE2 PHE 22 -4.875 -1.598 -4.137 147 HE2 PHE 22 HE1 PHE 22 -1.359 -3.838 -5.029 148 HZ PHE 22 HZ PHE 22 -2.533 -1.677 -4.895 149 H THR 23 H THR 23 -6.264 -9.057 -5.221 150 HA THR 23 HA THR 23 -8.692 -9.928 -4.317 151 HB THR 23 HB THR 23 -6.168 -11.586 -4.193 152 HG1 THR 23 HG1 THR 23 -6.976 -12.162 -6.400 153 HG21 THR 23 3HG2 THR 23 -7.972 -12.753 -3.167 154 HG22 THR 23 1HG2 THR 23 -7.793 -13.420 -4.789 155 HG23 THR 23 2HG2 THR 23 -9.091 -12.278 -4.443 156 H GLN 24 H GLN 24 -5.699 -9.632 -2.468 157 HA GLN 24 HA GLN 24 -7.202 -10.320 -0.031 158 HB2 GLN 24 1HB GLN 24 -4.234 -10.487 -0.578 159 HB3 GLN 24 2HB GLN 24 -4.983 -10.813 0.979 160 HG2 GLN 24 1HG GLN 24 -6.140 -12.708 0.107 161 HG3 GLN 24 2HG GLN 24 -5.634 -12.322 -1.538 162 HE21 GLN 24 1HE2 GLN 24 -5.225 -14.739 0.079 163 HE22 GLN 24 2HE2 GLN 24 -3.517 -14.994 0.115 164 H ASN 25 H ASN 25 -7.510 -8.790 1.453 165 HA ASN 25 HA ASN 25 -7.045 -6.113 1.047 166 HB2 ASN 25 1HB ASN 25 -7.830 -5.754 3.205 167 HB3 ASN 25 2HB ASN 25 -8.476 -7.353 2.848 168 HD21 ASN 25 1HD2 ASN 25 -7.557 -9.163 3.831 169 HD22 ASN 25 2HD2 ASN 25 -6.567 -9.027 5.241 170 H SER 26 H SER 26 -5.022 -8.418 2.823 171 HA SER 26 HA SER 26 -3.139 -6.761 3.920 172 HB2 SER 26 1HB SER 26 -2.837 -9.495 2.680 173 HB3 SER 26 2HB SER 26 -1.505 -8.683 3.502 174 HG SER 26 HG SER 26 -2.357 -9.569 5.211 175 H HIS 27 H HIS 27 -3.289 -7.926 0.583 176 HA HIS 27 HA HIS 27 -0.847 -6.888 -0.308 177 HB2 HIS 27 1HB HIS 27 -3.430 -7.545 -1.703 178 HB3 HIS 27 2HB HIS 27 -2.072 -6.854 -2.587 179 HD2 HIS 27 HD2 HIS 27 -1.737 -9.722 0.100 180 HE1 HIS 27 HE1 HIS 27 -0.453 -11.168 -3.676 181 HE2 HIS 27 HE2 HIS 27 -0.764 -11.711 -1.237 182 H LEU 28 H LEU 28 -4.059 -5.425 -0.127 183 HA LEU 28 HA LEU 28 -3.357 -3.011 -1.442 184 HB2 LEU 28 1HB LEU 28 -5.645 -3.558 -1.363 185 HB3 LEU 28 2HB LEU 28 -5.608 -3.798 0.382 186 HG LEU 28 HG LEU 28 -5.370 -1.391 0.716 187 HD11 LEU 28 1HD1 LEU 28 -6.057 -0.351 -1.800 188 HD12 LEU 28 2HD1 LEU 28 -4.697 -1.441 -2.066 189 HD13 LEU 28 3HD1 LEU 28 -4.554 -0.121 -0.906 190 HD21 LEU 28 3HD2 LEU 28 -7.655 -2.538 -0.791 191 HD22 LEU 28 1HD2 LEU 28 -7.617 -0.791 -0.556 192 HD23 LEU 28 2HD2 LEU 28 -7.592 -1.868 0.840 193 H ALA 29 H ALA 29 -3.902 -3.716 2.013 194 HA ALA 29 HA ALA 29 -3.259 -1.309 3.126 195 HB1 ALA 29 3HB ALA 29 -3.604 -2.508 4.958 196 HB2 ALA 29 1HB ALA 29 -3.451 -4.000 4.031 197 HB3 ALA 29 2HB ALA 29 -2.023 -3.262 4.758 198 H ARG 30 H ARG 30 -0.961 -3.887 2.265 199 HA ARG 30 HA ARG 30 1.344 -2.431 3.055 200 HB2 ARG 30 1HB ARG 30 2.612 -4.177 1.987 201 HB3 ARG 30 2HB ARG 30 1.251 -4.908 2.827 202 HG2 ARG 30 1HG ARG 30 0.085 -5.283 0.801 203 HG3 ARG 30 2HG ARG 30 1.211 -4.275 -0.110 204 HD2 ARG 30 1HD ARG 30 2.984 -5.989 0.749 205 HD3 ARG 30 2HD ARG 30 1.581 -7.031 0.982 206 HE ARG 30 HE ARG 30 1.334 -6.093 -1.574 207 HH11 ARG 30 1HH1 ARG 30 3.778 -7.819 0.207 208 HH12 ARG 30 2HH1 ARG 30 4.379 -8.662 -1.182 209 HH21 ARG 30 1HH2 ARG 30 2.117 -7.197 -3.410 210 HH22 ARG 30 2HH2 ARG 30 3.435 -8.307 -3.239 211 H HIS 31 H HIS 31 -0.478 -2.673 0.077 212 HA HIS 31 HA HIS 31 1.436 -1.514 -1.646 213 HB2 HIS 31 1HB HIS 31 -0.228 -2.534 -2.856 214 HB3 HIS 31 2HB HIS 31 -1.498 -2.018 -1.750 215 HD1 HIS 31 HD1 HIS 31 0.525 -0.816 -4.679 216 HD2 HIS 31 HD2 HIS 31 -2.734 0.378 -2.396 217 HE1 HIS 31 HE1 HIS 31 -0.489 1.124 -5.918 218 H ARG 32 H ARG 32 -1.298 -0.109 0.140 219 HA ARG 32 HA ARG 32 -1.358 2.451 -0.674 220 HB2 ARG 32 1HB ARG 32 -1.335 1.550 2.212 221 HB3 ARG 32 2HB ARG 32 -1.907 3.114 1.647 222 HG2 ARG 32 1HG ARG 32 -3.716 2.107 0.462 223 HG3 ARG 32 2HG ARG 32 -3.078 0.489 0.761 224 HD2 ARG 32 1HD ARG 32 -4.952 1.020 2.249 225 HD3 ARG 32 2HD ARG 32 -3.456 0.758 3.146 226 HE ARG 32 HE ARG 32 -3.471 3.424 2.834 227 HH11 ARG 32 1HH1 ARG 32 -5.902 1.186 3.931 228 HH12 ARG 32 2HH1 ARG 32 -6.664 2.329 4.987 229 HH21 ARG 32 1HH2 ARG 32 -4.466 4.938 4.221 230 HH22 ARG 32 2HH2 ARG 32 -5.847 4.463 5.150 231 H GLY 33 H GLY 33 1.288 0.921 0.964 232 HA2 GLY 33 1HA GLY 33 2.661 3.092 2.017 233 HA3 GLY 33 2HA GLY 33 3.426 1.637 1.395 234 H ILE 34 H ILE 34 2.778 1.807 -1.291 235 HA ILE 34 HA ILE 34 4.798 3.316 -2.360 236 HB ILE 34 HB ILE 34 3.760 3.081 -4.521 237 HG12 ILE 34 1HG1 ILE 34 1.250 1.953 -3.366 238 HG13 ILE 34 2HG1 ILE 34 1.428 3.703 -3.412 239 HG21 ILE 34 1HG2 ILE 34 2.761 0.547 -3.607 240 HG22 ILE 34 2HG2 ILE 34 4.229 0.911 -4.512 241 HG23 ILE 34 3HG2 ILE 34 4.243 0.970 -2.750 242 HD11 ILE 34 3HD1 ILE 34 1.578 1.839 -5.768 243 HD12 ILE 34 1HD1 ILE 34 0.236 2.907 -5.358 244 HD13 ILE 34 2HD1 ILE 34 1.793 3.589 -5.828 245 H HIS 35 H HIS 35 1.759 4.410 -1.199 246 HA HIS 35 HA HIS 35 1.868 6.928 -2.645 247 HB2 HIS 35 1HB HIS 35 -0.059 5.865 -0.571 248 HB3 HIS 35 2HB HIS 35 -0.204 7.449 -1.328 249 HD1 HIS 35 HD1 HIS 35 0.117 6.950 -4.221 250 HD2 HIS 35 HD2 HIS 35 -1.877 4.268 -1.753 251 HE1 HIS 35 HE1 HIS 35 -1.375 5.617 -5.744 252 H THR 36 H THR 36 2.222 5.748 0.674 253 HA THR 36 HA THR 36 3.209 8.403 1.468 254 HB THR 36 HB THR 36 1.350 7.610 2.831 255 HG1 THR 36 HG1 THR 36 3.471 8.605 3.732 256 HG21 THR 36 3HG2 THR 36 2.393 5.106 2.467 257 HG22 THR 36 1HG2 THR 36 1.143 5.522 3.639 258 HG23 THR 36 2HG2 THR 36 2.832 5.449 4.140 259 H GLY 37 H GLY 37 5.356 8.462 1.111 260 HA2 GLY 37 1HA GLY 37 6.995 6.492 2.531 261 HA3 GLY 37 2HA GLY 37 7.280 6.705 0.810 262 H GLU 38 H GLU 38 6.939 9.480 0.626 263 HA GLU 38 HA GLU 38 9.044 10.529 2.391 264 HB2 GLU 38 1HB GLU 38 8.904 10.642 -0.609 265 HB3 GLU 38 2HB GLU 38 9.789 11.858 0.301 266 HG2 GLU 38 1HG GLU 38 11.333 10.295 1.107 267 HG3 GLU 38 2HG GLU 38 10.313 8.929 0.658 268 H LYS 39 H LYS 39 9.154 12.951 2.320 269 HA LYS 39 HA LYS 39 6.522 14.014 2.729 270 HB2 LYS 39 1HB LYS 39 7.651 16.039 3.434 271 HB3 LYS 39 2HB LYS 39 8.451 14.644 4.146 272 HG2 LYS 39 1HG LYS 39 10.024 14.836 2.082 273 HG3 LYS 39 2HG LYS 39 9.406 16.487 2.005 274 HD2 LYS 39 1HD LYS 39 11.234 16.786 3.360 275 HD3 LYS 39 2HD LYS 39 9.987 16.477 4.570 276 HE2 LYS 39 1HE LYS 39 10.751 14.335 4.997 277 HE3 LYS 39 2HE LYS 39 11.559 14.202 3.436 278 HZ1 LYS 39 3HZ LYS 39 12.770 14.776 5.791 279 HZ2 LYS 39 1HZ LYS 39 12.613 16.305 5.084 280 HZ3 LYS 39 2HZ LYS 39 13.423 15.071 4.259 281 HA PRO 40 HA PRO 40 5.785 15.674 -1.281 282 HB2 PRO 40 1HB PRO 40 4.026 17.633 -0.620 283 HB3 PRO 40 2HB PRO 40 3.600 15.917 -0.614 284 HG2 PRO 40 1HG PRO 40 4.359 17.688 1.677 285 HG3 PRO 40 2HG PRO 40 3.071 16.474 1.581 286 HD2 PRO 40 1HD PRO 40 5.443 15.987 2.791 287 HD3 PRO 40 2HD PRO 40 4.521 14.722 1.954 288 H SER 41 H SER 41 7.377 17.345 1.183 289 HA SER 41 HA SER 41 7.606 19.939 0.603 290 HB2 SER 41 1HB SER 41 9.766 19.930 1.502 291 HB3 SER 41 2HB SER 41 9.065 18.452 2.161 292 HG SER 41 HG SER 41 10.743 18.640 -0.122 293 H GLY 42 H GLY 42 8.070 21.211 -1.076 294 HA2 GLY 42 1HA GLY 42 8.710 21.882 -3.175 295 HA3 GLY 42 2HA GLY 42 10.015 20.713 -3.031 296 HA PRO 43 HA PRO 43 6.450 19.382 -5.998 297 HB2 PRO 43 1HB PRO 43 7.195 20.573 -8.321 298 HB3 PRO 43 2HB PRO 43 6.071 21.317 -7.177 299 HG2 PRO 43 1HG PRO 43 8.999 21.816 -7.553 300 HG3 PRO 43 2HG PRO 43 7.688 22.983 -7.299 301 HD2 PRO 43 1HD PRO 43 9.346 22.199 -5.307 302 HD3 PRO 43 2HD PRO 43 7.649 22.634 -5.021 303 H SER 44 H SER 44 9.764 20.134 -7.098 304 HA SER 44 HA SER 44 10.076 17.293 -7.806 305 HB2 SER 44 1HB SER 44 10.999 19.699 -9.393 306 HB3 SER 44 2HB SER 44 11.503 18.042 -9.727 307 HG SER 44 HG SER 44 9.194 17.578 -9.925 308 H SER 45 H SER 45 12.407 16.658 -8.014 309 HA SER 45 HA SER 45 14.055 18.123 -6.057 310 HB2 SER 45 1HB SER 45 13.063 15.784 -5.425 311 HB3 SER 45 2HB SER 45 14.342 15.164 -6.469 312 HG SER 45 HG SER 45 15.105 15.299 -4.362 313 H GLY 46 H GLY 46 14.189 18.742 -8.745 314 HA2 GLY 46 1HA GLY 46 15.947 19.233 -10.185 315 HA3 GLY 46 2HA GLY 46 16.963 18.120 -9.280 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -25.384 7.233 14.130 2 HA2 GLY 1 1HA GLY 1 -23.854 9.036 12.361 3 HA3 GLY 1 2HA GLY 1 -23.128 7.976 13.560 4 H SER 2 H SER 2 -22.327 8.021 10.883 5 HA SER 2 HA SER 2 -23.147 5.324 10.040 6 HB2 SER 2 1HB SER 2 -23.285 5.947 7.771 7 HB3 SER 2 2HB SER 2 -24.103 7.254 8.627 8 HG SER 2 HG SER 2 -21.773 7.288 7.170 9 H SER 3 H SER 3 -21.545 4.019 9.190 10 HA SER 3 HA SER 3 -18.844 4.771 9.909 11 HB2 SER 3 1HB SER 3 -19.946 2.471 10.294 12 HB3 SER 3 2HB SER 3 -19.639 2.186 8.581 13 HG SER 3 HG SER 3 -17.893 1.419 9.731 14 H GLY 4 H GLY 4 -18.508 6.436 8.336 15 HA2 GLY 4 1HA GLY 4 -18.506 5.689 5.528 16 HA3 GLY 4 2HA GLY 4 -18.116 7.270 6.189 17 H SER 5 H SER 5 -16.750 4.051 6.839 18 HA SER 5 HA SER 5 -14.085 5.177 6.395 19 HB2 SER 5 1HB SER 5 -15.092 2.730 7.830 20 HB3 SER 5 2HB SER 5 -13.390 2.894 7.397 21 HG SER 5 HG SER 5 -14.011 3.684 9.538 22 H SER 6 H SER 6 -15.977 2.288 5.526 23 HA SER 6 HA SER 6 -14.093 1.668 3.393 24 HB2 SER 6 1HB SER 6 -16.521 0.214 4.455 25 HB3 SER 6 2HB SER 6 -15.575 -0.351 3.077 26 HG SER 6 HG SER 6 -14.705 -1.356 4.814 27 H GLY 7 H GLY 7 -14.405 2.139 1.309 28 HA2 GLY 7 1HA GLY 7 -17.101 3.035 0.494 29 HA3 GLY 7 2HA GLY 7 -15.636 3.843 -0.044 30 H THR 8 H THR 8 -16.930 0.520 0.053 31 HA THR 8 HA THR 8 -16.842 0.250 -2.783 32 HB THR 8 HB THR 8 -14.437 0.041 -2.368 33 HG1 THR 8 HG1 THR 8 -15.250 -2.600 -2.873 34 HG21 THR 8 3HG2 THR 8 -14.136 -0.726 -0.206 35 HG22 THR 8 1HG2 THR 8 -13.784 -2.174 -1.149 36 HG23 THR 8 2HG2 THR 8 -15.356 -1.988 -0.372 37 H GLY 9 H GLY 9 -17.718 -1.745 -3.519 38 HA2 GLY 9 1HA GLY 9 -18.745 -3.536 -1.425 39 HA3 GLY 9 2HA GLY 9 -19.872 -2.816 -2.565 40 H LYS 10 H LYS 10 -18.809 -3.039 -4.957 41 HA LYS 10 HA LYS 10 -19.129 -5.729 -5.643 42 HB2 LYS 10 1HB LYS 10 -18.001 -3.358 -7.107 43 HB3 LYS 10 2HB LYS 10 -18.012 -4.954 -7.847 44 HG2 LYS 10 1HG LYS 10 -20.543 -4.914 -7.206 45 HG3 LYS 10 2HG LYS 10 -20.294 -3.167 -7.157 46 HD2 LYS 10 1HD LYS 10 -19.263 -3.407 -9.471 47 HD3 LYS 10 2HD LYS 10 -19.930 -5.042 -9.482 48 HE2 LYS 10 1HE LYS 10 -22.134 -4.267 -9.435 49 HE3 LYS 10 2HE LYS 10 -21.655 -2.664 -8.880 50 HZ1 LYS 10 3HZ LYS 10 -20.403 -2.684 -11.180 51 HZ2 LYS 10 1HZ LYS 10 -22.026 -2.222 -11.060 52 HZ3 LYS 10 2HZ LYS 10 -21.627 -3.781 -11.580 53 H LYS 11 H LYS 11 -16.124 -3.806 -5.791 54 HA LYS 11 HA LYS 11 -14.493 -6.140 -6.092 55 HB2 LYS 11 1HB LYS 11 -13.950 -3.212 -5.726 56 HB3 LYS 11 2HB LYS 11 -12.638 -4.376 -5.595 57 HG2 LYS 11 1HG LYS 11 -12.598 -3.612 -7.814 58 HG3 LYS 11 2HG LYS 11 -13.332 -5.216 -7.878 59 HD2 LYS 11 1HD LYS 11 -15.573 -4.085 -7.829 60 HD3 LYS 11 2HD LYS 11 -14.728 -2.547 -8.019 61 HE2 LYS 11 1HE LYS 11 -15.471 -3.290 -10.177 62 HE3 LYS 11 2HE LYS 11 -13.715 -3.425 -10.108 63 HZ1 LYS 11 3HZ LYS 11 -14.530 -5.394 -11.098 64 HZ2 LYS 11 1HZ LYS 11 -15.701 -5.615 -9.897 65 HZ3 LYS 11 2HZ LYS 11 -14.063 -5.816 -9.528 66 HA PRO 12 HA PRO 12 -13.717 -7.216 -1.908 67 HB2 PRO 12 1HB PRO 12 -11.135 -8.043 -2.039 68 HB3 PRO 12 2HB PRO 12 -12.477 -8.976 -2.712 69 HG2 PRO 12 1HG PRO 12 -10.552 -7.154 -4.103 70 HG3 PRO 12 2HG PRO 12 -11.155 -8.743 -4.610 71 HD2 PRO 12 1HD PRO 12 -12.139 -6.425 -5.607 72 HD3 PRO 12 2HD PRO 12 -13.140 -7.877 -5.400 73 H TYR 13 H TYR 13 -10.973 -5.430 -3.329 74 HA TYR 13 HA TYR 13 -11.077 -3.476 -1.209 75 HB2 TYR 13 1HB TYR 13 -8.518 -5.043 -1.522 76 HB3 TYR 13 2HB TYR 13 -8.913 -3.853 -0.287 77 HD1 TYR 13 HD1 TYR 13 -10.454 -4.430 1.545 78 HD2 TYR 13 HD2 TYR 13 -9.240 -7.324 -1.328 79 HE1 TYR 13 HE1 TYR 13 -11.241 -6.226 3.030 80 HE2 TYR 13 HE2 TYR 13 -10.025 -9.128 0.149 81 HH TYR 13 HH TYR 13 -10.867 -8.595 3.413 82 H LYS 14 H LYS 14 -10.914 -1.640 -2.296 83 HA LYS 14 HA LYS 14 -9.009 -1.493 -4.540 84 HB2 LYS 14 1HB LYS 14 -11.285 -1.249 -5.330 85 HB3 LYS 14 2HB LYS 14 -11.611 -0.014 -4.121 86 HG2 LYS 14 1HG LYS 14 -9.805 1.363 -5.230 87 HG3 LYS 14 2HG LYS 14 -9.845 0.183 -6.542 88 HD2 LYS 14 1HD LYS 14 -12.201 0.651 -6.918 89 HD3 LYS 14 2HD LYS 14 -12.212 1.779 -5.561 90 HE2 LYS 14 1HE LYS 14 -10.237 2.205 -7.746 91 HE3 LYS 14 2HE LYS 14 -11.925 2.608 -8.053 92 HZ1 LYS 14 3HZ LYS 14 -11.457 4.540 -7.086 93 HZ2 LYS 14 1HZ LYS 14 -9.986 3.986 -6.461 94 HZ3 LYS 14 2HZ LYS 14 -11.423 3.706 -5.615 95 H CYS 15 H CYS 15 -7.713 0.338 -4.741 96 HA CYS 15 HA CYS 15 -7.110 1.660 -2.248 97 HB2 CYS 15 1HB CYS 15 -5.376 0.835 -3.899 98 HB3 CYS 15 2HB CYS 15 -5.851 2.169 -4.945 99 H ASN 16 H ASN 16 -7.847 3.575 -1.618 100 HA ASN 16 HA ASN 16 -9.549 5.112 -3.371 101 HB2 ASN 16 1HB ASN 16 -8.785 5.298 -0.470 102 HB3 ASN 16 2HB ASN 16 -9.627 6.628 -1.260 103 HD21 ASN 16 1HD2 ASN 16 -9.864 3.436 -0.005 104 HD22 ASN 16 2HD2 ASN 16 -11.570 3.251 -0.205 105 H GLU 17 H GLU 17 -6.332 4.923 -3.176 106 HA GLU 17 HA GLU 17 -5.808 7.796 -3.339 107 HB2 GLU 17 1HB GLU 17 -3.822 5.522 -3.421 108 HB3 GLU 17 2HB GLU 17 -3.465 7.229 -3.201 109 HG2 GLU 17 1HG GLU 17 -5.053 6.937 -1.118 110 HG3 GLU 17 2HG GLU 17 -4.557 5.253 -1.276 111 H CYS 18 H CYS 18 -5.181 4.832 -5.210 112 HA CYS 18 HA CYS 18 -4.975 6.510 -7.625 113 HB2 CYS 18 1HB CYS 18 -3.637 4.632 -8.590 114 HB3 CYS 18 2HB CYS 18 -2.873 5.410 -7.208 115 H GLY 19 H GLY 19 -6.051 3.334 -6.434 116 HA2 GLY 19 1HA GLY 19 -8.458 2.876 -7.032 117 HA3 GLY 19 2HA GLY 19 -7.973 3.259 -8.677 118 H LYS 20 H LYS 20 -5.609 1.618 -6.858 119 HA LYS 20 HA LYS 20 -5.743 -0.667 -8.570 120 HB2 LYS 20 1HB LYS 20 -3.704 0.471 -7.312 121 HB3 LYS 20 2HB LYS 20 -4.127 -0.691 -6.061 122 HG2 LYS 20 1HG LYS 20 -3.663 -2.521 -7.444 123 HG3 LYS 20 2HG LYS 20 -3.680 -1.531 -8.905 124 HD2 LYS 20 1HD LYS 20 -1.682 -0.985 -6.746 125 HD3 LYS 20 2HD LYS 20 -1.408 -2.300 -7.891 126 HE2 LYS 20 1HE LYS 20 -1.677 -0.688 -9.745 127 HE3 LYS 20 2HE LYS 20 -1.848 0.608 -8.563 128 HZ1 LYS 20 3HZ LYS 20 0.543 -1.060 -9.088 129 HZ2 LYS 20 1HZ LYS 20 0.396 -0.078 -7.719 130 HZ3 LYS 20 2HZ LYS 20 0.388 0.615 -9.261 131 H VAL 21 H VAL 21 -6.438 -2.717 -8.145 132 HA VAL 21 HA VAL 21 -7.901 -3.095 -5.614 133 HB VAL 21 HB VAL 21 -8.444 -4.444 -8.262 134 HG11 VAL 21 1HG1 VAL 21 -9.211 -5.921 -6.649 135 HG12 VAL 21 2HG1 VAL 21 -9.685 -4.629 -5.545 136 HG13 VAL 21 3HG1 VAL 21 -10.642 -4.950 -6.991 137 HG21 VAL 21 3HG2 VAL 21 -9.222 -2.341 -8.705 138 HG22 VAL 21 1HG2 VAL 21 -10.636 -3.013 -7.892 139 HG23 VAL 21 2HG2 VAL 21 -9.520 -1.972 -7.006 140 H PHE 22 H PHE 22 -7.628 -4.969 -4.461 141 HA PHE 22 HA PHE 22 -5.750 -6.963 -5.515 142 HB2 PHE 22 1HB PHE 22 -5.585 -5.983 -2.669 143 HB3 PHE 22 2HB PHE 22 -4.427 -6.978 -3.547 144 HD1 PHE 22 HD2 PHE 22 -5.984 -3.596 -3.636 145 HD2 PHE 22 HD1 PHE 22 -2.562 -5.987 -4.467 146 HE1 PHE 22 HE2 PHE 22 -4.726 -1.574 -4.257 147 HE2 PHE 22 HE1 PHE 22 -1.298 -3.970 -5.088 148 HZ PHE 22 HZ PHE 22 -2.380 -1.760 -4.985 149 H THR 23 H THR 23 -6.433 -8.986 -5.239 150 HA THR 23 HA THR 23 -8.927 -9.706 -4.383 151 HB THR 23 HB THR 23 -8.078 -12.017 -4.128 152 HG1 THR 23 HG1 THR 23 -5.645 -10.642 -4.052 153 HG21 THR 23 3HG2 THR 23 -8.359 -12.004 -6.341 154 HG22 THR 23 1HG2 THR 23 -6.638 -11.650 -6.495 155 HG23 THR 23 2HG2 THR 23 -7.810 -10.332 -6.457 156 H GLN 24 H GLN 24 -5.966 -9.562 -2.450 157 HA GLN 24 HA GLN 24 -7.576 -10.082 -0.042 158 HB2 GLN 24 1HB GLN 24 -4.600 -10.355 -0.492 159 HB3 GLN 24 2HB GLN 24 -5.401 -10.601 1.054 160 HG2 GLN 24 1HG GLN 24 -6.805 -12.356 -0.181 161 HG3 GLN 24 2HG GLN 24 -5.568 -12.258 -1.432 162 HE21 GLN 24 1HE2 GLN 24 -6.262 -13.168 1.854 163 HE22 GLN 24 2HE2 GLN 24 -4.840 -14.116 2.104 164 H ASN 25 H ASN 25 -7.307 -8.762 1.796 165 HA ASN 25 HA ASN 25 -7.018 -6.006 1.243 166 HB2 ASN 25 1HB ASN 25 -7.215 -5.737 3.724 167 HB3 ASN 25 2HB ASN 25 -8.494 -6.716 3.011 168 HD21 ASN 25 1HD2 ASN 25 -7.267 -6.577 5.741 169 HD22 ASN 25 2HD2 ASN 25 -6.856 -8.213 6.115 170 H SER 26 H SER 26 -4.957 -8.306 2.999 171 HA SER 26 HA SER 26 -2.979 -6.652 3.914 172 HB2 SER 26 1HB SER 26 -3.153 -9.161 4.225 173 HB3 SER 26 2HB SER 26 -2.409 -9.331 2.635 174 HG SER 26 HG SER 26 -0.551 -8.482 3.398 175 H HIS 27 H HIS 27 -3.375 -7.922 0.643 176 HA HIS 27 HA HIS 27 -0.936 -7.001 -0.412 177 HB2 HIS 27 1HB HIS 27 -3.595 -7.606 -1.703 178 HB3 HIS 27 2HB HIS 27 -2.176 -7.130 -2.631 179 HD2 HIS 27 HD2 HIS 27 -2.487 -9.886 0.207 180 HE1 HIS 27 HE1 HIS 27 -0.712 -11.573 -3.257 181 HE2 HIS 27 HE2 HIS 27 -1.513 -12.006 -0.909 182 H LEU 28 H LEU 28 -4.047 -5.443 0.043 183 HA LEU 28 HA LEU 28 -3.352 -3.105 -1.478 184 HB2 LEU 28 1HB LEU 28 -5.638 -3.553 -1.426 185 HB3 LEU 28 2HB LEU 28 -5.631 -3.869 0.308 186 HG LEU 28 HG LEU 28 -5.269 -1.438 0.691 187 HD11 LEU 28 1HD1 LEU 28 -5.368 -1.432 -2.288 188 HD12 LEU 28 2HD1 LEU 28 -4.317 -0.535 -1.193 189 HD13 LEU 28 3HD1 LEU 28 -5.999 -0.048 -1.396 190 HD21 LEU 28 3HD2 LEU 28 -7.523 -2.584 0.653 191 HD22 LEU 28 1HD2 LEU 28 -7.724 -1.935 -0.974 192 HD23 LEU 28 2HD2 LEU 28 -7.535 -0.839 0.395 193 H ALA 29 H ALA 29 -3.841 -3.757 1.992 194 HA ALA 29 HA ALA 29 -3.222 -1.313 3.054 195 HB1 ALA 29 3HB ALA 29 -3.793 -2.691 4.742 196 HB2 ALA 29 1HB ALA 29 -3.019 -4.093 4.003 197 HB3 ALA 29 2HB ALA 29 -2.049 -2.912 4.884 198 H ARG 30 H ARG 30 -0.915 -3.881 2.193 199 HA ARG 30 HA ARG 30 1.393 -2.423 2.949 200 HB2 ARG 30 1HB ARG 30 2.651 -4.151 1.857 201 HB3 ARG 30 2HB ARG 30 1.288 -4.904 2.674 202 HG2 ARG 30 1HG ARG 30 0.081 -4.941 0.504 203 HG3 ARG 30 2HG ARG 30 1.547 -4.337 -0.270 204 HD2 ARG 30 1HD ARG 30 1.370 -6.889 1.328 205 HD3 ARG 30 2HD ARG 30 1.281 -6.799 -0.431 206 HE ARG 30 HE ARG 30 3.616 -5.525 0.248 207 HH11 ARG 30 1HH1 ARG 30 2.256 -8.694 0.722 208 HH12 ARG 30 2HH1 ARG 30 3.793 -9.494 0.739 209 HH21 ARG 30 1HH2 ARG 30 5.646 -6.566 0.269 210 HH22 ARG 30 2HH2 ARG 30 5.720 -8.282 0.482 211 H HIS 31 H HIS 31 -0.428 -2.693 -0.042 212 HA HIS 31 HA HIS 31 1.448 -1.466 -1.751 213 HB2 HIS 31 1HB HIS 31 -0.189 -2.485 -2.986 214 HB3 HIS 31 2HB HIS 31 -1.464 -2.056 -1.850 215 HD1 HIS 31 HD1 HIS 31 0.532 -0.609 -4.702 216 HD2 HIS 31 HD2 HIS 31 -2.866 0.235 -2.465 217 HE1 HIS 31 HE1 HIS 31 -0.591 1.308 -5.881 218 H ARG 32 H ARG 32 -1.391 -0.111 -0.076 219 HA ARG 32 HA ARG 32 -1.403 2.461 -0.851 220 HB2 ARG 32 1HB ARG 32 -1.602 1.481 2.002 221 HB3 ARG 32 2HB ARG 32 -2.088 3.083 1.463 222 HG2 ARG 32 1HG ARG 32 -3.787 2.118 0.031 223 HG3 ARG 32 2HG ARG 32 -3.268 0.493 0.482 224 HD2 ARG 32 1HD ARG 32 -5.179 0.976 1.793 225 HD3 ARG 32 2HD ARG 32 -3.788 1.114 2.867 226 HE ARG 32 HE ARG 32 -5.542 3.244 1.999 227 HH11 ARG 32 1HH1 ARG 32 -2.490 2.382 3.434 228 HH12 ARG 32 2HH1 ARG 32 -2.273 3.916 4.209 229 HH21 ARG 32 1HH2 ARG 32 -5.268 5.268 3.014 230 HH22 ARG 32 2HH2 ARG 32 -3.854 5.557 3.971 231 H GLY 33 H GLY 33 1.125 0.915 0.952 232 HA2 GLY 33 1HA GLY 33 2.407 3.093 2.117 233 HA3 GLY 33 2HA GLY 33 3.216 1.633 1.566 234 H ILE 34 H ILE 34 2.797 1.784 -1.161 235 HA ILE 34 HA ILE 34 4.896 3.279 -2.078 236 HB ILE 34 HB ILE 34 4.035 3.038 -4.310 237 HG12 ILE 34 1HG1 ILE 34 1.420 1.956 -3.367 238 HG13 ILE 34 2HG1 ILE 34 1.629 3.703 -3.394 239 HG21 ILE 34 1HG2 ILE 34 2.979 0.525 -3.745 240 HG22 ILE 34 2HG2 ILE 34 4.667 0.921 -4.064 241 HG23 ILE 34 3HG2 ILE 34 4.071 0.871 -2.405 242 HD11 ILE 34 3HD1 ILE 34 1.327 1.798 -5.602 243 HD12 ILE 34 1HD1 ILE 34 0.866 3.496 -5.489 244 HD13 ILE 34 2HD1 ILE 34 2.536 3.058 -5.850 245 H HIS 35 H HIS 35 1.756 4.389 -1.204 246 HA HIS 35 HA HIS 35 1.959 6.885 -2.650 247 HB2 HIS 35 1HB HIS 35 -0.035 5.849 -0.632 248 HB3 HIS 35 2HB HIS 35 -0.141 7.446 -1.366 249 HD1 HIS 35 HD1 HIS 35 0.091 7.130 -4.223 250 HD2 HIS 35 HD2 HIS 35 -1.670 4.150 -1.926 251 HE1 HIS 35 HE1 HIS 35 -1.329 5.803 -5.818 252 H THR 36 H THR 36 1.882 5.934 0.784 253 HA THR 36 HA THR 36 3.293 8.446 1.411 254 HB THR 36 HB THR 36 1.278 8.671 2.547 255 HG1 THR 36 HG1 THR 36 1.939 7.729 4.817 256 HG21 THR 36 3HG2 THR 36 0.338 6.731 3.927 257 HG22 THR 36 1HG2 THR 36 1.445 5.705 3.015 258 HG23 THR 36 2HG2 THR 36 0.193 6.618 2.173 259 H GLY 37 H GLY 37 5.179 8.345 2.508 260 HA2 GLY 37 1HA GLY 37 5.992 6.326 4.258 261 HA3 GLY 37 2HA GLY 37 6.582 5.899 2.659 262 H GLU 38 H GLU 38 7.476 7.302 5.450 263 HA GLU 38 HA GLU 38 9.480 8.982 4.098 264 HB2 GLU 38 1HB GLU 38 8.127 9.570 6.738 265 HB3 GLU 38 2HB GLU 38 9.425 10.517 6.024 266 HG2 GLU 38 1HG GLU 38 6.865 10.068 4.546 267 HG3 GLU 38 2HG GLU 38 7.001 11.332 5.767 268 H LYS 39 H LYS 39 11.532 8.535 4.590 269 HA LYS 39 HA LYS 39 12.037 6.688 6.826 270 HB2 LYS 39 1HB LYS 39 12.604 6.172 4.289 271 HB3 LYS 39 2HB LYS 39 14.039 7.120 4.654 272 HG2 LYS 39 1HG LYS 39 13.199 4.795 6.353 273 HG3 LYS 39 2HG LYS 39 14.203 4.598 4.915 274 HD2 LYS 39 1HD LYS 39 14.955 6.582 7.028 275 HD3 LYS 39 2HD LYS 39 15.340 4.871 7.231 276 HE2 LYS 39 1HE LYS 39 16.773 4.850 5.401 277 HE3 LYS 39 2HE LYS 39 16.058 6.302 4.701 278 HZ1 LYS 39 3HZ LYS 39 16.999 7.208 7.051 279 HZ2 LYS 39 1HZ LYS 39 17.831 7.310 5.581 280 HZ3 LYS 39 2HZ LYS 39 18.165 6.047 6.655 281 HA PRO 40 HA PRO 40 13.952 10.668 8.148 282 HB2 PRO 40 1HB PRO 40 13.343 10.334 10.773 283 HB3 PRO 40 2HB PRO 40 12.217 11.041 9.608 284 HG2 PRO 40 1HG PRO 40 12.337 8.245 10.670 285 HG3 PRO 40 2HG PRO 40 10.923 9.282 10.407 286 HD2 PRO 40 1HD PRO 40 11.638 7.327 8.676 287 HD3 PRO 40 2HD PRO 40 10.854 8.830 8.148 288 H SER 41 H SER 41 16.089 10.630 8.385 289 HA SER 41 HA SER 41 17.580 8.360 9.065 290 HB2 SER 41 1HB SER 41 18.189 11.262 8.729 291 HB3 SER 41 2HB SER 41 19.400 10.247 9.512 292 HG SER 41 HG SER 41 19.917 9.594 7.596 293 H GLY 42 H GLY 42 18.782 7.829 10.919 294 HA2 GLY 42 1HA GLY 42 18.860 9.296 13.301 295 HA3 GLY 42 2HA GLY 42 17.457 8.240 13.374 296 HA PRO 43 HA PRO 43 21.596 6.061 14.422 297 HB2 PRO 43 1HB PRO 43 21.549 6.252 17.130 298 HB3 PRO 43 2HB PRO 43 22.350 7.441 16.097 299 HG2 PRO 43 1HG PRO 43 19.652 7.566 17.388 300 HG3 PRO 43 2HG PRO 43 20.889 8.830 17.255 301 HD2 PRO 43 1HD PRO 43 18.728 8.729 15.626 302 HD3 PRO 43 2HD PRO 43 20.301 9.354 15.089 303 H SER 44 H SER 44 18.303 5.925 15.093 304 HA SER 44 HA SER 44 18.069 3.721 16.795 305 HB2 SER 44 1HB SER 44 16.252 4.665 14.567 306 HB3 SER 44 2HB SER 44 15.813 3.423 15.740 307 HG SER 44 HG SER 44 15.569 4.905 17.236 308 H SER 45 H SER 45 18.580 1.655 16.551 309 HA SER 45 HA SER 45 18.947 0.615 13.817 310 HB2 SER 45 1HB SER 45 20.945 0.825 15.533 311 HB3 SER 45 2HB SER 45 20.268 -0.672 16.174 312 HG SER 45 HG SER 45 21.239 -1.635 14.594 313 H GLY 46 H GLY 46 18.721 -1.832 13.714 314 HA2 GLY 46 1HA GLY 46 17.506 -3.545 15.362 315 HA3 GLY 46 2HA GLY 46 16.157 -2.514 14.907 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -32.453 15.762 -13.325 2 HA2 GLY 1 1HA GLY 1 -33.247 15.639 -16.164 3 HA3 GLY 1 2HA GLY 1 -31.868 16.606 -15.661 4 H SER 2 H SER 2 -29.983 15.665 -16.010 5 HA SER 2 HA SER 2 -29.475 13.205 -16.997 6 HB2 SER 2 1HB SER 2 -27.697 14.811 -16.828 7 HB3 SER 2 2HB SER 2 -27.776 14.796 -15.066 8 HG SER 2 HG SER 2 -26.122 13.462 -15.544 9 H SER 3 H SER 3 -29.966 11.229 -16.345 10 HA SER 3 HA SER 3 -29.803 10.609 -13.470 11 HB2 SER 