NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17994 | 2db8 | 10299 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 15.091 -18.856 -10.375 2 HA2 GLY 1 1HA GLY 1 16.213 -16.524 -10.507 3 HA3 GLY 1 2HA GLY 1 16.757 -17.607 -9.234 4 H SER 2 H SER 2 18.539 -15.812 -9.820 5 HA SER 2 HA SER 2 20.440 -17.133 -11.646 6 HB2 SER 2 1HB SER 2 20.250 -14.184 -10.985 7 HB3 SER 2 2HB SER 2 21.439 -14.924 -12.056 8 HG SER 2 HG SER 2 20.011 -14.676 -13.563 9 H SER 3 H SER 3 22.776 -16.480 -11.091 10 HA SER 3 HA SER 3 23.122 -16.560 -8.164 11 HB2 SER 3 1HB SER 3 25.118 -17.985 -8.551 12 HB3 SER 3 2HB SER 3 23.629 -18.748 -9.108 13 HG SER 3 HG SER 3 25.710 -17.599 -10.620 14 H GLY 4 H GLY 4 23.143 -14.266 -10.016 15 HA2 GLY 4 1HA GLY 4 25.965 -13.440 -9.741 16 HA3 GLY 4 2HA GLY 4 24.853 -12.795 -10.940 17 H SER 5 H SER 5 22.846 -11.731 -9.943 18 HA SER 5 HA SER 5 23.808 -9.774 -8.028 19 HB2 SER 5 1HB SER 5 21.903 -8.468 -8.625 20 HB3 SER 5 2HB SER 5 22.498 -9.184 -10.123 21 HG SER 5 HG SER 5 20.844 -10.664 -10.059 22 H SER 6 H SER 6 22.818 -9.293 -6.054 23 HA SER 6 HA SER 6 20.922 -11.297 -5.035 24 HB2 SER 6 1HB SER 6 23.340 -11.686 -4.293 25 HB3 SER 6 2HB SER 6 23.178 -10.200 -3.357 26 HG SER 6 HG SER 6 21.297 -12.289 -3.119 27 H GLY 7 H GLY 7 19.108 -10.205 -4.649 28 HA2 GLY 7 1HA GLY 7 19.013 -8.149 -2.691 29 HA3 GLY 7 2HA GLY 7 18.837 -7.466 -4.301 30 HA PRO 8 HA PRO 8 15.042 -10.350 -3.265 31 HB2 PRO 8 1HB PRO 8 14.460 -10.420 -0.614 32 HB3 PRO 8 2HB PRO 8 15.497 -11.616 -1.402 33 HG2 PRO 8 1HG PRO 8 16.264 -9.210 0.206 34 HG3 PRO 8 2HG PRO 8 16.946 -10.847 0.246 35 HD2 PRO 8 1HD PRO 8 18.139 -8.803 -1.070 36 HD3 PRO 8 2HD PRO 8 18.245 -10.487 -1.623 37 H VAL 9 H VAL 9 12.852 -9.696 -2.721 38 HA VAL 9 HA VAL 9 12.306 -7.023 -3.171 39 HB VAL 9 HB VAL 9 10.008 -7.520 -2.266 40 HG11 VAL 9 1HG1 VAL 9 11.115 -9.515 -4.240 41 HG12 VAL 9 2HG1 VAL 9 9.425 -9.035 -4.071 42 HG13 VAL 9 3HG1 VAL 9 10.625 -7.865 -4.621 43 HG21 VAL 9 1HG2 VAL 9 10.585 -9.131 -0.563 44 HG22 VAL 9 2HG2 VAL 9 9.513 -9.887 -1.742 45 HG23 VAL 9 3HG2 VAL 9 11.242 -10.229 -1.777 46 HA PRO 10 HA PRO 10 12.847 -4.902 0.637 47 HB2 PRO 10 1HB PRO 10 10.920 -3.000 0.438 48 HB3 PRO 10 2HB PRO 10 12.403 -2.968 -0.523 49 HG2 PRO 10 1HG PRO 10 9.666 -3.904 -1.293 50 HG3 PRO 10 2HG PRO 10 10.817 -2.927 -2.223 51 HD2 PRO 10 1HD PRO 10 10.486 -5.581 -2.644 52 HD3 PRO 10 2HD PRO 10 12.046 -4.765 -2.872 53 H ALA 11 H ALA 11 12.196 -5.117 2.703 54 HA ALA 11 HA ALA 11 10.254 -6.877 3.516 55 HB1 ALA 11 1HB ALA 11 11.411 -6.468 5.373 56 HB2 ALA 11 2HB ALA 11 11.929 -4.886 4.789 57 HB3 ALA 11 3HB ALA 11 10.374 -5.061 5.603 58 H THR 12 H THR 12 8.105 -6.856 3.701 59 HA THR 12 HA THR 12 6.489 -4.919 2.563 60 HB THR 12 HB THR 12 5.735 -6.882 4.737 61 HG1 THR 12 1HG THR 12 5.573 -7.056 1.894 62 HG21 THR 12 1HG2 THR 12 3.865 -5.718 2.700 63 HG22 THR 12 2HG2 THR 12 4.171 -4.890 4.227 64 HG23 THR 12 3HG2 THR 12 3.488 -6.516 4.226 65 HA PRO 13 HA PRO 13 6.398 -1.647 5.523 66 HB2 PRO 13 1HB PRO 13 4.151 -0.399 4.650 67 HB3 PRO 13 2HB PRO 13 5.693 -0.313 3.790 68 HG2 PRO 13 1HG PRO 13 3.315 -2.050 3.249 69 HG3 PRO 13 2HG PRO 13 4.333 -1.158 2.103 70 HD2 PRO 13 1HD PRO 13 4.613 -3.816 2.538 71 HD3 PRO 13 2HD PRO 13 5.984 -2.766 2.125 72 H ILE 14 H ILE 14 5.089 -0.801 7.256 73 HA ILE 14 HA ILE 14 3.126 -2.764 8.229 74 HB ILE 14 HB ILE 14 4.806 -0.785 9.770 75 HG12 ILE 14 1HG1 ILE 14 4.876 -3.746 10.165 76 HG13 ILE 14 2HG1 ILE 14 5.710 -3.064 8.773 77 HG21 ILE 14 1HG2 ILE 14 2.307 -1.812 10.457 78 HG22 ILE 14 2HG2 ILE 14 3.470 -2.779 11.364 79 HG23 ILE 14 3HG2 ILE 14 3.465 -1.023 11.527 80 HD11 ILE 14 1HD1 ILE 14 6.476 -1.489 10.945 81 HD12 ILE 14 2HD1 ILE 14 6.519 -3.156 11.520 82 HD13 ILE 14 3HD1 ILE 14 7.443 -2.691 10.091 83 H LEU 15 H LEU 15 1.071 -2.177 8.124 84 HA LEU 15 HA LEU 15 0.234 0.454 7.493 85 HB2 LEU 15 1HB LEU 15 -1.178 -2.055 8.309 86 HB3 LEU 15 2HB LEU 15 -2.062 -0.537 8.164 87 HG LEU 15 HG LEU 15 -0.418 -1.495 5.862 88 HD11 LEU 15 1HD1 LEU 15 -2.096 -2.924 5.058 89 HD12 LEU 15 2HD1 LEU 15 -3.251 -2.397 6.281 90 HD13 LEU 15 3HD1 LEU 15 -1.868 -3.387 6.745 91 HD21 LEU 15 1HD2 LEU 15 -2.019 0.696 6.325 92 HD22 LEU 15 2HD2 LEU 15 -3.070 -0.386 5.410 93 HD23 LEU 15 3HD2 LEU 15 -1.509 0.099 4.746 94 H GLN 16 H GLN 16 0.540 2.064 8.905 95 HA GLN 16 HA GLN 16 -0.196 1.611 11.718 96 HB2 GLN 16 1HB GLN 16 1.858 3.310 10.394 97 HB3 GLN 16 2HB GLN 16 1.126 3.919 11.872 98 HG2 GLN 16 1HG GLN 16 1.759 1.778 12.980 99 HG3 GLN 16 2HG GLN 16 2.643 1.349 11.516 100 HE21 GLN 16 1HE2 GLN 16 3.614 1.771 14.234 101 HE22 GLN 16 2HE2 GLN 16 4.806 3.016 14.129 102 H LEU 17 H LEU 17 -2.307 1.973 10.068 103 HA LEU 17 HA LEU 17 -3.259 4.369 9.315 104 HB2 LEU 17 1HB LEU 17 -4.414 2.025 9.592 105 HB3 LEU 17 2HB LEU 17 -5.037 2.747 11.074 106 HG LEU 17 HG LEU 17 -6.651 2.917 9.257 107 HD11 LEU 17 1HD1 LEU 17 -7.343 4.957 9.893 108 HD12 LEU 17 2HD1 LEU 17 -5.819 5.728 9.454 109 HD13 LEU 17 3HD1 LEU 17 -5.964 4.876 10.991 110 HD21 LEU 17 1HD2 LEU 17 -5.428 4.925 7.652 111 HD22 LEU 17 2HD2 LEU 17 -6.029 3.339 7.171 112 HD23 LEU 17 3HD2 LEU 17 -4.360 3.522 7.712 113 H GLU 18 H GLU 18 -3.522 6.313 10.185 114 HA GLU 18 HA GLU 18 -3.764 6.517 13.115 115 HB2 GLU 18 1HB GLU 18 -1.556 7.279 12.327 116 HB3 GLU 18 2HB GLU 18 -2.341 8.434 11.260 117 HG2 GLU 18 1HG GLU 18 -1.796 9.767 13.033 118 HG3 GLU 18 2HG GLU 18 -3.440 9.295 13.458 119 H GLU 19 H GLU 19 -4.546 8.004 10.000 120 HA GLU 19 HA GLU 19 -6.466 9.802 11.200 121 HB2 GLU 19 1HB GLU 19 -4.996 10.221 9.102 122 HB3 GLU 19 2HB GLU 19 -6.217 9.285 8.252 123 HG2 GLU 19 1HG GLU 19 -7.874 10.869 8.624 124 HG3 GLU 19 2HG GLU 19 -6.986 11.627 9.945 125 H CYS 20 H CYS 20 -8.137 8.666 12.073 126 HA CYS 20 HA CYS 20 -9.779 7.122 10.183 127 HB2 CYS 20 1HB CYS 20 -10.376 5.580 12.018 128 HB3 CYS 20 2HB CYS 20 -8.658 5.532 11.646 129 HG CYS 20 HG CYS 20 -8.478 5.373 14.283 130 H CYS 21 H CYS 21 -9.728 8.851 13.284 131 HA CYS 21 HA CYS 21 -12.598 9.274 13.168 132 HB2 CYS 21 1HB CYS 21 -11.403 8.773 15.315 133 HB3 CYS 21 2HB CYS 21 -10.616 10.342 15.186 134 HG CYS 21 HG CYS 21 -12.749 10.348 17.087 135 H THR 22 H THR 22 -12.502 10.510 11.162 136 HA THR 22 HA THR 22 -11.903 13.342 11.692 137 HB THR 22 HB THR 22 -11.487 13.359 9.075 138 HG1 THR 22 1HG THR 22 -10.458 11.445 8.412 139 HG21 THR 22 1HG2 THR 22 -9.695 14.197 10.183 140 HG22 THR 22 2HG2 THR 22 -8.994 12.628 9.784 141 HG23 THR 22 3HG2 THR 22 -9.694 12.901 11.379 142 H HIS 23 H HIS 23 -13.124 14.846 10.335 143 HA HIS 23 HA HIS 23 -15.871 14.045 10.137 144 HB2 HIS 23 1HB HIS 23 -16.246 16.391 9.411 145 HB3 HIS 23 2HB HIS 23 -15.345 16.277 10.920 146 HD1 HIS 23 1HD HIS 23 -14.793 16.977 7.245 147 HD2 HIS 23 2HD HIS 23 -12.903 17.515 10.905 148 HE1 HIS 23 1HE HIS 23 -12.800 18.433 6.765 149 HE2 HIS 23 2HE HIS 23 -11.624 18.675 8.979 150 H ASN 24 H ASN 24 -13.308 14.886 7.851 151 HA ASN 24 HA ASN 24 -14.945 14.730 5.532 152 HB2 ASN 24 1HB ASN 24 -12.821 14.734 4.289 153 HB3 ASN 24 2HB ASN 24 -12.839 15.979 5.535 154 HD21 ASN 24 1HD2 ASN 24 -10.504 15.884 5.202 155 HD22 ASN 24 2HD2 ASN 24 -9.588 14.711 6.079 156 H ASN 25 H ASN 25 -14.174 13.135 3.713 157 HA ASN 25 HA ASN 25 -14.287 10.431 4.870 158 HB2 ASN 25 1HB ASN 25 -15.426 9.719 2.854 159 HB3 ASN 25 2HB ASN 25 -16.258 11.123 3.516 160 HD21 ASN 25 1HD2 ASN 25 -16.797 10.556 1.000 161 HD22 ASN 25 2HD2 ASN 25 -16.021 11.653 -0.086 162 H SER 26 H SER 26 -11.820 11.164 4.921 163 HA SER 26 HA SER 26 -10.590 9.905 2.566 164 HB2 SER 26 1HB SER 26 -8.787 11.507 2.559 165 HB3 SER 26 2HB SER 26 -10.307 12.400 2.509 166 HG SER 26 HG SER 26 -8.584 12.003 4.721 167 H ALA 27 H ALA 27 -9.265 8.281 3.052 168 HA ALA 27 HA ALA 27 -8.517 7.898 5.865 169 HB1 ALA 27 1HB ALA 27 -9.271 6.107 3.686 170 HB2 ALA 27 2HB ALA 27 -7.857 5.566 4.591 171 HB3 ALA 27 3HB ALA 27 -9.375 5.879 5.432 172 H THR 28 H THR 28 -6.631 8.959 6.183 173 HA THR 28 HA THR 28 -4.531 9.015 4.234 174 HB THR 28 HB THR 28 -4.402 9.780 7.157 175 HG1 THR 28 1HG THR 28 -5.936 10.875 5.499 176 HG21 THR 28 1HG2 THR 28 -2.190 9.686 6.488 177 HG22 THR 28 2HG2 THR 28 -2.604 11.355 6.099 178 HG23 THR 28 3HG2 THR 28 -2.565 10.136 4.825 179 H LEU 29 H LEU 29 -2.883 7.644 3.979 180 HA LEU 29 HA LEU 29 -2.542 5.515 5.981 181 HB2 LEU 29 1HB LEU 29 -2.339 5.601 3.023 182 HB3 LEU 29 2HB LEU 29 -1.236 4.527 3.880 183 HG LEU 29 HG LEU 29 -3.362 3.483 3.012 184 HD11 LEU 29 1HD1 LEU 29 -2.685 1.964 4.482 185 HD12 LEU 29 2HD1 LEU 29 -3.762 2.718 5.658 186 HD13 LEU 29 3HD1 LEU 29 -2.069 3.204 5.574 187 HD21 LEU 29 1HD2 LEU 29 -4.510 5.275 5.133 188 HD22 LEU 29 2HD2 LEU 29 -5.324 3.804 4.600 189 HD23 LEU 29 3HD2 LEU 29 -5.007 5.103 3.449 190 H SER 30 H SER 30 -0.721 5.452 7.116 191 HA SER 30 HA SER 30 1.686 6.732 6.018 192 HB2 SER 30 1HB SER 30 2.179 7.822 8.090 193 HB3 SER 30 2HB SER 30 0.506 8.215 7.696 194 HG SER 30 HG SER 30 -0.167 6.661 9.179 195 H TRP 31 H TRP 31 1.809 4.278 5.574 196 HA TRP 31 HA TRP 31 2.303 2.447 7.636 197 HB2 TRP 31 1HB TRP 31 3.492 1.125 5.866 198 HB3 TRP 31 2HB TRP 31 1.872 1.648 5.412 199 HD1 TRP 31 HD TRP 31 5.503 1.987 4.422 200 HE1 TRP 31 1HE TRP 31 5.667 3.347 2.242 201 HE3 TRP 31 3HE TRP 31 0.665 3.611 4.111 202 HZ2 TRP 31 2HZ TRP 31 3.971 4.902 0.608 203 HZ3 TRP 31 3HZ TRP 31 0.018 5.030 2.209 204 HH2 TRP 31 HH TRP 31 1.638 5.662 0.495 205 H LYS 32 H LYS 32 4.639 1.268 7.500 206 HA LYS 32 HA LYS 32 6.871 3.060 7.434 207 HB2 LYS 32 1HB LYS 32 7.412 3.143 9.741 208 HB3 LYS 32 2HB LYS 32 5.717 3.597 9.625 209 HG2 LYS 32 1HG LYS 32 4.986 1.640 10.592 210 HG3 LYS 32 2HG LYS 32 6.446 0.752 10.147 211 HD2 LYS 32 1HD LYS 32 7.609 2.460 11.756 212 HD3 LYS 32 2HD LYS 32 5.982 2.638 12.417 213 HE2 LYS 32 1HE LYS 32 5.879 0.224 12.801 214 HE3 LYS 32 2HE LYS 32 7.500 0.045 12.132 215 HZ1 LYS 32 1HZ LYS 32 8.244 1.601 13.934 216 HZ2 LYS 32 2HZ LYS 32 7.730 0.079 14.462 217 HZ3 LYS 32 3HZ LYS 32 6.715 1.421 14.636 218 H GLN 33 H GLN 33 8.866 1.989 7.605 219 HA GLN 33 HA GLN 33 8.767 -0.793 6.921 220 HB2 GLN 33 1HB GLN 33 10.923 1.264 7.170 221 HB3 GLN 33 2HB GLN 33 11.368 -0.436 7.114 222 HG2 GLN 33 1HG GLN 33 9.783 -0.426 5.009 223 HG3 GLN 33 2HG GLN 33 10.188 1.290 5.009 224 HE21 GLN 33 1HE2 GLN 33 10.948 -1.370 3.498 225 HE22 GLN 33 2HE2 GLN 33 12.644 -1.163 3.246 226 HA PRO 34 HA PRO 34 9.265 -2.564 10.915 227 HB2 PRO 34 1HB PRO 34 10.455 -4.904 10.223 228 HB3 PRO 34 2HB PRO 34 8.744 -4.573 9.929 229 HG2 PRO 34 1HG PRO 34 11.060 -4.395 8.040 230 HG3 PRO 34 2HG PRO 34 9.440 -5.062 7.765 231 HD2 PRO 34 1HD PRO 34 10.162 -2.594 6.916 232 HD3 PRO 34 2HD PRO 34 8.505 -2.984 7.420 233 HA PRO 35 HA PRO 35 13.326 -1.717 12.387 234 HB2 PRO 35 1HB PRO 35 13.434 -3.364 14.542 235 HB3 PRO 35 2HB PRO 35 12.457 -1.891 14.506 236 HG2 PRO 35 1HG PRO 35 11.619 -4.732 14.071 237 HG3 PRO 35 2HG PRO 35 10.812 -3.457 15.003 238 HD2 PRO 35 1HD PRO 35 10.031 -4.151 12.505 239 HD3 PRO 35 2HD PRO 35 9.888 -2.493 13.124 240 H LEU 36 H LEU 36 12.454 -4.743 11.143 241 HA LEU 36 HA LEU 36 15.209 -5.752 11.352 242 HB2 LEU 36 1HB LEU 36 12.617 -7.171 10.772 243 HB3 LEU 36 2HB LEU 36 14.201 -7.934 10.656 244 HG LEU 36 HG LEU 36 13.004 -6.790 13.179 245 HD11 LEU 36 1HD1 LEU 36 11.735 -8.674 12.860 246 HD12 LEU 36 2HD1 LEU 36 13.111 -9.344 13.736 247 HD13 LEU 36 3HD1 LEU 36 13.010 -9.521 11.984 248 HD21 LEU 36 1HD2 LEU 36 14.872 -8.012 14.259 249 HD22 LEU 36 2HD2 LEU 36 15.405 -6.680 13.234 250 HD23 LEU 36 3HD2 LEU 36 15.535 -8.343 12.659 251 H SER 37 H SER 37 13.427 -3.974 9.327 252 HA SER 37 HA SER 37 13.590 -5.175 6.820 253 HB2 SER 37 1HB SER 37 13.624 -2.792 5.950 254 HB3 SER 37 2HB SER 37 12.300 -3.178 7.048 255 HG SER 37 HG SER 37 13.656 -1.155 7.369 256 H THR 38 H THR 38 15.413 -6.134 6.144 257 HA THR 38 HA THR 38 17.984 -4.799 6.505 258 HB THR 38 HB THR 38 18.862 -6.954 5.427 259 HG1 THR 38 1HG THR 38 16.806 -7.624 4.584 260 HG21 THR 38 1HG2 THR 38 18.994 -8.009 7.497 261 HG22 THR 38 2HG2 THR 38 17.372 -7.502 7.969 262 HG23 THR 38 3HG2 THR 38 18.688 -6.329 7.937 263 H VAL 39 H VAL 39 15.667 -5.566 4.028 264 HA VAL 39 HA VAL 39 17.512 -4.706 1.921 265 HB VAL 39 HB VAL 39 14.719 -5.825 1.642 266 HG11 VAL 39 1HG1 VAL 39 16.461 -6.156 -0.627 267 HG12 VAL 39 2HG1 VAL 39 14.870 -5.396 -0.534 268 HG13 VAL 39 3HG1 VAL 39 16.321 -4.453 -0.191 269 HG21 VAL 39 1HG2 VAL 39 15.541 -7.925 1.590 270 HG22 VAL 39 2HG2 VAL 39 17.049 -7.431 0.820 271 HG23 VAL 39 3HG2 VAL 39 16.838 -7.223 2.559 272 HA PRO 40 HA PRO 40 15.688 -0.653 2.092 273 HB2 PRO 40 1HB PRO 40 17.025 0.356 -0.046 274 HB3 PRO 40 2HB PRO 40 17.775 0.134 1.539 275 HG2 PRO 40 1HG PRO 40 17.933 -1.606 -0.891 276 HG3 PRO 40 2HG PRO 40 19.223 -1.124 0.226 277 HD2 PRO 40 1HD PRO 40 18.015 -3.544 0.352 278 HD3 PRO 40 2HD PRO 40 18.631 -2.708 1.792 279 H ALA 41 H ALA 41 14.042 0.406 1.060 280 HA ALA 41 HA ALA 41 12.954 -0.911 -1.337 281 HB1 ALA 41 1HB ALA 41 11.433 -1.052 0.502 282 HB2 ALA 41 2HB ALA 41 11.578 0.676 0.822 283 HB3 ALA 41 3HB ALA 41 10.787 0.116 -0.651 284 H ASP 42 H ASP 42 11.970 0.416 -2.971 285 HA ASP 42 HA ASP 42 13.233 3.068 -3.160 286 HB2 ASP 42 1HB ASP 42 13.645 1.114 -4.882 287 HB3 ASP 42 2HB ASP 42 12.105 1.656 -5.544 288 H GLY 43 H GLY 43 10.223 1.345 -3.211 289 HA2 GLY 43 1HA GLY 43 8.752 3.804 -2.966 290 HA3 GLY 43 2HA GLY 43 8.476 2.993 -4.501 291 H TYR 44 H TYR 44 6.285 3.289 -3.133 292 HA TYR 44 HA TYR 44 5.713 0.601 -2.121 293 HB2 TYR 44 1HB TYR 44 4.704 3.084 -0.728 294 HB3 TYR 44 2HB TYR 44 4.509 1.413 -0.211 295 HD1 TYR 44 2HD TYR 44 7.285 3.768 -1.079 296 HD2 TYR 44 1HD TYR 44 5.870 0.695 1.501 297 HE1 TYR 44 2HE TYR 44 9.344 3.948 0.255 298 HE2 TYR 44 1HE TYR 44 7.925 0.867 2.843 299 HH TYR 44 HH TYR 44 10.425 3.268 2.074 300 H ILE 45 H ILE 45 3.751 -0.190 -2.704 301 HA ILE 45 HA ILE 45 2.066 1.575 -4.352 302 HB ILE 45 HB ILE 45 2.321 -1.433 -4.434 303 HG12 ILE 45 1HG1 ILE 45 2.967 0.358 -6.732 304 HG13 ILE 45 2HG1 ILE 45 4.129 0.248 -5.415 305 HG21 ILE 45 1HG2 ILE 45 0.045 -0.311 -4.954 306 HG22 ILE 45 2HG2 ILE 45 0.834 0.213 -6.440 307 HG23 ILE 45 3HG2 ILE 45 0.690 -1.507 -6.078 308 HD11 ILE 45 1HD1 ILE 45 4.325 -1.326 -7.468 309 HD12 ILE 45 2HD1 ILE 45 4.604 -1.958 -5.845 310 HD13 ILE 45 3HD1 ILE 45 3.061 -2.245 -6.650 311 H LEU 46 H LEU 46 -0.010 1.906 -3.818 312 HA LEU 46 HA LEU 46 -1.011 0.579 -1.404 313 HB2 LEU 46 1HB LEU 46 -1.533 3.191 -2.728 314 HB3 LEU 46 2HB LEU 46 -2.820 2.470 -1.763 315 HG LEU 46 HG LEU 46 -0.060 2.997 -0.679 316 HD11 LEU 46 1HD1 LEU 46 -2.491 4.755 -0.405 317 HD12 LEU 46 2HD1 LEU 46 -1.127 5.092 -1.470 318 HD13 LEU 46 3HD1 LEU 46 -0.888 5.036 0.276 319 HD21 LEU 46 1HD2 LEU 46 -2.724 2.487 0.641 320 HD22 LEU 46 2HD2 LEU 46 -1.212 2.838 1.478 321 HD23 LEU 46 3HD2 LEU 46 -1.377 1.353 0.540 322 H GLU 47 H GLU 47 -3.249 -0.096 -1.313 323 HA GLU 47 HA GLU 47 -4.611 -0.506 -3.851 324 HB2 GLU 47 1HB GLU 47 -3.708 -2.779 -2.079 325 HB3 GLU 47 2HB GLU 47 -4.920 -2.948 -3.341 326 HG2 GLU 47 1HG GLU 47 -3.030 -3.657 -4.421 327 HG3 GLU 47 2HG GLU 47 -3.073 -1.955 -4.876 328 H LEU 48 H LEU 48 -6.811 -0.703 -3.658 329 HA LEU 48 HA LEU 48 -8.068 -1.214 -1.121 330 HB2 LEU 48 1HB LEU 48 -7.488 1.114 -0.816 331 HB3 LEU 48 2HB LEU 48 -8.219 1.527 -2.365 332 HG LEU 48 HG LEU 48 -10.426 1.014 -1.488 333 HD11 LEU 48 1HD1 LEU 48 -10.415 0.736 1.135 334 HD12 LEU 48 2HD1 LEU 48 -8.845 0.000 0.815 335 HD13 LEU 48 3HD1 LEU 48 -10.297 -0.657 0.059 336 HD21 LEU 48 1HD2 LEU 48 -10.308 2.722 0.511 337 HD22 LEU 48 2HD2 LEU 48 -10.043 3.245 -1.152 338 HD23 LEU 48 3HD2 LEU 48 -8.666 2.963 -0.086 339 H ASP 49 H ASP 49 -10.102 -1.975 -1.374 340 HA ASP 49 HA ASP 49 -11.041 -2.374 -4.082 341 HB2 ASP 49 1HB ASP 49 -11.086 -4.161 -2.297 342 HB3 ASP 49 2HB ASP 49 -12.376 -3.249 -1.518 343 H ASP 50 H ASP 50 -13.399 -2.070 -4.560 344 HA ASP 50 HA ASP 50 -14.140 0.645 -3.853 345 HB2 ASP 50 1HB ASP 50 -15.770 0.481 -5.629 346 HB3 ASP 50 2HB ASP 50 -14.235 -0.160 -6.209 347 H GLY 51 H GLY 51 -14.313 -1.126 -1.692 348 HA2 GLY 51 1HA GLY 51 -15.747 -1.839 -0.044 349 HA3 GLY 51 2HA GLY 51 -16.782 -0.533 -0.603 350 H ASN 52 H ASN 52 -15.894 -3.243 -2.629 351 HA ASN 52 HA ASN 52 -18.709 -4.098 -2.590 352 HB2 ASN 52 1HB ASN 52 -18.163 -3.429 -4.789 353 HB3 ASN 52 2HB ASN 52 -16.588 -4.216 -4.727 354 HD21 ASN 52 1HD2 ASN 52 -16.402 -6.230 -5.462 355 HD22 ASN 52 2HD2 ASN 52 -17.719 -7.234 -5.954 356 H GLY 53 H GLY 53 -15.391 -5.176 -2.279 357 HA2 GLY 53 1HA GLY 53 -14.765 -7.018 -0.926 358 HA3 GLY 53 2HA GLY 53 -16.376 -7.688 -1.138 359 H GLY 54 H GLY 54 -14.252 -6.507 -3.699 360 HA2 GLY 54 1HA GLY 54 -14.196 -9.261 -4.766 361 HA3 GLY 54 2HA GLY 54 -14.208 -7.815 -5.765 362 H GLN 55 H GLN 55 -12.321 -7.293 -6.625 363 HA GLN 55 HA GLN 55 -9.878 -8.343 -5.386 364 HB2 GLN 55 1HB GLN 55 -10.487 -7.402 -8.186 365 HB3 GLN 55 2HB GLN 55 -8.854 -7.746 -7.632 366 HG2 GLN 55 1HG GLN 55 -9.411 -10.043 -7.232 367 HG3 GLN 55 2HG GLN 55 -11.110 -9.735 -7.588 368 HE21 GLN 55 1HE2 GLN 55 -10.005 -11.712 -8.939 369 HE22 GLN 55 2HE2 GLN 55 -9.682 -11.271 -10.578 370 H PHE 56 H PHE 56 -7.974 -6.996 -5.305 371 HA PHE 56 HA PHE 56 -8.665 -4.211 -4.718 372 HB2 PHE 56 1HB PHE 56 -6.192 -5.800 -4.000 373 HB3 PHE 56 2HB PHE 56 -6.529 -4.148 -3.492 374 HD1 PHE 56 1HD PHE 56 -8.264 -7.455 -3.467 375 HD2 PHE 56 2HD PHE 56 -7.286 -3.894 -1.350 376 HE1 PHE 56 1HE PHE 56 -9.448 -8.311 -1.486 377 HE2 PHE 56 2HE PHE 56 -8.467 -4.744 0.633 378 HZ PHE 56 HZ PHE 56 -9.549 -6.955 0.567 379 H ARG 57 H ARG 57 -7.791 -2.509 -5.777 380 HA ARG 57 HA ARG 57 -5.904 -3.117 -7.959 381 HB2 ARG 57 1HB ARG 57 -6.937 -1.404 -9.292 382 HB3 ARG 57 2HB ARG 57 -8.195 -2.491 -8.720 383 HG2 ARG 57 1HG ARG 57 -9.191 -0.476 -8.344 384 HG3 ARG 57 2HG ARG 57 -8.395 -0.724 -6.788 385 HD2 ARG 57 1HD ARG 57 -6.813 0.882 -7.187 386 HD3 ARG 57 2HD ARG 57 -6.884 0.669 -8.936 387 HE ARG 57 HE ARG 57 -8.413 2.352 -9.000 388 HH11 ARG 57 2HH1 ARG 57 -8.460 0.949 -5.814 389 HH12 ARG 57 1HH1 ARG 57 -9.610 2.085 -5.189 390 HH21 ARG 57 2HH2 ARG 57 -9.926 3.853 -8.189 391 HH22 ARG 57 1HH2 ARG 57 -10.444 3.736 -6.541 392 H GLU 58 H GLU 58 -4.565 -1.235 -8.635 393 HA GLU 58 HA GLU 58 -3.249 -0.123 -6.365 394 HB2 GLU 58 1HB GLU 58 -2.912 0.329 -9.330 395 HB3 GLU 58 2HB GLU 58 -1.896 1.097 -8.118 396 HG2 GLU 58 1HG GLU 58 -0.818 -0.840 -7.586 397 HG3 GLU 58 2HG GLU 58 -2.183 -1.857 -8.045 398 H VAL 59 H VAL 59 -3.391 1.854 -5.468 399 HA VAL 59 HA VAL 59 -5.286 3.757 -6.687 400 HB VAL 59 HB VAL 59 -5.432 4.629 -4.244 401 HG11 VAL 59 1HG1 VAL 59 -6.837 2.093 -4.219 402 HG12 VAL 59 2HG1 VAL 59 -7.474 3.736 -4.300 403 HG13 VAL 59 3HG1 VAL 59 -6.970 2.911 -5.775 404 HG21 VAL 59 1HG2 VAL 59 -5.002 3.083 -2.508 405 HG22 VAL 59 2HG2 VAL 59 -4.706 1.770 -3.648 406 HG23 VAL 59 3HG2 VAL 59 -3.553 3.097 -3.514 407 H TYR 60 H TYR 60 -2.165 3.310 -5.198 408 HA TYR 60 HA TYR 60 -1.221 5.790 -6.302 409 HB2 TYR 60 1HB TYR 60 -1.895 6.935 -4.430 410 HB3 TYR 60 2HB TYR 60 -1.786 5.520 -3.390 411 HD1 TYR 60 1HD TYR 60 0.478 4.752 -2.611 412 HD2 TYR 60 2HD TYR 60 -0.107 8.474 -4.587 413 HE1 TYR 60 1HE TYR 60 2.646 5.539 -1.757 414 HE2 TYR 60 2HE TYR 60 2.060 9.271 -3.740 415 HH TYR 60 HH TYR 60 4.161 8.367 -2.918 416 H VAL 61 H VAL 61 1.079 6.002 -6.193 417 HA VAL 61 HA VAL 61 2.700 4.009 -4.939 418 HB VAL 61 HB VAL 61 2.060 2.560 -6.696 419 HG11 VAL 61 1HG1 VAL 61 1.467 4.827 -8.107 420 HG12 VAL 61 2HG1 VAL 61 2.866 4.197 -8.978 421 HG13 VAL 61 3HG1 VAL 61 1.438 3.187 -8.753 422 HG21 VAL 61 1HG2 VAL 61 4.165 1.927 -7.008 423 HG22 VAL 61 2HG2 VAL 61 4.405 3.219 -8.184 424 HG23 VAL 61 3HG2 VAL 61 4.709 3.517 -6.473 425 H GLY 62 H GLY 62 4.649 4.859 -4.552 426 HA2 GLY 62 1HA GLY 62 6.098 6.453 -6.391 427 HA3 GLY 62 2HA GLY 62 5.312 7.482 -5.203 428 H LYS 63 H LYS 63 7.021 8.182 -4.039 429 HA LYS 63 HA LYS 63 8.588 6.120 -2.638 430 HB2 LYS 63 1HB LYS 63 10.480 7.840 -2.668 431 HB3 LYS 63 2HB LYS 63 10.140 6.997 -4.174 432 HG2 LYS 63 1HG LYS 63 8.822 8.947 -4.925 433 HG3 LYS 63 2HG LYS 63 9.289 9.792 -3.447 434 HD2 LYS 63 1HD LYS 63 11.409 8.623 -5.193 435 HD3 LYS 63 2HD LYS 63 10.640 10.140 -5.667 436 HE2 LYS 63 1HE LYS 63 12.353 10.971 -4.416 437 HE3 LYS 63 2HE LYS 63 11.151 10.758 -3.143 438 HZ1 LYS 63 1HZ LYS 63 13.398 9.887 -2.600 439 HZ2 LYS 63 2HZ LYS 63 13.207 8.729 -3.817 440 HZ3 LYS 63 3HZ LYS 63 12.169 8.731 -2.482 441 H GLU 64 H GLU 64 6.188 7.932 -2.036 442 HA GLU 64 HA GLU 64 7.236 9.497 0.192 443 HB2 GLU 64 1HB GLU 64 4.327 9.257 -0.504 444 HB3 GLU 64 2HB GLU 64 5.171 10.593 0.265 445 HG2 GLU 64 1HG GLU 64 6.180 11.241 -1.791 446 HG3 GLU 64 2HG GLU 64 5.606 9.782 -2.596 447 H THR 65 H THR 65 6.040 9.377 2.291 448 HA THR 65 HA THR 65 5.346 6.580 2.918 449 HB THR 65 HB THR 65 6.377 6.753 5.040 450 HG1 THR 65 1HG THR 65 6.966 8.666 5.956 451 HG21 THR 65 1HG2 THR 65 8.265 6.341 3.897 452 HG22 THR 65 2HG2 THR 65 8.660 8.032 4.204 453 HG23 THR 65 3HG2 THR 65 7.900 7.565 2.682 454 H MET 66 H MET 66 3.624 8.902 2.164 455 HA MET 66 HA MET 66 1.584 8.473 4.107 456 HB2 MET 66 1HB MET 66 2.996 10.157 5.280 457 HB3 MET 66 2HB MET 66 2.723 11.269 3.945 458 HG2 MET 66 1HG MET 66 0.556 11.670 4.534 459 HG3 MET 66 2HG MET 66 0.359 10.099 5.307 460 HE1 MET 66 1HE MET 66 -0.499 12.782 7.852 461 HE2 MET 66 2HE MET 66 0.330 13.854 6.724 462 HE3 MET 66 3HE MET 66 -0.764 12.610 6.117 463 H CYS 67 H CYS 67 -0.133 8.267 2.843 464 HA CYS 67 HA CYS 67 -0.756 10.352 0.910 465 HB2 CYS 67 1HB CYS 67 0.535 8.667 -0.364 466 HB3 CYS 67 2HB CYS 67 -0.627 7.436 0.116 467 HG CYS 67 HG CYS 67 -1.903 10.134 -1.447 468 H THR 68 H THR 68 -2.918 10.669 0.627 469 HA THR 68 HA THR 68 -4.733 8.790 1.990 470 HB THR 68 HB THR 68 -4.391 10.904 3.287 471 HG1 THR 68 1HG THR 68 -6.507 9.586 2.974 472 HG21 THR 68 1HG2 THR 68 -4.196 12.335 1.200 473 HG22 THR 68 2HG2 THR 68 -5.203 12.985 2.494 474 HG23 THR 68 3HG2 THR 68 -5.953 12.237 1.083 475 H VAL 69 H VAL 69 -6.902 8.713 1.174 476 HA VAL 69 HA VAL 69 -7.079 9.521 -1.654 477 HB VAL 69 HB VAL 69 -7.084 7.090 -1.341 478 HG11 VAL 69 1HG1 VAL 69 -8.531 5.935 0.023 479 HG12 VAL 69 2HG1 VAL 69 -8.267 7.396 0.977 480 HG13 VAL 69 3HG1 VAL 69 -9.737 7.221 0.016 481 HG21 VAL 69 1HG2 VAL 69 -9.677 8.326 -2.244 482 HG22 VAL 69 2HG2 VAL 69 -8.287 7.881 -3.234 483 HG23 VAL 69 3HG2 VAL 69 -9.276 6.626 -2.488 484 H ASP 70 H ASP 70 -8.978 10.431 -2.431 485 HA ASP 70 HA ASP 70 -10.831 11.398 -0.354 486 HB2 ASP 70 1HB ASP 70 -9.984 13.369 -1.158 487 HB3 ASP 70 2HB ASP 70 -9.628 12.694 -2.745 488 H GLY 71 H GLY 71 -13.040 11.333 -0.724 489 HA2 GLY 71 1HA GLY 71 -15.015 10.810 -1.843 490 HA3 GLY 71 2HA GLY 71 -14.066 10.326 -3.240 491 H LEU 72 H LEU 72 -14.637 9.286 0.122 492 HA LEU 72 HA LEU 72 -14.566 6.502 -0.836 493 HB2 LEU 72 1HB LEU 72 -13.959 7.677 1.868 494 HB3 LEU 72 2HB LEU 72 -14.135 5.947 1.579 495 HG LEU 72 HG LEU 72 -12.077 7.658 0.195 496 HD11 LEU 72 1HD1 LEU 72 -11.858 6.046 2.729 497 HD12 LEU 72 2HD1 LEU 72 -11.582 7.776 2.529 498 HD13 LEU 72 3HD1 LEU 72 -10.475 6.617 1.795 499 HD21 LEU 72 1HD2 LEU 72 -11.350 5.775 -0.798 500 HD22 LEU 72 2HD2 LEU 72 -12.991 5.207 -0.490 501 HD23 LEU 72 3HD2 LEU 72 -11.685 4.774 0.614 502 H HIS 73 H HIS 73 -16.360 5.316 -0.708 503 HA HIS 73 HA HIS 73 -18.850 6.394 -0.088 504 HB2 HIS 73 1HB HIS 73 -17.971 3.504 -0.199 505 HB3 HIS 73 2HB HIS 73 -19.652 4.021 -0.103 506 HD1 HIS 73 1HD HIS 73 -20.786 4.264 -2.285 507 HD2 HIS 73 2HD HIS 73 -16.664 4.640 -2.638 508 HE1 HIS 73 1HE HIS 73 -20.341 4.501 -4.748 509 HE2 HIS 73 2HE HIS 73 -17.834 4.641 -4.944 510 H PHE 74 H PHE 74 -20.349 5.823 1.616 511 HA PHE 74 HA PHE 74 -18.972 5.488 4.192 512 HB2 PHE 74 1HB PHE 74 -21.681 6.708 3.617 513 HB3 PHE 74 2HB PHE 74 -20.903 6.622 5.194 514 HD1 PHE 74 2HD PHE 74 -20.846 8.223 1.897 515 HD2 PHE 74 1HD PHE 74 -19.130 8.117 5.791 516 HE1 PHE 74 2HE PHE 74 -19.750 10.383 1.469 517 HE2 PHE 74 1HE PHE 74 -18.032 10.278 5.369 518 HZ PHE 74 HZ PHE 74 -18.340 11.413 3.206 519 H ASN 75 H ASN 75 -20.665 4.632 5.919 520 HA ASN 75 HA ASN 75 -21.377 2.569 6.686 521 HB2 ASN 75 1HB ASN 75 -23.384 4.031 5.916 522 HB3 ASN 75 2HB ASN 75 -23.515 2.873 4.596 523 HD21 ASN 75 1HD2 ASN 75 -24.162 3.512 7.868 524 HD22 ASN 75 2HD2 ASN 75 -24.862 1.986 8.273 525 H SER 76 H SER 76 -19.353 2.085 4.890 526 HA SER 76 HA SER 76 -20.156 -0.506 3.855 527 HB2 SER 76 1HB SER 76 -19.088 1.702 2.094 528 HB3 SER 76 2HB SER 76 -19.000 -0.001 1.642 529 HG SER 76 HG SER 76 -21.390 0.079 2.134 530 H THR 77 H THR 77 -18.638 -1.957 4.307 531 HA THR 77 HA THR 77 -16.245 -1.269 5.622 532 HB THR 77 HB THR 77 -16.759 -3.914 4.265 533 HG1 THR 77 1HG THR 77 -18.574 -3.427 5.530 534 HG21 THR 77 1HG2 THR 77 -14.545 -3.756 5.151 535 HG22 THR 77 2HG2 THR 77 -15.487 -4.743 6.269 536 HG23 THR 77 3HG2 THR 77 -15.137 -3.060 6.659 537 H TYR 78 H TYR 78 -14.160 -1.095 4.946 538 HA TYR 78 HA TYR 78 -13.624 -1.467 2.076 539 HB2 TYR 78 1HB TYR 78 -13.223 0.946 3.765 540 HB3 TYR 78 2HB TYR 78 -11.963 0.569 2.595 541 HD1 TYR 78 2HD TYR 78 -12.592 0.371 0.159 542 HD2 TYR 78 1HD TYR 78 -15.255 1.932 3.087 543 HE1 TYR 78 2HE TYR 78 -13.926 1.420 -1.622 544 HE2 TYR 78 1HE TYR 78 -16.597 2.984 1.314 545 HH TYR 78 HH TYR 78 -15.943 2.388 -2.083 546 H ASN 79 H ASN 79 -11.755 -2.472 1.580 547 HA ASN 79 HA ASN 79 -9.937 -3.108 3.811 548 HB2 ASN 79 1HB ASN 79 -10.549 -4.769 1.355 549 HB3 ASN 79 2HB ASN 79 -9.414 -5.206 2.629 550 HD21 ASN 79 1HD2 ASN 79 -12.790 -4.632 1.885 551 HD22 ASN 79 2HD2 ASN 79 -13.431 -5.562 3.192 552 H ALA 80 H ALA 80 -8.029 -2.153 3.659 553 HA ALA 80 HA ALA 80 -6.943 -1.589 0.976 554 HB1 ALA 80 1HB ALA 80 -6.299 -0.007 3.451 555 HB2 ALA 80 2HB ALA 80 -5.970 0.411 1.769 556 HB3 ALA 80 3HB ALA 80 -7.628 0.408 2.368 557 H ARG 81 H ARG 81 -4.564 -1.516 0.862 558 HA ARG 81 HA ARG 81 -3.013 -2.746 2.930 559 HB2 ARG 81 1HB ARG 81 -2.404 -4.775 1.739 560 HB3 ARG 81 2HB ARG 81 -4.143 -4.728 1.992 561 HG2 ARG 81 1HG ARG 81 -4.220 -3.719 -0.388 562 HG3 ARG 81 2HG ARG 81 -2.594 -4.388 -0.538 563 HD2 ARG 81 1HD ARG 81 -3.529 -6.598 0.165 564 HD3 ARG 81 2HD ARG 81 -5.137 -5.882 0.078 565 HE ARG 81 HE ARG 81 -3.858 -5.433 -2.362 566 HH11 ARG 81 2HH1 ARG 81 -5.074 -8.091 -0.472 567 HH12 ARG 81 1HH1 ARG 81 -5.424 -9.082 -1.850 568 HH21 ARG 81 2HH2 ARG 81 -4.313 -6.728 -4.184 569 HH22 ARG 81 1HH2 ARG 81 -4.989 -8.306 -3.961 570 H VAL 82 H VAL 82 -0.918 -2.190 2.732 571 HA VAL 82 HA VAL 82 -0.078 -0.979 0.178 572 HB VAL 82 HB VAL 82 -0.257 0.606 2.101 573 HG11 VAL 82 1HG1 VAL 82 2.159 0.016 3.438 574 HG12 VAL 82 2HG1 VAL 82 0.521 0.018 4.095 575 HG13 VAL 82 3HG1 VAL 82 1.199 -1.463 3.418 576 HG21 VAL 82 1HG2 VAL 82 1.321 0.855 0.135 577 HG22 VAL 82 2HG2 VAL 82 1.731 1.774 1.583 578 HG23 VAL 82 3HG2 VAL 82 2.598 0.285 1.209 579 H LYS 83 H LYS 83 2.009 -1.376 -0.580 580 HA LYS 83 HA LYS 83 3.644 -3.325 0.858 581 HB2 LYS 83 1HB LYS 83 3.940 -4.634 -1.268 582 HB3 LYS 83 2HB LYS 83 2.345 -4.764 -0.537 583 HG2 LYS 83 1HG LYS 83 1.323 -3.619 -2.224 584 HG3 LYS 83 2HG LYS 83 2.768 -2.685 -2.616 585 HD2 LYS 83 1HD LYS 83 3.731 -4.984 -3.360 586 HD3 LYS 83 2HD LYS 83 2.036 -5.474 -3.419 587 HE2 LYS 83 1HE LYS 83 1.700 -3.342 -4.829 588 HE3 LYS 83 2HE LYS 83 3.452 -3.375 -5.026 589 HZ1 LYS 83 1HZ LYS 83 2.702 -4.558 -6.841 590 HZ2 LYS 83 2HZ LYS 83 1.447 -5.307 -5.989 591 HZ3 LYS 83 3HZ LYS 83 3.047 -5.799 -5.743 592 H ALA 84 H ALA 84 5.823 -3.542 -0.073 593 HA ALA 84 HA ALA 84 6.704 -0.975 -1.189 594 HB1 ALA 84 1HB ALA 84 7.986 -1.234 0.671 595 HB2 ALA 84 2HB ALA 84 7.947 -2.996 0.590 596 HB3 ALA 84 3HB ALA 84 9.009 -2.088 -0.485 597 H PHE 85 H PHE 85 8.134 -0.875 -2.944 598 HA PHE 85 HA PHE 85 8.679 -3.342 -4.406 599 HB2 PHE 85 1HB PHE 85 7.584 -2.751 -6.365 600 HB3 PHE 85 2HB PHE 85 6.460 -2.169 -5.140 601 HD1 PHE 85 1HD PHE 85 8.908 -1.203 -7.682 602 HD2 PHE 85 2HD PHE 85 6.120 0.187 -4.781 603 HE1 PHE 85 1HE PHE 85 9.015 1.050 -8.663 604 HE2 PHE 85 2HE PHE 85 6.223 2.442 -5.758 605 HZ PHE 85 HZ PHE 85 7.671 2.876 -7.702 606 H ASN 86 H ASN 86 10.514 -3.276 -5.648 607 HA ASN 86 HA ASN 86 11.849 -0.754 -6.157 608 HB2 ASN 86 1HB ASN 86 13.941 -1.436 -5.041 609 HB3 ASN 86 2HB ASN 86 12.616 -1.263 -3.894 610 HD21 ASN 86 1HD2 ASN 86 14.138 -2.582 -2.601 611 HD22 ASN 86 2HD2 ASN 86 14.031 -4.301 -2.737 612 H LYS 87 H LYS 87 14.253 -1.493 -6.996 613 HA LYS 87 HA LYS 87 13.999 -2.436 -9.516 614 HB2 LYS 87 1HB LYS 87 16.294 -2.706 -7.589 615 HB3 LYS 87 2HB LYS 87 16.419 -3.279 -9.247 616 HG2 LYS 87 1HG LYS 87 16.416 -1.171 -10.126 617 HG3 LYS 87 2HG LYS 87 15.494 -0.493 -8.782 618 HD2 LYS 87 1HD LYS 87 17.564 0.386 -8.341 619 HD3 LYS 87 2HD LYS 87 17.661 -1.116 -7.419 620 HE2 LYS 87 1HE LYS 87 18.583 -0.963 -10.271 621 HE3 LYS 87 2HE LYS 87 19.636 -0.490 -8.939 622 HZ1 LYS 87 1HZ LYS 87 18.397 -3.013 -8.463 623 HZ2 LYS 87 2HZ LYS 87 20.038 -2.606 -8.456 624 HZ3 LYS 87 3HZ LYS 87 19.278 -3.024 -9.908 625 H THR 88 H THR 88 14.507 -4.416 -6.626 626 HA THR 88 HA THR 88 14.861 -6.899 -7.778 627 HB THR 88 HB THR 88 13.254 -6.357 -5.274 628 HG1 THR 88 1HG THR 88 15.645 -5.587 -5.656 629 HG21 THR 88 1HG2 THR 88 14.867 -8.776 -6.096 630 HG22 THR 88 2HG2 THR 88 13.107 -8.666 -6.136 631 HG23 THR 88 3HG2 THR 88 13.962 -8.581 -4.596 632 H GLY 89 H GLY 89 11.734 -5.943 -6.359 633 HA2 GLY 89 1HA GLY 89 10.246 -6.527 -8.721 634 HA3 GLY 89 2HA GLY 89 10.186 -7.870 -7.589 635 H VAL 90 H VAL 90 8.692 -7.825 -6.032 636 HA VAL 90 HA VAL 90 7.669 -5.316 -5.010 637 HB VAL 90 HB VAL 90 5.259 -6.367 -5.443 638 HG11 VAL 90 1HG1 VAL 90 5.109 -4.895 -7.460 639 HG12 VAL 90 2HG1 VAL 90 5.818 -4.123 -6.040 640 HG13 VAL 90 3HG1 VAL 90 6.855 -4.674 -7.356 641 HG21 VAL 90 1HG2 VAL 90 5.144 -7.266 -7.742 642 HG22 VAL 90 2HG2 VAL 90 6.906 -7.301 -7.792 643 HG23 VAL 90 3HG2 VAL 90 6.037 -8.317 -6.643 644 H SER 91 H SER 91 6.728 -5.505 -3.002 645 HA SER 91 HA SER 91 7.118 -8.079 -1.689 646 HB2 SER 91 1HB SER 91 6.179 -5.668 -0.199 647 HB3 SER 91 2HB SER 91 7.314 -6.923 0.296 648 HG SER 91 HG SER 91 8.297 -4.862 -0.168 649 HA PRO 92 HA PRO 92 2.877 -9.174 -1.420 650 HB2 PRO 92 1HB PRO 92 2.783 -10.368 1.016 651 HB3 PRO 92 2HB PRO 92 3.562 -11.108 -0.387 652 HG2 PRO 92 1HG PRO 92 4.795 -9.610 1.893 653 HG3 PRO 92 2HG PRO 92 5.342 -11.104 1.109 654 HD2 PRO 92 1HD PRO 92 6.433 -8.688 0.560 655 HD3 PRO 92 2HD PRO 92 6.304 -9.976 -0.655 656 H TYR 93 H TYR 93 0.953 -8.349 -0.749 657 HA TYR 93 HA TYR 93 0.808 -5.883 0.501 658 HB2 TYR 93 1HB TYR 93 -1.344 -8.003 0.324 659 HB3 TYR 93 2HB TYR 93 -1.618 -6.306 0.702 660 HD1 TYR 93 1HD TYR 93 0.002 -4.875 -1.211 661 HD2 TYR 93 2HD TYR 93 -2.265 -8.435 -1.753 662 HE1 TYR 93 1HE TYR 93 -0.205 -4.372 -3.610 663 HE2 TYR 93 2HE TYR 93 -2.477 -7.942 -4.153 664 HH TYR 93 HH TYR 93 -0.621 -5.564 -5.712 665 H SER 94 H SER 94 0.039 -5.222 2.555 666 HA SER 94 HA SER 94 1.037 -6.839 4.711 667 HB2 SER 94 1HB SER 94 -0.548 -4.326 5.132 668 HB3 SER 94 2HB SER 94 0.824 -4.943 6.051 669 HG SER 94 HG SER 94 0.771 -3.416 3.749 670 H LYS 95 H LYS 95 -0.532 -6.547 6.817 671 HA LYS 95 HA LYS 95 -2.564 -8.463 6.446 672 HB2 LYS 95 1HB LYS 95 -1.244 -7.706 8.594 673 HB3 LYS 95 2HB LYS 95 -2.598 -6.600 8.787 674 HG2 LYS 95 1HG LYS 95 -3.992 -8.815 8.410 675 HG3 LYS 95 2HG LYS 95 -2.509 -9.555 9.017 676 HD2 LYS 95 1HD LYS 95 -2.677 -7.815 10.912 677 HD3 LYS 95 2HD LYS 95 -4.350 -7.619 10.384 678 HE2 LYS 95 1HE LYS 95 -4.583 -10.124 10.618 679 HE3 LYS 95 2HE LYS 95 -3.011 -10.111 11.416 680 HZ1 LYS 95 1HZ LYS 95 -3.950 -8.539 13.046 681 HZ2 LYS 95 2HZ LYS 95 -4.728 -10.041 13.060 682 HZ3 LYS 95 3HZ LYS 95 -5.468 -8.712 12.320 683 H THR 96 H THR 96 -4.435 -8.171 5.446 684 HA THR 96 HA THR 96 -5.601 -6.008 4.426 685 HB THR 96 HB THR 96 -7.350 -7.933 5.942 686 HG1 THR 96 1HG THR 96 -5.649 -8.402 3.762 687 HG21 THR 96 1HG2 THR 96 -7.913 -7.150 3.156 688 HG22 THR 96 2HG2 THR 96 -8.005 -5.850 4.343 689 HG23 THR 96 3HG2 THR 96 -9.001 -7.292 4.536 690 H LEU 97 H LEU 97 -5.947 -4.043 5.213 691 HA LEU 97 HA LEU 97 -6.697 -3.733 8.029 692 HB2 LEU 97 1HB LEU 97 -4.846 -2.394 7.537 693 HB3 LEU 97 2HB LEU 97 -5.510 -1.895 5.983 694 HG LEU 97 HG LEU 97 -7.330 -0.748 7.503 695 HD11 LEU 97 1HD1 LEU 97 -5.092 -1.364 9.356 696 HD12 LEU 97 2HD1 LEU 97 -6.826 -1.283 9.661 697 HD13 LEU 97 3HD1 LEU 97 -5.890 0.202 9.498 698 HD21 LEU 97 1HD2 LEU 97 -4.743 0.086 6.444 699 HD22 LEU 97 2HD2 LEU 97 -5.325 1.107 7.759 700 HD23 LEU 97 3HD2 LEU 97 -6.323 0.862 6.324 701 H VAL 98 H VAL 98 -8.790 -3.576 8.454 702 HA VAL 98 HA VAL 98 -10.655 -2.715 6.397 703 HB VAL 98 HB VAL 98 -11.289 -3.572 9.220 704 HG11 VAL 98 1HG1 VAL 98 -13.071 -3.812 6.824 705 HG12 VAL 98 2HG1 VAL 98 -13.501 -3.792 8.535 706 HG13 VAL 98 3HG1 VAL 98 -12.979 -2.307 7.739 707 HG21 VAL 98 1HG2 VAL 98 -11.863 -5.774 8.062 708 HG22 VAL 98 2HG2 VAL 98 -10.869 -5.193 6.726 709 HG23 VAL 98 3HG2 VAL 98 -10.155 -5.420 8.322 710 H LEU 99 H LEU 99 -11.661 -0.795 6.325 711 HA LEU 99 HA LEU 99 -11.203 1.068 8.561 712 HB2 LEU 99 1HB LEU 99 -11.475 1.613 5.611 713 HB3 LEU 99 2HB LEU 99 -11.445 2.868 6.847 714 HG LEU 99 HG LEU 99 -9.146 1.807 7.476 715 HD11 LEU 99 1HD1 LEU 99 -9.752 0.623 4.811 716 HD12 LEU 99 2HD1 LEU 99 -8.920 -0.080 6.197 717 HD13 LEU 99 3HD1 LEU 99 -8.095 1.101 5.181 718 HD21 LEU 99 1HD2 LEU 99 -9.417 4.065 6.644 719 HD22 LEU 99 2HD2 LEU 99 -9.570 3.467 4.992 720 HD23 LEU 99 3HD2 LEU 99 -8.040 3.295 5.855 721 H GLN 100 H GLN 100 -13.154 0.268 9.553 722 HA GLN 100 HA GLN 100 -15.677 0.252 8.373 723 HB2 GLN 100 1HB GLN 100 -14.714 0.531 11.196 724 HB3 GLN 100 2HB GLN 100 -16.425 0.723 10.837 725 HG2 GLN 100 1HG GLN 100 -16.360 -1.497 11.328 726 HG3 GLN 100 2HG GLN 100 -16.095 -1.556 9.586 727 HE21 GLN 100 1HE2 GLN 100 -15.346 -3.700 10.932 728 HE22 GLN 100 2HE2 GLN 100 -13.628 -3.787 11.095 729 H THR 101 H THR 101 -16.683 1.876 7.405 730 HA THR 101 HA THR 101 -16.147 4.625 8.215 731 HB THR 101 HB THR 101 -17.534 5.217 6.211 732 HG1 THR 101 1HG THR 101 -17.674 3.212 4.756 733 HG21 THR 101 1HG2 THR 101 -15.206 5.236 5.862 734 HG22 THR 101 2HG2 THR 101 -15.850 4.258 4.543 735 HG23 THR 101 3HG2 THR 101 -15.097 3.478 5.933 736 H SER 102 H SER 102 -17.662 6.027 9.021 737 HA SER 102 HA SER 102 -19.941 4.822 10.321 738 HB2 SER 102 1HB SER 102 -19.010 7.704 10.293 739 HB3 SER 102 2HB SER 102 -20.245 7.031 11.355 740 HG SER 102 HG SER 102 -18.038 7.201 12.228 741 H GLU 103 H GLU 103 -22.115 5.559 10.105 742 HA GLU 103 HA GLU 103 -23.098 5.672 7.535 743 HB2 GLU 103 1HB GLU 103 -25.218 6.382 8.500 744 HB3 GLU 103 2HB GLU 103 -24.469 5.152 9.509 745 HG2 GLU 103 1HG GLU 103 -23.517 7.239 10.785 746 HG3 GLU 103 2HG GLU 103 -24.900 8.043 10.044 747 H GLY 104 H GLY 104 -22.991 7.154 5.991 748 HA2 GLY 104 1HA GLY 104 -22.143 9.855 6.629 749 HA3 GLY 104 2HA GLY 104 -22.340 9.173 5.021 750 H SER 105 H SER 105 -23.572 11.346 7.202 751 HA SER 105 HA SER 105 -26.145 11.424 5.770 752 HB2 SER 105 1HB SER 105 -27.304 12.029 7.769 753 HB3 SER 105 2HB SER 105 -26.319 10.623 8.172 754 HG SER 105 HG SER 105 -26.327 12.681 9.568 755 H GLY 106 H GLY 106 -26.755 13.362 4.970 756 HA2 GLY 106 1HA GLY 106 -24.901 15.413 4.613 757 HA3 GLY 106 2HA GLY 106 -26.633 15.570 4.358 758 HA PRO 107 HA PRO 107 -24.988 17.756 8.331 759 HB2 PRO 107 1HB PRO 107 -24.200 20.160 7.347 760 HB3 PRO 107 2HB PRO 107 -23.095 18.795 7.546 761 HG2 PRO 107 1HG PRO 107 -24.490 19.759 5.078 762 HG3 PRO 107 2HG PRO 107 -22.813 19.218 5.277 763 HD2 PRO 107 1HD PRO 107 -24.745 17.627 4.242 764 HD3 PRO 107 2HD PRO 107 -23.391 16.988 5.196 765 H SER 108 H SER 108 -27.000 18.082 9.122 766 HA SER 108 HA SER 108 -28.526 20.339 8.012 767 HB2 SER 108 1HB SER 108 -29.530 18.148 7.322 768 HB3 SER 108 2HB SER 108 -29.774 17.775 9.028 769 HG SER 108 HG SER 108 -30.868 20.018 8.911 770 H SER 109 H SER 109 -28.548 18.082 10.778 771 HA SER 109 HA SER 109 -29.777 19.742 12.616 772 HB2 SER 109 1HB SER 109 -28.612 18.360 14.357 773 HB3 SER 109 2HB SER 109 -29.433 17.409 13.120 774 HG SER 109 HG SER 109 -26.926 17.233 13.826 775 H GLY 110 H GLY 110 -28.948 21.007 14.368 776 HA2 GLY 110 1HA GLY 110 -26.345 21.716 14.882 777 HA3 GLY 110 2HA GLY 110 -26.835 22.758 13.554 Start of MODEL 2 1 H1 GLY 1 H GLY 1 17.523 -23.968 3.736 2 HA2 GLY 1 1HA GLY 1 19.316 -22.436 5.083 3 HA3 GLY 1 2HA GLY 1 19.796 -23.818 4.110 4 H SER 2 H SER 2 18.497 -20.660 3.133 5 HA SER 2 HA SER 2 19.974 -20.289 0.875 6 HB2 SER 2 1HB SER 2 19.690 -17.840 1.236 7 HB3 SER 2 2HB SER 2 18.203 -18.751 1.502 8 HG SER 2 HG SER 2 19.976 -18.018 3.588 9 H SER 3 H SER 3 22.056 -20.081 0.410 10 HA SER 3 HA SER 3 23.998 -19.879 2.536 11 HB2 SER 3 1HB SER 3 24.230 -20.226 -0.454 12 HB3 SER 3 2HB SER 3 25.639 -20.039 0.590 13 HG SER 3 HG SER 3 23.658 -22.064 0.794 14 H GLY 4 H GLY 4 22.666 -17.821 0.049 15 HA2 GLY 4 1HA GLY 4 23.583 -15.456 1.306 16 HA3 GLY 4 2HA GLY 4 24.607 -15.826 -0.073 17 H SER 5 H SER 5 22.308 -13.824 0.717 18 HA SER 5 HA SER 5 20.737 -14.142 -1.749 19 HB2 SER 5 1HB SER 5 20.166 -12.842 0.894 20 HB3 SER 5 2HB SER 5 19.302 -12.308 -0.548 21 HG SER 5 HG SER 5 18.685 -14.525 -0.848 22 H SER 6 H SER 6 20.537 -12.464 -3.211 23 HA SER 6 HA SER 6 22.610 -10.398 -2.997 24 HB2 SER 6 1HB SER 6 22.590 -10.257 -5.365 25 HB3 SER 6 2HB SER 6 22.490 -11.980 -5.002 26 HG SER 6 HG SER 6 20.632 -12.028 -5.964 27 H GLY 7 H GLY 7 20.554 -9.802 -1.393 28 HA2 GLY 7 1HA GLY 7 19.297 -7.914 -0.918 29 HA3 GLY 7 2HA GLY 7 19.540 -7.377 -2.574 30 HA PRO 8 HA PRO 8 15.713 -10.381 -2.435 31 HB2 PRO 8 1HB PRO 8 14.538 -10.579 0.004 32 HB3 PRO 8 2HB PRO 8 15.787 -11.698 -0.553 33 HG2 PRO 8 1HG PRO 8 16.039 -9.326 1.256 34 HG3 PRO 8 2HG PRO 8 16.775 -10.932 1.408 35 HD2 PRO 8 1HD PRO 8 18.136 -8.790 0.463 36 HD3 PRO 8 2HD PRO 8 18.452 -10.445 -0.097 37 H VAL 9 H VAL 9 13.283 -9.943 -1.649 38 HA VAL 9 HA VAL 9 12.664 -7.320 -2.494 39 HB VAL 9 HB VAL 9 10.317 -7.911 -1.734 40 HG11 VAL 9 1HG1 VAL 9 11.351 -8.327 -4.023 41 HG12 VAL 9 2HG1 VAL 9 11.519 -10.009 -3.517 42 HG13 VAL 9 3HG1 VAL 9 9.920 -9.270 -3.609 43 HG21 VAL 9 1HG2 VAL 9 11.287 -9.576 -0.010 44 HG22 VAL 9 2HG2 VAL 9 9.812 -10.009 -0.873 45 HG23 VAL 9 3HG2 VAL 9 11.358 -10.695 -1.371 46 HA PRO 10 HA PRO 10 12.718 -4.961 1.210 47 HB2 PRO 10 1HB PRO 10 10.704 -3.204 0.731 48 HB3 PRO 10 2HB PRO 10 12.264 -3.127 -0.098 49 HG2 PRO 10 1HG PRO 10 9.670 -4.283 -1.045 50 HG3 PRO 10 2HG PRO 10 10.838 -3.284 -1.929 51 HD2 PRO 10 1HD PRO 10 10.709 -5.973 -2.216 52 HD3 PRO 10 2HD PRO 10 12.231 -5.070 -2.357 53 H ALA 11 H ALA 11 12.041 -5.561 3.161 54 HA ALA 11 HA ALA 11 9.972 -7.217 3.796 55 HB1 ALA 11 1HB ALA 11 11.463 -6.869 5.523 56 HB2 ALA 11 2HB ALA 11 11.394 -5.113 5.370 57 HB3 ALA 11 3HB ALA 11 10.042 -5.989 6.088 58 H THR 12 H THR 12 7.821 -7.075 4.139 59 HA THR 12 HA THR 12 6.316 -5.032 2.997 60 HB THR 12 HB THR 12 5.482 -7.028 5.110 61 HG1 THR 12 1HG THR 12 5.366 -7.022 2.265 62 HG21 THR 12 1HG2 THR 12 3.453 -5.983 3.271 63 HG22 THR 12 2HG2 THR 12 4.084 -4.787 4.403 64 HG23 THR 12 3HG2 THR 12 3.364 -6.279 5.007 65 HA PRO 13 HA PRO 13 6.526 -1.841 6.056 66 HB2 PRO 13 1HB PRO 13 4.535 -0.285 5.065 67 HB3 PRO 13 2HB PRO 13 6.137 -0.381 4.325 68 HG2 PRO 13 1HG PRO 13 3.605 -1.774 3.546 69 HG3 PRO 13 2HG PRO 13 4.816 -0.995 2.512 70 HD2 PRO 13 1HD PRO 13 4.715 -3.677 2.871 71 HD3 PRO 13 2HD PRO 13 6.239 -2.807 2.599 72 H ILE 14 H ILE 14 4.968 -0.641 7.507 73 HA ILE 14 HA ILE 14 2.943 -2.530 8.490 74 HB ILE 14 HB ILE 14 3.847 -0.186 10.102 75 HG12 ILE 14 1HG1 ILE 14 5.959 -1.069 9.380 76 HG13 ILE 14 2HG1 ILE 14 5.687 -1.630 11.025 77 HG21 ILE 14 1HG2 ILE 14 2.181 -2.386 10.508 78 HG22 ILE 14 2HG2 ILE 14 3.636 -2.727 11.442 79 HG23 ILE 14 3HG2 ILE 14 2.740 -1.234 11.720 80 HD11 ILE 14 1HD1 ILE 14 6.275 -3.153 8.736 81 HD12 ILE 14 2HD1 ILE 14 5.939 -3.723 10.371 82 HD13 ILE 14 3HD1 ILE 14 4.623 -3.547 9.210 83 H LEU 15 H LEU 15 1.128 -1.997 7.349 84 HA LEU 15 HA LEU 15 0.308 0.648 6.773 85 HB2 LEU 15 1HB LEU 15 -1.514 -0.286 5.766 86 HB3 LEU 15 2HB LEU 15 -0.409 -1.658 5.763 87 HG LEU 15 HG LEU 15 -2.559 -1.245 7.835 88 HD11 LEU 15 1HD1 LEU 15 -2.633 -2.500 5.141 89 HD12 LEU 15 2HD1 LEU 15 -3.881 -1.608 6.010 90 HD13 LEU 15 3HD1 LEU 15 -3.518 -3.275 6.456 91 HD21 LEU 15 1HD2 LEU 15 -0.398 -3.161 7.439 92 HD22 LEU 15 2HD2 LEU 15 -1.978 -3.922 7.634 93 HD23 LEU 15 3HD2 LEU 15 -1.368 -2.824 8.873 94 H GLN 16 H GLN 16 -0.692 2.115 7.988 95 HA GLN 16 HA GLN 16 -2.328 1.284 10.249 96 HB2 GLN 16 1HB GLN 16 0.016 3.171 10.544 97 HB3 GLN 16 2HB GLN 16 -1.186 2.845 11.787 98 HG2 GLN 16 1HG GLN 16 0.444 0.639 10.590 99 HG3 GLN 16 2HG GLN 16 1.066 1.631 11.907 100 HE21 GLN 16 1HE2 GLN 16 -0.039 1.601 13.918 101 HE22 GLN 16 2HE2 GLN 16 -1.013 0.247 14.369 102 H LEU 17 H LEU 17 -3.728 2.948 11.037 103 HA LEU 17 HA LEU 17 -4.137 5.110 9.079 104 HB2 LEU 17 1HB LEU 17 -5.881 3.203 9.514 105 HB3 LEU 17 2HB LEU 17 -6.286 4.177 10.926 106 HG LEU 17 HG LEU 17 -7.828 4.740 9.214 107 HD11 LEU 17 1HD1 LEU 17 -6.746 6.599 10.550 108 HD12 LEU 17 2HD1 LEU 17 -7.536 7.072 9.046 109 HD13 LEU 17 3HD1 LEU 17 -5.779 6.937 9.114 110 HD21 LEU 17 1HD2 LEU 17 -5.439 5.169 7.423 111 HD22 LEU 17 2HD2 LEU 17 -7.112 5.535 7.000 112 HD23 LEU 17 3HD2 LEU 17 -6.622 3.867 7.299 113 H GLU 18 H GLU 18 -3.872 7.126 9.763 114 HA GLU 18 HA GLU 18 -3.698 7.611 12.653 115 HB2 GLU 18 1HB GLU 18 -1.769 8.207 11.127 116 HB3 GLU 18 2HB GLU 18 -2.802 9.449 10.433 117 HG2 GLU 18 1HG GLU 18 -2.122 9.294 13.357 118 HG3 GLU 18 2HG GLU 18 -1.208 10.242 12.184 119 H GLU 19 H GLU 19 -4.701 9.532 9.817 120 HA GLU 19 HA GLU 19 -6.271 11.379 11.077 121 HB2 GLU 19 1HB GLU 19 -5.683 11.018 8.541 122 HB3 GLU 19 2HB GLU 19 -7.247 10.216 8.500 123 HG2 GLU 19 1HG GLU 19 -7.901 12.313 7.954 124 HG3 GLU 19 2HG GLU 19 -8.016 12.435 9.708 125 H CYS 20 H CYS 20 -7.725 10.960 12.615 126 HA CYS 20 HA CYS 20 -9.316 8.598 12.678 127 HB2 CYS 20 1HB CYS 20 -10.419 9.659 14.615 128 HB3 CYS 20 2HB CYS 20 -8.665 9.718 14.741 129 HG CYS 20 HG CYS 20 -8.363 12.328 14.588 130 H CYS 21 H CYS 21 -11.761 8.785 12.966 131 HA CYS 21 HA CYS 21 -12.862 9.777 10.546 132 HB2 CYS 21 1HB CYS 21 -14.221 8.731 13.038 133 HB3 CYS 21 2HB CYS 21 -15.035 9.043 11.509 134 HG CYS 21 HG CYS 21 -13.588 7.101 10.096 135 H THR 22 H THR 22 -12.937 11.921 10.235 136 HA THR 22 HA THR 22 -14.327 13.536 12.268 137 HB THR 22 HB THR 22 -12.249 14.794 10.521 138 HG1 THR 22 1HG THR 22 -10.634 14.144 11.836 139 HG21 THR 22 1HG2 THR 22 -12.958 15.384 13.386 140 HG22 THR 22 2HG2 THR 22 -13.868 16.056 12.033 141 HG23 THR 22 3HG2 THR 22 -12.155 16.431 12.217 142 H HIS 23 H HIS 23 -16.121 12.797 10.758 143 HA HIS 23 HA HIS 23 -17.555 13.135 9.000 144 HB2 HIS 23 1HB HIS 23 -18.178 15.501 8.704 145 HB3 HIS 23 2HB HIS 23 -18.016 15.078 10.406 146 HD1 HIS 23 1HD HIS 23 -16.591 16.591 11.759 147 HD2 HIS 23 2HD HIS 23 -15.777 16.907 7.697 148 HE1 HIS 23 1HE HIS 23 -14.932 18.470 11.549 149 HE2 HIS 23 2HE HIS 23 -14.520 18.698 9.075 150 H ASN 24 H ASN 24 -14.836 12.581 8.195 151 HA ASN 24 HA ASN 24 -14.797 14.016 5.622 152 HB2 ASN 24 1HB ASN 24 -12.552 13.257 7.458 153 HB3 ASN 24 2HB ASN 24 -12.258 13.361 5.724 154 HD21 ASN 24 1HD2 ASN 24 -13.548 15.456 4.852 155 HD22 ASN 24 2HD2 ASN 24 -13.078 16.904 5.669 156 H ASN 25 H ASN 25 -14.219 12.818 3.776 157 HA ASN 25 HA ASN 25 -14.558 9.914 4.102 158 HB2 ASN 25 1HB ASN 25 -15.463 9.855 1.875 159 HB3 ASN 25 2HB ASN 25 -16.282 11.142 2.755 160 HD21 ASN 25 1HD2 ASN 25 -15.816 10.687 -0.135 161 HD22 ASN 25 2HD2 ASN 25 -15.072 12.138 -0.706 162 H SER 26 H SER 26 -12.033 11.001 4.550 163 HA SER 26 HA SER 26 -10.553 9.900 2.260 164 HB2 SER 26 1HB SER 26 -8.827 11.615 2.530 165 HB3 SER 26 2HB SER 26 -10.390 12.366 2.211 166 HG SER 26 HG SER 26 -10.530 12.527 4.596 167 H ALA 27 H ALA 27 -9.280 8.274 2.829 168 HA ALA 27 HA ALA 27 -8.656 7.892 5.667 169 HB1 ALA 27 1HB ALA 27 -7.998 5.800 3.675 170 HB2 ALA 27 2HB ALA 27 -8.655 5.650 5.305 171 HB3 ALA 27 3HB ALA 27 -9.705 6.128 3.971 172 H THR 28 H THR 28 -6.823 8.928 6.194 173 HA THR 28 HA THR 28 -4.630 9.242 4.381 174 HB THR 28 HB THR 28 -4.682 9.723 7.366 175 HG1 THR 28 1HG THR 28 -4.883 11.997 6.407 176 HG21 THR 28 1HG2 THR 28 -2.667 10.107 5.263 177 HG22 THR 28 2HG2 THR 28 -2.472 9.979 7.011 178 HG23 THR 28 3HG2 THR 28 -2.940 11.516 6.285 179 H LEU 29 H LEU 29 -2.994 7.894 4.025 180 HA LEU 29 HA LEU 29 -2.555 5.698 5.939 181 HB2 LEU 29 1HB LEU 29 -2.529 5.828 2.974 182 HB3 LEU 29 2HB LEU 29 -1.380 4.743 3.754 183 HG LEU 29 HG LEU 29 -3.606 3.763 2.977 184 HD11 LEU 29 1HD1 LEU 29 -3.630 2.193 4.748 185 HD12 LEU 29 2HD1 LEU 29 -2.958 3.359 5.887 186 HD13 LEU 29 3HD1 LEU 29 -1.959 2.730 4.577 187 HD21 LEU 29 1HD2 LEU 29 -5.191 5.334 3.692 188 HD22 LEU 29 2HD2 LEU 29 -4.500 5.426 5.312 189 HD23 LEU 29 3HD2 LEU 29 -5.373 3.979 4.806 190 H SER 30 H SER 30 -0.665 5.642 6.956 191 HA SER 30 HA SER 30 1.630 7.038 5.751 192 HB2 SER 30 1HB SER 30 2.240 8.019 7.815 193 HB3 SER 30 2HB SER 30 0.499 8.275 7.694 194 HG SER 30 HG SER 30 0.262 7.132 9.431 195 H TRP 31 H TRP 31 1.603 4.543 5.143 196 HA TRP 31 HA TRP 31 2.305 2.542 6.879 197 HB2 TRP 31 1HB TRP 31 3.524 1.508 4.967 198 HB3 TRP 31 2HB TRP 31 1.917 2.088 4.538 199 HD1 TRP 31 HD TRP 31 5.587 2.611 3.763 200 HE1 TRP 31 1HE TRP 31 5.809 4.254 1.795 201 HE3 TRP 31 3HE TRP 31 0.725 4.162 3.446 202 HZ2 TRP 31 2HZ TRP 31 4.145 5.981 0.306 203 HZ3 TRP 31 3HZ TRP 31 0.124 5.812 1.723 204 HH2 TRP 31 HH TRP 31 1.800 6.702 0.186 205 H LYS 32 H LYS 32 4.606 1.471 6.829 206 HA LYS 32 HA LYS 32 6.849 3.239 6.873 207 HB2 LYS 32 1HB LYS 32 7.338 3.124 9.259 208 HB3 LYS 32 2HB LYS 32 5.784 3.902 8.988 209 HG2 LYS 32 1HG LYS 32 4.591 2.126 9.847 210 HG3 LYS 32 2HG LYS 32 5.897 0.974 9.556 211 HD2 LYS 32 1HD LYS 32 6.373 3.211 11.464 212 HD3 LYS 32 2HD LYS 32 5.361 1.861 11.984 213 HE2 LYS 32 1HE LYS 32 7.260 0.360 11.159 214 HE3 LYS 32 2HE LYS 32 8.238 1.827 11.119 215 HZ1 LYS 32 1HZ LYS 32 8.560 0.727 13.202 216 HZ2 LYS 32 2HZ LYS 32 6.895 0.654 13.493 217 HZ3 LYS 32 3HZ LYS 32 7.688 2.148 13.489 218 H GLN 33 H GLN 33 8.790 2.056 7.951 219 HA GLN 33 HA GLN 33 8.739 -0.687 6.939 220 HB2 GLN 33 1HB GLN 33 10.887 1.332 7.426 221 HB3 GLN 33 2HB GLN 33 11.311 -0.375 7.426 222 HG2 GLN 33 1HG GLN 33 9.978 -0.358 5.157 223 HG3 GLN 33 2HG GLN 33 10.392 1.355 5.195 224 HE21 GLN 33 1HE2 GLN 33 11.311 -1.393 3.871 225 HE22 GLN 33 2HE2 GLN 33 13.022 -1.168 3.778 226 HA PRO 34 HA PRO 34 8.738 -2.464 10.964 227 HB2 PRO 34 1HB PRO 34 9.880 -4.857 10.381 228 HB3 PRO 34 2HB PRO 34 8.222 -4.447 9.925 229 HG2 PRO 34 1HG PRO 34 10.715 -4.379 8.268 230 HG3 PRO 34 2HG PRO 34 9.100 -4.970 7.836 231 HD2 PRO 34 1HD PRO 34 10.014 -2.540 7.070 232 HD3 PRO 34 2HD PRO 34 8.300 -2.851 7.410 233 HA PRO 35 HA PRO 35 12.740 -1.539 12.622 234 HB2 PRO 35 1HB PRO 35 12.333 -2.523 15.120 235 HB3 PRO 35 2HB PRO 35 11.633 -0.999 14.562 236 HG2 PRO 35 1HG PRO 35 10.369 -3.706 14.751 237 HG3 PRO 35 2HG PRO 35 9.699 -2.125 15.194 238 HD2 PRO 35 1HD PRO 35 9.081 -3.370 12.870 239 HD3 PRO 35 2HD PRO 35 9.160 -1.602 13.015 240 H LEU 36 H LEU 36 11.626 -4.552 11.814 241 HA LEU 36 HA LEU 36 14.107 -5.848 12.735 242 HB2 LEU 36 1HB LEU 36 11.369 -7.019 12.293 243 HB3 LEU 36 2HB LEU 36 12.819 -7.994 12.527 244 HG LEU 36 HG LEU 36 12.994 -6.561 14.744 245 HD11 LEU 36 1HD1 LEU 36 10.742 -5.441 13.823 246 HD12 LEU 36 2HD1 LEU 36 11.106 -5.613 15.540 247 HD13 LEU 36 3HD1 LEU 36 10.050 -6.778 14.741 248 HD21 LEU 36 1HD2 LEU 36 11.198 -8.404 15.606 249 HD22 LEU 36 2HD2 LEU 36 12.894 -8.744 15.262 250 HD23 LEU 36 3HD2 LEU 36 11.662 -9.082 14.046 251 H SER 37 H SER 37 13.825 -4.313 10.329 252 HA SER 37 HA SER 37 14.222 -6.445 8.334 253 HB2 SER 37 1HB SER 37 12.280 -5.422 7.549 254 HB3 SER 37 2HB SER 37 12.779 -3.823 8.101 255 HG SER 37 HG SER 37 13.604 -5.256 5.822 256 H THR 38 H THR 38 15.894 -6.168 6.847 257 HA THR 38 HA THR 38 17.826 -4.051 7.539 258 HB THR 38 HB THR 38 19.606 -5.598 6.760 259 HG1 THR 38 1HG THR 38 19.113 -7.528 5.987 260 HG21 THR 38 1HG2 THR 38 19.024 -5.423 9.154 261 HG22 THR 38 2HG2 THR 38 19.607 -7.030 8.723 262 HG23 THR 38 3HG2 THR 38 17.882 -6.751 8.955 263 H VAL 39 H VAL 39 16.010 -5.586 5.050 264 HA VAL 39 HA VAL 39 17.572 -4.445 2.888 265 HB VAL 39 HB VAL 39 14.908 -5.862 2.741 266 HG11 VAL 39 1HG1 VAL 