NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
647307 | 6txt | 34477 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 1 HT1 ASN 1 -29.624 -1.148 -2.573 2 H2 ASN 1 HT2 ASN 1 -30.973 -0.734 -3.518 3 H3 ASN 1 HT3 ASN 1 -30.869 -2.274 -2.809 4 HA ASN 1 HA ASN 1 -30.810 -1.075 -0.588 5 HB2 ASN 1 HB2 ASN 1 -32.096 1.097 -2.253 6 HB3 ASN 1 HB1 ASN 1 -31.669 1.156 -0.544 7 HD21 ASN 1 HD21 ASN 1 -29.110 0.514 -0.289 8 HD22 ASN 1 HD22 ASN 1 -28.090 1.404 -1.328 9 H LEU 2 HN LEU 2 -33.050 -0.803 -3.346 10 HA LEU 2 HA LEU 2 -35.226 -1.489 -3.621 11 HB2 LEU 2 HB2 LEU 2 -34.501 -3.438 -1.416 12 HB3 LEU 2 HB1 LEU 2 -35.872 -3.580 -2.515 13 HG LEU 2 HG LEU 2 -32.960 -3.527 -3.367 14 HD11 LEU 2 HD11 LEU 2 -34.906 -5.847 -3.437 15 HD12 LEU 2 HD12 LEU 2 -33.766 -5.592 -2.114 16 HD13 LEU 2 HD13 LEU 2 -33.170 -5.887 -3.748 17 HD21 LEU 2 HD21 LEU 2 -34.326 -2.643 -5.133 18 HD22 LEU 2 HD22 LEU 2 -35.573 -3.860 -4.865 19 HD23 LEU 2 HD23 LEU 2 -34.017 -4.328 -5.549 20 H THR 3 HN THR 3 -34.617 0.653 -1.726 21 HA THR 3 HA THR 3 -37.176 0.643 -0.316 22 HB THR 3 HB THR 3 -35.514 -0.274 1.303 23 HG1 THR 3 HG1 THR 3 -35.987 1.329 2.911 24 HG21 THR 3 HG21 THR 3 -33.691 1.092 2.081 25 HG22 THR 3 HG22 THR 3 -34.234 2.462 1.112 26 HG23 THR 3 HG23 THR 3 -33.581 1.026 0.322 27 H LYS 4 HN LYS 4 -37.896 2.748 0.266 28 HA LYS 4 HA LYS 4 -36.333 4.958 -0.925 29 HB2 LYS 4 HB2 LYS 4 -39.315 4.479 -1.140 30 HB3 LYS 4 HB1 LYS 4 -38.495 5.951 -1.660 31 HG2 LYS 4 HG2 LYS 4 -37.111 4.634 -3.223 32 HG3 LYS 4 HG1 LYS 4 -37.935 3.160 -2.708 33 HD2 LYS 4 HD2 LYS 4 -40.087 4.089 -3.483 34 HD3 LYS 4 HD1 LYS 4 -39.263 5.560 -4.005 35 HE2 LYS 4 HE2 LYS 4 -37.891 4.242 -5.572 36 HE3 LYS 4 HE1 LYS 4 -38.704 2.767 -5.048 37 HZ1 LYS 4 HZ1 LYS 4 -39.758 3.510 -7.023 38 HZ2 LYS 4 HZ2 LYS 4 -39.913 5.096 -6.432 39 HZ3 LYS 4 HZ3 LYS 4 -40.823 3.838 -5.744 40 H GLN 5 HN GLN 5 -36.491 6.957 0.099 41 HA GLN 5 HA GLN 5 -36.647 8.366 1.905 42 HB2 GLN 5 HB2 GLN 5 -39.031 8.312 1.246 43 HB3 GLN 5 HB1 GLN 5 -39.281 6.933 2.317 44 HG2 GLN 5 HG2 GLN 5 -38.597 8.276 4.249 45 HG3 GLN 5 HG1 GLN 5 -38.269 9.652 3.197 46 HE21 GLN 5 HE21 GLN 5 -40.081 10.246 5.106 47 HE22 GLN 5 HE22 GLN 5 -41.667 10.237 4.502 48 H LYS 6 HN LYS 6 -35.024 7.741 3.263 49 HA LYS 6 HA LYS 6 -35.829 6.232 5.624 50 HB2 LYS 6 HB2 LYS 6 -33.944 4.690 5.513 51 HB3 LYS 6 HB1 LYS 6 -34.943 4.510 4.070 52 HG2 LYS 6 HG2 LYS 6 -33.399 5.982 2.819 53 HG3 LYS 6 HG1 LYS 6 -32.391 6.140 4.258 54 HD2 LYS 6 HD2 LYS 6 -32.012 3.701 4.265 55 HD3 LYS 6 HD1 LYS 6 -33.015 3.542 2.823 56 HE2 LYS 6 HE2 LYS 6 -31.464 4.997 1.576 57 HE3 LYS 6 HE1 LYS 6 -30.461 5.166 3.016 58 HZ1 LYS 6 HZ1 LYS 6 -30.113 2.773 3.009 59 HZ2 LYS 6 HZ2 LYS 6 -29.593 3.465 1.546 60 HZ3 LYS 6 HZ3 LYS 6 -31.066 2.619 1.613 61 H ASP 7 HN ASP 7 -34.321 6.475 7.395 62 HA ASP 7 HA ASP 7 -32.505 8.788 7.062 63 HB2 ASP 7 HB2 ASP 7 -34.561 9.401 8.291 64 HB3 ASP 7 HB1 ASP 7 -34.226 8.131 9.465 65 H ALA 8 HN ALA 8 -30.510 7.914 7.113 66 HA ALA 8 HA ALA 8 -29.729 6.444 9.514 67 HB1 ALA 8 HB1 ALA 8 -30.268 4.591 8.113 68 HB2 ALA 8 HB2 ALA 8 -28.512 4.748 8.066 69 HB3 ALA 8 HB3 ALA 8 -29.487 5.332 6.717 70 H VAL 9 HN VAL 9 -27.505 6.545 9.955 71 HA VAL 9 HA VAL 9 -25.967 8.383 8.219 72 HB VAL 9 HB VAL 9 -25.958 8.236 11.244 73 HG11 VAL 9 HG11 VAL 9 -23.726 8.715 10.381 74 HG12 VAL 9 HG12 VAL 9 -24.423 10.197 11.036 75 HG13 VAL 9 HG13 VAL 9 -24.379 9.939 9.292 76 HG21 VAL 9 HG21 VAL 9 -26.965 10.428 11.160 77 HG22 VAL 9 HG22 VAL 9 -27.926 9.373 10.121 78 HG23 VAL 9 HG23 VAL 9 -26.777 10.506 9.408 79 H SER 10 HN SER 10 -24.081 7.596 7.513 80 HA SER 10 HA SER 10 -22.544 5.728 9.123 81 HB2 SER 10 HB2 SER 10 -22.478 3.971 7.449 82 HB3 SER 10 HB1 SER 10 -24.154 4.278 7.895 83 HG SER 10 HG SER 10 -24.385 5.494 6.022 84 H ASP 11 HN ASP 11 -20.424 5.272 8.161 85 HA ASP 11 HA ASP 11 -19.389 7.639 6.837 86 HB2 ASP 11 HB2 ASP 11 -17.200 6.711 7.304 87 HB3 ASP 11 HB1 ASP 11 -18.199 6.596 8.748 88 H THR 12 HN THR 12 -17.444 6.978 5.232 89 HA THR 12 HA THR 12 -18.299 4.904 3.358 90 HB THR 12 HB THR 12 -19.527 6.963 2.680 91 HG1 THR 12 HG1 THR 12 -18.603 6.956 0.510 92 HG21 THR 12 HG21 THR 12 -17.694 8.506 3.531 93 HG22 THR 12 HG22 THR 12 -18.346 8.911 1.942 94 HG23 THR 12 HG23 THR 12 -16.788 8.094 2.074 95 H GLY 13 HN GLY 13 -16.669 4.293 1.877 96 HA2 GLY 13 HA2 GLY 13 -13.969 5.277 2.589 97 HA3 GLY 13 HA1 GLY 13 -14.308 3.619 2.137 98 H THR 14 HN THR 14 -13.356 3.228 0.317 99 HA THR 14 HA THR 14 -12.923 3.258 -1.936 100 HB THR 14 HB THR 14 -14.555 5.766 -2.266 101 HG1 THR 14 HG1 THR 14 -15.972 4.529 -1.192 102 HG21 THR 14 HG21 THR 14 -15.057 4.679 -4.443 103 HG22 THR 14 HG22 THR 14 -14.035 3.319 -3.977 104 HG23 THR 14 HG23 THR 14 -13.326 4.918 -4.204 105 H ALA 15 HN ALA 15 -13.287 6.656 -0.911 106 HA ALA 15 HA ALA 15 -10.870 7.447 -2.182 107 HB1 ALA 15 HB1 ALA 15 -11.313 9.581 -1.400 108 HB2 ALA 15 HB2 ALA 15 -11.950 8.991 0.135 109 HB3 ALA 15 HB3 ALA 15 -12.933 8.885 -1.326 110 H ALA 16 HN ALA 16 -11.778 6.547 1.065 111 HA ALA 16 HA ALA 16 -9.284 7.016 2.273 112 HB1 ALA 16 HB1 ALA 16 -10.180 5.206 3.929 113 HB2 ALA 16 HB2 ALA 16 -11.665 5.333 2.986 114 HB3 ALA 16 HB3 ALA 16 -11.024 6.750 3.818 115 H VAL 17 HN VAL 17 -10.666 4.325 0.589 116 HA VAL 17 HA VAL 17 -8.703 2.382 1.176 117 HB VAL 17 HB VAL 17 -10.441 2.805 -1.256 118 HG11 VAL 17 HG11 VAL 17 -8.599 0.511 -0.550 119 HG12 VAL 17 HG12 VAL 17 -8.529 1.527 -1.992 120 HG13 VAL 17 HG13 VAL 17 -9.875 0.422 -1.762 121 HG21 VAL 17 HG21 VAL 17 -11.866 1.226 -0.282 122 HG22 VAL 17 HG22 VAL 17 -11.373 2.202 1.095 123 HG23 VAL 17 HG23 VAL 17 -10.623 0.629 0.813 124 H VAL 18 HN VAL 18 -8.926 4.815 -1.340 125 HA VAL 18 HA VAL 18 -6.571 4.016 -2.693 126 HB VAL 18 HB VAL 18 -8.108 6.610 -2.667 127 HG11 VAL 18 HG11 VAL 18 -5.762 7.073 -3.258 128 HG12 VAL 18 HG12 VAL 18 -6.789 7.191 -4.686 129 HG13 VAL 18 HG13 VAL 18 -5.794 5.759 -4.434 130 HG21 VAL 18 HG21 VAL 18 -9.356 4.824 -3.674 131 HG22 VAL 18 HG22 VAL 18 -7.932 4.195 -4.502 132 HG23 VAL 18 HG23 VAL 18 -8.648 5.724 -5.015 133 H LYS 19 HN LYS 19 -7.213 6.420 -0.209 134 HA LYS 19 HA LYS 19 -4.617 7.499 -0.046 135 HB2 LYS 19 HB2 LYS 19 -6.577 8.649 0.828 136 HB3 LYS 19 HB1 LYS 19 -6.808 7.382 2.029 137 HG2 LYS 19 HG2 LYS 19 -5.686 9.283 3.067 138 HG3 LYS 19 HG1 LYS 19 -4.564 7.929 2.986 139 HD2 LYS 19 HD2 LYS 19 -3.505 8.880 0.998 140 HD3 LYS 19 HD1 LYS 19 -4.683 10.191 0.968 141 HE2 LYS 19 HE2 LYS 19 -3.889 10.956 3.175 142 HE3 LYS 19 HE1 LYS 19 -2.712 9.642 3.206 143 HZ1 LYS 19 HZ1 LYS 19 -1.561 10.553 1.389 144 HZ2 LYS 19 HZ2 LYS 19 -1.875 11.864 2.423 145 HZ3 LYS 19 HZ3 LYS 19 -2.811 11.640 1.023 146 H VAL 20 HN VAL 20 -6.122 4.825 1.843 147 HA VAL 20 HA VAL 20 -3.898 4.599 3.605 148 HB VAL 20 HB VAL 20 -5.034 2.562 4.358 149 HG11 VAL 20 HG11 VAL 20 -5.664 4.632 5.376 150 HG12 VAL 20 HG12 VAL 20 -7.179 3.814 4.996 151 HG13 VAL 20 HG13 VAL 20 -6.602 5.122 3.966 152 HG21 VAL 20 HG21 VAL 20 -6.180 1.501 2.630 153 HG22 VAL 20 HG22 VAL 20 -6.606 3.012 1.843 154 HG23 VAL 20 HG23 VAL 20 -7.507 2.480 3.245 155 H VAL 21 HN VAL 21 -4.986 2.492 0.957 156 HA VAL 21 HA VAL 21 -2.859 0.667 1.204 157 HB VAL 21 HB VAL 21 -4.596 1.322 -1.168 158 HG11 VAL 21 HG11 VAL 21 -2.289 0.228 -1.731 159 HG12 VAL 21 HG12 VAL 21 -3.753 -0.576 -2.304 160 HG13 VAL 21 HG13 VAL 21 -2.920 -1.179 -0.872 161 HG21 VAL 21 HG21 VAL 21 -4.667 -0.654 1.110 162 HG22 VAL 21 HG22 VAL 21 -5.430 -1.069 -0.419 163 HG23 VAL 21 HG23 VAL 21 -5.964 0.355 0.469 164 H GLU 22 HN GLU 22 -3.172 3.513 -0.922 165 HA GLU 22 HA GLU 22 -0.745 3.155 -2.263 166 HB2 GLU 22 HB2 GLU 22 -2.416 5.604 -1.752 167 HB3 GLU 22 HB1 GLU 22 -0.959 5.629 -2.744 168 HG2 GLU 22 HG2 GLU 22 -1.883 3.977 -4.255 169 HG3 GLU 22 HG1 GLU 22 -3.290 3.747 -3.211 170 H SER 23 HN SER 23 -1.399 4.832 0.834 171 HA SER 23 HA SER 23 1.169 6.083 0.966 172 HB2 SER 23 HB2 SER 23 -0.694 6.844 2.360 173 HB3 SER 23 HB1 SER 23 -0.738 5.285 3.179 174 HG SER 23 HG SER 23 0.634 7.317 3.918 175 H GLN 24 HN GLN 24 -0.153 3.121 2.392 176 HA GLN 24 HA GLN 24 2.280 2.256 3.583 177 HB2 GLN 24 HB2 GLN 24 -0.240 0.762 2.827 178 HB3 GLN 24 HB1 GLN 24 1.097 0.037 3.721 179 HG2 GLN 24 HG2 GLN 24 -0.471 2.487 4.590 180 HG3 GLN 24 HG1 GLN 24 -0.667 0.862 5.251 181 HE21 GLN 24 HE21 GLN 24 0.593 3.671 6.195 182 HE22 GLN 24 HE22 GLN 24 1.986 3.150 7.012 183 H ALA 25 HN ALA 25 0.732 1.643 0.515 184 HA ALA 25 HA ALA 25 2.283 -0.443 -0.446 185 HB1 ALA 25 HB1 ALA 25 0.448 -0.009 -1.780 186 HB2 ALA 25 HB2 ALA 25 1.743 0.706 -2.739 187 HB3 ALA 25 HB3 ALA 25 0.710 1.733 -1.746 188 H GLU 26 HN GLU 26 2.714 3.038 -0.644 189 HA GLU 26 HA GLU 26 5.040 3.048 -2.247 190 HB2 GLU 26 HB2 GLU 26 3.638 5.046 -1.926 191 HB3 GLU 26 HB1 GLU 26 4.096 5.093 -0.223 192 HG2 GLU 26 HG2 GLU 26 6.448 5.386 -0.834 193 HG3 GLU 26 HG1 GLU 26 6.039 5.270 -2.542 194 H LEU 27 HN LEU 27 4.476 3.004 1.248 195 HA LEU 27 HA LEU 27 7.207 3.265 1.962 196 HB2 LEU 27 HB2 LEU 27 5.395 3.786 3.533 197 HB3 LEU 27 HB1 LEU 27 4.918 2.087 3.547 198 HG LEU 27 HG LEU 27 7.216 1.495 4.342 199 HD11 LEU 27 HD11 LEU 27 8.549 3.300 3.574 200 HD12 LEU 27 HD12 LEU 27 8.526 3.460 5.330 201 HD13 LEU 27 HD13 LEU 27 7.505 4.501 4.337 202 HD21 LEU 27 HD21 LEU 27 5.431 1.726 5.987 203 HD22 LEU 27 HD22 LEU 27 5.636 3.477 6.016 204 HD23 LEU 27 HD23 LEU 27 6.903 2.430 6.656 205 H TYR 28 HN TYR 28 5.154 0.470 1.317 206 HA TYR 28 HA TYR 28 7.036 -1.432 2.328 207 HB2 TYR 28 HB2 TYR 28 4.607 -1.955 2.095 208 HB3 TYR 28 HB1 TYR 28 4.802 -1.987 0.341 209 HD1 TYR 28 HD1 TYR 28 5.567 -3.660 3.518 210 HD2 TYR 28 HD2 TYR 28 6.196 -3.734 -0.730 211 HE1 TYR 28 HE1 TYR 28 6.442 -5.973 3.687 212 HE2 TYR 28 HE2 TYR 28 7.063 -6.050 -0.561 213 HH TYR 28 HH TYR 28 6.727 -7.937 2.270 214 H GLU 29 HN GLU 29 6.307 0.149 -0.686 215 HA GLU 29 HA GLU 29 8.130 -1.311 -2.297 216 HB2 GLU 29 HB2 GLU 29 6.944 1.454 -2.523 217 HB3 GLU 29 HB1 GLU 29 8.021 0.757 -3.746 218 HG2 GLU 29 HG2 GLU 29 6.570 -1.043 -4.170 219 HG3 GLU 29 HG1 GLU 29 5.671 -0.744 -2.690 220 H LEU 30 HN LEU 30 8.429 1.501 -0.103 221 HA LEU 30 HA LEU 30 11.088 2.102 -0.916 222 HB2 LEU 30 HB2 LEU 30 9.771 3.661 0.476 223 HB3 LEU 30 HB1 LEU 30 9.735 2.470 1.781 224 HG LEU 30 HG LEU 30 12.209 2.547 1.904 225 HD11 LEU 30 HD11 LEU 30 11.844 4.603 -0.288 226 HD12 LEU 30 HD12 LEU 30 12.824 3.137 -0.334 227 HD13 LEU 30 HD13 LEU 30 13.314 4.495 0.681 228 HD21 LEU 30 HD21 LEU 30 12.373 4.882 2.798 229 HD22 LEU 30 HD22 LEU 30 10.940 4.025 3.368 230 HD23 LEU 30 HD23 LEU 30 10.797 5.227 2.085 231 H LYS 31 HN LYS 31 9.626 0.062 1.585 232 HA LYS 31 HA LYS 31 11.943 -0.985 2.744 233 HB2 LYS 31 HB2 LYS 31 9.718 -1.464 3.656 234 HB3 LYS 31 HB1 LYS 31 9.329 -2.429 2.241 235 HG2 LYS 31 HG2 LYS 31 10.017 -3.906 4.053 236 HG3 LYS 31 HG1 LYS 31 11.233 -3.942 2.777 237 HD2 LYS 31 HD2 LYS 31 12.685 -2.470 4.009 238 HD3 LYS 31 HD1 LYS 31 11.426 -2.133 5.198 239 HE2 LYS 31 HE2 LYS 31 13.016 -3.759 6.109 240 HE3 LYS 31 HE1 LYS 31 11.447 -4.527 5.864 241 HZ1 LYS 31 HZ1 LYS 31 13.451 -5.788 5.044 242 HZ2 LYS 31 HZ2 LYS 31 13.589 -4.614 3.823 243 HZ3 LYS 31 HZ3 LYS 31 12.195 -5.579 3.925 244 H ASN 32 HN ASN 32 10.093 -2.132 -0.037 245 HA ASN 32 HA ASN 32 12.531 -3.514 -1.023 246 HB2 ASN 32 HB2 ASN 32 9.686 -4.543 -1.183 247 HB3 ASN 32 HB1 ASN 32 11.098 -5.313 -1.903 248 HD21 ASN 32 HD21 ASN 32 9.163 -5.995 0.499 249 HD22 ASN 32 HD22 ASN 32 10.248 -6.461 1.719 250 H THR 33 HN THR 33 12.935 -1.689 -2.352 251 HA THR 33 HA THR 33 11.021 -0.572 -4.112 252 HB THR 33 HB THR 33 14.045 -0.550 -4.277 253 HG1 THR 33 HG1 THR 33 13.758 1.472 -3.279 254 HG21 THR 33 HG21 THR 33 13.197 0.057 -6.425 255 HG22 THR 33 HG22 THR 33 13.562 1.573 -5.601 256 HG23 THR 33 HG23 THR 33 11.895 1.012 -5.715 257 H ASN 34 HN ASN 34 13.420 -3.136 -4.567 258 HA ASN 34 HA ASN 34 13.262 -3.376 -7.342 259 HB2 ASN 34 HB2 ASN 34 14.908 -4.518 -5.820 260 HB3 ASN 34 HB1 ASN 34 13.636 -5.668 -5.411 261 HD21 ASN 34 HD21 ASN 34 14.607 -7.503 -6.463 262 HD22 ASN 34 HD22 ASN 34 14.799 -7.587 -8.147 263 H GLU 35 HN GLU 35 11.193 -4.818 -4.838 264 HA GLU 35 HA GLU 35 9.497 -5.934 -6.996 265 HB2 GLU 35 HB2 GLU 35 9.606 -6.618 -4.049 266 HB3 GLU 35 HB1 GLU 35 8.520 -7.353 -5.225 267 HG2 GLU 35 HG2 GLU 35 10.445 -8.174 -6.521 268 HG3 GLU 35 HG1 GLU 35 11.547 -7.441 -5.357 269 H LYS 36 HN LYS 36 7.318 -5.324 -7.126 270 HA LYS 36 HA LYS 36 6.621 -2.984 -5.545 271 HB2 LYS 36 HB2 LYS 36 5.698 -4.204 -8.078 272 HB3 LYS 36 HB1 LYS 36 4.452 -3.449 -7.080 273 HG2 LYS 36 HG2 LYS 36 5.544 -1.879 -8.734 274 HG3 LYS 36 HG1 LYS 36 5.651 -1.350 -7.054 275 HD2 LYS 36 HD2 LYS 36 7.919 -1.821 -6.903 276 HD3 LYS 36 HD1 LYS 36 7.852 -3.050 -8.169 277 HE2 LYS 36 HE2 LYS 36 9.007 -1.022 -8.972 278 HE3 LYS 36 HE1 LYS 36 7.508 -1.289 -9.863 279 HZ1 LYS 36 HZ1 LYS 36 6.453 0.430 -8.786 280 HZ2 LYS 36 HZ2 LYS 36 8.030 1.044 -8.932 281 HZ3 LYS 36 HZ3 LYS 36 7.501 0.397 -7.453 282 H ALA 37 HN ALA 37 5.540 -3.188 -3.746 283 HA ALA 37 HA ALA 37 4.641 -5.520 -2.592 284 HB1 ALA 37 HB1 ALA 37 3.020 -3.099 -1.981 285 HB2 ALA 37 HB2 ALA 37 4.767 -2.941 -1.764 286 HB3 ALA 37 HB3 ALA 37 3.881 -4.190 -0.890 287 H SER 38 HN SER 38 2.101 -5.480 -1.809 288 HA SER 38 HA SER 38 0.296 -4.937 -3.993 289 HB2 SER 38 HB2 SER 38 -0.351 -7.188 -4.463 290 HB3 SER 38 HB1 SER 38 1.397 -7.100 -4.673 291 HG SER 38 HG SER 38 0.351 -8.878 -3.321 292 H LEU 39 HN LEU 39 -1.890 -5.744 -3.395 293 HA LEU 39 HA LEU 39 -2.544 -4.860 -0.792 294 HB2 LEU 39 HB2 LEU 39 -4.112 -6.479 -2.808 295 HB3 LEU 39 HB1 LEU 39 -4.793 -5.975 -1.256 296 HG LEU 39 HG LEU 39 -3.542 -3.983 -3.148 297 HD11 LEU 39 HD11 LEU 39 -5.635 -3.544 -4.129 298 HD12 LEU 39 HD12 LEU 39 -6.462 -4.562 -2.968 299 HD13 LEU 39 HD13 LEU 39 -5.450 -5.294 -4.198 300 HD21 LEU 39 HD21 LEU 39 -5.723 -3.540 -1.141 301 HD22 LEU 39 HD22 LEU 39 -4.602 -2.384 -1.817 302 HD23 LEU 39 HD23 LEU 39 -4.040 -3.542 -0.628 303 H SER 40 HN SER 40 -2.057 -8.054 -2.165 304 HA SER 40 HA SER 40 -2.736 -9.543 0.143 305 HB2 SER 40 HB2 SER 40 -0.837 -10.170 -2.126 306 HB3 SER 40 HB1 SER 40 -1.318 -11.330 -0.890 307 HG SER 40 HG SER 40 -2.986 -11.654 -2.120 308 H LYS 41 HN LYS 41 0.325 -8.080 -0.933 309 HA LYS 41 HA LYS 41 1.883 -9.196 1.165 310 HB2 LYS 41 HB2 LYS 41 2.368 -6.918 -0.709 311 HB3 LYS 41 HB1 LYS 41 3.564 -7.469 0.450 312 HG2 LYS 41 HG2 LYS 41 3.490 -9.723 -0.545 313 HG3 LYS 41 HG1 LYS 41 2.290 -9.169 -1.710 314 HD2 LYS 41 HD2 LYS 41 3.898 -7.503 -2.575 315 HD3 LYS 41 HD1 LYS 41 5.101 -8.071 -1.416 316 HE2 LYS 41 HE2 LYS 41 5.023 -10.317 -2.432 317 HE3 LYS 41 HE1 LYS 41 3.816 -9.748 -3.586 318 HZ1 LYS 41 HZ1 LYS 41 5.346 -8.346 -4.609 319 HZ2 LYS 41 HZ2 LYS 41 6.232 -9.766 -4.327 320 HZ3 LYS 41 HZ3 LYS 41 6.439 -8.418 -3.315 321 H LEU 42 HN LEU 42 0.636 -5.939 0.691 322 HA LEU 42 HA LEU 42 1.690 -4.786 2.941 323 HB2 LEU 42 HB2 LEU 42 -0.891 -4.139 1.487 324 HB3 LEU 42 HB1 LEU 42 -0.141 -3.114 2.710 325 HG LEU 42 HG LEU 42 1.207 -3.968 0.139 326 HD11 LEU 42 HD11 LEU 42 0.709 -1.772 -0.688 327 HD12 LEU 42 HD12 LEU 42 0.105 -1.246 0.886 328 HD13 LEU 42 HD13 LEU 42 -0.810 -2.417 -0.069 329 HD21 LEU 42 HD21 LEU 42 2.724 -2.028 0.828 330 HD22 LEU 42 HD22 LEU 42 2.856 -3.483 1.810 331 HD23 LEU 42 HD23 LEU 42 1.943 -2.097 2.406 332 H VAL 43 HN VAL 43 -1.223 -6.599 2.359 333 HA VAL 43 HA VAL 43 -2.243 -5.954 4.895 334 HB VAL 43 HB VAL 43 -3.403 -6.557 2.693 335 HG11 VAL 43 HG11 VAL 43 -2.508 -8.858 2.578 336 HG12 VAL 43 HG12 VAL 43 -4.269 -8.831 2.611 337 HG13 VAL 43 HG13 VAL 43 -3.366 -9.246 4.067 338 HG21 VAL 43 HG21 VAL 43 -5.426 -7.282 4.093 339 HG22 VAL 43 HG22 VAL 43 -4.651 -5.769 4.564 340 HG23 VAL 43 HG23 VAL 43 -4.335 -7.245 5.478 341 H SER 44 HN SER 44 -0.393 -8.667 3.552 342 HA SER 44 HA SER 44 -0.884 -10.270 5.799 343 HB2 SER 44 HB2 SER 44 0.192 -11.209 3.770 344 HB3 SER 44 HB1 SER 44 1.577 -10.151 4.023 345 HG SER 44 HG SER 44 0.735 -12.409 5.457 346 H SER 45 HN SER 45 1.486 -8.014 4.762 347 HA SER 45 HA SER 45 3.129 -7.530 6.975 348 HB2 SER 45 HB2 SER 45 2.232 -5.740 4.725 349 HB3 SER 45 HB1 SER 45 3.470 -5.293 5.894 350 HG SER 45 HG SER 45 4.070 -6.416 3.802 351 H GLY 46 HN GLY 46 -0.054 -7.342 7.287 352 HA2 GLY 46 HA2 GLY 46 -1.676 -6.042 8.165 353 HA3 GLY 46 HA1 GLY 46 -0.591 -6.099 9.545 354 H ASN 47 HN ASN 47 0.400 -4.322 6.661 355 HA ASN 47 HA ASN 47 0.628 -1.818 7.993 356 HB2 ASN 47 HB2 ASN 47 0.470 -2.682 5.092 357 HB3 ASN 47 HB1 ASN 47 0.671 -0.992 5.533 358 HD21 ASN 47 HD21 ASN 47 2.586 -0.838 7.380 359 HD22 ASN 47 HD22 ASN 47 3.995 -1.685 6.960 360 H ILE 48 HN ILE 48 -1.587 -3.386 5.927 361 HA ILE 48 HA ILE 48 -3.800 -1.632 6.726 362 HB ILE 48 HB ILE 48 -4.676 -1.952 4.372 363 HG12 ILE 48 HG12 ILE 48 -1.813 -2.674 3.781 364 HG13 ILE 48 HG11 ILE 48 -3.051 -3.897 3.982 365 HG21 ILE 48 HG21 ILE 48 -3.423 -0.107 3.515 366 HG22 ILE 48 HG22 ILE 48 -2.008 -0.535 4.476 367 HG23 ILE 48 HG23 ILE 48 -3.450 0.103 5.266 368 HD11 ILE 48 HD11 ILE 48 -2.884 -3.424 1.619 369 HD12 ILE 48 HD12 ILE 48 -2.969 -1.688 1.912 370 HD13 ILE 48 HD13 ILE 48 -4.387 -2.699 2.189 371 H SER 49 HN SER 49 -5.866 -2.645 6.466 372 HA SER 49 HA SER 49 -5.707 -5.543 7.013 373 HB2 SER 49 HB2 SER 49 -7.798 -3.517 7.834 374 HB3 SER 49 HB1 SER 49 -7.879 -5.241 8.179 375 HG SER 49 HG SER 49 -6.873 -3.655 9.773 376 H GLN 50 HN GLN 50 -7.350 -6.879 6.240 377 HA GLN 50 HA GLN 50 -7.882 -6.976 3.578 378 HB2 GLN 50 HB2 GLN 50 -8.335 -8.638 5.507 379 HB3 GLN 50 HB1 GLN 50 -9.943 -7.921 5.478 380 HG2 GLN 50 HG2 GLN 50 -10.042 -9.798 4.019 381 HG3 GLN 50 HG1 GLN 50 -9.984 -8.378 2.990 382 HE21 GLN 50 HE21 GLN 50 -9.091 -10.001 1.338 383 HE22 GLN 50 HE22 GLN 50 -7.426 -10.325 1.375 384 H LYS 51 HN LYS 51 -9.277 -4.648 5.468 385 HA LYS 51 HA LYS 51 -11.776 -4.412 3.956 386 HB2 LYS 51 HB2 LYS 51 -12.233 -2.414 5.376 387 HB3 LYS 51 HB1 LYS 51 -11.992 -3.884 6.307 388 HG2 LYS 51 HG2 LYS 51 -9.602 -3.189 6.669 389 HG3 LYS 51 HG1 LYS 51 -10.007 -1.651 5.912 390 HD2 LYS 51 HD2 LYS 51 -11.482 -2.760 8.307 391 HD3 LYS 51 HD1 LYS 51 -10.139 -1.623 8.429 392 HE2 LYS 51 HE2 LYS 51 -11.393 -0.022 7.001 393 HE3 LYS 51 HE1 LYS 51 -12.750 -1.148 6.961 394 HZ1 LYS 51 HZ1 LYS 51 -11.613 -0.217 9.521 395 HZ2 LYS 51 HZ2 LYS 51 -13.149 -0.876 9.215 396 HZ3 LYS 51 HZ3 LYS 51 -12.778 0.700 8.699 397 H GLN 52 HN GLN 52 -8.797 -2.816 4.663 398 HA GLN 52 HA GLN 52 -8.839 -0.843 2.608 399 HB2 GLN 52 HB2 GLN 52 -6.751 -2.032 4.430 400 HB3 GLN 52 HB1 GLN 52 -6.370 -0.819 3.244 401 HG2 GLN 52 HG2 GLN 52 -7.798 0.800 4.306 402 HG3 GLN 52 HG1 GLN 52 -8.477 -0.435 5.370 403 HE21 GLN 52 HE21 GLN 52 -6.505 2.124 5.648 404 HE22 GLN 52 HE22 GLN 52 -5.379 1.534 6.768 405 H ALA 53 HN ALA 53 -7.709 -4.122 3.055 406 HA ALA 53 HA ALA 53 -6.044 -4.156 0.708 407 HB1 ALA 53 HB1 ALA 53 -6.285 -5.784 2.895 408 HB2 ALA 53 HB2 ALA 53 -5.334 -6.141 1.457 409 HB3 ALA 53 HB3 ALA 53 -6.970 -6.780 1.613 410 H ASP 54 HN ASP 54 -9.224 -5.638 1.405 411 HA ASP 54 HA ASP 54 -9.517 -6.486 -1.342 412 HB2 ASP 54 HB2 ASP 54 -11.373 -6.432 0.988 413 HB3 ASP 54 HB1 ASP 54 -11.867 -7.036 -0.591 414 H SER 55 HN SER 55 -10.191 -3.598 0.214 415 HA SER 55 HA SER 55 -12.356 -2.913 -1.580 416 HB2 SER 55 HB2 SER 55 -10.873 -1.304 0.473 417 HB3 SER 55 HB1 SER 55 -12.165 -0.669 -0.540 418 HG SER 55 HG SER 55 -13.587 -2.023 0.409 419 H TYR 56 HN TYR 56 -8.843 -2.237 -1.243 420 HA TYR 56 HA TYR 56 -8.819 -0.389 -3.458 421 HB2 TYR 56 HB2 TYR 56 -7.030 -0.713 -1.618 422 HB3 TYR 56 HB1 TYR 56 -6.504 -2.065 -2.609 423 HD1 TYR 56 HD1 TYR 56 -6.609 1.554 -2.301 424 HD2 TYR 56 HD2 TYR 56 -5.825 -1.697 -4.993 425 HE1 TYR 56 HE1 TYR 56 -5.453 3.109 -3.855 426 HE2 TYR 56 HE2 TYR 56 -4.680 -0.128 -6.526 427 HH TYR 56 HH TYR 56 -4.879 3.250 -6.218 428 H LYS 57 HN LYS 57 -8.447 -3.745 -2.855 429 HA LYS 57 HA LYS 57 -7.432 -4.659 -5.280 430 HB2 LYS 57 HB2 LYS 57 -7.729 -6.084 -3.286 431 HB3 LYS 57 HB1 LYS 57 -9.467 -6.027 -3.540 432 HG2 LYS 57 HG2 LYS 57 -9.212 -7.089 -5.734 433 HG3 LYS 57 HG1 LYS 57 -7.456 -7.107 -5.532 434 HD2 LYS 57 HD2 LYS 57 -7.708 -8.546 -3.535 435 HD3 LYS 57 HD1 LYS 57 -9.457 -8.545 -3.763 436 HE2 LYS 57 HE2 LYS 57 -7.449 -9.554 -5.798 437 HE3 LYS 57 HE1 LYS 57 -8.392 -10.580 -4.718 438 HZ1 LYS 57 HZ1 LYS 57 -9.397 -8.803 -6.865 439 HZ2 LYS 57 HZ2 LYS 57 -10.410 -9.492 -5.687 440 HZ3 LYS 57 HZ3 LYS 57 -9.545 -10.488 -6.758 441 H ALA 58 HN ALA 58 -10.965 -3.990 -4.436 442 HA ALA 58 HA ALA 58 -11.644 -4.942 -7.009 443 HB1 ALA 58 HB1 ALA 58 -12.891 -3.988 -4.507 444 HB2 ALA 58 HB2 ALA 58 -13.407 -5.257 -5.620 445 HB3 ALA 58 HB3 ALA 58 -13.773 -3.570 -5.984 446 H TYR 59 HN TYR 59 -10.051 -2.137 -5.938 447 HA TYR 59 HA TYR 59 -11.470 -0.245 -7.584 448 HB2 TYR 59 HB2 TYR 59 -10.090 0.443 -5.598 449 HB3 TYR 59 HB1 TYR 59 -8.654 -0.058 -6.490 450 HD1 TYR 59 HD1 TYR 59 -11.551 2.268 -6.549 451 HD2 TYR 59 HD2 TYR 59 -7.716 1.284 -8.215 452 HE1 TYR 59 HE1 TYR 59 -11.511 4.443 -7.740 453 HE2 TYR 59 HE2 TYR 59 -7.676 3.459 -9.406 454 HH TYR 59 HH TYR 59 -8.886 5.846 -8.913 455 H TYR 60 HN TYR 60 -8.553 -2.325 -7.812 456 HA TYR 60 HA TYR 60 -7.816 -1.354 -10.428 457 HB2 TYR 60 HB2 TYR 60 -5.998 -2.692 -10.217 458 HB3 TYR 60 HB1 TYR 60 -6.526 -2.824 -8.546 459 HD1 TYR 60 HD1 TYR 60 -6.672 -4.520 -11.867 460 HD2 TYR 60 HD2 TYR 60 -7.253 -4.885 -7.635 461 HE1 TYR 60 HE1 TYR 60 -6.867 -6.977 -12.111 462 HE2 TYR 60 HE2 TYR 60 -7.470 -7.341 -7.877 463 HH TYR 60 HH TYR 60 -6.510 -9.009 -10.585 464 H GLY 61 HN GLY 61 -9.735 -3.897 -9.089 465 HA2 GLY 61 HA2 GLY 61 -10.249 -5.540 -11.251 466 HA3 GLY 61 HA1 GLY 61 -11.346 -5.252 -9.902 467 H LYS 62 HN LYS 62 -11.728 -2.459 -10.366 468 HA LYS 62 HA LYS 62 -13.969 -2.509 -12.010 469 HB2 LYS 62 HB2 LYS 62 -13.586 -0.797 -10.301 470 HB3 LYS 62 HB1 LYS 62 -12.265 -0.128 -11.258 471 HG2 LYS 62 HG2 LYS 62 -13.828 0.366 -13.096 472 HG3 LYS 62 HG1 LYS 62 -15.154 -0.328 -12.161 473 HD2 LYS 62 HD2 LYS 62 -14.810 1.368 -10.405 474 HD3 LYS 62 HD1 LYS 62 -13.481 2.062 -11.334 475 HE2 LYS 62 HE2 LYS 62 -15.024 2.557 -13.190 476 HE3 LYS 62 HE1 LYS 62 -16.357 1.857 -12.272 477 HZ1 LYS 62 HZ1 LYS 62 -14.745 4.233 -11.522 478 HZ2 LYS 62 HZ2 LYS 62 -15.917 3.515 -10.525 479 HZ3 LYS 62 HZ3 LYS 62 -16.372 4.222 -12.002 480 H HIS 63 HN HIS 63 -10.664 -1.351 -12.850 481 HA HIS 63 HA HIS 63 -11.619 -0.989 -15.609 482 HB2 HIS 63 HB2 HIS 63 -8.932 -0.266 -14.407 483 HB3 HIS 63 HB1 HIS 63 -9.513 0.165 -16.019 484 HD1 HIS 63 HD1 HIS 63 -11.884 1.585 -15.976 485 HD2 HIS 63 HD2 HIS 63 -9.582 1.630 -12.500 486 HE1 HIS 63 HE1 HIS 63 -12.690 3.559 -14.608 487 HE2 HIS 63 HE2 HIS 63 -11.296 3.599 -12.485 488 H SER 64 HN SER 64 -8.481 -2.116 -14.369 489 HA SER 64 HA SER 64 -8.506 -4.770 -15.090 490 HB2 SER 64 HB2 SER 64 -8.227 -2.964 -17.432 491 HB3 SER 64 HB1 SER 64 -7.100 -4.311 -17.361 492 HG SER 64 HG SER 64 -8.855 -5.154 -18.320 493 H GLY 65 HN GLY 65 -7.286 -3.011 -13.220 494 HA2 GLY 65 HA2 GLY 65 -5.253 -2.922 -12.105 495 HA3 GLY 65 HA1 GLY 65 -4.569 -3.952 -13.363 496 H GLU 66 HN GLU 66 -6.273 -1.100 -14.313 497 HA GLU 66 HA GLU 66 -3.874 -0.027 -15.523 498 HB2 GLU 66 HB2 GLU 66 -6.738 0.954 -15.500 499 HB3 GLU 66 HB1 GLU 66 -5.437 1.647 -16.469 500 HG2 GLU 66 HG2 GLU 66 -5.109 -0.538 -17.581 501 HG3 GLU 66 HG1 GLU 66 -6.428 -1.212 -16.620 502 H THR 67 HN THR 67 -5.502 0.421 -12.527 503 HA THR 67 HA THR 67 -4.248 3.089 -12.239 504 HB THR 67 HB THR 67 -5.896 3.502 -10.458 505 HG1 THR 67 HG1 THR 67 -6.270 1.404 -9.788 506 HG21 THR 67 HG21 THR 67 -7.861 3.674 -11.916 507 HG22 THR 67 HG22 THR 67 -7.139 2.529 -13.045 508 HG23 THR 67 HG23 THR 67 -6.403 4.113 -12.805 509 H GLN 68 HN GLN 68 -4.781 -0.000 -10.590 510 HA GLN 68 HA GLN 68 -3.854 0.274 -8.161 511 HB2 GLN 68 HB2 GLN 68 -3.744 -1.889 -10.008 512 HB3 GLN 68 HB1 GLN 68 -2.328 -1.920 -8.994 513 HG2 GLN 68 HG2 GLN 68 -5.044 -1.482 -7.815 514 HG3 GLN 68 HG1 GLN 68 -4.460 -3.110 -8.133 515 HE21 GLN 68 HE21 GLN 68 -4.162 -3.723 -5.903 516 HE22 GLN 68 HE22 GLN 68 -3.018 -2.973 -4.900 517 H THR 69 HN THR 69 -2.599 1.814 -7.699 518 HA THR 69 HA THR 69 -0.131 2.578 -8.730 519 HB THR 69 HB THR 69 -1.052 2.741 -5.848 520 HG1 THR 69 HG1 THR 69 -1.870 4.704 -6.458 521 HG21 THR 69 HG21 THR 69 0.525 4.674 -5.775 522 HG22 THR 69 HG22 THR 69 1.079 4.241 -7.391 523 HG23 THR 69 HG23 THR 69 1.343 3.135 -6.043 524 H VAL 70 HN VAL 70 -1.016 -0.186 -6.839 525 HA VAL 70 HA VAL 70 1.840 -0.910 -6.693 526 HB VAL 70 HB VAL 70 1.155 -0.245 -4.461 527 HG11 VAL 70 HG11 VAL 70 -0.625 -1.686 -3.314 528 HG12 VAL 70 HG12 VAL 70 -1.134 -2.149 -4.944 529 HG13 VAL 70 HG13 VAL 70 -1.212 -0.454 -4.440 530 HG21 VAL 70 HG21 VAL 70 1.715 -2.266 -3.304 531 HG22 VAL 70 HG22 VAL 70 2.608 -2.250 -4.825 532 HG23 VAL 70 HG23 VAL 70 1.159 -3.241 -4.657 533 H ALA 71 HN ALA 71 2.227 -3.206 -7.032 534 HA ALA 71 HA ALA 71 0.675 -4.342 -9.006 535 HB1 ALA 71 HB1 ALA 71 3.026 -4.983 -8.138 536 HB2 ALA 71 HB2 ALA 71 2.003 -6.253 -8.811 537 HB3 ALA 71 HB3 ALA 71 2.160 -6.081 -7.063 538 H ASN 72 HN ASN 72 -1.563 -4.218 -8.492 539 HA ASN 72 HA ASN 72 -3.524 -4.793 -7.384 540 HB2 ASN 72 HB2 ASN 72 -2.344 -7.477 -8.092 541 HB3 ASN 72 HB1 ASN 72 -4.052 -7.146 -7.793 542 HD21 ASN 72 HD21 ASN 72 -4.594 -4.861 -9.121 543 HD22 ASN 72 HD22 ASN 72 -4.249 -4.997 -10.785 Start of MODEL 2 1 H1 ASN 1 HT1 ASN 1 -40.915 2.142 3.991 2 H2 ASN 1 HT2 ASN 1 -42.496 2.355 3.407 3 H3 ASN 1 HT3 ASN 1 -41.452 3.689 3.547 4 HA ASN 1 HA ASN 1 -41.210 1.414 1.659 5 HB2 ASN 1 HB2 ASN 1 -41.766 4.375 1.362 6 HB3 ASN 1 HB1 ASN 1 -41.301 3.347 0.007 7 HD21 ASN 1 HD21 ASN 1 -43.873 4.658 0.159 8 HD22 ASN 1 HD22 ASN 1 -45.064 3.441 0.296 9 H LEU 2 HN LEU 2 -39.657 4.015 3.387 10 HA LEU 2 HA LEU 2 -37.362 4.344 1.794 11 HB2 LEU 2 HB2 LEU 2 -37.950 5.901 3.594 12 HB3 LEU 2 HB1 LEU 2 -37.678 4.637 4.792 13 HG LEU 2 HG LEU 2 -35.310 4.483 4.078 14 HD11 LEU 2 HD11 LEU 2 -34.470 6.391 2.614 15 HD12 LEU 2 HD12 LEU 2 -36.157 6.706 2.206 16 HD13 LEU 2 HD13 LEU 2 -35.421 5.161 1.782 17 HD21 LEU 2 HD21 LEU 2 -36.106 7.345 4.685 18 HD22 LEU 2 HD22 LEU 2 -34.580 6.559 5.091 19 HD23 LEU 2 HD23 LEU 2 -36.070 6.061 5.893 20 H THR 3 HN THR 3 -38.021 2.160 4.519 21 HA THR 3 HA THR 3 -36.877 0.337 5.329 22 HB THR 3 HB THR 3 -36.315 -1.311 3.701 23 HG1 THR 3 HG1 THR 3 -35.952 -0.738 1.549 24 HG21 THR 3 HG21 THR 3 -38.713 -0.704 3.830 25 HG22 THR 3 HG22 THR 3 -38.264 -1.254 2.216 26 HG23 THR 3 HG23 THR 3 -38.475 0.467 2.534 27 H LYS 4 HN LYS 4 -35.409 2.740 5.501 28 HA LYS 4 HA LYS 4 -32.788 2.588 4.487 29 HB2 LYS 4 HB2 LYS 4 -32.213 4.231 6.171 30 HB3 LYS 4 HB1 LYS 4 -33.804 4.619 5.521 31 HG2 LYS 4 HG2 LYS 4 -34.858 3.473 7.449 32 HG3 LYS 4 HG1 LYS 4 -33.259 3.137 8.113 33 HD2 LYS 4 HD2 LYS 4 -32.803 5.587 8.162 34 HD3 LYS 4 HD1 LYS 4 -34.451 5.877 7.605 35 HE2 LYS 4 HE2 LYS 4 -33.709 4.404 10.150 36 HE3 LYS 4 HE1 LYS 4 -34.266 6.075 10.072 37 HZ1 LYS 4 HZ1 LYS 4 -36.083 4.572 10.577 38 HZ2 LYS 4 HZ2 LYS 4 -35.786 3.696 9.151 39 HZ3 LYS 4 HZ3 LYS 4 -36.323 5.306 9.066 40 H GLN 5 HN GLN 5 -34.335 0.882 7.068 41 HA GLN 5 HA GLN 5 -31.982 0.192 8.523 42 HB2 GLN 5 HB2 GLN 5 -33.375 -1.547 9.582 43 HB3 GLN 5 HB1 GLN 5 -34.139 0.029 9.614 44 HG2 GLN 5 HG2 GLN 5 -34.755 -1.646 7.248 45 HG3 GLN 5 HG1 GLN 5 -35.403 -2.218 8.782 46 HE21 GLN 5 HE21 GLN 5 -37.614 -1.653 8.321 47 HE22 GLN 5 HE22 GLN 5 -38.124 -0.040 8.171 48 H LYS 6 HN LYS 6 -31.715 -2.296 8.903 49 HA LYS 6 HA LYS 6 -30.782 -4.203 8.141 50 HB2 LYS 6 HB2 LYS 6 -32.700 -3.736 5.852 51 HB3 LYS 6 HB1 LYS 6 -31.796 -5.228 6.108 52 HG2 LYS 6 HG2 LYS 6 -32.841 -5.482 8.332 53 HG3 LYS 6 HG1 LYS 6 -33.754 -3.997 8.069 54 HD2 LYS 6 HD2 LYS 6 -34.861 -5.003 6.117 55 HD3 LYS 6 HD1 LYS 6 -33.929 -6.484 6.341 56 HE2 LYS 6 HE2 LYS 6 -36.158 -6.749 7.326 57 HE3 LYS 6 HE1 LYS 6 -34.937 -6.751 8.598 58 HZ1 LYS 6 HZ1 LYS 6 -36.539 -4.393 7.765 59 HZ2 LYS 6 HZ2 LYS 6 -35.397 -4.433 9.022 60 HZ3 LYS 6 HZ3 LYS 6 -36.832 -5.336 9.145 61 H ASP 7 HN ASP 7 -29.358 -1.846 7.664 62 HA ASP 7 HA ASP 7 -27.600 -1.002 6.448 63 HB2 ASP 7 HB2 ASP 7 -26.859 -3.362 6.939 64 HB3 ASP 7 HB1 ASP 7 -27.419 -3.799 5.324 65 H ALA 8 HN ALA 8 -29.997 -0.383 5.288 66 HA ALA 8 HA ALA 8 -30.326 -1.163 2.601 67 HB1 ALA 8 HB1 ALA 8 -31.024 1.614 3.452 68 HB2 ALA 8 HB2 ALA 8 -31.837 0.265 4.241 69 HB3 ALA 8 HB3 ALA 8 -31.957 0.464 2.494 70 H VAL 9 HN VAL 9 -28.438 1.449 4.075 71 HA VAL 9 HA VAL 9 -26.969 1.717 1.536 72 HB VAL 9 HB VAL 9 -28.631 3.534 1.596 73 HG11 VAL 9 HG11 VAL 9 -28.622 5.177 3.373 74 HG12 VAL 9 HG12 VAL 9 -27.229 4.409 4.137 75 HG13 VAL 9 HG13 VAL 9 -28.788 3.584 4.110 76 HG21 VAL 9 HG21 VAL 9 -27.041 5.403 1.346 77 HG22 VAL 9 HG22 VAL 9 -26.394 3.936 0.607 78 HG23 VAL 9 HG23 VAL 9 -25.801 4.467 2.181 79 H SER 10 HN SER 10 -24.806 2.072 1.762 80 HA SER 10 HA SER 10 -23.774 2.444 4.508 81 HB2 SER 10 HB2 SER 10 -22.701 0.575 2.386 82 HB3 SER 10 HB1 SER 10 -21.925 0.903 3.932 83 HG SER 10 HG SER 10 -23.567 -0.086 4.973 84 H ASP 11 HN ASP 11 -21.809 3.567 4.697 85 HA ASP 11 HA ASP 11 -21.320 5.476 2.559 86 HB2 ASP 11 HB2 ASP 11 -21.385 6.205 4.926 87 HB3 ASP 11 HB1 ASP 11 -19.997 5.177 5.268 88 H THR 12 HN THR 12 -20.095 4.788 0.907 89 HA THR 12 HA THR 12 -18.139 2.709 1.190 90 HB THR 12 HB THR 12 -17.691 3.101 -1.179 91 HG1 THR 12 HG1 THR 12 -19.399 5.338 -0.829 92 HG21 THR 12 HG21 THR 12 -19.996 2.777 -2.033 93 HG22 THR 12 HG22 THR 12 -20.632 3.297 -0.472 94 HG23 THR 12 HG23 THR 12 -19.691 1.810 -0.590 95 H GLY 13 HN GLY 13 -15.893 2.943 0.523 96 HA2 GLY 13 HA2 GLY 13 -14.707 5.551 1.286 97 HA3 GLY 13 HA1 GLY 13 -14.051 4.030 1.833 98 H THR 14 HN THR 14 -15.161 5.289 -1.322 99 HA THR 14 HA THR 14 -13.106 3.898 -2.716 100 HB THR 14 HB THR 14 -13.707 5.359 -4.618 101 HG1 THR 14 HG1 THR 14 -15.232 6.681 -2.627 102 HG21 THR 14 HG21 THR 14 -15.988 4.259 -2.965 103 HG22 THR 14 HG22 THR 14 -15.147 3.472 -4.299 104 HG23 THR 14 HG23 THR 14 -16.199 4.852 -4.612 105 H ALA 15 HN ALA 15 -13.464 7.087 -1.284 106 HA ALA 15 HA ALA 15 -10.975 8.109 -2.230 107 HB1 ALA 15 HB1 ALA 15 -11.280 9.767 -0.328 108 HB2 ALA 15 HB2 ALA 15 -12.789 8.929 0.033 109 HB3 ALA 15 HB3 ALA 15 -12.574 9.729 -1.525 110 H ALA 16 HN ALA 16 -12.051 6.506 0.675 111 HA ALA 16 HA ALA 16 -9.638 6.663 2.095 112 HB1 ALA 16 HB1 ALA 16 -11.759 6.067 3.194 113 HB2 ALA 16 HB2 ALA 16 -10.541 4.821 3.469 114 HB3 ALA 16 HB3 ALA 16 -11.811 4.565 2.272 115 H VAL 17 HN VAL 17 -10.896 4.442 -0.222 116 HA VAL 17 HA VAL 17 -9.026 2.356 0.013 117 HB VAL 17 HB VAL 17 -10.347 3.515 -2.454 118 HG11 VAL 17 HG11 VAL 17 -9.737 1.337 -3.525 119 HG12 VAL 17 HG12 VAL 17 -8.684 1.016 -2.149 120 HG13 VAL 17 HG13 VAL 17 -8.365 2.387 -3.209 121 HG21 VAL 17 HG21 VAL 17 -11.139 0.806 -1.624 122 HG22 VAL 17 HG22 VAL 17 -12.138 2.210 -1.977 123 HG23 VAL 17 HG23 VAL 17 -11.457 2.006 -0.369 124 H VAL 18 HN VAL 18 -8.932 5.279 -1.870 125 HA VAL 18 HA VAL 18 -6.452 4.812 -3.144 126 HB VAL 18 HB VAL 18 -7.961 7.356 -2.561 127 HG11 VAL 18 HG11 VAL 18 -5.604 7.937 -2.848 128 HG12 VAL 18 HG12 VAL 18 -6.492 8.369 -4.308 129 HG13 VAL 18 HG13 VAL 18 -5.503 6.911 -4.279 130 HG21 VAL 18 HG21 VAL 18 -8.909 5.549 -4.100 131 HG22 VAL 18 HG22 VAL 18 -7.533 5.855 -5.160 132 HG23 VAL 18 HG23 VAL 18 -8.700 7.139 -4.837 133 H LYS 19 HN LYS 19 -7.186 6.770 -0.280 134 HA LYS 19 HA LYS 19 -4.573 7.637 0.179 135 HB2 LYS 19 HB2 LYS 19 -6.521 8.756 1.089 136 HB3 LYS 19 HB1 LYS 19 -6.863 7.368 2.122 137 HG2 LYS 19 HG2 LYS 19 -4.718 7.682 3.287 138 HG3 LYS 19 HG1 LYS 19 -4.332 9.040 2.229 139 