3 1HB SER 3 -31.990 10.042 -15.426 12 HB3 SER 3 2HB SER 3 -31.673 8.861 -14.155 13 HG SER 3 HG SER 3 -33.235 10.635 -13.708 14 H GLY 4 H GLY 4 -29.464 8.300 -13.001 15 HA2 GLY 4 1HA GLY 4 -28.932 6.108 -14.136 16 HA3 GLY 4 2HA GLY 4 -27.816 7.053 -15.111 17 H SER 5 H SER 5 -28.552 6.696 -11.637 18 HA SER 5 HA SER 5 -25.672 6.275 -11.183 19 HB2 SER 5 1HB SER 5 -27.582 7.926 -9.514 20 HB3 SER 5 2HB SER 5 -25.947 7.493 -9.014 21 HG SER 5 HG SER 5 -26.053 8.595 -11.514 22 H SER 6 H SER 6 -26.053 4.018 -11.173 23 HA SER 6 HA SER 6 -27.353 3.067 -8.708 24 HB2 SER 6 1HB SER 6 -28.575 2.596 -10.955 25 HB3 SER 6 2HB SER 6 -27.304 1.400 -11.210 26 HG SER 6 HG SER 6 -29.020 1.519 -8.951 27 H GLY 7 H GLY 7 -25.780 2.391 -7.406 28 HA2 GLY 7 1HA GLY 7 -24.319 0.373 -7.116 29 HA3 GLY 7 2HA GLY 7 -23.540 0.882 -8.607 30 H THR 8 H THR 8 -22.916 0.668 -5.515 31 HA THR 8 HA THR 8 -21.609 3.298 -5.299 32 HB THR 8 HB THR 8 -21.432 2.818 -2.863 33 HG1 THR 8 HG1 THR 8 -22.522 1.046 -2.026 34 HG21 THR 8 3HG2 THR 8 -24.087 2.770 -2.581 35 HG22 THR 8 1HG2 THR 8 -24.006 3.104 -4.310 36 HG23 THR 8 2HG2 THR 8 -23.224 4.193 -3.164 37 H GLY 9 H GLY 9 -21.092 -0.144 -4.514 38 HA2 GLY 9 1HA GLY 9 -18.529 -0.261 -5.662 39 HA3 GLY 9 2HA GLY 9 -18.352 0.064 -3.944 40 H LYS 10 H LYS 10 -18.317 -2.333 -6.142 41 HA LYS 10 HA LYS 10 -19.265 -4.328 -4.191 42 HB2 LYS 10 1HB LYS 10 -19.827 -5.794 -6.065 43 HB3 LYS 10 2HB LYS 10 -20.697 -4.270 -6.181 44 HG2 LYS 10 1HG LYS 10 -18.753 -3.551 -7.726 45 HG3 LYS 10 2HG LYS 10 -18.433 -5.283 -7.848 46 HD2 LYS 10 1HD LYS 10 -20.482 -5.713 -8.871 47 HD3 LYS 10 2HD LYS 10 -21.189 -4.197 -8.308 48 HE2 LYS 10 1HE LYS 10 -19.529 -3.011 -9.790 49 HE3 LYS 10 2HE LYS 10 -19.128 -4.587 -10.470 50 HZ1 LYS 10 3HZ LYS 10 -21.870 -4.432 -10.561 51 HZ2 LYS 10 1HZ LYS 10 -20.805 -4.271 -11.865 52 HZ3 LYS 10 2HZ LYS 10 -21.343 -2.898 -11.038 53 H LYS 11 H LYS 11 -16.694 -3.361 -4.029 54 HA LYS 11 HA LYS 11 -15.108 -5.629 -5.043 55 HB2 LYS 11 1HB LYS 11 -14.189 -2.784 -4.592 56 HB3 LYS 11 2HB LYS 11 -13.156 -4.118 -5.087 57 HG2 LYS 11 1HG LYS 11 -14.026 -4.184 -7.214 58 HG3 LYS 11 2HG LYS 11 -15.549 -3.436 -6.729 59 HD2 LYS 11 1HD LYS 11 -14.621 -1.297 -6.680 60 HD3 LYS 11 2HD LYS 11 -12.970 -1.914 -6.576 61 HE2 LYS 11 1HE LYS 11 -13.060 -1.233 -8.772 62 HE3 LYS 11 2HE LYS 11 -13.513 -2.930 -8.920 63 HZ1 LYS 11 3HZ LYS 11 -14.911 -1.012 -10.035 64 HZ2 LYS 11 1HZ LYS 11 -15.661 -0.991 -8.518 65 HZ3 LYS 11 2HZ LYS 11 -15.645 -2.412 -9.435 66 HA PRO 12 HA PRO 12 -14.069 -6.578 -0.882 67 HB2 PRO 12 1HB PRO 12 -11.610 -7.677 -1.223 68 HB3 PRO 12 2HB PRO 12 -13.103 -8.496 -1.698 69 HG2 PRO 12 1HG PRO 12 -11.166 -6.959 -3.385 70 HG3 PRO 12 2HG PRO 12 -11.974 -8.500 -3.731 71 HD2 PRO 12 1HD PRO 12 -12.824 -6.145 -4.763 72 HD3 PRO 12 2HD PRO 12 -13.936 -7.472 -4.368 73 H TYR 13 H TYR 13 -11.310 -5.185 -2.669 74 HA TYR 13 HA TYR 13 -11.001 -3.114 -0.684 75 HB2 TYR 13 1HB TYR 13 -8.636 -4.925 -1.133 76 HB3 TYR 13 2HB TYR 13 -8.839 -3.680 0.094 77 HD1 TYR 13 HD1 TYR 13 -10.567 -4.072 1.922 78 HD2 TYR 13 HD2 TYR 13 -9.224 -7.153 -0.687 79 HE1 TYR 13 HE1 TYR 13 -11.375 -5.764 3.514 80 HE2 TYR 13 HE2 TYR 13 -10.029 -8.853 0.897 81 HH TYR 13 HH TYR 13 -12.153 -8.281 3.287 82 H LYS 14 H LYS 14 -10.906 -1.424 -2.011 83 HA LYS 14 HA LYS 14 -9.076 -1.563 -4.318 84 HB2 LYS 14 1HB LYS 14 -11.285 -1.360 -5.176 85 HB3 LYS 14 2HB LYS 14 -11.707 -0.128 -3.995 86 HG2 LYS 14 1HG LYS 14 -10.240 1.461 -5.068 87 HG3 LYS 14 2HG LYS 14 -9.692 0.226 -6.205 88 HD2 LYS 14 1HD LYS 14 -12.110 0.005 -6.922 89 HD3 LYS 14 2HD LYS 14 -12.427 1.466 -5.984 90 HE2 LYS 14 1HE LYS 14 -10.337 1.315 -8.145 91 HE3 LYS 14 2HE LYS 14 -12.003 1.801 -8.452 92 HZ1 LYS 14 3HZ LYS 14 -11.759 3.697 -7.121 93 HZ2 LYS 14 1HZ LYS 14 -10.340 3.637 -8.040 94 HZ3 LYS 14 2HZ LYS 14 -10.321 3.145 -6.422 95 H CYS 15 H CYS 15 -7.720 0.171 -4.715 96 HA CYS 15 HA CYS 15 -7.104 1.798 -2.408 97 HB2 CYS 15 1HB CYS 15 -5.445 0.661 -4.062 98 HB3 CYS 15 2HB CYS 15 -5.754 2.066 -5.077 99 H ASN 16 H ASN 16 -8.188 3.612 -2.040 100 HA ASN 16 HA ASN 16 -9.615 5.008 -4.085 101 HB2 ASN 16 1HB ASN 16 -9.133 5.442 -1.158 102 HB3 ASN 16 2HB ASN 16 -9.820 6.741 -2.128 103 HD21 ASN 16 1HD2 ASN 16 -10.399 3.812 -0.511 104 HD22 ASN 16 2HD2 ASN 16 -12.063 3.631 -0.939 105 H GLU 17 H GLU 17 -6.414 4.881 -3.488 106 HA GLU 17 HA GLU 17 -5.853 7.712 -3.889 107 HB2 GLU 17 1HB GLU 17 -4.222 5.305 -3.203 108 HB3 GLU 17 2HB GLU 17 -3.419 6.685 -3.940 109 HG2 GLU 17 1HG GLU 17 -4.949 6.634 -1.353 110 HG3 GLU 17 2HG GLU 17 -3.215 6.862 -1.571 111 H CYS 18 H CYS 18 -5.172 4.620 -5.516 112 HA CYS 18 HA CYS 18 -4.721 6.127 -8.007 113 HB2 CYS 18 1HB CYS 18 -3.445 4.132 -8.770 114 HB3 CYS 18 2HB CYS 18 -2.743 4.899 -7.350 115 H GLY 19 H GLY 19 -6.313 3.321 -6.577 116 HA2 GLY 19 1HA GLY 19 -8.564 2.782 -7.280 117 HA3 GLY 19 2HA GLY 19 -8.123 3.284 -8.905 118 H LYS 20 H LYS 20 -6.474 1.121 -6.618 119 HA LYS 20 HA LYS 20 -6.655 -0.999 -8.658 120 HB2 LYS 20 1HB LYS 20 -4.423 -0.098 -6.909 121 HB3 LYS 20 2HB LYS 20 -4.556 -1.824 -7.223 122 HG2 LYS 20 1HG LYS 20 -4.132 -1.583 -9.477 123 HG3 LYS 20 2HG LYS 20 -4.632 0.110 -9.496 124 HD2 LYS 20 1HD LYS 20 -2.633 0.693 -8.183 125 HD3 LYS 20 2HD LYS 20 -2.129 -0.998 -8.224 126 HE2 LYS 20 1HE LYS 20 -0.921 -0.149 -9.980 127 HE3 LYS 20 2HE LYS 20 -2.378 -0.685 -10.815 128 HZ1 LYS 20 3HZ LYS 20 -1.409 2.012 -10.322 129 HZ2 LYS 20 1HZ LYS 20 -3.081 1.789 -10.186 130 HZ3 LYS 20 2HZ LYS 20 -2.290 1.399 -11.629 131 H VAL 21 H VAL 21 -7.529 -2.899 -8.088 132 HA VAL 21 HA VAL 21 -8.446 -3.193 -5.321 133 HB VAL 21 HB VAL 21 -9.270 -4.722 -7.793 134 HG11 VAL 21 1HG1 VAL 21 -11.249 -5.100 -5.984 135 HG12 VAL 21 2HG1 VAL 21 -9.917 -6.228 -6.250 136 HG13 VAL 21 3HG1 VAL 21 -9.836 -5.062 -4.929 137 HG21 VAL 21 3HG2 VAL 21 -9.916 -2.133 -7.111 138 HG22 VAL 21 1HG2 VAL 21 -10.843 -3.184 -8.181 139 HG23 VAL 21 2HG2 VAL 21 -11.270 -3.067 -6.474 140 H PHE 22 H PHE 22 -8.043 -5.027 -4.100 141 HA PHE 22 HA PHE 22 -6.149 -6.980 -5.204 142 HB2 PHE 22 1HB PHE 22 -5.864 -5.733 -2.464 143 HB3 PHE 22 2HB PHE 22 -4.774 -6.893 -3.216 144 HD1 PHE 22 HD2 PHE 22 -6.146 -3.465 -3.623 145 HD2 PHE 22 HD1 PHE 22 -2.956 -6.158 -4.454 146 HE1 PHE 22 HE2 PHE 22 -4.830 -1.611 -4.563 147 HE2 PHE 22 HE1 PHE 22 -1.635 -4.308 -5.394 148 HZ PHE 22 HZ PHE 22 -2.572 -2.031 -5.451 149 H THR 23 H THR 23 -7.070 -8.906 -5.063 150 HA THR 23 HA THR 23 -9.346 -9.682 -3.867 151 HB THR 23 HB THR 23 -6.861 -11.403 -3.975 152 HG1 THR 23 HG1 THR 23 -8.961 -11.077 -5.878 153 HG21 THR 23 3HG2 THR 23 -9.130 -12.948 -4.448 154 HG22 THR 23 1HG2 THR 23 -9.568 -11.915 -3.088 155 HG23 THR 23 2HG2 THR 23 -8.140 -12.945 -2.989 156 H GLN 24 H GLN 24 -6.199 -9.475 -2.278 157 HA GLN 24 HA GLN 24 -7.523 -10.030 0.293 158 HB2 GLN 24 1HB GLN 24 -4.725 -10.523 -0.676 159 HB3 GLN 24 2HB GLN 24 -5.065 -10.394 1.044 160 HG2 GLN 24 1HG GLN 24 -6.711 -12.250 -0.592 161 HG3 GLN 24 2HG GLN 24 -5.059 -12.713 -0.189 162 HE21 GLN 24 1HE2 GLN 24 -8.188 -11.852 1.124 163 HE22 GLN 24 2HE2 GLN 24 -7.956 -12.586 2.670 164 H ASN 25 H ASN 25 -7.608 -8.470 1.783 165 HA ASN 25 HA ASN 25 -7.028 -5.817 1.227 166 HB2 ASN 25 1HB ASN 25 -8.580 -6.567 3.003 167 HB3 ASN 25 2HB ASN 25 -7.203 -7.104 3.962 168 HD21 ASN 25 1HD2 ASN 25 -8.376 -4.221 2.261 169 HD22 ASN 25 2HD2 ASN 25 -7.868 -3.094 3.468 170 H SER 26 H SER 26 -5.090 -8.223 2.948 171 HA SER 26 HA SER 26 -3.064 -6.620 3.927 172 HB2 SER 26 1HB SER 26 -1.620 -8.646 3.776 173 HB3 SER 26 2HB SER 26 -3.197 -8.976 4.494 174 HG SER 26 HG SER 26 -2.320 -10.425 2.736 175 H HIS 27 H HIS 27 -3.537 -7.866 0.673 176 HA HIS 27 HA HIS 27 -0.999 -7.073 -0.333 177 HB2 HIS 27 1HB HIS 27 -3.609 -7.805 -1.647 178 HB3 HIS 27 2HB HIS 27 -2.210 -7.295 -2.587 179 HD2 HIS 27 HD2 HIS 27 -1.294 -9.543 0.384 180 HE1 HIS 27 HE1 HIS 27 -1.354 -11.991 -3.080 181 HE2 HIS 27 HE2 HIS 27 -0.806 -11.874 -0.625 182 H LEU 28 H LEU 28 -4.020 -5.442 0.164 183 HA LEU 28 HA LEU 28 -3.365 -3.215 -1.555 184 HB2 LEU 28 1HB LEU 28 -5.669 -3.766 -1.362 185 HB3 LEU 28 2HB LEU 28 -5.593 -3.734 0.398 186 HG LEU 28 HG LEU 28 -5.396 -1.337 0.401 187 HD11 LEU 28 1HD1 LEU 28 -5.214 0.003 -1.523 188 HD12 LEU 28 2HD1 LEU 28 -5.578 -1.346 -2.598 189 HD13 LEU 28 3HD1 LEU 28 -4.037 -1.293 -1.742 190 HD21 LEU 28 3HD2 LEU 28 -7.595 -2.577 -1.183 191 HD22 LEU 28 1HD2 LEU 28 -7.530 -0.821 -1.035 192 HD23 LEU 28 2HD2 LEU 28 -7.637 -1.824 0.412 193 H ALA 29 H ALA 29 -3.747 -3.699 1.953 194 HA ALA 29 HA ALA 29 -3.062 -1.176 2.834 195 HB1 ALA 29 3HB ALA 29 -2.146 -3.650 4.266 196 HB2 ALA 29 1HB ALA 29 -2.685 -2.114 4.946 197 HB3 ALA 29 2HB ALA 29 -3.849 -3.198 4.182 198 H ARG 30 H ARG 30 -0.878 -3.918 2.211 199 HA ARG 30 HA ARG 30 1.505 -2.617 2.906 200 HB2 ARG 30 1HB ARG 30 2.643 -4.409 1.829 201 HB3 ARG 30 2HB ARG 30 1.182 -5.090 2.532 202 HG2 ARG 30 1HG ARG 30 0.147 -4.729 0.205 203 HG3 ARG 30 2HG ARG 30 1.817 -4.565 -0.343 204 HD2 ARG 30 1HD ARG 30 0.651 -6.931 1.122 205 HD3 ARG 30 2HD ARG 30 1.020 -6.858 -0.601 206 HE ARG 30 HE ARG 30 3.388 -6.271 0.583 207 HH11 ARG 30 1HH1 ARG 30 1.103 -8.877 0.913 208 HH12 ARG 30 2HH1 ARG 30 2.304 -10.049 1.342 209 HH21 ARG 30 1HH2 ARG 30 4.978 -7.806 1.147 210 HH22 ARG 30 2HH2 ARG 30 4.508 -9.439 1.476 211 H HIS 31 H HIS 31 -0.354 -2.645 -0.065 212 HA HIS 31 HA HIS 31 1.643 -1.450 -1.703 213 HB2 HIS 31 1HB HIS 31 0.070 -2.456 -3.030 214 HB3 HIS 31 2HB HIS 31 -1.259 -2.047 -1.950 215 HD1 HIS 31 HD1 HIS 31 0.893 -0.517 -4.648 216 HD2 HIS 31 HD2 HIS 31 -2.662 0.216 -2.627 217 HE1 HIS 31 HE1 HIS 31 -0.184 1.407 -5.857 218 H ARG 32 H ARG 32 -1.241 -0.150 -0.070 219 HA ARG 32 HA ARG 32 -1.284 2.432 -0.807 220 HB2 ARG 32 1HB ARG 32 -1.498 1.386 2.021 221 HB3 ARG 32 2HB ARG 32 -1.972 3.007 1.528 222 HG2 ARG 32 1HG ARG 32 -3.649 2.074 0.028 223 HG3 ARG 32 2HG ARG 32 -3.164 0.442 0.495 224 HD2 ARG 32 1HD ARG 32 -5.120 1.012 1.741 225 HD3 ARG 32 2HD ARG 32 -3.748 1.024 2.849 226 HE ARG 32 HE ARG 32 -5.343 3.291 2.018 227 HH11 ARG 32 1HH1 ARG 32 -2.391 2.185 3.495 228 HH12 ARG 32 2HH1 ARG 32 -2.097 3.675 4.330 229 HH21 ARG 32 1HH2 ARG 32 -4.968 5.257 3.112 230 HH22 ARG 32 2HH2 ARG 32 -3.564 5.421 4.112 231 H GLY 33 H GLY 33 1.253 0.896 0.994 232 HA2 GLY 33 1HA GLY 33 2.501 3.056 2.210 233 HA3 GLY 33 2HA GLY 33 3.338 1.633 1.609 234 H ILE 34 H ILE 34 2.911 1.866 -1.111 235 HA ILE 34 HA ILE 34 4.956 3.584 -1.897 236 HB ILE 34 HB ILE 34 4.317 3.152 -4.175 237 HG12 ILE 34 1HG1 ILE 34 1.830 1.708 -3.382 238 HG13 ILE 34 2HG1 ILE 34 1.773 3.466 -3.461 239 HG21 ILE 34 1HG2 ILE 34 3.697 0.540 -3.747 240 HG22 ILE 34 2HG2 ILE 34 5.321 1.217 -3.647 241 HG23 ILE 34 3HG2 ILE 34 4.364 1.004 -2.182 242 HD11 ILE 34 3HD1 ILE 34 3.005 2.769 -5.818 243 HD12 ILE 34 1HD1 ILE 34 1.797 1.504 -5.594 244 HD13 ILE 34 2HD1 ILE 34 1.307 3.199 -5.614 245 H HIS 35 H HIS 35 1.713 4.290 -1.140 246 HA HIS 35 HA HIS 35 1.668 6.758 -2.693 247 HB2 HIS 35 1HB HIS 35 -0.380 5.392 -0.947 248 HB3 HIS 35 2HB HIS 35 -0.633 6.992 -1.640 249 HD1 HIS 35 HD1 HIS 35 0.229 6.688 -4.476 250 HD2 HIS 35 HD2 HIS 35 -1.842 3.703 -2.460 251 HE1 HIS 35 HE1 HIS 35 -0.850 5.290 -6.267 252 H THR 36 H THR 36 0.932 5.955 0.706 253 HA THR 36 HA THR 36 1.161 8.527 1.720 254 HB THR 36 HB THR 36 1.653 7.413 3.929 255 HG1 THR 36 HG1 THR 36 1.321 5.010 2.438 256 HG21 THR 36 3HG2 THR 36 -0.635 7.843 3.255 257 HG22 THR 36 1HG2 THR 36 -0.542 6.276 4.058 258 HG23 THR 36 2HG2 THR 36 -0.662 6.361 2.300 259 H GLY 37 H GLY 37 2.939 8.787 3.665 260 HA2 GLY 37 1HA GLY 37 5.237 8.798 4.220 261 HA3 GLY 37 2HA GLY 37 5.603 8.193 2.611 262 H GLU 38 H GLU 38 4.207 10.052 1.066 263 HA GLU 38 HA GLU 38 6.025 12.292 1.248 264 HB2 GLU 38 1HB GLU 38 3.944 11.445 -0.754 265 HB3 GLU 38 2HB GLU 38 4.730 13.014 -0.855 266 HG2 GLU 38 1HG GLU 38 6.199 10.390 -0.824 267 HG3 GLU 38 2HG GLU 38 5.744 11.259 -2.289 268 H LYS 39 H LYS 39 5.605 14.114 2.287 269 HA LYS 39 HA LYS 39 3.555 14.756 3.874 270 HB2 LYS 39 1HB LYS 39 5.110 16.609 2.072 271 HB3 LYS 39 2HB LYS 39 3.993 17.195 3.298 272 HG2 LYS 39 1HG LYS 39 5.314 16.027 5.020 273 HG3 LYS 39 2HG LYS 39 6.461 15.534 3.771 274 HD2 LYS 39 1HD LYS 39 7.467 17.430 4.635 275 HD3 LYS 39 2HD LYS 39 6.584 18.080 3.251 276 HE2 LYS 39 1HE LYS 39 4.821 18.867 4.668 277 HE3 LYS 39 2HE LYS 39 5.510 18.045 6.067 278 HZ1 LYS 39 3HZ LYS 39 7.539 19.624 5.214 279 HZ2 LYS 39 1HZ LYS 39 6.481 19.991 6.483 280 HZ3 LYS 39 2HZ LYS 39 6.182 20.595 4.932 281 HA PRO 40 HA PRO 40 -0.127 15.184 1.500 282 HB2 PRO 40 1HB PRO 40 -1.554 16.752 3.195 283 HB3 PRO 40 2HB PRO 40 -1.254 15.037 3.497 284 HG2 PRO 40 1HG PRO 40 0.151 17.431 4.616 285 HG3 PRO 40 2HG PRO 40 -0.369 15.952 5.443 286 HD2 PRO 40 1HD PRO 40 2.192 16.363 4.666 287 HD3 PRO 40 2HD PRO 40 1.454 14.749 4.706 288 H SER 41 H SER 41 -1.652 16.935 0.716 289 HA SER 41 HA SER 41 -0.108 19.363 0.078 290 HB2 SER 41 1HB SER 41 -0.586 17.829 -1.849 291 HB3 SER 41 2HB SER 41 -2.305 18.120 -1.590 292 HG SER 41 HG SER 41 -1.830 20.379 -1.908 293 H GLY 42 H GLY 42 -1.682 19.138 2.426 294 HA2 GLY 42 1HA GLY 42 -3.415 21.419 2.021 295 HA3 GLY 42 2HA GLY 42 -4.259 19.945 2.472 296 HA PRO 43 HA PRO 43 -3.118 22.150 6.371 297 HB2 PRO 43 1HB PRO 43 -5.516 21.735 7.573 298 HB3 PRO 43 2HB PRO 43 -5.203 23.105 6.501 299 HG2 PRO 43 1HG PRO 43 -6.573 20.511 5.908 300 HG3 PRO 43 2HG PRO 43 -7.029 22.154 5.420 301 HD2 PRO 43 1HD PRO 43 -5.764 20.436 3.752 302 HD3 PRO 43 2HD PRO 43 -5.514 22.193 3.683 303 H SER 44 H SER 44 -2.298 21.164 8.137 304 HA SER 44 HA SER 44 -2.102 18.345 8.222 305 HB2 SER 44 1HB SER 44 -0.533 20.205 9.209 306 HB3 SER 44 2HB SER 44 -1.553 20.033 10.638 307 HG SER 44 HG SER 44 0.440 18.630 10.337 308 H SER 45 H SER 45 -2.795 16.927 9.946 309 HA SER 45 HA SER 45 -5.519 17.552 10.792 310 HB2 SER 45 1HB SER 45 -3.954 15.046 10.383 311 HB3 SER 45 2HB SER 45 -5.269 15.013 11.557 312 HG SER 45 HG SER 45 -5.695 14.531 9.193 313 H GLY 46 H GLY 46 -6.181 16.707 12.992 314 HA2 GLY 46 1HA GLY 46 -4.028 17.125 14.966 315 HA3 GLY 46 2HA GLY 46 -5.566 17.962 15.117 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -34.797 17.951 -5.922 2 HA2 GLY 1 1HA GLY 1 -32.734 16.596 -4.480 3 HA3 GLY 1 2HA GLY 1 -33.544 16.016 -5.928 4 H SER 2 H SER 2 -32.744 16.661 -7.988 5 HA SER 2 HA SER 2 -31.085 16.986 -9.510 6 HB2 SER 2 1HB SER 2 -31.282 19.324 -8.701 7 HB3 SER 2 2HB SER 2 -30.044 18.988 -7.491 8 HG SER 2 HG SER 2 -28.889 18.236 -9.608 9 H SER 3 H SER 3 -30.741 14.814 -7.816 10 HA SER 3 HA SER 3 -27.835 14.566 -7.874 11 HB2 SER 3 1HB SER 3 -27.693 13.658 -5.631 12 HB3 SER 3 2HB SER 3 -28.444 15.252 -5.552 13 HG SER 3 HG SER 3 -30.493 14.109 -5.544 14 H GLY 4 H GLY 4 -27.255 12.182 -7.247 15 HA2 GLY 4 1HA GLY 4 -29.147 10.130 -7.625 16 HA3 GLY 4 2HA GLY 4 -28.404 10.504 -9.174 17 H SER 5 H SER 5 -28.185 8.615 -6.450 18 HA SER 5 HA SER 5 -25.293 8.350 -6.468 19 HB2 SER 5 1HB SER 5 -27.387 6.836 -4.890 20 HB3 SER 5 2HB SER 5 -25.644 6.736 -4.644 21 HG SER 5 HG SER 5 -26.030 9.228 -4.481 22 H SER 6 H SER 6 -24.333 7.133 -7.943 23 HA SER 6 HA SER 6 -25.203 4.441 -8.442 24 HB2 SER 6 1HB SER 6 -25.420 6.533 -10.610 25 HB3 SER 6 2HB SER 6 -25.327 4.806 -10.954 26 HG SER 6 HG SER 6 -27.442 6.277 -10.138 27 H GLY 7 H GLY 7 -23.580 3.155 -9.270 28 HA2 GLY 7 1HA GLY 7 -21.501 2.669 -10.234 29 HA3 GLY 7 2HA GLY 7 -21.154 4.391 -10.299 30 H THR 8 H THR 8 -22.053 2.271 -7.589 31 HA THR 8 HA THR 8 -20.097 3.477 -5.884 32 HB THR 8 HB THR 8 -21.710 0.963 -5.410 33 HG1 THR 8 HG1 THR 8 -23.109 2.423 -4.282 34 HG21 THR 8 3HG2 THR 8 -20.713 0.827 -3.422 35 HG22 THR 8 1HG2 THR 8 -21.087 2.514 -3.072 36 HG23 THR 8 2HG2 THR 8 -19.606 2.100 -3.935 37 H GLY 9 H GLY 9 -20.507 0.093 -6.963 38 HA2 GLY 9 1HA GLY 9 -18.511 -0.919 -8.063 39 HA3 GLY 9 2HA GLY 9 -17.570 -0.188 -6.770 40 H LYS 10 H LYS 10 -17.794 -3.000 -7.562 41 HA LYS 10 HA LYS 10 -18.610 -4.065 -4.948 42 HB2 LYS 10 1HB LYS 10 -19.367 -6.149 -6.225 43 HB3 LYS 10 2HB LYS 10 -20.419 -4.741 -6.289 44 HG2 LYS 10 1HG LYS 10 -18.393 -5.164 -8.437 45 HG3 LYS 10 2HG LYS 10 -19.898 -6.087 -8.451 46 HD2 LYS 10 1HD LYS 10 -20.065 -3.146 -8.045 47 HD3 LYS 10 2HD LYS 10 -19.682 -3.739 -9.663 48 HE2 LYS 10 1HE LYS 10 -22.003 -4.820 -8.096 49 HE3 LYS 10 2HE LYS 10 -22.149 -3.355 -9.066 50 HZ1 LYS 10 3HZ LYS 10 -21.224 -4.773 -10.946 51 HZ2 LYS 10 1HZ LYS 10 -22.821 -5.067 -10.472 52 HZ3 LYS 10 2HZ LYS 10 -21.586 -6.110 -9.975 53 H LYS 11 H LYS 11 -16.223 -3.749 -4.712 54 HA LYS 11 HA LYS 11 -14.787 -6.097 -5.765 55 HB2 LYS 11 1HB LYS 11 -13.970 -3.243 -5.571 56 HB3 LYS 11 2HB LYS 11 -12.742 -4.457 -5.240 57 HG2 LYS 11 1HG LYS 11 -12.423 -4.214 -7.471 58 HG3 LYS 11 2HG LYS 11 -13.658 -5.475 -7.504 59 HD2 LYS 11 1HD LYS 11 -14.578 -4.015 -8.997 60 HD3 LYS 11 2HD LYS 11 -15.275 -3.375 -7.507 61 HE2 LYS 11 1HE LYS 11 -12.649 -2.356 -8.519 62 HE3 LYS 11 2HE LYS 11 -14.160 -1.752 -9.196 63 HZ1 LYS 11 3HZ LYS 11 -13.100 -1.448 -6.469 64 HZ2 LYS 11 1HZ LYS 11 -14.771 -1.392 -6.724 65 HZ3 LYS 11 2HZ LYS 11 -13.761 -0.278 -7.498 66 HA PRO 12 HA PRO 12 -13.813 -7.286 -1.656 67 HB2 PRO 12 1HB PRO 12 -11.254 -8.164 -1.885 68 HB3 PRO 12 2HB PRO 12 -12.636 -9.049 -2.542 69 HG2 PRO 12 1HG PRO 12 -10.712 -7.232 -3.941 70 HG3 PRO 12 2HG PRO 12 -11.364 -8.794 -4.472 71 HD2 PRO 12 1HD PRO 12 -12.325 -6.430 -5.378 72 HD3 PRO 12 2HD PRO 12 -13.351 -7.865 -5.180 73 H TYR 13 H TYR 13 -11.031 -5.564 -3.090 74 HA TYR 13 HA TYR 13 -11.032 -3.681 -0.887 75 HB2 TYR 13 1HB TYR 13 -8.534 -5.284 -1.445 76 HB3 TYR 13 2HB TYR 13 -8.783 -4.101 -0.165 77 HD1 TYR 13 HD1 TYR 13 -10.442 -4.645 1.672 78 HD2 TYR 13 HD2 TYR 13 -9.059 -7.553 -1.109 79 HE1 TYR 13 HE1 TYR 13 -11.165 -6.436 3.195 80 HE2 TYR 13 HE2 TYR 13 -9.779 -9.352 0.405 81 HH TYR 13 HH TYR 13 -10.385 -9.790 2.586 82 H LYS 14 H LYS 14 -10.919 -1.788 -1.876 83 HA LYS 14 HA LYS 14 -9.127 -1.517 -4.202 84 HB2 LYS 14 1HB LYS 14 -11.406 -1.286 -4.937 85 HB3 LYS 14 2HB LYS 14 -11.765 -0.159 -3.635 86 HG2 LYS 14 1HG LYS 14 -10.004 1.355 -4.686 87 HG3 LYS 14 2HG LYS 14 -10.104 0.291 -6.091 88 HD2 LYS 14 1HD LYS 14 -12.586 0.705 -6.095 89 HD3 LYS 14 2HD LYS 14 -12.308 1.944 -4.869 90 HE2 LYS 14 1HE LYS 14 -10.954 3.220 -6.367 91 HE3 LYS 14 2HE LYS 14 -10.947 1.919 -7.557 92 HZ1 LYS 14 3HZ LYS 14 -12.785 4.018 -7.286 93 HZ2 LYS 14 1HZ LYS 14 -13.606 2.566 -7.004 94 HZ3 LYS 14 2HZ LYS 14 -12.758 2.790 -8.449 95 H CYS 15 H CYS 15 -7.743 0.202 -4.273 96 HA CYS 15 HA CYS 15 -7.151 1.493 -1.781 97 HB2 CYS 15 1HB CYS 15 -5.429 0.740 -3.462 98 HB3 CYS 15 2HB CYS 15 -5.945 2.073 -4.490 99 H ASN 16 H ASN 16 -8.017 3.313 -1.062 100 HA ASN 16 HA ASN 16 -9.711 4.917 -2.739 101 HB2 ASN 16 1HB ASN 16 -9.930 4.374 -0.185 102 HB3 ASN 16 2HB ASN 16 -8.853 5.754 0.010 103 HD21 ASN 16 1HD2 ASN 16 -11.964 4.706 -1.210 104 HD22 ASN 16 2HD2 ASN 16 -12.715 6.262 -1.173 105 H GLU 17 H GLU 17 -6.542 4.749 -2.773 106 HA GLU 17 HA GLU 17 -6.030 7.637 -2.766 107 HB2 GLU 17 1HB GLU 17 -4.059 5.353 -2.959 108 HB3 GLU 17 2HB GLU 17 -3.663 7.056 -2.782 109 HG2 GLU 17 1HG GLU 17 -5.038 5.297 -0.769 110 HG3 GLU 17 2HG GLU 17 -3.413 5.971 -0.666 111 H CYS 18 H CYS 18 -5.383 4.767 -4.777 112 HA CYS 18 HA CYS 18 -5.215 6.545 -7.117 113 HB2 CYS 18 1HB CYS 18 -4.048 4.580 -8.199 114 HB3 CYS 18 2HB CYS 18 -3.171 5.342 -6.876 115 H GLY 19 H GLY 19 -6.479 3.409 -6.022 116 HA2 GLY 19 1HA GLY 19 -8.904 3.098 -6.585 117 HA3 GLY 19 2HA GLY 19 -8.449 3.555 -8.221 118 H LYS 20 H LYS 20 -6.006 1.757 -6.811 119 HA LYS 20 HA LYS 20 -6.373 -0.428 -8.573 120 HB2 LYS 20 1HB LYS 20 -4.224 0.529 -7.356 121 HB3 LYS 20 2HB LYS 20 -4.643 -0.684 -6.153 122 HG2 LYS 20 1HG LYS 20 -4.296 -2.447 -7.629 123 HG3 LYS 20 2HG LYS 20 -4.413 -1.406 -9.049 124 HD2 LYS 20 1HD LYS 20 -2.231 -0.953 -7.058 125 HD3 LYS 20 2HD LYS 20 -2.082 -2.262 -8.233 126 HE2 LYS 20 1HE LYS 20 -2.820 0.491 -9.138 127 HE3 LYS 20 2HE LYS 20 -1.136 0.100 -8.790 128 HZ1 LYS 20 3HZ LYS 20 -0.973 -0.898 -10.744 129 HZ2 LYS 20 1HZ LYS 20 -2.556 -0.432 -11.116 130 HZ3 LYS 20 2HZ LYS 20 -2.265 -1.929 -10.386 131 H VAL 21 H VAL 21 -6.404 -2.735 -7.806 132 HA VAL 21 HA VAL 21 -8.053 -3.104 -5.404 133 HB VAL 21 HB VAL 21 -8.657 -4.420 -8.055 134 HG11 VAL 21 1HG1 VAL 21 -9.152 -5.672 -5.905 135 HG12 VAL 21 2HG1 VAL 21 -10.342 -4.414 -5.565 136 HG13 VAL 21 3HG1 VAL 21 -10.511 -5.425 -7.001 137 HG21 VAL 21 3HG2 VAL 21 -9.827 -2.610 -8.593 138 HG22 VAL 21 1HG2 VAL 21 -10.822 -2.851 -7.156 139 HG23 VAL 21 2HG2 VAL 21 -9.381 -1.837 -7.071 140 H PHE 22 H PHE 22 -7.781 -5.052 -4.342 141 HA PHE 22 HA PHE 22 -5.892 -6.978 -5.482 142 HB2 PHE 22 1HB PHE 22 -5.639 -5.993 -2.640 143 HB3 PHE 22 2HB PHE 22 -4.530 -7.041 -3.518 144 HD1 PHE 22 HD2 PHE 22 -5.919 -3.601 -3.471 145 HD2 PHE 22 HD1 PHE 22 -2.730 -6.144 -4.685 146 HE1 PHE 22 HE2 PHE 22 -4.618 -1.632 -4.166 147 HE2 PHE 22 HE1 PHE 22 -1.423 -4.179 -5.382 148 HZ PHE 22 HZ PHE 22 -2.368 -1.920 -5.124 149 H THR 23 H THR 23 -6.428 -9.047 -5.110 150 HA THR 23 HA THR 23 -8.932 -9.773 -4.160 151 HB THR 23 HB THR 23 -8.025 -12.106 -4.039 152 HG1 THR 23 HG1 THR 23 -5.911 -12.455 -4.239 153 HG21 THR 23 3HG2 THR 23 -8.035 -10.334 -6.360 154 HG22 THR 23 1HG2 THR 23 -8.723 -11.946 -6.165 155 HG23 THR 23 2HG2 THR 23 -7.017 -11.759 -6.574 156 H GLN 24 H GLN 24 -5.849 -9.580 -2.469 157 HA GLN 24 HA GLN 24 -7.236 -10.275 0.035 158 HB2 GLN 24 1HB GLN 24 -4.292 -10.470 -0.626 159 HB3 GLN 24 2HB GLN 24 -5.014 -10.870 0.927 160 HG2 GLN 24 1HG GLN 24 -6.198 -12.711 -0.010 161 HG3 GLN 24 2HG GLN 24 -5.748 -12.236 -1.647 162 HE21 GLN 24 1HE2 GLN 24 -4.442 -13.342 1.433 163 HE22 GLN 24 2HE2 GLN 24 -3.068 -14.150 0.768 164 H ASN 25 H ASN 25 -7.454 -8.744 1.530 165 HA ASN 25 HA ASN 25 -6.945 -6.079 1.139 166 HB2 ASN 25 1HB ASN 25 -7.301 -5.766 3.528 167 HB3 ASN 25 2HB ASN 25 -8.417 -6.982 2.913 168 HD21 ASN 25 1HD2 ASN 25 -8.280 -9.055 3.633 169 HD22 ASN 25 2HD2 ASN 25 -7.225 -9.557 4.906 170 H SER 26 H SER 26 -4.908 -8.399 2.899 171 HA SER 26 HA SER 26 -2.932 -6.816 3.876 172 HB2 SER 26 1HB SER 26 -2.686 -9.515 2.538 173 HB3 SER 26 2HB SER 26 -1.355 -8.742 3.398 174 HG SER 26 HG SER 26 -3.866 -9.103 4.628 175 H HIS 27 H HIS 27 -3.288 -7.885 0.525 176 HA HIS 27 HA HIS 27 -0.864 -6.843 -0.449 177 HB2 HIS 27 1HB HIS 27 -3.497 -7.413 -1.810 178 HB3 HIS 27 2HB HIS 27 -2.064 -6.880 -2.684 179 HD2 HIS 27 HD2 HIS 27 -2.396 -9.780 0.003 180 HE1 HIS 27 HE1 HIS 27 -0.565 -11.277 -3.519 181 HE2 HIS 27 HE2 HIS 27 -1.392 -11.835 -1.206 182 H LEU 28 H LEU 28 -4.070 -5.415 -0.089 183 HA LEU 28 HA LEU 28 -3.435 -2.981 -1.424 184 HB2 LEU 28 1HB LEU 28 -5.713 -3.553 -1.314 185 HB3 LEU 28 2HB LEU 28 -5.642 -3.826 0.426 186 HG LEU 28 HG LEU 28 -5.456 -1.436 0.818 187 HD11 LEU 28 1HD1 LEU 28 -4.351 -1.205 -1.592 188 HD12 LEU 28 2HD1 LEU 28 -5.140 0.144 -0.777 