39 15.152 -4.752 0.720 267 HG12 VAL 39 2HG1 VAL 39 16.905 -4.953 0.704 268 HG13 VAL 39 3HG1 VAL 39 15.854 -6.333 0.379 269 HG21 VAL 39 1HG2 VAL 39 15.947 -7.797 3.068 270 HG22 VAL 39 2HG2 VAL 39 17.115 -7.425 1.800 271 HG23 VAL 39 3HG2 VAL 39 17.420 -6.911 3.459 272 HA PRO 40 HA PRO 40 15.242 -0.633 3.199 273 HB2 PRO 40 1HB PRO 40 16.637 0.664 1.263 274 HB3 PRO 40 2HB PRO 40 17.247 0.451 2.908 275 HG2 PRO 40 1HG PRO 40 17.883 -1.111 0.435 276 HG3 PRO 40 2HG PRO 40 18.978 -0.530 1.704 277 HD2 PRO 40 1HD PRO 40 18.103 -3.090 1.594 278 HD3 PRO 40 2HD PRO 40 18.452 -2.265 3.127 279 H ALA 41 H ALA 41 13.775 0.512 1.871 280 HA ALA 41 HA ALA 41 12.945 -0.975 -0.530 281 HB1 ALA 41 1HB ALA 41 10.768 0.437 -0.043 282 HB2 ALA 41 2HB ALA 41 11.096 -1.075 0.804 283 HB3 ALA 41 3HB ALA 41 11.439 0.467 1.588 284 H ASP 42 H ASP 42 12.065 0.266 -2.318 285 HA ASP 42 HA ASP 42 13.448 2.843 -2.612 286 HB2 ASP 42 1HB ASP 42 12.696 0.676 -4.531 287 HB3 ASP 42 2HB ASP 42 12.837 2.328 -5.127 288 H GLY 43 H GLY 43 10.352 1.219 -3.180 289 HA2 GLY 43 1HA GLY 43 9.043 3.843 -3.029 290 HA3 GLY 43 2HA GLY 43 8.706 2.815 -4.414 291 H TYR 44 H TYR 44 6.472 3.108 -3.552 292 HA TYR 44 HA TYR 44 5.778 0.795 -1.958 293 HB2 TYR 44 1HB TYR 44 4.956 3.560 -1.048 294 HB3 TYR 44 2HB TYR 44 4.462 2.037 -0.316 295 HD1 TYR 44 1HD TYR 44 6.154 0.636 0.868 296 HD2 TYR 44 2HD TYR 44 7.044 4.561 -0.515 297 HE1 TYR 44 1HE TYR 44 8.111 0.710 2.355 298 HE2 TYR 44 2HE TYR 44 9.004 4.645 0.969 299 HH TYR 44 HH TYR 44 9.678 3.461 3.195 300 H ILE 45 H ILE 45 3.721 0.053 -2.350 301 HA ILE 45 HA ILE 45 2.080 1.640 -4.212 302 HB ILE 45 HB ILE 45 2.638 -1.323 -4.324 303 HG12 ILE 45 1HG1 ILE 45 2.947 0.662 -6.558 304 HG13 ILE 45 2HG1 ILE 45 4.218 0.463 -5.357 305 HG21 ILE 45 1HG2 ILE 45 0.280 0.102 -5.080 306 HG22 ILE 45 2HG2 ILE 45 1.080 -0.513 -6.526 307 HG23 ILE 45 3HG2 ILE 45 0.633 -1.619 -5.227 308 HD11 ILE 45 1HD1 ILE 45 4.738 -0.879 -7.259 309 HD12 ILE 45 2HD1 ILE 45 4.293 -1.950 -5.929 310 HD13 ILE 45 3HD1 ILE 45 3.142 -1.630 -7.227 311 H LEU 46 H LEU 46 0.042 1.940 -3.590 312 HA LEU 46 HA LEU 46 -0.942 0.435 -1.278 313 HB2 LEU 46 1HB LEU 46 -1.562 3.096 -2.469 314 HB3 LEU 46 2HB LEU 46 -2.796 2.283 -1.508 315 HG LEU 46 HG LEU 46 -0.034 2.815 -0.445 316 HD11 LEU 46 1HD1 LEU 46 -2.288 4.677 -0.826 317 HD12 LEU 46 2HD1 LEU 46 -0.560 4.995 -0.681 318 HD13 LEU 46 3HD1 LEU 46 -1.524 4.691 0.764 319 HD21 LEU 46 1HD2 LEU 46 -2.610 2.561 1.072 320 HD22 LEU 46 2HD2 LEU 46 -0.956 2.368 1.655 321 HD23 LEU 46 3HD2 LEU 46 -1.670 1.144 0.604 322 H GLU 47 H GLU 47 -3.178 -0.278 -1.241 323 HA GLU 47 HA GLU 47 -4.469 -0.625 -3.832 324 HB2 GLU 47 1HB GLU 47 -3.262 -2.811 -2.215 325 HB3 GLU 47 2HB GLU 47 -4.821 -3.128 -2.965 326 HG2 GLU 47 1HG GLU 47 -3.587 -2.144 -5.087 327 HG3 GLU 47 2HG GLU 47 -2.165 -2.704 -4.208 328 H LEU 48 H LEU 48 -6.684 -0.962 -3.716 329 HA LEU 48 HA LEU 48 -7.993 -1.408 -1.191 330 HB2 LEU 48 1HB LEU 48 -7.470 0.988 -1.074 331 HB3 LEU 48 2HB LEU 48 -8.327 1.240 -2.594 332 HG LEU 48 HG LEU 48 -10.319 0.162 -1.195 333 HD11 LEU 48 1HD1 LEU 48 -8.652 1.547 0.900 334 HD12 LEU 48 2HD1 LEU 48 -8.937 -0.190 0.804 335 HD13 LEU 48 3HD1 LEU 48 -10.282 0.908 1.109 336 HD21 LEU 48 1HD2 LEU 48 -11.086 2.422 -0.730 337 HD22 LEU 48 2HD2 LEU 48 -10.325 2.340 -2.320 338 HD23 LEU 48 3HD2 LEU 48 -9.450 3.041 -0.957 339 H ASP 49 H ASP 49 -10.155 -1.984 -1.411 340 HA ASP 49 HA ASP 49 -10.949 -2.645 -4.143 341 HB2 ASP 49 1HB ASP 49 -11.033 -4.475 -2.566 342 HB3 ASP 49 2HB ASP 49 -12.028 -3.531 -1.461 343 H ASP 50 H ASP 50 -13.374 -2.514 -4.579 344 HA ASP 50 HA ASP 50 -14.204 0.221 -4.036 345 HB2 ASP 50 1HB ASP 50 -14.249 -0.817 -6.349 346 HB3 ASP 50 2HB ASP 50 -15.597 -1.804 -5.790 347 H GLY 51 H GLY 51 -14.309 -1.480 -1.799 348 HA2 GLY 51 1HA GLY 51 -15.721 -2.209 -0.136 349 HA3 GLY 51 2HA GLY 51 -16.761 -0.908 -0.694 350 H ASN 52 H ASN 52 -15.929 -3.581 -2.769 351 HA ASN 52 HA ASN 52 -18.735 -4.448 -2.668 352 HB2 ASN 52 1HB ASN 52 -16.678 -4.352 -4.820 353 HB3 ASN 52 2HB ASN 52 -17.857 -5.659 -4.880 354 HD21 ASN 52 1HD2 ASN 52 -19.958 -5.220 -5.381 355 HD22 ASN 52 2HD2 ASN 52 -20.504 -3.668 -5.910 356 H GLY 53 H GLY 53 -15.427 -5.525 -2.331 357 HA2 GLY 53 1HA GLY 53 -14.891 -7.359 -0.887 358 HA3 GLY 53 2HA GLY 53 -16.442 -8.081 -1.288 359 H GLY 54 H GLY 54 -14.125 -6.738 -3.586 360 HA2 GLY 54 1HA GLY 54 -13.742 -9.475 -4.635 361 HA3 GLY 54 2HA GLY 54 -13.901 -8.063 -5.670 362 H GLN 55 H GLN 55 -12.032 -7.537 -6.565 363 HA GLN 55 HA GLN 55 -9.534 -8.245 -5.268 364 HB2 GLN 55 1HB GLN 55 -10.058 -6.942 -7.945 365 HB3 GLN 55 2HB GLN 55 -8.490 -7.494 -7.370 366 HG2 GLN 55 1HG GLN 55 -10.891 -9.159 -8.065 367 HG3 GLN 55 2HG GLN 55 -9.314 -9.140 -8.853 368 HE21 GLN 55 1HE2 GLN 55 -11.056 -10.068 -5.962 369 HE22 GLN 55 2HE2 GLN 55 -9.920 -11.254 -5.426 370 H PHE 56 H PHE 56 -7.740 -6.428 -5.803 371 HA PHE 56 HA PHE 56 -8.764 -3.914 -4.656 372 HB2 PHE 56 1HB PHE 56 -6.051 -5.150 -4.145 373 HB3 PHE 56 2HB PHE 56 -6.690 -3.682 -3.412 374 HD1 PHE 56 1HD PHE 56 -7.595 -7.280 -3.802 375 HD2 PHE 56 2HD PHE 56 -7.569 -3.837 -1.300 376 HE1 PHE 56 1HE PHE 56 -8.533 -8.615 -1.960 377 HE2 PHE 56 2HE PHE 56 -8.506 -5.166 0.546 378 HZ PHE 56 HZ PHE 56 -8.988 -7.559 0.217 379 H ARG 57 H ARG 57 -8.250 -2.075 -5.681 380 HA ARG 57 HA ARG 57 -6.480 -2.282 -8.017 381 HB2 ARG 57 1HB ARG 57 -7.637 -0.349 -8.905 382 HB3 ARG 57 2HB ARG 57 -8.813 -1.568 -8.431 383 HG2 ARG 57 1HG ARG 57 -8.807 -0.181 -6.181 384 HG3 ARG 57 2HG ARG 57 -8.270 1.103 -7.266 385 HD2 ARG 57 1HD ARG 57 -10.222 0.876 -8.618 386 HD3 ARG 57 2HD ARG 57 -10.705 -0.593 -7.773 387 HE ARG 57 HE ARG 57 -10.511 1.609 -5.988 388 HH11 ARG 57 2HH1 ARG 57 -12.539 0.190 -8.437 389 HH12 ARG 57 1HH1 ARG 57 -14.001 0.874 -7.807 390 HH21 ARG 57 2HH2 ARG 57 -12.430 2.514 -5.149 391 HH22 ARG 57 1HH2 ARG 57 -13.938 2.196 -5.937 392 H GLU 58 H GLU 58 -4.838 -0.797 -8.373 393 HA GLU 58 HA GLU 58 -3.568 0.239 -6.059 394 HB2 GLU 58 1HB GLU 58 -3.026 0.535 -9.007 395 HB3 GLU 58 2HB GLU 58 -2.036 1.331 -7.792 396 HG2 GLU 58 1HG GLU 58 -1.123 -0.630 -7.045 397 HG3 GLU 58 2HG GLU 58 -2.502 -1.597 -7.566 398 H VAL 59 H VAL 59 -3.889 2.100 -5.048 399 HA VAL 59 HA VAL 59 -5.379 4.219 -6.442 400 HB VAL 59 HB VAL 59 -5.711 5.114 -4.070 401 HG11 VAL 59 1HG1 VAL 59 -7.746 4.201 -4.176 402 HG12 VAL 59 2HG1 VAL 59 -7.165 3.356 -5.612 403 HG13 VAL 59 3HG1 VAL 59 -7.109 2.563 -4.037 404 HG21 VAL 59 1HG2 VAL 59 -3.944 3.764 -3.021 405 HG22 VAL 59 2HG2 VAL 59 -5.512 3.511 -2.256 406 HG23 VAL 59 3HG2 VAL 59 -4.868 2.303 -3.368 407 H TYR 60 H TYR 60 -2.349 3.427 -5.041 408 HA TYR 60 HA TYR 60 -1.323 6.056 -5.743 409 HB2 TYR 60 1HB TYR 60 -1.570 6.687 -3.561 410 HB3 TYR 60 2HB TYR 60 -1.531 5.032 -2.964 411 HD1 TYR 60 1HD TYR 60 0.581 3.946 -2.443 412 HD2 TYR 60 2HD TYR 60 0.480 7.949 -3.880 413 HE1 TYR 60 1HE TYR 60 2.918 4.251 -1.738 414 HE2 TYR 60 2HE TYR 60 2.817 8.266 -3.181 415 HH TYR 60 HH TYR 60 4.644 5.638 -1.634 416 H VAL 61 H VAL 61 0.821 6.049 -6.324 417 HA VAL 61 HA VAL 61 2.468 3.715 -5.829 418 HB VAL 61 HB VAL 61 1.851 4.526 -8.672 419 HG11 VAL 61 1HG1 VAL 61 3.027 2.093 -8.803 420 HG12 VAL 61 2HG1 VAL 61 3.893 3.623 -8.963 421 HG13 VAL 61 3HG1 VAL 61 3.859 2.786 -7.411 422 HG21 VAL 61 1HG2 VAL 61 0.866 2.229 -7.001 423 HG22 VAL 61 2HG2 VAL 61 -0.081 3.416 -7.897 424 HG23 VAL 61 3HG2 VAL 61 0.849 2.194 -8.764 425 H GLY 62 H GLY 62 4.437 4.430 -5.360 426 HA2 GLY 62 1HA GLY 62 6.087 5.997 -6.873 427 HA3 GLY 62 2HA GLY 62 5.191 7.149 -5.894 428 H LYS 63 H LYS 63 7.155 7.780 -4.889 429 HA LYS 63 HA LYS 63 8.132 5.828 -2.908 430 HB2 LYS 63 1HB LYS 63 10.302 7.067 -2.986 431 HB3 LYS 63 2HB LYS 63 9.898 6.234 -4.481 432 HG2 LYS 63 1HG LYS 63 9.138 9.097 -4.177 433 HG3 LYS 63 2HG LYS 63 10.822 8.681 -4.509 434 HD2 LYS 63 1HD LYS 63 10.338 7.822 -6.591 435 HD3 LYS 63 2HD LYS 63 8.666 7.448 -6.165 436 HE2 LYS 63 1HE LYS 63 8.035 9.737 -6.314 437 HE3 LYS 63 2HE LYS 63 9.715 10.258 -6.431 438 HZ1 LYS 63 1HZ LYS 63 9.866 9.129 -8.571 439 HZ2 LYS 63 2HZ LYS 63 8.650 10.305 -8.586 440 HZ3 LYS 63 3HZ LYS 63 8.242 8.668 -8.462 441 H GLU 64 H GLU 64 5.923 7.457 -2.409 442 HA GLU 64 HA GLU 64 6.843 9.743 -0.875 443 HB2 GLU 64 1HB GLU 64 4.207 8.681 -1.752 444 HB3 GLU 64 2HB GLU 64 4.237 9.655 -0.289 445 HG2 GLU 64 1HG GLU 64 5.627 11.294 -1.796 446 HG3 GLU 64 2HG GLU 64 4.809 10.433 -3.099 447 H THR 65 H THR 65 5.715 9.989 1.359 448 HA THR 65 HA THR 65 6.190 7.497 2.858 449 HB THR 65 HB THR 65 6.783 8.878 4.786 450 HG1 THR 65 1HG THR 65 6.894 11.134 4.563 451 HG21 THR 65 1HG2 THR 65 8.912 9.643 4.032 452 HG22 THR 65 2HG2 THR 65 8.322 9.852 2.383 453 HG23 THR 65 3HG2 THR 65 8.498 8.233 3.058 454 H MET 66 H MET 66 3.865 9.812 1.996 455 HA MET 66 HA MET 66 1.874 8.510 3.625 456 HB2 MET 66 1HB MET 66 2.921 10.344 5.062 457 HB3 MET 66 2HB MET 66 2.181 11.490 3.953 458 HG2 MET 66 1HG MET 66 0.037 10.962 4.624 459 HG3 MET 66 2HG MET 66 0.514 9.387 5.255 460 HE1 MET 66 1HE MET 66 0.457 13.034 5.471 461 HE2 MET 66 2HE MET 66 -0.672 12.876 6.817 462 HE3 MET 66 3HE MET 66 0.956 13.495 7.099 463 H CYS 67 H CYS 67 0.000 8.417 2.551 464 HA CYS 67 HA CYS 67 -0.712 10.500 0.648 465 HB2 CYS 67 1HB CYS 67 0.621 8.835 -0.638 466 HB3 CYS 67 2HB CYS 67 -0.548 7.598 -0.190 467 HG CYS 67 HG CYS 67 -2.673 9.181 -1.445 468 H THR 68 H THR 68 -2.850 10.865 0.599 469 HA THR 68 HA THR 68 -4.586 8.927 1.984 470 HB THR 68 HB THR 68 -4.274 11.223 3.044 471 HG1 THR 68 1HG THR 68 -6.921 10.453 2.306 472 HG21 THR 68 1HG2 THR 68 -6.272 12.215 1.058 473 HG22 THR 68 2HG2 THR 68 -4.555 12.291 0.662 474 HG23 THR 68 3HG2 THR 68 -5.168 13.122 2.092 475 H VAL 69 H VAL 69 -6.711 8.606 1.184 476 HA VAL 69 HA VAL 69 -6.930 9.090 -1.703 477 HB VAL 69 HB VAL 69 -7.057 6.733 -0.836 478 HG11 VAL 69 1HG1 VAL 69 -8.504 7.558 1.165 479 HG12 VAL 69 2HG1 VAL 69 -9.849 7.333 0.045 480 HG13 VAL 69 3HG1 VAL 69 -8.808 5.971 0.461 481 HG21 VAL 69 1HG2 VAL 69 -9.169 8.022 -2.499 482 HG22 VAL 69 2HG2 VAL 69 -7.890 6.903 -2.971 483 HG23 VAL 69 3HG2 VAL 69 -9.310 6.307 -2.112 484 H ASP 70 H ASP 70 -8.831 9.895 -2.623 485 HA ASP 70 HA ASP 70 -10.649 11.240 -0.732 486 HB2 ASP 70 1HB ASP 70 -9.561 13.029 -1.731 487 HB3 ASP 70 2HB ASP 70 -9.387 12.196 -3.273 488 H GLY 71 H GLY 71 -12.844 11.240 -1.182 489 HA2 GLY 71 1HA GLY 71 -14.803 10.696 -2.318 490 HA3 GLY 71 2HA GLY 71 -13.832 10.022 -3.619 491 H LEU 72 H LEU 72 -14.572 9.371 -0.192 492 HA LEU 72 HA LEU 72 -14.568 6.500 -0.837 493 HB2 LEU 72 1HB LEU 72 -14.088 7.977 1.737 494 HB3 LEU 72 2HB LEU 72 -14.375 6.239 1.676 495 HG LEU 72 HG LEU 72 -12.101 7.614 0.252 496 HD11 LEU 72 1HD1 LEU 72 -12.109 7.778 2.804 497 HD12 LEU 72 2HD1 LEU 72 -10.679 7.096 2.031 498 HD13 LEU 72 3HD1 LEU 72 -11.862 6.032 2.789 499 HD21 LEU 72 1HD2 LEU 72 -13.187 5.117 -0.124 500 HD22 LEU 72 2HD2 LEU 72 -11.857 4.807 0.992 501 HD23 LEU 72 3HD2 LEU 72 -11.547 5.605 -0.551 502 H HIS 73 H HIS 73 -16.220 5.162 0.012 503 HA HIS 73 HA HIS 73 -18.770 6.551 0.293 504 HB2 HIS 73 1HB HIS 73 -17.975 3.730 -0.351 505 HB3 HIS 73 2HB HIS 73 -19.613 4.085 0.188 506 HD1 HIS 73 1HD HIS 73 -21.215 4.799 -1.574 507 HD2 HIS 73 2HD HIS 73 -17.264 5.221 -2.787 508 HE1 HIS 73 1HE HIS 73 -21.323 5.471 -3.994 509 HE2 HIS 73 2HE HIS 73 -18.920 5.637 -4.730 510 H PHE 74 H PHE 74 -20.237 6.118 1.985 511 HA PHE 74 HA PHE 74 -18.912 5.414 4.494 512 HB2 PHE 74 1HB PHE 74 -21.423 6.923 3.816 513 HB3 PHE 74 2HB PHE 74 -21.143 6.323 5.448 514 HD1 PHE 74 1HD PHE 74 -19.381 7.251 6.831 515 HD2 PHE 74 2HD PHE 74 -20.120 8.733 2.910 516 HE1 PHE 74 1HE PHE 74 -18.029 9.245 7.333 517 HE2 PHE 74 2HE PHE 74 -18.769 10.729 3.406 518 HZ PHE 74 HZ PHE 74 -17.721 10.986 5.619 519 H ASN 75 H ASN 75 -20.471 4.343 6.144 520 HA ASN 75 HA ASN 75 -21.230 2.249 6.728 521 HB2 ASN 75 1HB ASN 75 -23.242 3.779 6.089 522 HB3 ASN 75 2HB ASN 75 -23.387 2.718 4.692 523 HD21 ASN 75 1HD2 ASN 75 -24.485 3.243 7.713 524 HD22 ASN 75 2HD2 ASN 75 -24.993 1.645 8.131 525 H SER 76 H SER 76 -19.218 1.915 4.897 526 HA SER 76 HA SER 76 -20.056 -0.550 3.601 527 HB2 SER 76 1HB SER 76 -18.755 1.721 2.079 528 HB3 SER 76 2HB SER 76 -18.958 0.084 1.457 529 HG SER 76 HG SER 76 -20.729 1.072 0.731 530 H THR 77 H THR 77 -18.613 -2.074 4.029 531 HA THR 77 HA THR 77 -16.213 -1.563 5.413 532 HB THR 77 HB THR 77 -16.981 -4.079 3.920 533 HG1 THR 77 1HG THR 77 -17.913 -4.710 5.860 534 HG21 THR 77 1HG2 THR 77 -15.110 -5.012 4.702 535 HG22 THR 77 2HG2 THR 77 -15.429 -4.420 6.332 536 HG23 THR 77 3HG2 THR 77 -14.580 -3.398 5.174 537 H TYR 78 H TYR 78 -14.210 -1.130 4.737 538 HA TYR 78 HA TYR 78 -13.595 -1.497 1.878 539 HB2 TYR 78 1HB TYR 78 -13.223 0.862 3.651 540 HB3 TYR 78 2HB TYR 78 -11.956 0.530 2.475 541 HD1 TYR 78 2HD TYR 78 -12.551 0.446 0.035 542 HD2 TYR 78 1HD TYR 78 -15.280 1.828 2.993 543 HE1 TYR 78 2HE TYR 78 -13.881 1.548 -1.715 544 HE2 TYR 78 1HE TYR 78 -16.618 2.933 1.250 545 HH TYR 78 HH TYR 78 -15.712 3.793 -1.496 546 H ASN 79 H ASN 79 -11.714 -2.479 1.382 547 HA ASN 79 HA ASN 79 -9.945 -3.200 3.625 548 HB2 ASN 79 1HB ASN 79 -10.393 -4.731 1.053 549 HB3 ASN 79 2HB ASN 79 -9.390 -5.239 2.409 550 HD21 ASN 79 1HD2 ASN 79 -10.357 -5.987 4.282 551 HD22 ASN 79 2HD2 ASN 79 -12.024 -6.435 4.346 552 H ALA 80 H ALA 80 -7.919 -2.488 3.554 553 HA ALA 80 HA ALA 80 -6.790 -1.698 0.951 554 HB1 ALA 80 1HB ALA 80 -7.570 0.186 2.585 555 HB2 ALA 80 2HB ALA 80 -6.058 -0.185 3.415 556 HB3 ALA 80 3HB ALA 80 -6.035 0.330 1.728 557 H ARG 81 H ARG 81 -4.403 -1.593 0.949 558 HA ARG 81 HA ARG 81 -2.893 -2.823 3.022 559 HB2 ARG 81 1HB ARG 81 -2.323 -4.905 1.967 560 HB3 ARG 81 2HB ARG 81 -4.075 -4.808 2.079 561 HG2 ARG 81 1HG ARG 81 -3.916 -3.872 -0.338 562 HG3 ARG 81 2HG ARG 81 -2.320 -4.624 -0.326 563 HD2 ARG 81 1HD ARG 81 -3.359 -6.767 0.292 564 HD3 ARG 81 2HD ARG 81 -4.946 -6.002 0.221 565 HE ARG 81 HE ARG 81 -3.771 -5.548 -2.231 566 HH11 ARG 81 2HH1 ARG 81 -4.695 -8.313 -0.327 567 HH12 ARG 81 1HH1 ARG 81 -5.002 -9.321 -1.702 568 HH21 ARG 81 2HH2 ARG 81 -4.171 -6.866 -4.050 569 HH22 ARG 81 1HH2 ARG 81 -4.702 -8.497 -3.819 570 H VAL 82 H VAL 82 -0.875 -2.087 2.866 571 HA VAL 82 HA VAL 82 0.006 -1.005 0.275 572 HB VAL 82 HB VAL 82 -0.152 0.606 2.169 573 HG11 VAL 82 1HG1 VAL 82 0.453 -0.256 4.156 574 HG12 VAL 82 2HG1 VAL 82 1.555 -1.426 3.429 575 HG13 VAL 82 3HG1 VAL 82 2.074 0.242 3.673 576 HG21 VAL 82 1HG2 VAL 82 2.595 0.089 1.038 577 HG22 VAL 82 2HG2 VAL 82 1.328 1.090 0.329 578 HG23 VAL 82 3HG2 VAL 82 2.103 1.583 1.834 579 H LYS 83 H LYS 83 2.143 -1.360 -0.432 580 HA LYS 83 HA LYS 83 3.725 -3.360 0.993 581 HB2 LYS 83 1HB LYS 83 4.065 -4.601 -1.182 582 HB3 LYS 83 2HB LYS 83 2.474 -4.772 -0.453 583 HG2 LYS 83 1HG LYS 83 1.433 -3.613 -2.111 584 HG3 LYS 83 2HG LYS 83 2.848 -2.616 -2.455 585 HD2 LYS 83 1HD LYS 83 2.991 -5.537 -3.023 586 HD3 LYS 83 2HD LYS 83 2.062 -4.510 -4.118 587 HE2 LYS 83 1HE LYS 83 4.224 -4.577 -5.032 588 HE3 LYS 83 2HE LYS 83 4.124 -3.020 -4.211 589 HZ1 LYS 83 1HZ LYS 83 5.283 -5.424 -2.928 590 HZ2 LYS 83 2HZ LYS 83 5.424 -3.812 -2.437 591 HZ3 LYS 83 3HZ LYS 83 6.214 -4.342 -3.836 592 H ALA 84 H ALA 84 5.910 -3.626 -0.008 593 HA ALA 84 HA ALA 84 6.810 -1.059 -1.141 594 HB1 ALA 84 1HB ALA 84 7.883 -2.780 0.987 595 HB2 ALA 84 2HB ALA 84 9.079 -2.139 -0.141 596 HB3 ALA 84 3HB ALA 84 8.027 -1.038 0.750 597 H PHE 85 H PHE 85 8.210 -1.045 -2.871 598 HA PHE 85 HA PHE 85 9.019 -3.619 -4.010 599 HB2 PHE 85 1HB PHE 85 8.089 -3.220 -6.122 600 HB3 PHE 85 2HB PHE 85 6.820 -2.706 -5.015 601 HD1 PHE 85 1HD PHE 85 9.607 -1.448 -7.108 602 HD2 PHE 85 2HD PHE 85 5.966 -0.537 -5.101 603 HE1 PHE 85 1HE PHE 85 9.568 0.763 -8.189 604 HE2 PHE 85 2HE PHE 85 5.921 1.674 -6.179 605 HZ PHE 85 HZ PHE 85 7.722 2.326 -7.726 606 H ASN 86 H ASN 86 10.893 -3.565 -5.234 607 HA ASN 86 HA ASN 86 12.169 -1.041 -5.843 608 HB2 ASN 86 1HB ASN 86 14.182 -1.459 -4.544 609 HB3 ASN 86 2HB ASN 86 12.784 -1.423 -3.473 610 HD21 ASN 86 1HD2 ASN 86 13.824 -2.620 -1.896 611 HD22 ASN 86 2HD2 ASN 86 14.134 -4.311 -2.071 612 H LYS 87 H LYS 87 14.576 -1.646 -6.602 613 HA LYS 87 HA LYS 87 14.543 -2.789 -9.010 614 HB2 LYS 87 1HB LYS 87 16.704 -2.912 -6.920 615 HB3 LYS 87 2HB LYS 87 16.949 -3.585 -8.527 616 HG2 LYS 87 1HG LYS 87 16.383 -1.344 -9.468 617 HG3 LYS 87 2HG LYS 87 16.372 -0.719 -7.817 618 HD2 LYS 87 1HD LYS 87 18.713 -1.512 -7.561 619 HD3 LYS 87 2HD LYS 87 18.701 -1.980 -9.263 620 HE2 LYS 87 1HE LYS 87 19.738 0.159 -9.117 621 HE3 LYS 87 2HE LYS 87 18.138 0.395 -9.819 622 HZ1 LYS 87 1HZ LYS 87 17.468 1.605 -8.078 623 HZ2 LYS 87 2HZ LYS 87 19.117 1.799 -7.752 624 HZ3 LYS 87 3HZ LYS 87 18.229 0.610 -6.941 625 H THR 88 H THR 88 15.162 -4.649 -6.037 626 HA THR 88 HA THR 88 15.521 -7.158 -7.025 627 HB THR 88 HB THR 88 13.773 -6.548 -4.636 628 HG1 THR 88 1HG THR 88 15.867 -6.788 -3.527 629 HG21 THR 88 1HG2 THR 88 15.614 -8.883 -4.823 630 HG22 THR 88 2HG2 THR 88 14.078 -8.951 -5.686 631 HG23 THR 88 3HG2 THR 88 14.098 -8.711 -3.939 632 H GLY 89 H GLY 89 12.305 -6.178 -5.834 633 HA2 GLY 89 1HA GLY 89 10.956 -6.932 -8.228 634 HA3 GLY 89 2HA GLY 89 10.861 -8.211 -7.026 635 H VAL 90 H VAL 90 9.277 -8.116 -5.566 636 HA VAL 90 HA VAL 90 8.160 -5.577 -4.732 637 HB VAL 90 HB VAL 90 5.795 -6.695 -5.241 638 HG11 VAL 90 1HG1 VAL 90 5.735 -5.330 -7.337 639 HG12 VAL 90 2HG1 VAL 90 6.349 -4.473 -5.922 640 HG13 VAL 90 3HG1 VAL 90 7.468 -5.070 -7.148 641 HG21 VAL 90 1HG2 VAL 90 7.594 -7.724 -7.431 642 HG22 VAL 90 2HG2 VAL 90 6.651 -8.688 -6.294 643 HG23 VAL 90 3HG2 VAL 90 5.832 -7.703 -7.505 644 H SER 91 H SER 91 7.124 -5.679 -2.768 645 HA SER 91 HA SER 91 7.444 -8.197 -1.323 646 HB2 SER 91 1HB SER 91 7.543 -6.956 0.632 647 HB3 SER 91 2HB SER 91 8.206 -5.805 -0.529 648 HG SER 91 HG SER 91 6.395 -5.160 1.005 649 HA PRO 92 HA PRO 92 3.173 -9.197 -1.181 650 HB2 PRO 92 1HB PRO 92 2.976 -10.326 1.280 651 HB3 PRO 92 2HB PRO 92 3.782 -11.118 -0.079 652 HG2 PRO 92 1HG PRO 92 4.975 -9.588 2.201 653 HG3 PRO 92 2HG PRO 92 5.514 -11.113 1.473 654 HD2 PRO 92 1HD PRO 92 6.674 -8.735 0.899 655 HD3 PRO 92 2HD PRO 92 6.555 -10.051 -0.287 656 H TYR 93 H TYR 93 1.250 -8.309 -0.599 657 HA TYR 93 HA TYR 93 1.131 -5.812 0.605 658 HB2 TYR 93 1HB TYR 93 -1.084 -7.859 0.366 659 HB3 TYR 93 2HB TYR 93 -1.309 -6.143 0.684 660 HD1 TYR 93 1HD TYR 93 -0.142 -4.559 -1.118 661 HD2 TYR 93 2HD TYR 93 -1.327 -8.586 -1.809 662 HE1 TYR 93 1HE TYR 93 -0.216 -4.116 -3.536 663 HE2 TYR 93 2HE TYR 93 -1.404 -8.155 -4.229 664 HH TYR 93 HH TYR 93 -1.748 -5.606 -5.632 665 H SER 94 H SER 94 0.634 -5.066 2.631 666 HA SER 94 HA SER 94 1.406 -6.649 4.836 667 HB2 SER 94 1HB SER 94 0.267 -4.655 6.119 668 HB3 SER 94 2HB SER 94 1.752 -4.386 5.207 669 HG SER 94 HG SER 94 -0.875 -3.613 4.616 670 H LYS 95 H LYS 95 -0.216 -6.426 6.883 671 HA LYS 95 HA LYS 95 -2.179 -8.391 6.479 672 HB2 LYS 95 1HB LYS 95 -1.034 -7.797 8.655 673 HB3 LYS 95 2HB LYS 95 -2.114 -6.412 8.758 674 HG2 LYS 95 1HG LYS 95 -3.013 -8.157 10.105 675 HG3 LYS 95 2HG LYS 95 -4.038 -7.988 8.679 676 HD2 LYS 95 1HD LYS 95 -2.831 -9.884 7.639 677 HD3 LYS 95 2HD LYS 95 -1.911 -10.080 9.133 678 HE2 LYS 95 1HE LYS 95 -3.844 -10.685 10.353 679 HE3 LYS 95 2HE LYS 95 -4.917 -10.155 9.058 680 HZ1 LYS 95 1HZ LYS 95 -3.454 -12.644 9.349 681 HZ2 LYS 95 2HZ LYS 95 -3.476 -11.994 7.788 682 HZ3 LYS 95 3HZ LYS 95 -4.930 -12.338 8.581 683 H THR 96 H THR 96 -3.888 -8.089 5.197 684 HA THR 96 HA THR 96 -5.093 -5.903 4.252 685 HB THR 96 HB THR 96 -6.906 -8.038 5.327 686 HG1 THR 96 1HG THR 96 -5.057 -8.291 3.171 687 HG21 THR 96 1HG2 THR 96 -8.059 -6.403 4.084 688 HG22 THR 96 2HG2 THR 96 -7.829 -7.744 2.962 689 HG23 THR 96 3HG2 THR 96 -6.793 -6.321 2.860 690 H LEU 97 H LEU 97 -5.822 -4.086 5.123 691 HA LEU 97 HA LEU 97 -6.762 -4.095 7.894 692 HB2 LEU 97 1HB LEU 97 -5.081 -2.468 7.450 693 HB3 LEU 97 2HB LEU 97 -5.934 -1.890 6.021 694 HG LEU 97 HG LEU 97 -7.784 -1.188 7.675 695 HD11 LEU 97 1HD1 LEU 97 -5.459 -1.626 9.535 696 HD12 LEU 97 2HD1 LEU 97 -7.081 -2.310 9.645 697 HD13 LEU 97 3HD1 LEU 97 -6.831 -0.585 9.916 698 HD21 LEU 97 1HD2 LEU 97 -5.963 0.209 6.425 699 HD22 LEU 97 2HD2 LEU 97 -5.277 0.390 8.040 700 HD23 LEU 97 3HD2 LEU 97 -6.920 0.944 7.712 701 H VAL 98 H VAL 98 -8.759 -3.265 8.509 702 HA VAL 98 HA VAL 98 -10.702 -2.907 6.320 703 HB VAL 98 HB VAL 98 -11.293 -4.078 9.041 704 HG11 VAL 98 1HG1 VAL 98 -13.416 -4.764 7.911 705 HG12 VAL 98 2HG1 VAL 98 -13.228 -3.022 8.119 706 HG13 VAL 98 3HG1 VAL 98 -12.945 -3.758 6.541 707 HG21 VAL 98 1HG2 VAL 98 -9.898 -5.331 7.049 708 HG22 VAL 98 2HG2 VAL 98 -10.851 -6.143 8.291 709 HG23 VAL 98 3HG2 VAL 98 -11.558 -5.820 6.708 710 H LEU 99 H LEU 99 -11.538 -0.938 6.242 711 HA LEU 99 HA LEU 99 -11.639 0.652 8.720 712 HB2 LEU 99 1HB LEU 99 -11.708 1.779 5.939 713 HB3 LEU 99 2HB LEU 99 -11.350 2.610 7.451 714 HG LEU 99 HG LEU 99 -9.298 0.911 7.438 715 HD11 LEU 99 1HD1 LEU 99 -9.369 1.486 4.532 716 HD12 LEU 99 2HD1 LEU 99 -10.339 0.136 5.120 717 HD13 LEU 99 3HD1 LEU 99 -8.600 0.165 5.411 718 HD21 LEU 99 1HD2 LEU 99 -8.645 3.074 7.622 719 HD22 LEU 99 2HD2 LEU 99 -9.706 3.623 6.325 720 HD23 LEU 99 3HD2 LEU 99 -8.184 2.819 5.939 721 H GLN 100 H GLN 100 -13.682 -0.173 9.326 722 HA GLN 100 HA GLN 100 -15.947 -0.018 7.595 723 HB2 GLN 100 1HB GLN 100 -15.478 -0.682 10.458 724 HB3 GLN 100 2HB GLN 100 -17.107 -0.213 9.988 725 HG2 GLN 100 1HG GLN 100 -17.441 -2.085 8.739 726 HG3 GLN 100 2HG GLN 100 -15.731 -2.265 8.350 727 HE21 GLN 100 1HE2 GLN 100 -14.405 -3.401 9.716 728 HE22 GLN 100 2HE2 GLN 100 -14.996 -4.344 11.037 729 H THR 101 H THR 101 -16.273 2.032 6.840 730 HA THR 101 HA THR 101 -16.073 4.397 8.325 731 HB THR 101 HB THR 101 -17.415 5.450 6.546 732 HG1 THR 101 1HG THR 101 -17.596 2.989 5.200 733 HG21 THR 101 1HG2 THR 101 -15.964 4.328 4.587 734 HG22 THR 101 2HG2 THR 101 -15.099 3.692 5.986 735 HG23 THR 101 3HG2 THR 101 -15.278 5.434 5.776 736 H SER 102 H SER 102 -17.927 5.894 8.782 737 HA SER 102 HA SER 102 -19.882 4.476 10.391 738 HB2 SER 102 1HB SER 102 -19.063 7.361 10.141 739 HB3 SER 102 2HB SER 102 -20.530 6.906 11.009 740 HG SER 102 HG SER 102 -17.893 6.007 11.560 741 H GLU 103 H GLU 103 -22.130 5.742 10.429 742 HA GLU 103 HA GLU 103 -23.254 5.299 7.806 743 HB2 GLU 103 1HB GLU 103 -25.420 5.698 8.924 744 HB3 GLU 103 2HB GLU 103 -24.460 4.472 9.740 745 HG2 GLU 103 1HG GLU 103 -23.816 6.050 11.445 746 HG3 GLU 103 2HG GLU 103 -24.654 7.349 10.600 747 H GLY 104 H GLY 104 -22.192 7.976 9.679 748 HA2 GLY 104 1HA GLY 104 -22.018 9.905 7.879 749 HA3 GLY 104 2HA GLY 104 -23.757 9.897 8.131 750 H SER 105 H SER 105 -20.895 11.272 9.091 751 HA SER 105 HA SER 105 -20.870 11.633 11.763 752 HB2 SER 105 1HB SER 105 -20.145 14.030 11.297 753 HB3 SER 105 2HB SER 105 -19.236 12.772 10.459 754 HG SER 105 HG SER 105 -19.710 14.139 8.863 755 H GLY 106 H GLY 106 -22.881 13.572 9.542 756 HA2 GLY 106 1HA GLY 106 -25.229 13.915 10.167 757 HA3 GLY 106 2HA GLY 106 -24.681 14.094 11.827 758 HA PRO 107 HA PRO 107 -25.244 18.361 10.265 759 HB2 PRO 107 1HB PRO 107 -26.050 19.353 12.660 760 HB3 PRO 107 2HB PRO 107 -27.152 18.557 11.529 761 HG2 PRO 107 1HG PRO 107 -25.810 17.448 13.964 762 HG3 PRO 107 2HG PRO 107 -27.482 17.237 13.415 763 HD2 PRO 107 1HD PRO 107 -25.575 15.354 13.030 764 HD3 PRO 107 2HD PRO 107 -26.908 15.610 11.886 765 H SER 108 H SER 108 -23.273 19.232 9.989 766 HA SER 108 HA SER 108 -21.274 19.187 12.059 767 HB2 SER 108 1HB SER 108 -19.901 20.446 10.408 768 HB3 SER 108 2HB SER 108 -20.576 18.959 9.742 769 HG SER 108 HG SER 108 -21.030 21.566 9.032 770 H SER 109 H SER 109 -23.143 21.722 10.406 771 HA SER 109 HA SER 109 -22.144 23.791 12.129 772 HB2 SER 109 1HB SER 109 -22.921 24.083 9.714 773 HB3 SER 109 2HB SER 109 -24.567 23.984 10.339 774 HG SER 109 HG SER 109 -22.653 25.989 10.653 775 H GLY 110 H GLY 110 -25.410 22.435 11.615 776 HA2 GLY 110 1HA GLY 110 -25.957 22.240 14.397 777 HA3 GLY 110 2HA GLY 110 -26.684 23.695 13.731 Start of MODEL 3 1 H1 GLY 1 H GLY 1 21.606 -18.262 0.121 2 HA2 GLY 1 1HA GLY 1 23.236 -17.529 2.024 3 HA3 GLY 1 2HA GLY 1 23.910 -19.123 1.721 4 H SER 2 H SER 2 25.147 -16.488 1.417 5 HA SER 2 HA SER 2 26.201 -16.889 -1.253 6 HB2 SER 2 1HB SER 2 24.206 -15.293 -1.425 7 HB3 SER 2 2HB SER 2 25.193 -14.137 -0.532 8 HG SER 2 HG SER 2 26.498 -13.917 -2.217 9 H SER 3 H SER 3 27.957 -15.116 -1.661 10 HA SER 3 HA SER 3 29.598 -15.037 0.765 11 HB2 SER 3 1HB SER 3 30.205 -15.027 -2.169 12 HB3 SER 3 2HB SER 3 31.383 -14.355 -1.042 13 HG SER 3 HG SER 3 30.922 -16.506 0.102 14 H GLY 4 H GLY 4 28.033 -12.990 -1.575 15 HA2 GLY 4 1HA GLY 4 29.022 -10.638 -0.085 16 HA3 GLY 4 2HA GLY 4 28.858 -10.626 -1.834 17 H SER 5 H SER 5 27.619 -8.707 -0.321 18 HA SER 5 HA SER 5 24.943 -9.365 0.367 19 HB2 SER 5 1HB SER 5 26.268 -6.710 -0.223 20 HB3 SER 5 2HB SER 5 24.611 -6.871 0.359 21 HG SER 5 HG SER 5 26.609 -8.193 1.782 22 H SER 6 H SER 6 23.167 -9.512 -0.848 23 HA SER 6 HA SER 6 23.408 -8.875 -3.707 24 HB2 SER 6 1HB SER 6 21.666 -10.820 -2.197 25 HB3 SER 6 2HB SER 6 21.335 -10.375 -3.871 26 HG SER 6 HG SER 6 23.944 -11.043 -3.465 27 H GLY 7 H GLY 7 21.276 -8.505 -0.905 28 HA2 GLY 7 1HA GLY 7 20.071 -6.503 -0.471 29 HA3 GLY 7 2HA GLY 7 20.129 -6.129 -2.187 30 HA PRO 8 HA PRO 8 16.622 -9.407 -1.356 31 HB2 PRO 8 1HB PRO 8 15.615 -9.314 1.164 32 HB3 PRO 8 2HB PRO 8 16.925 -10.403 0.692 33 HG2 PRO 8 1HG PRO 8 17.070 -7.765 2.100 34 HG3 PRO 8 2HG PRO 8 17.954 -9.264 2.439 35 HD2 PRO 8 1HD PRO 8 19.059 -7.195 1.087 36 HD3 PRO 8 2HD PRO 8 19.489 -8.887 0.762 37 H VAL 9 H VAL 9 14.225 -9.076 -0.788 38 HA VAL 9 HA VAL 9 13.370 -6.615 -1.828 39 HB VAL 9 HB VAL 9 11.085 -7.344 -0.933 40 HG11 VAL 9 1HG1 VAL 9 12.764 -8.881 -2.873 41 HG12 VAL 9 2HG1 VAL 9 11.102 -9.378 -2.545 42 HG13 VAL 9 3HG1 VAL 9 11.433 -7.766 -3.182 43 HG21 VAL 9 1HG2 VAL 9 10.818 -9.461 0.016 44 HG22 VAL 9 2HG2 VAL 9 12.441 -9.976 -0.444 45 HG23 VAL 9 3HG2 VAL 9 12.224 -8.801 0.852 46 HA PRO 10 HA PRO 10 13.185 -3.885 1.605 47 HB2 PRO 10 1HB PRO 10 10.990 -2.412 0.987 48 HB3 PRO 10 2HB PRO 10 12.524 -2.259 0.123 49 HG2 PRO 10 1HG PRO 10 10.060 -3.775 -0.645 50 HG3 PRO 10 2HG PRO 10 11.106 -2.758 -1.652 51 HD2 PRO 10 1HD PRO 10 11.264 -5.461 -1.655 52 HD3 PRO 10 2HD PRO 10 12.679 -4.421 -1.920 53 H ALA 11 H ALA 11 12.637 -4.481 3.601 54 HA ALA 11 HA ALA 11 10.749 -6.223 4.446 55 HB1 ALA 11 1HB ALA 11 12.302 -4.123 5.688 56 HB2 ALA 11 2HB ALA 11 10.741 -4.335 6.481 57 HB3 ALA 11 3HB ALA 11 11.839 -5.705 6.315 58 H THR 12 H THR 12 8.604 -6.329 4.480 59 HA THR 12 HA THR 12 6.890 -4.557 3.294 60 HB THR 12 HB THR 12 6.287 -6.452 5.571 61 HG1 THR 12 1HG THR 12 5.883 -6.701 2.758 62 HG21 THR 12 1HG2 THR 12 4.603 -4.575 5.208 63 HG22 THR 12 2HG2 THR 12 3.982 -6.223 5.107 64 HG23 THR 12 3HG2 THR 12 4.290 -5.305 3.633 65 HA PRO 13 HA PRO 13 6.649 -1.087 6.016 66 HB2 PRO 13 1HB PRO 13 4.391 0.026 5.000 67 HB3 PRO 13 2HB PRO 13 5.954 0.102 4.177 68 HG2 PRO 13 1HG PRO 13 3.646 -1.742 3.694 69 HG3 PRO 13 2HG PRO 13 4.669 -0.898 2.517 70 HD2 PRO 13 1HD PRO 13 5.016 -3.510 3.142 71 HD3 PRO 13 2HD PRO 13 6.366 -2.448 2.694 72 H ILE 14 H ILE 14 5.738 -0.667 7.955 73 HA ILE 14 HA ILE 14 3.674 -2.463 8.907 74 HB ILE 14 HB ILE 14 5.176 -0.283 10.361 75 HG12 ILE 14 1HG1 ILE 14 5.581 -3.196 10.862 76 HG13 ILE 14 2HG1 ILE 14 6.314 -2.494 9.424 77 HG21 ILE 14 1HG2 ILE 14 3.904 -2.475 11.858 78 HG22 ILE 14 2HG2 ILE 14 4.040 -0.761 12.247 79 HG23 ILE 14 3HG2 ILE 14 2.802 -1.314 11.119 80 HD11 ILE 14 1HD1 ILE 14 7.400 -2.550 11.946 81 HD12 ILE 14 2HD1 ILE 14 7.925 -1.528 10.606 82 HD13 ILE 14 3HD1 ILE 14 6.788 -0.902 11.801 83 H LEU 15 H LEU 15 1.757 -1.840 7.970 84 HA LEU 15 HA LEU 15 0.814 0.734 7.575 85 HB2 LEU 15 1HB LEU 15 -0.137 -1.602 6.896 86 HB3 LEU 15 2HB LEU 15 -1.058 -1.446 8.390 87 HG LEU 15 HG LEU 15 -1.142 0.670 6.260 88 HD11 LEU 15 1HD1 LEU 15 -2.652 -0.441 5.009 89 HD12 LEU 15 2HD1 LEU 15 -3.341 -1.287 6.394 90 HD13 LEU 15 3HD1 LEU 15 -1.838 -1.859 5.670 91 HD21 LEU 15 1HD2 LEU 15 -2.889 1.541 7.424 92 HD22 LEU 15 2HD2 LEU 15 -2.025 0.788 8.764 93 HD23 LEU 15 3HD2 LEU 15 -3.410 -0.028 8.038 94 H GLN 16 H GLN 16 1.280 2.068 9.324 95 HA GLN 16 HA GLN 16 -0.351 1.584 11.730 96 HB2 GLN 16 1HB GLN 16 2.378 2.835 11.461 97 HB3 GLN 16 2HB GLN 16 1.383 3.042 12.897 98 HG2 GLN 16 1HG GLN 16 1.909 0.286 11.916 99 HG3 GLN 16 2HG GLN 16 3.200 1.154 12.745 100 HE21 GLN 16 1HE2 GLN 16 2.808 -0.775 14.185 101 HE22 GLN 16 2HE2 GLN 16 1.671 -0.566 15.469 102 H LEU 17 H LEU 17 -1.703 2.771 9.821 103 HA LEU 17 HA LEU 17 -1.495 5.449 9.294 104 HB2 LEU 17 1HB LEU 17 -3.734 5.426 8.699 105 HB3 LEU 17 2HB LEU 17 -3.245 3.742 8.522 106 HG LEU 17 HG LEU 17 -4.202 3.560 10.973 107 HD11 LEU 17 1HD1 LEU 17 -5.078 5.481 11.690 108 HD12 LEU 17 2HD1 LEU 17 -6.402 5.157 10.571 109 HD13 LEU 17 3HD1 LEU 17 -5.063 6.192 10.076 110 HD21 LEU 17 1HD2 LEU 17 -6.277 3.781 8.848 111 HD22 LEU 17 2HD2 LEU 17 -6.034 2.526 10.064 112 HD23 LEU 17 3HD2 LEU 17 -4.978 2.604 8.652 113 H GLU 18 H GLU 18 -2.923 7.233 10.176 114 HA GLU 18 HA GLU 18 -2.718 7.226 13.110 115 HB2 GLU 18 1HB GLU 18 -1.430 8.927 11.677 116 HB3 GLU 18 2HB GLU 18 -2.992 9.678 11.386 117 HG2 GLU 18 1HG GLU 18 -2.189 10.895 13.161 118 HG3 GLU 18 2HG GLU 18 -3.195 9.691 13.964 119 H GLU 19 H GLU 19 -4.828 8.104 10.414 120 HA GLU 19 HA GLU 19 -6.937 9.324 11.535 121 HB2 GLU 19 1HB GLU 19 -6.695 8.399 9.156 122 HB3 GLU 19 2HB GLU 19 -7.390 6.913 9.788 123 HG2 GLU 19 1HG GLU 19 -8.690 9.627 9.800 124 HG3 GLU 19 2HG GLU 19 -9.085 8.282 8.731 125 H CYS 20 H CYS 20 -7.709 8.992 13.525 126 HA CYS 20 HA CYS 20 -8.283 6.241 14.379 127 HB2 CYS 20 1HB CYS 20 -7.828 8.791 15.920 128 HB3 CYS 20 2HB CYS 20 -8.514 7.356 16.671 129 HG CYS 20 HG CYS 20 -5.728 6.632 15.029 130 H CYS 21 H CYS 21 -9.700 9.477 14.895 131 HA CYS 21 HA CYS 21 -12.342 8.272 15.099 132 HB2 CYS 21 1HB CYS 21 -11.379 11.109 15.509 133 HB3 CYS 21 2HB CYS 21 -13.053 10.600 15.693 134 HG CYS 21 HG CYS 21 -12.634 8.991 17.877 135 H THR 22 H THR 22 -13.063 7.730 13.104 136 HA THR 22 HA THR 22 -12.594 9.072 10.714 137 HB THR 22 HB THR 22 -13.504 6.816 10.741 138 HG1 THR 22 1HG THR 22 -14.017 7.738 8.840 139 HG21 THR 22 1HG2 THR 22 -15.603 6.225 11.551 140 HG22 THR 22 2HG2 THR 22 -16.198 7.885 11.505 141 HG23 THR 22 3HG2 THR 22 -15.046 7.395 12.746 142 H HIS 23 H HIS 23 -13.467 10.798 9.718 143 HA HIS 23 HA HIS 23 -15.849 12.042 10.912 144 HB2 HIS 23 1HB HIS 23 -13.553 13.133 11.484 145 HB3 HIS 23 2HB HIS 23 -13.613 13.726 9.827 146 HD1 HIS 23 1HD HIS 23 -14.048 15.153 12.844 147 HD2 HIS 23 2HD HIS 23 -16.692 14.717 9.669 148 HE1 HIS 23 1HE HIS 23 -15.776 16.952 13.157 149 HE2 HIS 23 2HE HIS 23 -17.413 16.615 11.272 150 H ASN 24 H ASN 24 -13.682 11.991 8.095 151 HA ASN 24 HA ASN 24 -16.020 12.579 6.399 152 HB2 ASN 24 1HB ASN 24 -13.139 13.392 6.171 153 HB3 ASN 24 2HB ASN 24 -14.142 13.284 4.727 154 HD21 ASN 24 1HD2 ASN 24 -15.837 14.723 4.446 155 HD22 ASN 24 2HD2 ASN 24 -15.978 16.172 5.377 156 H ASN 25 H ASN 25 -15.480 11.806 4.021 157 HA ASN 25 HA ASN 25 -15.122 8.940 4.225 158 HB2 ASN 25 1HB ASN 25 -15.573 9.248 1.624 159 HB3 ASN 25 2HB ASN 25 -16.881 9.331 2.801 160 HD21 ASN 25 1HD2 ASN 25 -15.015 11.034 0.486 161 HD22 ASN 25 2HD2 ASN 25 -15.860 12.538 0.583 162 H SER 26 H SER 26 -12.761 9.676 4.868 163 HA SER 26 HA SER 26 -11.129 9.211 2.482 164 HB2 SER 26 1HB SER 26 -10.644 11.452 2.575 165 HB3 SER 26 2HB SER 26 -10.978 11.563 4.302 166 HG SER 26 HG SER 26 -8.929 11.321 4.637 167 H ALA 27 H ALA 27 -8.996 8.368 2.963 168 HA ALA 27 HA ALA 27 -8.726 7.227 5.658 169 HB1 ALA 27 1HB ALA 27 -7.705 5.213 4.219 170 HB2 ALA 27 2HB ALA 27 -9.398 5.287 4.710 171 HB3 ALA 27 3HB ALA 27 -8.928 5.788 3.086 172 H THR 28 H THR 28 -6.968 8.235 6.412 173 HA THR 28 HA THR 28 -4.754 8.908 4.673 174 HB THR 28 HB THR 28 -4.970 9.258 7.669 175 HG1 THR 28 1HG THR 28 -6.414 10.701 7.080 176 HG21 THR 28 1HG2 THR 28 -3.367 11.250 6.608 177 HG22 THR 28 2HG2 THR 28 -2.888 9.808 5.714 178 HG23 THR 28 3HG2 THR 28 -2.812 9.819 7.475 179 H LEU 29 H LEU 29 -2.916 7.794 4.439 180 HA LEU 29 HA LEU 29 -2.457 5.505 6.237 181 HB2 LEU 29 1HB LEU 29 -2.170 5.839 3.299 182 HB3 LEU 29 2HB LEU 29 -1.026 4.785 4.127 183 HG LEU 29 HG LEU 29 -3.232 3.840 3.051 184 HD11 LEU 29 1HD1 LEU 29 -3.150 2.432 5.466 185 HD12 LEU 29 2HD1 LEU 29 -1.517 3.046 5.213 186 HD13 LEU 29 3HD1 LEU 29 -2.289 2.058 3.973 187 HD21 LEU 29 1HD2 LEU 29 -5.116 3.779 4.444 188 HD22 LEU 29 2HD2 LEU 29 -4.597 5.465 4.467 189 HD23 LEU 29 3HD2 LEU 29 -4.222 4.407 5.828 190 H SER 30 H SER 30 -0.674 5.564 7.429 191 HA SER 30 HA SER 30 1.606 7.172 6.495 192 HB2 SER 30 1HB SER 30 1.971 8.036 8.730 193 HB3 SER 30 2HB SER 30 0.315 8.402 8.244 194 HG SER 30 HG SER 30 1.251 6.752 10.246 195 H TRP 31 H TRP 31 1.661 4.589 5.947 196 HA TRP 31 HA TRP 31 2.489 2.774 7.876 197 HB2 TRP 31 1HB TRP 31 3.579 1.554 6.007 198 HB3 TRP 31 2HB TRP 31 1.939 2.068 5.622 199 HD1 TRP 31 HD TRP 31 5.599 2.910 4.789 200 HE1 TRP 31 1HE TRP 31 5.648 4.182 2.552 201 HE3 TRP 31 3HE TRP 31 0.570 3.478 4.067 202 HZ2 TRP 31 2HZ TRP 31 3.800 5.280 0.723 203 HZ3 TRP 31 3HZ TRP 31 -0.207 4.651 2.048 204 HH2 TRP 31 HH TRP 31 1.377 5.534 0.413 205 H LYS 32 H LYS 32 4.603 1.955 8.394 206 HA LYS 32 HA LYS 32 6.848 3.759 7.894 207 HB2 LYS 32 1HB LYS 32 7.419 4.018 10.183 208 HB3 LYS 32 2HB LYS 32 5.706 4.399 10.060 209 HG2 LYS 32 1HG LYS 32 5.117 2.231 10.938 210 HG3 LYS 32 2HG LYS 32 6.814 1.746 10.957 211 HD2 LYS 32 1HD LYS 32 7.108 3.860 12.459 212 HD3 LYS 32 2HD LYS 32 5.371 3.682 12.720 213 HE2 LYS 32 1HE LYS 32 5.680 1.449 13.566 214 HE3 LYS 32 2HE LYS 32 7.395 1.491 13.164 215 HZ1 LYS 32 1HZ LYS 32 6.773 1.919 15.561 216 HZ2 LYS 32 2HZ LYS 32 6.179 3.418 15.051 217 HZ3 LYS 32 3HZ LYS 32 7.816 3.043 14.847 218 H GLN 33 H GLN 33 8.829 2.764 7.855 219 HA GLN 33 HA GLN 33 8.836 -0.071 7.515 220 HB2 GLN 33 1HB GLN 33 10.914 2.082 7.386 221 HB3 GLN 33 2HB GLN 33 11.408 0.395 7.411 222 HG2 GLN 33 1HG GLN 33 9.358 1.313 5.449 223 HG3 GLN 33 2HG GLN 33 11.067 1.623 5.151 224 HE21 GLN 33 1HE2 GLN 33 9.132 -0.099 3.748 225 HE22 GLN 33 2HE2 GLN 33 9.838 -1.675 3.738 226 HA PRO 34 HA PRO 34 9.754 -1.370 11.615 227 HB2 PRO 34 1HB PRO 34 10.991 -3.725 11.069 228 HB3 PRO 34 2HB PRO 34 9.247 -3.494 10.899 229 HG2 PRO 34 1HG PRO 34 11.380 -3.436 8.799 230 HG3 PRO 34 2HG PRO 34 9.776 -4.191 8.744 231 HD2 PRO 34 1HD PRO 34 10.303 -1.805 7.577 232 HD3 PRO 34 2HD PRO 34 8.716 -2.200 8.268 233 HA PRO 35 HA PRO 35 13.889 0.066 12.333 234 HB2 PRO 35 1HB PRO 35 14.002 -0.526 14.980 235 HB3 PRO 35 2HB PRO 35 13.095 0.850 14.342 236 HG2 PRO 35 1HG PRO 35 12.108 -1.857 15.157 237 HG3 PRO 35 2HG PRO 35 11.398 -0.264 15.478 238 HD2 PRO 35 1HD PRO 35 10.490 -1.895 13.517 239 HD3 PRO 35 2HD PRO 35 10.448 -0.126 13.382 240 H LEU 36 H LEU 36 12.829 -3.144 12.485 241 HA LEU 36 HA LEU 36 15.425 -4.207 13.287 242 HB2 LEU 36 1HB LEU 36 12.836 -5.582 12.587 243 HB3 LEU 36 2HB LEU 36 14.307 -6.408 13.098 244 HG LEU 36 HG LEU 36 12.644 -4.517 14.761 245 HD11 LEU 36 1HD1 LEU 36 12.477 -6.685 16.148 246 HD12 LEU 36 2HD1 LEU 36 12.933 -7.493 14.649 247 HD13 LEU 36 3HD1 LEU 36 11.467 -6.515 14.712 248 HD21 LEU 36 1HD2 LEU 36 14.156 -5.115 16.588 249 HD22 LEU 36 2HD2 LEU 36 15.013 -4.295 15.283 250 HD23 LEU 36 3HD2 LEU 36 15.148 -6.045 15.465 251 H SER 37 H SER 37 14.271 -2.955 10.555 252 HA SER 37 HA SER 37 15.549 -4.959 8.816 253 HB2 SER 37 1HB SER 37 13.376 -2.939 8.300 254 HB3 SER 37 2HB SER 37 14.298 -3.648 6.975 255 HG SER 37 HG SER 37 13.187 -5.355 8.892 256 H THR 38 H THR 38 16.891 -4.195 7.083 257 HA THR 38 HA THR 38 17.979 -1.491 7.469 258 HB THR 38 HB THR 38 20.268 -2.450 6.987 259 HG1 THR 38 1HG THR 38 19.125 -4.914 7.817 260 HG21 THR 38 1HG2 THR 38 19.918 -3.754 9.462 261 HG22 THR 38 2HG2 THR 38 18.765 -2.420 9.428 262 HG23 THR 38 3HG2 THR 38 20.482 -2.108 9.178 263 H VAL 39 H VAL 39 16.221 -3.005 5.459 264 HA VAL 39 HA VAL 39 17.832 -2.549 3.042 265 HB VAL 39 HB VAL 39 15.135 -3.881 3.096 266 HG11 VAL 39 1HG1 VAL 39 15.466 -4.173 0.917 267 HG12 VAL 39 2HG1 VAL 39 16.872 -3.114 1.050 268 HG13 VAL 39 3HG1 VAL 39 17.065 -4.862 1.194 269 HG21 VAL 39 1HG2 VAL 39 17.680 -4.896 4.111 270 HG22 VAL 39 2HG2 VAL 39 16.040 -5.498 4.355 271 HG23 VAL 39 3HG2 VAL 39 16.933 -5.937 2.899 272 HA PRO 40 HA PRO 40 15.497 1.238 2.620 273 HB2 PRO 40 1HB PRO 40 16.748 2.058 0.354 274 HB3 PRO 40 2HB PRO 40 17.472 2.208 1.960 275 HG2 PRO 40 1HG PRO 40 17.942 0.130 -0.143 276 HG3 PRO 40 2HG PRO 40 19.119 0.966 0.886 277 HD2 PRO 40 1HD PRO 40 18.251 -1.545 1.408 278 HD3 PRO 40 2HD PRO 40 18.702 -0.405 2.692 279 H ALA 41 H ALA 41 13.772 1.895 1.389 280 HA ALA 41 HA ALA 41 12.885 0.009 -0.681 281 HB1 ALA 41 1HB ALA 41 11.196 0.077 0.883 282 HB2 ALA 41 2HB ALA 41 11.439 1.789 1.229 283 HB3 ALA 41 3HB ALA 41 10.654 1.295 -0.271 284 H ASP 42 H ASP 42 12.141 0.728 -2.680 285 HA ASP 42 HA ASP 42 13.191 3.336 -3.484 286 HB2 ASP 42 1HB ASP 42 13.807 1.249 -4.745 287 HB3 ASP 42 2HB ASP 42 12.124 1.130 -5.253 288 H GLY 43 H GLY 43 10.199 1.573 -3.155 289 HA2 GLY 43 1HA GLY 43 8.679 4.000 -3.371 290 HA3 GLY 43 2HA GLY 43 8.442 2.934 -4.748 291 H TYR 44 H TYR 44 6.193 3.267 -3.665 292 HA TYR 44 HA TYR 44 5.656 0.820 -2.186 293 HB2 TYR 44 1HB TYR 44 4.889 3.559 -1.161 294 HB3 TYR 44 2HB TYR 44 4.222 2.052 -0.542 295 HD1 TYR 44 2HD TYR 44 7.430 3.875 -1.016 296 HD2 TYR 44 1HD TYR 44 5.323 0.887 1.159 297 HE1 TYR 44 2HE TYR 44 9.319 3.690 0.549 298 HE2 TYR 44 1HE TYR 44 7.205 0.695 2.731 299 HH TYR 44 HH TYR 44 9.197 2.493 3.445 300 H ILE 45 H ILE 45 3.846 -0.133 -2.879 301 HA ILE 45 HA ILE 45 2.068 1.423 -4.632 302 HB ILE 45 HB ILE 45 2.542 -1.557 -4.520 303 HG12 ILE 45 1HG1 ILE 45 3.096 0.356 -6.788 304 HG13 ILE 45 2HG1 ILE 45 4.304 -0.053 -5.575 305 HG21 ILE 45 1HG2 ILE 45 1.067 -0.570 -6.809 306 HG22 ILE 45 2HG2 ILE 45 0.695 -1.902 -5.716 307 HG23 ILE 45 3HG2 ILE 45 0.223 -0.256 -5.293 308 HD11 ILE 45 1HD1 ILE 45 4.110 -2.416 -6.217 309 HD12 ILE 45 2HD1 ILE 45 2.959 -1.959 -7.474 310 HD13 ILE 45 3HD1 ILE 45 4.625 -1.386 -7.553 311 H LEU 46 H LEU 46 0.062 1.830 -3.982 312 HA LEU 46 HA LEU 46 -0.950 0.443 -1.607 313 HB2 LEU 46 1HB LEU 46 -1.566 3.067 -2.907 314 HB3 LEU 46 2HB LEU 46 -2.717 2.331 -1.794 315 HG LEU 46 HG LEU 46 0.130 3.035 -1.088 316 HD11 LEU 46 1HD1 LEU 46 -2.244 4.675 -1.283 317 HD12 LEU 46 2HD1 LEU 46 -0.570 5.141 -0.983 318 HD13 LEU 46 3HD1 LEU 46 -1.601 4.645 0.359 319 HD21 LEU 46 1HD2 LEU 46 -0.721 1.249 0.277 320 HD22 LEU 46 2HD2 LEU 46 -2.226 2.124 0.558 321 HD23 LEU 46 3HD2 LEU 46 -0.712 2.736 1.227 322 H GLU 47 H GLU 47 -3.119 -0.327 -1.529 323 HA GLU 47 HA GLU 47 -4.517 -0.624 -4.074 324 HB2 GLU 47 1HB GLU 47 -3.508 -2.910 -2.390 325 HB3 GLU 47 2HB GLU 47 -4.854 -3.097 -3.506 326 HG2 GLU 47 1HG GLU 47 -3.126 -2.019 -5.194 327 HG3 GLU 47 2HG GLU 47 -1.969 -2.709 -4.057 328 H LEU 48 H LEU 48 -6.715 -0.789 -3.883 329 HA LEU 48 HA LEU 48 -7.932 -1.284 -1.299 330 HB2 LEU 48 1HB LEU 48 -7.503 1.060 -1.100 331 HB3 LEU 48 2HB LEU 48 -8.144 1.366 -2.713 332 HG LEU 48 HG LEU 48 -10.348 0.374 -1.615 333 HD11 LEU 48 1HD1 LEU 48 -10.343 1.532 0.745 334 HD12 LEU 48 2HD1 LEU 48 -8.617 1.177 0.668 335 HD13 LEU 48 3HD1 LEU 48 -9.793 -0.132 0.544 336 HD21 LEU 48 1HD2 LEU 48 -10.427 2.986 -0.702 337 HD22 LEU 48 2HD2 LEU 48 -10.866 2.424 -2.314 338 HD23 LEU 48 3HD2 LEU 48 -9.236 3.023 -2.002 339 H ASP 49 H ASP 49 -10.049 -1.958 -1.437 340 HA ASP 49 HA ASP 49 -10.949 -2.682 -4.104 341 HB2 ASP 49 1HB ASP 49 -10.970 -4.327 -2.221 342 HB3 ASP 49 2HB ASP 49 -12.203 -3.347 -1.433 343 H ASP 50 H ASP 50 -13.343 -2.495 -4.558 344 HA ASP 50 HA ASP 50 -14.116 0.271 -4.164 345 HB2 ASP 50 1HB ASP 50 -14.268 -1.147 -6.357 346 HB3 ASP 50 2HB ASP 50 -15.777 -1.728 -5.659 347 H GLY 51 H GLY 51 -14.190 -1.387 -1.832 348 HA2 GLY 51 1HA GLY 51 -15.561 -1.880 -0.058 349 HA3 GLY 51 2HA GLY 51 -16.613 -0.629 -0.703 350 H ASN 52 H ASN 52 -15.875 -3.419 -2.627 351 HA ASN 52 HA ASN 52 -18.658 -4.309 -2.304 352 HB2 ASN 52 1HB ASN 52 -16.736 -4.331 -4.587 353 HB3 ASN 52 2HB ASN 52 -17.941 -5.612 -4.505 354 HD21 ASN 52 1HD2 ASN 52 -17.699 -3.547 -6.480 355 HD22 ASN 52 2HD2 ASN 52 -19.164 -2.632 -6.434 356 H GLY 53 H GLY 53 -15.463 -5.140 -1.570 357 HA2 GLY 53 1HA GLY 53 -14.709 -6.947 -0.326 358 HA3 GLY 53 2HA GLY 53 -16.307 -7.666 -0.459 359 H GLY 54 H GLY 54 -14.348 -6.606 -3.184 360 HA2 GLY 54 1HA GLY 54 -14.146 -9.438 -4.003 361 HA3 GLY 54 2HA GLY 54 -14.349 -8.105 -5.130 362 H GLN 55 H GLN 55 -12.573 -7.574 -6.192 363 HA GLN 55 HA GLN 55 -9.975 -8.322 -5.075 364 HB2 GLN 55 1HB GLN 55 -10.939 -7.654 -7.840 365 HB3 GLN 55 2HB GLN 55 -9.223 -7.624 -7.457 366 HG2 GLN 55 1HG GLN 55 -9.711 -10.020 -6.516 367 HG3 GLN 55 2HG GLN 55 -11.095 -9.930 -7.603 368 HE21 GLN 55 1HE2 GLN 55 -9.769 -11.831 -8.430 369 HE22 GLN 55 2HE2 GLN 55 -8.635 -11.478 -9.683 370 H PHE 56 H PHE 56 -8.185 -6.841 -5.153 371 HA PHE 56 HA PHE 56 -9.018 -4.122 -4.521 372 HB2 PHE 56 1HB PHE 56 -6.327 -5.477 -4.243 373 HB3 PHE 56 2HB PHE 56 -6.707 -3.850 -3.687 374 HD1 PHE 56 1HD PHE 56 -7.797 -7.386 -3.287 375 HD2 PHE 56 2HD PHE 56 -7.444 -3.528 -1.523 376 HE1 PHE 56 1HE PHE 56 -8.552 -8.305 -1.133 377 HE2 PHE 56 2HE PHE 56 -8.197 -4.442 0.634 378 HZ PHE 56 HZ PHE 56 -8.752 -6.833 0.831 379 H ARG 57 H ARG 57 -7.608 -2.311 -5.290 380 HA ARG 57 HA ARG 57 -6.402 -2.760 -7.911 381 HB2 ARG 57 1HB ARG 57 -7.725 -1.194 -9.061 382 HB3 ARG 57 2HB ARG 57 -8.877 -2.150 -8.138 383 HG2 ARG 57 1HG ARG 57 -8.671 -0.293 -6.367 384 HG3 ARG 57 2HG ARG 57 -7.964 0.659 -7.674 385 HD2 ARG 57 1HD ARG 57 -10.545 -0.769 -8.125 386 HD3 ARG 57 2HD ARG 57 -10.539 0.738 -7.211 387 HE ARG 57 HE ARG 57 -9.122 1.316 -9.464 388 HH11 ARG 57 2HH1 ARG 57 -12.289 0.017 -8.830 389 HH12 ARG 57 1HH1 ARG 57 -12.990 0.673 -10.272 390 HH21 ARG 57 2HH2 ARG 57 -10.033 2.185 -11.366 391 HH22 ARG 57 1HH2 ARG 57 -11.706 1.905 -11.715 392 H GLU 58 H GLU 58 -4.812 -1.295 -8.452 393 HA GLU 58 HA GLU 58 -3.412 -0.041 -6.406 394 HB2 GLU 58 1HB GLU 58 -3.357 0.295 -9.395 395 HB3 GLU 58 2HB GLU 58 -2.306 1.242 -8.351 396 HG2 GLU 58 1HG GLU 58 -1.199 -0.697 -7.558 397 HG3 GLU 58 2HG GLU 58 -2.393 -1.760 -8.301 398 H VAL 59 H VAL 59 -3.719 1.782 -5.319 399 HA VAL 59 HA VAL 59 -5.608 3.759 -6.402 400 HB VAL 59 HB VAL 59 -5.788 4.578 -4.055 401 HG11 VAL 59 1HG1 VAL 59 -7.175 2.658 -5.227 402 HG12 VAL 59 2HG1 VAL 59 -6.454 1.683 -3.944 403 HG13 VAL 59 3HG1 VAL 59 -7.440 3.089 -3.538 404 HG21 VAL 59 1HG2 VAL 59 -4.677 2.094 -2.949 405 HG22 VAL 59 2HG2 VAL 59 -3.484 3.212 -3.611 406 HG23 VAL 59 3HG2 VAL 59 -4.586 3.748 -2.343 407 H TYR 60 H TYR 60 -2.342 3.263 -5.389 408 HA TYR 60 HA TYR 60 -1.540 5.799 -6.446 409 HB2 TYR 60 1HB TYR 60 -1.988 6.855 -4.454 410 HB3 TYR 60 2HB TYR 60 -1.739 5.398 -3.499 411 HD1 TYR 60 2HD TYR 60 -0.096 8.254 -5.113 412 HD2 TYR 60 1HD TYR 60 0.461 4.792 -2.703 413 HE1 TYR 60 2HE TYR 60 2.157 9.040 -4.515 414 HE2 TYR 60 1HE TYR 60 2.715 5.569 -2.098 415 HH TYR 60 HH TYR 60 3.960 8.681 -3.263 416 H VAL 61 H VAL 61 0.803 6.062 -6.453 417 HA VAL 61 HA VAL 61 2.468 3.873 -5.611 418 HB VAL 61 HB VAL 61 2.070 4.336 -8.570 419 HG11 VAL 61 1HG1 VAL 61 3.889 3.036 -9.015 420 HG12 VAL 61 2HG1 VAL 61 4.428 3.765 -7.501 421 HG13 VAL 61 3HG1 VAL 61 3.754 2.135 -7.505 422 HG21 VAL 61 1HG2 VAL 61 0.274 3.013 -7.735 423 HG22 VAL 61 2HG2 VAL 61 1.404 1.915 -8.528 424 HG23 VAL 61 3HG2 VAL 61 1.369 2.025 -6.768 425 H GLY 62 H GLY 62 4.327 4.751 -4.995 426 HA2 GLY 62 1HA GLY 62 5.884 6.481 -6.581 427 HA3 GLY 62 2HA GLY 62 4.995 7.441 -5.407 428 H LYS 63 H LYS 63 7.083 8.043 -4.560 429 HA LYS 63 HA LYS 63 8.275 5.938 -2.876 430 HB2 LYS 63 1HB LYS 63 10.328 7.471 -2.922 431 HB3 LYS 63 2HB LYS 63 9.963 6.564 -4.384 432 HG2 LYS 63 1HG LYS 63 8.874 9.318 -4.110 433 HG3 LYS 63 2HG LYS 63 10.588 9.109 -4.478 434 HD2 LYS 63 1HD LYS 63 8.498 7.643 -6.047 435 HD3 LYS 63 2HD LYS 63 8.898 9.320 -6.429 436 HE2 LYS 63 1HE LYS 63 11.147 8.764 -6.919 437 HE3 LYS 63 2HE LYS 63 10.979 7.157 -6.215 438 HZ1 LYS 63 1HZ LYS 63 10.777 6.658 -8.409 439 HZ2 LYS 63 2HZ LYS 63 10.091 8.148 -8.821 440 HZ3 LYS 63 3HZ LYS 63 9.148 6.962 -8.068 441 H GLU 64 H GLU 64 6.135 7.034 -1.780 442 HA GLU 64 HA GLU 64 7.185 9.050 0.097 443 HB2 GLU 64 1HB GLU 64 4.373 8.655 -0.929 444 HB3 GLU 64 2HB GLU 64 4.771 9.694 0.432 445 HG2 GLU 64 1HG GLU 64 6.184 10.104 -2.153 446 HG3 GLU 64 2HG GLU 64 4.523 10.667 -1.981 447 H THR 65 H THR 65 5.870 9.012 2.222 448 HA THR 65 HA THR 65 5.551 6.202 3.057 449 HB THR 65 HB THR 65 6.238 6.961 5.339 450 HG1 THR 65 1HG THR 65 5.949 9.147 5.296 451 HG21 THR 65 1HG2 THR 65 8.505 6.711 4.923 452 HG22 THR 65 2HG2 THR 65 8.442 7.658 3.437 453 HG23 THR 65 3HG2 THR 65 7.788 6.021 3.468 454 H MET 66 H MET 66 4.023 9.181 2.686 455 HA MET 66 HA MET 66 1.779 8.264 4.345 456 HB2 MET 66 1HB MET 66 2.796 9.995 5.646 457 HB3 MET 66 2HB MET 66 2.948 11.044 4.243 458 HG2 MET 66 1HG MET 66 0.334 10.819 4.194 459 HG3 MET 66 2HG MET 66 0.559 10.414 5.894 460 HE1 MET 66 1HE MET 66 -0.530 11.893 6.965 461 HE2 MET 66 2HE MET 66 0.126 13.453 7.464 462 HE3 MET 66 3HE MET 66 -1.046 13.368 6.147 463 H CYS 67 H CYS 67 -0.003 8.050 3.174 464 HA CYS 67 HA CYS 67 -0.566 9.947 1.028 465 HB2 CYS 67 1HB CYS 67 -0.070 7.031 0.679 466 HB3 CYS 67 2HB CYS 67 -1.360 7.758 -0.271 467 HG CYS 67 HG CYS 67 0.371 8.165 -2.150 468 H THR 68 H THR 68 -2.714 10.349 0.723 469 HA THR 68 HA THR 68 -4.607 8.777 2.345 470 HB THR 68 HB THR 68 -4.842 11.751 1.882 471 HG1 THR 68 1HG THR 68 -3.442 10.296 3.814 472 HG21 THR 68 1HG2 THR 68 -6.507 9.698 3.106 473 HG22 THR 68 2HG2 THR 68 -6.918 11.342 2.616 474 HG23 THR 68 3HG2 THR 68 -6.183 11.049 4.192 475 H VAL 69 H VAL 69 -6.618 8.385 1.471 476 HA VAL 69 HA VAL 69 -6.869 8.971 -1.396 477 HB VAL 69 HB VAL 69 -6.934 6.608 -0.878 478 HG11 VAL 69 1HG1 VAL 69 -7.613 6.269 1.272 479 HG12 VAL 69 2HG1 VAL 69 -8.885 7.489 1.182 480 HG13 VAL 69 3HG1 VAL 69 -9.124 5.908 0.438 481 HG21 VAL 69 1HG2 VAL 69 -9.756 6.742 -1.395 482 HG22 VAL 69 2HG2 VAL 69 -8.914 8.011 -2.285 483 HG23 VAL 69 3HG2 VAL 69 -8.438 6.326 -2.491 484 H ASP 70 H ASP 70 -8.636 9.987 -2.238 485 HA ASP 70 HA ASP 70 -10.628 10.989 -0.309 486 HB2 ASP 70 1HB ASP 70 -9.606 12.968 -0.845 487 HB3 ASP 70 2HB ASP 70 -9.073 12.390 -2.421 488 H GLY 71 H GLY 71 -12.773 11.068 -0.955 489 HA2 GLY 71 1HA GLY 71 -14.610 10.731 -2.348 490 HA3 GLY 71 2HA GLY 71 -13.511 10.298 -3.649 491 H LEU 72 H LEU 72 -14.556 9.054 -0.474 492 HA LEU 72 HA LEU 72 -14.487 6.346 -1.630 493 HB2 LEU 72 1HB LEU 72 -14.203 7.264 1.225 494 HB3 LEU 72 2HB LEU 72 -14.353 5.576 0.742 495 HG LEU 72 HG LEU 72 -12.120 7.356 -0.212 496 HD11 LEU 72 1HD1 LEU 72 -12.036 5.437 2.108 497 HD12 LEU 72 2HD1 LEU 72 -12.154 7.189 2.270 498 HD13 LEU 72 3HD1 LEU 72 -10.730 6.467 1.520 499 HD21 LEU 72 1HD2 LEU 72 -12.982 4.870 -1.051 500 HD22 LEU 72 2HD2 LEU 72 -11.655 4.501 0.051 501 HD23 LEU 72 3HD2 LEU 72 -11.387 5.570 -1.327 502 H HIS 73 H HIS 73 -16.237 4.992 -1.392 503 HA HIS 73 HA HIS 73 -18.787 6.199 -1.207 504 HB2 HIS 73 1HB HIS 73 -17.962 3.291 -1.184 505 HB3 HIS 73 2HB HIS 73 -19.633 3.839 -1.285 506 HD1 HIS 73 1HD HIS 73 -20.099 2.985 -3.622 507 HD2 HIS 73 2HD HIS 73 -16.776 5.470 -3.430 508 HE1 HIS 73 1HE HIS 73 -19.478 3.462 -6.012 509 HE2 HIS 73 2HE HIS 73 -17.413 4.898 -5.871 510 H PHE 74 H PHE 74 -20.496 5.665 0.308 511 HA PHE 74 HA PHE 74 -19.446 5.373 3.037 512 HB2 PHE 74 1HB PHE 74 -21.884 6.298 3.519 513 HB3 PHE 74 2HB PHE 74 -20.563 7.380 3.089 514 HD1 PHE 74 2HD PHE 74 -23.594 5.705 1.855 515 HD2 PHE 74 1HD PHE 74 -20.562 8.578 1.035 516 HE1 PHE 74 2HE PHE 74 -24.904 6.538 -0.054 517 HE2 PHE 74 1HE PHE 74 -21.869 9.416 -0.875 518 HZ PHE 74 HZ PHE 74 -24.042 8.395 -1.422 519 H ASN 75 H ASN 75 -21.242 4.487 4.582 520 HA ASN 75 HA ASN 75 -22.105 2.483 5.301 521 HB2 ASN 75 1HB ASN 75 -23.808 3.193 2.911 522 HB3 ASN 75 2HB ASN 75 -24.209 1.878 4.011 523 HD21 ASN 75 1HD2 ASN 75 -24.152 2.562 6.384 524 HD22 ASN 75 2HD2 ASN 75 -24.927 4.061 6.752 525 H SER 76 H SER 76 -19.825 1.826 4.126 526 HA SER 76 HA SER 76 -20.339 -0.796 3.105 527 HB2 SER 76 1HB SER 76 -19.040 1.215 1.250 528 HB3 SER 76 2HB SER 76 -19.169 -0.519 0.951 529 HG SER 76 HG SER 76 -21.547 -0.069 1.279 530 H THR 