HD2 LYS 19 HD2 LYS 19 -6.331 10.239 3.054 140 HD3 LYS 19 HD1 LYS 19 -6.692 8.886 4.127 141 HE2 LYS 19 HE2 LYS 19 -4.132 10.510 4.192 142 HE3 LYS 19 HE1 LYS 19 -5.485 10.715 5.304 143 HZ1 LYS 19 HZ1 LYS 19 -4.208 9.269 6.483 144 HZ2 LYS 19 HZ2 LYS 19 -3.555 8.524 5.103 145 HZ3 LYS 19 HZ3 LYS 19 -5.134 8.151 5.606 146 H VAL 20 HN VAL 20 -6.143 4.719 1.710 147 HA VAL 20 HA VAL 20 -3.857 4.498 3.429 148 HB VAL 20 HB VAL 20 -4.907 2.396 4.190 149 HG11 VAL 20 HG11 VAL 20 -5.535 4.546 5.184 150 HG12 VAL 20 HG12 VAL 20 -6.944 3.488 5.089 151 HG13 VAL 20 HG13 VAL 20 -6.742 4.795 3.922 152 HG21 VAL 20 HG21 VAL 20 -5.952 1.524 2.230 153 HG22 VAL 20 HG22 VAL 20 -6.799 3.025 1.915 154 HG23 VAL 20 HG23 VAL 20 -7.280 2.018 3.272 155 H VAL 21 HN VAL 21 -4.997 2.389 0.748 156 HA VAL 21 HA VAL 21 -2.714 0.750 0.965 157 HB VAL 21 HB VAL 21 -4.514 1.169 -1.391 158 HG11 VAL 21 HG11 VAL 21 -3.345 -0.979 -2.185 159 HG12 VAL 21 HG12 VAL 21 -2.077 -0.603 -1.015 160 HG13 VAL 21 HG13 VAL 21 -2.414 0.508 -2.344 161 HG21 VAL 21 HG21 VAL 21 -5.166 -1.174 -0.716 162 HG22 VAL 21 HG22 VAL 21 -5.516 0.026 0.522 163 HG23 VAL 21 HG23 VAL 21 -4.103 -1.016 0.670 164 H GLU 22 HN GLU 22 -3.197 3.644 -1.069 165 HA GLU 22 HA GLU 22 -0.699 3.394 -2.368 166 HB2 GLU 22 HB2 GLU 22 -2.448 5.786 -1.840 167 HB3 GLU 22 HB1 GLU 22 -0.977 5.867 -2.790 168 HG2 GLU 22 HG2 GLU 22 -1.827 4.220 -4.362 169 HG3 GLU 22 HG1 GLU 22 -3.271 3.971 -3.375 170 H SER 23 HN SER 23 -1.518 4.568 0.858 171 HA SER 23 HA SER 23 0.954 6.058 1.143 172 HB2 SER 23 HB2 SER 23 0.313 6.223 3.515 173 HB3 SER 23 HB1 SER 23 -1.016 6.683 2.456 174 HG SER 23 HG SER 23 -1.995 4.760 2.852 175 H GLN 24 HN GLN 24 -0.265 2.957 2.467 176 HA GLN 24 HA GLN 24 2.271 2.283 3.595 177 HB2 GLN 24 HB2 GLN 24 -0.251 0.705 3.166 178 HB3 GLN 24 HB1 GLN 24 1.225 -0.053 3.761 179 HG2 GLN 24 HG2 GLN 24 0.033 0.581 5.716 180 HG3 GLN 24 HG1 GLN 24 1.299 1.795 5.529 181 HE21 GLN 24 HE21 GLN 24 0.463 3.814 6.033 182 HE22 GLN 24 HE22 GLN 24 -1.086 4.361 5.604 183 H ALA 25 HN ALA 25 0.671 1.472 0.573 184 HA ALA 25 HA ALA 25 2.376 -0.547 -0.315 185 HB1 ALA 25 HB1 ALA 25 0.292 -0.041 -1.484 186 HB2 ALA 25 HB2 ALA 25 1.654 0.034 -2.604 187 HB3 ALA 25 HB3 ALA 25 0.937 1.522 -1.984 188 H GLU 26 HN GLU 26 2.585 2.948 -0.636 189 HA GLU 26 HA GLU 26 4.889 3.018 -2.268 190 HB2 GLU 26 HB2 GLU 26 3.492 5.016 -1.848 191 HB3 GLU 26 HB1 GLU 26 4.010 5.014 -0.161 192 HG2 GLU 26 HG2 GLU 26 6.340 5.320 -0.846 193 HG3 GLU 26 HG1 GLU 26 5.868 5.255 -2.543 194 H LEU 27 HN LEU 27 4.419 3.091 1.259 195 HA LEU 27 HA LEU 27 7.154 3.202 1.904 196 HB2 LEU 27 HB2 LEU 27 5.393 3.762 3.513 197 HB3 LEU 27 HB1 LEU 27 4.872 2.077 3.538 198 HG LEU 27 HG LEU 27 7.162 1.423 4.302 199 HD11 LEU 27 HD11 LEU 27 8.554 3.350 5.245 200 HD12 LEU 27 HD12 LEU 27 7.544 4.420 4.270 201 HD13 LEU 27 HD13 LEU 27 8.532 3.185 3.489 202 HD21 LEU 27 HD21 LEU 27 5.822 3.520 6.046 203 HD22 LEU 27 HD22 LEU 27 6.884 2.227 6.604 204 HD23 LEU 27 HD23 LEU 27 5.307 1.839 5.920 205 H TYR 28 HN TYR 28 5.051 0.430 1.338 206 HA TYR 28 HA TYR 28 6.889 -1.512 2.325 207 HB2 TYR 28 HB2 TYR 28 4.483 -2.051 2.081 208 HB3 TYR 28 HB1 TYR 28 4.631 -1.955 0.330 209 HD1 TYR 28 HD1 TYR 28 5.567 -3.833 3.354 210 HD2 TYR 28 HD2 TYR 28 5.887 -3.644 -0.923 211 HE1 TYR 28 HE1 TYR 28 6.435 -6.156 3.317 212 HE2 TYR 28 HE2 TYR 28 6.747 -5.968 -0.963 213 HH TYR 28 HH TYR 28 6.459 -8.064 0.750 214 H GLU 29 HN GLU 29 6.154 0.013 -0.708 215 HA GLU 29 HA GLU 29 8.010 -1.397 -2.303 216 HB2 GLU 29 HB2 GLU 29 6.785 1.346 -2.561 217 HB3 GLU 29 HB1 GLU 29 7.864 0.646 -3.778 218 HG2 GLU 29 HG2 GLU 29 6.434 -1.190 -4.149 219 HG3 GLU 29 HG1 GLU 29 5.526 -0.850 -2.683 220 H LEU 30 HN LEU 30 8.301 1.453 -0.141 221 HA LEU 30 HA LEU 30 10.935 2.066 -0.998 222 HB2 LEU 30 HB2 LEU 30 9.632 3.609 0.425 223 HB3 LEU 30 HB1 LEU 30 9.637 2.417 1.729 224 HG LEU 30 HG LEU 30 12.112 2.520 1.797 225 HD11 LEU 30 HD11 LEU 30 12.672 3.120 -0.452 226 HD12 LEU 30 HD12 LEU 30 13.168 4.482 0.554 227 HD13 LEU 30 HD13 LEU 30 11.675 4.575 -0.383 228 HD21 LEU 30 HD21 LEU 30 10.605 4.070 3.147 229 HD22 LEU 30 HD22 LEU 30 10.943 5.311 1.940 230 HD23 LEU 30 HD23 LEU 30 12.256 4.639 2.910 231 H LYS 31 HN LYS 31 9.549 -0.003 1.530 232 HA LYS 31 HA LYS 31 11.911 -1.025 2.631 233 HB2 LYS 31 HB2 LYS 31 9.700 -1.538 3.584 234 HB3 LYS 31 HB1 LYS 31 9.325 -2.537 2.187 235 HG2 LYS 31 HG2 LYS 31 11.225 -4.007 2.690 236 HG3 LYS 31 HG1 LYS 31 11.638 -3.003 4.081 237 HD2 LYS 31 HD2 LYS 31 9.475 -3.511 5.121 238 HD3 LYS 31 HD1 LYS 31 9.010 -4.473 3.716 239 HE2 LYS 31 HE2 LYS 31 9.829 -5.946 5.497 240 HE3 LYS 31 HE1 LYS 31 10.943 -5.977 4.131 241 HZ1 LYS 31 HZ1 LYS 31 11.822 -5.640 6.545 242 HZ2 LYS 31 HZ2 LYS 31 11.381 -4.021 6.274 243 HZ3 LYS 31 HZ3 LYS 31 12.511 -4.780 5.255 244 H ASN 32 HN ASN 32 10.007 -2.171 -0.119 245 HA ASN 32 HA ASN 32 12.443 -3.525 -1.163 246 HB2 ASN 32 HB2 ASN 32 9.608 -4.572 -1.095 247 HB3 ASN 32 HB1 ASN 32 10.862 -5.253 -2.129 248 HD21 ASN 32 HD21 ASN 32 9.605 -6.747 0.013 249 HD22 ASN 32 HD22 ASN 32 10.798 -7.077 1.175 250 H THR 33 HN THR 33 12.810 -1.684 -2.479 251 HA THR 33 HA THR 33 10.853 -0.547 -4.170 252 HB THR 33 HB THR 33 13.871 -0.504 -4.408 253 HG1 THR 33 HG1 THR 33 13.381 0.497 -2.566 254 HG21 THR 33 HG21 THR 33 11.715 1.183 -5.704 255 HG22 THR 33 HG22 THR 33 12.844 0.107 -6.526 256 HG23 THR 33 HG23 THR 33 13.436 1.569 -5.736 257 H ASN 34 HN ASN 34 13.253 -3.088 -4.783 258 HA ASN 34 HA ASN 34 12.980 -3.223 -7.558 259 HB2 ASN 34 HB2 ASN 34 14.697 -4.414 -6.156 260 HB3 ASN 34 HB1 ASN 34 13.448 -5.585 -5.734 261 HD21 ASN 34 HD21 ASN 34 14.350 -7.380 -6.900 262 HD22 ASN 34 HD22 ASN 34 14.478 -7.394 -8.591 263 H GLU 35 HN GLU 35 11.064 -4.786 -5.018 264 HA GLU 35 HA GLU 35 9.264 -5.864 -7.113 265 HB2 GLU 35 HB2 GLU 35 9.414 -6.520 -4.163 266 HB3 GLU 35 HB1 GLU 35 8.361 -7.295 -5.343 267 HG2 GLU 35 HG2 GLU 35 10.318 -8.084 -6.613 268 HG3 GLU 35 HG1 GLU 35 11.390 -7.320 -5.441 269 H LYS 36 HN LYS 36 7.138 -5.131 -7.237 270 HA LYS 36 HA LYS 36 6.536 -2.878 -5.515 271 HB2 LYS 36 HB2 LYS 36 5.031 -4.100 -7.828 272 HB3 LYS 36 HB1 LYS 36 4.462 -2.726 -6.877 273 HG2 LYS 36 HG2 LYS 36 6.500 -1.465 -7.482 274 HG3 LYS 36 HG1 LYS 36 7.071 -2.842 -8.427 275 HD2 LYS 36 HD2 LYS 36 5.081 -2.680 -9.874 276 HD3 LYS 36 HD1 LYS 36 4.509 -1.304 -8.931 277 HE2 LYS 36 HE2 LYS 36 6.534 -0.036 -9.536 278 HE3 LYS 36 HE1 LYS 36 7.120 -1.411 -10.473 279 HZ1 LYS 36 HZ1 LYS 36 5.024 -1.245 -11.785 280 HZ2 LYS 36 HZ2 LYS 36 6.072 0.080 -11.966 281 HZ3 LYS 36 HZ3 LYS 36 4.692 0.214 -10.985 282 H ALA 37 HN ALA 37 5.357 -2.950 -3.854 283 HA ALA 37 HA ALA 37 4.554 -5.156 -2.487 284 HB1 ALA 37 HB1 ALA 37 3.540 -3.725 -0.988 285 HB2 ALA 37 HB2 ALA 37 2.769 -2.767 -2.259 286 HB3 ALA 37 HB3 ALA 37 4.488 -2.551 -1.900 287 H SER 38 HN SER 38 2.085 -5.398 -1.776 288 HA SER 38 HA SER 38 0.269 -5.243 -4.043 289 HB2 SER 38 HB2 SER 38 -0.208 -7.579 -4.170 290 HB3 SER 38 HB1 SER 38 1.534 -7.401 -4.375 291 HG SER 38 HG SER 38 0.053 -8.414 -2.223 292 H LEU 39 HN LEU 39 -1.886 -6.184 -3.321 293 HA LEU 39 HA LEU 39 -2.617 -4.884 -0.921 294 HB2 LEU 39 HB2 LEU 39 -4.019 -7.062 -2.508 295 HB3 LEU 39 HB1 LEU 39 -4.770 -6.163 -1.185 296 HG LEU 39 HG LEU 39 -3.629 -4.908 -3.697 297 HD11 LEU 39 HD11 LEU 39 -5.489 -5.939 -4.530 298 HD12 LEU 39 HD12 LEU 39 -6.175 -4.408 -4.013 299 HD13 LEU 39 HD13 LEU 39 -6.376 -5.846 -3.017 300 HD21 LEU 39 HD21 LEU 39 -4.298 -3.756 -1.147 301 HD22 LEU 39 HD22 LEU 39 -5.478 -3.206 -2.318 302 HD23 LEU 39 HD23 LEU 39 -3.770 -2.946 -2.615 303 H SER 40 HN SER 40 -1.914 -8.238 -1.713 304 HA SER 40 HA SER 40 -2.445 -9.351 0.819 305 HB2 SER 40 HB2 SER 40 -0.597 -10.250 -1.393 306 HB3 SER 40 HB1 SER 40 -0.977 -11.217 0.030 307 HG SER 40 HG SER 40 -3.000 -11.457 -0.659 308 H LYS 41 HN LYS 41 0.553 -7.957 -0.531 309 HA LYS 41 HA LYS 41 2.224 -8.786 1.567 310 HB2 LYS 41 HB2 LYS 41 2.454 -6.563 -0.414 311 HB3 LYS 41 HB1 LYS 41 3.721 -6.912 0.748 312 HG2 LYS 41 HG2 LYS 41 3.854 -9.230 -0.083 313 HG3 LYS 41 HG1 LYS 41 2.576 -8.894 -1.243 314 HD2 LYS 41 HD2 LYS 41 3.993 -7.170 -2.303 315 HD3 LYS 41 HD1 LYS 41 5.272 -7.515 -1.142 316 HE2 LYS 41 HE2 LYS 41 5.394 -9.839 -1.951 317 HE3 LYS 41 HE1 LYS 41 4.107 -9.505 -3.111 318 HZ1 LYS 41 HZ1 LYS 41 6.695 -8.055 -3.021 319 HZ2 LYS 41 HZ2 LYS 41 5.482 -7.903 -4.200 320 HZ3 LYS 41 HZ3 LYS 41 6.363 -9.349 -4.066 321 H LEU 42 HN LEU 42 0.590 -5.708 1.118 322 HA LEU 42 HA LEU 42 1.587 -4.470 3.405 323 HB2 LEU 42 HB2 LEU 42 -1.087 -4.013 2.057 324 HB3 LEU 42 HB1 LEU 42 -0.448 -3.005 3.358 325 HG LEU 42 HG LEU 42 0.839 -3.449 0.646 326 HD11 LEU 42 HD11 LEU 42 -1.150 -2.059 0.523 327 HD12 LEU 42 HD12 LEU 42 0.265 -1.013 0.412 328 HD13 LEU 42 HD13 LEU 42 -0.625 -1.131 1.934 329 HD21 LEU 42 HD21 LEU 42 2.245 -1.437 1.554 330 HD22 LEU 42 HD22 LEU 42 2.641 -3.054 2.128 331 HD23 LEU 42 HD23 LEU 42 1.695 -1.968 3.141 332 H VAL 43 HN VAL 43 -1.099 -6.614 2.817 333 HA VAL 43 HA VAL 43 -2.121 -6.216 5.430 334 HB VAL 43 HB VAL 43 -3.119 -6.915 3.103 335 HG11 VAL 43 HG11 VAL 43 -3.374 -9.442 4.714 336 HG12 VAL 43 HG12 VAL 43 -2.156 -9.251 3.459 337 HG13 VAL 43 HG13 VAL 43 -3.867 -9.157 3.045 338 HG21 VAL 43 HG21 VAL 43 -4.039 -6.494 5.799 339 HG22 VAL 43 HG22 VAL 43 -4.954 -7.829 5.124 340 HG23 VAL 43 HG23 VAL 43 -4.924 -6.273 4.299 341 H SER 44 HN SER 44 0.088 -8.501 3.908 342 HA SER 44 HA SER 44 -0.196 -10.458 5.876 343 HB2 SER 44 HB2 SER 44 2.194 -9.635 4.207 344 HB3 SER 44 HB1 SER 44 2.138 -11.075 5.202 345 HG SER 44 HG SER 44 0.203 -11.626 3.958 346 H SER 45 HN SER 45 1.864 -7.711 5.351 347 HA SER 45 HA SER 45 3.190 -7.439 7.826 348 HB2 SER 45 HB2 SER 45 3.151 -4.921 7.109 349 HB3 SER 45 HB1 SER 45 4.112 -6.093 6.216 350 HG SER 45 HG SER 45 2.202 -4.545 5.308 351 H GLY 46 HN GLY 46 -0.029 -7.546 7.484 352 HA2 GLY 46 HA2 GLY 46 -1.908 -6.579 8.296 353 HA3 GLY 46 HA1 GLY 46 -1.117 -7.005 9.806 354 H ASN 47 HN ASN 47 0.080 -4.483 7.634 355 HA ASN 47 HA ASN 47 0.059 -2.471 9.659 356 HB2 ASN 47 HB2 ASN 47 1.495 -2.423 7.575 357 HB3 ASN 47 HB1 ASN 47 0.036 -2.085 6.622 358 HD21 ASN 47 HD21 ASN 47 2.343 -0.270 6.944 359 HD22 ASN 47 HD22 ASN 47 1.751 1.130 7.697 360 H ILE 48 HN ILE 48 -1.907 -3.390 7.017 361 HA ILE 48 HA ILE 48 -4.194 -1.805 8.003 362 HB ILE 48 HB ILE 48 -4.893 -1.805 5.543 363 HG12 ILE 48 HG12 ILE 48 -2.914 -1.911 3.961 364 HG13 ILE 48 HG11 ILE 48 -1.985 -2.658 5.247 365 HG21 ILE 48 HG21 ILE 48 -2.436 -0.381 6.551 366 HG22 ILE 48 HG22 ILE 48 -4.104 0.191 6.596 367 HG23 ILE 48 HG23 ILE 48 -3.254 0.061 5.059 368 HD11 ILE 48 HD11 ILE 48 -4.624 -3.796 4.339 369 HD12 ILE 48 HD12 ILE 48 -3.345 -4.590 5.245 370 HD13 ILE 48 HD13 ILE 48 -3.112 -4.220 3.542 371 H SER 49 HN SER 49 -6.384 -2.776 7.282 372 HA SER 49 HA SER 49 -6.333 -5.558 8.001 373 HB2 SER 49 HB2 SER 49 -8.762 -5.331 8.028 374 HB3 SER 49 HB1 SER 49 -8.019 -3.990 8.898 375 HG SER 49 HG SER 49 -8.253 -2.741 7.011 376 H GLN 50 HN GLN 50 -7.699 -7.079 6.705 377 HA GLN 50 HA GLN 50 -6.669 -7.417 4.149 378 HB2 GLN 50 HB2 GLN 50 -7.931 -9.146 5.652 379 HB3 GLN 50 HB1 GLN 50 -9.346 -8.528 4.792 380 HG2 GLN 50 HG2 GLN 50 -6.826 -9.498 3.412 381 HG3 GLN 50 HG1 GLN 50 -8.247 -10.476 3.657 382 HE21 GLN 50 HE21 GLN 50 -6.951 -9.431 1.142 383 HE22 GLN 50 HE22 GLN 50 -8.211 -8.669 0.313 384 H LYS 51 HN LYS 51 -10.030 -6.125 5.079 385 HA LYS 51 HA LYS 51 -10.815 -5.801 2.552 386 HB2 LYS 51 HB2 LYS 51 -12.453 -4.351 3.549 387 HB3 LYS 51 HB1 LYS 51 -12.109 -5.667 4.669 388 HG2 LYS 51 HG2 LYS 51 -10.522 -4.209 5.902 389 HG3 LYS 51 HG1 LYS 51 -10.918 -2.884 4.808 390 HD2 LYS 51 HD2 LYS 51 -13.279 -2.987 5.496 391 HD3 LYS 51 HD1 LYS 51 -12.900 -4.309 6.601 392 HE2 LYS 51 HE2 LYS 51 -11.346 -2.843 7.833 393 HE3 LYS 51 HE1 LYS 51 -11.718 -1.519 6.728 394 HZ1 LYS 51 HZ1 LYS 51 -13.881 -2.900 8.174 395 HZ2 LYS 51 HZ2 LYS 51 -13.854 -1.326 7.533 396 HZ3 LYS 51 HZ3 LYS 51 -12.983 -1.686 8.947 397 H GLN 52 HN GLN 52 -8.508 -3.961 4.419 398 HA GLN 52 HA GLN 52 -8.717 -1.607 2.806 399 HB2 GLN 52 HB2 GLN 52 -7.660 -1.704 5.093 400 HB3 GLN 52 HB1 GLN 52 -6.368 -2.659 4.384 401 HG2 GLN 52 HG2 GLN 52 -7.032 -0.066 3.049 402 HG3 GLN 52 HG1 GLN 52 -6.198 0.006 4.603 403 HE21 GLN 52 HE21 GLN 52 -4.369 0.890 3.140 404 HE22 GLN 52 HE22 GLN 52 -3.342 -0.254 2.430 405 H ALA 53 HN ALA 53 -7.091 -4.712 2.884 406 HA ALA 53 HA ALA 53 -5.403 -4.199 0.559 407 HB1 ALA 53 HB1 ALA 53 -5.673 -6.317 2.350 408 HB2 ALA 53 HB2 ALA 53 -4.680 -6.322 0.897 409 HB3 ALA 53 HB3 ALA 53 -6.313 -6.982 0.847 410 H ASP 54 HN ASP 54 -8.630 -5.773 1.024 411 HA ASP 54 HA ASP 54 -9.055 -5.998 -1.835 412 HB2 ASP 54 HB2 ASP 54 -10.914 -6.000 0.497 413 HB3 ASP 54 HB1 ASP 54 -11.482 -6.211 -1.151 414 H SER 55 HN SER 55 -9.080 -3.292 0.199 415 HA SER 55 HA SER 55 -11.236 -1.839 -0.937 416 HB2 SER 55 HB2 SER 55 -8.741 -0.880 0.471 417 HB3 SER 55 HB1 SER 55 -10.021 0.176 -0.036 418 HG SER 55 HG SER 55 -10.321 -0.463 2.105 419 H TYR 56 HN TYR 56 -7.795 -2.157 -1.696 420 HA TYR 56 HA TYR 56 -8.131 -0.281 -3.898 421 HB2 TYR 56 HB2 TYR 56 -5.932 -0.914 -2.507 422 HB3 TYR 56 HB1 TYR 56 -5.704 -1.936 -3.925 423 HD1 TYR 56 HD1 TYR 56 -5.863 1.467 -2.637 424 HD2 TYR 56 HD2 TYR 56 -5.740 -0.875 -6.225 425 HE1 TYR 56 HE1 TYR 56 -5.288 3.494 -3.933 426 HE2 TYR 56 HE2 TYR 56 -5.170 1.163 -7.524 427 HH TYR 56 HH TYR 56 -5.400 3.584 -7.338 428 H LYS 57 HN LYS 57 -8.209 -3.698 -3.391 429 HA LYS 57 HA LYS 57 -8.141 -4.551 -6.122 430 HB2 LYS 57 HB2 LYS 57 -8.083 -6.149 -4.192 431 HB3 LYS 57 HB1 LYS 57 -9.753 -5.733 -3.829 432 HG2 LYS 57 HG2 LYS 57 -10.446 -6.523 -6.051 433 HG3 LYS 57 HG1 LYS 57 -8.768 -6.918 -6.441 434 HD2 LYS 57 HD2 LYS 57 -8.708 -8.525 -4.571 435 HD3 LYS 57 HD1 LYS 57 -10.382 -8.132 -4.177 436 HE2 LYS 57 HE2 LYS 57 -11.097 -8.913 -6.403 437 HE3 LYS 57 HE1 LYS 57 -9.424 -9.298 -6.808 438 HZ1 LYS 57 HZ1 LYS 57 -11.028 -11.106 -5.844 439 HZ2 LYS 57 HZ2 LYS 57 -10.562 -10.429 -4.358 440 HZ3 LYS 57 HZ3 LYS 57 -9.390 -11.074 -5.404 441 H ALA 58 HN ALA 58 -10.222 -3.029 -4.112 442 HA ALA 58 HA ALA 58 -12.750 -3.246 -5.535 443 HB1 ALA 58 HB1 ALA 58 -12.659 -0.874 -3.866 444 HB2 ALA 58 HB2 ALA 58 -12.019 -2.264 -2.991 445 HB3 ALA 58 HB3 ALA 58 -13.639 -2.330 -3.681 446 H TYR 59 HN TYR 59 -10.045 -0.882 -5.450 447 HA TYR 59 HA TYR 59 -11.308 0.963 -7.255 448 HB2 TYR 59 HB2 TYR 59 -9.481 1.570 -5.630 449 HB3 TYR 59 HB1 TYR 59 -8.368 0.613 -6.608 450 HD1 TYR 59 HD1 TYR 59 -10.748 3.483 -6.760 451 HD2 TYR 59 HD2 TYR 59 -7.382 1.515 -8.556 452 HE1 TYR 59 HE1 TYR 59 -10.437 5.412 -8.288 453 HE2 TYR 59 HE2 TYR 59 -7.070 3.443 -10.085 454 HH TYR 59 HH TYR 59 -7.892 6.200 -9.756 455 H TYR 60 HN TYR 60 -9.117 -1.736 -7.387 456 HA TYR 60 HA TYR 60 -8.341 -1.721 -10.088 457 HB2 TYR 60 HB2 TYR 60 -7.174 -3.174 -8.581 458 HB3 TYR 60 HB1 TYR 60 -8.675 -3.961 -8.075 459 HD1 TYR 60 HD1 TYR 60 -6.565 -3.326 -11.116 460 HD2 TYR 60 HD2 TYR 60 -9.455 -5.854 -9.189 461 HE1 TYR 60 HE1 TYR 60 -6.370 -4.974 -12.964 462 HE2 TYR 60 HE2 TYR 60 -9.255 -7.495 -11.036 463 HH TYR 60 HH TYR 60 -7.526 -6.766 -13.961 464 H GLY 61 HN GLY 61 -11.000 -2.993 -8.256 465 HA2 GLY 61 HA2 GLY 61 -12.321 -4.570 -10.055 466 HA3 GLY 61 HA1 GLY 61 -13.093 -3.606 -8.809 467 H LYS 62 HN LYS 62 -12.518 -1.051 -9.618 468 HA LYS 62 HA LYS 62 -14.557 -0.509 -11.452 469 HB2 LYS 62 HB2 LYS 62 -13.777 1.092 -9.784 470 HB3 LYS 62 HB1 LYS 62 -12.244 1.255 -10.642 471 HG2 LYS 62 HG2 LYS 62 -13.312 2.241 -12.544 472 HG3 LYS 62 HG1 LYS 62 -14.913 1.809 -11.955 473 HD2 LYS 62 HD2 LYS 62 -14.525 4.175 -11.519 474 HD3 LYS 62 HD1 LYS 62 -14.556 3.303 -9.988 475 HE2 LYS 62 HE2 LYS 62 -12.094 3.249 -9.955 476 HE3 LYS 62 HE1 LYS 62 -12.052 4.097 -11.499 477 HZ1 LYS 62 HZ1 LYS 62 -13.549 5.780 -10.206 478 HZ2 LYS 62 HZ2 LYS 62 -11.857 5.838 -10.070 479 HZ3 LYS 62 HZ3 LYS 62 -12.787 5.102 -8.851 480 H HIS 63 HN HIS 63 -11.000 -0.574 -12.111 481 HA HIS 63 HA HIS 63 -11.700 -0.662 -14.993 482 HB2 HIS 63 HB2 HIS 63 -9.334 0.832 -13.843 483 HB3 HIS 63 HB1 HIS 63 -9.723 0.655 -15.551 484 HD1 HIS 63 HD1 HIS 63 -12.313 1.539 -16.132 485 HD2 HIS 63 HD2 HIS 63 -10.399 3.140 -12.795 486 HE1 HIS 63 HE1 HIS 63 -13.491 3.720 -15.611 487 HE2 HIS 63 HE2 HIS 63 -12.335 4.708 -13.576 488 H SER 64 HN SER 64 -9.639 -1.247 -16.319 489 HA SER 64 HA SER 64 -8.967 -3.914 -15.747 490 HB2 SER 64 HB2 SER 64 -7.448 -1.991 -17.522 491 HB3 SER 64 HB1 SER 64 -7.461 -3.749 -17.634 492 HG SER 64 HG SER 64 -9.038 -2.161 -18.884 493 H GLY 65 HN GLY 65 -6.124 -3.928 -16.296 494 HA2 GLY 65 HA2 GLY 65 -5.140 -3.684 -13.599 495 HA3 GLY 65 HA1 GLY 65 -4.243 -4.276 -14.993 496 H GLU 66 HN GLU 66 -5.653 -1.304 -15.697 497 HA GLU 66 HA GLU 66 -3.089 0.022 -15.656 498 HB2 GLU 66 HB2 GLU 66 -4.270 1.833 -16.789 499 HB3 GLU 66 HB1 GLU 66 -4.671 0.288 -17.539 500 HG2 GLU 66 HG2 GLU 66 -6.761 0.188 -16.231 501 HG3 GLU 66 HG1 GLU 66 -6.375 1.731 -15.474 502 H THR 67 HN THR 67 -5.530 -0.368 -13.357 503 HA THR 67 HA THR 67 -5.219 2.311 -12.240 504 HB THR 67 HB THR 67 -6.814 1.195 -10.471 505 HG1 THR 67 HG1 THR 67 -7.239 -0.370 -12.788 506 HG21 THR 67 HG21 THR 67 -7.617 1.915 -13.300 507 HG22 THR 67 HG22 THR 67 -7.413 3.041 -11.958 508 HG23 THR 67 HG23 THR 67 -8.715 1.851 -11.921 509 H GLN 68 HN GLN 68 -5.249 -0.866 -10.600 510 HA GLN 68 HA GLN 68 -4.229 -0.276 -8.287 511 HB2 GLN 68 HB2 GLN 68 -4.180 -2.642 -9.868 512 HB3 GLN 68 HB1 GLN 68 -2.761 -2.557 -8.863 513 HG2 GLN 68 HG2 GLN 68 -5.491 -1.966 -7.789 514 HG3 GLN 68 HG1 GLN 68 -4.838 -3.597 -7.794 515 HE21 GLN 68 HE21 GLN 68 -4.763 -3.593 -5.415 516 HE22 GLN 68 HE22 GLN 68 -3.575 -2.702 -4.586 517 H THR 69 HN THR 69 -3.007 1.222 -7.943 518 HA THR 69 HA THR 69 -0.546 1.926 -9.146 519 HB THR 69 HB THR 69 -0.190 3.351 -7.165 520 HG1 THR 69 HG1 THR 69 -1.002 1.814 -5.651 521 HG21 THR 69 HG21 THR 69 -1.721 4.146 -8.895 522 HG22 THR 69 HG22 THR 69 -2.320 4.626 -7.309 523 HG23 THR 69 HG23 THR 69 -3.055 3.263 -8.152 524 H VAL 70 HN VAL 70 -1.393 -0.621 -7.028 525 HA VAL 70 HA VAL 70 1.451 -1.241 -6.686 526 HB VAL 70 HB VAL 70 0.773 -0.429 -4.519 527 HG11 VAL 70 HG11 VAL 70 -1.123 -1.580 -3.304 528 HG12 VAL 70 HG12 VAL 70 -1.620 -2.236 -4.869 529 HG13 VAL 70 HG13 VAL 70 -1.613 -0.486 -4.603 530 HG21 VAL 70 HG21 VAL 70 0.922 -2.536 -3.181 531 HG22 VAL 70 HG22 VAL 70 2.147 -2.396 -4.442 532 HG23 VAL 70 HG23 VAL 70 0.744 -3.434 -4.684 533 H ALA 71 HN ALA 71 1.876 -3.459 -7.149 534 HA ALA 71 HA ALA 71 0.010 -4.626 -8.885 535 HB1 ALA 71 HB1 ALA 71 1.485 -6.614 -8.822 536 HB2 ALA 71 HB2 ALA 71 2.356 -5.893 -7.468 537 HB3 ALA 71 HB3 ALA 71 2.378 -5.108 -9.046 538 H ASN 72 HN ASN 72 -2.034 -5.118 -8.145 539 HA ASN 72 HA ASN 72 -2.371 -6.519 -5.631 540 HB2 ASN 72 HB2 ASN 72 -4.719 -6.706 -6.260 541 HB3 ASN 72 HB1 ASN 72 -4.145 -5.063 -6.497 542 HD21 ASN 72 HD21 ASN 72 -6.280 -5.329 -7.941 543 HD22 ASN 72 HD22 ASN 72 -5.982 -5.733 -9.569 Start of MODEL 3 1 H1 ASN 1 HT1 ASN 1 -16.080 11.881 0.366 2 H2 ASN 1 HT2 ASN 1 -14.818 11.095 -0.457 3 H3 ASN 1 HT3 ASN 1 -14.683 12.742 -0.063 4 HA ASN 1 HA ASN 1 -15.113 11.683 2.357 5 HB2 ASN 1 HB2 ASN 1 -13.364 9.748 0.810 6 HB3 ASN 1 HB1 ASN 1 -13.725 9.682 2.534 7 HD21 ASN 1 HD21 ASN 1 -14.516 8.065 -0.154 8 HD22 ASN 1 HD22 ASN 1 -16.159 7.718 0.151 9 H LEU 2 HN LEU 2 -12.729 11.272 3.432 10 HA LEU 2 HA LEU 2 -11.105 13.534 2.452 11 HB2 LEU 2 HB2 LEU 2 -11.986 13.863 4.702 12 HB3 LEU 2 HB1 LEU 2 -11.319 12.315 5.217 13 HG LEU 2 HG LEU 2 -9.035 13.146 4.745 14 HD11 LEU 2 HD11 LEU 2 -10.553 15.649 3.974 15 HD12 LEU 2 HD12 LEU 2 -9.418 14.729 2.986 16 HD13 LEU 2 HD13 LEU 2 -8.833 15.660 4.365 17 HD21 LEU 2 HD21 LEU 2 -10.003 13.440 6.997 18 HD22 LEU 2 HD22 LEU 2 -10.683 14.991 6.505 19 HD23 LEU 2 HD23 LEU 2 -8.935 14.784 6.596 20 H THR 3 HN THR 3 -9.230 13.054 1.523 21 HA THR 3 HA THR 3 -8.131 10.362 1.773 22 HB THR 3 HB THR 3 -6.612 11.058 -0.020 23 HG1 THR 3 HG1 THR 3 -6.689 13.142 -0.784 24 HG21 THR 3 HG21 THR 3 -9.495 11.881 -0.458 25 HG22 THR 3 HG22 THR 3 -8.834 10.257 -0.652 26 HG23 THR 3 HG23 THR 3 -8.335 11.549 -1.743 27 H LYS 4 HN LYS 4 -7.712 13.377 3.290 28 HA LYS 4 HA LYS 4 -4.938 13.430 3.737 29 HB2 LYS 4 HB2 LYS 4 -6.415 15.338 4.225 30 HB3 LYS 4 HB1 LYS 4 -7.154 14.425 5.542 31 HG2 LYS 4 HG2 LYS 4 -4.981 14.269 6.678 32 HG3 LYS 4 HG1 LYS 4 -4.214 15.144 5.353 33 HD2 LYS 4 HD2 LYS 4 -5.669 17.094 5.806 34 HD3 LYS 4 HD1 LYS 4 -6.402 16.222 7.153 35 HE2 LYS 4 HE2 LYS 4 -3.450 16.877 6.918 36 HE3 LYS 4 HE1 LYS 4 -4.603 17.771 7.907 37 HZ1 LYS 4 HZ1 LYS 4 -3.918 14.896 8.190 38 HZ2 LYS 4 HZ2 LYS 4 -5.079 15.720 9.116 39 HZ3 LYS 4 HZ3 LYS 4 -3.439 16.145 9.232 40 H GLN 5 HN GLN 5 -7.569 11.867 5.520 41 HA GLN 5 HA GLN 5 -5.600 10.105 6.791 42 HB2 GLN 5 HB2 GLN 5 -6.661 10.366 8.986 43 HB3 GLN 5 HB1 GLN 5 -5.946 11.853 8.414 44 HG2 GLN 5 HG2 GLN 5 -8.170 12.597 7.589 45 HG3 GLN 5 HG1 GLN 5 -8.870 11.122 8.255 46 HE21 GLN 5 HE21 GLN 5 -8.490 14.336 8.969 47 HE22 GLN 5 HE22 GLN 5 -8.496 14.249 10.664 48 H LYS 6 HN LYS 6 -6.768 8.432 8.147 49 HA LYS 6 HA LYS 6 -8.405 7.000 6.427 50 HB2 LYS 6 HB2 LYS 6 -7.849 6.670 9.369 51 HB3 LYS 6 HB1 LYS 6 -8.816 5.519 8.445 52 HG2 LYS 6 HG2 LYS 6 -6.926 5.164 6.901 53 HG3 LYS 6 HG1 LYS 6 -5.955 6.314 7.822 54 HD2 LYS 6 HD2 LYS 6 -6.155 4.887 9.824 55 HD3 LYS 6 HD1 LYS 6 -7.130 3.736 8.908 56 HE2 LYS 6 HE2 LYS 6 -5.248 3.368 7.358 57 HE3 LYS 6 HE1 LYS 6 -4.272 4.524 8.264 58 HZ1 LYS 6 HZ1 LYS 6 -3.658 2.481 9.132 59 HZ2 LYS 6 HZ2 LYS 6 -5.242 1.866 9.103 60 HZ3 LYS 6 HZ3 LYS 6 -4.802 3.035 10.255 61 H ASP 7 HN ASP 7 -9.166 9.024 9.196 62 HA ASP 7 HA ASP 7 -11.102 10.068 9.838 63 HB2 ASP 7 HB2 ASP 7 -11.376 10.461 7.362 64 HB3 ASP 7 HB1 ASP 7 -12.368 9.006 7.308 65 H ALA 8 HN ALA 8 -12.299 7.153 8.138 66 HA ALA 8 HA ALA 8 -13.174 6.040 10.700 67 HB1 ALA 8 HB1 ALA 8 -15.107 6.317 8.396 68 HB2 ALA 8 HB2 ALA 8 -15.033 7.475 9.726 69 HB3 ALA 8 HB3 ALA 8 -15.453 5.791 10.043 70 H VAL 9 HN VAL 9 -13.843 3.789 10.523 71 HA VAL 9 HA VAL 9 -12.078 2.184 9.125 72 HB VAL 9 HB VAL 9 -13.653 0.326 9.584 73 HG11 VAL 9 HG11 VAL 9 -13.530 0.495 11.972 74 HG12 VAL 9 HG12 VAL 9 -13.553 2.256 11.912 75 HG13 VAL 9 HG13 VAL 9 -12.137 1.373 11.343 76 HG21 VAL 9 HG21 VAL 9 -15.734 1.594 9.086 77 HG22 VAL 9 HG22 VAL 9 -15.478 2.553 10.545 78 HG23 VAL 9 HG23 VAL 9 -15.798 0.823 10.672 79 H SER 10 HN SER 10 -12.608 0.558 7.421 80 HA SER 10 HA SER 10 -13.367 1.844 5.039 81 HB2 SER 10 HB2 SER 10 -11.869 -0.068 5.021 82 HB3 SER 10 HB1 SER 10 -13.135 -1.105 5.670 83 HG SER 10 HG SER 10 -14.134 -1.093 3.775 84 H ASP 11 HN ASP 11 -15.188 1.960 3.913 85 HA ASP 11 HA ASP 11 -17.414 0.371 3.845 86 HB2 ASP 11 HB2 ASP 11 -17.375 2.066 6.270 87 HB3 ASP 11 HB1 ASP 11 -18.853 2.172 5.322 88 H THR 12 HN THR 12 -17.629 3.808 4.662 89 HA THR 12 HA THR 12 -18.703 4.378 2.017 90 HB THR 12 HB THR 12 -19.650 5.338 4.169 91 HG1 THR 12 HG1 THR 12 -18.744 7.024 2.083 92 HG21 THR 12 HG21 THR 12 -17.253 7.175 3.980 93 HG22 THR 12 HG22 THR 12 -17.344 5.825 5.112 94 HG23 THR 12 HG23 THR 12 -18.496 7.155 5.229 95 H GLY 13 HN GLY 13 -15.751 4.728 3.805 96 HA2 GLY 13 HA2 GLY 13 -14.572 6.756 2.128 97 HA3 GLY 13 HA1 GLY 13 -13.758 5.811 3.345 98 H THR 14 HN THR 14 -15.401 5.156 0.245 99 HA THR 14 HA THR 14 -13.543 3.076 -0.398 100 HB THR 14 HB THR 14 -14.523 3.217 -2.665 101 HG1 THR 14 HG1 THR 14 -15.224 5.088 -3.248 102 HG21 THR 14 HG21 THR 14 -16.821 2.677 -2.063 103 HG22 THR 14 HG22 THR 14 -16.639 3.502 -0.514 104 HG23 THR 14 HG23 THR 14 -15.734 2.022 -0.839 105 H ALA 15 HN ALA 15 -13.904 6.515 -1.008 106 HA ALA 15 HA ALA 15 -11.622 6.762 -2.707 107 HB1 ALA 15 HB1 ALA 15 -13.622 8.423 -2.344 108 HB2 ALA 15 HB2 ALA 15 -12.011 9.061 -2.676 109 HB3 ALA 15 HB3 ALA 15 -12.624 9.028 -1.022 110 H ALA 16 HN ALA 16 -12.241 7.111 0.695 111 HA ALA 16 HA ALA 16 -9.725 8.064 1.481 112 HB1 ALA 16 HB1 ALA 16 -10.429 7.685 3.667 113 HB2 ALA 16 HB2 ALA 16 -11.333 6.235 3.229 114 HB3 ALA 16 HB3 ALA 16 -11.967 7.828 2.815 115 H VAL 17 HN VAL 17 -10.998 4.828 0.959 116 HA VAL 17 HA VAL 17 -8.702 3.529 2.077 117 HB VAL 17 HB VAL 17 -10.991 2.464 1.661 118 HG11 VAL 17 HG11 VAL 17 -10.256 2.848 -1.084 119 HG12 VAL 17 HG12 VAL 17 -11.692 2.084 -0.438 120 HG13 VAL 17 HG13 VAL 17 -10.261 1.122 -0.779 121 HG21 VAL 17 HG21 VAL 17 -8.786 0.649 0.730 122 HG22 VAL 17 HG22 VAL 17 -9.998 0.400 1.985 123 HG23 VAL 17 HG23 VAL 17 -8.611 1.431 2.304 124 H VAL 18 HN VAL 18 -9.332 4.935 -1.011 125 HA VAL 18 HA VAL 18 -7.372 3.545 -2.489 126 HB VAL 18 HB VAL 18 -8.465 6.342 -2.814 127 HG11 VAL 18 HG11 VAL 18 -7.483 6.167 -5.125 128 HG12 VAL 18 HG12 VAL 18 -6.603 4.740 -4.583 129 HG13 VAL 18 HG13 VAL 18 -6.281 6.308 -3.843 130 HG21 VAL 18 HG21 VAL 18 -9.840 5.370 -4.521 131 HG22 VAL 18 HG22 VAL 18 -9.967 4.301 -3.124 132 HG23 VAL 18 HG23 VAL 18 -8.931 3.858 -4.481 133 H LYS 19 HN LYS 19 -7.298 6.500 -0.606 134 HA LYS 19 HA LYS 19 -4.614 7.211 -1.059 135 HB2 LYS 19 HB2 LYS 19 -6.409 8.708 -0.187 136 HB3 LYS 19 HB1 LYS 19 -6.274 7.885 1.367 137 HG2 LYS 19 HG2 LYS 19 -3.731 8.856 0.168 138 HG3 LYS 19 HG1 LYS 19 -4.840 10.095 0.748 139 HD2 LYS 19 HD2 LYS 19 -4.956 8.865 2.943 140 HD3 LYS 19 HD1 LYS 19 -3.690 7.791 2.355 141 HE2 LYS 19 HE2 LYS 19 -2.186 9.709 2.035 142 HE3 LYS 19 HE1 LYS 19 -3.447 10.800 2.608 143 HZ1 LYS 19 HZ1 LYS 19 -2.107 8.646 4.146 144 HZ2 LYS 19 HZ2 LYS 19 -3.462 9.506 4.706 145 HZ3 LYS 19 HZ3 LYS 19 -1.997 10.318 4.416 146 H VAL 20 HN VAL 20 -6.006 5.157 1.576 147 HA VAL 20 HA VAL 20 -3.605 5.169 3.082 148 HB VAL 20 HB VAL 20 -4.638 3.348 4.310 149 HG11 VAL 20 HG11 VAL 20 -6.768 4.624 4.884 150 HG12 VAL 20 HG12 VAL 20 -6.338 5.731 3.581 151 HG13 VAL 20 HG13 VAL 20 -5.268 5.548 4.972 152 HG21 VAL 20 HG21 VAL 20 -5.756 2.076 2.569 153 HG22 VAL 20 HG22 VAL 20 -6.651 3.496 2.063 154 HG23 VAL 20 HG23 VAL 20 -7.023 2.747 3.593 155 H VAL 21 HN VAL 21 -4.902 2.781 0.795 156 HA VAL 21 HA VAL 21 -2.877 0.873 1.188 157 HB VAL 21 HB VAL 21 -4.545 1.496 -1.221 158 HG11 VAL 21 HG11 VAL 21 -3.866 -0.891 -1.887 159 HG12 VAL 21 HG12 VAL 21 -2.515 -0.698 -0.742 160 HG13 VAL 21 HG13 VAL 21 -2.659 0.378 -2.132 161 HG21 VAL 21 HG21 VAL 21 -5.534 -0.790 -0.411 162 HG22 VAL 21 HG22 VAL 21 -5.955 0.672 0.478 163 HG23 VAL 21 HG23 VAL 21 -4.718 -0.419 1.105 164 H GLU 22 HN GLU 22 -3.037 3.642 -1.040 165 HA GLU 22 HA GLU 22 -0.636 3.105 -2.388 166 HB2 GLU 22 HB2 GLU 22 -2.126 5.673 -1.847 167 HB3 GLU 22 HB1 GLU 22 -0.693 5.587 -2.873 168 HG2 GLU 22 HG2 GLU 22 -1.782 4.022 -4.369 169 HG3 GLU 22 HG1 GLU 22 -3.178 3.904 -3.293 170 H SER 23 HN SER 23 -1.257 4.849 0.680 171 HA SER 23 HA SER 23 1.367 5.933 0.927 172 HB2 SER 23 HB2 SER 23 -0.711 5.274 3.019 173 HB3 SER 23 HB1 SER 23 0.773 6.164 3.341 174 HG SER 23 HG SER 23 -1.203 6.881 1.427 175 H GLN 24 HN GLN 24 -0.130 3.003 2.308 176 HA GLN 24 HA GLN 24 2.297 2.105 3.527 177 HB2 GLN 24 HB2 GLN 24 -0.277 0.654 2.937 178 HB3 GLN 24 HB1 GLN 24 1.128 -0.168 3.611 179 HG2 GLN 24 HG2 GLN 24 -0.018 0.467 5.544 180 HG3 GLN 24 HG1 GLN 24 1.122 1.796 5.345 181 HE21 GLN 24 HE21 GLN 24 0.084 3.735 5.790 182 HE22 GLN 24 HE22 GLN 24 -1.504 4.116 5.329 183 H ALA 25 HN ALA 25 0.765 1.574 0.461 184 HA ALA 25 HA ALA 25 2.348 -0.504 -0.534 185 HB1 ALA 25 HB1 ALA 25 0.873 1.729 -1.896 186 HB2 ALA 25 HB2 ALA 25 0.403 0.034 -1.757 187 HB3 ALA 25 HB3 ALA 25 1.758 0.493 -2.789 188 H GLU 26 HN GLU 26 2.794 2.974 -0.521 189 HA GLU 26 HA GLU 26 5.139 3.028 -2.140 190 HB2 GLU 26 HB2 GLU 26 3.690 4.996 -1.812 191 HB3 GLU 26 HB1 GLU 26 4.093 5.008 -0.096 192 HG2 GLU 26 HG2 GLU 26 5.484 6.638 -1.257 193 HG3 GLU 26 HG1 GLU 26 6.495 5.306 -0.700 194 H LEU 27 HN LEU 27 4.468 2.919 1.318 195 HA LEU 27 HA LEU 27 7.182 3.162 2.154 196 HB2 LEU 27 HB2 LEU 27 5.326 3.761 3.630 197 HB3 LEU 27 HB1 LEU 27 4.793 2.079 3.652 198 HG LEU 27 HG LEU 27 7.015 1.424 4.582 199 HD11 LEU 27 HD11 LEU 27 8.456 3.155 3.821 200 HD12 LEU 27 HD12 LEU 27 8.368 3.356 5.571 201 HD13 LEU 27 HD13 LEU 27 7.435 4.415 4.513 202 HD21 LEU 27 HD21 LEU 27 5.152 1.797 6.119 203 HD22 LEU 27 HD22 LEU 27 5.467 3.532 6.126 204 HD23 LEU 27 HD23 LEU 27 6.632 2.423 6.848 205 H TYR 28 HN TYR 28 5.123 0.418 1.504 206 HA TYR 28 HA TYR 28 6.802 -1.544 2.674 207 HB2 TYR 28 HB2 TYR 28 4.447 -2.043 2.292 208 HB3 TYR 28 HB1 TYR 28 4.672 -1.910 0.546 209 HD1 TYR 28 HD1 TYR 28 5.652 -3.816 3.578 210 HD2 TYR 28 HD2 TYR 28 5.672 -3.691 -0.716 211 HE1 TYR 28 HE1 TYR 28 6.422 -6.171 3.514 212 HE2 TYR 28 HE2 TYR 28 6.442 -6.047 -0.777 213 HH TYR 28 HH TYR 28 6.166 -8.119 1.059 214 H GLU 29 HN GLU 29 6.295 -0.258 -0.604 215 HA GLU 29 HA GLU 29 8.451 -1.847 -1.606 216 HB2 GLU 29 HB2 GLU 29 8.303 -0.468 -3.602 217 HB3 GLU 29 HB1 GLU 29 6.725 -1.105 -3.158 218 HG2 GLU 29 HG2 GLU 29 6.232 1.127 -3.615 219 HG3 GLU 29 HG1 GLU 29 6.480 1.153 -1.874 220 H LEU 30 HN LEU 30 8.168 1.200 0.143 221 HA LEU 30 HA LEU 30 10.667 2.231 -0.774 222 HB2 LEU 30 HB2 LEU 30 9.126 3.630 0.571 223 HB3 LEU 30 HB1 LEU 30 9.354 2.552 1.951 224 HG LEU 30 HG LEU 30 11.777 3.078 1.949 225 HD11 LEU 30 HD11 LEU 30 12.465 5.103 0.559 226 HD12 LEU 30 HD12 LEU 30 10.966 4.876 -0.346 227 HD13 LEU 30 HD13 LEU 30 12.196 3.612 -0.346 228 HD21 LEU 30 HD21 LEU 30 10.159 5.636 1.944 229 HD22 LEU 30 HD22 LEU 30 11.573 5.255 2.927 230 HD23 LEU 30 HD23 LEU 30 10.040 4.438 3.233 231 H LYS 31 HN LYS 31 9.637 0.211 1.876 232 HA LYS 31 HA LYS 31 12.056 -0.440 3.081 233 HB2 LYS 31 HB2 LYS 31 9.888 -1.094 4.028 234 HB3 LYS 31 HB1 LYS 31 9.650 -2.234 2.709 235 HG2 LYS 31 HG2 LYS 31 11.669 -3.464 3.376 236 HG3 LYS 31 HG1 LYS 31 11.934 -2.320 4.692 237 HD2 LYS 31 HD2 LYS 31 9.766 -2.945 5.685 238 HD3 LYS 31 HD1 LYS 31 9.492 -4.089 4.370 239 HE2 LYS 31 HE2 LYS 31 11.513 -5.340 5.027 240 HE3 LYS 31 HE1 LYS 31 11.798 -4.195 6.339 241 HZ1 LYS 31 HZ1 LYS 31 10.058 -4.990 7.542 242 HZ2 LYS 31 HZ2 LYS 31 10.487 -6.417 6.727 243 HZ3 LYS 31 HZ3 LYS 31 9.175 -5.485 6.181 244 H ASN 32 HN ASN 32 10.375 -2.023 0.360 245 HA ASN 32 HA ASN 32 12.694 -3.817 -0.042 246 HB2 ASN 32 HB2 ASN 32 10.162 -3.574 -1.668 247 HB3 ASN 32 HB1 ASN 32 11.334 -4.889 -1.734 248 HD21 ASN 32 HD21 ASN 32 11.797 -5.740 0.730 249 HD22 ASN 32 HD22 ASN 32 10.378 -6.070 1.602 250 H THR 33 HN THR 33 10.831 -1.835 -2.281 251 HA THR 33 HA THR 33 11.422 -0.306 -3.862 252 HB THR 33 HB THR 33 14.344 -0.804 -3.313 253 HG1 THR 33 HG1 THR 33 13.947 -0.087 -1.394 254 HG21 THR 33 HG21 THR 33 13.489 0.589 -5.288 255 HG22 THR 33 HG22 THR 33 14.634 1.383 -4.205 256 HG23 THR 33 HG23 THR 33 12.910 1.740 -4.084 257 H ASN 34 HN ASN 34 13.231 -3.354 -3.772 258 HA ASN 34 HA ASN 34 13.983 -3.381 -6.485 259 HB2 ASN 34 HB2 ASN 34 13.393 -5.609 -4.528 260 HB3 ASN 34 HB1 ASN 34 13.994 -5.898 -6.160 261 HD21 ASN 34 HD21 ASN 34 15.508 -6.550 -3.762 262 HD22 ASN 34 HD22 ASN 34 16.891 -5.565 -3.754 263 H GLU 35 HN GLU 35 11.041 -4.477 -4.812 264 HA GLU 35 HA GLU 35 9.750 -4.869 -7.452 265 HB2 GLU 35 HB2 GLU 35 9.028 -6.032 -4.743 266 HB3 GLU 35 HB1 GLU 35 8.213 -6.377 -6.268 267 HG2 GLU 35 HG2 GLU 35 10.291 -7.302 -7.201 268 HG3 GLU 35 HG1 GLU 35 11.123 -6.975 -5.681 269 H LYS 36 HN LYS 36 7.102 -4.909 -6.460 270 HA LYS 36 HA LYS 36 6.741 -2.267 -5.261 271 HB2 LYS 36 HB2 LYS 36 5.679 -3.300 -7.843 272 HB3 LYS 36 HB1 LYS 36 4.531 -2.466 -6.793 273 HG2 LYS 36 HG2 LYS 36 5.398 -0.673 -7.997 274 HG3 LYS 36 HG1 LYS 36 6.481 -0.685 -6.605 275 HD2 LYS 36 HD2 LYS 36 7.969 -2.260 -8.002 276 HD3 LYS 36 HD1 LYS 36 6.995 -1.751 -9.382 277 HE2 LYS 36 HE2 LYS 36 8.875 -0.272 -9.325 278 HE3 LYS 36 HE1 LYS 36 7.511 0.651 -8.695 279 HZ1 LYS 36 HZ1 LYS 36 8.256 0.398 -6.512 280 HZ2 LYS 36 HZ2 LYS 36 9.667 0.741 -7.394 281 HZ3 LYS 36 HZ3 LYS 36 9.327 -0.853 -6.913 282 H ALA 37 HN ALA 37 5.310 -2.365 -3.595 283 HA ALA 37 HA ALA 37 4.525 -4.743 -2.438 284 HB1 ALA 37 HB1 ALA 37 4.349 -2.153 -1.679 285 HB2 ALA 37 HB2 ALA 37 3.463 -3.443 -0.871 286 HB3 ALA 37 HB3 ALA 37 2.652 -2.446 -2.088 287 H SER 38 HN SER 38 2.032 -5.193 -1.969 288 HA SER 38 HA SER 38 0.328 -4.717 -4.266 289 HB2 SER 38 HB2 SER 38 0.043 -7.011 -4.896 290 HB3 SER 38 HB1 SER 38 1.772 -6.666 -4.954 291 HG SER 38 HG SER 38 0.544 -8.547 -3.586 292 H LEU 39 HN LEU 39 -1.837 -5.430 -3.830 293 HA LEU 39 HA LEU 39 -2.554 -5.057 -1.135 294 HB2 LEU 39 HB2 LEU 39 -4.137 -6.395 -3.329 295 HB3 LEU 39 HB1 LEU 39 -4.777 -6.141 -1.704 296 HG LEU 39 HG LEU 39 -3.719 -3.905 -3.445 297 HD11 LEU 39 HD11 LEU 39 -6.589 -4.534 -2.881 298 HD12 LEU 39 HD12 LEU 39 -5.772 -5.166 -4.307 299 HD13 LEU 39 HD13 LEU 39 -5.934 -3.429 -4.085 300 HD21 LEU 39 HD21 LEU 39 -3.634 -3.311 -1.121 301 HD22 LEU 39 HD22 LEU 39 -5.199 -4.058 -0.818 302 HD23 LEU 39 HD23 LEU 39 -5.095 -2.578 -1.759 303 H SER 40 HN SER 40 -2.049 -8.084 -2.933 304 HA SER 40 HA SER 40 -2.759 -9.756 -0.763 305 HB2 SER 40 HB2 SER 40 -1.518 -11.495 -1.957 306 HB3 SER 40 HB1 SER 40 -2.505 -10.572 -3.087 307 HG SER 40 HG SER 40 -0.621 -10.448 -4.068 308 H LYS 41 HN LYS 41 0.192 -8.045 -1.648 309 HA LYS 41 HA LYS 41 1.823 -9.375 0.261 310 HB2 LYS 41 HB2 LYS 41 2.233 -7.037 -1.526 311 HB3 LYS 41 HB1 LYS 41 3.429 -7.456 -0.303 312 HG2 LYS 41 HG2 LYS 41 3.756 -9.636 -1.235 313 HG3 LYS 41 HG1 LYS 41 2.350 -9.470 -2.286 314 HD2 LYS 41 HD2 LYS 41 4.405 -9.119 -3.578 315 HD3 LYS 41 HD1 LYS 41 3.489 -7.615 -3.483 316 HE2 LYS 41 HE2 LYS 41 4.916 -6.822 -1.670 317 HE3 LYS 41 HE1 LYS 41 5.800 -8.344 -1.665 318 HZ1 LYS 41 HZ1 LYS 41 6.672 -6.287 -2.993 319 HZ2 LYS 41 HZ2 LYS 41 5.591 -6.849 -4.176 320 HZ3 LYS 41 HZ3 LYS 41 6.842 -7.854 -3.619 321 H LEU 42 HN LEU 42 0.689 -5.985 0.248 322 HA LEU 42 HA LEU 42 1.791 -5.250 2.653 323 HB2 LEU 42 HB2 LEU 42 -0.860 -4.457 1.368 324 HB3 LEU 42 HB1 LEU 42 -0.070 -3.582 2.677 325 HG LEU 42 HG LEU 42 1.305 -4.092 0.040 326 HD11 LEU 42 HD11 LEU 42 -0.747 -2.784 -0.371 327 HD12 LEU 42 HD12 LEU 42 0.676 -1.754 -0.522 328 HD13 LEU 42 HD13 LEU 42 -0.313 -1.679 0.936 329 HD21 LEU 42 HD21 LEU 42 1.735 -2.243 2.397 330 HD22 LEU 42 HD22 LEU 42 2.599 -2.085 0.869 331 HD23 LEU 42 HD23 LEU 42 2.797 -3.538 1.847 332 H VAL 43 HN VAL 43 -1.176 -6.568 1.719 333 HA VAL 43 HA VAL 43 -2.316 -6.464 4.216 334 HB VAL 43 HB VAL 43 -3.386 -6.693 1.914 335 HG11 VAL 43 HG11 VAL 43 -2.632 -9.023 1.506 336 HG12 VAL 43 HG12 VAL 43 -4.392 -8.887 1.523 337 HG13 VAL 43 HG13 VAL 43 -3.544 -9.538 2.926 338 HG21 VAL 43 HG21 VAL 43 -4.525 -7.803 4.465 339 HG22 VAL 43 HG22 VAL 43 -5.454 -7.256 3.080 340 HG23 VAL 43 HG23 VAL 43 -4.482 -6.102 3.984 341 H SER 44 HN SER 44 -0.785 -9.351 2.572 342 HA SER 44 HA SER 44 -1.395 -10.895 4.754 343 HB2 SER 44 HB2 SER 44 -0.514 -11.882 2.671 344 HB3 SER 44 HB1 SER 44 1.019 -11.053 2.931 345 HG SER 44 HG SER 44 -0.177 -13.016 4.603 346 H SER 45 HN SER 45 1.235 -8.851 3.866 347 HA SER 45 HA SER 45 2.943 -8.865 6.080 348 HB2 SER 45 HB2 SER 45 2.246 -6.686 4.123 349 HB3 SER 45 HB1 SER 45 3.506 -6.523 5.338 350 HG SER 45 HG SER 45 4.615 -7.394 3.731 351 H GLY 46 HN GLY 46 -0.258 -8.231 6.335 352 HA2 GLY 46 HA2 GLY 46 -1.660 -6.823 7.445 353 HA3 GLY 46 HA1 GLY 46 -0.708 -7.418 8.800 354 H ASN 47 HN ASN 47 0.382 -5.296 6.206 355 HA ASN 47 HA ASN 47 1.381 -3.254 7.967 356 HB2 ASN 47 HB2 ASN 47 2.205 -3.778 5.593 357 HB3 ASN 47 HB1 ASN 47 0.716 -3.035 5.019 358 HD21 ASN 47 HD21 ASN 47 3.349 -1.935 4.467 359 HD22 ASN 47 HD22 ASN 47 3.436 -0.424 5.234 360 H ILE 48 HN ILE 48 -1.336 -3.964 5.956 361 HA ILE 48 HA ILE 48 -2.998 -1.855 7.153 362 HB ILE 48 HB ILE 48 -4.116 -1.744 4.900 363 HG12 ILE 48 HG12 ILE 48 -1.644 -3.176 3.924 364 HG13 ILE 48 HG11 ILE 48 -3.144 -4.033 4.213 365 HG21 ILE 48 HG21 ILE 48 -2.446 -0.324 3.905 366 HG22 ILE 48 HG22 ILE 48 -1.158 -1.137 4.791 367 HG23 ILE 48 HG23 ILE 48 -2.328 -0.137 5.654 368 HD11 ILE 48 HD11 ILE 48 -2.693 -1.743 2.280 369 HD12 ILE 48 HD12 ILE 48 -4.283 -2.413 2.650 370 HD13 ILE 48 HD13 ILE 48 -3.063 -3.418 1.867 371 H SER 49 HN SER 49 -5.334 -2.469 7.078 372 HA SER 49 HA SER 49 -5.579 -5.329 7.580 373 HB2 SER 49 HB2 SER 49 -7.489 -3.028 8.017 374 HB3 SER 49 HB1 SER 49 -7.840 -4.706 8.426 375 HG SER 49 HG SER 49 -6.992 -3.593 10.214 376 H GLN 50 HN GLN 50 -6.616 -6.692 6.388 377 HA GLN 50 HA GLN 50 -7.086 -6.546 3.720 378 HB2 GLN 50 HB2 GLN 50 -7.180 -8.583 5.246 379 HB3 GLN 50 HB1 GLN 50 -8.856 -8.124 5.499 380 HG2 GLN 50 HG2 GLN 50 -8.797 -9.775 3.726 381 HG3 GLN 50 HG1 GLN 50 -9.221 -8.232 3.028 382 HE21 GLN 50 HE21 GLN 50 -8.120 -7.934 1.069 383 HE22 GLN 50 HE22 GLN 50 -6.536 -8.443 0.767 384 H LYS 51 HN LYS 51 -9.147 -5.138 6.064 385 HA LYS 51 HA LYS 51 -11.533 -5.160 4.450 386 HB2 LYS 51 HB2 LYS 51 -12.460 -3.738 6.145 387 HB3 LYS 51 HB1 LYS 51 -11.417 -4.904 6.940 388 HG2 LYS 51 HG2 LYS 51 -9.615 -3.263 7.107 389 HG3 LYS 51 HG1 LYS 51 -10.628 -2.068 6.294 390 HD2 LYS 51 HD2 LYS 51 -12.285 -2.220 8.110 391 HD3 LYS 51 HD1 LYS 51 -11.274 -3.409 8.933 392 HE2 LYS 51 HE2 LYS 51 -9.452 -1.755 9.097 393 HE3 LYS 51 HE1 LYS 51 -10.457 -0.564 8.271 394 HZ1 LYS 51 HZ1 LYS 51 -11.140 -1.886 10.841 395 HZ2 LYS 51 HZ2 LYS 51 -12.052 -0.685 10.056 396 HZ3 LYS 51 HZ3 LYS 51 -10.519 -0.315 10.690 397 H GLN 52 HN GLN 52 -8.874 -3.163 5.181 398 HA GLN 52 HA GLN 52 -9.445 -0.921 3.510 399 HB2 GLN 52 HB2 GLN 52 -7.690 -1.406 5.515 400 HB3 GLN 52 HB1 GLN 52 -6.644 -1.735 4.140 401 HG2 GLN 52 HG2 GLN 52 -6.808 0.492 3.330 402 HG3 GLN 52 HG1 GLN 52 -8.269 0.796 4.278 403 HE21 GLN 52 HE21 GLN 52 -4.961 1.444 4.295 404 HE22 GLN 52 HE22 GLN 52 -4.766 1.671 5.968 405 H ALA 53 HN ALA 53 -7.208 -3.733 3.340 406 HA ALA 53 HA ALA 53 -6.332 -3.271 0.740 407 HB1 ALA 53 HB1 ALA 53 -5.339 -5.364 0.827 408 HB2 ALA 53 HB2 ALA 53 -6.675 -6.069 1.731 409 HB3 ALA 53 HB3 ALA 53 -5.551 -4.976 2.533 410 H ASP 54 HN ASP 54 -9.160 -5.047 1.795 411 HA ASP 54 HA ASP 54 -9.804 -6.149 -0.739 412 HB2 ASP 54 HB2 ASP 54 -11.522 -5.472 1.624 413 HB3 ASP 54 HB1 ASP 54 -12.183 -6.215 0.173 414 H SER 55 HN SER 55 -10.672 -3.039 0.683 415 HA SER 55 HA SER 55 -12.538 -2.388 -1.324 416 HB2 SER 55 HB2 SER 55 -10.827 -0.626 0.407 417 HB3 SER 55 HB1 SER 55 -12.118 -0.035 -0.628 418 HG SER 55 HG SER 55 -13.584 -1.024 0.617 419 H TYR 56 HN TYR 56 -8.946 -1.874 -1.134 420 HA TYR 56 HA TYR 56 -8.964 -0.397 -3.603 421 HB2 TYR 56 HB2 TYR 56 -7.070 -0.678 -1.756 422 HB3 TYR 56 HB1 TYR 56 -6.532 -1.886 -2.924 423 HD1 TYR 56 HD1 TYR 56 -6.187 1.453 -2.102 424 HD2 TYR 56 HD2 TYR 56 -6.957 -1.031 -5.499 425 HE1 TYR 56 HE1 TYR 56 -5.404 3.265 -3.601 426 HE2 TYR 56 HE2 TYR 56 -6.193 0.783 -6.997 427 HH TYR 56 HH TYR 56 -6.012 3.341 -6.856 428 H LYS 57 HN LYS 57 -8.552 -3.759 -2.713 429 HA LYS 57 HA LYS 57 -7.833 -4.876 -5.169 430 HB2 LYS 57 HB2 LYS 57 -7.916 -6.133 -3.027 431 HB3 LYS 57 HB1 LYS 57 -9.674 -6.046 -3.063 432 HG2 LYS 57 HG2 LYS 57 -9.710 -7.271 -5.197 433 HG3 LYS 57 HG1 LYS 57 -7.943 -7.349 -5.186 434 HD2 LYS 57 HD2 LYS 57 -8.007 -8.629 -3.079 435 HD3 LYS 57 HD1 LYS 57 -9.769 -8.551 -3.082 436 HE2 LYS 57 HE2 LYS 57 -9.825 -9.770 -5.225 437 HE3 LYS 57 HE1 LYS 57 -8.064 -9.843 -5.233 438 HZ1 LYS 57 HZ1 LYS 57 -8.567 -10.859 -2.837 439 HZ2 LYS 57 HZ2 LYS 57 -8.461 -11.812 -4.240 440 HZ3 LYS 57 HZ3 LYS 57 -9.981 -11.347 -3.639 441 H ALA 58 HN ALA 58 -10.871 -3.752 -3.907 442 HA ALA 58 HA ALA 58 -12.601 -4.882 -5.829 443 HB1 ALA 58 HB1 ALA 58 -12.971 -3.471 -3.570 444 HB2 ALA 58 HB2 ALA 58 -14.210 -3.583 -4.821 445 HB3 ALA 58 HB3 ALA 58 -13.166 -2.165 -4.738 446 H TYR 59 HN TYR 59 -10.587 -1.908 -5.829 447 HA TYR 59 HA TYR 59 -11.698 -0.820 -8.200 448 HB2 TYR 59 HB2 TYR 59 -9.009 -0.495 -6.870 449 HB3 TYR 59 HB1 TYR 59 -9.412 0.321 -8.378 450 HD1 TYR 59 HD1 TYR 59 -10.404 -0.075 -4.820 451 HD2 TYR 59 HD2 TYR 59 -10.895 2.192 -8.433 452 HE1 TYR 59 HE1 TYR 59 -11.633 1.669 -3.556 453 HE2 TYR 59 HE2 TYR 59 -12.128 3.935 -7.170 454 HH TYR 59 HH TYR 59 -12.077 4.654 -4.504 455 H TYR 60 HN TYR 60 -9.109 -3.218 -7.639 456 HA TYR 60 HA TYR 60 -8.240 -3.485 -10.330 457 HB2 TYR 60 HB2 TYR 60 -6.971 -4.475 -8.540 458 HB3 TYR 60 HB1 TYR 60 -8.350 -5.436 -8.023 459 HD1 TYR 60 HD1 TYR 60 -6.016 -4.873 -10.856 460 HD2 TYR 60 HD2 TYR 60 -8.826 -7.531 -9.013 461 HE1 TYR 60 HE1 TYR 60 -5.361 -6.659 -12.449 462 HE2 TYR 60 HE2 TYR 60 -8.180 -9.324 -10.602 463 HH TYR 60 HH TYR 60 -5.430 -9.006 -12.702 464 H GLY 61 HN GLY 61 -10.607 -5.006 -8.285 465 HA2 GLY 61 HA2 GLY 61 -11.680 -6.940 -9.904 466 HA3 GLY 61 HA1 GLY 61 -12.538 -6.092 -8.632 467 H LYS 62 HN LYS 62 -12.682 -3.519 -9.663 468 HA LYS 62 HA LYS 62 -14.936 -3.697 -11.292 469 HB2 LYS 62 HB2 LYS 62 -14.461 -1.738 -9.908 470 HB3 LYS 62 HB1 LYS 62 -13.081 -1.338 -10.928 471 HG2 LYS 62 HG2 LYS 62 -14.994 0.024 -11.596 472 HG3 LYS 62 HG1 LYS 62 -14.630 -1.127 -12.876 473 HD2 LYS 62 HD2 LYS 62 -16.432 -2.598 -12.123 474 HD3 LYS 62 HD1 LYS 62 -16.754 -1.539 -10.750 475 HE2 LYS 62 HE2 LYS 62 -17.347 0.286 -12.301 476 HE3 LYS 62 HE1 LYS 62 -17.017 -0.772 -13.673 477 HZ1 LYS 62 HZ1 LYS 62 -18.966 -1.496 -11.568 478 HZ2 LYS 62 HZ2 LYS 62 -18.807 -2.154 -13.126 479 HZ3 LYS 62 HZ3 LYS 62 -19.414 -0.580 -12.923 480 H HIS 63 HN HIS 63 -11.556 -2.959 -12.232 481 HA HIS 63 HA HIS 63 -12.372 -3.508 -15.028 482 HB2 HIS 63 HB2 HIS 63 -10.409 -1.456 -13.996 483 HB3 HIS 63 HB1 HIS 63 -10.470 -1.970 -15.683 484 HD1 HIS 63 HD1 HIS 63 -11.157 0.938 -15.024 485 HD2 HIS 63 HD2 HIS 63 -14.011 -2.094 -15.221 486 HE1 HIS 63 HE1 HIS 63 -13.373 2.070 -15.489 487 HE2 HIS 63 HE2 HIS 63 -15.125 0.235 -15.610 488 H SER 64 HN SER 64 -9.132 -2.957 -13.691 489 HA SER 64 HA SER 64 -8.394 -5.725 -13.716 490 HB2 SER 64 HB2 SER 64 -8.610 -5.158 -16.173 491 HB3 SER 64 HB1 SER 64 -7.268 -4.038 -15.955 492 HG SER 64 HG SER 64 -6.029 -5.714 -16.149 493 H GLY 65 HN GLY 65 -5.634 -5.250 -14.463 494 HA2 GLY 65 HA2 GLY 65 -4.589 -4.354 -11.976 495 HA3 GLY 65 HA1 GLY 65 -3.656 -4.770 -13.411 496 H GLU 66 HN GLU 66 -5.755 -2.577 -14.560 497 HA GLU 66 HA GLU 66 -3.788 -0.471 -14.550 498 HB2 GLU 66 HB2 GLU 66 -5.314 0.645 -16.086 499 HB3 GLU 66 HB1 GLU 66 -5.119 -1.043 -16.560 500 HG2 GLU 66 HG2 GLU 66 -7.222 -1.614 -15.388 501 HG3 GLU 66 HG1 GLU 66 -7.433 0.076 -14.935 502 H THR 67 HN THR 67 -6.379 -1.289 -12.485 503 HA THR 67 HA THR 67 -6.834 1.523 -11.768 504 HB THR 67 HB THR 67 -8.693 0.686 -10.409 505 HG1 THR 67 HG1 THR 67 -7.781 -1.318 -9.884 506 HG21 THR 67 HG21 THR 67 -9.107 1.208 -12.761 507 HG22 THR 67 HG22 THR 67 -10.066 -0.194 -12.283 508 HG23 THR 67 HG23 THR 67 -8.594 -0.414 -13.232 509 H GLN 68 HN GLN 68 -5.094 -1.285 -10.618 510 HA GLN 68 HA GLN 68 -4.953 -0.189 -7.935 511 HB2 GLN 68 HB2 GLN 68 -4.485 -2.747 -9.189 512 HB3 GLN 68 HB1 GLN 68 -3.190 -2.313 -8.103 513 HG2 GLN 68 HG2 GLN 68 -5.702 -1.675 -6.867 514 HG3 GLN 68 HG1 GLN 68 -5.725 -3.340 -7.414 515 HE21 GLN 68 HE21 GLN 68 -4.155 -4.789 -6.583 516 HE22 GLN 68 HE22 GLN 68 -3.210 -4.441 -5.215 517 H THR 69 HN THR 69 -3.784 1.550 -7.850 518 HA THR 69 HA THR 69 -1.588 2.327 -9.294 519 HB THR 69 HB THR 69 -2.129 2.890 -6.369 520 HG1 THR 69 HG1 THR 69 -3.483 4.362 -7.079 521 HG21 THR 69 HG21 THR 69 -0.386 4.241 -8.441 522 HG22 THR 69 HG22 THR 69 0.124 3.535 -6.907 523 HG23 THR 69 HG23 THR 69 -0.853 5.003 -6.921 524 H VAL 70 HN VAL 70 -1.743 -0.126 -6.807 525 HA VAL 70 HA VAL 70 1.215 -0.230 -6.829 526 HB VAL 70 HB VAL 70 0.475 0.067 -4.572 527 HG11 VAL 70 HG11 VAL 70 -1.118 -1.665 -3.577 528 HG12 VAL 70 HG12 VAL 70 -1.516 -2.104 -5.245 529 HG13 VAL 70 HG13 VAL 70 -1.850 -0.469 -4.656 530 HG21 VAL 70 HG21 VAL 70 1.269 -1.977 -3.563 531 HG22 VAL 70 HG22 VAL 70 2.182 -1.701 -5.046 532 HG23 VAL 70 HG23 VAL 70 0.873 -2.889 -5.019 533 H ALA 71 HN ALA 71 2.208 -2.337 -7.175 534 HA ALA 71 HA ALA 71 1.034 -3.747 -9.235 535 HB1 ALA 71 HB1 ALA 71 2.832 -5.203 -9.094 536 HB2 ALA 71 HB2 ALA 71 2.844 -5.177 -7.331 537 HB3 ALA 71 HB3 ALA 71 3.470 -3.800 -8.238 538 H ASN 72 HN ASN 72 -0.801 -4.849 -9.241 539 HA ASN 72 HA ASN 72 -2.351 -5.664 -7.158 540 HB2 ASN 72 HB2 ASN 72 -2.033 -6.459 -9.967 541 HB3 ASN 72 HB1 ASN 72 -2.772 -7.692 -8.943 542 HD21 ASN 72 HD21 ASN 72 -4.672 -6.975 -7.615 543 HD22 ASN 72 HD22 ASN 72 -5.642 -5.710 -8.205 Start of MODEL 4 1 H1 ASN 1 HT1 ASN 1 -23.791 3.130 -6.260 2 H2 ASN 1 HT2 ASN 1 -22.373 3.217 -5.327 3 H3 ASN 1 HT3 ASN 1 -23.447 1.919 -5.124 4 HA ASN 1 HA ASN 1 -21.742 1.007 -6.387 5 HB2 ASN 1 HB2 ASN 1 -23.984 1.985 -8.172 6 HB3 ASN 1 HB1 ASN 1 -22.767 0.829 -8.709 7 HD21 ASN 1 HD21 ASN 1 -25.576 0.163 -8.514 8 HD22 ASN 1 HD22 ASN 1 -25.742 -1.019 -7.291 9 H LEU 2 HN LEU 2 -19.763 1.873 -6.686 10 HA LEU 2 HA LEU 2 -18.050 3.122 -7.578 11 HB2 LEU 2 HB2 LEU 2 -19.999 3.478 -9.872 12 HB3 LEU 2 HB1 LEU 2 -18.260 3.759 -9.937 13 HG LEU 2 HG LEU 2 -19.567 1.096 -9.294 14 HD11 LEU 2 HD11 LEU 2 -18.246 2.169 -11.803 15 HD12 LEU 2 HD12 LEU 2 -19.913 1.624 -11.629 16 HD13 LEU 2 HD13 LEU 2 -18.592 0.461 -11.534 17 HD21 LEU 2 HD21 LEU 2 -17.423 1.219 -8.217 18 HD22 LEU 2 HD22 LEU 2 -16.690 1.992 -9.623 19 HD23 LEU 2 HD23 LEU 2 -17.176 0.298 -9.701 20 H THR 3 HN THR 3 -19.495 4.482 -5.712 21 HA THR 3 HA THR 3 -19.776 7.190 -6.871 22 HB THR 3 HB THR 3 -21.085 6.030 -4.401 23 HG1 THR 3 HG1 THR 3 -22.115 5.279 -6.184 24 HG21 THR 3 HG21 THR 3 -21.137 8.773 -5.672 25 HG22 THR 3 HG22 THR 3 -20.703 8.355 -4.014 26 HG23 THR 3 HG23 THR 3 -22.378 8.221 -4.546 27 H LYS 4 HN LYS 4 -18.409 8.713 -6.197 28 HA LYS 4 HA LYS 4 -16.908 8.262 -3.687 29 HB2 LYS 4 HB2 LYS 4 -15.860 9.357 -6.310 30 HB3 LYS 4 HB1 LYS 4 -14.959 9.346 -4.793 31 HG2 LYS 4 HG2 LYS 4 -15.140 6.888 -4.697 32 HG3 LYS 4 HG1 LYS 4 -16.036 6.895 -6.218 33 HD2 LYS 4 HD2 LYS 4 -14.103 7.929 -7.355 34 HD3 LYS 4 HD1 LYS 4 -13.204 7.915 -5.835 35 HE2 LYS 4 HE2 LYS 4 -13.374 5.459 -5.751 36 HE3 LYS 4 HE1 LYS 4 -14.280 5.466 -7.263 37 HZ1 LYS 4 HZ1 LYS 4 -12.243 6.781 -8.123 38 HZ2 LYS 4 HZ2 LYS 4 -12.146 5.090 -7.980 39 HZ3 LYS 4 HZ3 LYS 4 -11.443 6.087 -6.797 40 H GLN 5 HN GLN 5 -16.465 10.101 -2.450 41 HA GLN 5 HA GLN 5 -17.258 12.724 -3.421 42 HB2 GLN 5 HB2 GLN 5 -18.877 13.126 -1.634 43 HB3 GLN 5 HB1 GLN 5 -19.387 11.788 -2.647 44 HG2 GLN 5 HG2 GLN 5 -18.428 10.190 -1.010 45 HG3 GLN 5 HG1 GLN 5 -17.991 11.550 0.023 46 HE21 GLN 5 HE21 GLN 5 -20.322 9.222 -0.286 47 HE22 GLN 5 HE22 GLN 5 -21.639 10.045 0.399 48 H LYS 6 HN LYS 6 -16.764 14.433 -1.913 49 HA LYS 6 HA LYS 6 -14.966 13.633 0.251 50 HB2 LYS 6 HB2 LYS 6 -13.524 14.215 -1.643 51 HB3 LYS 6 HB1 LYS 6 -14.358 15.756 -1.823 52 HG2 LYS 6 HG2 LYS 6 -12.264 16.084 -0.596 53 HG3 LYS 6 HG1 LYS 6 -13.632 16.392 0.471 54 HD2 LYS 6 HD2 LYS 6 -13.405 14.231 1.512 55 HD3 LYS 6 HD1 LYS 6 -12.217 13.719 0.312 56 HE2 LYS 6 HE2 LYS 6 -11.080 14.363 2.385 57 HE3 LYS 6 HE1 LYS 6 -10.682 15.505 1.103 58 HZ1 LYS 6 HZ1 LYS 6 -11.969 17.138 2.023 59 HZ2 LYS 6 HZ2 LYS 6 -11.430 16.351 3.429 60 HZ3 LYS 6 HZ3 LYS 6 -12.991 16.050 2.830 61 H ASP 7 HN ASP 7 -15.395 14.683 2.114 62 HA ASP 7 HA ASP 7 -17.203 17.015 1.956 63 HB2 ASP 7 HB2 ASP 7 -18.304 15.243 3.087 64 HB3 ASP 7 HB1 ASP 7 -16.873 14.867 4.044 65 H ALA 8 HN ALA 8 -15.232 15.849 4.655 66 HA ALA 8 HA ALA 8 -13.456 18.148 4.524 67 HB1 ALA 8 HB1 ALA 8 -15.728 18.723 5.735 68 HB2 ALA 8 HB2 ALA 8 -14.194 19.269 6.414 69 HB3 ALA 8 HB3 ALA 8 -14.993 17.844 7.075 70 H VAL 9 HN VAL 9 -12.737 17.932 7.358 71 HA VAL 9 HA VAL 9 -10.755 15.983 7.231 72 HB VAL 9 HB VAL 9 -10.592 16.231 9.689 73 HG11 VAL 9 HG11 VAL 9 -9.607 17.945 8.207 74 HG12 VAL 9 HG12 VAL 9 -10.198 18.668 9.705 75 HG13 VAL 9 HG13 VAL 9 -11.132 18.830 8.218 76 HG21 VAL 9 HG21 VAL 9 -13.080 17.944 9.400 77 HG22 VAL 9 HG22 VAL 9 -12.199 17.610 10.891 78 HG23 VAL 9 HG23 VAL 9 -13.072 16.314 10.075 79 H SER 10 HN SER 10 -14.133 15.718 8.009 80 HA SER 10 HA SER 10 -13.744 12.864 8.686 81 HB2 SER 10 HB2 SER 10 -16.008 14.732 9.429 82 HB3 SER 10 HB1 SER 10 -15.972 13.007 9.782 83 HG SER 10 HG SER 10 -14.477 15.108 10.862 84 H ASP 11 HN ASP 11 -14.535 11.418 7.278 85 HA ASP 11 HA ASP 11 -16.864 11.871 5.682 86 HB2 ASP 11 HB2 ASP 11 -14.870 13.190 4.580 87 HB3 ASP 11 HB1 ASP 11 -14.387 11.591 4.019 88 H THR 12 HN THR 12 -16.859 10.050 3.836 89 HA THR 12 HA THR 12 -16.604 7.567 5.241 90 HB THR 12 HB THR 12 -17.398 6.549 3.163 91 HG1 THR 12 HG1 THR 12 -17.394 7.638 1.301 92 HG21 THR 12 HG21 THR 12 -18.768 9.194 3.722 93 HG22 THR 12 HG22 THR 12 -19.037 7.697 4.615 94 HG23 THR 12 HG23 THR 12 -19.496 7.806 2.915 95 H GLY 13 HN GLY 13 -15.320 5.723 4.429 96 HA2 GLY 13 HA2 GLY 13 -12.630 6.641 3.747 97 HA3 GLY 13 HA1 GLY 13 -13.046 5.068 4.357 98 H THR 14 HN THR 14 -15.153 5.870 1.850 99 HA THR 14 HA THR 14 -14.104 3.817 0.217 100 HB THR 14 HB THR 14 -15.544 4.755 -1.562 101 HG1 THR 14 HG1 THR 14 -16.729 6.683 -0.968 102 HG21 THR 14 HG21 THR 14 -17.647 4.474 -0.445 103 HG22 THR 14 HG22 THR 14 -16.960 4.969 1.102 104 HG23 THR 14 HG23 THR 14 -16.493 3.429 0.383 105 H ALA 15 HN ALA 15 -13.660 7.276 0.433 106 HA ALA 15 HA ALA 15 -11.831 7.486 -1.773 107 HB1 ALA 15 HB1 ALA 15 -12.814 9.541 -1.267 108 HB2 ALA 15 HB2 ALA 15 -11.219 9.681 -0.525 109 HB3 ALA 15 HB3 ALA 15 -12.626 9.305 0.471 110 H ALA 16 HN ALA 16 -11.612 7.076 1.650 111 HA ALA 16 HA ALA 16 -8.883 7.443 2.024 112 HB1 ALA 16 HB1 ALA 16 -10.531 7.310 3.859 113 HB2 ALA 16 HB2 ALA 16 -9.173 6.211 4.110 114 HB3 ALA 16 HB3 ALA 16 -10.722 5.585 3.543 115 H VAL 17 HN VAL 17 -10.679 4.572 1.002 116 HA VAL 17 HA VAL 17 -8.696 2.670 1.414 117 HB VAL 17 HB VAL 17 -11.004 2.221 0.499 118 HG11 VAL 17 HG11 VAL 17 -11.550 2.593 -1.718 119 HG12 VAL 17 HG12 VAL 17 -9.880 2.479 -2.273 120 HG13 VAL 17 HG13 VAL 17 -10.448 3.944 -1.490 121 HG21 VAL 17 HG21 VAL 17 -10.125 0.339 -0.978 122 HG22 VAL 17 HG22 VAL 17 -9.450 0.413 0.647 123 HG23 VAL 17 HG23 VAL 17 -8.516 1.008 -0.727 124 H VAL 18 HN VAL 18 -8.925 5.052 -1.205 125 HA VAL 18 HA VAL 18 -6.746 3.926 -2.683 126 HB VAL 18 HB VAL 18 -8.024 6.663 -2.733 127 HG11 VAL 18 HG11 VAL 18 -5.889 5.451 -4.514 128 HG12 VAL 18 HG12 VAL 18 -5.720 6.881 -3.496 129 HG13 VAL 18 HG13 VAL 18 -6.788 6.918 -4.898 130 HG21 VAL 18 HG21 VAL 18 -9.517 4.968 -3.549 131 HG22 VAL 18 HG22 VAL 18 -8.222 4.151 -4.426 132 HG23 VAL 18 HG23 VAL 18 -8.812 5.718 -4.979 133 H LYS 19 HN LYS 19 -7.063 6.587 -0.388 134 HA LYS 19 HA LYS 19 -4.394 7.462 -0.429 135 HB2 LYS 19 HB2 LYS 19 -6.223 8.782 0.508 136 HB3 LYS 19 HB1 LYS 19 -6.413 7.613 1.814 137 HG2 LYS 19 HG2 LYS 19 -4.122 8.075 2.585 138 HG3 LYS 19 HG1 LYS 19 -3.898 9.217 1.260 139 HD2 LYS 19 HD2 LYS 19 -5.710 10.620 2.131 140 HD3 LYS 19 HD1 LYS 19 -6.002 9.462 3.430 141 HE2 LYS 19 HE2 LYS 19 -4.629 11.317 4.259 142 HE3 LYS 19 HE1 LYS 19 -3.687 9.825 4.249 143 HZ1 LYS 19 HZ1 LYS 19 -2.557 10.476 2.320 144 HZ2 LYS 19 HZ2 LYS 19 -2.589 11.871 3.290 145 HZ3 LYS 19 HZ3 LYS 19 -3.657 11.723 1.978 146 H VAL 20 HN VAL 20 -5.934 5.053 1.742 147 HA VAL 20 HA VAL 20 -3.669 4.737 3.398 148 HB VAL 20 HB VAL 20 -4.874 2.745 4.211 149 HG11 VAL 20 HG11 VAL 20 -6.910 4.090 4.939 150 HG12 VAL 20 HG12 VAL 20 -6.345 5.368 3.862 151 HG13 VAL 20 HG13 VAL 20 -5.350 4.862 5.227 152 HG21 VAL 20 HG21 VAL 20 -7.377 2.777 3.189 153 HG22 VAL 20 HG22 VAL 20 -6.114 1.756 2.510 154 HG23 VAL 20 HG23 VAL 20 -6.512 3.284 1.748 155 H VAL 21 HN VAL 21 -4.936 2.626 0.802 156 HA VAL 21 HA VAL 21 -2.866 0.730 1.087 157 HB VAL 21 HB VAL 21 -4.730 1.280 -1.212 158 HG11 VAL 21 HG11 VAL 21 -2.450 -0.686 -0.917 159 HG12 VAL 21 HG12 VAL 21 -3.013 0.190 -2.347 160 HG13 VAL 21 HG13 VAL 21 -3.933 -1.195 -1.756 161 HG21 VAL 21 HG21 VAL 21 -5.554 -1.033 -0.305 162 HG22 VAL 21 HG22 VAL 21 -5.961 0.417 0.610 163 HG23 VAL 21 HG23 VAL 21 -4.638 -0.620 1.142 164 H GLU 22 HN GLU 22 -3.183 3.476 -1.181 165 HA GLU 22 HA GLU 22 -0.824 2.906 -2.609 166 HB2 GLU 22 HB2 GLU 22 -2.367 5.461 -2.176 167 HB3 GLU 22 HB1 GLU 22 -0.968 5.352 -3.245 168 HG2 GLU 22 HG2 GLU 22 -2.057 3.657 -4.593 169 HG3 GLU 22 HG1 GLU 22 -3.413 3.576 -3.465 170 H SER 23 HN SER 23 -1.344 5.002 0.263 171 HA SER 23 HA SER 23 1.318 6.028 0.302 172 HB2 SER 23 HB2 SER 23 -0.729 5.746 2.511 173 HB3 SER 23 HB1 SER 23 0.787 6.626 2.669 174 HG SER 23 HG SER 23 -0.143 8.224 1.690 175 H GLN 24 HN GLN 24 -0.273 3.391 1.960 176 HA GLN 24 HA GLN 24 1.984 2.496 3.444 177 HB2 GLN 24 HB2 GLN 24 -0.554 1.077 2.598 178 HB3 GLN 24 HB1 GLN 24 0.651 0.366 3.674 179 HG2 GLN 24 HG2 GLN 24 -0.805 2.984 4.164 180 HG3 GLN 24 HG1 GLN 24 -1.178 1.453 4.954 181 HE21 GLN 24 HE21 GLN 24 0.199 4.247 5.749 182 HE22 GLN 24 HE22 GLN 24 1.475 3.719 6.734 183 H ALA 25 HN ALA 25 0.662 1.752 0.320 184 HA ALA 25 HA ALA 25 2.186 -0.459 -0.396 185 HB1 ALA 25 HB1 ALA 25 0.917 1.740 -1.987 186 HB2 ALA 25 HB2 ALA 25 0.451 0.043 -1.869 187 HB3 ALA 25 HB3 ALA 25 1.897 0.501 -2.774 188 H GLU 26 HN GLU 26 2.833 3.009 -0.631 189 HA GLU 26 HA GLU 26 5.293 2.840 -2.032 190 HB2 GLU 26 HB2 GLU 26 3.965 4.911 -1.928 191 HB3 GLU 26 HB1 GLU 26 4.249 5.003 -0.189 192 HG2 GLU 26 HG2 GLU 26 6.660 5.166 -0.559 193 HG3 GLU 26 HG1 GLU 26 6.426 4.995 -2.296 194 H LEU 27 HN LEU 27 4.369 2.910 1.364 195 HA LEU 27 HA LEU 27 6.984 3.153 2.401 196 HB2 LEU 27 HB2 LEU 27 4.989 3.563 3.786 197 HB3 LEU 27 HB1 LEU 27 4.570 1.852 3.683 198 HG LEU 27 HG LEU 27 6.789 1.295 4.697 199 HD11 LEU 27 HD11 LEU 27 7.913 3.258 5.902 200 HD12 LEU 27 HD12 LEU 27 6.973 4.305 4.840 201 HD13 LEU 27 HD13 LEU 27 8.135 3.169 4.155 202 HD21 LEU 27 HD21 LEU 27 5.238 3.235 6.435 203 HD22 LEU 27 HD22 LEU 27 6.127 1.801 6.950 204 HD23 LEU 27 HD23 LEU 27 4.632 1.630 6.029 205 H TYR 28 HN TYR 28 5.053 0.386 1.442 206 HA TYR 28 HA TYR 28 6.837 -1.569 2.494 207 HB2 TYR 28 HB2 TYR 28 4.530 -2.182 2.076 208 HB3 TYR 28 HB1 TYR 28 4.712 -1.883 0.348 209 HD1 TYR 28 HD1 TYR 28 5.890 -3.970 3.192 210 HD2 TYR 28 HD2 TYR 28 5.757 -3.503 -1.075 211 HE1 TYR 28 HE1 TYR 28 6.786 -6.266 2.912 212 HE2 TYR 28 HE2 TYR 28 6.650 -5.798 -1.355 213 HH TYR 28 HH TYR 28 6.744 -8.050 1.145 214 H GLU 29 HN GLU 29 6.461 0.251 -0.497 215 HA GLU 29 HA GLU 29 8.436 -1.175 -1.957 216 HB2 GLU 29 HB2 GLU 29 7.316 1.620 -2.188 217 HB3 GLU 29 HB1 GLU 29 8.498 0.946 -3.314 218 HG2 GLU 29 HG2 GLU 29 7.056 -0.834 -3.907 219 HG3 GLU 29 HG1 GLU 29 5.973 -0.467 -2.574 220 H LEU 30 HN LEU 30 8.468 1.484 0.410 221 HA LEU 30 HA LEU 30 11.190 2.170 -0.074 222 HB2 LEU 30 HB2 LEU 30 9.721 3.622 1.288 223 HB3 LEU 30 HB1 LEU 30 9.580 2.346 2.500 224 HG LEU 30 HG LEU 30 12.032 2.431 2.860 225 HD11 LEU 30 HD11 LEU 30 12.848 3.180 0.739 226 HD12 LEU 30 HD12 LEU 30 13.217 4.469 1.884 227 HD13 LEU 30 HD13 LEU 30 11.844 4.629 0.788 228 HD21 LEU 30 HD21 LEU 30 10.648 3.787 4.317 229 HD22 LEU 30 HD22 LEU 30 10.537 5.060 3.101 230 HD23 LEU 30 HD23 LEU 30 12.079 4.731 3.895 231 H LYS 31 HN LYS 31 9.507 -0.050 2.116 232 HA LYS 31 HA LYS 31 11.721 -1.171 3.409 233 HB2 LYS 31 HB2 LYS 31 9.415 -1.718 4.064 234 HB3 LYS 31 HB1 LYS 31 9.186 -2.594 2.557 235 HG2 LYS 31 HG2 LYS 31 9.705 -4.192 4.308 236 HG3 LYS 31 HG1 LYS 31 11.071 -4.107 3.198 237 HD2 LYS 31 HD2 LYS 31 12.274 -2.630 4.721 238 HD3 LYS 31 HD1 LYS 31 10.881 -2.559 5.800 239 HE2 LYS 31 HE2 LYS 31 11.066 -4.987 6.195 240 HE3 LYS 31 HE1 LYS 31 12.460 -5.055 5.115 241 HZ1 LYS 31 HZ1 LYS 31 12.731 -4.758 7.702 242 HZ2 LYS 31 HZ2 LYS 31 12.528 -3.119 7.305 243 HZ3 LYS 31 HZ3 LYS 31 13.792 -4.014 6.608 244 H ASN 32 HN ASN 32 10.128 -2.124 0.401 245 HA ASN 32 HA ASN 32 12.663 -3.394 -0.496 246 HB2 ASN 32 HB2 ASN 32 9.882 -4.452 -1.055 247 HB3 ASN 32 HB1 ASN 32 11.406 -5.180 -1.559 248 HD21 ASN 32 HD21 ASN 32 12.983 -5.372 0.573 249 HD22 ASN 32 HD22 ASN 32 12.225 -6.121 1.894 250 H THR 33 HN THR 33 13.326 -1.851 -1.942 251 HA THR 33 HA THR 33 11.380 -0.556 -3.674 252 HB THR 33 HB THR 33 13.333 0.642 -2.615 253 HG1 THR 33 HG1 THR 33 13.462 1.945 -4.332 254 HG21 THR 33 HG21 THR 33 14.913 -0.768 -4.778 255 HG22 THR 33 HG22 THR 33 14.965 -1.219 -3.075 256 HG23 THR 33 HG23 THR 33 15.530 0.373 -3.583 257 H ASN 34 HN ASN 34 13.404 -3.322 -3.872 258 HA ASN 34 HA ASN 34 14.100 -3.312 -6.594 259 HB2 ASN 34 HB2 ASN 34 15.001 -4.928 -4.966 260 HB3 ASN 34 HB1 ASN 34 13.415 -5.691 -4.855 261 HD21 ASN 34 HD21 ASN 34 13.262 -7.510 -6.156 262 HD22 ASN 34 HD22 ASN 34 14.061 -7.718 -7.639 263 H GLU 35 HN GLU 35 11.190 -4.512 -4.967 264 HA GLU 35 HA GLU 35 9.903 -4.891 -7.608 265 HB2 GLU 35 HB2 GLU 35 9.037 -5.959 -4.902 266 HB3 GLU 35 HB1 GLU 35 8.358 -6.381 -6.475 267 HG2 GLU 35 HG2 GLU 35 11.234 -6.901 -5.682 268 HG3 GLU 35 HG1 GLU 35 9.951 -8.108 -5.635 269 H LYS 36 HN LYS 36 7.237 -4.858 -6.585 270 HA LYS 36 HA LYS 36 6.993 -2.183 -5.439 271 HB2 LYS 36 HB2 LYS 36 5.253 -3.331 -7.633 272 HB3 LYS 36 HB1 LYS 36 5.017 -1.790 -6.811 273 HG2 LYS 36 HG2 LYS 36 7.464 -2.524 -8.458 274 HG3 LYS 36 HG1 LYS 36 6.128 -1.533 -9.040 275 HD2 LYS 36 HD2 LYS 36 6.568 0.095 -7.215 276 HD3 LYS 36 HD1 LYS 36 7.945 -0.879 -6.700 277 HE2 LYS 36 HE2 LYS 36 8.988 -0.583 -8.915 278 HE3 LYS 36 HE1 LYS 36 7.620 0.406 -9.426 279 HZ1 LYS 36 HZ1 LYS 36 9.001 1.145 -6.956 280 HZ2 LYS 36 HZ2 LYS 36 8.250 2.133 -8.117 281 HZ3 LYS 36 HZ3 LYS 36 9.786 1.472 -8.424 282 H ALA 37 HN ALA 37 5.427 -2.134 -3.829 283 HA ALA 37 HA ALA 37 4.773 -4.442 -2.535 284 HB1 ALA 37 HB1 ALA 37 2.612 -2.455 -2.304 285 HB2 ALA 37 HB2 ALA 37 4.224 -1.740 -2.136 286 HB3 ALA 37 HB3 ALA 37 3.732 -3.056 -1.073 287 H SER 38 HN SER 38 2.585 -5.440 -2.253 288 HA SER 38 HA SER 38 0.967 -5.248 -4.717 289 HB2 SER 38 HB2 SER 38 1.734 -7.769 -3.314 290 HB3 SER 38 HB1 SER 38 0.784 -7.642 -4.776 291 HG SER 38 HG SER 38 3.287 -8.013 -4.740 292 H LEU 39 HN LEU 39 -1.218 -5.459 -4.263 293 HA LEU 39 HA LEU 39 -2.152 -4.701 -1.765 294 HB2 LEU 39 HB2 LEU 39 -3.454 -4.748 -3.935 295 HB3 LEU 39 HB1 LEU 39 -3.697 -6.476 -3.658 296 HG LEU 39 HG LEU 39 -4.321 -4.646 -1.392 297 HD11 LEU 39 HD11 LEU 39 -5.362 -3.379 -3.103 298 HD12 LEU 39 HD12 LEU 39 -6.629 -4.372 -2.420 299 HD13 LEU 39 HD13 LEU 39 -5.908 -4.820 -3.953 300 HD21 LEU 39 HD21 LEU 39 -6.279 -6.314 -1.306 301 HD22 LEU 39 HD22 LEU 39 -4.674 -6.984 -1.018 302 HD23 LEU 39 HD23 LEU 39 -5.448 -7.194 -2.589 303 H SER 40 HN SER 40 -1.705 -7.901 -3.125 304 HA SER 40 HA SER 40 -2.725 -9.371 -0.915 305 HB2 SER 40 HB2 SER 40 -1.567 -11.283 -1.911 306 HB3 SER 40 HB1 SER 40 -2.399 -10.360 -3.158 307 HG SER 40 HG SER 40 -0.484 -9.516 -3.813 308 H LYS 41 HN LYS 41 0.445 -7.996 -1.683 309 HA LYS 41 HA LYS 41 1.802 -9.350 0.407 310 HB2 LYS 41 HB2 LYS 41 2.570 -7.026 -1.287 311 HB3 LYS 41 HB1 LYS 41 3.619 -7.655 -0.024 312 HG2 LYS 41 HG2 LYS 41 3.597 -9.863 -1.081 313 HG3 LYS 41 HG1 LYS 41 2.516 -9.277 -2.337 314 HD2 LYS 41 HD2 LYS 41 4.227 -7.603 -3.004 315 HD3 LYS 41 HD1 LYS 41 5.308 -8.240 -1.765 316 HE2 LYS 41 HE2 LYS 41 5.261 -10.451 -2.861 317 HE3 LYS 41 HE1 LYS 41 4.178 -9.799 -4.093 318 HZ1 LYS 41 HZ1 LYS 41 6.192 -9.542 -5.108 319 HZ2 LYS 41 HZ2 LYS 41 7.029 -9.266 -3.655 320 HZ3 LYS 41 HZ3 LYS 41 6.065 -8.040 -4.330 321 H LEU 42 HN LEU 42 0.726 -5.942 0.199 322 HA LEU 42 HA LEU 42 1.745 -5.136 2.618 323 HB2 LEU 42 HB2 LEU 42 -0.884 -4.365 1.280 324 HB3 LEU 42 HB1 LEU 42 -0.094 -3.460 2.572 325 HG LEU 42 HG LEU 42 1.199 -4.033 -0.099 326 HD11 LEU 42 HD11 LEU 42 0.612 -1.789 -0.736 327 HD12 LEU 42 HD12 LEU 42 -0.012 -1.432 0.876 328 HD13 LEU 42 HD13 LEU 42 -0.874 -2.556 -0.178 329 HD21 LEU 42 HD21 LEU 42 2.821 -3.631 1.625 330 HD22 LEU 42 HD22 LEU 42 1.878 -2.291 2.279 331 HD23 LEU 42 HD23 LEU 42 2.663 -2.135 0.709 332 H VAL 43 HN VAL 43 -1.178 -6.528 1.635 333 HA VAL 43 HA VAL 43 -2.367 -6.366 4.115 334 HB VAL 43 HB VAL 43 -3.423 -6.669 1.801 335 HG11 VAL 43 HG11 VAL 43 -4.428 -8.887 1.508 336 HG12 VAL 43 HG12 VAL 43 -3.536 -9.485 2.906 337 HG13 VAL 43 HG13 VAL 43 -2.670 -8.998 1.450 338 HG21 VAL 43 HG21 VAL 43 -5.491 -7.264 3.009 339 HG22 VAL 43 HG22 VAL 43 -4.549 -6.042 3.854 340 HG23 VAL 43 HG23 VAL 43 -4.528 -7.721 4.403 341 H SER 44 HN SER 44 -0.797 -9.300 2.597 342 HA SER 44 HA SER 44 -1.447 -10.748 4.813 343 HB2 SER 44 HB2 SER 44 0.922 -10.921 2.949 344 HB3 SER 44 HB1 SER 44 0.550 -12.133 4.158 345 HG SER 44 HG SER 44 -0.448 -11.889 1.725 346 H SER 45 HN SER 45 1.197 -8.711 3.920 347 HA SER 45 HA SER 45 2.867 -8.674 6.160 348 HB2 SER 45 HB2 SER 45 3.411 -7.615 4.010 349 HB3 SER 45 HB1 SER 45 2.210 -6.369 4.326 350 HG SER 45 HG SER 45 4.679 -6.309 5.048 351 H GLY 46 HN GLY 46 -0.326 -8.103 6.474 352 HA2 GLY 46 HA2 GLY 46 -1.733 -6.682 7.569 353 HA3 GLY 46 HA1 GLY 46 -0.699 -7.143 8.915 354 H ASN 47 HN ASN 47 0.227 -5.216 6.147 355 HA ASN 47 HA ASN 47 1.223 -2.988 7.658 356 HB2 ASN 47 HB2 ASN 47 0.668 -3.550 4.741 357 HB3 ASN 47 HB1 ASN 47 1.245 -1.979 5.287 358 HD21 ASN 47 HD21 ASN 47 2.797 -3.727 3.563 359 HD22 ASN 47 HD22 ASN 47 4.169 -4.224 4.424 360 H ILE 48 HN ILE 48 -1.545 -3.912 5.825 361 HA ILE 48 HA ILE 48 -3.168 -1.710 6.886 362 HB ILE 48 HB ILE 48 -4.343 -1.792 4.630 363 HG12 ILE 48 HG12 ILE 48 -1.773 -3.042 3.688 364 HG13 ILE 48 HG11 ILE 48 -3.150 -4.040 4.100 365 HG21 ILE 48 HG21 ILE 48 -1.458 -0.915 4.822 366 HG22 ILE 48 HG22 ILE 48 -2.894 0.064 5.130 367 HG23 ILE 48 HG23 ILE 48 -2.527 -0.476 3.491 368 HD11 ILE 48 HD11 ILE 48 -4.515 -2.596 2.497 369 HD12 ILE 48 HD12 ILE 48 -3.295 -3.618 1.738 370 HD13 ILE 48 HD13 ILE 48 -2.984 -1.898 1.971 371 H SER 49 HN SER 49 -5.466 -2.268 6.927 372 HA SER 49 HA SER 49 -5.823 -5.025 7.729 373 HB2 SER 49 HB2 SER 49 -6.851 -3.236 9.023 374 HB3 SER 49 HB1 SER 49 -7.753 -2.701 7.618 375 HG SER 49 HG SER 49 -8.512 -4.462 9.362 376 H GLN 50 HN GLN 50 -6.763 -6.573 6.596 377 HA GLN 50 HA GLN 50 -7.135 -6.608 3.883 378 HB2 GLN 50 HB2 GLN 50 -7.227 -8.568 5.503 379 HB3 GLN 50 HB1 GLN 50 -8.909 -8.112 5.732 380 HG2 GLN 50 HG2 GLN 50 -8.793 -9.847 4.022 381 HG3 GLN 50 HG1 GLN 50 -9.295 -8.345 3.286 382 HE21 GLN 50 HE21 GLN 50 -8.204 -7.967 1.341 383 HE22 GLN 50 HE22 GLN 50 -6.616 -8.452 1.013 384 H LYS 51 HN LYS 51 -9.244 -5.121 6.156 385 HA LYS 51 HA LYS 51 -11.625 -5.227 4.529 386 HB2 LYS 51 HB2 LYS 51 -12.589 -3.796 6.194 387 HB3 LYS 51 HB1 LYS 51 -11.517 -4.913 7.019 388 HG2 LYS 51 HG2 LYS 51 -9.757 -3.214 7.150 389 HG3 LYS 51 HG1 LYS 51 -10.808 -2.070 6.310 390 HD2 LYS 51 HD2 LYS 51 -12.462 -2.231 8.127 391 HD3 LYS 51 HD1 LYS 51 -11.419 -3.369 8.978 392 HE2 LYS 51 HE2 LYS 51 -9.648 -1.660 9.110 393 HE3 LYS 51 HE1 LYS 51 -10.683 -0.518 8.253 394 HZ1 LYS 51 HZ1 LYS 51 -12.067 -0.285 10.036 395 HZ2 LYS 51 HZ2 LYS 51 -10.597 -0.552 10.845 396 HZ3 LYS 51 HZ3 LYS 51 -11.716 -1.819 10.669 397 H GLN 52 HN GLN 52 -9.035 -3.171 5.269 398 HA GLN 52 HA GLN 52 -9.605 -0.990 3.530 399 HB2 GLN 52 HB2 GLN 52 -7.581 -1.718 5.425 400 HB3 GLN 52 HB1 GLN 52 -6.787 -1.312 3.911 401 HG2 GLN 52 HG2 GLN 52 -7.469 0.893 3.995 402 HG3 GLN 52 HG1 GLN 52 -8.965 0.502 4.844 403 HE21 GLN 52 HE21 GLN 52 -6.288 2.253 5.403 404 HE22 GLN 52 HE22 GLN 52 -6.040 1.933 7.050 405 H ALA 53 HN ALA 53 -7.324 -3.803 3.376 406 HA ALA 53 HA ALA 53 -6.540 -3.311 0.723 407 HB1 ALA 53 HB1 ALA 53 -5.530 -4.909 2.412 408 HB2 ALA 53 HB2 ALA 53 -5.577 -5.453 0.736 409 HB3 ALA 53 HB3 ALA 53 -6.759 -6.062 1.895 410 H ASP 54 HN ASP 54 -9.263 -5.176 1.920 411 HA ASP 54 HA ASP 54 -9.924 -6.345 -0.574 412 HB2 ASP 54 HB2 ASP 54 -11.643 -5.669 1.793 413 HB3 ASP 54 HB1 ASP 54 -12.296 -6.459 0.361 414 H SER 55 HN SER 55 -10.828 -3.253 0.805 415 HA SER 55 HA SER 55 -12.671 -2.615 -1.238 416 HB2 SER 55 HB2 SER 55 -11.075 -0.899 0.655 417 HB3 SER 55 HB1 SER 55 -12.283 -0.251 -0.453 418 HG SER 55 HG SER 55 -12.592 -2.054 1.705 419 H TYR 56 HN TYR 56 -9.095 -2.066 -0.934 420 HA TYR 56 HA TYR 56 -8.995 -0.476 -3.306 421 HB2 TYR 56 HB2 TYR 56 -7.295 -0.659 -1.359 422 HB3 TYR 56 HB1 TYR 56 -6.674 -2.048 -2.248 423 HD1 TYR 56 HD1 TYR 56 -7.872 1.427 -3.006 424 HD2 TYR 56 HD2 TYR 56 -4.913 -1.597 -3.730 425 HE1 TYR 56 HE1 TYR 56 -6.671 2.970 -4.525 426 HE2 TYR 56 HE2 TYR 56 -3.715 -0.052 -5.255 427 HH TYR 56 HH TYR 56 -5.034 2.610 -6.579 428 H LYS 57 HN LYS 57 -8.552 -3.808 -2.555 429 HA LYS 57 HA LYS 57 -7.652 -4.818 -5.016 430 HB2 LYS 57 HB2 LYS 57 -7.681 -6.135 -2.915 431 HB3 LYS 57 HB1 LYS 57 -9.443 -6.187 -2.996 432 HG2 LYS 57 HG2 LYS 57 -9.329 -7.351 -5.158 433 HG3 LYS 57 HG1 LYS 57 -7.562 -7.277 -5.113 434 HD2 LYS 57 HD2 LYS 57 -7.566 -8.608 -3.027 435 HD3 LYS 57 HD1 LYS 57 -9.326 -8.705 -3.099 436 HE2 LYS 57 HE2 LYS 57 -7.448 -9.732 -5.245 437 HE3 LYS 57 HE1 LYS 57 -8.240 -10.738 -4.034 438 HZ1 LYS 57 HZ1 LYS 57 -10.351 -9.514 -4.957 439 HZ2 LYS 57 HZ2 LYS 57 -9.731 -10.896 -5.726 440 HZ3 LYS 57 HZ3 LYS 57 -9.386 -9.351 -6.342 441 H ALA 58 HN ALA 58 -10.775 -3.921 -3.825 442 HA ALA 58 HA ALA 58 -12.383 -5.109 -5.823 443 HB1 ALA 58 HB1 ALA 58 -13.173 -2.494 -4.636 444 HB2 ALA 58 HB2 ALA 58 -12.893 -3.823 -3.512 445 HB3 ALA 58 HB3 ALA 58 -14.098 -3.988 -4.791 446 H TYR 59 HN TYR 59 -10.579 -1.986 -5.662 447 HA TYR 59 HA TYR 59 -11.745 -0.903 -8.016 448 HB2 TYR 59 HB2 TYR 59 -9.110 -0.435 -6.615 449 HB3 TYR 59 HB1 TYR 59 -9.577 0.441 -8.073 450 HD1 TYR 59 HD1 TYR 59 -10.447 -0.209 -4.535 451 HD2 TYR 59 HD2 TYR 59 -11.315 2.112 -8.039 452 HE1 TYR 59 HE1 TYR 59 -11.833 1.326 -3.171 453 HE2 TYR 59 HE2 TYR 59 -12.704 3.648 -6.677 454 HH TYR 59 HH TYR 59 -12.631 3.680 -3.293 455 H TYR 60 HN TYR 60 -8.981 -3.061 -7.447 456 HA TYR 60 HA TYR 60 -8.043 -3.156 -10.128 457 HB2 TYR 60 HB2 TYR 60 -6.675 -4.011 -8.262 458 HB3 TYR 60 HB1 TYR 60 -7.904 -5.235 -7.915 459 HD1 TYR 60 HD1 TYR 60 -5.541 -4.027 -10.536 460 HD2 TYR 60 HD2 TYR 60 -8.003 -7.261 -9.145 461 HE1 TYR 60 HE1 TYR 60 -4.546 -5.519 -12.248 462 HE2 TYR 60 HE2 TYR 60 -7.006 -8.754 -10.856 463 HH TYR 60 HH TYR 60 -5.741 -8.071 -13.378 464 H GLY 61 HN GLY 61 -10.326 -4.960 -8.166 465 HA2 GLY 61 HA2 GLY 61 -11.099 -6.957 -9.893 466 HA3 GLY 61 HA1 GLY 61 -12.146 -6.191 -8.708 467 H LYS 62 HN LYS 62 -12.449 -3.695 -9.570 468 HA LYS 62 HA LYS 62 -14.376 -3.799 -11.607 469 HB2 LYS 62 HB2 LYS 62 -13.112 -1.753 -9.944 470 HB3 LYS 62 HB1 LYS 62 -13.595 -1.164 -11.534 471 HG2 LYS 62 HG2 LYS 62 -15.465 -0.902 -9.995 472 HG3 LYS 62 HG1 LYS 62 -15.860 -2.160 -11.166 473 HD2 LYS 62 HD2 LYS 62 -15.223 -3.895 -9.556 474 HD3 LYS 62 HD1 LYS 62 -14.752 -2.660 -8.388 475 HE2 LYS 62 HE2 LYS 62 -17.068 -1.813 -8.342 476 HE3 LYS 62 HE1 LYS 62 -17.542 -3.046 -9.511 477 HZ1 LYS 62 HZ1 LYS 62 -16.262 -3.736 -6.935 478 HZ2 LYS 62 HZ2 LYS 62 -17.136 -4.749 -7.983 479 HZ3 LYS 62 HZ3 LYS 62 -17.942 -3.557 -7.079 480 H HIS 63 HN HIS 63 -11.072 -4.085 -12.043 481 HA HIS 63 HA HIS 63 -10.258 -2.396 -13.972 482 HB2 HIS 63 HB2 HIS 63 -8.787 -4.095 -14.835 483 HB3 HIS 63 HB1 HIS 63 -8.855 -4.228 -13.088 484 HD1 HIS 63 HD1 HIS 63 -10.095 -5.885 -16.241 485 HD2 HIS 63 HD2 HIS 63 -9.989 -6.673 -12.149 486 HE1 HIS 63 HE1 HIS 63 -10.826 -8.292 -15.954 487 HE2 HIS 63 HE2 HIS 63 -10.767 -8.784 -13.466 488 H SER 64 HN SER 64 -10.004 -2.451 -16.124 489 HA SER 64 HA SER 64 -11.265 -4.006 -18.062 490 HB2 SER 64 HB2 SER 64 -13.376 -3.061 -17.149 491 HB3 SER 64 HB1 SER 64 -12.732 -1.437 -17.379 492 HG SER 64 HG SER 64 -13.719 -3.256 -19.221 493 H GLY 65 HN GLY 65 -8.954 -3.532 -18.444 494 HA2 GLY 65 HA2 GLY 65 -7.453 -2.499 -19.919 495 HA3 GLY 65 HA1 GLY 65 -8.625 -1.197 -20.160 496 H GLU 66 HN GLU 66 -8.276 -1.971 -16.881 497 HA GLU 66 HA GLU 66 -6.115 -0.051 -16.376 498 HB2 GLU 66 HB2 GLU 66 -7.494 1.166 -14.744 499 HB3 GLU 66 HB1 GLU 66 -8.199 1.268 -16.359 500 HG2 GLU 66 HG2 GLU 66 -9.741 -0.569 -15.815 501 HG3 GLU 66 HG1 GLU 66 -9.040 -0.697 -14.203 502 H THR 67 HN THR 67 -5.665 0.010 -13.920 503 HA THR 67 HA THR 67 -6.336 -2.484 -12.533 504 HB THR 67 HB THR 67 -4.276 -2.906 -13.933 505 HG1 THR 67 HG1 THR 67 -3.095 -3.689 -12.041 506 HG21 THR 67 HG21 THR 67 -2.969 -1.027 -11.952 507 HG22 THR 67 HG22 THR 67 -3.386 -0.561 -13.601 508 HG23 THR 67 HG23 THR 67 -2.207 -1.842 -13.319 509 H GLN 68 HN GLN 68 -4.489 -2.317 -10.473 510 HA GLN 68 HA GLN 68 -5.302 0.195 -9.160 511 HB2 GLN 68 HB2 GLN 68 -4.668 -0.956 -7.049 512 HB3 GLN 68 HB1 GLN 68 -5.972 -1.762 -7.900 513 HG2 GLN 68 HG2 GLN 68 -4.633 -3.533 -8.538 514 HG3 GLN 68 HG1 GLN 68 -3.164 -2.599 -8.474 515 HE21 GLN 68 HE21 GLN 68 -5.269 -2.270 -5.702 516 HE22 GLN 68 HE22 GLN 68 -4.342 -3.235 -4.668 517 H THR 69 HN THR 69 -3.812 1.248 -7.844 518 HA THR 69 HA THR 69 -1.398 1.906 -8.993 519 HB THR 69 HB THR 69 -2.194 2.212 -6.098 520 HG1 THR 69 HG1 THR 69 -2.704 4.356 -6.958 521 HG21 THR 69 HG21 THR 69 -0.594 4.143 -6.205 522 HG22 THR 69 HG22 THR 69 -0.073 3.560 -7.786 523 HG23 THR 69 HG23 THR 69 0.186 2.568 -6.350 524 H VAL 70 HN VAL 70 -1.939 -0.585 -6.451 525 HA VAL 70 HA VAL 70 0.983 -0.983 -6.420 526 HB VAL 70 HB VAL 70 0.077 -0.552 -4.251 527 HG11 VAL 70 HG11 VAL 70 -1.627 -2.164 -3.271 528 HG12 VAL 70 HG12 VAL 70 -1.966 -2.651 -4.937 529 HG13 VAL 70 HG13 VAL 70 -2.229 -0.978 -4.432 530 HG21 VAL 70 HG21 VAL 70 1.765 -2.193 -4.172 531 HG22 VAL 70 HG22 VAL 70 0.665 -3.446 -4.713 532 HG23 VAL 70 HG23 VAL 70 0.490 -2.775 -3.101 533 H ALA 71 HN ALA 71 1.860 -3.239 -6.724 534 HA ALA 71 HA ALA 71 0.238 -4.536 -8.762 535 HB1 ALA 71 HB1 ALA 71 3.000 -5.218 -7.755 536 HB2 ALA 71 HB2 ALA 71 2.639 -4.137 -9.099 537 HB3 ALA 71 HB3 ALA 71 2.237 -5.850 -9.214 538 H ASN 72 HN ASN 72 -1.456 -5.314 -7.207 539 HA ASN 72 HA ASN 72 -1.142 -7.154 -5.188 540 HB2 ASN 72 HB2 ASN 72 -3.335 -8.077 -5.822 541 HB3 ASN 72 HB1 ASN 72 -3.336 -6.319 -5.828 542 HD21 ASN 72 HD21 ASN 72 -5.255 -6.635 -7.346 543 HD22 ASN 72 HD22 ASN 72 -4.928 -6.891 -9.001 Start of MODEL 5 1 H1 ASN 1 HT1 ASN 1 -34.152 10.117 -6.027 2 H2 ASN 1 HT2 ASN 1 -32.907 9.009 -6.358 3 H3 ASN 1 HT3 ASN 1 -34.000 8.710 -5.092 4 HA ASN 1 HA ASN 1 -35.817 8.654 -6.789 5 HB2 ASN 1 HB2 ASN 1 -34.221 9.832 -8.467 6 HB3 ASN 1 HB1 ASN 1 -33.568 8.219 -8.746 7 HD21 ASN 1 HD21 ASN 1 -34.442 7.911 -10.868 8 HD22 ASN 1 HD22 ASN 1 -36.121 7.821 -11.162 9 H LEU 2 HN LEU 2 -36.586 6.594 -7.031 10 HA LEU 2 HA LEU 2 -36.696 4.320 -6.721 11 HB2 LEU 2 HB2 LEU 2 -33.890 4.425 -7.860 12 HB3 LEU 2 HB1 LEU 2 -34.920 2.998 -7.774 13 HG LEU 2 HG LEU 2 -35.589 5.534 -9.298 14 HD11 LEU 2 HD11 LEU 2 -34.753 2.797 -10.308 15 HD12 LEU 2 HD12 LEU 2 -33.717 4.224 -10.290 16 HD13 LEU 2 HD13 LEU 2 -35.160 4.195 -11.304 17 HD21 LEU 2 HD21 LEU 2 -37.358 3.981 -10.283 18 HD22 LEU 2 HD22 LEU 2 -37.620 4.454 -8.606 19 HD23 LEU 2 HD23 LEU 2 -36.973 2.857 -8.981 20 H THR 3 HN THR 3 -35.822 5.919 -4.489 21 HA THR 3 HA THR 3 -33.601 4.711 -3.178 22 HB THR 3 HB THR 3 -34.464 5.843 -1.162 23 HG1 THR 3 HG1 THR 3 -36.638 5.618 -1.383 24 HG21 THR 3 HG21 THR 3 -33.160 7.172 -2.715 25 HG22 THR 3 HG22 THR 3 -34.495 8.161 -2.121 26 HG23 THR 3 HG23 THR 3 -34.577 7.443 -3.730 27 H LYS 4 HN LYS 4 -37.017 3.965 -3.378 28 HA LYS 4 HA LYS 4 -37.202 2.199 -1.180 29 HB2 LYS 4 HB2 LYS 4 -38.731 2.345 -3.787 30 HB3 LYS 4 HB1 LYS 4 -39.151 1.244 -2.474 31 HG2 LYS 4 HG2 LYS 4 -39.400 3.156 -0.939 32 HG3 LYS 4 HG1 LYS 4 -38.975 4.263 -2.245 33 HD2 LYS 4 HD2 LYS 4 -40.934 3.501 -3.535 34 HD3 LYS 4 HD1 LYS 4 -41.363 2.393 -2.232 35 HE2 LYS 4 HE2 LYS 4 -41.611 4.296 -0.684 36 HE3 LYS 4 HE1 LYS 4 -41.173 5.410 -1.980 37 HZ1 LYS 4 HZ1 LYS 4 -43.584 5.212 -1.671 38 HZ2 LYS 4 HZ2 LYS 4 -43.494 3.558 -2.050 39 HZ3 LYS 4 HZ3 LYS 4 -43.095 4.725 -3.220 40 H GLN 5 HN GLN 5 -36.272 1.734 -4.554 41 HA GLN 5 HA GLN 5 -35.807 -1.121 -4.158 42 HB2 GLN 5 HB2 GLN 5 -36.762 -0.196 -6.302 43 HB3 GLN 5 HB1 GLN 5 -35.201 0.581 -6.576 44 HG2 GLN 5 HG2 GLN 5 -34.070 -1.553 -6.604 45 HG3 GLN 5 HG1 GLN 5 -35.551 -2.394 -6.157 46 HE21 GLN 5 HE21 GLN 5 -35.558 -3.652 -8.160 47 HE22 GLN 5 HE22 GLN 5 -35.928 -2.929 -9.650 48 H LYS 6 HN LYS 6 -33.820 -2.028 -3.869 49 HA LYS 6 HA LYS 6 -31.605 -2.214 -3.443 50 HB2 LYS 6 HB2 LYS 6 -31.456 0.206 -5.248 51 HB3 LYS 6 HB1 LYS 6 -30.035 -0.554 -4.548 52 HG2 LYS 6 HG2 LYS 6 -30.651 -2.696 -5.588 53 HG3 LYS 6 HG1 LYS 6 -32.082 -1.947 -6.291 54 HD2 LYS 6 HD2 LYS 6 -30.686 -0.399 -7.571 55 HD3 LYS 6 HD1 LYS 6 -29.233 -1.062 -6.823 56 HE2 LYS 6 HE2 LYS 6 -29.555 -2.053 -9.042 57 HE3 LYS 6 HE1 LYS 6 -29.769 -3.283 -7.796 58 HZ1 LYS 6 HZ1 LYS 6 -31.993 -3.404 -8.159 59 HZ2 LYS 6 HZ2 LYS 6 -31.505 -2.959 -9.724 60 HZ3 LYS 6 HZ3 LYS 6 -32.129 -1.789 -8.661 61 H ASP 7 HN ASP 7 -29.654 -0.420 -2.703 62 HA ASP 7 HA ASP 7 -30.946 1.272 -0.676 63 HB2 ASP 7 HB2 ASP 7 -30.486 -0.935 0.308 64 HB3 ASP 7 HB1 ASP 7 -28.777 -0.748 -0.098 65 H ALA 8 HN ALA 8 -30.231 3.236 -1.113 66 HA ALA 8 HA ALA 8 -27.828 3.860 -2.463 67 HB1 ALA 8 HB1 ALA 8 -28.309 6.178 -1.832 68 HB2 ALA 8 HB2 ALA 8 -29.510 5.624 -0.665 69 HB3 ALA 8 HB3 ALA 8 -29.775 5.374 -2.390 70 H VAL 9 HN VAL 9 -25.899 4.773 -1.700 71 HA VAL 9 HA VAL 9 -25.373 4.416 1.187 72 HB VAL 9 HB VAL 9 -23.118 3.597 0.606 73 HG11 VAL 9 HG11 VAL 9 -24.801 1.921 1.022 74 HG12 VAL 9 HG12 VAL 9 -23.877 1.395 -0.384 75 HG13 VAL 9 HG13 VAL 9 -25.472 2.117 -0.597 76 HG21 VAL 9 HG21 VAL 9 -22.922 4.708 -1.591 77 HG22 VAL 9 HG22 VAL 9 -24.194 3.669 -2.233 78 HG23 VAL 9 HG23 VAL 9 -22.649 2.972 -1.744 79 H SER 10 HN SER 10 -23.520 5.658 1.973 80 HA SER 10 HA SER 10 -22.716 7.953 0.343 81 HB2 SER 10 HB2 SER 10 -23.391 9.571 2.030 82 HB3 SER 10 HB1 SER 10 -24.797 8.643 1.519 83 HG SER 10 HG SER 10 -23.193 8.138 3.812 84 H ASP 11 HN ASP 11 -20.996 9.232 1.442 85 HA ASP 11 HA ASP 11 -18.919 9.308 2.429 86 HB2 ASP 11 HB2 ASP 11 -20.400 9.164 4.481 87 HB3 ASP 11 HB1 ASP 11 -20.086 7.429 4.491 88 H THR 12 HN THR 12 -19.126 7.598 0.341 89 HA THR 12 HA THR 12 -18.369 4.923 0.796 90 HB THR 12 HB THR 12 -17.813 6.710 -1.587 91 HG1 THR 12 HG1 THR 12 -20.025 6.431 -0.949 92 HG21 THR 12 HG21 THR 12 -16.572 4.929 -2.260 93 HG22 THR 12 HG22 THR 12 -18.131 4.166 -2.548 94 HG23 THR 12 HG23 THR 12 -17.261 3.847 -1.048 95 H GLY 13 HN GLY 13 -16.470 3.973 1.218 96 HA2 GLY 13 HA2 GLY 13 -14.164 5.667 1.803 97 HA3 GLY 13 HA1 GLY 13 -14.342 3.988 2.222 98 H THR 14 HN THR 14 -15.159 4.600 -1.002 99 HA THR 14 HA THR 14 -13.076 2.989 -1.989 100 HB THR 14 HB THR 14 -14.672 5.130 -3.435 101 HG1 THR 14 HG1 THR 14 -15.055 2.327 -3.367 102 HG21 THR 14 HG21 THR 14 -12.561 4.400 -4.573 103 HG22 THR 14 HG22 THR 14 -14.018 3.975 -5.468 104 HG23 THR 14 HG23 THR 14 -13.165 2.745 -4.538 105 H ALA 15 HN ALA 15 -13.536 6.427 -1.531 106 HA ALA 15 HA ALA 15 -11.039 7.204 -2.665 107 HB1 ALA 15 HB1 ALA 15 -11.489 9.393 -1.830 108 HB2 ALA 15 HB2 ALA 15 -12.592 8.764 -0.604 109 HB3 ALA 15 HB3 ALA 15 -13.051 8.725 -2.306 110 H ALA 16 HN ALA 16 -12.137 6.457 0.562 111 HA ALA 16 HA ALA 16 -9.819 7.222 1.926 112 HB1 ALA 16 HB1 ALA 16 -12.125 6.571 2.873 113 HB2 ALA 16 HB2 ALA 16 -10.699 6.087 3.789 114 HB3 ALA 16 HB3 ALA 16 -11.540 4.910 2.781 115 H VAL 17 HN VAL 17 -10.708 4.198 0.368 116 HA VAL 17 HA VAL 17 -8.428 2.796 1.370 117 HB VAL 17 HB VAL 17 -10.339 1.542 0.558 118 HG11 VAL 17 HG11 VAL 17 -9.577 2.814 -2.065 119 HG12 VAL 17 HG12 VAL 17 -11.163 2.668 -1.318 120 HG13 VAL 17 HG13 VAL 17 -10.402 1.255 -2.035 121 HG21 VAL 17 HG21 VAL 17 -7.757 1.060 -0.961 122 HG22 VAL 17 HG22 VAL 17 -9.038 -0.120 -0.760 123 HG23 VAL 17 HG23 VAL 17 -8.152 0.454 0.647 124 H VAL 18 HN VAL 18 -8.889 4.920 -1.318 125 HA VAL 18 HA VAL 18 -6.613 4.169 -2.808 126 HB VAL 18 HB VAL 18 -8.002 6.836 -2.515 127 HG11 VAL 18 HG11 VAL 18 -5.814 5.980 -4.430 128 HG12 VAL 18 HG12 VAL 18 -5.688 7.234 -3.195 129 HG13 VAL 18 HG13 VAL 18 -6.755 7.464 -4.581 130 HG21 VAL 18 HG21 VAL 18 -9.182 4.825 -3.576 131 HG22 VAL 18 HG22 VAL 18 -7.962 4.901 -4.846 132 HG23 VAL 18 HG23 VAL 18 -9.055 6.262 -4.591 133 H LYS 19 HN LYS 19 -7.112 6.458 -0.207 134 HA LYS 19 HA LYS 19 -4.480 7.435 -0.021 135 HB2 LYS 19 HB2 LYS 19 -6.397 8.626 0.894 136 HB3 LYS 19 HB1 LYS 19 -6.644 7.342 2.081 137 HG2 LYS 19 HG2 LYS 19 -4.497 7.792 3.107 138 HG3 LYS 19 HG1 LYS 19 -4.081 8.939 1.834 139 HD2 LYS 19 HD2 LYS 19 -4.815 10.203 3.763 140 HD3 LYS 19 HD1 LYS 19 -6.071 10.318 2.530 141 HE2 LYS 19 HE2 LYS 19 -7.359 8.554 3.636 142 HE3 LYS 19 HE1 LYS 19 -6.086 8.351 4.838 143 HZ1 LYS 19 HZ1 LYS 19 -8.173 9.913 5.225 144 HZ2 LYS 19 HZ2 LYS 19 -7.148 11.045 4.480 145 HZ3 LYS 19 HZ3 LYS 19 -6.654 10.249 5.897 146 H VAL 20 HN VAL 20 -5.978 4.630 1.760 147 HA VAL 20 HA VAL 20 -3.714 4.458 3.512 148 HB VAL 20 HB VAL 20 -4.757 2.362 4.253 149 HG11 VAL 20 HG11 VAL 20 -6.887 3.500 5.034 150 HG12 VAL 20 HG12 VAL 20 -6.465 4.849 3.981 151 HG13 VAL 20 HG13 VAL 20 -5.405 4.412 5.322 152 HG21 VAL 20 HG21 VAL 20 -5.958 1.286 2.594 153 HG22 VAL 20 HG22 VAL 20 -6.369 2.782 1.773 154 HG23 VAL 20 HG23 VAL 20 -7.280 2.290 3.179 155 H VAL 21 HN VAL 21 -4.807 2.373 0.826 156 HA VAL 21 HA VAL 21 -2.667 0.568 1.035 157 HB VAL 21 HB VAL 21 -4.450 1.291 -1.244 158 HG11 VAL 21 HG11 VAL 21 -2.724 0.246 -2.402 159 HG12 VAL 21 HG12 VAL 21 -3.734 -1.143 -1.978 160 HG13 VAL 21 HG13 VAL 21 -2.268 -0.773 -1.031 161 HG21 VAL 21 HG21 VAL 21 -5.797 0.351 0.425 162 HG22 VAL 21 HG22 VAL 21 -4.524 -0.731 0.982 163 HG23 VAL 21 HG23 VAL 21 -5.363 -1.064 -0.526 164 H GLU 22 HN GLU 22 -3.061 3.432 -1.069 165 HA GLU 22 HA GLU 22 -0.668 3.098 -2.489 166 HB2 GLU 22 HB2 GLU 22 -2.392 5.501 -1.944 167 HB3 GLU 22 HB1 GLU 22 -0.965 5.567 -2.973 168 HG2 GLU 22 HG2 GLU 22 -1.872 3.901 -4.466 169 HG3 GLU 22 HG1 GLU 22 -3.228 3.594 -3.377 170 H SER 23 HN SER 23 -1.331 4.882 0.573 171 HA SER 23 HA SER 23 1.247 6.104 0.672 172 HB2 SER 23 HB2 SER 23 -0.628 6.952 2.001 173 HB3 SER 23 HB1 SER 23 -0.704 5.437 2.892 174 HG SER 23 HG SER 23 0.589 7.376 3.718 175 H GLN 24 HN GLN 24 -0.138 3.196 2.129 176 HA GLN 24 HA GLN 24 2.224 2.339 3.435 177 HB2 GLN 24 HB2 GLN 24 -0.367 1.028 2.669 178 HB3 GLN 24 HB1 GLN 24 0.964 0.060 3.303 179 HG2 GLN 24 HG2 GLN 24 -0.385 0.686 5.183 180 HG3 GLN 24 HG1 GLN 24 1.077 1.669 5.258 181 HE21 GLN 24 HE21 GLN 24 -2.342 1.797 5.281 182 HE22 GLN 24 HE22 GLN 24 -2.511 3.469 5.057 183 H ALA 25 HN ALA 25 0.853 1.769 0.272 184 HA ALA 25 HA ALA 25 2.418 -0.315 -0.645 185 HB1 ALA 25 HB1 ALA 25 0.934 0.116 -2.308 186 HB2 ALA 25 HB2 ALA 25 2.115 1.291 -2.879 187 HB3 ALA 25 HB3 ALA 25 0.797 1.809 -1.849 188 H GLU 26 HN GLU 26 2.909 3.146 -0.724 189 HA GLU 26 HA GLU 26 5.370 3.223 -2.089 190 HB2 GLU 26 HB2 GLU 26 3.978 5.229 -1.735 191 HB3 GLU 26 HB1 GLU 26 4.315 5.152 -0.005 192 HG2 GLU 26 HG2 GLU 26 6.710 5.434 -0.430 193 HG3 GLU 26 HG1 GLU 26 6.417 5.445 -2.168 194 H LEU 27 HN LEU 27 4.558 3.066 1.364 195 HA LEU 27 HA LEU 27 7.222 3.171 2.280 196 HB2 LEU 27 HB2 LEU 27 5.309 3.624 3.749 197 HB3 LEU 27 HB1 LEU 27 4.812 1.935 3.621 198 HG LEU 27 HG LEU 27 7.051 1.261 4.524 199 HD11 LEU 27 HD11 LEU 27 8.444 3.101 3.985 200 HD12 LEU 27 HD12 LEU 27 8.294 3.143 5.741 201 HD13 LEU 27 HD13 LEU 27 7.352 4.257 4.751 202 HD21 LEU 27 HD21 LEU 27 5.289 3.094 6.179 203 HD22 LEU 27 HD22 LEU 27 6.586 2.124 6.879 204 HD23 LEU 27 HD23 LEU 27 5.221 1.334 6.087 205 H TYR 28 HN TYR 28 5.202 0.467 1.307 206 HA TYR 28 HA TYR 28 6.957 -1.550 2.324 207 HB2 TYR 28 HB2 TYR 28 4.592 -2.054 1.953 208 HB3 TYR 28 HB1 TYR 28 4.777 -1.804 0.227 209 HD1 TYR 28 HD1 TYR 28 5.846 -3.890 3.101 210 HD2 TYR 28 HD2 TYR 28 5.733 -3.499 -1.174 211 HE1 TYR 28 HE1 TYR 28 6.592 -6.244 2.867 212 HE2 TYR 28 HE2 TYR 28 6.481 -5.853 -1.408 213 HH TYR 28 HH TYR 28 6.326 -8.074 0.974 214 H GLU 29 HN GLU 29 6.437 0.178 -0.657 215 HA GLU 29 HA GLU 29 8.372 -1.177 -2.215 216 HB2 GLU 29 HB2 GLU 29 7.261 1.631 -2.332 217 HB3 GLU 29 HB1 GLU 29 8.395 0.984 -3.527 218 HG2 GLU 29 HG2 GLU 29 6.914 -0.768 -4.129 219 HG3 GLU 29 HG1 GLU 29 5.880 -0.450 -2.742 220 H LEU 30 HN LEU 30 8.528 1.507 0.128 221 HA LEU 30 HA LEU 30 11.276 2.073 -0.399 222 HB2 LEU 30 HB2 LEU 30 9.865 3.619 0.920 223 HB3 LEU 30 HB1 LEU 30 9.690 2.389 2.175 224 HG LEU 30 HG LEU 30 12.143 2.404 2.522 225 HD11 LEU 30 HD11 LEU 30 13.393 4.364 1.470 226 HD12 LEU 30 HD12 LEU 30 12.020 4.536 0.376 227 HD13 LEU 30 HD13 LEU 30 12.971 3.051 0.370 228 HD21 LEU 30 HD21 LEU 30 12.267 4.786 3.424 229 HD22 LEU 30 HD22 LEU 30 10.879 3.843 3.966 230 HD23 LEU 30 HD23 LEU 30 10.681 5.051 2.697 231 H LYS 31 HN LYS 31 9.526 -0.015 1.822 232 HA LYS 31 HA LYS 31 11.615 -1.146 3.257 233 HB2 LYS 31 HB2 LYS 31 9.264 -1.542 3.804 234 HB3 LYS 31 HB1 LYS 31 9.086 -2.545 2.373 235 HG2 LYS 31 HG2 LYS 31 10.844 -4.068 3.217 236 HG3 LYS 31 HG1 LYS 31 10.979 -3.082 4.671 237 HD2 LYS 31 HD2 LYS 31 8.422 -4.442 3.771 238 HD3 LYS 31 HD1 LYS 31 9.529 -5.111 4.967 239 HE2 LYS 31 HE2 LYS 31 8.100 -2.443 5.202 240 HE3 LYS 31 HE1 LYS 31 7.662 -3.920 6.054 241 HZ1 LYS 31 HZ1 LYS 31 9.953 -2.153 6.466 242 HZ2 LYS 31 HZ2 LYS 31 10.173 -3.813 6.747 243 HZ3 LYS 31 HZ3 LYS 31 8.984 -2.954 7.604 244 H ASN 32 HN ASN 32 10.241 -2.293 0.155 245 HA ASN 32 HA ASN 32 12.604 -4.099 -0.050 246 HB2 ASN 32 HB2 ASN 32 9.876 -4.241 -1.308 247 HB3 ASN 32 HB1 ASN 32 11.219 -5.260 -1.825 248 HD21 ASN 32 HD21 ASN 32 8.857 -6.366 -0.614 249 HD22 ASN 32 HD22 ASN 32 9.297 -7.021 0.889 250 H THR 33 HN THR 33 10.561 -2.199 -2.260 251 HA THR 33 HA THR 33 11.118 -0.782 -3.979 252 HB THR 33 HB THR 33 14.026 -1.426 -3.871 253 HG1 THR 33 HG1 THR 33 14.066 -0.928 -1.847 254 HG21 THR 33 HG21 THR 33 13.156 0.183 -5.505 255 HG22 THR 33 HG22 THR 33 14.155 1.008 -4.309 256 HG23 THR 33 HG23 THR 33 12.398 1.108 -4.208 257 H ASN 34 HN ASN 34 12.863 -3.889 -3.912 258 HA ASN 34 HA ASN 34 13.205 -4.122 -6.700 259 HB2 ASN 34 HB2 ASN 34 14.309 -5.562 -4.962 260 HB3 ASN 34 HB1 ASN 34 12.778 -6.402 -4.762 261 HD21 ASN 34 HD21 ASN 34 13.504 -8.429 -5.666 262 HD22 ASN 34 HD22 ASN 34 13.921 -8.591 -7.304 263 H GLU 35 HN GLU 35 10.534 -4.975 -4.566 264 HA GLU 35 HA GLU 35 8.868 -5.533 -6.961 265 HB2 GLU 35 HB2 GLU 35 7.379 -6.818 -5.438 266 HB3 GLU 35 HB1 GLU 35 8.988 -7.544 -5.597 267 HG2 GLU 35 HG2 GLU 35 8.617 -5.563 -3.399 268 HG3 GLU 35 HG1 GLU 35 7.789 -7.105 -3.211 269 H LYS 36 HN LYS 36 6.536 -4.949 -6.718 270 HA LYS 36 HA LYS 36 6.335 -2.472 -5.174 271 HB2 LYS 36 HB2 LYS 36 4.634 -3.587 -7.412 272 HB3 LYS 36 HB1 LYS 36 4.280 -2.108 -6.517 273 HG2 LYS 36 HG2 LYS 36 6.439 -1.151 -7.240 274 HG3 LYS 36 HG1 LYS 36 6.799 -2.634 -8.126 275 HD2 LYS 36 HD2 LYS 36 4.804 -2.282 -9.533 276 HD3 LYS 36 HD1 LYS 36 4.443 -0.799 -8.651 277 HE2 LYS 36 HE2 LYS 36 6.597 0.160 -9.367 278 HE3 LYS 36 HE1 LYS 36 6.969 -1.323 -10.244 279 HZ1 LYS 36 HZ1 LYS 36 4.914 0.706 -10.826 280 HZ2 LYS 36 HZ2 LYS 36 4.726 -0.886 -11.389 281 HZ3 LYS 36 HZ3 LYS 36 6.074 0.034 -11.864 282 H ALA 37 HN ALA 37 4.972 -2.324 -3.554 283 HA ALA 37 HA ALA 37 4.095 -4.482 -2.129 284 HB1 ALA 37 HB1 ALA 37 2.310 -2.128 -1.974 285 HB2 ALA 37 HB2 ALA 37 4.022 -1.799 -1.720 286 HB3 ALA 37 HB3 ALA 37 3.189 -2.963 -0.692 287 H SER 38 HN SER 38 1.842 -5.285 -1.728 288 HA SER 38 HA SER 38 0.030 -4.859 -3.964 289 HB2 SER 38 HB2 SER 38 -0.206 -7.184 -4.481 290 HB3 SER 38 HB1 SER 38 1.502 -6.774 -4.624 291 HG SER 38 HG SER 38 1.449 -8.586 -3.401 292 H LEU 39 HN LEU 39 -2.032 -6.081 -3.496 293 HA LEU 39 HA LEU 39 -2.886 -5.313 -0.899 294 HB2 LEU 39 HB2 LEU 39 -4.201 -7.193 -2.877 295 HB3 LEU 39 HB1 LEU 39 -4.935 -6.734 -1.336 296 HG LEU 39 HG LEU 39 -4.061 -4.772 -3.476 297 HD11 LEU 39 HD11 LEU 39 -5.952 -6.224 -4.185 298 HD12 LEU 39 HD12 LEU 39 -6.427 -4.536 -4.013 299 HD13 LEU 39 HD13 LEU 39 -6.853 -5.705 -2.768 300 HD21 LEU 39 HD21 LEU 39 -6.012 -3.678 -1.682 301 HD22 LEU 39 HD22 LEU 39 -4.336 -3.192 -1.891 302 HD23 LEU 39 HD23 LEU 39 -4.752 -4.412 -0.694 303 H SER 40 HN SER 40 -1.805 -8.387 -2.244 304 HA SER 40 HA SER 40 -2.308 -9.933 0.074 305 HB2 SER 40 HB2 SER 40 -0.305 -10.288 -2.158 306 HB3 SER 40 HB1 SER 40 -0.616 -11.491 -0.909 307 HG SER 40 HG SER 40 -1.937 -11.962 -2.626 308 H LYS 41 HN LYS 41 0.553 -8.055 -0.948 309 HA LYS 41 HA LYS 41 2.206 -8.962 1.191 310 HB2 LYS 41 HB2 LYS 41 2.443 -6.659 -0.706 311 HB3 LYS 41 HB1 LYS 41 3.701 -7.102 0.431 312 HG2 LYS 41 HG2 LYS 41 3.813 -9.350 -0.565 313 HG3 LYS 41 HG1 LYS 41 2.541 -8.915 -1.702 314 HD2 LYS 41 HD2 LYS 41 3.977 -7.106 -2.599 315 HD3 LYS 41 HD1 LYS 41 5.257 -7.587 -1.483 316 HE2 LYS 41 HE2 LYS 41 5.307 -9.832 -2.503 317 HE3 LYS 41 HE1 LYS 41 4.024 -9.346 -3.611 318 HZ1 LYS 41 HZ1 LYS 41 5.712 -8.781 -4.940 319 HZ2 LYS 41 HZ2 LYS 41 6.844 -8.735 -3.674 320 HZ3 LYS 41 HZ3 LYS 41 5.839 -7.396 -3.968 321 H LEU 42 HN LEU 42 0.804 -5.772 0.624 322 HA LEU 42 HA LEU 42 1.683 -4.565 2.925 323 HB2 LEU 42 HB2 LEU 42 -0.873 -4.062 1.385 324 HB3 LEU 42 HB1 LEU 42 -0.301 -3.034 2.697 325 HG LEU 42 HG LEU 42 1.273 -3.632 0.179 326 HD11 LEU 42 HD11 LEU 42 0.628 -1.355 -0.482 327 HD12 LEU 42 HD12 LEU 42 -0.294 -1.173 1.015 328 HD13 LEU 42 HD13 LEU 42 -0.818 -2.328 -0.214 329 HD21 LEU 42 HD21 LEU 42 1.659 -1.782 2.551 330 HD22 LEU 42 HD22 LEU 42 2.530 -1.577 1.032 331 HD23 LEU 42 HD23 LEU 42 2.752 -3.045 1.982 332 H VAL 43 HN VAL 43 -1.062 -6.557 2.244 333 HA VAL 43 HA VAL 43 -2.209 -6.032 4.754 334 HB VAL 43 HB VAL 43 -3.190 -6.619 2.479 335 HG11 VAL 43 HG11 VAL 43 -3.975 -8.907 2.288 336 HG12 VAL 43 HG12 VAL 43 -3.229 -9.313 3.835 337 HG13 VAL 43 HG13 VAL 43 -2.216 -8.910 2.448 338 HG21 VAL 43 HG21 VAL 43 -4.263 -7.215 5.219 339 HG22 VAL 43 HG22 VAL 43 -5.278 -7.465 3.799 340 HG23 VAL 43 HG23 VAL 43 -4.641 -5.860 4.155 341 H SER 44 HN SER 44 -0.038 -8.518 3.456 342 HA SER 44 HA SER 44 -0.624 -10.319 5.529 343 HB2 SER 44 HB2 SER 44 0.727 -11.016 3.565 344 HB3 SER 44 HB1 SER 44 1.980 -9.869 4.032 345 HG SER 44 HG SER 44 2.582 -11.159 5.612 346 H SER 45 HN SER 45 1.629 -7.801 4.878 347 HA SER 45 HA SER 45 2.948 -7.349 7.314 348 HB2 SER 45 HB2 SER 45 2.174 -5.480 5.078 349 HB3 SER 45 HB1 SER 45 3.185 -5.001 6.439 350 HG SER 45 HG SER 45 4.566 -5.704 4.881 351 H GLY 46 HN GLY 46 -0.302 -7.295 6.887 352 HA2 GLY 46 HA2 GLY 46 -2.129 -6.174 7.566 353 HA3 GLY 46 HA1 GLY 46 -1.418 -6.529 9.130 354 H ASN 47 HN ASN 47 0.122 -4.231 6.925 355 HA ASN 47 HA ASN 47 0.024 -2.091 8.794 356 HB2 ASN 47 HB2 ASN 47 1.546 -2.320 6.715 357 HB3 ASN 47 HB1 ASN 47 0.149 -1.810 5.757 358 HD21 ASN 47 HD21 ASN 47 2.819 -0.401 6.500 359 HD22 ASN 47 HD22 ASN 47 2.316 1.113 7.077 360 H ILE 48 HN ILE 48 -1.738 -3.158 6.069 361 HA ILE 48 HA ILE 48 -4.118 -1.573 6.799 362 HB ILE 48 HB ILE 48 -4.742 -1.872 4.360 363 HG12 ILE 48 HG12 ILE 48 -1.810 -2.517 4.028 364 HG13 ILE 48 HG11 ILE 48 -3.041 -3.767 4.058 365 HG21 ILE 48 HG21 ILE 48 -3.923 0.265 5.083 366 HG22 ILE 48 HG22 ILE 48 -3.094 -0.128 3.578 367 HG23 ILE 48 HG23 ILE 48 -2.261 -0.326 5.119 368 HD11 ILE 48 HD11 ILE 48 -4.217 -2.402 2.208 369 HD12 ILE 48 HD12 ILE 48 -2.757 -3.278 1.756 370 HD13 ILE 48 HD13 ILE 48 -2.684 -1.541 2.054 371 H SER 49 HN SER 49 -5.953 -2.756 7.157 372 HA SER 49 HA SER 49 -5.625 -5.617 7.339 373 HB2 SER 49 HB2 SER 49 -7.811 -5.622 8.361 374 HB3 SER 49 HB1 SER 49 -6.896 -4.269 9.022 375 HG SER 49 HG SER 49 -9.037 -3.703 8.365 376 H GLN 50 HN GLN 50 -7.090 -7.118 6.385 377 HA GLN 50 HA GLN 50 -7.304 -7.020 3.613 378 HB2 GLN 50 HB2 GLN 50 -7.480 -9.010 5.232 379 HB3 GLN 50 HB1 GLN 50 -9.178 -8.564 5.320 380 HG2 GLN 50 HG2 GLN 50 -8.890 -10.269 3.611 381 HG3 GLN 50 HG1 GLN 50 -9.348 -8.758 2.856 382 HE21 GLN 50 HE21 GLN 50 -8.175 -8.588 0.919 383 HE22 GLN 50 HE22 GLN 50 -6.525 -8.932 0.760 384 H LYS 51 HN LYS 51 -9.166 -5.334 5.759 385 HA LYS 51 HA LYS 51 -11.654 -5.326 4.225 386 HB2 LYS 51 HB2 LYS 51 -12.622 -4.203 5.979 387 HB3 LYS 51 HB1 LYS 51 -11.235 -4.834 6.851 388 HG2 LYS 51 HG2 LYS 51 -10.018 -2.727 6.477 389 HG3 LYS 51 HG1 LYS 51 -11.404 -2.081 5.601 390 HD2 LYS 51 HD2 LYS 51 -11.564 -3.068 8.459 391 HD3 LYS 51 HD1 LYS 51 -11.247 -1.385 8.038 392 HE2 LYS 51 HE2 LYS 51 -13.372 -1.350 6.730 393 HE3 LYS 51 HE1 LYS 51 -13.703 -2.994 7.274 394 HZ1 LYS 51 HZ1 LYS 51 -13.745 -0.492 8.785 395 HZ2 LYS 51 HZ2 LYS 51 -13.259 -1.899 9.601 396 HZ3 LYS 51 HZ3 LYS 51 -14.790 -1.824 8.868 397 H GLN 52 HN GLN 52 -8.922 -3.420 5.041 398 HA GLN 52 HA GLN 52 -9.319 -1.294 3.197 399 HB2 GLN 52 HB2 GLN 52 -7.208 -2.213 5.034 400 HB3 GLN 52 HB1 GLN 52 -6.619 -1.393 3.605 401 HG2 GLN 52 HG2 GLN 52 -7.675 0.616 4.162 402 HG3 GLN 52 HG1 GLN 52 -8.896 -0.196 5.146 403 HE21 GLN 52 HE21 GLN 52 -6.133 1.710 5.417 404 HE22 GLN 52 HE22 GLN 52 -5.661 1.255 6.980 405 H ALA 53 HN ALA 53 -7.316 -4.323 3.145 406 HA ALA 53 HA ALA 53 -6.301 -3.831 0.561 407 HB1 ALA 53 HB1 ALA 53 -5.506 -6.051 0.583 408 HB2 ALA 53 HB2 ALA 53 -6.792 -6.582 1.663 409 HB3 ALA 53 HB3 ALA 53 -5.505 -5.543 2.270 410 H ASP 54 HN ASP 54 -9.142 -5.635 1.621 411 HA ASP 54 HA ASP 54 -9.902 -6.542 -0.968 412 HB2 ASP 54 HB2 ASP 54 -11.506 -6.014 1.515 413 HB3 ASP 54 HB1 ASP 54 -12.240 -6.643 0.044 414 H SER 55 HN SER 55 -10.256 -3.537 0.647 415 HA SER 55 HA SER 55 -12.300 -2.471 -1.007 416 HB2 SER 55 HB2 SER 55 -11.829 -1.460 1.144 417 HB3 SER 55 HB1 SER 55 -10.205 -1.043 0.631 418 HG SER 55 HG SER 55 -12.602 0.155 0.079 419 H TYR 56 HN TYR 56 -8.727 -2.544 -1.260 420 HA TYR 56 HA TYR 56 -8.772 -0.767 -3.534 421 HB2 TYR 56 HB2 TYR 56 -6.738 -1.570 -1.962 422 HB3 TYR 56 HB1 TYR 56 -6.441 -2.501 -3.446 423 HD1 TYR 56 HD1 TYR 56 -6.017 0.617 -1.940 424 HD2 TYR 56 HD2 TYR 56 -7.010 -1.163 -5.688 425 HE1 TYR 56 HE1 TYR 56 -5.410 2.724 -3.085 426 HE2 TYR 56 HE2 TYR 56 -6.422 0.947 -6.845 427 HH TYR 56 HH TYR 56 -4.585 3.197 -5.744 428 H LYS 57 HN LYS 57 -8.672 -4.258 -3.189 429 HA LYS 57 HA LYS 57 -8.388 -4.976 -5.915 430 HB2 LYS 57 HB2 LYS 57 -8.360 -6.566 -3.968 431 HB3 LYS 57 HB1 LYS 57 -10.092 -6.323 -3.803 432 HG2 LYS 57 HG2 LYS 57 -10.463 -7.160 -6.080 433 HG3 LYS 57 HG1 LYS 57 -8.721 -7.382 -6.291 434 HD2 LYS 57 HD2 LYS 57 -8.701 -8.998 -4.426 435 HD3 LYS 57 HD1 LYS 57 -10.438 -8.778 -4.214 436 HE2 LYS 57 HE2 LYS 57 -10.829 -9.599 -6.505 437 HE3 LYS 57 HE1 LYS 57 -9.092 -9.811 -6.728 438 HZ1 LYS 57 HZ1 LYS 57 -9.734 -11.897 -6.079 439 HZ2 LYS 57 HZ2 LYS 57 -10.951 -11.333 -5.037 440 HZ3 LYS 57 HZ3 LYS 57 -9.318 -11.223 -4.579 441 H ALA 58 HN ALA 58 -10.789 -3.745 -4.023 442 HA ALA 58 HA ALA 58 -13.124 -4.120 -5.709 443 HB1 ALA 58 HB1 ALA 58 -13.187 -1.788 -3.893 444 HB2 ALA 58 HB2 ALA 58 -12.836 -3.322 -3.098 445 HB3 ALA 58 HB3 ALA 58 -14.316 -3.135 -4.040 446 H TYR 59 HN TYR 59 -10.682 -1.548 -5.283 447 HA TYR 59 HA TYR 59 -11.849 0.326 -7.091 448 HB2 TYR 59 HB2 TYR 59 -10.184 1.000 -5.422 449 HB3 TYR 59 HB1 TYR 59 -8.984 -0.023 -6.205 450 HD1 TYR 59 HD1 TYR 59 -11.225 2.900 -6.758 451 HD2 TYR 59 HD2 TYR 59 -7.773 0.728 -8.103 452 HE1 TYR 59 HE1 TYR 59 -10.694 4.728 -8.347 453 HE2 TYR 59 HE2 TYR 59 -7.240 2.557 -9.691 454 HH TYR 59 HH TYR 59 -8.647 4.413 -10.892 455 H TYR 60 HN TYR 60 -9.390 -2.195 -7.370 456 HA TYR 60 HA TYR 60 -8.715 -1.807 -10.130 457 HB2 TYR 60 HB2 TYR 60 -7.210 -3.236 -9.079 458 HB3 TYR 60 HB1 TYR 60 -8.469 -4.050 -8.148 459 HD1 TYR 60 HD1 TYR 60 -7.897 -3.447 -11.831 460 HD2 TYR 60 HD2 TYR 60 -8.661 -6.279 -8.698 461 HE1 TYR 60 HE1 TYR 60 -7.991 -5.275 -13.505 462 HE2 TYR 60 HE2 TYR 60 -8.761 -8.103 -10.370 463 HH TYR 60 HH TYR 60 -7.814 -8.503 -12.712 464 H GLY 61 HN GLY 61 -10.894 -3.768 -8.358 465 HA2 GLY 61 HA2 GLY 61 -12.238 -5.229 -10.257 466 HA3 GLY 61 HA1 GLY 61 -12.906 -4.713 -8.726 467 H LYS 62 HN LYS 62 -12.929 -1.959 -9.075 468 HA LYS 62 HA LYS 62 -15.390 -1.553 -10.320 469 HB2 LYS 62 HB2 LYS 62 -14.485 -0.077 -8.592 470 HB3 LYS 62 HB1 LYS 62 -13.246 0.490 -9.711 471 HG2 LYS 62 HG2 LYS 62 -15.012 1.326 -11.234 472 HG3 LYS 62 HG1 LYS 62 -16.242 0.781 -10.094 473 HD2 LYS 62 HD2 LYS 62 -14.054 2.743 -9.362 474 HD3 LYS 62 HD1 LYS 62 -15.651 3.240 -9.923 475 HE2 LYS 62 HE2 LYS 62 -16.671 1.943 -8.050 476 HE3 LYS 62 HE1 LYS 62 -15.052 1.571 -7.462 477 HZ1 LYS 62 HZ1 LYS 62 -16.274 4.259 -7.731 478 HZ2 LYS 62 HZ2 LYS 62 -14.644 3.990 -7.341 479 HZ3 LYS 62 HZ3 LYS 62 -15.870 3.461 -6.290 480 H HIS 63 HN HIS 63 -12.122 -0.810 -11.602 481 HA HIS 63 HA HIS 63 -13.412 -0.364 -14.233 482 HB2 HIS 63 HB2 HIS 63 -10.808 0.740 -13.146 483 HB3 HIS 63 HB1 HIS 63 -11.389 0.961 -14.803 484 HD1 HIS 63 HD1 HIS 63 -12.259 1.860 -11.230 485 HD2 HIS 63 HD2 HIS 63 -13.392 2.901 -15.105 486 HE1 HIS 63 HE1 HIS 63 -13.759 3.891 -11.018 487 HE2 HIS 63 HE2 HIS 63 -14.458 4.536 -13.371 488 H SER 64 HN SER 64 -13.132 -1.959 -15.636 489 HA SER 64 HA SER 64 -11.319 -4.115 -15.306 490 HB2 SER 64 HB2 SER 64 -13.388 -4.246 -16.638 491 HB3 SER 64 HB1 SER 64 -12.700 -3.083 -17.774 492 HG SER 64 HG SER 64 -12.407 -5.257 -18.460 493 H GLY 65 HN GLY 65 -11.332 -1.361 -17.540 494 HA2 GLY 65 HA2 GLY 65 -8.899 -1.918 -18.846 495 HA3 GLY 65 HA1 GLY 65 -9.708 -0.352 -18.801 496 H GLU 66 HN GLU 66 -9.669 0.024 -16.024 497 HA GLU 66 HA GLU 66 -6.826 0.727 -15.699 498 HB2 GLU 66 HB2 GLU 66 -8.336 2.586 -15.480 499 HB3 GLU 66 HB1 GLU 66 -9.332 1.711 -14.327 500 HG2 GLU 66 HG2 GLU 66 -7.886 3.319 -13.172 501 HG3 GLU 66 HG1 GLU 66 -7.459 1.671 -12.725 502 H THR 67 HN THR 67 -5.551 -0.452 -14.428 503 HA THR 67 HA THR 67 -6.821 -1.979 -12.237 504 HB THR 67 HB THR 67 -5.160 -3.735 -12.671 505 HG1 THR 67 HG1 THR 67 -3.713 -3.517 -14.293 506 HG21 THR 67 HG21 THR 67 -7.411 -3.488 -13.977 507 HG22 THR 67 HG22 THR 67 -6.212 -4.644 -14.556 508 HG23 THR 67 HG23 THR 67 -6.366 -3.072 -15.337 509 H GLN 68 HN GLN 68 -5.821 -1.993 -10.259 510 HA GLN 68 HA GLN 68 -3.506 -0.199 -10.030 511 HB2 GLN 68 HB2 GLN 68 -5.856 0.371 -9.113 512 HB3 GLN 68 HB1 GLN 68 -5.376 -0.576 -7.749 513 HG2 GLN 68 HG2 GLN 68 -3.648 1.625 -8.876 514 HG3 GLN 68 HG1 GLN 68 -4.878 1.943 -7.658 515 HE21 GLN 68 HE21 GLN 68 -4.483 -0.613 -6.188 516 HE22 GLN 68 HE22 GLN 68 -2.917 -0.579 -5.518 517 H THR 69 HN THR 69 -4.772 -2.201 -7.373 518 HA THR 69 HA THR 69 -3.503 -3.227 -5.718 519 HB THR 69 HB THR 69 -2.431 -5.196 -7.611 520 HG1 THR 69 HG1 THR 69 -5.223 -4.769 -7.417 521 HG21 THR 69 HG21 THR 69 -2.842 -5.352 -5.069 522 HG22 THR 69 HG22 THR 69 -3.313 -6.721 -6.076 523 HG23 THR 69 HG23 THR 69 -4.528 -5.581 -5.516 524 H VAL 70 HN VAL 70 -2.042 -1.115 -6.894 525 HA VAL 70 HA VAL 70 -0.027 -0.127 -7.030 526 HB VAL 70 HB VAL 70 1.727 -1.910 -5.671 527 HG11 VAL 70 HG11 VAL 70 2.100 -0.027 -4.371 528 HG12 VAL 70 HG12 VAL 70 0.425 0.541 -4.468 529 HG13 VAL 70 HG13 VAL 70 1.511 0.689 -5.863 530 HG21 VAL 70 HG21 VAL 70 -0.981 -1.537 -4.373 531 HG22 VAL 70 HG22 VAL 70 0.487 -1.893 -3.457 532 HG23 VAL 70 HG23 VAL 70 -0.110 -3.040 -4.652 533 H ALA 71 HN ALA 71 1.192 -3.463 -6.859 534 HA ALA 71 HA ALA 71 2.786 -3.130 -9.122 535 HB1 ALA 71 HB1 ALA 71 2.963 -4.876 -7.227 536 HB2 ALA 71 HB2 ALA 71 3.360 -5.398 -8.864 537 HB3 ALA 71 HB3 ALA 71 1.791 -5.802 -8.165 538 H ASN 72 HN ASN 72 -0.642 -3.688 -8.796 539 HA ASN 72 HA ASN 72 -0.835 -5.027 -11.432 540 HB2 ASN 72 HB2 ASN 72 -2.307 -5.801 -9.687 541 HB3 ASN 72 HB1 ASN 72 -2.841 -4.179 -9.380 542 HD21 ASN 72 HD21 ASN 72 -5.053 -4.717 -9.665 543 HD22 ASN 72 HD22 ASN 72 -5.721 -5.029 -11.200 Start of MODEL 