189 HD13 LEU 28 3HD1 LEU 28 -6.006 -0.767 -2.013 190 HD21 LEU 28 3HD2 LEU 28 -7.678 -2.072 0.864 191 HD22 LEU 28 1HD2 LEU 28 -7.713 -2.457 -0.857 192 HD23 LEU 28 2HD2 LEU 28 -7.689 -0.774 -0.330 193 H ALA 29 H ALA 29 -3.988 -3.674 2.034 194 HA ALA 29 HA ALA 29 -3.320 -1.286 3.149 195 HB1 ALA 29 3HB ALA 29 -3.654 -2.491 4.980 196 HB2 ALA 29 1HB ALA 29 -3.501 -3.981 4.047 197 HB3 ALA 29 2HB ALA 29 -2.071 -3.241 4.769 198 H ARG 30 H ARG 30 -1.018 -3.867 2.299 199 HA ARG 30 HA ARG 30 1.285 -2.399 3.066 200 HB2 ARG 30 1HB ARG 30 2.552 -4.161 2.097 201 HB3 ARG 30 2HB ARG 30 1.122 -4.906 2.800 202 HG2 ARG 30 1HG ARG 30 0.092 -5.068 0.618 203 HG3 ARG 30 2HG ARG 30 1.462 -4.231 -0.114 204 HD2 ARG 30 1HD ARG 30 2.941 -6.056 0.573 205 HD3 ARG 30 2HD ARG 30 1.572 -6.888 1.310 206 HE ARG 30 HE ARG 30 1.029 -6.351 -1.407 207 HH11 ARG 30 1HH1 ARG 30 2.968 -8.404 0.628 208 HH12 ARG 30 2HH1 ARG 30 3.041 -9.697 -0.523 209 HH21 ARG 30 1HH2 ARG 30 1.117 -8.046 -2.931 210 HH22 ARG 30 2HH2 ARG 30 1.988 -9.492 -2.547 211 H HIS 31 H HIS 31 -0.564 -2.637 0.110 212 HA HIS 31 HA HIS 31 1.339 -1.506 -1.643 213 HB2 HIS 31 1HB HIS 31 -0.350 -2.494 -2.838 214 HB3 HIS 31 2HB HIS 31 -1.597 -1.988 -1.702 215 HD1 HIS 31 HD1 HIS 31 0.200 -0.917 -4.779 216 HD2 HIS 31 HD2 HIS 31 -2.673 0.577 -2.176 217 HE1 HIS 31 HE1 HIS 31 -0.792 1.078 -5.945 218 H ARG 32 H ARG 32 -1.386 -0.051 0.125 219 HA ARG 32 HA ARG 32 -1.378 2.510 -0.690 220 HB2 ARG 32 1HB ARG 32 -1.428 1.614 2.197 221 HB3 ARG 32 2HB ARG 32 -1.964 3.185 1.615 222 HG2 ARG 32 1HG ARG 32 -3.851 2.319 0.611 223 HG3 ARG 32 2HG ARG 32 -3.168 0.697 0.491 224 HD2 ARG 32 1HD ARG 32 -4.605 0.364 2.228 225 HD3 ARG 32 2HD ARG 32 -3.184 0.890 3.129 226 HE ARG 32 HE ARG 32 -5.663 2.335 2.780 227 HH11 ARG 32 1HH1 ARG 32 -2.300 2.497 3.665 228 HH12 ARG 32 2HH1 ARG 32 -2.479 3.950 4.592 229 HH21 ARG 32 1HH2 ARG 32 -5.912 4.248 3.997 230 HH22 ARG 32 2HH2 ARG 32 -4.535 4.945 4.781 231 H GLY 33 H GLY 33 1.205 0.924 0.992 232 HA2 GLY 33 1HA GLY 33 2.600 3.075 2.068 233 HA3 GLY 33 2HA GLY 33 3.345 1.597 1.478 234 H ILE 34 H ILE 34 2.764 1.755 -1.224 235 HA ILE 34 HA ILE 34 4.843 3.206 -2.261 236 HB ILE 34 HB ILE 34 3.853 2.974 -4.441 237 HG12 ILE 34 1HG1 ILE 34 1.282 1.931 -3.342 238 HG13 ILE 34 2HG1 ILE 34 1.512 3.676 -3.396 239 HG21 ILE 34 1HG2 ILE 34 2.846 0.482 -3.937 240 HG22 ILE 34 2HG2 ILE 34 4.555 0.874 -4.118 241 HG23 ILE 34 3HG2 ILE 34 3.837 0.783 -2.510 242 HD11 ILE 34 3HD1 ILE 34 1.052 1.760 -5.566 243 HD12 ILE 34 1HD1 ILE 34 0.630 3.468 -5.442 244 HD13 ILE 34 2HD1 ILE 34 2.268 2.994 -5.895 245 H HIS 35 H HIS 35 1.726 4.356 -1.296 246 HA HIS 35 HA HIS 35 1.884 6.837 -2.748 247 HB2 HIS 35 1HB HIS 35 0.036 5.842 -0.578 248 HB3 HIS 35 2HB HIS 35 -0.096 7.449 -1.287 249 HD1 HIS 35 HD1 HIS 35 -0.112 7.175 -4.149 250 HD2 HIS 35 HD2 HIS 35 -1.709 4.172 -1.763 251 HE1 HIS 35 HE1 HIS 35 -1.673 5.888 -5.643 252 H THR 36 H THR 36 1.940 6.018 0.725 253 HA THR 36 HA THR 36 2.656 8.548 1.656 254 HB THR 36 HB THR 36 2.959 7.599 3.731 255 HG1 THR 36 HG1 THR 36 4.792 6.340 3.208 256 HG21 THR 36 3HG2 THR 36 0.835 6.735 2.432 257 HG22 THR 36 1HG2 THR 36 1.221 6.126 4.042 258 HG23 THR 36 2HG2 THR 36 1.632 5.173 2.616 259 H GLY 37 H GLY 37 4.795 5.721 1.198 260 HA2 GLY 37 1HA GLY 37 6.887 6.020 -0.022 261 HA3 GLY 37 2HA GLY 37 6.996 7.623 0.690 262 H GLU 38 H GLU 38 8.706 7.642 1.993 263 HA GLU 38 HA GLU 38 9.163 5.316 3.737 264 HB2 GLU 38 1HB GLU 38 10.998 7.351 2.525 265 HB3 GLU 38 2HB GLU 38 11.469 6.525 4.004 266 HG2 GLU 38 1HG GLU 38 11.644 4.479 2.971 267 HG3 GLU 38 2HG GLU 38 10.549 4.927 1.664 268 H LYS 39 H LYS 39 7.342 6.342 5.006 269 HA LYS 39 HA LYS 39 8.461 8.315 6.887 270 HB2 LYS 39 1HB LYS 39 6.622 9.201 5.403 271 HB3 LYS 39 2HB LYS 39 5.539 8.050 6.174 272 HG2 LYS 39 1HG LYS 39 6.053 9.111 8.358 273 HG3 LYS 39 2HG LYS 39 6.997 10.327 7.495 274 HD2 LYS 39 1HD LYS 39 5.086 11.169 6.391 275 HD3 LYS 39 2HD LYS 39 4.112 9.771 6.850 276 HE2 LYS 39 1HE LYS 39 4.115 10.453 9.151 277 HE3 LYS 39 2HE LYS 39 5.265 11.745 8.814 278 HZ1 LYS 39 3HZ LYS 39 3.080 12.667 8.982 279 HZ2 LYS 39 1HZ LYS 39 2.463 11.570 7.851 280 HZ3 LYS 39 2HZ LYS 39 3.564 12.757 7.364 281 HA PRO 40 HA PRO 40 7.763 5.251 9.980 282 HB2 PRO 40 1HB PRO 40 7.837 6.864 12.162 283 HB3 PRO 40 2HB PRO 40 9.283 6.413 11.251 284 HG2 PRO 40 1HG PRO 40 7.669 8.931 11.116 285 HG3 PRO 40 2HG PRO 40 9.431 8.730 11.124 286 HD2 PRO 40 1HD PRO 40 8.026 9.183 8.854 287 HD3 PRO 40 2HD PRO 40 9.507 8.204 8.881 288 H SER 41 H SER 41 6.350 4.986 12.010 289 HA SER 41 HA SER 41 3.645 5.923 11.340 290 HB2 SER 41 1HB SER 41 4.158 3.431 11.414 291 HB3 SER 41 2HB SER 41 4.345 3.614 13.158 292 HG SER 41 HG SER 41 2.107 4.750 12.731 293 H GLY 42 H GLY 42 2.268 6.733 12.939 294 HA2 GLY 42 1HA GLY 42 3.458 7.263 15.573 295 HA3 GLY 42 2HA GLY 42 2.876 8.619 14.618 296 HA PRO 43 HA PRO 43 -0.571 6.197 16.996 297 HB2 PRO 43 1HB PRO 43 -0.386 7.218 19.505 298 HB3 PRO 43 2HB PRO 43 0.434 5.732 19.009 299 HG2 PRO 43 1HG PRO 43 1.528 8.508 19.254 300 HG3 PRO 43 2HG PRO 43 2.255 6.970 19.755 301 HD2 PRO 43 1HD PRO 43 2.955 8.234 17.465 302 HD3 PRO 43 2HD PRO 43 2.966 6.465 17.621 303 H SER 44 H SER 44 -2.309 7.244 16.259 304 HA SER 44 HA SER 44 -2.560 10.127 16.786 305 HB2 SER 44 1HB SER 44 -2.620 9.543 14.414 306 HB3 SER 44 2HB SER 44 -3.934 8.404 14.709 307 HG SER 44 HG SER 44 -5.064 10.354 15.576 308 H SER 45 H SER 45 -4.670 7.266 16.464 309 HA SER 45 HA SER 45 -6.540 8.486 18.357 310 HB2 SER 45 1HB SER 45 -7.368 7.568 16.169 311 HB3 SER 45 2HB SER 45 -6.909 5.961 16.731 312 HG SER 45 HG SER 45 -8.715 5.906 17.780 313 H GLY 46 H GLY 46 -7.639 6.876 19.880 314 HA2 GLY 46 1HA GLY 46 -7.375 4.810 21.147 315 HA3 GLY 46 2HA GLY 46 -5.637 4.996 20.965 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -20.267 20.594 -5.989 2 HA2 GLY 1 1HA GLY 1 -21.808 19.849 -8.076 3 HA3 GLY 1 2HA GLY 1 -21.404 18.737 -6.776 4 H SER 2 H SER 2 -23.447 17.709 -7.270 5 HA SER 2 HA SER 2 -25.733 19.153 -6.095 6 HB2 SER 2 1HB SER 2 -25.965 18.717 -8.543 7 HB3 SER 2 2HB SER 2 -25.862 16.989 -8.208 8 HG SER 2 HG SER 2 -27.886 17.028 -7.682 9 H SER 3 H SER 3 -24.734 15.809 -6.842 10 HA SER 3 HA SER 3 -24.777 14.967 -4.139 11 HB2 SER 3 1HB SER 3 -27.225 15.238 -4.489 12 HB3 SER 3 2HB SER 3 -27.141 14.063 -5.801 13 HG SER 3 HG SER 3 -27.530 12.723 -4.210 14 H GLY 4 H GLY 4 -24.336 12.674 -3.903 15 HA2 GLY 4 1HA GLY 4 -22.591 11.720 -5.946 16 HA3 GLY 4 2HA GLY 4 -23.040 10.861 -4.480 17 H SER 5 H SER 5 -22.731 9.395 -6.703 18 HA SER 5 HA SER 5 -25.500 8.705 -7.425 19 HB2 SER 5 1HB SER 5 -23.940 9.809 -9.250 20 HB3 SER 5 2HB SER 5 -23.284 8.177 -9.364 21 HG SER 5 HG SER 5 -26.063 8.537 -9.414 22 H SER 6 H SER 6 -22.195 7.390 -7.726 23 HA SER 6 HA SER 6 -22.907 4.700 -7.681 24 HB2 SER 6 1HB SER 6 -20.682 5.414 -8.354 25 HB3 SER 6 2HB SER 6 -20.351 6.016 -6.730 26 HG SER 6 HG SER 6 -19.741 3.691 -7.555 27 H GLY 7 H GLY 7 -22.512 3.100 -5.972 28 HA2 GLY 7 1HA GLY 7 -22.418 3.949 -3.233 29 HA3 GLY 7 2HA GLY 7 -24.033 3.460 -3.724 30 H THR 8 H THR 8 -23.856 1.296 -5.138 31 HA THR 8 HA THR 8 -22.952 -0.688 -3.284 32 HB THR 8 HB THR 8 -23.988 -1.098 -6.095 33 HG1 THR 8 HG1 THR 8 -25.256 -0.553 -3.659 34 HG21 THR 8 3HG2 THR 8 -24.134 -3.324 -5.649 35 HG22 THR 8 1HG2 THR 8 -24.405 -3.073 -3.925 36 HG23 THR 8 2HG2 THR 8 -22.776 -2.947 -4.589 37 H GLY 9 H GLY 9 -20.951 -1.451 -3.145 38 HA2 GLY 9 1HA GLY 9 -19.259 -1.377 -5.565 39 HA3 GLY 9 2HA GLY 9 -18.644 -1.212 -3.927 40 H LYS 10 H LYS 10 -18.887 -3.284 -6.456 41 HA LYS 10 HA LYS 10 -19.119 -5.703 -4.827 42 HB2 LYS 10 1HB LYS 10 -20.306 -5.393 -7.074 43 HB3 LYS 10 2HB LYS 10 -18.722 -5.585 -7.813 44 HG2 LYS 10 1HG LYS 10 -19.580 -7.719 -7.917 45 HG3 LYS 10 2HG LYS 10 -18.616 -7.777 -6.440 46 HD2 LYS 10 1HD LYS 10 -20.577 -8.745 -5.726 47 HD3 LYS 10 2HD LYS 10 -20.864 -7.055 -5.305 48 HE2 LYS 10 1HE LYS 10 -21.683 -7.994 -8.006 49 HE3 LYS 10 2HE LYS 10 -22.655 -8.494 -6.623 50 HZ1 LYS 10 3HZ LYS 10 -23.608 -6.512 -6.610 51 HZ2 LYS 10 1HZ LYS 10 -22.700 -6.046 -7.959 52 HZ3 LYS 10 2HZ LYS 10 -22.112 -5.750 -6.401 53 H LYS 11 H LYS 11 -16.871 -4.222 -4.249 54 HA LYS 11 HA LYS 11 -14.734 -5.914 -5.368 55 HB2 LYS 11 1HB LYS 11 -14.513 -2.998 -4.595 56 HB3 LYS 11 2HB LYS 11 -13.190 -4.011 -5.158 57 HG2 LYS 11 1HG LYS 11 -15.605 -3.712 -6.872 58 HG3 LYS 11 2HG LYS 11 -14.435 -2.393 -6.791 59 HD2 LYS 11 1HD LYS 11 -12.650 -3.980 -7.412 60 HD3 LYS 11 2HD LYS 11 -13.862 -5.255 -7.561 61 HE2 LYS 11 1HE LYS 11 -13.322 -4.333 -9.743 62 HE3 LYS 11 2HE LYS 11 -14.991 -3.963 -9.313 63 HZ1 LYS 11 3HZ LYS 11 -12.687 -2.102 -9.089 64 HZ2 LYS 11 1HZ LYS 11 -14.280 -1.745 -8.646 65 HZ3 LYS 11 2HZ LYS 11 -13.900 -2.043 -10.267 66 HA PRO 12 HA PRO 12 -13.889 -7.031 -1.194 67 HB2 PRO 12 1HB PRO 12 -11.315 -7.844 -1.481 68 HB3 PRO 12 2HB PRO 12 -12.691 -8.787 -2.065 69 HG2 PRO 12 1HG PRO 12 -10.866 -6.961 -3.581 70 HG3 PRO 12 2HG PRO 12 -11.490 -8.556 -4.043 71 HD2 PRO 12 1HD PRO 12 -12.547 -6.249 -4.987 72 HD3 PRO 12 2HD PRO 12 -13.525 -7.706 -4.713 73 H TYR 13 H TYR 13 -11.271 -5.214 -2.800 74 HA TYR 13 HA TYR 13 -11.258 -3.234 -0.717 75 HB2 TYR 13 1HB TYR 13 -8.717 -4.821 -1.065 76 HB3 TYR 13 2HB TYR 13 -9.081 -3.610 0.159 77 HD1 TYR 13 HD1 TYR 13 -10.702 -4.153 1.980 78 HD2 TYR 13 HD2 TYR 13 -9.309 -7.100 -0.755 79 HE1 TYR 13 HE1 TYR 13 -11.452 -5.922 3.514 80 HE2 TYR 13 HE2 TYR 13 -10.057 -8.878 0.771 81 HH TYR 13 HH TYR 13 -10.458 -9.004 3.392 82 H LYS 14 H LYS 14 -11.209 -1.474 -1.945 83 HA LYS 14 HA LYS 14 -9.346 -1.396 -4.225 84 HB2 LYS 14 1HB LYS 14 -11.637 -1.150 -4.949 85 HB3 LYS 14 2HB LYS 14 -11.924 0.107 -3.753 86 HG2 LYS 14 1HG LYS 14 -9.997 1.341 -5.008 87 HG3 LYS 14 2HG LYS 14 -10.423 0.243 -6.323 88 HD2 LYS 14 1HD LYS 14 -12.640 1.076 -6.421 89 HD3 LYS 14 2HD LYS 14 -12.457 1.940 -4.892 90 HE2 LYS 14 1HE LYS 14 -12.226 3.647 -6.423 91 HE3 LYS 14 2HE LYS 14 -10.546 3.190 -6.146 92 HZ1 LYS 14 3HZ LYS 14 -10.559 1.912 -8.160 93 HZ2 LYS 14 1HZ LYS 14 -11.095 3.478 -8.511 94 HZ3 LYS 14 2HZ LYS 14 -12.207 2.207 -8.403 95 H CYS 15 H CYS 15 -7.951 0.317 -4.461 96 HA CYS 15 HA CYS 15 -7.340 1.781 -2.048 97 HB2 CYS 15 1HB CYS 15 -5.712 0.743 -3.843 98 HB3 CYS 15 2HB CYS 15 -5.950 2.290 -4.648 99 H ASN 16 H ASN 16 -8.275 3.642 -1.555 100 HA ASN 16 HA ASN 16 -9.717 5.174 -3.511 101 HB2 ASN 16 1HB ASN 16 -9.253 5.396 -0.557 102 HB3 ASN 16 2HB ASN 16 -9.913 6.769 -1.440 103 HD21 ASN 16 1HD2 ASN 16 -10.704 4.125 0.311 104 HD22 ASN 16 2HD2 ASN 16 -12.307 3.851 -0.273 105 H GLU 17 H GLU 17 -6.518 4.965 -2.836 106 HA GLU 17 HA GLU 17 -5.916 7.804 -3.070 107 HB2 GLU 17 1HB GLU 17 -4.093 5.403 -2.838 108 HB3 GLU 17 2HB GLU 17 -3.557 7.077 -2.861 109 HG2 GLU 17 1HG GLU 17 -4.330 7.504 -0.749 110 HG3 GLU 17 2HG GLU 17 -5.557 6.241 -0.825 111 H CYS 18 H CYS 18 -5.378 4.802 -4.888 112 HA CYS 18 HA CYS 18 -4.826 6.446 -7.271 113 HB2 CYS 18 1HB CYS 18 -3.459 4.611 -8.122 114 HB3 CYS 18 2HB CYS 18 -2.871 5.133 -6.547 115 H GLY 19 H GLY 19 -6.365 3.503 -6.053 116 HA2 GLY 19 1HA GLY 19 -8.623 3.004 -6.802 117 HA3 GLY 19 2HA GLY 19 -8.164 3.601 -8.390 118 H LYS 20 H LYS 20 -6.456 1.357 -6.238 119 HA LYS 20 HA LYS 20 -6.595 -0.650 -8.391 120 HB2 LYS 20 1HB LYS 20 -4.425 0.162 -6.526 121 HB3 LYS 20 2HB LYS 20 -4.530 -1.542 -6.947 122 HG2 LYS 20 1HG LYS 20 -4.109 -1.138 -9.201 123 HG3 LYS 20 2HG LYS 20 -4.518 0.574 -9.065 124 HD2 LYS 20 1HD LYS 20 -2.518 0.939 -7.698 125 HD3 LYS 20 2HD LYS 20 -2.110 -0.773 -7.840 126 HE2 LYS 20 1HE LYS 20 -0.792 0.330 -9.451 127 HE3 LYS 20 2HE LYS 20 -2.111 -0.418 -10.350 128 HZ1 LYS 20 3HZ LYS 20 -1.688 2.431 -9.721 129 HZ2 LYS 20 1HZ LYS 20 -3.241 1.853 -10.065 130 HZ3 LYS 20 2HZ LYS 20 -2.010 1.708 -11.216 131 H VAL 21 H VAL 21 -7.527 -2.554 -7.972 132 HA VAL 21 HA VAL 21 -8.513 -3.035 -5.261 133 HB VAL 21 HB VAL 21 -9.198 -4.553 -7.779 134 HG11 VAL 21 1HG1 VAL 21 -9.587 -5.531 -5.421 135 HG12 VAL 21 2HG1 VAL 21 -10.880 -4.335 -5.310 136 HG13 VAL 21 3HG1 VAL 21 -10.916 -5.558 -6.580 137 HG21 VAL 21 3HG2 VAL 21 -9.731 -1.977 -7.581 138 HG22 VAL 21 1HG2 VAL 21 -10.911 -3.109 -8.241 139 HG23 VAL 21 2HG2 VAL 21 -11.052 -2.563 -6.570 140 H PHE 22 H PHE 22 -8.035 -4.842 -4.075 141 HA PHE 22 HA PHE 22 -6.089 -6.728 -5.217 142 HB2 PHE 22 1HB PHE 22 -5.958 -5.583 -2.420 143 HB3 PHE 22 2HB PHE 22 -4.829 -6.730 -3.134 144 HD1 PHE 22 HD2 PHE 22 -6.054 -3.255 -3.274 145 HD2 PHE 22 HD1 PHE 22 -3.055 -6.007 -4.516 146 HE1 PHE 22 HE2 PHE 22 -4.683 -1.385 -4.094 147 HE2 PHE 22 HE1 PHE 22 -1.678 -4.141 -5.338 148 HZ PHE 22 HZ PHE 22 -2.492 -1.826 -5.129 149 H THR 23 H THR 23 -6.847 -8.725 -5.138 150 HA THR 23 HA THR 23 -9.197 -9.602 -4.102 151 HB THR 23 HB THR 23 -8.050 -11.097 -5.518 152 HG1 THR 23 HG1 THR 23 -7.611 -12.495 -3.129 153 HG21 THR 23 3HG2 THR 23 -5.857 -11.720 -5.379 154 HG22 THR 23 1HG2 THR 23 -5.840 -11.676 -3.617 155 HG23 THR 23 2HG2 THR 23 -5.757 -10.174 -4.537 156 H GLN 24 H GLN 24 -6.162 -9.226 -2.381 157 HA GLN 24 HA GLN 24 -7.561 -9.937 0.113 158 HB2 GLN 24 1HB GLN 24 -4.692 -10.444 -0.672 159 HB3 GLN 24 2HB GLN 24 -5.273 -10.572 0.983 160 HG2 GLN 24 1HG GLN 24 -7.014 -12.205 -0.011 161 HG3 GLN 24 2HG GLN 24 -5.902 -12.290 -1.376 162 HE21 GLN 24 1HE2 GLN 24 -4.812 -14.113 -1.245 163 HE22 GLN 24 2HE2 GLN 24 -4.073 -14.757 0.178 164 H ASN 25 H ASN 25 -7.643 -8.401 1.621 165 HA ASN 25 HA ASN 25 -6.951 -5.776 1.209 166 HB2 ASN 25 1HB ASN 25 -6.999 -5.625 3.786 167 HB3 ASN 25 2HB ASN 25 -8.457 -6.173 2.963 168 HD21 ASN 25 1HD2 ASN 25 -6.041 -6.921 5.229 169 HD22 ASN 25 2HD2 ASN 25 -6.556 -8.528 5.602 170 H SER 26 H SER 26 -5.083 -8.240 2.959 171 HA SER 26 HA SER 26 -2.993 -6.792 3.927 172 HB2 SER 26 1HB SER 26 -3.081 -9.153 4.336 173 HB3 SER 26 2HB SER 26 -2.947 -9.516 2.615 174 HG SER 26 HG SER 26 -0.909 -8.008 3.769 175 H HIS 27 H HIS 27 -3.364 -7.958 0.600 176 HA HIS 27 HA HIS 27 -0.888 -7.035 -0.365 177 HB2 HIS 27 1HB HIS 27 -3.491 -7.790 -1.635 178 HB3 HIS 27 2HB HIS 27 -2.255 -7.005 -2.614 179 HD2 HIS 27 HD2 HIS 27 -2.062 -10.089 -0.117 180 HE1 HIS 27 HE1 HIS 27 -0.003 -11.001 -3.713 181 HE2 HIS 27 HE2 HIS 27 -0.750 -11.863 -1.467 182 H LEU 28 H LEU 28 -4.009 -5.468 0.004 183 HA LEU 28 HA LEU 28 -3.282 -3.116 -1.461 184 HB2 LEU 28 1HB LEU 28 -5.584 -3.637 -1.367 185 HB3 LEU 28 2HB LEU 28 -5.551 -3.795 0.388 186 HG LEU 28 HG LEU 28 -5.160 -1.340 0.539 187 HD11 LEU 28 1HD1 LEU 28 -4.250 -1.217 -1.833 188 HD12 LEU 28 2HD1 LEU 28 -5.344 0.070 -1.327 189 HD13 LEU 28 3HD1 LEU 28 -5.933 -1.232 -2.361 190 HD21 LEU 28 3HD2 LEU 28 -7.425 -0.768 0.282 191 HD22 LEU 28 1HD2 LEU 28 -7.424 -2.496 0.636 192 HD23 LEU 28 2HD2 LEU 28 -7.660 -1.937 -1.020 193 H ALA 29 H ALA 29 -3.891 -3.701 2.007 194 HA ALA 29 HA ALA 29 -3.203 -1.303 3.078 195 HB1 ALA 29 3HB ALA 29 -2.446 -2.531 5.087 196 HB2 ALA 29 1HB ALA 29 -3.983 -3.120 4.453 197 HB3 ALA 29 2HB ALA 29 -2.499 -4.028 4.157 198 H ARG 30 H ARG 30 -0.937 -3.887 2.175 199 HA ARG 30 HA ARG 30 1.392 -2.471 2.972 200 HB2 ARG 30 1HB ARG 30 2.629 -4.206 1.830 201 HB3 ARG 30 2HB ARG 30 1.294 -4.935 2.713 202 HG2 ARG 30 1HG ARG 30 0.006 -5.075 0.632 203 HG3 ARG 30 2HG ARG 30 1.369 -4.376 -0.245 204 HD2 ARG 30 1HD ARG 30 1.493 -6.933 1.346 205 HD3 ARG 30 2HD ARG 30 1.230 -6.856 -0.395 206 HE ARG 30 HE ARG 30 3.551 -5.423 0.186 207 HH11 ARG 30 1HH1 ARG 30 2.382 -8.700 0.305 208 HH12 ARG 30 2HH1 ARG 30 3.945 -9.405 0.059 209 HH21 ARG 30 1HH2 ARG 30 5.615 -6.340 -0.139 210 HH22 ARG 30 2HH2 ARG 30 5.783 -8.062 -0.193 211 H HIS 31 H HIS 31 -0.397 -2.729 -0.044 212 HA HIS 31 HA HIS 31 1.509 -1.495 -1.717 213 HB2 HIS 31 1HB HIS 31 -0.099 -2.536 -2.977 214 HB3 HIS 31 2HB HIS 31 -1.401 -2.093 -1.877 215 HD1 HIS 31 HD1 HIS 31 0.685 -0.658 -4.675 216 HD2 HIS 31 HD2 HIS 31 -2.798 0.174 -2.568 217 HE1 HIS 31 HE1 HIS 31 -0.407 1.244 -5.906 218 H ARG 32 H ARG 32 -1.346 -0.167 -0.055 219 HA ARG 32 HA ARG 32 -1.404 2.400 -0.835 220 HB2 ARG 32 1HB ARG 32 -1.539 1.447 2.031 221 HB3 ARG 32 2HB ARG 32 -2.081 3.024 1.472 222 HG2 ARG 32 1HG ARG 32 -3.817 2.047 0.164 223 HG3 ARG 32 2HG ARG 32 -3.190 0.422 0.448 224 HD2 ARG 32 1HD ARG 32 -4.995 0.616 1.923 225 HD3 ARG 32 2HD ARG 32 -3.575 0.902 2.928 226 HE ARG 32 HE ARG 32 -5.628 2.815 2.219 227 HH11 ARG 32 1HH1 ARG 32 -2.422 2.306 3.477 228 HH12 ARG 32 2HH1 ARG 32 -2.358 3.834 4.292 229 HH21 ARG 32 1HH2 ARG 32 -5.556 4.828 3.287 230 HH22 ARG 32 2HH2 ARG 32 -4.142 5.267 4.184 231 H GLY 33 H GLY 33 1.163 0.904 0.962 232 HA2 GLY 33 1HA GLY 33 2.432 3.097 2.097 233 HA3 GLY 33 2HA GLY 33 3.257 1.654 1.529 234 H ILE 34 H ILE 34 2.802 1.799 -1.189 235 HA ILE 34 HA ILE 34 4.856 3.341 -2.131 236 HB ILE 34 HB ILE 34 3.971 3.082 -4.353 237 HG12 ILE 34 1HG1 ILE 34 1.399 1.932 -3.371 238 HG13 ILE 34 2HG1 ILE 34 1.561 3.684 -3.405 239 HG21 ILE 34 1HG2 ILE 34 4.694 0.993 -4.079 240 HG22 ILE 34 2HG2 ILE 34 4.045 0.905 -2.442 241 HG23 ILE 34 3HG2 ILE 34 3.008 0.544 -3.821 242 HD11 ILE 34 3HD1 ILE 34 2.221 3.460 -5.819 243 HD12 ILE 34 1HD1 ILE 34 1.734 1.769 -5.709 244 HD13 ILE 34 2HD1 ILE 34 0.550 3.047 -5.437 245 H HIS 35 H HIS 35 1.733 4.391 -1.173 246 HA HIS 35 HA HIS 35 1.875 6.899 -2.626 247 HB2 HIS 35 1HB HIS 35 -0.118 5.883 -0.590 248 HB3 HIS 35 2HB HIS 35 -0.264 7.405 -1.465 249 HD1 HIS 35 HD1 HIS 35 0.439 6.465 -4.297 250 HD2 HIS 35 HD2 HIS 35 -2.093 4.403 -1.729 251 HE1 HIS 35 HE1 HIS 35 -1.018 5.050 -5.781 252 H THR 36 H THR 36 2.148 5.749 0.706 253 HA THR 36 HA THR 36 2.607 8.388 1.762 254 HB THR 36 HB THR 36 3.323 6.991 3.837 255 HG1 THR 36 HG1 THR 36 3.540 5.000 2.708 256 HG21 THR 36 3HG2 THR 36 1.117 8.198 3.389 257 HG22 THR 36 1HG2 THR 36 1.085 6.886 4.566 258 HG23 THR 36 2HG2 THR 36 0.478 6.619 2.932 259 H GLY 37 H GLY 37 4.607 8.686 3.216 260 HA2 GLY 37 1HA GLY 37 6.971 7.851 1.655 261 HA3 GLY 37 2HA GLY 37 6.839 9.382 2.507 262 H GLU 38 H GLU 38 7.797 6.118 2.696 263 HA GLU 38 HA GLU 38 7.883 6.009 5.582 264 HB2 GLU 38 1HB GLU 38 7.537 4.025 3.989 265 HB3 GLU 38 2HB GLU 38 9.269 4.111 3.701 266 HG2 GLU 38 1HG GLU 38 8.807 2.444 5.366 267 HG3 GLU 38 2HG GLU 38 9.664 3.795 6.106 268 H LYS 39 H LYS 39 9.295 7.360 6.518 269 HA LYS 39 HA LYS 39 11.689 8.291 5.411 270 HB2 LYS 39 1HB LYS 39 10.763 8.079 8.275 271 HB3 LYS 39 2HB LYS 39 12.273 8.856 7.816 272 HG2 LYS 39 1HG LYS 39 10.825 10.301 6.267 273 HG3 LYS 39 2HG LYS 39 9.464 9.708 7.222 274 HD2 LYS 39 1HD LYS 39 11.891 10.976 8.470 275 HD3 LYS 39 2HD LYS 39 10.490 11.915 7.950 276 HE2 LYS 39 1HE LYS 39 9.110 10.316 9.389 277 HE3 LYS 39 2HE LYS 39 10.647 9.806 10.085 278 HZ1 LYS 39 3HZ LYS 39 10.695 12.551 10.157 279 HZ2 LYS 39 1HZ LYS 39 10.443 11.511 11.467 280 HZ3 LYS 39 2HZ LYS 39 9.121 12.143 10.623 281 HA PRO 40 HA PRO 40 14.580 5.025 5.919 282 HB2 PRO 40 1HB PRO 40 16.861 6.425 6.373 283 HB3 PRO 40 2HB PRO 40 16.082 6.345 4.788 284 HG2 PRO 40 1HG PRO 40 15.945 8.502 6.860 285 HG3 PRO 40 2HG PRO 40 16.128 8.649 5.102 286 HD2 PRO 40 1HD PRO 40 13.756 9.016 6.356 287 HD3 PRO 40 2HD PRO 40 13.876 8.346 4.716 288 H SER 41 H SER 41 14.555 3.735 7.649 289 HA SER 41 HA SER 41 14.189 4.281 10.259 290 HB2 SER 41 1HB SER 41 15.885 2.145 8.981 291 HB3 SER 41 2HB SER 41 15.662 2.217 10.729 292 HG SER 41 HG SER 41 13.286 2.464 9.536 293 H GLY 42 H GLY 42 15.504 4.572 12.117 294 HA2 GLY 42 1HA GLY 42 18.305 5.242 11.762 295 HA3 GLY 42 2HA GLY 42 17.266 6.598 12.175 296 HA PRO 43 HA PRO 43 17.548 5.652 16.440 297 HB2 PRO 43 1HB PRO 43 15.031 6.127 17.341 298 HB3 PRO 43 2HB PRO 43 16.132 7.417 16.843 299 HG2 PRO 43 1HG PRO 43 13.895 6.140 15.317 300 HG3 PRO 43 2HG PRO 43 14.332 7.855 15.438 301 HD2 PRO 43 1HD PRO 43 14.999 6.329 13.303 302 HD3 PRO 43 2HD PRO 43 16.016 7.666 13.876 303 H SER 44 H SER 44 16.998 4.157 18.099 304 HA SER 44 HA SER 44 16.159 1.602 17.099 305 HB2 SER 44 1HB SER 44 17.964 2.107 18.889 306 HB3 SER 44 2HB SER 44 16.607 2.221 20.010 307 HG SER 44 HG SER 44 17.716 0.012 18.793 308 H SER 45 H SER 45 14.411 0.343 17.852 309 HA SER 45 HA SER 45 12.447 1.289 19.650 310 HB2 SER 45 1HB SER 45 10.640 1.819 18.109 311 HB3 SER 45 2HB SER 45 12.016 2.872 17.780 312 HG SER 45 HG SER 45 11.799 0.462 16.373 313 H GLY 46 H GLY 46 10.688 -0.187 19.910 314 HA2 GLY 46 1HA GLY 46 9.507 -2.179 19.204 315 HA3 GLY 46 2HA GLY 46 10.988 -2.718 18.425 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -21.209 15.177 -29.942 2 HA2 GLY 1 1HA GLY 1 -19.273 13.332 -29.827 3 HA3 GLY 1 2HA GLY 1 -18.902 14.300 -28.408 4 H SER 2 H SER 2 -20.612 11.675 -29.552 5 HA SER 2 HA SER 2 -22.589 11.794 -27.384 6 HB2 SER 2 1HB SER 2 -22.422 10.137 -29.901 7 HB3 SER 2 2HB SER 2 -23.557 9.764 -28.604 8 HG SER 2 HG SER 2 -24.541 11.733 -28.918 9 H SER 3 H SER 3 -22.093 10.800 -25.558 10 HA SER 3 HA SER 3 -21.204 8.121 -25.431 11 HB2 SER 3 1HB SER 3 -18.974 8.425 -24.505 12 HB3 SER 3 2HB SER 3 -19.055 9.180 -26.097 13 HG SER 3 HG SER 3 -18.039 10.521 -24.530 14 H GLY 4 H GLY 4 -20.615 7.510 -23.112 15 HA2 GLY 4 1HA GLY 4 -20.727 8.337 -20.768 16 HA3 GLY 4 2HA GLY 4 -22.170 9.211 -21.261 17 H SER 5 H SER 5 -21.262 6.708 -19.484 18 HA SER 5 HA SER 5 -23.849 5.446 -19.645 19 HB2 SER 5 1HB SER 5 -23.021 3.184 -20.060 20 HB3 SER 5 2HB SER 5 -22.591 4.242 -21.404 21 HG SER 5 HG SER 5 -20.549 4.485 -19.986 22 H SER 6 H SER 6 -24.399 4.349 -17.780 23 HA SER 6 HA SER 6 -23.241 5.125 -15.393 24 HB2 SER 6 1HB SER 6 -25.019 2.793 -16.089 25 HB3 SER 6 2HB SER 6 -24.487 3.086 -14.433 26 HG SER 6 HG SER 6 -26.500 4.080 -14.877 27 H GLY 7 H GLY 7 -21.764 4.262 -13.984 28 HA2 GLY 7 1HA GLY 7 -19.980 2.237 -15.133 29 HA3 GLY 7 2HA GLY 7 -19.579 3.344 -13.828 30 H THR 8 H THR 8 -19.920 0.219 -14.417 31 HA THR 8 HA THR 8 -20.866 -0.344 -11.690 32 HB THR 8 HB THR 8 -21.551 -1.988 -14.135 33 HG1 THR 8 HG1 THR 8 -22.923 -0.260 -14.098 34 HG21 THR 8 3HG2 THR 8 -21.598 -3.634 -12.584 35 HG22 THR 8 1HG2 THR 8 -23.145 -2.907 -12.154 36 HG23 THR 8 2HG2 THR 8 -21.695 -2.503 -11.235 37 H GLY 9 H GLY 9 -19.815 -1.992 -10.606 38 HA2 GLY 9 1HA GLY 9 -18.145 -3.930 -11.719 39 HA3 GLY 9 2HA GLY 9 -17.145 -2.527 -11.373 40 H LYS 10 H LYS 10 -17.717 -5.393 -10.199 41 HA LYS 10 HA LYS 10 -17.912 -4.544 -7.388 42 HB2 LYS 10 1HB LYS 10 -18.716 -7.018 -8.842 43 HB3 LYS 10 2HB LYS 10 -18.194 -7.182 -7.171 44 HG2 LYS 10 1HG LYS 10 -20.427 -6.895 -6.856 45 HG3 LYS 10 2HG LYS 10 -19.904 -5.210 -6.802 46 HD2 LYS 10 1HD LYS 10 -20.607 -4.828 -9.034 47 HD3 LYS 10 2HD LYS 10 -20.826 -6.554 -9.334 48 HE2 LYS 10 1HE LYS 10 -22.748 -6.650 -7.983 49 HE3 LYS 10 2HE LYS 10 -22.402 -5.091 -7.236 50 HZ1 LYS 10 3HZ LYS 10 -23.140 -5.484 -10.085 51 HZ2 LYS 10 1HZ LYS 10 -22.879 -4.000 -9.316 52 HZ3 LYS 10 2HZ LYS 10 -24.197 -4.963 -8.871 53 H LYS 11 H LYS 11 -16.221 -4.792 -6.062 54 HA LYS 11 HA LYS 11 -14.087 -6.658 -6.745 55 HB2 LYS 11 1HB