77 H THR 77 -18.671 -2.140 3.534 531 HA THR 77 HA THR 77 -16.465 -1.096 5.055 532 HB THR 77 HB THR 77 -17.043 -3.929 4.166 533 HG1 THR 77 1HG THR 77 -17.941 -4.155 6.194 534 HG21 THR 77 1HG2 THR 77 -15.005 -2.786 6.068 535 HG22 THR 77 2HG2 THR 77 -14.723 -3.802 4.655 536 HG23 THR 77 3HG2 THR 77 -15.492 -4.480 6.089 537 H TYR 78 H TYR 78 -14.382 -0.853 4.449 538 HA TYR 78 HA TYR 78 -13.691 -1.581 1.678 539 HB2 TYR 78 1HB TYR 78 -13.212 0.904 3.247 540 HB3 TYR 78 2HB TYR 78 -11.956 0.396 2.123 541 HD1 TYR 78 1HD TYR 78 -15.578 1.207 2.335 542 HD2 TYR 78 2HD TYR 78 -12.154 0.853 -0.166 543 HE1 TYR 78 1HE TYR 78 -16.833 2.230 0.483 544 HE2 TYR 78 2HE TYR 78 -13.399 1.876 -2.025 545 HH TYR 78 HH TYR 78 -15.937 2.068 -2.654 546 H ASN 79 H ASN 79 -11.275 -1.763 1.343 547 HA ASN 79 HA ASN 79 -9.775 -2.621 3.679 548 HB2 ASN 79 1HB ASN 79 -10.312 -4.503 1.370 549 HB3 ASN 79 2HB ASN 79 -9.239 -4.823 2.729 550 HD21 ASN 79 1HD2 ASN 79 -12.534 -4.525 1.683 551 HD22 ASN 79 2HD2 ASN 79 -13.256 -5.236 3.082 552 H ALA 80 H ALA 80 -7.721 -2.005 3.499 553 HA ALA 80 HA ALA 80 -6.625 -1.546 0.802 554 HB1 ALA 80 1HB ALA 80 -5.240 0.269 2.135 555 HB2 ALA 80 2HB ALA 80 -6.828 0.628 1.457 556 HB3 ALA 80 3HB ALA 80 -6.667 0.245 3.171 557 H ARG 81 H ARG 81 -4.241 -1.576 0.717 558 HA ARG 81 HA ARG 81 -2.799 -2.813 2.874 559 HB2 ARG 81 1HB ARG 81 -2.116 -4.711 1.142 560 HB3 ARG 81 2HB ARG 81 -3.483 -4.896 2.232 561 HG2 ARG 81 1HG ARG 81 -5.040 -4.524 0.545 562 HG3 ARG 81 2HG ARG 81 -3.848 -3.767 -0.515 563 HD2 ARG 81 1HD ARG 81 -4.589 -6.132 -1.102 564 HD3 ARG 81 2HD ARG 81 -2.853 -5.824 -1.046 565 HE ARG 81 HE ARG 81 -2.686 -7.214 0.785 566 HH11 ARG 81 2HH1 ARG 81 -6.034 -6.588 0.065 567 HH12 ARG 81 1HH1 ARG 81 -6.629 -7.807 1.143 568 HH21 ARG 81 2HH2 ARG 81 -3.456 -8.822 2.207 569 HH22 ARG 81 1HH2 ARG 81 -5.162 -9.076 2.362 570 H VAL 82 H VAL 82 -0.947 -1.738 2.842 571 HA VAL 82 HA VAL 82 0.136 -0.814 0.277 572 HB VAL 82 HB VAL 82 -0.227 0.809 2.187 573 HG11 VAL 82 1HG1 VAL 82 0.759 -0.926 3.844 574 HG12 VAL 82 2HG1 VAL 82 2.315 -0.261 3.344 575 HG13 VAL 82 3HG1 VAL 82 1.103 0.787 4.082 576 HG21 VAL 82 1HG2 VAL 82 1.460 2.135 1.422 577 HG22 VAL 82 2HG2 VAL 82 2.668 0.854 1.532 578 HG23 VAL 82 3HG2 VAL 82 1.523 0.874 0.190 579 H LYS 83 H LYS 83 1.991 -1.576 -0.543 580 HA LYS 83 HA LYS 83 3.664 -3.300 1.160 581 HB2 LYS 83 1HB LYS 83 4.046 -4.765 -0.785 582 HB3 LYS 83 2HB LYS 83 2.354 -4.729 -0.307 583 HG2 LYS 83 1HG LYS 83 1.699 -3.608 -2.192 584 HG3 LYS 83 2HG LYS 83 3.280 -2.860 -2.429 585 HD2 LYS 83 1HD LYS 83 4.205 -4.890 -3.259 586 HD3 LYS 83 2HD LYS 83 2.782 -5.812 -2.769 587 HE2 LYS 83 1HE LYS 83 1.471 -4.923 -4.479 588 HE3 LYS 83 2HE LYS 83 2.552 -3.552 -4.724 589 HZ1 LYS 83 1HZ LYS 83 3.980 -4.781 -5.976 590 HZ2 LYS 83 2HZ LYS 83 2.540 -5.581 -6.358 591 HZ3 LYS 83 3HZ LYS 83 3.597 -6.243 -5.216 592 H ALA 84 H ALA 84 5.886 -3.596 0.282 593 HA ALA 84 HA ALA 84 6.821 -1.076 -0.914 594 HB1 ALA 84 1HB ALA 84 9.067 -1.882 0.063 595 HB2 ALA 84 2HB ALA 84 7.842 -1.254 1.165 596 HB3 ALA 84 3HB ALA 84 8.079 -2.994 1.011 597 H PHE 85 H PHE 85 8.468 -1.121 -2.504 598 HA PHE 85 HA PHE 85 9.279 -3.638 -3.660 599 HB2 PHE 85 1HB PHE 85 8.197 -3.493 -5.719 600 HB3 PHE 85 2HB PHE 85 6.942 -2.983 -4.594 601 HD1 PHE 85 1HD PHE 85 9.239 -1.920 -7.227 602 HD2 PHE 85 2HD PHE 85 6.204 -0.683 -4.511 603 HE1 PHE 85 1HE PHE 85 8.978 0.181 -8.481 604 HE2 PHE 85 2HE PHE 85 5.937 1.419 -5.761 605 HZ PHE 85 HZ PHE 85 7.324 1.853 -7.750 606 H ASN 86 H ASN 86 11.184 -3.472 -4.726 607 HA ASN 86 HA ASN 86 12.120 -0.881 -5.658 608 HB2 ASN 86 1HB ASN 86 14.203 -0.979 -4.381 609 HB3 ASN 86 2HB ASN 86 12.818 -0.945 -3.294 610 HD21 ASN 86 1HD2 ASN 86 14.029 -1.849 -1.628 611 HD22 ASN 86 2HD2 ASN 86 14.461 -3.522 -1.616 612 H LYS 87 H LYS 87 14.606 -1.303 -6.366 613 HA LYS 87 HA LYS 87 14.678 -2.629 -8.683 614 HB2 LYS 87 1HB LYS 87 16.810 -2.247 -6.615 615 HB3 LYS 87 2HB LYS 87 17.167 -3.189 -8.057 616 HG2 LYS 87 1HG LYS 87 16.335 -1.195 -9.387 617 HG3 LYS 87 2HG LYS 87 16.392 -0.295 -7.870 618 HD2 LYS 87 1HD LYS 87 18.457 0.130 -8.908 619 HD3 LYS 87 2HD LYS 87 18.808 -1.090 -7.682 620 HE2 LYS 87 1HE LYS 87 19.943 -1.744 -9.665 621 HE3 LYS 87 2HE LYS 87 18.562 -2.824 -9.480 622 HZ1 LYS 87 1HZ LYS 87 19.113 -1.661 -11.758 623 HZ2 LYS 87 2HZ LYS 87 18.194 -0.410 -11.087 624 HZ3 LYS 87 3HZ LYS 87 17.516 -1.948 -11.278 625 H THR 88 H THR 88 15.362 -4.158 -5.549 626 HA THR 88 HA THR 88 16.026 -6.695 -6.324 627 HB THR 88 HB THR 88 14.145 -6.143 -4.028 628 HG1 THR 88 1HG THR 88 15.804 -5.330 -2.935 629 HG21 THR 88 1HG2 THR 88 14.365 -8.417 -4.023 630 HG22 THR 88 2HG2 THR 88 15.814 -7.999 -3.109 631 HG23 THR 88 3HG2 THR 88 15.933 -8.377 -4.827 632 H GLY 89 H GLY 89 12.692 -5.776 -5.420 633 HA2 GLY 89 1HA GLY 89 11.459 -6.866 -7.693 634 HA3 GLY 89 2HA GLY 89 11.504 -8.107 -6.450 635 H VAL 90 H VAL 90 9.971 -8.107 -4.916 636 HA VAL 90 HA VAL 90 8.500 -5.676 -4.302 637 HB VAL 90 HB VAL 90 6.341 -7.216 -4.547 638 HG11 VAL 90 1HG1 VAL 90 6.137 -5.218 -5.611 639 HG12 VAL 90 2HG1 VAL 90 7.702 -5.358 -6.414 640 HG13 VAL 90 3HG1 VAL 90 6.312 -6.254 -7.027 641 HG21 VAL 90 1HG2 VAL 90 7.481 -9.168 -5.382 642 HG22 VAL 90 2HG2 VAL 90 6.475 -8.497 -6.666 643 HG23 VAL 90 3HG2 VAL 90 8.218 -8.229 -6.680 644 H SER 91 H SER 91 6.813 -6.142 -2.566 645 HA SER 91 HA SER 91 7.723 -8.311 -0.796 646 HB2 SER 91 1HB SER 91 7.466 -5.392 -0.230 647 HB3 SER 91 2HB SER 91 7.049 -6.526 1.055 648 HG SER 91 HG SER 91 9.444 -5.720 0.378 649 HA PRO 92 HA PRO 92 3.513 -9.386 -0.200 650 HB2 PRO 92 1HB PRO 92 3.457 -10.084 2.422 651 HB3 PRO 92 2HB PRO 92 4.240 -11.071 1.182 652 HG2 PRO 92 1HG PRO 92 5.461 -9.138 3.114 653 HG3 PRO 92 2HG PRO 92 6.030 -10.747 2.630 654 HD2 PRO 92 1HD PRO 92 7.073 -8.466 1.610 655 HD3 PRO 92 2HD PRO 92 6.959 -9.967 0.670 656 H TYR 93 H TYR 93 1.580 -8.476 0.315 657 HA TYR 93 HA TYR 93 1.438 -5.812 1.120 658 HB2 TYR 93 1HB TYR 93 -0.630 -7.994 0.953 659 HB3 TYR 93 2HB TYR 93 -1.050 -6.369 1.485 660 HD1 TYR 93 1HD TYR 93 -0.573 -4.433 -0.098 661 HD2 TYR 93 2HD TYR 93 -0.471 -8.504 -1.332 662 HE1 TYR 93 1HE TYR 93 -0.811 -3.723 -2.441 663 HE2 TYR 93 2HE TYR 93 -0.707 -7.805 -3.678 664 HH TYR 93 HH TYR 93 -0.616 -6.037 -5.091 665 H SER 94 H SER 94 0.146 -4.991 3.004 666 HA SER 94 HA SER 94 1.164 -6.243 5.439 667 HB2 SER 94 1HB SER 94 1.686 -4.011 5.609 668 HB3 SER 94 2HB SER 94 0.274 -3.500 4.684 669 HG SER 94 HG SER 94 -0.887 -3.448 6.461 670 H LYS 95 H LYS 95 -0.232 -6.350 7.351 671 HA LYS 95 HA LYS 95 -2.409 -7.935 7.110 672 HB2 LYS 95 1HB LYS 95 -1.211 -7.135 9.236 673 HB3 LYS 95 2HB LYS 95 -2.336 -5.784 9.218 674 HG2 LYS 95 1HG LYS 95 -3.246 -7.389 10.681 675 HG3 LYS 95 2HG LYS 95 -4.197 -7.483 9.196 676 HD2 LYS 95 1HD LYS 95 -2.844 -9.414 8.481 677 HD3 LYS 95 2HD LYS 95 -1.953 -9.334 10.003 678 HE2 LYS 95 1HE LYS 95 -4.919 -9.490 10.118 679 HE3 LYS 95 2HE LYS 95 -4.030 -10.946 9.675 680 HZ1 LYS 95 1HZ LYS 95 -2.775 -9.779 11.890 681 HZ2 LYS 95 2HZ LYS 95 -3.566 -11.271 11.799 682 HZ3 LYS 95 3HZ LYS 95 -4.430 -9.881 12.226 683 H THR 96 H THR 96 -4.170 -7.687 5.910 684 HA THR 96 HA THR 96 -5.218 -5.563 4.675 685 HB THR 96 HB THR 96 -6.963 -7.573 6.110 686 HG1 THR 96 1HG THR 96 -6.103 -7.818 3.432 687 HG21 THR 96 1HG2 THR 96 -8.582 -6.294 5.216 688 HG22 THR 96 2HG2 THR 96 -8.109 -7.032 3.685 689 HG23 THR 96 3HG2 THR 96 -7.459 -5.458 4.144 690 H LEU 97 H LEU 97 -6.005 -3.631 5.191 691 HA LEU 97 HA LEU 97 -6.846 -3.165 7.972 692 HB2 LEU 97 1HB LEU 97 -4.964 -1.821 7.433 693 HB3 LEU 97 2HB LEU 97 -5.674 -1.329 5.898 694 HG LEU 97 HG LEU 97 -7.511 -0.288 7.498 695 HD11 LEU 97 1HD1 LEU 97 -6.527 0.599 9.534 696 HD12 LEU 97 2HD1 LEU 97 -5.022 -0.257 9.200 697 HD13 LEU 97 3HD1 LEU 97 -6.493 -1.165 9.547 698 HD21 LEU 97 1HD2 LEU 97 -4.826 1.017 7.079 699 HD22 LEU 97 2HD2 LEU 97 -6.378 1.823 7.305 700 HD23 LEU 97 3HD2 LEU 97 -6.078 0.882 5.844 701 H VAL 98 H VAL 98 -8.940 -2.881 8.309 702 HA VAL 98 HA VAL 98 -10.713 -2.356 6.061 703 HB VAL 98 HB VAL 98 -11.512 -2.813 8.933 704 HG11 VAL 98 1HG1 VAL 98 -13.459 -3.873 7.376 705 HG12 VAL 98 2HG1 VAL 98 -13.480 -2.228 8.013 706 HG13 VAL 98 3HG1 VAL 98 -12.918 -2.531 6.368 707 HG21 VAL 98 1HG2 VAL 98 -10.958 -4.958 8.789 708 HG22 VAL 98 2HG2 VAL 98 -11.871 -5.128 7.289 709 HG23 VAL 98 3HG2 VAL 98 -10.180 -4.628 7.241 710 H LEU 99 H LEU 99 -11.756 -0.489 5.693 711 HA LEU 99 HA LEU 99 -11.387 1.681 7.650 712 HB2 LEU 99 1HB LEU 99 -12.061 2.256 4.815 713 HB3 LEU 99 2HB LEU 99 -11.101 3.193 5.959 714 HG LEU 99 HG LEU 99 -10.134 0.643 4.677 715 HD11 LEU 99 1HD1 LEU 99 -8.959 3.159 3.776 716 HD12 LEU 99 2HD1 LEU 99 -10.646 2.952 3.307 717 HD13 LEU 99 3HD1 LEU 99 -9.450 1.738 2.854 718 HD21 LEU 99 1HD2 LEU 99 -7.941 2.041 5.300 719 HD22 LEU 99 2HD2 LEU 99 -8.704 0.904 6.412 720 HD23 LEU 99 3HD2 LEU 99 -9.024 2.633 6.561 721 H GLN 100 H GLN 100 -13.332 0.850 8.713 722 HA GLN 100 HA GLN 100 -15.844 0.665 7.536 723 HB2 GLN 100 1HB GLN 100 -14.874 1.189 10.310 724 HB3 GLN 100 2HB GLN 100 -16.583 1.415 9.963 725 HG2 GLN 100 1HG GLN 100 -14.959 -1.097 9.789 726 HG3 GLN 100 2HG GLN 100 -16.392 -0.774 10.764 727 HE21 GLN 100 1HE2 GLN 100 -15.189 -1.503 7.582 728 HE22 GLN 100 2HE2 GLN 100 -16.706 -1.961 6.894 729 H THR 101 H THR 101 -16.938 2.146 6.447 730 HA THR 101 HA THR 101 -16.423 4.973 6.878 731 HB THR 101 HB THR 101 -18.018 5.269 4.943 732 HG1 THR 101 1HG THR 101 -18.122 3.066 3.770 733 HG21 THR 101 1HG2 THR 101 -16.154 5.286 3.724 734 HG22 THR 101 2HG2 THR 101 -16.154 3.523 3.658 735 HG23 THR 101 3HG2 THR 101 -15.343 4.357 4.984 736 H SER 102 H SER 102 -18.128 6.514 7.211 737 HA SER 102 HA SER 102 -20.118 5.531 9.081 738 HB2 SER 102 1HB SER 102 -18.626 7.691 9.272 739 HB3 SER 102 2HB SER 102 -19.901 8.412 8.290 740 HG SER 102 HG SER 102 -19.990 7.453 10.911 741 H GLU 103 H GLU 103 -22.328 6.709 8.951 742 HA GLU 103 HA GLU 103 -23.676 5.782 6.685 743 HB2 GLU 103 1HB GLU 103 -25.628 6.797 7.583 744 HB3 GLU 103 2HB GLU 103 -24.667 6.266 8.956 745 HG2 GLU 103 1HG GLU 103 -23.742 8.711 8.866 746 HG3 GLU 103 2HG GLU 103 -25.244 9.023 7.998 747 H GLY 104 H GLY 104 -24.808 6.961 5.031 748 HA2 GLY 104 1HA GLY 104 -23.511 9.532 4.363 749 HA3 GLY 104 2HA GLY 104 -23.841 8.298 3.156 750 H SER 105 H SER 105 -26.420 7.549 3.975 751 HA SER 105 HA SER 105 -28.053 9.191 2.544 752 HB2 SER 105 1HB SER 105 -28.685 6.949 3.435 753 HB3 SER 105 2HB SER 105 -28.915 7.681 5.023 754 HG SER 105 HG SER 105 -30.243 8.981 3.009 755 H GLY 106 H GLY 106 -27.805 9.259 6.107 756 HA2 GLY 106 1HA GLY 106 -29.418 11.356 6.719 757 HA3 GLY 106 2HA GLY 106 -27.900 11.058 7.554 758 HA PRO 107 HA PRO 107 -27.873 14.918 4.631 759 HB2 PRO 107 1HB PRO 107 -29.157 16.804 6.102 760 HB3 PRO 107 2HB PRO 107 -29.978 15.796 4.905 761 HG2 PRO 107 1HG PRO 107 -29.861 15.490 7.881 762 HG3 PRO 107 2HG PRO 107 -31.247 15.303 6.790 763 HD2 PRO 107 1HD PRO 107 -29.867 13.188 7.767 764 HD3 PRO 107 2HD PRO 107 -30.627 13.174 6.162 765 H SER 108 H SER 108 -28.010 15.195 8.190 766 HA SER 108 HA SER 108 -26.019 17.141 8.443 767 HB2 SER 108 1HB SER 108 -25.855 16.376 10.807 768 HB3 SER 108 2HB SER 108 -27.520 16.628 10.283 769 HG SER 108 HG SER 108 -26.457 14.435 11.298 770 H SER 109 H SER 109 -24.207 16.729 7.229 771 HA SER 109 HA SER 109 -22.836 14.372 6.901 772 HB2 SER 109 1HB SER 109 -20.841 15.753 6.431 773 HB3 SER 109 2HB SER 109 -22.285 16.406 5.658 774 HG SER 109 HG SER 109 -20.852 17.917 6.854 775 H GLY 110 H GLY 110 -20.663 13.780 7.798 776 HA2 GLY 110 1HA GLY 110 -19.460 14.527 10.082 777 HA3 GLY 110 2HA GLY 110 -20.868 13.667 10.689 Start of MODEL 4 1 H1 GLY 1 H GLY 1 18.864 -12.520 -18.112 2 HA2 GLY 1 1HA GLY 1 17.135 -12.241 -16.629 3 HA3 GLY 1 2HA GLY 1 17.287 -13.961 -16.302 4 H SER 2 H SER 2 19.008 -14.596 -14.751 5 HA SER 2 HA SER 2 19.547 -12.493 -12.767 6 HB2 SER 2 1HB SER 2 18.970 -14.001 -10.950 7 HB3 SER 2 2HB SER 2 17.597 -13.867 -12.050 8 HG SER 2 HG SER 2 19.076 -16.049 -11.381 9 H SER 3 H SER 3 21.684 -12.285 -12.735 10 HA SER 3 HA SER 3 23.358 -14.679 -13.033 11 HB2 SER 3 1HB SER 3 23.878 -11.745 -13.469 12 HB3 SER 3 2HB SER 3 25.204 -12.897 -13.313 13 HG SER 3 HG SER 3 23.744 -12.365 -15.459 14 H GLY 4 H GLY 4 22.570 -12.058 -10.862 15 HA2 GLY 4 1HA GLY 4 23.996 -13.451 -8.726 16 HA3 GLY 4 2HA GLY 4 24.481 -11.795 -9.054 17 H SER 5 H SER 5 23.587 -12.415 -6.572 18 HA SER 5 HA SER 5 20.854 -11.314 -6.512 19 HB2 SER 5 1HB SER 5 22.244 -13.314 -4.765 20 HB3 SER 5 2HB SER 5 20.952 -12.322 -4.089 21 HG SER 5 HG SER 5 20.841 -14.318 -6.036 22 H SER 6 H SER 6 21.006 -9.189 -6.176 23 HA SER 6 HA SER 6 23.135 -8.064 -4.574 24 HB2 SER 6 1HB SER 6 22.383 -6.910 -6.614 25 HB3 SER 6 2HB SER 6 20.775 -6.721 -5.916 26 HG SER 6 HG SER 6 22.946 -5.783 -4.438 27 H GLY 7 H GLY 7 19.568 -7.891 -4.456 28 HA2 GLY 7 1HA GLY 7 19.590 -8.244 -1.592 29 HA3 GLY 7 2HA GLY 7 19.164 -6.616 -2.098 30 HA PRO 8 HA PRO 8 15.610 -9.864 -2.553 31 HB2 PRO 8 1HB PRO 8 14.621 -10.009 -0.029 32 HB3 PRO 8 2HB PRO 8 15.838 -11.131 -0.650 33 HG2 PRO 8 1HG PRO 8 16.197 -8.711 1.076 34 HG3 PRO 8 2HG PRO 8 16.959 -10.306 1.213 35 HD2 PRO 8 1HD PRO 8 18.223 -8.177 0.117 36 HD3 PRO 8 2HD PRO 8 18.515 -9.842 -0.424 37 H VAL 9 H VAL 9 13.255 -9.413 -1.977 38 HA VAL 9 HA VAL 9 12.562 -6.822 -2.708 39 HB VAL 9 HB VAL 9 10.262 -7.420 -1.796 40 HG11 VAL 9 1HG1 VAL 9 11.624 -9.274 -3.747 41 HG12 VAL 9 2HG1 VAL 9 9.877 -9.124 -3.549 42 HG13 VAL 9 3HG1 VAL 9 10.822 -7.749 -4.121 43 HG21 VAL 9 1HG2 VAL 9 10.178 -9.054 -0.287 44 HG22 VAL 9 2HG2 VAL 9 10.523 -10.184 -1.597 45 HG23 VAL 9 3HG2 VAL 9 11.841 -9.537 -0.621 46 HA PRO 10 HA PRO 10 12.773 -4.371 0.929 47 HB2 PRO 10 1HB PRO 10 10.715 -2.649 0.511 48 HB3 PRO 10 2HB PRO 10 12.229 -2.576 -0.399 49 HG2 PRO 10 1HG PRO 10 9.604 -3.784 -1.182 50 HG3 PRO 10 2HG PRO 10 10.714 -2.794 -2.149 51 HD2 PRO 10 1HD PRO 10 10.604 -5.491 -2.363 52 HD3 PRO 10 2HD PRO 10 12.105 -4.574 -2.604 53 H ALA 11 H ALA 11 12.234 -5.076 2.892 54 HA ALA 11 HA ALA 11 10.298 -6.707 3.737 55 HB1 ALA 11 1HB ALA 11 11.982 -4.788 4.994 56 HB2 ALA 11 2HB ALA 11 10.387 -4.716 5.744 57 HB3 ALA 11 3HB ALA 11 11.263 -6.245 5.679 58 H THR 12 H THR 12 8.148 -6.761 3.926 59 HA THR 12 HA THR 12 6.458 -4.938 2.730 60 HB THR 12 HB THR 12 5.852 -6.885 4.959 61 HG1 THR 12 1HG THR 12 5.110 -7.138 2.244 62 HG21 THR 12 1HG2 THR 12 3.850 -5.590 3.117 63 HG22 THR 12 2HG2 THR 12 4.197 -4.982 4.735 64 HG23 THR 12 3HG2 THR 12 3.536 -6.603 4.525 65 HA PRO 13 HA PRO 13 6.326 -1.527 5.537 66 HB2 PRO 13 1HB PRO 13 4.106 -0.322 4.542 67 HB3 PRO 13 2HB PRO 13 5.674 -0.272 3.726 68 HG2 PRO 13 1HG PRO 13 3.314 -2.034 3.188 69 HG3 PRO 13 2HG PRO 13 4.367 -1.191 2.037 70 HD2 PRO 13 1HD PRO 13 4.634 -3.827 2.596 71 HD3 PRO 13 2HD PRO 13 6.017 -2.795 2.180 72 H ILE 14 H ILE 14 5.263 -0.912 7.393 73 HA ILE 14 HA ILE 14 3.260 -2.770 8.380 74 HB ILE 14 HB ILE 14 4.404 -0.435 9.897 75 HG12 ILE 14 1HG1 ILE 14 5.910 -2.455 10.792 76 HG13 ILE 14 2HG1 ILE 14 5.661 -3.028 9.147 77 HG21 ILE 14 1HG2 ILE 14 4.066 -2.459 11.661 78 HG22 ILE 14 2HG2 ILE 14 2.854 -1.225 11.321 79 HG23 ILE 14 3HG2 ILE 14 2.764 -2.793 10.519 80 HD11 ILE 14 1HD1 ILE 14 7.700 -1.488 9.814 81 HD12 ILE 14 2HD1 ILE 14 6.918 -1.376 8.237 82 HD13 ILE 14 3HD1 ILE 14 6.517 -0.217 9.504 83 H LEU 15 H LEU 15 1.150 -2.371 8.442 84 HA LEU 15 HA LEU 15 0.178 0.246 7.629 85 HB2 LEU 15 1HB LEU 15 -0.973 -2.487 7.840 86 HB3 LEU 15 2HB LEU 15 -2.074 -1.113 7.934 87 HG LEU 15 HG LEU 15 -0.178 -1.590 5.638 88 HD11 LEU 15 1HD1 LEU 15 -1.602 -3.031 4.732 89 HD12 LEU 15 2HD1 LEU 15 -2.969 -1.959 5.032 90 HD13 LEU 15 3HD1 LEU 15 -2.442 -3.086 6.282 91 HD21 LEU 15 1HD2 LEU 15 -2.462 0.311 6.114 92 HD22 LEU 15 2HD2 LEU 15 -1.803 -0.023 4.512 93 HD23 LEU 15 3HD2 LEU 15 -0.779 0.697 5.755 94 H GLN 16 H GLN 16 0.584 1.506 9.458 95 HA GLN 16 HA GLN 16 -0.967 0.799 11.858 96 HB2 GLN 16 1HB GLN 16 0.606 2.697 12.826 97 HB3 GLN 16 2HB GLN 16 1.147 1.028 12.705 98 HG2 GLN 16 1HG GLN 16 2.603 1.471 11.016 99 HG3 GLN 16 2HG GLN 16 1.644 2.812 10.391 100 HE21 GLN 16 1HE2 GLN 16 4.358 1.947 12.132 101 HE22 GLN 16 2HE2 GLN 16 4.734 3.487 12.818 102 H LEU 17 H LEU 17 -2.852 1.657 10.690 103 HA LEU 17 HA LEU 17 -3.287 4.112 9.659 104 HB2 LEU 17 1HB LEU 17 -4.925 2.171 10.229 105 HB3 LEU 17 2HB LEU 17 -5.219 3.094 11.701 106 HG LEU 17 HG LEU 17 -6.914 3.504 9.968 107 HD11 LEU 17 1HD1 LEU 17 -5.720 5.318 11.596 108 HD12 LEU 17 2HD1 LEU 17 -7.152 5.636 10.618 109 HD13 LEU 17 3HD1 LEU 17 -5.558 6.103 10.025 110 HD21 LEU 17 1HD2 LEU 17 -6.382 4.631 7.926 111 HD22 LEU 17 2HD2 LEU 17 -5.369 3.191 8.036 112 HD23 LEU 17 3HD2 LEU 17 -4.686 4.779 8.388 113 H GLU 18 H GLU 18 -3.318 6.184 10.303 114 HA GLU 18 HA GLU 18 -2.965 6.720 13.180 115 HB2 GLU 18 1HB GLU 18 -1.022 7.188 11.516 116 HB3 GLU 18 2HB GLU 18 -1.986 8.577 11.034 117 HG2 GLU 18 1HG GLU 18 -1.164 8.045 13.875 118 HG3 GLU 18 2HG GLU 18 -0.219 9.023 12.753 119 H GLU 19 H GLU 19 -4.415 7.809 10.160 120 HA GLU 19 HA GLU 19 -5.882 9.927 11.497 121 HB2 GLU 19 1HB GLU 19 -5.011 10.326 9.247 122 HB3 GLU 19 2HB GLU 19 -5.951 8.975 8.629 123 HG2 GLU 19 1HG GLU 19 -6.865 11.308 8.236 124 HG3 GLU 19 2HG GLU 19 -7.974 10.106 8.893 125 H CYS 20 H CYS 20 -6.984 8.405 12.951 126 HA CYS 20 HA CYS 20 -8.650 6.349 12.304 127 HB2 CYS 20 1HB CYS 20 -9.143 8.528 14.343 128 HB3 CYS 20 2HB CYS 20 -10.022 7.005 14.280 129 HG CYS 20 HG CYS 20 -7.648 7.480 16.175 130 H CYS 21 H CYS 21 -9.668 9.763 12.496 131 HA CYS 21 HA CYS 21 -11.267 9.614 10.165 132 HB2 CYS 21 1HB CYS 21 -13.489 9.823 11.211 133 HB3 CYS 21 2HB CYS 21 -12.737 8.276 11.581 134 HG CYS 21 HG CYS 21 -13.018 8.468 14.118 135 H THR 22 H THR 22 -10.901 11.585 9.411 136 HA THR 22 HA THR 22 -11.230 13.870 11.243 137 HB THR 22 HB THR 22 -8.864 13.652 10.795 138 HG1 THR 22 1HG THR 22 -10.091 15.746 9.298 139 HG21 THR 22 1HG2 THR 22 -9.302 14.048 7.861 140 HG22 THR 22 2HG2 THR 22 -9.364 12.424 8.547 141 HG23 THR 22 3HG2 THR 22 -7.899 13.393 8.706 142 H HIS 23 H HIS 23 -11.174 12.895 7.820 143 HA HIS 23 HA HIS 23 -12.882 15.155 7.130 144 HB2 HIS 23 1HB HIS 23 -10.828 14.187 5.774 145 HB3 HIS 23 2HB HIS 23 -12.050 13.094 5.132 146 HD1 HIS 23 1HD HIS 23 -13.608 14.005 3.372 147 HD2 HIS 23 2HD HIS 23 -11.294 16.957 5.159 148 HE1 HIS 23 1HE HIS 23 -13.998 16.082 2.009 149 HE2 HIS 23 2HE HIS 23 -12.522 17.832 3.058 150 H ASN 24 H ASN 24 -14.529 14.420 5.252 151 HA ASN 24 HA ASN 24 -16.607 13.068 6.565 152 HB2 ASN 24 1HB ASN 24 -16.297 13.552 3.594 153 HB3 ASN 24 2HB ASN 24 -17.801 13.188 4.436 154 HD21 ASN 24 1HD2 ASN 24 -17.265 15.468 2.820 155 HD22 ASN 24 2HD2 ASN 24 -17.405 16.862 3.831 156 H ASN 25 H ASN 25 -15.114 11.998 3.513 157 HA ASN 25 HA ASN 25 -15.198 9.239 4.535 158 HB2 ASN 25 1HB ASN 25 -15.899 10.130 1.729 159 HB3 ASN 25 2HB ASN 25 -15.855 8.464 2.297 160 HD21 ASN 25 1HD2 ASN 25 -17.949 10.591 1.369 161 HD22 ASN 25 2HD2 ASN 25 -19.253 10.327 2.472 162 H SER 26 H SER 26 -12.938 10.779 4.743 163 HA SER 26 HA SER 26 -11.208 9.756 2.588 164 HB2 SER 26 1HB SER 26 -11.454 12.331 3.121 165 HB3 SER 26 2HB SER 26 -10.314 11.953 4.412 166 HG SER 26 HG SER 26 -9.771 11.033 1.824 167 H ALA 27 H ALA 27 -9.308 8.704 3.114 168 HA ALA 27 HA ALA 27 -8.839 8.150 5.964 169 HB1 ALA 27 1HB ALA 27 -8.127 5.789 4.843 170 HB2 ALA 27 2HB ALA 27 -9.698 6.109 5.579 171 HB3 ALA 27 3HB ALA 27 -9.500 6.242 3.832 172 H THR 28 H THR 28 -6.867 8.821 6.461 173 HA THR 28 HA THR 28 -4.829 9.062 4.400 174 HB THR 28 HB THR 28 -4.669 9.824 7.322 175 HG1 THR 28 1HG THR 28 -5.037 11.609 5.154 176 HG21 THR 28 1HG2 THR 28 -2.532 10.311 6.929 177 HG22 THR 28 2HG2 THR 28 -3.006 11.378 5.607 178 HG23 THR 28 3HG2 THR 28 -2.693 9.672 5.295 179 H LEU 29 H LEU 29 -3.003 7.862 4.254 180 HA LEU 29 HA LEU 29 -2.700 5.661 6.190 181 HB2 LEU 29 1HB LEU 29 -2.334 5.799 3.231 182 HB3 LEU 29 2HB LEU 29 -1.388 4.644 4.168 183 HG LEU 29 HG LEU 29 -3.652 3.944 3.046 184 HD11 LEU 29 1HD1 LEU 29 -3.320 3.092 5.890 185 HD12 LEU 29 2HD1 LEU 29 -2.077 2.715 4.699 186 HD13 LEU 29 3HD1 LEU 29 -3.724 2.128 4.470 187 HD21 LEU 29 1HD2 LEU 29 -4.863 5.832 4.215 188 HD22 LEU 29 2HD2 LEU 29 -4.664 4.914 5.708 189 HD23 LEU 29 3HD2 LEU 29 -5.588 4.231 4.369 190 H SER 30 H SER 30 -0.844 5.513 7.281 191 HA SER 30 HA SER 30 1.510 6.955 6.276 192 HB2 SER 30 1HB SER 30 1.995 7.835 8.484 193 HB3 SER 30 2HB SER 30 0.364 8.321 8.021 194 HG SER 30 HG SER 30 0.585 5.926 9.400 195 H TRP 31 H TRP 31 2.077 4.760 5.601 196 HA TRP 31 HA TRP 31 2.771 2.912 7.749 197 HB2 TRP 31 1HB TRP 31 3.186 1.291 5.998 198 HB3 TRP 31 2HB TRP 31 1.634 2.071 5.706 199 HD1 TRP 31 HD TRP 31 5.060 1.579 4.181 200 HE1 TRP 31 1HE TRP 31 5.095 2.608 1.822 201 HE3 TRP 31 3HE TRP 31 0.583 4.044 4.304 202 HZ2 TRP 31 2HZ TRP 31 3.444 4.248 0.225 203 HZ3 TRP 31 3HZ TRP 31 -0.115 5.320 2.320 204 HH2 TRP 31 HH TRP 31 1.287 5.419 0.324 205 H LYS 32 H LYS 32 4.894 1.989 7.914 206 HA LYS 32 HA LYS 32 7.050 3.547 6.680 207 HB2 LYS 32 1HB LYS 32 8.199 3.853 8.762 208 HB3 LYS 32 2HB LYS 32 6.559 4.459 8.957 209 HG2 LYS 32 1HG LYS 32 5.942 2.731 10.353 210 HG3 LYS 32 2HG LYS 32 7.208 1.656 9.754 211 HD2 LYS 32 1HD LYS 32 8.892 2.848 10.935 212 HD3 LYS 32 2HD LYS 32 7.781 4.164 11.321 213 HE2 LYS 32 1HE LYS 32 6.537 2.773 12.808 214 HE3 LYS 32 2HE LYS 32 7.406 1.333 12.278 215 HZ1 LYS 32 1HZ LYS 32 9.236 3.268 13.210 216 HZ2 LYS 32 2HZ LYS 32 8.953 1.708 13.797 217 HZ3 LYS 32 3HZ LYS 32 8.049 3.011 14.388 218 H GLN 33 H GLN 33 9.242 2.439 7.634 219 HA GLN 33 HA GLN 33 8.998 -0.360 6.815 220 HB2 GLN 33 1HB GLN 33 11.280 1.592 6.893 221 HB3 GLN 33 2HB GLN 33 11.581 -0.136 6.772 222 HG2 GLN 33 1HG GLN 33 9.849 0.054 4.793 223 HG3 GLN 33 2HG GLN 33 10.396 1.730 4.793 224 HE21 GLN 33 1HE2 GLN 33 11.315 -1.589 4.302 225 HE22 GLN 33 2HE2 GLN 33 12.807 -1.267 3.492 226 HA PRO 34 HA PRO 34 9.597 -1.828 10.925 227 HB2 PRO 34 1HB PRO 34 10.464 -4.334 10.338 228 HB3 PRO 34 2HB PRO 34 8.777 -3.834 10.160 229 HG2 PRO 34 1HG PRO 34 10.915 -4.064 8.077 230 HG3 PRO 34 2HG PRO 34 9.216 -4.562 7.996 231 HD2 PRO 34 1HD PRO 34 10.114 -2.264 6.882 232 HD3 PRO 34 2HD PRO 34 8.479 -2.424 7.553 233 HA PRO 35 HA PRO 35 13.906 -1.022 11.649 234 HB2 PRO 35 1HB PRO 35 13.885 -1.530 14.316 235 HB3 PRO 35 2HB PRO 35 13.228 -0.046 13.615 236 HG2 PRO 35 1HG PRO 35 11.793 -2.520 14.500 237 HG3 PRO 35 2HG PRO 35 11.354 -0.821 14.754 238 HD2 PRO 35 1HD PRO 35 10.213 -2.348 12.831 239 HD3 PRO 35 2HD PRO 35 10.469 -0.602 12.638 240 H LEU 36 H LEU 36 12.324 -4.004 11.890 241 HA LEU 36 HA LEU 36 14.609 -5.488 12.877 242 HB2 LEU 36 1HB LEU 36 12.103 -6.613 11.655 243 HB3 LEU 36 2HB LEU 36 13.235 -7.417 12.740 244 HG LEU 36 HG LEU 36 12.443 -5.486 14.383 245 HD11 LEU 36 1HD1 LEU 36 10.411 -5.571 12.233 246 HD12 LEU 36 2HD1 LEU 36 10.897 -4.243 13.286 247 HD13 LEU 36 3HD1 LEU 36 9.825 -5.504 13.895 248 HD21 LEU 36 1HD2 LEU 36 11.324 -7.116 15.507 249 HD22 LEU 36 2HD2 LEU 36 12.167 -8.126 14.331 250 HD23 LEU 36 3HD2 LEU 36 10.479 -7.686 14.067 251 H SER 37 H SER 37 13.363 -4.432 9.866 252 HA SER 37 HA SER 37 14.966 -6.390 8.384 253 HB2 SER 37 1HB SER 37 12.794 -4.473 7.534 254 HB3 SER 37 2HB SER 37 13.788 -5.355 6.375 255 HG SER 37 HG SER 37 12.910 -7.234 7.027 256 H THR 38 H THR 38 16.583 -5.780 6.962 257 HA THR 38 HA THR 38 17.470 -2.975 7.163 258 HB THR 38 HB THR 38 19.299 -5.365 6.893 259 HG1 THR 38 1HG THR 38 18.842 -5.583 8.960 260 HG21 THR 38 1HG2 THR 38 19.674 -2.418 7.064 261 HG22 THR 38 2HG2 THR 38 20.566 -3.618 6.129 262 HG23 THR 38 3HG2 THR 38 20.860 -3.452 7.860 263 H VAL 39 H VAL 39 15.774 -3.750 5.132 264 HA VAL 39 HA VAL 39 17.569 -3.837 2.794 265 HB VAL 39 HB VAL 39 14.715 -4.820 2.938 266 HG11 VAL 39 1HG1 VAL 39 14.901 -4.252 0.737 267 HG12 VAL 39 2HG1 VAL 39 16.654 -4.448 0.718 268 HG13 VAL 39 3HG1 VAL 39 15.607 -5.866 0.677 269 HG21 VAL 39 1HG2 VAL 39 16.972 -6.079 3.892 270 HG22 VAL 39 2HG2 VAL 39 15.462 -6.867 3.434 271 HG23 VAL 39 3HG2 VAL 39 16.785 -6.755 2.274 272 HA PRO 40 HA PRO 40 15.976 0.263 2.102 273 HB2 PRO 40 1HB PRO 40 17.297 0.688 -0.232 274 HB3 PRO 40 2HB PRO 40 18.083 0.784 1.349 275 HG2 PRO 40 1HG PRO 40 18.074 -1.464 -0.629 276 HG3 PRO 40 2HG PRO 40 19.422 -0.819 0.326 277 HD2 PRO 40 1HD PRO 40 18.093 -3.075 1.018 278 HD3 PRO 40 2HD PRO 40 18.796 -1.974 2.221 279 H ALA 41 H ALA 41 14.282 1.085 0.980 280 HA ALA 41 HA ALA 41 13.136 -0.611 -1.137 281 HB1 ALA 41 1HB ALA 41 11.619 -0.515 0.668 282 HB2 ALA 41 2HB ALA 41 11.833 1.226 0.856 283 HB3 ALA 41 3HB ALA 41 10.985 0.589 -0.553 284 H ASP 42 H ASP 42 12.033 0.469 -2.901 285 HA ASP 42 HA ASP 42 13.298 3.044 -3.558 286 HB2 ASP 42 1HB ASP 42 12.544 0.664 -5.199 287 HB3 ASP 42 2HB ASP 42 12.517 2.253 -5.960 288 H GLY 43 H GLY 43 10.265 1.278 -3.467 289 HA2 GLY 43 1HA GLY 43 8.813 3.790 -3.434 290 HA3 GLY 43 2HA GLY 43 8.480 2.759 -4.818 291 H TYR 44 H TYR 44 6.334 3.254 -3.456 292 HA TYR 44 HA TYR 44 5.777 0.746 -2.068 293 HB2 TYR 44 1HB TYR 44 4.982 3.427 -0.917 294 HB3 TYR 44 2HB TYR 44 4.652 1.844 -0.220 295 HD1 TYR 44 2HD TYR 44 7.416 4.156 -1.130 296 HD2 TYR 44 1HD TYR 44 6.189 0.842 1.240 297 HE1 TYR 44 2HE TYR 44 9.531 4.274 0.120 298 HE2 TYR 44 1HE TYR 44 8.300 0.951 2.497 299 HH TYR 44 HH TYR 44 10.054 3.012 2.972 300 H ILE 45 H ILE 45 4.029 -0.145 -2.923 301 HA ILE 45 HA ILE 45 2.165 1.544 -4.426 302 HB ILE 45 HB ILE 45 2.626 -1.436 -4.450 303 HG12 ILE 45 1HG1 ILE 45 2.753 0.339 -6.848 304 HG13 ILE 45 2HG1 ILE 45 4.088 0.389 -5.701 305 HG21 ILE 45 1HG2 ILE 45 0.244 -1.019 -4.665 306 HG22 ILE 45 2HG2 ILE 45 0.547 0.157 -5.943 307 HG23 ILE 45 3HG2 ILE 45 0.915 -1.547 -6.207 308 HD11 ILE 45 1HD1 ILE 45 4.228 -2.117 -5.961 309 HD12 ILE 45 2HD1 ILE 45 3.122 -1.941 -7.323 310 HD13 ILE 45 3HD1 ILE 45 4.700 -1.155 -7.361 311 H LEU 46 H LEU 46 0.070 1.783 -3.876 312 HA LEU 46 HA LEU 46 -0.816 0.470 -1.399 313 HB2 LEU 46 1HB LEU 46 -1.299 3.128 -2.616 314 HB3 LEU 46 2HB LEU 46 -2.628 2.403 -1.714 315 HG LEU 46 HG LEU 46 0.125 2.889 -0.583 316 HD11 LEU 46 1HD1 LEU 46 -2.325 4.483 0.073 317 HD12 LEU 46 2HD1 LEU 46 -1.268 4.940 -1.262 318 HD13 LEU 46 3HD1 LEU 46 -0.631 4.866 0.380 319 HD21 LEU 46 1HD2 LEU 46 -1.101 1.091 0.510 320 HD22 LEU 46 2HD2 LEU 46 -2.497 2.149 0.715 321 HD23 LEU 46 3HD2 LEU 46 -0.991 2.502 1.563 322 H GLU 47 H GLU 47 -3.183 0.033 -1.254 323 HA GLU 47 HA GLU 47 -4.526 -0.455 -3.787 324 HB2 GLU 47 1HB GLU 47 -3.433 -2.591 -2.032 325 HB3 GLU 47 2HB GLU 47 -5.029 -2.856 -2.719 326 HG2 GLU 47 1HG GLU 47 -3.839 -2.164 -4.949 327 HG3 GLU 47 2HG GLU 47 -2.390 -2.652 -4.073 328 H LEU 48 H LEU 48 -6.761 -0.673 -3.606 329 HA LEU 48 HA LEU 48 -8.057 -0.850 -1.053 330 HB2 LEU 48 1HB LEU 48 -7.406 1.468 -0.950 331 HB3 LEU 48 2HB LEU 48 -8.069 1.762 -2.556 332 HG LEU 48 HG LEU 48 -9.377 2.535 -0.447 333 HD11 LEU 48 1HD1 LEU 48 -10.537 2.952 -2.347 334 HD12 LEU 48 2HD1 LEU 48 -11.540 1.642 -1.724 335 HD13 LEU 48 3HD1 LEU 48 -10.333 1.313 -2.966 336 HD21 LEU 48 1HD2 LEU 48 -9.183 -0.004 0.334 337 HD22 LEU 48 2HD2 LEU 48 -10.687 -0.119 -0.581 338 HD23 LEU 48 3HD2 LEU 48 -10.556 1.018 0.762 339 H ASP 49 H ASP 49 -10.013 -1.732 -1.305 340 HA ASP 49 HA ASP 49 -11.045 -2.022 -4.023 341 HB2 ASP 49 1HB ASP 49 -12.483 -3.773 -3.077 342 HB3 ASP 49 2HB ASP 49 -10.790 -4.059 -2.684 343 H ASP 50 H ASP 50 -13.345 -1.775 -4.436 344 HA ASP 50 HA ASP 50 -14.354 0.651 -3.243 345 HB2 ASP 50 1HB ASP 50 -15.363 -1.131 -5.461 346 HB3 ASP 50 2HB ASP 50 -16.248 0.284 -4.898 347 H GLY 51 H GLY 51 -14.225 -1.296 -1.309 348 HA2 GLY 51 1HA GLY 51 -15.467 -2.453 0.249 349 HA3 GLY 51 2HA GLY 51 -16.649 -1.186 -0.043 350 H ASN 52 H ASN 52 -15.693 -3.403 -2.559 351 HA ASN 52 HA ASN 52 -18.415 -4.499 -2.540 352 HB2 ASN 52 1HB ASN 52 -16.341 -4.149 -4.684 353 HB3 ASN 52 2HB ASN 52 -17.644 -5.316 -4.890 354 HD21 ASN 52 1HD2 ASN 52 -19.862 -4.443 -4.527 355 HD22 ASN 52 2HD2 ASN 52 -20.194 -2.854 -5.120 356 H GLY 53 H GLY 53 -15.030 -5.392 -2.394 357 HA2 GLY 53 1HA GLY 53 -14.269 -7.336 -1.273 358 HA3 GLY 53 2HA GLY 53 -15.837 -8.080 -1.553 359 H GLY 54 H GLY 54 -14.232 -6.451 -4.161 360 HA2 GLY 54 1HA GLY 54 -13.917 -9.040 -5.503 361 HA3 GLY 54 2HA GLY 54 -13.971 -7.470 -6.292 362 H GLN 55 H GLN 55 -12.101 -6.962 -7.193 363 HA GLN 55 HA GLN 55 -9.626 -8.006 -6.020 364 HB2 GLN 55 1HB GLN 55 -8.610 -7.344 -8.210 365 HB3 GLN 55 2HB GLN 55 -9.869 -8.565 -8.336 366 HG2 GLN 55 1HG GLN 55 -11.452 -6.934 -9.104 367 HG3 GLN 55 2HG GLN 55 -10.298 -5.630 -8.831 368 HE21 GLN 55 1HE2 GLN 55 -11.652 -7.504 -11.134 369 HE22 GLN 55 2HE2 GLN 55 -10.424 -7.424 -12.347 370 H PHE 56 H PHE 56 -7.867 -6.676 -5.562 371 HA PHE 56 HA PHE 56 -8.587 -3.938 -4.907 372 HB2 PHE 56 1HB PHE 56 -6.133 -5.589 -4.280 373 HB3 PHE 56 2HB PHE 56 -6.357 -3.922 -3.759 374 HD1 PHE 56 1HD PHE 56 -8.372 -7.068 -3.740 375 HD2 PHE 56 2HD PHE 56 -6.972 -3.683 -1.572 376 HE1 PHE 56 1HE PHE 56 -9.565 -7.860 -1.739 377 HE2 PHE 56 2HE PHE 56 -8.162 -4.471 0.432 378 HZ PHE 56 HZ PHE 56 -9.460 -6.562 0.351 379 H ARG 57 H ARG 57 -7.990 -2.204 -6.035 380 HA ARG 57 HA ARG 57 -6.034 -2.574 -8.203 381 HB2 ARG 57 1HB ARG 57 -7.142 -0.813 -9.399 382 HB3 ARG 57 2HB ARG 57 -8.362 -1.961 -8.867 383 HG2 ARG 57 1HG ARG 57 -9.116 -0.510 -7.157 384 HG3 ARG 57 2HG ARG 57 -7.725 0.557 -7.359 385 HD2 ARG 57 1HD ARG 57 -9.517 0.081 -9.689 386 HD3 ARG 57 2HD ARG 57 -10.073 1.148 -8.401 387 HE ARG 57 HE ARG 57 -7.429 1.750 -9.367 388 HH11 ARG 57 2HH1 ARG 57 -10.841 2.292 -9.795 389 HH12 ARG 57 1HH1 ARG 57 -10.631 3.809 -10.606 390 HH21 ARG 57 2HH2 ARG 57 -7.139 3.745 -10.435 391 HH22 ARG 57 1HH2 ARG 57 -8.525 4.633 -10.970 392 H GLU 58 H GLU 58 -4.318 -1.201 -8.414 393 HA GLU 58 HA GLU 58 -3.216 -0.004 -6.180 394 HB2 GLU 58 1HB GLU 58 -2.723 0.278 -9.117 395 HB3 GLU 58 2HB GLU 58 -1.899 1.359 -8.003 396 HG2 GLU 58 1HG GLU 58 -0.355 -0.301 -8.164 397 HG3 GLU 58 2HG GLU 58 -1.286 -0.884 -6.786 398 H VAL 59 H VAL 59 -3.370 1.932 -5.207 399 HA VAL 59 HA VAL 59 -5.181 3.914 -6.422 400 HB VAL 59 HB VAL 59 -5.553 4.741 -4.100 401 HG11 VAL 59 1HG1 VAL 59 -6.944 2.952 -5.359 402 HG12 VAL 59 2HG1 VAL 59 -6.265 1.836 -4.173 403 HG13 VAL 59 3HG1 VAL 59 -7.230 3.212 -3.638 404 HG21 VAL 59 1HG2 VAL 59 -4.874 2.497 -2.579 405 HG22 VAL 59 2HG2 VAL 59 -3.446 2.856 -3.549 406 HG23 VAL 59 3HG2 VAL 59 -4.139 4.099 -2.507 407 H TYR 60 H TYR 60 -2.042 3.353 -5.069 408 HA TYR 60 HA TYR 60 -1.086 5.867 -6.064 409 HB2 TYR 60 1HB TYR 60 -1.651 6.953 -4.130 410 HB3 TYR 60 2HB TYR 60 -1.599 5.484 -3.161 411 HD1 TYR 60 1HD TYR 60 0.512 4.688 -2.220 412 HD2 TYR 60 2HD TYR 60 0.328 8.298 -4.464 413 HE1 TYR 60 1HE TYR 60 2.724 5.330 -1.357 414 HE2 TYR 60 2HE TYR 60 2.540 8.949 -3.609 415 HH TYR 60 HH TYR 60 4.476 8.034 -2.624 416 H VAL 61 H VAL 61 1.174 5.964 -6.191 417 HA VAL 61 HA VAL 61 2.858 3.993 -4.991 418 HB VAL 61 HB VAL 61 2.054 2.479 -6.618 419 HG11 VAL 61 1HG1 VAL 61 0.962 3.330 -8.366 420 HG12 VAL 61 2HG1 VAL 61 1.826 4.865 -8.255 421 HG13 VAL 61 3HG1 VAL 61 2.538 3.513 -9.136 422 HG21 VAL 61 1HG2 VAL 61 4.719 3.359 -6.628 423 HG22 VAL 61 2HG2 VAL 61 4.103 1.784 -7.129 424 HG23 VAL 61 3HG2 VAL 61 4.290 3.076 -8.315 425 H GLY 62 H GLY 62 4.761 4.946 -4.697 426 HA2 GLY 62 1HA GLY 62 6.125 6.375 -6.752 427 HA3 GLY 62 2HA GLY 62 5.429 7.478 -5.575 428 H LYS 63 H LYS 63 6.996 8.182 -4.292 429 HA LYS 63 HA LYS 63 8.990 6.239 -3.326 430 HB2 LYS 63 1HB LYS 63 10.444 8.220 -2.916 431 HB3 LYS 63 2HB LYS 63 10.048 7.978 -4.612 432 HG2 LYS 63 1HG LYS 63 8.536 9.783 -4.623 433 HG3 LYS 63 2HG LYS 63 8.523 9.881 -2.861 434 HD2 LYS 63 1HD LYS 63 10.729 10.743 -2.801 435 HD3 LYS 63 2HD LYS 63 11.006 10.345 -4.499 436 HE2 LYS 63 1HE LYS 63 10.634 12.716 -4.288 437 HE3 LYS 63 2HE LYS 63 9.265 11.986 -5.125 438 HZ1 LYS 63 1HZ LYS 63 9.178 13.586 -2.884 439 HZ2 LYS 63 2HZ LYS 63 8.823 12.029 -2.324 440 HZ3 LYS 63 3HZ LYS 63 7.896 12.715 -3.562 441 H GLU 64 H GLU 64 6.681 8.698 -2.423 442 HA GLU 64 HA GLU 64 7.422 8.919 0.303 443 HB2 GLU 64 1HB GLU 64 4.766 9.449 -1.040 444 HB3 GLU 64 2HB GLU 64 5.177 9.927 0.601 445 HG2 GLU 64 1HG GLU 64 6.689 10.845 -1.830 446 HG3 GLU 64 2HG GLU 64 5.349 11.736 -1.111 447 H THR 65 H THR 65 5.968 8.260 2.120 448 HA THR 65 HA THR 65 4.906 5.548 1.657 449 HB THR 65 HB THR 65 5.678 4.838 3.785 450 HG1 THR 65 1HG THR 65 5.939 7.588 4.248 451 HG21 THR 65 1HG2 THR 65 7.611 4.535 2.679 452 HG22 THR 65 2HG2 THR 65 8.188 5.920 3.605 453 HG23 THR 65 3HG2 THR 65 7.566 6.149 1.971 454 H MET 66 H MET 66 3.570 8.231 1.675 455 HA MET 66 HA MET 66 1.415 7.488 3.491 456 HB2 MET 66 1HB MET 66 2.646 8.995 4.881 457 HB3 MET 66 2HB MET 66 2.844 10.145 3.565 458 HG2 MET 66 1HG MET 66 0.245 10.223 3.606 459 HG3 MET 66 2HG MET 66 0.441 9.571 5.231 460 HE1 MET 66 1HE MET 66 -0.357 12.893 6.450 461 HE2 MET 66 2HE MET 66 -0.710 11.175 6.268 462 HE3 MET 66 3HE MET 66 0.578 11.701 7.354 463 H CYS 67 H CYS 67 -0.464 7.617 2.460 464 HA CYS 67 HA CYS 67 -0.923 9.720 0.500 465 HB2 CYS 67 1HB CYS 67 0.028 7.753 -0.739 466 HB3 CYS 67 2HB CYS 67 -1.367 6.817 -0.215 467 HG CYS 67 HG CYS 67 -1.262 9.386 -2.444 468 H THR 68 H THR 68 -3.053 10.301 0.295 469 HA THR 68 HA THR 68 -4.972 8.820 1.975 470 HB THR 68 HB THR 68 -5.070 11.794 1.466 471 HG1 THR 68 1HG THR 68 -3.649 10.301 3.352 472 HG21 THR 68 1HG2 THR 68 -6.528 11.705 3.511 473 HG22 THR 68 2HG2 THR 68 -6.492 9.947 3.380 474 HG23 THR 68 3HG2 THR 68 -7.202 10.914 2.088 475 H VAL 69 H VAL 69 -6.952 8.376 1.138 476 HA VAL 69 HA VAL 69 -7.362 9.076 -1.686 477 HB VAL 69 HB VAL 69 -7.327 6.674 -1.181 478 HG11 VAL 69 1HG1 VAL 69 -9.920 6.821 0.253 479 HG12 VAL 69 2HG1 VAL 69 -8.614 5.642 0.389 480 HG13 VAL 69 3HG1 VAL 69 -8.461 7.223 1.157 481 HG21 VAL 69 1HG2 VAL 69 -9.210 8.054 -2.681 482 HG22 VAL 69 2HG2 VAL 69 -8.808 6.342 -2.813 483 HG23 VAL 69 3HG2 VAL 69 -10.151 6.856 -1.793 484 H ASP 70 H ASP 70 -9.167 10.119 -2.379 485 HA ASP 70 HA ASP 70 -11.058 11.010 -0.301 486 HB2 ASP 70 1HB ASP 70 -10.075 13.000 -0.925 487 HB3 ASP 70 2HB ASP 70 -9.767 12.455 -2.571 488 H GLY 71 H GLY 71 -13.250 11.034 -0.770 489 HA2 GLY 71 1HA GLY 71 -15.184 10.652 -2.012 490 HA3 GLY 71 2HA GLY 71 -14.184 10.250 -3.399 491 H LEU 72 H LEU 72 -14.936 8.974 -0.155 492 HA LEU 72 HA LEU 72 -14.918 6.273 -1.332 493 HB2 LEU 72 1HB LEU 72 -14.371 7.155 1.497 494 HB3 LEU 72 2HB LEU 72 -14.491 5.474 0.981 495 HG LEU 72 HG LEU 72 -12.465 7.335 -0.220 496 HD11 LEU 72 1HD1 LEU 72 -11.371 7.460 1.704 497 HD12 LEU 72 2HD1 LEU 72 -11.190 5.706 1.669 498 HD13 LEU 72 3HD1 LEU 72 -12.563 6.434 2.502 499 HD21 LEU 72 1HD2 LEU 72 -11.458 5.433 -1.027 500 HD22 LEU 72 2HD2 LEU 72 -13.159 4.972 -1.100 501 HD23 LEU 72 3HD2 LEU 72 -12.147 4.403 0.228 502 H HIS 73 H HIS 73 -16.553 4.817 -0.758 503 HA HIS 73 HA HIS 73 -19.129 5.892 -0.495 504 HB2 HIS 73 1HB HIS 73 -18.311 3.564 -1.381 505 HB3 HIS 73 2HB HIS 73 -18.546 3.059 0.290 506 HD1 HIS 73 1HD HIS 73 -20.781 2.113 0.708 507 HD2 HIS 73 2HD HIS 73 -20.850 4.911 -2.363 508 HE1 HIS 73 1HE HIS 73 -23.158 2.153 -0.113 509 HE2 HIS 73 2HE HIS 73 -23.156 3.790 -2.027 510 H PHE 74 H PHE 74 -20.700 5.138 1.252 511 HA PHE 74 HA PHE 74 -19.443 5.554 3.883 512 HB2 PHE 74 1HB PHE 74 -21.952 6.265 4.405 513 HB3 PHE 74 2HB PHE 74 -20.792 7.402 3.727 514 HD1 PHE 74 1HD PHE 74 -20.725 7.554 1.137 515 HD2 PHE 74 2HD PHE 74 -23.979 5.937 3.355 516 HE1 PHE 74 1HE PHE 74 -22.218 7.934 -0.782 517 HE2 PHE 74 2HE PHE 74 -25.476 6.314 1.440 518 HZ PHE 74 HZ PHE 74 -24.597 7.313 -0.632 519 H ASN 75 H ASN 75 -20.592 4.572 5.728 520 HA ASN 75 HA ASN 75 -21.054 2.555 6.742 521 HB2 ASN 75 1HB ASN 75 -23.441 3.097 4.974 522 HB3 ASN 75 2HB ASN 75 -23.421 1.810 6.176 523 HD21 ASN 75 1HD2 ASN 75 -24.508 4.785 5.668 524 HD22 ASN 75 2HD2 ASN 75 -24.495 5.415 7.277 525 H SER 76 H SER 76 -19.214 1.924 4.950 526 HA SER 76 HA SER 76 -20.101 -0.681 3.986 527 HB2 SER 76 1HB SER 76 -18.764 -0.226 1.827 528 HB3 SER 76 2HB SER 76 -20.369 0.493 1.963 529 HG SER 76 HG SER 76 -17.915 1.805 2.535 530 H THR 77 H THR 77 -18.498 -2.232 3.942 531 HA THR 77 HA THR 77 -16.166 -1.647 5.534 532 HB THR 77 HB THR 77 -16.739 -4.272 4.169 533 HG1 THR 77 1HG THR 77 -18.021 -3.055 6.346 534 HG21 THR 77 1HG2 THR 77 -15.525 -5.207 6.054 535 HG22 THR 77 2HG2 THR 77 -15.368 -3.606 6.777 536 HG23 THR 77 3HG2 THR 77 -14.544 -3.975 5.262 537 H TYR 78 H TYR 78 -14.344 -0.888 4.702 538 HA TYR 78 HA TYR 78 -13.628 -1.654 1.947 539 HB2 TYR 78 1HB TYR 78 -13.430 0.936 3.408 540 HB3 TYR 78 2HB TYR 78 -12.166 0.550 2.245 541 HD1 TYR 78 1HD TYR 78 -15.895 0.209 2.342 542 HD2 TYR 78 2HD TYR 78 -12.474 1.566 0.206 543 HE1 TYR 78 1HE TYR 78 -17.349 0.981 0.515 544 HE2 TYR 78 2HE TYR 78 -13.919 2.343 -1.626 545 HH TYR 78 HH TYR 78 -16.466 1.532 -2.429 546 H ASN 79 H ASN 79 -11.697 -2.586 1.600 547 HA ASN 79 HA ASN 79 -9.900 -2.866 3.917 548 HB2 ASN 79 1HB ASN 79 -10.402 -4.722 1.584 549 HB3 ASN 79 2HB ASN 79 -9.095 -4.947 2.744 550 HD21 ASN 79 1HD2 ASN 79 -12.262 -5.662 2.013 551 HD22 ASN 79 2HD2 ASN 79 -12.764 -6.260 3.554 552 H ALA 80 H ALA 80 -7.832 -2.223 3.752 553 HA ALA 80 HA ALA 80 -6.787 -1.537 1.089 554 HB1 ALA 80 1HB ALA 80 -5.909 0.535 1.851 555 HB2 ALA 80 2HB ALA 80 -7.605 0.486 2.334 556 HB3 ALA 80 3HB ALA 80 -6.341 0.177 3.524 557 H ARG 81 H ARG 81 -4.609 -1.878 0.773 558 HA ARG 81 HA ARG 81 -2.979 -2.775 3.020 559 HB2 ARG 81 1HB ARG 81 -2.212 -4.752 1.613 560 HB3 ARG 81 2HB ARG 81 -3.814 -4.873 2.329 561 HG2 ARG 81 1HG ARG 81 -4.596 -3.906 0.033 562 HG3 ARG 81 2HG ARG 81 -3.035 -4.515 -0.522 563 HD2 ARG 81 1HD ARG 81 -3.686 -6.721 0.558 564 HD3 ARG 81 2HD ARG 81 -5.313 -6.055 0.694 565 HE ARG 81 HE ARG 81 -4.160 -5.966 -1.957 566 HH11 ARG 81 2HH1 ARG 81 -6.117 -7.738 0.312 567 HH12 ARG 81 1HH1 ARG 81 -6.932 -8.658 -0.909 568 HH21 ARG 81 2HH2 ARG 81 -5.227 -7.170 -3.574 569 HH22 ARG 81 1HH2 ARG 81 -6.425 -8.334 -3.119 570 H VAL 82 H VAL 82 -0.844 -2.303 2.803 571 HA VAL 82 HA VAL 82 -0.014 -1.073 0.255 572 HB VAL 82 HB VAL 82 -0.215 0.506 2.200 573 HG11 VAL 82 1HG1 VAL 82 0.826 0.170 4.148 574 HG12 VAL 82 2HG1 VAL 82 1.048 -1.493 3.602 575 HG13 VAL 82 3HG1 VAL 82 2.330 -0.306 3.360 576 HG21 VAL 82 1HG2 VAL 82 2.092 0.110 0.448 577 HG22 VAL 82 2HG2 VAL 82 1.134 1.559 0.751 578 HG23 VAL 82 3HG2 VAL 82 2.430 1.111 1.860 579 H LYS 83 H LYS 83 1.938 -1.630 -0.612 580 HA LYS 83 HA LYS 83 3.616 -3.524 0.878 581 HB2 LYS 83 1HB LYS 83 3.881 -4.909 -1.128 582 HB3 LYS 83 2HB LYS 83 2.200 -4.845 -0.615 583 HG2 LYS 83 1HG LYS 83 1.556 -3.570 -2.422 584 HG3 LYS 83 2HG LYS 83 3.183 -2.940 -2.691 585 HD2 LYS 83 1HD LYS 83 3.853 -5.287 -3.335 586 HD3 LYS 83 2HD LYS 83 2.136 -5.694 -3.317 587 HE2 LYS 83 1HE LYS 83 3.058 -3.337 -4.895 588 HE3 LYS 83 2HE LYS 83 3.324 -4.956 -5.539 589 HZ1 LYS 83 1HZ LYS 83 0.656 -4.482 -4.539 590 HZ2 LYS 83 2HZ LYS 83 1.159 -5.223 -5.974 591 HZ3 LYS 83 3HZ LYS 83 1.075 -3.536 -5.878 592 H ALA 84 H ALA 84 5.797 -3.766 -0.078 593 HA ALA 84 HA ALA 84 6.705 -1.188 -1.152 594 HB1 ALA 84 1HB ALA 84 8.946 -1.898 -0.344 595 HB2 ALA 84 2HB ALA 84 7.740 -1.755 0.935 596 HB3 ALA 84 3HB ALA 84 8.198 -3.347 0.329 597 H PHE 85 H PHE 85 8.193 -1.099 -2.872 598 HA PHE 85 HA PHE 85 8.746 -3.555 -4.338 599 HB2 PHE 85 1HB PHE 85 7.605 -3.032 -6.267 600 HB3 PHE 85 2HB PHE 85 6.516 -2.334 -5.073 601 HD1 PHE 85 1HD PHE 85 9.221 -1.535 -7.463 602 HD2 PHE 85 2HD PHE 85 6.045 -0.035 -5.059 603 HE1 PHE 85 1HE PHE 85 9.420 0.653 -8.572 604 HE2 PHE 85 2HE PHE 85 6.238 2.155 -6.164 605 HZ PHE 85 HZ PHE 85 7.926 2.501 -7.923 606 H ASN 86 H ASN 86 10.604 -3.481 -5.528 607 HA ASN 86 HA ASN 86 11.891 -0.979 -6.157 608 HB2 ASN 86 1HB ASN 86 13.899 -1.342 -4.851 609 HB3 ASN 86 2HB ASN 86 12.507 -1.329 -3.772 610 HD21 ASN 86 1HD2 ASN 86 14.025 -2.414 -2.328 611 HD22 ASN 86 2HD2 ASN 86 14.198 -4.129 -2.441 612 H LYS 87 H LYS 87 14.309 -1.614 -6.891 613 HA LYS 87 HA LYS 87 14.278 -2.791 -9.281 614 HB2 LYS 87 1HB LYS 87 16.440 -2.991 -7.188 615 HB3 LYS 87 2HB LYS 87 16.666 -3.564 -8.835 616 HG2 LYS 87 1HG LYS 87 15.917 -0.740 -8.111 617 HG3 LYS 87 2HG LYS 87 17.565 -1.291 -8.419 618 HD2 LYS 87 1HD LYS 87 16.851 -2.016 -10.679 619 HD3 LYS 87 2HD LYS 87 15.253 -1.339 -10.359 620 HE2 LYS 87 1HE LYS 87 16.207 0.430 -11.439 621 HE3 LYS 87 2HE LYS 87 16.675 0.813 -9.783 622 HZ1 LYS 87 1HZ LYS 87 18.815 0.549 -10.269 623 HZ2 LYS 87 2HZ LYS 87 18.364 0.576 -11.899 624 HZ3 LYS 87 3HZ LYS 87 18.555 -0.902 -11.098 625 H THR 88 H THR 88 14.616 -4.575 -6.236 626 HA THR 88 HA THR 88 15.018 -7.128 -7.210 627 HB THR 88 HB THR 88 13.240 -6.530 -4.846 628 HG1 THR 88 1HG THR 88 16.084 -6.704 -4.846 629 HG21 THR 88 1HG2 THR 88 15.199 -8.671 -4.632 630 HG22 THR 88 2HG2 THR 88 14.066 -8.923 -5.961 631 HG23 THR 88 3HG2 THR 88 13.464 -8.694 -4.320 632 H GLY 89 H GLY 89 11.844 -5.816 -6.217 633 HA2 GLY 89 1HA GLY 89 10.432 -6.539 -8.501 634 HA3 GLY 89 2HA GLY 89 10.378 -7.924 -7.420 635 H VAL 90 H VAL 90 8.939 -7.941 -5.787 636 HA VAL 90 HA VAL 90 7.765 -5.487 -4.801 637 HB VAL 90 HB VAL 90 5.419 -6.673 -5.212 638 HG11 VAL 90 1HG1 VAL 90 5.918 -4.407 -5.860 639 HG12 VAL 90 2HG1 VAL 90 6.894 -4.970 -7.217 640 HG13 VAL 90 3HG1 VAL 90 5.150 -5.237 -7.213 641 HG21 VAL 90 1HG2 VAL 90 7.124 -7.587 -7.525 642 HG22 VAL 90 2HG2 VAL 90 6.268 -8.607 -6.369 643 HG23 VAL 90 3HG2 VAL 90 5.361 -7.613 -7.509 644 H SER 91 H SER 91 6.540 -5.776 -2.880 645 HA SER 91 HA SER 91 7.131 -8.317 -1.526 646 HB2 SER 91 1HB SER 91 6.946 -5.488 -0.623 647 HB3 SER 91 2HB SER 91 6.425 -6.730 0.514 648 HG SER 91 HG SER 91 8.522 -6.691 0.914 649 HA PRO 92 HA PRO 92 2.910 -9.413 -1.063 650 HB2 PRO 92 1HB PRO 92 2.814 -10.360 1.479 651 HB3 PRO 92 2HB PRO 92 3.608 -11.228 0.159 652 HG2 PRO 92 1HG PRO 92 4.814 -9.499 2.285 653 HG3 PRO 92 2HG PRO 92 5.380 -11.057 1.656 654 HD2 PRO 92 1HD PRO 92 6.450 -8.696 0.875 655 HD3 PRO 92 2HD PRO 92 6.340 -10.099 -0.207 656 H TYR 93 H TYR 93 0.943 -8.639 -0.382 657 HA TYR 93 HA TYR 93 0.789 -6.028 0.611 658 HB2 TYR 93 1HB TYR 93 -1.288 -8.206 0.384 659 HB3 TYR 93 2HB TYR 93 -1.674 -6.573 0.915 660 HD1 TYR 93 1HD TYR 93 -0.490 -4.733 -0.767 661 HD2 TYR 93 2HD TYR 93 -1.830 -8.636 -1.807 662 HE1 TYR 93 1HE TYR 93 -0.725 -4.022 -3.110 663 HE2 TYR 93 2HE TYR 93 -2.066 -7.936 -4.153 664 HH TYR 93 HH TYR 93 -1.104 -6.177 -5.656 665 H SER 94 H SER 94 0.271 -5.170 2.597 666 HA SER 94 HA SER 94 1.062 -6.712 4.878 667 HB2 SER 94 1HB SER 94 1.712 -4.504 5.118 668 HB3 SER 94 2HB SER 94 0.227 -3.878 4.400 669 HG SER 94 HG SER 94 -0.854 -4.314 6.296 670 H LYS 95 H LYS 95 -0.227 -6.989 6.811 671 HA LYS 95 HA LYS 95 -2.473 -8.424 6.614 672 HB2 LYS 95 1HB LYS 95 -1.202 -7.789 8.727 673 HB3 LYS 95 2HB LYS 95 -2.213 -6.352 8.790 674 HG2 LYS 95 1HG LYS 95 -3.341 -7.788 10.184 675 HG3 LYS 95 2HG LYS 95 -4.177 -8.047 8.651 676 HD2 LYS 95 1HD LYS 95 -3.813 -10.215 9.343 677 HD3 LYS 95 2HD LYS 95 -2.395 -9.932 8.331 678 HE2 LYS 95 1HE LYS 95 -1.499 -10.899 10.245 679 HE3 LYS 95 2HE LYS 95 -1.258 -9.174 10.515 680 HZ1 LYS 95 1HZ LYS 95 -3.565 -10.702 11.587 681 HZ2 LYS 95 2HZ LYS 95 -3.123 -9.114 11.968 682 HZ3 LYS 95 3HZ LYS 95 -2.147 -10.405 12.461 683 H THR 96 H THR 96 -4.116 -7.987 5.266 684 HA THR 96 HA THR 96 -5.154 -5.733 4.295 685 HB THR 96 HB THR 96 -7.006 -7.838 5.413 686 HG1 THR 96 1HG THR 96 -5.532 -9.005 4.264 687 HG21 THR 96 1HG2 THR 96 -7.270 -6.399 2.795 688 HG22 THR 96 2HG2 THR 96 -7.824 -5.650 4.293 689 HG23 THR 96 3HG2 THR 96 -8.516 -7.184 3.765 690 H LEU 97 H LEU 97 -5.632 -3.842 5.186 691 HA LEU 97 HA LEU 97 -6.606 -3.736 7.937 692 HB2 LEU 97 1HB LEU 97 -4.831 -2.248 7.579 693 HB3 LEU 97 2HB LEU 97 -5.488 -1.702 6.038 694 HG LEU 97 HG LEU 97 -7.438 -0.828 7.625 695 HD11 LEU 97 1HD1 LEU 97 -6.255 -1.800 9.626 696 HD12 LEU 97 2HD1 LEU 97 -6.686 -0.094 9.744 697 HD13 LEU 97 3HD1 LEU 97 -5.021 -0.561 9.395 698 HD21 LEU 97 1HD2 LEU 97 -4.800 0.587 7.256 699 HD22 LEU 97 2HD2 LEU 97 -6.354 1.347 7.598 700 HD23 LEU 97 3HD2 LEU 97 -6.099 0.510 6.066 701 H VAL 98 H VAL 98 -8.665 -3.368 8.438 702 HA VAL 98 HA VAL 98 -10.564 -2.844 6.293 703 HB VAL 98 HB VAL 98 -11.044 -3.496 9.204 704 HG11 VAL 98 1HG1 VAL 98 -12.869 -2.909 6.922 705 HG12 VAL 98 2HG1 VAL 98 -13.359 -4.101 8.128 706 HG13 VAL 98 3HG1 VAL 98 -12.999 -2.445 8.619 707 HG21 VAL 98 1HG2 VAL 98 -10.077 -5.172 7.298 708 HG22 VAL 98 2HG2 VAL 98 -11.042 -5.684 8.682 709 HG23 VAL 98 3HG2 VAL 98 -11.815 -5.414 7.120 710 H LEU 99 H LEU 99 -11.994 -1.117 6.248 711 HA LEU 99 HA LEU 99 -11.562 1.026 8.208 712 HB2 LEU 99 1HB LEU 99 -11.970 1.773 5.362 713 HB3 LEU 99 2HB LEU 99 -11.133 2.642 6.647 714 HG LEU 99 HG LEU 99 -9.927 0.130 5.581 715 HD11 LEU 99 1HD1 LEU 99 -10.064 0.994 3.501 716 HD12 LEU 99 2HD1 LEU 99 -8.695 1.959 4.053 717 HD13 LEU 99 3HD1 LEU 99 -10.322 2.640 4.080 718 HD21 LEU 99 1HD2 LEU 99 -8.472 0.826 7.134 719 HD22 LEU 99 2HD2 LEU 99 -9.140 2.459 7.168 720 HD23 LEU 99 3HD2 LEU 99 -7.975 2.007 5.922 721 H GLN 100 H GLN 100 -13.511 0.869 9.201 722 HA GLN 100 HA GLN 100 -15.956 0.489 7.756 723 HB2 GLN 100 1HB GLN 100 -15.182 0.872 10.602 724 HB3 GLN 100 2HB GLN 100 -16.839 1.257 10.156 725 HG2 GLN 100 1HG GLN 100 -17.101 -0.923 10.714 726 HG3 GLN 100 2HG GLN 100 -16.713 -1.110 9.005 727 HE21 GLN 100 1HE2 GLN 100 -15.807 -3.105 9.121 728 HE22 GLN 100 2HE2 GLN 100 -14.339 -3.448 9.965 729 H THR 101 H THR 101 -15.740 2.293 6.272 730 HA THR 101 HA THR 101 -15.459 4.926 6.687 731 HB THR 101 HB THR 101 -17.158 5.365 4.924 732 HG1 THR 101 1HG THR 101 -18.020 3.280 4.001 733 HG21 THR 101 1HG2 THR 101 -14.790 4.533 4.478 734 HG22 THR 101 2HG2 THR 101 -15.960 4.328 3.174 735 HG23 THR 101 3HG2 THR 101 -15.517 2.954 4.186 736 H SER 102 H SER 102 -16.845 6.718 7.143 737 HA SER 102 HA SER 102 -18.678 6.159 9.316 738 HB2 SER 102 1HB SER 102 -16.895 8.107 9.073 739 HB3 SER 102 2HB SER 102 -18.240 8.928 8.282 740 HG SER 102 HG SER 102 -19.479 8.484 10.185 741 H GLU 103 H GLU 103 -20.779 7.336 9.419 742 HA GLU 103 HA GLU 103 -22.495 6.563 7.396 743 HB2 GLU 103 1HB GLU 103 -24.162 8.024 8.432 744 HB3 GLU 103 2HB GLU 103 -23.253 7.141 9.650 745 HG2 GLU 103 1HG GLU 103 -21.857 9.143 10.010 746 HG3 GLU 103 2HG GLU 103 -22.865 10.018 8.860 747 H GLY 104 H GLY 104 -23.422 7.548 5.628 748 HA2 GLY 104 1HA GLY 104 -21.843 9.536 4.314 749 HA3 GLY 104 2HA GLY 104 -23.339 8.834 3.717 750 H SER 105 H SER 105 -22.369 11.634 3.743 751 HA SER 105 HA SER 105 -23.086 13.748 4.239 752 HB2 SER 105 1HB SER 105 -24.959 12.691 2.837 753 HB3 SER 105 2HB SER 105 -25.847 12.540 4.353 754 HG SER 105 HG SER 105 -25.885 14.732 4.552 755 H GLY 106 H GLY 106 -22.184 12.473 6.510 756 HA2 GLY 106 1HA GLY 106 -24.145 12.762 8.621 757 HA3 GLY 106 2HA GLY 106 -22.460 12.301 8.814 758 HA PRO 107 HA PRO 107 -23.367 16.963 9.650 759 HB2 PRO 107 1HB PRO 107 -24.089 16.915 12.266 760 HB3 PRO 107 2HB PRO 107 -25.261 16.843 10.945 761 HG2 PRO 107 1HG PRO 107 -24.141 14.619 12.607 762 HG3 PRO 107 2HG PRO 107 -25.813 14.892 12.084 763 HD2 PRO 107 1HD PRO 107 -24.171 13.128 10.850 764 HD3 PRO 107 2HD PRO 107 -25.430 14.029 9.981 765 H SER 108 H SER 108 -21.203 17.383 9.576 766 HA SER 108 HA SER 108 -19.147 16.253 10.980 767 HB2 SER 108 1HB SER 108 -18.807 17.883 9.176 768 HB3 SER 108 2HB SER 108 -19.407 19.173 10.217 769 HG SER 108 HG SER 108 -17.570 18.181 11.647 770 H SER 109 H SER 109 -21.089 19.056 11.985 771 HA SER 109 HA SER 109 -19.777 19.240 14.535 772 HB2 SER 109 1HB SER 109 -21.006 21.096 13.112 773 HB3 SER 109 2HB SER 109 -22.420 20.540 14.008 774 HG SER 109 HG SER 109 -21.457 21.126 15.898 775 H GLY 110 H GLY 110 -20.300 18.251 16.381 776 HA2 GLY 110 1HA GLY 110 -21.952 16.066 16.564 777 HA3 GLY 110 2HA GLY 110 -21.488 17.051 17.944 Start of MODEL 5 1 H1 GLY 1 H GLY 1 12.294 -20.459 -3.536 2 HA2 GLY 1 1HA GLY 1 14.769 -21.008 -3.393 3 HA3 GLY 1 2HA GLY 1 14.678 -21.128 -5.144 4 H SER 2 H SER 2 15.651 -19.177 -2.732 5 HA SER 2 HA SER 2 15.043 -16.710 -4.222 6 HB2 SER 2 1HB SER 2 15.812 -17.044 -1.312 7 HB3 SER 2 2HB SER 2 15.499 -15.505 -2.114 8 HG SER 2 HG SER 2 13.525 -17.450 -2.320 9 H SER 3 H SER 3 16.701 -16.559 -5.647 10 HA SER 3 HA SER 3 19.432 -17.036 -4.785 11 HB2 SER 3 1HB SER 3 18.460 -17.693 -7.071 12 HB3 SER 3 2HB SER 3 18.588 -15.983 -7.482 13 HG SER 3 HG SER 3 20.451 -17.652 -7.822 14 H GLY 4 H GLY 4 17.846 -14.782 -3.690 15 HA2 GLY 4 1HA GLY 4 19.671 -12.603 -4.500 16 HA3 GLY 4 2HA GLY 4 17.971 -12.317 -4.158 17 H SER 5 H SER 5 21.069 -13.199 -2.756 18 HA SER 5 HA SER 5 19.988 -12.766 -0.065 19 HB2 SER 5 1HB SER 5 22.101 -13.752 0.733 20 HB3 SER 5 2HB SER 5 21.280 -14.826 -0.399 21 HG SER 5 HG SER 5 23.664 -13.424 -0.678 22 H SER 6 H SER 6 22.025 -11.348 -2.462 23 HA SER 6 HA SER 6 23.454 -9.598 -0.705 24 HB2 SER 6 1HB SER 6 23.020 -9.335 -3.690 25 HB3 SER 6 2HB SER 6 24.263 -8.528 -2.734 26 HG SER 6 HG SER 6 24.673 -10.671 -3.952 27 H GLY 7 H GLY 7 20.743 -9.149 -2.973 28 HA2 GLY 7 1HA GLY 7 19.946 -6.799 -1.378 29 HA3 GLY 7 2HA GLY 7 19.981 -6.722 -3.133 30 HA PRO 8 HA PRO 8 16.390 -9.735 -1.866 31 HB2 PRO 8 1HB PRO 8 15.594 -9.571 0.725 32 HB3 PRO 8 2HB PRO 8 16.823 -10.713 0.168 33 HG2 PRO 8 1HG PRO 8 17.172 -8.063 1.515 34 HG3 PRO 8 2HG PRO 8 18.028 -9.588 1.807 35 HD2 PRO 8 1HD PRO 8 19.092 -7.579 0.336 36 HD3 PRO 8 2HD PRO 8 19.434 -9.289 0.006 37 H VAL 9 H VAL 9 14.094 -9.301 -1.523 38 HA VAL 9 HA VAL 9 13.282 -6.794 -2.363 39 HB VAL 9 HB VAL 9 10.997 -7.478 -1.416 40 HG11 VAL 9 1HG1 VAL 9 12.587 -8.772 -3.541 41 HG12 VAL 9 2HG1 VAL 9 11.083 -9.576 -3.086 42 HG13 VAL 9 3HG1 VAL 9 11.058 -7.900 -3.638 43 HG21 VAL 9 1HG2 VAL 9 12.106 -9.023 0.285 44 HG22 VAL 9 2HG2 VAL 9 10.698 -9.649 -0.573 45 HG23 VAL 9 3HG2 VAL 9 12.318 -10.151 -1.055 46 HA PRO 10 HA PRO 10 13.261 -4.148 1.141 47 HB2 PRO 10 1HB PRO 10 11.097 -2.595 0.615 48 HB3 PRO 10 2HB PRO 10 12.614 -2.465 -0.283 49 HG2 PRO 10 1HG PRO 10 10.087 -3.888 -1.027 50 HG3 PRO 10 2HG PRO 10 11.139 -2.876 -2.034 51 HD2 PRO 10 1HD PRO 10 11.214 -5.582 -2.108 52 HD3 PRO 10 2HD PRO 10 12.653 -4.578 -2.383 53 H ALA 11 H ALA 11 12.744 -4.781 3.134 54 HA ALA 11 HA ALA 11 10.840 -6.489 3.993 55 HB1 ALA 11 1HB ALA 11 11.796 -6.023 5.937 56 HB2 ALA 11 2HB ALA 11 12.560 -4.603 5.222 57 HB3 ALA 11 3HB ALA 11 10.974 -4.463 5.981 58 H THR 12 H THR 12 8.694 -6.559 4.067 59 HA THR 12 HA THR 12 7.000 -4.708 2.953 60 HB THR 12 HB THR 12 6.304 -6.619 5.192 61 HG1 THR 12 1HG THR 12 5.819 -7.108 2.461 62 HG21 THR 12 1HG2 THR 12 4.039 -6.453 4.469 63 HG22 THR 12 2HG2 THR 12 4.493 -5.489 3.063 64 HG23 THR 12 3HG2 THR 12 4.630 -4.805 4.682 65 HA PRO 13 HA PRO 13 6.837 -1.373 5.846 66 HB2 PRO 13 1HB PRO 13 4.597 -0.169 4.897 67 HB3 PRO 13 2HB PRO 13 6.158 -0.080 4.072 68 HG2 PRO 13 1HG PRO 13 3.815 -1.855 3.506 69 HG3 PRO 13 2HG PRO 13 4.850 -0.973 2.369 70 HD2 PRO 13 1HD PRO 13 5.151 -3.618 2.861 71 HD3 PRO 13 2HD PRO 13 6.519 -2.560 2.460 72 H ILE 14 H ILE 14 5.219 -0.336 7.341 73 HA ILE 14 HA ILE 14 3.494 -2.422 8.491 74 HB ILE 14 HB ILE 14 4.261 0.050 9.989 75 HG12 ILE 14 1HG1 ILE 14 6.355 -0.880 9.020 76 HG13 ILE 14 2HG1 ILE 14 6.305 -0.989 10.776 77 HG21 ILE 14 1HG2 ILE 14 3.990 -1.359 11.912 78 HG22 ILE 14 2HG2 ILE 14 2.587 -1.563 10.865 79 HG23 ILE 14 3HG2 ILE 14 3.850 -2.794 10.896 80 HD11 ILE 14 1HD1 ILE 14 7.076 -3.004 9.243 81 HD12 ILE 14 2HD1 ILE 14 6.224 -3.252 10.767 82 HD13 ILE 14 3HD1 ILE 14 5.343 -3.328 9.241 83 H LEU 15 H LEU 15 1.356 -2.153 8.548 84 HA LEU 15 HA LEU 15 0.175 0.166 7.335 85 HB2 LEU 15 1HB LEU 15 -0.592 -2.312 7.255 86 HB3 LEU 15 2HB LEU 15 -1.372 -1.942 8.791 87 HG LEU 15 HG LEU 15 -2.958 -1.787 6.963 88 HD11 LEU 15 1HD1 LEU 15 -2.681 -0.009 8.956 89 HD12 LEU 15 2HD1 LEU 15 -3.995 0.041 7.781 90 HD13 LEU 15 3HD1 LEU 15 -2.582 1.074 7.567 91 HD21 LEU 15 1HD2 LEU 15 -0.772 -0.576 5.608 92 HD22 LEU 15 2HD2 LEU 15 -2.107 0.576 5.649 93 HD23 LEU 15 3HD2 LEU 15 -2.351 -1.034 4.968 94 H GLN 16 H GLN 16 -0.154 2.000 8.390 95 HA GLN 16 HA GLN 16 -1.178 1.889 11.135 96 HB2 GLN 16 1HB GLN 16 1.009 3.765 10.225 97 HB3 GLN 16 2HB GLN 16 0.288 3.710 11.827 98 HG2 GLN 16 1HG GLN 16 1.381 1.781 12.407 99 HG3 GLN 16 2HG GLN 16 1.562 1.253 10.735 100 HE21 GLN 16 1HE2 GLN 16 3.367 1.923 13.189 101 HE22 GLN 16 2HE2 GLN 16 4.675 2.786 12.463 102 H LEU 17 H LEU 17 -2.989 3.020 11.316 103 HA LEU 17 HA LEU 17 -3.639 4.988 9.248 104 HB2 LEU 17 1HB LEU 17 -5.132 2.984 10.086 105 HB3 LEU 17 2HB LEU 17 -5.582 4.140 11.339 106 HG LEU 17 HG LEU 17 -7.150 4.008 9.390 107 HD11 LEU 17 1HD1 LEU 17 -6.550 6.733 9.073 108 HD12 LEU 17 2HD1 LEU 17 -6.069 6.304 10.714 109 HD13 LEU 17 3HD1 LEU 17 -7.719 6.001 10.172 110 HD21 LEU 17 1HD2 LEU 17 -6.531 4.454 7.274 111 HD22 LEU 17 2HD2 LEU 17 -4.927 4.000 7.851 112 HD23 LEU 17 3HD2 LEU 17 -5.383 5.702 7.760 113 H GLU 18 H GLU 18 -3.684 7.106 9.647 114 HA GLU 18 HA GLU 18 -3.393 7.986 12.439 115 HB2 GLU 18 1HB GLU 18 -2.433 10.063 11.485 116 HB3 GLU 18 2HB GLU 18 -1.513 8.625 11.062 117 HG2 GLU 18 1HG GLU 18 -2.503 8.601 8.855 118 HG3 GLU 18 2HG GLU 18 -3.511 9.986 9.270 119 H GLU 19 H GLU 19 -5.335 8.244 9.578 120 HA GLU 19 HA GLU 19 -6.739 10.598 10.100 121 HB2 GLU 19 1HB GLU 19 -6.781 8.926 8.059 122 HB3 GLU 19 2HB GLU 19 -8.157 8.248 8.919 123 HG2 GLU 19 1HG GLU 19 -7.908 11.137 8.121 124 HG3 GLU 19 2HG GLU 19 -8.766 9.910 7.191 125 H CYS 20 H CYS 20 -8.249 11.154 11.535 126 HA CYS 20 HA CYS 20 -9.526 9.013 13.108 127 HB2 CYS 20 1HB CYS 20 -7.727 10.574 14.221 128 HB3 CYS 20 2HB CYS 20 -9.051 11.730 14.274 129 HG CYS 20 HG CYS 20 -9.571 8.621 15.528 130 H CYS 21 H CYS 21 -9.850 12.470 12.288 131 HA CYS 21 HA CYS 21 -12.473 12.884 12.917 132 HB2 CYS 21 1HB CYS 21 -10.715 13.984 10.760 133 HB3 CYS 21 2HB CYS 21 -12.421 14.414 10.773 134 HG CYS 21 HG CYS 21 -10.945 16.490 11.938 135 H THR 22 H THR 22 -14.403 12.223 12.206 136 HA THR 22 HA THR 22 -14.508 10.213 10.132 137 HB THR 22 HB THR 22 -16.842 9.932 10.745 138 HG1 THR 22 1HG THR 22 -16.392 12.311 12.229 139 HG21 THR 22 1HG2 THR 22 -15.897 8.640 12.315 140 HG22 THR 22 2HG2 THR 22 -16.268 9.948 13.438 141 HG23 THR 22 3HG2 THR 22 -14.672 9.850 12.694 142 H HIS 23 H HIS 23 -15.818 13.466 10.663 143 HA HIS 23 HA HIS 23 -17.486 13.882 8.606 144 HB2 HIS 23 1HB HIS 23 -16.668 15.619 10.224 145 HB3 HIS 23 2HB HIS 23 -15.228 15.795 9.226 146 HD1 HIS 23 1HD HIS 23 -15.388 17.743 7.732 147 HD2 HIS 23 2HD HIS 23 -19.109 16.023 8.406 148 HE1 HIS 23 1HE HIS 23 -17.022 19.145 6.432 149 HE2 HIS 23 2HE HIS 23 -19.277 18.136 6.924 150 H ASN 24 H ASN 24 -13.942 14.067 8.291 151 HA ASN 24 HA ASN 24 -13.927 14.517 5.509 152 HB2 ASN 24 1HB ASN 24 -11.857 13.464 7.429 153 HB3 ASN 24 2HB ASN 24 -11.525 13.631 5.707 154 HD21 ASN 24 1HD2 ASN 24 -11.722 15.756 4.769 155 HD22 ASN 24 2HD2 ASN 24 -11.407 17.148 5.743 156 H ASN 25 H ASN 25 -14.163 13.190 3.824 157 HA ASN 25 HA ASN 25 -14.611 10.353 4.358 158 HB2 ASN 25 1HB ASN 25 -16.119 11.984 2.921 159 HB3 ASN 25 2HB ASN 25 -14.978 11.559 1.648 160 HD21 ASN 25 1HD2 ASN 25 -17.184 10.780 0.855 161 HD22 ASN 25 2HD2 ASN 25 -17.560 9.127 1.186 162 H SER 26 H SER 26 -11.995 10.904 4.647 163 HA SER 26 HA SER 26 -10.819 9.554 2.331 164 HB2 SER 26 1HB SER 26 -9.853 12.144 3.538 165 HB3 SER 26 2HB SER 26 -8.780 11.085 2.622 166 HG SER 26 HG SER 26 -9.896 12.803 1.414 167 H ALA 27 H ALA 27 -8.726 8.562 2.810 168 HA ALA 27 HA ALA 27 -8.330 8.039 5.681 169 HB1 ALA 27 1HB ALA 27 -8.778 5.882 5.437 170 HB2 ALA 27 2HB ALA 27 -9.254 6.196 3.768 171 HB3 ALA 27 3HB ALA 27 -7.590 5.746 4.140 172 H THR 28 H THR 28 -6.432 8.943 6.156 173 HA THR 28 HA THR 28 -4.244 8.800 4.207 174 HB THR 28 HB THR 28 -4.444 10.453 6.733 175 HG1 THR 28 1HG THR 28 -4.495 11.471 4.098 176 HG21 THR 28 1HG2 THR 28 -2.379 11.315 6.292 177 HG22 THR 28 2HG2 THR 28 -2.532 11.079 4.551 178 HG23 THR 28 3HG2 THR 28 -2.148 9.712 5.596 179 H LEU 29 H LEU 29 -2.742 7.292 4.448 180 HA LEU 29 HA LEU 29 -2.182 6.280 7.158 181 HB2 LEU 29 1HB LEU 29 -1.404 4.212 5.664 182 HB3 LEU 29 2HB LEU 29 -3.038 4.379 6.301 183 HG LEU 29 HG LEU 29 -2.467 5.479 3.596 184 HD11 LEU 29 1HD1 LEU 29 -2.827 2.544 4.180 185 HD12 LEU 29 2HD1 LEU 29 -1.389 3.309 3.505 186 HD13 LEU 29 3HD1 LEU 29 -2.891 3.287 2.581 187 HD21 LEU 29 1HD2 LEU 29 -4.839 3.888 3.923 188 HD22 LEU 29 2HD2 LEU 29 -4.683 5.599 3.524 189 HD23 LEU 29 3HD2 LEU 29 -4.715 5.086 5.212 190 H SER 30 H SER 30 -0.141 6.443 7.825 191 HA SER 30 HA SER 30 1.922 7.077 5.819 192 HB2 SER 30 1HB SER 30 3.118 8.232 7.679 193 HB3 SER 30 2HB SER 30 1.549 8.950 7.315 194 HG SER 30 HG SER 30 1.332 8.719 9.413 195 H TRP 31 H TRP 31 1.649 4.517 5.895 196 HA TRP 31 HA TRP 31 2.634 2.925 7.885 197 HB2 TRP 31 1HB TRP 31 3.439 1.401 6.049 198 HB3 TRP 31 2HB TRP 31 1.765 1.926 5.892 199 HD1 TRP 31 HD TRP 31 5.101 2.041 4.132 200 HE1 TRP 31 1HE TRP 31 4.824 3.198 1.850 201 HE3 TRP 31 3HE TRP 31 0.347 3.832 4.703 202 HZ2 TRP 31 2HZ TRP 31 2.851 4.676 0.474 203 HZ3 TRP 31 3HZ TRP 31 -0.662 5.108 2.856 204 HH2 TRP 31 HH TRP 31 0.566 5.520 0.787 205 H LYS 32 H LYS 32 4.708 1.970 8.294 206 HA LYS 32 HA LYS 32 6.986 3.634 7.449 207 HB2 LYS 32 1HB LYS 32 7.939 3.454 9.684 208 HB3 LYS 32 2HB LYS 32 6.347 4.197 9.758 209 HG2 LYS 32 1HG LYS 32 5.383 2.346 10.752 210 HG3 LYS 32 2HG LYS 32 6.652 1.256 10.187 211 HD2 LYS 32 1HD LYS 32 7.413 3.459 12.035 212 HD3 LYS 32 2HD LYS 32 6.536 2.080 12.702 213 HE2 LYS 32 1HE LYS 32 8.237 0.575 11.728 214 HE3 LYS 32 2HE LYS 32 9.128 1.986 11.159 215 HZ1 LYS 32 1HZ LYS 32 9.480 0.770 13.549 216 HZ2 LYS 32 2HZ LYS 32 8.498 2.084 13.961 217 HZ3 LYS 32 3HZ LYS 32 9.973 2.344 13.176 218 H GLN 33 H GLN 33 9.079 2.352 8.436 219 HA GLN 33 HA GLN 33 8.933 -0.273 7.138 220 HB2 GLN 33 1HB GLN 33 11.090 1.739 7.543 221 HB3 GLN 33 2HB GLN 33 11.558 0.045 7.460 222 HG2 GLN 33 1HG GLN 33 10.018 0.114 5.307 223 HG3 GLN 33 2HG GLN 33 10.459 1.820 5.359 224 HE21 GLN 33 1HE2 GLN 33 11.167 -0.493 3.555 225 HE22 GLN 33 2HE2 GLN 33 12.891 -0.445 3.461 226 HA PRO 34 HA PRO 34 9.298 -2.383 10.984 227 HB2 PRO 34 1HB PRO 34 10.325 -4.730 10.084 228 HB3 PRO 34 2HB PRO 34 8.637 -4.264 9.841 229 HG2 PRO 34 1HG PRO 34 10.946 -4.081 7.944 230 HG3 PRO 34 2HG PRO 34 9.283 -4.615 7.635 231 HD2 PRO 34 1HD PRO 34 10.162 -2.138 6.985 232 HD3 PRO 34 2HD PRO 34 8.486 -2.458 7.476 233 HA PRO 35 HA PRO 35 13.512 -1.506 12.135 234 HB2 PRO 35 1HB PRO 35 13.266 -2.242 14.736 235 HB3 PRO 35 2HB PRO 35 12.642 -0.712 14.108 236 HG2 PRO 35 1HG PRO 35 11.187 -3.272 14.648 237 HG3 PRO 35 2HG PRO 35 10.692 -1.607 15.005 238 HD2 PRO 35 1HD PRO 35 9.758 -2.978 12.865 239 HD3 PRO 35 2HD PRO 35 9.993 -1.219 12.843 240 H LEU 36 H LEU 36 12.025 -4.496 11.845 241 HA LEU 36 HA LEU 36 14.302 -6.006 12.882 242 HB2 LEU 36 1HB LEU 36 11.656 -6.909 11.756 243 HB3 LEU 36 2HB LEU 36 12.912 -7.988 12.361 244 HG LEU 36 HG LEU 36 11.350 -5.981 13.985 245 HD11 LEU 36 1HD1 LEU 36 11.020 -8.841 13.385 246 HD12 LEU 36 2HD1 LEU 36 9.832 -7.638 13.885 247 HD13 LEU 36 3HD1 LEU 36 10.876 -8.398 15.086 248 HD21 LEU 36 1HD2 LEU 36 13.380 -6.046 15.077 249 HD22 LEU 36 2HD2 LEU 36 13.703 -7.714 14.605 250 HD23 LEU 36 3HD2 LEU 36 12.512 -7.367 15.859 251 H SER 37 H SER 37 14.265 -4.301 10.379 252 HA SER 37 HA SER 37 15.620 -6.243 8.696 253 HB2 SER 37 1HB SER 37 13.066 -5.958 8.078 254 HB3 SER 37 2HB SER 37 13.643 -4.482 7.302 255 HG SER 37 HG SER 37 13.970 -7.099 6.559 256 H THR 38 H THR 38 16.910 -5.241 7.014 257 HA THR 38 HA THR 38 17.436 -2.381 7.472 258 HB THR 38 HB THR 38 19.870 -2.855 7.118 259 HG1 THR 38 1HG THR 38 20.461 -5.109 7.539 260 HG21 THR 38 1HG2 THR 38 20.288 -3.618 9.384 261 HG22 THR 38 2HG2 THR 38 18.649 -4.260 9.497 262 HG23 THR 38 3HG2 THR 38 18.908 -2.520 9.369 263 H VAL 39 H VAL 39 15.861 -3.605 5.401 264 HA VAL 39 HA VAL 39 17.556 -3.229 3.027 265 HB VAL 39 HB VAL 39 14.777 -4.402 3.105 266 HG11 VAL 39 1HG1 VAL 39 15.554 -5.375 0.909 267 HG12 VAL 39 2HG1 VAL 39 15.294 -3.630 0.926 268 HG13 VAL 39 3HG1 VAL 39 16.932 -4.279 1.009 269 HG21 VAL 39 1HG2 VAL 39 17.402 -5.886 3.033 270 HG22 VAL 39 2HG2 VAL 39 16.370 -5.735 4.456 271 HG23 VAL 39 3HG2 VAL 39 15.786 -6.593 3.030 272 HA PRO 40 HA PRO 40 15.579 0.739 2.592 273 HB2 PRO 40 1HB PRO 40 16.801 1.403 0.261 274 HB3 PRO 40 2HB PRO 40 17.611 1.493 1.830 275 HG2 PRO 40 1HG PRO 40 17.766 -0.642 -0.263 276 HG3 PRO 40 2HG PRO 40 19.069 0.076 0.701 277 HD2 PRO 40 1HD PRO 40 17.971 -2.326 1.297 278 HD3 PRO 40 2HD PRO 40 18.596 -1.227 2.543 279 H ALA 41 H ALA 41 14.009 1.690 1.256 280 HA ALA 41 HA ALA 41 12.890 -0.088 -0.813 281 HB1 ALA 41 1HB ALA 41 11.035 1.786 0.484 282 HB2 ALA 41 2HB ALA 41 10.816 0.093 0.037 283 HB3 ALA 41 3HB ALA 41 11.664 0.510 1.526 284 H ASP 42 H ASP 42 12.243 0.809 -2.726 285 HA ASP 42 HA ASP 42 13.207 3.502 -3.258 286 HB2 ASP 42 1HB ASP 42 13.544 1.360 -4.734 287 HB3 ASP 42 2HB ASP 42 11.937 1.756 -5.335 288 H GLY 43 H GLY 43 10.186 1.666 -3.346 289 HA2 GLY 43 1HA GLY 43 8.668 4.092 -2.983 290 HA3 GLY 43 2HA GLY 43 8.443 3.355 -4.562 291 H TYR 44 H TYR 44 6.252 3.612 -3.066 292 HA TYR 44 HA TYR 44 5.716 0.854 -2.193 293 HB2 TYR 44 1HB TYR 44 4.617 3.344 -0.873 294 HB3 TYR 44 2HB TYR 44 4.288 1.681 -0.400 295 HD1 TYR 44 2HD TYR 44 6.748 4.391 -0.358 296 HD2 TYR 44 1HD TYR 44 5.954 0.373 0.792 297 HE1 TYR 44 2HE TYR 44 8.685 4.448 1.157 298 HE2 TYR 44 1HE TYR 44 7.887 0.419 2.312 299 HH TYR 44 HH TYR 44 10.264 2.749 2.191 300 H ILE 45 H ILE 45 3.485 0.191 -2.383 301 HA ILE 45 HA ILE 45 1.878 1.831 -4.217 302 HB ILE 45 HB ILE 45 2.390 -1.129 -4.532 303 HG12 ILE 45 1HG1 ILE 45 2.965 0.969 -6.597 304 HG13 ILE 45 2HG1 ILE 45 4.120 0.681 -5.300 305 HG21 ILE 45 1HG2 ILE 45 0.961 0.292 -6.652 306 HG22 ILE 45 2HG2 ILE 45 0.645 -1.283 -5.928 307 HG23 ILE 45 3HG2 ILE 45 0.076 0.183 -5.131 308 HD11 ILE 45 1HD1 ILE 45 4.840 -0.620 -7.114 309 HD12 ILE 45 2HD1 ILE 45 4.077 -1.750 -5.994 310 HD13 ILE 45 3HD1 ILE 45 3.212 -1.217 -7.436 311 H LEU 46 H LEU 46 -0.107 2.129 -3.465 312 HA LEU 46 HA LEU 46 -1.100 0.372 -1.347 313 HB2 LEU 46 1HB LEU 46 -1.585 3.175 -2.166 314 HB3 LEU 46 2HB LEU 46 -2.947 2.305 -1.462 315 HG LEU 46 HG LEU 46 -0.269 2.614 -0.111 316 HD11 LEU 46 1HD1 LEU 46 -1.073 4.803 -0.216 317 HD12 LEU 46 2HD1 LEU 46 -1.622 4.218 1.354 318 HD13 LEU 46 3HD1 LEU 46 -2.749 4.297 -0.001 319 HD21 LEU 46 1HD2 LEU 46 -1.554 0.692 0.638 320 HD22 LEU 46 2HD2 LEU 46 -2.969 1.714 0.893 321 HD23 LEU 46 3HD2 LEU 46 -1.527 1.939 1.885 322 H GLU 47 H GLU 47 -3.162 -0.569 -1.417 323 HA GLU 47 HA GLU 47 -4.505 -0.559 -4.030 324 HB2 GLU 47 1HB GLU 47 -3.431 -2.894 -2.515 325 HB3 GLU 47 2HB GLU 47 -4.940 -3.097 -3.394 326 HG2 GLU 47 1HG GLU 47 -3.698 -2.165 -5.412 327 HG3 GLU 47 2HG GLU 47 -2.228 -2.428 -4.476 328 H LEU 48 H LEU 48 -6.743 -1.107 -3.975 329 HA LEU 48 HA LEU 48 -8.046 -1.441 -1.415 330 HB2 LEU 48 1HB LEU 48 -7.642 1.026 -1.692 331 HB3 LEU 48 2HB LEU 48 -8.713 0.970 -3.091 332 HG LEU 48 HG LEU 48 -10.457 0.028 -1.435 333 HD11 LEU 48 1HD1 LEU 48 -10.156 0.779 0.872 334 HD12 LEU 48 2HD1 LEU 48 -8.523 1.318 0.485 335 HD13 LEU 48 3HD1 LEU 48 -8.926 -0.397 0.408 336 HD21 LEU 48 1HD2 LEU 48 -11.137 2.292 -0.811 337 HD22 LEU 48 2HD2 LEU 48 -10.606 2.221 -2.491 338 HD23 LEU 48 3HD2 LEU 48 -9.542 2.897 -1.257 339 H ASP 49 H ASP 49 -10.212 -2.107 -1.588 340 HA ASP 49 HA ASP 49 -10.908 -3.128 -4.243 341 HB2 ASP 49 1HB ASP 49 -12.390 -4.666 -3.103 342 HB3 ASP 49 2HB ASP 49 -10.806 -4.719 -2.334 343 H ASP 50 H ASP 50 -13.301 -3.195 -4.738 344 HA ASP 50 HA ASP 50 -14.336 -0.508 -4.518 345 HB2 ASP 50 1HB ASP 50 -15.490 -2.940 -5.901 346 HB3 ASP 50 2HB ASP 50 -16.079 -1.288 -6.068 347 H GLY 51 H GLY 51 -14.252 -1.651 -2.017 348 HA2 GLY 51 1HA GLY 51 -15.531 -2.185 -0.178 349 HA3 GLY 51 2HA GLY 51 -16.711 -1.122 -0.931 350 H ASN 52 H ASN 52 -15.718 -4.029 -2.546 351 HA ASN 52 HA ASN 52 -18.409 -5.121 -2.117 352 HB2 ASN 52 1HB ASN 52 -16.427 -5.283 -4.337 353 HB3 ASN 52 2HB ASN 52 -17.490 -6.665 -4.088 354 HD21 ASN 52 1HD2 ASN 52 -18.404 -6.216 -6.140 355 HD22 ASN 52 2HD2 ASN 52 -19.573 -4.958 -6.329 356 H GLY 53 H GLY 53 -15.001 -5.830 -1.755 357 HA2 GLY 53 1HA GLY 53 -14.175 -7.291 -0.079 358 HA3 GLY 53 2HA GLY 53 -15.718 -8.132 -0.090 359 H GLY 54 H GLY 54 -13.798 -7.311 -2.932 360 HA2 GLY 54 1HA GLY 54 -13.336 -10.203 -3.332 361 HA3 GLY 54 2HA GLY 54 -13.781 -9.122 -4.644 362 H GLN 55 H GLN 55 -12.192 -8.276 -5.825 363 HA GLN 55 HA GLN 55 -9.448 -8.781 -5.009 364 HB2 GLN 55 1HB GLN 55 -8.837 -8.373 -7.258 365 HB3 GLN 55 2HB GLN 55 -10.343 -9.277 -7.330 366 HG2 GLN 55 1HG GLN 55 -11.443 -6.932 -7.471 367 HG3 GLN 55 2HG GLN 55 -9.831 -6.404 -7.949 368 HE21 GLN 55 1HE2 GLN 55 -10.400 -5.881 -10.027 369 HE22 GLN 55 2HE2 GLN 55 -10.825 -7.061 -11.214 370 H PHE 56 H PHE 56 -7.800 -7.062 -5.415 371 HA PHE 56 HA PHE 56 -8.848 -4.436 -4.586 372 HB2 PHE 56 1HB PHE 56 -6.174 -5.682 -3.915 373 HB3 PHE 56 2HB PHE 56 -6.712 -4.082 -3.414 374 HD1 PHE 56 1HD PHE 56 -8.031 -7.576 -3.326 375 HD2 PHE 56 2HD PHE 56 -7.409 -3.915 -1.245 376 HE1 PHE 56 1HE PHE 56 -9.045 -8.554 -1.308 377 HE2 PHE 56 2HE PHE 56 -8.420 -4.888 0.776 378 HZ PHE 56 HZ PHE 56 -9.239 -7.211 0.747 379 H ARG 57 H ARG 57 -7.884 -2.571 -5.445 380 HA ARG 57 HA ARG 57 -6.175 -3.018 -7.802 381 HB2 ARG 57 1HB ARG 57 -7.350 -1.176 -8.930 382 HB3 ARG 57 2HB ARG 57 -8.440 -2.499 -8.538 383 HG2 ARG 57 1HG ARG 57 -9.261 -1.259 -6.603 384 HG3 ARG 57 2HG ARG 57 -8.161 0.067 -6.988 385 HD2 ARG 57 1HD ARG 57 -10.199 -0.942 -8.951 386 HD3 ARG 57 2HD ARG 57 -10.586 0.292 -7.752 387 HE ARG 57 HE ARG 57 -9.186 0.684 -10.173 388 HH11 ARG 57 2HH1 ARG 57 -9.194 1.673 -6.835 389 HH12 ARG 57 1HH1 ARG 57 -8.472 3.216 -7.156 390 HH21 ARG 57 2HH2 ARG 57 -8.236 2.711 -10.607 391 HH22 ARG 57 1HH2 ARG 57 -7.929 3.806 -9.301 392 H GLU 58 H GLU 58 -4.702 -1.342 -8.324 393 HA GLU 58 HA GLU 58 -3.442 -0.150 -6.117 394 HB2 GLU 58 1HB GLU 58 -3.181 0.208 -9.088 395 HB3 GLU 58 2HB GLU 58 -2.265 1.219 -7.980 396 HG2 GLU 58 1HG GLU 58 -0.778 -0.470 -8.432 397 HG3 GLU 58 2HG GLU 58 -1.521 -1.029 -6.934 398 H VAL 59 H VAL 59 -3.518 1.854 -5.232 399 HA VAL 59 HA VAL 59 -5.483 3.743 -6.359 400 HB VAL 59 HB VAL 59 -5.870 4.524 -4.015 401 HG11 VAL 59 1HG1 VAL 59 -6.593 1.776 -4.941 402 HG12 VAL 59 2HG1 VAL 59 -7.125 2.342 -3.356 403 HG13 VAL 59 3HG1 VAL 59 -7.601 3.217 -4.811 404 HG21 VAL 59 1HG2 VAL 59 -4.525 3.832 -2.390 405 HG22 VAL 59 2HG2 VAL 59 -5.139 2.192 -2.602 406 HG23 VAL 59 3HG2 VAL 59 -3.715 2.723 -3.497 407 H TYR 60 H TYR 60 -2.391 3.299 -4.780 408 HA TYR 60 HA TYR 60 -1.572 5.941 -5.700 409 HB2 TYR 60 1HB TYR 60 -2.006 6.704 -3.584 410 HB3 TYR 60 2HB TYR 60 -1.795 5.118 -2.851 411 HD1 TYR 60 1HD TYR 60 0.438 4.315 -2.245 412 HD2 TYR 60 2HD TYR 60 -0.138 8.203 -3.876 413 HE1 TYR 60 1HE TYR 60 2.692 4.956 -1.499 414 HE2 TYR 60 2HE TYR 60 2.115 8.854 -3.135 415 HH TYR 60 HH TYR 60 4.130 8.015 -2.413 416 H VAL 61 H VAL 61 0.614 6.123 -6.128 417 HA VAL 61 HA VAL 61 2.418 3.967 -5.411 418 HB VAL 61 HB VAL 61 1.868 4.591 -8.316 419 HG11 VAL 61 1HG1 VAL 61 4.120 4.074 -8.266 420 HG12 VAL 61 2HG1 VAL 61 3.938 2.948 -6.919 421 HG13 VAL 61 3HG1 VAL 61 3.387 2.492 -8.532 422 HG21 VAL 61 1HG2 VAL 61 0.084 3.246 -7.636 423 HG22 VAL 61 2HG2 VAL 61 1.247 2.098 -8.300 424 HG23 VAL 61 3HG2 VAL 61 1.096 2.290 -6.553 425 H GLY 62 H GLY 62 4.283 4.869 -4.852 426 HA2 GLY 62 1HA GLY 62 5.691 6.726 -6.441 427 HA3 GLY 62 2HA GLY 62 4.867 7.588 -5.150 428 H LYS 63 H LYS 63 6.846 8.216 -4.229 429 HA LYS 63 HA LYS 63 8.212 6.046 -2.781 430 HB2 LYS 63 1HB LYS 63 10.295 7.484 -2.951 431 HB3 LYS 63 2HB LYS 63 9.770 6.706 -4.438 432 HG2 LYS 63 1HG LYS 63 8.855 9.479 -3.857 433 HG3 LYS 63 2HG LYS 63 10.505 9.212 -4.425 434 HD2 LYS 63 1HD LYS 63 9.434 7.823 -6.293 435 HD3 LYS 63 2HD LYS 63 7.914 8.580 -5.810 436 HE2 LYS 63 1HE LYS 63 8.758 10.756 -6.300 437 HE3 LYS 63 2HE LYS 63 10.393 10.136 -6.524 438 HZ1 LYS 63 1HZ LYS 63 8.968 8.701 -8.308 439 HZ2 LYS 63 2HZ LYS 63 9.847 10.099 -8.674 440 HZ3 LYS 63 3HZ LYS 63 8.185 10.200 -8.371 441 H GLU 64 H GLU 64 6.058 7.437 -1.726 442 HA GLU 64 HA GLU 64 7.337 9.232 0.230 443 HB2 GLU 64 1HB GLU 64 4.460 9.144 -0.695 444 HB3 GLU 64 2HB GLU 64 5.067 10.182 0.588 445 HG2 GLU 64 1HG GLU 64 6.325 10.303 -2.110 446 HG3 GLU 64 2HG GLU 64 4.776 11.097 -1.833 447 H THR 65 H THR 65 6.254 9.226 2.402 448 HA THR 65 HA THR 65 5.662 6.449 3.172 449 HB THR 65 HB THR 65 7.664 7.448 4.227 450 HG1 THR 65 1HG THR 65 7.163 6.619 6.191 451 HG21 THR 65 1HG2 THR 65 7.686 9.445 5.264 452 HG22 THR 65 2HG2 THR 65 6.119 9.174 6.026 453 HG23 THR 65 3HG2 THR 65 6.202 9.751 4.362 454 H MET 66 H MET 66 3.791 8.622 2.176 455 HA MET 66 HA MET 66 1.671 8.062 4.023 456 HB2 MET 66 1HB MET 66 2.860 10.003 5.086 457 HB3 MET 66 2HB MET 66 2.454 10.957 3.666 458 HG2 MET 66 1HG MET 66 0.241 11.084 4.207 459 HG3 MET 66 2HG MET 66 0.261 9.569 5.106 460 HE1 MET 66 1HE MET 66 -0.157 13.494 6.621 461 HE2 MET 66 2HE MET 66 1.418 13.658 5.846 462 HE3 MET 66 3HE MET 66 0.055 13.000 4.941 463 H CYS 67 H CYS 67 -0.296 8.176 3.051 464 HA CYS 67 HA CYS 67 -0.559 9.622 0.527 465 HB2 CYS 67 1HB CYS 67 0.118 7.416 -0.195 466 HB3 CYS 67 2HB CYS 67 -1.081 6.662 0.850 467 HG CYS 67 HG CYS 67 -1.536 8.249 -2.115 468 H THR 68 H THR 68 -2.602 10.355 0.110 469 HA THR 68 HA THR 68 -4.680 9.659 2.081 470 HB THR 68 HB THR 68 -4.329 12.376 0.805 471 HG1 THR 68 1HG THR 68 -3.063 12.872 2.433 472 HG21 THR 68 1HG2 THR 68 -6.191 11.251 2.878 473 HG22 THR 68 2HG2 THR 68 -6.584 12.143 1.409 474 HG23 THR 68 3HG2 THR 68 -5.855 12.979 2.779 475 H VAL 69 H VAL 69 -6.445 8.802 1.217 476 HA VAL 69 HA VAL 69 -6.902 9.101 -1.664 477 HB VAL 69 HB VAL 69 -6.813 6.808 -0.889 478 HG11 VAL 69 1HG1 VAL 69 -7.446 7.188 1.440 479 HG12 VAL 69 2HG1 VAL 69 -9.102 7.535 0.937 480 HG13 VAL 69 3HG1 VAL 69 -8.430 5.920 0.710 481 HG21 VAL 69 1HG2 VAL 69 -9.556 7.771 -1.670 482 HG22 VAL 69 2HG2 VAL 69 -8.286 7.142 -2.720 483 HG23 VAL 69 3HG2 VAL 69 -9.116 6.065 -1.598 484 H ASP 70 H ASP 70 -8.629 10.132 -2.479 485 HA ASP 70 HA ASP 70 -10.633 11.147 -0.570 486 HB2 ASP 70 1HB ASP 70 -9.603 13.084 -1.313 487 HB3 ASP 70 2HB ASP 70 -9.286 12.425 -2.916 488 H GLY 71 H GLY 71 -12.800 11.097 -1.142 489 HA2 GLY 71 1HA GLY 71 -14.667 10.587 -2.439 490 HA3 GLY 71 2HA GLY 71 -13.595 10.094 -3.742 491 H LEU 72 H LEU 72 -14.477 9.062 -0.444 492 HA LEU 72 HA LEU 72 -14.382 6.280 -1.407 493 HB2 LEU 72 1HB LEU 72 -13.878 7.433 1.326 494 HB3 LEU 72 2HB LEU 72 -14.095 5.709 1.031 495 HG LEU 72 HG LEU 72 -11.930 7.323 -0.298 496 HD11 LEU 72 1HD1 LEU 72 -10.702 5.794 1.620 497 HD12 LEU 72 2HD1 LEU 72 -12.125 6.408 2.460 498 HD13 LEU 72 3HD1 LEU 72 -10.990 7.531 1.714 499 HD21 LEU 72 1HD2 LEU 72 -12.764 5.005 -1.112 500 HD22 LEU 72 2HD2 LEU 72 -11.897 4.392 0.296 501 HD23 LEU 72 3HD2 LEU 72 -11.032 5.294 -0.950 502 H HIS 73 H HIS 73 -16.209 5.140 -1.389 503 HA HIS 73 HA HIS 73 -18.705 6.251 -0.915 504 HB2 HIS 73 1HB HIS 73 -17.776 3.388 -1.038 505 HB3 HIS 73 2HB HIS 73 -19.471 3.802 -0.797 506 HD1 HIS 73 1HD HIS 73 -20.536 3.275 -2.976 507 HD2 HIS 73 2HD HIS 73 -16.991 5.389 -3.444 508 HE1 HIS 73 1HE HIS 73 -20.369 3.771 -5.436 509 HE2 HIS 73 2HE HIS 73 -18.175 4.977 -5.707 510 H PHE 74 H PHE 74 -20.346 5.313 0.675 511 HA PHE 74 HA PHE 74 -19.117 5.199 3.351 512 HB2 PHE 74 1HB PHE 74 -21.580 6.592 2.355 513 HB3 PHE 74 2HB PHE 74 -21.466 6.107 4.044 514 HD1 PHE 74 1HD PHE 74 -19.061 6.753 5.107 515 HD2 PHE 74 2HD PHE 74 -21.007 8.753 1.893 516 HE1 PHE 74 1HE PHE 74 -17.782 8.795 5.608 517 HE2 PHE 74 2HE PHE 74 -19.730 10.797 2.388 518 HZ PHE 74 HZ PHE 74 -18.115 10.820 4.246 519 H ASN 75 H ASN 75 -20.857 4.302 4.987 520 HA ASN 75 HA ASN 75 -21.563 2.230 5.731 521 HB2 ASN 75 1HB ASN 75 -23.554 3.655 4.782 522 HB3 ASN 75 2HB ASN 75 -23.607 2.401 3.546 523 HD21 ASN 75 1HD2 ASN 75 -25.287 3.253 5.984 524 HD22 ASN 75 2HD2 ASN 75 -25.633 1.750 6.762 525 H SER 76 H SER 76 -19.433 1.726 4.130 526 HA SER 76 HA SER 76 -20.136 -0.861 3.026 527 HB2 SER 76 1HB SER 76 -19.055 1.395 1.353 528 HB3 SER 76 2HB SER 76 -18.735 -0.285 0.926 529 HG SER 76 HG SER 76 -20.599 -0.092 -0.046 530 H THR 77 H THR 77 -18.638 -2.303 3.569 531 HA THR 77 HA THR 77 -16.337 -1.568 5.042 532 HB THR 77 HB THR 77 -16.940 -4.245 3.771 533 HG1 THR 77 1HG THR 77 -18.442 -4.368 5.245 534 HG21 THR 77 1HG2 THR 77 -15.290 -5.169 5.072 535 HG22 THR 77 2HG2 THR 77 -15.393 -3.902 6.294 536 HG23 THR 77 3HG2 THR 77 -14.582 -3.585 4.761 537 H TYR 78 H TYR 78 -14.362 -1.031 4.383 538 HA TYR 78 HA TYR 78 -13.601 -1.658 1.605 539 HB2 TYR 78 1HB TYR 78 -13.348 0.831 3.210 540 HB3 TYR 78 2HB TYR 78 -12.017 0.439 2.126 541 HD1 TYR 78 2HD TYR 78 -12.562 0.045 -0.335 542 HD2 TYR 78 1HD TYR 78 -15.308 1.819 2.388 543 HE1 TYR 78 2HE TYR 78 -13.820 0.986 -2.226 544 HE2 TYR 78 1HE TYR 78 -16.575 2.764 0.504 545 HH TYR 78 HH TYR 78 -15.369 2.817 -2.680 546 H ASN 79 H ASN 79 -11.661 -2.600 1.244 547 HA ASN 79 HA ASN 79 -9.929 -3.057 3.584 548 HB2 ASN 79 1HB ASN 79 -10.471 -4.950 1.285 549 HB3 ASN 79 2HB ASN 79 -9.353 -5.248 2.612 550 HD21 ASN 79 1HD2 ASN 79 -11.013 -7.157 2.437 551 HD22 ASN 79 2HD2 ASN 79 -12.327 -7.055 3.555 552 H ALA 80 H ALA 80 -7.966 -2.223 3.395 553 HA ALA 80 HA ALA 80 -6.877 -1.787 0.689 554 HB1 ALA 80 1HB ALA 80 -6.197 0.296 1.223 555 HB2 ALA 80 2HB ALA 80 -7.492 0.182 2.416 556 HB3 ALA 80 3HB ALA 80 -5.824 -0.135 2.892 557 H ARG 81 H ARG 81 -4.414 -1.569 0.739 558 HA ARG 81 HA ARG 81 -2.969 -2.917 2.793 559 HB2 ARG 81 1HB ARG 81 -2.248 -4.852 1.394 560 HB3 ARG 81 2HB ARG 81 -3.944 -4.905 1.858 561 HG2 ARG 81 1HG ARG 81 -4.378 -3.811 -0.434 562 HG3 ARG 81 2HG ARG 81 -2.742 -4.348 -0.822 563 HD2 ARG 81 1HD ARG 81 -3.533 -6.648 0.028 564 HD3 ARG 81 2HD ARG 81 -5.159 -5.990 -0.154 565 HE ARG 81 HE ARG 81 -3.962 -5.490 -2.549 566 HH11 ARG 81 2HH1 ARG 81 -4.472 -8.339 -0.615 567 HH12 ARG 81 1HH1 ARG 81 -4.546 -9.409 -1.976 568 HH21 ARG 81 2HH2 ARG 81 -4.058 -6.888 -4.349 569 HH22 ARG 81 1HH2 ARG 81 -4.310 -8.582 -4.100 570 H VAL 82 H VAL 82 -0.848 -2.408 2.692 571 HA VAL 82 HA VAL 82 0.109 -1.117 0.219 572 HB VAL 82 HB VAL 82 -0.167 0.490 2.065 573 HG11 VAL 82 1HG1 VAL 82 1.039 0.350 4.093 574 HG12 VAL 82 2HG1 VAL 82 0.297 -1.234 3.858 575 HG13 VAL 82 3HG1 VAL 82 2.011 -1.000 3.509 576 HG21 VAL 82 1HG2 VAL 82 1.986 1.528 1.881 577 HG22 VAL 82 2HG2 VAL 82 2.748 -0.010 1.479 578 HG23 VAL 82 3HG2 VAL 82 1.623 0.739 0.347 579 H LYS 83 H LYS 83 2.126 -1.630 -0.533 580 HA LYS 83 HA LYS 83 3.767 -3.491 1.020 581 HB2 LYS 83 1HB LYS 83 4.105 -4.885 -1.031 582 HB3 LYS 83 2HB LYS 83 2.482 -4.970 -0.360 583 HG2 LYS 83 1HG LYS 83 1.548 -3.811 -2.113 584 HG3 LYS 83 2HG LYS 83 3.067 -3.017 -2.536 585 HD2 LYS 83 1HD LYS 83 3.890 -5.376 -3.144 586 HD3 LYS 83 2HD LYS 83 2.183 -5.827 -3.116 587 HE2 LYS 83 1HE LYS 83 1.682 -4.572 -4.965 588 HE3 LYS 83 2HE LYS 83 2.982 -3.419 -4.669 589 HZ1 LYS 83 1HZ LYS 83 2.985 -5.711 -6.325 590 HZ2 LYS 83 2HZ LYS 83 4.197 -5.855 -5.153 591 HZ3 LYS 83 3HZ LYS 83 4.164 -4.506 -6.174 592 H ALA 84 H ALA 84 5.962 -3.737 0.117 593 HA ALA 84 HA ALA 84 6.845 -1.205 -1.082 594 HB1 ALA 84 1HB ALA 84 8.387 -3.259 0.498 595 HB2 ALA 84 2HB ALA 84 9.068 -1.781 -0.183 596 HB3 ALA 84 3HB ALA 84 7.833 -1.686 1.072 597 H PHE 85 H PHE 85 8.515 -1.230 -2.695 598 HA PHE 85 HA PHE 85 9.183 -3.705 -4.009 599 HB2 PHE 85 1HB PHE 85 8.031 -3.438 -6.011 600 HB3 PHE 85 2HB PHE 85 6.837 -2.914 -4.828 601 HD1 PHE 85 1HD PHE 85 9.248 -1.774 -7.364 602 HD2 PHE 85 2HD PHE 85 6.057 -0.673 -4.772 603 HE1 PHE 85 1HE PHE 85 9.044 0.381 -8.535 604 HE2 PHE 85 2HE PHE 85 5.847 1.482 -5.939 605 HZ PHE 85 HZ PHE 85 7.341 2.011 -7.824 606 H ASN 86 H ASN 86 11.033 -3.543 -5.189 607 HA ASN 86 HA ASN 86 12.026 -0.952 -6.029 608 HB2 ASN 86 1HB ASN 86 14.173 -1.207 -4.824 609 HB3 ASN 86 2HB ASN 86 12.809 -1.031 -3.724 610 HD21 ASN 86 1HD2 ASN 86 14.149 -1.973 -2.110 611 HD22 ASN 86 2HD2 ASN 86 14.364 -3.686 -2.043 612 H LYS 87 H LYS 87 14.519 -1.450 -6.760 613 HA LYS 87 HA LYS 87 14.496 -2.695 -9.133 614 HB2 LYS 87 1HB LYS 87 16.751 -2.702 -7.124 615 HB3 LYS 87 2HB LYS 87 16.943 -3.195 -8.801 616 HG2 LYS 87 1HG LYS 87 15.889 -0.490 -8.036 617 HG3 LYS 87 2HG LYS 87 17.614 -0.824 -8.215 618 HD2 LYS 87 1HD LYS 87 17.165 -1.615 -10.527 619 HD3 LYS 87 2HD LYS 87 15.481 -1.122 -10.329 620 HE2 LYS 87 1HE LYS 87 16.326 0.747 -11.339 621 HE3 LYS 87 2HE LYS 87 16.589 1.170 -9.649 622 HZ1 LYS 87 1HZ LYS 87 18.544 0.349 -11.682 623 HZ2 LYS 87 2HZ LYS 87 18.868 0.028 -10.053 624 HZ3 LYS 87 3HZ LYS 87 18.624 1.621 -10.569 625 H THR 88 H THR 88 15.137 -4.331 -6.049 626 HA THR 88 HA THR 88 15.727 -6.866 -6.916 627 HB THR 88 HB THR 88 13.920 -6.307 -4.562 628 HG1 THR 88 1HG THR 88 15.617 -5.539 -3.526 629 HG21 THR 88 1HG2 THR 88 15.241 -8.275 -3.635 630 HG22 THR 88 2HG2 THR 88 15.802 -8.541 -5.286 631 HG23 THR 88 3HG2 THR 88 14.082 -8.638 -4.913 632 H GLY 89 H GLY 89 12.451 -6.006 -5.790 633 HA2 GLY 89 1HA GLY 89 11.140 -6.968 -8.114 634 HA3 GLY 89 2HA GLY 89 11.157 -8.213 -6.874 635 H VAL 90 H VAL 90 9.592 -8.190 -5.388 636 HA VAL 90 HA VAL 90 8.273 -5.710 -4.658 637 HB VAL 90 HB VAL 90 6.016 -7.077 -5.019 638 HG11 VAL 90 1HG1 VAL 90 6.184 -4.914 -5.886 639 HG12 VAL 90 2HG1 VAL 90 7.517 -5.348 -6.958 640 HG13 VAL 90 3HG1 VAL 90 5.884 -5.920 -7.303 641 HG21 VAL 90 1HG2 VAL 90 7.845 -8.081 -7.197 642 HG22 VAL 90 2HG2 VAL 90 7.040 -9.050 -5.962 643 HG23 VAL 90 3HG2 VAL 90 6.088 -8.238 -7.205 644 H SER 91 H SER 91 6.836 -5.956 -2.819 645 HA SER 91 HA SER 91 7.548 -8.303 -1.188 646 HB2 SER 91 1HB SER 91 7.248 -5.411 -0.550 647 HB3 SER 91 2HB SER 91 6.742 -6.567 0.682 648 HG SER 91 HG SER 91 8.802 -6.545 1.142 649 HA PRO 92 HA PRO 92 3.347 -9.482 -0.747 650 HB2 PRO 92 1HB PRO 92 3.204 -10.209 1.865 651 HB3 PRO 92 2HB PRO 92 4.060 -11.163 0.648 652 HG2 PRO 92 1HG PRO 92 5.155 -9.221 2.645 653 HG3 PRO 92 2HG PRO 92 5.782 -10.810 2.170 654 HD2 PRO 92 1HD PRO 92 6.808 -8.494 1.214 655 HD3 PRO 92 2HD PRO 92 6.769 -9.988 0.256 656 H TYR 93 H TYR 93 1.336 -8.727 -0.167 657 HA TYR 93 HA TYR 93 1.126 -6.035 0.656 658 HB2 TYR 93 1HB TYR 93 -0.982 -8.191 0.425 659 HB3 TYR 93 2HB TYR 93 -1.330 -6.487 0.697 660 HD1 TYR 93 1HD TYR 93 -0.341 -4.834 -1.073 661 HD2 TYR 93 2HD TYR 93 -0.903 -8.997 -1.747 662 HE1 TYR 93 1HE TYR 93 -0.322 -4.438 -3.500 663 HE2 TYR 93 2HE TYR 93 -0.884 -8.613 -4.176 664 HH TYR 93 HH TYR 93 -1.346 -6.723 -5.743 665 H SER 94 H SER 94 1.074 -5.166 2.615 666 HA SER 94 HA SER 94 1.466 -6.615 4.964 667 HB2 SER 94 1HB SER 94 0.852 -4.469 6.126 668 HB3 SER 94 2HB SER 94 2.085 -4.292 4.878 669 HG SER 94 HG SER 94 -0.028 -3.892 3.551 670 H LYS 95 H LYS 95 -0.134 -6.045 6.935 671 HA LYS 95 HA LYS 95 -2.278 -7.771 6.755 672 HB2 LYS 95 1HB LYS 95 -1.260 -6.876 8.862 673 HB3 LYS 95 2HB LYS 95 -2.127 -5.371 8.586 674 HG2 LYS 95 1HG LYS 95 -4.221 -6.397 8.913 675 HG3 LYS 95 2HG LYS 95 -3.529 -8.017 8.801 676 HD2 LYS 95 1HD LYS 95 -2.549 -6.178 10.933 677 HD3 LYS 95 2HD LYS 95 -4.123 -6.950 11.134 678 HE2 LYS 95 1HE LYS 95 -1.576 -8.440 10.522 679 HE3 LYS 95 2HE LYS 95 -2.210 -8.200 12.149 680 HZ1 LYS 95 1HZ LYS 95 -3.453 -9.988 11.849 681 HZ2 LYS 95 2HZ LYS 95 -2.936 -10.147 10.247 682 HZ3 LYS 95 3HZ LYS 95 -4.290 -9.200 10.608 683 H THR 96 H THR 96 -4.353 -7.645 6.109 684 HA THR 96 HA THR 96 -5.172 -5.554 4.397 685 HB THR 96 HB THR 96 -6.928 -7.636 5.709 686 HG1 THR 96 1HG THR 96 -5.087 -8.456 4.469 687 HG21 THR 96 1HG2 THR 96 -8.575 -6.574 4.640 688 HG22 THR 96 2HG2 THR 96 -7.816 -7.067 3.126 689 HG23 THR 96 3HG2 THR 96 -7.436 -5.497 3.833 690 H LEU 97 H LEU 97 -5.507 -3.553 5.151 691 HA LEU 97 HA LEU 97 -6.641 -3.091 7.767 692 HB2 LEU 97 1HB LEU 97 -4.939 -1.589 7.113 693 HB3 LEU 97 2HB LEU 97 -5.703 -1.288 5.553 694 HG LEU 97 HG LEU 97 -7.605 -0.225 6.915 695 HD11 LEU 97 1HD1 LEU 97 -6.190 0.795 9.027 696 HD12 LEU 97 2HD1 LEU 97 -5.689 -0.895 9.009 697 HD13 LEU 97 3HD1 LEU 97 -7.400 -0.484 9.123 698 HD21 LEU 97 1HD2 LEU 97 -5.394 1.575 7.355 699 HD22 LEU 97 2HD2 LEU 97 -6.718 1.681 6.194 700 HD23 LEU 97 3HD2 LEU 97 -5.260 0.774 5.790 701 H VAL 98 H VAL 98 -8.740 -2.999 8.174 702 HA VAL 98 HA VAL 98 -10.609 -2.608 5.950 703 HB VAL 98 HB VAL 98 -11.271 -3.491 8.758 704 HG11 VAL 98 1HG1 VAL 98 -12.900 -4.274 6.423 705 HG12 VAL 98 2HG1 VAL 98 -13.396 -3.819 8.054 706 HG13 VAL 98 3HG1 VAL 98 -12.957 -2.573 6.885 707 HG21 VAL 98 1HG2 VAL 98 -10.130 -4.979 6.486 708 HG22 VAL 98 2HG2 VAL 98 -10.062 -5.319 8.215 709 HG23 VAL 98 3HG2 VAL 98 -11.502 -5.741 7.289 710 H LEU 99 H LEU 99 -11.206 -0.568 5.631 711 HA LEU 99 HA LEU 99 -11.484 1.221 7.942 712 HB2 LEU 99 1HB LEU 99 -11.545 2.030 5.050 713 HB3 LEU 99 2HB LEU 99 -11.243 3.042 6.462 714 HG LEU 99 HG LEU 99 -9.109 1.636 6.757 715 HD11 LEU 99 1HD1 LEU 99 -8.290 0.910 4.417 716 HD12 LEU 99 2HD1 LEU 99 -10.006 0.827 4.020 717 HD13 LEU 99 3HD1 LEU 99 -9.354 -0.166 5.323 718 HD21 LEU 99 1HD2 LEU 99 -9.101 3.974 6.091 719 HD22 LEU 99 2HD2 LEU 99 -9.411 3.516 4.416 720 HD23 LEU 99 3HD2 LEU 99 -7.887 3.070 5.185 721 H GLN 100 H GLN 100 -13.520 0.008 8.408 722 HA GLN 100 HA GLN 100 -15.759 0.073 6.733 723 HB2 GLN 100 1HB GLN 100 -15.315 -0.274 9.655 724 HB3 GLN 100 2HB GLN 100 -16.952 0.080 9.117 725 HG2 GLN 100 1HG GLN 100 -17.140 -1.901 7.948 726 HG3 GLN 100 2HG GLN 100 -15.395 -2.109 7.817 727 HE21 GLN 100 1HE2 GLN 100 -14.229 -2.751 9.703 728 HE22 GLN 100 2HE2 GLN 100 -15.016 -3.651 10.950 729 H THR 101 H THR 101 -16.512 1.881 5.832 730 HA THR 101 HA THR 101 -16.305 4.454 7.028 731 HB THR 101 HB THR 101 -17.929 5.108 5.156 732 HG1 THR 101 1HG THR 101 -17.923 3.392 3.473 733 HG21 THR 101 1HG2 THR 101 -15.726 3.830 3.738 734 HG22 THR 101 2HG2 THR 101 -15.202 4.694 5.183 735 HG23 THR 101 3HG2 THR 101 -16.106 5.541 3.929 736 H SER 102 H SER 102 -18.170 5.879 7.454 737 HA SER 102 HA SER 102 -20.105 4.492 9.117 738 HB2 SER 102 1HB SER 102 -19.205 7.330 8.819 739 HB3 SER 102 2HB SER 102 -20.783 7.011 9.538 740 HG SER 102 HG SER 102 -18.420 6.872 10.702 741 H GLU 103 H GLU 103 -22.403 5.306 9.084 742 HA GLU 103 HA GLU 103 -23.604 4.734 6.640 743 HB2 GLU 103 1HB GLU 103 -25.670 5.332 7.645 744 HB3 GLU 103 2HB GLU 103 -24.673 4.663 8.929 745 HG2 GLU 103 1HG GLU 103 -24.046 7.095 9.440 746 HG3 GLU 103 2HG GLU 103 -25.434 7.515 8.438 747 H GLY 104 H GLY 104 -23.826 5.863 4.829 748 HA2 GLY 104 1HA GLY 104 -22.934 8.578 4.658 749 HA3 GLY 104 2HA GLY 104 -23.625 7.624 3.353 750 H SER 105 H SER 105 -26.115 7.030 4.254 751 HA SER 105 HA SER 105 -27.566 9.344 3.687 752 HB2 SER 105 1HB SER 105 -28.449 7.047 3.407 753 HB3 SER 105 2HB SER 105 -28.537 6.882 5.160 754 HG SER 105 HG SER 105 -29.819 9.035 3.888 755 H GLY 106 H GLY 106 -28.576 10.877 4.908 756 HA2 GLY 106 1HA GLY 106 -29.083 10.751 7.657 757 HA3 GLY 106 2HA GLY 106 -27.506 11.497 7.442 758 HA PRO 107 HA PRO 107 -31.242 14.427 6.583 759 HB2 PRO 107 1HB PRO 107 -31.801 15.345 9.076 760 HB3 PRO 107 2HB PRO 107 -32.624 13.956 8.357 761 HG2 PRO 107 1HG PRO 107 -30.356 14.011 10.309 762 HG3 PRO 107 2HG PRO 107 -31.796 12.976 10.296 763 HD2 PRO 107 1HD PRO 107 -29.382 12.122 9.417 764 HD3 PRO 107 2HD PRO 107 -30.910 11.547 8.720 765 H SER 108 H SER 108 -28.963 14.846 9.300 766 HA SER 108 HA SER 108 -27.430 16.822 7.981 767 HB2 SER 108 1HB SER 108 -28.076 18.723 9.559 768 HB3 SER 108 2HB SER 108 -29.228 18.343 8.280 769 HG SER 108 HG SER 108 -29.530 17.019 10.712 770 H SER 109 H SER 109 -26.081 18.092 9.745 771 HA SER 109 HA SER 109 -24.985 16.028 11.480 772 HB2 SER 109 1HB SER 109 -23.583 17.528 9.948 773 HB3 SER 109 2HB SER 109 -23.891 18.815 11.113 774 HG SER 109 HG SER 109 -22.947 16.362 12.065 775 H GLY 110 H GLY 110 -24.241 16.687 13.692 776 HA2 GLY 110 1HA GLY 110 -24.836 17.277 15.831 777 HA3 GLY 110 2HA GLY 110 -25.192 18.848 15.128 Start of MODEL 6 1 H1 GLY 1 H GLY 1 33.697 -14.287 -12.604 2 HA2 GLY 1 1HA GLY 1 30.831 -14.540 -11.932 3 HA3 GLY 1 2HA GLY 1 32.051 -14.251 -10.700 4 H SER 2 H SER 2 29.695 -12.657 -11.492 5 HA SER 2 HA SER 2 30.804 -10.279 -12.721 6 HB2 SER 2 1HB SER 2 28.062 -10.964 -11.658 7 HB3 SER 2 2HB SER 2 28.474 -9.363 -12.270 8 HG SER 2 HG SER 2 28.776 -11.764 -13.751 9 H SER 3 H SER 3 30.232 -8.128 -11.613 10 HA SER 3 HA SER 3 30.935 -8.321 -8.756 11 HB2 SER 3 1HB SER 3 31.724 -6.098 -10.653 12 HB3 SER 3 2HB SER 3 32.239 -6.293 -8.977 13 HG SER 3 HG SER 3 33.621 -7.083 -10.885 14 H GLY 4 H GLY 4 28.278 -8.166 -10.030 15 HA2 GLY 4 1HA GLY 4 27.405 -5.524 -9.044 16 HA3 GLY 4 2HA GLY 4 26.544 -6.476 -10.245 17 H SER 5 H SER 5 26.759 -5.663 -6.989 18 HA SER 5 HA SER 5 25.490 -8.072 -5.991 19 HB2 SER 5 1HB SER 5 27.174 -6.727 -4.665 20 HB3 SER 5 2HB SER 5 25.940 -5.477 -4.506 21 HG SER 5 HG SER 5 24.906 -6.668 -3.099 22 H SER 6 H SER 6 23.371 -8.352 -5.610 23 HA SER 6 HA SER 6 21.584 -6.029 -5.808 24 HB2 SER 6 1HB SER 6 20.109 -7.118 -7.315 25 HB3 SER 6 2HB SER 6 21.722 -7.368 -7.981 26 HG SER 6 HG SER 6 21.012 -9.374 -7.998 27 H GLY 7 H GLY 7 20.408 -5.892 -4.023 28 HA2 GLY 7 1HA GLY 7 20.157 -8.153 -2.240 29 HA3 GLY 7 2HA GLY 7 19.566 -6.523 -1.952 30 HA PRO 8 HA PRO 8 16.152 -9.590 -3.286 31 HB2 PRO 8 1HB PRO 8 15.102 -10.153 -0.846 32 HB3 PRO 8 2HB PRO 8 16.375 -11.127 -1.592 33 HG2 PRO 8 1HG PRO 8 16.601 -8.991 0.493 34 HG3 PRO 8 2HG PRO 8 17.416 -10.563 0.409 35 HD2 PRO 8 1HD PRO 8 18.631 -8.253 -0.308 36 HD3 PRO 8 2HD PRO 8 18.997 -9.805 -1.087 37 H VAL 9 H VAL 9 13.744 -9.383 -2.330 38 HA VAL 9 HA VAL 9 12.952 -6.721 -2.830 39 HB VAL 9 HB VAL 9 10.687 -7.475 -2.114 40 HG11 VAL 9 1HG1 VAL 9 12.236 -9.162 -4.067 41 HG12 VAL 9 2HG1 VAL 9 10.484 -9.259 -3.886 42 HG13 VAL 9 3HG1 VAL 9 11.236 -7.750 -4.404 43 HG21 VAL 9 1HG2 VAL 9 10.402 -9.902 -1.634 44 HG22 VAL 9 2HG2 VAL 9 12.155 -10.035 -1.492 45 HG23 VAL 9 3HG2 VAL 9 11.254 -9.020 -0.366 46 HA PRO 10 HA PRO 10 13.152 -4.784 1.107 47 HB2 PRO 10 1HB PRO 10 11.066 -3.057 0.925 48 HB3 PRO 10 2HB PRO 10 12.577 -2.836 0.035 49 HG2 PRO 10 1HG PRO 10 9.971 -3.969 -0.908 50 HG3 PRO 10 2HG PRO 10 11.063 -2.840 -1.731 51 HD2 PRO 10 1HD PRO 10 10.997 -5.484 -2.309 52 HD3 PRO 10 2HD PRO 10 12.483 -4.518 -2.422 53 H ALA 11 H ALA 11 12.387 -5.062 3.144 54 HA ALA 11 HA ALA 11 10.528 -7.059 3.718 55 HB1 ALA 11 1HB ALA 11 12.359 -5.668 5.166 56 HB2 ALA 11 2HB ALA 11 10.846 -5.029 5.810 57 HB3 ALA 11 3HB ALA 11 11.159 -6.764 5.851 58 H THR 12 H THR 12 8.379 -7.106 3.803 59 HA THR 12 HA THR 12 6.716 -5.146 2.846 60 HB THR 12 HB THR 12 6.025 -7.252 4.905 61 HG1 THR 12 1HG THR 12 5.788 -7.244 2.061 62 HG21 THR 12 1HG2 THR 12 4.039 -6.137 2.985 63 HG22 THR 12 2HG2 THR 12 4.440 -5.191 4.418 64 HG23 THR 12 3HG2 THR 12 3.794 -6.822 4.591 65 HA PRO 13 HA PRO 13 6.595 -2.041 5.984 66 HB2 PRO 13 1HB PRO 13 4.363 -0.746 5.142 67 HB3 PRO 13 2HB PRO 13 5.920 -0.611 4.317 68 HG2 PRO 13 1HG PRO 13 3.556 -2.314 3.633 69 HG3 PRO 13 2HG PRO 13 4.594 -1.358 2.559 70 HD2 PRO 13 1HD PRO 13 4.869 -4.037 2.848 71 HD3 PRO 13 2HD PRO 13 6.247 -2.965 2.521 72 H ILE 14 H ILE 14 4.764 -0.985 7.385 73 HA ILE 14 HA ILE 14 2.995 -3.131 8.362 74 HB ILE 14 HB ILE 14 3.969 -1.044 10.250 75 HG12 ILE 14 1HG1 ILE 14 6.062 -1.680 9.304 76 HG13 ILE 14 2HG1 ILE 14 5.905 -2.583 10.807 77 HG21 ILE 14 1HG2 ILE 14 3.197 -3.946 10.455 78 HG22 ILE 14 2HG2 ILE 14 3.857 -3.016 11.800 79 HG23 ILE 14 3HG2 ILE 14 2.321 -2.546 11.073 80 HD11 ILE 14 1HD1 ILE 14 6.377 -3.560 8.198 81 HD12 ILE 14 2HD1 ILE 14 6.226 -4.466 9.704 82 HD13 ILE 14 3HD1 ILE 14 4.798 -4.148 8.719 83 H LEU 15 H LEU 15 0.962 -2.600 7.921 84 HA LEU 15 HA LEU 15 0.102 0.070 7.445 85 HB2 LEU 15 1HB LEU 15 -1.186 -2.603 7.582 86 HB3 LEU 15 2HB LEU 15 -2.219 -1.182 7.721 87 HG LEU 15 HG LEU 15 -0.348 -1.662 5.408 88 HD11 LEU 15 1HD1 LEU 15 -1.785 -3.110 4.549 89 HD12 LEU 15 2HD1 LEU 15 -3.085 -1.928 4.690 90 HD13 LEU 15 3HD1 LEU 15 -2.747 -3.029 6.025 91 HD21 LEU 15 1HD2 LEU 15 -1.404 0.665 6.162 92 HD22 LEU 15 2HD2 LEU 15 -2.773 0.032 5.248 93 HD23 LEU 15 3HD2 LEU 15 -1.202 0.219 4.467 94 H GLN 16 H GLN 16 -0.197 1.552 8.963 95 HA GLN 16 HA GLN 16 -1.451 0.737 11.495 96 HB2 GLN 16 1HB GLN 16 0.727 2.816 11.280 97 HB3 GLN 16 2HB GLN 16 -0.009 2.193 12.751 98 HG2 GLN 16 1HG GLN 16 1.371 0.299 10.918 99 HG3 GLN 16 2HG GLN 16 2.336 1.355 11.949 100 HE21 GLN 16 1HE2 GLN 16 0.385 -1.438 11.780 101 HE22 GLN 16 2HE2 GLN 16 0.472 -1.882 13.447 102 H LEU 17 H LEU 17 -3.462 1.515 11.036 103 HA LEU 17 HA LEU 17 -4.068 3.889 9.697 104 HB2 LEU 17 1HB LEU 17 -5.562 1.887 10.439 105 HB3 LEU 17 2HB LEU 17 -5.812 2.853 11.892 106 HG LEU 17 HG LEU 17 -7.650 3.377 10.579 107 HD11 LEU 17 1HD1 LEU 17 -5.767 5.508 9.629 108 HD12 LEU 17 2HD1 LEU 17 -6.217 5.360 11.327 109 HD13 LEU 17 3HD1 LEU 17 -7.458 5.654 10.109 110 HD21 LEU 17 1HD2 LEU 17 -7.093 4.144 8.090 111 HD22 LEU 17 2HD2 LEU 17 -7.433 2.465 8.511 112 HD23 LEU 17 3HD2 LEU 17 -5.765 3.008 8.324 113 H GLU 18 H GLU 18 -3.106 5.745 10.319 114 HA GLU 18 HA GLU 18 -2.849 6.455 13.104 115 HB2 GLU 18 1HB GLU 18 -1.967 7.605 10.507 116 HB3 GLU 18 2HB GLU 18 -2.133 8.712 11.863 117 HG2 GLU 18 1HG GLU 18 -0.714 6.905 13.115 118 HG3 GLU 18 2HG GLU 18 -0.237 6.452 11.480 119 H GLU 19 H GLU 19 -4.585 7.785 10.292 120 HA GLU 19 HA GLU 19 -5.863 9.927 11.261 121 HB2 GLU 19 1HB GLU 19 -6.300 9.106 9.027 122 HB3 GLU 19 2HB GLU 19 -7.128 7.693 9.668 123 HG2 GLU 19 1HG GLU 19 -8.133 10.417 10.342 124 HG3 GLU 19 2HG GLU 19 -8.485 9.719 8.762 125 H CYS 20 H CYS 20 -7.174 10.441 12.889 126 HA CYS 20 HA CYS 20 -8.662 8.279 14.226 127 HB2 CYS 20 1HB CYS 20 -6.550 9.316 15.406 128 HB3 CYS 20 2HB CYS 20 -7.656 10.632 15.779 129 HG CYS 20 HG CYS 20 -8.833 9.502 17.766 130 H CYS 21 H CYS 21 -8.452 11.776 13.668 131 HA CYS 21 HA CYS 21 -11.389 11.874 13.724 132 HB2 CYS 21 1HB CYS 21 -9.468 13.762 15.086 133 HB3 CYS 21 2HB CYS 21 -11.142 14.189 14.752 134 HG CYS 21 HG CYS 21 -10.926 13.499 17.448 135 H THR 22 H THR 22 -11.811 12.148 11.612 136 HA THR 22 HA THR 22 -10.447 14.366 10.228 137 HB THR 22 HB THR 22 -11.531 11.825 8.997 138 HG1 THR 22 1HG THR 22 -9.351 12.006 10.211 139 HG21 THR 22 1HG2 THR 22 -9.907 13.143 7.163 140 HG22 THR 22 2HG2 THR 22 -10.897 14.419 7.871 141 HG23 THR 22 3HG2 THR 22 -11.666 13.023 7.116 142 H HIS 23 H HIS 23 -13.466 12.508 10.445 143 HA HIS 23 HA HIS 23 -15.643 13.103 10.160 144 HB2 HIS 23 1HB HIS 23 -14.811 15.004 11.694 145 HB3 HIS 23 2HB HIS 23 -14.811 15.995 10.238 146 HD1 HIS 23 1HD HIS 23 -16.679 16.588 12.644 147 HD2 HIS 23 2HD HIS 23 -17.768 14.403 9.283 148 HE1 HIS 23 1HE HIS 23 -19.186 16.751 12.519 149 HE2 HIS 23 2HE HIS 23 -19.828 15.351 10.527 150 H ASN 24 H ASN 24 -14.189 12.548 7.866 151 HA ASN 24 HA ASN 24 -15.789 13.906 5.894 152 HB2 ASN 24 1HB ASN 24 -13.716 15.360 6.277 153 HB3 ASN 24 2HB ASN 24 -12.799 14.053 5.534 154 HD21 ASN 24 1HD2 ASN 24 -15.921 15.594 4.842 155 HD22 ASN 24 2HD2 ASN 24 -15.570 15.948 3.187 156 H ASN 25 H ASN 25 -15.239 13.037 3.641 157 HA ASN 25 HA ASN 25 -15.050 10.153 3.860 158 HB2 ASN 25 1HB ASN 25 -15.620 10.223 1.410 159 HB3 ASN 25 2HB ASN 25 -16.812 10.985 2.459 160 HD21 ASN 25 1HD2 ASN 25 -17.644 12.317 0.905 161 HD22 ASN 25 2HD2 ASN 25 -16.767 13.641 0.225 162 H SER 26 H SER 26 -12.695 10.590 4.559 163 HA SER 26 HA SER 26 -11.022 10.029 2.246 164 HB2 SER 26 1HB SER 26 -10.686 12.380 2.330 165 HB3 SER 26 2HB SER 26 -10.583 12.378 4.091 166 HG SER 26 HG SER 26 -8.624 11.191 3.878 167 H ALA 27 H ALA 27 -9.021 9.020 2.785 168 HA ALA 27 HA ALA 27 -8.826 8.085 5.569 169 HB1 ALA 27 1HB ALA 27 -9.021 5.941 5.003 170 HB2 ALA 27 2HB ALA 27 -9.596 6.501 3.432 171 HB3 ALA 27 3HB ALA 27 -7.890 6.117 3.661 172 H THR 28 H THR 28 -6.896 8.428 6.446 173 HA THR 28 HA THR 28 -4.673 9.192 4.704 174 HB THR 28 HB THR 28 -4.760 9.377 7.716 175 HG1 THR 28 1HG THR 28 -5.466 11.513 7.400 176 HG21 THR 28 1HG2 THR 28 -3.237 11.436 6.607 177 HG22 THR 28 2HG2 THR 28 -2.807 10.000 5.678 178 HG23 THR 28 3HG2 THR 28 -2.636 10.000 7.433 179 H LEU 29 H LEU 29 -3.109 7.799 4.249 180 HA LEU 29 HA LEU 29 -2.741 5.471 6.011 181 HB2 LEU 29 1HB LEU 29 -2.632 5.852 3.083 182 HB3 LEU 29 2HB LEU 29 -1.439 4.755 3.775 183 HG LEU 29 HG LEU 29 -3.545 3.688 2.896 184 HD11 LEU 29 1HD1 LEU 29 -3.584 2.918 5.700 185 HD12 LEU 29 2HD1 LEU 29 -1.952 3.053 5.046 186 HD13 LEU 29 3HD1 LEU 29 -3.127 1.988 4.273 187 HD21 LEU 29 1HD2 LEU 29 -5.480 4.602 3.500 188 HD22 LEU 29 2HD2 LEU 29 -4.701 5.589 4.738 189 HD23 LEU 29 3HD2 LEU 29 -5.207 3.941 5.113 190 H SER 30 H SER 30 -0.900 5.295 7.104 191 HA SER 30 HA SER 30 1.473 6.733 6.128 192 HB2 SER 30 1HB SER 30 2.008 7.493 8.355 193 HB3 SER 30 2HB SER 30 0.355 7.988 7.991 194 HG SER 30 HG SER 30 1.297 6.135 9.830 195 H TRP 31 H TRP 31 1.756 4.441 5.325 196 HA TRP 31 HA TRP 31 2.226 2.284 7.040 197 HB2 TRP 31 1HB TRP 31 3.619 1.388 5.129 198 HB3 TRP 31 2HB TRP 31 1.974 1.855 4.708 199 HD1 TRP 31 HD TRP 31 5.596 2.696 3.989 200 HE1 TRP 31 1HE TRP 31 5.700 4.427 2.087 201 HE3 TRP 31 3HE TRP 31 0.629 3.868 3.683 202 HZ2 TRP 31 2HZ TRP 31 3.914 6.072 0.648 203 HZ3 TRP 31 3HZ TRP 31 -0.090 5.531 2.018 204 HH2 TRP 31 HH TRP 31 1.520 6.609 0.533 205 H LYS 32 H LYS 32 4.279 1.272 7.591 206 HA LYS 32 HA LYS 32 6.590 3.050 7.713 207 HB2 LYS 32 1HB LYS 32 6.873 2.899 10.061 208 HB3 LYS 32 2HB LYS 32 5.190 3.344 9.808 209 HG2 LYS 32 1HG LYS 32 4.908 1.720 11.364 210 HG3 LYS 32 2HG LYS 32 4.863 0.720 9.911 211 HD2 LYS 32 1HD LYS 32 6.946 -0.164 10.291 212 HD3 LYS 32 2HD LYS 32 7.498 1.247 11.196 213 HE2 LYS 32 1HE LYS 32 5.753 0.516 12.952 214 HE3 LYS 32 2HE LYS 32 5.779 -1.033 12.110 215 HZ1 LYS 32 1HZ LYS 32 7.364 -1.286 13.755 216 HZ2 LYS 32 2HZ LYS 32 7.949 0.294 13.601 217 HZ3 LYS 32 3HZ LYS 32 8.306 -0.860 12.416 218 H GLN 33 H GLN 33 8.574 1.937 8.299 219 HA GLN 33 HA GLN 33 8.622 -0.737 7.203 220 HB2 GLN 33 1HB GLN 33 10.643 1.331 7.895 221 HB3 GLN 33 2HB GLN 33 11.175 -0.346 7.890 222 HG2 GLN 33 1HG GLN 33 9.670 0.746 5.556 223 HG3 GLN 33 2HG GLN 33 11.388 1.093 5.744 224 HE21 GLN 33 1HE2 GLN 33 9.325 -0.864 4.224 225 HE22 GLN 33 2HE2 GLN 33 10.295 -2.284 4.059 226 HA PRO 34 HA PRO 34 8.569 -2.927 11.018 227 HB2 PRO 34 1HB PRO 34 9.852 -5.192 10.244 228 HB3 PRO 34 2HB PRO 34 8.194 -4.813 9.759 229 HG2 PRO 34 1HG PRO 34 10.743 -4.458 8.230 230 HG3 PRO 34 2HG PRO 34 9.178 -5.075 7.669 231 HD2 PRO 34 1HD PRO 34 9.998 -2.538 7.196 232 HD3 PRO 34 2HD PRO 34 8.290 -2.962 7.427 233 HA PRO 35 HA PRO 35 12.391 -2.295 13.109 234 HB2 PRO 35 1HB PRO 35 12.221 -4.180 15.056 235 HB3 PRO 35 2HB PRO 35 11.247 -2.705 15.059 236 HG2 PRO 35 1HG PRO 35 10.496 -5.470 14.191 237 HG3 PRO 35 2HG PRO 35 9.562 -4.305 15.147 238 HD2 PRO 35 1HD PRO 35 9.128 -4.701 12.504 239 HD3 PRO 35 2HD PRO 35 8.890 -3.124 13.285 240 H LEU 36 H LEU 36 11.669 -5.257 11.552 241 HA LEU 36 HA LEU 36 14.450 -6.171 11.869 242 HB2 LEU 36 1HB LEU 36 11.931 -7.683 11.219 243 HB3 LEU 36 2HB LEU 36 13.543 -8.378 11.063 244 HG LEU 36 HG LEU 36 12.349 -7.362 13.641 245 HD11 LEU 36 1HD1 LEU 36 11.091 -9.249 13.224 246 HD12 LEU 36 2HD1 LEU 36 12.457 -9.914 14.119 247 HD13 LEU 36 3HD1 LEU 36 12.399 -10.061 12.363 248 HD21 LEU 36 1HD2 LEU 36 14.800 -7.260 13.532 249 HD22 LEU 36 2HD2 LEU 36 14.845 -8.971 13.107 250 HD23 LEU 36 3HD2 LEU 36 14.239 -8.470 14.687 251 H SER 37 H SER 37 13.664 -4.103 10.040 252 HA SER 37 HA SER 37 13.607 -5.320 7.409 253 HB2 SER 37 1HB SER 37 13.703 -2.899 6.647 254 HB3 SER 37 2HB SER 37 12.299 -3.335 7.621 255 HG SER 37 HG SER 37 14.556 -2.376 8.951 256 H THR 38 H THR 38 15.290 -5.560 6.055 257 HA THR 38 HA THR 38 17.889 -4.438 6.877 258 HB THR 38 HB THR 38 17.487 -7.150 5.603 259 HG1 THR 38 1HG THR 38 18.024 -7.944 7.684 260 HG21 THR 38 1HG2 THR 38 19.723 -5.522 5.636 261 HG22 THR 38 2HG2 THR 38 19.711 -7.266 5.370 262 HG23 THR 38 3HG2 THR 38 19.991 -6.622 6.988 263 H VAL 39 H VAL 39 15.688 -5.249 4.308 264 HA VAL 39 HA VAL 39 17.559 -4.228 2.293 265 HB VAL 39 HB VAL 39 14.866 -5.515 1.835 266 HG11 VAL 39 1HG1 VAL 39 16.733 -4.173 0.126 267 HG12 VAL 39 2HG1 VAL 39 16.602 -5.868 -0.346 268 HG13 VAL 39 3HG1 VAL 39 15.157 -4.860 -0.266 269 HG21 VAL 39 1HG2 VAL 39 16.988 -6.804 2.910 270 HG22 VAL 39 2HG2 VAL 39 15.785 -7.572 1.873 271 HG23 VAL 39 3HG2 VAL 39 17.312 -7.016 1.189 272 HA PRO 40 HA PRO 40 15.397 -0.337 2.519 273 HB2 PRO 40 1HB PRO 40 16.825 0.883 0.559 274 HB3 PRO 40 2HB PRO 40 17.449 0.645 2.196 275 HG2 PRO 40 1HG PRO 40 17.969 -0.953 -0.281 276 HG3 PRO 40 2HG PRO 40 19.110 -0.424 0.969 277 HD2 PRO 40 1HD PRO 40 18.108 -2.938 0.881 278 HD3 PRO 40 2HD PRO 40 18.520 -2.127 2.406 279 H ALA 41 H ALA 41 13.658 0.470 1.476 280 HA ALA 41 HA ALA 41 12.886 -0.805 -1.044 281 HB1 ALA 41 1HB ALA 