6 1 H1 ASN 1 HT1 ASN 1 -42.463 1.252 -0.484 2 H2 ASN 1 HT2 ASN 1 -41.485 0.913 -1.833 3 H3 ASN 1 HT3 ASN 1 -40.879 1.858 -0.556 4 HA ASN 1 HA ASN 1 -41.608 -0.393 0.731 5 HB2 ASN 1 HB2 ASN 1 -41.969 -1.291 -1.679 6 HB3 ASN 1 HB1 ASN 1 -40.210 -1.313 -1.774 7 HD21 ASN 1 HD21 ASN 1 -39.933 -3.610 -1.702 8 HD22 ASN 1 HD22 ASN 1 -40.370 -4.544 -0.341 9 H LEU 2 HN LEU 2 -40.161 0.488 2.174 10 HA LEU 2 HA LEU 2 -37.324 0.555 1.336 11 HB2 LEU 2 HB2 LEU 2 -38.679 2.045 3.602 12 HB3 LEU 2 HB1 LEU 2 -36.977 2.166 3.158 13 HG LEU 2 HG LEU 2 -39.302 2.876 1.340 14 HD11 LEU 2 HD11 LEU 2 -38.882 4.398 3.343 15 HD12 LEU 2 HD12 LEU 2 -38.767 5.174 1.763 16 HD13 LEU 2 HD13 LEU 2 -37.301 4.737 2.643 17 HD21 LEU 2 HD21 LEU 2 -36.290 3.035 1.051 18 HD22 LEU 2 HD22 LEU 2 -37.393 3.948 0.020 19 HD23 LEU 2 HD23 LEU 2 -37.432 2.185 0.008 20 H THR 3 HN THR 3 -35.868 -0.669 2.430 21 HA THR 3 HA THR 3 -36.795 -2.069 4.860 22 HB THR 3 HB THR 3 -35.714 -4.124 4.073 23 HG1 THR 3 HG1 THR 3 -34.733 -4.200 2.135 24 HG21 THR 3 HG21 THR 3 -37.339 -4.724 2.389 25 HG22 THR 3 HG22 THR 3 -37.573 -3.032 1.947 26 HG23 THR 3 HG23 THR 3 -38.118 -3.616 3.520 27 H LYS 4 HN LYS 4 -35.040 -2.881 6.211 28 HA LYS 4 HA LYS 4 -32.930 -0.954 6.473 29 HB2 LYS 4 HB2 LYS 4 -33.484 -3.562 7.908 30 HB3 LYS 4 HB1 LYS 4 -32.184 -2.451 8.339 31 HG2 LYS 4 HG2 LYS 4 -33.778 -0.675 8.796 32 HG3 LYS 4 HG1 LYS 4 -35.110 -1.669 8.210 33 HD2 LYS 4 HD2 LYS 4 -35.142 -1.775 10.619 34 HD3 LYS 4 HD1 LYS 4 -34.559 -3.331 10.031 35 HE2 LYS 4 HE2 LYS 4 -33.153 -2.595 11.881 36 HE3 LYS 4 HE1 LYS 4 -32.215 -2.546 10.392 37 HZ1 LYS 4 HZ1 LYS 4 -33.682 -0.163 11.318 38 HZ2 LYS 4 HZ2 LYS 4 -32.330 -0.255 10.292 39 HZ3 LYS 4 HZ3 LYS 4 -32.156 -0.532 11.960 40 H GLN 5 HN GLN 5 -30.739 -1.206 6.101 41 HA GLN 5 HA GLN 5 -29.951 -3.633 4.603 42 HB2 GLN 5 HB2 GLN 5 -30.175 -1.619 3.146 43 HB3 GLN 5 HB1 GLN 5 -28.945 -0.820 4.125 44 HG2 GLN 5 HG2 GLN 5 -27.912 -1.817 2.139 45 HG3 GLN 5 HG1 GLN 5 -27.355 -2.648 3.589 46 HE21 GLN 5 HE21 GLN 5 -27.270 -4.862 3.216 47 HE22 GLN 5 HE22 GLN 5 -28.401 -5.740 2.304 48 H LYS 6 HN LYS 6 -28.261 -4.704 5.405 49 HA LYS 6 HA LYS 6 -26.415 -3.272 7.218 50 HB2 LYS 6 HB2 LYS 6 -27.556 -6.054 7.572 51 HB3 LYS 6 HB1 LYS 6 -26.269 -5.363 8.560 52 HG2 LYS 6 HG2 LYS 6 -27.775 -3.528 9.240 53 HG3 LYS 6 HG1 LYS 6 -29.065 -4.227 8.261 54 HD2 LYS 6 HD2 LYS 6 -28.952 -6.301 9.614 55 HD3 LYS 6 HD1 LYS 6 -27.699 -5.567 10.614 56 HE2 LYS 6 HE2 LYS 6 -30.498 -4.458 10.249 57 HE3 LYS 6 HE1 LYS 6 -29.947 -5.371 11.654 58 HZ1 LYS 6 HZ1 LYS 6 -29.696 -3.147 12.252 59 HZ2 LYS 6 HZ2 LYS 6 -29.071 -2.701 10.737 60 HZ3 LYS 6 HZ3 LYS 6 -28.129 -3.624 11.810 61 H ASP 7 HN ASP 7 -24.253 -3.882 7.110 62 HA ASP 7 HA ASP 7 -23.544 -5.895 5.070 63 HB2 ASP 7 HB2 ASP 7 -23.386 -3.629 4.076 64 HB3 ASP 7 HB1 ASP 7 -22.264 -3.164 5.351 65 H ALA 8 HN ALA 8 -21.753 -3.639 7.169 66 HA ALA 8 HA ALA 8 -20.766 -5.835 8.805 67 HB1 ALA 8 HB1 ALA 8 -18.860 -4.146 7.167 68 HB2 ALA 8 HB2 ALA 8 -19.241 -5.839 6.855 69 HB3 ALA 8 HB3 ALA 8 -18.410 -5.382 8.342 70 H VAL 9 HN VAL 9 -19.531 -5.077 10.658 71 HA VAL 9 HA VAL 9 -20.661 -2.848 11.920 72 HB VAL 9 HB VAL 9 -19.479 -4.756 13.056 73 HG11 VAL 9 HG11 VAL 9 -16.974 -3.210 12.341 74 HG12 VAL 9 HG12 VAL 9 -17.494 -4.655 11.476 75 HG13 VAL 9 HG13 VAL 9 -17.076 -4.754 13.188 76 HG21 VAL 9 HG21 VAL 9 -18.335 -3.236 14.754 77 HG22 VAL 9 HG22 VAL 9 -20.010 -2.830 14.385 78 HG23 VAL 9 HG23 VAL 9 -18.699 -1.895 13.669 79 H SER 10 HN SER 10 -17.880 -3.153 9.835 80 HA SER 10 HA SER 10 -17.453 -0.235 10.048 81 HB2 SER 10 HB2 SER 10 -15.541 -1.410 11.013 82 HB3 SER 10 HB1 SER 10 -15.389 -2.399 9.565 83 HG SER 10 HG SER 10 -15.089 0.417 9.788 84 H ASP 11 HN ASP 11 -17.560 0.873 8.173 85 HA ASP 11 HA ASP 11 -18.321 -0.572 5.784 86 HB2 ASP 11 HB2 ASP 11 -18.775 1.612 4.837 87 HB3 ASP 11 HB1 ASP 11 -19.449 1.530 6.461 88 H THR 12 HN THR 12 -17.387 0.550 3.668 89 HA THR 12 HA THR 12 -14.437 0.402 3.863 90 HB THR 12 HB THR 12 -16.223 -0.510 1.592 91 HG1 THR 12 HG1 THR 12 -14.671 -1.877 3.528 92 HG21 THR 12 HG21 THR 12 -14.020 -1.448 0.747 93 HG22 THR 12 HG22 THR 12 -13.222 -0.444 1.960 94 HG23 THR 12 HG23 THR 12 -14.167 0.308 0.675 95 H GLY 13 HN GLY 13 -13.339 2.119 3.104 96 HA2 GLY 13 HA2 GLY 13 -14.850 4.303 1.885 97 HA3 GLY 13 HA1 GLY 13 -13.239 4.412 2.540 98 H THR 14 HN THR 14 -14.895 4.678 -0.204 99 HA THR 14 HA THR 14 -13.149 3.206 -1.957 100 HB THR 14 HB THR 14 -15.417 3.644 -2.729 101 HG1 THR 14 HG1 THR 14 -14.848 4.273 -4.725 102 HG21 THR 14 HG21 THR 14 -16.327 5.808 -3.090 103 HG22 THR 14 HG22 THR 14 -14.767 6.592 -2.849 104 HG23 THR 14 HG23 THR 14 -15.615 5.877 -1.480 105 H ALA 15 HN ALA 15 -13.645 6.644 -1.134 106 HA ALA 15 HA ALA 15 -11.237 7.462 -2.407 107 HB1 ALA 15 HB1 ALA 15 -12.893 9.163 -2.112 108 HB2 ALA 15 HB2 ALA 15 -11.574 9.566 -1.013 109 HB3 ALA 15 HB3 ALA 15 -13.037 8.803 -0.392 110 H ALA 16 HN ALA 16 -12.179 6.587 0.825 111 HA ALA 16 HA ALA 16 -9.776 7.245 2.106 112 HB1 ALA 16 HB1 ALA 16 -12.174 6.397 2.988 113 HB2 ALA 16 HB2 ALA 16 -10.711 6.312 3.968 114 HB3 ALA 16 HB3 ALA 16 -11.274 4.884 3.101 115 H VAL 17 HN VAL 17 -10.834 4.289 0.446 116 HA VAL 17 HA VAL 17 -8.563 2.804 1.302 117 HB VAL 17 HB VAL 17 -10.480 1.650 0.283 118 HG11 VAL 17 HG11 VAL 17 -11.185 2.788 -1.606 119 HG12 VAL 17 HG12 VAL 17 -10.247 1.510 -2.350 120 HG13 VAL 17 HG13 VAL 17 -9.560 3.117 -2.174 121 HG21 VAL 17 HG21 VAL 17 -9.017 0.127 -1.156 122 HG22 VAL 17 HG22 VAL 17 -8.459 0.405 0.484 123 HG23 VAL 17 HG23 VAL 17 -7.707 1.247 -0.863 124 H VAL 18 HN VAL 18 -8.984 5.075 -1.275 125 HA VAL 18 HA VAL 18 -6.664 4.462 -2.758 126 HB VAL 18 HB VAL 18 -8.087 7.100 -2.333 127 HG11 VAL 18 HG11 VAL 18 -5.911 6.382 -4.310 128 HG12 VAL 18 HG12 VAL 18 -5.761 7.536 -2.984 129 HG13 VAL 18 HG13 VAL 18 -6.848 7.873 -4.331 130 HG21 VAL 18 HG21 VAL 18 -8.860 6.597 -4.678 131 HG22 VAL 18 HG22 VAL 18 -9.440 5.447 -3.476 132 HG23 VAL 18 HG23 VAL 18 -8.096 5.014 -4.531 133 H LYS 19 HN LYS 19 -7.194 6.656 -0.052 134 HA LYS 19 HA LYS 19 -4.582 7.621 0.192 135 HB2 LYS 19 HB2 LYS 19 -6.519 8.718 1.179 136 HB3 LYS 19 HB1 LYS 19 -6.733 7.363 2.289 137 HG2 LYS 19 HG2 LYS 19 -4.586 7.794 3.328 138 HG3 LYS 19 HG1 LYS 19 -4.208 9.031 2.128 139 HD2 LYS 19 HD2 LYS 19 -4.961 10.156 4.132 140 HD3 LYS 19 HD1 LYS 19 -6.230 10.310 2.918 141 HE2 LYS 19 HE2 LYS 19 -7.459 8.444 3.925 142 HE3 LYS 19 HE1 LYS 19 -6.169 8.209 5.105 143 HZ1 LYS 19 HZ1 LYS 19 -7.529 10.814 4.831 144 HZ2 LYS 19 HZ2 LYS 19 -6.655 10.202 6.153 145 HZ3 LYS 19 HZ3 LYS 19 -8.193 9.581 5.788 146 H VAL 20 HN VAL 20 -6.025 4.688 1.731 147 HA VAL 20 HA VAL 20 -3.759 4.440 3.489 148 HB VAL 20 HB VAL 20 -4.807 2.279 4.132 149 HG11 VAL 20 HG11 VAL 20 -5.412 4.459 5.175 150 HG12 VAL 20 HG12 VAL 20 -6.751 3.311 5.179 151 HG13 VAL 20 HG13 VAL 20 -6.719 4.626 4.003 152 HG21 VAL 20 HG21 VAL 20 -7.200 1.981 3.198 153 HG22 VAL 20 HG22 VAL 20 -5.885 1.510 2.130 154 HG23 VAL 20 HG23 VAL 20 -6.695 3.042 1.896 155 H VAL 21 HN VAL 21 -4.869 2.395 0.749 156 HA VAL 21 HA VAL 21 -2.620 0.719 0.859 157 HB VAL 21 HB VAL 21 -4.467 1.343 -1.428 158 HG11 VAL 21 HG11 VAL 21 -2.197 -0.658 -1.194 159 HG12 VAL 21 HG12 VAL 21 -2.389 0.607 -2.413 160 HG13 VAL 21 HG13 VAL 21 -3.489 -0.773 -2.400 161 HG21 VAL 21 HG21 VAL 21 -5.275 -0.956 -0.870 162 HG22 VAL 21 HG22 VAL 21 -5.487 0.169 0.465 163 HG23 VAL 21 HG23 VAL 21 -4.158 -0.990 0.481 164 H GLU 22 HN GLU 22 -3.175 3.658 -1.058 165 HA GLU 22 HA GLU 22 -0.748 3.494 -2.478 166 HB2 GLU 22 HB2 GLU 22 -2.533 5.829 -1.828 167 HB3 GLU 22 HB1 GLU 22 -1.108 5.957 -2.851 168 HG2 GLU 22 HG2 GLU 22 -1.988 4.327 -4.406 169 HG3 GLU 22 HG1 GLU 22 -3.359 3.989 -3.346 170 H SER 23 HN SER 23 -1.443 4.783 0.778 171 HA SER 23 HA SER 23 1.071 6.216 0.885 172 HB2 SER 23 HB2 SER 23 0.502 6.551 3.252 173 HB3 SER 23 HB1 SER 23 -0.853 6.970 2.209 174 HG SER 23 HG SER 23 -1.951 5.336 2.986 175 H GLN 24 HN GLN 24 -0.200 3.174 2.277 176 HA GLN 24 HA GLN 24 2.317 2.517 3.469 177 HB2 GLN 24 HB2 GLN 24 -0.276 1.059 3.153 178 HB3 GLN 24 HB1 GLN 24 1.172 0.192 3.665 179 HG2 GLN 24 HG2 GLN 24 0.089 0.945 5.668 180 HG3 GLN 24 HG1 GLN 24 1.503 1.973 5.433 181 HE21 GLN 24 HE21 GLN 24 1.017 4.124 5.841 182 HE22 GLN 24 HE22 GLN 24 -0.474 4.867 5.512 183 H ALA 25 HN ALA 25 0.712 1.568 0.473 184 HA ALA 25 HA ALA 25 2.385 -0.499 -0.312 185 HB1 ALA 25 HB1 ALA 25 0.922 1.539 -1.981 186 HB2 ALA 25 HB2 ALA 25 0.437 -0.117 -1.620 187 HB3 ALA 25 HB3 ALA 25 1.811 0.187 -2.681 188 H GLU 26 HN GLU 26 2.659 2.949 -0.769 189 HA GLU 26 HA GLU 26 5.017 2.960 -2.336 190 HB2 GLU 26 HB2 GLU 26 3.646 4.996 -2.017 191 HB3 GLU 26 HB1 GLU 26 4.102 5.030 -0.313 192 HG2 GLU 26 HG2 GLU 26 5.527 6.566 -1.578 193 HG3 GLU 26 HG1 GLU 26 6.489 5.217 -0.976 194 H LEU 27 HN LEU 27 4.446 3.168 1.164 195 HA LEU 27 HA LEU 27 7.150 3.240 1.925 196 HB2 LEU 27 HB2 LEU 27 5.331 3.833 3.457 197 HB3 LEU 27 HB1 LEU 27 4.799 2.151 3.481 198 HG LEU 27 HG LEU 27 7.057 1.492 4.333 199 HD11 LEU 27 HD11 LEU 27 7.453 4.484 4.295 200 HD12 LEU 27 HD12 LEU 27 8.462 3.240 3.560 201 HD13 LEU 27 HD13 LEU 27 8.423 3.417 5.313 202 HD21 LEU 27 HD21 LEU 27 5.056 2.057 5.824 203 HD22 LEU 27 HD22 LEU 27 5.813 3.626 6.087 204 HD23 LEU 27 HD23 LEU 27 6.638 2.153 6.599 205 H TYR 28 HN TYR 28 5.041 0.464 1.372 206 HA TYR 28 HA TYR 28 6.810 -1.471 2.451 207 HB2 TYR 28 HB2 TYR 28 4.447 -2.048 2.098 208 HB3 TYR 28 HB1 TYR 28 4.637 -1.900 0.356 209 HD1 TYR 28 HD1 TYR 28 5.526 -3.854 3.346 210 HD2 TYR 28 HD2 TYR 28 5.926 -3.553 -0.918 211 HE1 TYR 28 HE1 TYR 28 6.419 -6.165 3.267 212 HE2 TYR 28 HE2 TYR 28 6.809 -5.866 -1.000 213 HH TYR 28 HH TYR 28 6.516 -8.006 0.648 214 H GLU 29 HN GLU 29 6.209 -0.100 -0.693 215 HA GLU 29 HA GLU 29 8.147 -1.531 -2.134 216 HB2 GLU 29 HB2 GLU 29 7.000 1.232 -2.518 217 HB3 GLU 29 HB1 GLU 29 8.106 0.469 -3.671 218 HG2 GLU 29 HG2 GLU 29 6.640 -1.346 -4.032 219 HG3 GLU 29 HG1 GLU 29 5.677 -0.911 -2.629 220 H LEU 30 HN LEU 30 8.373 1.407 -0.084 221 HA LEU 30 HA LEU 30 11.052 1.951 -0.826 222 HB2 LEU 30 HB2 LEU 30 9.690 3.568 0.450 223 HB3 LEU 30 HB1 LEU 30 9.622 2.441 1.808 224 HG LEU 30 HG LEU 30 12.090 2.537 1.996 225 HD11 LEU 30 HD11 LEU 30 13.217 4.433 0.712 226 HD12 LEU 30 HD12 LEU 30 11.774 4.481 -0.301 227 HD13 LEU 30 HD13 LEU 30 12.766 3.024 -0.249 228 HD21 LEU 30 HD21 LEU 30 10.879 4.059 3.398 229 HD22 LEU 30 HD22 LEU 30 10.566 5.152 2.052 230 HD23 LEU 30 HD23 LEU 30 12.200 4.987 2.691 231 H LYS 31 HN LYS 31 9.530 0.019 1.735 232 HA LYS 31 HA LYS 31 11.832 -0.961 2.993 233 HB2 LYS 31 HB2 LYS 31 9.575 -1.415 3.866 234 HB3 LYS 31 HB1 LYS 31 9.256 -2.476 2.501 235 HG2 LYS 31 HG2 LYS 31 11.124 -3.928 3.164 236 HG3 LYS 31 HG1 LYS 31 11.465 -2.866 4.531 237 HD2 LYS 31 HD2 LYS 31 9.219 -3.312 5.446 238 HD3 LYS 31 HD1 LYS 31 8.871 -4.370 4.079 239 HE2 LYS 31 HE2 LYS 31 10.741 -5.839 4.731 240 HE3 LYS 31 HE1 LYS 31 11.100 -4.780 6.094 241 HZ1 LYS 31 HZ1 LYS 31 9.729 -6.728 6.689 242 HZ2 LYS 31 HZ2 LYS 31 8.496 -6.142 5.677 243 HZ3 LYS 31 HZ3 LYS 31 8.975 -5.251 7.042 244 H ASN 32 HN ASN 32 10.026 -2.260 0.248 245 HA ASN 32 HA ASN 32 12.498 -3.647 -0.649 246 HB2 ASN 32 HB2 ASN 32 9.675 -4.739 -0.774 247 HB3 ASN 32 HB1 ASN 32 11.104 -5.515 -1.455 248 HD21 ASN 32 HD21 ASN 32 9.175 -6.131 0.967 249 HD22 ASN 32 HD22 ASN 32 10.264 -6.517 2.210 250 H THR 33 HN THR 33 13.100 -2.523 -2.433 251 HA THR 33 HA THR 33 11.014 -1.407 -4.165 252 HB THR 33 HB THR 33 13.024 -0.058 -3.416 253 HG1 THR 33 HG1 THR 33 12.712 -0.460 -6.205 254 HG21 THR 33 HG21 THR 33 15.154 -0.464 -4.435 255 HG22 THR 33 HG22 THR 33 14.484 -1.713 -5.484 256 HG23 THR 33 HG23 THR 33 14.624 -2.001 -3.751 257 H ASN 34 HN ASN 34 13.061 -4.166 -4.048 258 HA ASN 34 HA ASN 34 13.573 -4.588 -6.788 259 HB2 ASN 34 HB2 ASN 34 13.178 -6.531 -4.503 260 HB3 ASN 34 HB1 ASN 34 13.664 -7.030 -6.121 261 HD21 ASN 34 HD21 ASN 34 15.626 -5.515 -6.971 262 HD22 ASN 34 HD22 ASN 34 16.881 -5.316 -5.843 263 H GLU 35 HN GLU 35 10.823 -5.379 -4.749 264 HA GLU 35 HA GLU 35 9.247 -6.044 -7.180 265 HB2 GLU 35 HB2 GLU 35 8.860 -7.109 -4.371 266 HB3 GLU 35 HB1 GLU 35 7.895 -7.522 -5.785 267 HG2 GLU 35 HG2 GLU 35 9.873 -8.482 -6.897 268 HG3 GLU 35 HG1 GLU 35 10.858 -8.092 -5.489 269 H LYS 36 HN LYS 36 7.040 -5.215 -7.148 270 HA LYS 36 HA LYS 36 6.801 -2.951 -5.347 271 HB2 LYS 36 HB2 LYS 36 4.955 -3.899 -7.544 272 HB3 LYS 36 HB1 LYS 36 4.810 -2.398 -6.633 273 HG2 LYS 36 HG2 LYS 36 7.178 -3.157 -8.380 274 HG3 LYS 36 HG1 LYS 36 5.889 -2.054 -8.859 275 HD2 LYS 36 HD2 LYS 36 6.466 -0.623 -6.870 276 HD3 LYS 36 HD1 LYS 36 7.855 -1.672 -6.584 277 HE2 LYS 36 HE2 LYS 36 7.339 -0.156 -9.157 278 HE3 LYS 36 HE1 LYS 36 8.467 0.347 -7.898 279 HZ1 LYS 36 HZ1 LYS 36 9.593 -0.859 -9.660 280 HZ2 LYS 36 HZ2 LYS 36 8.588 -2.206 -9.413 281 HZ3 LYS 36 HZ3 LYS 36 9.676 -1.721 -8.201 282 H ALA 37 HN ALA 37 5.440 -2.853 -3.739 283 HA ALA 37 HA ALA 37 4.561 -5.025 -2.355 284 HB1 ALA 37 HB1 ALA 37 3.456 -3.559 -0.936 285 HB2 ALA 37 HB2 ALA 37 2.865 -2.556 -2.265 286 HB3 ALA 37 HB3 ALA 37 4.555 -2.451 -1.757 287 H SER 38 HN SER 38 2.064 -5.252 -1.754 288 HA SER 38 HA SER 38 0.346 -5.073 -4.097 289 HB2 SER 38 HB2 SER 38 -0.144 -7.404 -4.237 290 HB3 SER 38 HB1 SER 38 1.608 -7.257 -4.340 291 HG SER 38 HG SER 38 0.226 -8.683 -2.638 292 H LEU 39 HN LEU 39 -1.842 -5.999 -3.475 293 HA LEU 39 HA LEU 39 -2.671 -4.694 -1.095 294 HB2 LEU 39 HB2 LEU 39 -4.018 -6.844 -2.769 295 HB3 LEU 39 HB1 LEU 39 -4.811 -6.008 -1.434 296 HG LEU 39 HG LEU 39 -3.622 -4.595 -3.835 297 HD11 LEU 39 HD11 LEU 39 -6.205 -4.231 -4.244 298 HD12 LEU 39 HD12 LEU 39 -6.322 -5.773 -3.401 299 HD13 LEU 39 HD13 LEU 39 -5.364 -5.641 -4.867 300 HD21 LEU 39 HD21 LEU 39 -5.714 -3.209 -2.325 301 HD22 LEU 39 HD22 LEU 39 -4.119 -2.657 -2.789 302 HD23 LEU 39 HD23 LEU 39 -4.329 -3.578 -1.310 303 H SER 40 HN SER 40 -1.998 -8.054 -1.889 304 HA SER 40 HA SER 40 -2.607 -9.167 0.617 305 HB2 SER 40 HB2 SER 40 -0.694 -10.075 -1.533 306 HB3 SER 40 HB1 SER 40 -1.130 -11.045 -0.129 307 HG SER 40 HG SER 40 -2.945 -11.499 -1.074 308 H LYS 41 HN LYS 41 0.464 -7.814 -0.608 309 HA LYS 41 HA LYS 41 2.070 -8.683 1.520 310 HB2 LYS 41 HB2 LYS 41 2.354 -6.422 -0.406 311 HB3 LYS 41 HB1 LYS 41 3.593 -6.806 0.775 312 HG2 LYS 41 HG2 LYS 41 3.779 -9.076 -0.105 313 HG3 LYS 41 HG1 LYS 41 2.478 -8.771 -1.247 314 HD2 LYS 41 HD2 LYS 41 3.835 -6.977 -2.289 315 HD3 LYS 41 HD1 LYS 41 5.146 -7.342 -1.168 316 HE2 LYS 41 HE2 LYS 41 3.947 -9.324 -3.120 317 HE3 LYS 41 HE1 LYS 41 5.448 -8.438 -3.383 318 HZ1 LYS 41 HZ1 LYS 41 6.055 -10.514 -2.496 319 HZ2 LYS 41 HZ2 LYS 41 4.862 -10.447 -1.288 320 HZ3 LYS 41 HZ3 LYS 41 6.209 -9.416 -1.212 321 H LEU 42 HN LEU 42 0.541 -5.496 1.102 322 HA LEU 42 HA LEU 42 1.515 -4.368 3.434 323 HB2 LEU 42 HB2 LEU 42 -1.153 -3.845 2.083 324 HB3 LEU 42 HB1 LEU 42 -0.490 -2.859 3.390 325 HG LEU 42 HG LEU 42 0.836 -3.337 0.702 326 HD11 LEU 42 HD11 LEU 42 -1.120 -1.952 0.423 327 HD12 LEU 42 HD12 LEU 42 0.282 -0.883 0.428 328 HD13 LEU 42 HD13 LEU 42 -0.721 -1.020 1.876 329 HD21 LEU 42 HD21 LEU 42 1.593 -1.768 3.176 330 HD22 LEU 42 HD22 LEU 42 2.225 -1.329 1.590 331 HD23 LEU 42 HD23 LEU 42 2.567 -2.919 2.267 332 H VAL 43 HN VAL 43 -1.187 -6.441 2.715 333 HA VAL 43 HA VAL 43 -2.329 -6.252 5.284 334 HB VAL 43 HB VAL 43 -2.852 -7.551 2.775 335 HG11 VAL 43 HG11 VAL 43 -4.568 -9.064 3.938 336 HG12 VAL 43 HG12 VAL 43 -3.684 -8.746 5.431 337 HG13 VAL 43 HG13 VAL 43 -2.888 -9.577 4.095 338 HG21 VAL 43 HG21 VAL 43 -5.174 -6.899 3.547 339 HG22 VAL 43 HG22 VAL 43 -4.049 -5.595 3.293 340 HG23 VAL 43 HG23 VAL 43 -4.406 -6.145 4.931 341 H SER 44 HN SER 44 0.049 -8.422 3.740 342 HA SER 44 HA SER 44 -0.172 -10.406 5.703 343 HB2 SER 44 HB2 SER 44 2.188 -9.500 4.038 344 HB3 SER 44 HB1 SER 44 2.179 -10.944 5.029 345 HG SER 44 HG SER 44 0.933 -11.918 3.623 346 H SER 45 HN SER 45 1.842 -7.617 5.201 347 HA SER 45 HA SER 45 3.166 -7.271 7.647 348 HB2 SER 45 HB2 SER 45 2.177 -5.270 5.614 349 HB3 SER 45 HB1 SER 45 3.200 -4.848 6.982 350 HG SER 45 HG SER 45 4.274 -5.379 4.922 351 H GLY 46 HN GLY 46 -0.099 -7.386 7.170 352 HA2 GLY 46 HA2 GLY 46 -2.002 -6.457 7.945 353 HA3 GLY 46 HA1 GLY 46 -1.295 -6.979 9.468 354 H ASN 47 HN ASN 47 -0.001 -4.398 7.430 355 HA ASN 47 HA ASN 47 0.012 -2.479 9.560 356 HB2 ASN 47 HB2 ASN 47 1.461 -2.352 7.493 357 HB3 ASN 47 HB1 ASN 47 0.013 -1.964 6.542 358 HD21 ASN 47 HD21 ASN 47 2.264 -0.149 6.846 359 HD22 ASN 47 HD22 ASN 47 1.708 1.211 7.691 360 H ILE 48 HN ILE 48 -1.885 -3.166 6.835 361 HA ILE 48 HA ILE 48 -4.199 -1.634 7.834 362 HB ILE 48 HB ILE 48 -4.803 -1.749 5.284 363 HG12 ILE 48 HG12 ILE 48 -2.820 -1.741 3.813 364 HG13 ILE 48 HG11 ILE 48 -1.772 -2.035 5.183 365 HG21 ILE 48 HG21 ILE 48 -2.477 0.004 6.081 366 HG22 ILE 48 HG22 ILE 48 -4.097 0.248 6.740 367 HG23 ILE 48 HG23 ILE 48 -3.817 0.399 5.013 368 HD11 ILE 48 HD11 ILE 48 -2.447 -4.234 5.394 369 HD12 ILE 48 HD12 ILE 48 -2.546 -4.023 3.653 370 HD13 ILE 48 HD13 ILE 48 -4.008 -3.950 4.632 371 H SER 49 HN SER 49 -6.401 -2.686 7.270 372 HA SER 49 HA SER 49 -6.220 -5.457 7.898 373 HB2 SER 49 HB2 SER 49 -8.641 -5.329 8.023 374 HB3 SER 49 HB1 SER 49 -7.923 -3.954 8.858 375 HG SER 49 HG SER 49 -8.275 -2.737 6.953 376 H GLN 50 HN GLN 50 -7.711 -6.956 6.731 377 HA GLN 50 HA GLN 50 -6.745 -7.511 4.217 378 HB2 GLN 50 HB2 GLN 50 -7.768 -9.253 5.515 379 HB3 GLN 50 HB1 GLN 50 -9.297 -8.369 5.500 380 HG2 GLN 50 HG2 GLN 50 -8.111 -8.826 2.844 381 HG3 GLN 50 HG1 GLN 50 -8.670 -10.276 3.662 382 HE21 GLN 50 HE21 GLN 50 -9.697 -7.894 1.612 383 HE22 GLN 50 HE22 GLN 50 -11.358 -7.928 1.946 384 H LYS 51 HN LYS 51 -10.044 -6.048 5.040 385 HA LYS 51 HA LYS 51 -10.831 -5.813 2.490 386 HB2 LYS 51 HB2 LYS 51 -12.445 -4.306 3.429 387 HB3 LYS 51 HB1 LYS 51 -12.119 -5.566 4.615 388 HG2 LYS 51 HG2 LYS 51 -10.501 -4.070 5.767 389 HG3 LYS 51 HG1 LYS 51 -10.884 -2.798 4.610 390 HD2 LYS 51 HD2 LYS 51 -13.241 -2.831 5.314 391 HD3 LYS 51 HD1 LYS 51 -12.874 -4.097 6.485 392 HE2 LYS 51 HE2 LYS 51 -11.288 -2.591 7.624 393 HE3 LYS 51 HE1 LYS 51 -11.647 -1.322 6.453 394 HZ1 LYS 51 HZ1 LYS 51 -13.742 -1.013 7.289 395 HZ2 LYS 51 HZ2 LYS 51 -12.898 -1.403 8.709 396 HZ3 LYS 51 HZ3 LYS 51 -13.852 -2.576 7.935 397 H GLN 52 HN GLN 52 -8.509 -3.927 4.344 398 HA GLN 52 HA GLN 52 -8.703 -1.659 2.655 399 HB2 GLN 52 HB2 GLN 52 -7.586 -1.730 4.917 400 HB3 GLN 52 HB1 GLN 52 -6.313 -2.695 4.187 401 HG2 GLN 52 HG2 GLN 52 -6.985 -0.142 2.791 402 HG3 GLN 52 HG1 GLN 52 -6.192 -0.005 4.362 403 HE21 GLN 52 HE21 GLN 52 -4.318 0.847 2.965 404 HE22 GLN 52 HE22 GLN 52 -3.266 -0.301 2.301 405 H ALA 53 HN ALA 53 -7.083 -4.809 2.742 406 HA ALA 53 HA ALA 53 -5.496 -4.274 0.328 407 HB1 ALA 53 HB1 ALA 53 -6.226 -6.751 1.834 408 HB2 ALA 53 HB2 ALA 53 -4.653 -6.144 1.362 409 HB3 ALA 53 HB3 ALA 53 -5.684 -6.925 0.177 410 H ASP 54 HN ASP 54 -8.666 -5.977 0.858 411 HA ASP 54 HA ASP 54 -8.965 -6.319 -2.011 412 HB2 ASP 54 HB2 ASP 54 -10.828 -6.651 0.279 413 HB3 ASP 54 HB1 ASP 54 -11.343 -6.919 -1.381 414 H SER 55 HN SER 55 -9.508 -3.672 -0.019 415 HA SER 55 HA SER 55 -11.754 -2.579 -1.386 416 HB2 SER 55 HB2 SER 55 -9.720 -1.326 0.445 417 HB3 SER 55 HB1 SER 55 -11.021 -0.408 -0.309 418 HG SER 55 HG SER 55 -11.388 -1.388 1.862 419 H TYR 56 HN TYR 56 -8.211 -2.347 -1.765 420 HA TYR 56 HA TYR 56 -8.557 -0.354 -3.843 421 HB2 TYR 56 HB2 TYR 56 -6.363 -0.975 -2.487 422 HB3 TYR 56 HB1 TYR 56 -6.085 -1.952 -3.935 423 HD1 TYR 56 HD1 TYR 56 -5.952 1.337 -2.552 424 HD2 TYR 56 HD2 TYR 56 -6.541 -0.785 -6.231 425 HE1 TYR 56 HE1 TYR 56 -5.440 3.403 -3.821 426 HE2 TYR 56 HE2 TYR 56 -6.026 1.279 -7.503 427 HH TYR 56 HH TYR 56 -6.231 4.122 -6.550 428 H LYS 57 HN LYS 57 -8.260 -3.857 -3.682 429 HA LYS 57 HA LYS 57 -8.105 -4.426 -6.456 430 HB2 LYS 57 HB2 LYS 57 -7.912 -6.162 -4.661 431 HB3 LYS 57 HB1 LYS 57 -9.625 -5.969 -4.322 432 HG2 LYS 57 HG2 LYS 57 -10.175 -6.641 -6.620 433 HG3 LYS 57 HG1 LYS 57 -8.454 -6.811 -6.990 434 HD2 LYS 57 HD2 LYS 57 -8.251 -8.556 -5.258 435 HD3 LYS 57 HD1 LYS 57 -9.967 -8.389 -4.885 436 HE2 LYS 57 HE2 LYS 57 -10.541 -9.048 -7.189 437 HE3 LYS 57 HE1 LYS 57 -8.828 -9.206 -7.575 438 HZ1 LYS 57 HZ1 LYS 57 -10.340 -10.780 -5.561 439 HZ2 LYS 57 HZ2 LYS 57 -8.661 -10.883 -5.806 440 HZ3 LYS 57 HZ3 LYS 57 -9.733 -11.349 -7.039 441 H ALA 58 HN ALA 58 -10.437 -3.426 -4.339 442 HA ALA 58 HA ALA 58 -12.873 -3.806 -5.868 443 HB1 ALA 58 HB1 ALA 58 -12.905 -1.575 -3.929 444 HB2 ALA 58 HB2 ALA 58 -12.443 -3.135 -3.253 445 HB3 ALA 58 HB3 ALA 58 -13.989 -2.959 -4.079 446 H TYR 59 HN TYR 59 -10.492 -1.173 -5.515 447 HA TYR 59 HA TYR 59 -11.879 0.719 -7.155 448 HB2 TYR 59 HB2 TYR 59 -10.118 1.370 -5.526 449 HB3 TYR 59 HB1 TYR 59 -8.929 0.497 -6.494 450 HD1 TYR 59 HD1 TYR 59 -11.397 3.288 -6.599 451 HD2 TYR 59 HD2 TYR 59 -7.958 1.476 -8.424 452 HE1 TYR 59 HE1 TYR 59 -11.131 5.270 -8.066 453 HE2 TYR 59 HE2 TYR 59 -7.692 3.457 -9.893 454 HH TYR 59 HH TYR 59 -8.308 5.734 -10.035 455 H TYR 60 HN TYR 60 -9.432 -1.743 -7.594 456 HA TYR 60 HA TYR 60 -8.769 -1.330 -10.299 457 HB2 TYR 60 HB2 TYR 60 -7.411 -2.794 -8.912 458 HB3 TYR 60 HB1 TYR 60 -8.793 -3.842 -8.593 459 HD1 TYR 60 HD1 TYR 60 -6.631 -2.538 -11.339 460 HD2 TYR 60 HD2 TYR 60 -9.344 -5.605 -10.054 461 HE1 TYR 60 HE1 TYR 60 -6.119 -3.847 -13.383 462 HE2 TYR 60 HE2 TYR 60 -8.835 -6.916 -12.098 463 HH TYR 60 HH TYR 60 -6.215 -6.368 -14.022 464 H GLY 61 HN GLY 61 -11.170 -3.108 -8.555 465 HA2 GLY 61 HA2 GLY 61 -12.446 -4.592 -10.473 466 HA3 GLY 61 HA1 GLY 61 -13.207 -3.908 -9.046 467 H LYS 62 HN LYS 62 -12.889 -1.175 -9.603 468 HA LYS 62 HA LYS 62 -15.162 -0.632 -11.143 469 HB2 LYS 62 HB2 LYS 62 -14.272 0.948 -9.494 470 HB3 LYS 62 HB1 LYS 62 -12.837 1.192 -10.485 471 HG2 LYS 62 HG2 LYS 62 -14.390 3.024 -10.865 472 HG3 LYS 62 HG1 LYS 62 -14.302 2.038 -12.322 473 HD2 LYS 62 HD2 LYS 62 -16.382 0.912 -11.743 474 HD3 LYS 62 HD1 LYS 62 -16.445 1.758 -10.195 475 HE2 LYS 62 HE2 LYS 62 -16.444 3.130 -12.889 476 HE3 LYS 62 HE1 LYS 62 -17.902 2.791 -11.957 477 HZ1 LYS 62 HZ1 LYS 62 -16.614 4.006 -10.089 478 HZ2 LYS 62 HZ2 LYS 62 -17.381 4.919 -11.300 479 HZ3 LYS 62 HZ3 LYS 62 -15.703 4.655 -11.363 480 H HIS 63 HN HIS 63 -11.707 -0.416 -12.023 481 HA HIS 63 HA HIS 63 -12.551 -0.435 -14.859 482 HB2 HIS 63 HB2 HIS 63 -10.195 1.045 -13.670 483 HB3 HIS 63 HB1 HIS 63 -10.604 0.969 -15.386 484 HD1 HIS 63 HD1 HIS 63 -13.162 1.867 -15.928 485 HD2 HIS 63 HD2 HIS 63 -11.419 3.148 -12.363 486 HE1 HIS 63 HE1 HIS 63 -14.478 3.896 -15.175 487 HE2 HIS 63 HE2 HIS 63 -13.427 4.689 -13.003 488 H SER 64 HN SER 64 -12.131 -2.412 -15.547 489 HA SER 64 HA SER 64 -10.216 -4.220 -14.541 490 HB2 SER 64 HB2 SER 64 -12.177 -4.865 -15.881 491 HB3 SER 64 HB1 SER 64 -11.464 -4.035 -17.267 492 HG SER 64 HG SER 64 -9.680 -5.481 -17.076 493 H GLY 65 HN GLY 65 -10.194 -2.119 -17.385 494 HA2 GLY 65 HA2 GLY 65 -7.747 -2.917 -18.485 495 HA3 GLY 65 HA1 GLY 65 -8.523 -1.354 -18.751 496 H GLU 66 HN GLU 66 -8.542 -0.530 -16.041 497 HA GLU 66 HA GLU 66 -5.784 0.418 -15.885 498 HB2 GLU 66 HB2 GLU 66 -8.196 1.023 -14.165 499 HB3 GLU 66 HB1 GLU 66 -6.629 1.811 -14.013 500 HG2 GLU 66 HG2 GLU 66 -6.802 2.605 -16.343 501 HG3 GLU 66 HG1 GLU 66 -8.375 1.823 -16.489 502 H THR 67 HN THR 67 -4.287 -0.086 -14.332 503 HA THR 67 HA THR 67 -5.057 -2.214 -12.429 504 HB THR 67 HB THR 67 -2.361 -1.685 -13.693 505 HG1 THR 67 HG1 THR 67 -4.161 -3.852 -13.997 506 HG21 THR 67 HG21 THR 67 -2.135 -2.564 -11.428 507 HG22 THR 67 HG22 THR 67 -1.755 -3.835 -12.590 508 HG23 THR 67 HG23 THR 67 -3.317 -3.826 -11.773 509 H GLN 68 HN GLN 68 -5.071 -1.615 -10.374 510 HA GLN 68 HA GLN 68 -4.751 0.725 -9.284 511 HB2 GLN 68 HB2 GLN 68 -4.165 -0.416 -7.129 512 HB3 GLN 68 HB1 GLN 68 -5.545 -1.091 -7.978 513 HG2 GLN 68 HG2 GLN 68 -4.453 -3.020 -8.499 514 HG3 GLN 68 HG1 GLN 68 -2.902 -2.237 -8.660 515 HE21 GLN 68 HE21 GLN 68 -4.663 -1.619 -5.675 516 HE22 GLN 68 HE22 GLN 68 -3.703 -2.618 -4.695 517 H THR 69 HN THR 69 -3.393 1.534 -7.749 518 HA THR 69 HA THR 69 -0.985 2.513 -8.735 519 HB THR 69 HB THR 69 -1.885 2.411 -5.850 520 HG1 THR 69 HG1 THR 69 -2.216 4.281 -7.951 521 HG21 THR 69 HG21 THR 69 0.430 2.951 -5.836 522 HG22 THR 69 HG22 THR 69 -0.403 4.504 -5.765 523 HG23 THR 69 HG23 THR 69 0.287 3.944 -7.288 524 H VAL 70 HN VAL 70 -1.537 -0.275 -6.594 525 HA VAL 70 HA VAL 70 1.386 -0.737 -6.676 526 HB VAL 70 HB VAL 70 0.762 -0.283 -4.433 527 HG11 VAL 70 HG11 VAL 70 -1.055 -1.672 -3.315 528 HG12 VAL 70 HG12 VAL 70 -1.576 -2.116 -4.945 529 HG13 VAL 70 HG13 VAL 70 -1.603 -0.424 -4.441 530 HG21 VAL 70 HG21 VAL 70 0.803 -3.272 -4.807 531 HG22 VAL 70 HG22 VAL 70 1.112 -2.430 -3.296 532 HG23 VAL 70 HG23 VAL 70 2.214 -2.227 -4.660 533 H ALA 71 HN ALA 71 1.970 -3.174 -6.729 534 HA ALA 71 HA ALA 71 0.310 -4.326 -8.810 535 HB1 ALA 71 HB1 ALA 71 2.902 -4.320 -8.588 536 HB2 ALA 71 HB2 ALA 71 2.092 -5.750 -9.231 537 HB3 ALA 71 HB3 ALA 71 2.636 -5.725 -7.553 538 H ASN 72 HN ASN 72 -1.622 -5.191 -8.009 539 HA ASN 72 HA ASN 72 -1.453 -7.090 -5.776 540 HB2 ASN 72 HB2 ASN 72 -3.916 -7.219 -5.947 541 HB3 ASN 72 HB1 ASN 72 -3.355 -5.579 -5.674 542 HD21 ASN 72 HD21 ASN 72 -5.498 -4.924 -6.667 543 HD22 ASN 72 HD22 ASN 72 -5.648 -4.906 -8.368 Start of MODEL 7 1 H1 ASN 1 HT1 ASN 1 -25.619 5.795 1.307 2 H2 ASN 1 HT2 ASN 1 -25.165 4.568 0.223 3 H3 ASN 1 HT3 ASN 1 -26.181 5.828 -0.294 4 HA ASN 1 HA ASN 1 -23.581 6.586 0.786 5 HB2 ASN 1 HB2 ASN 1 -22.605 6.217 -1.530 6 HB3 ASN 1 HB1 ASN 1 -22.879 4.751 -0.590 7 HD21 ASN 1 HD21 ASN 1 -23.550 3.186 -2.077 8 HD22 ASN 1 HD22 ASN 1 -24.770 3.426 -3.248 9 H LEU 2 HN LEU 2 -25.950 7.984 0.773 10 HA LEU 2 HA LEU 2 -25.667 9.821 -1.529 11 HB2 LEU 2 HB2 LEU 2 -28.074 9.372 0.258 12 HB3 LEU 2 HB1 LEU 2 -27.996 10.486 -1.105 13 HG LEU 2 HG LEU 2 -27.616 7.481 -1.292 14 HD11 LEU 2 HD11 LEU 2 -29.927 9.152 -2.317 15 HD12 LEU 2 HD12 LEU 2 -29.960 8.335 -0.753 16 HD13 LEU 2 HD13 LEU 2 -29.821 7.392 -2.237 17 HD21 LEU 2 HD21 LEU 2 -27.898 8.020 -3.773 18 HD22 LEU 2 HD22 LEU 2 -26.379 8.551 -3.049 19 HD23 LEU 2 HD23 LEU 2 -27.674 9.715 -3.339 20 H THR 3 HN THR 3 -25.426 11.988 -1.165 21 HA THR 3 HA THR 3 -24.829 13.907 -0.064 22 HB THR 3 HB THR 3 -26.175 14.568 1.693 23 HG1 THR 3 HG1 THR 3 -26.920 13.038 3.259 24 HG21 THR 3 HG21 THR 3 -28.343 13.767 1.268 25 HG22 THR 3 HG22 THR 3 -27.780 12.134 0.930 26 HG23 THR 3 HG23 THR 3 -27.492 13.426 -0.237 27 H LYS 4 HN LYS 4 -23.559 14.781 1.754 28 HA LYS 4 HA LYS 4 -21.770 12.721 2.892 29 HB2 LYS 4 HB2 LYS 4 -20.629 14.086 1.212 30 HB3 LYS 4 HB1 LYS 4 -21.123 15.557 2.047 31 HG2 LYS 4 HG2 LYS 4 -18.819 15.026 2.649 32 HG3 LYS 4 HG1 LYS 4 -19.848 14.795 4.059 33 HD2 LYS 4 HD2 LYS 4 -19.899 12.382 3.673 34 HD3 LYS 4 HD1 LYS 4 -18.972 12.577 2.185 35 HE2 LYS 4 HE2 LYS 4 -17.085 13.494 3.481 36 HE3 LYS 4 HE1 LYS 4 -18.013 13.304 4.969 37 HZ1 LYS 4 HZ1 LYS 4 -18.201 10.884 4.309 38 HZ2 LYS 4 HZ2 LYS 4 -16.671 11.411 4.829 39 HZ3 LYS 4 HZ3 LYS 4 -16.983 11.193 3.172 40 H GLN 5 HN GLN 5 -21.647 12.631 5.042 41 HA GLN 5 HA GLN 5 -22.656 14.932 6.600 42 HB2 GLN 5 HB2 GLN 5 -23.224 12.026 6.805 43 HB3 GLN 5 HB1 GLN 5 -23.054 12.917 8.318 44 HG2 GLN 5 HG2 GLN 5 -25.374 13.014 7.675 45 HG3 GLN 5 HG1 GLN 5 -24.671 14.611 7.418 46 HE21 GLN 5 HE21 GLN 5 -25.548 15.453 5.518 47 HE22 GLN 5 HE22 GLN 5 -25.762 14.579 4.077 48 H LYS 6 HN LYS 6 -21.972 14.610 9.003 49 HA LYS 6 HA LYS 6 -20.290 14.754 10.531 50 HB2 LYS 6 HB2 LYS 6 -19.100 12.553 8.828 51 HB3 LYS 6 HB1 LYS 6 -18.521 13.018 10.424 52 HG2 LYS 6 HG2 LYS 6 -20.725 12.480 11.389 53 HG3 LYS 6 HG1 LYS 6 -21.310 12.012 9.792 54 HD2 LYS 6 HD2 LYS 6 -19.571 10.265 9.664 55 HD3 LYS 6 HD1 LYS 6 -18.993 10.724 11.266 56 HE2 LYS 6 HE2 LYS 6 -21.189 10.158 12.230 57 HE3 LYS 6 HE1 LYS 6 -21.778 9.707 10.629 58 HZ1 LYS 6 HZ1 LYS 6 -19.934 8.068 10.539 59 HZ2 LYS 6 HZ2 LYS 6 -21.085 7.740 11.743 60 HZ3 LYS 6 HZ3 LYS 6 -19.586 8.422 12.161 61 H ASP 7 HN ASP 7 -20.157 16.779 8.791 62 HA ASP 7 HA ASP 7 -17.784 17.043 7.304 63 HB2 ASP 7 HB2 ASP 7 -19.707 18.557 7.085 64 HB3 ASP 7 HB1 ASP 7 -19.394 19.178 8.706 65 H ALA 8 HN ALA 8 -18.518 17.935 10.678 66 HA ALA 8 HA ALA 8 -16.057 19.162 11.271 67 HB1 ALA 8 HB1 ALA 8 -18.369 18.924 12.599 68 HB2 ALA 8 HB2 ALA 8 -16.856 19.350 13.400 69 HB3 ALA 8 HB3 ALA 8 -17.443 17.685 13.445 70 H VAL 9 HN VAL 9 -17.051 15.761 11.589 71 HA VAL 9 HA VAL 9 -14.227 15.095 12.192 72 HB VAL 9 HB VAL 9 -16.740 13.640 13.056 73 HG11 VAL 9 HG11 VAL 9 -13.790 13.039 13.392 74 HG12 VAL 9 HG12 VAL 9 -15.021 12.013 12.655 75 HG13 VAL 9 HG13 VAL 9 -15.040 12.300 14.396 76 HG21 VAL 9 HG21 VAL 9 -14.703 15.359 14.498 77 HG22 VAL 9 HG22 VAL 9 -15.783 14.253 15.349 78 HG23 VAL 9 HG23 VAL 9 -16.448 15.594 14.415 79 H SER 10 HN SER 10 -13.215 13.835 10.733 80 HA SER 10 HA SER 10 -14.491 13.108 8.317 81 HB2 SER 10 HB2 SER 10 -12.403 12.062 7.724 82 HB3 SER 10 HB1 SER 10 -12.041 13.548 8.597 83 HG SER 10 HG SER 10 -11.102 11.253 9.172 84 H ASP 11 HN ASP 11 -14.749 10.996 7.427 85 HA ASP 11 HA ASP 11 -16.005 9.177 9.296 86 HB2 ASP 11 HB2 ASP 11 -16.795 8.009 7.327 87 HB3 ASP 11 HB1 ASP 11 -17.047 9.739 7.117 88 H THR 12 HN THR 12 -15.653 6.721 8.358 89 HA THR 12 HA THR 12 -13.193 5.909 9.445 90 HB THR 12 HB THR 12 -15.039 4.418 7.561 91 HG1 THR 12 HG1 THR 12 -15.848 5.203 9.642 92 HG21 THR 12 HG21 THR 12 -12.849 3.369 7.620 93 HG22 THR 12 HG22 THR 12 -13.964 2.407 8.591 94 HG23 THR 12 HG23 THR 12 -12.805 3.478 9.380 95 H GLY 13 HN GLY 13 -14.239 6.287 6.055 96 HA2 GLY 13 HA2 GLY 13 -11.857 7.207 5.038 97 HA3 GLY 13 HA1 GLY 13 -11.708 5.467 4.984 98 H THR 14 HN THR 14 -12.739 4.300 3.506 99 HA THR 14 HA THR 14 -13.892 3.808 1.589 100 HB THR 14 HB THR 14 -15.211 6.526 1.664 101 HG1 THR 14 HG1 THR 14 -16.705 5.686 3.062 102 HG21 THR 14 HG21 THR 14 -16.961 5.411 0.475 103 HG22 THR 14 HG22 THR 14 -16.279 3.825 0.832 104 HG23 THR 14 HG23 THR 14 -15.450 4.910 -0.285 105 H ALA 15 HN ALA 15 -13.547 7.345 1.350 106 HA ALA 15 HA ALA 15 -12.201 7.178 -1.176 107 HB1 ALA 15 HB1 ALA 15 -12.747 9.389 0.783 108 HB2 ALA 15 HB2 ALA 15 -13.278 9.239 -0.891 109 HB3 ALA 15 HB3 ALA 15 -11.600 9.644 -0.531 110 H ALA 16 HN ALA 16 -11.329 7.574 2.144 111 HA ALA 16 HA ALA 16 -8.579 8.031 1.886 112 HB1 ALA 16 HB1 ALA 16 -9.730 6.452 4.165 113 HB2 ALA 16 HB2 ALA 16 -10.147 8.153 3.975 114 HB3 ALA 16 HB3 ALA 16 -8.463 7.678 4.189 115 H VAL 17 HN VAL 17 -10.515 5.078 1.917 116 HA VAL 17 HA VAL 17 -8.487 3.235 2.341 117 HB VAL 17 HB VAL 17 -11.088 2.938 1.901 118 HG11 VAL 17 HG11 VAL 17 -10.609 3.459 -0.609 119 HG12 VAL 17 HG12 VAL 17 -11.663 2.106 -0.219 120 HG13 VAL 17 HG13 VAL 17 -9.984 1.815 -0.670 121 HG21 VAL 17 HG21 VAL 17 -10.709 0.650 2.151 122 HG22 VAL 17 HG22 VAL 17 -9.177 1.306 2.714 123 HG23 VAL 17 HG23 VAL 17 -9.308 0.647 1.079 124 H VAL 18 HN VAL 18 -9.184 5.125 -0.517 125 HA VAL 18 HA VAL 18 -7.491 3.614 -2.274 126 HB VAL 18 HB VAL 18 -8.541 6.453 -2.374 127 HG11 VAL 18 HG11 VAL 18 -6.550 6.558 -3.654 128 HG12 VAL 18 HG12 VAL 18 -7.801 6.218 -4.847 129 HG13 VAL 18 HG13 VAL 18 -6.753 4.922 -4.273 130 HG21 VAL 18 HG21 VAL 18 -9.856 5.406 -4.294 131 HG22 VAL 18 HG22 VAL 18 -10.286 4.829 -2.684 132 HG23 VAL 18 HG23 VAL 18 -9.267 3.841 -3.731 133 H LYS 19 HN LYS 19 -7.177 6.475 -0.260 134 HA LYS 19 HA LYS 19 -4.520 7.159 -0.905 135 HB2 LYS 19 HB2 LYS 19 -6.062 8.705 0.174 136 HB3 LYS 19 HB1 LYS 19 -6.098 7.694 1.616 137 HG2 LYS 19 HG2 LYS 19 -4.553 9.566 1.948 138 HG3 LYS 19 HG1 LYS 19 -3.650 8.053 1.903 139 HD2 LYS 19 HD2 