LYS 11 -12.339 -5.053 -6.678 56 HB3 LYS 11 2HB LYS 11 -13.557 -4.405 -7.768 57 HG2 LYS 11 1HG LYS 11 -13.670 -3.616 -4.907 58 HG3 LYS 11 2HG LYS 11 -12.414 -2.912 -5.927 59 HD2 LYS 11 1HD LYS 11 -13.931 -1.809 -7.266 60 HD3 LYS 11 2HD LYS 11 -15.235 -2.942 -6.900 61 HE2 LYS 11 1HE LYS 11 -15.083 -2.004 -4.506 62 HE3 LYS 11 2HE LYS 11 -14.178 -0.680 -5.238 63 HZ1 LYS 11 3HZ LYS 11 -16.006 0.017 -6.441 64 HZ2 LYS 11 1HZ LYS 11 -16.709 -0.457 -4.977 65 HZ3 LYS 11 2HZ LYS 11 -16.800 -1.473 -6.326 66 HA PRO 12 HA PRO 12 -13.963 -7.317 -2.405 67 HB2 PRO 12 1HB PRO 12 -11.376 -8.075 -2.078 68 HB3 PRO 12 2HB PRO 12 -12.590 -9.107 -2.843 69 HG2 PRO 12 1HG PRO 12 -10.510 -7.369 -4.113 70 HG3 PRO 12 2HG PRO 12 -11.006 -9.016 -4.543 71 HD2 PRO 12 1HD PRO 12 -11.869 -6.836 -5.896 72 HD3 PRO 12 2HD PRO 12 -12.866 -8.291 -5.695 73 H TYR 13 H TYR 13 -11.071 -5.589 -3.585 74 HA TYR 13 HA TYR 13 -11.503 -3.500 -1.618 75 HB2 TYR 13 1HB TYR 13 -8.847 -4.933 -1.672 76 HB3 TYR 13 2HB TYR 13 -9.372 -3.683 -0.550 77 HD1 TYR 13 HD1 TYR 13 -11.219 -4.230 1.089 78 HD2 TYR 13 HD2 TYR 13 -9.257 -7.210 -1.228 79 HE1 TYR 13 HE1 TYR 13 -12.018 -5.958 2.646 80 HE2 TYR 13 HE2 TYR 13 -10.051 -8.947 0.322 81 HH TYR 13 HH TYR 13 -12.424 -8.779 2.213 82 H LYS 14 H LYS 14 -11.020 -1.581 -2.464 83 HA LYS 14 HA LYS 14 -9.164 -1.486 -4.751 84 HB2 LYS 14 1HB LYS 14 -11.410 -1.192 -5.589 85 HB3 LYS 14 2HB LYS 14 -11.752 0.027 -4.367 86 HG2 LYS 14 1HG LYS 14 -9.804 1.329 -5.448 87 HG3 LYS 14 2HG LYS 14 -10.043 0.234 -6.812 88 HD2 LYS 14 1HD LYS 14 -12.553 0.933 -6.541 89 HD3 LYS 14 2HD LYS 14 -11.864 2.331 -5.713 90 HE2 LYS 14 1HE LYS 14 -12.061 3.011 -7.943 91 HE3 LYS 14 2HE LYS 14 -10.362 2.578 -7.766 92 HZ1 LYS 14 3HZ LYS 14 -11.168 0.287 -8.608 93 HZ2 LYS 14 1HZ LYS 14 -10.938 1.541 -9.720 94 HZ3 LYS 14 2HZ LYS 14 -12.499 1.149 -9.198 95 H CYS 15 H CYS 15 -7.833 0.325 -4.925 96 HA CYS 15 HA CYS 15 -7.328 1.679 -2.407 97 HB2 CYS 15 1HB CYS 15 -5.532 0.668 -3.931 98 HB3 CYS 15 2HB CYS 15 -5.798 2.060 -4.976 99 H ASN 16 H ASN 16 -8.206 3.572 -1.932 100 HA ASN 16 HA ASN 16 -9.550 5.142 -3.930 101 HB2 ASN 16 1HB ASN 16 -9.092 5.570 -0.973 102 HB3 ASN 16 2HB ASN 16 -10.020 6.674 -1.984 103 HD21 ASN 16 1HD2 ASN 16 -11.718 5.464 -3.359 104 HD22 ASN 16 2HD2 ASN 16 -12.687 4.327 -2.490 105 H GLU 17 H GLU 17 -6.427 4.812 -3.494 106 HA GLU 17 HA GLU 17 -5.734 7.658 -3.532 107 HB2 GLU 17 1HB GLU 17 -4.025 5.180 -3.288 108 HB3 GLU 17 2HB GLU 17 -3.376 6.810 -3.397 109 HG2 GLU 17 1HG GLU 17 -5.315 5.989 -1.260 110 HG3 GLU 17 2HG GLU 17 -3.571 5.807 -1.085 111 H CYS 18 H CYS 18 -5.059 4.688 -5.380 112 HA CYS 18 HA CYS 18 -4.481 6.372 -7.724 113 HB2 CYS 18 1HB CYS 18 -3.378 4.260 -8.611 114 HB3 CYS 18 2HB CYS 18 -2.580 5.036 -7.247 115 H GLY 19 H GLY 19 -6.146 3.410 -6.694 116 HA2 GLY 19 1HA GLY 19 -8.474 3.194 -7.510 117 HA3 GLY 19 2HA GLY 19 -7.863 3.678 -9.085 118 H LYS 20 H LYS 20 -6.038 1.525 -7.055 119 HA LYS 20 HA LYS 20 -6.324 -0.567 -9.064 120 HB2 LYS 20 1HB LYS 20 -4.431 -0.103 -6.776 121 HB3 LYS 20 2HB LYS 20 -4.534 -1.676 -7.557 122 HG2 LYS 20 1HG LYS 20 -3.821 -0.787 -9.637 123 HG3 LYS 20 2HG LYS 20 -3.986 0.872 -9.056 124 HD2 LYS 20 1HD LYS 20 -2.107 0.691 -7.668 125 HD3 LYS 20 2HD LYS 20 -2.116 -1.072 -7.737 126 HE2 LYS 20 1HE LYS 20 -0.367 -0.542 -9.151 127 HE3 LYS 20 2HE LYS 20 -1.712 -0.714 -10.278 128 HZ1 LYS 20 3HZ LYS 20 -1.668 1.935 -9.407 129 HZ2 LYS 20 1HZ LYS 20 -1.335 1.343 -10.957 130 HZ3 LYS 20 2HZ LYS 20 -0.082 1.528 -9.835 131 H VAL 21 H VAL 21 -6.143 -2.889 -7.949 132 HA VAL 21 HA VAL 21 -7.951 -3.095 -5.668 133 HB VAL 21 HB VAL 21 -8.504 -4.596 -8.229 134 HG11 VAL 21 1HG1 VAL 21 -9.110 -5.478 -5.832 135 HG12 VAL 21 2HG1 VAL 21 -10.432 -4.317 -5.974 136 HG13 VAL 21 3HG1 VAL 21 -10.262 -5.611 -7.160 137 HG21 VAL 21 3HG2 VAL 21 -10.652 -3.113 -8.069 138 HG22 VAL 21 1HG2 VAL 21 -9.597 -2.036 -7.154 139 HG23 VAL 21 2HG2 VAL 21 -9.186 -2.473 -8.812 140 H PHE 22 H PHE 22 -7.680 -4.938 -4.456 141 HA PHE 22 HA PHE 22 -5.752 -6.927 -5.432 142 HB2 PHE 22 1HB PHE 22 -5.697 -5.845 -2.614 143 HB3 PHE 22 2HB PHE 22 -4.522 -6.908 -3.383 144 HD1 PHE 22 HD2 PHE 22 -5.955 -3.487 -3.568 145 HD2 PHE 22 HD1 PHE 22 -2.648 -6.025 -4.431 146 HE1 PHE 22 HE2 PHE 22 -4.630 -1.526 -4.240 147 HE2 PHE 22 HE1 PHE 22 -1.318 -4.068 -5.104 148 HZ PHE 22 HZ PHE 22 -2.308 -1.815 -5.011 149 H THR 23 H THR 23 -6.489 -8.930 -5.229 150 HA THR 23 HA THR 23 -8.969 -9.677 -4.393 151 HB THR 23 HB THR 23 -6.514 -11.417 -4.105 152 HG1 THR 23 HG1 THR 23 -8.213 -11.304 -6.369 153 HG21 THR 23 3HG2 THR 23 -9.139 -11.939 -3.407 154 HG22 THR 23 1HG2 THR 23 -7.888 -13.141 -3.721 155 HG23 THR 23 2HG2 THR 23 -8.986 -12.653 -5.013 156 H GLN 24 H GLN 24 -6.055 -9.457 -2.407 157 HA GLN 24 HA GLN 24 -7.712 -9.967 -0.027 158 HB2 GLN 24 1HB GLN 24 -4.744 -10.351 -0.444 159 HB3 GLN 24 2HB GLN 24 -5.554 -10.525 1.107 160 HG2 GLN 24 1HG GLN 24 -6.310 -12.133 -1.313 161 HG3 GLN 24 2HG GLN 24 -5.082 -12.651 -0.159 162 HE21 GLN 24 1HE2 GLN 24 -6.030 -14.332 0.809 163 HE22 GLN 24 2HE2 GLN 24 -7.542 -14.273 1.642 164 H ASN 25 H ASN 25 -7.394 -8.661 1.828 165 HA ASN 25 HA ASN 25 -7.057 -5.913 1.274 166 HB2 ASN 25 1HB ASN 25 -8.517 -6.665 3.070 167 HB3 ASN 25 2HB ASN 25 -7.149 -7.377 3.920 168 HD21 ASN 25 1HD2 ASN 25 -5.667 -6.036 4.952 169 HD22 ASN 25 2HD2 ASN 25 -6.024 -4.385 5.312 170 H SER 26 H SER 26 -5.040 -8.192 3.123 171 HA SER 26 HA SER 26 -3.017 -6.595 3.971 172 HB2 SER 26 1HB SER 26 -2.632 -9.321 2.709 173 HB3 SER 26 2HB SER 26 -1.530 -8.532 3.837 174 HG SER 26 HG SER 26 -2.762 -9.877 5.057 175 H HIS 27 H HIS 27 -3.328 -7.982 0.719 176 HA HIS 27 HA HIS 27 -0.932 -7.042 -0.352 177 HB2 HIS 27 1HB HIS 27 -3.568 -7.848 -1.496 178 HB3 HIS 27 2HB HIS 27 -2.422 -7.022 -2.548 179 HD2 HIS 27 HD2 HIS 27 -1.832 -10.025 -0.019 180 HE1 HIS 27 HE1 HIS 27 -0.201 -10.986 -3.816 181 HE2 HIS 27 HE2 HIS 27 -0.616 -11.791 -1.466 182 H LEU 28 H LEU 28 -4.087 -5.475 -0.082 183 HA LEU 28 HA LEU 28 -3.332 -3.143 -1.545 184 HB2 LEU 28 1HB LEU 28 -5.635 -3.655 -1.462 185 HB3 LEU 28 2HB LEU 28 -5.617 -3.790 0.295 186 HG LEU 28 HG LEU 28 -5.290 -1.358 0.461 187 HD11 LEU 28 1HD1 LEU 28 -5.097 0.053 -1.326 188 HD12 LEU 28 2HD1 LEU 28 -5.932 -1.043 -2.427 189 HD13 LEU 28 3HD1 LEU 28 -4.262 -1.366 -1.960 190 HD21 LEU 28 3HD2 LEU 28 -7.620 -2.741 -0.370 191 HD22 LEU 28 1HD2 LEU 28 -7.612 -1.167 -1.166 192 HD23 LEU 28 2HD2 LEU 28 -7.502 -1.266 0.591 193 H ALA 29 H ALA 29 -3.737 -3.836 1.921 194 HA ALA 29 HA ALA 29 -3.146 -1.370 2.984 195 HB1 ALA 29 3HB ALA 29 -2.320 -2.596 4.977 196 HB2 ALA 29 1HB ALA 29 -3.872 -3.184 4.382 197 HB3 ALA 29 2HB ALA 29 -2.397 -4.090 4.045 198 H ARG 30 H ARG 30 -0.833 -3.945 2.148 199 HA ARG 30 HA ARG 30 1.477 -2.493 2.877 200 HB2 ARG 30 1HB ARG 30 2.713 -4.190 1.619 201 HB3 ARG 30 2HB ARG 30 1.478 -4.930 2.630 202 HG2 ARG 30 1HG ARG 30 0.011 -5.089 0.640 203 HG3 ARG 30 2HG ARG 30 1.344 -4.475 -0.341 204 HD2 ARG 30 1HD ARG 30 1.092 -6.969 -0.336 205 HD3 ARG 30 2HD ARG 30 2.683 -6.379 0.141 206 HE ARG 30 HE ARG 30 0.752 -7.746 1.813 207 HH11 ARG 30 1HH1 ARG 30 3.657 -5.833 1.661 208 HH12 ARG 30 2HH1 ARG 30 4.215 -6.321 3.227 209 HH21 ARG 30 1HH2 ARG 30 1.477 -8.396 3.876 210 HH22 ARG 30 2HH2 ARG 30 2.975 -7.779 4.486 211 H HIS 31 H HIS 31 -0.393 -2.683 -0.081 212 HA HIS 31 HA HIS 31 1.484 -1.439 -1.790 213 HB2 HIS 31 1HB HIS 31 -0.145 -2.447 -3.040 214 HB3 HIS 31 2HB HIS 31 -1.421 -2.054 -1.891 215 HD1 HIS 31 HD1 HIS 31 0.592 -0.474 -4.672 216 HD2 HIS 31 HD2 HIS 31 -2.897 0.173 -2.510 217 HE1 HIS 31 HE1 HIS 31 -0.569 1.437 -5.824 218 H ARG 32 H ARG 32 -1.371 -0.127 -0.106 219 HA ARG 32 HA ARG 32 -1.389 2.457 -0.842 220 HB2 ARG 32 1HB ARG 32 -1.587 1.472 2.011 221 HB3 ARG 32 2HB ARG 32 -2.136 3.043 1.442 222 HG2 ARG 32 1HG ARG 32 -3.850 2.071 0.130 223 HG3 ARG 32 2HG ARG 32 -3.188 0.450 0.350 224 HD2 ARG 32 1HD ARG 32 -5.098 0.691 1.779 225 HD3 ARG 32 2HD ARG 32 -3.649 0.655 2.783 226 HE ARG 32 HE ARG 32 -4.540 3.304 2.081 227 HH11 ARG 32 1HH1 ARG 32 -4.802 0.680 4.354 228 HH12 ARG 32 2HH1 ARG 32 -5.350 1.687 5.653 229 HH21 ARG 32 1HH2 ARG 32 -5.261 4.640 3.784 230 HH22 ARG 32 2HH2 ARG 32 -5.612 3.940 5.327 231 H GLY 33 H GLY 33 1.132 0.895 0.955 232 HA2 GLY 33 1HA GLY 33 2.391 3.060 2.168 233 HA3 GLY 33 2HA GLY 33 3.213 1.614 1.600 234 H ILE 34 H ILE 34 2.811 1.810 -1.129 235 HA ILE 34 HA ILE 34 4.910 3.357 -1.987 236 HB ILE 34 HB ILE 34 4.108 3.100 -4.238 237 HG12 ILE 34 1HG1 ILE 34 1.501 1.946 -3.363 238 HG13 ILE 34 2HG1 ILE 34 1.664 3.698 -3.375 239 HG21 ILE 34 1HG2 ILE 34 3.036 0.559 -3.406 240 HG22 ILE 34 2HG2 ILE 34 4.570 0.927 -4.191 241 HG23 ILE 34 3HG2 ILE 34 4.441 0.999 -2.434 242 HD11 ILE 34 3HD1 ILE 34 2.670 3.002 -5.817 243 HD12 ILE 34 1HD1 ILE 34 1.377 1.826 -5.584 244 HD13 ILE 34 2HD1 ILE 34 1.025 3.552 -5.500 245 H HIS 35 H HIS 35 1.687 4.357 -1.242 246 HA HIS 35 HA HIS 35 1.846 6.862 -2.659 247 HB2 HIS 35 1HB HIS 35 -0.132 5.748 -0.669 248 HB3 HIS 35 2HB HIS 35 -0.276 7.361 -1.362 249 HD1 HIS 35 HD1 HIS 35 0.152 6.992 -4.261 250 HD2 HIS 35 HD2 HIS 35 -1.883 4.177 -1.981 251 HE1 HIS 35 HE1 HIS 35 -1.266 5.704 -5.891 252 H THR 36 H THR 36 1.716 5.953 0.787 253 HA THR 36 HA THR 36 2.505 8.600 1.613 254 HB THR 36 HB THR 36 0.974 7.357 3.029 255 HG1 THR 36 HG1 THR 36 3.367 7.361 4.517 256 HG21 THR 36 3HG2 THR 36 3.010 5.450 3.987 257 HG22 THR 36 1HG2 THR 36 2.372 5.137 2.374 258 HG23 THR 36 2HG2 THR 36 1.276 5.234 3.752 259 H GLY 37 H GLY 37 4.550 8.803 0.569 260 HA2 GLY 37 1HA GLY 37 6.707 7.573 2.125 261 HA3 GLY 37 2HA GLY 37 6.735 7.368 0.380 262 H GLU 38 H GLU 38 5.969 9.814 -0.540 263 HA GLU 38 HA GLU 38 7.900 11.691 0.643 264 HB2 GLU 38 1HB GLU 38 7.649 10.818 -2.217 265 HB3 GLU 38 2HB GLU 38 8.276 12.414 -1.828 266 HG2 GLU 38 1HG GLU 38 9.902 11.152 -0.278 267 HG3 GLU 38 2HG GLU 38 9.444 9.732 -1.216 268 H LYS 39 H LYS 39 6.572 13.184 1.490 269 HA LYS 39 HA LYS 39 4.090 13.944 0.319 270 HB2 LYS 39 1HB LYS 39 4.238 15.829 2.033 271 HB3 LYS 39 2HB LYS 39 4.227 14.186 2.660 272 HG2 LYS 39 1HG LYS 39 6.538 14.245 3.132 273 HG3 LYS 39 2HG LYS 39 6.766 15.722 2.193 274 HD2 LYS 39 1HD LYS 39 5.015 16.683 3.912 275 HD3 LYS 39 2HD LYS 39 5.603 15.353 4.913 276 HE2 LYS 39 1HE LYS 39 7.916 16.178 4.557 277 HE3 LYS 39 2HE LYS 39 7.253 17.557 3.680 278 HZ1 LYS 39 3HZ LYS 39 7.719 17.457 6.351 279 HZ2 LYS 39 1HZ LYS 39 6.052 17.183 6.257 280 HZ3 LYS 39 2HZ LYS 39 6.720 18.577 5.570 281 HA PRO 40 HA PRO 40 5.470 16.923 -2.619 282 HB2 PRO 40 1HB PRO 40 3.179 18.358 -2.860 283 HB3 PRO 40 2HB PRO 40 3.379 16.744 -3.552 284 HG2 PRO 40 1HG PRO 40 2.030 17.560 -1.007 285 HG3 PRO 40 2HG PRO 40 1.501 16.388 -2.228 286 HD2 PRO 40 1HD PRO 40 2.678 15.642 0.094 287 HD3 PRO 40 2HD PRO 40 2.880 14.729 -1.415 288 H SER 41 H SER 41 5.669 19.279 -2.917 289 HA SER 41 HA SER 41 6.833 20.572 -0.796 290 HB2 SER 41 1HB SER 41 6.743 22.590 -2.095 291 HB3 SER 41 2HB SER 41 6.940 21.249 -3.223 292 HG SER 41 HG SER 41 4.425 21.433 -3.109 293 H GLY 42 H GLY 42 6.116 22.610 0.292 294 HA2 GLY 42 1HA GLY 42 3.278 22.985 0.668 295 HA3 GLY 42 2HA GLY 42 4.083 22.254 2.049 296 HA PRO 43 HA PRO 43 5.793 26.769 1.417 297 HB2 PRO 43 1HB PRO 43 4.099 28.420 0.084 298 HB3 PRO 43 2HB PRO 43 5.374 27.498 -0.721 299 HG2 PRO 43 1HG PRO 43 2.451 26.892 -0.496 300 HG3 PRO 43 2HG PRO 43 3.519 26.744 -1.904 301 HD2 PRO 43 1HD PRO 43 2.806 24.618 -0.386 302 HD3 PRO 43 2HD PRO 43 4.383 24.729 -1.195 303 H SER 44 H SER 44 5.203 26.564 3.653 304 HA SER 44 HA SER 44 2.679 27.897 4.374 305 HB2 SER 44 1HB SER 44 2.968 26.806 6.598 306 HB3 SER 44 2HB SER 44 2.816 25.649 5.275 307 HG SER 44 HG SER 44 4.971 26.194 6.920 308 H SER 45 H SER 45 6.098 27.646 5.316 309 HA SER 45 HA SER 45 5.938 30.012 6.958 310 HB2 SER 45 1HB SER 45 8.399 29.658 7.235 311 HB3 SER 45 2HB SER 45 7.434 28.245 7.662 312 HG SER 45 HG SER 45 7.957 27.985 5.122 313 H GLY 46 H GLY 46 5.412 31.732 5.642 314 HA2 GLY 46 1HA GLY 46 5.997 33.595 4.404 315 HA3 GLY 46 2HA GLY 46 7.592 32.894 4.175 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -41.402 14.355 -11.014 2 HA2 GLY 1 1HA GLY 1 -41.408 12.743 -8.707 3 HA3 GLY 1 2HA GLY 1 -41.292 12.158 -10.360 4 H SER 2 H SER 2 -39.913 10.533 -9.213 5 HA SER 2 HA SER 2 -37.156 11.172 -9.659 6 HB2 SER 2 1HB SER 2 -36.303 10.916 -7.457 7 HB3 SER 2 2HB SER 2 -37.650 12.045 -7.311 8 HG SER 2 HG SER 2 -37.775 9.254 -6.798 9 H SER 3 H SER 3 -36.194 9.412 -10.430 10 HA SER 3 HA SER 3 -36.893 6.775 -9.434 11 HB2 SER 3 1HB SER 3 -37.352 7.619 -12.299 12 HB3 SER 3 2HB SER 3 -37.223 5.931 -11.805 13 HG SER 3 HG SER 3 -39.327 6.246 -11.599 14 H GLY 4 H GLY 4 -35.240 5.325 -9.593 15 HA2 GLY 4 1HA GLY 4 -33.183 5.203 -11.405 16 HA3 GLY 4 2HA GLY 4 -32.643 6.369 -10.206 17 H SER 5 H SER 5 -32.283 5.679 -8.056 18 HA SER 5 HA SER 5 -31.509 4.254 -6.461 19 HB2 SER 5 1HB SER 5 -33.858 3.383 -6.641 20 HB3 SER 5 2HB SER 5 -33.266 2.174 -7.781 21 HG SER 5 HG SER 5 -33.405 1.687 -5.375 22 H SER 6 H SER 6 -29.894 4.585 -8.687 23 HA SER 6 HA SER 6 -28.959 1.993 -9.566 24 HB2 SER 6 1HB SER 6 -27.381 3.221 -10.928 25 HB3 SER 6 2HB SER 6 -28.960 3.993 -11.067 26 HG SER 6 HG SER 6 -27.774 5.697 -10.610 27 H GLY 7 H GLY 7 -26.739 1.287 -9.290 28 HA2 GLY 7 1HA GLY 7 -24.824 2.365 -7.636 29 HA3 GLY 7 2HA GLY 7 -25.905 1.489 -6.563 30 H THR 8 H THR 8 -23.310 1.265 -8.755 31 HA THR 8 HA THR 8 -23.178 -1.625 -8.295 32 HB THR 8 HB THR 8 -22.739 -0.376 -11.014 33 HG1 THR 8 HG1 THR 8 -24.724 -2.291 -10.471 34 HG21 THR 8 3HG2 THR 8 -22.954 -3.072 -11.374 35 HG22 THR 8 1HG2 THR 8 -22.087 -2.986 -9.841 36 HG23 THR 8 2HG2 THR 8 -21.431 -2.190 -11.272 37 H GLY 9 H GLY 9 -21.299 -2.029 -7.340 38 HA2 GLY 9 1HA GLY 9 -18.797 -1.745 -8.262 39 HA3 GLY 9 2HA GLY 9 -19.098 -0.152 -7.582 40 H LYS 10 H LYS 10 -19.450 -3.584 -6.683 41 HA LYS 10 HA LYS 10 -18.729 -2.858 -3.929 42 HB2 LYS 10 1HB LYS 10 -20.841 -4.066 -4.176 43 HB3 LYS 10 2HB LYS 10 -20.014 -5.370 -5.017 44 HG2 LYS 10 1HG LYS 10 -20.366 -6.103 -2.802 45 HG3 LYS 10 2HG LYS 10 -18.651 -5.708 -2.932 46 HD2 LYS 10 1HD LYS 10 -19.391 -4.804 -0.871 47 HD3 LYS 10 2HD LYS 10 -19.227 -3.440 -1.979 48 HE2 LYS 10 1HE LYS 10 -21.859 -4.828 -1.705 49 HE3 LYS 10 2HE LYS 10 -21.351 -3.667 -0.479 50 HZ1 LYS 10 3HZ LYS 10 -22.122 -2.095 -1.817 51 HZ2 LYS 10 1HZ LYS 10 -22.379 -3.188 -3.082 52 HZ3 LYS 10 2HZ LYS 10 -20.870 -2.447 -2.898 53 H LYS 11 H LYS 11 -16.478 -2.682 -4.373 54 HA LYS 11 HA LYS 11 -15.088 -5.110 -5.204 55 HB2 LYS 11 1HB LYS 11 -13.900 -2.420 -4.515 56 HB3 LYS 11 2HB LYS 11 -13.112 -3.742 -5.367 57 HG2 LYS 11 1HG LYS 11 -15.507 -2.246 -6.408 58 HG3 LYS 11 2HG LYS 11 -13.834 -1.876 -6.831 59 HD2 LYS 11 1HD LYS 11 -15.120 -4.569 -7.259 60 HD3 LYS 11 2HD LYS 11 -15.043 -3.308 -8.493 61 HE2 LYS 11 1HE LYS 11 -12.542 -3.313 -8.170 62 HE3 LYS 11 2HE LYS 11 -12.752 -4.760 -7.184 63 HZ1 LYS 11 3HZ LYS 11 -12.268 -5.528 -9.324 64 HZ2 LYS 11 1HZ LYS 11 -13.304 -4.419 -10.070 65 HZ3 LYS 11 2HZ LYS 11 -13.944 -5.711 -9.186 66 HA PRO 12 HA PRO 12 -13.954 -6.378 -1.155 67 HB2 PRO 12 1HB PRO 12 -11.534 -7.511 -1.638 68 HB3 PRO 12 2HB PRO 12 -13.059 -8.256 -2.131 69 HG2 PRO 12 1HG PRO 12 -11.124 -6.651 -3.755 70 HG3 PRO 12 2HG PRO 12 -11.981 -8.141 -4.188 71 HD2 PRO 12 1HD PRO 12 -12.793 -5.698 -5.026 72 HD3 PRO 12 2HD PRO 12 -13.930 -7.022 -4.698 73 H TYR 13 H TYR 13 -11.199 -4.934 -2.909 74 HA TYR 13 HA TYR 13 -10.774 -3.052 -0.749 75 HB2 TYR 13 1HB TYR 13 -8.502 -4.878 -1.535 76 HB3 TYR 13 2HB TYR 13 -8.533 -3.696 -0.231 77 HD1 TYR 13 HD1 TYR 13 -10.252 -4.114 1.666 78 HD2 TYR 13 HD2 TYR 13 -8.996 -7.106 -1.086 79 HE1 TYR 13 HE1 TYR 13 -10.986 -5.858 3.237 80 HE2 TYR 13 HE2 TYR 13 -9.728 -8.859 0.477 81 HH TYR 13 HH TYR 13 -10.645 -8.154 3.729 82 H LYS 14 H LYS 14 -10.659 -1.207 -1.834 83 HA LYS 14 HA LYS 14 -9.004 -1.114 -4.271 84 HB2 LYS 14 1HB LYS 14 -11.378 -0.840 -4.805 85 HB3 LYS 14 2HB LYS 14 -11.497 0.480 -3.650 86 HG2 LYS 14 1HG LYS 14 -9.890 1.771 -4.998 87 HG3 LYS 14 2HG LYS 14 -9.860 0.458 -6.177 88 HD2 LYS 14 1HD LYS 14 -12.223 0.758 -6.619 89 HD3 LYS 14 2HD LYS 14 -12.327 1.995 -5.365 90 HE2 LYS 14 1HE LYS 14 -10.564 3.260 -6.703 91 HE3 LYS 14 2HE LYS 14 -10.902 2.125 -8.009 92 HZ1 LYS 14 3HZ LYS 14 -12.810 3.145 -8.490 93 HZ2 LYS 14 1HZ LYS 14 -12.225 4.440 -7.571 94 HZ3 LYS 14 2HZ LYS 14 -13.263 3.305 -6.867 95 H CYS 15 H CYS 15 -7.646 0.641 -4.552 96 HA CYS 15 HA CYS 15 -6.946 2.049 -2.112 97 HB2 CYS 15 1HB CYS 15 -5.250 0.984 -3.667 98 HB3 CYS 15 2HB CYS 15 -5.609 2.273 -4.811 99 H ASN 16 H ASN 16 -7.943 3.884 -1.630 100 HA ASN 16 HA ASN 16 -9.410 5.428 -3.494 101 HB2 ASN 16 1HB ASN 16 -9.164 7.149 -1.459 102 HB3 ASN 16 2HB ASN 16 -10.260 5.772 -1.400 103 HD21 ASN 16 1HD2 ASN 16 -7.913 7.391 0.232 104 HD22 ASN 16 2HD2 ASN 16 -7.398 6.142 1.310 105 H GLU 17 H GLU 17 -6.101 5.294 -2.765 106 HA GLU 17 HA GLU 17 -5.476 8.028 -3.404 107 HB2 GLU 17 1HB GLU 17 -3.675 5.607 -3.203 108 HB3 GLU 17 2HB GLU 17 -3.133 7.275 -3.326 109 HG2 GLU 17 1HG GLU 17 -2.982 6.997 -1.082 110 HG3 GLU 17 2HG GLU 17 -4.648 7.562 -1.189 111 H CYS 18 H CYS 18 -5.037 4.898 -5.040 112 HA CYS 18 HA CYS 18 -4.671 6.364 -7.569 113 HB2 CYS 18 1HB CYS 18 -3.559 4.295 -8.392 114 HB3 CYS 18 2HB CYS 18 -2.725 5.035 -7.030 115 H GLY 19 H GLY 19 -6.217 3.532 -6.097 116 HA2 GLY 19 1HA GLY 19 -8.570 3.144 -6.623 117 HA3 GLY 19 2HA GLY 19 -8.211 3.628 -8.274 118 H LYS 20 H LYS 20 -5.817 1.698 -6.806 119 HA LYS 20 HA LYS 20 -6.362 -0.460 -8.637 120 HB2 LYS 20 1HB LYS 20 -4.061 0.518 -7.753 121 HB3 LYS 20 2HB LYS 20 -4.297 -0.686 -6.493 122 HG2 LYS 20 1HG LYS 20 -4.620 -2.362 -8.380 123 HG3 LYS 20 2HG LYS 20 -3.971 -1.113 -9.444 124 HD2 LYS 20 1HD LYS 20 -1.918 -1.041 -8.166 125 HD3 LYS 20 2HD LYS 20 -2.571 -2.189 -6.996 126 HE2 LYS 20 1HE LYS 20 -2.250 -2.820 -9.922 127 HE3 LYS 20 2HE LYS 20 -0.995 -3.141 -8.726 128 HZ1 LYS 20 3HZ LYS 20 -3.177 -4.253 -7.599 129 HZ2 LYS 20 1HZ LYS 20 -2.022 -5.096 -8.503 130 HZ3 LYS 20 2HZ LYS 20 -3.447 -4.562 -9.241 131 H VAL 21 H VAL 21 -7.076 -2.494 -8.169 132 HA VAL 21 HA VAL 21 -8.195 -2.877 -5.479 133 HB VAL 21 HB VAL 21 -8.887 -4.386 -8.001 134 HG11 VAL 21 1HG1 VAL 21 -9.311 -5.553 -5.855 135 HG12 VAL 21 2HG1 VAL 21 -10.354 -4.214 -5.372 136 HG13 VAL 21 3HG1 VAL 21 -10.781 -5.208 -6.765 137 HG21 VAL 21 3HG2 VAL 21 -10.736 -2.407 -6.770 138 HG22 VAL 21 1HG2 VAL 21 -9.410 -1.809 -7.768 139 HG23 VAL 21 2HG2 VAL 21 -10.591 -2.927 -8.449 140 H PHE 22 H PHE 22 -7.875 -4.793 -4.344 141 HA PHE 22 HA PHE 22 -5.861 -6.640 -5.425 142 HB2 PHE 22 1HB PHE 22 -5.876 -5.591 -2.589 143 HB3 PHE 22 2HB PHE 22 -4.709 -6.709 -3.286 144 HD1 PHE 22 HD2 PHE 22 -6.031 -3.255 -3.622 145 HD2 PHE 22 HD1 PHE 22 -2.773 -5.912 -4.286 146 HE1 PHE 22 HE2 PHE 22 -4.625 -1.354 -4.302 147 HE2 PHE 22 HE1 PHE 22 -1.360 -4.015 -4.966 148 HZ PHE 22 HZ PHE 22 -2.286 -1.733 -4.976 149 H THR 23 H THR 23 -6.521 -8.677 -5.354 150 HA THR 23 HA THR 23 -8.961 -9.574 -4.526 151 HB THR 23 HB THR 23 -7.963 -11.865 -4.405 152 HG1 THR 23 HG1 THR 23 -5.624 -10.325 -4.436 153 HG21 THR 23 3HG2 THR 23 -8.260 -11.868 -6.611 154 HG22 THR 23 1HG2 THR 23 -6.692 -11.095 -6.841 155 HG23 THR 23 2HG2 THR 23 -8.138 -10.109 -6.623 156 H GLN 24 H GLN 24 -6.099 -9.100 -2.578 157 HA GLN 24 HA GLN 24 -7.642 -9.922 -0.206 158 HB2 GLN 24 1HB GLN 24 -4.660 -10.185 -0.632 159 HB3 GLN 24 2HB GLN 24 -5.521 -10.596 0.845 160 HG2 GLN 24 1HG GLN 24 -6.272 -11.886 -1.741 161 HG3 GLN 24 2HG GLN 24 -4.878 -12.460 -0.827 162 HE21 GLN 24 1HE2 GLN 24 -8.065 -12.941 -1.347 163 HE22 GLN 24 2HE2 GLN 24 -8.499 -13.706 0.140 164 H ASN 25 H ASN 25 -7.260 -8.739 1.729 165 HA ASN 25 HA ASN 25 -6.971 -5.953 1.328 166 HB2 ASN 25 1HB ASN 25 -8.383 -6.552 3.104 167 HB3 ASN 25 2HB ASN 25 -7.218 -7.696 3.765 168 HD21 ASN 25 1HD2 ASN 25 -6.142 -7.054 5.479 169 HD22 ASN 25 2HD2 ASN 25 -5.878 -5.417 5.962 170 H SER 26 H SER 26 -4.914 -8.311 3.031 171 HA SER 26 HA SER 26 -2.885 -6.734 3.912 172 HB2 SER 26 1HB SER 26 -2.844 -9.094 4.359 173 HB3 SER 26 2HB SER 26 -2.703 -9.473 2.643 174 HG SER 26 HG SER 26 -0.654 -9.567 3.260 175 H HIS 27 H HIS 27 -3.357 -7.892 0.607 176 HA HIS 27 HA HIS 27 -0.939 -6.964 -0.475 177 HB2 HIS 27 1HB HIS 27 -3.644 -7.451 -1.721 178 HB3 HIS 27 2HB HIS 27 -2.234 -6.976 -2.664 179 HD2 HIS 27 HD2 HIS 27 -1.833 -9.630 0.172 180 HE1 HIS 27 HE1 HIS 27 -1.439 -11.578 -3.577 181 HE2 HIS 27 HE2 HIS 27 -1.329 -11.840 -1.074 182 H LEU 28 H LEU 28 -4.104 -5.403 -0.158 183 HA LEU 28 HA LEU 28 -3.339 -3.009 -1.494 184 HB2 LEU 28 1HB LEU 28 -5.637 -3.470 -1.444 185 HB3 LEU 28 2HB LEU 28 -5.626 -3.766 0.293 186 HG LEU 28 HG LEU 28 -5.306 -1.369 0.694 187 HD11 LEU 28 1HD1 LEU 28 -4.188 -0.442 -1.076 188 HD12 LEU 28 2HD1 LEU 28 -5.838 0.061 -1.440 189 HD13 LEU 28 3HD1 LEU 28 -5.133 -1.320 -2.278 190 HD21 LEU 28 3HD2 LEU 28 -7.559 -2.185 0.691 191 HD22 LEU 28 1HD2 LEU 28 -7.636 -2.109 -1.069 192 HD23 LEU 28 2HD2 LEU 28 -7.535 -0.622 -0.126 193 H ALA 29 H ALA 29 -3.954 -3.687 1.956 194 HA ALA 29 HA ALA 29 -3.275 -1.325 3.101 195 HB1 ALA 29 3HB ALA 29 -3.180 -4.120 3.950 196 HB2 ALA 29 1HB ALA 29 -2.080 -3.063 4.835 197 HB3 ALA 29 2HB ALA 29 -3.805 -2.699 4.786 198 H ARG 30 H ARG 30 -0.968 -3.889 2.214 199 HA ARG 30 HA ARG 30 1.333 -2.424 2.992 200 HB2 ARG 30 1HB ARG 30 2.603 -4.168 1.979 201 HB3 ARG 30 2HB ARG 30 1.192 -4.922 2.709 202 HG2 ARG 30 1HG ARG 30 0.127 -5.140 0.573 203 HG3 ARG 30 2HG ARG 30 1.409 -4.211 -0.207 204 HD2 ARG 30 1HD ARG 30 1.998 -6.745 1.287 205 HD3 ARG 30 2HD ARG 30 1.472 -6.773 -0.396 206 HE ARG 30 HE ARG 30 3.539 -5.024 -0.415 207 HH11 ARG 30 1HH1 ARG 30 3.157 -8.281 0.754 208 HH12 ARG 30 2HH1 ARG 30 4.813 -8.712 0.482 209 HH21 ARG 30 1HH2 ARG 30 5.721 -5.580 -0.779 210 HH22 ARG 30 2HH2 ARG 30 6.271 -7.174 -0.390 211 H HIS 31 H HIS 31 -0.484 -2.687 0.006 212 HA HIS 31 HA HIS 31 1.409 -1.494 -1.711 213 HB2 HIS 31 1HB HIS 31 -0.238 -2.502 -2.941 214 HB3 HIS 31 2HB HIS 31 -1.509 -2.051 -1.809 215 HD1 HIS 31 HD1 HIS 31 0.276 -0.883 -4.856 216 HD2 HIS 31 HD2 HIS 31 -2.653 0.492 -2.249 217 HE1 HIS 31 HE1 HIS 31 -0.765 1.101 -5.999 218 H ARG 32 H ARG 32 -1.402 -0.103 -0.021 219 HA ARG 32 HA ARG 32 -1.400 2.465 -0.813 220 HB2 ARG 32 1HB ARG 32 -1.538 1.580 2.075 221 HB3 ARG 32 2HB ARG 32 -2.127 3.112 1.443 222 HG2 ARG 32 1HG ARG 32 -3.866 2.067 0.247 223 HG3 ARG 32 2HG ARG 32 -3.155 0.467 0.465 224 HD2 ARG 32 1HD ARG 32 -5.003 0.658 1.965 225 HD3 ARG 32 2HD ARG 32 -3.522 0.719 2.919 226 HE ARG 32 HE ARG 32 -4.056 2.855 3.546 227 HH11 ARG 32 1HH1 ARG 32 -5.998 1.951 0.802 228 HH12 ARG 32 2HH1 ARG 32 -6.998 3.364 0.879 229 HH21 ARG 32 1HH2 ARG 32 -5.365 4.720 3.657 230 HH22 ARG 32 2HH2 ARG 32 -6.636 4.939 2.503 231 H GLY 33 H GLY 33 1.134 0.906 0.969 232 HA2 GLY 33 1HA GLY 33 2.446 3.074 