41 11.144 -1.019 0.477 282 HB2 ALA 41 2HB ALA 41 11.363 0.614 1.109 283 HB3 ALA 41 3HB ALA 41 10.659 0.374 -0.490 284 H ASP 42 H ASP 42 12.022 0.447 -2.788 285 HA ASP 42 HA ASP 42 13.258 3.106 -2.965 286 HB2 ASP 42 1HB ASP 42 13.921 1.386 -4.649 287 HB3 ASP 42 2HB ASP 42 12.252 1.349 -5.211 288 H GLY 43 H GLY 43 10.223 1.390 -3.217 289 HA2 GLY 43 1HA GLY 43 8.791 3.906 -3.029 290 HA3 GLY 43 2HA GLY 43 8.514 3.005 -4.512 291 H TYR 44 H TYR 44 6.293 3.349 -3.303 292 HA TYR 44 HA TYR 44 5.677 0.760 -2.104 293 HB2 TYR 44 1HB TYR 44 4.828 3.375 -0.841 294 HB3 TYR 44 2HB TYR 44 4.379 1.764 -0.291 295 HD1 TYR 44 2HD TYR 44 7.407 3.848 -0.948 296 HD2 TYR 44 1HD TYR 44 5.630 0.761 1.381 297 HE1 TYR 44 2HE TYR 44 9.404 3.788 0.486 298 HE2 TYR 44 1HE TYR 44 7.622 0.694 2.821 299 HH TYR 44 HH TYR 44 9.855 1.319 2.907 300 H ILE 45 H ILE 45 3.784 -0.056 -2.788 301 HA ILE 45 HA ILE 45 2.074 1.699 -4.422 302 HB ILE 45 HB ILE 45 2.520 -1.280 -4.588 303 HG12 ILE 45 1HG1 ILE 45 2.859 0.680 -6.829 304 HG13 ILE 45 2HG1 ILE 45 4.125 0.526 -5.616 305 HG21 ILE 45 1HG2 ILE 45 0.615 0.407 -6.204 306 HG22 ILE 45 2HG2 ILE 45 0.914 -1.319 -6.401 307 HG23 ILE 45 3HG2 ILE 45 0.149 -0.719 -4.930 308 HD11 ILE 45 1HD1 ILE 45 3.479 -2.085 -6.386 309 HD12 ILE 45 2HD1 ILE 45 3.560 -1.136 -7.871 310 HD13 ILE 45 3HD1 ILE 45 4.937 -1.171 -6.770 311 H LEU 46 H LEU 46 0.045 2.055 -3.794 312 HA LEU 46 HA LEU 46 -0.967 0.595 -1.471 313 HB2 LEU 46 1HB LEU 46 -1.499 3.248 -2.695 314 HB3 LEU 46 2HB LEU 46 -2.811 2.474 -1.808 315 HG LEU 46 HG LEU 46 -0.090 3.074 -0.651 316 HD11 LEU 46 1HD1 LEU 46 -1.655 5.036 -1.337 317 HD12 LEU 46 2HD1 LEU 46 -0.906 5.027 0.260 318 HD13 LEU 46 3HD1 LEU 46 -2.590 4.537 0.073 319 HD21 LEU 46 1HD2 LEU 46 -1.690 2.822 1.456 320 HD22 LEU 46 2HD2 LEU 46 -0.860 1.444 0.733 321 HD23 LEU 46 3HD2 LEU 46 -2.553 1.758 0.345 322 H GLU 47 H GLU 47 -3.065 -0.302 -1.422 323 HA GLU 47 HA GLU 47 -4.487 -0.561 -3.956 324 HB2 GLU 47 1HB GLU 47 -3.266 -2.840 -2.424 325 HB3 GLU 47 2HB GLU 47 -4.692 -3.087 -3.422 326 HG2 GLU 47 1HG GLU 47 -2.358 -1.721 -4.641 327 HG3 GLU 47 2HG GLU 47 -2.254 -3.456 -4.353 328 H LEU 48 H LEU 48 -6.653 -0.652 -3.716 329 HA LEU 48 HA LEU 48 -7.802 -1.378 -1.137 330 HB2 LEU 48 1HB LEU 48 -7.485 0.976 -0.873 331 HB3 LEU 48 2HB LEU 48 -8.170 1.299 -2.464 332 HG LEU 48 HG LEU 48 -10.351 0.355 -1.528 333 HD11 LEU 48 1HD1 LEU 48 -10.053 -0.658 0.459 334 HD12 LEU 48 2HD1 LEU 48 -10.233 0.978 1.091 335 HD13 LEU 48 3HD1 LEU 48 -8.624 0.297 0.854 336 HD21 LEU 48 1HD2 LEU 48 -10.498 2.600 -1.870 337 HD22 LEU 48 2HD2 LEU 48 -9.068 2.957 -0.900 338 HD23 LEU 48 3HD2 LEU 48 -10.600 2.583 -0.109 339 H ASP 49 H ASP 49 -10.025 -1.911 -1.229 340 HA ASP 49 HA ASP 49 -10.901 -2.676 -3.913 341 HB2 ASP 49 1HB ASP 49 -11.445 -3.663 -1.158 342 HB3 ASP 49 2HB ASP 49 -12.726 -3.848 -2.353 343 H ASP 50 H ASP 50 -13.266 -2.519 -4.373 344 HA ASP 50 HA ASP 50 -14.152 0.180 -3.810 345 HB2 ASP 50 1HB ASP 50 -16.115 -0.698 -5.348 346 HB3 ASP 50 2HB ASP 50 -14.549 -0.273 -6.032 347 H GLY 51 H GLY 51 -14.148 -1.664 -1.592 348 HA2 GLY 51 1HA GLY 51 -15.490 -2.326 0.149 349 HA3 GLY 51 2HA GLY 51 -16.563 -1.038 -0.377 350 H ASN 52 H ASN 52 -15.888 -3.540 -2.638 351 HA ASN 52 HA ASN 52 -18.623 -4.551 -2.281 352 HB2 ASN 52 1HB ASN 52 -16.774 -4.429 -4.652 353 HB3 ASN 52 2HB ASN 52 -18.161 -5.514 -4.636 354 HD21 ASN 52 1HD2 ASN 52 -20.272 -4.555 -4.308 355 HD22 ASN 52 2HD2 ASN 52 -20.569 -2.954 -4.887 356 H GLY 53 H GLY 53 -15.286 -5.446 -2.155 357 HA2 GLY 53 1HA GLY 53 -14.494 -7.355 -1.016 358 HA3 GLY 53 2HA GLY 53 -16.065 -8.110 -1.237 359 H GLY 54 H GLY 54 -14.405 -6.574 -3.892 360 HA2 GLY 54 1HA GLY 54 -14.226 -9.186 -5.207 361 HA3 GLY 54 2HA GLY 54 -14.140 -7.620 -6.000 362 H GLN 55 H GLN 55 -12.211 -7.169 -6.800 363 HA GLN 55 HA GLN 55 -9.845 -8.337 -5.495 364 HB2 GLN 55 1HB GLN 55 -8.726 -8.035 -7.699 365 HB3 GLN 55 2HB GLN 55 -10.090 -9.144 -7.749 366 HG2 GLN 55 1HG GLN 55 -10.481 -6.269 -8.444 367 HG3 GLN 55 2HG GLN 55 -9.782 -7.378 -9.621 368 HE21 GLN 55 1HE2 GLN 55 -12.043 -6.232 -10.345 369 HE22 GLN 55 2HE2 GLN 55 -13.377 -7.326 -10.252 370 H PHE 56 H PHE 56 -8.138 -7.063 -4.925 371 HA PHE 56 HA PHE 56 -8.657 -4.277 -4.554 372 HB2 PHE 56 1HB PHE 56 -6.111 -5.848 -4.097 373 HB3 PHE 56 2HB PHE 56 -6.435 -4.221 -3.506 374 HD1 PHE 56 1HD PHE 56 -7.533 -7.746 -3.258 375 HD2 PHE 56 2HD PHE 56 -7.577 -3.874 -1.491 376 HE1 PHE 56 1HE PHE 56 -8.526 -8.693 -1.216 377 HE2 PHE 56 2HE PHE 56 -8.569 -4.815 0.554 378 HZ PHE 56 HZ PHE 56 -9.045 -7.227 0.694 379 H ARG 57 H ARG 57 -7.849 -2.535 -5.616 380 HA ARG 57 HA ARG 57 -6.114 -3.065 -7.938 381 HB2 ARG 57 1HB ARG 57 -7.306 -1.240 -9.119 382 HB3 ARG 57 2HB ARG 57 -8.349 -2.604 -8.739 383 HG2 ARG 57 1HG ARG 57 -8.249 -0.354 -6.808 384 HG3 ARG 57 2HG ARG 57 -9.103 -0.109 -8.333 385 HD2 ARG 57 1HD ARG 57 -10.142 -2.463 -7.689 386 HD3 ARG 57 2HD ARG 57 -9.734 -1.917 -6.063 387 HE ARG 57 HE ARG 57 -11.892 -1.012 -7.654 388 HH11 ARG 57 2HH1 ARG 57 -9.494 0.110 -5.394 389 HH12 ARG 57 1HH1 ARG 57 -10.458 1.434 -4.828 390 HH21 ARG 57 2HH2 ARG 57 -13.170 0.727 -6.918 391 HH22 ARG 57 1HH2 ARG 57 -12.549 1.783 -5.695 392 H GLU 58 H GLU 58 -4.619 -1.443 -8.498 393 HA GLU 58 HA GLU 58 -3.352 -0.156 -6.378 394 HB2 GLU 58 1HB GLU 58 -3.195 0.189 -9.359 395 HB3 GLU 58 2HB GLU 58 -2.251 1.207 -8.281 396 HG2 GLU 58 1HG GLU 58 -0.731 -0.427 -8.671 397 HG3 GLU 58 2HG GLU 58 -1.543 -1.123 -7.270 398 H VAL 59 H VAL 59 -3.500 1.817 -5.464 399 HA VAL 59 HA VAL 59 -5.508 3.673 -6.570 400 HB VAL 59 HB VAL 59 -5.860 4.455 -4.220 401 HG11 VAL 59 1HG1 VAL 59 -7.581 3.022 -3.978 402 HG12 VAL 59 2HG1 VAL 59 -7.054 2.432 -5.555 403 HG13 VAL 59 3HG1 VAL 59 -6.549 1.597 -4.085 404 HG21 VAL 59 1HG2 VAL 59 -5.044 2.133 -2.828 405 HG22 VAL 59 2HG2 VAL 59 -3.652 2.715 -3.742 406 HG23 VAL 59 3HG2 VAL 59 -4.478 3.790 -2.614 407 H TYR 60 H TYR 60 -2.311 3.244 -5.335 408 HA TYR 60 HA TYR 60 -1.568 5.886 -6.224 409 HB2 TYR 60 1HB TYR 60 -2.019 6.733 -4.140 410 HB3 TYR 60 2HB TYR 60 -1.761 5.188 -3.336 411 HD1 TYR 60 2HD TYR 60 -0.131 8.203 -4.650 412 HD2 TYR 60 1HD TYR 60 0.435 4.529 -2.580 413 HE1 TYR 60 2HE TYR 60 2.110 8.944 -3.960 414 HE2 TYR 60 1HE TYR 60 2.677 5.261 -1.883 415 HH TYR 60 HH TYR 60 4.167 6.904 -1.903 416 H VAL 61 H VAL 61 0.746 6.197 -6.285 417 HA VAL 61 HA VAL 61 2.470 3.964 -5.665 418 HB VAL 61 HB VAL 61 2.170 4.808 -8.550 419 HG11 VAL 61 1HG1 VAL 61 3.807 3.201 -9.075 420 HG12 VAL 61 2HG1 VAL 61 4.448 4.080 -7.685 421 HG13 VAL 61 3HG1 VAL 61 3.734 2.482 -7.466 422 HG21 VAL 61 1HG2 VAL 61 0.244 3.512 -7.892 423 HG22 VAL 61 2HG2 VAL 61 1.295 2.518 -8.900 424 HG23 VAL 61 3HG2 VAL 61 1.276 2.289 -7.151 425 H GLY 62 H GLY 62 4.363 4.750 -5.012 426 HA2 GLY 62 1HA GLY 62 5.868 6.707 -6.335 427 HA3 GLY 62 2HA GLY 62 4.958 7.503 -5.060 428 H LYS 63 H LYS 63 6.869 8.051 -3.961 429 HA LYS 63 HA LYS 63 8.054 5.797 -2.489 430 HB2 LYS 63 1HB LYS 63 10.232 7.070 -2.533 431 HB3 LYS 63 2HB LYS 63 9.733 6.378 -4.072 432 HG2 LYS 63 1HG LYS 63 10.393 8.460 -4.736 433 HG3 LYS 63 2HG LYS 63 8.676 8.747 -4.442 434 HD2 LYS 63 1HD LYS 63 9.077 9.879 -2.453 435 HD3 LYS 63 2HD LYS 63 10.677 9.161 -2.253 436 HE2 LYS 63 1HE LYS 63 11.636 10.566 -3.853 437 HE3 LYS 63 2HE LYS 63 10.074 10.982 -4.557 438 HZ1 LYS 63 1HZ LYS 63 11.490 12.355 -2.585 439 HZ2 LYS 63 2HZ LYS 63 10.084 11.755 -1.860 440 HZ3 LYS 63 3HZ LYS 63 9.975 12.736 -3.235 441 H GLU 64 H GLU 64 5.917 7.637 -1.774 442 HA GLU 64 HA GLU 64 7.118 9.416 0.193 443 HB2 GLU 64 1HB GLU 64 4.315 8.982 -0.802 444 HB3 GLU 64 2HB GLU 64 4.622 9.907 0.661 445 HG2 GLU 64 1HG GLU 64 5.970 10.568 -1.932 446 HG3 GLU 64 2HG GLU 64 4.369 11.186 -1.527 447 H THR 65 H THR 65 5.804 9.454 2.369 448 HA THR 65 HA THR 65 5.705 6.680 3.364 449 HB THR 65 HB THR 65 6.355 7.594 5.581 450 HG1 THR 65 1HG THR 65 7.375 9.803 5.344 451 HG21 THR 65 1HG2 THR 65 8.012 6.690 3.905 452 HG22 THR 65 2HG2 THR 65 8.681 7.796 5.106 453 HG23 THR 65 3HG2 THR 65 8.362 8.361 3.466 454 H MET 66 H MET 66 3.872 9.389 2.731 455 HA MET 66 HA MET 66 1.672 8.348 4.324 456 HB2 MET 66 1HB MET 66 2.982 10.197 5.597 457 HB3 MET 66 2HB MET 66 2.216 11.297 4.460 458 HG2 MET 66 1HG MET 66 0.075 10.818 5.259 459 HG3 MET 66 2HG MET 66 0.613 9.354 6.078 460 HE1 MET 66 1HE MET 66 -1.118 12.052 7.724 461 HE2 MET 66 2HE MET 66 0.027 13.393 7.721 462 HE3 MET 66 3HE MET 66 -0.477 12.661 6.198 463 H CYS 67 H CYS 67 -0.015 8.178 3.015 464 HA CYS 67 HA CYS 67 -0.463 10.260 0.993 465 HB2 CYS 67 1HB CYS 67 0.520 8.482 -0.262 466 HB3 CYS 67 2HB CYS 67 -0.469 7.274 0.550 467 HG CYS 67 HG CYS 67 -1.368 7.492 -2.074 468 H THR 68 H THR 68 -2.563 10.833 0.675 469 HA THR 68 HA THR 68 -4.597 9.353 2.213 470 HB THR 68 HB THR 68 -4.463 12.350 1.824 471 HG1 THR 68 1HG THR 68 -4.306 12.088 4.265 472 HG21 THR 68 1HG2 THR 68 -6.326 12.284 3.544 473 HG22 THR 68 2HG2 THR 68 -6.455 10.559 3.201 474 HG23 THR 68 3HG2 THR 68 -6.750 11.737 1.923 475 H VAL 69 H VAL 69 -6.469 8.879 1.196 476 HA VAL 69 HA VAL 69 -6.678 9.642 -1.626 477 HB VAL 69 HB VAL 69 -6.751 7.217 -0.982 478 HG11 VAL 69 1HG1 VAL 69 -8.168 7.721 1.087 479 HG12 VAL 69 2HG1 VAL 69 -9.543 7.751 -0.019 480 HG13 VAL 69 3HG1 VAL 69 -8.576 6.285 0.148 481 HG21 VAL 69 1HG2 VAL 69 -9.367 7.488 -2.183 482 HG22 VAL 69 2HG2 VAL 69 -8.212 8.619 -2.888 483 HG23 VAL 69 3HG2 VAL 69 -7.864 6.890 -2.884 484 H ASP 70 H ASP 70 -8.573 10.494 -2.504 485 HA ASP 70 HA ASP 70 -10.465 11.607 -0.536 486 HB2 ASP 70 1HB ASP 70 -9.501 13.538 -1.319 487 HB3 ASP 70 2HB ASP 70 -9.109 12.835 -2.885 488 H GLY 71 H GLY 71 -12.651 11.594 -1.030 489 HA2 GLY 71 1HA GLY 71 -14.573 11.108 -2.253 490 HA3 GLY 71 2HA GLY 71 -13.559 10.579 -3.588 491 H LEU 72 H LEU 72 -14.346 9.602 -0.250 492 HA LEU 72 HA LEU 72 -14.336 6.807 -1.182 493 HB2 LEU 72 1HB LEU 72 -13.792 7.933 1.560 494 HB3 LEU 72 2HB LEU 72 -13.923 6.214 1.195 495 HG LEU 72 HG LEU 72 -11.844 8.044 0.002 496 HD11 LEU 72 1HD1 LEU 72 -11.858 6.402 2.495 497 HD12 LEU 72 2HD1 LEU 72 -11.205 8.016 2.215 498 HD13 LEU 72 3HD1 LEU 72 -10.363 6.602 1.581 499 HD21 LEU 72 1HD2 LEU 72 -10.781 6.028 -0.735 500 HD22 LEU 72 2HD2 LEU 72 -12.457 6.002 -1.285 501 HD23 LEU 72 3HD2 LEU 72 -11.970 5.035 0.108 502 H HIS 73 H HIS 73 -16.152 5.645 -1.006 503 HA HIS 73 HA HIS 73 -18.597 6.908 -0.309 504 HB2 HIS 73 1HB HIS 73 -17.800 4.142 -1.130 505 HB3 HIS 73 2HB HIS 73 -19.414 4.413 -0.479 506 HD1 HIS 73 1HD HIS 73 -18.723 3.591 -3.471 507 HD2 HIS 73 2HD HIS 73 -19.694 7.400 -2.126 508 HE1 HIS 73 1HE HIS 73 -19.603 4.811 -5.486 509 HE2 HIS 73 2HE HIS 73 -20.104 7.139 -4.666 510 H PHE 74 H PHE 74 -19.941 6.616 1.446 511 HA PHE 74 HA PHE 74 -18.631 5.543 3.838 512 HB2 PHE 74 1HB PHE 74 -20.550 6.789 5.006 513 HB3 PHE 74 2HB PHE 74 -19.304 7.763 4.231 514 HD1 PHE 74 1HD PHE 74 -19.779 8.676 1.910 515 HD2 PHE 74 2HD PHE 74 -22.792 7.039 4.431 516 HE1 PHE 74 1HE PHE 74 -21.504 9.839 0.597 517 HE2 PHE 74 2HE PHE 74 -24.522 8.199 3.122 518 HZ PHE 74 HZ PHE 74 -23.880 9.600 1.201 519 H ASN 75 H ASN 75 -20.299 4.672 5.506 520 HA ASN 75 HA ASN 75 -21.641 2.934 6.101 521 HB2 ASN 75 1HB ASN 75 -23.098 4.159 3.789 522 HB3 ASN 75 2HB ASN 75 -23.697 2.653 4.481 523 HD21 ASN 75 1HD2 ASN 75 -23.598 2.787 7.028 524 HD22 ASN 75 2HD2 ASN 75 -24.377 4.184 7.681 525 H SER 76 H SER 76 -19.351 2.301 4.550 526 HA SER 76 HA SER 76 -20.133 -0.326 3.634 527 HB2 SER 76 1HB SER 76 -19.216 1.815 1.762 528 HB3 SER 76 2HB SER 76 -18.675 0.161 1.475 529 HG SER 76 HG SER 76 -20.597 -0.312 0.785 530 H THR 77 H THR 77 -18.535 -1.806 3.894 531 HA THR 77 HA THR 77 -16.223 -1.020 5.385 532 HB THR 77 HB THR 77 -16.740 -3.744 4.190 533 HG1 THR 77 1HG THR 77 -18.349 -3.900 5.542 534 HG21 THR 77 1HG2 THR 77 -15.464 -3.310 6.837 535 HG22 THR 77 2HG2 THR 77 -14.515 -2.918 5.402 536 HG23 THR 77 3HG2 THR 77 -15.153 -4.547 5.620 537 H TYR 78 H TYR 78 -14.158 -0.773 4.733 538 HA TYR 78 HA TYR 78 -13.545 -1.332 1.906 539 HB2 TYR 78 1HB TYR 78 -13.096 1.110 3.541 540 HB3 TYR 78 2HB TYR 78 -11.830 0.662 2.404 541 HD1 TYR 78 2HD TYR 78 -12.528 0.287 -0.043 542 HD2 TYR 78 1HD TYR 78 -14.978 2.282 2.807 543 HE1 TYR 78 2HE TYR 78 -13.796 1.332 -1.873 544 HE2 TYR 78 1HE TYR 78 -16.253 3.332 0.985 545 HH TYR 78 HH TYR 78 -15.885 2.365 -2.309 546 H ASN 79 H ASN 79 -11.682 -2.385 1.470 547 HA ASN 79 HA ASN 79 -9.929 -3.012 3.755 548 HB2 ASN 79 1HB ASN 79 -10.448 -4.770 1.349 549 HB3 ASN 79 2HB ASN 79 -9.519 -5.190 2.786 550 HD21 ASN 79 1HD2 ASN 79 -10.899 -4.711 4.873 551 HD22 ASN 79 2HD2 ASN 79 -12.471 -5.428 4.850 552 H ALA 80 H ALA 80 -7.932 -2.258 3.587 553 HA ALA 80 HA ALA 80 -6.859 -1.703 0.897 554 HB1 ALA 80 1HB ALA 80 -7.326 0.282 2.394 555 HB2 ALA 80 2HB ALA 80 -6.010 -0.297 3.417 556 HB3 ALA 80 3HB ALA 80 -5.689 0.165 1.745 557 H ARG 81 H ARG 81 -4.409 -1.684 0.857 558 HA ARG 81 HA ARG 81 -2.979 -3.225 2.779 559 HB2 ARG 81 1HB ARG 81 -2.609 -5.235 1.584 560 HB3 ARG 81 2HB ARG 81 -4.346 -4.966 1.538 561 HG2 ARG 81 1HG ARG 81 -3.931 -3.875 -0.738 562 HG3 ARG 81 2HG ARG 81 -2.341 -4.636 -0.662 563 HD2 ARG 81 1HD ARG 81 -5.021 -5.849 -1.004 564 HD3 ARG 81 2HD ARG 81 -3.475 -6.296 -1.725 565 HE ARG 81 HE ARG 81 -3.006 -7.614 0.137 566 HH11 ARG 81 2HH1 ARG 81 -6.006 -5.890 0.527 567 HH12 ARG 81 1HH1 ARG 81 -6.531 -6.846 1.873 568 HH21 ARG 81 2HH2 ARG 81 -3.686 -8.879 1.909 569 HH22 ARG 81 1HH2 ARG 81 -5.210 -8.545 2.659 570 H VAL 82 H VAL 82 -1.071 -2.253 2.763 571 HA VAL 82 HA VAL 82 -0.050 -1.140 0.248 572 HB VAL 82 HB VAL 82 -0.277 0.223 2.450 573 HG11 VAL 82 1HG1 VAL 82 1.226 -1.754 3.501 574 HG12 VAL 82 2HG1 VAL 82 2.484 -0.592 3.074 575 HG13 VAL 82 3HG1 VAL 82 1.168 -0.114 4.148 576 HG21 VAL 82 1HG2 VAL 82 1.130 1.728 1.525 577 HG22 VAL 82 2HG2 VAL 82 2.453 0.570 1.389 578 HG23 VAL 82 3HG2 VAL 82 1.155 0.569 0.196 579 H LYS 83 H LYS 83 2.200 -1.389 -0.287 580 HA LYS 83 HA LYS 83 3.704 -3.473 1.055 581 HB2 LYS 83 1HB LYS 83 4.006 -4.819 -0.975 582 HB3 LYS 83 2HB LYS 83 2.318 -4.766 -0.485 583 HG2 LYS 83 1HG LYS 83 1.681 -3.547 -2.302 584 HG3 LYS 83 2HG LYS 83 3.257 -2.769 -2.471 585 HD2 LYS 83 1HD LYS 83 4.103 -5.121 -3.104 586 HD3 LYS 83 2HD LYS 83 2.398 -5.506 -3.350 587 HE2 LYS 83 1HE LYS 83 3.502 -3.044 -4.609 588 HE3 LYS 83 2HE LYS 83 3.908 -4.606 -5.319 589 HZ1 LYS 83 1HZ LYS 83 1.140 -4.476 -4.753 590 HZ2 LYS 83 2HZ LYS 83 1.911 -4.717 -6.238 591 HZ3 LYS 83 3HZ LYS 83 1.592 -3.147 -5.697 592 H ALA 84 H ALA 84 5.860 -3.816 -0.135 593 HA ALA 84 HA ALA 84 6.812 -1.186 -1.061 594 HB1 ALA 84 1HB ALA 84 9.088 -2.179 -0.313 595 HB2 ALA 84 2HB ALA 84 7.964 -1.576 0.906 596 HB3 ALA 84 3HB ALA 84 8.095 -3.309 0.608 597 H PHE 85 H PHE 85 8.549 -1.181 -2.641 598 HA PHE 85 HA PHE 85 9.136 -3.565 -4.124 599 HB2 PHE 85 1HB PHE 85 7.997 -3.138 -6.120 600 HB3 PHE 85 2HB PHE 85 6.802 -2.747 -4.888 601 HD1 PHE 85 1HD PHE 85 9.128 -1.357 -7.367 602 HD2 PHE 85 2HD PHE 85 6.018 -0.515 -4.586 603 HE1 PHE 85 1HE PHE 85 8.872 0.889 -8.339 604 HE2 PHE 85 2HE PHE 85 5.756 1.732 -5.554 605 HZ PHE 85 HZ PHE 85 7.183 2.436 -7.434 606 H ASN 86 H ASN 86 11.017 -3.368 -5.219 607 HA ASN 86 HA ASN 86 12.035 -0.715 -5.879 608 HB2 ASN 86 1HB ASN 86 14.235 -1.246 -4.812 609 HB3 ASN 86 2HB ASN 86 12.921 -1.031 -3.659 610 HD21 ASN 86 1HD2 ASN 86 14.384 -2.197 -2.233 611 HD22 ASN 86 2HD2 ASN 86 14.380 -3.925 -2.264 612 H LYS 87 H LYS 87 14.461 -1.178 -6.783 613 HA LYS 87 HA LYS 87 14.276 -2.192 -9.272 614 HB2 LYS 87 1HB LYS 87 16.606 -2.149 -7.376 615 HB3 LYS 87 2HB LYS 87 16.784 -2.801 -9.000 616 HG2 LYS 87 1HG LYS 87 15.731 -0.040 -8.457 617 HG3 LYS 87 2HG LYS 87 17.444 -0.393 -8.692 618 HD2 LYS 87 1HD LYS 87 15.369 -1.236 -10.693 619 HD3 LYS 87 2HD LYS 87 16.093 0.373 -10.730 620 HE2 LYS 87 1HE LYS 87 17.662 -2.201 -10.785 621 HE3 LYS 87 2HE LYS 87 17.204 -1.288 -12.222 622 HZ1 LYS 87 1HZ LYS 87 19.335 -0.554 -11.762 623 HZ2 LYS 87 2HZ LYS 87 19.098 -0.541 -10.088 624 HZ3 LYS 87 3HZ LYS 87 18.379 0.648 -11.054 625 H THR 88 H THR 88 14.927 -4.061 -6.350 626 HA THR 88 HA THR 88 15.582 -6.513 -7.439 627 HB THR 88 HB THR 88 13.830 -6.128 -5.007 628 HG1 THR 88 1HG THR 88 15.986 -6.227 -3.953 629 HG21 THR 88 1HG2 THR 88 14.465 -8.459 -6.189 630 HG22 THR 88 2HG2 THR 88 14.270 -8.282 -4.445 631 HG23 THR 88 3HG2 THR 88 15.881 -8.251 -5.160 632 H GLY 89 H GLY 89 12.326 -5.871 -6.139 633 HA2 GLY 89 1HA GLY 89 11.006 -6.683 -8.545 634 HA3 GLY 89 2HA GLY 89 11.015 -7.965 -7.343 635 H VAL 90 H VAL 90 9.543 -7.927 -5.739 636 HA VAL 90 HA VAL 90 8.223 -5.490 -4.948 637 HB VAL 90 HB VAL 90 5.936 -6.783 -5.400 638 HG11 VAL 90 1HG1 VAL 90 7.352 -5.165 -7.516 639 HG12 VAL 90 2HG1 VAL 90 5.608 -5.366 -7.335 640 HG13 VAL 90 3HG1 VAL 90 6.529 -4.495 -6.108 641 HG21 VAL 90 1HG2 VAL 90 6.892 -8.716 -6.459 642 HG22 VAL 90 2HG2 VAL 90 6.012 -7.789 -7.674 643 HG23 VAL 90 3HG2 VAL 90 7.773 -7.707 -7.606 644 H SER 91 H SER 91 6.741 -5.817 -3.147 645 HA SER 91 HA SER 91 7.405 -8.259 -1.638 646 HB2 SER 91 1HB SER 91 6.393 -5.808 -0.263 647 HB3 SER 91 2HB SER 91 7.524 -7.032 0.312 648 HG SER 91 HG SER 91 8.895 -5.474 -0.152 649 HA PRO 92 HA PRO 92 3.176 -9.415 -1.447 650 HB2 PRO 92 1HB PRO 92 3.044 -10.549 1.016 651 HB3 PRO 92 2HB PRO 92 3.866 -11.312 -0.350 652 HG2 PRO 92 1HG PRO 92 5.023 -9.737 1.918 653 HG3 PRO 92 2HG PRO 92 5.611 -11.242 1.186 654 HD2 PRO 92 1HD PRO 92 6.677 -8.823 0.600 655 HD3 PRO 92 2HD PRO 92 6.596 -10.143 -0.584 656 H TYR 93 H TYR 93 1.232 -8.583 -0.861 657 HA TYR 93 HA TYR 93 1.029 -6.097 0.343 658 HB2 TYR 93 1HB TYR 93 -1.049 -8.264 0.002 659 HB3 TYR 93 2HB TYR 93 -1.426 -6.636 0.555 660 HD1 TYR 93 1HD TYR 93 -0.038 -4.835 -1.105 661 HD2 TYR 93 2HD TYR 93 -1.714 -8.596 -2.175 662 HE1 TYR 93 1HE TYR 93 -0.225 -4.081 -3.438 663 HE2 TYR 93 2HE TYR 93 -1.903 -7.853 -4.512 664 HH TYR 93 HH TYR 93 -0.303 -5.377 -5.791 665 H SER 94 H SER 94 0.429 -5.369 2.370 666 HA SER 94 HA SER 94 1.228 -7.031 4.566 667 HB2 SER 94 1HB SER 94 1.821 -4.867 5.038 668 HB3 SER 94 2HB SER 94 0.425 -4.189 4.201 669 HG SER 94 HG SER 94 -0.404 -3.990 6.113 670 H LYS 95 H LYS 95 -0.190 -7.035 6.597 671 HA LYS 95 HA LYS 95 -2.375 -8.648 6.258 672 HB2 LYS 95 1HB LYS 95 -1.138 -8.033 8.414 673 HB3 LYS 95 2HB LYS 95 -2.219 -6.649 8.507 674 HG2 LYS 95 1HG LYS 95 -4.136 -8.081 8.655 675 HG3 LYS 95 2HG LYS 95 -3.142 -9.511 8.368 676 HD2 LYS 95 1HD LYS 95 -3.431 -9.519 10.677 677 HD3 LYS 95 2HD LYS 95 -1.851 -8.757 10.474 678 HE2 LYS 95 1HE LYS 95 -2.638 -6.670 11.042 679 HE3 LYS 95 2HE LYS 95 -4.291 -7.044 10.557 680 HZ1 LYS 95 1HZ LYS 95 -3.517 -8.731 12.680 681 HZ2 LYS 95 2HZ LYS 95 -4.770 -7.596 12.632 682 HZ3 LYS 95 3HZ LYS 95 -3.220 -7.123 13.114 683 H THR 96 H THR 96 -4.548 -8.406 5.978 684 HA THR 96 HA THR 96 -5.511 -6.200 4.565 685 HB THR 96 HB THR 96 -7.194 -8.148 6.150 686 HG1 THR 96 1HG THR 96 -5.808 -9.288 4.762 687 HG21 THR 96 1HG2 THR 96 -8.881 -7.683 4.424 688 HG22 THR 96 2HG2 THR 96 -7.793 -6.507 3.685 689 HG23 THR 96 3HG2 THR 96 -8.433 -6.222 5.304 690 H LEU 97 H LEU 97 -6.002 -4.220 5.218 691 HA LEU 97 HA LEU 97 -6.693 -3.797 8.047 692 HB2 LEU 97 1HB LEU 97 -4.689 -2.637 7.434 693 HB3 LEU 97 2HB LEU 97 -5.465 -1.952 6.008 694 HG LEU 97 HG LEU 97 -7.043 -0.819 7.747 695 HD11 LEU 97 1HD1 LEU 97 -5.670 -0.240 9.813 696 HD12 LEU 97 2HD1 LEU 97 -4.685 -1.647 9.411 697 HD13 LEU 97 3HD1 LEU 97 -6.403 -1.844 9.756 698 HD21 LEU 97 1HD2 LEU 97 -4.217 0.191 7.608 699 HD22 LEU 97 2HD2 LEU 97 -5.716 1.118 7.664 700 HD23 LEU 97 3HD2 LEU 97 -5.293 0.210 6.211 701 H VAL 98 H VAL 98 -8.777 -3.477 8.412 702 HA VAL 98 HA VAL 98 -10.549 -2.636 6.280 703 HB VAL 98 HB VAL 98 -11.413 -3.031 9.125 704 HG11 VAL 98 1HG1 VAL 98 -13.474 -3.789 8.080 705 HG12 VAL 98 2HG1 VAL 98 -13.031 -2.188 7.483 706 HG13 VAL 98 3HG1 VAL 98 -12.747 -3.613 6.483 707 HG21 VAL 98 1HG2 VAL 98 -10.113 -4.993 7.466 708 HG22 VAL 98 2HG2 VAL 98 -10.668 -5.128 9.135 709 HG23 VAL 98 3HG2 VAL 98 -11.777 -5.468 7.806 710 H LEU 99 H LEU 99 -11.365 -0.654 5.996 711 HA LEU 99 HA LEU 99 -10.824 1.364 8.074 712 HB2 LEU 99 1HB LEU 99 -10.983 1.663 5.080 713 HB3 LEU 99 2HB LEU 99 -10.872 3.014 6.206 714 HG LEU 99 HG LEU 99 -8.674 2.034 6.975 715 HD11 LEU 99 1HD1 LEU 99 -8.318 -0.071 6.304 716 HD12 LEU 99 2HD1 LEU 99 -7.800 0.664 4.787 717 HD13 LEU 99 3HD1 LEU 99 -9.449 0.062 4.957 718 HD21 LEU 99 1HD2 LEU 99 -8.334 3.891 5.698 719 HD22 LEU 99 2HD2 LEU 99 -9.227 3.247 4.321 720 HD23 LEU 99 3HD2 LEU 99 -7.588 2.684 4.651 721 H GLN 100 H GLN 100 -13.090 -0.098 8.380 722 HA GLN 100 HA GLN 100 -15.431 0.470 7.192 723 HB2 GLN 100 1HB GLN 100 -14.687 0.101 10.048 724 HB3 GLN 100 2HB GLN 100 -16.314 0.672 9.702 725 HG2 GLN 100 1HG GLN 100 -16.935 -1.281 8.679 726 HG3 GLN 100 2HG GLN 100 -15.280 -1.705 8.241 727 HE21 GLN 100 1HE2 GLN 100 -13.851 -2.358 9.998 728 HE22 GLN 100 2HE2 GLN 100 -14.518 -3.211 11.343 729 H THR 101 H THR 101 -16.487 2.234 6.594 730 HA THR 101 HA THR 101 -15.659 4.827 7.583 731 HB THR 101 HB THR 101 -17.480 5.619 5.936 732 HG1 THR 101 1HG THR 101 -17.160 3.080 4.760 733 HG21 THR 101 1HG2 THR 101 -15.062 5.716 5.484 734 HG22 THR 101 2HG2 THR 101 -15.986 5.339 4.029 735 HG23 THR 101 3HG2 THR 101 -15.118 4.061 4.879 736 H SER 102 H SER 102 -16.936 6.295 8.683 737 HA SER 102 HA SER 102 -18.892 5.178 10.439 738 HB2 SER 102 1HB SER 102 -18.133 8.078 10.009 739 HB3 SER 102 2HB SER 102 -19.046 7.437 11.375 740 HG SER 102 HG SER 102 -16.346 7.409 10.897 741 H GLU 103 H GLU 103 -21.089 5.488 10.502 742 HA GLU 103 HA GLU 103 -22.445 5.785 8.060 743 HB2 GLU 103 1HB GLU 103 -24.505 5.926 9.532 744 HB3 GLU 103 2HB GLU 103 -23.502 4.497 9.742 745 HG2 GLU 103 1HG GLU 103 -22.662 5.243 11.789 746 HG3 GLU 103 2HG GLU 103 -23.186 6.901 11.500 747 H GLY 104 H GLY 104 -23.779 7.431 7.264 748 HA2 GLY 104 1HA GLY 104 -24.049 9.647 6.651 749 HA3 GLY 104 2HA GLY 104 -24.563 9.788 8.326 750 H SER 105 H SER 105 -23.540 11.267 9.485 751 HA SER 105 HA SER 105 -20.714 11.622 9.405 752 HB2 SER 105 1HB SER 105 -20.687 13.944 8.580 753 HB3 SER 105 2HB SER 105 -21.270 12.832 7.342 754 HG SER 105 HG SER 105 -22.813 14.558 8.980 755 H GLY 106 H GLY 106 -20.391 11.782 11.526 756 HA2 GLY 106 1HA GLY 106 -21.200 14.032 13.011 757 HA3 GLY 106 2HA GLY 106 -22.263 12.689 13.404 758 HA PRO 107 HA PRO 107 -17.849 12.424 15.391 759 HB2 PRO 107 1HB PRO 107 -17.961 14.218 17.426 760 HB3 PRO 107 2HB PRO 107 -17.318 14.616 15.828 761 HG2 PRO 107 1HG PRO 107 -20.025 15.181 16.975 762 HG3 PRO 107 2HG PRO 107 -18.974 16.238 16.013 763 HD2 PRO 107 1HD PRO 107 -21.077 14.909 14.942 764 HD3 PRO 107 2HD PRO 107 -19.599 15.258 14.023 765 H SER 108 H SER 108 -18.662 10.428 16.071 766 HA SER 108 HA SER 108 -19.358 10.272 18.843 767 HB2 SER 108 1HB SER 108 -21.541 9.397 18.713 768 HB3 SER 108 2HB SER 108 -21.561 10.758 17.591 769 HG SER 108 HG SER 108 -22.484 8.741 16.790 770 H SER 109 H SER 109 -18.529 8.458 19.661 771 HA SER 109 HA SER 109 -17.586 6.413 17.787 772 HB2 SER 109 1HB SER 109 -15.940 7.431 19.341 773 HB3 SER 109 2HB SER 109 -16.874 6.815 20.704 774 HG SER 109 HG SER 109 -16.551 4.692 19.518 775 H GLY 110 H GLY 110 -17.867 4.165 18.252 776 HA2 GLY 110 1HA GLY 110 -19.219 2.953 20.280 777 HA3 GLY 110 2HA GLY 110 -20.502 3.580 19.256 Start of MODEL 7 1 H1 GLY 1 H GLY 1 33.355 -17.298 -8.216 2 HA2 GLY 1 1HA GLY 1 33.240 -14.582 -8.003 3 HA3 GLY 1 2HA GLY 1 33.254 -14.859 -9.738 4 H SER 2 H SER 2 31.524 -15.651 -6.755 5 HA SER 2 HA SER 2 29.008 -15.480 -8.191 6 HB2 SER 2 1HB SER 2 28.202 -17.664 -7.365 7 HB3 SER 2 2HB SER 2 29.582 -17.847 -8.448 8 HG SER 2 HG SER 2 29.364 -18.815 -6.049 9 H SER 3 H SER 3 28.032 -13.981 -6.993 10 HA SER 3 HA SER 3 28.346 -14.002 -4.089 11 HB2 SER 3 1HB SER 3 27.277 -11.984 -6.053 12 HB3 SER 3 2HB SER 3 26.995 -11.814 -4.321 13 HG SER 3 HG SER 3 29.188 -11.679 -3.990 14 H GLY 4 H GLY 4 25.960 -14.573 -6.571 15 HA2 GLY 4 1HA GLY 4 23.954 -15.717 -6.400 16 HA3 GLY 4 2HA GLY 4 24.226 -15.861 -4.670 17 H SER 5 H SER 5 22.052 -15.355 -4.235 18 HA SER 5 HA SER 5 21.032 -12.766 -5.063 19 HB2 SER 5 1HB SER 5 18.951 -13.454 -4.018 20 HB3 SER 5 2HB SER 5 19.561 -14.778 -5.011 21 HG SER 5 HG SER 5 20.610 -15.328 -2.791 22 H SER 6 H SER 6 21.882 -11.083 -4.003 23 HA SER 6 HA SER 6 21.870 -11.178 -1.059 24 HB2 SER 6 1HB SER 6 23.951 -10.029 -2.915 25 HB3 SER 6 2HB SER 6 23.823 -9.523 -1.230 26 HG SER 6 HG SER 6 24.790 -11.296 -0.682 27 H GLY 7 H GLY 7 19.663 -10.316 -2.440 28 HA2 GLY 7 1HA GLY 7 19.207 -7.775 -1.345 29 HA3 GLY 7 2HA GLY 7 19.594 -7.570 -3.047 30 HA PRO 8 HA PRO 8 15.549 -10.218 -2.928 31 HB2 PRO 8 1HB PRO 8 14.373 -10.540 -0.502 32 HB3 PRO 8 2HB PRO 8 15.569 -11.670 -1.147 33 HG2 PRO 8 1HG PRO 8 15.932 -9.449 0.827 34 HG3 PRO 8 2HG PRO 8 16.595 -11.093 0.859 35 HD2 PRO 8 1HD PRO 8 18.048 -8.951 0.063 36 HD3 PRO 8 2HD PRO 8 18.288 -10.573 -0.616 37 H VAL 9 H VAL 9 13.141 -9.738 -1.972 38 HA VAL 9 HA VAL 9 12.600 -7.062 -2.700 39 HB VAL 9 HB VAL 9 10.270 -7.587 -1.813 40 HG11 VAL 9 1HG1 VAL 9 11.555 -9.341 -3.899 41 HG12 VAL 9 2HG1 VAL 9 9.812 -9.199 -3.660 42 HG13 VAL 9 3HG1 VAL 9 10.755 -7.790 -4.149 43 HG21 VAL 9 1HG2 VAL 9 9.731 -9.767 -1.123 44 HG22 VAL 9 2HG2 VAL 9 11.293 -10.407 -1.636 45 HG23 VAL 9 3HG2 VAL 9 11.191 -9.355 -0.224 46 HA PRO 10 HA PRO 10 12.916 -4.829 1.067 47 HB2 PRO 10 1HB PRO 10 10.916 -3.016 0.776 48 HB3 PRO 10 2HB PRO 10 12.421 -2.943 -0.148 49 HG2 PRO 10 1HG PRO 10 9.746 -4.011 -0.964 50 HG3 PRO 10 2HG PRO 10 10.879 -3.007 -1.888 51 HD2 PRO 10 1HD PRO 10 10.671 -5.681 -2.255 52 HD3 PRO 10 2HD PRO 10 12.201 -4.805 -2.463 53 H ALA 11 H ALA 11 12.246 -5.095 3.113 54 HA ALA 11 HA ALA 11 10.341 -6.893 3.909 55 HB1 ALA 11 1HB ALA 11 11.544 -6.407 5.733 56 HB2 ALA 11 2HB ALA 11 11.850 -4.751 5.208 57 HB3 ALA 11 3HB ALA 11 10.334 -5.155 6.013 58 H THR 12 H THR 12 8.191 -6.894 4.325 59 HA THR 12 HA THR 12 6.521 -5.041 3.043 60 HB THR 12 HB THR 12 5.854 -7.039 5.213 61 HG1 THR 12 1HG THR 12 5.883 -7.112 2.380 62 HG21 THR 12 1HG2 THR 12 4.266 -4.959 4.529 63 HG22 THR 12 2HG2 THR 12 3.657 -6.532 5.043 64 HG23 THR 12 3HG2 THR 12 3.772 -6.148 3.325 65 HA PRO 13 HA PRO 13 6.385 -1.740 5.981 66 HB2 PRO 13 1HB PRO 13 4.204 -0.466 4.987 67 HB3 PRO 13 2HB PRO 13 5.789 -0.405 4.208 68 HG2 PRO 13 1HG PRO 13 3.420 -2.111 3.550 69 HG3 PRO 13 2HG PRO 13 4.508 -1.238 2.456 70 HD2 PRO 13 1HD PRO 13 4.729 -3.898 2.915 71 HD3 PRO 13 2HD PRO 13 6.134 -2.869 2.570 72 H ILE 14 H ILE 14 5.268 -1.155 7.823 73 HA ILE 14 HA ILE 14 3.210 -3.026 8.684 74 HB ILE 14 HB ILE 14 4.356 -0.810 10.361 75 HG12 ILE 14 1HG1 ILE 14 5.856 -2.884 11.135 76 HG13 ILE 14 2HG1 ILE 14 5.636 -3.338 9.449 77 HG21 ILE 14 1HG2 ILE 14 2.773 -3.264 10.806 78 HG22 ILE 14 2HG2 ILE 14 4.001 -2.886 12.013 79 HG23 ILE 14 3HG2 ILE 14 2.732 -1.717 11.650 80 HD11 ILE 14 1HD1 ILE 14 6.389 -0.549 9.802 81 HD12 ILE 14 2HD1 ILE 14 7.584 -1.691 10.417 82 HD13 ILE 14 3HD1 ILE 14 7.058 -1.784 8.736 83 H LEU 15 H LEU 15 1.141 -2.564 8.391 84 HA LEU 15 HA LEU 15 0.231 0.055 7.710 85 HB2 LEU 15 1HB LEU 15 -0.992 -2.623 8.059 86 HB3 LEU 15 2HB LEU 15 -2.058 -1.225 8.183 87 HG LEU 15 HG LEU 15 -0.340 -1.923 5.801 88 HD11 LEU 15 1HD1 LEU 15 -3.020 -2.708 6.617 89 HD12 LEU 15 2HD1 LEU 15 -1.983 -3.360 5.350 90 HD13 LEU 15 3HD1 LEU 15 -2.978 -1.940 5.030 91 HD21 LEU 15 1HD2 LEU 15 -1.795 -0.143 4.728 92 HD22 LEU 15 2HD2 LEU 15 -0.550 0.423 5.841 93 HD23 LEU 15 3HD2 LEU 15 -2.233 0.344 6.366 94 H GLN 16 H GLN 16 0.469 1.525 9.324 95 HA GLN 16 HA GLN 16 -1.082 1.031 11.773 96 HB2 GLN 16 1HB GLN 16 0.784 2.684 12.743 97 HB3 GLN 16 2HB GLN 16 0.959 0.934 12.773 98 HG2 GLN 16 1HG GLN 16 2.568 0.924 11.170 99 HG3 GLN 16 2HG GLN 16 1.945 2.370 10.377 100 HE21 GLN 16 1HE2 GLN 16 2.889 4.262 10.783 101 HE22 GLN 16 2HE2 GLN 16 4.096 4.535 11.988 102 H LEU 17 H LEU 17 -2.726 2.179 10.494 103 HA LEU 17 HA LEU 17 -2.625 4.678 9.432 104 HB2 LEU 17 1HB LEU 17 -4.780 3.428 11.119 105 HB3 LEU 17 2HB LEU 17 -4.991 4.961 10.277 106 HG LEU 17 HG LEU 17 -4.803 2.195 9.163 107 HD11 LEU 17 1HD1 LEU 17 -6.970 2.593 8.910 108 HD12 LEU 17 2HD1 LEU 17 -6.551 3.828 7.723 109 HD13 LEU 17 3HD1 LEU 17 -6.777 4.272 9.414 110 HD21 LEU 17 1HD2 LEU 17 -4.068 4.746 7.743 111 HD22 LEU 17 2HD2 LEU 17 -4.552 3.273 6.903 112 HD23 LEU 17 3HD2 LEU 17 -3.103 3.279 7.910 113 H GLU 18 H GLU 18 -3.045 6.804 10.201 114 HA GLU 18 HA GLU 18 -2.147 7.210 12.973 115 HB2 GLU 18 1HB GLU 18 -1.751 8.725 10.442 116 HB3 GLU 18 2HB GLU 18 -1.850 9.648 11.935 117 HG2 GLU 18 1HG GLU 18 0.106 7.449 11.311 118 HG3 GLU 18 2HG GLU 18 0.451 9.175 11.404 119 H GLU 19 H GLU 19 -4.528 8.244 10.576 120 HA GLU 19 HA GLU 19 -5.903 10.233 11.705 121 HB2 GLU 19 1HB GLU 19 -6.834 7.778 10.289 122 HB3 GLU 19 2HB GLU 19 -8.044 8.827 11.015 123 HG2 GLU 19 1HG GLU 19 -5.979 9.669 8.994 124 HG3 GLU 19 2HG GLU 19 -7.679 9.346 8.660 125 H CYS 20 H CYS 20 -6.081 10.528 13.852 126 HA CYS 20 HA CYS 20 -7.137 8.344 15.499 127 HB2 CYS 20 1HB CYS 20 -5.568 10.829 16.103 128 HB3 CYS 20 2HB CYS 20 -6.505 10.051 17.374 129 HG CYS 20 HG CYS 20 -4.503 8.592 18.040 130 H CYS 21 H CYS 21 -7.601 11.839 14.990 131 HA CYS 21 HA CYS 21 -9.836 12.225 16.555 132 HB2 CYS 21 1HB CYS 21 -8.802 13.533 14.077 133 HB3 CYS 21 2HB CYS 21 -10.413 13.960 14.639 134 HG CYS 21 HG CYS 21 -7.466 14.946 15.765 135 H THR 22 H THR 22 -12.093 12.706 15.715 136 HA THR 22 HA THR 22 -13.506 10.527 15.093 137 HB THR 22 HB THR 22 -14.160 13.185 13.814 138 HG1 THR 22 1HG THR 22 -15.366 13.414 15.888 139 HG21 THR 22 1HG2 THR 22 -16.314 11.598 14.971 140 HG22 THR 22 2HG2 THR 22 -15.470 10.762 13.667 141 HG23 THR 22 3HG2 THR 22 -16.191 12.345 13.379 142 H HIS 23 H HIS 23 -13.868 9.186 13.426 143 HA HIS 23 HA HIS 23 -12.185 8.986 11.259 144 HB2 HIS 23 1HB HIS 23 -14.128 7.636 10.215 145 HB3 HIS 23 2HB HIS 23 -13.442 7.071 11.735 146 HD1 HIS 23 1HD HIS 23 -16.327 9.329 10.680 147 HD2 HIS 23 2HD HIS 23 -15.355 6.475 13.538 148 HE1 HIS 23 1HE HIS 23 -18.410 9.018 12.055 149 HE2 HIS 23 2HE HIS 23 -17.772 7.350 13.831 150 H ASN 24 H ASN 24 -12.920 9.045 8.895 151 HA ASN 24 HA ASN 24 -14.783 11.134 8.203 152 HB2 ASN 24 1HB ASN 24 -12.788 12.219 6.813 153 HB3 ASN 24 2HB ASN 24 -13.147 12.720 8.463 154 HD21 ASN 24 1HD2 ASN 24 -11.926 11.634 10.182 155 HD22 ASN 24 2HD2 ASN 24 -10.284 11.195 9.871 156 H ASN 25 H ASN 25 -14.849 11.461 5.791 157 HA ASN 25 HA ASN 25 -15.185 9.018 4.487 158 HB2 ASN 25 1HB ASN 25 -16.141 11.362 3.920 159 HB3 ASN 25 2HB ASN 25 -14.664 11.569 2.983 160 HD21 ASN 25 1HD2 ASN 25 -17.401 9.379 3.436 161 HD22 ASN 25 2HD2 ASN 25 -17.495 8.874 1.787 162 H SER 26 H SER 26 -12.432 11.178 4.639 163 HA SER 26 HA SER 26 -10.962 9.611 2.671 164 HB2 SER 26 1HB SER 26 -9.244 11.313 2.848 165 HB3 SER 26 2HB SER 26 -10.812 12.102 2.678 166 HG SER 26 HG SER 26 -10.131 13.143 4.389 167 H ALA 27 H ALA 27 -9.089 8.455 3.115 168 HA ALA 27 HA ALA 27 -8.619 7.872 5.967 169 HB1 ALA 27 1HB ALA 27 -9.676 6.001 4.767 170 HB2 ALA 27 2HB ALA 27 -8.311 5.966 3.650 171 HB3 ALA 27 3HB ALA 27 -8.064 5.595 5.357 172 H THR 28 H THR 28 -6.716 8.582 6.643 173 HA THR 28 HA THR 28 -4.601 9.175 4.748 174 HB THR 28 HB THR 28 -4.387 9.480 7.735 175 HG1 THR 28 1HG THR 28 -5.911 10.954 5.898 176 HG21 THR 28 1HG2 THR 28 -2.689 10.050 5.566 177 HG22 THR 28 2HG2 THR 28 -2.472 10.513 7.254 178 HG23 THR 28 3HG2 THR 28 -3.296 11.603 6.139 179 H LEU 29 H LEU 29 -2.964 7.861 4.295 180 HA LEU 29 HA LEU 29 -2.460 5.585 6.091 181 HB2 LEU 29 1HB LEU 29 -2.315 5.926 3.136 182 HB3 LEU 29 2HB LEU 29 -1.238 4.765 3.909 183 HG LEU 29 HG LEU 29 -3.442 3.903 2.937 184 HD11 LEU 29 1HD1 LEU 29 -3.679 2.265 4.708 185 HD12 LEU 29 2HD1 LEU 29 -2.795 3.309 5.821 186 HD13 LEU 29 3HD1 LEU 29 -1.974 2.614 4.423 187 HD21 LEU 29 1HD2 LEU 29 -4.451 5.273 5.425 188 HD22 LEU 29 2HD2 LEU 29 -5.347 4.042 4.535 189 HD23 LEU 29 3HD2 LEU 29 -4.947 5.575 3.760 190 H SER 30 H SER 30 -0.601 5.537 7.159 191 HA SER 30 HA SER 30 1.721 6.954 6.052 192 HB2 SER 30 1HB SER 30 2.229 8.022 8.109 193 HB3 SER 30 2HB SER 30 0.506 8.300 7.853 194 HG SER 30 HG SER 30 1.761 6.963 9.854 195 H TRP 31 H TRP 31 1.709 4.422 5.581 196 HA TRP 31 HA TRP 31 2.396 2.581 7.541 197 HB2 TRP 31 1HB TRP 31 3.502 1.314 5.693 198 HB3 TRP 31 2HB TRP 31 1.871 1.853 5.304 199 HD1 TRP 31 HD TRP 31 5.469 2.203 4.207 200 HE1 TRP 31 1HE TRP 31 5.571 3.622 2.061 201 HE3 TRP 31 3HE TRP 31 0.634 3.861 4.099 202 HZ2 TRP 31 2HZ TRP 31 3.832 5.231 0.527 203 HZ3 TRP 31 3HZ TRP 31 -0.066 5.337 2.259 204 HH2 TRP 31 HH TRP 31 1.501 6.007 0.511 205 H LYS 32 H LYS 32 4.770 1.449 7.165 206 HA LYS 32 HA LYS 32 6.985 3.195 7.002 207 HB2 LYS 32 1HB LYS 32 7.617 3.464 9.268 208 HB3 LYS 32 2HB LYS 32 5.920 3.920 9.190 209 HG2 LYS 32 1HG LYS 32 5.770 2.600 11.001 210 HG3 LYS 32 2HG LYS 32 5.666 1.315 9.795 211 HD2 LYS 32 1HD LYS 32 7.897 0.692 10.095 212 HD3 LYS 32 2HD LYS 32 8.318 2.225 10.861 213 HE2 LYS 32 1HE LYS 32 8.133 0.194 12.379 214 HE3 LYS 32 2HE LYS 32 7.245 1.637 12.869 215 HZ1 LYS 32 1HZ LYS 32 5.642 0.064 13.126 216 HZ2 LYS 32 2HZ LYS 32 6.229 -0.926 11.887 217 HZ3 LYS 32 3HZ LYS 32 5.350 0.469 11.510 218 H GLN 33 H GLN 33 9.011 2.118 7.433 219 HA GLN 33 HA GLN 33 8.823 -0.728 6.931 220 HB2 GLN 33 1HB GLN 33 11.001 1.314 6.814 221 HB3 GLN 33 2HB GLN 33 11.437 -0.385 6.936 222 HG2 GLN 33 1HG GLN 33 9.783 -0.657 4.938 223 HG3 GLN 33 2HG GLN 33 10.075 1.068 4.721 224 HE21 GLN 33 1HE2 GLN 33 11.509 -2.109 4.705 225 HE22 GLN 33 2HE2 GLN 33 12.942 -1.675 3.843 226 HA PRO 34 HA PRO 34 9.509 -2.019 11.083 227 HB2 PRO 34 1HB PRO 34 10.505 -4.497 10.596 228 HB3 PRO 34 2HB PRO 34 8.796 -4.092 10.395 229 HG2 PRO 34 1HG PRO 34 10.952 -4.291 8.327 230 HG3 PRO 34 2HG PRO 34 9.280 -4.879 8.261 231 HD2 PRO 34 1HD PRO 34 10.064 -2.582 7.062 232 HD3 PRO 34 2HD PRO 34 8.436 -2.800 7.735 233 HA PRO 35 HA PRO 35 13.721 -1.266 12.120 234 HB2 PRO 35 1HB PRO 35 13.914 -2.636 14.455 235 HB3 PRO 35 2HB PRO 35 13.023 -1.117 14.304 236 HG2 PRO 35 1HG PRO 35 11.990 -3.927 14.302 237 HG3 PRO 35 2HG PRO 35 11.338 -2.496 15.121 238 HD2 PRO 35 1HD PRO 35 10.313 -3.439 12.799 239 HD3 PRO 35 2HD PRO 35 10.317 -1.712 13.209 240 H LEU 36 H LEU 36 12.554 -4.535 11.826 241 HA LEU 36 HA LEU 36 15.252 -5.639 11.818 242 HB2 LEU 36 1HB LEU 36 12.589 -7.001 11.442 243 HB3 LEU 36 2HB LEU 36 14.147 -7.806 11.617 244 HG LEU 36 HG LEU 36 12.810 -6.136 13.745 245 HD11 LEU 36 1HD1 LEU 36 11.931 -8.538 12.956 246 HD12 LEU 36 2HD1 LEU 36 11.893 -8.000 14.634 247 HD13 LEU 36 3HD1 LEU 36 13.198 -9.045 14.073 248 HD21 LEU 36 1HD2 LEU 36 14.624 -7.647 15.024 249 HD22 LEU 36 2HD2 LEU 36 14.957 -6.019 14.435 250 HD23 LEU 36 3HD2 LEU 36 15.454 -7.420 13.485 251 H SER 37 H SER 37 13.919 -3.848 9.686 252 HA SER 37 HA SER 37 13.818 -5.504 7.343 253 HB2 SER 37 1HB SER 37 13.156 -3.602 6.199 254 HB3 SER 37 2HB SER 37 12.647 -3.196 7.838 255 HG SER 37 HG SER 37 15.016 -2.325 7.829 256 H THR 38 H THR 38 15.620 -6.407 6.594 257 HA THR 38 HA THR 38 18.176 -5.033 6.848 258 HB THR 38 HB THR 38 19.138 -7.142 5.932 259 HG1 THR 38 1HG THR 38 16.594 -8.323 6.269 260 HG21 THR 38 1HG2 THR 38 17.461 -7.074 8.400 261 HG22 THR 38 2HG2 THR 38 19.215 -7.166 8.233 262 HG23 THR 38 3HG2 THR 38 18.223 -8.592 7.927 263 H VAL 39 H VAL 39 15.721 -5.520 4.529 264 HA VAL 39 HA VAL 39 17.538 -4.747 2.343 265 HB VAL 39 HB VAL 39 14.763 -5.890 2.038 266 HG11 VAL 39 1HG1 VAL 39 16.342 -6.481 -0.178 267 HG12 VAL 39 2HG1 VAL 39 15.061 -5.272 -0.079 268 HG13 VAL 39 3HG1 VAL 39 16.736 -4.811 0.227 269 HG21 VAL 39 1HG2 VAL 39 16.820 -7.285 3.114 270 HG22 VAL 39 2HG2 VAL 39 15.530 -8.005 2.151 271 HG23 VAL 39 3HG2 VAL 39 17.071 -7.595 1.396 272 HA PRO 40 HA PRO 40 15.545 -0.769 2.642 273 HB2 PRO 40 1HB PRO 40 16.919 0.375 0.599 274 HB3 PRO 40 2HB PRO 40 17.615 0.129 2.205 275 HG2 PRO 40 1HG PRO 40 17.949 -1.514 -0.275 276 HG3 PRO 40 2HG PRO 40 19.170 -1.017 0.910 277 HD2 PRO 40 1HD PRO 40 18.069 -3.490 0.903 278 HD3 PRO 40 2HD PRO 40 18.587 -2.680 2.395 279 H ALA 41 H ALA 41 14.051 0.436 1.436 280 HA ALA 41 HA ALA 41 13.019 -0.941 -0.955 281 HB1 ALA 41 1HB ALA 41 11.623 0.598 1.211 282 HB2 ALA 41 2HB ALA 41 10.861 0.284 -0.349 283 HB3 ALA 41 3HB ALA 41 11.349 -1.062 0.681 284 H ASP 42 H ASP 42 11.995 0.434 -2.590 285 HA ASP 42 HA ASP 42 13.363 3.035 -2.801 286 HB2 ASP 42 1HB ASP 42 12.651 0.965 -4.854 287 HB3 ASP 42 2HB ASP 42 12.858 2.648 -5.330 288 H GLY 43 H GLY 43 10.327 1.315 -3.285 289 HA2 GLY 43 1HA GLY 43 8.907 3.858 -3.057 290 HA3 GLY 43 2HA GLY 43 8.634 2.927 -4.523 291 H TYR 44 H TYR 44 6.382 3.153 -3.557 292 HA TYR 44 HA TYR 44 5.776 0.663 -2.181 293 HB2 TYR 44 1HB TYR 44 4.752 3.304 -1.123 294 HB3 TYR 44 2HB TYR 44 4.414 1.706 -0.468 295 HD1 TYR 44 2HD TYR 44 7.137 4.163 -1.037 296 HD2 TYR 44 1HD TYR 44 5.846 0.732 1.123 297 HE1 TYR 44 2HE TYR 44 9.095 4.362 0.439 298 HE2 TYR 44 1HE TYR 44 7.799 0.922 2.605 299 HH TYR 44 HH TYR 44 9.815 1.923 2.876 300 H ILE 45 H ILE 45 3.631 -0.044 -2.467 301 HA ILE 45 HA ILE 45 2.022 1.524 -4.369 302 HB ILE 45 HB ILE 45 2.643 -1.424 -4.516 303 HG12 ILE 45 1HG1 ILE 45 2.888 0.653 -6.685 304 HG13 ILE 45 2HG1 ILE 45 4.190 0.353 -5.540 305 HG21 ILE 45 1HG2 ILE 45 0.242 -0.042 -5.263 306 HG22 ILE 45 2HG2 ILE 45 1.045 -0.682 -6.696 307 HG23 ILE 45 3HG2 ILE 45 0.620 -1.761 -5.368 308 HD11 ILE 45 1HD1 ILE 45 3.110 -2.033 -6.867 309 HD12 ILE 45 2HD1 ILE 45 3.945 -0.885 -7.914 310 HD13 ILE 45 3HD1 ILE 45 4.777 -1.575 -6.521 311 H LEU 46 H LEU 46 0.020 1.861 -3.678 312 HA LEU 46 HA LEU 46 -0.996 0.255 -1.451 313 HB2 LEU 46 1HB LEU 46 -1.493 2.996 -2.471 314 HB3 LEU 46 2HB LEU 46 -2.829 2.172 -1.669 315 HG LEU 46 HG LEU 46 -0.121 2.665 -0.432 316 HD11 LEU 46 1HD1 LEU 46 -1.005 4.499 0.695 317 HD12 LEU 46 2HD1 LEU 46 -2.668 4.056 0.313 318 HD13 LEU 46 3HD1 LEU 46 -1.613 4.692 -0.949 319 HD21 LEU 46 1HD2 LEU 46 -1.184 0.732 0.517 320 HD22 LEU 46 2HD2 LEU 46 -2.714 1.595 0.676 321 HD23 LEU 46 3HD2 LEU 46 -1.327 2.070 1.658 322 H GLU 47 H GLU 47 -3.139 -0.576 -1.461 323 HA GLU 47 HA GLU 47 -4.522 -0.678 -4.028 324 HB2 GLU 47 1HB GLU 47 -3.284 -3.017 -2.638 325 HB3 GLU 47 2HB GLU 47 -4.795 -3.246 -3.506 326 HG2 GLU 47 1HG GLU 47 -3.454 -1.988 -5.413 327 HG3 GLU 47 2HG GLU 47 -2.081 -2.659 -4.535 328 H LEU 48 H LEU 48 -6.715 -0.941 -3.863 329 HA LEU 48 HA LEU 48 -7.933 -1.734 -1.365 330 HB2 LEU 48 1HB LEU 48 -7.724 0.460 -0.691 331 HB3 LEU 48 2HB LEU 48 -7.899 1.088 -2.328 332 HG LEU 48 HG LEU 48 -10.346 0.337 -2.147 333 HD11 LEU 48 1HD1 LEU 48 -10.878 0.661 0.476 334 HD12 LEU 48 2HD1 LEU 48 -9.347 -0.209 0.566 335 HD13 LEU 48 3HD1 LEU 48 -10.709 -0.909 -0.310 336 HD21 LEU 48 1HD2 LEU 48 -10.321 2.581 -2.161 337 HD22 LEU 48 2HD2 LEU 48 -8.980 2.676 -1.019 338 HD23 LEU 48 3HD2 LEU 48 -10.624 2.424 -0.431 339 H ASP 49 H ASP 49 -10.118 -2.271 -1.567 340 HA ASP 49 HA ASP 49 -10.978 -2.707 -4.319 341 HB2 ASP 49 1HB ASP 49 -11.081 -4.634 -2.865 342 HB3 ASP 49 2HB ASP 49 -12.038 -3.743 -1.684 343 H ASP 50 H ASP 50 -13.406 -2.497 -4.706 344 HA ASP 50 HA ASP 50 -14.161 0.219 -4.003 345 HB2 ASP 50 1HB ASP 50 -14.305 -0.829 -6.355 346 HB3 ASP 50 2HB ASP 50 -15.752 -1.638 -5.758 347 H GLY 51 H GLY 51 -14.239 -1.522 -1.821 348 HA2 GLY 51 1HA GLY 51 -15.614 -2.302 -0.148 349 HA3 GLY 51 2HA GLY 51 -16.644 -0.959 -0.625 350 H ASN 52 H ASN 52 -15.928 -3.577 -2.814 351 HA ASN 52 HA ASN 52 -18.755 -4.363 -2.695 352 HB2 ASN 52 1HB ASN 52 -17.494 -3.587 -4.868 353 HB3 ASN 52 2HB ASN 52 -16.904 -5.246 -4.877 354 HD21 ASN 52 1HD2 ASN 52 -18.653 -3.898 -6.761 355 HD22 ASN 52 2HD2 ASN 52 -20.118 -4.814 -6.802 356 H GLY 53 H GLY 53 -15.472 -5.608 -2.514 357 HA2 GLY 53 1HA GLY 53 -14.995 -7.465 -1.054 358 HA3 GLY 53 2HA GLY 53 -16.579 -8.121 -1.444 359 H GLY 54 H GLY 54 -14.217 -6.841 -3.737 360 HA2 GLY 54 1HA GLY 54 -13.949 -9.577 -4.825 361 HA3 GLY 54 2HA GLY 54 -14.093 -8.155 -5.848 362 H GLN 55 H GLN 55 -12.215 -7.811 -6.825 363 HA GLN 55 HA GLN 55 -9.719 -8.514 -5.529 364 HB2 GLN 55 1HB GLN 55 -8.686 -7.911 -7.673 365 HB3 GLN 55 2HB GLN 55 -10.010 -9.047 -7.891 366 HG2 GLN 55 1HG GLN 55 -11.456 -7.018 -8.395 367 HG3 GLN 55 2HG GLN 55 -9.946 -6.117 -8.518 368 HE21 GLN 55 1HE2 GLN 55 -8.393 -6.826 -10.106 369 HE22 GLN 55 2HE2 GLN 55 -8.941 -7.593 -11.553 370 H PHE 56 H PHE 56 -7.862 -6.900 -5.795 371 HA PHE 56 HA PHE 56 -8.799 -4.284 -4.831 372 HB2 PHE 56 1HB PHE 56 -6.127 -5.640 -4.404 373 HB3 PHE 56 2HB PHE 56 -6.600 -4.077 -3.745 374 HD1 PHE 56 1HD PHE 56 -7.912 -7.571 -3.857 375 HD2 PHE 56 2HD PHE 56 -7.271 -4.047 -1.558 376 HE1 PHE 56 1HE PHE 56 -8.846 -8.696 -1.878 377 HE2 PHE 56 2HE PHE 56 -8.203 -5.166 0.424 378 HZ PHE 56 HZ PHE 56 -8.992 -7.494 0.267 379 H ARG 57 H ARG 57 -8.012 -2.396 -5.700 380 HA ARG 57 HA ARG 57 -6.375 -2.681 -8.134 381 HB2 ARG 57 1HB ARG 57 -7.589 -0.850 -9.127 382 HB3 ARG 57 2HB ARG 57 -8.741 -2.062 -8.581 383 HG2 ARG 57 1HG ARG 57 -8.762 -0.544 -6.417 384 HG3 ARG 57 2HG ARG 57 -8.252 0.684 -7.577 385 HD2 ARG 57 1HD ARG 57 -10.674 0.668 -7.349 386 HD3 ARG 57 2HD ARG 57 -10.197 0.169 -8.971 387 HE ARG 57 HE ARG 57 -11.373 -1.518 -6.899 388 HH11 ARG 57 2HH1 ARG 57 -10.036 -1.209 -10.099 389 HH12 ARG 57 1HH1 ARG 57 -10.688 -2.714 -10.658 390 HH21 ARG 57 2HH2 ARG 57 -12.236 -3.502 -7.624 391 HH22 ARG 57 1HH2 ARG 57 -11.940 -4.016 -9.250 392 H GLU 58 H GLU 58 -4.860 -1.046 -8.587 393 HA GLU 58 HA GLU 58 -3.527 0.010 -6.339 394 HB2 GLU 58 1HB GLU 58 -3.251 0.505 -9.298 395 HB3 GLU 58 2HB GLU 58 -2.236 1.323 -8.119 396 HG2 GLU 58 1HG GLU 58 -0.915 -0.454 -8.685 397 HG3 GLU 58 2HG GLU 58 -1.754 -1.093 -7.273 398 H VAL 59 H VAL 59 -3.505 2.001 -5.418 399 HA VAL 59 HA VAL 59 -5.366 4.008 -6.514 400 HB VAL 59 HB VAL 59 -5.799 4.734 -4.175 401 HG11 VAL 59 1HG1 VAL 59 -6.714 2.309 -5.460 402 HG12 VAL 59 2HG1 VAL 59 -6.852 2.207 -3.703 403 HG13 VAL 59 3HG1 VAL 59 -7.629 3.530 -4.575 404 HG21 VAL 59 1HG2 VAL 59 -3.808 3.873 -3.106 405 HG22 VAL 59 2HG2 VAL 59 -5.237 3.172 -2.346 406 HG23 VAL 59 3HG2 VAL 59 -4.286 2.217 -3.483 407 H TYR 60 H TYR 60 -2.311 3.344 -4.970 408 HA TYR 60 HA TYR 60 -1.388 6.012 -5.713 409 HB2 TYR 60 1HB TYR 60 -1.722 6.620 -3.532 410 HB3 TYR 60 2HB TYR 60 -1.591 4.968 -2.938 411 HD1 TYR 60 1HD TYR 60 0.645 3.962 -2.570 412 HD2 TYR 60 2HD TYR 60 0.182 8.057 -3.628 413 HE1 TYR 60 1HE TYR 60 2.947 4.408 -1.827 414 HE2 TYR 60 2HE TYR 60 2.483 8.514 -2.889 415 HH TYR 60 HH TYR 60 4.144 6.918 -0.955 416 H VAL 61 H VAL 61 0.762 6.112 -6.257 417 HA VAL 61 HA VAL 61 2.494 3.834 -5.749 418 HB VAL 61 HB VAL 61 1.908 4.721 -8.577 419 HG11 VAL 61 1HG1 VAL 61 3.751 2.607 -7.472 420 HG12 VAL 61 2HG1 VAL 61 3.345 2.787 -9.179 421 HG13 VAL 61 3HG1 VAL 61 4.211 4.073 -8.337 422 HG21 VAL 61 1HG2 VAL 61 1.101 2.313 -8.772 423 HG22 VAL 61 2HG2 VAL 61 1.060 2.300 -7.009 424 HG23 VAL 61 3HG2 VAL 61 0.054 3.437 -7.906 425 H GLY 62 H GLY 62 4.447 4.569 -5.236 426 HA2 GLY 62 1HA GLY 62 6.023 6.326 -6.644 427 HA3 GLY 62 2HA GLY 62 5.109 7.337 -5.534 428 H LYS 63 H LYS 63 6.995 7.951 -4.434 429 HA LYS 63 HA LYS 63 8.089 5.846 -2.687 430 HB2 LYS 63 1HB LYS 63 10.208 7.298 -2.686 431 HB3 LYS 63 2HB LYS 63 9.888 6.322 -4.113 432 HG2 LYS 63 1HG LYS 63 8.911 9.133 -4.048 433 HG3 LYS 63 2HG LYS 63 10.627 8.824 -4.324 434 HD2 LYS 63 1HD LYS 63 8.618 7.289 -5.903 435 HD3 LYS 63 2HD LYS 63 8.930 8.972 -6.332 436 HE2 LYS 63 1HE LYS 63 10.911 6.705 -6.226 437 HE3 LYS 63 2HE LYS 63 10.368 7.590 -7.651 438 HZ1 LYS 63 1HZ LYS 63 12.134 8.876 -7.333 439 HZ2 LYS 63 2HZ LYS 63 12.437 8.241 -5.795 440 HZ3 LYS 63 3HZ LYS 63 11.344 9.519 -5.982 441 H GLU 64 H GLU 64 5.904 7.898 -2.393 442 HA GLU 64 HA GLU 64 6.851 9.853 -0.540 443 HB2 GLU 64 1HB GLU 64 4.191 8.962 -1.540 444 HB3 GLU 64 2HB GLU 64 4.239 9.856 -0.027 445 HG2 GLU 64 1HG GLU 64 5.680 10.925 -2.406 446 HG3 GLU 64 2HG GLU 64 3.929 11.101 -2.293 447 H THR 65 H THR 65 5.711 9.985 1.682 448 HA THR 65 HA THR 65 5.939 7.349 2.983 449 HB THR 65 HB THR 65 6.733 8.465 4.991 450 HG1 THR 65 1HG THR 65 5.886 10.466 5.017 451 HG21 THR 65 1HG2 THR 65 8.677 9.813 3.474 452 HG22 THR 65 2HG2 THR 65 8.132 8.460 2.481 453 HG23 THR 65 3HG2 THR 65 8.755 8.168 4.105 454 H MET 66 H MET 66 3.739 9.566 2.057 455 HA MET 66 HA MET 66 1.752 8.575 3.874 456 HB2 MET 66 1HB MET 66 2.901 10.487 5.108 457 HB3 MET 66 2HB MET 66 2.203 11.555 3.899 458 HG2 MET 66 1HG MET 66 0.072 11.278 4.677 459 HG3 MET 66 2HG MET 66 0.408 9.684 5.349 460 HE1 MET 66 1HE MET 66 0.452 13.711 6.526 461 HE2 MET 66 2HE MET 66 -0.834 12.631 5.987 462 HE3 MET 66 3HE MET 66 -0.601 12.935 7.710 463 H CYS 67 H CYS 67 -0.105 8.394 2.798 464 HA CYS 67 HA CYS 67 -0.773 10.323 0.711 465 HB2 CYS 67 1HB CYS 67 0.433 8.439 -0.391 466 HB3 CYS 67 2HB CYS 67 -0.801 7.340 0.212 467 HG CYS 67 HG CYS 67 -1.708 9.982 -1.729 468 H THR 68 H THR 68 -2.915 10.734 0.551 469 HA THR 68 HA THR 68 -4.739 9.033 2.123 470 HB THR 68 HB THR 68 -4.807 12.047 1.887 471 HG1 THR 68 1HG THR 68 -4.277 11.992 4.064 472 HG21 THR 68 1HG2 THR 68 -7.058 10.977 1.911 473 HG22 THR 68 2HG2 THR 68 -6.742 11.989 3.320 474 HG23 THR 68 3HG2 THR 68 -6.642 10.234 3.454 475 H VAL 69 H VAL 69 -6.774 8.658 1.289 476 HA VAL 69 HA VAL 69 -7.118 9.395 -1.535 477 HB VAL 69 HB VAL 69 -7.088 6.987 -1.079 478 HG11 VAL 69 1HG1 VAL 69 -8.757 5.907 0.258 479 HG12 VAL 69 2HG1 VAL 69 -7.996 7.162 1.238 480 HG13 VAL 69 3HG1 VAL 69 -9.592 7.434 0.538 481 HG21 VAL 69 1HG2 VAL 69 -9.940 7.422 -1.717 482 HG22 VAL 69 2HG2 VAL 69 -8.771 8.289 -2.714 483 HG23 VAL 69 3HG2 VAL 69 -8.701 6.530 -2.601 484 H ASP 70 H ASP 70 -9.092 10.183 -2.300 485 HA ASP 70 HA ASP 70 -10.949 11.152 -0.227 486 HB2 ASP 70 1HB ASP 70 -9.884 13.115 -0.927 487 HB3 ASP 70 2HB ASP 70 -9.790 12.580 -2.602 488 H GLY 71 H GLY 71 -13.138 11.106 -0.694 489 HA2 GLY 71 1HA GLY 71 -15.063 10.658 -1.927 490 HA3 GLY 71 2HA GLY 71 -14.054 10.274 -3.314 491 H LEU 72 H LEU 72 -14.718 8.997 -0.050 492 HA LEU 72 HA LEU 72 -14.660 6.292 -1.216 493 HB2 LEU 72 1HB LEU 72 -14.009 7.257 1.559 494 HB3 LEU 72 2HB LEU 72 -14.227 5.555 1.156 495 HG LEU 72 HG LEU 72 -12.160 7.281 -0.186 496 HD11 LEU 72 1HD1 LEU 72 -11.225 7.411 1.861 497 HD12 LEU 72 2HD1 LEU 72 -10.718 5.762 1.498 498 HD13 LEU 72 3HD1 LEU 72 -12.147 6.046 2.491 499 HD21 LEU 72 1HD2 LEU 72 -11.221 5.259 -0.922 500 HD22 LEU 72 2HD2 LEU 72 -12.957 5.074 -1.177 501 HD23 LEU 72 3HD2 LEU 72 -12.180 4.302 0.207 502 H HIS 73 H HIS 73 -16.471 5.127 -1.175 503 HA HIS 73 HA HIS 73 -18.946 6.167 -0.479 504 HB2 HIS 73 1HB HIS 73 -18.257 4.050 -1.891 505 HB3 HIS 73 2HB HIS 73 -18.511 3.209 -0.364 506 HD1 HIS 73 1HD HIS 73 -20.938 3.070 0.523 507 HD2 HIS 73 2HD HIS 73 -20.573 4.984 -3.146 508 HE1 HIS 73 1HE HIS 73 -23.278 3.240 -0.382 509 HE2 HIS 73 2HE HIS 73 -23.023 4.325 -2.641 510 H PHE 74 H PHE 74 -20.126 6.268 1.341 511 HA PHE 74 HA PHE 74 -18.862 5.373 3.814 512 HB2 PHE 74 1HB PHE 74 -20.650 6.755 4.904 513 HB3 PHE 74 2HB PHE 74 -19.590 7.662 3.830 514 HD1 PHE 74 2HD PHE 74 -22.789 5.748 3.640 515 HD2 PHE 74 1HD PHE 74 -20.583 9.185 2.441 516 HE1 PHE 74 2HE PHE 74 -24.752 6.574 2.408 517 HE2 PHE 74 1HE PHE 74 -22.543 10.017 1.209 518 HZ PHE 74 HZ PHE 74 -24.631 8.711 1.190 519 H ASN 75 H ASN 75 -20.384 4.542 5.549 520 HA ASN 75 HA ASN 75 -21.707 2.859 6.316 521 HB2 ASN 75 1HB ASN 75 -23.474 4.347 5.379 522 HB3 ASN 75 2HB ASN 75 -23.382 3.450 3.866 523 HD21 ASN 75 1HD2 ASN 75 -23.766 2.861 7.344 524 HD22 ASN 75 2HD2 ASN 75 -24.973 1.635 7.175 525 H SER 76 H SER 76 -19.502 2.164 4.630 526 HA SER 76 HA SER 76 -20.351 -0.513 3.892 527 HB2 SER 76 1HB SER 76 -19.257 1.480 1.918 528 HB3 SER 76 2HB SER 76 -19.039 -0.254 1.680 529 HG SER 76 HG SER 76 -21.606 0.666 2.269 530 H THR 77 H THR 77 -18.636 -2.013 3.771 531 HA THR 77 HA THR 77 -16.314 -1.216 5.324 532 HB THR 77 HB THR 77 -16.784 -3.993 4.274 533 HG1 THR 77 1HG THR 77 -18.714 -3.094 5.353 534 HG21 THR 77 1HG2 THR 77 -15.568 -4.670 6.218 535 HG22 THR 77 2HG2 THR 77 -15.630 -3.042 6.894 536 HG23 THR 77 3HG2 THR 77 -14.661 -3.364 5.457 537 H TYR 78 H TYR 78 -14.292 -0.993 4.566 538 HA TYR 78 HA TYR 78 -13.797 -1.716 1.752 539 HB2 TYR 78 1HB TYR 78 -13.228 0.786 3.256 540 HB3 TYR 78 2HB TYR 78 -12.024 0.260 2.085 541 HD1 TYR 78 2HD TYR 78 -12.678 0.002 -0.314 542 HD2 TYR 78 1HD TYR 78 -15.279 1.758 2.559 543 HE1 TYR 78 2HE TYR 78 -14.005 0.995 -2.131 544 HE2 TYR 78 1HE TYR 78 -16.614 2.756 0.750 545 HH TYR 78 HH TYR 78 -17.064 2.477 -1.574 546 H ASN 79 H ASN 79 -11.616 -2.289 1.208 547 HA ASN 79 HA ASN 79 -9.960 -3.105 3.498 548 HB2 ASN 79 1HB ASN 79 -10.448 -4.786 1.029 549 HB3 ASN 79 2HB ASN 79 -9.459 -5.226 2.418 550 HD21 ASN 79 1HD2 ASN 79 -12.683 -4.811 1.208 551 HD22 ASN 79 2HD2 ASN 79 -13.492 -5.617 2.504 552 H ALA 80 H ALA 80 -7.929 -2.420 3.360 553 HA ALA 80 HA ALA 80 -6.812 -1.832 0.700 554 HB1 ALA 80 1HB ALA 80 -6.479 -0.132 3.169 555 HB2 ALA 80 2HB ALA 80 -5.718 0.153 1.603 556 HB3 ALA 80 3HB ALA 80 -7.471 0.265 1.765 557 H ARG 81 H ARG 81 -4.360 -1.536 0.848 558 HA ARG 81 HA ARG 81 -2.956 -2.813 2.972 559 HB2 ARG 81 1HB ARG 81 -2.118 -4.738 1.599 560 HB3 ARG 81 2HB ARG 81 -3.811 -4.851 2.062 561 HG2 ARG 81 1HG ARG 81 -4.224 -3.755 -0.270 562 HG3 ARG 81 2HG ARG 81 -2.607 -4.369 -0.620 563 HD2 ARG 81 1HD ARG 81 -3.429 -6.615 0.209 564 HD3 ARG 81 2HD ARG 81 -5.052 -5.927 0.185 565 HE ARG 81 HE ARG 81 -3.991 -5.452 -2.313 566 HH11 ARG 81 2HH1 ARG 81 -4.693 -8.235 -0.344 567 HH12 ARG 81 1HH1 ARG 81 -4.993 -9.278 -1.695 568 HH21 ARG 81 2HH2 ARG 81 -4.384 -6.814 -4.100 569 HH22 ARG 81 1HH2 ARG 81 -4.816 -8.469 -3.831 570 H VAL 82 H VAL 82 -0.823 -2.303 2.919 571 HA VAL 82 HA VAL 82 0.151 -0.932 0.497 572 HB VAL 82 HB VAL 82 -0.166 0.471 2.596 573 HG11 VAL 82 1HG1 VAL 82 0.934 0.034 4.496 574 HG12 VAL 82 2HG1 VAL 82 1.164 -1.582 3.825 575 HG13 VAL 82 3HG1 VAL 82 2.428 -0.364 3.648 576 HG21 VAL 82 1HG2 VAL 82 1.239 1.122 0.668 577 HG22 VAL 82 2HG2 VAL 82 1.844 1.751 2.200 578 HG23 VAL 82 3HG2 VAL 82 2.622 0.357 1.451 579 H LYS 83 H LYS 83 2.165 -1.415 -0.282 580 HA LYS 83 HA LYS 83 3.816 -3.336 1.181 581 HB2 LYS 83 1HB LYS 83 4.123 -4.663 -0.925 582 HB3 LYS 83 2HB LYS 83 2.518 -4.779 -0.217 583 HG2 LYS 83 1HG LYS 83 1.539 -3.539 -1.901 584 HG3 LYS 83 2HG LYS 83 3.061 -2.772 -2.361 585 HD2 LYS 83 1HD LYS 83 3.734 -5.265 -2.929 586 HD3 LYS 83 2HD LYS 83 1.985 -5.454 -3.075 587 HE2 LYS 83 1HE LYS 83 2.653 -4.896 -5.233 588 HE3 LYS 83 2HE LYS 83 2.097 -3.362 -4.567 589 HZ1 LYS 83 1HZ LYS 83 4.933 -4.055 -4.301 590 HZ2 LYS 83 2HZ LYS 83 4.206 -2.536 -4.460 591 HZ3 LYS 83 3HZ LYS 83 4.372 -3.539 -5.812 592 H ALA 84 H ALA 84 5.970 -3.641 0.062 593 HA ALA 84 HA ALA 84 6.829 -1.068 -1.090 594 HB1 ALA 84 1HB ALA 84 8.034 -2.857 0.931 595 HB2 ALA 84 2HB ALA 84 9.140 -2.088 -0.209 596 HB3 ALA 84 3HB ALA 84 8.081 -1.099 0.796 597 H PHE 85 H PHE 85 8.268 -1.058 -2.823 598 HA PHE 85 HA PHE 85 9.003 -3.612 -4.027 599 HB2 PHE 85 1HB PHE 85 7.961 -3.241 -6.091 600 HB3 PHE 85 2HB PHE 85 6.738 -2.749 -4.924 601 HD1 PHE 85 1HD PHE 85 9.331 -1.484 -7.235 602 HD2 PHE 85 2HD PHE 85 5.896 -0.557 -4.898 603 HE1 PHE 85 1HE PHE 85 9.191 0.720 -8.320 604 HE2 PHE 85 2HE PHE 85 5.751 1.648 -5.980 605 HZ PHE 85 HZ PHE 85 7.399 2.289 -7.694 606 H ASN 86 H ASN 86 10.910 -3.556 -5.108 607 HA ASN 86 HA ASN 86 12.074 -0.997 -5.867 608 HB2 ASN 86 1HB ASN 86 14.161 -1.415 -4.656 609 HB3 ASN 86 2HB ASN 86 12.803 -1.321 -3.539 610 HD21 ASN 86 1HD2 ASN 86 13.926 -2.478 -1.973 611 HD22 ASN 86 2HD2 ASN 86 14.181 -4.183 -2.101 612 H LYS 87 H LYS 87 14.493 -1.596 -6.670 613 HA LYS 87 HA LYS 87 14.403 -2.714 -9.089 614 HB2 LYS 87 1HB LYS 87 16.429 -1.805 -7.641 615 HB3 LYS 87 2HB LYS 87 16.760 -3.522 -7.446 616 HG2 LYS 87 1HG LYS 87 16.293 -2.438 -10.181 617 HG3 LYS 87 2HG LYS 87 17.848 -2.163 -9.391 618 HD2 LYS 87 1HD LYS 87 18.250 -4.498 -9.186 619 HD3 LYS 87 2HD LYS 87 16.593 -4.889 -9.653 620 HE2 LYS 87 1HE LYS 87 17.114 -3.774 -11.873 621 HE3 LYS 87 2HE LYS 87 18.804 -3.790 -11.372 622 HZ1 LYS 87 1HZ LYS 87 18.415 -6.275 -10.999 623 HZ2 LYS 87 2HZ LYS 87 18.565 -5.729 -12.593 624 HZ3 LYS 87 3HZ LYS 87 17.036 -6.078 -11.959 625 H THR 88 H THR 88 15.053 -4.597 -6.139 626 HA THR 88 HA THR 88 15.405 -7.100 -7.147 627 HB THR 88 HB THR 88 13.709 -6.449 -4.729 628 HG1 THR 88 1HG THR 88 16.113 -5.739 -5.053 629 HG21 THR 88 1HG2 THR 88 15.222 -8.802 -4.374 630 HG22 THR 88 2HG2 THR 88 14.442 -8.935 -5.950 631 HG23 THR 88 3HG2 THR 88 13.470 -8.652 -4.506 632 H GLY 89 H GLY 89 12.202 -6.230 -5.861 633 HA2 GLY 89 1HA GLY 89 10.828 -6.925 -8.272 634 HA3 GLY 89 2HA GLY 89 10.755 -8.219 -7.086 635 H VAL 90 H VAL 90 9.220 -8.139 -5.565 636 HA VAL 90 HA VAL 90 8.085 -5.620 -4.708 637 HB VAL 90 HB VAL 90 5.720 -6.746 -5.186 638 HG11 VAL 90 1HG1 VAL 90 6.322 -4.513 -5.869 639 HG12 VAL 90 2HG1 VAL 90 7.328 -5.146 -7.174 640 HG13 VAL 90 3HG1 VAL 90 5.577 -5.355 -7.228 641 HG21 VAL 90 1HG2 VAL 90 6.588 -8.734 -6.253 642 HG22 VAL 90 2HG2 VAL 90 5.713 -7.763 -7.438 643 HG23 VAL 90 3HG2 VAL 90 7.477 -7.756 -7.421 644 H SER 91 H SER 91 7.204 -5.733 -2.694 645 HA SER 91 HA SER 91 7.543 -8.253 -1.280 646 HB2 SER 91 1HB SER 91 7.702 -7.017 0.655 647 HB3 SER 91 2HB SER 91 8.216 -5.799 -0.512 648 HG SER 91 HG SER 91 6.542 -5.158 1.048 649 HA PRO 92 HA PRO 92 3.303 -9.361 -1.054 650 HB2 PRO 92 1HB PRO 92 3.161 -10.449 1.429 651 HB3 PRO 92 2HB PRO 92 3.975 -11.245 0.077 652 HG2 PRO 92 1HG PRO 92 5.149 -9.642 2.316 653 HG3 PRO 92 2HG PRO 92 5.721 -11.165 1.611 654 HD2 PRO 92 1HD PRO 92 6.811 -8.768 0.981 655 HD3 PRO 92 2HD PRO 92 6.716 -10.108 -0.179 656 H TYR 93 H TYR 93 1.365 -8.508 -0.474 657 HA TYR 93 HA TYR 93 1.204 -5.997 0.707 658 HB2 TYR 93 1HB TYR 93 -0.888 -8.126 0.268 659 HB3 TYR 93 2HB TYR 93 -1.278 -6.536 0.914 660 HD1 TYR 93 1HD TYR 93 -0.316 -4.521 -0.541 661 HD2 TYR 93 2HD TYR 93 -1.085 -8.440 -2.009 662 HE1 TYR 93 1HE TYR 93 -0.477 -3.627 -2.827 663 HE2 TYR 93 2HE TYR 93 -1.247 -7.557 -4.298 664 HH TYR 93 HH TYR 93 -0.203 -5.331 -5.491 665 H SER 94 H SER 94 0.791 -5.250 2.731 666 HA SER 94 HA SER 94 1.426 -6.953 4.929 667 HB2 SER 94 1HB SER 94 0.972 -4.929 6.310 668 HB3 SER 94 2HB SER 94 2.089 -4.618 4.981 669 HG SER 94 HG SER 94 -0.146 -4.090 3.909 670 H LYS 95 H LYS 95 -0.091 -6.552 6.993 671 HA LYS 95 HA LYS 95 -2.271 -8.200 6.758 672 HB2 LYS 95 1HB LYS 95 -1.091 -7.161 8.856 673 HB3 LYS 95 2HB LYS 95 -2.357 -5.947 8.731 674 HG2 LYS 95 1HG LYS 95 -4.061 -7.633 8.971 675 HG3 LYS 95 2HG LYS 95 -2.842 -8.910 8.961 676 HD2 LYS 95 1HD LYS 95 -1.999 -8.267 11.060 677 HD3 LYS 95 2HD LYS 95 -2.813 -6.702 11.000 678 HE2 LYS 95 1HE LYS 95 -4.981 -8.136 10.923 679 HE3 LYS 95 2HE LYS 95 -3.948 -9.413 11.562 680 HZ1 LYS 95 1HZ LYS 95 -5.236 -7.708 13.109 681 HZ2 LYS 95 2HZ LYS 95 -3.810 -6.824 12.893 682 HZ3 LYS 95 3HZ LYS 95 -3.748 -8.383 13.548 683 H THR 96 H THR 96 -4.430 -7.981 6.350 684 HA THR 96 HA THR 96 -5.252 -5.846 4.679 685 HB THR 96 HB THR 96 -7.034 -7.856 6.065 686 HG1 THR 96 1HG THR 96 -5.127 -8.518 4.565 687 HG21 THR 96 1HG2 THR 96 -7.779 -7.061 3.390 688 HG22 THR 96 2HG2 THR 96 -7.650 -5.659 4.453 689 HG23 THR 96 3HG2 THR 96 -8.718 -6.996 4.881 690 H LEU 97 H LEU 97 -5.690 -3.854 5.346 691 HA LEU 97 HA LEU 97 -6.760 -3.443 8.043 692 HB2 LEU 97 1HB LEU 97 -4.852 -2.121 7.680 693 HB3 LEU 97 2HB LEU 97 -5.386 -1.649 6.068 694 HG LEU 97 HG LEU 97 -7.334 -0.493 7.412 695 HD11 LEU 97 1HD1 LEU 97 -7.103 -0.736 9.618 696 HD12 LEU 97 2HD1 LEU 97 -5.802 0.447 9.483 697 HD13 LEU 97 3HD1 LEU 97 -5.430 -1.277 9.475 698 HD21 LEU 97 1HD2 LEU 97 -5.578 0.553 5.960 699 HD22 LEU 97 2HD2 LEU 97 -4.577 0.719 7.403 700 HD23 LEU 97 3HD2 LEU 97 -6.127 1.555 7.303 701 H VAL 98 H VAL 98 -8.857 -3.100 8.301 702 HA VAL 98 HA VAL 98 -10.522 -2.485 5.996 703 HB VAL 98 HB VAL 98 -11.517 -2.873 8.807 704 HG11 VAL 98 1HG1 VAL 98 -13.567 -3.384 7.830 705 HG12 VAL 98 2HG1 VAL 98 -12.958 -2.065 6.828 706 HG13 VAL 98 3HG1 VAL 98 -12.842 -3.731 6.261 707 HG21 VAL 98 1HG2 VAL 98 -11.518 -5.202 8.588 708 HG22 VAL 98 2HG2 VAL 98 -11.186 -5.131 6.857 709 HG23 VAL 98 3HG2 VAL 98 -9.922 -4.716 8.015 710 H LEU 99 H LEU 99 -11.558 -0.600 5.639 711 HA LEU 99 HA LEU 99 -11.035 1.587 7.533 712 HB2 LEU 99 1HB LEU 99 -11.629 1.593 4.582 713 HB3 LEU 99 2HB LEU 99 -11.582 3.055 5.566 714 HG LEU 99 HG LEU 99 -9.518 2.711 4.274 715 HD11 LEU 99 1HD1 LEU 99 -8.026 3.262 6.006 716 HD12 LEU 99 2HD1 LEU 99 -8.938 2.336 7.197 717 HD13 LEU 99 3HD1 LEU 99 -9.604 3.834 6.547 718 HD21 LEU 99 1HD2 LEU 99 -9.804 0.089 4.744 719 HD22 LEU 99 2HD2 LEU 99 -8.649 0.488 6.016 720 HD23 LEU 99 3HD2 LEU 99 -8.259 0.833 4.330 721 H GLN 100 H GLN 100 -12.991 0.190 8.513 722 HA GLN 100 HA GLN 100 -15.570 0.368 7.605 723 HB2 GLN 100 1HB GLN 100 -14.358 0.329 10.330 724 HB3 GLN 100 2HB GLN 100 -16.078 0.668 10.190 725 HG2 GLN 100 1HG GLN 100 -16.581 -1.436 9.483 726 HG3 GLN 100 2HG GLN 100 -15.005 -1.682 8.734 727 HE21 GLN 100 1HE2 GLN 100 -13.822 -3.148 9.703 728 HE22 GLN 100 2HE2 GLN 100 -13.832 -3.523 11.389 729 H THR 101 H THR 101 -16.706 2.044 6.915 730 HA THR 101 HA THR 101 -16.097 4.722 7.904 731 HB THR 101 HB THR 101 -17.627 5.486 6.083 732 HG1 THR 101 1HG THR 101 -17.975 3.652 4.481 733 HG21 THR 101 1HG2 THR 101 -16.052 4.237 4.248 734 HG22 THR 101 2HG2 THR 101 -15.104 4.026 5.720 735 HG23 THR 101 3HG2 THR 101 -15.564 5.644 5.191 736 H SER 102 H SER 102 -18.088 6.203 8.104 737 HA SER 102 HA SER 102 -19.936 4.898 9.960 738 HB2 SER 102 1HB SER 102 -20.497 7.211 10.668 739 HB3 SER 102 2HB SER 102 -18.775 6.861 10.816 740 HG SER 102 HG SER 102 -20.032 8.278 8.700 741 H GLU 103 H GLU 103 -22.211 5.888 9.972 742 HA GLU 103 HA GLU 103 -23.445 5.286 7.504 743 HB2 GLU 103 1HB GLU 103 -24.345 6.278 10.157 744 HB3 GLU 103 2HB GLU 103 -25.427 6.541 8.796 745 HG2 GLU 103 1HG GLU 103 -25.809 4.302 8.485 746 HG3 GLU 103 2HG GLU 103 -24.284 3.828 9.230 747 H GLY 104 H GLY 104 -25.121 6.861 6.537 748 HA2 GLY 104 1HA GLY 104 -23.892 8.854 5.140 749 HA3 GLY 104 2HA GLY 104 -25.612 8.860 5.499 750 H SER 105 H SER 105 -23.205 10.872 5.470 751 HA SER 105 HA SER 105 -24.100 12.284 7.888 752 HB2 SER 105 1HB SER 105 -21.818 13.042 8.328 753 HB3 SER 105 2HB SER 105 -21.882 11.280 8.326 754 HG SER 105 HG SER 105 -21.210 11.489 6.042 755 H GLY 106 H GLY 106 -25.459 13.558 6.584 756 HA2 GLY 106 1HA GLY 106 -24.156 15.852 5.440 757 HA3 GLY 106 2HA GLY 106 -24.942 14.843 4.235 758 HA PRO 107 HA PRO 107 -27.927 17.873 6.378 759 HB2 PRO 107 1HB PRO 107 -28.156 19.690 4.373 760 HB3 PRO 107 2HB PRO 107 -26.958 19.831 5.665 761 HG2 PRO 107 1HG PRO 107 -26.621 18.802 2.874 762 HG3 PRO 107 2HG PRO 107 -25.558 19.870 3.808 763 HD2 PRO 107 1HD PRO 107 -25.068 17.223 3.513 764 HD3 PRO 107 2HD PRO 107 -24.618 18.120 4.977 765 H SER 108 H SER 108 -27.627 16.730 3.049 766 HA SER 108 HA SER 108 -30.488 16.784 2.621 767 HB2 SER 108 1HB SER 108 -28.095 16.103 0.967 768 HB3 SER 108 2HB SER 108 -29.662 15.461 0.478 769 HG SER 108 HG SER 108 -29.646 17.380 -0.492 770 H SER 109 H SER 109 -31.745 14.904 2.109 771 HA SER 109 HA SER 109 -30.749 12.468 3.439 772 HB2 SER 109 1HB SER 109 -33.554 13.592 3.298 773 HB3 SER 109 2HB SER 109 -33.180 11.973 3.890 774 HG SER 109 HG SER 109 -31.729 14.065 4.998 775 H GLY 110 H GLY 110 -31.784 10.433 2.656 776 HA2 GLY 110 1HA GLY 110 -33.052 9.391 0.817 777 HA3 GLY 110 2HA GLY 110 -32.328 10.590 -0.245 Start of MODEL 8 1 H1 GLY 1 H GLY 1 22.434 -23.358 -5.467 2 HA2 GLY 1 1HA GLY 1 22.882 -22.076 -2.842 3 HA3 GLY 1 2HA GLY 1 24.170 -22.693 -3.866 4 H SER 2 H SER 2 23.580 -19.976 -2.733 5 HA SER 2 HA SER 2 23.023 -18.351 -5.060 6 HB2 SER 2 1HB SER 2 23.055 -16.494 -3.599 7 HB3 SER 2 2HB SER 2 22.363 -17.801 -2.638 8 HG SER 2 HG SER 2 23.982 -16.658 -1.494 9 H SER 3 H SER 3 24.461 -17.141 -6.219 10 HA SER 3 HA SER 3 27.309 -17.688 -5.707 11 HB2 SER 3 1HB SER 3 26.094 -18.434 -7.910 12 HB3 SER 3 2HB SER 3 26.293 -16.742 -8.365 13 HG SER 3 HG SER 3 28.153 -17.553 -9.033 14 H GLY 4 H GLY 4 25.579 -15.512 -4.600 15 HA2 GLY 4 1HA GLY 4 26.802 -13.450 -3.940 16 HA3 GLY 4 2HA GLY 4 27.122 -13.220 -5.652 17 H SER 5 H SER 5 24.356 -13.695 -3.454 18 HA SER 5 HA SER 5 22.477 -12.459 -5.167 19 HB2 SER 5 1HB SER 5 21.706 -13.957 -3.439 20 HB3 SER 5 2HB SER 5 22.427 -12.953 -2.182 21 HG SER 5 HG SER 5 20.932 -11.346 -2.653 22 H SER 6 H SER 6 21.806 -10.390 -5.370 23 HA SER 6 HA SER 6 23.522 -8.318 -4.388 24 HB2 SER 6 1HB SER 6 22.595 -8.085 -6.603 25 HB3 SER 6 2HB SER 6 20.951 -8.226 -5.980 26 HG SER 6 HG SER 6 22.488 -6.037 -6.203 27 H GLY 7 H GLY 7 19.967 -8.374 -4.250 28 HA2 GLY 7 1HA GLY 7 19.964 -8.051 -1.377 29 HA3 GLY 7 2HA GLY 7 19.530 -6.595 -2.261 30 HA PRO 8 HA PRO 8 16.049 -9.978 -2.106 31 HB2 PRO 8 1HB PRO 8 15.165 -9.913 0.460 32 HB3 PRO 8 2HB PRO 8 16.389 -11.056 -0.105 33 HG2 PRO 8 1HG PRO 8 16.744 -8.477 1.373 34 HG3 PRO 8 2HG PRO 8 17.558 -10.032 1.625 35 HD2 PRO 8 1HD PRO 8 18.714 -7.983 0.285 36 HD3 PRO 8 2HD PRO 8 19.033 -9.684 -0.111 37 H VAL 9 H VAL 9 13.703 -9.522 -1.158 38 HA VAL 9 HA VAL 9 12.932 -6.985 -2.166 39 HB VAL 9 HB VAL 9 10.659 -7.591 -1.316 40 HG11 VAL 9 1HG1 VAL 9 12.154 -9.621 -2.966 41 HG12 VAL 9 2HG1 VAL 9 10.397 -9.570 -2.813 42 HG13 VAL 9 3HG1 VAL 9 11.259 -8.217 -3.547 43 HG21 VAL 9 1HG2 VAL 9 10.323 -9.848 -0.412 44 HG22 VAL 9 2HG2 VAL 9 12.070 -10.088 -0.376 45 HG23 VAL 9 3HG2 VAL 9 11.327 -8.861 0.650 46 HA PRO 10 HA PRO 10 13.119 -4.393 1.375 47 HB2 PRO 10 1HB PRO 10 11.018 -2.737 0.909 48 HB3 PRO 10 2HB PRO 10 12.523 -2.663 -0.015 49 HG2 PRO 10 1HG PRO 10 9.922 -3.961 -0.731 50 HG3 PRO 10 2HG PRO 10 11.000 -2.983 -1.744 51 HD2 PRO 10 1HD PRO 10 10.953 -5.688 -1.855 52 HD3 PRO 10 2HD PRO 10 12.430 -4.747 -2.143 53 H ALA 11 H ALA 11 12.524 -4.700 3.423 54 HA ALA 11 HA ALA 11 10.688 -6.457 4.368 55 HB1 ALA 11 1HB ALA 11 11.254 -5.719 6.412 56 HB2 ALA 11 2HB ALA 11 12.421 -4.731 5.532 57 HB3 ALA 11 3HB ALA 11 10.875 -4.040 6.025 58 H THR 12 H THR 12 8.549 -6.627 4.362 59 HA THR 12 HA THR 12 6.800 -4.950 3.087 60 HB THR 12 HB THR 12 6.288 -6.857 5.368 61 HG1 THR 12 1HG THR 12 5.504 -7.102 2.654 62 HG21 THR 12 1HG2 THR 12 4.553 -5.053 5.267 63 HG22 THR 12 2HG2 THR 12 3.932 -6.675 4.957 64 HG23 THR 12 3HG2 THR 12 4.200 -5.562 3.616 65 HA PRO 13 HA PRO 13 6.456 -1.403 5.705 66 HB2 PRO 13 1HB PRO 13 4.241 -0.330 4.561 67 HB3 PRO 13 2HB PRO 13 5.838 -0.264 3.808 68 HG2 PRO 13 1HG PRO 13 3.564 -2.135 3.268 69 HG3 PRO 13 2HG PRO 13 4.635 -1.314 2.117 70 HD2 PRO 13 1HD PRO 13 4.968 -3.907 2.823 71 HD3 PRO 13 2HD PRO 13 6.331 -2.848 2.409 72 H ILE 14 H ILE 14 5.516 -1.031 7.626 73 HA ILE 14 HA ILE 14 3.316 -2.744 8.447 74 HB ILE 14 HB ILE 14 4.844 -0.731 10.098 75 HG12 ILE 14 1HG1 ILE 14 5.306 -3.669 10.313 76 HG13 ILE 14 2HG1 ILE 14 6.039 -2.818 8.958 77 HG21 ILE 14 1HG2 ILE 14 3.640 -3.073 11.381 78 HG22 ILE 14 2HG2 ILE 14 3.643 -1.381 11.876 79 HG23 ILE 14 3HG2 ILE 14 2.479 -1.946 10.678 80 HD11 ILE 14 1HD1 ILE 14 6.466 -2.296 11.886 81 HD12 ILE 14 2HD1 ILE 14 7.630 -2.928 10.721 82 HD13 ILE 14 3HD1 ILE 14 7.076 -1.258 10.597 83 H LEU 15 H LEU 15 1.340 -2.059 7.923 84 HA LEU 15 HA LEU 15 0.577 0.563 7.367 85 HB2 LEU 15 1HB LEU 15 -0.945 -1.892 8.157 86 HB3 LEU 15 2HB LEU 15 -1.773 -0.353 7.930 87 HG LEU 15 HG LEU 15 -0.126 -1.723 5.807 88 HD11 LEU 15 1HD1 LEU 15 -1.966 -2.785 5.015 89 HD12 LEU 15 2HD1 LEU 15 -3.077 -1.560 5.628 90 HD13 LEU 15 3HD1 LEU 15 -2.397 -2.763 6.725 91 HD21 LEU 15 1HD2 LEU 15 -1.178 -0.142 4.304 92 HD22 LEU 15 2HD2 LEU 15 -0.334 0.720 5.590 93 HD23 LEU 15 3HD2 LEU 15 -2.090 0.560 5.640 94 H GLN 16 H GLN 16 1.223 2.026 8.915 95 HA GLN 16 HA GLN 16 -0.152 1.820 11.513 96 HB2 GLN 16 1HB GLN 16 2.568 2.983 10.903 97 HB3 GLN 16 2HB GLN 16 1.742 3.169 12.444 98 HG2 GLN 16 1HG GLN 16 2.539 0.542 11.211 99 HG3 GLN 16 2HG GLN 16 3.430 1.390 12.475 100 HE21 GLN 16 1HE2 GLN 16 2.243 1.810 14.491 101 HE22 GLN 16 2HE2 GLN 16 1.112 0.625 15.039 102 H LEU 17 H LEU 17 -1.749 2.926 9.884 103 HA LEU 17 HA LEU 17 -1.402 5.568 9.071 104 HB2 LEU 17 1HB LEU 17 -3.737 5.658 8.757 105 HB3 LEU 17 2HB LEU 17 -3.251 3.997 8.423 106 HG LEU 17 HG LEU 17 -3.951 3.699 10.976 107 HD11 LEU 17 1HD1 LEU 17 -5.139 6.256 10.123 108 HD12 LEU 17 2HD1 LEU 17 -4.764 5.656 11.738 109 HD13 LEU 17 3HD1 LEU 17 -6.233 5.124 10.920 110 HD21 LEU 17 1HD2 LEU 17 -5.646 2.474 10.143 111 HD22 LEU 17 2HD2 LEU 17 -4.914 2.878 8.591 112 HD23 LEU 17 3HD2 LEU 17 -6.287 3.811 9.189 113 H GLU 18 H GLU 18 -3.109 7.289 10.021 114 HA GLU 18 HA GLU 18 -2.510 7.500 12.900 115 HB2 GLU 18 1HB GLU 18 -1.383 9.128 11.233 116 HB3 GLU 18 2HB GLU 18 -2.970 9.874 11.116 117 HG2 GLU 18 1HG GLU 18 -1.948 11.145 12.735 118 HG3 GLU 18 2HG GLU 18 -2.848 9.974 13.696 119 H GLU 19 H GLU 19 -4.822 8.416 10.365 120 HA GLU 19 HA GLU 19 -6.828 9.581 11.757 121 HB2 GLU 19 1HB GLU 19 -6.840 7.676 9.457 122 HB3 GLU 19 2HB GLU 19 -8.376 8.124 10.185 123 HG2 GLU 19 1HG GLU 19 -6.380 10.154 9.236 124 HG3 GLU 19 2HG GLU 19 -7.632 9.481 8.194 125 H CYS 20 H CYS 20 -8.734 8.875 12.822 126 HA CYS 20 HA CYS 20 -8.388 6.299 14.201 127 HB2 CYS 20 1HB CYS 20 -9.772 8.847 15.044 128 HB3 CYS 20 2HB CYS 20 -9.950 7.329 15.916 129 HG CYS 20 HG CYS 20 -7.491 7.209 16.944 130 H CYS 21 H CYS 21 -10.750 5.681 15.160 131 HA CYS 21 HA CYS 21 -12.307 5.091 12.781 132 HB2 CYS 21 1HB CYS 21 -12.492 4.126 15.637 133 HB3 CYS 21 2HB CYS 21 -13.624 3.644 14.380 134 HG CYS 21 HG CYS 21 -10.325 3.158 13.792 135 H THR 22 H THR 22 -12.439 7.762 13.330 136 HA THR 22 HA THR 22 -15.097 8.126 14.547 137 HB THR 22 HB THR 22 -14.491 10.523 14.769 138 HG1 THR 22 1HG THR 22 -12.894 11.012 13.421 139 HG21 THR 22 1HG2 THR 22 -12.435 9.952 16.397 140 HG22 THR 22 2HG2 THR 22 -13.057 8.323 16.134 141 HG23 THR 22 3HG2 THR 22 -14.110 9.572 16.796 142 H HIS 23 H HIS 23 -16.355 9.986 13.569 143 HA HIS 23 HA HIS 23 -17.142 9.466 11.013 144 HB2 HIS 23 1HB HIS 23 -18.146 11.078 12.782 145 HB3 HIS 23 2HB HIS 23 -17.142 12.301 12.010 146 HD1 HIS 23 1HD HIS 23 -17.804 13.046 9.623 147 HD2 HIS 23 2HD HIS 23 -20.359 10.229 11.296 148 HE1 HIS 23 1HE HIS 23 -19.840 13.024 8.147 149 HE2 HIS 23 2HE HIS 23 -21.407 11.374 9.227 150 H ASN 24 H ASN 24 -16.041 9.444 9.176 151 HA ASN 24 HA ASN 24 -14.577 11.753 8.300 152 HB2 ASN 24 1HB ASN 24 -13.006 10.274 9.783 153 HB3 ASN 24 2HB ASN 24 -12.952 9.233 8.364 154 HD21 ASN 24 1HD2 ASN 24 -10.617 10.045 8.914 155 HD22 ASN 24 2HD2 ASN 24 -10.092 11.389 7.964 156 H ASN 25 H ASN 25 -13.985 11.645 6.065 157 HA ASN 25 HA ASN 25 -15.440 9.542 4.603 158 HB2 ASN 25 1HB ASN 25 -15.724 11.176 2.790 159 HB3 ASN 25 2HB ASN 25 -16.408 11.775 4.299 160 HD21 ASN 25 1HD2 ASN 25 -15.010 12.877 1.726 161 HD22 ASN 25 2HD2 ASN 25 -13.992 14.117 2.367 162 H SER 26 H SER 26 -12.427 11.205 4.997 163 HA SER 26 HA SER 26 -11.281 9.778 2.699 164 HB2 SER 26 1HB SER 26 -10.232 12.125 4.296 165 HB3 SER 26 2HB SER 26 -9.341 11.330 2.999 166 HG SER 26 HG SER 26 -11.450 11.814 1.790 167 H ALA 27 H ALA 27 -9.493 8.450 2.922 168 HA ALA 27 HA ALA 27 -8.936 7.578 5.678 169 HB1 ALA 27 1HB ALA 27 -9.748 5.690 4.668 170 HB2 ALA 27 2HB ALA 27 -9.104 6.125 3.085 171 HB3 ALA 27 3HB ALA 27 -8.025 5.509 4.336 172 H THR 28 H THR 28 -7.037 8.162 6.475 173 HA THR 28 HA THR 28 -4.882 8.932 4.656 174 HB THR 28 HB THR 28 -5.075 9.278 7.654 175 HG1 THR 28 1HG THR 28 -6.578 10.597 6.624 176 HG21 THR 28 1HG2 THR 28 -3.301 11.138 6.624 177 HG22 THR 28 2HG2 THR 28 -2.915 9.658 5.747 178 HG23 THR 28 3HG2 THR 28 -2.878 9.674 7.510 179 H LEU 29 H LEU 29 -3.136 7.713 4.326 180 HA LEU 29 HA LEU 29 -2.690 5.418 6.119 181 HB2 LEU 29 1HB LEU 29 -2.477 5.734 3.165 182 HB3 LEU 29 2HB LEU 29 -1.398 4.600 3.975 183 HG LEU 29 HG LEU 29 -3.678 3.807 2.946 184 HD11 LEU 29 1HD1 LEU 29 -2.779 1.999 3.879 185 HD12 LEU 29 2HD1 LEU 29 -3.721 2.384 5.319 186 HD13 LEU 29 3HD1 LEU 29 -2.052 2.939 5.182 187 HD21 LEU 29 1HD2 LEU 29 -4.566 4.572 5.719 188 HD22 LEU 29 2HD2 LEU 29 -5.531 3.856 4.428 189 HD23 LEU 29 3HD2 LEU 29 -4.953 5.516 4.281 190 H SER 30 H SER 30 -0.849 5.390 7.222 191 HA SER 30 HA SER 30 1.461 6.877 6.177 192 HB2 SER 30 1HB SER 30 1.952 7.775 8.377 193 HB3 SER 30 2HB SER 30 0.306 8.223 7.931 194 HG SER 30 HG SER 30 1.197 6.361 9.834 195 H TRP 31 H TRP 31 1.728 4.479 5.557 196 HA TRP 31 HA TRP 31 2.410 2.582 7.537 197 HB2 TRP 31 1HB TRP 31 3.451 1.330 5.653 198 HB3 TRP 31 2HB TRP 31 1.807 1.860 5.308 199 HD1 TRP 31 HD TRP 31 5.386 2.277 4.144 200 HE1 TRP 31 1HE TRP 31 5.417 3.679 1.986 201 HE3 TRP 31 3HE TRP 31 0.506 3.799 4.096 202 HZ2 TRP 31 2HZ TRP 31 3.611 5.225 0.465 203 HZ3 TRP 31 3HZ TRP 31 -0.262 5.238 2.255 204 HH2 TRP 31 HH TRP 31 1.260 5.936 0.478 205 H LYS 32 H LYS 32 4.437 1.826 8.216 206 HA LYS 32 HA LYS 32 6.726 3.581 7.648 207 HB2 LYS 32 1HB LYS 32 7.335 3.716 9.937 208 HB3 LYS 32 2HB LYS 32 5.621 4.104 9.865 209 HG2 LYS 32 1HG LYS 32 4.999 2.200 10.948 210 HG3 LYS 32 2HG LYS 32 6.388 1.281 10.365 211 HD2 LYS 32 1HD LYS 32 7.699 3.030 11.869 212 HD3 LYS 32 2HD LYS 32 6.148 3.092 12.710 213 HE2 LYS 32 1HE LYS 32 6.222 0.794 13.225 214 HE3 LYS 32 2HE LYS 32 7.521 0.496 12.071 215 HZ1 LYS 32 1HZ LYS 32 7.762 2.075 14.574 216 HZ2 LYS 32 2HZ LYS 32 9.008 1.792 13.467 217 HZ3 LYS 32 3HZ LYS 32 8.343 0.504 14.339 218 H GLN 33 H GLN 33 8.823 2.580 8.271 219 HA GLN 33 HA GLN 33 8.831 -0.207 7.445 220 HB2 GLN 33 1HB GLN 33 10.970 1.882 7.770 221 HB3 GLN 33 2HB GLN 33 11.376 0.188 7.528 222 HG2 GLN 33 1HG GLN 33 9.488 1.487 5.634 223 HG3 GLN 33 2HG GLN 33 11.208 1.855 5.512 224 HE21 GLN 33 1HE2 GLN 33 12.256 0.636 4.131 225 HE22 GLN 33 2HE2 GLN 33 11.881 -0.997 3.713 226 HA PRO 34 HA PRO 34 9.499 -1.962 11.412 227 HB2 PRO 34 1HB PRO 34 11.082 -4.075 10.781 228 HB3 PRO 34 2HB PRO 34 9.359 -4.015 10.391 229 HG2 PRO 34 1HG PRO 34 11.720 -3.450 8.639 230 HG3 PRO 34 2HG PRO 34 10.245 -4.361 8.268 231 HD2 PRO 34 1HD PRO 34 10.613 -1.800 7.471 232 HD3 PRO 34 2HD PRO 34 9.013 -2.453 7.878 233 HA PRO 35 HA PRO 35 13.292 -0.579 13.158 234 HB2 PRO 35 1HB PRO 35 13.632 -2.348 15.190 235 HB3 PRO 35 2HB PRO 35 12.400 -1.081 15.215 236 HG2 PRO 35 1HG PRO 35 12.121 -3.982 14.533 237 HG3 PRO 35 2HG PRO 35 11.059 -2.957 15.516 238 HD2 PRO 35 1HD PRO 35 10.507 -3.578 12.939 239 HD3 PRO 35 2HD PRO 35 10.036 -2.030 13.670 240 H LEU 36 H LEU 36 13.126 -4.104 12.701 241 HA LEU 36 HA LEU 36 15.999 -4.337 12.540 242 HB2 LEU 36 1HB LEU 36 15.234 -6.732 11.749 243 HB3 LEU 36 2HB LEU 36 15.186 -6.254 13.445 244 HG LEU 36 HG LEU 36 12.815 -5.925 13.352 245 HD11 LEU 36 1HD1 LEU 36 11.502 -6.115 11.386 246 HD12 LEU 36 2HD1 LEU 36 12.878 -6.681 10.440 247 HD13 LEU 36 3HD1 LEU 36 12.827 -5.013 11.011 248 HD21 LEU 36 1HD2 LEU 36 13.025 -8.130 13.831 249 HD22 LEU 36 2HD2 LEU 36 13.971 -8.470 12.382 250 HD23 LEU 36 3HD2 LEU 36 12.220 -8.293 12.271 251 H SER 37 H SER 37 13.914 -3.042 10.482 252 HA SER 37 HA SER 37 13.977 -4.183 8.039 253 HB2 SER 37 1HB SER 37 13.911 -1.976 7.055 254 HB3 SER 37 2HB SER 37 13.020 -1.934 8.576 255 HG SER 37 HG SER 37 14.307 -0.362 9.082 256 H THR 38 H THR 38 15.696 -5.427 7.464 257 HA THR 38 HA THR 38 18.384 -4.310 7.521 258 HB THR 38 HB THR 38 19.082 -6.567 6.714 259 HG1 THR 38 1HG THR 38 17.516 -8.188 6.598 260 HG21 THR 38 1HG2 THR 38 19.295 -7.014 8.885 261 HG22 THR 38 2HG2 THR 38 17.606 -7.519 8.951 262 HG23 THR 38 3HG2 THR 38 18.037 -5.836 9.254 263 H VAL 39 H VAL 39 15.797 -4.699 5.327 264 HA VAL 39 HA VAL 39 17.592 -4.093 3.067 265 HB VAL 39 HB VAL 39 14.888 -5.399 2.809 266 HG11 VAL 39 1HG1 VAL 39 17.113 -4.704 0.956 267 HG12 VAL 39 2HG1 VAL 39 16.139 -6.136 0.618 268 HG13 VAL 39 3HG1 VAL 39 15.371 -4.552 0.734 269 HG21 VAL 39 1HG2 VAL 39 16.744 -6.688 4.117 270 HG22 VAL 39 2HG2 VAL 39 15.812 -7.510 2.866 271 HG23 VAL 39 3HG2 VAL 39 17.437 -6.924 2.512 272 HA PRO 40 HA PRO 40 15.374 -0.230 3.082 273 HB2 PRO 40 1HB PRO 40 16.641 0.826 0.926 274 HB3 PRO 40 2HB PRO 40 17.380 0.744 2.530 275 HG2 PRO 40 1HG PRO 40 17.760 -1.065 0.175 276 HG3 PRO 40 2HG PRO 40 18.973 -0.410 1.291 277 HD2 PRO 40 1HD PRO 40 18.015 -2.934 1.498 278 HD3 PRO 40 2HD PRO 40 18.515 -1.984 2.911 279 H ALA 41 H ALA 41 13.992 0.971 1.605 280 HA ALA 41 HA ALA 41 12.876 -0.739 -0.522 281 HB1 ALA 41 1HB ALA 41 11.546 1.017 1.499 282 HB2 ALA 41 2HB ALA 41 10.755 0.677 -0.041 283 HB3 ALA 41 3HB ALA 41 11.178 -0.647 1.045 284 H ASP 42 H ASP 42 11.963 0.348 -2.368 285 HA ASP 42 HA ASP 42 13.298 2.915 -2.914 286 HB2 ASP 42 1HB ASP 42 12.653 0.550 -4.631 287 HB3 ASP 42 2HB ASP 42 12.756 2.144 -5.373 288 H GLY 43 H GLY 43 10.269 1.131 -3.235 289 HA2 GLY 43 1HA GLY 43 8.818 3.653 -3.258 290 HA3 GLY 43 2HA GLY 43 8.631 2.654 -4.692 291 H TYR 44 H TYR 44 6.396 3.241 -3.350 292 HA TYR 44 HA TYR 44 5.670 0.656 -2.177 293 HB2 TYR 44 1HB TYR 44 4.878 3.320 -0.983 294 HB3 TYR 44 2HB TYR 44 4.384 1.734 -0.401 295 HD1 TYR 44 2HD TYR 44 7.344 3.921 -0.894 296 HD2 TYR 44 1HD TYR 44 5.719 0.549 1.128 297 HE1 TYR 44 2HE TYR 44 9.324 3.848 0.563 298 HE2 TYR 44 1HE TYR 44 7.694 0.466 2.591 299 HH TYR 44 HH TYR 44 9.464 1.891 3.377 300 H ILE 45 H ILE 45 3.743 -0.110 -2.841 301 HA ILE 45 HA ILE 45 2.098 1.668 -4.518 302 HB ILE 45 HB ILE 45 2.362 -1.337 -4.682 303 HG12 ILE 45 1HG1 ILE 45 3.192 0.633 -6.795 304 HG13 ILE 45 2HG1 ILE 45 4.290 0.205 -5.487 305 HG21 ILE 45 1HG2 ILE 45 0.721 -1.383 -6.249 306 HG22 ILE 45 2HG2 ILE 45 0.157 0.010 -5.328 307 HG23 ILE 45 3HG2 ILE 45 1.066 0.249 -6.820 308 HD11 ILE 45 1HD1 ILE 45 3.236 -2.190 -6.585 309 HD12 ILE 45 2HD1 ILE 45 3.811 -1.169 -7.904 310 HD13 ILE 45 3HD1 ILE 45 4.900 -1.606 -6.588 311 H LEU 46 H LEU 46 0.070 2.053 -3.907 312 HA LEU 46 HA LEU 46 -0.988 0.595 -1.604 313 HB2 LEU 46 1HB LEU 46 -1.514 3.250 -2.843 314 HB3 LEU 46 2HB LEU 46 -2.797 2.487 -1.906 315 HG LEU 46 HG LEU 46 -0.044 3.019 -0.807 316 HD11 LEU 46 1HD1 LEU 46 -2.478 4.697 -0.290 317 HD12 LEU 46 2HD1 LEU 46 -1.319 5.087 -1.560 318 HD13 LEU 46 3HD1 LEU 46 -0.796 5.035 0.123 319 HD21 LEU 46 1HD2 LEU 46 -1.265 1.309 0.378 320 HD22 LEU 46 2HD2 LEU 46 -2.691 2.343 0.470 321 HD23 LEU 46 3HD2 LEU 46 -1.227 2.780 1.350 322 H GLU 47 H GLU 47 -3.175 -0.165 -1.575 323 HA GLU 47 HA GLU 47 -4.562 -0.415 -4.115 324 HB2 GLU 47 1HB GLU 47 -3.673 -2.850 -2.558 325 HB3 GLU 47 2HB GLU 47 -4.724 -2.863 -3.968 326 HG2 GLU 47 1HG GLU 47 -2.597 -3.467 -4.747 327 HG3 GLU 47 2HG GLU 47 -2.828 -1.791 -5.239 328 H LEU 48 H LEU 48 -6.724 -0.467 -3.866 329 HA LEU 48 HA LEU 48 -7.888 -1.283 -1.325 330 HB2 LEU 48 1HB LEU 48 -7.517 1.032 -0.908 331 HB3 LEU 48 2HB LEU 48 -8.151 1.479 -2.490 332 HG LEU 48 HG LEU 48 -10.352 0.367 -1.509 333 HD11 LEU 48 1HD1 LEU 48 -8.601 0.505 0.759 334 HD12 LEU 48 2HD1 LEU 48 -10.231 -0.156 0.642 335 HD13 LEU 48 3HD1 LEU 48 -9.997 1.554 1.005 336 HD21 LEU 48 1HD2 LEU 48 -10.883 2.705 -0.572 337 HD22 LEU 48 2HD2 LEU 48 -10.466 2.561 -2.280 338 HD23 LEU 48 3HD2 LEU 48 -9.263 3.133 -1.123 339 H ASP 49 H ASP 49 -10.033 -1.919 -1.468 340 HA ASP 49 HA ASP 49 -10.943 -2.521 -4.156 341 HB2 ASP 49 1HB ASP 49 -12.463 -4.036 -3.161 342 HB3 ASP 49 2HB ASP 49 -10.994 -4.156 -2.195 343 H ASP 50 H ASP 50 -13.555 -2.466 -4.213 344 HA ASP 50 HA ASP 50 -14.201 0.375 -3.928 345 HB2 ASP 50 1HB ASP 50 -15.265 -1.846 -5.644 346 HB3 ASP 50 2HB ASP 50 -16.234 -0.401 -5.368 347 H GLY 51 H GLY 51 -14.200 -1.006 -1.537 348 HA2 GLY 51 1HA GLY 51 -15.498 -1.499 0.294 349 HA3 GLY 51 2HA GLY 51 -16.617 -0.328 -0.389 350 H ASN 52 H ASN 52 -15.810 -3.215 -2.147 351 HA ASN 52 HA ASN 52 -18.548 -4.186 -1.691 352 HB2 ASN 52 1HB ASN 52 -16.678 -4.350 -4.029 353 HB3 ASN 52 2HB ASN 52 -17.944 -5.559 -3.839 354 HD21 ASN 52 1HD2 ASN 52 -20.156 -4.605 -3.401 355 HD22 ASN 52 2HD2 ASN 52 -20.601 -3.235 -4.354 356 H GLY 53 H GLY 53 -15.206 -4.950 -1.321 357 HA2 GLY 53 1HA GLY 53 -14.311 -6.631 0.024 358 HA3 GLY 53 2HA GLY 53 -15.904 -7.366 0.123 359 H GLY 54 H GLY 54 -14.172 -6.509 -2.833 360 HA2 GLY 54 1HA GLY 54 -14.115 -9.387 -3.497 361 HA3 GLY 54 2HA GLY 54 -14.354 -8.111 -4.681 362 H GLN 55 H GLN 55 -12.617 -7.189 -5.637 363 HA GLN 55 HA GLN 55 -9.981 -8.189 -4.794 364 HB2 GLN 55 1HB GLN 55 -9.278 -7.693 -7.137 365 HB3 GLN 55 2HB GLN 55 -10.524 -8.928 -7.013 366 HG2 GLN 55 1HG GLN 55 -12.221 -7.314 -7.641 367 HG3 GLN 55 2HG GLN 55 -11.006 -6.038 -7.703 368 HE21 GLN 55 1HE2 GLN 55 -12.822 -7.190 -9.758 369 HE22 GLN 55 2HE2 GLN 55 -11.789 -7.635 -11.069 370 H PHE 56 H PHE 56 -8.141 -6.681 -5.402 371 HA PHE 56 HA PHE 56 -8.900 -3.917 -4.720 372 HB2 PHE 56 1HB PHE 56 -6.257 -5.254 -4.120 373 HB3 PHE 56 2HB PHE 56 -6.807 -3.682 -3.551 374 HD1 PHE 56 1HD PHE 56 -8.008 -7.218 -3.518 375 HD2 PHE 56 2HD PHE 56 -7.491 -3.580 -1.371 376 HE1 PHE 56 1HE PHE 56 -8.938 -8.279 -1.503 377 HE2 PHE 56 2HE PHE 56 -8.419 -4.635 0.648 378 HZ PHE 56 HZ PHE 56 -9.143 -6.988 0.584 379 H ARG 57 H ARG 57 -7.622 -2.211 -5.631 380 HA ARG 57 HA ARG 57 -6.039 -2.947 -7.989 381 HB2 ARG 57 1HB ARG 57 -7.171 -1.397 -9.404 382 HB3 ARG 57 2HB ARG 57 -8.406 -2.392 -8.642 383 HG2 ARG 57 1HG ARG 57 -7.646 0.235 -7.440 384 HG3 ARG 57 2HG ARG 57 -8.747 0.167 -8.817 385 HD2 ARG 57 1HD ARG 57 -9.229 -1.577 -6.439 386 HD3 ARG 57 2HD ARG 57 -9.686 0.125 -6.383 387 HE ARG 57 HE ARG 57 -11.318 -0.276 -8.004 388 HH11 ARG 57 2HH1 ARG 57 -9.478 -3.143 -7.290 389 HH12 ARG 57 1HH1 ARG 57 -10.607 -4.215 -8.050 390 HH21 ARG 57 2HH2 ARG 57 -12.813 -1.676 -9.006 391 HH22 ARG 57 1HH2 ARG 57 -12.504 -3.379 -9.026 392 H GLU 58 H GLU 58 -4.554 -1.323 -8.692 393 HA GLU 58 HA GLU 58 -3.193 -0.020 -6.639 394 HB2 GLU 58 1HB GLU 58 -3.131 0.245 -9.630 395 HB3 GLU 58 2HB GLU 58 -2.153 1.299 -8.618 396 HG2 GLU 58 1HG GLU 58 -1.084 -0.676 -7.624 397 HG3 GLU 58 2HG GLU 58 -2.033 -1.708 -8.693 398 H VAL 59 H VAL 59 -3.589 1.788 -5.560 399 HA VAL 59 HA VAL 59 -5.498 3.717 -6.701 400 HB VAL 59 HB VAL 59 -5.952 4.459 -4.433 401 HG11 VAL 59 1HG1 VAL 59 -6.751 2.084 -5.536 402 HG12 VAL 59 2HG1 VAL 59 -6.196 1.591 -3.935 403 HG13 VAL 59 3HG1 VAL 59 -7.445 2.826 -4.095 404 HG21 VAL 59 1HG2 VAL 59 -4.018 4.256 -3.197 405 HG22 VAL 59 2HG2 VAL 59 -4.966 2.903 -2.580 406 HG23 VAL 59 3HG2 VAL 59 -3.695 2.620 -3.770 407 H TYR 60 H TYR 60 -2.305 3.325 -5.354 408 HA TYR 60 HA TYR 60 -1.523 5.906 -6.387 409 HB2 TYR 60 1HB TYR 60 -2.031 6.884 -4.379 410 HB3 TYR 60 2HB TYR 60 -1.834 5.387 -3.476 411 HD1 TYR 60 1HD TYR 60 0.377 4.680 -2.705 412 HD2 TYR 60 2HD TYR 60 -0.159 8.357 -4.777 413 HE1 TYR 60 1HE TYR 60 2.600 5.419 -1.955 414 HE2 TYR 60 2HE TYR 60 2.063 9.106 -4.034 415 HH TYR 60 HH TYR 60 4.316 6.981 -2.543 416 H VAL 61 H VAL 61 0.800 6.221 -6.353 417 HA VAL 61 HA VAL 61 2.484 4.009 -5.568 418 HB VAL 61 HB VAL 61 2.331 4.746 -8.493 419 HG11 VAL 61 1HG1 VAL 61 4.533 4.093 -8.049 420 HG12 VAL 61 2HG1 VAL 61 4.028 2.838 -6.915 421 HG13 VAL 61 3HG1 VAL 61 3.758 2.626 -8.646 422 HG21 VAL 61 1HG2 VAL 61 0.358 3.507 -7.946 423 HG22 VAL 61 2HG2 VAL 61 1.471 2.416 -8.773 424 HG23 VAL 61 3HG2 VAL 61 1.290 2.330 -7.020 425 H GLY 62 H GLY 62 4.538 4.652 -5.160 426 HA2 GLY 62 1HA GLY 62 5.973 6.671 -6.411 427 HA3 GLY 62 2HA GLY 62 5.107 7.434 -5.085 428 H LYS 63 H LYS 63 6.797 7.906 -3.764 429 HA LYS 63 HA LYS 63 8.229 5.599 -2.633 430 HB2 LYS 63 1HB LYS 63 10.220 7.155 -2.380 431 HB3 LYS 63 2HB LYS 63 9.864 6.609 -4.014 432 HG2 LYS 63 1HG LYS 63 10.228 8.824 -4.397 433 HG3 LYS 63 2HG LYS 63 8.487 8.846 -4.111 434 HD2 LYS 63 1HD LYS 63 9.196 10.576 -2.761 435 HD3 LYS 63 2HD LYS 63 9.191 9.226 -1.624 436 HE2 LYS 63 1HE LYS 63 11.640 8.911 -2.230 437 HE3 LYS 63 2HE LYS 63 11.541 10.486 -3.015 438 HZ1 LYS 63 1HZ LYS 63 10.584 10.285 -0.261 439 HZ2 LYS 63 2HZ LYS 63 11.370 11.563 -1.041 440 HZ3 LYS 63 3HZ LYS 63 12.257 10.225 -0.508 441 H GLU 64 H GLU 64 6.142 8.060 -2.076 442 HA GLU 64 HA GLU 64 7.103 9.056 0.421 443 HB2 GLU 64 1HB GLU 64 4.302 9.086 -0.717 444 HB3 GLU 64 2HB GLU 64 4.863 10.035 0.653 445 HG2 GLU 64 1HG GLU 64 6.039 10.261 -2.103 446 HG3 GLU 64 2HG GLU 64 4.703 11.257 -1.529 447 H THR 65 H THR 65 5.671 8.841 2.426 448 HA THR 65 HA THR 65 4.861 6.026 2.755 449 HB THR 65 HB THR 65 5.657 6.121 5.076 450 HG1 THR 65 1HG THR 65 6.144 8.779 4.360 451 HG21 THR 65 1HG2 THR 65 8.187 6.591 4.404 452 HG22 THR 65 2HG2 THR 65 7.495 6.556 2.782 453 HG23 THR 65 3HG2 THR 65 7.323 5.159 3.844 454 H MET 66 H MET 66 3.748 9.098 2.643 455 HA MET 66 HA MET 66 1.466 8.437 4.369 456 HB2 MET 66 1HB MET 66 3.058 10.066 5.476 457 HB3 MET 66 2HB MET 66 2.647 11.209 4.205 458 HG2 MET 66 1HG MET 66 0.439 9.966 5.753 459 HG3 MET 66 2HG MET 66 1.412 11.215 6.525 460 HE1 MET 66 1HE MET 66 -2.171 11.483 4.502 461 HE2 MET 66 2HE MET 66 -1.270 11.197 3.014 462 HE3 MET 66 3HE MET 66 -1.108 10.081 4.371 463 H CYS 67 H CYS 67 -0.238 8.286 3.075 464 HA CYS 67 HA CYS 67 -0.802 10.443 1.203 465 HB2 CYS 67 1HB CYS 67 -0.213 7.628 0.421 466 HB3 CYS 67 2HB CYS 67 -1.503 8.464 -0.436 467 HG CYS 67 HG CYS 67 1.792 9.367 -0.299 468 H THR 68 H THR 68 -2.956 10.824 0.919 469 HA THR 68 HA THR 68 -4.820 8.976 2.259 470 HB THR 68 HB THR 68 -4.971 11.997 2.253 471 HG1 THR 68 1HG THR 68 -4.762 11.527 4.613 472 HG21 THR 68 1HG2 THR 68 -6.954 11.816 3.522 473 HG22 THR 68 2HG2 THR 68 -6.726 10.087 3.780 474 HG23 THR 68 3HG2 THR 68 -7.157 10.690 2.181 475 H VAL 69 H VAL 69 -6.726 8.541 1.241 476 HA VAL 69 HA VAL 69 -6.969 9.524 -1.509 477 HB VAL 69 HB VAL 69 -6.952 7.056 -1.069 478 HG11 VAL 69 1HG1 VAL 69 -8.475 7.463 1.028 479 HG12 VAL 69 2HG1 VAL 69 -9.778 7.267 -0.146 480 HG13 VAL 69 3HG1 VAL 69 -8.605 5.972 0.097 481 HG21 VAL 69 1HG2 VAL 69 -8.394 6.612 -2.809 482 HG22 VAL 69 2HG2 VAL 69 -9.605 7.761 -2.242 483 HG23 VAL 69 3HG2 VAL 69 -8.131 8.343 -3.015 484 H ASP 70 H ASP 70 -8.887 10.385 -2.317 485 HA ASP 70 HA ASP 70 -10.813 11.272 -0.269 486 HB2 ASP 70 1HB ASP 70 -9.945 13.292 -0.911 487 HB3 ASP 70 2HB ASP 70 -9.506 12.715 -2.517 488 H GLY 71 H GLY 71 -13.002 11.222 -0.759 489 HA2 GLY 71 1HA GLY 71 -14.912 10.755 -2.009 490 HA3 GLY 71 2HA GLY 71 -13.886 10.350 -3.377 491 H LEU 72 H LEU 72 -14.643 9.131 -0.113 492 HA LEU 72 HA LEU 72 -14.531 6.404 -1.223 493 HB2 LEU 72 1HB LEU 72 -14.108 7.306 1.622 494 HB3 LEU 72 2HB LEU 72 -14.041 5.640 1.050 495 HG LEU 72 HG LEU 72 -12.147 7.824 0.187 496 HD11 LEU 72 1HD1 LEU 72 -11.994 7.202 2.608 497 HD12 LEU 72 2HD1 LEU 72 -10.536 6.891 1.666 498 HD13 LEU 72 3HD1 LEU 72 -11.609 5.559 2.095 499 HD21 LEU 72 1HD2 LEU 72 -11.574 6.400 -1.415 500 HD22 LEU 72 2HD2 LEU 72 -12.710 5.194 -0.809 501 HD23 LEU 72 3HD2 LEU 72 -11.067 5.259 -0.169 502 H HIS 73 H HIS 73 -16.247 5.068 -0.978 503 HA HIS 73 HA HIS 73 -18.800 6.080 -0.592 504 HB2 HIS 73 1HB HIS 73 -17.662 3.307 -0.558 505 HB3 HIS 73 2HB HIS 73 -19.355 3.561 -0.145 506 HD1 HIS 73 1HD HIS 73 -17.878 2.241 -2.811 507 HD2 HIS 73 2HD HIS 73 -20.099 5.738 -2.488 508 HE1 HIS 73 1HE HIS 73 -18.730 2.712 -5.129 509 HE2 HIS 73 2HE HIS 73 -20.000 4.878 -4.926 510 H PHE 74 H PHE 74 -20.214 6.184 1.105 511 HA PHE 74 HA PHE 74 -19.031 5.806 3.767 512 HB2 PHE 74 1HB PHE 74 -21.031 7.273 4.462 513 HB3 PHE 74 2HB PHE 74 -19.721 8.041 3.572 514 HD1 PHE 74 1HD PHE 74 -20.020 8.708 1.245 515 HD2 PHE 74 2HD PHE 74 -23.208 7.010 3.498 516 HE1 PHE 74 1HE PHE 74 -21.629 9.504 -0.437 517 HE2 PHE 74 2HE PHE 74 -24.821 7.802 1.818 518 HZ PHE 74 HZ PHE 74 -24.033 9.050 -0.153 519 H ASN 75 H ASN 75 -20.174 4.755 5.413 520 HA ASN 75 HA ASN 75 -21.629 3.275 6.361 521 HB2 ASN 75 1HB ASN 75 -23.304 4.767 4.941 522 HB3 ASN 75 2HB ASN 75 -23.452 3.288 3.997 523 HD21 ASN 75 1HD2 ASN 75 -22.844 1.759 6.535 524 HD22 ASN 75 2HD2 ASN 75 -24.355 1.724 7.373 525 H SER 76 H SER 76 -19.456 2.509 4.590 526 HA SER 76 HA SER 76 -20.307 -0.234 4.092 527 HB2 SER 76 1HB SER 76 -19.384 1.676 1.990 528 HB3 SER 76 2HB SER 76 -18.872 -0.007 1.872 529 HG SER 76 HG SER 76 -20.969 0.699 0.855 530 H THR 77 H THR 77 -18.608 -1.745 4.096 531 HA THR 77 HA THR 77 -16.311 -0.899 5.632 532 HB THR 77 HB THR 77 -16.853 -3.669 4.560 533 HG1 THR 77 1HG THR 77 -17.952 -4.029 6.515 534 HG21 THR 77 1HG2 THR 77 -15.229 -4.412 5.971 535 HG22 THR 77 2HG2 THR 77 -15.542 -3.155 7.168 536 HG23 THR 77 3HG2 THR 77 -14.612 -2.780 5.718 537 H TYR 78 H TYR 78 -14.171 -0.988 5.008 538 HA TYR 78 HA TYR 78 -13.646 -1.522 2.162 539 HB2 TYR 78 1HB TYR 78 -13.086 0.922 3.750 540 HB3 TYR 78 2HB TYR 78 -11.826 0.398 2.639 541 HD1 TYR 78 1HD TYR 78 -15.388 1.399 2.846 542 HD2 TYR 78 2HD TYR 78 -12.028 0.765 0.314 543 HE1 TYR 78 1HE TYR 78 -16.595 2.465 0.987 544 HE2 TYR 78 2HE TYR 78 -13.225 1.830 -1.552 545 HH TYR 78 HH TYR 78 -15.038 3.000 -2.147 546 H ASN 79 H ASN 79 -11.300 -1.857 1.708 547 HA ASN 79 HA ASN 79 -9.728 -2.788 3.978 548 HB2 ASN 79 1HB ASN 79 -10.352 -4.589 1.628 549 HB3 ASN 79 2HB ASN 79 -9.315 -4.982 2.995 550 HD21 ASN 79 1HD2 ASN 79 -10.450 -4.688 5.172 551 HD22 ASN 79 2HD2 ASN 79 -12.047 -5.339 5.278 552 H ALA 80 H ALA 80 -7.742 -2.020 3.757 553 HA ALA 80 HA ALA 80 -6.691 -1.594 1.034 554 HB1 ALA 80 1HB ALA 80 -6.116 0.040 3.503 555 HB2 ALA 80 2HB ALA 80 -5.424 0.302 1.902 556 HB3 ALA 80 3HB ALA 80 -7.154 0.522 2.161 557 H ARG 81 H ARG 81 -4.326 -1.694 0.851 558 HA ARG 81 HA ARG 81 -2.847 -3.022 2.939 559 HB2 ARG 81 1HB ARG 81 -2.229 -4.851 1.114 560 HB3 ARG 81 2HB ARG 81 -3.582 -5.062 2.218 561 HG2 ARG 81 1HG ARG 81 -5.156 -4.496 0.561 562 HG3 ARG 81 2HG ARG 81 -3.909 -3.859 -0.512 563 HD2 ARG 81 1HD ARG 81 -4.840 -6.142 -1.096 564 HD3 ARG 81 2HD ARG 81 -3.084 -6.012 -0.998 565 HE ARG 81 HE ARG 81 -3.128 -7.525 0.705 566 HH11 ARG 81 2HH1 ARG 81 -6.287 -6.091 0.415 567 HH12 ARG 81 1HH1 ARG 81 -7.007 -7.122 1.607 568 HH21 ARG 81 2HH2 ARG 81 -4.064 -8.888 2.276 569 HH22 ARG 81 1HH2 ARG 81 -5.742 -8.712 2.665 570 H VAL 82 H VAL 82 -0.946 -2.040 2.914 571 HA VAL 82 HA VAL 82 0.084 -0.980 0.378 572 HB VAL 82 HB VAL 82 -0.198 0.485 2.474 573 HG11 VAL 82 1HG1 VAL 82 2.501 -0.435 3.291 574 HG12 VAL 82 2HG1 VAL 82 1.202 0.272 4.255 575 HG13 VAL 82 3HG1 VAL 82 1.122 -1.423 3.773 576 HG21 VAL 82 1HG2 VAL 82 2.230 0.314 0.740 577 HG22 VAL 82 2HG2 VAL 82 0.920 1.495 0.720 578 HG23 VAL 82 3HG2 VAL 82 2.132 1.545 2.000 579 H LYS 83 H LYS 83 1.946 -1.678 -0.507 580 HA LYS 83 HA LYS 83 3.630 -3.519 1.047 581 HB2 LYS 83 1HB LYS 83 3.879 -4.959 -0.930 582 HB3 LYS 83 2HB LYS 83 2.207 -4.883 -0.390 583 HG2 LYS 83 1HG LYS 83 1.511 -3.752 -2.241 584 HG3 LYS 83 2HG LYS 83 3.079 -2.981 -2.495 585 HD2 LYS 83 1HD LYS 83 3.916 -5.350 -3.052 586 HD3 LYS 83 2HD LYS 83 2.207 -5.762 -3.211 587 HE2 LYS 83 1HE LYS 83 2.831 -5.201 -5.381 588 HE3 LYS 83 2HE LYS 83 2.083 -3.723 -4.777 589 HZ1 LYS 83 1HZ LYS 83 4.030 -2.620 -4.806 590 HZ2 LYS 83 2HZ LYS 83 4.451 -3.776 -5.967 591 HZ3 LYS 83 3HZ LYS 83 4.949 -3.969 -4.361 592 H ALA 84 H ALA 84 5.819 -3.742 0.212 593 HA ALA 84 HA ALA 84 6.725 -1.246 -1.040 594 HB1 ALA 84 1HB ALA 84 9.002 -2.117 -0.170 595 HB2 ALA 84 2HB ALA 84 7.840 -1.453 0.979 596 HB3 ALA 84 3HB ALA 84 8.021 -3.200 0.818 597 H PHE 85 H PHE 85 8.475 -1.337 -2.595 598 HA PHE 85 HA PHE 85 9.092 -3.845 -3.869 599 HB2 PHE 85 1HB PHE 85 8.024 -3.536 -5.923 600 HB3 PHE 85 2HB PHE 85 6.802 -3.020 -4.764 601 HD1 PHE 85 1HD PHE 85 9.275 -1.869 -7.231 602 HD2 PHE 85 2HD PHE 85 6.051 -0.766 -4.681 603 HE1 PHE 85 1HE PHE 85 9.120 0.304 -8.374 604 HE2 PHE 85 2HE PHE 85 5.889 1.408 -5.820 605 HZ PHE 85 HZ PHE 85 7.424 1.946 -7.670 606 H ASN 86 H ASN 86 10.935 -3.746 -5.100 607 HA ASN 86 HA ASN 86 12.052 -1.190 -5.875 608 HB2 ASN 86 1HB ASN 86 14.164 -1.526 -4.651 609 HB3 ASN 86 2HB ASN 86 12.798 -1.359 -3.552 610 HD21 ASN 86 1HD2 ASN 86 14.189 -2.373 -1.993 611 HD22 ASN 86 2HD2 ASN 86 14.339 -4.094 -1.969 612 H LYS 87 H LYS 87 14.530 -1.785 -6.590 613 HA LYS 87 HA LYS 87 14.471 -2.998 -8.982 614 HB2 LYS 87 1HB LYS 87 16.642 -2.822 -6.932 615 HB3 LYS 87 2HB LYS 87 16.925 -3.758 -8.394 616 HG2 LYS 87 1HG LYS 87 15.933 -0.937 -8.537 617 HG3 LYS 87 2HG LYS 87 17.650 -1.298 -8.348 618 HD2 LYS 87 1HD LYS 87 17.698 -2.509 -10.404 619 HD3 LYS 87 2HD LYS 87 15.939 -2.451 -10.545 620 HE2 LYS 87 1HE LYS 87 16.033 -0.027 -10.804 621 HE3 LYS 87 2HE LYS 87 17.787 -0.066 -10.625 622 HZ1 LYS 87 1HZ LYS 87 17.505 -1.768 -12.619 623 HZ2 LYS 87 2HZ LYS 87 17.669 -0.103 -12.866 624 HZ3 LYS 87 3HZ LYS 87 16.136 -0.817 -12.905 625 H THR 88 H THR 88 15.031 -4.690 -5.913 626 HA THR 88 HA THR 88 15.530 -7.237 -6.804 627 HB THR 88 HB THR 88 13.776 -6.552 -4.438 628 HG1 THR 88 1HG THR 88 15.936 -6.820 -3.369 629 HG21 THR 88 1HG2 THR 88 14.250 -8.675 -3.588 630 HG22 THR 88 2HG2 THR 88 15.608 -8.916 -4.687 631 HG23 THR 88 3HG2 THR 88 13.956 -8.977 -5.299 632 H GLY 89 H GLY 89 12.289 -6.369 -5.609 633 HA2 GLY 89 1HA GLY 89 10.940 -7.197 -7.974 634 HA3 GLY 89 2HA GLY 89 10.933 -8.482 -6.775 635 H VAL 90 H VAL 90 9.483 -8.417 -5.151 636 HA VAL 90 HA VAL 90 8.214 -5.960 -4.344 637 HB VAL 90 HB VAL 90 5.897 -7.194 -4.782 638 HG11 VAL 90 1HG1 VAL 90 5.583 -5.771 -6.704 639 HG12 VAL 90 2HG1 VAL 90 6.566 -4.924 -5.509 640 HG13 VAL 90 3HG1 VAL 90 7.326 -5.636 -6.932 641 HG21 VAL 90 1HG2 VAL 90 7.654 -8.136 -7.046 642 HG22 VAL 90 2HG2 VAL 90 6.871 -9.154 -5.838 643 HG23 VAL 90 3HG2 VAL 90 5.895 -8.256 -7.000 644 H SER 91 H SER 91 7.065 -6.148 -2.405 645 HA SER 91 HA SER 91 7.559 -8.663 -0.971 646 HB2 SER 91 1HB SER 91 7.445 -5.800 -0.160 647 HB3 SER 91 2HB SER 91 6.902 -6.997 1.016 648 HG SER 91 HG SER 91 8.950 -7.212 1.420 649 HA PRO 92 HA PRO 92 3.306 -9.618 -0.492 650 HB2 PRO 92 1HB PRO 92 3.177 -10.488 2.077 651 HB3 PRO 92 2HB PRO 92 3.947 -11.417 0.785 652 HG2 PRO 92 1HG PRO 92 5.200 -9.663 2.862 653 HG3 PRO 92 2HG PRO 92 5.720 -11.256 2.281 654 HD2 PRO 92 1HD PRO 92 6.862 -8.951 1.434 655 HD3 PRO 92 2HD PRO 92 6.712 -10.382 0.393 656 H TYR 93 H TYR 93 1.392 -8.686 0.064 657 HA TYR 93 HA TYR 93 1.292 -6.074 0.984 658 HB2 TYR 93 1HB TYR 93 -0.841 -8.210 0.919 659 HB3 TYR 93 2HB TYR 93 -1.174 -6.534 1.342 660 HD1 TYR 93 1HD TYR 93 -0.759 -4.741 -0.370 661 HD2 TYR 93 2HD TYR 93 -0.635 -8.882 -1.338 662 HE1 TYR 93 1HE TYR 93 -1.011 -4.185 -2.753 663 HE2 TYR 93 2HE TYR 93 -0.886 -8.338 -3.723 664 HH TYR 93 HH TYR 93 -1.144 -4.968 -4.822 665 H SER 94 H SER 94 -0.016 -5.334 2.928 666 HA SER 94 HA SER 94 1.111 -6.623 5.297 667 HB2 SER 94 1HB SER 94 -0.367 -3.991 5.193 668 HB3 SER 94 2HB SER 94 0.732 -4.566 6.446 669 HG SER 94 HG SER 94 1.280 -3.401 4.002 670 H LYS 95 H LYS 95 -0.287 -6.619 7.290 671 HA LYS 95 HA LYS 95 -2.418 -8.319 7.057 672 HB2 LYS 95 1HB LYS 95 -1.368 -7.889 9.194 673 HB3 LYS 95 2HB LYS 95 -1.925 -6.221 9.176 674 HG2 LYS 95 1HG LYS 95 -3.423 -7.221 10.607 675 HG3 LYS 95 2HG LYS 95 -4.291 -7.275 9.071 676 HD2 LYS 95 1HD LYS 95 -3.577 -9.585 8.739 677 HD3 LYS 95 2HD LYS 95 -2.675 -9.534 10.255 678 HE2 LYS 95 1HE LYS 95 -4.647 -9.376 11.537 679 HE3 LYS 95 2HE LYS 95 -5.628 -8.985 10.125 680 HZ1 LYS 95 1HZ LYS 95 -5.389 -11.198 9.317 681 HZ2 LYS 95 2HZ LYS 95 -5.881 -11.300 10.932 682 HZ3 LYS 95 3HZ LYS 95 -4.266 -11.592 10.520 683 H THR 96 H THR 96 -4.303 -8.123 6.063 684 HA THR 96 HA THR 96 -5.431 -6.077 4.790 685 HB THR 96 HB THR 96 -7.247 -7.735 6.519 686 HG1 THR 96 1HG THR 96 -5.465 -8.587 4.542 687 HG21 THR 96 1HG2 THR 96 -8.113 -7.743 3.887 688 HG22 THR 96 2HG2 THR 96 -7.475 -6.115 4.117 689 HG23 THR 96 3HG2 THR 96 -8.735 -6.728 5.187 690 H LEU 97 H LEU 97 -5.719 -4.023 5.345 691 HA LEU 97 HA LEU 97 -6.484 -3.372 8.099 692 HB2 LEU 97 1HB LEU 97 -4.541 -2.207 7.372 693 HB3 LEU 97 2HB LEU 97 -5.319 -1.728 5.865 694 HG LEU 97 HG LEU 97 -6.950 -0.438 7.441 695 HD11 LEU 97 1HD1 LEU 97 -5.529 0.446 9.405 696 HD12 LEU 97 2HD1 LEU 97 -4.615 -1.049 9.211 697 HD13 LEU 97 3HD1 LEU 97 -6.339 -1.111 9.575 698 HD21 LEU 97 1HD2 LEU 97 -5.641 1.520 7.172 699 HD22 LEU 97 2HD2 LEU 97 -5.282 0.481 5.793 700 HD23 LEU 97 3HD2 LEU 97 -4.139 0.595 7.132 701 H VAL 98 H VAL 98 -8.596 -3.197 8.435 702 HA VAL 98 HA VAL 98 -10.444 -2.616 6.311 703 HB VAL 98 HB VAL 98 -10.936 -2.867 9.282 704 HG11 VAL 98 1HG1 VAL 98 -12.714 -2.392 6.953 705 HG12 VAL 98 2HG1 VAL 98 -13.289 -3.475 8.221 706 HG13 VAL 98 3HG1 VAL 98 -12.844 -1.814 8.614 707 HG21 VAL 98 1HG2 VAL 98 -11.860 -4.985 7.484 708 HG22 VAL 98 2HG2 VAL 98 -10.106 -4.835 7.586 709 HG23 VAL 98 3HG2 VAL 98 -11.055 -5.096 9.049 710 H LEU 99 H LEU 99 -11.686 -0.788 6.025 711 HA LEU 99 HA LEU 99 -11.006 1.544 7.688 712 HB2 LEU 99 1HB LEU 99 -11.557 1.759 4.749 713 HB3 LEU 99 2HB LEU 99 -10.810 2.943 5.820 714 HG LEU 99 HG LEU 99 -9.522 0.348 4.978 715 HD11 LEU 99 1HD1 LEU 99 -9.644 3.001 3.706 716 HD12 LEU 99 2HD1 LEU 99 -9.344 1.413 3.002 717 HD13 LEU 99 3HD1 LEU 99 -8.042 2.273 3.821 718 HD21 LEU 99 1HD2 LEU 99 -8.374 0.859 6.868 719 HD22 LEU 99 2HD2 LEU 99 -8.770 2.576 6.781 720 HD23 LEU 99 3HD2 LEU 99 -7.506 1.908 5.747 721 H GLN 100 H GLN 100 -13.049 0.687 8.717 722 HA GLN 100 HA GLN 100 -15.535 0.796 7.428 723 HB2 GLN 100 1HB GLN 100 -14.624 0.870 10.266 724 HB3 GLN 100 2HB GLN 100 -16.289 1.316 9.919 725 HG2 GLN 100 1HG GLN 100 -16.870 -0.792 9.267 726 HG3 GLN 100 2HG GLN 100 -15.233 -1.204 8.756 727 HE21 GLN 100 1HE2 GLN 100 -13.977 -2.323 10.100 728 HE22 GLN 100 2HE2 GLN 100 -14.362 -2.699 11.741 729 H THR 101 H THR 101 -16.620 2.457 6.628 730 HA THR 101 HA THR 101 -15.855 5.171 7.389 731 HB THR 101 HB THR 101 -17.232 5.882 5.458 732 HG1 THR 101 1HG THR 101 -17.443 3.207 4.623 733 HG21 THR 101 1HG2 THR 101 -14.849 4.222 5.343 734 HG22 THR 101 2HG2 THR 101 -15.225 5.716 4.484 735 HG23 THR 101 3HG2 THR 101 -15.774 4.167 3.843 736 H SER 102 H SER 102 -17.759 6.784 7.380 737 HA SER 102 HA SER 102 -19.589 5.918 9.443 738 HB2 SER 102 1HB SER 102 -20.320 8.324 9.399 739 HB3 SER 102 2HB SER 102 -18.600 8.097 9.713 740 HG SER 102 HG SER 102 -19.494 9.676 7.972 741 H GLU 103 H GLU 103 -21.881 6.148 9.331 742 HA GLU 103 HA GLU 103 -22.980 5.212 6.872 743 HB2 GLU 103 1HB GLU 103 -25.143 5.306 8.064 744 HB3 GLU 103 2HB GLU 103 -23.905 4.460 8.982 745 HG2 GLU 103 1HG GLU 103 -24.386 7.364 9.464 746 HG3 GLU 103 2HG GLU 103 -25.469 6.161 10.161 747 H GLY 104 H GLY 104 -22.150 8.266 7.892 748 HA2 GLY 104 1HA GLY 104 -22.386 10.203 6.573 749 HA3 GLY 104 2HA GLY 104 -23.766 9.464 5.775 750 H SER 105 H SER 105 -22.899 11.896 7.773 751 HA SER 105 HA SER 105 -25.631 12.180 8.760 752 HB2 SER 105 1HB SER 105 -24.960 12.663 11.026 753 HB3 SER 105 2HB SER 105 -24.282 11.098 10.579 754 HG SER 105 HG SER 105 -22.778 12.516 11.639 755 H GLY 106 H GLY 106 -26.123 14.376 9.472 756 HA2 GLY 106 1HA GLY 106 -25.152 16.318 7.681 757 HA3 GLY 106 2HA GLY 106 -26.147 16.639 9.094 758 HA PRO 107 HA PRO 107 -21.484 17.786 9.617 759 HB2 PRO 107 1HB PRO 107 -21.375 20.250 8.482 760 HB3 PRO 107 2HB PRO 107 -20.995 18.767 7.598 761 HG2 PRO 107 1HG PRO 107 -23.525 20.367 7.614 762 HG3 PRO 107 2HG PRO 107 -22.677 19.628 6.243 763 HD2 PRO 107 1HD PRO 107 -24.853 18.497 7.393 764 HD3 PRO 107 2HD PRO 107 -23.545 17.536 6.673 765 H SER 108 H SER 108 -21.015 18.759 11.500 766 HA SER 108 HA SER 108 -23.053 19.995 13.033 767 HB2 SER 108 1HB SER 108 -21.050 18.675 13.902 768 HB3 SER 108 2HB SER 108 -20.096 20.132 13.628 769 HG SER 108 HG SER 108 -21.702 21.206 14.997 770 H SER 109 H SER 109 -20.060 21.287 11.598 771 HA SER 109 HA SER 109 -21.347 23.841 11.158 772 HB2 SER 109 1HB SER 109 -19.837 25.170 12.455 773 HB3 SER 109 2HB SER 109 -20.452 23.911 13.525 774 HG SER 109 HG SER 109 -18.529 22.966 13.553 775 H GLY 110 H GLY 110 -19.860 25.372 10.002 776 HA2 GLY 110 1HA GLY 110 -17.726 23.969 8.539 777 HA3 GLY 110 2HA GLY 110 -19.004 24.774 7.642 Start of MODEL 9 1 H1 GLY 1 H GLY 1 27.743 -18.211 3.419 2 HA2 GLY 1 1HA GLY 1 26.839 -15.568 2.701 3 HA3 GLY 1 2HA GLY 1 28.313 -16.353 2.155 4 H SER 2 H SER 2 27.066 -14.928 0.311 5 HA SER 2 HA SER 2 25.566 -16.887 -1.302 6 HB2 SER 2 1HB SER 2 25.415 -13.870 -1.243 7 HB3 SER 2 2HB SER 2 24.698 -14.840 -2.529 8 HG SER 2 HG SER 2 23.615 -15.982 -0.705 9 H SER 3 H SER 3 26.138 -17.208 -3.433 10 HA SER 3 HA SER 3 28.734 -16.061 -4.223 11 HB2 SER 3 1HB SER 3 29.096 -18.096 -5.541 12 HB3 SER 3 2HB SER 3 28.786 -18.500 -3.853 13 HG SER 3 HG SER 3 26.718 -19.114 -4.394 14 H GLY 4 H GLY 4 26.054 -14.919 -4.682 15 HA2 GLY 4 1HA GLY 4 26.338 -14.548 -7.565 16 HA3 GLY 4 2HA GLY 4 24.789 -15.150 -6.994 17 H SER 5 H SER 5 23.414 -13.503 -7.251 18 HA SER 5 HA SER 5 24.168 -10.771 -6.918 19 HB2 SER 5 1HB SER 5 22.374 -11.505 -8.470 20 HB3 SER 5 2HB SER 5 21.389 -11.965 -7.081 21 HG SER 5 HG SER 5 22.372 -9.352 -7.601 22 H SER 6 H SER 6 23.107 -9.280 -5.405 23 HA SER 6 HA SER 6 22.220 -10.481 -2.893 24 HB2 SER 6 1HB SER 6 24.798 -9.951 -2.999 25 HB3 SER 6 2HB SER 6 24.258 -8.293 -2.734 26 HG SER 6 HG SER 6 23.279 -10.353 -1.096 27 H GLY 7 H GLY 7 20.426 -9.494 -2.260 28 HA2 GLY 7 1HA GLY 7 