LYS 19 -2.956 8.446 -0.371 140 HD3 LYS 19 HD1 LYS 19 -4.048 9.823 -0.523 141 HE2 LYS 19 HE2 LYS 19 -1.758 10.612 -0.138 142 HE3 LYS 19 HE1 LYS 19 -2.773 11.004 1.251 143 HZ1 LYS 19 HZ1 LYS 19 -0.724 10.080 2.022 144 HZ2 LYS 19 HZ2 LYS 19 -0.889 8.723 1.012 145 HZ3 LYS 19 HZ3 LYS 19 -1.955 8.951 2.314 146 H VAL 20 HN VAL 20 -5.749 5.123 1.797 147 HA VAL 20 HA VAL 20 -3.243 4.836 3.058 148 HB VAL 20 HB VAL 20 -4.306 3.028 4.271 149 HG11 VAL 20 HG11 VAL 20 -4.716 5.422 4.823 150 HG12 VAL 20 HG12 VAL 20 -6.068 4.382 5.266 151 HG13 VAL 20 HG13 VAL 20 -6.160 5.376 3.812 152 HG21 VAL 20 HG21 VAL 20 -6.273 3.246 2.009 153 HG22 VAL 20 HG22 VAL 20 -6.884 2.815 3.586 154 HG23 VAL 20 HG23 VAL 20 -5.675 1.799 2.805 155 H VAL 21 HN VAL 21 -4.894 2.743 0.719 156 HA VAL 21 HA VAL 21 -2.950 0.696 0.871 157 HB VAL 21 HB VAL 21 -4.815 1.398 -1.388 158 HG11 VAL 21 HG11 VAL 21 -2.693 -0.762 -1.111 159 HG12 VAL 21 HG12 VAL 21 -3.044 0.287 -2.487 160 HG13 VAL 21 HG13 VAL 21 -4.158 -1.026 -2.090 161 HG21 VAL 21 HG21 VAL 21 -6.088 0.536 0.399 162 HG22 VAL 21 HG22 VAL 21 -4.794 -0.536 0.940 163 HG23 VAL 21 HG23 VAL 21 -5.708 -0.923 -0.512 164 H GLU 22 HN GLU 22 -3.153 3.473 -1.415 165 HA GLU 22 HA GLU 22 -0.790 2.782 -2.787 166 HB2 GLU 22 HB2 GLU 22 -2.251 5.405 -2.461 167 HB3 GLU 22 HB1 GLU 22 -0.844 5.208 -3.504 168 HG2 GLU 22 HG2 GLU 22 -3.433 3.642 -3.720 169 HG3 GLU 22 HG1 GLU 22 -2.927 4.950 -4.790 170 H SER 23 HN SER 23 -1.332 4.822 0.077 171 HA SER 23 HA SER 23 1.332 5.854 0.203 172 HB2 SER 23 HB2 SER 23 -0.510 6.868 1.487 173 HB3 SER 23 HB1 SER 23 -0.677 5.389 2.428 174 HG SER 23 HG SER 23 1.257 7.380 2.523 175 H GLN 24 HN GLN 24 -0.331 3.204 1.743 176 HA GLN 24 HA GLN 24 1.824 2.099 3.175 177 HB2 GLN 24 HB2 GLN 24 -0.579 1.501 3.532 178 HB3 GLN 24 HB1 GLN 24 -0.532 0.591 2.020 179 HG2 GLN 24 HG2 GLN 24 -0.134 -0.920 3.906 180 HG3 GLN 24 HG1 GLN 24 1.328 -0.778 2.928 181 HE21 GLN 24 HE21 GLN 24 3.136 -0.634 4.247 182 HE22 GLN 24 HE22 GLN 24 3.201 0.201 5.723 183 H ALA 25 HN ALA 25 0.633 1.554 -0.071 184 HA ALA 25 HA ALA 25 2.156 -0.668 -0.766 185 HB1 ALA 25 HB1 ALA 25 1.607 1.618 -2.647 186 HB2 ALA 25 HB2 ALA 25 0.397 0.413 -2.208 187 HB3 ALA 25 HB3 ALA 25 1.867 -0.076 -3.058 188 H GLU 26 HN GLU 26 2.899 2.816 -1.192 189 HA GLU 26 HA GLU 26 5.506 2.517 -2.126 190 HB2 GLU 26 HB2 GLU 26 4.175 4.564 -2.416 191 HB3 GLU 26 HB1 GLU 26 4.231 4.844 -0.675 192 HG2 GLU 26 HG2 GLU 26 6.676 4.996 -0.753 193 HG3 GLU 26 HG1 GLU 26 6.658 4.654 -2.480 194 H LEU 27 HN LEU 27 4.180 2.898 1.136 195 HA LEU 27 HA LEU 27 6.667 3.332 2.396 196 HB2 LEU 27 HB2 LEU 27 4.536 3.699 3.583 197 HB3 LEU 27 HB1 LEU 27 4.214 1.964 3.535 198 HG LEU 27 HG LEU 27 6.337 1.568 4.781 199 HD11 LEU 27 HD11 LEU 27 7.288 3.644 5.949 200 HD12 LEU 27 HD12 LEU 27 6.409 4.588 4.746 201 HD13 LEU 27 HD13 LEU 27 7.665 3.459 4.237 202 HD21 LEU 27 HD21 LEU 27 4.045 1.934 5.889 203 HD22 LEU 27 HD22 LEU 27 4.608 3.561 6.271 204 HD23 LEU 27 HD23 LEU 27 5.455 2.159 6.924 205 H TYR 28 HN TYR 28 4.880 0.401 1.572 206 HA TYR 28 HA TYR 28 6.684 -1.382 2.793 207 HB2 TYR 28 HB2 TYR 28 4.529 -2.230 2.191 208 HB3 TYR 28 HB1 TYR 28 4.776 -1.887 0.480 209 HD1 TYR 28 HD1 TYR 28 6.023 -3.889 3.363 210 HD2 TYR 28 HD2 TYR 28 5.991 -3.410 -0.907 211 HE1 TYR 28 HE1 TYR 28 7.125 -6.094 3.106 212 HE2 TYR 28 HE2 TYR 28 7.093 -5.615 -1.164 213 HH TYR 28 HH TYR 28 7.467 -7.803 1.506 214 H GLU 29 HN GLU 29 6.474 0.080 -0.460 215 HA GLU 29 HA GLU 29 8.697 -1.230 -1.535 216 HB2 GLU 29 HB2 GLU 29 7.485 1.489 -2.044 217 HB3 GLU 29 HB1 GLU 29 8.773 0.788 -3.029 218 HG2 GLU 29 HG2 GLU 29 7.429 -1.093 -3.596 219 HG3 GLU 29 HG1 GLU 29 6.218 -0.637 -2.397 220 H LEU 30 HN LEU 30 8.386 1.485 0.702 221 HA LEU 30 HA LEU 30 11.097 2.369 0.341 222 HB2 LEU 30 HB2 LEU 30 9.468 3.830 1.491 223 HB3 LEU 30 HB1 LEU 30 9.293 2.630 2.774 224 HG LEU 30 HG LEU 30 11.702 2.855 3.304 225 HD11 LEU 30 HD11 LEU 30 11.583 4.916 1.091 226 HD12 LEU 30 HD12 LEU 30 12.641 3.509 1.199 227 HD13 LEU 30 HD13 LEU 30 12.879 4.875 2.290 228 HD21 LEU 30 HD21 LEU 30 10.292 5.540 3.231 229 HD22 LEU 30 HD22 LEU 30 11.555 5.043 4.360 230 HD23 LEU 30 HD23 LEU 30 9.965 4.279 4.421 231 H LYS 31 HN LYS 31 9.363 0.214 2.551 232 HA LYS 31 HA LYS 31 11.546 -0.708 4.061 233 HB2 LYS 31 HB2 LYS 31 9.222 -1.313 4.617 234 HB3 LYS 31 HB1 LYS 31 9.142 -2.330 3.181 235 HG2 LYS 31 HG2 LYS 31 10.988 -3.709 4.023 236 HG3 LYS 31 HG1 LYS 31 11.115 -2.682 5.451 237 HD2 LYS 31 HD2 LYS 31 8.827 -3.287 6.112 238 HD3 LYS 31 HD1 LYS 31 8.663 -4.286 4.667 239 HE2 LYS 31 HE2 LYS 31 9.237 -5.692 6.593 240 HE3 LYS 31 HE1 LYS 31 10.569 -5.679 5.436 241 HZ1 LYS 31 HZ1 LYS 31 10.562 -3.653 7.547 242 HZ2 LYS 31 HZ2 LYS 31 11.871 -4.432 6.797 243 HZ3 LYS 31 HZ3 LYS 31 10.964 -5.242 7.984 244 H ASN 32 HN ASN 32 10.168 -1.942 1.053 245 HA ASN 32 HA ASN 32 12.800 -3.156 0.396 246 HB2 ASN 32 HB2 ASN 32 10.051 -4.372 0.060 247 HB3 ASN 32 HB1 ASN 32 11.484 -4.980 -0.766 248 HD21 ASN 32 HD21 ASN 32 10.011 -6.538 1.185 249 HD22 ASN 32 HD22 ASN 32 11.036 -6.790 2.516 250 H THR 33 HN THR 33 13.440 -1.618 -1.077 251 HA THR 33 HA THR 33 11.619 -0.489 -2.992 252 HB THR 33 HB THR 33 13.630 0.685 -2.039 253 HG1 THR 33 HG1 THR 33 13.532 0.415 -4.860 254 HG21 THR 33 HG21 THR 33 15.173 -0.951 -4.056 255 HG22 THR 33 HG22 THR 33 15.113 -1.369 -2.345 256 HG23 THR 33 HG23 THR 33 15.813 0.168 -2.853 257 H ASN 34 HN ASN 34 13.438 -3.390 -2.921 258 HA ASN 34 HA ASN 34 14.178 -3.656 -5.617 259 HB2 ASN 34 HB2 ASN 34 13.436 -5.689 -3.515 260 HB3 ASN 34 HB1 ASN 34 14.047 -6.135 -5.108 261 HD21 ASN 34 HD21 ASN 34 15.469 -6.654 -2.615 262 HD22 ASN 34 HD22 ASN 34 16.904 -5.748 -2.658 263 H GLU 35 HN GLU 35 11.143 -4.594 -3.981 264 HA GLU 35 HA GLU 35 9.978 -5.218 -6.617 265 HB2 GLU 35 HB2 GLU 35 9.143 -5.997 -3.816 266 HB3 GLU 35 HB1 GLU 35 8.219 -6.382 -5.268 267 HG2 GLU 35 HG2 GLU 35 10.127 -7.623 -6.182 268 HG3 GLU 35 HG1 GLU 35 11.094 -7.204 -4.768 269 H LYS 36 HN LYS 36 7.335 -4.958 -6.231 270 HA LYS 36 HA LYS 36 6.925 -2.163 -5.402 271 HB2 LYS 36 HB2 LYS 36 6.238 -3.552 -7.920 272 HB3 LYS 36 HB1 LYS 36 4.910 -2.660 -7.176 273 HG2 LYS 36 HG2 LYS 36 6.098 -1.168 -8.688 274 HG3 LYS 36 HG1 LYS 36 6.412 -0.657 -7.030 275 HD2 LYS 36 HD2 LYS 36 8.565 -1.821 -7.049 276 HD3 LYS 36 HD1 LYS 36 8.250 -2.419 -8.676 277 HE2 LYS 36 HE2 LYS 36 8.172 -0.101 -9.514 278 HE3 LYS 36 HE1 LYS 36 8.486 0.499 -7.886 279 HZ1 LYS 36 HZ1 LYS 36 10.570 0.450 -8.855 280 HZ2 LYS 36 HZ2 LYS 36 10.279 -1.007 -9.679 281 HZ3 LYS 36 HZ3 LYS 36 10.532 -1.013 -7.999 282 H ALA 37 HN ALA 37 5.588 -2.143 -3.685 283 HA ALA 37 HA ALA 37 4.421 -4.351 -2.579 284 HB1 ALA 37 HB1 ALA 37 3.244 -1.614 -2.287 285 HB2 ALA 37 HB2 ALA 37 4.807 -2.030 -1.582 286 HB3 ALA 37 HB3 ALA 37 3.355 -2.898 -1.080 287 H SER 38 HN SER 38 2.373 -5.153 -2.419 288 HA SER 38 HA SER 38 0.474 -4.214 -4.469 289 HB2 SER 38 HB2 SER 38 0.009 -6.487 -5.169 290 HB3 SER 38 HB1 SER 38 1.728 -6.165 -5.373 291 HG SER 38 HG SER 38 1.009 -8.191 -4.251 292 H LEU 39 HN LEU 39 -1.671 -4.911 -4.088 293 HA LEU 39 HA LEU 39 -2.614 -4.433 -1.544 294 HB2 LEU 39 HB2 LEU 39 -3.825 -4.659 -3.836 295 HB3 LEU 39 HB1 LEU 39 -4.015 -6.349 -3.373 296 HG LEU 39 HG LEU 39 -4.677 -4.440 -1.240 297 HD11 LEU 39 HD11 LEU 39 -5.442 -3.220 -3.251 298 HD12 LEU 39 HD12 LEU 39 -6.786 -3.779 -2.290 299 HD13 LEU 39 HD13 LEU 39 -6.341 -4.637 -3.752 300 HD21 LEU 39 HD21 LEU 39 -5.056 -6.914 -1.191 301 HD22 LEU 39 HD22 LEU 39 -6.175 -6.741 -2.542 302 HD23 LEU 39 HD23 LEU 39 -6.549 -6.003 -0.986 303 H SER 40 HN SER 40 -2.113 -7.533 -3.127 304 HA SER 40 HA SER 40 -2.898 -9.162 -0.960 305 HB2 SER 40 HB2 SER 40 -2.702 -10.032 -3.242 306 HB3 SER 40 HB1 SER 40 -0.962 -9.758 -3.210 307 HG SER 40 HG SER 40 -0.712 -11.428 -1.908 308 H LYS 41 HN LYS 41 0.261 -7.891 -1.944 309 HA LYS 41 HA LYS 41 1.741 -9.282 -0.030 310 HB2 LYS 41 HB2 LYS 41 2.346 -6.848 -1.633 311 HB3 LYS 41 HB1 LYS 41 3.501 -7.530 -0.491 312 HG2 LYS 41 HG2 LYS 41 3.509 -9.642 -1.655 313 HG3 LYS 41 HG1 LYS 41 2.180 -9.137 -2.692 314 HD2 LYS 41 HD2 LYS 41 4.225 -8.915 -3.963 315 HD3 LYS 41 HD1 LYS 41 3.667 -7.292 -3.564 316 HE2 LYS 41 HE2 LYS 41 6.063 -7.438 -3.146 317 HE3 LYS 41 HE1 LYS 41 5.223 -7.286 -1.605 318 HZ1 LYS 41 HZ1 LYS 41 5.589 -9.481 -1.084 319 HZ2 LYS 41 HZ2 LYS 41 7.026 -9.091 -1.901 320 HZ3 LYS 41 HZ3 LYS 41 5.800 -9.955 -2.698 321 H LEU 42 HN LEU 42 0.661 -5.886 0.109 322 HA LEU 42 HA LEU 42 1.836 -5.272 2.518 323 HB2 LEU 42 HB2 LEU 42 -0.875 -4.370 1.468 324 HB3 LEU 42 HB1 LEU 42 0.045 -3.577 2.745 325 HG LEU 42 HG LEU 42 1.001 -3.932 -0.105 326 HD11 LEU 42 HD11 LEU 42 -0.984 -2.322 0.386 327 HD12 LEU 42 HD12 LEU 42 0.400 -1.676 -0.488 328 HD13 LEU 42 HD13 LEU 42 0.210 -1.337 1.233 329 HD21 LEU 42 HD21 LEU 42 2.899 -3.810 1.309 330 HD22 LEU 42 HD22 LEU 42 2.143 -2.618 2.367 331 HD23 LEU 42 HD23 LEU 42 2.662 -2.157 0.747 332 H VAL 43 HN VAL 43 -1.171 -6.605 1.635 333 HA VAL 43 HA VAL 43 -2.140 -6.561 4.229 334 HB VAL 43 HB VAL 43 -3.335 -6.733 1.913 335 HG11 VAL 43 HG11 VAL 43 -4.557 -8.854 1.740 336 HG12 VAL 43 HG12 VAL 43 -3.643 -9.498 3.103 337 HG13 VAL 43 HG13 VAL 43 -2.820 -9.126 1.587 338 HG21 VAL 43 HG21 VAL 43 -4.250 -5.944 4.043 339 HG22 VAL 43 HG22 VAL 43 -4.429 -7.615 4.592 340 HG23 VAL 43 HG23 VAL 43 -5.399 -7.020 3.249 341 H SER 44 HN SER 44 -0.756 -9.378 2.363 342 HA SER 44 HA SER 44 -1.260 -11.005 4.512 343 HB2 SER 44 HB2 SER 44 -0.520 -11.913 2.346 344 HB3 SER 44 HB1 SER 44 1.027 -11.089 2.530 345 HG SER 44 HG SER 44 1.530 -12.422 4.203 346 H SER 45 HN SER 45 1.375 -8.969 3.557 347 HA SER 45 HA SER 45 3.204 -9.123 5.658 348 HB2 SER 45 HB2 SER 45 3.631 -7.932 3.570 349 HB3 SER 45 HB1 SER 45 2.455 -6.703 4.025 350 HG SER 45 HG SER 45 5.038 -7.045 4.822 351 H GLY 46 HN GLY 46 0.071 -8.492 6.289 352 HA2 GLY 46 HA2 GLY 46 -1.181 -7.110 7.597 353 HA3 GLY 46 HA1 GLY 46 -0.051 -7.704 8.809 354 H ASN 47 HN ASN 47 0.675 -5.578 6.114 355 HA ASN 47 HA ASN 47 1.900 -3.525 7.714 356 HB2 ASN 47 HB2 ASN 47 0.956 -3.682 4.839 357 HB3 ASN 47 HB1 ASN 47 1.669 -2.223 5.513 358 HD21 ASN 47 HD21 ASN 47 3.827 -3.062 6.955 359 HD22 ASN 47 HD22 ASN 47 4.888 -3.987 6.009 360 H ILE 48 HN ILE 48 -1.101 -4.227 6.175 361 HA ILE 48 HA ILE 48 -2.568 -2.241 7.727 362 HB ILE 48 HB ILE 48 -3.954 -1.911 5.599 363 HG12 ILE 48 HG12 ILE 48 -1.447 -2.902 4.236 364 HG13 ILE 48 HG11 ILE 48 -2.825 -3.957 4.499 365 HG21 ILE 48 HG21 ILE 48 -2.531 -0.132 6.333 366 HG22 ILE 48 HG22 ILE 48 -2.241 -0.339 4.605 367 HG23 ILE 48 HG23 ILE 48 -1.090 -0.980 5.775 368 HD11 ILE 48 HD11 ILE 48 -3.034 -2.994 2.286 369 HD12 ILE 48 HD12 ILE 48 -2.777 -1.370 2.923 370 HD13 ILE 48 HD13 ILE 48 -4.257 -2.246 3.313 371 H SER 49 HN SER 49 -5.075 -2.949 6.729 372 HA SER 49 HA SER 49 -5.153 -5.876 7.153 373 HB2 SER 49 HB2 SER 49 -7.185 -5.592 8.501 374 HB3 SER 49 HB1 SER 49 -5.816 -4.757 9.231 375 HG SER 49 HG SER 49 -8.098 -3.715 8.698 376 H GLN 50 HN GLN 50 -6.729 -6.979 6.082 377 HA GLN 50 HA GLN 50 -7.374 -6.212 3.549 378 HB2 GLN 50 HB2 GLN 50 -8.264 -8.380 5.297 379 HB3 GLN 50 HB1 GLN 50 -9.366 -7.961 3.985 380 HG2 GLN 50 HG2 GLN 50 -7.247 -7.964 2.488 381 HG3 GLN 50 HG1 GLN 50 -6.510 -8.870 3.804 382 HE21 GLN 50 HE21 GLN 50 -8.165 -9.255 0.944 383 HE22 GLN 50 HE22 GLN 50 -8.841 -10.782 1.215 384 H LYS 51 HN LYS 51 -8.794 -4.643 6.085 385 HA LYS 51 HA LYS 51 -11.445 -4.457 4.914 386 HB2 LYS 51 HB2 LYS 51 -11.945 -2.928 6.684 387 HB3 LYS 51 HB1 LYS 51 -10.879 -4.143 7.373 388 HG2 LYS 51 HG2 LYS 51 -8.957 -2.652 7.155 389 HG3 LYS 51 HG1 LYS 51 -9.991 -1.417 6.441 390 HD2 LYS 51 HD2 LYS 51 -11.343 -1.342 8.501 391 HD3 LYS 51 HD1 LYS 51 -10.304 -2.572 9.225 392 HE2 LYS 51 HE2 LYS 51 -8.362 -1.069 9.004 393 HE3 LYS 51 HE1 LYS 51 -9.392 0.160 8.272 394 HZ1 LYS 51 HZ1 LYS 51 -9.061 0.548 10.641 395 HZ2 LYS 51 HZ2 LYS 51 -9.735 -0.971 10.996 396 HZ3 LYS 51 HZ3 LYS 51 -10.693 0.243 10.293 397 H GLN 52 HN GLN 52 -8.479 -2.828 5.252 398 HA GLN 52 HA GLN 52 -8.953 -0.637 3.488 399 HB2 GLN 52 HB2 GLN 52 -6.675 -1.797 4.983 400 HB3 GLN 52 HB1 GLN 52 -6.260 -0.917 3.531 401 HG2 GLN 52 HG2 GLN 52 -7.307 1.078 4.329 402 HG3 GLN 52 HG1 GLN 52 -8.104 0.205 5.638 403 HE21 GLN 52 HE21 GLN 52 -4.865 1.292 4.507 404 HE22 GLN 52 HE22 GLN 52 -4.153 1.226 6.047 405 H ALA 53 HN ALA 53 -7.042 -3.673 3.278 406 HA ALA 53 HA ALA 53 -6.419 -3.364 0.559 407 HB1 ALA 53 HB1 ALA 53 -5.364 -5.354 0.747 408 HB2 ALA 53 HB2 ALA 53 -6.730 -6.133 1.548 409 HB3 ALA 53 HB3 ALA 53 -5.654 -5.073 2.460 410 H ASP 54 HN ASP 54 -9.219 -5.034 1.986 411 HA ASP 54 HA ASP 54 -10.039 -6.147 -0.469 412 HB2 ASP 54 HB2 ASP 54 -11.643 -5.435 1.958 413 HB3 ASP 54 HB1 ASP 54 -12.348 -6.231 0.558 414 H SER 55 HN SER 55 -10.807 -2.973 0.893 415 HA SER 55 HA SER 55 -12.771 -2.412 -1.081 416 HB2 SER 55 HB2 SER 55 -11.025 -0.612 0.562 417 HB3 SER 55 HB1 SER 55 -12.333 -0.034 -0.455 418 HG SER 55 HG SER 55 -12.546 -0.795 1.995 419 H TYR 56 HN TYR 56 -9.192 -1.838 -0.927 420 HA TYR 56 HA TYR 56 -9.265 -0.454 -3.435 421 HB2 TYR 56 HB2 TYR 56 -7.492 -0.413 -1.482 422 HB3 TYR 56 HB1 TYR 56 -6.760 -1.704 -2.426 423 HD1 TYR 56 HD1 TYR 56 -8.476 1.548 -3.182 424 HD2 TYR 56 HD2 TYR 56 -5.066 -0.972 -3.868 425 HE1 TYR 56 HE1 TYR 56 -7.540 3.241 -4.721 426 HE2 TYR 56 HE2 TYR 56 -4.133 0.738 -5.405 427 HH TYR 56 HH TYR 56 -4.334 3.185 -5.782 428 H LYS 57 HN LYS 57 -8.968 -3.744 -2.425 429 HA LYS 57 HA LYS 57 -7.991 -4.899 -4.816 430 HB2 LYS 57 HB2 LYS 57 -8.171 -6.120 -2.660 431 HB3 LYS 57 HB1 LYS 57 -9.923 -6.060 -2.803 432 HG2 LYS 57 HG2 LYS 57 -9.815 -7.316 -4.913 433 HG3 LYS 57 HG1 LYS 57 -8.051 -7.363 -4.801 434 HD2 LYS 57 HD2 LYS 57 -8.215 -8.613 -2.681 435 HD3 LYS 57 HD1 LYS 57 -9.975 -8.566 -2.786 436 HE2 LYS 57 HE2 LYS 57 -9.889 -9.818 -4.909 437 HE3 LYS 57 HE1 LYS 57 -8.129 -9.860 -4.815 438 HZ1 LYS 57 HZ1 LYS 57 -8.156 -11.366 -3.134 439 HZ2 LYS 57 HZ2 LYS 57 -9.604 -11.816 -3.901 440 HZ3 LYS 57 HZ3 LYS 57 -9.644 -10.837 -2.512 441 H ALA 58 HN ALA 58 -11.126 -3.881 -3.666 442 HA ALA 58 HA ALA 58 -12.652 -4.996 -5.770 443 HB1 ALA 58 HB1 ALA 58 -13.024 -3.144 -3.498 444 HB2 ALA 58 HB2 ALA 58 -14.079 -4.424 -4.096 445 HB3 ALA 58 HB3 ALA 58 -14.086 -2.842 -4.875 446 H TYR 59 HN TYR 59 -10.463 -2.248 -5.578 447 HA TYR 59 HA TYR 59 -11.697 -0.700 -7.635 448 HB2 TYR 59 HB2 TYR 59 -9.947 0.248 -6.149 449 HB3 TYR 59 HB1 TYR 59 -8.772 -0.860 -6.854 450 HD1 TYR 59 HD1 TYR 59 -11.143 1.885 -7.706 451 HD2 TYR 59 HD2 TYR 59 -7.689 -0.374 -8.894 452 HE1 TYR 59 HE1 TYR 59 -10.759 3.460 -9.582 453 HE2 TYR 59 HE2 TYR 59 -7.304 1.201 -10.770 454 HH TYR 59 HH TYR 59 -8.698 2.795 -12.146 455 H TYR 60 HN TYR 60 -9.208 -3.258 -7.520 456 HA TYR 60 HA TYR 60 -8.673 -3.402 -10.320 457 HB2 TYR 60 HB2 TYR 60 -7.146 -4.446 -8.782 458 HB3 TYR 60 HB1 TYR 60 -8.444 -5.383 -8.038 459 HD1 TYR 60 HD1 TYR 60 -6.503 -4.947 -11.191 460 HD2 TYR 60 HD2 TYR 60 -9.151 -7.454 -8.947 461 HE1 TYR 60 HE1 TYR 60 -6.147 -6.768 -12.828 462 HE2 TYR 60 HE2 TYR 60 -8.796 -9.287 -10.577 463 HH TYR 60 HH TYR 60 -7.274 -9.999 -12.240 464 H GLY 61 HN GLY 61 -10.710 -5.195 -8.118 465 HA2 GLY 61 HA2 GLY 61 -11.860 -7.047 -9.786 466 HA3 GLY 61 HA1 GLY 61 -12.582 -6.392 -8.329 467 H LYS 62 HN LYS 62 -13.207 -3.877 -8.937 468 HA LYS 62 HA LYS 62 -15.603 -4.096 -10.323 469 HB2 LYS 62 HB2 LYS 62 -15.088 -2.382 -8.603 470 HB3 LYS 62 HB1 LYS 62 -14.074 -1.549 -9.783 471 HG2 LYS 62 HG2 LYS 62 -15.939 -1.115 -11.222 472 HG3 LYS 62 HG1 LYS 62 -16.975 -2.228 -10.329 473 HD2 LYS 62 HD2 LYS 62 -17.638 -0.093 -9.561 474 HD3 LYS 62 HD1 LYS 62 -16.557 -0.682 -8.300 475 HE2 LYS 62 HE2 LYS 62 -15.905 1.580 -8.760 476 HE3 LYS 62 HE1 LYS 62 -14.680 0.543 -9.496 477 HZ1 LYS 62 HZ1 LYS 62 -17.034 1.505 -11.009 478 HZ2 LYS 62 HZ2 LYS 62 -15.579 0.868 -11.613 479 HZ3 LYS 62 HZ3 LYS 62 -15.607 2.414 -10.907 480 H HIS 63 HN HIS 63 -12.497 -2.778 -11.457 481 HA HIS 63 HA HIS 63 -13.694 -2.332 -14.104 482 HB2 HIS 63 HB2 HIS 63 -10.969 -1.581 -13.027 483 HB3 HIS 63 HB1 HIS 63 -11.597 -1.164 -14.623 484 HD1 HIS 63 HD1 HIS 63 -12.018 -0.376 -10.976 485 HD2 HIS 63 HD2 HIS 63 -13.502 0.935 -14.644 486 HE1 HIS 63 HE1 HIS 63 -13.247 1.788 -10.517 487 HE2 HIS 63 HE2 HIS 63 -14.161 2.600 -12.743 488 H SER 64 HN SER 64 -12.674 -3.061 -16.017 489 HA SER 64 HA SER 64 -10.966 -5.451 -15.667 490 HB2 SER 64 HB2 SER 64 -13.058 -4.960 -17.799 491 HB3 SER 64 HB1 SER 64 -11.932 -6.312 -17.752 492 HG SER 64 HG SER 64 -13.927 -6.891 -16.829 493 H GLY 65 HN GLY 65 -9.284 -5.710 -17.165 494 HA2 GLY 65 HA2 GLY 65 -7.802 -5.082 -18.850 495 HA3 GLY 65 HA1 GLY 65 -8.890 -3.753 -19.268 496 H GLU 66 HN GLU 66 -8.518 -3.669 -15.983 497 HA GLU 66 HA GLU 66 -6.006 -2.158 -15.977 498 HB2 GLU 66 HB2 GLU 66 -7.001 -0.182 -14.961 499 HB3 GLU 66 HB1 GLU 66 -7.752 -0.486 -16.526 500 HG2 GLU 66 HG2 GLU 66 -9.624 -1.642 -15.377 501 HG3 GLU 66 HG1 GLU 66 -8.887 -1.254 -13.823 502 H THR 67 HN THR 67 -5.456 -1.451 -13.690 503 HA THR 67 HA THR 67 -6.649 -3.181 -11.649 504 HB THR 67 HB THR 67 -4.782 -4.424 -12.753 505 HG1 THR 67 HG1 THR 67 -4.336 -5.240 -10.875 506 HG21 THR 67 HG21 THR 67 -2.573 -3.672 -12.721 507 HG22 THR 67 HG22 THR 67 -2.878 -2.527 -11.418 508 HG23 THR 67 HG23 THR 67 -3.455 -2.179 -13.048 509 H GLN 68 HN GLN 68 -4.292 -2.658 -9.859 510 HA GLN 68 HA GLN 68 -5.060 0.051 -9.052 511 HB2 GLN 68 HB2 GLN 68 -5.169 -0.990 -7.068 512 HB3 GLN 68 HB1 GLN 68 -4.341 -2.410 -7.682 513 HG2 GLN 68 HG2 GLN 68 -2.183 -1.370 -7.284 514 HG3 GLN 68 HG1 GLN 68 -2.965 0.136 -6.809 515 HE21 GLN 68 HE21 GLN 68 -4.276 -3.036 -5.862 516 HE22 GLN 68 HE22 GLN 68 -3.902 -2.850 -4.219 517 H THR 69 HN THR 69 -3.358 1.525 -8.404 518 HA THR 69 HA THR 69 -1.443 1.921 -10.356 519 HB THR 69 HB THR 69 -1.486 2.978 -7.530 520 HG1 THR 69 HG1 THR 69 -3.297 3.619 -8.555 521 HG21 THR 69 HG21 THR 69 0.076 3.768 -9.992 522 HG22 THR 69 HG22 THR 69 0.702 3.366 -8.394 523 HG23 THR 69 HG23 THR 69 -0.184 4.872 -8.640 524 H VAL 70 HN VAL 70 -0.938 0.304 -7.158 525 HA VAL 70 HA VAL 70 1.895 0.119 -7.824 526 HB VAL 70 HB VAL 70 2.305 -0.884 -5.737 527 HG11 VAL 70 HG11 VAL 70 0.391 1.108 -4.776 528 HG12 VAL 70 HG12 VAL 70 1.290 1.656 -6.190 529 HG13 VAL 70 HG13 VAL 70 2.151 1.106 -4.762 530 HG21 VAL 70 HG21 VAL 70 0.430 -1.303 -4.124 531 HG22 VAL 70 HG22 VAL 70 0.428 -2.401 -5.507 532 HG23 VAL 70 HG23 VAL 70 -0.702 -1.053 -5.457 533 H ALA 71 HN ALA 71 2.370 -2.550 -6.679 534 HA ALA 71 HA ALA 71 2.288 -3.867 -9.089 535 HB1 ALA 71 HB1 ALA 71 3.914 -4.711 -7.703 536 HB2 ALA 71 HB2 ALA 71 2.678 -5.954 -7.517 537 HB3 ALA 71 HB3 ALA 71 2.855 -4.697 -6.296 538 H ASN 72 HN ASN 72 0.003 -4.061 -6.390 539 HA ASN 72 HA ASN 72 -2.077 -4.984 -6.202 540 HB2 ASN 72 HB2 ASN 72 -2.756 -3.692 -8.066 541 HB3 ASN 72 HB1 ASN 72 -1.884 -4.715 -9.198 542 HD21 ASN 72 HD21 ASN 72 -4.716 -4.650 -7.023 543 HD22 ASN 72 HD22 ASN 72 -5.534 -5.933 -7.796 Start of MODEL 8 1 H1 ASN 1 HT1 ASN 1 -39.911 13.159 10.457 2 H2 ASN 1 HT2 ASN 1 -39.246 12.701 8.962 3 H3 ASN 1 HT3 ASN 1 -39.024 14.282 9.544 4 HA ASN 1 HA ASN 1 -37.056 12.760 9.780 5 HB2 ASN 1 HB2 ASN 1 -37.091 14.772 11.067 6 HB3 ASN 1 HB1 ASN 1 -38.348 14.149 12.135 7 HD21 ASN 1 HD21 ASN 1 -34.902 13.763 11.261 8 HD22 ASN 1 HD22 ASN 1 -34.455 13.006 12.727 9 H LEU 2 HN LEU 2 -36.121 11.094 11.146 10 HA LEU 2 HA LEU 2 -38.149 9.146 12.068 11 HB2 LEU 2 HB2 LEU 2 -35.290 8.673 11.178 12 HB3 LEU 2 HB1 LEU 2 -36.449 7.429 11.643 13 HG LEU 2 HG LEU 2 -36.804 9.357 9.330 14 HD11 LEU 2 HD11 LEU 2 -36.263 6.377 9.259 15 HD12 LEU 2 HD12 LEU 2 -35.003 7.594 9.064 16 HD13 LEU 2 HD13 LEU 2 -36.315 7.487 7.891 17 HD21 LEU 2 HD21 LEU 2 -38.653 7.693 8.770 18 HD22 LEU 2 HD22 LEU 2 -38.957 8.713 10.175 19 HD23 LEU 2 HD23 LEU 2 -38.441 7.041 10.395 20 H THR 3 HN THR 3 -38.077 8.375 14.124 21 HA THR 3 HA THR 3 -36.565 9.798 16.082 22 HB THR 3 HB THR 3 -37.561 8.201 17.675 23 HG1 THR 3 HG1 THR 3 -38.368 6.937 15.274 24 HG21 THR 3 HG21 THR 3 -39.625 8.960 15.604 25 HG22 THR 3 HG22 THR 3 -38.850 10.154 16.644 26 HG23 THR 3 HG23 THR 3 -39.826 8.867 17.353 27 H LYS 4 HN LYS 4 -36.197 6.726 14.435 28 HA LYS 4 HA LYS 4 -33.487 6.489 15.557 29 HB2 LYS 4 HB2 LYS 4 -34.960 4.996 16.873 30 HB3 LYS 4 HB1 LYS 4 -35.476 4.207 15.384 31 HG2 LYS 4 HG2 LYS 4 -33.162 3.505 14.936 32 HG3 LYS 4 HG1 LYS 4 -32.622 4.320 16.404 33 HD2 LYS 4 HD2 LYS 4 -34.078 2.857 17.758 34 HD3 LYS 4 HD1 LYS 4 -34.617 2.037 16.291 35 HE2 LYS 4 HE2 LYS 4 -32.305 1.317 15.834 36 HE3 LYS 4 HE1 LYS 4 -31.755 2.145 17.291 37 HZ1 LYS 4 HZ1 LYS 4 -32.819 0.641 18.655 38 HZ2 LYS 4 HZ2 LYS 4 -32.293 -0.362 17.387 39 HZ3 LYS 4 HZ3 LYS 4 -33.912 0.147 17.456 40 H GLN 5 HN GLN 5 -32.034 6.174 13.967 41 HA GLN 5 HA GLN 5 -32.847 4.774 11.526 42 HB2 GLN 5 HB2 GLN 5 -33.351 7.143 11.091 43 HB3 GLN 5 HB1 GLN 5 -31.689 7.569 11.496 44 HG2 GLN 5 HG2 GLN 5 -30.873 6.128 9.659 45 HG3 GLN 5 HG1 GLN 5 -32.539 5.721 9.246 46 HE21 GLN 5 HE21 GLN 5 -33.234 6.923 7.484 47 HE22 GLN 5 HE22 GLN 5 -32.803 8.536 7.170 48 H LYS 6 HN LYS 6 -31.203 3.763 10.466 49 HA LYS 6 HA LYS 6 -28.509 4.002 11.660 50 HB2 LYS 6 HB2 LYS 6 -29.865 1.577 10.445 51 HB3 LYS 6 HB1 LYS 6 -28.182 1.630 10.971 52 HG2 LYS 6 HG2 LYS 6 -28.915 2.184 13.264 53 HG3 LYS 6 HG1 LYS 6 -30.598 2.118 12.740 54 HD2 LYS 6 HD2 LYS 6 -30.286 -0.252 12.079 55 HD3 LYS 6 HD1 LYS 6 -28.621 -0.181 12.655 56 HE2 LYS 6 HE2 LYS 6 -31.070 0.334 14.366 57 HE3 LYS 6 HE1 LYS 6 -30.146 -1.166 14.352 58 HZ1 LYS 6 HZ1 LYS 6 -28.161 0.263 14.902 59 HZ2 LYS 6 HZ2 LYS 6 -29.314 0.081 16.136 60 HZ3 LYS 6 HZ3 LYS 6 -29.255 1.516 15.230 61 H ASP 7 HN ASP 7 -26.821 4.306 10.274 62 HA ASP 7 HA ASP 7 -27.502 4.499 7.404 63 HB2 ASP 7 HB2 ASP 7 -27.160 6.681 8.474 64 HB3 ASP 7 HB1 ASP 7 -25.554 6.178 8.990 65 H ALA 8 HN ALA 8 -26.618 2.859 6.353 66 HA ALA 8 HA ALA 8 -24.456 1.293 7.237 67 HB1 ALA 8 HB1 ALA 8 -24.434 0.428 4.894 68 HB2 ALA 8 HB2 ALA 8 -25.607 1.674 4.467 69 HB3 ALA 8 HB3 ALA 8 -26.036 0.419 5.630 70 H VAL 9 HN VAL 9 -24.583 4.078 5.049 71 HA VAL 9 HA VAL 9 -21.735 3.891 4.491 72 HB VAL 9 HB VAL 9 -22.119 5.867 3.059 73 HG11 VAL 9 HG11 VAL 9 -24.164 3.655 2.705 74 HG12 VAL 9 HG12 VAL 9 -22.478 3.573 2.196 75 HG13 VAL 9 HG13 VAL 9 -23.573 4.729 1.437 76 HG21 VAL 9 HG21 VAL 9 -24.271 6.869 2.846 77 HG22 VAL 9 HG22 VAL 9 -23.990 6.751 4.583 78 HG23 VAL 9 HG23 VAL 9 -25.045 5.588 3.779 79 H SER 10 HN SER 10 -22.592 4.444 7.269 80 HA SER 10 HA SER 10 -22.228 7.158 7.942 81 HB2 SER 10 HB2 SER 10 -21.646 4.649 9.524 82 HB3 SER 10 HB1 SER 10 -21.555 6.273 10.196 83 HG SER 10 HG SER 10 -23.682 4.743 9.909 84 H ASP 11 HN ASP 11 -19.923 4.517 7.470 85 HA ASP 11 HA ASP 11 -17.619 5.798 8.427 86 HB2 ASP 11 HB2 ASP 11 -18.010 3.702 6.287 87 HB3 ASP 11 HB1 ASP 11 -16.417 4.247 6.812 88 H THR 12 HN THR 12 -16.093 7.092 7.493 89 HA THR 12 HA THR 12 -16.955 8.546 5.091 90 HB THR 12 HB THR 12 -15.346 10.266 5.825 91 HG1 THR 12 HG1 THR 12 -13.997 9.879 7.402 92 HG21 THR 12 HG21 THR 12 -16.562 10.958 7.834 93 HG22 THR 12 HG22 THR 12 -17.179 9.320 8.046 94 HG23 THR 12 HG23 THR 12 -17.686 10.281 6.656 95 H GLY 13 HN GLY 13 -15.242 5.879 5.486 96 HA2 GLY 13 HA2 GLY 13 -12.758 6.560 4.197 97 HA3 GLY 13 HA1 GLY 13 -13.346 4.941 4.507 98 H THR 14 HN THR 14 -13.241 3.910 2.675 99 HA THR 14 HA THR 14 -13.821 3.245 0.549 100 HB THR 14 HB THR 14 -15.352 5.804 0.112 101 HG1 THR 14 HG1 THR 14 -17.060 4.955 1.186 102 HG21 THR 14 HG21 THR 14 -15.084 4.303 -1.789 103 HG22 THR 14 HG22 THR 14 -16.760 4.255 -1.243 104 HG23 THR 14 HG23 THR 14 -15.660 2.941 -0.828 105 H ALA 15 HN ALA 15 -13.694 6.791 0.481 106 HA ALA 15 HA ALA 15 -11.854 6.865 -1.699 107 HB1 ALA 15 HB1 ALA 15 -12.641 8.975 0.325 108 HB2 ALA 15 HB2 ALA 15 -13.274 8.796 -1.311 109 HB3 ALA 15 HB3 ALA 15 -11.597 9.282 -1.062 110 H ALA 16 HN ALA 16 -11.651 6.998 1.763 111 HA ALA 16 HA ALA 16 -8.936 7.620 2.056 112 HB1 ALA 16 HB1 ALA 16 -9.157 6.656 4.299 113 HB2 ALA 16 HB2 ALA 16 -10.683 5.901 3.836 114 HB3 ALA 16 HB3 ALA 16 -10.557 7.658 3.917 115 H VAL 17 HN VAL 17 -10.621 4.548 1.514 116 HA VAL 17 HA VAL 17 -8.492 2.835 2.093 117 HB VAL 17 HB VAL 17 -10.952 2.312 1.282 118 HG11 VAL 17 HG11 VAL 17 -11.234 1.745 -0.964 119 HG12 VAL 17 HG12 VAL 17 -9.503 1.601 -1.256 120 HG13 VAL 17 HG13 VAL 17 -10.236 3.187 -1.086 121 HG21 VAL 17 HG21 VAL 17 -9.189 0.148 0.321 122 HG22 VAL 17 HG22 VAL 17 -10.323 0.169 1.668 123 HG23 VAL 17 HG23 VAL 17 -8.693 0.783 1.890 124 H VAL 18 HN VAL 18 -9.022 4.858 -0.698 125 HA VAL 18 HA VAL 18 -6.990 3.720 -2.345 126 HB VAL 18 HB VAL 18 -8.102 6.535 -2.239 127 HG11 VAL 18 HG11 VAL 18 -6.190 5.242 -4.200 128 HG12 VAL 18 HG12 VAL 18 -5.867 6.638 -3.173 129 HG13 VAL 18 HG13 VAL 18 -7.029 6.765 -4.493 130 HG21 VAL 18 HG21 VAL 18 -8.572 4.154 -4.059 131 HG22 VAL 18 HG22 VAL 18 -9.193 5.775 -4.374 132 HG23 VAL 18 HG23 VAL 18 -9.736 4.883 -2.952 133 H LYS 19 HN LYS 19 -7.109 6.369 -0.073 134 HA LYS 19 HA LYS 19 -4.454 7.216 -0.173 135 HB2 LYS 19 HB2 LYS 19 -6.245 8.500 0.880 136 HB3 LYS 19 HB1 LYS 19 -6.342 7.316 2.184 137 HG2 LYS 19 HG2 LYS 19 -3.983 7.791 2.784 138 HG3 LYS 19 HG1 LYS 19 -3.910 8.997 1.498 139 HD2 LYS 19 HD2 LYS 19 -5.923 9.100 3.759 140 HD3 LYS 19 HD1 LYS 19 -4.370 9.932 3.808 141 HE2 LYS 19 HE2 LYS 19 -4.983 11.123 1.702 142 HE3 LYS 19 HE1 LYS 19 -6.567 10.353 1.759 143 HZ1 LYS 19 HZ1 LYS 19 -6.260 12.683 2.783 144 HZ2 LYS 19 HZ2 LYS 19 -5.573 11.845 4.092 145 HZ3 LYS 19 HZ3 LYS 19 -7.175 11.528 3.622 146 H VAL 20 HN VAL 20 -5.835 4.722 2.079 147 HA VAL 20 HA VAL 20 -3.398 4.436 3.507 148 HB VAL 20 HB VAL 20 -4.398 2.355 4.339 149 HG11 VAL 20 HG11 VAL 20 -4.853 4.447 5.462 150 HG12 VAL 20 HG12 VAL 20 -6.357 3.528 5.403 151 HG13 VAL 20 HG13 VAL 20 -6.096 4.863 4.281 152 HG21 VAL 20 HG21 VAL 20 -6.396 2.971 2.169 153 HG22 VAL 20 HG22 VAL 20 -6.961 2.219 3.632 154 HG23 VAL 20 HG23 VAL 20 -5.746 1.414 2.644 155 H VAL 21 HN VAL 21 -4.836 2.477 0.998 156 HA VAL 21 HA VAL 21 -2.751 0.595 0.852 157 HB VAL 21 HB VAL 21 -4.679 1.433 -1.291 158 HG11 VAL 21 HG11 VAL 21 -2.553 -0.741 -1.239 159 HG12 VAL 21 HG12 VAL 21 -2.732 0.554 -2.424 160 HG13 VAL 21 HG13 VAL 21 -3.915 -0.744 -2.364 161 HG21 VAL 21 HG21 VAL 21 -5.410 -1.033 -0.643 162 HG22 VAL 21 HG22 VAL 21 -5.905 0.316 0.366 163 HG23 VAL 21 HG23 VAL 21 -4.545 -0.694 0.846 164 H GLU 22 HN GLU 22 -3.187 3.535 -1.153 165 HA GLU 22 HA GLU 22 -0.805 3.147 -2.617 166 HB2 GLU 22 HB2 GLU 22 -2.529 5.568 -2.122 167 HB3 GLU 22 HB1 GLU 22 -1.116 5.592 -3.182 168 HG2 GLU 22 HG2 GLU 22 -2.059 3.884 -4.600 169 HG3 GLU 22 HG1 GLU 22 -3.390 3.608 -3.473 170 H SER 23 HN SER 23 -1.409 4.611 0.485 171 HA SER 23 HA SER 23 1.141 6.025 0.590 172 HB2 SER 23 HB2 SER 23 -0.771 5.272 2.803 173 HB3 SER 23 HB1 SER 23 0.643 6.295 3.004 174 HG SER 23 HG SER 23 -1.121 7.611 2.650 175 H GLN 24 HN GLN 24 -0.236 3.151 2.091 176 HA GLN 24 HA GLN 24 2.135 2.203 3.288 177 HB2 GLN 24 HB2 GLN 24 -0.407 0.777 2.472 178 HB3 GLN 24 HB1 GLN 24 0.882 0.027 3.420 179 HG2 GLN 24 HG2 GLN 24 -0.645 2.533 4.198 180 HG3 GLN 24 HG1 GLN 24 -0.892 0.931 4.888 181 HE21 GLN 24 HE21 GLN 24 0.387 3.723 5.819 182 HE22 GLN 24 HE22 GLN 24 1.753 3.196 6.678 183 H ALA 25 HN ALA 25 0.653 1.649 0.209 184 HA ALA 25 HA ALA 25 2.132 -0.462 -0.786 185 HB1 ALA 25 HB1 ALA 25 0.516 0.159 -2.290 186 HB2 ALA 25 HB2 ALA 25 1.904 0.946 -3.041 187 HB3 ALA 25 HB3 ALA 25 0.793 1.880 -2.041 188 H GLU 26 HN GLU 26 2.845 3.030 -0.859 189 HA GLU 26 HA GLU 26 5.343 2.895 -2.114 190 HB2 GLU 26 HB2 GLU 26 3.978 4.933 -2.014 191 HB3 GLU 26 HB1 GLU 26 4.153 4.976 -0.256 192 HG2 GLU 26 HG2 GLU 26 6.583 5.210 -0.485 193 HG3 GLU 26 HG1 GLU 26 6.451 5.088 -2.236 194 H LEU 27 HN LEU 27 4.259 2.806 1.184 195 HA LEU 27 HA LEU 27 6.813 3.083 2.419 196 HB2 LEU 27 HB2 LEU 27 4.751 3.387 3.717 197 HB3 LEU 27 HB1 LEU 27 4.333 1.691 3.468 198 HG LEU 27 HG LEU 27 6.438 1.027 4.618 199 HD11 LEU 27 HD11 LEU 27 7.568 2.877 5.964 200 HD12 LEU 27 HD12 LEU 27 6.708 4.022 4.935 201 HD13 LEU 27 HD13 LEU 27 7.867 2.897 4.226 202 HD21 LEU 27 HD21 LEU 27 4.279 1.291 5.863 203 HD22 LEU 27 HD22 LEU 27 4.748 2.944 6.258 204 HD23 LEU 27 HD23 LEU 27 5.693 1.589 6.875 205 H TYR 28 HN TYR 28 4.889 0.274 1.520 206 HA TYR 28 HA TYR 28 6.708 -1.657 2.444 207 HB2 TYR 28 HB2 TYR 28 4.262 -2.102 1.921 208 HB3 TYR 28 HB1 TYR 28 4.686 -2.067 0.211 209 HD1 TYR 28 HD1 TYR 28 4.882 -3.943 3.329 210 HD2 TYR 28 HD2 TYR 28 6.325 -3.733 -0.710 211 HE1 TYR 28 HE1 TYR 28 5.713 -6.272 3.506 212 HE2 TYR 28 HE2 TYR 28 7.148 -6.066 -0.538 213 HH TYR 28 HH TYR 28 7.892 -7.607 1.452 214 H GLU 29 HN GLU 29 6.176 0.016 -0.596 215 HA GLU 29 HA GLU 29 8.246 -1.366 -1.991 216 HB2 GLU 29 HB2 GLU 29 6.684 1.155 -2.526 217 HB3 GLU 29 HB1 GLU 29 7.909 0.515 -3.634 218 HG2 GLU 29 HG2 GLU 29 6.749 -1.551 -3.867 219 HG3 GLU 29 HG1 GLU 29 5.677 -1.151 -2.528 220 H LEU 30 HN LEU 30 8.283 0.933 0.508 221 HA LEU 30 HA LEU 30 10.628 2.353 -0.423 222 HB2 LEU 30 HB2 LEU 30 9.200 3.328 1.394 223 HB3 LEU 30 HB1 LEU 30 9.619 1.957 2.421 224 HG LEU 30 HG LEU 30 12.005 2.563 2.267 225 HD11 LEU 30 HD11 LEU 30 12.159 3.668 0.156 226 HD12 LEU 30 HD12 LEU 30 12.474 4.915 1.361 227 HD13 LEU 30 HD13 LEU 30 10.894 4.819 0.583 228 HD21 LEU 30 HD21 LEU 30 10.830 3.427 4.167 229 HD22 LEU 30 HD22 LEU 30 10.056 4.685 3.199 230 HD23 LEU 30 HD23 LEU 30 11.785 4.766 3.533 231 H LYS 31 HN LYS 31 9.714 -0.295 1.688 232 HA LYS 31 HA LYS 31 12.250 -1.255 2.417 233 HB2 LYS 31 HB2 LYS 31 10.167 -2.171 3.390 234 HB3 LYS 31 HB1 LYS 31 9.778 -2.910 1.841 235 HG2 LYS 31 HG2 LYS 31 11.839 -4.237 1.920 236 HG3 LYS 31 HG1 LYS 31 12.268 -3.488 3.458 237 HD2 LYS 31 HD2 LYS 31 10.257 -4.423 4.505 238 HD3 LYS 31 HD1 LYS 31 9.765 -5.128 2.963 239 HE2 LYS 31 HE2 LYS 31 10.856 -6.833 4.346 240 HE3 LYS 31 HE1 LYS 31 11.853 -6.475 2.937 241 HZ1 LYS 31 HZ1 LYS 31 13.317 -5.196 4.212 242 HZ2 LYS 31 HZ2 LYS 31 13.016 -6.571 5.165 243 HZ3 LYS 31 HZ3 LYS 31 12.247 -5.099 5.525 244 H ASN 32 HN ASN 32 10.161 -1.944 -0.355 245 HA ASN 32 HA ASN 32 12.605 -2.858 -1.818 246 HB2 ASN 32 HB2 ASN 32 9.852 -4.098 -1.816 247 HB3 ASN 32 HB1 ASN 32 11.068 -4.453 -3.040 248 HD21 ASN 32 HD21 ASN 32 10.058 -6.450 -1.196 249 HD22 ASN 32 HD22 ASN 32 11.348 -6.925 -0.202 250 H THR 33 HN THR 33 12.888 -0.925 -2.927 251 HA THR 33 HA THR 33 10.653 0.299 -4.312 252 HB THR 33 HB THR 33 12.310 1.950 -5.055 253 HG1 THR 33 HG1 THR 33 14.117 0.152 -3.818 254 HG21 THR 33 HG21 THR 33 11.354 2.240 -2.833 255 HG22 THR 33 HG22 THR 33 13.053 2.710 -2.799 256 HG23 THR 33 HG23 THR 33 12.555 1.150 -2.143 257 H ASN 34 HN ASN 34 12.946 -2.145 -5.019 258 HA ASN 34 HA ASN 34 12.749 -1.711 -7.913 259 HB2 ASN 34 HB2 ASN 34 14.356 -3.636 -6.230 260 HB3 ASN 34 HB1 ASN 34 14.312 -3.696 -7.990 261 HD21 ASN 34 HD21 ASN 34 16.722 -3.108 -6.486 262 HD22 ASN 34 HD22 ASN 34 17.171 -1.513 -6.850 263 H GLU 35 HN GLU 35 10.799 -3.012 -5.668 264 HA GLU 35 HA GLU 35 9.759 -5.051 -7.537 265 HB2 GLU 35 HB2 GLU 35 9.832 -5.287 -4.518 266 HB3 GLU 35 HB1 GLU 35 9.150 -6.455 -5.644 267 HG2 GLU 35 HG2 GLU 35 11.357 -6.816 -6.670 268 HG3 GLU 35 HG1 GLU 35 12.072 -5.655 -5.551 269 H LYS 36 HN LYS 36 7.448 -5.420 -7.263 270 HA LYS 36 HA LYS 36 6.108 -3.059 -6.146 271 HB2 LYS 36 HB2 LYS 36 5.510 -4.973 -8.355 272 HB3 LYS 36 HB1 LYS 36 4.137 -4.388 -7.413 273 HG2 LYS 36 HG2 LYS 36 4.499 -2.890 -9.301 274 HG3 LYS 36 HG1 LYS 36 4.920 -2.048 -7.809 275 HD2 LYS 36 HD2 LYS 36 7.294 -2.525 -8.175 276 HD3 LYS 36 HD1 LYS 36 6.903 -3.438 -9.633 