2.114 233 HA3 GLY 33 2HA GLY 33 3.238 1.609 1.556 234 H ILE 34 H ILE 34 2.781 1.763 -1.168 235 HA ILE 34 HA ILE 34 4.882 3.238 -2.112 236 HB ILE 34 HB ILE 34 3.987 3.008 -4.333 237 HG12 ILE 34 1HG1 ILE 34 1.378 1.944 -3.351 238 HG13 ILE 34 2HG1 ILE 34 1.600 3.691 -3.383 239 HG21 ILE 34 1HG2 ILE 34 4.833 0.984 -3.274 240 HG22 ILE 34 2HG2 ILE 34 3.228 0.636 -2.634 241 HG23 ILE 34 3HG2 ILE 34 3.507 0.608 -4.374 242 HD11 ILE 34 3HD1 ILE 34 2.500 2.772 -5.862 243 HD12 ILE 34 1HD1 ILE 34 1.012 1.887 -5.529 244 HD13 ILE 34 2HD1 ILE 34 1.012 3.651 -5.512 245 H HIS 35 H HIS 35 1.724 4.361 -1.265 246 HA HIS 35 HA HIS 35 1.951 6.862 -2.689 247 HB2 HIS 35 1HB HIS 35 -0.042 5.811 -0.680 248 HB3 HIS 35 2HB HIS 35 -0.133 7.434 -1.356 249 HD1 HIS 35 HD1 HIS 35 -0.205 7.409 -4.130 250 HD2 HIS 35 HD2 HIS 35 -1.420 3.984 -2.116 251 HE1 HIS 35 HE1 HIS 35 -1.579 6.107 -5.786 252 H THR 36 H THR 36 1.669 6.045 0.775 253 HA THR 36 HA THR 36 2.100 8.357 2.020 254 HB THR 36 HB THR 36 3.074 7.246 3.845 255 HG1 THR 36 HG1 THR 36 3.982 5.182 2.104 256 HG21 THR 36 3HG2 THR 36 1.768 4.953 2.398 257 HG22 THR 36 1HG2 THR 36 0.846 6.321 3.021 258 HG23 THR 36 2HG2 THR 36 1.766 5.301 4.127 259 H GLY 37 H GLY 37 4.675 6.491 0.443 260 HA2 GLY 37 1HA GLY 37 6.586 8.639 0.984 261 HA3 GLY 37 2HA GLY 37 6.965 7.057 0.318 262 H GLU 38 H GLU 38 6.739 6.690 -1.897 263 HA GLU 38 HA GLU 38 7.207 8.952 -3.544 264 HB2 GLU 38 1HB GLU 38 8.109 6.645 -3.946 265 HB3 GLU 38 2HB GLU 38 6.492 6.155 -4.432 266 HG2 GLU 38 1HG GLU 38 6.759 8.221 -6.065 267 HG3 GLU 38 2HG GLU 38 8.468 7.853 -5.842 268 H LYS 39 H LYS 39 5.621 10.383 -3.877 269 HA LYS 39 HA LYS 39 3.029 9.354 -4.830 270 HB2 LYS 39 1HB LYS 39 1.974 11.351 -3.815 271 HB3 LYS 39 2HB LYS 39 2.724 10.299 -2.622 272 HG2 LYS 39 1HG LYS 39 4.669 11.795 -2.547 273 HG3 LYS 39 2HG LYS 39 3.874 12.863 -3.706 274 HD2 LYS 39 1HD LYS 39 2.014 13.159 -2.108 275 HD3 LYS 39 2HD LYS 39 2.885 12.157 -0.943 276 HE2 LYS 39 1HE LYS 39 4.655 13.750 -0.789 277 HE3 LYS 39 2HE LYS 39 4.014 14.679 -2.144 278 HZ1 LYS 39 3HZ LYS 39 2.841 14.397 0.565 279 HZ2 LYS 39 1HZ LYS 39 2.003 15.074 -0.740 280 HZ3 LYS 39 2HZ LYS 39 3.416 15.808 -0.171 281 HA PRO 40 HA PRO 40 3.731 11.710 -8.480 282 HB2 PRO 40 1HB PRO 40 1.163 12.020 -9.305 283 HB3 PRO 40 2HB PRO 40 2.030 10.484 -9.421 284 HG2 PRO 40 1HG PRO 40 0.058 11.395 -7.361 285 HG3 PRO 40 2HG PRO 40 0.193 9.818 -8.161 286 HD2 PRO 40 1HD PRO 40 1.130 10.268 -5.660 287 HD3 PRO 40 2HD PRO 40 1.898 9.120 -6.776 288 H SER 41 H SER 41 2.495 12.969 -5.694 289 HA SER 41 HA SER 41 1.132 15.230 -6.072 290 HB2 SER 41 1HB SER 41 2.345 14.420 -3.949 291 HB3 SER 41 2HB SER 41 3.710 15.382 -4.517 292 HG SER 41 HG SER 41 1.133 16.505 -4.322 293 H GLY 42 H GLY 42 1.253 17.056 -7.218 294 HA2 GLY 42 1HA GLY 42 3.838 17.691 -8.504 295 HA3 GLY 42 2HA GLY 42 2.281 17.938 -9.280 296 HA PRO 43 HA PRO 43 3.655 21.950 -7.383 297 HB2 PRO 43 1HB PRO 43 3.168 23.443 -9.597 298 HB3 PRO 43 2HB PRO 43 4.703 22.611 -9.318 299 HG2 PRO 43 1HG PRO 43 2.379 21.782 -11.013 300 HG3 PRO 43 2HG PRO 43 4.113 21.696 -11.373 301 HD2 PRO 43 1HD PRO 43 2.687 19.545 -10.556 302 HD3 PRO 43 2HD PRO 43 4.400 19.766 -10.148 303 H SER 44 H SER 44 2.226 23.110 -6.256 304 HA SER 44 HA SER 44 -0.482 22.693 -6.207 305 HB2 SER 44 1HB SER 44 1.146 25.105 -5.419 306 HB3 SER 44 2HB SER 44 -0.596 25.034 -5.156 307 HG SER 44 HG SER 44 1.441 23.464 -4.009 308 H SER 45 H SER 45 -2.296 23.972 -6.885 309 HA SER 45 HA SER 45 -2.280 24.594 -9.617 310 HB2 SER 45 1HB SER 45 -4.551 25.203 -9.358 311 HB3 SER 45 2HB SER 45 -4.276 23.968 -8.130 312 HG SER 45 HG SER 45 -4.281 25.497 -6.572 313 H GLY 46 H GLY 46 -1.926 26.419 -10.744 314 HA2 GLY 46 1HA GLY 46 -1.297 28.849 -9.185 315 HA3 GLY 46 2HA GLY 46 -0.494 28.410 -10.685 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -30.706 14.190 -4.730 2 HA2 GLY 1 1HA GLY 1 -31.327 12.243 -3.686 3 HA3 GLY 1 2HA GLY 1 -32.479 12.029 -4.996 4 H SER 2 H SER 2 -29.837 10.715 -3.486 5 HA SER 2 HA SER 2 -29.365 8.922 -5.759 6 HB2 SER 2 1HB SER 2 -26.951 8.933 -5.346 7 HB3 SER 2 2HB SER 2 -27.517 10.562 -5.716 8 HG SER 2 HG SER 2 -27.399 11.074 -3.549 9 H SER 3 H SER 3 -28.254 6.892 -5.082 10 HA SER 3 HA SER 3 -29.070 6.140 -2.351 11 HB2 SER 3 1HB SER 3 -29.309 4.707 -4.966 12 HB3 SER 3 2HB SER 3 -29.091 3.757 -3.496 13 HG SER 3 HG SER 3 -30.944 5.650 -3.083 14 H GLY 4 H GLY 4 -27.568 5.307 -1.033 15 HA2 GLY 4 1HA GLY 4 -24.890 4.846 -2.167 16 HA3 GLY 4 2HA GLY 4 -25.224 5.278 -0.497 17 H SER 5 H SER 5 -26.767 2.777 -2.473 18 HA SER 5 HA SER 5 -26.091 0.824 -0.404 19 HB2 SER 5 1HB SER 5 -28.409 0.803 -0.930 20 HB3 SER 5 2HB SER 5 -28.092 0.819 -2.665 21 HG SER 5 HG SER 5 -27.832 -1.294 -0.826 22 H SER 6 H SER 6 -25.985 1.145 -3.947 23 HA SER 6 HA SER 6 -23.669 -0.665 -3.956 24 HB2 SER 6 1HB SER 6 -25.887 -0.738 -6.014 25 HB3 SER 6 2HB SER 6 -24.485 -1.804 -5.931 26 HG SER 6 HG SER 6 -25.587 -3.006 -4.625 27 H GLY 7 H GLY 7 -22.698 -0.611 -6.326 28 HA2 GLY 7 1HA GLY 7 -21.996 0.671 -8.165 29 HA3 GLY 7 2HA GLY 7 -22.862 2.051 -7.505 30 H THR 8 H THR 8 -21.733 1.957 -4.889 31 HA THR 8 HA THR 8 -19.590 3.642 -5.099 32 HB THR 8 HB THR 8 -20.726 3.308 -2.981 33 HG1 THR 8 HG1 THR 8 -18.864 3.288 -1.670 34 HG21 THR 8 3HG2 THR 8 -19.283 0.780 -2.403 35 HG22 THR 8 1HG2 THR 8 -20.695 0.683 -3.454 36 HG23 THR 8 2HG2 THR 8 -20.850 1.345 -1.827 37 H GLY 9 H GLY 9 -19.539 0.109 -4.997 38 HA2 GLY 9 1HA GLY 9 -17.372 -0.349 -6.560 39 HA3 GLY 9 2HA GLY 9 -16.654 -0.012 -4.991 40 H LYS 10 H LYS 10 -17.935 -2.384 -6.982 41 HA LYS 10 HA LYS 10 -18.892 -4.166 -4.943 42 HB2 LYS 10 1HB LYS 10 -19.130 -5.784 -6.726 43 HB3 LYS 10 2HB LYS 10 -19.730 -4.225 -7.275 44 HG2 LYS 10 1HG LYS 10 -17.624 -3.847 -8.472 45 HG3 LYS 10 2HG LYS 10 -17.052 -5.431 -7.943 46 HD2 LYS 10 1HD LYS 10 -19.623 -5.114 -9.462 47 HD3 LYS 10 2HD LYS 10 -18.070 -5.244 -10.291 48 HE2 LYS 10 1HE LYS 10 -19.022 -7.251 -8.261 49 HE3 LYS 10 2HE LYS 10 -19.357 -7.399 -9.985 50 HZ1 LYS 10 3HZ LYS 10 -16.703 -6.972 -9.955 51 HZ2 LYS 10 1HZ LYS 10 -17.428 -8.499 -10.023 52 HZ3 LYS 10 2HZ LYS 10 -16.908 -7.876 -8.539 53 H LYS 11 H LYS 11 -15.917 -3.803 -6.812 54 HA LYS 11 HA LYS 11 -14.500 -6.030 -6.369 55 HB2 LYS 11 1HB LYS 11 -13.557 -3.187 -5.987 56 HB3 LYS 11 2HB LYS 11 -12.467 -4.566 -6.029 57 HG2 LYS 11 1HG LYS 11 -14.360 -3.893 -8.265 58 HG3 LYS 11 2HG LYS 11 -12.700 -3.299 -8.179 59 HD2 LYS 11 1HD LYS 11 -11.935 -5.670 -8.050 60 HD3 LYS 11 2HD LYS 11 -13.604 -6.174 -8.326 61 HE2 LYS 11 1HE LYS 11 -12.570 -6.245 -10.438 62 HE3 LYS 11 2HE LYS 11 -13.523 -4.762 -10.434 63 HZ1 LYS 11 3HZ LYS 11 -10.619 -5.105 -10.405 64 HZ2 LYS 11 1HZ LYS 11 -11.260 -3.775 -9.579 65 HZ3 LYS 11 2HZ LYS 11 -11.564 -3.971 -11.231 66 HA PRO 12 HA PRO 12 -14.085 -6.883 -2.083 67 HB2 PRO 12 1HB PRO 12 -11.609 -7.993 -2.000 68 HB3 PRO 12 2HB PRO 12 -13.010 -8.820 -2.692 69 HG2 PRO 12 1HG PRO 12 -10.818 -7.322 -4.077 70 HG3 PRO 12 2HG PRO 12 -11.567 -8.868 -4.516 71 HD2 PRO 12 1HD PRO 12 -12.228 -6.534 -5.720 72 HD3 PRO 12 2HD PRO 12 -13.396 -7.851 -5.483 73 H TYR 13 H TYR 13 -11.049 -5.555 -3.416 74 HA TYR 13 HA TYR 13 -11.040 -3.518 -1.336 75 HB2 TYR 13 1HB TYR 13 -8.597 -5.239 -1.753 76 HB3 TYR 13 2HB TYR 13 -8.865 -4.029 -0.504 77 HD1 TYR 13 HD1 TYR 13 -10.360 -4.510 1.391 78 HD2 TYR 13 HD2 TYR 13 -9.462 -7.469 -1.531 79 HE1 TYR 13 HE1 TYR 13 -11.201 -6.255 2.908 80 HE2 TYR 13 HE2 TYR 13 -10.301 -9.222 -0.024 81 HH TYR 13 HH TYR 13 -11.437 -8.444 3.246 82 H LYS 14 H LYS 14 -10.936 -1.733 -2.528 83 HA LYS 14 HA LYS 14 -8.974 -1.634 -4.725 84 HB2 LYS 14 1HB LYS 14 -11.171 -1.473 -5.664 85 HB3 LYS 14 2HB LYS 14 -11.661 -0.285 -4.464 86 HG2 LYS 14 1HG LYS 14 -9.755 1.151 -5.479 87 HG3 LYS 14 2HG LYS 14 -9.907 0.056 -6.855 88 HD2 LYS 14 1HD LYS 14 -12.117 0.709 -7.275 89 HD3 LYS 14 2HD LYS 14 -12.302 1.429 -5.673 90 HE2 LYS 14 1HE LYS 14 -10.409 2.474 -7.772 91 HE3 LYS 14 2HE LYS 14 -12.055 3.067 -7.560 92 HZ1 LYS 14 3HZ LYS 14 -11.185 3.306 -5.086 93 HZ2 LYS 14 1HZ LYS 14 -10.979 4.529 -6.236 94 HZ3 LYS 14 2HZ LYS 14 -9.704 3.475 -5.886 95 H CYS 15 H CYS 15 -7.596 0.090 -4.840 96 HA CYS 15 HA CYS 15 -7.213 1.596 -2.421 97 HB2 CYS 15 1HB CYS 15 -5.367 0.670 -3.905 98 HB3 CYS 15 2HB CYS 15 -5.745 1.968 -5.032 99 H ASN 16 H ASN 16 -8.127 3.477 -1.964 100 HA ASN 16 HA ASN 16 -9.673 4.903 -3.905 101 HB2 ASN 16 1HB ASN 16 -10.301 4.741 -1.500 102 HB3 ASN 16 2HB ASN 16 -8.913 5.748 -1.101 103 HD21 ASN 16 1HD2 ASN 16 -12.076 5.650 -2.511 104 HD22 ASN 16 2HD2 ASN 16 -12.317 7.359 -2.594 105 H GLU 17 H GLU 17 -6.415 4.859 -3.200 106 HA GLU 17 HA GLU 17 -5.900 7.668 -3.674 107 HB2 GLU 17 1HB GLU 17 -4.034 5.306 -3.399 108 HB3 GLU 17 2HB GLU 17 -3.508 6.973 -3.584 109 HG2 GLU 17 1HG GLU 17 -3.432 6.248 -1.259 110 HG3 GLU 17 2HG GLU 17 -4.569 7.574 -1.493 111 H CYS 18 H CYS 18 -5.149 4.614 -5.353 112 HA CYS 18 HA CYS 18 -4.819 6.159 -7.838 113 HB2 CYS 18 1HB CYS 18 -3.518 4.212 -8.661 114 HB3 CYS 18 2HB CYS 18 -2.804 4.954 -7.232 115 H GLY 19 H GLY 19 -6.154 3.137 -6.528 116 HA2 GLY 19 1HA GLY 19 -8.499 2.670 -7.170 117 HA3 GLY 19 2HA GLY 19 -8.037 3.117 -8.806 118 H LYS 20 H LYS 20 -5.750 1.321 -6.975 119 HA LYS 20 HA LYS 20 -5.992 -0.904 -8.804 120 HB2 LYS 20 1HB LYS 20 -3.838 0.204 -7.720 121 HB3 LYS 20 2HB LYS 20 -4.154 -0.975 -6.454 122 HG2 LYS 20 1HG LYS 20 -4.136 -2.751 -8.202 123 HG3 LYS 20 2HG LYS 20 -3.624 -1.526 -9.364 124 HD2 LYS 20 1HD LYS 20 -1.592 -1.140 -8.178 125 HD3 LYS 20 2HD LYS 20 -2.134 -2.121 -6.813 126 HE2 LYS 20 1HE LYS 20 -0.566 -3.398 -8.109 127 HE3 LYS 20 2HE LYS 20 -2.173 -4.095 -8.317 128 HZ1 LYS 20 3HZ LYS 20 -0.700 -3.746 -10.373 129 HZ2 LYS 20 1HZ LYS 20 -1.141 -2.118 -10.245 130 HZ3 LYS 20 2HZ LYS 20 -2.330 -3.301 -10.467 131 H VAL 21 H VAL 21 -6.667 -2.951 -8.340 132 HA VAL 21 HA VAL 21 -8.016 -3.306 -5.751 133 HB VAL 21 HB VAL 21 -8.461 -4.885 -8.286 134 HG11 VAL 21 1HG1 VAL 21 -10.131 -6.005 -7.207 135 HG12 VAL 21 2HG1 VAL 21 -9.050 -5.716 -5.843 136 HG13 VAL 21 3HG1 VAL 21 -10.454 -4.678 -6.092 137 HG21 VAL 21 3HG2 VAL 21 -9.393 -2.252 -7.508 138 HG22 VAL 21 1HG2 VAL 21 -9.529 -3.086 -9.056 139 HG23 VAL 21 2HG2 VAL 21 -10.727 -3.370 -7.793 140 H PHE 22 H PHE 22 -7.649 -5.099 -4.493 141 HA PHE 22 HA PHE 22 -5.587 -6.984 -5.406 142 HB2 PHE 22 1HB PHE 22 -5.689 -5.902 -2.591 143 HB3 PHE 22 2HB PHE 22 -4.417 -6.870 -3.332 144 HD1 PHE 22 HD2 PHE 22 -6.123 -3.578 -3.634 145 HD2 PHE 22 HD1 PHE 22 -2.562 -5.830 -4.234 146 HE1 PHE 22 HE2 PHE 22 -4.932 -1.519 -4.263 147 HE2 PHE 22 HE1 PHE 22 -1.364 -3.775 -4.863 148 HZ PHE 22 HZ PHE 22 -2.549 -1.616 -4.880 149 H THR 23 H THR 23 -6.281 -9.005 -5.289 150 HA THR 23 HA THR 23 -8.719 -9.880 -4.459 151 HB THR 23 HB THR 23 -7.787 -12.148 -4.291 152 HG1 THR 23 HG1 THR 23 -5.336 -10.722 -4.263 153 HG21 THR 23 3HG2 THR 23 -7.764 -10.490 -6.523 154 HG22 THR 23 1HG2 THR 23 -7.682 -12.251 -6.521 155 HG23 THR 23 2HG2 THR 23 -6.198 -11.299 -6.561 156 H GLN 24 H GLN 24 -5.832 -9.491 -2.479 157 HA GLN 24 HA GLN 24 -7.439 -10.173 -0.105 158 HB2 GLN 24 1HB GLN 24 -4.442 -10.340 -0.470 159 HB3 GLN 24 2HB GLN 24 -5.308 -10.712 1.015 160 HG2 GLN 24 1HG GLN 24 -5.506 -12.178 -1.605 161 HG3 GLN 24 2HG GLN 24 -4.738 -12.748 -0.124 162 HE21 GLN 24 1HE2 GLN 24 -6.821 -14.039 -1.592 163 HE22 GLN 24 2HE2 GLN 24 -8.188 -14.159 -0.543 164 H ASN 25 H ASN 25 -7.471 -8.785 1.621 165 HA ASN 25 HA ASN 25 -7.130 -6.052 1.146 166 HB2 ASN 25 1HB ASN 25 -7.716 -5.712 3.427 167 HB3 ASN 25 2HB ASN 25 -8.600 -7.143 2.904 168 HD21 ASN 25 1HD2 ASN 25 -7.927 -9.184 3.629 169 HD22 ASN 25 2HD2 ASN 25 -6.943 -9.358 5.038 170 H SER 26 H SER 26 -5.090 -8.331 2.950 171 HA SER 26 HA SER 26 -3.188 -6.643 3.968 172 HB2 SER 26 1HB SER 26 -2.740 -9.379 2.749 173 HB3 SER 26 2HB SER 26 -1.602 -8.545 3.807 174 HG SER 26 HG SER 26 -4.271 -9.141 4.550 175 H HIS 27 H HIS 27 -3.370 -7.945 0.682 176 HA HIS 27 HA HIS 27 -0.934 -6.994 -0.287 177 HB2 HIS 27 1HB HIS 27 -3.540 -7.742 -1.532 178 HB3 HIS 27 2HB HIS 27 -2.362 -6.887 -2.523 179 HD2 HIS 27 HD2 HIS 27 -1.348 -9.717 0.013 180 HE1 HIS 27 HE1 HIS 27 -0.500 -11.011 -3.938 181 HE2 HIS 27 HE2 HIS 27 -0.372 -11.584 -1.488 182 H LEU 28 H LEU 28 -4.108 -5.423 -0.165 183 HA LEU 28 HA LEU 28 -3.333 -3.065 -1.518 184 HB2 LEU 28 1HB LEU 28 -5.634 -3.509 -1.405 185 HB3 LEU 28 2HB LEU 28 -5.587 -3.743 0.341 186 HG LEU 28 HG LEU 28 -5.267 -1.348 0.667 187 HD11 LEU 28 1HD1 LEU 28 -5.537 -1.109 -2.325 188 HD12 LEU 28 2HD1 LEU 28 -4.032 -0.922 -1.425 189 HD13 LEU 28 3HD1 LEU 28 -5.359 0.211 -1.169 190 HD21 LEU 28 3HD2 LEU 28 -7.501 -0.727 -0.725 191 HD22 LEU 28 1HD2 LEU 28 -7.498 -1.605 0.804 192 HD23 LEU 28 2HD2 LEU 28 -7.597 -2.489 -0.719 193 H ALA 29 H ALA 29 -3.778 -3.722 1.957 194 HA ALA 29 HA ALA 29 -3.082 -1.304 3.024 195 HB1 ALA 29 3HB ALA 29 -2.168 -2.627 4.972 196 HB2 ALA 29 1HB ALA 29 -3.818 -3.011 4.483 197 HB3 ALA 29 2HB ALA 29 -2.491 -4.078 4.024 198 H ARG 30 H ARG 30 -0.822 -3.943 2.224 199 HA ARG 30 HA ARG 30 1.518 -2.526 2.903 200 HB2 ARG 30 1HB ARG 30 2.714 -4.265 1.683 201 HB3 ARG 30 2HB ARG 30 1.446 -4.972 2.674 202 HG2 ARG 30 1HG ARG 30 0.109 -5.463 0.824 203 HG3 ARG 30 2HG ARG 30 1.002 -4.358 -0.224 204 HD2 ARG 30 1HD ARG 30 2.294 -6.767 1.020 205 HD3 ARG 30 2HD ARG 30 1.421 -6.864 -0.508 206 HE ARG 30 HE ARG 30 3.169 -4.815 -0.881 207 HH11 ARG 30 1HH1 ARG 30 3.488 -8.134 0.122 208 HH12 ARG 30 2HH1 ARG 30 5.078 -8.317 -0.541 209 HH21 ARG 30 1HH2 ARG 30 5.262 -5.044 -1.758 210 HH22 ARG 30 2HH2 ARG 30 6.086 -6.559 -1.610 211 H HIS 31 H HIS 31 -0.439 -2.608 0.020 212 HA HIS 31 HA HIS 31 1.474 -1.451 -1.738 213 HB2 HIS 31 1HB HIS 31 -0.184 -2.442 -2.967 214 HB3 HIS 31 2HB HIS 31 -1.443 -2.016 -1.812 215 HD1 HIS 31 HD1 HIS 31 0.428 -0.667 -4.766 216 HD2 HIS 31 HD2 HIS 31 -2.732 0.406 -2.291 217 HE1 HIS 31 HE1 HIS 31 -0.667 1.300 -5.887 218 H ARG 32 H ARG 32 -1.313 -0.091 0.015 219 HA ARG 32 HA ARG 32 -1.322 2.490 -0.747 220 HB2 ARG 32 1HB ARG 32 -1.457 1.527 2.116 221 HB3 ARG 32 2HB ARG 32 -2.000 3.101 1.551 222 HG2 ARG 32 1HG ARG 32 -3.683 2.033 0.152 223 HG3 ARG 32 2HG ARG 32 -3.127 0.446 0.686 224 HD2 ARG 32 1HD ARG 32 -4.914 0.790 2.092 225 HD3 ARG 32 2HD ARG 32 -3.584 1.409 3.069 226 HE ARG 32 HE ARG 32 -4.888 3.400 1.447 227 HH11 ARG 32 1HH1 ARG 32 -4.865 1.735 4.504 228 HH12 ARG 32 2HH1 ARG 32 -5.712 2.992 5.343 229 HH21 ARG 32 1HH2 ARG 32 -6.004 5.062 2.540 230 HH22 ARG 32 2HH2 ARG 32 -6.360 4.884 4.225 231 H GLY 33 H GLY 33 1.235 0.902 0.964 232 HA2 GLY 33 1HA GLY 33 2.556 3.042 2.152 233 HA3 GLY 33 2HA GLY 33 3.345 1.597 1.538 234 H ILE 34 H ILE 34 2.814 1.848 -1.179 235 HA ILE 34 HA ILE 34 4.901 3.440 -2.061 236 HB ILE 34 HB ILE 34 4.085 3.127 -4.303 237 HG12 ILE 34 1HG1 ILE 34 1.549 1.854 -3.387 238 HG13 ILE 34 2HG1 ILE 34 1.624 3.613 -3.411 239 HG21 ILE 34 1HG2 ILE 34 5.083 1.180 -3.372 240 HG22 ILE 34 2HG2 ILE 34 3.604 0.758 -2.511 241 HG23 ILE 34 3HG2 ILE 34 3.660 0.654 -4.270 242 HD11 ILE 34 3HD1 ILE 34 1.092 3.530 -5.553 243 HD12 ILE 34 1HD1 ILE 34 2.661 2.789 -5.867 244 HD13 ILE 34 2HD1 ILE 34 1.248 1.774 -5.575 245 H HIS 35 H HIS 35 1.662 4.323 -1.267 246 HA HIS 35 HA HIS 35 1.707 6.816 -2.723 247 HB2 HIS 35 1HB HIS 35 -0.221 5.624 -0.730 248 HB3 HIS 35 2HB HIS 35 -0.429 7.237 -1.407 249 HD1 HIS 35 HD1 HIS 35 -0.037 6.943 -4.303 250 HD2 HIS 35 HD2 HIS 35 -1.874 3.967 -2.059 251 HE1 HIS 35 HE1 HIS 35 -1.400 5.609 -5.942 252 H THR 36 H THR 36 1.575 5.952 0.736 253 HA THR 36 HA THR 36 2.680 8.600 1.369 254 HB THR 36 HB THR 36 0.587 8.080 2.513 255 HG1 THR 36 HG1 THR 36 2.639 7.864 4.456 256 HG21 THR 36 3HG2 THR 36 0.360 6.253 4.047 257 HG22 THR 36 1HG2 THR 36 2.051 5.800 3.840 258 HG23 THR 36 2HG2 THR 36 0.914 5.596 2.507 259 H GLY 37 H GLY 37 4.659 8.825 2.238 260 HA2 GLY 37 1HA GLY 37 5.984 6.990 3.872 261 HA3 GLY 37 2HA GLY 37 6.486 6.671 2.218 262 H GLU 38 H GLU 38 7.073 8.794 0.994 263 HA GLU 38 HA GLU 38 8.943 10.247 2.731 264 HB2 GLU 38 1HB GLU 38 10.050 9.105 0.929 265 HB3 GLU 38 2HB GLU 38 8.931 9.774 -0.251 266 HG2 GLU 38 1HG GLU 38 10.751 11.111 -0.575 267 HG3 GLU 38 2HG GLU 38 9.851 12.062 0.605 268 H LYS 39 H LYS 39 8.786 12.388 3.028 269 HA LYS 39 HA LYS 39 6.431 13.764 2.292 270 HB2 LYS 39 1HB LYS 39 9.047 14.700 3.466 271 HB3 LYS 39 2HB LYS 39 7.695 15.786 3.177 272 HG2 LYS 39 1HG LYS 39 7.472 15.216 5.413 273 HG3 LYS 39 2HG LYS 39 6.331 14.142 4.601 274 HD2 LYS 39 1HD LYS 39 7.596 12.276 4.994 275 HD3 LYS 39 2HD LYS 39 9.114 13.177 5.010 276 HE2 LYS 39 1HE LYS 39 7.020 13.320 7.175 277 HE3 LYS 39 2HE LYS 39 8.441 12.278 7.233 278 HZ1 LYS 39 3HZ LYS 39 9.199 14.937 6.634 279 HZ2 LYS 39 1HZ LYS 39 9.661 13.967 7.941 280 HZ3 LYS 39 2HZ LYS 39 8.264 14.914 8.044 281 HA PRO 40 HA PRO 40 7.456 15.240 -1.731 282 HB2 PRO 40 1HB PRO 40 5.733 17.335 -1.852 283 HB3 PRO 40 2HB PRO 40 5.210 15.652 -1.984 284 HG2 PRO 40 1HG PRO 40 5.143 17.476 0.389 285 HG3 PRO 40 2HG PRO 40 3.907 16.342 -0.185 286 HD2 PRO 40 1HD PRO 40 5.571 15.764 1.871 287 HD3 PRO 40 2HD PRO 40 4.957 14.521 0.761 288 H SER 41 H SER 41 7.922 17.043 1.137 289 HA SER 41 HA SER 41 8.694 19.543 0.301 290 HB2 SER 41 1HB SER 41 9.751 17.780 2.504 291 HB3 SER 41 2HB SER 41 10.373 19.410 2.249 292 HG SER 41 HG SER 41 8.060 18.616 3.409 293 H GLY 42 H GLY 42 10.742 16.635 0.489 294 HA2 GLY 42 1HA GLY 42 13.096 17.825 -0.478 295 HA3 GLY 42 2HA GLY 42 12.723 16.109 -0.544 296 HA PRO 43 HA PRO 43 13.004 17.672 -4.891 297 HB2 PRO 43 1HB PRO 43 14.483 15.581 -5.790 298 HB3 PRO 43 2HB PRO 43 15.200 17.016 -5.049 299 HG2 PRO 43 1HG PRO 43 14.627 14.343 -3.831 300 HG3 PRO 43 2HG PRO 43 16.063 15.367 -3.655 301 HD2 PRO 43 1HD PRO 43 14.117 15.252 -1.776 302 HD3 PRO 43 2HD PRO 43 15.057 16.725 -2.088 303 H SER 44 H SER 44 11.051 17.320 -5.771 304 HA SER 44 HA SER 44 9.572 14.930 -5.526 305 HB2 SER 44 1HB SER 44 8.601 17.192 -6.002 306 HB3 SER 44 2HB SER 44 9.236 17.067 -7.642 307 HG SER 44 HG SER 44 7.471 16.030 -8.073 308 H SER 45 H SER 45 10.032 13.045 -6.427 309 HA SER 45 HA SER 45 11.745 12.861 -8.740 310 HB2 SER 45 1HB SER 45 10.484 10.889 -6.866 311 HB3 SER 45 2HB SER 45 11.136 10.330 -8.407 312 HG SER 45 HG SER 45 12.806 10.207 -6.996 313 H GLY 46 H GLY 46 10.831 13.423 -10.629 314 HA2 GLY 46 1HA GLY 46 8.322 12.047 -11.361 315 HA3 GLY 46 2HA GLY 46 8.588 13.740 -11.753 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -25.310 20.434 -3.955 2 HA2 GLY 1 1HA GLY 1 -24.867 18.095 -4.046 3 HA3 GLY 1 2HA GLY 1 -26.591 17.806 -4.223 4 H SER 2 H SER 2 -24.841 16.522 -5.873 5 HA SER 2 HA SER 2 -25.694 17.496 -8.453 6 HB2 SER 2 1HB SER 2 -23.344 17.424 -9.383 7 HB3 SER 2 2HB SER 2 -23.674 18.778 -8.302 8 HG SER 2 HG SER 2 -22.273 16.386 -7.708 9 H SER 3 H SER 3 -26.007 15.860 -9.858 10 HA SER 3 HA SER 3 -25.985 13.205 -8.970 11 HB2 SER 3 1HB SER 3 -27.324 14.305 -10.902 12 HB3 SER 3 2HB SER 3 -25.917 13.918 -11.892 13 HG SER 3 HG SER 3 -26.209 11.707 -11.019 14 H GLY 4 H GLY 4 -23.756 14.933 -11.130 15 HA2 GLY 4 1HA GLY 4 -21.667 14.378 -11.913 16 HA3 GLY 4 2HA GLY 4 -21.437 13.692 -10.311 17 H SER 5 H SER 5 -20.209 11.957 -10.977 18 HA SER 5 HA SER 5 -21.297 10.146 -12.983 19 HB2 SER 5 1HB SER 5 -18.690 10.095 -11.445 20 HB3 SER 5 2HB SER 5 -19.146 8.924 -12.682 21 HG SER 5 HG SER 5 -18.707 10.339 -14.184 22 H SER 6 H SER 6 -21.584 7.886 -12.574 23 HA SER 6 HA SER 6 -23.202 7.221 -10.487 24 HB2 SER 6 1HB SER 6 -21.250 5.322 -11.810 25 HB3 SER 6 2HB SER 6 -22.744 4.881 -10.983 26 HG SER 6 HG SER 6 -23.267 6.721 -12.858 27 H GLY 7 H GLY 7 -22.752 5.556 -8.731 28 HA2 GLY 7 1HA GLY 7 -20.111 5.937 -7.500 29 HA3 GLY 7 2HA GLY 7 -21.545 6.369 -6.580 30 H THR 8 H THR 8 -20.412 3.618 -8.551 31 HA THR 8 HA THR 8 -21.422 1.833 -6.433 32 HB THR 8 HB THR 8 -21.562 0.083 -8.232 33 HG1 THR 8 HG1 THR 8 -20.398 0.783 -9.919 34 HG21 THR 8 3HG2 THR 8 -23.301 2.310 -7.736 35 HG22 THR 8 1HG2 THR 8 -23.717 0.643 -8.133 36 HG23 THR 8 2HG2 THR 8 -23.438 1.813 -9.422 37 H GLY 9 H GLY 9 -20.273 -0.355 -6.453 38 HA2 GLY 9 1HA GLY 9 -17.652 -0.612 -7.456 39 HA3 GLY 9 2HA GLY 9 -17.572 0.017 -5.817 40 H LYS 10 H LYS 10 -17.746 -2.750 -7.707 41 HA LYS 10 HA LYS 10 -18.590 -4.382 -5.405 42 HB2 LYS 10 1HB LYS 10 -18.915 -4.717 -8.352 43 HB3 LYS 10 2HB LYS 10 -18.755 -6.162 -7.362 44 HG2 LYS 10 1HG LYS 10 -21.031 -5.903 -7.428 45 HG3 LYS 10 2HG LYS 10 -20.631 -5.053 -5.933 46 HD2 LYS 10 1HD LYS 10 -20.694 -2.923 -7.103 47 HD3 LYS 10 2HD LYS 10 -21.016 -3.750 -8.629 48 HE2 LYS 10 1HE LYS 10 -23.097 -2.927 -7.824 49 HE3 LYS 10 2HE LYS 10 -23.099 -4.673 -7.577 50 HZ1 LYS 10 3HZ LYS 10 -22.416 -4.239 -5.251 51 HZ2 LYS 10 1HZ LYS 10 -23.948 -3.628 -5.627 52 HZ3 LYS 10 2HZ LYS 10 -22.623 -2.582 -5.525 53 H LYS 11 H LYS 11 -16.272 -3.894 -4.751 54 HA LYS 11 HA LYS 11 -14.575 -6.075 -5.740 55 HB2 LYS 11 1HB LYS 11 -13.764 -3.193 -5.369 56 HB3 LYS 11 2HB LYS 11 -12.597 -4.506 -5.448 57 HG2 LYS 11 1HG LYS 11 -12.589 -3.876 -7.626 58 HG3 LYS 11 2HG LYS 11 -13.906 -5.049 -7.681 59 HD2 LYS 11 1HD LYS 11 -15.547 -3.305 -7.555 60 HD3 LYS 11 2HD LYS 11 -14.302 -2.089 -7.262 61 HE2 LYS 11 1HE LYS 11 -14.300 -3.756 -9.755 62 HE3 LYS 11 2HE LYS 11 -15.282 -2.297 -9.633 63 HZ1 LYS 11 3HZ LYS 11 -13.272 -1.039 -9.141 64 HZ2 LYS 11 1HZ LYS 11 -13.146 -1.823 -10.635 65 HZ3 LYS 11 2HZ LYS 11 -12.336 -2.441 -9.285 66 HA PRO 12 HA PRO 12 -13.870 -7.000 -1.507 67 HB2 PRO 12 1HB PRO 12 -11.337 -7.974 -1.587 68 HB3 PRO 12 2HB PRO 12 -12.728 -8.860 -2.224 69 HG2 PRO 12 1HG PRO 12 -10.700 -7.213 -3.685 70 HG3 PRO 12 2HG PRO 12 -11.388 -8.788 -4.123 71 HD2 PRO 12 1HD PRO 12 -12.239 -6.467 -5.229 72 HD3 PRO 12 2HD PRO 12 -13.319 -7.850 -4.963 73 H TYR 13 H TYR 13 -10.987 -5.478 -2.967 74 HA TYR 13 HA TYR 13 -10.981 -3.471 -0.865 75 HB2 TYR 13 1HB TYR 13 -8.515 -5.145 -1.364 76 HB3 TYR 13 2HB TYR 13 -8.720 -3.885 -0.152 77 HD1 TYR 13 HD1 TYR 13 -10.346 -4.285 1.743 78 HD2 TYR 13 HD2 TYR 13 -9.106 -7.378 -0.902 79 HE1 TYR 13 HE1 TYR 13 -11.087 -5.970 3.375 80 HE2 TYR 13 HE2 TYR 13 -9.845 -9.071 0.721 81 HH TYR 13 HH TYR 13 -11.444 -8.144 3.744 82 H LYS 14 H LYS 14 -10.911 -1.646 -1.985 83 HA LYS 14 HA LYS 14 -9.118 -1.494 -4.319 84 HB2 LYS 14 1HB LYS 14 -11.463 -1.269 -4.953 85 HB3 LYS 14 2HB LYS 14 -11.678 0.022 -3.779 86 HG2 LYS 14 1HG LYS 14 -9.766 1.176 -5.135 87 HG3 LYS 14 2HG LYS 14 -10.273 0.061 -6.406 88 HD2 LYS 14 1HD LYS 14 -12.480 0.946 -6.416 89 HD3 LYS 14 2HD LYS 14 -12.188 1.863 -4.937 90 HE2 LYS 14 1HE LYS 14 -10.356 3.058 -6.278 91 HE3 LYS 14 2HE LYS 14 -11.130 2.363 -7.701 92 HZ1 LYS 14 3HZ LYS 14 -13.193 3.454 -7.060 93 HZ2 LYS 14 1HZ LYS 14 -11.950 4.585 -7.258 94 HZ3 LYS 14 2HZ LYS 14 -12.440 4.129 -5.704 95 H CYS 15 H CYS 15 -7.723 0.216 -4.499 96 HA CYS 15 HA CYS 15 -7.174 1.668 -2.054 97 HB2 CYS 15 1HB CYS 