19.838 -7.017 -1.597 29 HA3 GLY 7 2HA GLY 7 19.804 -6.848 -3.346 30 HA PRO 8 HA PRO 8 16.187 -9.835 -2.092 31 HB2 PRO 8 1HB PRO 8 15.508 -9.804 0.537 32 HB3 PRO 8 2HB PRO 8 16.680 -10.942 -0.140 33 HG2 PRO 8 1HG PRO 8 17.160 -8.385 1.342 34 HG3 PRO 8 2HG PRO 8 17.985 -9.946 1.507 35 HD2 PRO 8 1HD PRO 8 19.040 -7.881 0.109 36 HD3 PRO 8 2HD PRO 8 19.320 -9.577 -0.335 37 H VAL 9 H VAL 9 14.011 -9.261 -2.059 38 HA VAL 9 HA VAL 9 13.245 -6.708 -2.550 39 HB VAL 9 HB VAL 9 10.936 -7.369 -1.736 40 HG11 VAL 9 1HG1 VAL 9 11.692 -7.686 -4.047 41 HG12 VAL 9 2HG1 VAL 9 12.331 -9.273 -3.615 42 HG13 VAL 9 3HG1 VAL 9 10.595 -8.968 -3.536 43 HG21 VAL 9 1HG2 VAL 9 10.960 -8.957 -0.148 44 HG22 VAL 9 2HG2 VAL 9 11.076 -10.076 -1.506 45 HG23 VAL 9 3HG2 VAL 9 12.534 -9.575 -0.648 46 HA PRO 10 HA PRO 10 13.314 -4.355 1.157 47 HB2 PRO 10 1HB PRO 10 11.227 -2.669 0.739 48 HB3 PRO 10 2HB PRO 10 12.759 -2.536 -0.133 49 HG2 PRO 10 1HG PRO 10 10.181 -3.780 -1.010 50 HG3 PRO 10 2HG PRO 10 11.289 -2.739 -1.923 51 HD2 PRO 10 1HD PRO 10 11.246 -5.431 -2.214 52 HD3 PRO 10 2HD PRO 10 12.731 -4.474 -2.395 53 H ALA 11 H ALA 11 12.713 -4.982 3.125 54 HA ALA 11 HA ALA 11 10.789 -6.725 3.862 55 HB1 ALA 11 1HB ALA 11 12.584 -5.268 5.230 56 HB2 ALA 11 2HB ALA 11 11.095 -4.480 5.751 57 HB3 ALA 11 3HB ALA 11 11.308 -6.213 5.999 58 H THR 12 H THR 12 8.643 -6.804 3.845 59 HA THR 12 HA THR 12 6.962 -4.974 2.724 60 HB THR 12 HB THR 12 6.323 -6.934 4.934 61 HG1 THR 12 1HG THR 12 5.645 -7.183 2.202 62 HG21 THR 12 1HG2 THR 12 4.668 -5.022 4.655 63 HG22 THR 12 2HG2 THR 12 4.020 -6.653 4.477 64 HG23 THR 12 3HG2 THR 12 4.345 -5.671 3.048 65 HA PRO 13 HA PRO 13 6.755 -1.581 5.546 66 HB2 PRO 13 1HB PRO 13 4.528 -0.399 4.540 67 HB3 PRO 13 2HB PRO 13 6.101 -0.326 3.736 68 HG2 PRO 13 1HG PRO 13 3.767 -2.114 3.173 69 HG3 PRO 13 2HG PRO 13 4.818 -1.254 2.033 70 HD2 PRO 13 1HD PRO 13 5.113 -3.889 2.583 71 HD3 PRO 13 2HD PRO 13 6.486 -2.837 2.181 72 H ILE 14 H ILE 14 5.738 -1.071 7.436 73 HA ILE 14 HA ILE 14 3.749 -2.936 8.400 74 HB ILE 14 HB ILE 14 5.097 -0.610 9.775 75 HG12 ILE 14 1HG1 ILE 14 5.551 -3.470 10.493 76 HG13 ILE 14 2HG1 ILE 14 6.322 -2.850 9.037 77 HG21 ILE 14 1HG2 ILE 14 4.118 -1.309 11.805 78 HG22 ILE 14 2HG2 ILE 14 2.804 -1.252 10.631 79 HG23 ILE 14 3HG2 ILE 14 3.512 -2.802 11.086 80 HD11 ILE 14 1HD1 ILE 14 7.661 -2.783 11.188 81 HD12 ILE 14 2HD1 ILE 14 7.588 -1.295 10.243 82 HD13 ILE 14 3HD1 ILE 14 6.590 -1.474 11.685 83 H LEU 15 H LEU 15 1.626 -2.603 8.460 84 HA LEU 15 HA LEU 15 0.503 -0.181 7.425 85 HB2 LEU 15 1HB LEU 15 -0.384 -2.562 7.158 86 HB3 LEU 15 2HB LEU 15 -1.017 -2.381 8.793 87 HG LEU 15 HG LEU 15 -2.745 -1.987 7.123 88 HD11 LEU 15 1HD1 LEU 15 -2.229 0.741 8.166 89 HD12 LEU 15 2HD1 LEU 15 -2.371 -0.573 9.333 90 HD13 LEU 15 3HD1 LEU 15 -3.696 -0.237 8.219 91 HD21 LEU 15 1HD2 LEU 15 -1.660 0.566 6.192 92 HD22 LEU 15 2HD2 LEU 15 -2.502 -0.703 5.303 93 HD23 LEU 15 3HD2 LEU 15 -0.773 -0.848 5.622 94 H GLN 16 H GLN 16 0.538 1.595 8.652 95 HA GLN 16 HA GLN 16 -0.593 1.410 11.355 96 HB2 GLN 16 1HB GLN 16 2.035 2.541 10.534 97 HB3 GLN 16 2HB GLN 16 1.131 3.399 11.776 98 HG2 GLN 16 1HG GLN 16 1.670 0.460 11.978 99 HG3 GLN 16 2HG GLN 16 2.845 1.659 12.517 100 HE21 GLN 16 1HE2 GLN 16 1.346 -0.344 14.036 101 HE22 GLN 16 2HE2 GLN 16 0.483 0.531 15.250 102 H LEU 17 H LEU 17 -2.513 2.373 10.993 103 HA LEU 17 HA LEU 17 -2.700 4.746 9.338 104 HB2 LEU 17 1HB LEU 17 -4.418 2.946 9.312 105 HB3 LEU 17 2HB LEU 17 -4.840 3.384 10.965 106 HG LEU 17 HG LEU 17 -4.980 5.460 8.824 107 HD11 LEU 17 1HD1 LEU 17 -7.332 3.704 9.385 108 HD12 LEU 17 2HD1 LEU 17 -6.158 3.251 8.150 109 HD13 LEU 17 3HD1 LEU 17 -7.033 4.776 8.017 110 HD21 LEU 17 1HD2 LEU 17 -5.734 6.603 10.572 111 HD22 LEU 17 2HD2 LEU 17 -5.764 5.155 11.578 112 HD23 LEU 17 3HD2 LEU 17 -7.155 5.559 10.572 113 H GLU 18 H GLU 18 -3.605 6.746 10.082 114 HA GLU 18 HA GLU 18 -3.310 7.203 12.975 115 HB2 GLU 18 1HB GLU 18 -1.390 8.051 11.455 116 HB3 GLU 18 2HB GLU 18 -2.538 9.283 10.950 117 HG2 GLU 18 1HG GLU 18 -1.357 10.317 12.645 118 HG3 GLU 18 2HG GLU 18 -2.818 9.759 13.456 119 H GLU 19 H GLU 19 -4.370 8.957 10.051 120 HA GLU 19 HA GLU 19 -6.213 10.627 11.224 121 HB2 GLU 19 1HB GLU 19 -5.418 10.476 8.765 122 HB3 GLU 19 2HB GLU 19 -6.761 9.361 8.554 123 HG2 GLU 19 1HG GLU 19 -7.728 11.336 7.936 124 HG3 GLU 19 2HG GLU 19 -8.152 11.277 9.645 125 H CYS 20 H CYS 20 -8.100 10.366 12.218 126 HA CYS 20 HA CYS 20 -9.277 7.713 12.340 127 HB2 CYS 20 1HB CYS 20 -8.907 9.403 14.309 128 HB3 CYS 20 2HB CYS 20 -10.417 10.104 13.741 129 HG CYS 20 HG CYS 20 -11.115 7.006 13.886 130 H CYS 21 H CYS 21 -11.507 7.300 11.939 131 HA CYS 21 HA CYS 21 -12.485 8.669 9.607 132 HB2 CYS 21 1HB CYS 21 -14.259 6.989 9.613 133 HB3 CYS 21 2HB CYS 21 -12.689 6.226 9.838 134 HG CYS 21 HG CYS 21 -14.738 6.937 12.476 135 H THR 22 H THR 22 -12.388 10.510 11.599 136 HA THR 22 HA THR 22 -14.913 10.753 12.951 137 HB THR 22 HB THR 22 -12.744 12.829 12.585 138 HG1 THR 22 1HG THR 22 -12.169 12.135 14.736 139 HG21 THR 22 1HG2 THR 22 -13.773 13.813 14.640 140 HG22 THR 22 2HG2 THR 22 -15.104 12.669 14.460 141 HG23 THR 22 3HG2 THR 22 -14.809 13.882 13.214 142 H HIS 23 H HIS 23 -16.388 10.660 11.181 143 HA HIS 23 HA HIS 23 -17.702 11.498 9.516 144 HB2 HIS 23 1HB HIS 23 -17.894 13.181 11.518 145 HB3 HIS 23 2HB HIS 23 -17.021 14.266 10.441 146 HD1 HIS 23 1HD HIS 23 -18.477 15.657 9.016 147 HD2 HIS 23 2HD HIS 23 -20.341 12.114 10.127 148 HE1 HIS 23 1HE HIS 23 -20.798 15.789 8.057 149 HE2 HIS 23 2HE HIS 23 -21.934 13.673 8.814 150 H ASN 24 H ASN 24 -14.936 11.074 8.838 151 HA ASN 24 HA ASN 24 -14.610 13.123 6.744 152 HB2 ASN 24 1HB ASN 24 -12.538 11.646 8.361 153 HB3 ASN 24 2HB ASN 24 -12.142 12.419 6.829 154 HD21 ASN 24 1HD2 ASN 24 -10.702 13.414 8.643 155 HD22 ASN 24 2HD2 ASN 24 -11.283 14.911 9.279 156 H ASN 25 H ASN 25 -14.845 12.401 4.740 157 HA ASN 25 HA ASN 25 -14.995 9.550 4.239 158 HB2 ASN 25 1HB ASN 25 -15.683 12.020 2.692 159 HB3 ASN 25 2HB ASN 25 -15.470 10.499 1.831 160 HD21 ASN 25 1HD2 ASN 25 -17.639 10.470 1.234 161 HD22 ASN 25 2HD2 ASN 25 -18.891 10.080 2.359 162 H SER 26 H SER 26 -12.426 10.343 4.956 163 HA SER 26 HA SER 26 -10.966 9.557 2.566 164 HB2 SER 26 1HB SER 26 -10.268 12.060 4.122 165 HB3 SER 26 2HB SER 26 -9.286 11.349 2.841 166 HG SER 26 HG SER 26 -11.716 12.721 2.677 167 H ALA 27 H ALA 27 -9.269 8.256 3.007 168 HA ALA 27 HA ALA 27 -8.574 7.879 5.847 169 HB1 ALA 27 1HB ALA 27 -9.107 5.947 3.667 170 HB2 ALA 27 2HB ALA 27 -7.828 5.539 4.811 171 HB3 ALA 27 3HB ALA 27 -9.465 5.843 5.391 172 H THR 28 H THR 28 -6.572 8.428 6.373 173 HA THR 28 HA THR 28 -4.520 8.469 4.259 174 HB THR 28 HB THR 28 -4.712 10.155 6.762 175 HG1 THR 28 1HG THR 28 -5.492 11.637 5.456 176 HG21 THR 28 1HG2 THR 28 -2.675 11.236 6.050 177 HG22 THR 28 2HG2 THR 28 -2.600 10.228 4.605 178 HG23 THR 28 3HG2 THR 28 -2.379 9.504 6.198 179 H LEU 29 H LEU 29 -2.968 7.002 4.435 180 HA LEU 29 HA LEU 29 -2.378 5.890 7.099 181 HB2 LEU 29 1HB LEU 29 -1.405 4.003 5.475 182 HB3 LEU 29 2HB LEU 29 -3.060 4.002 6.080 183 HG LEU 29 HG LEU 29 -2.443 5.301 3.459 184 HD11 LEU 29 1HD1 LEU 29 -1.894 3.410 2.445 185 HD12 LEU 29 2HD1 LEU 29 -3.344 2.622 3.067 186 HD13 LEU 29 3HD1 LEU 29 -1.855 2.600 4.012 187 HD21 LEU 29 1HD2 LEU 29 -4.835 3.893 4.636 188 HD22 LEU 29 2HD2 LEU 29 -4.749 4.509 2.985 189 HD23 LEU 29 3HD2 LEU 29 -4.651 5.623 4.349 190 H SER 30 H SER 30 -0.341 5.987 7.835 191 HA SER 30 HA SER 30 1.735 6.950 5.975 192 HB2 SER 30 1HB SER 30 1.306 8.711 7.521 193 HB3 SER 30 2HB SER 30 1.274 7.598 8.889 194 HG SER 30 HG SER 30 3.609 7.660 7.386 195 H TRP 31 H TRP 31 1.473 4.317 5.982 196 HA TRP 31 HA TRP 31 2.512 2.662 7.840 197 HB2 TRP 31 1HB TRP 31 3.484 1.320 5.950 198 HB3 TRP 31 2HB TRP 31 1.799 1.784 5.727 199 HD1 TRP 31 HD TRP 31 5.229 2.183 4.198 200 HE1 TRP 31 1HE TRP 31 5.031 3.490 1.990 201 HE3 TRP 31 3HE TRP 31 0.360 3.695 4.582 202 HZ2 TRP 31 2HZ TRP 31 3.071 4.967 0.596 203 HZ3 TRP 31 3HZ TRP 31 -0.600 5.052 2.768 204 HH2 TRP 31 HH TRP 31 0.730 5.675 0.818 205 H LYS 32 H LYS 32 4.658 1.710 8.145 206 HA LYS 32 HA LYS 32 6.899 3.474 7.492 207 HB2 LYS 32 1HB LYS 32 7.663 3.663 9.722 208 HB3 LYS 32 2HB LYS 32 5.947 4.045 9.777 209 HG2 LYS 32 1HG LYS 32 5.439 1.854 10.636 210 HG3 LYS 32 2HG LYS 32 7.124 1.360 10.463 211 HD2 LYS 32 1HD LYS 32 7.694 3.267 12.038 212 HD3 LYS 32 2HD LYS 32 5.963 3.387 12.361 213 HE2 LYS 32 1HE LYS 32 6.010 0.958 12.985 214 HE3 LYS 32 2HE LYS 32 7.767 1.027 12.864 215 HZ1 LYS 32 1HZ LYS 32 6.034 1.990 14.948 216 HZ2 LYS 32 2HZ LYS 32 7.192 3.124 14.466 217 HZ3 LYS 32 3HZ LYS 32 7.678 1.596 15.005 218 H GLN 33 H GLN 33 8.957 2.462 7.592 219 HA GLN 33 HA GLN 33 8.836 -0.377 7.050 220 HB2 GLN 33 1HB GLN 33 10.976 1.720 6.839 221 HB3 GLN 33 2HB GLN 33 11.378 0.013 6.712 222 HG2 GLN 33 1HG GLN 33 9.516 -0.040 4.916 223 HG3 GLN 33 2HG GLN 33 9.743 1.708 4.880 224 HE21 GLN 33 1HE2 GLN 33 11.051 -1.363 4.052 225 HE22 GLN 33 2HE2 GLN 33 12.417 -0.787 3.165 226 HA PRO 34 HA PRO 34 10.063 -1.790 11.028 227 HB2 PRO 34 1HB PRO 34 11.260 -4.126 10.333 228 HB3 PRO 34 2HB PRO 34 9.508 -3.895 10.293 229 HG2 PRO 34 1HG PRO 34 11.486 -3.775 8.049 230 HG3 PRO 34 2HG PRO 34 9.884 -4.533 8.088 231 HD2 PRO 34 1HD PRO 34 10.325 -2.115 6.951 232 HD3 PRO 34 2HD PRO 34 8.791 -2.533 7.742 233 HA PRO 35 HA PRO 35 14.237 -0.354 11.479 234 HB2 PRO 35 1HB PRO 35 14.532 -0.990 14.102 235 HB3 PRO 35 2HB PRO 35 13.584 0.396 13.550 236 HG2 PRO 35 1HG PRO 35 12.654 -2.323 14.387 237 HG3 PRO 35 2HG PRO 35 11.969 -0.736 14.781 238 HD2 PRO 35 1HD PRO 35 10.927 -2.336 12.861 239 HD3 PRO 35 2HD PRO 35 10.877 -0.564 12.759 240 H LEU 36 H LEU 36 13.174 -3.600 12.040 241 HA LEU 36 HA LEU 36 15.857 -4.629 12.446 242 HB2 LEU 36 1HB LEU 36 13.205 -6.031 12.150 243 HB3 LEU 36 2HB LEU 36 14.734 -6.831 12.512 244 HG LEU 36 HG LEU 36 13.286 -4.857 14.277 245 HD11 LEU 36 1HD1 LEU 36 12.124 -6.677 14.844 246 HD12 LEU 36 2HD1 LEU 36 13.599 -7.202 15.655 247 HD13 LEU 36 3HD1 LEU 36 13.244 -7.762 14.021 248 HD21 LEU 36 1HD2 LEU 36 15.891 -6.325 14.663 249 HD22 LEU 36 2HD2 LEU 36 15.025 -5.466 15.937 250 HD23 LEU 36 3HD2 LEU 36 15.660 -4.580 14.549 251 H SER 37 H SER 37 14.914 -3.294 9.896 252 HA SER 37 HA SER 37 15.618 -5.486 8.054 253 HB2 SER 37 1HB SER 37 13.694 -3.200 7.753 254 HB3 SER 37 2HB SER 37 14.443 -3.919 6.327 255 HG SER 37 HG SER 37 13.308 -5.640 8.205 256 H THR 38 H THR 38 17.250 -5.168 6.622 257 HA THR 38 HA THR 38 18.676 -2.595 6.803 258 HB THR 38 HB THR 38 20.743 -3.762 6.353 259 HG1 THR 38 1HG THR 38 18.998 -5.874 5.783 260 HG21 THR 38 1HG2 THR 38 20.320 -3.716 8.659 261 HG22 THR 38 2HG2 THR 38 20.725 -5.400 8.330 262 HG23 THR 38 3HG2 THR 38 19.041 -4.923 8.539 263 H VAL 39 H VAL 39 16.551 -3.833 4.882 264 HA VAL 39 HA VAL 39 18.022 -3.431 2.369 265 HB VAL 39 HB VAL 39 15.220 -4.509 2.613 266 HG11 VAL 39 1HG1 VAL 39 16.374 -3.636 0.421 267 HG12 VAL 39 2HG1 VAL 39 17.160 -5.215 0.464 268 HG13 VAL 39 3HG1 VAL 39 15.400 -5.105 0.405 269 HG21 VAL 39 1HG2 VAL 39 17.209 -6.530 2.094 270 HG22 VAL 39 2HG2 VAL 39 17.504 -5.740 3.643 271 HG23 VAL 39 3HG2 VAL 39 15.942 -6.492 3.320 272 HA PRO 40 HA PRO 40 16.067 0.586 2.269 273 HB2 PRO 40 1HB PRO 40 17.227 1.378 -0.054 274 HB3 PRO 40 2HB PRO 40 18.078 1.382 1.495 275 HG2 PRO 40 1HG PRO 40 18.176 -0.636 -0.714 276 HG3 PRO 40 2HG PRO 40 19.505 0.030 0.252 277 HD2 PRO 40 1HD PRO 40 18.422 -2.402 0.746 278 HD3 PRO 40 2HD PRO 40 19.080 -1.372 2.032 279 H ALA 41 H ALA 41 14.327 1.461 1.207 280 HA ALA 41 HA ALA 41 13.134 -0.209 -0.900 281 HB1 ALA 41 1HB ALA 41 11.626 1.851 0.667 282 HB2 ALA 41 2HB ALA 41 11.021 0.414 -0.158 283 HB3 ALA 41 3HB ALA 41 11.940 0.251 1.338 284 H ASP 42 H ASP 42 12.296 0.720 -2.769 285 HA ASP 42 HA ASP 42 13.394 3.368 -3.398 286 HB2 ASP 42 1HB ASP 42 13.966 1.340 -4.818 287 HB3 ASP 42 2HB ASP 42 12.289 1.356 -5.357 288 H GLY 43 H GLY 43 10.416 1.549 -3.211 289 HA2 GLY 43 1HA GLY 43 8.855 3.937 -3.108 290 HA3 GLY 43 2HA GLY 43 8.665 3.117 -4.651 291 H TYR 44 H TYR 44 6.434 3.389 -3.265 292 HA TYR 44 HA TYR 44 5.877 0.658 -2.370 293 HB2 TYR 44 1HB TYR 44 4.779 3.025 -0.862 294 HB3 TYR 44 2HB TYR 44 4.750 1.329 -0.395 295 HD1 TYR 44 2HD TYR 44 7.306 3.912 -1.295 296 HD2 TYR 44 1HD TYR 44 6.192 0.723 1.291 297 HE1 TYR 44 2HE TYR 44 9.380 4.236 -0.013 298 HE2 TYR 44 1HE TYR 44 8.262 1.038 2.582 299 HH TYR 44 HH TYR 44 9.886 3.058 2.990 300 H ILE 45 H ILE 45 3.637 0.065 -2.502 301 HA ILE 45 HA ILE 45 1.977 1.873 -4.119 302 HB ILE 45 HB ILE 45 2.392 -1.071 -4.652 303 HG12 ILE 45 1HG1 ILE 45 2.977 1.319 -6.410 304 HG13 ILE 45 2HG1 ILE 45 4.190 0.480 -5.449 305 HG21 ILE 45 1HG2 ILE 45 0.268 0.807 -5.424 306 HG22 ILE 45 2HG2 ILE 45 0.941 -0.148 -6.744 307 HG23 ILE 45 3HG2 ILE 45 0.252 -0.954 -5.335 308 HD11 ILE 45 1HD1 ILE 45 3.529 -0.068 -8.049 309 HD12 ILE 45 2HD1 ILE 45 4.399 -1.143 -6.954 310 HD13 ILE 45 3HD1 ILE 45 2.654 -1.308 -7.150 311 H LEU 46 H LEU 46 -0.161 1.899 -3.624 312 HA LEU 46 HA LEU 46 -0.996 0.222 -1.361 313 HB2 LEU 46 1HB LEU 46 -1.625 2.976 -2.242 314 HB3 LEU 46 2HB LEU 46 -2.933 2.063 -1.492 315 HG LEU 46 HG LEU 46 -0.253 2.478 -0.181 316 HD11 LEU 46 1HD1 LEU 46 -1.029 4.368 0.906 317 HD12 LEU 46 2HD1 LEU 46 -2.716 4.021 0.527 318 HD13 LEU 46 3HD1 LEU 46 -1.629 4.596 -0.737 319 HD21 LEU 46 1HD2 LEU 46 -1.954 0.608 0.458 320 HD22 LEU 46 2HD2 LEU 46 -2.844 1.937 1.203 321 HD23 LEU 46 3HD2 LEU 46 -1.195 1.580 1.720 322 H GLU 47 H GLU 47 -3.099 -0.711 -1.350 323 HA GLU 47 HA GLU 47 -4.452 -0.862 -3.947 324 HB2 GLU 47 1HB GLU 47 -3.206 -3.097 -2.433 325 HB3 GLU 47 2HB GLU 47 -4.762 -3.409 -3.190 326 HG2 GLU 47 1HG GLU 47 -3.558 -2.313 -5.273 327 HG3 GLU 47 2HG GLU 47 -2.121 -2.878 -4.424 328 H LEU 48 H LEU 48 -6.663 -1.281 -3.851 329 HA LEU 48 HA LEU 48 -7.977 -1.878 -1.373 330 HB2 LEU 48 1HB LEU 48 -7.592 0.421 -0.909 331 HB3 LEU 48 2HB LEU 48 -8.099 0.897 -2.529 332 HG LEU 48 HG LEU 48 -10.411 0.021 -1.865 333 HD11 LEU 48 1HD1 LEU 48 -10.396 0.542 0.829 334 HD12 LEU 48 2HD1 LEU 48 -8.920 -0.395 0.602 335 HD13 LEU 48 3HD1 LEU 48 -10.471 -1.056 0.087 336 HD21 LEU 48 1HD2 LEU 48 -10.923 2.173 -1.622 337 HD22 LEU 48 2HD2 LEU 48 -9.190 2.502 -1.649 338 HD23 LEU 48 3HD2 LEU 48 -10.024 2.290 -0.109 339 H ASP 49 H ASP 49 -10.134 -2.447 -1.646 340 HA ASP 49 HA ASP 49 -10.879 -3.078 -4.368 341 HB2 ASP 49 1HB ASP 49 -12.742 -3.589 -2.102 342 HB3 ASP 49 2HB ASP 49 -12.337 -4.611 -3.479 343 H ASP 50 H ASP 50 -13.289 -2.781 -4.927 344 HA ASP 50 HA ASP 50 -13.850 0.060 -4.712 345 HB2 ASP 50 1HB ASP 50 -13.982 -1.279 -6.877 346 HB3 ASP 50 2HB ASP 50 -15.460 -1.990 -6.233 347 H GLY 51 H GLY 51 -14.154 -1.289 -2.282 348 HA2 GLY 51 1HA GLY 51 -15.631 -1.444 -0.532 349 HA3 GLY 51 2HA GLY 51 -16.702 -0.419 -1.477 350 H ASN 52 H ASN 52 -15.671 -3.424 -2.835 351 HA ASN 52 HA ASN 52 -18.382 -4.490 -2.420 352 HB2 ASN 52 1HB ASN 52 -16.424 -4.719 -4.677 353 HB3 ASN 52 2HB ASN 52 -17.620 -5.989 -4.434 354 HD21 ASN 52 1HD2 ASN 52 -19.815 -5.503 -4.672 355 HD22 ASN 52 2HD2 ASN 52 -20.343 -4.102 -5.535 356 H GLY 53 H GLY 53 -14.959 -5.196 -2.181 357 HA2 GLY 53 1HA GLY 53 -14.061 -6.672 -0.562 358 HA3 GLY 53 2HA GLY 53 -15.610 -7.499 -0.493 359 H GLY 54 H GLY 54 -13.621 -6.693 -3.321 360 HA2 GLY 54 1HA GLY 54 -13.190 -9.579 -3.741 361 HA3 GLY 54 2HA GLY 54 -13.835 -8.583 -5.037 362 H GLN 55 H GLN 55 -12.357 -8.115 -6.508 363 HA GLN 55 HA GLN 55 -9.590 -8.448 -6.129 364 HB2 GLN 55 1HB GLN 55 -11.049 -6.880 -8.262 365 HB3 GLN 55 2HB GLN 55 -9.358 -7.358 -8.332 366 HG2 GLN 55 1HG GLN 55 -10.411 -9.759 -7.960 367 HG3 GLN 55 2HG GLN 55 -11.809 -8.979 -8.698 368 HE21 GLN 55 1HE2 GLN 55 -11.689 -10.217 -10.554 369 HE22 GLN 55 2HE2 GLN 55 -10.447 -10.001 -11.736 370 H PHE 56 H PHE 56 -7.903 -6.870 -6.162 371 HA PHE 56 HA PHE 56 -8.709 -4.320 -4.931 372 HB2 PHE 56 1HB PHE 56 -6.242 -6.015 -4.564 373 HB3 PHE 56 2HB PHE 56 -6.314 -4.336 -4.039 374 HD1 PHE 56 1HD PHE 56 -8.628 -7.259 -3.826 375 HD2 PHE 56 2HD PHE 56 -6.575 -4.145 -1.775 376 HE1 PHE 56 1HE PHE 56 -9.668 -7.970 -1.712 377 HE2 PHE 56 2HE PHE 56 -7.611 -4.851 0.341 378 HZ PHE 56 HZ PHE 56 -9.159 -6.767 0.375 379 H ARG 57 H ARG 57 -8.113 -2.448 -5.856 380 HA ARG 57 HA ARG 57 -6.410 -2.612 -8.253 381 HB2 ARG 57 1HB ARG 57 -7.574 -0.456 -8.901 382 HB3 ARG 57 2HB ARG 57 -8.573 -1.903 -8.911 383 HG2 ARG 57 1HG ARG 57 -9.609 -1.291 -6.852 384 HG3 ARG 57 2HG ARG 57 -8.479 0.044 -6.621 385 HD2 ARG 57 1HD ARG 57 -9.387 1.210 -8.517 386 HD3 ARG 57 2HD ARG 57 -10.408 -0.168 -8.927 387 HE ARG 57 HE ARG 57 -11.890 0.469 -7.286 388 HH11 ARG 57 2HH1 ARG 57 -8.935 2.284 -6.979 389 HH12 ARG 57 1HH1 ARG 57 -9.584 3.394 -5.818 390 HH21 ARG 57 2HH2 ARG 57 -12.756 1.924 -5.758 391 HH22 ARG 57 1HH2 ARG 57 -11.758 3.188 -5.124 392 H GLU 58 H GLU 58 -4.999 -0.808 -8.696 393 HA GLU 58 HA GLU 58 -3.595 0.056 -6.365 394 HB2 GLU 58 1HB GLU 58 -3.277 0.660 -9.301 395 HB3 GLU 58 2HB GLU 58 -2.242 1.378 -8.074 396 HG2 GLU 58 1HG GLU 58 -1.007 -0.433 -8.778 397 HG3 GLU 58 2HG GLU 58 -1.812 -1.057 -7.339 398 H VAL 59 H VAL 59 -3.664 1.950 -5.305 399 HA VAL 59 HA VAL 59 -5.450 4.040 -6.373 400 HB VAL 59 HB VAL 59 -5.808 4.712 -3.985 401 HG11 VAL 59 1HG1 VAL 59 -6.800 1.969 -3.967 402 HG12 VAL 59 2HG1 VAL 59 -7.685 3.496 -3.989 403 HG13 VAL 59 3HG1 VAL 59 -7.078 2.805 -5.495 404 HG21 VAL 59 1HG2 VAL 59 -4.268 2.174 -3.519 405 HG22 VAL 59 2HG2 VAL 59 -3.970 3.778 -2.848 406 HG23 VAL 59 3HG2 VAL 59 -5.366 2.844 -2.312 407 H TYR 60 H TYR 60 -2.398 3.313 -4.839 408 HA TYR 60 HA TYR 60 -1.445 5.982 -5.540 409 HB2 TYR 60 1HB TYR 60 -1.763 6.558 -3.350 410 HB3 TYR 60 2HB TYR 60 -1.664 4.894 -2.785 411 HD1 TYR 60 2HD TYR 60 0.322 7.830 -3.818 412 HD2 TYR 60 1HD TYR 60 0.398 3.970 -2.030 413 HE1 TYR 60 2HE TYR 60 2.629 8.229 -3.068 414 HE2 TYR 60 1HE TYR 60 2.706 4.359 -1.273 415 HH TYR 60 HH TYR 60 4.279 5.999 -0.930 416 H VAL 61 H VAL 61 0.747 6.093 -5.989 417 HA VAL 61 HA VAL 61 2.493 3.857 -5.498 418 HB VAL 61 HB VAL 61 1.799 4.520 -8.362 419 HG11 VAL 61 1HG1 VAL 61 3.827 3.693 -8.775 420 HG12 VAL 61 2HG1 VAL 61 4.026 3.144 -7.110 421 HG13 VAL 61 3HG1 VAL 61 3.183 2.128 -8.280 422 HG21 VAL 61 1HG2 VAL 61 1.129 2.094 -6.701 423 HG22 VAL 61 2HG2 VAL 61 -0.009 3.281 -7.338 424 HG23 VAL 61 3HG2 VAL 61 0.879 2.230 -8.441 425 H GLY 62 H GLY 62 4.497 4.601 -5.220 426 HA2 GLY 62 1HA GLY 62 5.911 6.351 -6.805 427 HA3 GLY 62 2HA GLY 62 5.083 7.368 -5.636 428 H LYS 63 H LYS 63 6.736 8.046 -4.386 429 HA LYS 63 HA LYS 63 8.255 5.961 -2.966 430 HB2 LYS 63 1HB LYS 63 10.135 7.691 -2.879 431 HB3 LYS 63 2HB LYS 63 9.861 6.884 -4.417 432 HG2 LYS 63 1HG LYS 63 10.069 9.033 -5.132 433 HG3 LYS 63 2HG LYS 63 8.326 8.977 -4.858 434 HD2 LYS 63 1HD LYS 63 8.823 10.905 -3.738 435 HD3 LYS 63 2HD LYS 63 9.050 9.743 -2.429 436 HE2 LYS 63 1HE LYS 63 11.495 9.658 -3.178 437 HE3 LYS 63 2HE LYS 63 11.132 11.112 -4.107 438 HZ1 LYS 63 1HZ LYS 63 11.289 12.336 -2.284 439 HZ2 LYS 63 2HZ LYS 63 11.830 10.972 -1.444 440 HZ3 LYS 63 3HZ LYS 63 10.185 11.364 -1.448 441 H GLU 64 H GLU 64 5.900 8.063 -2.572 442 HA GLU 64 HA GLU 64 6.710 9.674 -0.390 443 HB2 GLU 64 1HB GLU 64 4.004 8.759 -1.355 444 HB3 GLU 64 2HB GLU 64 4.201 9.816 0.035 445 HG2 GLU 64 1HG GLU 64 5.469 10.555 -2.557 446 HG3 GLU 64 2HG GLU 64 3.740 10.806 -2.328 447 H THR 65 H THR 65 5.594 9.475 1.802 448 HA THR 65 HA THR 65 5.917 6.704 2.741 449 HB THR 65 HB THR 65 6.533 9.346 3.977 450 HG1 THR 65 1HG THR 65 7.852 6.912 4.486 451 HG21 THR 65 1HG2 THR 65 4.974 8.486 5.589 452 HG22 THR 65 2HG2 THR 65 6.603 8.248 6.221 453 HG23 THR 65 3HG2 THR 65 5.719 6.889 5.528 454 H MET 66 H MET 66 3.655 9.212 2.310 455 HA MET 66 HA MET 66 1.582 7.603 3.537 456 HB2 MET 66 1HB MET 66 2.110 8.849 5.468 457 HB3 MET 66 2HB MET 66 2.341 10.332 4.552 458 HG2 MET 66 1HG MET 66 -0.074 10.375 4.070 459 HG3 MET 66 2HG MET 66 -0.275 8.938 5.070 460 HE1 MET 66 1HE MET 66 0.977 12.424 4.773 461 HE2 MET 66 2HE MET 66 -0.590 12.916 5.416 462 HE3 MET 66 3HE MET 66 0.870 13.146 6.379 463 H CYS 67 H CYS 67 -0.230 7.693 2.362 464 HA CYS 67 HA CYS 67 -0.591 9.977 0.537 465 HB2 CYS 67 1HB CYS 67 0.151 7.927 -0.661 466 HB3 CYS 67 2HB CYS 67 -1.276 7.092 -0.060 467 HG CYS 67 HG CYS 67 -2.764 7.738 -2.037 468 H THR 68 H THR 68 -2.647 10.768 0.288 469 HA THR 68 HA THR 68 -4.672 9.652 2.116 470 HB THR 68 HB THR 68 -4.484 12.497 1.108 471 HG1 THR 68 1HG THR 68 -3.874 11.476 3.699 472 HG21 THR 68 1HG2 THR 68 -6.524 10.995 2.524 473 HG22 THR 68 2HG2 THR 68 -6.607 12.601 1.800 474 HG23 THR 68 3HG2 THR 68 -5.988 12.403 3.439 475 H VAL 69 H VAL 69 -6.545 8.953 1.298 476 HA VAL 69 HA VAL 69 -7.032 9.369 -1.568 477 HB VAL 69 HB VAL 69 -6.892 7.031 -0.852 478 HG11 VAL 69 1HG1 VAL 69 -8.016 6.128 0.887 479 HG12 VAL 69 2HG1 VAL 69 -8.046 7.799 1.452 480 HG13 VAL 69 3HG1 VAL 69 -9.447 7.123 0.619 481 HG21 VAL 69 1HG2 VAL 69 -9.787 7.377 -1.421 482 HG22 VAL 69 2HG2 VAL 69 -8.632 8.032 -2.582 483 HG23 VAL 69 3HG2 VAL 69 -8.603 6.314 -2.183 484 H ASP 70 H ASP 70 -8.975 10.135 -2.335 485 HA ASP 70 HA ASP 70 -10.865 11.152 -0.316 486 HB2 ASP 70 1HB ASP 70 -9.782 13.087 -1.125 487 HB3 ASP 70 2HB ASP 70 -9.784 12.496 -2.784 488 H GLY 71 H GLY 71 -13.054 11.059 -0.804 489 HA2 GLY 71 1HA GLY 71 -14.956 10.520 -2.037 490 HA3 GLY 71 2HA GLY 71 -13.924 10.063 -3.383 491 H LEU 72 H LEU 72 -14.673 8.986 -0.068 492 HA LEU 72 HA LEU 72 -14.432 6.211 -1.014 493 HB2 LEU 72 1HB LEU 72 -14.222 7.400 1.744 494 HB3 LEU 72 2HB LEU 72 -14.274 5.666 1.432 495 HG LEU 72 HG LEU 72 -12.140 7.511 0.366 496 HD11 LEU 72 1HD1 LEU 72 -11.841 5.589 2.653 497 HD12 LEU 72 2HD1 LEU 72 -12.260 7.284 2.896 498 HD13 LEU 72 3HD1 LEU 72 -10.733 6.856 2.125 499 HD21 LEU 72 1HD2 LEU 72 -12.860 5.045 -0.525 500 HD22 LEU 72 2HD2 LEU 72 -11.643 4.638 0.685 501 HD23 LEU 72 3HD2 LEU 72 -11.236 5.723 -0.645 502 H HIS 73 H HIS 73 -16.197 4.994 -1.160 503 HA HIS 73 HA HIS 73 -18.778 5.982 -0.800 504 HB2 HIS 73 1HB HIS 73 -17.621 3.257 -1.203 505 HB3 HIS 73 2HB HIS 73 -19.320 3.395 -0.758 506 HD1 HIS 73 1HD HIS 73 -20.819 3.455 -2.711 507 HD2 HIS 73 2HD HIS 73 -17.093 5.070 -3.589 508 HE1 HIS 73 1HE HIS 73 -20.917 4.087 -5.143 509 HE2 HIS 73 2HE HIS 73 -18.624 4.984 -5.673 510 H PHE 74 H PHE 74 -20.408 5.486 0.729 511 HA PHE 74 HA PHE 74 -19.339 5.013 3.419 512 HB2 PHE 74 1HB PHE 74 -21.810 5.856 3.947 513 HB3 PHE 74 2HB PHE 74 -20.497 6.980 3.614 514 HD1 PHE 74 2HD PHE 74 -22.636 4.888 1.389 515 HD2 PHE 74 1HD PHE 74 -21.337 8.791 2.480 516 HE1 PHE 74 2HE PHE 74 -23.929 5.836 -0.478 517 HE2 PHE 74 1HE PHE 74 -22.629 9.746 0.616 518 HZ PHE 74 HZ PHE 74 -23.926 8.268 -0.866 519 H ASN 75 H ASN 75 -21.163 4.045 4.920 520 HA ASN 75 HA ASN 75 -21.934 1.960 5.537 521 HB2 ASN 75 1HB ASN 75 -24.063 1.416 4.186 522 HB3 ASN 75 2HB ASN 75 -24.012 2.943 5.062 523 HD21 ASN 75 1HD2 ASN 75 -24.603 4.669 3.975 524 HD22 ASN 75 2HD2 ASN 75 -24.603 4.840 2.256 525 H SER 76 H SER 76 -19.692 1.700 3.838 526 HA SER 76 HA SER 76 -20.258 -0.932 2.715 527 HB2 SER 76 1HB SER 76 -19.204 1.410 1.153 528 HB3 SER 76 2HB SER 76 -18.769 -0.238 0.701 529 HG SER 76 HG SER 76 -21.407 0.786 0.944 530 H THR 77 H THR 77 -18.707 -2.352 3.199 531 HA THR 77 HA THR 77 -16.476 -1.549 4.786 532 HB THR 77 HB THR 77 -16.714 -4.275 3.549 533 HG1 THR 77 1HG THR 77 -18.737 -4.088 4.343 534 HG21 THR 77 1HG2 THR 77 -15.809 -4.966 5.737 535 HG22 THR 77 2HG2 THR 77 -15.775 -3.277 6.241 536 HG23 THR 77 3HG2 THR 77 -14.751 -3.822 4.913 537 H TYR 78 H TYR 78 -14.396 -1.234 4.236 538 HA TYR 78 HA TYR 78 -13.619 -1.781 1.446 539 HB2 TYR 78 1HB TYR 78 -13.336 0.678 3.090 540 HB3 TYR 78 2HB TYR 78 -11.987 0.263 2.038 541 HD1 TYR 78 2HD TYR 78 -12.506 -0.128 -0.445 542 HD2 TYR 78 1HD TYR 78 -15.212 1.775 2.230 543 HE1 TYR 78 2HE TYR 78 -13.684 0.872 -2.358 544 HE2 TYR 78 1HE TYR 78 -16.399 2.779 0.324 545 HH TYR 78 HH TYR 78 -15.365 3.284 -2.428 546 H ASN 79 H ASN 79 -11.564 -2.562 1.077 547 HA ASN 79 HA ASN 79 -9.968 -3.211 3.466 548 HB2 ASN 79 1HB ASN 79 -10.236 -4.987 1.035 549 HB3 ASN 79 2HB ASN 79 -9.440 -5.372 2.558 550 HD21 ASN 79 1HD2 ASN 79 -10.610 -6.163 4.214 551 HD22 ASN 79 2HD2 ASN 79 -12.312 -6.456 4.151 552 H ALA 80 H ALA 80 -8.130 -2.111 3.387 553 HA ALA 80 HA ALA 80 -6.838 -1.713 0.767 554 HB1 ALA 80 1HB ALA 80 -6.431 0.024 3.190 555 HB2 ALA 80 2HB ALA 80 -5.956 0.350 1.523 556 HB3 ALA 80 3HB ALA 80 -7.662 0.346 1.968 557 H ARG 81 H ARG 81 -4.432 -1.489 0.895 558 HA ARG 81 HA ARG 81 -3.031 -2.597 3.117 559 HB2 ARG 81 1HB ARG 81 -2.207 -4.630 1.939 560 HB3 ARG 81 2HB ARG 81 -3.922 -4.689 2.325 561 HG2 ARG 81 1HG ARG 81 -4.291 -3.844 -0.066 562 HG3 ARG 81 2HG ARG 81 -2.610 -4.308 -0.339 563 HD2 ARG 81 1HD ARG 81 -3.277 -6.580 0.635 564 HD3 ARG 81 2HD ARG 81 -4.942 -6.047 0.404 565 HE ARG 81 HE ARG 81 -3.397 -5.744 -1.969 566 HH11 ARG 81 2HH1 ARG 81 -5.099 -8.075 -0.023 567 HH12 ARG 81 1HH1 ARG 81 -5.419 -9.143 -1.349 568 HH21 ARG 81 2HH2 ARG 81 -3.812 -7.141 -3.723 569 HH22 ARG 81 1HH2 ARG 81 -4.686 -8.611 -3.454 570 H VAL 82 H VAL 82 -0.821 -2.306 2.958 571 HA VAL 82 HA VAL 82 0.095 -0.927 0.518 572 HB VAL 82 HB VAL 82 -0.017 0.354 2.763 573 HG11 VAL 82 1HG1 VAL 82 1.279 -0.262 4.467 574 HG12 VAL 82 2HG1 VAL 82 1.540 -1.779 3.603 575 HG13 VAL 82 3HG1 VAL 82 2.688 -0.451 3.423 576 HG21 VAL 82 1HG2 VAL 82 1.235 0.916 0.576 577 HG22 VAL 82 2HG2 VAL 82 1.686 1.770 2.051 578 HG23 VAL 82 3HG2 VAL 82 2.682 0.438 1.464 579 H LYS 83 H LYS 83 2.248 -1.290 -0.182 580 HA LYS 83 HA LYS 83 3.722 -3.491 1.031 581 HB2 LYS 83 1HB LYS 83 3.925 -4.706 -1.088 582 HB3 LYS 83 2HB LYS 83 2.248 -4.606 -0.569 583 HG2 LYS 83 1HG LYS 83 1.649 -3.235 -2.289 584 HG3 LYS 83 2HG LYS 83 3.259 -2.525 -2.430 585 HD2 LYS 83 1HD LYS 83 4.071 -4.295 -3.685 586 HD3 LYS 83 2HD LYS 83 2.831 -5.408 -3.103 587 HE2 LYS 83 1HE LYS 83 1.144 -4.074 -4.365 588 HE3 LYS 83 2HE LYS 83 2.468 -3.127 -5.041 589 HZ1 LYS 83 1HZ LYS 83 1.474 -5.281 -6.219 590 HZ2 LYS 83 2HZ LYS 83 2.691 -6.014 -5.302 591 HZ3 LYS 83 3HZ LYS 83 3.083 -4.793 -6.405 592 H ALA 84 H ALA 84 5.864 -3.810 -0.108 593 HA ALA 84 HA ALA 84 6.885 -1.190 -0.991 594 HB1 ALA 84 1HB ALA 84 8.088 -3.330 0.714 595 HB2 ALA 84 2HB ALA 84 9.125 -2.222 -0.185 596 HB3 ALA 84 3HB ALA 84 7.983 -1.593 1.003 597 H PHE 85 H PHE 85 8.486 -1.140 -2.630 598 HA PHE 85 HA PHE 85 9.172 -3.547 -4.055 599 HB2 PHE 85 1HB PHE 85 8.013 -3.192 -6.046 600 HB3 PHE 85 2HB PHE 85 6.816 -2.765 -4.827 601 HD1 PHE 85 1HD PHE 85 9.120 -1.457 -7.366 602 HD2 PHE 85 2HD PHE 85 6.042 -0.517 -4.580 603 HE1 PHE 85 1HE PHE 85 8.855 0.755 -8.410 604 HE2 PHE 85 2HE PHE 85 5.772 1.696 -5.620 605 HZ PHE 85 HZ PHE 85 7.179 2.335 -7.538 606 H ASN 86 H ASN 86 10.981 -3.304 -5.306 607 HA ASN 86 HA ASN 86 11.948 -0.676 -6.024 608 HB2 ASN 86 1HB ASN 86 14.055 -0.845 -4.816 609 HB3 ASN 86 2HB ASN 86 12.710 -0.921 -3.681 610 HD21 ASN 86 1HD2 ASN 86 14.080 -1.914 -2.165 611 HD22 ASN 86 2HD2 ASN 86 14.499 -3.585 -2.295 612 H LYS 87 H LYS 87 14.422 -1.089 -6.816 613 HA LYS 87 HA LYS 87 14.415 -2.246 -9.221 614 HB2 LYS 87 1HB LYS 87 16.571 -1.964 -7.186 615 HB3 LYS 87 2HB LYS 87 16.911 -2.947 -8.604 616 HG2 LYS 87 1HG LYS 87 16.674 -1.142 -10.061 617 HG3 LYS 87 2HG LYS 87 15.811 -0.173 -8.865 618 HD2 LYS 87 1HD LYS 87 18.016 0.714 -9.042 619 HD3 LYS 87 2HD LYS 87 17.919 -0.146 -7.504 620 HE2 LYS 87 1HE LYS 87 18.845 -2.152 -8.877 621 HE3 LYS 87 2HE LYS 87 19.348 -0.908 -10.020 622 HZ1 LYS 87 1HZ LYS 87 20.428 -1.572 -7.430 623 HZ2 LYS 87 2HZ LYS 87 20.202 0.088 -7.669 624 HZ3 LYS 87 3HZ LYS 87 21.163 -0.798 -8.743 625 H THR 88 H THR 88 14.911 -3.994 -6.189 626 HA THR 88 HA THR 88 15.580 -6.495 -7.148 627 HB THR 88 HB THR 88 13.759 -5.952 -4.796 628 HG1 THR 88 1HG THR 88 15.570 -4.861 -4.299 629 HG21 THR 88 1HG2 THR 88 14.146 -8.352 -5.785 630 HG22 THR 88 2HG2 THR 88 14.208 -8.085 -4.042 631 HG23 THR 88 3HG2 THR 88 15.703 -8.212 -4.969 632 H GLY 89 H GLY 89 12.278 -5.719 -6.042 633 HA2 GLY 89 1HA GLY 89 11.012 -6.564 -8.435 634 HA3 GLY 89 2HA GLY 89 11.027 -7.878 -7.268 635 H VAL 90 H VAL 90 9.608 -7.863 -5.593 636 HA VAL 90 HA VAL 90 8.189 -5.472 -4.837 637 HB VAL 90 HB VAL 90 5.953 -6.855 -5.237 638 HG11 VAL 90 1HG1 VAL 90 6.558 -4.562 -6.041 639 HG12 VAL 90 2HG1 VAL 90 7.237 -5.315 -7.485 640 HG13 VAL 90 3HG1 VAL 90 5.516 -5.475 -7.132 641 HG21 VAL 90 1HG2 VAL 90 6.026 -7.956 -7.448 642 HG22 VAL 90 2HG2 VAL 90 7.779 -7.769 -7.459 643 HG23 VAL 90 3HG2 VAL 90 7.008 -8.785 -6.241 644 H SER 91 H SER 91 6.777 -5.809 -2.997 645 HA SER 91 HA SER 91 7.466 -8.251 -1.497 646 HB2 SER 91 1HB SER 91 7.156 -5.397 -0.584 647 HB3 SER 91 2HB SER 91 7.031 -6.742 0.548 648 HG SER 91 HG SER 91 9.213 -5.595 -0.158 649 HA PRO 92 HA PRO 92 3.207 -9.191 -1.020 650 HB2 PRO 92 1HB PRO 92 3.155 -10.247 1.480 651 HB3 PRO 92 2HB PRO 92 3.865 -11.088 0.097 652 HG2 PRO 92 1HG PRO 92 5.216 -9.508 2.252 653 HG3 PRO 92 2HG PRO 92 5.692 -11.059 1.536 654 HD2 PRO 92 1HD PRO 92 6.838 -8.713 0.821 655 HD3 PRO 92 2HD PRO 92 6.631 -10.060 -0.316 656 H TYR 93 H TYR 93 1.326 -8.285 -0.322 657 HA TYR 93 HA TYR 93 1.331 -5.749 0.836 658 HB2 TYR 93 1HB TYR 93 -0.908 -7.768 0.614 659 HB3 TYR 93 2HB TYR 93 -1.135 -6.089 1.087 660 HD1 TYR 93 1HD TYR 93 -0.068 -4.342 -0.623 661 HD2 TYR 93 2HD TYR 93 -1.241 -8.313 -1.601 662 HE1 TYR 93 1HE TYR 93 -0.258 -3.697 -2.989 663 HE2 TYR 93 2HE TYR 93 -1.432 -7.679 -3.970 664 HH TYR 93 HH TYR 93 -0.823 -6.064 -5.499 665 H SER 94 H SER 94 0.630 -4.994 2.872 666 HA SER 94 HA SER 94 1.420 -6.717 5.060 667 HB2 SER 94 1HB SER 94 1.024 -4.639 6.438 668 HB3 SER 94 2HB SER 94 2.225 -4.460 5.159 669 HG SER 94 HG SER 94 0.598 -2.742 5.351 670 H LYS 95 H LYS 95 -0.008 -6.281 7.160 671 HA LYS 95 HA LYS 95 -2.231 -7.824 7.069 672 HB2 LYS 95 1HB LYS 95 -1.227 -7.016 9.156 673 HB3 LYS 95 2HB LYS 95 -1.844 -5.400 8.836 674 HG2 LYS 95 1HG LYS 95 -3.382 -6.223 10.337 675 HG3 LYS 95 2HG LYS 95 -4.159 -6.563 8.789 676 HD2 LYS 95 1HD LYS 95 -4.414 -8.588 9.835 677 HD3 LYS 95 2HD LYS 95 -2.871 -8.847 9.017 678 HE2 LYS 95 1HE LYS 95 -2.481 -9.608 11.184 679 HE3 LYS 95 2HE LYS 95 -1.808 -7.979 11.188 680 HZ1 LYS 95 1HZ LYS 95 -3.044 -7.764 13.029 681 HZ2 LYS 95 2HZ LYS 95 -4.076 -9.044 12.635 682 HZ3 LYS 95 3HZ LYS 95 -4.327 -7.516 11.955 683 H THR 96 H THR 96 -4.336 -7.656 6.515 684 HA THR 96 HA THR 96 -5.152 -5.632 4.730 685 HB THR 96 HB THR 96 -6.891 -7.596 6.236 686 HG1 THR 96 1HG THR 96 -5.275 -7.794 3.955 687 HG21 THR 96 1HG2 THR 96 -8.053 -5.633 5.172 688 HG22 THR 96 2HG2 THR 96 -8.549 -7.212 4.561 689 HG23 THR 96 3HG2 THR 96 -7.449 -6.207 3.618 690 H LEU 97 H LEU 97 -5.598 -3.598 5.244 691 HA LEU 97 HA LEU 97 -6.584 -2.950 7.913 692 HB2 LEU 97 1HB LEU 97 -4.768 -1.601 7.208 693 HB3 LEU 97 2HB LEU 97 -5.519 -1.289 5.645 694 HG LEU 97 HG LEU 97 -7.304 -0.010 6.899 695 HD11 LEU 97 1HD1 LEU 97 -5.545 -0.805 9.126 696 HD12 LEU 97 2HD1 LEU 97 -7.272 -0.451 9.110 697 HD13 LEU 97 3HD1 LEU 97 -6.102 0.868 9.134 698 HD21 LEU 97 1HD2 LEU 97 -4.746 0.735 6.023 699 HD22 LEU 97 2HD2 LEU 97 -5.001 1.570 7.555 700 HD23 LEU 97 3HD2 LEU 97 -6.157 1.771 6.238 701 H VAL 98 H VAL 98 -8.711 -2.999 8.195 702 HA VAL 98 HA VAL 98 -10.516 -2.507 5.969 703 HB VAL 98 HB VAL 98 -11.199 -3.184 8.832 704 HG11 VAL 98 1HG1 VAL 98 -13.352 -3.884 7.891 705 HG12 VAL 98 2HG1 VAL 98 -13.039 -2.172 7.600 706 HG13 VAL 98 3HG1 VAL 98 -12.828 -3.342 6.297 707 HG21 VAL 98 1HG2 VAL 98 -9.751 -4.854 7.543 708 HG22 VAL 98 2HG2 VAL 98 -11.245 -5.457 8.262 709 HG23 VAL 98 3HG2 VAL 98 -11.173 -5.116 6.533 710 H LEU 99 H LEU 99 -11.491 -0.630 5.584 711 HA LEU 99 HA LEU 99 -11.379 1.449 7.663 712 HB2 LEU 99 1HB LEU 99 -11.585 1.696 4.667 713 HB3 LEU 99 2HB LEU 99 -11.634 3.052 5.792 714 HG LEU 99 HG LEU 99 -9.450 2.881 4.754 715 HD11 LEU 99 1HD1 LEU 99 -9.314 1.996 7.631 716 HD12 LEU 99 2HD1 LEU 99 -9.641 3.644 7.099 717 HD13 LEU 99 3HD1 LEU 99 -8.087 2.894 6.737 718 HD21 LEU 99 1HD2 LEU 99 -9.158 0.181 6.053 719 HD22 LEU 99 2HD2 LEU 99 -8.047 0.978 4.939 720 HD23 LEU 99 3HD2 LEU 99 -9.610 0.399 4.362 721 H GLN 100 H GLN 100 -13.324 0.386 8.567 722 HA GLN 100 HA GLN 100 -15.768 0.194 7.244 723 HB2 GLN 100 1HB GLN 100 -15.031 0.574 10.131 724 HB3 GLN 100 2HB GLN 100 -16.716 0.533 9.631 725 HG2 GLN 100 1HG GLN 100 -16.423 -1.658 10.131 726 HG3 GLN 100 2HG GLN 100 -15.943 -1.686 8.435 727 HE21 GLN 100 1HE2 GLN 100 -15.095 -3.695 9.960 728 HE22 GLN 100 2HE2 GLN 100 -13.409 -3.552 10.309 729 H THR 101 H THR 101 -16.672 1.800 6.129 730 HA THR 101 HA THR 101 -16.369 4.558 6.875 731 HB THR 101 HB THR 101 -18.093 4.875 4.976 732 HG1 THR 101 1HG THR 101 -18.316 3.070 3.623 733 HG21 THR 101 1HG2 THR 101 -15.342 4.626 5.008 734 HG22 THR 101 2HG2 THR 101 -16.311 5.249 3.673 735 HG23 THR 101 3HG2 THR 101 -15.835 3.551 3.701 736 H SER 102 H SER 102 -18.302 6.005 7.035 737 HA SER 102 HA SER 102 -20.182 4.850 8.947 738 HB2 SER 102 1HB SER 102 -19.754 7.749 8.184 739 HB3 SER 102 2HB SER 102 -20.727 7.157 9.530 740 HG SER 102 HG SER 102 -18.723 6.192 10.318 741 H GLU 103 H GLU 103 -22.466 5.804 8.848 742 HA GLU 103 HA GLU 103 -23.869 4.826 6.742 743 HB2 GLU 103 1HB GLU 103 -25.742 6.112 7.457 744 HB3 GLU 103 2HB GLU 103 -24.805 5.734 8.896 745 HG2 GLU 103 1HG GLU 103 -23.748 8.011 8.656 746 HG3 GLU 103 2HG GLU 103 -24.973 8.352 7.435 747 H GLY 104 H GLY 104 -22.005 7.727 6.795 748 HA2 GLY 104 1HA GLY 104 -21.286 8.549 4.598 749 HA3 GLY 104 2HA GLY 104 -22.944 8.332 4.059 750 H SER 105 H SER 105 -22.895 10.543 3.367 751 HA SER 105 HA SER 105 -22.792 12.556 5.484 752 HB2 SER 105 1HB SER 105 -21.630 12.782 3.183 753 HB3 SER 105 2HB SER 105 -23.243 13.133 2.563 754 HG SER 105 HG SER 105 -23.304 14.970 3.706 755 H GLY 106 H GLY 106 -24.490 14.039 5.846 756 HA2 GLY 106 1HA GLY 106 -27.121 13.105 4.873 757 HA3 GLY 106 2HA GLY 106 -26.855 13.658 6.520 758 HA PRO 107 HA PRO 107 -28.031 17.155 3.466 759 HB2 PRO 107 1HB PRO 107 -30.698 17.303 3.952 760 HB3 PRO 107 2HB PRO 107 -30.010 16.307 2.664 761 HG2 PRO 107 1HG PRO 107 -30.924 15.501 5.399 762 HG3 PRO 107 2HG PRO 107 -31.187 14.686 3.846 763 HD2 PRO 107 1HD PRO 107 -29.287 13.892 5.605 764 HD3 PRO 107 2HD PRO 107 -29.088 13.733 3.848 765 H SER 108 H SER 108 -28.101 16.354 6.703 766 HA SER 108 HA SER 108 -29.188 18.857 7.675 767 HB2 SER 108 1HB SER 108 -28.022 16.420 9.007 768 HB3 SER 108 2HB SER 108 -28.356 17.892 9.920 769 HG SER 108 HG SER 108 -30.543 17.717 9.067 770 H SER 109 H SER 109 -27.757 20.356 6.719 771 HA SER 109 HA SER 109 -25.412 20.876 8.306 772 HB2 SER 109 1HB SER 109 -25.113 20.290 5.351 773 HB3 SER 109 2HB SER 109 -23.850 20.959 6.384 774 HG SER 109 HG SER 109 -24.480 18.908 7.689 775 H GLY 110 H GLY 110 -24.479 22.983 7.868 776 HA2 GLY 110 1HA GLY 110 -24.511 25.112 6.808 777 HA3 GLY 110 2HA GLY 110 -26.097 24.731 6.154 Start of MODEL 10 1 H1 GLY 1 H GLY 1 15.222 -22.893 -10.292 2 HA2 GLY 1 1HA GLY 1 15.644 -20.920 -12.307 3 HA3 GLY 1 2HA GLY 1 14.760 -20.248 -10.944 4 H SER 2 H SER 2 17.427 -19.577 -11.910 5 HA SER 2 HA SER 2 19.349 -20.689 -10.110 6 HB2 SER 2 1HB SER 2 19.342 -18.440 -12.090 7 HB3 SER 2 2HB SER 2 20.657 -18.555 -10.921 8 HG SER 2 HG SER 2 19.851 -20.676 -12.625 9 H SER 3 H SER 3 20.574 -19.393 -8.536 10 HA SER 3 HA SER 3 18.735 -17.831 -6.895 11 HB2 SER 3 1HB SER 3 20.458 -18.088 -5.131 12 HB3 SER 3 2HB SER 3 19.944 -19.641 -5.790 13 HG SER 3 HG SER 3 22.250 -19.406 -5.569 14 H GLY 4 H GLY 4 19.979 -16.755 -9.359 15 HA2 GLY 4 1HA GLY 4 22.051 -14.947 -8.699 16 HA3 GLY 4 2HA GLY 4 20.989 -14.828 -10.094 17 H SER 5 H SER 5 21.582 -13.792 -6.838 18 HA SER 5 HA SER 5 19.851 -11.508 -7.238 19 HB2 SER 5 1HB SER 5 18.507 -13.485 -6.183 20 HB3 SER 5 2HB SER 5 19.390 -13.067 -4.714 21 HG SER 5 HG SER 5 18.519 -10.995 -4.828 22 H SER 6 H SER 6 20.522 -9.734 -6.124 23 HA SER 6 HA SER 6 22.939 -10.077 -4.491 24 HB2 SER 6 1HB SER 6 21.881 -7.655 -5.967 25 HB3 SER 6 2HB SER 6 23.333 -7.659 -4.966 26 HG SER 6 HG SER 6 23.789 -9.608 -6.504 27 H GLY 7 H GLY 7 19.940 -8.155 -4.611 28 HA2 GLY 7 1HA GLY 7 20.050 -8.021 -1.662 29 HA3 GLY 7 2HA GLY 7 19.584 -6.634 -2.635 30 HA PRO 8 HA PRO 8 16.043 -9.887 -1.929 31 HB2 PRO 8 1HB PRO 8 15.396 -9.636 0.695 32 HB3 PRO 8 2HB PRO 8 16.534 -10.850 0.099 33 HG2 PRO 8 1HG PRO 8 17.088 -8.198 1.372 34 HG3 PRO 8 2HG PRO 8 17.880 -9.760 1.650 35 HD2 PRO 8 1HD PRO 8 18.965 -7.835 0.084 36 HD3 PRO 8 2HD PRO 8 19.202 -9.566 -0.228 37 H VAL 9 H VAL 9 13.840 -9.295 -1.755 38 HA VAL 9 HA VAL 9 13.154 -6.731 -2.467 39 HB VAL 9 HB VAL 9 10.826 -7.334 -1.558 40 HG11 VAL 9 1HG1 VAL 9 11.368 -7.566 -3.887 41 HG12 VAL 9 2HG1 VAL 9 12.227 -9.077 -3.581 42 HG13 VAL 9 3HG1 VAL 9 10.478 -8.998 -3.371 43 HG21 VAL 9 1HG2 VAL 9 10.583 -9.131 -0.275 44 HG22 VAL 9 2HG2 VAL 9 11.358 -10.148 -1.489 45 HG23 VAL 9 3HG2 VAL 9 12.336 -9.330 -0.271 46 HA PRO 10 HA PRO 10 13.211 -4.205 1.123 47 HB2 PRO 10 1HB PRO 10 11.118 -2.545 0.640 48 HB3 PRO 10 2HB PRO 10 12.644 -2.449 -0.247 49 HG2 PRO 10 1HG PRO 10 10.065 -3.739 -1.050 50 HG3 PRO 10 2HG PRO 10 11.165 -2.739 -2.017 51 HD2 PRO 10 1HD PRO 10 11.127 -5.441 -2.183 52 HD3 PRO 10 2HD PRO 10 12.608 -4.490 -2.417 53 H ALA 11 H ALA 11 12.656 -4.876 3.092 54 HA ALA 11 HA ALA 11 10.739 -6.544 3.929 55 HB1 ALA 11 1HB ALA 11 11.906 -4.148 5.291 56 HB2 ALA 11 2HB ALA 11 10.692 -5.139 6.102 57 HB3 ALA 11 3HB ALA 11 12.214 -5.861 5.581 58 H THR 12 H THR 12 8.590 -6.574 4.379 59 HA THR 12 HA THR 12 6.856 -4.860 3.031 60 HB THR 12 HB THR 12 6.265 -6.627 5.413 61 HG1 THR 12 1HG THR 12 5.877 -7.090 2.626 62 HG21 THR 12 1HG2 THR 12 4.193 -5.900 3.410 63 HG22 THR 12 2HG2 THR 12 4.619 -4.694 4.624 64 HG23 THR 12 3HG2 THR 12 4.025 -6.278 5.124 65 HA PRO 13 HA PRO 13 6.719 -1.293 5.634 66 HB2 PRO 13 1HB PRO 13 4.453 -0.188 4.627 67 HB3 PRO 13 2HB PRO 13 5.998 -0.160 3.770 68 HG2 PRO 13 1HG PRO 13 3.660 -1.992 3.399 69 HG3 PRO 13 2HG PRO 13 4.668 -1.202 2.172 70 HD2 PRO 13 1HD PRO 13 4.998 -3.794 2.880 71 HD3 PRO 13 2HD PRO 13 6.350 -2.765 2.367 72 H ILE 14 H ILE 14 5.811 -0.734 7.551 73 HA ILE 14 HA ILE 14 3.763 -2.492 8.620 74 HB ILE 14 HB ILE 14 5.344 -0.284 9.941 75 HG12 ILE 14 1HG1 ILE 14 5.633 -3.179 10.607 76 HG13 ILE 14 2HG1 ILE 14 6.375 -2.591 9.123 77 HG21 ILE 14 1HG2 ILE 14 3.014 -1.786 10.807 78 HG22 ILE 14 2HG2 ILE 14 4.378 -1.958 11.910 79 HG23 ILE 14 3HG2 ILE 14 3.764 -0.354 11.513 80 HD11 ILE 14 1HD1 ILE 14 6.866 -1.177 11.704 81 HD12 ILE 14 2HD1 ILE 14 7.752 -2.649 11.305 82 HD13 ILE 14 3HD1 ILE 14 7.863 -1.239 10.251 83 H LEU 15 H LEU 15 1.679 -2.016 8.536 84 HA LEU 15 HA LEU 15 0.676 0.453 7.610 85 HB2 LEU 15 1HB LEU 15 -0.368 -1.946 7.659 86 HB3 LEU 15 2HB LEU 15 -1.000 -1.421 9.218 87 HG LEU 15 HG LEU 15 -2.674 -1.122 7.504 88 HD11 LEU 15 1HD1 LEU 15 -3.338 1.012 8.075 89 HD12 LEU 15 2HD1 LEU 15 -1.694 1.650 8.036 90 HD13 LEU 15 3HD1 LEU 15 -2.209 0.620 9.372 91 HD21 LEU 15 1HD2 LEU 15 -0.418 -0.203 5.966 92 HD22 LEU 15 2HD2 LEU 15 -1.723 0.983 5.936 93 HD23 LEU 15 3HD2 LEU 15 -2.028 -0.678 5.425 94 H GLN 16 H GLN 16 1.413 2.136 8.888 95 HA GLN 16 HA GLN 16 0.509 2.157 11.686 96 HB2 GLN 16 1HB GLN 16 2.753 3.546 10.258 97 HB3 GLN 16 2HB GLN 16 2.122 4.193 11.767 98 HG2 GLN 16 1HG GLN 16 2.515 1.813 12.682 99 HG3 GLN 16 2HG GLN 16 3.555 1.619 11.272 100 HE21 GLN 16 1HE2 GLN 16 5.064 1.285 13.173 101 HE22 GLN 16 2HE2 GLN 16 5.904 2.683 13.741 102 H LEU 17 H LEU 17 -1.580 2.563 10.206 103 HA LEU 17 HA LEU 17 -2.129 4.995 9.044 104 HB2 LEU 17 1HB LEU 17 -3.616 2.965 9.189 105 HB3 LEU 17 2HB LEU 17 -4.063 3.506 10.805 106 HG LEU 17 HG LEU 17 -4.681 5.723 9.474 107 HD11 LEU 17 1HD1 LEU 17 -5.894 4.627 7.355 108 HD12 LEU 17 2HD1 LEU 17 -4.455 3.611 7.423 109 HD13 LEU 17 3HD1 LEU 17 -4.292 5.361 7.279 110 HD21 LEU 17 1HD2 LEU 17 -6.882 4.019 9.010 111 HD22 LEU 17 2HD2 LEU 17 -6.622 5.122 10.362 112 HD23 LEU 17 3HD2 LEU 17 -6.081 3.446 10.472 113 H GLU 18 H GLU 18 -2.338 7.028 9.728 114 HA GLU 18 HA GLU 18 -2.138 7.544 12.601 115 HB2 GLU 18 1HB GLU 18 -1.746 9.334 10.200 116 HB3 GLU 18 2HB GLU 18 -1.667 9.899 11.863 117 HG2 GLU 18 1HG GLU 18 0.088 7.710 10.791 118 HG3 GLU 18 2HG GLU 18 0.535 9.415 10.756 119 H GLU 19 H GLU 19 -4.079 8.506 9.786 120 HA GLU 19 HA GLU 19 -6.070 9.689 11.576 121 HB2 GLU 19 1HB GLU 19 -5.849 9.757 8.561 122 HB3 GLU 19 2HB GLU 19 -7.087 10.576 9.502 123 HG2 GLU 19 1HG GLU 19 -4.154 11.105 9.863 124 HG3 GLU 19 2HG GLU 19 -5.157 11.990 8.715 125 H CYS 20 H CYS 20 -8.040 8.827 11.913 126 HA CYS 20 HA CYS 20 -8.990 6.666 10.199 127 HB2 CYS 20 1HB CYS 20 -7.641 5.733 12.170 128 HB3 CYS 20 2HB CYS 20 -8.959 6.296 13.189 129 HG CYS 20 HG CYS 20 -10.110 4.499 10.659 130 H CYS 21 H CYS 21 -11.223 6.381 10.219 131 HA CYS 21 HA CYS 21 -13.349 7.228 10.194 132 HB2 CYS 21 1HB CYS 21 -12.528 6.990 13.045 133 HB3 CYS 21 2HB CYS 21 -14.044 7.816 12.705 134 HG CYS 21 HG CYS 21 -14.517 5.326 10.934 135 H THR 22 H THR 22 -11.466 9.174 9.489 136 HA THR 22 HA THR 22 -11.635 11.586 10.889 137 HB THR 22 HB THR 22 -10.942 12.688 8.823 138 HG1 THR 22 1HG THR 22 -12.330 11.364 7.437 139 HG21 THR 22 1HG2 THR 22 -8.906 11.917 9.290 140 HG22 THR 22 2HG2 THR 22 -9.239 10.478 8.326 141 HG23 THR 22 3HG2 THR 22 -9.605 10.488 10.050 142 H HIS 23 H HIS 23 -12.749 13.578 10.165 143 HA HIS 23 HA HIS 23 -15.530 13.253 10.158 144 HB2 HIS 23 1HB HIS 23 -13.888 15.662 9.350 145 HB3 HIS 23 2HB HIS 23 -15.617 15.684 9.684 146 HD1 HIS 23 1HD HIS 23 -13.293 17.232 11.276 147 HD2 HIS 23 2HD HIS 23 -15.307 13.805 12.487 148 HE1 HIS 23 1HE HIS 23 -13.089 17.182 13.782 149 HE2 HIS 23 2HE HIS 23 -14.241 15.056 14.485 150 H ASN 24 H ASN 24 -13.236 13.684 7.535 151 HA ASN 24 HA ASN 24 -15.385 13.819 5.568 152 HB2 ASN 24 1HB ASN 24 -12.419 14.244 5.481 153 HB3 ASN 24 2HB ASN 24 -13.295 13.912 3.990 154 HD21 ASN 24 1HD2 ASN 24 -12.484 16.067 3.442 155 HD22 ASN 24 2HD2 ASN 24 -13.408 17.444 3.926 156 H ASN 25 H ASN 25 -15.062 12.454 3.548 157 HA ASN 25 HA ASN 25 -14.826 9.685 4.389 158 HB2 ASN 25 1HB ASN 25 -15.817 9.143 2.230 159 HB3 ASN 25 2HB ASN 25 -16.750 10.415 3.014 160 HD21 ASN 25 1HD2 ASN 25 -16.628 9.737 0.213 161 HD22 ASN 25 2HD2 ASN 25 -16.068 11.147 -0.613 162 H SER 26 H SER 26 -12.382 10.518 4.621 163 HA SER 26 HA SER 26 -10.998 9.409 2.283 164 HB2 SER 26 1HB SER 26 -10.166 11.918 3.760 165 HB3 SER 26 2HB SER 26 -9.224 11.119 2.502 166 HG SER 26 HG SER 26 -10.649 11.752 1.004 167 H ALA 27 H ALA 27 -9.137 8.248 2.730 168 HA ALA 27 HA ALA 27 -8.626 7.744 5.590 169 HB1 ALA 27 1HB ALA 27 -9.207 5.936 3.418 170 HB2 ALA 27 2HB ALA 27 -7.663 5.548 4.176 171 HB3 ALA 27 3HB ALA 27 -9.130 5.624 5.152 172 H THR 28 H THR 28 -6.729 8.484 6.250 173 HA THR 28 HA THR 28 -4.533 8.698 4.300 174 HB THR 28 HB THR 28 -4.709 10.140 6.946 175 HG1 THR 28 1HG THR 28 -6.362 10.573 5.103 176 HG21 THR 28 1HG2 THR 28 -3.245 11.483 4.882 177 HG22 THR 28 2HG2 THR 28 -2.649 9.831 5.044 178 HG23 THR 28 3HG2 THR 28 -2.676 10.901 6.446 179 H LEU 29 H LEU 29 -2.898 7.325 4.498 180 HA LEU 29 HA LEU 29 -2.347 6.160 7.147 181 HB2 LEU 29 1HB LEU 29 -1.398 4.254 5.528 182 HB3 LEU 29 2HB LEU 29 -3.042 4.259 6.164 183 HG LEU 29 HG LEU 29 -2.533 5.568 3.537 184 HD11 LEU 29 1HD1 LEU 29 -1.330 3.452 3.359 185 HD12 LEU 29 2HD1 LEU 29 -2.793 3.441 2.375 186 HD13 LEU 29 3HD1 LEU 29 -2.762 2.586 3.917 187 HD21 LEU 29 1HD2 LEU 29 -4.811 3.812 3.793 188 HD22 LEU 29 2HD2 LEU 29 -4.753 5.535 3.424 189 HD23 LEU 29 3HD2 LEU 29 -4.759 4.992 5.103 190 H SER 30 H SER 30 -0.275 6.169 7.828 191 HA SER 30 HA SER 30 1.757 7.173 5.942 192 HB2 SER 30 1HB SER 30 1.322 8.889 7.568 193 HB3 SER 30 2HB SER 30 1.429 7.734 8.896 194 HG SER 30 HG SER 30 3.644 7.457 8.354 195 H TRP 31 H TRP 31 1.603 4.600 5.782 196 HA TRP 31 HA TRP 31 2.656 2.884 7.629 197 HB2 TRP 31 1HB TRP 31 3.548 1.575 5.671 198 HB3 TRP 31 2HB TRP 31 1.852 2.031 5.542 199 HD1 TRP 31 HD TRP 31 5.191 2.470 3.839 200 HE1 TRP 31 1HE TRP 31 4.872 3.816 1.669 201 HE3 TRP 31 3HE TRP 31 0.348 3.964 4.514 202 HZ2 TRP 31 2HZ TRP 31 2.838 5.313 0.409 203 HZ3 TRP 31 3HZ TRP 31 -0.710 5.352 2.780 204 HH2 TRP 31 HH TRP 31 0.511 6.012 0.771 205 H LYS 32 H LYS 32 4.897 1.787 7.412 206 HA LYS 32 HA LYS 32 7.076 3.590 6.808 207 HB2 LYS 32 1HB LYS 32 7.993 3.728 8.998 208 HB3 LYS 32 2HB LYS 32 6.303 4.193 9.135 209 HG2 LYS 32 1HG LYS 32 6.441 2.801 10.917 210 HG3 LYS 32 2HG LYS 32 6.019 1.618 9.677 211 HD2 LYS 32 1HD LYS 32 8.111 0.699 9.647 212 HD3 LYS 32 2HD LYS 32 8.899 2.210 10.109 213 HE2 LYS 32 1HE LYS 32 7.109 0.877 12.078 214 HE3 LYS 32 2HE LYS 32 8.703 0.183 11.789 215 HZ1 LYS 32 1HZ LYS 32 9.532 2.559 12.167 216 HZ2 LYS 32 2HZ LYS 32 9.050 1.663 13.518 217 HZ3 LYS 32 3HZ LYS 32 8.020 2.840 12.874 218 H GLN 33 H GLN 33 9.188 2.404 7.870 219 HA GLN 33 HA GLN 33 9.005 -0.379 6.925 220 HB2 GLN 33 1HB GLN 33 11.236 1.637 6.780 221 HB3 GLN 33 2HB GLN 33 11.531 -0.084 6.574 222 HG2 GLN 33 1HG GLN 33 9.410 1.185 4.930 223 HG3 GLN 33 2HG GLN 33 11.095 1.505 4.523 224 HE21 GLN 33 1HE2 GLN 33 11.582 0.304 2.830 225 HE22 GLN 33 2HE2 GLN 33 11.241 -1.379 2.648 226 HA PRO 34 HA PRO 34 10.091 -1.748 10.965 227 HB2 PRO 34 1HB PRO 34 11.090 -4.191 10.329 228 HB3 PRO 34 2HB PRO 34 9.362 -3.821 10.292 229 HG2 PRO 34 1HG PRO 34 11.326 -3.924 8.035 230 HG3 PRO 34 2HG PRO 34 9.667 -4.548 8.104 231 HD2 PRO 34 1HD PRO 34 10.293 -2.207 6.897 232 HD3 PRO 34 2HD PRO 34 8.737 -2.477 7.708 233 HA PRO 35 HA PRO 35 14.364 -0.749 11.483 234 HB2 PRO 35 1HB PRO 35 14.695 -1.701 14.004 235 HB3 PRO 35 2HB PRO 35 13.815 -0.210 13.648 236 HG2 PRO 35 1HG PRO 35 12.749 -2.953 14.199 237 HG3 PRO 35 2HG PRO 35 12.171 -1.386 14.797 238 HD2 PRO 35 1HD PRO 35 10.982 -2.692 12.744 239 HD3 PRO 35 2HD PRO 35 11.035 -0.920 12.846 240 H LEU 36 H LEU 36 13.304 -4.000 12.464 241 HA LEU 36 HA LEU 36 15.779 -5.252 12.556 242 HB2 LEU 36 1HB LEU 36 13.287 -6.569 11.512 243 HB3 LEU 36 2HB LEU 36 14.626 -7.311 12.386 244 HG LEU 36 HG LEU 36 12.586 -5.411 13.541 245 HD11 LEU 36 1HD1 LEU 36 11.343 -7.260 13.656 246 HD12 LEU 36 2HD1 LEU 36 12.463 -7.782 14.915 247 HD13 LEU 36 3HD1 LEU 36 12.702 -8.308 13.248 248 HD21 LEU 36 1HD2 LEU 36 14.979 -6.781 14.748 249 HD22 LEU 36 2HD2 LEU 36 13.661 -6.106 15.706 250 HD23 LEU 36 3HD2 LEU 36 14.637 -5.052 14.682 251 H SER 37 H SER 37 13.881 -4.264 9.823 252 HA SER 37 HA SER 37 15.392 -5.855 7.934 253 HB2 SER 37 1HB SER 37 13.916 -5.058 6.283 254 HB3 SER 37 2HB SER 37 12.910 -5.173 7.727 255 HG SER 37 HG SER 37 13.685 -2.828 7.967 256 H THR 38 H THR 38 17.034 -5.182 6.661 257 HA THR 38 HA THR 38 17.920 -2.386 6.971 258 HB THR 38 HB THR 38 19.809 -4.666 6.430 259 HG1 THR 38 1HG THR 38 18.481 -4.693 8.539 260 HG21 THR 38 1HG2 THR 38 20.021 -1.785 7.138 261 HG22 THR 38 2HG2 THR 38 20.998 -2.752 6.033 262 HG23 THR 38 3HG2 THR 38 21.244 -2.883 7.774 263 H VAL 39 H VAL 39 16.166 -3.345 4.924 264 HA VAL 39 HA VAL 39 17.905 -3.072 2.557 265 HB VAL 39 HB VAL 39 15.179 -4.357 2.546 266 HG11 VAL 39 1HG1 VAL 39 16.600 -5.414 0.487 267 HG12 VAL 39 2HG1 VAL 39 15.522 -4.023 0.350 268 HG13 VAL 39 3HG1 VAL 39 17.257 -3.779 0.555 269 HG21 VAL 39 1HG2 VAL 39 17.237 -6.279 2.177 270 HG22 VAL 39 2HG2 VAL 39 17.566 -5.402 3.672 271 HG23 VAL 39 3HG2 VAL 39 16.014 -6.207 3.446 272 HA PRO 40 HA PRO 40 15.724 0.790 2.112 273 HB2 PRO 40 1HB PRO 40 16.973 1.545 -0.177 274 HB3 PRO 40 2HB PRO 40 17.731 1.665 1.415 275 HG2 PRO 40 1HG PRO 40 18.066 -0.438 -0.689 276 HG3 PRO 40 2HG PRO 40 19.299 0.344 0.318 277 HD2 PRO 40 1HD PRO 40 18.323 -2.122 0.862 278 HD3 PRO 40 2HD PRO 40 18.848 -1.001 2.134 279 H ALA 41 H ALA 41 13.928 1.413 1.019 280 HA ALA 41 HA ALA 41 12.997 -0.364 -1.128 281 HB1 ALA 41 1HB ALA 41 10.748 0.555 -0.609 282 HB2 ALA 41 2HB ALA 41 11.500 -0.285 0.747 283 HB3 ALA 41 3HB ALA 41 11.473 1.478 0.708 284 H ASP 42 H ASP 42 12.081 0.486 -3.027 285 HA ASP 42 HA ASP 42 13.169 3.091 -3.773 286 HB2 ASP 42 1HB ASP 42 13.501 1.004 -5.184 287 HB3 ASP 42 2HB ASP 42 11.789 1.109 -5.583 288 H GLY 43 H GLY 43 10.105 1.425 -3.387 289 HA2 GLY 43 1HA GLY 43 8.677 3.866 -3.098 290 HA3 GLY 43 2HA GLY 43 8.380 3.165 -4.681 291 H TYR 44 H TYR 44 6.315 3.535 -2.906 292 HA TYR 44 HA TYR 44 5.688 0.769 -2.105 293 HB2 TYR 44 1HB TYR 44 4.514 3.212 -0.787 294 HB3 TYR 44 2HB TYR 44 4.482 1.547 -0.218 295 HD1 TYR 44 2HD TYR 44 