277 HE2 LYS 36 HE2 LYS 36 5.947 -1.407 -10.656 278 HE3 LYS 36 HE1 LYS 36 6.336 -0.490 -9.200 279 HZ1 LYS 36 HZ1 LYS 36 8.153 -0.066 -10.498 280 HZ2 LYS 36 HZ2 LYS 36 8.135 -1.594 -11.240 281 HZ3 LYS 36 HZ3 LYS 36 8.703 -1.427 -9.648 282 H ALA 37 HN ALA 37 4.685 -3.362 -4.430 283 HA ALA 37 HA ALA 37 4.798 -5.937 -3.069 284 HB1 ALA 37 HB1 ALA 37 3.151 -3.584 -2.140 285 HB2 ALA 37 HB2 ALA 37 4.910 -3.490 -2.027 286 HB3 ALA 37 HB3 ALA 37 4.042 -4.774 -1.188 287 H SER 38 HN SER 38 2.171 -5.647 -1.884 288 HA SER 38 HA SER 38 0.250 -5.396 -4.010 289 HB2 SER 38 HB2 SER 38 -0.533 -7.659 -4.085 290 HB3 SER 38 HB1 SER 38 1.199 -7.707 -4.415 291 HG SER 38 HG SER 38 0.835 -9.245 -2.894 292 H LEU 39 HN LEU 39 -1.963 -6.030 -3.149 293 HA LEU 39 HA LEU 39 -2.370 -4.686 -0.707 294 HB2 LEU 39 HB2 LEU 39 -4.094 -6.577 -2.313 295 HB3 LEU 39 HB1 LEU 39 -4.674 -5.771 -0.851 296 HG LEU 39 HG LEU 39 -3.478 -4.230 -3.168 297 HD11 LEU 39 HD11 LEU 39 -5.885 -3.672 -3.672 298 HD12 LEU 39 HD12 LEU 39 -6.320 -5.022 -2.636 299 HD13 LEU 39 HD13 LEU 39 -5.391 -5.306 -4.097 300 HD21 LEU 39 HD21 LEU 39 -3.459 -2.999 -1.129 301 HD22 LEU 39 HD22 LEU 39 -5.077 -3.554 -0.724 302 HD23 LEU 39 HD23 LEU 39 -4.840 -2.440 -2.047 303 H SER 40 HN SER 40 -2.366 -8.189 -1.450 304 HA SER 40 HA SER 40 -2.830 -9.080 1.161 305 HB2 SER 40 HB2 SER 40 -1.857 -11.206 0.431 306 HB3 SER 40 HB1 SER 40 -2.895 -10.549 -0.831 307 HG SER 40 HG SER 40 -0.097 -10.726 -0.694 308 H LYS 41 HN LYS 41 0.119 -8.034 -0.427 309 HA LYS 41 HA LYS 41 1.874 -8.859 1.645 310 HB2 LYS 41 HB2 LYS 41 2.208 -6.904 -0.589 311 HB3 LYS 41 HB1 LYS 41 3.487 -7.250 0.569 312 HG2 LYS 41 HG2 LYS 41 3.398 -9.632 -0.030 313 HG3 LYS 41 HG1 LYS 41 2.106 -9.310 -1.178 314 HD2 LYS 41 HD2 LYS 41 3.608 -7.809 -2.447 315 HD3 LYS 41 HD1 LYS 41 4.902 -8.142 -1.294 316 HE2 LYS 41 HE2 LYS 41 4.816 -10.536 -1.882 317 HE3 LYS 41 HE1 LYS 41 3.516 -10.208 -3.028 318 HZ1 LYS 41 HZ1 LYS 41 5.803 -10.325 -4.000 319 HZ2 LYS 41 HZ2 LYS 41 6.163 -8.886 -3.171 320 HZ3 LYS 41 HZ3 LYS 41 4.944 -8.906 -4.355 321 H LEU 42 HN LEU 42 0.084 -5.988 0.987 322 HA LEU 42 HA LEU 42 1.336 -4.400 2.985 323 HB2 LEU 42 HB2 LEU 42 -1.337 -4.036 1.619 324 HB3 LEU 42 HB1 LEU 42 -0.675 -2.909 2.805 325 HG LEU 42 HG LEU 42 0.727 -3.706 0.234 326 HD11 LEU 42 HD11 LEU 42 -1.212 -2.380 -0.323 327 HD12 LEU 42 HD12 LEU 42 0.191 -1.308 -0.377 328 HD13 LEU 42 HD13 LEU 42 -0.889 -1.270 1.020 329 HD21 LEU 42 HD21 LEU 42 1.362 -1.791 2.494 330 HD22 LEU 42 HD22 LEU 42 2.067 -1.586 0.895 331 HD23 LEU 42 HD23 LEU 42 2.388 -3.050 1.811 332 H VAL 43 HN VAL 43 -1.459 -6.588 2.868 333 HA VAL 43 HA VAL 43 -2.258 -5.771 5.450 334 HB VAL 43 HB VAL 43 -3.525 -6.739 3.406 335 HG11 VAL 43 HG11 VAL 43 -2.336 -8.979 3.708 336 HG12 VAL 43 HG12 VAL 43 -4.071 -8.998 3.458 337 HG13 VAL 43 HG13 VAL 43 -3.410 -9.221 5.080 338 HG21 VAL 43 HG21 VAL 43 -4.075 -6.719 6.340 339 HG22 VAL 43 HG22 VAL 43 -5.220 -7.615 5.351 340 HG23 VAL 43 HG23 VAL 43 -4.930 -5.905 5.029 341 H SER 44 HN SER 44 -0.393 -8.385 4.074 342 HA SER 44 HA SER 44 -0.375 -9.958 6.378 343 HB2 SER 44 HB2 SER 44 0.626 -10.785 4.266 344 HB3 SER 44 HB1 SER 44 1.903 -9.580 4.405 345 HG SER 44 HG SER 44 1.439 -11.910 5.903 346 H SER 45 HN SER 45 1.714 -7.442 5.188 347 HA SER 45 HA SER 45 3.299 -6.869 7.462 348 HB2 SER 45 HB2 SER 45 3.554 -4.602 6.395 349 HB3 SER 45 HB1 SER 45 4.016 -5.980 5.402 350 HG SER 45 HG SER 45 1.719 -4.358 5.278 351 H GLY 46 HN GLY 46 0.150 -6.969 7.756 352 HA2 GLY 46 HA2 GLY 46 -1.603 -5.801 8.606 353 HA3 GLY 46 HA1 GLY 46 -0.517 -5.737 9.985 354 H ASN 47 HN ASN 47 0.012 -4.050 6.947 355 HA ASN 47 HA ASN 47 0.281 -1.460 8.140 356 HB2 ASN 47 HB2 ASN 47 -0.014 -2.480 5.313 357 HB3 ASN 47 HB1 ASN 47 0.092 -0.759 5.648 358 HD21 ASN 47 HD21 ASN 47 2.056 -0.619 7.617 359 HD22 ASN 47 HD22 ASN 47 3.512 -1.283 7.053 360 H ILE 48 HN ILE 48 -2.124 -3.207 6.377 361 HA ILE 48 HA ILE 48 -4.252 -1.342 7.204 362 HB ILE 48 HB ILE 48 -5.180 -1.610 4.874 363 HG12 ILE 48 HG12 ILE 48 -2.386 -2.581 4.221 364 HG13 ILE 48 HG11 ILE 48 -3.717 -3.698 4.432 365 HG21 ILE 48 HG21 ILE 48 -3.745 0.085 3.964 366 HG22 ILE 48 HG22 ILE 48 -2.386 -0.460 4.944 367 HG23 ILE 48 HG23 ILE 48 -3.759 0.333 5.710 368 HD11 ILE 48 HD11 ILE 48 -3.668 -3.285 2.101 369 HD12 ILE 48 HD12 ILE 48 -3.373 -1.563 2.336 370 HD13 ILE 48 HD13 ILE 48 -4.963 -2.241 2.689 371 H SER 49 HN SER 49 -6.484 -2.303 6.912 372 HA SER 49 HA SER 49 -6.512 -4.990 7.941 373 HB2 SER 49 HB2 SER 49 -8.755 -3.127 7.104 374 HB3 SER 49 HB1 SER 49 -8.981 -4.685 7.893 375 HG SER 49 HG SER 49 -8.929 -3.284 9.547 376 H GLN 50 HN GLN 50 -7.594 -6.733 6.812 377 HA GLN 50 HA GLN 50 -6.772 -7.070 4.182 378 HB2 GLN 50 HB2 GLN 50 -7.494 -8.939 5.654 379 HB3 GLN 50 HB1 GLN 50 -9.153 -8.365 5.481 380 HG2 GLN 50 HG2 GLN 50 -8.788 -10.137 3.856 381 HG3 GLN 50 HG1 GLN 50 -8.940 -8.627 2.996 382 HE21 GLN 50 HE21 GLN 50 -7.407 -8.456 1.369 383 HE22 GLN 50 HE22 GLN 50 -5.828 -9.074 1.451 384 H LYS 51 HN LYS 51 -10.082 -6.080 5.383 385 HA LYS 51 HA LYS 51 -11.243 -5.952 2.901 386 HB2 LYS 51 HB2 LYS 51 -12.944 -4.753 4.125 387 HB3 LYS 51 HB1 LYS 51 -12.287 -5.999 5.185 388 HG2 LYS 51 HG2 LYS 51 -10.701 -4.239 6.155 389 HG3 LYS 51 HG1 LYS 51 -11.603 -3.049 5.209 390 HD2 LYS 51 HD2 LYS 51 -13.690 -3.633 6.346 391 HD3 LYS 51 HD1 LYS 51 -12.854 -4.879 7.273 392 HE2 LYS 51 HE2 LYS 51 -13.048 -2.891 8.657 393 HE3 LYS 51 HE1 LYS 51 -11.357 -3.103 8.212 394 HZ1 LYS 51 HZ1 LYS 51 -13.139 -0.960 7.590 395 HZ2 LYS 51 HZ2 LYS 51 -12.411 -1.587 6.190 396 HZ3 LYS 51 HZ3 LYS 51 -11.449 -1.024 7.471 397 H GLN 52 HN GLN 52 -9.224 -3.778 4.728 398 HA GLN 52 HA GLN 52 -9.795 -1.451 3.193 399 HB2 GLN 52 HB2 GLN 52 -8.687 -1.588 5.518 400 HB3 GLN 52 HB1 GLN 52 -7.234 -2.118 4.678 401 HG2 GLN 52 HG2 GLN 52 -7.003 -0.009 3.534 402 HG3 GLN 52 HG1 GLN 52 -8.657 0.444 3.953 403 HE21 GLN 52 HE21 GLN 52 -5.479 1.013 4.894 404 HE22 GLN 52 HE22 GLN 52 -5.770 1.475 6.495 405 H ALA 53 HN ALA 53 -7.662 -4.249 3.176 406 HA ALA 53 HA ALA 53 -6.119 -3.413 0.918 407 HB1 ALA 53 HB1 ALA 53 -5.922 -5.469 2.694 408 HB2 ALA 53 HB2 ALA 53 -5.033 -5.392 1.175 409 HB3 ALA 53 HB3 ALA 53 -6.529 -6.320 1.273 410 H ASP 54 HN ASP 54 -8.881 -5.699 1.219 411 HA ASP 54 HA ASP 54 -9.154 -6.243 -1.523 412 HB2 ASP 54 HB2 ASP 54 -11.228 -6.151 0.656 413 HB3 ASP 54 HB1 ASP 54 -11.570 -6.742 -0.969 414 H SER 55 HN SER 55 -10.917 -3.616 0.240 415 HA SER 55 HA SER 55 -12.375 -2.819 -1.875 416 HB2 SER 55 HB2 SER 55 -11.062 -1.148 0.255 417 HB3 SER 55 HB1 SER 55 -12.292 -0.539 -0.843 418 HG SER 55 HG SER 55 -12.716 -1.716 1.405 419 H TYR 56 HN TYR 56 -8.802 -2.109 -1.367 420 HA TYR 56 HA TYR 56 -8.870 -0.258 -3.574 421 HB2 TYR 56 HB2 TYR 56 -6.973 -0.614 -1.790 422 HB3 TYR 56 HB1 TYR 56 -6.464 -1.865 -2.905 423 HD1 TYR 56 HD1 TYR 56 -6.547 1.688 -2.314 424 HD2 TYR 56 HD2 TYR 56 -6.205 -1.313 -5.352 425 HE1 TYR 56 HE1 TYR 56 -5.670 3.388 -3.894 426 HE2 TYR 56 HE2 TYR 56 -5.336 0.371 -6.919 427 HH TYR 56 HH TYR 56 -5.470 3.730 -6.299 428 H LYS 57 HN LYS 57 -8.153 -3.728 -3.132 429 HA LYS 57 HA LYS 57 -7.127 -4.446 -5.536 430 HB2 LYS 57 HB2 LYS 57 -7.629 -6.065 -3.705 431 HB3 LYS 57 HB1 LYS 57 -9.326 -5.961 -4.121 432 HG2 LYS 57 HG2 LYS 57 -8.859 -6.817 -6.366 433 HG3 LYS 57 HG1 LYS 57 -7.130 -6.872 -5.997 434 HD2 LYS 57 HD2 LYS 57 -7.567 -8.486 -4.185 435 HD3 LYS 57 HD1 LYS 57 -9.291 -8.431 -4.549 436 HE2 LYS 57 HE2 LYS 57 -8.848 -9.276 -6.820 437 HE3 LYS 57 HE1 LYS 57 -7.119 -9.320 -6.470 438 HZ1 LYS 57 HZ1 LYS 57 -9.272 -10.946 -5.257 439 HZ2 LYS 57 HZ2 LYS 57 -7.739 -10.802 -4.541 440 HZ3 LYS 57 HZ3 LYS 57 -7.896 -11.481 -6.091 441 H ALA 58 HN ALA 58 -10.604 -4.006 -4.816 442 HA ALA 58 HA ALA 58 -11.487 -4.765 -7.377 443 HB1 ALA 58 HB1 ALA 58 -12.593 -3.997 -4.973 444 HB2 ALA 58 HB2 ALA 58 -13.510 -4.139 -6.488 445 HB3 ALA 58 HB3 ALA 58 -12.898 -2.566 -5.973 446 H TYR 59 HN TYR 59 -10.851 -1.526 -6.010 447 HA TYR 59 HA TYR 59 -11.158 0.017 -8.200 448 HB2 TYR 59 HB2 TYR 59 -10.441 0.983 -6.062 449 HB3 TYR 59 HB1 TYR 59 -8.826 0.318 -6.289 450 HD1 TYR 59 HD1 TYR 59 -11.324 2.650 -7.771 451 HD2 TYR 59 HD2 TYR 59 -7.210 1.429 -7.622 452 HE1 TYR 59 HE1 TYR 59 -10.686 4.634 -9.113 453 HE2 TYR 59 HE2 TYR 59 -6.571 3.414 -8.962 454 HH TYR 59 HH TYR 59 -8.202 6.015 -9.284 455 H TYR 60 HN TYR 60 -8.125 -1.856 -7.558 456 HA TYR 60 HA TYR 60 -6.770 -1.105 -9.900 457 HB2 TYR 60 HB2 TYR 60 -5.335 -2.337 -8.617 458 HB3 TYR 60 HB1 TYR 60 -6.641 -3.305 -7.919 459 HD1 TYR 60 HD1 TYR 60 -4.729 -2.794 -11.117 460 HD2 TYR 60 HD2 TYR 60 -7.105 -5.444 -8.712 461 HE1 TYR 60 HE1 TYR 60 -4.307 -4.648 -12.717 462 HE2 TYR 60 HE2 TYR 60 -6.671 -7.288 -10.308 463 HH TYR 60 HH TYR 60 -4.576 -7.702 -12.111 464 H GLY 61 HN GLY 61 -9.035 -3.620 -9.080 465 HA2 GLY 61 HA2 GLY 61 -9.143 -5.120 -11.382 466 HA3 GLY 61 HA1 GLY 61 -10.476 -4.854 -10.273 467 H LYS 62 HN LYS 62 -10.946 -2.175 -10.587 468 HA LYS 62 HA LYS 62 -12.638 -2.036 -12.805 469 HB2 LYS 62 HB2 LYS 62 -12.916 -0.657 -10.797 470 HB3 LYS 62 HB1 LYS 62 -11.446 0.232 -11.198 471 HG2 LYS 62 HG2 LYS 62 -12.465 0.985 -13.311 472 HG3 LYS 62 HG1 LYS 62 -13.930 0.078 -12.935 473 HD2 LYS 62 HD2 LYS 62 -14.258 1.436 -10.904 474 HD3 LYS 62 HD1 LYS 62 -12.792 2.345 -11.273 475 HE2 LYS 62 HE2 LYS 62 -13.789 3.105 -13.394 476 HE3 LYS 62 HE1 LYS 62 -15.255 2.192 -13.037 477 HZ1 LYS 62 HZ1 LYS 62 -15.198 4.662 -12.444 478 HZ2 LYS 62 HZ2 LYS 62 -14.214 4.197 -11.139 479 HZ3 LYS 62 HZ3 LYS 62 -15.791 3.580 -11.279 480 H HIS 63 HN HIS 63 -9.352 -0.860 -12.383 481 HA HIS 63 HA HIS 63 -8.845 0.897 -14.318 482 HB2 HIS 63 HB2 HIS 63 -6.675 0.347 -14.149 483 HB3 HIS 63 HB1 HIS 63 -7.252 -0.660 -12.821 484 HD1 HIS 63 HD1 HIS 63 -5.934 -0.841 -16.312 485 HD2 HIS 63 HD2 HIS 63 -7.486 -3.500 -13.506 486 HE1 HIS 63 HE1 HIS 63 -5.429 -3.168 -17.166 487 HE2 HIS 63 HE2 HIS 63 -6.362 -4.795 -15.461 488 H SER 64 HN SER 64 -7.786 0.777 -16.401 489 HA SER 64 HA SER 64 -8.938 -1.312 -18.143 490 HB2 SER 64 HB2 SER 64 -10.017 0.796 -18.602 491 HB3 SER 64 HB1 SER 64 -8.465 1.624 -18.688 492 HG SER 64 HG SER 64 -9.015 1.175 -20.767 493 H GLY 65 HN GLY 65 -6.507 1.246 -18.721 494 HA2 GLY 65 HA2 GLY 65 -4.752 -0.809 -19.888 495 HA3 GLY 65 HA1 GLY 65 -4.674 0.916 -20.220 496 H GLU 66 HN GLU 66 -4.940 0.517 -16.873 497 HA GLU 66 HA GLU 66 -2.073 0.087 -16.446 498 HB2 GLU 66 HB2 GLU 66 -1.759 2.212 -15.282 499 HB3 GLU 66 HB1 GLU 66 -2.272 2.503 -16.944 500 HG2 GLU 66 HG2 GLU 66 -4.611 2.764 -16.163 501 HG3 GLU 66 HG1 GLU 66 -4.068 2.530 -14.502 502 H THR 67 HN THR 67 -1.516 -0.022 -14.104 503 HA THR 67 HA THR 67 -3.887 -0.706 -12.447 504 HB THR 67 HB THR 67 -2.601 -2.544 -11.482 505 HG1 THR 67 HG1 THR 67 -0.526 -2.103 -11.563 506 HG21 THR 67 HG21 THR 67 -3.870 -2.895 -13.618 507 HG22 THR 67 HG22 THR 67 -2.506 -3.997 -13.422 508 HG23 THR 67 HG23 THR 67 -2.371 -2.608 -14.502 509 H GLN 68 HN GLN 68 -3.649 -0.301 -10.119 510 HA GLN 68 HA GLN 68 -2.616 2.062 -9.406 511 HB2 GLN 68 HB2 GLN 68 -2.713 1.414 -7.126 512 HB3 GLN 68 HB1 GLN 68 -4.017 0.645 -8.012 513 HG2 GLN 68 HG2 GLN 68 -2.739 -1.415 -8.182 514 HG3 GLN 68 HG1 GLN 68 -1.398 -0.655 -7.348 515 HE21 GLN 68 HE21 GLN 68 -4.179 -2.457 -6.899 516 HE22 GLN 68 HE22 GLN 68 -4.323 -2.287 -5.210 517 H THR 69 HN THR 69 -1.017 2.277 -7.494 518 HA THR 69 HA THR 69 1.588 2.252 -8.551 519 HB THR 69 HB THR 69 0.669 2.561 -5.687 520 HG1 THR 69 HG1 THR 69 0.829 4.759 -6.203 521 HG21 THR 69 HG21 THR 69 2.860 3.748 -5.440 522 HG22 THR 69 HG22 THR 69 3.297 3.194 -7.057 523 HG23 THR 69 HG23 THR 69 3.037 2.024 -5.763 524 H VAL 70 HN VAL 70 -0.041 0.009 -6.271 525 HA VAL 70 HA VAL 70 2.421 -1.588 -6.257 526 HB VAL 70 HB VAL 70 1.727 -0.815 -4.087 527 HG11 VAL 70 HG11 VAL 70 -0.472 -1.664 -3.153 528 HG12 VAL 70 HG12 VAL 70 -0.934 -2.039 -4.817 529 HG13 VAL 70 HG13 VAL 70 -0.605 -0.368 -4.347 530 HG21 VAL 70 HG21 VAL 70 1.326 -3.021 -2.985 531 HG22 VAL 70 HG22 VAL 70 2.676 -2.999 -4.117 532 HG23 VAL 70 HG23 VAL 70 1.142 -3.722 -4.588 533 H ALA 71 HN ALA 71 2.384 -3.772 -6.722 534 HA ALA 71 HA ALA 71 0.449 -4.622 -8.628 535 HB1 ALA 71 HB1 ALA 71 2.561 -6.224 -7.173 536 HB2 ALA 71 HB2 ALA 71 2.790 -5.365 -8.697 537 HB3 ALA 71 HB3 ALA 71 1.687 -6.739 -8.617 538 H ASN 72 HN ASN 72 -1.461 -4.310 -7.247 539 HA ASN 72 HA ASN 72 -2.272 -5.492 -4.971 540 HB2 ASN 72 HB2 ASN 72 -4.455 -6.071 -6.465 541 HB3 ASN 72 HB1 ASN 72 -4.068 -4.451 -5.889 542 HD21 ASN 72 HD21 ASN 72 -3.760 -6.606 -8.732 543 HD22 ASN 72 HD22 ASN 72 -3.571 -5.334 -9.856 Start of MODEL 9 1 H1 ASN 1 HT1 ASN 1 -36.334 1.319 7.764 2 H2 ASN 1 HT2 ASN 1 -35.754 -0.015 8.641 3 H3 ASN 1 HT3 ASN 1 -34.699 0.881 7.653 4 HA ASN 1 HA ASN 1 -36.056 1.875 10.100 5 HB2 ASN 1 HB2 ASN 1 -33.211 1.038 9.493 6 HB3 ASN 1 HB1 ASN 1 -33.646 2.008 10.900 7 HD21 ASN 1 HD21 ASN 1 -32.529 -0.653 11.118 8 HD22 ASN 1 HD22 ASN 1 -33.726 -1.656 11.808 9 H LEU 2 HN LEU 2 -36.773 3.440 8.268 10 HA LEU 2 HA LEU 2 -34.669 5.453 7.786 11 HB2 LEU 2 HB2 LEU 2 -35.704 4.610 5.741 12 HB3 LEU 2 HB1 LEU 2 -37.306 4.992 6.370 13 HG LEU 2 HG LEU 2 -36.693 7.392 6.455 14 HD11 LEU 2 HD11 LEU 2 -34.314 7.278 6.795 15 HD12 LEU 2 HD12 LEU 2 -34.569 8.046 5.228 16 HD13 LEU 2 HD13 LEU 2 -34.089 6.350 5.312 17 HD21 LEU 2 HD21 LEU 2 -36.094 6.169 3.745 18 HD22 LEU 2 HD22 LEU 2 -36.735 7.784 4.058 19 HD23 LEU 2 HD23 LEU 2 -37.719 6.362 4.406 20 H THR 3 HN THR 3 -34.739 7.259 8.921 21 HA THR 3 HA THR 3 -35.518 9.099 10.050 22 HB THR 3 HB THR 3 -38.358 8.187 9.689 23 HG1 THR 3 HG1 THR 3 -38.319 8.930 7.646 24 HG21 THR 3 HG21 THR 3 -36.913 10.828 9.957 25 HG22 THR 3 HG22 THR 3 -38.136 10.146 11.030 26 HG23 THR 3 HG23 THR 3 -38.590 10.719 9.423 27 H LYS 4 HN LYS 4 -37.473 6.186 10.783 28 HA LYS 4 HA LYS 4 -38.003 6.832 13.462 29 HB2 LYS 4 HB2 LYS 4 -39.180 5.042 12.251 30 HB3 LYS 4 HB1 LYS 4 -37.694 4.092 12.211 31 HG2 LYS 4 HG2 LYS 4 -37.643 4.038 14.669 32 HG3 LYS 4 HG1 LYS 4 -39.110 5.015 14.730 33 HD2 LYS 4 HD2 LYS 4 -40.334 3.244 13.508 34 HD3 LYS 4 HD1 LYS 4 -38.869 2.261 13.482 35 HE2 LYS 4 HE2 LYS 4 -40.253 3.238 15.997 36 HE3 LYS 4 HE1 LYS 4 -40.400 1.611 15.334 37 HZ1 LYS 4 HZ1 LYS 4 -37.908 1.505 15.481 38 HZ2 LYS 4 HZ2 LYS 4 -38.731 1.513 16.968 39 HZ3 LYS 4 HZ3 LYS 4 -37.971 2.926 16.406 40 H GLN 5 HN GLN 5 -35.341 4.963 12.013 41 HA GLN 5 HA GLN 5 -33.847 5.349 14.533 42 HB2 GLN 5 HB2 GLN 5 -34.616 3.017 14.395 43 HB3 GLN 5 HB1 GLN 5 -33.845 2.857 12.816 44 HG2 GLN 5 HG2 GLN 5 -31.655 3.310 13.806 45 HG3 GLN 5 HG1 GLN 5 -32.397 3.564 15.383 46 HE21 GLN 5 HE21 GLN 5 -30.530 1.609 15.432 47 HE22 GLN 5 HE22 GLN 5 -31.231 0.062 15.417 48 H LYS 6 HN LYS 6 -31.947 6.316 14.270 49 HA LYS 6 HA LYS 6 -31.003 7.168 11.744 50 HB2 LYS 6 HB2 LYS 6 -29.641 7.034 14.443 51 HB3 LYS 6 HB1 LYS 6 -28.937 7.812 13.026 52 HG2 LYS 6 HG2 LYS 6 -31.637 8.554 14.188 53 HG3 LYS 6 HG1 LYS 6 -30.139 9.395 14.575 54 HD2 LYS 6 HD2 LYS 6 -29.829 9.890 12.147 55 HD3 LYS 6 HD1 LYS 6 -31.392 9.142 11.823 56 HE2 LYS 6 HE2 LYS 6 -32.489 10.769 13.312 57 HE3 LYS 6 HE1 LYS 6 -30.930 11.526 13.634 58 HZ1 LYS 6 HZ1 LYS 6 -30.834 12.432 11.568 59 HZ2 LYS 6 HZ2 LYS 6 -32.523 12.394 11.750 60 HZ3 LYS 6 HZ3 LYS 6 -31.735 11.192 10.843 61 H ASP 7 HN ASP 7 -30.110 4.487 13.847 62 HA ASP 7 HA ASP 7 -28.798 2.633 13.507 63 HB2 ASP 7 HB2 ASP 7 -30.481 2.396 11.633 64 HB3 ASP 7 HB1 ASP 7 -29.283 3.129 10.567 65 H ALA 8 HN ALA 8 -27.390 4.986 13.880 66 HA ALA 8 HA ALA 8 -25.266 5.835 13.711 67 HB1 ALA 8 HB1 ALA 8 -24.747 3.348 13.846 68 HB2 ALA 8 HB2 ALA 8 -23.511 4.355 13.093 69 HB3 ALA 8 HB3 ALA 8 -24.585 3.382 12.090 70 H VAL 9 HN VAL 9 -23.912 7.003 12.306 71 HA VAL 9 HA VAL 9 -25.146 7.976 9.952 72 HB VAL 9 HB VAL 9 -23.510 9.238 11.383 73 HG11 VAL 9 HG11 VAL 9 -21.460 7.581 9.888 74 HG12 VAL 9 HG12 VAL 9 -21.898 7.316 11.575 75 HG13 VAL 9 HG13 VAL 9 -21.139 8.832 11.088 76 HG21 VAL 9 HG21 VAL 9 -22.874 8.971 8.426 77 HG22 VAL 9 HG22 VAL 9 -22.382 10.323 9.445 78 HG23 VAL 9 HG23 VAL 9 -24.093 10.029 9.134 79 H SER 10 HN SER 10 -22.869 5.411 10.562 80 HA SER 10 HA SER 10 -22.061 3.737 9.217 81 HB2 SER 10 HB2 SER 10 -24.472 3.883 8.317 82 HB3 SER 10 HB1 SER 10 -23.774 4.777 6.971 83 HG SER 10 HG SER 10 -23.693 2.116 7.543 84 H ASP 11 HN ASP 11 -20.498 5.964 9.444 85 HA ASP 11 HA ASP 11 -19.696 7.121 6.979 86 HB2 ASP 11 HB2 ASP 11 -18.300 6.804 9.638 87 HB3 ASP 11 HB1 ASP 11 -17.569 7.646 8.271 88 H THR 12 HN THR 12 -17.977 6.611 5.604 89 HA THR 12 HA THR 12 -16.492 4.137 6.094 90 HB THR 12 HB THR 12 -18.557 3.458 4.887 91 HG1 THR 12 HG1 THR 12 -17.296 2.068 3.989 92 HG21 THR 12 HG21 THR 12 -18.998 4.245 2.664 93 HG22 THR 12 HG22 THR 12 -17.467 5.120 2.606 94 HG23 THR 12 HG23 THR 12 -18.761 5.674 3.670 95 H GLY 13 HN GLY 13 -14.603 3.935 4.849 96 HA2 GLY 13 HA2 GLY 13 -13.659 6.472 3.673 97 HA3 GLY 13 HA1 GLY 13 -12.638 5.226 4.330 98 H THR 14 HN THR 14 -15.208 5.394 1.865 99 HA THR 14 HA THR 14 -14.005 3.396 0.257 100 HB THR 14 HB THR 14 -15.794 5.710 -0.569 101 HG1 THR 14 HG1 THR 14 -17.238 4.580 0.418 102 HG21 THR 14 HG21 THR 14 -14.945 3.162 -1.963 103 HG22 THR 14 HG22 THR 14 -14.716 4.820 -2.518 104 HG23 THR 14 HG23 THR 14 -16.334 4.122 -2.474 105 H ALA 15 HN ALA 15 -13.890 6.913 0.349 106 HA ALA 15 HA ALA 15 -11.945 7.207 -1.728 107 HB1 ALA 15 HB1 ALA 15 -11.665 9.521 -0.562 108 HB2 ALA 15 HB2 ALA 15 -13.080 9.025 0.366 109 HB3 ALA 15 HB3 ALA 15 -13.177 9.157 -1.390 110 H ALA 16 HN ALA 16 -11.858 7.002 1.736 111 HA ALA 16 HA ALA 16 -9.184 7.660 2.175 112 HB1 ALA 16 HB1 ALA 16 -11.129 7.265 3.858 113 HB2 ALA 16 HB2 ALA 16 -9.487 6.841 4.342 114 HB3 ALA 16 HB3 ALA 16 -10.603 5.582 3.815 115 H VAL 17 HN VAL 17 -10.725 4.623 1.298 116 HA VAL 17 HA VAL 17 -8.583 2.903 1.807 117 HB VAL 17 HB VAL 17 -10.930 2.307 0.891 118 HG11 VAL 17 HG11 VAL 17 -10.327 3.652 -1.305 119 HG12 VAL 17 HG12 VAL 17 -11.264 2.172 -1.411 120 HG13 VAL 17 HG13 VAL 17 -9.539 2.154 -1.773 121 HG21 VAL 17 HG21 VAL 17 -9.852 0.218 -0.213 122 HG22 VAL 17 HG22 VAL 17 -9.485 0.542 1.477 123 HG23 VAL 17 HG23 VAL 17 -8.313 0.953 0.224 124 H VAL 18 HN VAL 18 -9.086 5.084 -0.869 125 HA VAL 18 HA VAL 18 -6.929 4.176 -2.487 126 HB VAL 18 HB VAL 18 -8.252 6.888 -2.276 127 HG11 VAL 18 HG11 VAL 18 -6.148 5.857 -4.198 128 HG12 VAL 18 HG12 VAL 18 -6.024 7.257 -3.132 129 HG13 VAL 18 HG13 VAL 18 -7.130 7.288 -4.505 130 HG21 VAL 18 HG21 VAL 18 -9.747 5.216 -3.146 131 HG22 VAL 18 HG22 VAL 18 -8.482 4.528 -4.165 132 HG23 VAL 18 HG23 VAL 18 -9.146 6.120 -4.536 133 H LYS 19 HN LYS 19 -7.212 6.750 -0.109 134 HA LYS 19 HA LYS 19 -4.562 7.658 -0.170 135 HB2 LYS 19 HB2 LYS 19 -6.392 8.922 0.841 136 HB3 LYS 19 HB1 LYS 19 -6.531 7.719 2.124 137 HG2 LYS 19 HG2 LYS 19 -4.228 8.208 2.849 138 HG3 LYS 19 HG1 LYS 19 -4.065 9.392 1.552 139 HD2 LYS 19 HD2 LYS 19 -5.919 10.705 2.509 140 HD3 LYS 19 HD1 LYS 19 -6.091 9.520 3.804 141 HE2 LYS 19 HE2 LYS 19 -3.787 9.987 4.546 142 HE3 LYS 19 HE1 LYS 19 -3.604 11.166 3.246 143 HZ1 LYS 19 HZ1 LYS 19 -4.362 11.865 5.652 144 HZ2 LYS 19 HZ2 LYS 19 -5.895 11.462 5.039 145 HZ3 LYS 19 HZ3 LYS 19 -4.954 12.651 4.272 146 H VAL 20 HN VAL 20 -5.984 5.140 1.989 147 HA VAL 20 HA VAL 20 -3.566 4.869 3.483 148 HB VAL 20 HB VAL 20 -4.615 2.850 4.390 149 HG11 VAL 20 HG11 VAL 20 -6.310 4.081 5.599 150 HG12 VAL 20 HG12 VAL 20 -6.460 5.248 4.286 151 HG13 VAL 20 HG13 VAL 20 -4.981 5.185 5.245 152 HG21 VAL 20 HG21 VAL 20 -6.054 1.835 2.869 153 HG22 VAL 20 HG22 VAL 20 -6.528 3.361 2.136 154 HG23 VAL 20 HG23 VAL 20 -7.233 2.873 3.663 155 H VAL 21 HN VAL 21 -5.038 2.706 1.106 156 HA VAL 21 HA VAL 21 -2.901 0.905 1.107 157 HB VAL 21 HB VAL 21 -4.896 1.424 -1.082 158 HG11 VAL 21 HG11 VAL 21 -3.080 0.495 -2.272 159 HG12 VAL 21 HG12 VAL 21 -3.999 -0.936 -1.804 160 HG13 VAL 21 HG13 VAL 21 -2.540 -0.485 -0.901 161 HG21 VAL 21 HG21 VAL 21 -5.996 0.429 0.761 162 HG22 VAL 21 HG22 VAL 21 -4.586 -0.529 1.211 163 HG23 VAL 21 HG23 VAL 21 -5.533 -0.970 -0.205 164 H GLU 22 HN GLU 22 -3.369 3.709 -1.097 165 HA GLU 22 HA GLU 22 -1.048 3.139 -2.632 166 HB2 GLU 22 HB2 GLU 22 -2.467 5.733 -2.006 167 HB3 GLU 22 HB1 GLU 22 -1.100 5.640 -3.112 168 HG2 GLU 22 HG2 GLU 22 -2.285 4.106 -4.555 169 HG3 GLU 22 HG1 GLU 22 -3.602 3.954 -3.389 170 H SER 23 HN SER 23 -1.473 5.395 0.069 171 HA SER 23 HA SER 23 1.167 6.175 0.343 172 HB2 SER 23 HB2 SER 23 -0.647 7.245 1.592 173 HB3 SER 23 HB1 SER 23 -0.838 5.800 2.581 174 HG SER 23 HG SER 23 1.242 6.123 3.373 175 H GLN 24 HN GLN 24 -0.401 3.465 2.078 176 HA GLN 24 HA GLN 24 1.931 2.611 3.435 177 HB2 GLN 24 HB2 GLN 24 -0.572 1.130 2.578 178 HB3 GLN 24 HB1 GLN 24 0.655 0.444 3.640 179 HG2 GLN 24 HG2 GLN 24 -0.912 2.987 4.171 180 HG3 GLN 24 HG1 GLN 24 -1.198 1.428 4.947 181 HE21 GLN 24 HE21 GLN 24 0.803 0.532 6.172 182 HE22 GLN 24 HE22 GLN 24 1.779 1.663 6.976 183 H ALA 25 HN ALA 25 0.487 1.754 0.407 184 HA ALA 25 HA ALA 25 2.034 -0.379 -0.441 185 HB1 ALA 25 HB1 ALA 25 1.617 0.570 -2.800 186 HB2 ALA 25 HB2 ALA 25 0.678 1.806 -1.968 187 HB3 ALA 25 HB3 ALA 25 0.231 0.111 -1.812 188 H GLU 26 HN GLU 26 2.650 3.085 -0.861 189 HA GLU 26 HA GLU 26 5.055 2.861 -2.342 190 HB2 GLU 26 HB2 GLU 26 3.726 4.943 -2.247 191 HB3 GLU 26 HB1 GLU 26 4.089 5.092 -0.529 192 HG2 GLU 26 HG2 GLU 26 5.618 6.501 -1.812 193 HG3 GLU 26 HG1 GLU 26 6.515 5.174 -1.077 194 H LEU 27 HN LEU 27 4.217 3.054 0.997 195 HA LEU 27 HA LEU 27 6.843 3.328 2.052 196 HB2 LEU 27 HB2 LEU 27 4.873 3.698 3.487 197 HB3 LEU 27 HB1 LEU 27 4.489 1.976 3.393 198 HG LEU 27 HG LEU 27 6.775 1.479 4.308 199 HD11 LEU 27 HD11 LEU 27 8.026 3.412 3.778 200 HD12 LEU 27 HD12 LEU 27 7.845 3.463 5.531 201 HD13 LEU 27 HD13 LEU 27 6.835 4.488 4.510 202 HD21 LEU 27 HD21 LEU 27 6.219 2.261 6.653 203 HD22 LEU 27 HD22 LEU 27 4.892 1.435 5.837 204 HD23 LEU 27 HD23 LEU 27 4.892 3.194 5.962 205 H TYR 28 HN TYR 28 4.866 0.464 1.375 206 HA TYR 28 HA TYR 28 6.664 -1.458 2.331 207 HB2 TYR 28 HB2 TYR 28 4.252 -1.863 1.812 208 HB3 TYR 28 HB1 TYR 28 4.633 -1.813 0.091 209 HD1 TYR 28 HD1 TYR 28 5.067 -3.669 3.248 210 HD2 TYR 28 HD2 TYR 28 5.878 -3.629 -0.969 211 HE1 TYR 28 HE1 TYR 28 5.692 -6.066 3.344 212 HE2 TYR 28 HE2 TYR 28 6.501 -6.025 -0.873 213 HH TYR 28 HH TYR 28 5.693 -8.055 1.138 214 H GLU 29 HN GLU 29 6.217 0.153 -0.734 215 HA GLU 29 HA GLU 29 8.144 -1.340 -2.175 216 HB2 GLU 29 HB2 GLU 29 7.308 1.556 -2.452 217 HB3 GLU 29 HB1 GLU 29 8.404 0.743 -3.573 218 HG2 GLU 29 HG2 GLU 29 6.757 -0.900 -4.122 219 HG3 GLU 29 HG1 GLU 29 5.713 -0.340 -2.818 220 H LEU 30 HN LEU 30 8.470 1.613 -0.070 221 HA LEU 30 HA LEU 30 11.249 1.763 -0.421 222 HB2 LEU 30 HB2 LEU 30 9.928 3.559 0.631 223 HB3 LEU 30 HB1 LEU 30 9.563 2.496 1.994 224 HG LEU 30 HG LEU 30 11.984 2.331 2.498 225 HD11 LEU 30 HD11 LEU 30 12.183 4.214 0.136 226 HD12 LEU 30 HD12 LEU 30 12.989 2.660 0.350 227 HD13 LEU 30 HD13 LEU 30 13.470 4.045 1.329 228 HD21 LEU 30 HD21 LEU 30 10.788 4.026 3.700 229 HD22 LEU 30 HD22 LEU 30 10.766 5.097 2.299 230 HD23 LEU 30 HD23 LEU 30 12.280 4.781 3.145 231 H LYS 31 HN LYS 31 9.208 0.003 1.856 232 HA LYS 31 HA LYS 31 11.111 -1.045 3.574 233 HB2 LYS 31 HB2 LYS 31 8.704 -1.394 3.909 234 HB3 LYS 31 HB1 LYS 31 8.664 -2.485 2.528 235 HG2 LYS 31 HG2 LYS 31 10.269 -3.982 3.635 236 HG3 LYS 31 HG1 LYS 31 10.339 -2.890 5.018 237 HD2 LYS 31 HD2 LYS 31 7.927 -3.229 5.416 238 HD3 LYS 31 HD1 LYS 31 7.852 -4.320 4.031 239 HE2 LYS 31 HE2 LYS 31 9.472 -5.826 5.119 240 HE3 LYS 31 HE1 LYS 31 9.562 -4.735 6.504 241 HZ1 LYS 31 HZ1 LYS 31 7.193 -6.253 5.565 242 HZ2 LYS 31 HZ2 LYS 31 7.124 -5.044 6.757 243 HZ3 LYS 31 HZ3 LYS 31 8.032 -6.456 7.024 244 H ASN 32 HN ASN 32 10.000 -2.384 0.463 245 HA ASN 32 HA ASN 32 12.392 -4.175 0.546 246 HB2 ASN 32 HB2 ASN 32 9.877 -4.474 -1.095 247 HB3 ASN 32 HB1 ASN 32 11.224 -5.611 -1.040 248 HD21 ASN 32 HD21 ASN 32 11.824 -6.095 1.492 249 HD22 ASN 32 HD22 ASN 32 10.476 -6.520 2.432 250 H THR 33 HN THR 33 10.430 -2.709 -2.032 251 HA THR 33 HA THR 33 10.998 -1.398 -3.821 252 HB THR 33 HB THR 33 13.923 -1.474 -3.251 253 HG1 THR 33 HG1 THR 33 13.731 -0.379 -1.452 254 HG21 THR 33 HG21 THR 33 12.778 -0.190 -5.131 255 HG22 THR 33 HG22 THR 33 13.818 0.768 -4.074 256 HG23 THR 33 HG23 THR 33 12.066 0.828 -3.877 257 H ASN 34 HN ASN 34 13.038 -4.233 -3.156 258 HA ASN 34 HA ASN 34 14.007 -4.604 -5.782 259 HB2 ASN 34 HB2 ASN 34 13.413 -6.568 -3.557 260 HB3 ASN 34 HB1 ASN 34 14.158 -7.041 -5.083 261 HD21 ASN 34 HD21 ASN 34 15.524 -7.260 -2.539 262 HD22 ASN 34 HD22 ASN 34 16.836 -6.184 -2.567 263 H GLU 35 HN GLU 35 11.079 -5.544 -4.134 264 HA GLU 35 HA GLU 35 9.876 -6.384 -6.714 265 HB2 GLU 35 HB2 GLU 35 9.027 -7.218 -3.929 266 HB3 GLU 35 HB1 GLU 35 8.395 -7.830 -5.457 267 HG2 GLU 35 HG2 GLU 35 11.286 -8.116 -4.593 268 HG3 GLU 35 HG1 GLU 35 10.066 -9.372 -4.396 269 H LYS 36 HN LYS 36 7.629 -5.665 -7.026 270 HA LYS 36 HA LYS 36 7.211 -3.137 -5.665 271 HB2 LYS 36 HB2 LYS 36 5.694 -4.497 -7.891 272 HB3 LYS 36 HB1 LYS 36 5.247 -2.947 -7.177 273 HG2 LYS 36 HG2 LYS 36 7.453 -2.024 -7.805 274 HG3 LYS 36 HG1 LYS 36 7.901 -3.577 -8.512 275 HD2 LYS 36 HD2 LYS 36 6.029 -3.398 -10.105 276 HD3 LYS 36 HD1 LYS 36 5.578 -1.846 -9.401 277 HE2 LYS 36 HE2 LYS 36 7.775 -0.916 -10.024 278 HE3 LYS 36 HE1 LYS 36 8.237 -2.467 -10.723 279 HZ1 LYS 36 HZ1 LYS 36 7.428 -0.927 -12.406 280 HZ2 LYS 36 HZ2 LYS 36 5.939 -0.802 -11.598 281 HZ3 LYS 36 HZ3 LYS 36 6.415 -2.281 -12.283 282 H ALA 37 HN ALA 37 5.947 -2.837 -4.107 283 HA ALA 37 HA ALA 37 4.857 -4.720 -2.491 284 HB1 ALA 37 HB1 ALA 37 3.370 -2.127 -2.900 285 HB2 ALA 37 HB2 ALA 37 4.958 -2.156 -2.128 286 HB3 ALA 37 HB3 ALA 37 3.611 -3.029 -1.403 287 H SER 38 HN SER 38 2.927 -5.831 -2.295 288 HA SER 38 HA SER 38 1.102 -5.560 -4.628 289 HB2 SER 38 HB2 SER 38 1.647 -8.090 -3.108 290 HB3 SER 38 HB1 SER 38 0.747 -7.890 -4.606 291 HG SER 38 HG SER 38 2.633 -8.405 -5.419 292 H LEU 39 HN LEU 39 -1.167 -5.734 -4.063 293 HA LEU 39 HA LEU 39 -1.865 -4.640 -1.608 294 HB2 LEU 39 HB2 LEU 39 -3.237 -4.888 -3.747 295 HB3 LEU 39 HB1 LEU 39 -3.603 -6.525 -3.203 296 HG LEU 39 HG LEU 39 -4.057 -4.235 -1.314 297 HD11 LEU 39 HD11 LEU 39 -5.820 -5.066 -3.624 298 HD12 LEU 39 HD12 LEU 39 -5.057 -3.495 -3.414 299 HD13 LEU 39 HD13 LEU 39 -6.333 -4.004 -2.321 300 HD21 LEU 39 HD21 LEU 39 -4.399 -6.458 -0.438 301 HD22 LEU 39 HD22 LEU 39 -5.291 -6.955 -1.877 302 HD23 LEU 39 HD23 LEU 39 -5.999 -5.799 -0.756 303 H SER 40 HN SER 40 -2.031 -8.038 -2.646 304 HA SER 40 HA SER 40 -2.791 -9.142 -0.199 305 HB2 SER 40 HB2 SER 40 -1.087 -10.328 -2.404 306 HB3 SER 40 HB1 SER 40 -1.749 -11.253 -1.058 307 HG SER 40 HG SER 40 -3.590 -11.269 -2.054 308 H LYS 41 HN LYS 41 0.412 -8.316 -1.433 309 HA LYS 41 HA LYS 41 1.881 -9.450 0.691 310 HB2 LYS 41 HB2 LYS 41 2.584 -7.330 -1.286 311 HB3 LYS 41 HB1 LYS 41 3.699 -7.852 -0.030 312 HG2 LYS 41 HG2 LYS 41 3.621 -10.142 -0.868 313 HG3 LYS 41 HG1 LYS 41 2.415 -9.691 -2.072 314 HD2 LYS 41 HD2 LYS 41 4.550 -9.702 -3.192 315 HD3 LYS 41 HD1 LYS 41 4.095 -8.017 -2.970 316 HE2 LYS 41 HE2 LYS 41 5.525 -7.832 -1.013 317 HE3 LYS 41 HE1 LYS 41 5.921 -9.546 -1.106 318 HZ1 LYS 41 HZ1 LYS 41 7.672 -8.287 -2.104 319 HZ2 LYS 41 HZ2 LYS 41 6.581 -7.454 -3.103 320 HZ3 LYS 41 HZ3 LYS 41 6.850 -9.115 -3.336 321 H LEU 42 HN LEU 42 0.485 -6.296 0.213 322 HA LEU 42 HA LEU 42 1.724 -5.005 2.348 323 HB2 LEU 42 HB2 LEU 42 -0.933 -4.515 0.992 324 HB3 LEU 42 HB1 LEU 42 -0.261 -3.455 2.227 325 HG LEU 42 HG LEU 42 1.162 -4.130 -0.353 326 HD11 LEU 42 HD11 LEU 42 -0.561 -1.778 0.455 327 HD12 LEU 42 HD12 LEU 42 -0.901 -2.925 -0.850 328 HD13 LEU 42 HD13 LEU 42 0.458 -1.807 -0.987 329 HD21 LEU 42 HD21 LEU 42 2.565 -3.371 1.580 330 HD22 LEU 42 HD22 LEU 42 1.575 -1.918 1.676 331 HD23 LEU 42 HD23 LEU 42 2.555 -2.229 0.246 332 H VAL 43 HN VAL 43 -1.222 -6.916 1.986 333 HA VAL 43 HA VAL 43 -1.920 -6.329 4.658 334 HB VAL 43 HB VAL 43 -3.314 -6.858 2.515 335 HG11 VAL 43 HG11 VAL 43 -2.579 -9.218 2.394 336 HG12 VAL 43 HG12 VAL 43 -4.320 -9.079 2.598 337 HG13 VAL 43 HG13 VAL 43 -3.301 -9.509 3.972 338 HG21 VAL 43 HG21 VAL 43 -4.290 -5.951 4.514 339 HG22 VAL 43 HG22 VAL 43 -4.057 -7.471 5.380 340 HG23 VAL 43 HG23 VAL 43 -5.245 -7.370 4.079 341 H SER 44 HN SER 44 -0.402 -8.966 2.937 342 HA SER 44 HA SER 44 -0.594 -10.794 5.040 343 HB2 SER 44 HB2 SER 44 0.197 -11.499 2.805 344 HB3 SER 44 HB1 SER 44 1.634 -10.500 3.002 345 HG SER 44 HG SER 44 0.889 -12.876 4.317 346 H SER 45 HN SER 45 1.785 -8.465 4.036 347 HA SER 45 HA SER 45 3.559 -8.420 6.234 348 HB2 SER 45 HB2 SER 45 4.220 -6.204 5.438 349 HB3 SER 45 HB1 SER 45 4.109 -7.358 4.115 350 HG SER 45 HG SER 45 3.077 -5.181 3.907 351 H GLY 46 HN GLY 46 0.421 -8.078 6.640 352 HA2 GLY 46 HA2 GLY 46 -1.100 -6.815 7.731 353 HA3 GLY 46 HA1 GLY 46 0.001 -7.137 9.061 354 H ASN 47 HN ASN 47 0.899 -5.066 6.338 355 HA ASN 47 HA ASN 47 1.455 -2.806 7.999 356 HB2 ASN 47 HB2 ASN 47 2.323 -3.442 5.584 357 HB3 ASN 47 HB1 ASN 47 0.839 -2.659 5.024 358 HD21 ASN 47 HD21 ASN 47 2.106 -0.900 4.060 359 HD22 ASN 47 HD22 ASN 47 2.818 0.293 5.034 360 H ILE 48 HN ILE 48 -0.980 -3.918 5.868 361 HA ILE 48 HA ILE 48 -3.059 -2.204 7.050 362 HB ILE 48 HB ILE 48 -4.109 -2.133 4.787 363 HG12 ILE 48 HG12 ILE 48 -1.454 -3.213 3.838 364 HG13 ILE 48 HG11 ILE 48 -2.879 -4.223 4.007 365 HG21 ILE 48 HG21 ILE 48 -2.793 -0.220 5.465 366 HG22 ILE 48 HG22 ILE 48 -2.400 -0.569 3.782 367 HG23 ILE 48 HG23 ILE 48 -1.291 -1.052 5.066 368 HD11 ILE 48 HD11 ILE 48 -4.101 -2.827 2.411 369 HD12 ILE 48 HD12 ILE 48 -2.589 -3.368 1.680 370 HD13 ILE 48 HD13 ILE 48 -2.730 -1.722 2.297 371 H SER 49 HN SER 49 -5.258 -3.230 6.646 372 HA SER 49 HA SER 49 -4.989 -6.175 6.789 373 HB2 SER 49 HB2 SER 49 -6.931 -4.379 8.253 374 HB3 SER 49 HB1 SER 49 -6.945 -6.140 8.301 375 HG SER 49 HG SER 49 -5.662 -4.679 9.920 376 H GLN 50 HN GLN 50 -6.700 -7.393 6.030 377 HA GLN 50 HA GLN 50 -7.710 -6.986 3.514 378 HB2 GLN 50 HB2 GLN 50 -7.696 -9.024 5.144 379 HB3 GLN 50 HB1 GLN 50 -9.337 -8.470 5.460 380 HG2 GLN 50 HG2 GLN 50 -9.557 -10.013 3.698 381 HG3 GLN 50 HG1 GLN 50 -9.664 -8.440 2.939 382 HE21 GLN 50 HE21 GLN 50 -8.943 -9.928 0.996 383 HE22 GLN 50 HE22 GLN 50 -7.267 -10.069 0.763 384 H LYS 51 HN LYS 51 -8.628 -5.043 5.827 385 HA LYS 51 HA LYS 51 -11.489 -4.766 5.354 386 HB2 LYS 51 HB2 LYS 51 -9.648 -2.830 6.793 387 HB3 LYS 51 HB1 LYS 51 -11.383 -3.007 6.973 388 HG2 LYS 51 HG2 LYS 51 -9.291 -5.037 7.798 389 HG3 LYS 51 HG1 LYS 51 -10.208 -3.993 8.889 390 HD2 LYS 51 HD2 LYS 51 -12.324 -5.037 8.123 391 HD3 LYS 51 HD1 LYS 51 -11.402 -6.119 7.079 392 HE2 LYS 51 HE2 LYS 51 -10.216 -7.011 9.054 393 HE3 LYS 51 HE1 LYS 51 -11.161 -5.947 10.097 394 HZ1 LYS 51 HZ1 LYS 51 -13.179 -7.027 9.218 395 HZ2 LYS 51 HZ2 LYS 51 -12.169 -8.099 10.064 396 HZ3 LYS 51 HZ3 LYS 51 -12.203 -8.121 8.366 397 H GLN 52 HN GLN 52 -8.498 -3.075 5.169 398 HA GLN 52 HA GLN 52 -9.334 -1.139 3.202 399 HB2 GLN 52 HB2 GLN 52 -7.117 -1.583 5.084 400 HB3 GLN 52 HB1 GLN 52 -6.638 -0.876 3.551 401 HG2 GLN 52 HG2 GLN 52 -7.958 1.031 3.870 402 HG3 GLN 52 HG1 GLN 52 -9.030 0.210 5.002 403 HE21 GLN 52 HE21 GLN 52 -5.578 1.342 4.773 404 HE22 GLN 52 HE22 GLN 52 -5.450 1.653 6.435 405 H ALA 53 HN ALA 53 -7.540 -4.181 3.416 406 HA ALA 53 HA ALA 53 -6.182 -3.831 0.923 407 HB1 ALA 53 HB1 ALA 53 -6.833 -6.612 1.557 408 HB2 ALA 53 HB2 ALA 53 -6.120 -5.747 2.918 409 HB3 ALA 53 HB3 ALA 53 -5.262 -5.831 1.384 410 H ASP 54 HN ASP 54 -9.198 -5.558 1.785 411 HA ASP 54 HA ASP 54 -9.757 -6.269 -0.893 412 HB2 ASP 54 HB2 ASP 54 -11.620 -5.797 1.414 413 