15 -5.407 0.607 -3.554 98 HB3 CYS 15 2HB CYS 15 -5.710 1.927 -4.679 99 H ASN 16 H ASN 16 -8.110 3.543 -1.620 100 HA ASN 16 HA ASN 16 -9.474 5.066 -3.626 101 HB2 ASN 16 1HB ASN 16 -8.993 5.417 -0.679 102 HB3 ASN 16 2HB ASN 16 -9.708 6.713 -1.633 103 HD21 ASN 16 1HD2 ASN 16 -11.822 6.672 -1.984 104 HD22 ASN 16 2HD2 ASN 16 -12.868 5.338 -1.650 105 H GLU 17 H GLU 17 -6.307 4.769 -3.109 106 HA GLU 17 HA GLU 17 -5.606 7.592 -3.288 107 HB2 GLU 17 1HB GLU 17 -3.841 5.138 -3.231 108 HB3 GLU 17 2HB GLU 17 -3.279 6.803 -3.170 109 HG2 GLU 17 1HG GLU 17 -4.886 6.908 -1.086 110 HG3 GLU 17 2HG GLU 17 -4.608 5.168 -1.079 111 H CYS 18 H CYS 18 -5.049 4.614 -5.164 112 HA CYS 18 HA CYS 18 -4.581 6.293 -7.537 113 HB2 CYS 18 1HB CYS 18 -3.490 4.231 -8.482 114 HB3 CYS 18 2HB CYS 18 -2.665 4.930 -7.093 115 H GLY 19 H GLY 19 -6.174 3.312 -6.440 116 HA2 GLY 19 1HA GLY 19 -8.547 3.097 -7.128 117 HA3 GLY 19 2HA GLY 19 -8.022 3.592 -8.731 118 H LYS 20 H LYS 20 -6.110 1.423 -6.786 119 HA LYS 20 HA LYS 20 -6.485 -0.655 -8.798 120 HB2 LYS 20 1HB LYS 20 -4.475 -0.192 -6.613 121 HB3 LYS 20 2HB LYS 20 -4.618 -1.767 -7.383 122 HG2 LYS 20 1HG LYS 20 -3.816 -1.011 -9.396 123 HG3 LYS 20 2HG LYS 20 -4.307 0.657 -9.087 124 HD2 LYS 20 1HD LYS 20 -2.530 0.419 -7.131 125 HD3 LYS 20 2HD LYS 20 -1.870 -0.807 -8.216 126 HE2 LYS 20 1HE LYS 20 -2.568 1.933 -9.213 127 HE3 LYS 20 2HE LYS 20 -1.023 1.621 -8.422 128 HZ1 LYS 20 3HZ LYS 20 -0.551 1.292 -10.642 129 HZ2 LYS 20 1HZ LYS 20 -2.040 0.561 -10.976 130 HZ3 LYS 20 2HZ LYS 20 -0.855 -0.287 -10.117 131 H VAL 21 H VAL 21 -6.401 -2.977 -7.852 132 HA VAL 21 HA VAL 21 -8.046 -3.201 -5.435 133 HB VAL 21 HB VAL 21 -8.700 -4.697 -7.973 134 HG11 VAL 21 1HG1 VAL 21 -10.475 -5.650 -6.840 135 HG12 VAL 21 2HG1 VAL 21 -9.224 -5.612 -5.596 136 HG13 VAL 21 3HG1 VAL 21 -10.497 -4.391 -5.605 137 HG21 VAL 21 3HG2 VAL 21 -10.392 -3.202 -8.459 138 HG22 VAL 21 1HG2 VAL 21 -10.448 -2.570 -6.813 139 HG23 VAL 21 2HG2 VAL 21 -9.118 -2.127 -7.883 140 H PHE 22 H PHE 22 -7.695 -5.026 -4.231 141 HA PHE 22 HA PHE 22 -5.839 -7.033 -5.304 142 HB2 PHE 22 1HB PHE 22 -5.607 -5.884 -2.519 143 HB3 PHE 22 2HB PHE 22 -4.510 -7.017 -3.300 144 HD1 PHE 22 HD2 PHE 22 -5.774 -3.542 -3.421 145 HD2 PHE 22 HD1 PHE 22 -2.721 -6.260 -4.607 146 HE1 PHE 22 HE2 PHE 22 -4.419 -1.658 -4.237 147 HE2 PHE 22 HE1 PHE 22 -1.360 -4.380 -5.425 148 HZ PHE 22 HZ PHE 22 -2.209 -2.075 -5.242 149 H THR 23 H THR 23 -6.747 -8.964 -5.172 150 HA THR 23 HA THR 23 -9.113 -9.702 -4.143 151 HB THR 23 HB THR 23 -6.601 -11.382 -4.146 152 HG1 THR 23 HG1 THR 23 -7.824 -10.431 -6.141 153 HG21 THR 23 3HG2 THR 23 -8.788 -13.064 -4.424 154 HG22 THR 23 1HG2 THR 23 -9.262 -11.957 -3.136 155 HG23 THR 23 2HG2 THR 23 -7.775 -12.894 -2.991 156 H GLN 24 H GLN 24 -6.083 -9.574 -2.316 157 HA GLN 24 HA GLN 24 -7.632 -9.991 0.154 158 HB2 GLN 24 1HB GLN 24 -4.724 -10.541 -0.445 159 HB3 GLN 24 2HB GLN 24 -5.419 -10.620 1.168 160 HG2 GLN 24 1HG GLN 24 -6.651 -12.510 0.693 161 HG3 GLN 24 2HG GLN 24 -6.617 -12.220 -1.046 162 HE21 GLN 24 1HE2 GLN 24 -4.314 -12.727 1.610 163 HE22 GLN 24 2HE2 GLN 24 -3.305 -13.834 0.749 164 H ASN 25 H ASN 25 -7.610 -8.466 1.710 165 HA ASN 25 HA ASN 25 -6.971 -5.834 1.161 166 HB2 ASN 25 1HB ASN 25 -8.437 -6.783 3.040 167 HB3 ASN 25 2HB ASN 25 -6.945 -6.953 3.960 168 HD21 ASN 25 1HD2 ASN 25 -5.650 -4.988 4.242 169 HD22 ASN 25 2HD2 ASN 25 -6.474 -3.479 4.419 170 H SER 26 H SER 26 -5.096 -8.175 3.076 171 HA SER 26 HA SER 26 -3.009 -6.705 3.955 172 HB2 SER 26 1HB SER 26 -3.396 -9.269 4.053 173 HB3 SER 26 2HB SER 26 -2.436 -9.315 2.574 174 HG SER 26 HG SER 26 -1.676 -8.571 5.173 175 H HIS 27 H HIS 27 -3.394 -7.935 0.655 176 HA HIS 27 HA HIS 27 -0.926 -7.028 -0.345 177 HB2 HIS 27 1HB HIS 27 -3.529 -7.845 -1.560 178 HB3 HIS 27 2HB HIS 27 -2.352 -7.020 -2.578 179 HD2 HIS 27 HD2 HIS 27 -1.085 -9.613 0.045 180 HE1 HIS 27 HE1 HIS 27 -0.651 -11.288 -3.829 181 HE2 HIS 27 HE2 HIS 27 -0.227 -11.604 -1.366 182 H LEU 28 H LEU 28 -4.047 -5.458 0.017 183 HA LEU 28 HA LEU 28 -3.325 -3.129 -1.489 184 HB2 LEU 28 1HB LEU 28 -5.622 -3.617 -1.404 185 HB3 LEU 28 2HB LEU 28 -5.598 -3.812 0.348 186 HG LEU 28 HG LEU 28 -5.229 -1.369 0.567 187 HD11 LEU 28 1HD1 LEU 28 -5.423 0.092 -1.287 188 HD12 LEU 28 2HD1 LEU 28 -5.867 -1.227 -2.369 189 HD13 LEU 28 3HD1 LEU 28 -4.227 -1.127 -1.728 190 HD21 LEU 28 3HD2 LEU 28 -7.489 -0.771 0.221 191 HD22 LEU 28 1HD2 LEU 28 -7.493 -2.495 0.595 192 HD23 LEU 28 2HD2 LEU 28 -7.682 -1.954 -1.073 193 H ALA 29 H ALA 29 -3.740 -3.806 1.982 194 HA ALA 29 HA ALA 29 -3.127 -1.347 3.038 195 HB1 ALA 29 3HB ALA 29 -2.893 -4.130 3.990 196 HB2 ALA 29 1HB ALA 29 -1.955 -2.922 4.870 197 HB3 ALA 29 2HB ALA 29 -3.703 -2.742 4.717 198 H ARG 30 H ARG 30 -0.829 -3.932 2.193 199 HA ARG 30 HA ARG 30 1.487 -2.480 2.915 200 HB2 ARG 30 1HB ARG 30 2.730 -4.215 1.829 201 HB3 ARG 30 2HB ARG 30 1.356 -4.965 2.631 202 HG2 ARG 30 1HG ARG 30 0.163 -4.978 0.453 203 HG3 ARG 30 2HG ARG 30 1.641 -4.381 -0.306 204 HD2 ARG 30 1HD ARG 30 1.762 -6.829 1.393 205 HD3 ARG 30 2HD ARG 30 1.103 -6.949 -0.238 206 HE ARG 30 HE ARG 30 3.857 -6.528 0.500 207 HH11 ARG 30 1HH1 ARG 30 1.460 -6.202 -2.005 208 HH12 ARG 30 2HH1 ARG 30 2.619 -6.189 -3.293 209 HH21 ARG 30 1HH2 ARG 30 5.392 -6.512 -1.187 210 HH22 ARG 30 2HH2 ARG 30 4.855 -6.366 -2.827 211 H HIS 31 H HIS 31 -0.405 -2.676 -0.023 212 HA HIS 31 HA HIS 31 1.483 -1.462 -1.752 213 HB2 HIS 31 1HB HIS 31 -0.141 -2.493 -2.991 214 HB3 HIS 31 2HB HIS 31 -1.421 -2.086 -1.851 215 HD1 HIS 31 HD1 HIS 31 0.382 -0.790 -4.851 216 HD2 HIS 31 HD2 HIS 31 -2.682 0.380 -2.301 217 HE1 HIS 31 HE1 HIS 31 -0.723 1.165 -5.982 218 H ARG 32 H ARG 32 -1.372 -0.141 -0.078 219 HA ARG 32 HA ARG 32 -1.401 2.435 -0.849 220 HB2 ARG 32 1HB ARG 32 -1.632 1.422 1.989 221 HB3 ARG 32 2HB ARG 32 -2.096 3.038 1.476 222 HG2 ARG 32 1HG ARG 32 -3.829 2.175 0.080 223 HG3 ARG 32 2HG ARG 32 -3.279 0.518 0.337 224 HD2 ARG 32 1HD ARG 32 -5.122 0.753 1.761 225 HD3 ARG 32 2HD ARG 32 -3.721 0.941 2.815 226 HE ARG 32 HE ARG 32 -5.661 2.969 2.110 227 HH11 ARG 32 1HH1 ARG 32 -2.519 2.274 3.437 228 HH12 ARG 32 2HH1 ARG 32 -2.409 3.772 4.301 229 HH21 ARG 32 1HH2 ARG 32 -5.528 4.944 3.242 230 HH22 ARG 32 2HH2 ARG 32 -4.121 5.289 4.190 231 H GLY 33 H GLY 33 1.128 0.901 0.957 232 HA2 GLY 33 1HA GLY 33 2.378 3.083 2.151 233 HA3 GLY 33 2HA GLY 33 3.205 1.634 1.599 234 H ILE 34 H ILE 34 2.790 1.806 -1.136 235 HA ILE 34 HA ILE 34 4.890 3.340 -2.014 236 HB ILE 34 HB ILE 34 4.075 3.072 -4.259 237 HG12 ILE 34 1HG1 ILE 34 1.468 1.934 -3.363 238 HG13 ILE 34 2HG1 ILE 34 1.637 3.685 -3.388 239 HG21 ILE 34 1HG2 ILE 34 3.131 0.546 -3.850 240 HG22 ILE 34 2HG2 ILE 34 4.834 1.002 -3.867 241 HG23 ILE 34 3HG2 ILE 34 3.971 0.871 -2.334 242 HD11 ILE 34 3HD1 ILE 34 2.643 2.659 -5.834 243 HD12 ILE 34 1HD1 ILE 34 1.062 1.939 -5.530 244 HD13 ILE 34 2HD1 ILE 34 1.242 3.694 -5.558 245 H HIS 35 H HIS 35 1.672 4.356 -1.262 246 HA HIS 35 HA HIS 35 1.839 6.854 -2.693 247 HB2 HIS 35 1HB HIS 35 -0.143 5.728 -0.718 248 HB3 HIS 35 2HB HIS 35 -0.276 7.362 -1.360 249 HD1 HIS 35 HD1 HIS 35 -0.169 7.314 -4.185 250 HD2 HIS 35 HD2 HIS 35 -1.595 3.977 -2.161 251 HE1 HIS 35 HE1 HIS 35 -1.520 6.030 -5.874 252 H THR 36 H THR 36 1.735 5.947 0.754 253 HA THR 36 HA THR 36 2.178 8.481 1.816 254 HB THR 36 HB THR 36 2.448 7.474 3.857 255 HG1 THR 36 HG1 THR 36 4.458 6.492 3.425 256 HG21 THR 36 3HG2 THR 36 1.543 4.916 2.655 257 HG22 THR 36 1HG2 THR 36 0.570 6.350 2.329 258 HG23 THR 36 2HG2 THR 36 0.862 5.842 3.992 259 H GLY 37 H GLY 37 4.600 5.897 1.330 260 HA2 GLY 37 1HA GLY 37 6.822 6.051 0.728 261 HA3 GLY 37 2HA GLY 37 6.567 7.759 0.400 262 H GLU 38 H GLU 38 8.914 7.108 1.488 263 HA GLU 38 HA GLU 38 8.640 7.726 4.354 264 HB2 GLU 38 1HB GLU 38 11.031 6.542 2.935 265 HB3 GLU 38 2HB GLU 38 10.846 6.764 4.669 266 HG2 GLU 38 1HG GLU 38 8.824 5.123 3.248 267 HG3 GLU 38 2HG GLU 38 10.427 4.437 3.507 268 H LYS 39 H LYS 39 8.914 9.368 1.674 269 HA LYS 39 HA LYS 39 11.250 10.979 2.276 270 HB2 LYS 39 1HB LYS 39 9.129 11.215 0.137 271 HB3 LYS 39 2HB LYS 39 10.504 12.301 0.285 272 HG2 LYS 39 1HG LYS 39 12.003 10.731 -0.435 273 HG3 LYS 39 2HG LYS 39 11.013 9.376 0.113 274 HD2 LYS 39 1HD LYS 39 10.107 11.151 -2.129 275 HD3 LYS 39 2HD LYS 39 11.214 9.807 -2.421 276 HE2 LYS 39 1HE LYS 39 9.507 8.356 -1.207 277 HE3 LYS 39 2HE LYS 39 8.399 9.718 -1.370 278 HZ1 LYS 39 3HZ LYS 39 9.392 9.413 -3.874 279 HZ2 LYS 39 1HZ LYS 39 7.899 8.828 -3.334 280 HZ3 LYS 39 2HZ LYS 39 9.254 7.814 -3.339 281 HA PRO 40 HA PRO 40 9.243 14.041 4.703 282 HB2 PRO 40 1HB PRO 40 10.715 16.228 4.056 283 HB3 PRO 40 2HB PRO 40 11.330 14.925 5.079 284 HG2 PRO 40 1HG PRO 40 11.789 15.421 2.163 285 HG3 PRO 40 2HG PRO 40 12.949 14.928 3.410 286 HD2 PRO 40 1HD PRO 40 11.852 13.172 1.665 287 HD3 PRO 40 2HD PRO 40 12.296 12.720 3.323 288 H SER 41 H SER 41 9.767 14.758 1.283 289 HA SER 41 HA SER 41 7.384 16.490 1.332 290 HB2 SER 41 1HB SER 41 9.276 17.766 0.607 291 HB3 SER 41 2HB SER 41 9.787 16.493 -0.503 292 HG SER 41 HG SER 41 8.347 17.136 -1.921 293 H GLY 42 H GLY 42 6.002 16.418 -0.588 294 HA2 GLY 42 1HA GLY 42 6.054 14.644 -2.662 295 HA3 GLY 42 2HA GLY 42 5.432 13.697 -1.318 296 HA PRO 43 HA PRO 43 1.408 15.116 -2.361 297 HB2 PRO 43 1HB PRO 43 0.162 14.688 0.013 298 HB3 PRO 43 2HB PRO 43 0.623 13.378 -1.080 299 HG2 PRO 43 1HG PRO 43 2.021 14.380 1.370 300 HG3 PRO 43 2HG PRO 43 1.739 12.709 0.847 301 HD2 PRO 43 1HD PRO 43 4.112 13.966 0.496 302 HD3 PRO 43 2HD PRO 43 3.501 12.745 -0.639 303 H SER 44 H SER 44 -0.422 16.464 -1.141 304 HA SER 44 HA SER 44 0.764 19.056 -0.664 305 HB2 SER 44 1HB SER 44 -1.484 19.919 -0.795 306 HB3 SER 44 2HB SER 44 -1.286 18.724 -2.077 307 HG SER 44 HG SER 44 -2.899 17.703 -1.229 308 H SER 45 H SER 45 -0.378 20.420 1.116 309 HA SER 45 HA SER 45 -0.329 20.855 3.362 310 HB2 SER 45 1HB SER 45 -2.607 19.978 3.090 311 HB3 SER 45 2HB SER 45 -2.016 18.340 3.369 312 HG SER 45 HG SER 45 -2.325 18.749 5.397 313 H GLY 46 H GLY 46 1.985 19.553 2.556 314 HA2 GLY 46 1HA GLY 46 3.815 18.495 3.451 315 HA3 GLY 46 2HA GLY 46 3.018 18.649 5.010 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -38.052 8.457 -23.142 2 HA2 GLY 1 1HA GLY 1 -35.780 9.105 -23.487 3 HA3 GLY 1 2HA GLY 1 -36.235 10.766 -23.139 4 H SER 2 H SER 2 -34.251 8.684 -22.002 5 HA SER 2 HA SER 2 -34.612 9.517 -19.242 6 HB2 SER 2 1HB SER 2 -35.813 7.412 -19.241 7 HB3 SER 2 2HB SER 2 -34.470 6.603 -20.048 8 HG SER 2 HG SER 2 -33.792 7.895 -17.714 9 H SER 3 H SER 3 -32.716 9.914 -18.254 10 HA SER 3 HA SER 3 -30.304 9.723 -19.800 11 HB2 SER 3 1HB SER 3 -30.858 11.651 -18.287 12 HB3 SER 3 2HB SER 3 -30.597 10.577 -16.912 13 HG SER 3 HG SER 3 -28.450 10.262 -17.713 14 H GLY 4 H GLY 4 -28.507 8.464 -19.424 15 HA2 GLY 4 1HA GLY 4 -28.966 6.149 -17.659 16 HA3 GLY 4 2HA GLY 4 -27.934 6.145 -19.081 17 H SER 5 H SER 5 -27.356 5.385 -16.292 18 HA SER 5 HA SER 5 -24.967 7.049 -15.965 19 HB2 SER 5 1HB SER 5 -26.950 6.392 -13.778 20 HB3 SER 5 2HB SER 5 -25.322 6.996 -13.468 21 HG SER 5 HG SER 5 -25.973 8.787 -14.923 22 H SER 6 H SER 6 -23.384 5.634 -16.319 23 HA SER 6 HA SER 6 -23.651 2.869 -15.449 24 HB2 SER 6 1HB SER 6 -21.848 4.351 -17.304 25 HB3 SER 6 2HB SER 6 -21.225 2.880 -16.557 26 HG SER 6 HG SER 6 -23.675 3.059 -17.979 27 H GLY 7 H GLY 7 -22.244 1.837 -14.021 28 HA2 GLY 7 1HA GLY 7 -19.974 2.458 -12.826 29 HA3 GLY 7 2HA GLY 7 -21.031 3.635 -12.061 30 H THR 8 H THR 8 -21.110 0.153 -12.838 31 HA THR 8 HA THR 8 -21.934 -0.339 -10.053 32 HB THR 8 HB THR 8 -22.960 -1.854 -12.460 33 HG1 THR 8 HG1 THR 8 -24.446 -0.117 -10.772 34 HG21 THR 8 3HG2 THR 8 -24.549 -2.809 -10.808 35 HG22 THR 8 1HG2 THR 8 -23.658 -1.992 -9.525 36 HG23 THR 8 2HG2 THR 8 -22.872 -3.245 -10.486 37 H GLY 9 H GLY 9 -21.267 -2.327 -9.136 38 HA2 GLY 9 1HA GLY 9 -20.017 -4.469 -10.192 39 HA3 GLY 9 2HA GLY 9 -18.738 -3.264 -10.192 40 H LYS 10 H LYS 10 -17.972 -5.220 -8.784 41 HA LYS 10 HA LYS 10 -18.182 -4.321 -6.030 42 HB2 LYS 10 1HB LYS 10 -18.845 -6.399 -5.100 43 HB3 LYS 10 2HB LYS 10 -19.980 -6.066 -6.402 44 HG2 LYS 10 1HG LYS 10 -19.040 -7.691 -7.794 45 HG3 LYS 10 2HG LYS 10 -17.563 -7.787 -6.833 46 HD2 LYS 10 1HD LYS 10 -20.244 -8.538 -5.702 47 HD3 LYS 10 2HD LYS 10 -19.256 -9.693 -6.600 48 HE2 LYS 10 1HE LYS 10 -18.266 -8.154 -4.207 49 HE3 LYS 10 2HE LYS 10 -18.987 -9.760 -4.102 50 HZ1 LYS 10 3HZ LYS 10 -17.193 -10.732 -5.085 51 HZ2 LYS 10 1HZ LYS 10 -16.412 -9.443 -4.316 52 HZ3 LYS 10 2HZ LYS 10 -16.765 -9.353 -5.968 53 H LYS 11 H LYS 11 -16.501 -5.167 -4.665 54 HA LYS 11 HA LYS 11 -14.443 -6.839 -5.748 55 HB2 LYS 11 1HB LYS 11 -12.657 -5.054 -5.525 56 HB3 LYS 11 2HB LYS 11 -13.722 -4.908 -6.917 57 HG2 LYS 11 1HG LYS 11 -13.649 -2.742 -6.181 58 HG3 LYS 11 2HG LYS 11 -15.087 -3.333 -5.345 59 HD2 LYS 11 1HD LYS 11 -13.422 -3.924 -3.441 60 HD3 LYS 11 2HD LYS 11 -12.355 -2.777 -4.254 61 HE2 LYS 11 1HE LYS 11 -13.700 -0.981 -3.778 62 HE3 LYS 11 2HE LYS 11 -15.163 -1.961 -3.694 63 HZ1 LYS 11 3HZ LYS 11 -14.942 -1.954 -1.505 64 HZ2 LYS 11 1HZ LYS 11 -13.463 -1.139 -1.597 65 HZ3 LYS 11 2HZ LYS 11 -13.502 -2.828 -1.652 66 HA PRO 12 HA PRO 12 -13.660 -7.525 -1.483 67 HB2 PRO 12 1HB PRO 12 -11.033 -8.206 -1.524 68 HB3 PRO 12 2HB PRO 12 -12.310 -9.267 -2.130 69 HG2 PRO 12 1HG PRO 12 -10.475 -7.454 -3.648 70 HG3 PRO 12 2HG PRO 12 -10.977 -9.111 -4.029 71 HD2 PRO 12 1HD PRO 12 -12.080 -6.944 -5.220 72 HD3 PRO 12 2HD PRO 12 -12.998 -8.431 -4.905 73 H TYR 13 H TYR 13 -10.981 -5.721 -3.006 74 HA TYR 13 HA TYR 13 -11.241 -3.588 -1.086 75 HB2 TYR 13 1HB TYR 13 -8.589 -5.015 -1.159 76 HB3 TYR 13 2HB TYR 13 -9.133 -3.783 -0.027 77 HD1 TYR 13 HD1 TYR 13 -10.790 -4.361 1.726 78 HD2 TYR 13 HD2 TYR 13 -9.092 -7.323 -0.814 79 HE1 TYR 13 HE1 TYR 13 -11.527 -6.114 3.287 80 HE2 TYR 13 HE2 TYR 13 -9.824 -9.083 0.740 81 HH TYR 13 HH TYR 13 -11.493 -8.282 3.770 82 H LYS 14 H LYS 14 -10.818 -1.741 -2.092 83 HA LYS 14 HA LYS 14 -8.917 -1.754 -4.340 84 HB2 LYS 14 1HB LYS 14 -11.086 -1.687 -5.347 85 HB3 LYS 14 2HB LYS 14 -11.642 -0.462 -4.213 86 HG2 LYS 14 1HG LYS 14 -9.681 0.936 -5.262 87 HG3 LYS 14 2HG LYS 14 -9.903 -0.184 -6.609 88 HD2 LYS 14 1HD LYS 14 -12.451 0.450 -6.219 89 HD3 LYS 14 2HD LYS 14 -11.724 1.914 -5.551 90 HE2 LYS 14 1HE LYS 14 -11.953 2.513 -7.755 91 HE3 LYS 14 2HE LYS 14 -10.319 1.852 -7.762 92 HZ1 LYS 14 3HZ LYS 14 -11.245 0.794 -9.550 93 HZ2 LYS 14 1HZ LYS 14 -12.789 0.709 -8.863 94 HZ3 LYS 14 2HZ LYS 14 -11.571 -0.340 -8.337 95 H CYS 15 H CYS 15 -7.659 0.080 -4.599 96 HA CYS 15 HA CYS 15 -7.285 1.658 -2.222 97 HB2 CYS 15 1HB CYS 15 -5.469 0.761 -3.829 98 HB3 CYS 15 2HB CYS 15 -5.891 2.137 -4.844 99 H ASN 16 H ASN 16 -8.240 3.527 -1.792 100 HA ASN 16 HA ASN 16 -9.853 4.842 -3.788 101 HB2 ASN 16 1HB ASN 16 -10.390 4.550 -1.275 102 HB3 ASN 16 2HB ASN 16 -9.306 5.917 -1.031 103 HD21 ASN 16 1HD2 ASN 16 -10.920 7.257 -0.288 104 HD22 ASN 16 2HD2 ASN 16 -12.149 7.898 -1.319 105 H GLU 17 H GLU 17 -6.662 4.870 -3.305 106 HA GLU 17 HA GLU 17 -6.290 7.755 -3.614 107 HB2 GLU 17 1HB GLU 17 -4.391 5.478 -3.080 108 HB3 GLU 17 2HB GLU 17 -3.821 7.084 -3.514 109 HG2 GLU 17 1HG GLU 17 -5.700 6.694 -1.221 110 HG3 GLU 17 2HG GLU 17 -3.966 6.442 -1.030 111 H CYS 18 H CYS 18 -5.419 4.717 -5.246 112 HA CYS 18 HA CYS 18 -5.002 6.263 -7.720 113 HB2 CYS 18 1HB CYS 18 -3.601 4.339 -8.466 114 HB3 CYS 18 2HB CYS 18 -2.961 5.162 -7.047 115 H GLY 19 H GLY 19 -6.383 3.303 -6.361 116 HA2 GLY 19 1HA GLY 19 -8.598 2.628 -7.086 117 HA3 GLY 19 2HA GLY 19 -8.183 3.196 -8.697 118 H LYS 20 H LYS 20 -6.311 1.150 -6.487 119 HA LYS 20 HA LYS 20 -6.291 -0.920 -8.581 120 HB2 LYS 20 1HB LYS 20 -4.253 0.041 -6.639 121 HB3 LYS 20 2HB LYS 20 -4.247 -1.673 -7.031 122 HG2 LYS 20 1HG LYS 20 -3.658 -1.312 -9.223 123 HG3 LYS 20 2HG LYS 20 -4.311 0.328 -9.239 124 HD2 LYS 20 1HD LYS 20 -2.427 0.760 -7.465 125 HD3 LYS 20 2HD LYS 20 -1.698 -0.670 -8.198 126 HE2 LYS 20 1HE LYS 20 -0.864 1.348 -9.261 127 HE3 LYS 20 2HE LYS 20 -1.827 0.407 -10.399 128 HZ1 LYS 20 3HZ LYS 20 -2.152 3.061 -9.772 129 HZ2 LYS 20 1HZ LYS 20 -3.434 2.283 -8.989 130 HZ3 LYS 20 2HZ LYS 20 -3.222 2.095 -10.656 131 H VAL 21 H VAL 21 -7.287 -2.780 -8.180 132 HA VAL 21 HA VAL 21 -8.286 -3.299 -5.488 133 HB VAL 21 HB VAL 21 -8.866 -4.846 -8.014 134 HG11 VAL 21 1HG1 VAL 21 -10.488 -5.973 -6.852 135 HG12 VAL 21 2HG1 VAL 21 -9.290 -5.741 -5.578 136 HG13 VAL 21 3HG1 VAL 21 -10.697 -4.680 -5.672 137 HG21 VAL 21 3HG2 VAL 21 -9.939 -2.291 -6.993 138 HG22 VAL 21 1HG2 VAL 21 -9.832 -2.900 -8.645 139 HG23 VAL 21 2HG2 VAL 21 -11.123 -3.458 -7.580 140 H PHE 22 H PHE 22 -7.733 -5.037 -4.256 141 HA PHE 22 HA PHE 22 -5.716 -6.882 -5.348 142 HB2 PHE 22 1HB PHE 22 -5.707 -5.764 -2.538 143 HB3 PHE 22 2HB PHE 22 -4.500 -6.828 -3.254 144 HD1 PHE 22 HD2 PHE 22 -5.989 -3.445 -3.509 145 HD2 PHE 22 HD1 PHE 22 -2.674 -5.956 -4.416 146 HE1 PHE 22 HE2 PHE 22 -4.711 -1.481 -4.260 147 HE2 PHE 22 HE1 PHE 22 -1.390 -3.997 -5.168 148 HZ PHE 22 HZ PHE 22 -2.409 -1.756 -5.092 149 H THR 23 H THR 23 -6.563 -8.848 -5.398 150 HA THR 23 HA THR 23 -8.854 -9.821 -4.415 151 HB THR 23 HB THR 23 -7.857 -12.080 -4.332 152 HG1 THR 23 HG1 THR 23 -5.463 -10.572 -4.419 153 HG21 THR 23 3HG2 THR 23 -7.487 -10.208 -6.584 154 HG22 THR 23 1HG2 THR 23 -8.358 -11.739 -6.514 155 HG23 THR 23 2HG2 THR 23 -6.603 -11.730 -6.695 156 H GLN 24 H GLN 24 -5.889 -9.422 -2.560 157 HA GLN 24 HA GLN 24 -7.376 -10.186 -0.134 158 HB2 GLN 24 1HB GLN 24 -4.411 -10.382 -0.687 159 HB3 GLN 24 2HB GLN 24 -5.164 -10.724 0.865 160 HG2 GLN 24 1HG GLN 24 -6.401 -12.562 -0.102 161 HG3 GLN 24 2HG GLN 24 -5.746 -12.192 -1.696 162 HE21 GLN 24 1HE2 GLN 24 -3.893 -13.108 -2.287 163 HE22 GLN 24 2HE2 GLN 24 -2.850 -14.013 -1.248 164 H ASN 25 H ASN 25 -7.444 -8.787 1.549 165 HA ASN 25 HA ASN 25 -7.035 -6.065 1.135 166 HB2 ASN 25 1HB ASN 25 -7.476 -5.782 3.505 167 HB3 ASN 25 2HB ASN 25 -8.544 -7.024 2.858 168 HD21 ASN 25 1HD2 ASN 25 -7.400 -6.430 5.582 169 HD22 ASN 25 2HD2 ASN 25 -6.743 -7.941 6.104 170 H SER 26 H SER 26 -5.027 -8.399 2.909 171 HA SER 26 HA SER 26 -3.091 -6.809 3.962 172 HB2 SER 26 1HB SER 26 -2.642 -9.447 2.544 173 HB3 SER 26 2HB SER 26 -1.521 -8.696 3.679 174 HG SER 26 HG SER 26 -4.127 -9.032 4.566 175 H HIS 27 H HIS 27 -3.226 -7.973 0.611 176 HA HIS 27 HA HIS 27 -0.824 -6.883 -0.291 177 HB2 HIS 27 1HB HIS 27 -3.372 -7.721 -1.586 178 HB3 HIS 27 2HB HIS 27 -2.253 -6.749 -2.537 179 HD2 HIS 27 HD2 HIS 27 -2.012 -10.139 -0.496 180 HE1 HIS 27 HE1 HIS 27 0.579 -10.290 -3.851 181 HE2 HIS 27 HE2 HIS 27 -0.402 -11.577 -1.921 182 H LEU 28 H LEU 28 -4.065 -5.456 -0.165 183 HA LEU 28 HA LEU 28 -3.407 -3.029 -1.436 184 HB2 LEU 28 1HB LEU 28 -5.686 -3.566 -1.291 185 HB3 LEU 28 2HB LEU 28 -5.594 -3.850 0.446 186 HG LEU 28 HG LEU 28 -5.291 -1.421 0.792 187 HD11 LEU 28 1HD1 LEU 28 -5.402 0.141 -0.923 188 HD12 LEU 28 2HD1 LEU 28 -6.073 -1.018 -2.070 189 HD13 LEU 28 3HD1 LEU 28 -4.378 -1.127 -1.597 190 HD21 LEU 28 3HD2 LEU 28 -7.544 -0.935 0.681 191 HD22 LEU 28 1HD2 LEU 28 -7.552 -2.698 0.632 192 HD23 LEU 28 2HD2 LEU 28 -7.759 -1.774 -0.856 193 H ALA 29 H ALA 29 -3.864 -3.715 2.037 194 HA ALA 29 HA ALA 29 -3.183 -1.311 3.123 195 HB1 ALA 29 3HB ALA 29 -1.916 -3.493 4.572 196 HB2 ALA 29 1HB ALA 29 -3.223 -2.414 5.061 197 HB3 ALA 29 2HB ALA 29 -3.578 -3.851 4.101 198 H ARG 30 H ARG 30 -0.908 -3.888 2.203 199 HA ARG 30 HA ARG 30 1.418 -2.432 2.924 200 HB2 ARG 30 1HB ARG 30 2.652 -4.171 1.781 201 HB3 ARG 30 2HB ARG 30 1.347 -4.899 2.709 202 HG2 ARG 30 1HG ARG 30 0.094 -5.375 0.790 203 HG3 ARG 30 2HG ARG 30 1.050 -4.277 -0.208 204 HD2 ARG 30 1HD ARG 30 2.293 -6.665 1.113 205 HD3 ARG 30 2HD ARG 30 1.456 -6.809 -0.432 206 HE ARG 30 HE ARG 30 3.478 -4.748 -0.329 207 HH11 ARG 30 1HH1 ARG 30 2.759 -8.077 -1.051 208 HH12 ARG 30 2HH1 ARG 30 4.120 -8.278 -2.105 209 HH21 ARG 30 1HH2 ARG 30 5.272 -5.000 -1.715 210 HH22 ARG 30 2HH2 ARG 30 5.549 -6.527 -2.481 211 H HIS 31 H HIS 31 -0.525 -2.614 0.031 212 HA HIS 31 HA HIS 31 1.350 -1.464 -1.755 213 HB2 HIS 31 1HB HIS 31 -0.333 -2.459 -2.946 214 HB3 HIS 31 2HB HIS 31 -1.571 -2.012 -1.775 215 HD1 HIS 31 HD1 HIS 31 0.326 -0.636 -4.719 216 HD2 HIS 31 HD2 HIS 31 -2.922 0.339 -2.318 217 HE1 HIS 31 HE1 HIS 31 -0.795 1.304 -5.860 218 H ARG 32 H ARG 32 -1.415 -0.058 -0.001 219 HA ARG 32 HA ARG 32 -1.399 2.514 -0.795 220 HB2 ARG 32 1HB ARG 32 -1.529 1.613 2.089 221 HB3 ARG 32 2HB ARG 32 -2.095 3.160 1.475 222 HG2 ARG 32 1HG ARG 32 -3.716 1.946 0.047 223 HG3 ARG 32 2HG ARG 32 -3.199 0.441 0.810 224 HD2 ARG 32 1HD ARG 32 -5.262 1.388 1.802 225 HD3 ARG 32 2HD ARG 32 -3.945 1.214 2.960 226 HE ARG 32 HE ARG 32 -5.115 3.684 2.002 227 HH11 ARG 32 1HH1 ARG 32 -2.457 2.154 3.650 228 HH12 ARG 32 2HH1 ARG 32 -1.960 3.599 4.465 229 HH21 ARG 32 1HH2 ARG 32 -4.470 5.594 3.069 230 HH22 ARG 32 2HH2 ARG 32 -3.106 5.555 4.135 231 H GLY 33 H GLY 33 1.143 0.920 0.932 232 HA2 GLY 33 1HA GLY 33 2.483 3.072 2.086 233 HA3 GLY 33 2HA GLY 33 3.255 1.601 1.514 234 H ILE 34 H ILE 34 2.747 1.787 -1.211 235 HA ILE 34 HA ILE 34 4.863 3.270 -2.152 236 HB ILE 34 HB ILE 34 3.983 3.005 -4.372 237 HG12 ILE 34 1HG1 ILE 34 1.378 1.925 -3.402 238 HG13 ILE 34 2HG1 ILE 34 1.583 3.673 -3.439 239 HG21 ILE 34 1HG2 ILE 34 3.086 0.595 -2.810 240 HG22 ILE 34 2HG2 ILE 34 3.726 0.648 -4.451 241 HG23 ILE 34 3HG2 ILE 34 4.782 0.997 -3.082 242 HD11 ILE 34 3HD1 ILE 34 1.125 1.806 -5.603 243 HD12 ILE 34 1HD1 ILE 34 0.916 3.556 -5.551 244 HD13 ILE 34 2HD1 ILE 34 2.501 2.867 -5.906 245 H HIS 35 H HIS 35 1.795 4.396 -1.150 246 HA HIS 35 HA HIS 35 1.893 6.857 -2.668 247 HB2 HIS 35 1HB HIS 35 0.047 5.920 -0.464 248 HB3 HIS 35 2HB HIS 35 -0.129 7.450 -1.319 249 HD1 HIS 35 HD1 HIS 35 0.173 6.667 -4.195 250 HD2 HIS 35 HD2 HIS 35 -1.905 4.338 -1.453 251 HE1 HIS 35 HE1 HIS 35 -1.397 5.259 -5.563 252 H THR 36 H THR 36 1.818 6.130 0.826 253 HA THR 36 HA THR 36 2.467 8.625 1.786 254 HB THR 36 HB THR 36 3.616 7.319 3.705 255 HG1 THR 36 HG1 THR 36 3.410 5.381 1.936 256 HG21 THR 36 3HG2 THR 36 1.174 8.154 3.487 257 HG22 THR 36 1HG2 THR 36 1.551 6.950 4.718 258 HG23 THR 36 2HG2 THR 36 0.788 6.457 3.206 259 H GLY 37 H GLY 37 4.670 8.916 3.114 260 HA2 GLY 37 1HA GLY 37 6.950 8.211 1.406 261 HA3 GLY 37 2HA GLY 37 6.627 9.912 1.705 262 H GLU 38 H GLU 38 8.867 9.792 2.559 263 HA GLU 38 HA GLU 38 8.817 9.730 5.399 264 HB2 GLU 38 1HB GLU 38 10.529 7.967 5.719 265 HB3 GLU 38 2HB GLU 38 9.004 7.337 5.111 266 HG2 GLU 38 1HG GLU 38 10.048 7.468 2.800 267 HG3 GLU 38 2HG GLU 38 11.583 7.719 3.629 268 H LYS 39 H LYS 39 10.358 11.042 6.200 269 HA LYS 39 HA LYS 39 12.399 12.014 4.314 270 HB2 LYS 39 1HB LYS 39 12.470 14.014 5.891 271 HB3 LYS 39 2HB LYS 39 11.018 13.830 4.915 272 HG2 LYS 39 1HG LYS 39 9.767 13.037 6.761 273 HG3 LYS 39 2HG LYS 39 11.218 12.848 7.749 274 HD2 LYS 39 1HD LYS 39 11.468 15.428 7.278 275 HD3 LYS 39 2HD LYS 39 9.727 15.320 7.004 276 HE2 LYS 39 1HE LYS 39 11.097 14.289 9.481 277 HE3 LYS 39 2HE LYS 39 10.412 15.908 9.348 278 HZ1 LYS 39 3HZ LYS 39 8.609 14.870 10.175 279 HZ2 LYS 39 1HZ LYS 39 9.072 13.343 9.612 280 HZ3 LYS 39 2HZ LYS 39 8.345 14.448 8.558 281 HA PRO 40 HA PRO 40 14.715 9.674 7.579 282 HB2 PRO 40 1HB PRO 40 16.440 8.506 5.839 283 HB3 PRO 40 2HB PRO 40 14.860 7.818 6.232 284 HG2 PRO 40 1HG PRO 40 15.680 9.445 3.856 285 HG3 PRO 40 2HG PRO 40 14.662 7.994 3.922 286 HD2 PRO 40 1HD PRO 40 13.631 10.489 3.711 287 HD3 PRO 40 2HD PRO 40 12.795 9.180 4.571 288 H SER 41 H SER 41 15.998 11.309 4.688 289 HA SER 41 HA SER 41 17.576 13.103 6.240 290 HB2 SER 41 1HB SER 41 18.989 11.086 6.434 291 HB3 SER 41 2HB SER 41 19.070 10.983 4.676 292 HG SER 41 HG SER 41 20.789 12.175 6.044 293 H GLY 42 H GLY 42 17.289 14.907 5.116 294 HA2 GLY 42 1HA GLY 42 18.312 15.365 2.570 295 HA3 GLY 42 2HA GLY 42 16.615 14.961 2.364 296 HA PRO 43 HA PRO 43 16.865 19.066 4.951 297 HB2 PRO 43 1HB PRO 43 19.247 20.362 4.833 298 HB3 PRO 43 2HB PRO 43 18.853 19.189 6.095 299 HG2 PRO 43 1HG PRO 43 20.464 18.817 3.600 300 HG3 PRO 43 2HG PRO 43 20.791 18.229 5.240 301 HD2 PRO 43 1HD PRO 43 19.739 16.648 3.310 302 HD3 PRO 43 2HD PRO 43 19.340 16.451 5.028 303 H SER 44 H SER 44 17.773 21.491 4.209 304 HA SER 44 HA SER 44 17.476 23.129 2.658 305 HB2 SER 44 1HB SER 44 18.437 21.077 0.655 306 HB3 SER 44 2HB SER 44 18.526 22.832 0.511 307 HG SER 44 HG SER 44 20.235 21.125 1.722 308 H SER 45 H SER 45 15.159 21.894 3.307 309 HA SER 45 HA SER 45 13.652 20.733 1.287 310 HB2 SER 45 1HB SER 45 11.714 21.298 2.571 311 HB3 SER 45 2HB SER 45 13.011 20.986 3.724 312 HG SER 45 HG SER 45 11.879 23.447 2.947 313 H GLY 46 H GLY 46 11.669 21.825 0.270 314 HA2 GLY 46 1HA GLY 46 12.127 24.598 -0.507 315 HA3 GLY 46 2HA GLY 46 12.232 23.403 -1.791 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -24.026 15.543 -5.202 2 HA2 GLY 1 1HA GLY 1 -24.470 15.854 -7.838 3 HA3 GLY 1 2HA GLY 1 -23.946 14.179 -7.759 4 H SER 2 H SER 2 -26.588 15.667 -8.304 5 HA SER 2 HA SER 2 -28.389 14.909 -6.251 6 HB2 SER 2 1HB SER 2 -28.649 15.864 -9.067 7 HB3 SER 2 2HB SER 2 -30.056 15.119 -8.308 8 HG SER 2 HG SER 2 -28.818 17.537 -7.774 9 H SER 3 H SER 3 -29.756 13.157 -6.073 10 HA SER 3 HA SER 3 -28.917 10.652 -6.580 11 HB2 SER 3 1HB SER 3 -30.893 11.119 -5.219 12 HB3 SER 3 2HB SER 3 -31.802 11.572 -6.661 13 HG SER 3 HG SER 3 -30.665 9.012 -6.201 14 H GLY 4 H GLY 4 -28.418 9.525 -8.333 15 HA2 GLY 4 1HA GLY 4 -30.073 9.776 -10.731 16 HA3 GLY 4 2HA GLY 4 -28.366 10.158 -10.892 17 H SER 5 H SER 5 -27.354 8.545 -11.873 18 HA SER 5 HA SER 5 -28.107 5.786 -11.166 19 HB2 SER 5 1HB SER 5 -28.533 6.308 -13.520 20 HB3 SER 5 2HB SER 5 -26.860 6.829 -13.722 21 HG SER 5 HG SER 5 -27.610 4.517 -14.260 22 H SER 6 H SER 6 -26.545 4.336 -10.583 23 HA SER 6 HA SER 6 -23.782 5.342 -10.421 24 HB2 SER 6 1HB SER 6 -23.518 4.478 -8.222 25 HB3 SER 6 2HB SER 6 -25.051 5.349 -8.207 26 HG SER 6 HG SER 6 -25.993 3.551 -7.706 27 H GLY 7 H GLY 7 -22.128 3.793 -10.602 28 HA2 GLY 7 1HA GLY 7 -22.735 1.008 -10.980 29 HA3 GLY 7 2HA GLY 7 -22.376 1.837 -12.488 30 H THR 8 H THR 8 -21.080 1.206 -9.248 31 HA THR 8 HA THR 8 -18.466 0.708 -10.377 32 HB THR 8 HB THR 8 -18.850 2.970 -8.406 33 HG1 THR 8 HG1 THR 8 -17.809 2.975 -11.062 34 HG21 THR 8 3HG2 THR 8 -16.269 3.131 -9.092 35 HG22 THR 8 1HG2 THR 8 -16.482 1.386 -9.225 36 HG23 THR 8 2HG2 THR 8 -16.827 2.203 -7.701 37 H GLY 9 H GLY 9 -17.298 -0.705 -9.167 38 HA2 GLY 9 1HA GLY 9 -16.804 -1.290 -6.727 39 HA3 GLY 9 2HA GLY 9 -18.537 -1.567 -6.634 40 H LYS 10 H LYS 10 -18.709 -3.708 -6.346 41 HA LYS 10 HA LYS 10 -18.667 -5.937 -6.797 42 HB2 LYS 10 1HB LYS 10 -18.268 -4.699 -9.472 43 HB3 LYS 10 2HB LYS 10 -17.932 -6.419 -9.322 44 HG2 LYS 10 1HG LYS 10 -20.171 -6.229 -10.035 45 HG3 LYS 10 2HG LYS 10 -20.228 -6.671 -8.327 46 HD2 LYS 10 1HD LYS 10 -21.812 -4.978 -8.481 47 HD3 LYS 10 2HD LYS 10 -20.376 -4.122 -7.913 48 HE2 LYS 10 1HE LYS 10 -19.946 -3.785 -10.477 49 HE3 LYS 10 2HE LYS 10 -21.679 -4.084 -10.598 50 HZ1 LYS 10 3HZ LYS 10 -21.487 -2.292 -8.570 51 HZ2 LYS 10 1HZ LYS 10 -21.890 -1.923 -10.171 52 HZ3 LYS 10 2HZ LYS 10 -20.291 -1.763 -9.643 53 H LYS 11 H LYS 11 -16.436 -4.917 -5.538 54 HA LYS 11 HA LYS 11 -14.423 -6.845 -6.382 55 HB2 LYS 11 1HB LYS 11 -12.653 -4.998 -5.976 56 HB3 LYS 11 2HB LYS 11 -13.490 -5.042 -7.522 57 HG2 LYS 11 1HG LYS 11 -15.129 -3.383 -6.304 58 HG3 LYS 11 2HG LYS 11 -13.711 -3.086 -5.296 59 HD2 LYS 11 1HD LYS 11 -12.527 -2.134 -7.005 60 HD3 LYS 11 2HD LYS 11 -13.346 -3.085 -8.246 61 HE2 LYS 11 1HE LYS 11 -15.338 -1.723 -8.012 62 HE3 LYS 11 2HE LYS 11 -14.593 -0.816 -6.697 63 HZ1 LYS 11 3HZ LYS 11 -13.955 -0.755 -9.575 64 HZ2 LYS 11 1HZ LYS 11 -12.797 -0.288 -8.433 65 HZ3 LYS 11 2HZ LYS 11 -14.272 0.535 -8.527 66 HA PRO 12 HA PRO 12 -13.878 -7.457 -2.070 67 HB2 PRO 12 1HB PRO 12 -11.245 -8.104 -1.932 68 HB3 PRO 12 2HB PRO 12 -12.467 -9.190 -2.605 69 HG2 PRO 12 1HG PRO 12 -10.560 -7.371 -4.026 70 HG3 PRO 12 2HG PRO 12 -11.016 -9.040 -4.416 71 HD2 PRO 12 1HD PRO 12 -12.067 -6.904 -5.705 72 HD3 PRO 12 2HD PRO 12 -12.984 -8.399 -5.430 73 H TYR 13 H TYR 13 -11.120 -5.645 -3.437 74 HA TYR 13 HA TYR 13 -11.525 -3.513 -1.525 75 HB2 TYR 13 1HB TYR 13 -8.857 -4.925 -1.544 76 HB3 TYR 13 2HB TYR 13 -9.386 -3.639 -0.465 77 HD1 TYR 13 HD1 TYR 13 -10.986 -4.114 1.343 78 HD2 TYR 13 HD2 TYR 13 -9.473 -7.214 -1.149 79 HE1 TYR 13 HE1 TYR 13 -11.757 -5.790 2.969 80 HE2 TYR 13 HE2 TYR 13 -10.241 -8.898 0.471 81 HH TYR 13 HH TYR 13 -11.446 -9.256 2.323 82 H LYS 14 H LYS 14 -10.975 -1.606 -2.383 83 HA LYS 14 HA LYS 14 -9.160 -1.589 -4.702 84 HB2 LYS 14 1HB LYS 14 -11.424 -1.351 -5.533 85 HB3 LYS 14 2HB LYS 14 -11.751 -0.067 -4.377 86 HG2 LYS 14 1HG LYS 14 -9.751 1.118 -5.565 87 HG3 LYS 14 2HG LYS 14 -10.134 0.001 -6.877 88 HD2 LYS 14 1HD LYS 14 -12.554 0.821 -6.591 89 HD3 LYS 14 2HD LYS 14 -11.846 2.153 -5.674 90 HE2 LYS 14 1HE LYS 14 -10.468 2.753 -7.594 91 HE3 LYS 14 2HE LYS 14 -11.133 1.400 -8.508 92 HZ1 LYS 14 3HZ LYS 14 -12.184 3.998 -8.183 93 HZ2 LYS 14 1HZ LYS 14 -13.289 2.871 -7.576 94 HZ3 LYS 14 2HZ LYS 14 -12.743 2.744 -9.171 95 H CYS 15 H CYS 15 -7.694 0.050 -4.801 96 HA CYS 15 HA CYS 15 -7.269 1.564 -2.385 97 HB2 CYS 15 1HB CYS 15 -5.464 0.477 -3.855 98 HB3 CYS 15 2HB CYS 15 -5.696 1.845 -4.939 99 H ASN 16 H ASN 16 -8.228 3.439 -2.005 100 HA ASN 16 HA ASN 16 -9.499 4.950 -4.081 101 HB2 ASN 16 1HB ASN 16 -10.196 4.695 -1.589 102 HB3 ASN 16 2HB ASN 16 -9.031 5.983 -1.298 103 HD21 ASN 16 1HD2 ASN 16 -12.191 5.310 -1.955 104 HD22 ASN 16 2HD2 ASN 16 -12.690 6.852 -2.554 105 H GLU 17 H GLU 17 -6.370 4.642 -3.493 106 HA GLU 17 HA GLU 17 -5.662 7.473 -3.639 107 HB2 GLU 17 1HB GLU 17 -3.967 4.988 -3.356 108 HB3 GLU 17 2HB GLU 17 -3.314 6.616 -3.473 109 HG2 GLU 17 1HG GLU 17 -5.334 6.009 -1.371 110 HG3 GLU 17 2HG GLU 17 -3.667 5.479 -1.151 111 H CYS 18 H CYS 18 -5.031 4.464 -5.438 112 HA CYS 18 HA CYS 18 -4.410 6.100 -7.805 113 HB2 CYS 18 1HB CYS 18 -3.320 3.993 -8.662 114 HB3 CYS 18 2HB CYS 18 -2.546 4.710 -7.253 115 H GLY 19 H GLY 19 -6.169 3.219 -6.715 116 HA2 GLY 19 1HA GLY 19 -8.486 3.022 -7.538 117 HA3 GLY 19 2HA GLY 19 -7.871 3.488 -9.117 118 H LYS 20 H LYS 20 -6.044 1.324 -7.112 119 HA LYS 20 HA LYS 20 -6.402 -0.779 -9.096 120 HB2 LYS 20 1HB LYS 20 -4.403 -0.172 -6.976 121 HB3 LYS 20 2HB LYS 20 -4.629 -1.859 -7.418 122 HG2 LYS 20 1HG LYS 20 -3.803 -1.560 -9.537 123 HG3 LYS 20 2HG LYS 20 -4.212 0.157 -9.570 124 HD2 LYS 20 1HD LYS 20 -2.436 0.519 -7.837 125 HD3 LYS 20 2HD LYS 20 -1.959 -1.166 -8.065 126 HE2 LYS 20 1HE LYS 20 -1.280 -0.783 -10.281 127 HE3 LYS 20 2HE LYS 20 -2.129 0.759 -10.364 128 HZ1 LYS 20 3HZ LYS 20 -0.249 0.840 -8.270 129 HZ2 LYS 20 1HZ LYS 20 -0.310 1.784 -9.673 130 HZ3 LYS 20 2HZ LYS 20 0.527 0.315 -9.679 131 H VAL 21 H VAL 21 -6.290 -3.096 -8.029 132 HA VAL 21 HA VAL 21 -8.055 -3.255 -5.701 133 HB VAL 21 HB VAL 21 -8.633 -4.916 -8.143 134 HG11 VAL 21 1HG1 VAL 21 -10.628 -4.187 -6.059 135 HG12 VAL 21 2HG1 VAL 21 -10.490 -5.655 -7.027 136 HG13 VAL 21 3HG1 VAL 21 -9.400 -5.390 -5.665 137 HG21 VAL 21 3HG2 VAL 21 -9.872 -2.276 -7.370 138 HG22 VAL 21 1HG2 VAL 21 -8.936 -2.622 -8.825 139 HG23 VAL 21 2HG2 VAL 21 -10.515 -3.371 -8.594 140 H PHE 22 H PHE 22 -7.685 -4.992 -4.407 141 HA PHE 22 HA PHE 22 -5.798 -7.033 -5.370 142 HB2 PHE 22 1HB PHE 22 -5.746 -5.872 -2.582 143 HB3 PHE 22 2HB PHE 22 -4.584 -6.981 -3.302 144 HD1 PHE 22 HD2 PHE 22 -5.953 -3.545 -3.607 145 HD2 PHE 22 HD1 PHE 22 -2.695 -6.171 -4.386 146 HE1 PHE 22 HE2 PHE 22 -4.591 -1.633 -4.343 147 HE2 PHE 22 HE1 PHE 22 -1.328 -4.263 -5.123 148 HZ PHE 22 HZ PHE 22 -2.276 -1.990 -5.103 149 H THR 23 H THR 23 -6.654 -8.988 -5.242 150 HA THR 23 HA THR 23 -9.109 -9.668 -4.253 151 HB THR 23 HB THR 23 -7.818 -11.169 -5.685 152 HG1 THR 23 HG1 THR 23 -8.937 -12.023 -3.276 153 HG21 THR 23 3HG2 THR 23 -6.026 -11.280 -3.296 154 HG22 THR 23 1HG2 THR 23 -5.610 -11.128 -5.002 155 HG23 THR 23 2HG2 THR 23 -6.142 -12.682 -4.359 156 H GLN 24 H GLN 24 -6.211 -9.125 -2.466 157 HA GLN 24 HA GLN 24 -7.613 -9.914 -0.001 158 HB2 GLN 24 1HB GLN 24 -4.707 -10.339 -0.699 159 HB3 GLN 24 2HB GLN 24 -5.343 -10.489 0.934 160 HG2 GLN 24 1HG GLN 24 -6.881 -12.251 0.121 161 HG3 GLN 24 2HG GLN 24 -6.103 -12.148 -1.458 162 HE21 GLN 24 1HE2 GLN 24 -6.278 -14.403 0.363 163 HE22 GLN 24 2HE2 GLN 24 -4.652 -14.865 0.722 164 H ASN 25 H ASN 25 -7.645 -8.436 1.592 165 HA ASN 25 HA ASN 25 -7.024 -5.767 1.113 166 HB2 ASN 25 1HB ASN 25 -7.531 -5.366 3.433 167 HB3 ASN 25 2HB ASN 25 -8.622 -6.618 2.845 168 HD21 ASN 25 1HD2 ASN 25 -6.728 -5.740 5.353 169 HD22 ASN 25 2HD2 ASN 25 -6.419 -7.291 6.050 170 H SER 26 H SER 26 -5.207 -8.214 2.929 171 HA SER 26 HA SER 26 -3.177 -6.712 3.981 172 HB2 SER 26 1HB SER 26 -3.290 -9.061 4.460 173 HB3 SER 26 2HB SER 26 -3.059 -9.477 2.762 174 HG SER 26 HG SER 26 -1.099 -9.712 3.768 175 H HIS 27 H HIS 27 -3.446 -7.931 0.671 176 HA HIS 27 HA HIS 27 -0.910 -7.043 -0.206 177 HB2 HIS 27 1HB HIS 27 -3.433 -7.916 -1.546 178 HB3 HIS 27 2HB HIS 27 -2.207 -7.101 -2.513 179 HD2 HIS 27 HD2 HIS 27 -2.219 -10.249 -0.098 180 HE1 HIS 27 HE1 HIS 27 0.455 -10.912 -3.325 181 HE2 HIS 27 HE2 HIS 27 -0.642 -11.916 -1.292 182 H LEU 28 H LEU 28 -4.001 -5.468 0.129 183 HA LEU 28 HA LEU 28 -3.292 -3.180 -1.462 184 HB2 LEU 28 1HB LEU 28 -5.600 -3.780 -1.320 185 HB3 LEU 28 2HB LEU 28 -5.559 -3.728 0.441 186 HG LEU 28 HG LEU 28 -5.242 -1.287 0.340 187 HD11 LEU 28 1HD1 LEU 28 -4.136 -1.165 -1.834 188 HD12 LEU 28 2HD1 LEU 28 -5.546 -0.108 -1.769 189 HD13 LEU 28 3HD1 LEU 28 -5.636 -1.646 -2.628 190 HD21 LEU 28 3HD2 LEU 28 -7.451 -1.241 0.536 191 HD22 LEU 28 1HD2 LEU 28 -7.581 -2.769 -0.335 192 HD23 LEU 28 2HD2 LEU 28 -7.598 -1.246 -1.222 193 H ALA 29 H ALA 29 -3.586 -3.869 2.008 194 HA ALA 29 HA ALA 29 -3.029 -1.352 3.020 195 HB1 ALA 29 3HB ALA 29 -1.913 -2.816 4.923 196 HB2 ALA 29 1HB ALA 29 -3.660 -2.781 4.678 197 HB3 ALA 29 2HB ALA 29 -2.706 -4.121 4.040 198 H ARG 30 H ARG 30 -0.750 -3.943 2.163 199 HA ARG 30 HA ARG 30 1.577 -2.495 2.884 200 HB2 ARG 30 1HB ARG 30 2.808 -4.261 1.906 201 HB3 ARG 30 2HB ARG 30 1.362 -5.008 2.572 202 HG2 ARG 30 1HG ARG 30 0.364 -4.847 0.259 203 HG3 ARG 30 2HG ARG 30 1.978 -4.410 -0.306 204 HD2 ARG 30 1HD ARG 30 1.569 -6.869 1.349 205 HD3 ARG 30 2HD ARG 30 1.217 -6.894 -0.378 206 HE ARG 30 HE ARG 30 3.797 -5.817 0.133 207 HH11 ARG 30 1HH1 ARG 30 2.019 -8.807 -0.029 208 HH12 ARG 30 2HH1 ARG 30 3.408 -9.762 -0.432 209 HH21 ARG 30 1HH2 ARG 30 5.632 -7.064 -0.397 210 HH22 ARG 30 2HH2 ARG 30 5.462 -8.769 -0.641 211 H HIS 31 H HIS 31 -0.361 -2.655 -0.012 212 HA HIS 31 HA HIS 31 1.542 -1.472 -1.766 213 HB2 HIS 31 1HB HIS 31 -0.070 -2.521 -3.004 214 HB3 HIS 31 2HB HIS 31 -1.354 -2.125 -1.866 215 HD1 HIS 31 HD1 HIS 31 0.526 -0.720 -4.795 216 HD2 HIS 31 HD2 HIS 31 -2.736 0.225 -2.401 217 HE1 HIS 31 HE1 HIS 31 -0.626 1.193 -5.951 218 H ARG 32 H ARG 32 -1.340 -0.158 -0.130 219 HA ARG 32 HA ARG 32 -1.371 2.413 -0.917 220 HB2 ARG 32 1HB ARG 32 -1.622 1.442 1.935 221 HB3 ARG 32 2HB ARG 32 -2.124 3.031 1.373 222 HG2 ARG 32 1HG ARG 32 -3.882 2.161 0.109 223 HG3 ARG 32 2HG ARG 32 -3.215 0.527 0.143 224 HD2 ARG 32 1HD ARG 32 -5.049 0.541 1.643 225 HD3 ARG 32 2HD ARG 32 -3.589 0.547 2.632 226 HE ARG 32 HE ARG 32 -4.653 3.167 2.097 227 HH11 ARG 32 1HH1 ARG 32 -4.767 0.393 4.198 228 HH12 ARG 32 2HH1 ARG 32 -5.381 1.281 5.553 229 HH21 ARG 32 1HH2 ARG 32 -5.462 4.347 3.874 230 HH22 ARG 32 2HH2 ARG 32 -5.777 3.530 5.367 231 H GLY 33 H GLY 33 1.142 0.904 0.929 232 HA2 GLY 33 1HA GLY 33 2.366 3.086 2.139 233 HA3 GLY 33 2HA GLY 33 3.212 1.651 1.579 234 H ILE 34 H ILE 34 2.801 1.850 -1.159 235 HA ILE 34 HA ILE 34 4.889 3.452 -1.988 236 HB ILE 34 HB ILE 34 4.129 3.144 -4.256 237 HG12 ILE 34 1HG1 ILE 34 1.589 1.838 -3.403 238 HG13 ILE 34 2HG1 ILE 34 1.642 3.597 -3.414 239 HG21 ILE 34 1HG2 ILE 34 3.617 0.633 -4.160 240 HG22 ILE 34 2HG2 ILE 34 5.126 1.196 -3.444 241 HG23 ILE 34 3HG2 ILE 34 3.750 0.811 -2.410 242 HD11 ILE 34 3HD1 ILE 34 2.751 2.677 -5.851 243 HD12 ILE 34 1HD1 ILE 34 1.233 1.823 -5.578 244 HD13 ILE 34 2HD1 ILE 34 1.264 3.587 -5.587 245 H HIS 35 H HIS 35 1.715 4.385 -1.143 246 HA HIS 35 HA HIS 35 1.792 6.873 -2.642 247 HB2 HIS 35 1HB HIS 35 -0.232 5.778 -0.679 248 HB3 HIS 35 2HB HIS 35 -0.409 7.297 -1.552 249 HD1 HIS 35 HD1 HIS 35 0.350 6.494 -4.368 250 HD2 HIS 35 HD2 HIS 35 -2.009 4.135 -1.892 251 HE1 HIS 35 HE1 HIS 35 -0.966 5.007 -5.911 252 H THR 36 H THR 36 1.455 5.989 0.799 253 HA THR 36 HA THR 36 2.781 8.534 1.477 254 HB THR 36 HB THR 36 0.417 8.388 2.236 255 HG1 THR 36 HG1 THR 36 1.338 9.686 3.642 256 HG21 THR 36 3HG2 THR 36 0.626 5.858 2.670 257 HG22 THR 36 1HG2 THR 36 -0.324 6.816 3.804 258 HG23 THR 36 2HG2 THR 36 1.317 6.324 4.223 259 H GLY 37 H GLY 37 4.539 8.500 2.783 260 HA2 GLY 37 1HA GLY 37 5.242 6.646 4.694 261 HA3 GLY 37 2HA GLY 37 5.880 6.010 3.184 262 H GLU 38 H GLU 38 6.984 7.913 1.847 263 HA GLU 38 HA GLU 38 8.310 9.945 3.294 264 HB2 GLU 38 1HB GLU 38 9.532 8.143 4.338 265 HB3 GLU 38 2HB GLU 38 9.882 7.418 2.775 266 HG2 GLU 38 1HG GLU 38 11.238 9.371 2.182 267 HG3 GLU 38 2HG GLU 38 10.909 10.067 3.768 268 H LYS 39 H LYS 39 8.398 11.421 1.744 269 HA LYS 39 HA LYS 39 10.008 11.146 -0.547 270 HB2 LYS 39 1HB LYS 39 8.215 11.300 -2.279 271 HB3 LYS 39 2HB LYS 39 8.274 9.750 -1.449 272 HG2 LYS 39 1HG LYS 39 6.404 10.465 -0.022 273 HG3 LYS 39 2HG LYS 39 6.327 11.986 -0.916 274 HD2 LYS 39 1HD LYS 39 4.681 10.652 -1.909 275 HD3 LYS 39 2HD LYS 39 6.059 10.522 -3.005 276 HE2 LYS 39 1HE LYS 39 6.651 8.436 -1.557 277 HE3 LYS 39 2HE LYS 39 4.951 8.506 -1.095 278 HZ1 LYS 39 3HZ LYS 39 5.153 8.777 -3.884 279 HZ2 LYS 39 1HZ LYS 39 4.417 7.538 -2.996 280 HZ3 LYS 39 2HZ LYS 39 6.052 7.423 -3.414 281 HA PRO 40 HA PRO 40 9.742 15.519 -0.045 282 HB2 PRO 40 1HB PRO 40 10.994 16.257 -2.338 283 HB3 PRO 40 2HB PRO 40 11.855 15.593 -0.945 284 HG2 PRO 40 1HG PRO 40 10.974 14.223 -3.457 285 HG3 PRO 40 2HG PRO 40 12.512 14.082 -2.586 286 HD2 PRO 40 1HD PRO 40 10.541 12.239 -2.368 287 HD3 PRO 40 2HD PRO 40 11.642 12.623 -1.029 288 H SER 41 H SER 41 7.492 15.828 -0.221 289 HA SER 41 HA SER 41 6.670 17.074 -2.698 290 HB2 SER 41 1HB SER 41 4.559 15.702 -2.814 291 HB3 SER 41 2HB SER 41 6.029 14.817 -3.222 292 HG SER 41 HG SER 41 4.697 14.784 -0.714 293 H GLY 42 H GLY 42 5.154 18.644 -2.392 294 HA2 GLY 42 1HA GLY 42 3.124 19.070 -0.796 295 HA3 GLY 42 2HA GLY 42 4.412 19.163 0.397 296 HA PRO 43 HA PRO 43 4.600 23.477 -0.459 297 HB2 PRO 43 1HB PRO 43 7.021 23.998 0.653 298 HB3 PRO 43 2HB PRO 43 5.570 23.687 1.613 299 HG2 PRO 43 1HG PRO 43 7.805 21.827 0.901 300 HG3 PRO 43 2HG PRO 43 6.974 22.035 2.453 301 HD2 PRO 43 1HD PRO 43 6.404 20.003 0.756 302 HD3 PRO 43 2HD PRO 43 5.179 20.740 1.809 303 H SER 44 H SER 44 6.429 25.082 -1.231 304 HA SER 44 HA SER 44 7.504 25.807 -3.115 305 HB2 SER 44 1HB SER 44 9.321 24.700 -1.767 306 HB3 SER 44 2HB SER 44 9.100 23.261 -2.762 307 HG SER 44 HG SER 44 9.785 24.388 -4.537 308 H SER 45 H SER 45 5.169 24.571 -3.806 309 HA SER 45 HA SER 45 5.627 22.575 -5.832 310 HB2 SER 45 1HB SER 45 3.546 22.594 -4.504 311 HB3 SER 45 2HB SER 45 3.124 24.159 -5.199 312 HG SER 45 HG SER 45 2.468 21.870 -6.165 313 H GLY 46 H GLY 46 6.261 22.979 -7.839 314 HA2 GLY 46 1HA GLY 46 5.663 25.641 -8.979 315 HA3 GLY 46 2HA GLY 46 7.173 24.792 -9.273 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -42.194 6.713 -10.147 2 HA2 GLY 1 1HA GLY 1 -40.447 8.349 -9.816 3 HA3 GLY 1 2HA GLY 1 -40.266 7.751 -8.173 4 H SER 2 H SER 2 -38.637 7.929 -10.892 5 HA SER 2 HA SER 2 -37.331 5.324 -10.484 6 HB2 SER 2 1HB SER 2 -36.851 5.267 -12.933 7 HB3 SER 2 2HB SER 2 -38.572 5.160 -12.560 8 HG SER 2 HG SER 2 -37.876 6.687 -14.276 9 H SER 3 H SER 3 -35.517 5.900 -9.445 10 HA SER 3 HA SER 3 -33.783 7.884 -10.754 11 HB2 SER 3 1HB SER 3 -34.883 8.821 -8.692 12 HB3 SER 3 2HB SER 3 -34.045 7.585 -7.755 13 HG SER 3 HG SER 3 -32.432 9.035 -9.452 14 H GLY 4 H GLY 4 -32.766 6.026 -11.720 15 HA2 GLY 4 1HA GLY 4 -31.348 4.227 -9.900 16 HA3 GLY 4 2HA GLY 4 -31.485 4.044 -11.643 17 H SER 5 H SER 5 -29.073 3.749 -10.254 18 HA SER 5 HA SER 5 -27.541 5.950 -11.441 19 HB2 SER 5 1HB SER 5 -27.844 6.184 -8.893 20 HB3 SER 5 2HB SER 5 -26.763 4.796 -8.768 21 HG SER 5 HG SER 5 -25.193 5.997 -9.890 22 H SER 6 H SER 6 -25.698 5.343 -12.456 23 HA SER 6 HA SER 6 -25.281 2.930 -13.535 24 HB2 SER 6 1HB SER 6 -23.032 4.686 -12.523 25 HB3 SER 6 2HB SER 6 -22.917 3.485 -13.809 26 HG SER 6 HG SER 6 -23.332 5.885 -14.284 27 H GLY 7 H GLY 7 -23.975 1.082 -13.117 28 HA2 GLY 7 1HA GLY 7 -22.823 0.664 -10.515 29 HA3 GLY 7 2HA GLY 7 -24.339 -0.197 -10.736 30 H THR 8 H THR 8 -21.406 -1.003 -10.484 31 HA THR 8 HA THR 8 -21.364 -2.767 -12.846 32 HB THR 8 HB THR 8 -18.972 -1.622 -11.390 33 HG1 THR 8 HG1 THR 8 -19.635 -0.053 -12.745 34 HG21 THR 8 3HG2 THR 8 -17.630 -2.747 -13.081 35 HG22 THR 8 1HG2 THR 8 -19.085 -3.420 -13.816 36 HG23 THR 8 2HG2 THR 8 -18.602 -3.922 -12.195 37 H GLY 9 H GLY 9 -20.233 -2.433 -9.482 38 HA2 GLY 9 1HA GLY 9 -21.268 -4.709 -8.419 39 HA3 GLY 9 2HA GLY 9 -19.808 -5.273 -9.218 40 H LYS 10 H LYS 10 -20.470 -5.258 -6.374 41 HA LYS 10 HA LYS 10 -18.831 -3.209 -5.172 42 HB2 LYS 10 1HB LYS 10 -20.434 -5.523 -4.150 43 HB3 LYS 10 2HB LYS 10 -19.244 -4.764 -3.101 44 HG2 LYS 10 1HG LYS 10 -20.396 -2.573 -3.578 45 HG3 LYS 10 2HG LYS 10 -21.680 -3.515 -4.340 46 HD2 LYS 10 1HD LYS 10 -20.752 -4.091 -1.542 47 HD3 LYS 10 2HD LYS 10 -21.971 -2.859 -1.877 48 HE2 LYS 10 1HE LYS 10 -23.407 -4.501 -2.909 49 HE3 LYS 10 2HE LYS 10 -22.165 -5.741 -2.742 50 HZ1 LYS 10 3HZ LYS 10 -22.369 -5.636 -0.371 51 HZ2 LYS 10 1HZ LYS 10 -23.911 -5.867 -1.029 52 HZ3 LYS 10 2HZ LYS 10 -23.453 -4.340 -0.463 53 H LYS 11 H LYS 11 -16.713 -3.312 -4.847 54 HA LYS 11 HA LYS 11 -15.316 -5.814 -5.387 55 HB2 LYS 11 1HB LYS 11 -14.471 -2.941 -5.172 56 HB3 LYS 11 2HB LYS 11 -13.276 -4.229 -5.089 57 HG2 LYS 11 1HG LYS 11 -13.211 -3.811 -7.317 58 HG3 LYS 11 2HG LYS 11 -14.504 -5.013 -7.298 59 HD2 LYS 11 1HD LYS 11 -15.546 -3.410 -8.530 60 HD3 LYS 11 2HD LYS 11 -15.981 -2.826 -6.922 61 HE2 LYS 11 1HE LYS 11 -13.410 -1.888 -8.063 62 HE3 LYS 11 2HE LYS 11 -14.890 -1.256 -8.784 63 HZ1 LYS 11 3HZ LYS 11 -14.825 -1.237 -5.889 64 HZ2 LYS 11 1HZ LYS 11 -15.355 -0.048 -6.970 65 HZ3 LYS 11 2HZ LYS 11 -13.706 -0.208 -6.631 66 HA PRO 12 HA PRO 12 -14.369 -6.789 -1.213 67 HB2 PRO 12 1HB PRO 12 -11.862 -7.804 -1.443 68 HB3 PRO 12 2HB PRO 12 -13.301 -8.661 -2.009 69 HG2 PRO 12 1HG PRO 12 -11.330 -7.034 -3.568 70 HG3 PRO 12 2HG PRO 12 -12.069 -8.592 -3.980 71 HD2 PRO 12 1HD PRO 12 -12.941 -6.248 -5.016 72 HD3 PRO 12 2HD PRO 12 -14.028 -7.615 -4.702 73 H TYR 13 H TYR 13 -11.549 -5.300 -2.821 74 HA TYR 13 HA TYR 13 -11.400 -3.288 -0.737 75 HB2 TYR 13 1HB TYR 13 -8.955 -4.967 -1.281 76 HB3 TYR 13 2HB TYR 13 -9.194 -3.778 -0.005 77 HD1 TYR 13 HD1 TYR 13 -10.877 -4.308 1.826 78 HD2 TYR 13 HD2 TYR 13 -9.466 -7.231 -0.925 79 HE1 TYR 13 HE1 TYR 13 -11.606 -6.090 3.356 80 HE2 TYR 13 HE2 TYR 13 -10.192 -9.022 0.597 81 HH TYR 13 HH TYR 13 -11.747 -9.375 2.415 82 H LYS 14 H LYS 14 -10.945 -1.403 -1.649 83 HA LYS 14 HA LYS 14 -9.340 -1.375 -4.118 84 HB2 LYS 14 1HB LYS 14 -11.785 -1.023 -4.547 85 HB3 LYS 14 2HB LYS 14 -11.701 0.426 -3.555 86 HG2 LYS 14 1HG LYS 14 -9.768 1.058 -5.220 87 HG3 LYS 14 2HG LYS 14 -10.611 -0.081 -6.273 88 HD2 LYS 14 1HD LYS 14 -11.704 1.848 -6.832 89 HD3 LYS 14 2HD LYS 14 -12.721 1.306 -5.496 90 HE2 LYS 14 1HE LYS 14 -11.650 2.806 -3.979 91 HE3 LYS 14 2HE LYS 14 -10.410 3.210 -5.165 92 HZ1 LYS 14 3HZ LYS 14 -13.301 3.850 -5.405 93 HZ2 LYS 14 1HZ LYS 14 -12.108 4.239 -6.540 94 HZ3 LYS 14 2HZ LYS 14 -12.078 4.947 -5.004 95 H CYS 15 H CYS 15 -7.962 0.379 -4.409 96 HA CYS 15 HA CYS 15 -7.160 1.697 -1.960 97 HB2 CYS 15 1HB CYS 15 -5.577 0.700 -3.707 98 HB3 CYS 15 2HB CYS 15 -5.951 2.111 -4.691 99 H ASN 16 H ASN 16 -8.303 3.424 -1.357 100 HA ASN 16 HA ASN 16 -9.723 5.104 -3.143 101 HB2 ASN 16 1HB ASN 16 -10.015 4.664 -0.558 102 HB3 ASN 16 2HB ASN 16 -8.934 6.046 -0.415 103 HD21 ASN 16 1HD2 ASN 16 -11.248 6.446 0.678 104 HD22 ASN 16 2HD2 ASN 16 -12.288 7.425 -0.294 105 H GLU 17 H GLU 17 -6.475 4.851 -2.626 106 HA GLU 17 HA GLU 17 -5.838 7.674 -2.799 107 HB2 GLU 17 1HB GLU 17 -3.993 5.288 -2.988 108 HB3 GLU 17 2HB GLU 17 -3.516 6.962 -2.748 109 HG2 GLU 17 1HG GLU 17 -5.284 5.515 -0.806 110 HG3 GLU 17 2HG GLU 17 -3.525 5.446 -0.714 111 H CYS 18 H CYS 18 -5.291 4.789 -4.821 112 HA CYS 18 HA CYS 18 -4.992 6.576 -7.141 113 HB2 CYS 18 1HB CYS 18 -3.809 4.686 -8.221 114 HB3 CYS 18 2HB CYS 18 -3.014 5.223 -6.745 115 H GLY 19 H GLY 19 -6.398 3.476 -6.114 116 HA2 GLY 19 1HA GLY 19 -8.778 3.148 -6.681 117 HA3 GLY 19 2HA GLY 19 -8.397 3.804 -8.267 118 H LYS 20 H LYS 20 -6.631 1.413 -6.331 119 HA LYS 20 HA LYS 20 -6.985 -0.493 -8.550 120 HB2 LYS 20 1HB LYS 20 -4.656 0.176 -6.822 121 HB3 LYS 20 2HB LYS 20 -4.843 -1.502 -7.314 122 HG2 LYS 20 1HG LYS 20 -4.471 -1.042 -9.528 123 HG3 LYS 20 2HG LYS 20 -5.008 0.633 -9.383 124 HD2 LYS 20 1HD LYS 20 -2.963 1.095 -8.028 125 HD3 LYS 20 2HD LYS 20 -2.415 -0.544 -8.388 126 HE2 LYS 20 1HE LYS 20 -2.046 -0.074 -10.613 127 HE3 LYS 20 2HE LYS 20 -3.202 1.257 -10.633 128 HZ1 LYS 20 3HZ LYS 20 -0.524 1.285 -9.350 129 HZ2 LYS 20 1HZ LYS 20 -1.641 2.554 -9.292 130 HZ3 LYS 20 2HZ LYS 20 -0.961 2.093 -10.770 131 H VAL 21 H VAL 21 -7.846 -2.444 -8.136 132 HA VAL 21 HA VAL 21 -8.716 -2.980 -5.396 133 HB VAL 21 HB VAL 21 -9.495 -4.506 -7.878 134 HG11 VAL 21 1HG1 VAL 21 -9.853 -5.434 -5.514 135 HG12 VAL 21 2HG1 VAL 21 -11.083 -4.178 -5.354 136 HG13 VAL 21 3HG1 VAL 21 -11.236 -5.409 -6.608 137 HG21 VAL 21 3HG2 VAL 21 -9.992 -1.866 -7.589 138 HG22 VAL 21 1HG2 VAL 21 -11.061 -2.984 -8.436 139 HG23 VAL 21 