HB3 ASP 54 HB1 ASP 54 -12.180 -6.381 -0.151 414 H SER 55 HN SER 55 -11.165 -3.403 0.833 415 HA SER 55 HA SER 55 -12.544 -2.589 -1.323 416 HB2 SER 55 HB2 SER 55 -11.177 -0.963 0.812 417 HB3 SER 55 HB1 SER 55 -12.321 -0.283 -0.344 418 HG SER 55 HG SER 55 -13.882 -1.168 0.748 419 H TYR 56 HN TYR 56 -8.931 -1.975 -0.845 420 HA TYR 56 HA TYR 56 -9.002 -0.209 -3.102 421 HB2 TYR 56 HB2 TYR 56 -7.175 -0.299 -1.296 422 HB3 TYR 56 HB1 TYR 56 -6.570 -1.708 -2.173 423 HD1 TYR 56 HD1 TYR 56 -6.940 1.919 -2.208 424 HD2 TYR 56 HD2 TYR 56 -5.989 -1.513 -4.606 425 HE1 TYR 56 HE1 TYR 56 -5.999 3.401 -3.963 426 HE2 TYR 56 HE2 TYR 56 -5.046 -0.028 -6.345 427 HH TYR 56 HH TYR 56 -4.029 2.330 -6.406 428 H LYS 57 HN LYS 57 -8.330 -3.621 -2.518 429 HA LYS 57 HA LYS 57 -7.226 -4.375 -4.891 430 HB2 LYS 57 HB2 LYS 57 -7.603 -5.899 -2.988 431 HB3 LYS 57 HB1 LYS 57 -9.325 -5.902 -3.355 432 HG2 LYS 57 HG2 LYS 57 -8.878 -6.849 -5.574 433 HG3 LYS 57 HG1 LYS 57 -7.141 -6.814 -5.249 434 HD2 LYS 57 HD2 LYS 57 -7.437 -8.372 -3.377 435 HD3 LYS 57 HD1 LYS 57 -9.181 -8.378 -3.637 436 HE2 LYS 57 HE2 LYS 57 -8.174 -10.356 -4.679 437 HE3 LYS 57 HE1 LYS 57 -8.819 -9.282 -5.920 438 HZ1 LYS 57 HZ1 LYS 57 -6.036 -8.919 -5.091 439 HZ2 LYS 57 HZ2 LYS 57 -6.755 -8.680 -6.611 440 HZ3 LYS 57 HZ3 LYS 57 -6.401 -10.253 -6.074 441 H ALA 58 HN ALA 58 -10.708 -3.852 -4.233 442 HA ALA 58 HA ALA 58 -11.560 -4.804 -6.733 443 HB1 ALA 58 HB1 ALA 58 -12.707 -3.805 -4.453 444 HB2 ALA 58 HB2 ALA 58 -13.579 -3.979 -5.989 445 HB3 ALA 58 HB3 ALA 58 -12.882 -2.421 -5.541 446 H TYR 59 HN TYR 59 -10.805 -1.489 -5.636 447 HA TYR 59 HA TYR 59 -11.018 -0.086 -7.909 448 HB2 TYR 59 HB2 TYR 59 -10.120 0.954 -5.872 449 HB3 TYR 59 HB1 TYR 59 -8.569 0.162 -6.143 450 HD1 TYR 59 HD1 TYR 59 -10.982 2.577 -7.631 451 HD2 TYR 59 HD2 TYR 59 -6.960 1.066 -7.625 452 HE1 TYR 59 HE1 TYR 59 -10.283 4.430 -9.123 453 HE2 TYR 59 HE2 TYR 59 -6.262 2.920 -9.118 454 HH TYR 59 HH TYR 59 -8.431 4.839 -10.802 455 H TYR 60 HN TYR 60 -8.124 -2.164 -7.288 456 HA TYR 60 HA TYR 60 -6.839 -1.684 -9.759 457 HB2 TYR 60 HB2 TYR 60 -5.576 -2.831 -8.108 458 HB3 TYR 60 HB1 TYR 60 -6.862 -4.015 -7.835 459 HD1 TYR 60 HD1 TYR 60 -4.513 -2.769 -10.478 460 HD2 TYR 60 HD2 TYR 60 -6.919 -6.014 -9.032 461 HE1 TYR 60 HE1 TYR 60 -3.593 -4.247 -12.240 462 HE2 TYR 60 HE2 TYR 60 -5.990 -7.494 -10.790 463 HH TYR 60 HH TYR 60 -3.293 -6.962 -12.397 464 H GLY 61 HN GLY 61 -9.111 -4.060 -8.614 465 HA2 GLY 61 HA2 GLY 61 -9.445 -5.693 -10.790 466 HA3 GLY 61 HA1 GLY 61 -10.664 -5.336 -9.585 467 H LYS 62 HN LYS 62 -11.295 -2.718 -10.056 468 HA LYS 62 HA LYS 62 -13.108 -2.849 -12.168 469 HB2 LYS 62 HB2 LYS 62 -13.353 -1.314 -10.273 470 HB3 LYS 62 HB1 LYS 62 -11.954 -0.395 -10.828 471 HG2 LYS 62 HG2 LYS 62 -13.115 0.130 -12.934 472 HG3 LYS 62 HG1 LYS 62 -14.509 -0.817 -12.410 473 HD2 LYS 62 HD2 LYS 62 -14.796 0.691 -10.470 474 HD3 LYS 62 HD1 LYS 62 -13.420 1.648 -11.017 475 HE2 LYS 62 HE2 LYS 62 -15.947 1.169 -12.625 476 HE3 LYS 62 HE1 LYS 62 -15.589 2.641 -11.723 477 HZ1 LYS 62 HZ1 LYS 62 -13.544 2.854 -13.070 478 HZ2 LYS 62 HZ2 LYS 62 -14.968 2.961 -13.991 479 HZ3 LYS 62 HZ3 LYS 62 -14.049 1.533 -14.005 480 H HIS 63 HN HIS 63 -9.945 -1.222 -12.024 481 HA HIS 63 HA HIS 63 -10.152 -0.367 -14.778 482 HB2 HIS 63 HB2 HIS 63 -7.874 -0.226 -12.794 483 HB3 HIS 63 HB1 HIS 63 -7.843 0.487 -14.412 484 HD1 HIS 63 HD1 HIS 63 -9.907 2.230 -14.888 485 HD2 HIS 63 HD2 HIS 63 -9.017 1.439 -10.893 486 HE1 HIS 63 HE1 HIS 63 -10.973 4.086 -13.536 487 HE2 HIS 63 HE2 HIS 63 -10.442 3.618 -11.099 488 H SER 64 HN SER 64 -9.009 -1.094 -16.518 489 HA SER 64 HA SER 64 -7.500 -3.607 -16.170 490 HB2 SER 64 HB2 SER 64 -9.448 -2.958 -18.385 491 HB3 SER 64 HB1 SER 64 -8.395 -4.368 -18.322 492 HG SER 64 HG SER 64 -9.433 -4.882 -16.306 493 H GLY 65 HN GLY 65 -5.832 -3.967 -17.687 494 HA2 GLY 65 HA2 GLY 65 -4.239 -3.373 -19.278 495 HA3 GLY 65 HA1 GLY 65 -5.151 -1.894 -19.599 496 H GLU 66 HN GLU 66 -4.907 -2.120 -16.317 497 HA GLU 66 HA GLU 66 -2.217 -1.029 -16.054 498 HB2 GLU 66 HB2 GLU 66 -2.955 1.063 -15.040 499 HB3 GLU 66 HB1 GLU 66 -3.591 0.936 -16.680 500 HG2 GLU 66 HG2 GLU 66 -5.736 0.088 -15.763 501 HG3 GLU 66 HG1 GLU 66 -5.100 0.288 -14.131 502 H THR 67 HN THR 67 -1.509 -0.916 -13.879 503 HA THR 67 HA THR 67 -3.245 -2.291 -11.925 504 HB THR 67 HB THR 67 -0.281 -2.718 -12.360 505 HG1 THR 67 HG1 THR 67 -1.205 -3.930 -13.850 506 HG21 THR 67 HG21 THR 67 -0.624 -3.001 -10.050 507 HG22 THR 67 HG22 THR 67 -0.788 -4.636 -10.692 508 HG23 THR 67 HG23 THR 67 -2.225 -3.704 -10.276 509 H GLN 68 HN GLN 68 -3.390 -1.312 -9.900 510 HA GLN 68 HA GLN 68 -2.624 1.226 -9.392 511 HB2 GLN 68 HB2 GLN 68 -2.804 0.710 -7.007 512 HB3 GLN 68 HB1 GLN 68 -4.079 -0.064 -7.958 513 HG2 GLN 68 HG2 GLN 68 -2.714 -2.117 -8.066 514 HG3 GLN 68 HG1 GLN 68 -1.525 -1.334 -7.053 515 HE21 GLN 68 HE21 GLN 68 -4.106 -3.367 -6.993 516 HE22 GLN 68 HE22 GLN 68 -4.522 -3.245 -5.346 517 H THR 69 HN THR 69 -1.096 1.771 -7.372 518 HA THR 69 HA THR 69 1.587 1.732 -8.368 519 HB THR 69 HB THR 69 2.177 2.853 -6.256 520 HG1 THR 69 HG1 THR 69 0.954 1.914 -4.741 521 HG21 THR 69 HG21 THR 69 0.659 4.782 -6.516 522 HG22 THR 69 HG22 THR 69 -0.442 3.782 -7.465 523 HG23 THR 69 HG23 THR 69 1.167 4.155 -8.084 524 H VAL 70 HN VAL 70 -0.118 -0.474 -6.461 525 HA VAL 70 HA VAL 70 2.329 -1.959 -5.724 526 HB VAL 70 HB VAL 70 1.591 -1.313 -3.635 527 HG11 VAL 70 HG11 VAL 70 -1.098 -1.072 -4.942 528 HG12 VAL 70 HG12 VAL 70 -0.089 0.197 -4.256 529 HG13 VAL 70 HG13 VAL 70 -0.926 -0.934 -3.195 530 HG21 VAL 70 HG21 VAL 70 -0.452 -2.975 -2.903 531 HG22 VAL 70 HG22 VAL 70 1.225 -3.457 -2.953 532 HG23 VAL 70 HG23 VAL 70 0.167 -3.837 -4.297 533 H ALA 71 HN ALA 71 2.425 -3.795 -7.059 534 HA ALA 71 HA ALA 71 -0.054 -4.593 -8.350 535 HB1 ALA 71 HB1 ALA 71 2.706 -5.772 -8.684 536 HB2 ALA 71 HB2 ALA 71 2.093 -4.390 -9.594 537 HB3 ALA 71 HB3 ALA 71 1.327 -5.969 -9.766 538 H ASN 72 HN ASN 72 -1.398 -5.940 -7.469 539 HA ASN 72 HA ASN 72 -1.197 -7.548 -5.291 540 HB2 ASN 72 HB2 ASN 72 -2.625 -8.391 -7.816 541 HB3 ASN 72 HB1 ASN 72 -3.038 -8.824 -6.159 542 HD21 ASN 72 HD21 ASN 72 -4.117 -6.888 -8.564 543 HD22 ASN 72 HD22 ASN 72 -4.728 -5.579 -7.651 Start of MODEL 10 1 H1 ASN 1 HT1 ASN 1 -39.204 -3.816 -4.370 2 H2 ASN 1 HT2 ASN 1 -37.975 -3.902 -3.200 3 H3 ASN 1 HT3 ASN 1 -38.621 -5.327 -3.863 4 HA ASN 1 HA ASN 1 -37.456 -5.166 -5.785 5 HB2 ASN 1 HB2 ASN 1 -37.273 -2.171 -5.331 6 HB3 ASN 1 HB1 ASN 1 -36.764 -3.039 -6.778 7 HD21 ASN 1 HD21 ASN 1 -39.149 -1.054 -5.883 8 HD22 ASN 1 HD22 ASN 1 -40.472 -1.732 -6.720 9 H LEU 2 HN LEU 2 -36.119 -6.337 -4.221 10 HA LEU 2 HA LEU 2 -34.137 -5.016 -2.665 11 HB2 LEU 2 HB2 LEU 2 -34.821 -7.801 -3.368 12 HB3 LEU 2 HB1 LEU 2 -33.122 -7.514 -2.997 13 HG LEU 2 HG LEU 2 -34.549 -8.127 -1.000 14 HD11 LEU 2 HD11 LEU 2 -33.415 -6.635 0.454 15 HD12 LEU 2 HD12 LEU 2 -33.409 -5.341 -0.742 16 HD13 LEU 2 HD13 LEU 2 -32.375 -6.750 -0.964 17 HD21 LEU 2 HD21 LEU 2 -36.508 -6.697 -1.863 18 HD22 LEU 2 HD22 LEU 2 -35.624 -5.309 -1.234 19 HD23 LEU 2 HD23 LEU 2 -36.147 -6.589 -0.140 20 H THR 3 HN THR 3 -31.982 -4.699 -3.019 21 HA THR 3 HA THR 3 -30.996 -5.168 -5.763 22 HB THR 3 HB THR 3 -29.842 -3.001 -5.666 23 HG1 THR 3 HG1 THR 3 -29.819 -3.047 -3.286 24 HG21 THR 3 HG21 THR 3 -32.775 -2.682 -4.982 25 HG22 THR 3 HG22 THR 3 -32.182 -3.190 -6.563 26 HG23 THR 3 HG23 THR 3 -31.783 -1.587 -5.946 27 H LYS 4 HN LYS 4 -28.642 -5.252 -5.914 28 HA LYS 4 HA LYS 4 -27.501 -6.962 -3.986 29 HB2 LYS 4 HB2 LYS 4 -26.270 -5.320 -6.204 30 HB3 LYS 4 HB1 LYS 4 -25.356 -6.470 -5.228 31 HG2 LYS 4 HG2 LYS 4 -26.895 -8.277 -5.903 32 HG3 LYS 4 HG1 LYS 4 -27.816 -7.129 -6.877 33 HD2 LYS 4 HD2 LYS 4 -25.818 -6.683 -8.252 34 HD3 LYS 4 HD1 LYS 4 -24.893 -7.827 -7.281 35 HE2 LYS 4 HE2 LYS 4 -26.422 -9.641 -7.947 36 HE3 LYS 4 HE1 LYS 4 -27.361 -8.501 -8.910 37 HZ1 LYS 4 HZ1 LYS 4 -25.401 -8.066 -10.247 38 HZ2 LYS 4 HZ2 LYS 4 -25.783 -9.721 -10.270 39 HZ3 LYS 4 HZ3 LYS 4 -24.494 -9.157 -9.319 40 H GLN 5 HN GLN 5 -27.199 -3.469 -4.501 41 HA GLN 5 HA GLN 5 -25.206 -3.119 -2.457 42 HB2 GLN 5 HB2 GLN 5 -25.425 -1.579 -4.378 43 HB3 GLN 5 HB1 GLN 5 -27.009 -1.081 -3.784 44 HG2 GLN 5 HG2 GLN 5 -25.998 -0.270 -1.702 45 HG3 GLN 5 HG1 GLN 5 -24.410 -0.810 -2.247 46 HE21 GLN 5 HE21 GLN 5 -24.415 1.828 -1.720 47 HE22 GLN 5 HE22 GLN 5 -24.530 2.763 -3.133 48 H LYS 6 HN LYS 6 -25.495 -2.887 -0.323 49 HA LYS 6 HA LYS 6 -27.676 -1.582 0.887 50 HB2 LYS 6 HB2 LYS 6 -28.823 -3.486 1.931 51 HB3 LYS 6 HB1 LYS 6 -28.944 -3.570 0.174 52 HG2 LYS 6 HG2 LYS 6 -27.035 -5.146 0.121 53 HG3 LYS 6 HG1 LYS 6 -26.935 -5.077 1.878 54 HD2 LYS 6 HD2 LYS 6 -29.191 -5.994 2.079 55 HD3 LYS 6 HD1 LYS 6 -29.368 -5.994 0.323 56 HE2 LYS 6 HE2 LYS 6 -28.757 -8.241 1.102 57 HE3 LYS 6 HE1 LYS 6 -27.443 -7.554 0.146 58 HZ1 LYS 6 HZ1 LYS 6 -27.598 -7.493 3.113 59 HZ2 LYS 6 HZ2 LYS 6 -26.310 -6.929 2.159 60 HZ3 LYS 6 HZ3 LYS 6 -26.667 -8.589 2.213 61 H ASP 7 HN ASP 7 -24.841 -1.580 1.135 62 HA ASP 7 HA ASP 7 -24.680 -2.319 3.977 63 HB2 ASP 7 HB2 ASP 7 -22.507 -3.331 3.654 64 HB3 ASP 7 HB1 ASP 7 -23.712 -4.098 2.614 65 H ALA 8 HN ALA 8 -24.693 0.255 2.128 66 HA ALA 8 HA ALA 8 -22.665 1.612 3.777 67 HB1 ALA 8 HB1 ALA 8 -22.911 1.994 0.782 68 HB2 ALA 8 HB2 ALA 8 -21.601 1.132 1.592 69 HB3 ALA 8 HB3 ALA 8 -21.814 2.864 1.856 70 H VAL 9 HN VAL 9 -23.297 3.567 4.526 71 HA VAL 9 HA VAL 9 -26.002 4.361 4.323 72 HB VAL 9 HB VAL 9 -23.545 5.839 5.294 73 HG11 VAL 9 HG11 VAL 9 -26.471 6.620 5.283 74 HG12 VAL 9 HG12 VAL 9 -25.096 7.554 4.693 75 HG13 VAL 9 HG13 VAL 9 -25.318 7.311 6.427 76 HG21 VAL 9 HG21 VAL 9 -25.866 4.521 6.742 77 HG22 VAL 9 HG22 VAL 9 -24.485 5.309 7.506 78 HG23 VAL 9 HG23 VAL 9 -24.254 3.829 6.575 79 H SER 10 HN SER 10 -23.044 5.635 2.820 80 HA SER 10 HA SER 10 -24.526 6.526 0.512 81 HB2 SER 10 HB2 SER 10 -23.871 8.906 0.721 82 HB3 SER 10 HB1 SER 10 -24.974 8.407 1.999 83 HG SER 10 HG SER 10 -23.102 9.615 2.717 84 H ASP 11 HN ASP 11 -21.515 6.403 2.333 85 HA ASP 11 HA ASP 11 -20.018 6.431 -0.219 86 HB2 ASP 11 HB2 ASP 11 -18.959 7.099 2.535 87 HB3 ASP 11 HB1 ASP 11 -18.111 7.281 0.998 88 H THR 12 HN THR 12 -18.375 4.904 -0.529 89 HA THR 12 HA THR 12 -18.609 2.518 1.191 90 HB THR 12 HB THR 12 -17.734 1.272 -0.744 91 HG1 THR 12 HG1 THR 12 -16.785 2.343 -2.256 92 HG21 THR 12 HG21 THR 12 -19.715 1.403 -2.083 93 HG22 THR 12 HG22 THR 12 -19.998 3.078 -1.612 94 HG23 THR 12 HG23 THR 12 -20.202 1.783 -0.431 95 H GLY 13 HN GLY 13 -16.535 5.100 0.512 96 HA2 GLY 13 HA2 GLY 13 -14.419 5.561 1.330 97 HA3 GLY 13 HA1 GLY 13 -14.418 3.997 2.094 98 H THR 14 HN THR 14 -15.127 4.036 -1.252 99 HA THR 14 HA THR 14 -12.922 2.395 -1.868 100 HB THR 14 HB THR 14 -14.532 4.204 -3.701 101 HG1 THR 14 HG1 THR 14 -14.784 1.430 -3.187 102 HG21 THR 14 HG21 THR 14 -12.716 1.846 -4.271 103 HG22 THR 14 HG22 THR 14 -12.421 3.525 -4.723 104 HG23 THR 14 HG23 THR 14 -13.748 2.631 -5.466 105 H ALA 15 HN ALA 15 -13.570 5.829 -2.010 106 HA ALA 15 HA ALA 15 -11.051 6.551 -3.123 107 HB1 ALA 15 HB1 ALA 15 -11.665 8.814 -2.718 108 HB2 ALA 15 HB2 ALA 15 -12.806 8.344 -1.458 109 HB3 ALA 15 HB3 ALA 15 -13.157 7.976 -3.146 110 H ALA 16 HN ALA 16 -12.289 6.324 0.135 111 HA ALA 16 HA ALA 16 -10.086 7.469 1.413 112 HB1 ALA 16 HB1 ALA 16 -12.088 7.183 2.676 113 HB2 ALA 16 HB2 ALA 16 -10.882 6.128 3.412 114 HB3 ALA 16 HB3 ALA 16 -12.116 5.450 2.352 115 H VAL 17 HN VAL 17 -10.741 4.166 0.401 116 HA VAL 17 HA VAL 17 -8.449 3.124 1.727 117 HB VAL 17 HB VAL 17 -10.236 1.619 1.084 118 HG11 VAL 17 HG11 VAL 17 -9.455 2.501 -1.685 119 HG12 VAL 17 HG12 VAL 17 -11.054 2.258 -0.997 120 HG13 VAL 17 HG13 VAL 17 -10.070 0.877 -1.442 121 HG21 VAL 17 HG21 VAL 17 -7.956 0.776 1.473 122 HG22 VAL 17 HG22 VAL 17 -7.559 1.033 -0.225 123 HG23 VAL 17 HG23 VAL 17 -8.747 -0.170 0.221 124 H VAL 18 HN VAL 18 -8.911 4.648 -1.330 125 HA VAL 18 HA VAL 18 -6.563 3.791 -2.627 126 HB VAL 18 HB VAL 18 -8.129 6.372 -2.851 127 HG11 VAL 18 HG11 VAL 18 -5.931 5.334 -4.653 128 HG12 VAL 18 HG12 VAL 18 -5.787 6.735 -3.592 129 HG13 VAL 18 HG13 VAL 18 -6.910 6.764 -4.949 130 HG21 VAL 18 HG21 VAL 18 -9.098 4.067 -3.524 131 HG22 VAL 18 HG22 VAL 18 -7.926 4.098 -4.835 132 HG23 VAL 18 HG23 VAL 18 -9.162 5.351 -4.727 133 H LYS 19 HN LYS 19 -7.206 6.493 -0.491 134 HA LYS 19 HA LYS 19 -4.622 7.620 -0.521 135 HB2 LYS 19 HB2 LYS 19 -6.742 8.748 0.229 136 HB3 LYS 19 HB1 LYS 19 -6.619 7.829 1.730 137 HG2 LYS 19 HG2 LYS 19 -4.138 9.210 0.897 138 HG3 LYS 19 HG1 LYS 19 -5.469 10.273 1.354 139 HD2 LYS 19 HD2 LYS 19 -4.762 7.933 3.105 140 HD3 LYS 19 HD1 LYS 19 -3.821 9.420 3.205 141 HE2 LYS 19 HE2 LYS 19 -5.927 10.694 3.578 142 HE3 LYS 19 HE1 LYS 19 -6.822 9.177 3.566 143 HZ1 LYS 19 HZ1 LYS 19 -5.829 10.293 5.770 144 HZ2 LYS 19 HZ2 LYS 19 -4.538 9.270 5.355 145 HZ3 LYS 19 HZ3 LYS 19 -6.092 8.627 5.601 146 H VAL 20 HN VAL 20 -5.972 5.013 1.594 147 HA VAL 20 HA VAL 20 -3.658 5.199 3.327 148 HB VAL 20 HB VAL 20 -4.690 3.333 4.517 149 HG11 VAL 20 HG11 VAL 20 -6.660 5.511 3.766 150 HG12 VAL 20 HG12 VAL 20 -5.362 5.686 4.948 151 HG13 VAL 20 HG13 VAL 20 -6.680 4.551 5.247 152 HG21 VAL 20 HG21 VAL 20 -5.739 2.014 2.809 153 HG22 VAL 20 HG22 VAL 20 -6.578 3.409 2.166 154 HG23 VAL 20 HG23 VAL 20 -7.079 2.734 3.698 155 H VAL 21 HN VAL 21 -4.901 2.735 1.033 156 HA VAL 21 HA VAL 21 -2.744 0.972 1.420 157 HB VAL 21 HB VAL 21 -4.610 1.340 -0.898 158 HG11 VAL 21 HG11 VAL 21 -3.790 -1.094 -1.388 159 HG12 VAL 21 HG12 VAL 21 -2.342 -0.619 -0.460 160 HG13 VAL 21 HG13 VAL 21 -2.792 0.260 -1.924 161 HG21 VAL 21 HG21 VAL 21 -5.455 -0.881 0.092 162 HG22 VAL 21 HG22 VAL 21 -5.787 0.575 1.026 163 HG23 VAL 21 HG23 VAL 21 -4.469 -0.498 1.501 164 H GLU 22 HN GLU 22 -3.238 3.520 -1.014 165 HA GLU 22 HA GLU 22 -0.897 3.000 -2.461 166 HB2 GLU 22 HB2 GLU 22 -2.421 5.571 -2.066 167 HB3 GLU 22 HB1 GLU 22 -1.031 5.440 -3.136 168 HG2 GLU 22 HG2 GLU 22 -2.140 3.738 -4.464 169 HG3 GLU 22 HG1 GLU 22 -3.491 3.684 -3.328 170 H SER 23 HN SER 23 -1.363 5.147 0.425 171 HA SER 23 HA SER 23 1.289 6.137 0.351 172 HB2 SER 23 HB2 SER 23 -0.659 5.808 2.641 173 HB3 SER 23 HB1 SER 23 0.866 6.682 2.750 174 HG SER 23 HG SER 23 -1.495 7.489 1.760 175 H GLN 24 HN GLN 24 -0.197 3.343 1.992 176 HA GLN 24 HA GLN 24 2.175 2.616 3.381 177 HB2 GLN 24 HB2 GLN 24 -0.265 0.976 2.661 178 HB3 GLN 24 HB1 GLN 24 1.010 0.453 3.761 179 HG2 GLN 24 HG2 GLN 24 -0.757 2.891 4.120 180 HG3 GLN 24 HG1 GLN 24 -0.862 1.393 5.039 181 HE21 GLN 24 HE21 GLN 24 -0.009 4.401 5.613 182 HE22 GLN 24 HE22 GLN 24 1.386 4.201 6.559 183 H ALA 25 HN ALA 25 0.775 1.570 0.300 184 HA ALA 25 HA ALA 25 2.465 -0.522 -0.321 185 HB1 ALA 25 HB1 ALA 25 0.421 0.258 -1.613 186 HB2 ALA 25 HB2 ALA 25 1.803 -0.243 -2.588 187 HB3 ALA 25 HB3 ALA 25 1.472 1.472 -2.343 188 H GLU 26 HN GLU 26 2.758 2.842 -0.838 189 HA GLU 26 HA GLU 26 5.204 2.923 -2.232 190 HB2 GLU 26 HB2 GLU 26 3.750 4.906 -1.993 191 HB3 GLU 26 HB1 GLU 26 4.120 4.964 -0.269 192 HG2 GLU 26 HG2 GLU 26 6.494 5.291 -0.759 193 HG3 GLU 26 HG1 GLU 26 6.177 5.164 -2.485 194 H LEU 27 HN LEU 27 4.428 2.996 1.218 195 HA LEU 27 HA LEU 27 7.099 3.202 2.107 196 HB2 LEU 27 HB2 LEU 27 5.199 3.800 3.524 197 HB3 LEU 27 HB1 LEU 27 4.672 2.116 3.541 198 HG LEU 27 HG LEU 27 6.861 1.475 4.550 199 HD11 LEU 27 HD11 LEU 27 7.282 4.464 4.474 200 HD12 LEU 27 HD12 LEU 27 8.319 3.200 3.814 201 HD13 LEU 27 HD13 LEU 27 8.185 3.408 5.559 202 HD21 LEU 27 HD21 LEU 27 5.406 3.646 6.102 203 HD22 LEU 27 HD22 LEU 27 6.362 2.332 6.788 204 HD23 LEU 27 HD23 LEU 27 4.849 1.978 5.955 205 H TYR 28 HN TYR 28 5.078 0.369 1.475 206 HA TYR 28 HA TYR 28 6.811 -1.493 2.754 207 HB2 TYR 28 HB2 TYR 28 4.549 -2.173 2.282 208 HB3 TYR 28 HB1 TYR 28 4.796 -1.998 0.539 209 HD1 TYR 28 HD1 TYR 28 5.926 -3.860 3.563 210 HD2 TYR 28 HD2 TYR 28 5.825 -3.735 -0.730 211 HE1 TYR 28 HE1 TYR 28 6.812 -6.173 3.474 212 HE2 TYR 28 HE2 TYR 28 6.711 -6.050 -0.818 213 HH TYR 28 HH TYR 28 8.191 -7.541 1.667 214 H GLU 29 HN GLU 29 6.367 -0.463 -0.588 215 HA GLU 29 HA GLU 29 8.619 -1.940 -1.455 216 HB2 GLU 29 HB2 GLU 29 8.498 -0.635 -3.505 217 HB3 GLU 29 HB1 GLU 29 6.932 -1.312 -3.077 218 HG2 GLU 29 HG2 GLU 29 6.361 0.878 -3.604 219 HG3 GLU 29 HG1 GLU 29 6.593 0.968 -1.866 220 H LEU 30 HN LEU 30 8.180 1.119 0.148 221 HA LEU 30 HA LEU 30 10.670 2.240 -0.690 222 HB2 LEU 30 HB2 LEU 30 8.969 3.606 0.487 223 HB3 LEU 30 HB1 LEU 30 9.183 2.620 1.934 224 HG LEU 30 HG LEU 30 11.555 3.300 2.048 225 HD11 LEU 30 HD11 LEU 30 12.087 3.724 -0.252 226 HD12 LEU 30 HD12 LEU 30 12.205 5.278 0.572 227 HD13 LEU 30 HD13 LEU 30 10.784 4.904 -0.401 228 HD21 LEU 30 HD21 LEU 30 11.148 5.593 2.770 229 HD22 LEU 30 HD22 LEU 30 9.756 4.604 3.204 230 HD23 LEU 30 HD23 LEU 30 9.677 5.673 1.803 231 H LYS 31 HN LYS 31 9.594 0.281 2.013 232 HA LYS 31 HA LYS 31 12.016 -0.208 3.316 233 HB2 LYS 31 HB2 LYS 31 9.847 -0.940 4.238 234 HB3 LYS 31 HB1 LYS 31 9.706 -2.137 2.956 235 HG2 LYS 31 HG2 LYS 31 11.770 -3.230 3.721 236 HG3 LYS 31 HG1 LYS 31 11.937 -2.026 4.999 237 HD2 LYS 31 HD2 LYS 31 9.786 -2.737 5.966 238 HD3 LYS 31 HD1 LYS 31 9.603 -3.936 4.685 239 HE2 LYS 31 HE2 LYS 31 11.673 -5.055 5.427 240 HE3 LYS 31 HE1 LYS 31 11.871 -3.853 6.699 241 HZ1 LYS 31 HZ1 LYS 31 10.500 -6.206 6.899 242 HZ2 LYS 31 HZ2 LYS 31 9.270 -5.046 6.741 243 HZ3 LYS 31 HZ3 LYS 31 10.419 -4.909 7.986 244 H ASN 32 HN ASN 32 10.415 -1.926 0.660 245 HA ASN 32 HA ASN 32 13.087 -3.034 -0.121 246 HB2 ASN 32 HB2 ASN 32 10.400 -4.421 -0.118 247 HB3 ASN 32 HB1 ASN 32 11.803 -5.034 -0.996 248 HD21 ASN 32 HD21 ASN 32 10.564 -6.460 1.209 249 HD22 ASN 32 HD22 ASN 32 11.693 -6.528 2.476 250 H THR 33 HN THR 33 13.603 -1.852 -1.910 251 HA THR 33 HA THR 33 11.464 -1.029 -3.718 252 HB THR 33 HB THR 33 13.215 0.283 -4.838 253 HG1 THR 33 HG1 THR 33 14.918 -1.203 -4.468 254 HG21 THR 33 HG21 THR 33 13.078 0.427 -1.821 255 HG22 THR 33 HG22 THR 33 12.174 1.384 -2.995 256 HG23 THR 33 HG23 THR 33 13.908 1.642 -2.790 257 H ASN 34 HN ASN 34 13.315 -3.804 -3.471 258 HA ASN 34 HA ASN 34 14.169 -4.251 -6.127 259 HB2 ASN 34 HB2 ASN 34 14.703 -5.682 -4.071 260 HB3 ASN 34 HB1 ASN 34 13.113 -6.408 -4.290 261 HD21 ASN 34 HD21 ASN 34 13.912 -8.517 -4.971 262 HD22 ASN 34 HD22 ASN 34 14.749 -8.734 -6.434 263 H GLU 35 HN GLU 35 11.151 -4.681 -4.460 264 HA GLU 35 HA GLU 35 9.743 -4.897 -7.046 265 HB2 GLU 35 HB2 GLU 35 8.188 -6.552 -6.027 266 HB3 GLU 35 HB1 GLU 35 9.825 -7.195 -6.298 267 HG2 GLU 35 HG2 GLU 35 10.348 -6.659 -3.905 268 HG3 GLU 35 HG1 GLU 35 8.675 -6.149 -3.688 269 H LYS 36 HN LYS 36 7.486 -4.336 -6.947 270 HA LYS 36 HA LYS 36 7.015 -2.386 -4.852 271 HB2 LYS 36 HB2 LYS 36 5.502 -3.053 -7.376 272 HB3 LYS 36 HB1 LYS 36 4.962 -1.873 -6.181 273 HG2 LYS 36 HG2 LYS 36 7.022 -0.581 -6.490 274 HG3 LYS 36 HG1 LYS 36 7.626 -1.787 -7.628 275 HD2 LYS 36 HD2 LYS 36 6.711 -0.026 -8.954 276 HD3 LYS 36 HD1 LYS 36 5.549 -1.350 -9.007 277 HE2 LYS 36 HE2 LYS 36 4.361 0.748 -8.640 278 HE3 LYS 36 HE1 LYS 36 4.249 -0.245 -7.191 279 HZ1 LYS 36 HZ1 LYS 36 6.346 1.812 -7.563 280 HZ2 LYS 36 HZ2 LYS 36 5.895 1.028 -6.124 281 HZ3 LYS 36 HZ3 LYS 36 4.848 2.155 -6.845 282 H ALA 37 HN ALA 37 5.378 -2.498 -3.512 283 HA ALA 37 HA ALA 37 4.619 -4.954 -2.425 284 HB1 ALA 37 HB1 ALA 37 4.417 -2.398 -1.565 285 HB2 ALA 37 HB2 ALA 37 3.488 -3.717 -0.854 286 HB3 ALA 37 HB3 ALA 37 2.739 -2.664 -2.063 287 H SER 38 HN SER 38 2.105 -5.304 -2.079 288 HA SER 38 HA SER 38 0.563 -4.806 -4.486 289 HB2 SER 38 HB2 SER 38 0.158 -7.052 -5.104 290 HB3 SER 38 HB1 SER 38 1.910 -6.866 -5.009 291 HG SER 38 HG SER 38 0.756 -8.730 -3.898 292 H LEU 39 HN LEU 39 -1.612 -5.794 -4.278 293 HA LEU 39 HA LEU 39 -2.813 -4.936 -1.896 294 HB2 LEU 39 HB2 LEU 39 -3.890 -5.363 -4.177 295 HB3 LEU 39 HB1 LEU 39 -3.896 -7.074 -3.749 296 HG LEU 39 HG LEU 39 -5.021 -5.265 -1.699 297 HD11 LEU 39 HD11 LEU 39 -5.760 -4.311 -3.959 298 HD12 LEU 39 HD12 LEU 39 -7.053 -4.803 -2.875 299 HD13 LEU 39 HD13 LEU 39 -6.600 -5.840 -4.219 300 HD21 LEU 39 HD21 LEU 39 -5.826 -7.877 -3.022 301 HD22 LEU 39 HD22 LEU 39 -6.750 -7.108 -1.730 302 HD23 LEU 39 HD23 LEU 39 -5.110 -7.678 -1.421 303 H SER 40 HN SER 40 -1.857 -8.137 -3.044 304 HA SER 40 HA SER 40 -2.653 -9.557 -0.706 305 HB2 SER 40 HB2 SER 40 -1.436 -11.423 -1.703 306 HB3 SER 40 HB1 SER 40 -2.447 -10.624 -2.901 307 HG SER 40 HG SER 40 -0.578 -10.649 -3.933 308 H LYS 41 HN LYS 41 0.462 -8.113 -1.719 309 HA LYS 41 HA LYS 41 1.989 -9.382 0.301 310 HB2 LYS 41 HB2 LYS 41 2.498 -6.919 -1.314 311 HB3 LYS 41 HB1 LYS 41 3.659 -7.548 -0.162 312 HG2 LYS 41 HG2 LYS 41 3.737 -9.671 -1.374 313 HG3 LYS 41 HG1 LYS 41 2.543 -9.088 -2.519 314 HD2 LYS 41 HD2 LYS 41 4.074 -7.228 -3.142 315 HD3 LYS 41 HD1 LYS 41 5.277 -7.885 -2.030 316 HE2 LYS 41 HE2 LYS 41 5.296 -9.998 -3.311 317 HE3 LYS 41 HE1 LYS 41 4.096 -9.312 -4.410 318 HZ1 LYS 41 HZ1 LYS 41 6.639 -9.180 -4.946 319 HZ2 LYS 41 HZ2 LYS 41 6.564 -7.812 -3.942 320 HZ3 LYS 41 HZ3 LYS 41 5.598 -7.901 -5.336 321 H LEU 42 HN LEU 42 0.799 -6.062 0.129 322 HA LEU 42 HA LEU 42 1.792 -5.210 2.535 323 HB2 LEU 42 HB2 LEU 42 -0.733 -4.412 1.073 324 HB3 LEU 42 HB1 LEU 42 -0.069 -3.553 2.456 325 HG LEU 42 HG LEU 42 1.481 -4.009 -0.080 326 HD11 LEU 42 HD11 LEU 42 0.837 -1.762 -0.694 327 HD12 LEU 42 HD12 LEU 42 0.034 -1.512 0.861 328 HD13 LEU 42 HD13 LEU 42 -0.655 -2.627 -0.325 329 HD21 LEU 42 HD21 LEU 42 2.748 -2.078 0.935 330 HD22 LEU 42 HD22 LEU 42 2.867 -3.571 1.851 331 HD23 LEU 42 HD23 LEU 42 1.790 -2.282 2.394 332 H VAL 43 HN VAL 43 -1.111 -6.811 1.613 333 HA VAL 43 HA VAL 43 -2.152 -6.586 4.231 334 HB VAL 43 HB VAL 43 -3.324 -6.617 1.990 335 HG11 VAL 43 HG11 VAL 43 -4.303 -8.746 1.387 336 HG12 VAL 43 HG12 VAL 43 -3.535 -9.520 2.773 337 HG13 VAL 43 HG13 VAL 43 -2.549 -8.916 1.440 338 HG21 VAL 43 HG21 VAL 43 -5.402 -7.507 3.254 339 HG22 VAL 43 HG22 VAL 43 -4.533 -6.156 3.990 340 HG23 VAL 43 HG23 VAL 43 -4.296 -7.797 4.596 341 H SER 44 HN SER 44 -0.258 -9.000 2.514 342 HA SER 44 HA SER 44 -1.048 -11.045 4.293 343 HB2 SER 44 HB2 SER 44 0.150 -11.576 2.177 344 HB3 SER 44 HB1 SER 44 1.539 -10.656 2.739 345 HG SER 44 HG SER 44 1.715 -12.937 3.084 346 H SER 45 HN SER 45 1.441 -8.749 3.856 347 HA SER 45 HA SER 45 2.909 -8.692 6.242 348 HB2 SER 45 HB2 SER 45 2.242 -6.570 4.215 349 HB3 SER 45 HB1 SER 45 3.360 -6.310 5.550 350 HG SER 45 HG SER 45 3.563 -7.970 3.303 351 H GLY 46 HN GLY 46 -0.313 -8.317 6.088 352 HA2 GLY 46 HA2 GLY 46 -1.989 -7.103 6.964 353 HA3 GLY 46 HA1 GLY 46 -1.191 -7.600 8.444 354 H ASN 47 HN ASN 47 0.568 -5.226 6.456 355 HA ASN 47 HA ASN 47 0.574 -3.267 8.495 356 HB2 ASN 47 HB2 ASN 47 1.953 -3.570 6.228 357 HB3 ASN 47 HB1 ASN 47 0.668 -2.569 5.544 358 HD21 ASN 47 HD21 ASN 47 2.261 -0.828 5.202 359 HD22 ASN 47 HD22 ASN 47 2.779 0.119 6.513 360 H ILE 48 HN ILE 48 -1.036 -3.528 5.491 361 HA ILE 48 HA ILE 48 -3.289 -1.825 6.370 362 HB ILE 48 HB ILE 48 -4.120 -2.101 4.041 363 HG12 ILE 48 HG12 ILE 48 -1.482 -3.421 3.540 364 HG13 ILE 48 HG11 ILE 48 -2.963 -4.327 3.728 365 HG21 ILE 48 HG21 ILE 48 -2.523 -0.254 4.772 366 HG22 ILE 48 HG22 ILE 48 -2.595 -0.588 3.042 367 HG23 ILE 48 HG23 ILE 48 -1.244 -1.193 4.001 368 HD11 ILE 48 HD11 ILE 48 -2.272 -2.321 1.571 369 HD12 ILE 48 HD12 ILE 48 -3.939 -2.818 1.884 370 HD13 ILE 48 HD13 ILE 48 -2.744 -4.010 1.375 371 H SER 49 HN SER 49 -5.443 -2.816 6.573 372 HA SER 49 HA SER 49 -5.163 -5.680 6.995 373 HB2 SER 49 HB2 SER 49 -7.269 -3.708 7.899 374 HB3 SER 49 HB1 SER 49 -7.263 -5.428 8.276 375 HG SER 49 HG SER 49 -5.847 -3.392 9.385 376 H GLN 50 HN GLN 50 -6.925 -6.980 6.457 377 HA GLN 50 HA GLN 50 -7.502 -7.163 3.814 378 HB2 GLN 50 HB2 GLN 50 -7.941 -8.883 5.638 379 HB3 GLN 50 HB1 GLN 50 -9.481 -8.053 5.869 380 HG2 GLN 50 HG2 GLN 50 -9.805 -9.892 4.314 381 HG3 GLN 50 HG1 GLN 50 -9.988 -8.384 3.459 382 HE21 GLN 50 HE21 GLN 50 -8.946 -8.458 1.454 383 HE22 GLN 50 HE22 GLN 50 -7.506 -9.295 1.140 384 H LYS 51 HN LYS 51 -8.957 -4.881 5.939 385 HA LYS 51 HA LYS 51 -11.390 -4.568 4.353 386 HB2 LYS 51 HB2 LYS 51 -11.996 -2.798 5.876 387 HB3 LYS 51 HB1 LYS 51 -11.386 -4.145 6.826 388 HG2 LYS 51 HG2 LYS 51 -9.193 -3.044 7.019 389 HG3 LYS 51 HG1 LYS 51 -9.788 -1.684 6.063 390 HD2 LYS 51 HD2 LYS 51 -11.570 -1.308 7.763 391 HD3 LYS 51 HD1 LYS 51 -10.879 -2.607 8.738 392 HE2 LYS 51 HE2 LYS 51 -9.401 -0.093 7.899 393 HE3 LYS 51 HE1 LYS 51 -10.111 -0.364 9.489 394 HZ1 LYS 51 HZ1 LYS 51 -7.697 -1.466 8.329 395 HZ2 LYS 51 HZ2 LYS 51 -8.648 -2.577 9.195 396 HZ3 LYS 51 HZ3 LYS 51 -8.083 -1.164 9.952 397 H GLN 52 HN GLN 52 -8.311 -3.205 4.918 398 HA GLN 52 HA GLN 52 -8.497 -1.012 3.058 399 HB2 GLN 52 HB2 GLN 52 -6.526 -2.156 4.937 400 HB3 GLN 52 HB1 GLN 52 -5.868 -1.413 3.503 401 HG2 GLN 52 HG2 GLN 52 -6.972 0.694 3.995 402 HG3 GLN 52 HG1 GLN 52 -7.826 -0.051 5.357 403 HE21 GLN 52 HE21 GLN 52 -4.801 1.432 4.387 404 HE22 GLN 52 HE22 GLN 52 -4.008 1.227 5.873 405 H ALA 53 HN ALA 53 -7.733 -4.422 2.990 406 HA ALA 53 HA ALA 53 -6.344 -4.130 0.395 407 HB1 ALA 53 HB1 ALA 53 -6.253 -6.619 0.401 408 HB2 ALA 53 HB2 ALA 53 -7.031 -6.604 1.977 409 HB3 ALA 53 HB3 ALA 53 -5.441 -5.875 1.772 410 H ASP 54 HN ASP 54 -9.265 -5.403 1.833 411 HA ASP 54 HA ASP 54 -10.495 -6.189 -0.604 412 HB2 ASP 54 HB2 ASP 54 -11.690 -5.478 2.063 413 HB3 ASP 54 HB1 ASP 54 -12.675 -5.988 0.697 414 H SER 55 HN SER 55 -10.486 -3.170 1.143 415 HA SER 55 HA SER 55 -12.469 -1.965 -0.497 416 HB2 SER 55 HB2 SER 55 -10.323 -0.766 1.254 417 HB3 SER 55 HB1 SER 55 -11.529 0.185 0.393 418 HG SER 55 HG SER 55 -13.077 -0.626 1.656 419 H TYR 56 HN TYR 56 -8.848 -2.147 -0.701 420 HA TYR 56 HA TYR 56 -8.840 -0.385 -2.969 421 HB2 TYR 56 HB2 TYR 56 -6.836 -1.056 -1.443 422 HB3 TYR 56 HB1 TYR 56 -6.648 -2.368 -2.626 423 HD1 TYR 56 HD1 TYR 56 -6.045 1.078 -1.976 424 HD2 TYR 56 HD2 TYR 56 -6.864 -1.681 -5.147 425 HE1 TYR 56 HE1 TYR 56 -5.228 2.740 -3.621 426 HE2 TYR 56 HE2 TYR 56 -6.054 -0.018 -6.793 427 HH TYR 56 HH TYR 56 -5.648 3.189 -6.139 428 H LYS 57 HN LYS 57 -8.878 -3.848 -2.542 429 HA LYS 57 HA LYS 57 -8.638 -4.698 -5.212 430 HB2 LYS 57 HB2 LYS 57 -8.598 -6.198 -3.209 431 HB3 LYS 57 HB1 LYS 57 -10.329 -5.941 -3.031 432 HG2 LYS 57 HG2 LYS 57 -10.732 -6.879 -5.259 433 HG3 LYS 57 HG1 LYS 57 -8.994 -7.100 -5.495 434 HD2 LYS 57 HD2 LYS 57 -8.925 -8.634 -3.561 435 HD3 LYS 57 HD1 LYS 57 -10.661 -8.420 -3.329 436 HE2 LYS 57 HE2 LYS 57 -11.085 -9.342 -5.574 437 HE3 LYS 57 HE1 LYS 57 -9.351 -9.540 -5.827 438 HZ1 LYS 57 HZ1 LYS 57 -9.428 -10.919 -3.704 439 HZ2 LYS 57 HZ2 LYS 57 -10.075 -11.614 -5.113 440 HZ3 LYS 57 HZ3 LYS 57 -11.109 -10.969 -3.928 441 H ALA 58 HN ALA 58 -11.025 -3.181 -3.481 442 HA ALA 58 HA ALA 58 -13.357 -3.758 -5.091 443 HB1 ALA 58 HB1 ALA 58 -14.475 -2.561 -3.523 444 HB2 ALA 58 HB2 ALA 58 -13.403 -1.170 -3.704 445 HB3 ALA 58 HB3 ALA 58 -12.946 -2.503 -2.641 446 H TYR 59 HN TYR 59 -10.828 -1.223 -5.033 447 HA TYR 59 HA TYR 59 -11.905 0.404 -7.095 448 HB2 TYR 59 HB2 TYR 59 -10.207 1.263 -5.587 449 HB3 TYR 59 HB1 TYR 59 -9.067 0.030 -6.118 450 HD1 TYR 59 HD1 TYR 59 -11.100 2.918 -7.341 451 HD2 TYR 59 HD2 TYR 59 -7.715 0.361 -8.015 452 HE1 TYR 59 HE1 TYR 59 -10.361 4.383 -9.203 453 HE2 TYR 59 HE2 TYR 59 -6.977 1.824 -9.875 454 HH TYR 59 HH TYR 59 -8.311 3.524 -11.515 455 H TYR 60 HN TYR 60 -9.563 -2.228 -7.059 456 HA TYR 60 HA TYR 60 -8.928 -2.262 -9.821 457 HB2 TYR 60 HB2 TYR 60 -7.552 -3.428 -8.139 458 HB3 TYR 60 HB1 TYR 60 -8.906 -4.503 -7.772 459 HD1 TYR 60 HD1 TYR 60 -6.686 -3.382 -10.565 460 HD2 TYR 60 HD2 TYR 60 -9.262 -6.456 -9.032 461 HE1 TYR 60 HE1 TYR 60 -6.004 -4.877 -12.422 462 HE2 TYR 60 HE2 TYR 60 -8.584 -7.950 -10.892 463 HH TYR 60 HH TYR 60 -6.271 -8.002 -12.453 464 H GLY 61 HN GLY 61 -11.261 -3.747 -7.751 465 HA2 GLY 61 HA2 GLY 61 -12.533 -5.568 -9.356 466 HA3 GLY 61 HA1 GLY 61 -13.291 -4.663 -8.059 467 H LYS 62 HN LYS 62 -13.162 -2.075 -9.042 468 HA LYS 62 HA LYS 62 -15.437 -1.954 -10.671 469 HB2 LYS 62 HB2 LYS 62 -13.321 0.091 -10.025 470 HB3 LYS 62 HB1 LYS 62 -14.737 0.468 -11.012 471 HG2 LYS 62 HG2 LYS 62 -16.168 -0.430 -9.123 472 HG3 LYS 62 HG1 LYS 62 -14.702 -0.512 -8.145 473 HD2 LYS 62 HD2 LYS 62 -15.648 2.018 -9.517 474 HD3 LYS 62 HD1 LYS 62 -16.044 1.613 -7.847 475 HE2 LYS 62 HE2 LYS 62 -13.636 1.492 -7.312 476 HE3 LYS 62 HE1 LYS 62 -13.247 1.932 -8.974 477 HZ1 LYS 62 HZ1 LYS 62 -14.284 4.032 -8.694 478 HZ2 LYS 62 HZ2 LYS 62 -13.250 3.813 -7.363 479 HZ3 LYS 62 HZ3 LYS 62 -14.925 3.598 -7.184 480 H HIS 63 HN HIS 63 -11.988 -1.729 -11.576 481 HA HIS 63 HA HIS 63 -12.866 -1.968 -14.396 482 HB2 HIS 63 HB2 HIS 63 -10.572 -0.339 -13.298 483 HB3 HIS 63 HB1 HIS 63 -10.885 -0.600 -15.016 484 HD1 HIS 63 HD1 HIS 63 -12.388 1.024 -11.949 485 HD2 HIS 63 HD2 HIS 63 -12.967 0.969 -16.078 486 HE1 HIS 63 HE1 HIS 63 -14.075 2.843 -12.460 487 HE2 HIS 63 HE2 HIS 63 -14.439 2.822 -14.973 488 H SER 64 HN SER 64 -12.434 -3.981 -14.972 489 HA SER 64 HA SER 64 -10.419 -5.677 -13.933 490 HB2 SER 64 HB2 SER 64 -12.421 -6.475 -15.124 491 HB3 SER 64 HB1 SER 64 -11.816 -5.709 -16.597 492 HG SER 64 HG SER 64 -11.132 -7.783 -16.725 493 H GLY 65 HN GLY 65 -10.621 -3.786 -16.910 494 HA2 GLY 65 HA2 GLY 65 -8.194 -4.552 -18.083 495 HA3 GLY 65 HA1 GLY 65 -9.061 -3.050 -18.419 496 H GLU 66 HN GLU 66 -8.982 -2.060 -15.751 497 HA GLU 66 HA GLU 66 -6.305 -0.910 -15.825 498 HB2 GLU 66 HB2 GLU 66 -8.637 -0.414 -13.967 499 HB3 GLU 66 HB1 GLU 66 -7.138 0.511 -13.973 500 HG2 GLU 66 HG2 GLU 66 -7.545 1.169 -16.311 501 HG3 GLU 66 HG1 GLU 66 -9.041 0.234 -16.315 502 H THR 67 HN THR 67 -4.794 -0.953 -14.126 503 HA THR 67 HA THR 67 -5.212 -3.121 -12.155 504 HB THR 67 HB THR 67 -3.638 -3.851 -13.893 505 HG1 THR 67 HG1 THR 67 -3.291 -4.397 -11.671 506 HG21 THR 67 HG21 THR 67 -2.916 -1.439 -14.408 507 HG22 THR 67 HG22 THR 67 -1.646 -2.665 -14.414 508 HG23 THR 67 HG23 THR 67 -1.830 -1.591 -13.026 509 H GLN 68 HN GLN 68 -5.283 -2.358 -10.206 510 HA GLN 68 HA GLN 68 -5.115 0.020 -9.189 511 HB2 GLN 68 HB2 GLN 68 -4.227 -0.994 -7.062 512 HB3 GLN 68 HB1 GLN 68 -5.632 -1.788 -7.770 513 HG2 GLN 68 HG2 GLN 68 -4.389 -3.598 -8.496 514 HG3 GLN 68 HG1 GLN 68 -2.896 -2.688 -8.568 515 HE21 GLN 68 HE21 GLN 68 -5.143 -2.806 -5.791 516 HE22 GLN 68 HE22 GLN 68 -4.022 -3.535 -4.747 517 H THR 69 HN THR 69 -3.931 1.253 -8.103 518 HA THR 69 HA THR 69 -1.647 2.375 -9.074 519 HB THR 69 HB THR 69 -2.489 2.403 -6.171 520 HG1 THR 69 HG1 THR 69 -3.967 3.742 -6.817 521 HG21 THR 69 HG21 THR 69 -0.710 4.232 -7.803 522 HG22 THR 69 HG22 THR 69 -0.233 3.256 -6.413 523 HG23 THR 69 HG23 THR 69 -1.326 4.624 -6.199 524 H VAL 70 HN VAL 70 -1.760 -0.405 -6.899 525 HA VAL 70 HA VAL 70 1.205 -0.354 -6.911 526 HB VAL 70 HB VAL 70 0.553 -0.033 -4.648 527 HG11 VAL 70 HG11 VAL 70 -0.909 -1.863 -3.541 528 HG12 VAL 70 HG12 VAL 70 -1.437 -2.216 -5.190 529 HG13 VAL 70 HG13 VAL 70 -1.715 -0.615 -4.499 530 HG21 VAL 70 HG21 VAL 70 1.137 -2.962 -5.074 531 HG22 VAL 70 HG22 VAL 70 1.438 -2.055 -3.591 532 HG23 VAL 70 HG23 VAL 70 2.345 -1.678 -5.056 533 H ALA 71 HN ALA 71 2.277 -2.499 -7.124 534 HA ALA 71 HA ALA 71 1.088 -3.903 -9.239 535 HB1 ALA 71 HB1 ALA 71 3.565 -3.670 -8.592 536 HB2 ALA 71 HB2 ALA 71 3.027 -5.193 -9.301 537 HB3 ALA 71 HB3 ALA 71 3.276 -5.069 -7.558 538 H ASN 72 HN ASN 72 -1.023 -4.496 -8.322 539 HA ASN 72 HA ASN 72 -1.685 -6.180 -6.305 540 HB2 ASN 72 HB2 ASN 72 -2.888 -5.309 -8.646 541 HB3 ASN 72 HB1 ASN 72 -2.885 -7.060 -8.819 542 HD21 ASN 72 HD21 ASN 72 -5.276 -5.418 -8.374 543 HD22 ASN 72 HD22 ASN 72 -5.939 -5.907 -6.881
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