2HG2 VAL 21 -11.389 -2.549 -6.759 140 H PHE 22 H PHE 22 -8.143 -4.772 -4.248 141 HA PHE 22 HA PHE 22 -6.224 -6.617 -5.504 142 HB2 PHE 22 1HB PHE 22 -6.060 -5.552 -2.677 143 HB3 PHE 22 2HB PHE 22 -4.936 -6.676 -3.432 144 HD1 PHE 22 HD2 PHE 22 -6.317 -3.244 -3.806 145 HD2 PHE 22 HD1 PHE 22 -3.044 -5.876 -4.491 146 HE1 PHE 22 HE2 PHE 22 -4.965 -1.349 -4.603 147 HE2 PHE 22 HE1 PHE 22 -1.686 -3.986 -5.288 148 HZ PHE 22 HZ PHE 22 -2.646 -1.719 -5.346 149 H THR 23 H THR 23 -6.712 -8.703 -5.297 150 HA THR 23 HA THR 23 -9.101 -9.670 -4.364 151 HB THR 23 HB THR 23 -8.040 -11.915 -4.277 152 HG1 THR 23 HG1 THR 23 -5.874 -12.126 -4.454 153 HG21 THR 23 3HG2 THR 23 -8.063 -10.094 -6.534 154 HG22 THR 23 1HG2 THR 23 -8.536 -11.791 -6.453 155 HG23 THR 23 2HG2 THR 23 -6.847 -11.357 -6.722 156 H GLN 24 H GLN 24 -6.080 -9.292 -2.582 157 HA GLN 24 HA GLN 24 -7.522 -10.021 -0.118 158 HB2 GLN 24 1HB GLN 24 -4.602 -10.340 -0.817 159 HB3 GLN 24 2HB GLN 24 -5.237 -10.540 0.811 160 HG2 GLN 24 1HG GLN 24 -6.658 -12.365 0.039 161 HG3 GLN 24 2HG GLN 24 -6.034 -12.161 -1.596 162 HE21 GLN 24 1HE2 GLN 24 -5.207 -13.072 1.685 163 HE22 GLN 24 2HE2 GLN 24 -3.816 -14.011 1.276 164 H ASN 25 H ASN 25 -7.485 -8.634 1.584 165 HA ASN 25 HA ASN 25 -6.991 -5.914 1.132 166 HB2 ASN 25 1HB ASN 25 -8.515 -6.219 2.828 167 HB3 ASN 25 2HB ASN 25 -7.633 -7.577 3.522 168 HD21 ASN 25 1HD2 ASN 25 -6.582 -7.209 5.332 169 HD22 ASN 25 2HD2 ASN 25 -6.092 -5.663 5.927 170 H SER 26 H SER 26 -5.108 -8.335 2.923 171 HA SER 26 HA SER 26 -3.112 -6.781 3.971 172 HB2 SER 26 1HB SER 26 -2.923 -9.546 2.763 173 HB3 SER 26 2HB SER 26 -1.624 -8.798 3.691 174 HG SER 26 HG SER 26 -4.263 -9.231 4.645 175 H HIS 27 H HIS 27 -3.466 -7.890 0.649 176 HA HIS 27 HA HIS 27 -0.914 -7.011 -0.242 177 HB2 HIS 27 1HB HIS 27 -3.471 -7.707 -1.679 178 HB3 HIS 27 2HB HIS 27 -2.032 -7.165 -2.538 179 HD2 HIS 27 HD2 HIS 27 -2.330 -9.929 0.292 180 HE1 HIS 27 HE1 HIS 27 -0.354 -11.541 -3.099 181 HE2 HIS 27 HE2 HIS 27 -1.220 -12.005 -0.779 182 H LEU 28 H LEU 28 -3.993 -5.460 0.198 183 HA LEU 28 HA LEU 28 -3.349 -3.157 -1.404 184 HB2 LEU 28 1HB LEU 28 -5.638 -3.675 -1.266 185 HB3 LEU 28 2HB LEU 28 -5.578 -3.836 0.488 186 HG LEU 28 HG LEU 28 -5.169 -1.356 0.598 187 HD11 LEU 28 1HD1 LEU 28 -5.563 0.011 -1.286 188 HD12 LEU 28 2HD1 LEU 28 -6.125 -1.352 -2.253 189 HD13 LEU 28 3HD1 LEU 28 -4.422 -1.227 -1.811 190 HD21 LEU 28 3HD2 LEU 28 -7.417 -0.908 0.679 191 HD22 LEU 28 1HD2 LEU 28 -7.435 -2.671 0.728 192 HD23 LEU 28 2HD2 LEU 28 -7.767 -1.827 -0.785 193 H ALA 29 H ALA 29 -3.755 -3.742 2.088 194 HA ALA 29 HA ALA 29 -3.094 -1.253 3.055 195 HB1 ALA 29 3HB ALA 29 -3.638 -2.464 4.852 196 HB2 ALA 29 1HB ALA 29 -3.107 -3.972 4.107 197 HB3 ALA 29 2HB ALA 29 -1.935 -2.920 4.901 198 H ARG 30 H ARG 30 -0.926 -3.847 2.029 199 HA ARG 30 HA ARG 30 1.461 -2.507 2.840 200 HB2 ARG 30 1HB ARG 30 2.632 -4.261 1.630 201 HB3 ARG 30 2HB ARG 30 1.337 -4.955 2.596 202 HG2 ARG 30 1HG ARG 30 -0.071 -5.072 0.578 203 HG3 ARG 30 2HG ARG 30 1.281 -4.450 -0.372 204 HD2 ARG 30 1HD ARG 30 1.181 -7.037 1.174 205 HD3 ARG 30 2HD ARG 30 1.199 -6.849 -0.579 206 HE ARG 30 HE ARG 30 3.481 -5.626 0.185 207 HH11 ARG 30 1HH1 ARG 30 2.112 -8.753 0.868 208 HH12 ARG 30 2HH1 ARG 30 3.649 -9.532 1.047 209 HH21 ARG 30 1HH2 ARG 30 5.511 -6.641 0.418 210 HH22 ARG 30 2HH2 ARG 30 5.582 -8.329 0.791 211 H HIS 31 H HIS 31 -0.481 -2.575 -0.059 212 HA HIS 31 HA HIS 31 1.452 -1.417 -1.794 213 HB2 HIS 31 1HB HIS 31 -0.188 -2.411 -3.044 214 HB3 HIS 31 2HB HIS 31 -1.463 -1.987 -1.905 215 HD1 HIS 31 HD1 HIS 31 0.516 -0.555 -4.768 216 HD2 HIS 31 HD2 HIS 31 -2.822 0.353 -2.468 217 HE1 HIS 31 HE1 HIS 31 -0.587 1.389 -5.921 218 H ARG 32 H ARG 32 -1.393 -0.052 -0.135 219 HA ARG 32 HA ARG 32 -1.367 2.528 -0.885 220 HB2 ARG 32 1HB ARG 32 -1.590 1.577 1.977 221 HB3 ARG 32 2HB ARG 32 -2.132 3.139 1.378 222 HG2 ARG 32 1HG ARG 32 -3.777 2.065 -0.034 223 HG3 ARG 32 2HG ARG 32 -3.196 0.475 0.466 224 HD2 ARG 32 1HD ARG 32 -5.114 0.875 1.767 225 HD3 ARG 32 2HD ARG 32 -3.750 1.186 2.839 226 HE ARG 32 HE ARG 32 -4.716 3.537 1.503 227 HH11 ARG 32 1HH1 ARG 32 -5.127 1.439 4.251 228 HH12 ARG 32 2HH1 ARG 32 -5.875 2.655 5.232 229 HH21 ARG 32 1HH2 ARG 32 -5.700 5.146 2.786 230 HH22 ARG 32 2HH2 ARG 32 -6.201 4.763 4.398 231 H GLY 33 H GLY 33 1.120 0.937 0.932 232 HA2 GLY 33 1HA GLY 33 2.405 3.087 2.145 233 HA3 GLY 33 2HA GLY 33 3.209 1.628 1.585 234 H ILE 34 H ILE 34 2.821 1.823 -1.147 235 HA ILE 34 HA ILE 34 4.943 3.383 -1.975 236 HB ILE 34 HB ILE 34 4.213 3.051 -4.239 237 HG12 ILE 34 1HG1 ILE 34 1.609 1.856 -3.415 238 HG13 ILE 34 2HG1 ILE 34 1.731 3.611 -3.458 239 HG21 ILE 34 1HG2 ILE 34 5.062 1.034 -3.671 240 HG22 ILE 34 2HG2 ILE 34 3.984 0.848 -2.288 241 HG23 ILE 34 3HG2 ILE 34 3.393 0.519 -3.916 242 HD11 ILE 34 3HD1 ILE 34 1.340 3.546 -5.628 243 HD12 ILE 34 1HD1 ILE 34 2.850 2.663 -5.857 244 HD13 ILE 34 2HD1 ILE 34 1.342 1.782 -5.604 245 H HIS 35 H HIS 35 1.779 4.373 -1.159 246 HA HIS 35 HA HIS 35 1.877 6.833 -2.694 247 HB2 HIS 35 1HB HIS 35 -0.117 5.819 -0.657 248 HB3 HIS 35 2HB HIS 35 -0.290 7.320 -1.562 249 HD1 HIS 35 HD1 HIS 35 0.419 6.407 -4.373 250 HD2 HIS 35 HD2 HIS 35 -1.983 4.211 -1.790 251 HE1 HIS 35 HE1 HIS 35 -0.967 4.915 -5.848 252 H THR 36 H THR 36 1.670 6.000 0.769 253 HA THR 36 HA THR 36 2.822 8.631 1.397 254 HB THR 36 HB THR 36 0.713 8.247 2.514 255 HG1 THR 36 HG1 THR 36 2.567 7.782 4.579 256 HG21 THR 36 3HG2 THR 36 1.579 5.581 2.649 257 HG22 THR 36 1HG2 THR 36 0.062 6.247 3.252 258 HG23 THR 36 2HG2 THR 36 1.461 6.135 4.319 259 H GLY 37 H GLY 37 4.976 8.534 1.545 260 HA2 GLY 37 1HA GLY 37 6.202 6.915 3.557 261 HA3 GLY 37 2HA GLY 37 6.573 6.329 1.942 262 H GLU 38 H GLU 38 7.255 8.205 0.402 263 HA GLU 38 HA GLU 38 8.782 10.281 1.739 264 HB2 GLU 38 1HB GLU 38 10.904 9.663 0.741 265 HB3 GLU 38 2HB GLU 38 10.303 8.337 1.727 266 HG2 GLU 38 1HG GLU 38 9.779 7.032 -0.123 267 HG3 GLU 38 2HG GLU 38 9.792 8.412 -1.219 268 H LYS 39 H LYS 39 9.339 12.002 0.398 269 HA LYS 39 HA LYS 39 8.120 11.918 -2.284 270 HB2 LYS 39 1HB LYS 39 7.166 13.468 -0.432 271 HB3 LYS 39 2HB LYS 39 8.590 14.453 -0.741 272 HG2 LYS 39 1HG LYS 39 7.882 14.464 -3.173 273 HG3 LYS 39 2HG LYS 39 6.346 13.790 -2.622 274 HD2 LYS 39 1HD LYS 39 7.442 16.260 -1.339 275 HD3 LYS 39 2HD LYS 39 6.610 16.369 -2.892 276 HE2 LYS 39 1HE LYS 39 4.684 15.163 -1.853 277 HE3 LYS 39 2HE LYS 39 5.512 15.287 -0.301 278 HZ1 LYS 39 3HZ LYS 39 4.795 17.357 -0.063 279 HZ2 LYS 39 1HZ LYS 39 3.834 17.151 -1.440 280 HZ3 LYS 39 2HZ LYS 39 5.383 17.816 -1.581 281 HA PRO 40 HA PRO 40 12.608 12.453 -3.067 282 HB2 PRO 40 1HB PRO 40 12.563 11.123 -5.433 283 HB3 PRO 40 2HB PRO 40 12.710 10.304 -3.874 284 HG2 PRO 40 1HG PRO 40 10.287 10.693 -5.587 285 HG3 PRO 40 2HG PRO 40 10.816 9.246 -4.709 286 HD2 PRO 40 1HD PRO 40 8.884 10.894 -3.770 287 HD3 PRO 40 2HD PRO 40 9.989 10.009 -2.698 288 H SER 41 H SER 41 13.702 13.365 -5.032 289 HA SER 41 HA SER 41 13.920 15.295 -6.267 290 HB2 SER 41 1HB SER 41 11.714 13.754 -7.634 291 HB3 SER 41 2HB SER 41 12.432 15.202 -8.339 292 HG SER 41 HG SER 41 13.416 13.203 -9.024 293 H GLY 42 H GLY 42 12.466 15.857 -3.973 294 HA2 GLY 42 1HA GLY 42 10.206 17.504 -4.872 295 HA3 GLY 42 2HA GLY 42 10.554 17.056 -3.208 296 HA PRO 43 HA PRO 43 12.263 21.061 -2.632 297 HB2 PRO 43 1HB PRO 43 13.822 20.566 -0.465 298 HB3 PRO 43 2HB PRO 43 12.059 20.663 -0.378 299 HG2 PRO 43 1HG PRO 43 13.819 18.245 -0.513 300 HG3 PRO 43 2HG PRO 43 12.392 18.535 0.499 301 HD2 PRO 43 1HD PRO 43 12.295 17.055 -1.767 302 HD3 PRO 43 2HD PRO 43 10.925 18.036 -1.208 303 H SER 44 H SER 44 13.500 21.022 -4.625 304 HA SER 44 HA SER 44 16.377 20.828 -4.098 305 HB2 SER 44 1HB SER 44 16.709 19.817 -6.362 306 HB3 SER 44 2HB SER 44 15.858 18.758 -5.237 307 HG SER 44 HG SER 44 15.011 19.135 -7.517 308 H SER 45 H SER 45 17.583 22.414 -5.014 309 HA SER 45 HA SER 45 16.376 24.794 -5.819 310 HB2 SER 45 1HB SER 45 19.202 23.848 -6.359 311 HB3 SER 45 2HB SER 45 18.642 25.515 -6.486 312 HG SER 45 HG SER 45 18.492 23.965 -4.115 313 H GLY 46 H GLY 46 18.162 22.452 -7.839 314 HA2 GLY 46 1HA GLY 46 16.810 23.604 -10.194 315 HA3 GLY 46 2HA GLY 46 18.347 22.754 -10.235 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -38.048 5.605 -10.911 2 HA2 GLY 1 1HA GLY 1 -38.188 3.384 -9.605 3 HA3 GLY 1 2HA GLY 1 -39.228 2.909 -10.940 4 H SER 2 H SER 2 -35.977 3.498 -9.903 5 HA SER 2 HA SER 2 -35.008 2.434 -12.475 6 HB2 SER 2 1HB SER 2 -32.958 3.758 -12.178 7 HB3 SER 2 2HB SER 2 -34.380 4.800 -12.217 8 HG SER 2 HG SER 2 -33.421 5.530 -10.457 9 H SER 3 H SER 3 -33.028 1.182 -12.356 10 HA SER 3 HA SER 3 -32.549 -0.010 -9.707 11 HB2 SER 3 1HB SER 3 -33.021 -1.409 -12.336 12 HB3 SER 3 2HB SER 3 -32.174 -2.198 -11.005 13 HG SER 3 HG SER 3 -33.987 -2.196 -9.823 14 H GLY 4 H GLY 4 -30.481 -1.429 -9.813 15 HA2 GLY 4 1HA GLY 4 -28.261 0.116 -10.088 16 HA3 GLY 4 2HA GLY 4 -28.225 -1.633 -10.260 17 H SER 5 H SER 5 -27.406 1.182 -11.732 18 HA SER 5 HA SER 5 -27.668 0.040 -14.435 19 HB2 SER 5 1HB SER 5 -27.204 2.935 -13.680 20 HB3 SER 5 2HB SER 5 -27.497 2.306 -15.301 21 HG SER 5 HG SER 5 -29.326 3.230 -13.912 22 H SER 6 H SER 6 -25.463 1.902 -12.357 23 HA SER 6 HA SER 6 -23.222 2.142 -13.798 24 HB2 SER 6 1HB SER 6 -21.938 2.036 -11.795 25 HB3 SER 6 2HB SER 6 -23.529 2.629 -11.318 26 HG SER 6 HG SER 6 -22.292 0.605 -10.294 27 H GLY 7 H GLY 7 -24.328 -0.890 -12.336 28 HA2 GLY 7 1HA GLY 7 -23.805 -2.768 -14.052 29 HA3 GLY 7 2HA GLY 7 -22.145 -2.314 -13.695 30 H THR 8 H THR 8 -21.805 -4.482 -12.967 31 HA THR 8 HA THR 8 -22.659 -4.847 -10.184 32 HB THR 8 HB THR 8 -24.136 -6.267 -11.529 33 HG1 THR 8 HG1 THR 8 -22.319 -8.080 -10.383 34 HG21 THR 8 3HG2 THR 8 -21.637 -7.691 -12.444 35 HG22 THR 8 1HG2 THR 8 -22.550 -6.556 -13.438 36 HG23 THR 8 2HG2 THR 8 -23.301 -8.057 -12.898 37 H GLY 9 H GLY 9 -21.221 -6.053 -8.887 38 HA2 GLY 9 1HA GLY 9 -19.173 -7.564 -9.064 39 HA3 GLY 9 2HA GLY 9 -18.516 -6.262 -10.045 40 H LYS 10 H LYS 10 -19.353 -7.300 -6.832 41 HA LYS 10 HA LYS 10 -18.579 -4.813 -5.590 42 HB2 LYS 10 1HB LYS 10 -20.324 -6.380 -4.667 43 HB3 LYS 10 2HB LYS 10 -19.022 -7.492 -4.267 44 HG2 LYS 10 1HG LYS 10 -18.039 -5.841 -2.782 45 HG3 LYS 10 2HG LYS 10 -19.299 -4.683 -3.214 46 HD2 LYS 10 1HD LYS 10 -19.975 -7.375 -2.071 47 HD3 LYS 10 2HD LYS 10 -19.564 -6.012 -1.028 48 HE2 LYS 10 1HE LYS 10 -21.723 -5.919 -3.127 49 HE3 LYS 10 2HE LYS 10 -22.020 -6.346 -1.443 50 HZ1 LYS 10 3HZ LYS 10 -21.302 -3.752 -2.603 51 HZ2 LYS 10 1HZ LYS 10 -20.784 -4.098 -1.030 52 HZ3 LYS 10 2HZ LYS 10 -22.434 -4.118 -1.401 53 H LYS 11 H LYS 11 -16.501 -4.256 -5.596 54 HA LYS 11 HA LYS 11 -14.379 -6.177 -5.706 55 HB2 LYS 11 1HB LYS 11 -14.299 -3.192 -5.230 56 HB3 LYS 11 2HB LYS 11 -12.898 -4.204 -5.554 57 HG2 LYS 11 1HG LYS 11 -15.165 -4.159 -7.493 58 HG3 LYS 11 2HG LYS 11 -13.996 -2.836 -7.472 59 HD2 LYS 11 1HD LYS 11 -12.236 -4.214 -8.098 60 HD3 LYS 11 2HD LYS 11 -13.058 -5.678 -7.554 61 HE2 LYS 11 1HE LYS 11 -13.868 -4.001 -9.928 62 HE3 LYS 11 2HE LYS 11 -12.950 -5.504 -10.011 63 HZ1 LYS 11 3HZ LYS 11 -14.903 -6.536 -8.807 64 HZ2 LYS 11 1HZ LYS 11 -15.161 -6.097 -10.420 65 HZ3 LYS 11 2HZ LYS 11 -15.762 -5.125 -9.172 66 HA PRO 12 HA PRO 12 -13.820 -6.867 -1.391 67 HB2 PRO 12 1HB PRO 12 -11.235 -7.696 -1.434 68 HB3 PRO 12 2HB PRO 12 -12.575 -8.699 -2.001 69 HG2 PRO 12 1HG PRO 12 -10.656 -7.032 -3.582 70 HG3 PRO 12 2HG PRO 12 -11.254 -8.668 -3.915 71 HD2 PRO 12 1HD PRO 12 -12.245 -6.474 -5.154 72 HD3 PRO 12 2HD PRO 12 -13.241 -7.899 -4.793 73 H TYR 13 H TYR 13 -11.040 -5.274 -2.971 74 HA TYR 13 HA TYR 13 -11.168 -3.074 -1.110 75 HB2 TYR 13 1HB TYR 13 -8.623 -4.694 -1.165 76 HB3 TYR 13 2HB TYR 13 -9.030 -3.356 -0.097 77 HD1 TYR 13 HD1 TYR 13 -10.808 -3.694 1.653 78 HD2 TYR 13 HD2 TYR 13 -9.193 -6.918 -0.606 79 HE1 TYR 13 HE1 TYR 13 -11.653 -5.284 3.328 80 HE2 TYR 13 HE2 TYR 13 -10.035 -8.517 1.063 81 HH TYR 13 HH TYR 13 -11.612 -8.709 2.797 82 H LYS 14 H LYS 14 -11.015 -1.420 -2.464 83 HA LYS 14 HA LYS 14 -9.048 -1.563 -4.653 84 HB2 LYS 14 1HB LYS 14 -11.218 -1.355 -5.598 85 HB3 LYS 14 2HB LYS 14 -11.684 -0.117 -4.439 86 HG2 LYS 14 1HG LYS 14 -9.388 0.462 -6.223 87 HG3 LYS 14 2HG LYS 14 -11.007 0.463 -6.927 88 HD2 LYS 14 1HD LYS 14 -11.606 1.964 -4.890 89 HD3 LYS 14 2HD LYS 14 -9.863 2.229 -4.797 90 HE2 LYS 14 1HE LYS 14 -9.797 3.386 -6.768 91 HE3 LYS 14 2HE LYS 14 -11.183 2.531 -7.443 92 HZ1 LYS 14 3HZ LYS 14 -11.182 5.044 -6.335 93 HZ2 LYS 14 1HZ LYS 14 -11.926 4.069 -5.169 94 HZ3 LYS 14 2HZ LYS 14 -12.540 4.121 -6.744 95 H CYS 15 H CYS 15 -7.692 0.184 -5.037 96 HA CYS 15 HA CYS 15 -7.205 1.866 -2.719 97 HB2 CYS 15 1HB CYS 15 -5.410 0.620 -4.087 98 HB3 CYS 15 2HB CYS 15 -5.619 1.902 -5.277 99 H ASN 16 H ASN 16 -8.459 3.620 -2.579 100 HA ASN 16 HA ASN 16 -9.559 4.972 -4.822 101 HB2 ASN 16 1HB ASN 16 -10.442 4.900 -2.403 102 HB3 ASN 16 2HB ASN 16 -9.274 6.178 -2.077 103 HD21 ASN 16 1HD2 ASN 16 -12.340 5.894 -2.343 104 HD22 ASN 16 2HD2 ASN 16 -12.774 7.279 -3.280 105 H GLU 17 H GLU 17 -6.460 4.901 -3.708 106 HA GLU 17 HA GLU 17 -5.800 7.686 -4.090 107 HB2 GLU 17 1HB GLU 17 -4.080 5.239 -3.667 108 HB3 GLU 17 2HB GLU 17 -3.444 6.870 -3.816 109 HG2 GLU 17 1HG GLU 17 -5.297 5.861 -1.672 110 HG3 GLU 17 2HG GLU 17 -3.584 6.237 -1.495 111 H CYS 18 H CYS 18 -5.157 4.638 -5.805 112 HA CYS 18 HA CYS 18 -4.520 6.227 -8.204 113 HB2 CYS 18 1HB CYS 18 -3.169 4.270 -8.946 114 HB3 CYS 18 2HB CYS 18 -2.561 5.015 -7.472 115 H GLY 19 H GLY 19 -5.982 3.203 -7.048 116 HA2 GLY 19 1HA GLY 19 -8.276 2.793 -7.920 117 HA3 GLY 19 2HA GLY 19 -7.628 3.190 -9.504 118 H LYS 20 H LYS 20 -5.998 1.242 -7.069 119 HA LYS 20 HA LYS 20 -6.130 -1.037 -8.927 120 HB2 LYS 20 1HB LYS 20 -4.038 -0.023 -7.070 121 HB3 LYS 20 2HB LYS 20 -4.152 -1.765 -7.281 122 HG2 LYS 20 1HG LYS 20 -3.502 -1.683 -9.476 123 HG3 LYS 20 2HG LYS 20 -4.078 -0.030 -9.698 124 HD2 LYS 20 1HD LYS 20 -2.187 0.497 -7.933 125 HD3 LYS 20 2HD LYS 20 -1.515 -1.017 -8.544 126 HE2 LYS 20 1HE LYS 20 -1.405 -0.166 -10.761 127 HE3 LYS 20 2HE LYS 20 -2.363 1.251 -10.333 128 HZ1 LYS 20 3HZ LYS 20 0.408 0.633 -9.473 129 HZ2 LYS 20 1HZ LYS 20 -0.514 1.894 -8.823 130 HZ3 LYS 20 2HZ LYS 20 -0.100 1.908 -10.462 131 H VAL 21 H VAL 21 -7.088 -2.878 -8.317 132 HA VAL 21 HA VAL 21 -8.058 -3.056 -5.544 133 HB VAL 21 HB VAL 21 -9.105 -4.432 -8.023 134 HG11 VAL 21 1HG1 VAL 21 -9.723 -4.706 -5.130 135 HG12 VAL 21 2HG1 VAL 21 -11.062 -4.787 -6.277 136 HG13 VAL 21 3HG1 VAL 21 -9.718 -5.922 -6.407 137 HG21 VAL 21 3HG2 VAL 21 -10.162 -2.502 -8.380 138 HG22 VAL 21 1HG2 VAL 21 -11.095 -2.843 -6.923 139 HG23 VAL 21 2HG2 VAL 21 -9.641 -1.849 -6.827 140 H PHE 22 H PHE 22 -7.817 -4.946 -4.365 141 HA PHE 22 HA PHE 22 -6.074 -7.006 -5.539 142 HB2 PHE 22 1HB PHE 22 -5.866 -6.011 -2.692 143 HB3 PHE 22 2HB PHE 22 -4.799 -7.155 -3.501 144 HD1 PHE 22 HD2 PHE 22 -6.022 -3.649 -3.795 145 HD2 PHE 22 HD1 PHE 22 -2.829 -6.393 -4.416 146 HE1 PHE 22 HE2 PHE 22 -4.565 -1.791 -4.487 147 HE2 PHE 22 HE1 PHE 22 -1.366 -4.540 -5.108 148 HZ PHE 22 HZ PHE 22 -2.234 -2.235 -5.145 149 H THR 23 H THR 23 -6.519 -9.102 -5.003 150 HA THR 23 HA THR 23 -9.134 -9.738 -4.170 151 HB THR 23 HB THR 23 -8.252 -12.109 -4.040 152 HG1 THR 23 HG1 THR 23 -6.068 -12.190 -5.135 153 HG21 THR 23 3HG2 THR 23 -8.805 -12.210 -6.196 154 HG22 THR 23 1HG2 THR 23 -7.312 -11.398 -6.663 155 HG23 THR 23 2HG2 THR 23 -8.740 -10.449 -6.252 156 H GLN 24 H GLN 24 -6.302 -9.060 -2.393 157 HA GLN 24 HA GLN 24 -7.646 -9.928 0.071 158 HB2 GLN 24 1HB GLN 24 -4.731 -10.329 -0.615 159 HB3 GLN 24 2HB GLN 24 -5.407 -10.554 0.993 160 HG2 GLN 24 1HG GLN 24 -6.294 -12.075 -1.446 161 HG3 GLN 24 2HG GLN 24 -5.099 -12.654 -0.286 162 HE21 GLN 24 1HE2 GLN 24 -6.938 -14.361 -0.437 163 HE22 GLN 24 2HE2 GLN 24 -8.139 -14.242 0.799 164 H ASN 25 H ASN 25 -7.705 -8.432 1.635 165 HA ASN 25 HA ASN 25 -7.072 -5.774 1.179 166 HB2 ASN 25 1HB ASN 25 -7.339 -5.484 3.651 167 HB3 ASN 25 2HB ASN 25 -8.657 -6.372 2.891 168 HD21 ASN 25 1HD2 ASN 25 -9.220 -8.239 3.756 169 HD22 ASN 25 2HD2 ASN 25 -8.284 -9.153 4.885 170 H SER 26 H SER 26 -5.241 -8.195 3.026 171 HA SER 26 HA SER 26 -3.189 -6.675 4.005 172 HB2 SER 26 1HB SER 26 -3.281 -8.992 4.575 173 HB3 SER 26 2HB SER 26 -3.133 -9.482 2.888 174 HG SER 26 HG SER 26 -1.132 -8.067 4.319 175 H HIS 27 H HIS 27 -3.556 -7.928 0.726 176 HA HIS 27 HA HIS 27 -1.019 -7.189 -0.241 177 HB2 HIS 27 1HB HIS 27 -3.644 -7.482 -1.717 178 HB3 HIS 27 2HB HIS 27 -2.067 -7.347 -2.490 179 HD2 HIS 27 HD2 HIS 27 -0.890 -9.552 -0.009 180 HE1 HIS 27 HE1 HIS 27 -3.166 -12.198 -2.421 181 HE2 HIS 27 HE2 HIS 27 -1.456 -12.010 -0.581 182 H LEU 28 H LEU 28 -4.100 -5.454 -0.139 183 HA LEU 28 HA LEU 28 -3.217 -3.187 -1.589 184 HB2 LEU 28 1HB LEU 28 -5.540 -3.525 -1.450 185 HB3 LEU 28 2HB LEU 28 -5.493 -3.677 0.305 186 HG LEU 28 HG LEU 28 -4.848 -1.220 0.354 187 HD11 LEU 28 1HD1 LEU 28 -5.728 -1.440 -2.518 188 HD12 LEU 28 2HD1 LEU 28 -4.153 -0.920 -1.921 189 HD13 LEU 28 3HD1 LEU 28 -5.578 0.077 -1.631 190 HD21 LEU 28 3HD2 LEU 28 -7.149 -2.274 0.765 191 HD22 LEU 28 1HD2 LEU 28 -7.559 -1.682 -0.845 192 HD23 LEU 28 2HD2 LEU 28 -7.083 -0.545 0.418 193 H ALA 29 H ALA 29 -3.881 -3.520 1.903 194 HA ALA 29 HA ALA 29 -3.007 -1.173 2.883 195 HB1 ALA 29 3HB ALA 29 -1.984 -2.638 4.808 196 HB2 ALA 29 1HB ALA 29 -3.725 -2.591 4.532 197 HB3 ALA 29 2HB ALA 29 -2.773 -3.950 3.932 198 H ARG 30 H ARG 30 -0.838 -3.931 2.239 199 HA ARG 30 HA ARG 30 1.553 -2.638 2.883 200 HB2 ARG 30 1HB ARG 30 2.668 -4.406 1.655 201 HB3 ARG 30 2HB ARG 30 1.327 -5.080 2.572 202 HG2 ARG 30 1HG ARG 30 0.068 -5.496 0.681 203 HG3 ARG 30 2HG ARG 30 0.944 -4.308 -0.287 204 HD2 ARG 30 1HD ARG 30 2.307 -6.754 0.786 205 HD3 ARG 30 2HD ARG 30 1.384 -6.808 -0.716 206 HE ARG 30 HE ARG 30 3.938 -5.527 -0.282 207 HH11 ARG 30 1HH1 ARG 30 1.121 -5.785 -2.311 208 HH12 ARG 30 2HH1 ARG 30 1.917 -5.159 -3.718 209 HH21 ARG 30 1HH2 ARG 30 4.997 -4.702 -2.126 210 HH22 ARG 30 2HH2 ARG 30 4.121 -4.545 -3.612 211 H HIS 31 H HIS 31 -0.324 -2.674 -0.082 212 HA HIS 31 HA HIS 31 1.663 -1.453 -1.717 213 HB2 HIS 31 1HB HIS 31 0.100 -2.507 -3.029 214 HB3 HIS 31 2HB HIS 31 -1.240 -2.069 -1.974 215 HD1 HIS 31 HD1 HIS 31 1.002 -0.530 -4.607 216 HD2 HIS 31 HD2 HIS 31 -2.675 0.110 -2.783 217 HE1 HIS 31 HE1 HIS 31 -0.063 1.355 -5.886 218 H ARG 32 H ARG 32 -1.152 -0.221 0.055 219 HA ARG 32 HA ARG 32 -1.276 2.371 -0.727 220 HB2 ARG 32 1HB ARG 32 -1.313 1.700 2.205 221 HB3 ARG 32 2HB ARG 32 -2.275 2.892 1.340 222 HG2 ARG 32 1HG ARG 32 -3.395 0.979 0.159 223 HG3 ARG 32 2HG ARG 32 -2.567 -0.098 1.285 224 HD2 ARG 32 1HD ARG 32 -4.662 1.972 1.854 225 HD3 ARG 32 2HD ARG 32 -4.677 0.252 2.241 226 HE ARG 32 HE ARG 32 -2.540 1.366 3.611 227 HH11 ARG 32 1HH1 ARG 32 -6.007 1.679 3.540 228 HH12 ARG 32 2HH1 ARG 32 -6.131 2.129 5.209 229 HH21 ARG 32 1HH2 ARG 32 -2.691 1.957 5.809 230 HH22 ARG 32 2HH2 ARG 32 -4.244 2.287 6.499 231 H GLY 33 H GLY 33 1.347 0.856 0.910 232 HA2 GLY 33 1HA GLY 33 2.562 3.031 2.174 233 HA3 GLY 33 2HA GLY 33 3.412 1.624 1.551 234 H ILE 34 H ILE 34 2.812 1.931 -1.181 235 HA ILE 34 HA ILE 34 4.869 3.633 -2.004 236 HB ILE 34 HB ILE 34 4.154 3.247 -4.260 237 HG12 ILE 34 1HG1 ILE 34 1.654 1.848 -3.439 238 HG13 ILE 34 2HG1 ILE 34 1.638 3.608 -3.454 239 HG21 ILE 34 1HG2 ILE 34 5.115 1.272 -3.808 240 HG22 ILE 34 2HG2 ILE 34 4.206 1.063 -2.312 241 HG23 ILE 34 3HG2 ILE 34 3.468 0.643 -3.857 242 HD11 ILE 34 3HD1 ILE 34 1.899 1.692 -5.710 243 HD12 ILE 34 1HD1 ILE 34 0.902 3.140 -5.564 244 HD13 ILE 34 2HD1 ILE 34 2.637 3.288 -5.849 245 H HIS 35 H HIS 35 1.633 4.334 -1.157 246 HA HIS 35 HA HIS 35 1.504 6.807 -2.667 247 HB2 HIS 35 1HB HIS 35 -0.363 5.415 -0.761 248 HB3 HIS 35 2HB HIS 35 -0.660 7.070 -1.284 249 HD1 HIS 35 HD1 HIS 35 -0.441 7.186 -4.138 250 HD2 HIS 35 HD2 HIS 35 -1.732 3.689 -2.305 251 HE1 HIS 35 HE1 HIS 35 -1.679 5.911 -5.918 252 H THR 36 H THR 36 1.697 5.825 0.741 253 HA THR 36 HA THR 36 1.642 8.283 1.973 254 HB THR 36 HB THR 36 2.658 7.308 3.851 255 HG1 THR 36 HG1 THR 36 3.869 5.198 3.412 256 HG21 THR 36 3HG2 THR 36 1.690 4.816 2.495 257 HG22 THR 36 1HG2 THR 36 0.570 6.123 2.875 258 HG23 THR 36 2HG2 THR 36 1.470 5.330 4.168 259 H GLY 37 H GLY 37 4.338 6.723 0.321 260 HA2 GLY 37 1HA GLY 37 6.114 8.943 1.004 261 HA3 GLY 37 2HA GLY 37 6.576 7.456 0.188 262 H GLU 38 H GLU 38 3.843 9.449 -0.751 263 HA GLU 38 HA GLU 38 5.352 10.397 -3.086 264 HB2 GLU 38 1HB GLU 38 2.856 8.770 -3.040 265 HB3 GLU 38 2HB GLU 38 2.997 10.023 -4.266 266 HG2 GLU 38 1HG GLU 38 5.185 8.026 -3.870 267 HG3 GLU 38 2HG GLU 38 3.757 7.628 -4.824 268 H LYS 39 H LYS 39 4.851 12.428 -3.790 269 HA LYS 39 HA LYS 39 2.486 13.828 -3.168 270 HB2 LYS 39 1HB LYS 39 3.154 15.306 -1.449 271 HB3 LYS 39 2HB LYS 39 3.615 13.703 -0.892 272 HG2 LYS 39 1HG LYS 39 5.584 15.437 -2.326 273 HG3 LYS 39 2HG LYS 39 5.268 15.658 -0.603 274 HD2 LYS 39 1HD LYS 39 5.719 13.164 -0.363 275 HD3 LYS 39 2HD LYS 39 6.361 13.232 -2.007 276 HE2 LYS 39 1HE LYS 39 8.036 14.819 -1.347 277 HE3 LYS 39 2HE LYS 39 7.324 14.974 0.258 278 HZ1 LYS 39 3HZ LYS 39 7.782 12.339 0.120 279 HZ2 LYS 39 1HZ LYS 39 8.858 13.454 0.799 280 HZ3 LYS 39 2HZ LYS 39 9.077 12.929 -0.794 281 HA PRO 40 HA PRO 40 4.090 16.318 -6.415 282 HB2 PRO 40 1HB PRO 40 2.602 18.562 -6.069 283 HB3 PRO 40 2HB PRO 40 1.938 17.060 -6.723 284 HG2 PRO 40 1HG PRO 40 1.776 18.148 -3.939 285 HG3 PRO 40 2HG PRO 40 0.510 17.382 -4.916 286 HD2 PRO 40 1HD PRO 40 1.865 16.053 -2.984 287 HD3 PRO 40 2HD PRO 40 1.265 15.254 -4.451 288 H SER 41 H SER 41 4.657 16.944 -3.185 289 HA SER 41 HA SER 41 6.153 18.234 -2.056 290 HB2 SER 41 1HB SER 41 7.732 17.378 -3.746 291 HB3 SER 41 2HB SER 41 7.316 18.721 -4.810 292 HG SER 41 HG SER 41 8.800 19.786 -3.792 293 H GLY 42 H GLY 42 3.755 19.444 -2.508 294 HA2 GLY 42 1HA GLY 42 3.680 21.881 -3.806 295 HA3 GLY 42 2HA GLY 42 2.777 21.516 -2.343 296 HA PRO 43 HA PRO 43 6.439 24.581 -1.711 297 HB2 PRO 43 1HB PRO 43 5.231 26.957 -2.229 298 HB3 PRO 43 2HB PRO 43 6.111 26.039 -3.457 299 HG2 PRO 43 1HG PRO 43 3.163 26.186 -2.952 300 HG3 PRO 43 2HG PRO 43 4.037 26.220 -4.495 301 HD2 PRO 43 1HD PRO 43 2.827 23.988 -3.555 302 HD3 PRO 43 2HD PRO 43 4.304 23.931 -4.538 303 H SER 44 H SER 44 3.026 24.581 -0.965 304 HA SER 44 HA SER 44 3.054 26.352 1.221 305 HB2 SER 44 1HB SER 44 0.995 25.545 0.064 306 HB3 SER 44 2HB SER 44 1.230 23.970 0.821 307 HG SER 44 HG SER 44 -0.184 25.722 1.857 308 H SER 45 H SER 45 3.125 22.786 1.186 309 HA SER 45 HA SER 45 4.716 22.853 3.644 310 HB2 SER 45 1HB SER 45 2.519 22.511 4.516 311 HB3 SER 45 2HB SER 45 2.133 21.332 3.263 312 HG SER 45 HG SER 45 2.659 20.331 5.253 313 H GLY 46 H GLY 46 5.705 20.716 4.133 314 HA2 GLY 46 1HA GLY 46 5.791 18.479 2.602 315 HA3 GLY 46 2HA GLY 46 6.802 19.605 1.707
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