6.947 4.224 -1.073 296 HD2 TYR 44 1HD TYR 44 5.967 0.935 1.442 297 HE1 TYR 44 2HE TYR 44 8.969 4.649 0.260 298 HE2 TYR 44 1HE TYR 44 7.987 1.352 2.783 299 HH TYR 44 HH TYR 44 10.506 2.997 1.851 300 H ILE 45 H ILE 45 3.575 0.039 -2.456 301 HA ILE 45 HA ILE 45 1.935 1.743 -4.216 302 HB ILE 45 HB ILE 45 2.322 -1.245 -4.441 303 HG12 ILE 45 1HG1 ILE 45 3.062 0.888 -6.445 304 HG13 ILE 45 2HG1 ILE 45 4.197 0.276 -5.247 305 HG21 ILE 45 1HG2 ILE 45 0.591 -1.356 -5.868 306 HG22 ILE 45 2HG2 ILE 45 0.065 0.122 -5.064 307 HG23 ILE 45 3HG2 ILE 45 0.950 0.214 -6.586 308 HD11 ILE 45 1HD1 ILE 45 3.691 -0.754 -7.779 309 HD12 ILE 45 2HD1 ILE 45 4.652 -1.491 -6.496 310 HD13 ILE 45 3HD1 ILE 45 2.942 -1.891 -6.659 311 H LEU 46 H LEU 46 -0.117 2.016 -3.613 312 HA LEU 46 HA LEU 46 -1.123 0.396 -1.380 313 HB2 LEU 46 1HB LEU 46 -1.595 3.184 -2.304 314 HB3 LEU 46 2HB LEU 46 -2.895 2.353 -1.452 315 HG LEU 46 HG LEU 46 -0.123 2.849 -0.368 316 HD11 LEU 46 1HD1 LEU 46 -2.757 4.227 0.065 317 HD12 LEU 46 2HD1 LEU 46 -1.217 4.931 -0.425 318 HD13 LEU 46 3HD1 LEU 46 -1.428 4.333 1.220 319 HD21 LEU 46 1HD2 LEU 46 -2.574 1.572 0.829 320 HD22 LEU 46 2HD2 LEU 46 -1.191 2.120 1.776 321 HD23 LEU 46 3HD2 LEU 46 -0.989 0.840 0.579 322 H GLU 47 H GLU 47 -3.151 -0.561 -1.446 323 HA GLU 47 HA GLU 47 -4.554 -0.511 -4.027 324 HB2 GLU 47 1HB GLU 47 -3.875 -2.986 -2.430 325 HB3 GLU 47 2HB GLU 47 -4.925 -2.955 -3.839 326 HG2 GLU 47 1HG GLU 47 -2.896 -1.931 -5.052 327 HG3 GLU 47 2HG GLU 47 -1.968 -2.547 -3.686 328 H LEU 48 H LEU 48 -6.782 -0.813 -3.936 329 HA LEU 48 HA LEU 48 -8.115 -1.419 -1.465 330 HB2 LEU 48 1HB LEU 48 -7.527 0.909 -1.070 331 HB3 LEU 48 2HB LEU 48 -8.277 1.371 -2.596 332 HG LEU 48 HG LEU 48 -10.470 0.674 -1.686 333 HD11 LEU 48 1HD1 LEU 48 -10.606 -0.574 0.138 334 HD12 LEU 48 2HD1 LEU 48 -9.850 0.708 1.084 335 HD13 LEU 48 3HD1 LEU 48 -8.851 -0.521 0.309 336 HD21 LEU 48 1HD2 LEU 48 -10.272 2.504 0.289 337 HD22 LEU 48 2HD2 LEU 48 -10.395 2.908 -1.423 338 HD23 LEU 48 3HD2 LEU 48 -8.816 2.870 -0.636 339 H ASP 49 H ASP 49 -10.141 -2.167 -1.816 340 HA ASP 49 HA ASP 49 -11.026 -2.312 -4.589 341 HB2 ASP 49 1HB ASP 49 -12.488 -4.077 -3.880 342 HB3 ASP 49 2HB ASP 49 -10.917 -4.355 -3.132 343 H ASP 50 H ASP 50 -13.642 -2.461 -4.595 344 HA ASP 50 HA ASP 50 -14.479 0.218 -3.800 345 HB2 ASP 50 1HB ASP 50 -16.543 -0.442 -5.201 346 HB3 ASP 50 2HB ASP 50 -15.019 -0.183 -6.045 347 H GLY 51 H GLY 51 -14.188 -1.481 -1.640 348 HA2 GLY 51 1HA GLY 51 -15.299 -2.381 0.165 349 HA3 GLY 51 2HA GLY 51 -16.496 -1.147 -0.198 350 H ASN 52 H ASN 52 -15.723 -3.765 -2.390 351 HA ASN 52 HA ASN 52 -18.460 -4.770 -2.038 352 HB2 ASN 52 1HB ASN 52 -18.092 -4.140 -4.297 353 HB3 ASN 52 2HB ASN 52 -16.516 -4.925 -4.339 354 HD21 ASN 52 1HD2 ASN 52 -19.878 -5.789 -3.584 355 HD22 ASN 52 2HD2 ASN 52 -19.876 -7.265 -4.481 356 H GLY 53 H GLY 53 -15.093 -5.674 -1.883 357 HA2 GLY 53 1HA GLY 53 -14.287 -7.446 -0.545 358 HA3 GLY 53 2HA GLY 53 -15.876 -8.194 -0.620 359 H GLY 54 H GLY 54 -13.880 -7.025 -3.304 360 HA2 GLY 54 1HA GLY 54 -13.685 -9.824 -4.235 361 HA3 GLY 54 2HA GLY 54 -14.057 -8.497 -5.326 362 H GLN 55 H GLN 55 -12.403 -7.835 -6.506 363 HA GLN 55 HA GLN 55 -9.692 -8.491 -5.665 364 HB2 GLN 55 1HB GLN 55 -9.046 -7.884 -7.941 365 HB3 GLN 55 2HB GLN 55 -10.375 -9.035 -7.957 366 HG2 GLN 55 1HG GLN 55 -11.900 -7.470 -8.695 367 HG3 GLN 55 2HG GLN 55 -10.938 -6.110 -8.117 368 HE21 GLN 55 1HE2 GLN 55 -12.013 -7.481 -10.811 369 HE22 GLN 55 2HE2 GLN 55 -10.735 -7.094 -11.907 370 H PHE 56 H PHE 56 -7.969 -6.903 -5.824 371 HA PHE 56 HA PHE 56 -8.906 -4.232 -5.028 372 HB2 PHE 56 1HB PHE 56 -6.248 -5.565 -4.471 373 HB3 PHE 56 2HB PHE 56 -6.748 -3.981 -3.888 374 HD1 PHE 56 1HD PHE 56 -8.033 -7.487 -3.892 375 HD2 PHE 56 2HD PHE 56 -7.477 -3.868 -1.722 376 HE1 PHE 56 1HE PHE 56 -9.012 -8.539 -1.894 377 HE2 PHE 56 2HE PHE 56 -8.453 -4.914 0.279 378 HZ PHE 56 HZ PHE 56 -9.222 -7.252 0.195 379 H ARG 57 H ARG 57 -7.626 -2.382 -5.704 380 HA ARG 57 HA ARG 57 -6.073 -2.815 -8.158 381 HB2 ARG 57 1HB ARG 57 -7.221 -1.080 -9.332 382 HB3 ARG 57 2HB ARG 57 -8.442 -2.176 -8.698 383 HG2 ARG 57 1HG ARG 57 -8.779 -0.603 -6.802 384 HG3 ARG 57 2HG ARG 57 -7.675 0.518 -7.601 385 HD2 ARG 57 1HD ARG 57 -9.956 -0.566 -9.169 386 HD3 ARG 57 2HD ARG 57 -10.298 0.652 -7.941 387 HE ARG 57 HE ARG 57 -8.237 1.715 -9.357 388 HH11 ARG 57 2HH1 ARG 57 -11.366 0.447 -10.204 389 HH12 ARG 57 1HH1 ARG 57 -11.559 1.482 -11.579 390 HH21 ARG 57 2HH2 ARG 57 -8.478 3.083 -11.166 391 HH22 ARG 57 1HH2 ARG 57 -9.915 2.981 -12.127 392 H GLU 58 H GLU 58 -4.617 -1.089 -8.690 393 HA GLU 58 HA GLU 58 -3.303 -0.006 -6.432 394 HB2 GLU 58 1HB GLU 58 -2.998 0.478 -9.392 395 HB3 GLU 58 2HB GLU 58 -1.984 1.274 -8.196 396 HG2 GLU 58 1HG GLU 58 -0.858 -0.635 -7.667 397 HG3 GLU 58 2HG GLU 58 -2.212 -1.683 -8.088 398 H VAL 59 H VAL 59 -3.618 1.832 -5.364 399 HA VAL 59 HA VAL 59 -5.401 3.848 -6.563 400 HB VAL 59 HB VAL 59 -5.861 4.587 -4.239 401 HG11 VAL 59 1HG1 VAL 59 -7.106 2.708 -5.590 402 HG12 VAL 59 2HG1 VAL 59 -6.493 1.677 -4.296 403 HG13 VAL 59 3HG1 VAL 59 -7.531 3.051 -3.914 404 HG21 VAL 59 1HG2 VAL 59 -4.322 2.111 -3.461 405 HG22 VAL 59 2HG2 VAL 59 -3.783 3.773 -3.217 406 HG23 VAL 59 3HG2 VAL 59 -5.206 3.174 -2.366 407 H TYR 60 H TYR 60 -2.314 3.286 -5.053 408 HA TYR 60 HA TYR 60 -1.456 5.952 -5.848 409 HB2 TYR 60 1HB TYR 60 -1.830 6.658 -3.709 410 HB3 TYR 60 2HB TYR 60 -1.712 5.035 -3.038 411 HD1 TYR 60 2HD TYR 60 0.176 8.012 -4.059 412 HD2 TYR 60 1HD TYR 60 0.411 4.137 -2.316 413 HE1 TYR 60 2HE TYR 60 2.454 8.509 -3.276 414 HE2 TYR 60 1HE TYR 60 2.690 4.624 -1.527 415 HH TYR 60 HH TYR 60 4.198 6.297 -1.174 416 H VAL 61 H VAL 61 0.745 6.118 -6.248 417 HA VAL 61 HA VAL 61 2.512 3.910 -5.633 418 HB VAL 61 HB VAL 61 1.958 4.616 -8.517 419 HG11 VAL 61 1HG1 VAL 61 3.912 2.750 -7.201 420 HG12 VAL 61 2HG1 VAL 61 3.434 2.581 -8.891 421 HG13 VAL 61 3HG1 VAL 61 4.237 4.053 -8.344 422 HG21 VAL 61 1HG2 VAL 61 1.167 2.250 -6.839 423 HG22 VAL 61 2HG2 VAL 61 0.130 3.315 -7.787 424 HG23 VAL 61 3HG2 VAL 61 1.216 2.189 -8.601 425 H GLY 62 H GLY 62 4.440 4.724 -5.142 426 HA2 GLY 62 1HA GLY 62 5.859 6.592 -6.673 427 HA3 GLY 62 2HA GLY 62 5.045 7.464 -5.382 428 H LYS 63 H LYS 63 6.774 8.035 -4.158 429 HA LYS 63 HA LYS 63 8.280 5.823 -2.934 430 HB2 LYS 63 1HB LYS 63 10.219 7.494 -2.811 431 HB3 LYS 63 2HB LYS 63 9.877 6.765 -4.374 432 HG2 LYS 63 1HG LYS 63 10.073 8.907 -5.056 433 HG3 LYS 63 2HG LYS 63 8.367 8.952 -4.602 434 HD2 LYS 63 1HD LYS 63 10.308 9.511 -2.446 435 HD3 LYS 63 2HD LYS 63 10.188 10.726 -3.721 436 HE2 LYS 63 1HE LYS 63 8.054 11.294 -3.166 437 HE3 LYS 63 2HE LYS 63 7.653 9.673 -2.601 438 HZ1 LYS 63 1HZ LYS 63 9.225 10.200 -0.685 439 HZ2 LYS 63 2HZ LYS 63 7.714 10.960 -0.682 440 HZ3 LYS 63 3HZ LYS 63 9.091 11.817 -1.164 441 H GLU 64 H GLU 64 5.959 7.791 -2.262 442 HA GLU 64 HA GLU 64 6.996 9.169 0.059 443 HB2 GLU 64 1HB GLU 64 4.364 9.008 -1.332 444 HB3 GLU 64 2HB GLU 64 4.377 9.495 0.357 445 HG2 GLU 64 1HG GLU 64 6.116 10.828 -1.689 446 HG3 GLU 64 2HG GLU 64 4.450 11.329 -1.404 447 H THR 65 H THR 65 5.622 8.931 2.139 448 HA THR 65 HA THR 65 5.193 6.065 2.678 449 HB THR 65 HB THR 65 6.040 6.458 4.981 450 HG1 THR 65 1HG THR 65 6.839 8.390 5.553 451 HG21 THR 65 1HG2 THR 65 7.679 5.455 3.720 452 HG22 THR 65 2HG2 THR 65 8.495 6.956 4.160 453 HG23 THR 65 3HG2 THR 65 7.758 6.787 2.567 454 H MET 66 H MET 66 3.783 9.050 2.533 455 HA MET 66 HA MET 66 1.567 8.161 4.221 456 HB2 MET 66 1HB MET 66 2.521 9.594 5.776 457 HB3 MET 66 2HB MET 66 3.125 10.695 4.545 458 HG2 MET 66 1HG MET 66 1.397 11.849 5.614 459 HG3 MET 66 2HG MET 66 0.710 11.292 4.091 460 HE1 MET 66 1HE MET 66 0.479 11.745 7.578 461 HE2 MET 66 2HE MET 66 -1.176 12.055 7.054 462 HE3 MET 66 3HE MET 66 -0.840 10.743 8.185 463 H CYS 67 H CYS 67 -0.079 8.026 2.847 464 HA CYS 67 HA CYS 67 -0.719 10.341 1.188 465 HB2 CYS 67 1HB CYS 67 0.624 8.573 -0.124 466 HB3 CYS 67 2HB CYS 67 -0.828 7.584 -0.017 467 HG CYS 67 HG CYS 67 -0.962 8.621 -2.521 468 H THR 68 H THR 68 -2.889 10.650 0.856 469 HA THR 68 HA THR 68 -4.681 8.734 2.202 470 HB THR 68 HB THR 68 -4.449 11.017 3.274 471 HG1 THR 68 1HG THR 68 -7.044 10.305 2.327 472 HG21 THR 68 1HG2 THR 68 -4.380 12.256 1.095 473 HG22 THR 68 2HG2 THR 68 -5.530 12.901 2.267 474 HG23 THR 68 3HG2 THR 68 -6.102 11.919 0.918 475 H VAL 69 H VAL 69 -6.767 8.403 1.305 476 HA VAL 69 HA VAL 69 -6.863 8.905 -1.591 477 HB VAL 69 HB VAL 69 -6.906 6.533 -0.883 478 HG11 VAL 69 1HG1 VAL 69 -8.451 7.333 1.175 479 HG12 VAL 69 2HG1 VAL 69 -9.686 6.713 0.078 480 HG13 VAL 69 3HG1 VAL 69 -8.366 5.667 0.604 481 HG21 VAL 69 1HG2 VAL 69 -8.803 5.867 -2.263 482 HG22 VAL 69 2HG2 VAL 69 -9.476 7.493 -2.142 483 HG23 VAL 69 3HG2 VAL 69 -7.950 7.231 -2.986 484 H ASP 70 H ASP 70 -8.809 9.573 -2.574 485 HA ASP 70 HA ASP 70 -10.774 10.771 -0.734 486 HB2 ASP 70 1HB ASP 70 -9.759 12.681 -1.542 487 HB3 ASP 70 2HB ASP 70 -9.371 11.946 -3.095 488 H GLY 71 H GLY 71 -12.932 10.694 -1.335 489 HA2 GLY 71 1HA GLY 71 -14.780 10.125 -2.634 490 HA3 GLY 71 2HA GLY 71 -13.691 9.577 -3.899 491 H LEU 72 H LEU 72 -14.592 8.687 -0.564 492 HA LEU 72 HA LEU 72 -14.432 5.864 -1.382 493 HB2 LEU 72 1HB LEU 72 -14.236 7.111 1.356 494 HB3 LEU 72 2HB LEU 72 -14.223 5.377 1.036 495 HG LEU 72 HG LEU 72 -12.141 7.314 0.028 496 HD11 LEU 72 1HD1 LEU 72 -10.735 6.655 1.784 497 HD12 LEU 72 2HD1 LEU 72 -11.800 5.330 2.255 498 HD13 LEU 72 3HD1 LEU 72 -12.286 7.000 2.550 499 HD21 LEU 72 1HD2 LEU 72 -12.151 5.459 -1.401 500 HD22 LEU 72 2HD2 LEU 72 -12.458 4.330 -0.082 501 HD23 LEU 72 3HD2 LEU 72 -10.881 5.106 -0.230 502 H HIS 73 H HIS 73 -16.236 4.691 -1.440 503 HA HIS 73 HA HIS 73 -18.780 5.764 -1.196 504 HB2 HIS 73 1HB HIS 73 -17.978 3.543 -2.285 505 HB3 HIS 73 2HB HIS 73 -18.278 2.845 -0.696 506 HD1 HIS 73 1HD HIS 73 -20.367 1.539 -1.025 507 HD2 HIS 73 2HD HIS 73 -20.637 5.358 -2.639 508 HE1 HIS 73 1HE HIS 73 -22.753 1.782 -1.781 509 HE2 HIS 73 2HE HIS 73 -22.871 4.069 -2.831 510 H PHE 74 H PHE 74 -20.511 4.876 0.323 511 HA PHE 74 HA PHE 74 -19.468 4.886 3.080 512 HB2 PHE 74 1HB PHE 74 -22.225 5.853 2.397 513 HB3 PHE 74 2HB PHE 74 -21.220 6.254 3.786 514 HD1 PHE 74 1HD PHE 74 -18.765 7.202 2.769 515 HD2 PHE 74 2HD PHE 74 -22.664 7.715 1.142 516 HE1 PHE 74 1HE PHE 74 -18.019 9.256 1.638 517 HE2 PHE 74 2HE PHE 74 -21.924 9.768 0.007 518 HZ PHE 74 HZ PHE 74 -19.599 10.541 0.254 519 H ASN 75 H ASN 75 -21.299 4.060 4.635 520 HA ASN 75 HA ASN 75 -22.142 2.069 5.420 521 HB2 ASN 75 1HB ASN 75 -23.838 2.920 3.105 522 HB3 ASN 75 2HB ASN 75 -24.193 1.394 3.910 523 HD21 ASN 75 1HD2 ASN 75 -25.149 4.436 3.785 524 HD22 ASN 75 2HD2 ASN 75 -25.658 4.693 5.416 525 H SER 76 H SER 76 -19.842 1.448 4.160 526 HA SER 76 HA SER 76 -20.316 -1.242 3.311 527 HB2 SER 76 1HB SER 76 -19.341 0.786 1.293 528 HB3 SER 76 2HB SER 76 -19.112 -0.952 1.100 529 HG SER 76 HG SER 76 -21.480 -1.067 1.384 530 H THR 77 H THR 77 -18.681 -2.446 4.017 531 HA THR 77 HA THR 77 -16.441 -1.299 5.307 532 HB THR 77 HB THR 77 -16.692 -4.176 4.422 533 HG1 THR 77 1HG THR 77 -17.477 -3.282 6.974 534 HG21 THR 77 1HG2 THR 77 -15.499 -4.217 6.841 535 HG22 THR 77 2HG2 THR 77 -14.914 -2.668 6.235 536 HG23 THR 77 3HG2 THR 77 -14.612 -4.144 5.319 537 H TYR 78 H TYR 78 -14.322 -1.110 4.703 538 HA TYR 78 HA TYR 78 -13.688 -1.754 1.898 539 HB2 TYR 78 1HB TYR 78 -13.256 0.741 3.467 540 HB3 TYR 78 2HB TYR 78 -12.014 0.279 2.309 541 HD1 TYR 78 1HD TYR 78 -15.538 1.274 2.697 542 HD2 TYR 78 2HD TYR 78 -12.403 0.432 -0.053 543 HE1 TYR 78 1HE TYR 78 -16.873 2.261 0.883 544 HE2 TYR 78 2HE TYR 78 -13.729 1.419 -1.875 545 HH TYR 78 HH TYR 78 -16.835 1.850 -1.862 546 H ASN 79 H ASN 79 -11.485 -2.268 1.438 547 HA ASN 79 HA ASN 79 -9.821 -2.936 3.758 548 HB2 ASN 79 1HB ASN 79 -10.450 -4.836 1.487 549 HB3 ASN 79 2HB ASN 79 -9.286 -5.137 2.774 550 HD21 ASN 79 1HD2 ASN 79 -12.694 -4.416 2.194 551 HD22 ASN 79 2HD2 ASN 79 -13.295 -5.313 3.543 552 H ALA 80 H ALA 80 -7.917 -1.992 3.505 553 HA ALA 80 HA ALA 80 -6.792 -1.789 0.789 554 HB1 ALA 80 1HB ALA 80 -7.570 0.399 1.581 555 HB2 ALA 80 2HB ALA 80 -6.519 0.254 2.990 556 HB3 ALA 80 3HB ALA 80 -5.819 0.356 1.375 557 H ARG 81 H ARG 81 -4.605 -2.161 0.554 558 HA ARG 81 HA ARG 81 -3.099 -2.908 2.962 559 HB2 ARG 81 1HB ARG 81 -2.233 -4.898 1.888 560 HB3 ARG 81 2HB ARG 81 -3.991 -4.960 1.905 561 HG2 ARG 81 1HG ARG 81 -3.682 -3.871 -0.489 562 HG3 ARG 81 2HG ARG 81 -2.120 -4.686 -0.376 563 HD2 ARG 81 1HD ARG 81 -3.181 -6.806 -0.035 564 HD3 ARG 81 2HD ARG 81 -4.766 -6.045 0.101 565 HE ARG 81 HE ARG 81 -3.882 -5.328 -2.377 566 HH11 ARG 81 2HH1 ARG 81 -4.337 -8.352 -0.712 567 HH12 ARG 81 1HH1 ARG 81 -4.684 -9.244 -2.156 568 HH21 ARG 81 2HH2 ARG 81 -4.338 -6.492 -4.285 569 HH22 ARG 81 1HH2 ARG 81 -4.684 -8.185 -4.188 570 H VAL 82 H VAL 82 -0.915 -2.481 2.904 571 HA VAL 82 HA VAL 82 0.063 -1.080 0.500 572 HB VAL 82 HB VAL 82 -0.316 0.445 2.423 573 HG11 VAL 82 1HG1 VAL 82 1.898 -1.117 3.748 574 HG12 VAL 82 2HG1 VAL 82 1.086 0.314 4.387 575 HG13 VAL 82 3HG1 VAL 82 0.195 -1.196 4.198 576 HG21 VAL 82 1HG2 VAL 82 1.350 0.989 0.738 577 HG22 VAL 82 2HG2 VAL 82 1.885 1.530 2.329 578 HG23 VAL 82 3HG2 VAL 82 2.567 0.067 1.619 579 H LYS 83 H LYS 83 2.059 -1.593 -0.260 580 HA LYS 83 HA LYS 83 3.766 -3.372 1.314 581 HB2 LYS 83 1HB LYS 83 4.105 -4.821 -0.704 582 HB3 LYS 83 2HB LYS 83 2.505 -4.936 0.016 583 HG2 LYS 83 1HG LYS 83 1.480 -3.911 -1.755 584 HG3 LYS 83 2HG LYS 83 2.930 -3.016 -2.216 585 HD2 LYS 83 1HD LYS 83 3.845 -5.453 -2.689 586 HD3 LYS 83 2HD LYS 83 2.125 -5.807 -2.864 587 HE2 LYS 83 1HE LYS 83 2.998 -5.257 -5.023 588 HE3 LYS 83 2HE LYS 83 1.974 -3.925 -4.490 589 HZ1 LYS 83 1HZ LYS 83 3.994 -2.749 -3.786 590 HZ2 LYS 83 2HZ LYS 83 3.987 -3.069 -5.446 591 HZ3 LYS 83 3HZ LYS 83 4.941 -4.005 -4.409 592 H ALA 84 H ALA 84 5.911 -3.722 0.136 593 HA ALA 84 HA ALA 84 6.720 -1.164 -1.080 594 HB1 ALA 84 1HB ALA 84 8.007 -1.241 0.800 595 HB2 ALA 84 2HB ALA 84 8.055 -3.004 0.832 596 HB3 ALA 84 3HB ALA 84 9.064 -2.115 -0.308 597 H PHE 85 H PHE 85 8.270 -1.194 -2.782 598 HA PHE 85 HA PHE 85 8.929 -3.717 -4.037 599 HB2 PHE 85 1HB PHE 85 7.755 -3.442 -6.041 600 HB3 PHE 85 2HB PHE 85 6.581 -2.961 -4.820 601 HD1 PHE 85 2HD PHE 85 6.003 -0.604 -4.512 602 HD2 PHE 85 1HD PHE 85 8.651 -1.867 -7.596 603 HE1 PHE 85 2HE PHE 85 5.718 1.564 -5.640 604 HE2 PHE 85 1HE PHE 85 8.371 0.300 -8.729 605 HZ PHE 85 HZ PHE 85 6.902 2.018 -7.752 606 H ASN 86 H ASN 86 10.637 -3.571 -5.491 607 HA ASN 86 HA ASN 86 11.667 -1.025 -6.339 608 HB2 ASN 86 1HB ASN 86 13.832 -1.216 -5.188 609 HB3 ASN 86 2HB ASN 86 12.506 -1.067 -4.038 610 HD21 ASN 86 1HD2 ASN 86 14.194 -1.940 -2.597 611 HD22 ASN 86 2HD2 ASN 86 14.353 -3.656 -2.479 612 H LYS 87 H LYS 87 14.118 -1.543 -7.154 613 HA LYS 87 HA LYS 87 14.029 -2.857 -9.477 614 HB2 LYS 87 1HB LYS 87 16.020 -1.666 -8.330 615 HB3 LYS 87 2HB LYS 87 16.447 -3.266 -7.737 616 HG2 LYS 87 1HG LYS 87 16.333 -3.990 -10.195 617 HG3 LYS 87 2HG LYS 87 16.384 -2.263 -10.558 618 HD2 LYS 87 1HD LYS 87 18.401 -3.448 -8.697 619 HD3 LYS 87 2HD LYS 87 18.597 -3.645 -10.441 620 HE2 LYS 87 1HE LYS 87 19.768 -1.700 -10.075 621 HE3 LYS 87 2HE LYS 87 18.174 -1.066 -10.481 622 HZ1 LYS 87 1HZ LYS 87 17.745 -0.509 -8.300 623 HZ2 LYS 87 2HZ LYS 87 19.396 -0.161 -8.422 624 HZ3 LYS 87 3HZ LYS 87 18.886 -1.589 -7.671 625 H THR 88 H THR 88 14.872 -4.444 -6.405 626 HA THR 88 HA THR 88 15.349 -6.999 -7.232 627 HB THR 88 HB THR 88 13.719 -6.260 -4.794 628 HG1 THR 88 1HG THR 88 16.353 -5.891 -5.442 629 HG21 THR 88 1HG2 THR 88 14.178 -8.359 -3.928 630 HG22 THR 88 2HG2 THR 88 15.551 -8.616 -5.004 631 HG23 THR 88 3HG2 THR 88 13.907 -8.723 -5.631 632 H GLY 89 H GLY 89 12.144 -6.111 -5.942 633 HA2 GLY 89 1HA GLY 89 10.706 -7.085 -8.189 634 HA3 GLY 89 2HA GLY 89 10.781 -8.315 -6.936 635 H VAL 90 H VAL 90 9.266 -8.280 -5.407 636 HA VAL 90 HA VAL 90 8.022 -5.783 -4.604 637 HB VAL 90 HB VAL 90 5.727 -7.098 -4.881 638 HG11 VAL 90 1HG1 VAL 90 5.274 -5.765 -6.814 639 HG12 VAL 90 2HG1 VAL 90 6.363 -4.851 -5.769 640 HG13 VAL 90 3HG1 VAL 90 6.989 -5.658 -7.207 641 HG21 VAL 90 1HG2 VAL 90 6.643 -9.092 -5.864 642 HG22 VAL 90 2HG2 VAL 90 5.694 -8.245 -7.085 643 HG23 VAL 90 3HG2 VAL 90 7.454 -8.152 -7.117 644 H SER 91 H SER 91 6.674 -6.012 -2.703 645 HA SER 91 HA SER 91 7.420 -8.378 -1.117 646 HB2 SER 91 1HB SER 91 7.146 -5.489 -0.453 647 HB3 SER 91 2HB SER 91 6.687 -6.652 0.790 648 HG SER 91 HG SER 91 8.812 -6.380 1.114 649 HA PRO 92 HA PRO 92 3.233 -9.552 -0.544 650 HB2 PRO 92 1HB PRO 92 3.186 -10.317 2.060 651 HB3 PRO 92 2HB PRO 92 3.992 -11.256 0.798 652 HG2 PRO 92 1HG PRO 92 5.169 -9.347 2.780 653 HG3 PRO 92 2HG PRO 92 5.772 -10.931 2.258 654 HD2 PRO 92 1HD PRO 92 6.769 -8.604 1.298 655 HD3 PRO 92 2HD PRO 92 6.688 -10.084 0.321 656 H TYR 93 H TYR 93 1.273 -8.715 0.012 657 HA TYR 93 HA TYR 93 1.093 -6.067 0.903 658 HB2 TYR 93 1HB TYR 93 -1.034 -8.213 0.780 659 HB3 TYR 93 2HB TYR 93 -1.357 -6.503 1.043 660 HD1 TYR 93 1HD TYR 93 0.016 -4.997 -0.824 661 HD2 TYR 93 2HD TYR 93 -1.503 -8.937 -1.349 662 HE1 TYR 93 1HE TYR 93 -0.066 -4.635 -3.256 663 HE2 TYR 93 2HE TYR 93 -1.587 -8.586 -3.782 664 HH TYR 93 HH TYR 93 -0.261 -5.697 -5.270 665 H SER 94 H SER 94 0.530 -5.139 2.839 666 HA SER 94 HA SER 94 1.239 -6.581 5.198 667 HB2 SER 94 1HB SER 94 0.559 -4.448 6.360 668 HB3 SER 94 2HB SER 94 1.779 -4.243 5.103 669 HG SER 94 HG SER 94 -0.947 -3.545 5.069 670 H LYS 95 H LYS 95 -0.242 -6.352 7.193 671 HA LYS 95 HA LYS 95 -2.408 -8.027 6.951 672 HB2 LYS 95 1HB LYS 95 -1.316 -7.418 9.089 673 HB3 LYS 95 2HB LYS 95 -2.078 -5.835 9.008 674 HG2 LYS 95 1HG LYS 95 -3.530 -6.907 10.394 675 HG3 LYS 95 2HG LYS 95 -4.276 -7.270 8.835 676 HD2 LYS 95 1HD LYS 95 -2.231 -9.133 9.964 677 HD3 LYS 95 2HD LYS 95 -3.884 -9.174 10.583 678 HE2 LYS 95 1HE LYS 95 -4.485 -9.237 8.022 679 HE3 LYS 95 2HE LYS 95 -2.844 -9.863 7.876 680 HZ1 LYS 95 1HZ LYS 95 -4.855 -11.017 9.722 681 HZ2 LYS 95 2HZ LYS 95 -3.367 -11.681 9.269 682 HZ3 LYS 95 3HZ LYS 95 -4.624 -11.577 8.142 683 H THR 96 H THR 96 -4.137 -7.764 5.704 684 HA THR 96 HA THR 96 -5.157 -5.661 4.432 685 HB THR 96 HB THR 96 -6.963 -7.573 5.920 686 HG1 THR 96 1HG THR 96 -5.713 -8.922 4.776 687 HG21 THR 96 1HG2 THR 96 -8.233 -7.211 3.650 688 HG22 THR 96 2HG2 THR 96 -7.309 -5.709 3.614 689 HG23 THR 96 3HG2 THR 96 -8.396 -6.043 4.961 690 H LEU 97 H LEU 97 -5.438 -3.633 5.091 691 HA LEU 97 HA LEU 97 -6.357 -3.078 7.798 692 HB2 LEU 97 1HB LEU 97 -4.491 -1.788 7.023 693 HB3 LEU 97 2HB LEU 97 -5.371 -1.300 5.576 694 HG LEU 97 HG LEU 97 -7.004 -0.195 7.292 695 HD11 LEU 97 1HD1 LEU 97 -6.151 -0.998 9.335 696 HD12 LEU 97 2HD1 LEU 97 -5.655 0.691 9.242 697 HD13 LEU 97 3HD1 LEU 97 -4.493 -0.589 8.895 698 HD21 LEU 97 1HD2 LEU 97 -5.122 1.726 7.408 699 HD22 LEU 97 2HD2 LEU 97 -6.078 1.377 5.967 700 HD23 LEU 97 3HD2 LEU 97 -4.452 0.712 6.131 701 H VAL 98 H VAL 98 -8.466 -3.008 8.169 702 HA VAL 98 HA VAL 98 -10.371 -2.566 6.057 703 HB VAL 98 HB VAL 98 -10.910 -2.755 9.022 704 HG11 VAL 98 1HG1 VAL 98 -12.873 -1.985 8.090 705 HG12 VAL 98 2HG1 VAL 98 -12.606 -2.833 6.565 706 HG13 VAL 98 3HG1 VAL 98 -13.101 -3.731 8.000 707 HG21 VAL 98 1HG2 VAL 98 -11.425 -5.153 8.522 708 HG22 VAL 98 2HG2 VAL 98 -10.677 -4.923 6.941 709 HG23 VAL 98 3HG2 VAL 98 -9.717 -4.731 8.408 710 H LEU 99 H LEU 99 -11.873 -0.870 5.917 711 HA LEU 99 HA LEU 99 -11.297 1.514 7.534 712 HB2 LEU 99 1HB LEU 99 -11.968 1.875 4.662 713 HB3 LEU 99 2HB LEU 99 -11.025 2.904 5.739 714 HG LEU 99 HG LEU 99 -9.974 0.267 4.756 715 HD11 LEU 99 1HD1 LEU 99 -8.946 1.331 2.905 716 HD12 LEU 99 2HD1 LEU 99 -9.480 2.925 3.437 717 HD13 LEU 99 3HD1 LEU 99 -10.658 1.753 2.846 718 HD21 LEU 99 1HD2 LEU 99 -7.831 1.755 5.061 719 HD22 LEU 99 2HD2 LEU 99 -8.586 0.960 6.442 720 HD23 LEU 99 3HD2 LEU 99 -8.886 2.671 6.137 721 H GLN 100 H GLN 100 -13.206 0.985 8.701 722 HA GLN 100 HA GLN 100 -15.730 0.593 7.532 723 HB2 GLN 100 1HB GLN 100 -14.872 1.555 10.254 724 HB3 GLN 100 2HB GLN 100 -16.568 1.381 9.822 725 HG2 GLN 100 1HG GLN 100 -16.202 -0.641 10.787 726 HG3 GLN 100 2HG GLN 100 -15.798 -1.031 9.116 727 HE21 GLN 100 1HE2 GLN 100 -14.593 -2.792 10.073 728 HE22 GLN 100 2HE2 GLN 100 -12.992 -2.506 10.657 729 H THR 101 H THR 101 -17.308 1.952 6.869 730 HA THR 101 HA THR 101 -16.682 4.831 6.910 731 HB THR 101 HB THR 101 -18.230 4.961 4.912 732 HG1 THR 101 1HG THR 101 -17.758 2.196 4.593 733 HG21 THR 101 1HG2 THR 101 -16.363 4.977 3.689 734 HG22 THR 101 2HG2 THR 101 -16.178 3.230 3.849 735 HG23 THR 101 3HG2 THR 101 -15.519 4.304 5.083 736 H SER 102 H SER 102 -18.332 6.315 7.334 737 HA SER 102 HA SER 102 -20.483 5.248 8.980 738 HB2 SER 102 1HB SER 102 -19.553 8.087 8.490 739 HB3 SER 102 2HB SER 102 -20.858 7.638 9.588 740 HG SER 102 HG SER 102 -19.434 6.727 10.940 741 H GLU 103 H GLU 103 -22.680 6.121 8.772 742 HA GLU 103 HA GLU 103 -23.868 5.621 6.371 743 HB2 GLU 103 1HB GLU 103 -25.809 6.897 7.175 744 HB3 GLU 103 2HB GLU 103 -25.135 5.873 8.435 745 HG2 GLU 103 1HG GLU 103 -23.877 7.929 9.226 746 HG3 GLU 103 2HG GLU 103 -24.926 8.851 8.150 747 H GLY 104 H GLY 104 -24.301 6.687 4.506 748 HA2 GLY 104 1HA GLY 104 -22.715 8.569 3.422 749 HA3 GLY 104 2HA GLY 104 -24.413 8.439 2.989 750 H SER 105 H SER 105 -25.910 9.524 4.685 751 HA SER 105 HA SER 105 -24.722 12.125 5.403 752 HB2 SER 105 1HB SER 105 -27.538 11.554 4.445 753 HB3 SER 105 2HB SER 105 -26.937 13.132 4.955 754 HG SER 105 HG SER 105 -25.229 12.557 3.227 755 H GLY 106 H GLY 106 -24.653 12.464 7.517 756 HA2 GLY 106 1HA GLY 106 -26.473 10.954 9.257 757 HA3 GLY 106 2HA GLY 106 -24.976 11.724 9.758 758 HA PRO 107 HA PRO 107 -28.807 14.381 10.668 759 HB2 PRO 107 1HB PRO 107 -28.854 14.057 13.363 760 HB3 PRO 107 2HB PRO 107 -29.743 13.006 12.253 761 HG2 PRO 107 1HG PRO 107 -27.108 12.545 13.598 762 HG3 PRO 107 2HG PRO 107 -28.461 11.422 13.374 763 HD2 PRO 107 1HD PRO 107 -26.257 11.379 11.802 764 HD3 PRO 107 2HD PRO 107 -27.869 10.944 11.198 765 H SER 108 H SER 108 -25.553 14.263 11.165 766 HA SER 108 HA SER 108 -24.014 15.913 11.531 767 HB2 SER 108 1HB SER 108 -25.942 17.399 10.622 768 HB3 SER 108 2HB SER 108 -26.190 17.837 12.313 769 HG SER 108 HG SER 108 -24.285 18.675 10.587 770 H SER 109 H SER 109 -24.343 14.123 13.471 771 HA SER 109 HA SER 109 -23.522 15.525 15.807 772 HB2 SER 109 1HB SER 109 -25.994 15.804 15.978 773 HB3 SER 109 2HB SER 109 -26.157 14.048 16.008 774 HG SER 109 HG SER 109 -24.410 15.219 17.839 775 H GLY 110 H GLY 110 -21.840 14.283 16.310 776 HA2 GLY 110 1HA GLY 110 -22.295 11.374 16.526 777 HA3 GLY 110 2HA GLY 110 -20.846 12.012 15.763 Start of MODEL 11 1 H1 GLY 1 H GLY 1 15.641 -18.709 3.173 2 HA2 GLY 1 1HA GLY 1 17.881 -18.190 4.009 3 HA3 GLY 1 2HA GLY 1 17.387 -19.760 4.623 4 H SER 2 H SER 2 19.008 -18.279 1.823 5 HA SER 2 HA SER 2 20.719 -20.673 1.672 6 HB2 SER 2 1HB SER 2 20.147 -18.674 -0.528 7 HB3 SER 2 2HB SER 2 21.055 -20.178 -0.681 8 HG SER 2 HG SER 2 18.897 -20.415 -1.391 9 H SER 3 H SER 3 22.959 -20.297 0.979 10 HA SER 3 HA SER 3 24.075 -18.038 2.415 11 HB2 SER 3 1HB SER 3 25.301 -20.471 1.113 12 HB3 SER 3 2HB SER 3 26.274 -19.177 1.813 13 HG SER 3 HG SER 3 24.262 -20.573 3.241 14 H GLY 4 H GLY 4 22.640 -17.647 -0.148 15 HA2 GLY 4 1HA GLY 4 24.756 -16.107 -1.477 16 HA3 GLY 4 2HA GLY 4 23.806 -17.226 -2.445 17 H SER 5 H SER 5 23.058 -14.818 0.079 18 HA SER 5 HA SER 5 20.669 -14.023 -1.326 19 HB2 SER 5 1HB SER 5 21.970 -13.174 1.252 20 HB3 SER 5 2HB SER 5 20.605 -12.281 0.583 21 HG SER 5 HG SER 5 20.698 -14.822 1.705 22 H SER 6 H SER 6 20.351 -12.241 -2.543 23 HA SER 6 HA SER 6 22.537 -10.288 -2.750 24 HB2 SER 6 1HB SER 6 22.286 -10.236 -5.189 25 HB3 SER 6 2HB SER 6 22.714 -11.858 -4.645 26 HG SER 6 HG SER 6 20.439 -10.964 -5.886 27 H GLY 7 H GLY 7 21.346 -8.808 -1.528 28 HA2 GLY 7 1HA GLY 7 19.686 -7.268 -1.070 29 HA3 GLY 7 2HA GLY 7 19.862 -6.913 -2.782 30 HA PRO 8 HA PRO 8 16.142 -9.996 -2.221 31 HB2 PRO 8 1HB PRO 8 15.080 -10.046 0.277 32 HB3 PRO 8 2HB PRO 8 16.344 -11.162 -0.252 33 HG2 PRO 8 1HG PRO 8 16.587 -8.653 1.362 34 HG3 PRO 8 2HG PRO 8 17.386 -10.218 1.600 35 HD2 PRO 8 1HD PRO 8 18.627 -8.110 0.438 36 HD3 PRO 8 2HD PRO 8 18.978 -9.792 -0.011 37 H VAL 9 H VAL 9 13.734 -9.584 -1.434 38 HA VAL 9 HA VAL 9 13.024 -7.009 -2.379 39 HB VAL 9 HB VAL 9 10.697 -7.666 -1.623 40 HG11 VAL 9 1HG1 VAL 9 10.576 -9.577 -3.301 41 HG12 VAL 9 2HG1 VAL 9 11.233 -8.045 -3.881 42 HG13 VAL 9 3HG1 VAL 9 12.319 -9.378 -3.485 43 HG21 VAL 9 1HG2 VAL 9 12.184 -9.595 -0.166 44 HG22 VAL 9 2HG2 VAL 9 10.439 -9.339 -0.186 45 HG23 VAL 9 3HG2 VAL 9 11.180 -10.449 -1.338 46 HA PRO 10 HA PRO 10 12.971 -4.555 1.262 47 HB2 PRO 10 1HB PRO 10 10.899 -2.885 0.726 48 HB3 PRO 10 2HB PRO 10 12.460 -2.774 -0.096 49 HG2 PRO 10 1HG PRO 10 9.915 -4.046 -1.027 50 HG3 PRO 10 2HG PRO 10 11.053 -3.029 -1.930 51 HD2 PRO 10 1HD PRO 10 11.023 -5.727 -2.148 52 HD3 PRO 10 2HD PRO 10 12.512 -4.774 -2.303 53 H ALA 11 H ALA 11 12.271 -5.020 3.244 54 HA ALA 11 HA ALA 11 10.290 -6.774 3.928 55 HB1 ALA 11 1HB ALA 11 11.189 -6.406 5.920 56 HB2 ALA 11 2HB ALA 11 11.988 -4.956 5.309 57 HB3 ALA 11 3HB ALA 11 10.368 -4.846 5.998 58 H THR 12 H THR 12 8.136 -6.766 3.990 59 HA THR 12 HA THR 12 6.545 -4.878 2.796 60 HB THR 12 HB THR 12 5.767 -6.763 5.029 61 HG1 THR 12 1HG THR 12 5.478 -7.016 2.203 62 HG21 THR 12 1HG2 THR 12 4.256 -4.684 4.239 63 HG22 THR 12 2HG2 THR 12 3.579 -6.235 4.735 64 HG23 THR 12 3HG2 THR 12 3.786 -5.870 3.022 65 HA PRO 13 HA PRO 13 6.462 -1.474 5.615 66 HB2 PRO 13 1HB PRO 13 4.337 -0.169 4.541 67 HB3 PRO 13 2HB PRO 13 5.936 -0.184 3.788 68 HG2 PRO 13 1HG PRO 13 3.526 -1.839 3.147 69 HG3 PRO 13 2HG PRO 13 4.659 -1.039 2.043 70 HD2 PRO 13 1HD PRO 13 4.790 -3.686 2.597 71 HD3 PRO 13 2HD PRO 13 6.231 -2.713 2.241 72 H ILE 14 H ILE 14 5.519 -1.084 7.539 73 HA ILE 14 HA ILE 14 3.389 -2.785 8.424 74 HB ILE 14 HB ILE 14 4.742 -0.480 9.831 75 HG12 ILE 14 1HG1 ILE 14 5.171 -3.342 10.551 76 HG13 ILE 14 2HG1 ILE 14 5.971 -2.727 9.109 77 HG21 ILE 14 1HG2 ILE 14 3.424 -2.599 11.389 78 HG22 ILE 14 2HG2 ILE 14 3.493 -0.860 11.666 79 HG23 ILE 14 3HG2 ILE 14 2.344 -1.523 10.504 80 HD11 ILE 14 1HD1 ILE 14 7.198 -2.669 11.382 81 HD12 ILE 14 2HD1 ILE 14 7.295 -1.272 10.308 82 HD13 ILE 14 3HD1 ILE 14 6.199 -1.249 11.690 83 H LEU 15 H LEU 15 1.523 -2.277 7.322 84 HA LEU 15 HA LEU 15 0.553 0.327 6.877 85 HB2 LEU 15 1HB LEU 15 -0.205 -1.646 5.634 86 HB3 LEU 15 2HB LEU 15 -0.981 -2.260 7.092 87 HG LEU 15 HG LEU 15 -2.744 -0.811 6.931 88 HD11 LEU 15 1HD1 LEU 15 -2.602 1.315 5.552 89 HD12 LEU 15 2HD1 LEU 15 -0.862 1.035 5.492 90 HD13 LEU 15 3HD1 LEU 15 -1.663 1.272 7.045 91 HD21 LEU 15 1HD2 LEU 15 -2.672 -0.386 4.145 92 HD22 LEU 15 2HD2 LEU 15 -3.510 -1.660 5.030 93 HD23 LEU 15 3HD2 LEU 15 -1.865 -1.924 4.451 94 H GLN 16 H GLN 16 0.346 1.672 8.577 95 HA GLN 16 HA GLN 16 -1.499 0.845 10.711 96 HB2 GLN 16 1HB GLN 16 0.992 2.504 11.130 97 HB3 GLN 16 2HB GLN 16 -0.153 2.005 12.369 98 HG2 GLN 16 1HG GLN 16 0.464 -0.397 11.569 99 HG3 GLN 16 2HG GLN 16 1.901 0.399 10.929 100 HE21 GLN 16 1HE2 GLN 16 1.551 -1.562 13.109 101 HE22 GLN 16 2HE2 GLN 16 2.280 -0.838 14.498 102 H LEU 17 H LEU 17 -3.176 1.962 9.671 103 HA LEU 17 HA LEU 17 -3.054 4.600 8.747 104 HB2 LEU 17 1HB LEU 17 -4.864 3.039 8.211 105 HB3 LEU 17 2HB LEU 17 -5.418 3.112 9.883 106 HG LEU 17 HG LEU 17 -5.565 5.712 9.279 107 HD11 LEU 17 1HD1 LEU 17 -6.071 4.299 6.665 108 HD12 LEU 17 2HD1 LEU 17 -4.754 5.422 6.999 109 HD13 LEU 17 3HD1 LEU 17 -6.422 5.993 7.012 110 HD21 LEU 17 1HD2 LEU 17 -7.615 3.598 8.628 111 HD22 LEU 17 2HD2 LEU 17 -7.956 5.322 8.784 112 HD23 LEU 17 3HD2 LEU 17 -7.382 4.406 10.179 113 H GLU 18 H GLU 18 -2.562 6.355 9.874 114 HA GLU 18 HA GLU 18 -2.965 6.443 12.742 115 HB2 GLU 18 1HB GLU 18 -1.557 8.156 10.737 116 HB3 GLU 18 2HB GLU 18 -1.989 8.850 12.293 117 HG2 GLU 18 1HG GLU 18 -0.800 6.863 13.336 118 HG3 GLU 18 2HG GLU 18 -0.151 6.550 11.727 119 H GLU 19 H GLU 19 -3.819 8.629 10.051 120 HA GLU 19 HA GLU 19 -5.452 10.230 9.898 121 HB2 GLU 19 1HB GLU 19 -6.579 7.940 9.544 122 HB3 GLU 19 2HB GLU 19 -7.248 8.169 11.153 123 HG2 GLU 19 1HG GLU 19 -8.270 10.279 10.397 124 HG3 GLU 19 2HG GLU 19 -7.658 9.965 8.774 125 H CYS 20 H CYS 20 -3.993 10.786 12.093 126 HA CYS 20 HA CYS 20 -5.707 11.054 14.409 127 HB2 CYS 20 1HB CYS 20 -3.242 10.585 14.562 128 HB3 CYS 20 2HB CYS 20 -2.952 12.219 13.976 129 HG CYS 20 HG CYS 20 -3.866 13.527 16.163 130 H CYS 21 H CYS 21 -7.353 12.354 13.373 131 HA CYS 21 HA CYS 21 -7.067 15.106 13.912 132 HB2 CYS 21 1HB CYS 21 -5.843 14.658 11.609 133 HB3 CYS 21 2HB CYS 21 -7.487 14.703 10.982 134 HG CYS 21 HG CYS 21 -7.696 17.258 10.891 135 H THR 22 H THR 22 -9.017 16.334 12.745 136 HA THR 22 HA THR 22 -11.363 15.364 13.808 137 HB THR 22 HB THR 22 -12.559 16.928 12.293 138 HG1 THR 22 1HG THR 22 -10.952 18.258 10.998 139 HG21 THR 22 1HG2 THR 22 -11.991 18.561 13.703 140 HG22 THR 22 2HG2 THR 22 -10.382 18.687 12.992 141 HG23 THR 22 3HG2 THR 22 -10.687 17.526 14.284 142 H HIS 23 H HIS 23 -13.401 14.861 12.510 143 HA HIS 23 HA HIS 23 -12.848 12.525 10.892 144 HB2 HIS 23 1HB HIS 23 -14.617 12.573 12.677 145 HB3 HIS 23 2HB HIS 23 -15.537 13.677 11.657 146 HD1 HIS 23 1HD HIS 23 -17.102 12.616 10.050 147 HD2 HIS 23 2HD HIS 23 -14.174 9.971 11.352 148 HE1 HIS 23 1HE HIS 23 -17.722 10.387 9.064 149 HE2 HIS 23 2HE HIS 23 -15.985 8.785 9.936 150 H ASN 24 H ASN 24 -12.961 12.403 8.740 151 HA ASN 24 HA ASN 24 -14.564 14.268 7.213 152 HB2 ASN 24 1HB ASN 24 -11.550 14.218 7.036 153 HB3 ASN 24 2HB ASN 24 -12.569 14.860 5.751 154 HD21 ASN 24 1HD2 ASN 24 -14.091 16.582 6.389 155 HD22 ASN 24 2HD2 ASN 24 -13.568 17.729 7.570 156 H ASN 25 H ASN 25 -14.356 13.772 4.808 157 HA ASN 25 HA ASN 25 -14.605 10.914 4.484 158 HB2 ASN 25 1HB ASN 25 -15.403 11.434 2.242 159 HB3 ASN 25 2HB ASN 25 -16.201 12.475 3.417 160 HD21 ASN 25 1HD2 ASN 25 -15.011 12.488 0.449 161 HD22 ASN 25 2HD2 ASN 25 -14.457 14.120 0.322 162 H SER 26 H SER 26 -12.026 11.423 5.153 163 HA SER 26 HA SER 26 -10.623 10.535 2.768 164 HB2 SER 26 1HB SER 26 -8.757 12.170 3.173 165 HB3 SER 26 2HB SER 26 -10.254 12.909 2.605 166 HG SER 26 HG SER 26 -9.140 12.930 5.197 167 H ALA 27 H ALA 27 -9.394 8.857 3.285 168 HA ALA 27 HA ALA 27 -8.660 8.468 6.103 169 HB1 ALA 27 1HB ALA 27 -8.102 6.135 4.629 170 HB2 ALA 27 2HB ALA 27 -9.400 6.401 5.793 171 HB3 ALA 27 3HB ALA 27 -9.672 6.721 4.080 172 H THR 28 H THR 28 -6.654 9.004 6.631 173 HA THR 28 HA THR 28 -4.554 8.887 4.581 174 HB THR 28 HB THR 28 -4.243 10.206 7.265 175 HG1 THR 28 1HG THR 28 -5.768 11.028 5.088 176 HG21 THR 28 1HG2 THR 28 -3.027 11.512 5.005 177 HG22 THR 28 2HG2 THR 28 -2.559 9.812 5.058 178 HG23 THR 28 3HG2 THR 28 -2.269 10.851 6.453 179 H LEU 29 H LEU 29 -3.238 7.198 4.618 180 HA LEU 29 HA LEU 29 -2.807 5.797 7.171 181 HB2 LEU 29 1HB LEU 29 -1.916 4.025 5.386 182 HB3 LEU 29 2HB LEU 29 -3.597 4.108 5.907 183 HG LEU 29 HG LEU 29 -2.793 5.682 3.514 184 HD11 LEU 29 1HD1 LEU 29 -3.050 3.775 2.054 185 HD12 LEU 29 2HD1 LEU 29 -3.295 2.711 3.438 186 HD13 LEU 29 3HD1 LEU 29 -1.730 3.484 3.187 187 HD21 LEU 29 1HD2 LEU 29 -5.081 5.707 4.554 188 HD22 LEU 29 2HD2 LEU 29 -5.242 4.019 4.067 189 HD23 LEU 29 3HD2 LEU 29 -5.035 5.274 2.844 190 H SER 30 H SER 30 -0.832 5.769 8.030 191 HA SER 30 HA SER 30 1.406 6.729 6.373 192 HB2 SER 30 1HB SER 30 2.448 7.451 8.520 193 HB3 SER 30 2HB SER 30 0.920 8.267 8.186 194 HG SER 30 HG SER 30 0.322 7.557 10.061 195 H TRP 31 H TRP 31 1.493 4.408 5.700 196 HA TRP 31 HA TRP 31 2.243 2.385 7.529 197 HB2 TRP 31 1HB TRP 31 2.975 1.149 5.475 198 HB3 TRP 31 2HB TRP 31 1.326 1.762 5.395 199 HD1 TRP 31 HD TRP 31 4.670 1.987 3.673 200 HE1 TRP 31 1HE TRP 31 4.470 3.507 1.605 201 HE3 TRP 31 3HE TRP 31 0.017 3.921 4.535 202 HZ2 TRP 31 2HZ TRP 31 2.588 5.290 0.488 203 HZ3 TRP 31 3HZ TRP 31 -0.910 5.528 2.918 204 HH2 TRP 31 HH TRP 31 0.351 6.197 0.938 205 H LYS 32 H LYS 32 4.096 2.110 8.565 206 HA LYS 32 HA LYS 32 6.515 3.402 7.489 207 HB2 LYS 32 1HB LYS 32 7.324 3.639 9.720 208 HB3 LYS 32 2HB LYS 32 5.661 4.211 9.714 209 HG2 LYS 32 1HG LYS 32 4.891 2.218 10.766 210 HG3 LYS 32 2HG LYS 32 6.465 1.444 10.576 211 HD2 LYS 32 1HD LYS 32 7.278 3.540 11.958 212 HD3 LYS 32 2HD LYS 32 5.597 3.550 12.495 213 HE2 LYS 32 1HE LYS 32 5.787 1.520 13.564 214 HE3 LYS 32 2HE LYS 32 7.120 0.987 12.542 215 HZ1 LYS 32 1HZ LYS 32 7.186 2.408 15.029 216 HZ2 LYS 32 2HZ LYS 32 8.128 3.152 13.837 217 HZ3 LYS 32 3HZ LYS 32 8.411 1.537 14.252 218 H GLN 33 H GLN 33 8.494 2.278 7.570 219 HA GLN 33 HA GLN 33 8.250 -0.543 7.144 220 HB2 GLN 33 1HB GLN 33 10.576 1.368 7.147 221 HB3 GLN 33 2HB GLN 33 10.804 -0.365 6.953 222 HG2 GLN 33 1HG GLN 33 8.852 1.006 5.184 223 HG3 GLN 33 2HG GLN 33 10.574 1.242 4.884 224 HE21 GLN 33 1HE2 GLN 33 11.840 -0.897 4.968 225 HE22 GLN 33 2HE2 GLN 33 11.142 -2.207 4.084 226 HA PRO 34 HA PRO 34 9.123 -2.069 11.167 227 HB2 PRO 34 1HB PRO 34 10.394 -4.388 10.553 228 HB3 PRO 34 2HB PRO 34 8.655 -4.158 10.334 229 HG2 PRO 34 1HG PRO 34 10.858 -3.990 8.314 230 HG3 PRO 34 2HG PRO 34 9.262 -4.749 8.168 231 HD2 PRO 34 1HD PRO 34 9.813 -2.308 7.134 232 HD3 PRO 34 2HD PRO 34 8.206 -2.744 7.750 233 HA PRO 35 HA PRO 35 13.214 -0.706 12.164 234 HB2 PRO 35 1HB PRO 35 13.299 -1.616 14.721 235 HB3 PRO 35 2HB PRO 35 12.366 -0.194 14.237 236 HG2 PRO 35 1HG PRO 35 11.439 -3.003 14.696 237 HG3 PRO 35 2HG PRO 35 10.681 -1.480 15.195 238 HD2 PRO 35 1HD PRO 35 9.850 -2.880 13.032 239 HD3 PRO 35 2HD PRO 35 9.763 -1.109 13.114 240 H LEU 36 H LEU 36 12.200 -3.991 12.154 241 HA LEU 36 HA LEU 36 14.899 -4.990 12.660 242 HB2 LEU 36 1HB LEU 36 12.377 -6.544 12.110 243 HB3 LEU 36 2HB LEU 36 13.907 -7.187 12.702 244 HG LEU 36 HG LEU 36 12.149 -5.272 14.233 245 HD11 LEU 36 1HD1 LEU 36 12.472 -8.251 14.565 246 HD12 LEU 36 2HD1 LEU 36 11.057 -7.444 13.891 247 HD13 LEU 36 3HD1 LEU 36 11.501 -7.181 15.577 248 HD21 LEU 36 1HD2 LEU 36 14.646 -6.804 14.929 249 HD22 LEU 36 2HD2 LEU 36 13.584 -6.079 16.136 250 HD23 LEU 36 3HD2 LEU 36 14.402 -5.057 14.953 251 H SER 37 H SER 37 13.907 -3.517 10.182 252 HA SER 37 HA SER 37 14.648 -5.563 8.195 253 HB2 SER 37 1HB SER 37 12.517 -4.828 7.565 254 HB3 SER 37 2HB SER 37 12.850 -3.160 8.029 255 HG SER 37 HG SER 37 13.437 -2.838 6.050 256 H THR 38 H THR 38 16.479 -5.310 7.088 257 HA THR 38 HA THR 38 17.863 -2.713 7.278 258 HB THR 38 HB THR 38 19.984 -4.022 6.976 259 HG1 THR 38 1HG THR 38 19.325 -5.968 6.189 260 HG21 THR 38 1HG2 THR 38 20.180 -3.897 9.194 261 HG22 THR 38 2HG2 THR 38 19.073 -5.253 9.414 262 HG23 THR 38 3HG2 THR 38 18.442 -3.612 9.282 263 H VAL 39 H VAL 39 15.956 -3.740 5.218 264 HA VAL 39 HA VAL 39 17.751 -3.644 2.881 265 HB VAL 39 HB VAL 39 14.959 -4.793 2.986 266 HG11 VAL 39 1HG1 VAL 39 17.015 -4.517 0.826 267 HG12 VAL 39 2HG1 VAL 39 15.817 -5.812 0.773 268 HG13 VAL 39 3HG1 VAL 39 15.296 -4.127 0.785 269 HG21 VAL 39 1HG2 VAL 39 16.005 -6.477 4.059 270 HG22 VAL 39 2HG2 VAL 39 16.566 -6.895 2.440 271 HG23 VAL 39 3HG2 VAL 39 17.605 -5.968 3.522 272 HA PRO 40 HA PRO 40 15.862 0.353 2.265 273 HB2 PRO 40 1HB PRO 40 17.254 0.958 0.014 274 HB3 PRO 40 2HB PRO 40 17.950 1.074 1.634 275 HG2 PRO 40 1HG PRO 40 18.233 -1.106 -0.398 276 HG3 PRO 40 2HG PRO 40 19.471 -0.378 0.641 277 HD2 PRO 40 1HD PRO 40 18.311 -2.759 1.206 278 HD3 PRO 40 2HD PRO 40 18.856 -1.639 2.471 279 H ALA 41 H ALA 41 14.201 1.108 1.029 280 HA ALA 41 HA ALA 41 13.289 -0.638 -1.161 281 HB1 ALA 41 1HB ALA 41 11.308 -0.674 -0.168 282 HB2 ALA 41 2HB ALA 41 11.937 0.343 1.130 283 HB3 ALA 41 3HB ALA 41 11.203 1.082 -0.293 284 H ASP 42 H ASP 42 12.171 0.407 -2.951 285 HA ASP 42 HA ASP 42 13.379 3.011 -3.567 286 HB2 ASP 42 1HB ASP 42 13.978 1.399 -5.207 287 HB3 ASP 42 2HB ASP 42 12.328 0.791 -5.317 288 H GLY 43 H GLY 43 10.307 1.263 -3.586 289 HA2 GLY 43 1HA GLY 43 8.871 3.744 -3.226 290 HA3 GLY 43 2HA GLY 43 8.579 2.972 -4.778 291 H TYR 44 H TYR 44 6.435 3.325 -3.249 292 HA TYR 44 HA TYR 44 5.828 0.603 -2.325 293 HB2 TYR 44 1HB TYR 44 4.826 3.085 -0.925 294 HB3 TYR 44 2HB TYR 44 4.628 1.413 -0.412 295 HD1 TYR 44 2HD TYR 44 7.294 3.928 -1.117 296 HD2 TYR 44 1HD TYR 44 6.103 0.525 1.142 297 HE1 TYR 44 2HE TYR 44 9.352 4.101 0.218 298 HE2 TYR 44 1HE TYR 44 8.158 0.689 2.484 299 HH TYR 44 HH TYR 44 9.928 1.991 2.989 300 H ILE 45 H ILE 45 3.700 -0.082 -2.641 301 HA ILE 45 HA ILE 45 2.018 1.705 -4.270 302 HB ILE 45 HB ILE 45 2.495 -1.245 -4.693 303 HG12 ILE 45 1HG1 ILE 45 2.878 1.012 -6.655 304 HG13 ILE 45 2HG1 ILE 45 4.163 0.488 -5.571 305 HG21 ILE 45 1HG2 ILE 45 0.919 -0.086 -6.755 306 HG22 ILE 45 2HG2 ILE 45 0.503 -1.399 -5.654 307 HG23 ILE 45 3HG2 ILE 45 0.159 0.271 -5.205 308 HD11 ILE 45 1HD1 ILE 45 2.765 -1.402 -7.433 309 HD12 ILE 45 2HD1 ILE 45 4.180 -0.463 -7.911 310 HD13 ILE 45 3HD1 ILE 45 4.296 -1.623 -6.588 311 H LEU 46 H LEU 46 0.002 1.959 -3.558 312 HA LEU 46 HA LEU 46 -0.908 0.292 -1.335 313 HB2 LEU 46 1HB LEU 46 -1.520 3.019 -2.325 314 HB3 LEU 46 2HB LEU 46 -2.815 2.147 -1.508 315 HG LEU 46 HG LEU 46 -0.104 2.673 -0.296 316 HD11 LEU 46 1HD1 LEU 46 -1.391 4.327 1.100 317 HD12 LEU 46 2HD1 LEU 46 -2.691 4.193 -0.084 318 HD13 LEU 46 3HD1 LEU 46 -1.109 4.797 -0.577 319 HD21 LEU 46 1HD2 LEU 46 -1.294 2.097 1.800 320 HD22 LEU 46 2HD2 LEU 46 -1.187 0.752 0.665 321 HD23 LEU 46 3HD2 LEU 46 -2.700 1.642 0.839 322 H GLU 47 H GLU 47 -2.981 -0.664 -1.300 323 HA GLU 47 HA GLU 47 -4.296 -0.925 -3.918 324 HB2 GLU 47 1HB GLU 47 -3.227 -3.058 -2.143 325 HB3 GLU 47 2HB GLU 47 -4.764 -3.369 -2.938 326 HG2 GLU 47 1HG GLU 47 -3.454 -2.566 -5.067 327 HG3 GLU 47 2HG GLU 47 -2.053 -3.041 -4.109 328 H LEU 48 H LEU 48 -6.526 -1.205 -3.882 329 HA LEU 48 HA LEU 48 -7.946 -1.455 -1.387 330 HB2 LEU 48 1HB LEU 48 -7.485 0.890 -1.288 331 HB3 LEU 48 2HB LEU 48 -7.995 1.111 -2.961 332 HG LEU 48 HG LEU 48 -10.312 0.346 -2.127 333 HD11 LEU 48 1HD1 LEU 48 -10.697 0.980 0.261 334 HD12 LEU 48 2HD1 LEU 48 -8.947 1.024 0.469 335 HD13 LEU 48 3HD1 LEU 48 -9.744 -0.486 0.031 336 HD21 LEU 48 1HD2 LEU 48 -10.892 2.623 -1.513 337 HD22 LEU 48 2HD2 LEU 48 -9.757 2.621 -2.864 338 HD23 LEU 48 3HD2 LEU 48 -9.191 3.002 -1.237 339 H ASP 49 H ASP 49 -9.944 -2.298 -1.674 340 HA ASP 49 HA ASP 49 -10.685 -3.055 -4.368 341 HB2 ASP 49 1HB ASP 49 -12.236 -4.551 -3.371 342 HB3 ASP 49 2HB ASP 49 -10.801 -4.597 -2.351 343 H ASP 50 H ASP 50 -13.206 -3.039 -4.739 344 HA ASP 50 HA ASP 50 -13.968 -0.236 -4.675 345 HB2 ASP 50 1HB ASP 50 -15.834 -0.992 -6.162 346 HB3 ASP 50 2HB ASP 50 -14.229 -1.357 -6.789 347 H GLY 51 H GLY 51 -13.987 -1.563 -2.160 348 HA2 GLY 51 1HA GLY 51 -15.315 -1.788 -0.302 349 HA3 GLY 51 2HA GLY 51 -16.445 -0.728 -1.130 350 H ASN 52 H ASN 52 -15.571 -3.725 -2.618 351 HA ASN 52 HA ASN 52 -18.290 -4.711 -2.119 352 HB2 ASN 52 1HB ASN 52 -17.792 -4.505 -4.462 353 HB3 ASN 52 2HB ASN 52 -16.275 -5.379 -4.270 354 HD21 ASN 52 1HD2 ASN 52 -16.439 -7.264 -5.233 355 HD22 ASN 52 2HD2 ASN 52 -17.784 -8.345 -5.135 356 H GLY 53 H GLY 53 -14.906 -5.504 -1.742 357 HA2 GLY 53 1HA GLY 53 -14.142 -6.925 0.008 358 HA3 GLY 53 2HA GLY 53 -15.691 -7.755 -0.029 359 H GLY 54 H GLY 54 -13.737 -7.005 -2.860 360 HA2 GLY 54 1HA GLY 54 -13.286 -9.907 -3.194 361 HA3 GLY 54 2HA GLY 54 -13.662 -8.833 -4.533 362 H GLN 55 H GLN 55 -11.952 -8.484 -5.768 363 HA GLN 55 HA GLN 55 -9.279 -8.844 -4.763 364 HB2 GLN 55 1HB GLN 55 -8.559 -8.591 -7.015 365 HB3 GLN 55 2HB GLN 55 -10.054 -9.515 -7.069 366 HG2 GLN 55 1HG GLN 55 -11.292 -7.590 -7.771 367 HG3 GLN 55 2HG GLN 55 -9.887 -6.550 -7.542 368 HE21 GLN 55 1HE2 GLN 55 -10.441 -5.996 -9.800 369 HE22 GLN 55 2HE2 GLN 55 -9.756 -6.956 -11.062 370 H PHE 56 H PHE 56 -7.577 -7.173 -5.357 371 HA PHE 56 HA PHE 56 -8.589 -4.480 -4.717 372 HB2 PHE 56 1HB PHE 56 -5.865 -5.540 -3.960 373 HB3 PHE 56 2HB PHE 56 -6.643 -4.065 -3.396 374 HD1 PHE 56 1HD PHE 56 -7.268 -7.743 -3.462 375 HD2 PHE 56 2HD PHE 56 -7.574 -4.088 -1.302 376 HE1 PHE 56 1HE PHE 56 -8.171 -8.966 -1.527 377 HE2 PHE 56 2HE PHE 56 -8.476 -5.306 0.637 378 HZ PHE 56 HZ PHE 56 -8.774 -7.748 0.526 379 H ARG 57 H ARG 57 -7.627 -2.715 -5.733 380 HA ARG 57 HA ARG 57 -5.906 -3.381 -8.031 381 HB2 ARG 57 1HB ARG 57 -6.967 -1.441 -9.189 382 HB3 ARG 57 2HB ARG 57 -8.077 -2.764 -8.853 383 HG2 ARG 57 1HG ARG 57 -9.339 -0.948 -8.254 384 HG3 ARG 57 2HG ARG 57 -8.618 -1.391 -6.705 385 HD2 ARG 57 1HD ARG 57 -6.955 0.325 -6.922 386 HD3 ARG 57 2HD ARG 57 -7.477 0.685 -8.567 387 HE ARG 57 HE ARG 57 -8.639 1.656 -6.147 388 HH11 ARG 57 2HH1 ARG 57 -9.332 0.777 -9.444 389 HH12 ARG 57 1HH1 ARG 57 -10.712 1.817 -9.568 390 HH21 ARG 57 2HH2 ARG 57 -10.454 3.029 -6.299 391 HH22 ARG 57 1HH2 ARG 57 -11.349 3.098 -7.779 392 H GLU 58 H GLU 58 -4.842 -1.247 -8.889 393 HA GLU 58 HA GLU 58 -3.256 -0.232 -6.703 394 HB2 GLU 58 1HB GLU 58 -3.154 0.075 -9.692 395 HB3 GLU 58 2HB GLU 58 -2.148 1.066 -8.645 396 HG2 GLU 58 1HG GLU 58 -0.846 -0.696 -7.988 397 HG3 GLU 58 2HG GLU 58 -2.116 -1.884 -8.277 398 H VAL 59 H VAL 59 -3.415 1.701 -5.743 399 HA VAL 59 HA VAL 59 -5.291 3.662 -6.896 400 HB VAL 59 HB VAL 59 -5.810 4.392 -4.602 401 HG11 VAL 59 1HG1 VAL 59 -7.516 2.955 -4.538 402 HG12 VAL 59 2HG1 VAL 59 -6.760 2.167 -5.925 403 HG13 VAL 59 3HG1 VAL 59 -6.448 1.573 -4.293 404 HG21 VAL 59 1HG2 VAL 59 -3.752 3.724 -3.501 405 HG22 VAL 59 2HG2 VAL 59 -5.137 2.986 -2.698 406 HG23 VAL 59 3HG2 VAL 59 -4.130 2.024 -3.780 407 H TYR 60 H TYR 60 -2.379 3.214 -4.934 408 HA TYR 60 HA TYR 60 -1.461 5.856 -5.839 409 HB2 TYR 60 1HB TYR 60 -1.843 6.503 -3.688 410 HB3 TYR 60 2HB TYR 60 -1.755 4.859 -3.064 411 HD1 TYR 60 1HD TYR 60 0.572 3.791 -2.879 412 HD2 TYR 60 2HD TYR 60 -0.042 7.967 -3.417 413 HE1 TYR 60 1HE TYR 60 2.841 4.227 -2.038 414 HE2 TYR 60 2HE TYR 60 2.227 8.414 -2.579 415 HH TYR 60 HH TYR 60 3.966 6.441 -0.839 416 H VAL 61 H VAL 61 0.753 6.061 -6.183 417 HA VAL 61 HA VAL 61 2.520 3.831 -5.642 418 HB VAL 61 HB VAL 61 2.008 4.680 -8.496 419 HG11 VAL 61 1HG1 VAL 61 3.921 2.690 -7.289 420 HG12 VAL 61 2HG1 VAL 61 3.536 2.766 -9.010 421 HG13 VAL 61 3HG1 VAL 61 4.316 4.136 -8.218 422 HG21 VAL 61 1HG2 VAL 61 1.211 2.233 -6.944 423 HG22 VAL 61 2HG2 VAL 61 0.187 3.321 -7.881 424 HG23 VAL 61 3HG2 VAL 61 1.310 2.239 -8.705 425 H GLY 62 H GLY 62 4.428 4.632 -5.063 426 HA2 GLY 62 1HA GLY 62 5.933 6.508 -6.450 427 HA3 GLY 62 2HA GLY 62 5.014 7.402 -5.249 428 H LYS 63 H LYS 63 6.861 8.016 -4.112 429 HA LYS 63 HA LYS 63 8.133 5.831 -2.598 430 HB2 LYS 63 1HB LYS 63 10.174 7.297 -2.500 431 HB3 LYS 63 2HB LYS 63 9.799 6.656 -4.094 432 HG2 LYS 63 1HG LYS 63 8.748 9.339 -3.366 433 HG3 LYS 63 2HG LYS 63 10.464 9.174 -3.748 434 HD2 LYS 63 1HD LYS 63 9.724 7.976 -5.863 435 HD3 LYS 63 2HD LYS 63 8.095 8.551 -5.497 436 HE2 LYS 63 1HE LYS 63 10.405 10.455 -5.593 437 HE3 LYS 63 2HE LYS 63 9.603 9.942 -7.077 438 HZ1 LYS 63 1HZ LYS 63 8.579 11.939 -6.364 439 HZ2 LYS 63 2HZ LYS 63 8.393 11.375 -4.780 440 HZ3 LYS 63 3HZ LYS 63 7.482 10.694 -6.033 441 H GLU 64 H GLU 64 5.824 7.743 -2.100 442 HA GLU 64 HA GLU 64 6.717 9.477 0.003 443 HB2 GLU 64 1HB GLU 64 4.106 8.762 -1.227 444 HB3 GLU 64 2HB GLU 64 4.075 9.407 0.409 445 HG2 GLU 64 1HG GLU 64 5.655 11.231 -0.672 446 HG3 GLU 64 2HG GLU 64 4.821 10.723 -2.139 447 H THR 65 H THR 65 5.426 9.320 2.166 448 HA THR 65 HA THR 65 5.723 6.557 3.149 449 HB THR 65 HB THR 65 7.349 8.077 4.152 450 HG1 THR 65 1HG THR 65 6.981 7.372 6.184 451 HG21 THR 65 1HG2 THR 65 5.072 9.600 5.393 452 HG22 THR 65 2HG2 THR 65 5.816 10.109 3.877 453 HG23 THR 65 3HG2 THR 65 6.783 10.021 5.348 454 H MET 66 H MET 66 3.534 9.105 2.643 455 HA MET 66 HA MET 66 1.428 7.592 3.956 456 HB2 MET 66 1HB MET 66 1.985 9.020 5.763 457 HB3 MET 66 2HB MET 66 2.172 10.413 4.706 458 HG2 MET 66 1HG MET 66 -0.488 9.109 4.822 459 HG3 MET 66 2HG MET 66 0.032 10.059 6.212 460 HE1 MET 66 1HE MET 66 1.031 13.144 5.231 461 HE2 MET 66 2HE MET 66 -0.680 13.388 5.583 462 HE3 MET 66 3HE MET 66 0.242 12.178 6.478 463 H CYS 67 H CYS 67 -0.537 7.800 2.973 464 HA CYS 67 HA CYS 67 -0.953 9.924 1.024 465 HB2 CYS 67 1HB CYS 67 0.156 7.928 -0.117 466 HB3 CYS 67 2HB CYS 67 -1.335 7.049 0.199 467 HG CYS 67 HG CYS 67 -1.324 9.981 -1.550 468 H THR 68 H THR 68 -2.966 10.663 1.156 469 HA THR 68 HA THR 68 -4.976 8.986 2.501 470 HB THR 68 HB THR 68 -4.399 11.158 3.595 471 HG1 THR 68 1HG THR 68 -6.764 11.847 3.560 472 HG21 THR 68 1HG2 THR 68 -4.005 12.496 1.593 473 HG22 THR 68 2HG2 THR 68 -5.264 13.229 2.588 474 HG23 THR 68 3HG2 THR 68 -5.699 12.331 1.134 475 H VAL 69 H VAL 69 -7.117 8.932 1.706 476 HA VAL 69 HA VAL 69 -7.284 9.393 -1.186 477 HB VAL 69 HB VAL 69 -9.251 7.824 0.469 478 HG11 VAL 69 1HG1 VAL 69 -9.619 6.687 -1.726 479 HG12 VAL 69 2HG1 VAL 69 -10.070 8.393 -1.703 480 HG13 VAL 69 3HG1 VAL 69 -8.560 7.889 -2.463 481 HG21 VAL 69 1HG2 VAL 69 -6.733 6.825 -0.858 482 HG22 VAL 69 2HG2 VAL 69 -7.071 6.850 0.873 483 HG23 VAL 69 3HG2 VAL 69 -8.004 5.800 -0.193 484 H ASP 70 H ASP 70 -9.119 10.383 -2.119 485 HA ASP 70 HA ASP 70 -10.707 12.028 -0.261 486 HB2 ASP 70 1HB ASP 70 -9.422 13.683 -1.207 487 HB3 ASP 70 2HB ASP 70 -9.200 12.797 -2.714 488 H GLY 71 H GLY 71 -12.873 12.201 -0.651 489 HA2 GLY 71 1HA GLY 71 -14.886 11.957 -1.800 490 HA3 GLY 71 2HA GLY 71 -14.001 11.275 -3.156 491 H LEU 72 H LEU 72 -13.054 9.777 -0.323 492 HA LEU 72 HA LEU 72 -13.945 7.254 -1.021 493 HB2 LEU 72 1HB LEU 72 -13.204 8.425 1.645 494 HB3 LEU 72 2HB LEU 72 -13.608 6.721 1.443 495 HG LEU 72 HG LEU 72 -11.285 8.185 0.194 496 HD11 LEU 72 1HD1 LEU 72 -10.657 7.770 2.377 497 HD12 LEU 72 2HD1 LEU 72 -10.087 6.324 1.545 498 HD13 LEU 72 3HD1 LEU 72 -11.586 6.274 2.472 499 HD21 LEU 72 1HD2 LEU 72 -12.470 5.495 -0.306 500 HD22 LEU 72 2HD2 LEU 72 -10.719 5.693 -0.388 501 HD23 LEU 72 3HD2 LEU 72 -11.766 6.646 -1.441 502 H HIS 73 H HIS 73 -15.843 6.248 -0.946 503 HA HIS 73 HA HIS 73 -18.229 7.529 -0.273 504 HB2 HIS 73 1HB HIS 73 -17.602 4.586 -0.556 505 HB3 HIS 73 2HB HIS 73 -19.234 5.225 -0.381 506 HD1 HIS 73 1HD HIS 73 -19.827 4.281 -2.738 507 HD2 HIS 73 2HD HIS 73 -16.843 7.171 -2.733 508 HE1 HIS 73 1HE HIS 73 -19.571 4.986 -5.138 509 HE2 HIS 73 2HE HIS 73 -17.701 6.674 -5.122 510 H PHE 74 H PHE 74 -19.848 6.477 1.327 511 HA PHE 74 HA PHE 74 -18.488 5.972 3.890 512 HB2 PHE 74 1HB PHE 74 -20.661 7.208 4.795 513 HB3 PHE 74 2HB PHE 74 -19.215 8.101 4.335 514 HD1 PHE 74 2HD PHE 74 -22.167 6.670 2.547 515 HD2 PHE 74 1HD PHE 74 -19.652 10.040 3.210 516 HE1 PHE 74 2HE PHE 74 -23.491 7.972 0.932 517 HE2 PHE 74 1HE PHE 74 -20.973 11.347 1.596 518 HZ PHE 74 HZ PHE 74 -22.894 10.313 0.455 519 H ASN 75 H ASN 75 -19.856 4.884 5.502 520 HA ASN 75 HA ASN 75 -21.186 3.164 6.168 521 HB2 ASN 75 1HB ASN 75 -22.803 4.447 4.014 522 HB3 ASN 75 2HB ASN 75 -23.319 2.872 4.608 523 HD21 ASN 75 1HD2 ASN 75 -23.740 6.078 4.978 524 HD22 ASN 75 2HD2 ASN 75 -24.286 6.124 6.617 525 H SER 76 H SER 76 -19.007 2.707 4.297 526 HA SER 76 HA SER 76 -19.844 0.070 3.358 527 HB2 SER 76 1HB SER 76 -18.645 2.225 1.625 528 HB3 SER 76 2HB SER 76 -18.485 0.516 1.219 529 HG SER 76 HG SER 76 -20.315 1.476 0.228 530 H THR 77 H THR 77 -18.356 -1.462 3.726 531 HA THR 77 HA THR 77 -16.000 -0.800 5.197 532 HB THR 77 HB THR 77 -16.797 -3.471 4.024 533 HG1 THR 77 1HG THR 77 -18.150 -2.207 5.731 534 HG21 THR 77 1HG2 THR 77 -15.260 -4.457 5.541 535 HG22 THR 77 2HG2 THR 77 -14.998 -2.927 6.380 536 HG23 THR 77 3HG2 THR 77 -14.388 -3.150 4.740 537 H TYR 78 H TYR 78 -14.004 -0.432 4.479 538 HA TYR 78 HA TYR 78 -13.374 -1.150 1.690 539 HB2 TYR 78 1HB TYR 78 -12.913 1.347 3.236 540 HB3 TYR 78 2HB TYR 78 -11.644 0.849 2.122 541 HD1 TYR 78 2HD TYR 78 -12.468 0.237 -0.301 542 HD2 TYR 78 1HD TYR 78 -14.649 2.653 2.439 543 HE1 TYR 78 2HE TYR 78 -13.720 1.222 -2.175 544 HE2 TYR 78 1HE TYR 78 -15.908 3.644 0.573 545 HH TYR 78 HH TYR 78 -16.432 3.382 -1.639 546 H ASN 79 H ASN 79 -11.649 -2.402 1.361 547 HA ASN 79 HA ASN 79 -9.850 -2.891 3.642 548 HB2 ASN 79 1HB ASN 79 -10.276 -4.781 1.332 549 HB3 ASN 79 2HB ASN 79 -9.566 -5.127 2.906 550 HD21 ASN 79 1HD2 ASN 79 -10.825 -6.086 4.323 551 HD22 ASN 79 2HD2 ASN 79 -12.553 -6.101 4.304 552 H ALA 80 H ALA 80 -8.016 -1.797 3.377 553 HA ALA 80 HA ALA 80 -6.826 -1.685 0.683 554 HB1 ALA 80 1HB ALA 80 -5.502 0.252 2.009 555 HB2 ALA 80 2HB ALA 80 -6.983 0.526 1.089 556 HB3 ALA 80 3HB ALA 80 -7.058 0.309 2.838 557 H ARG 81 H ARG 81 -4.406 -1.554 0.689 558 HA ARG 81 HA ARG 81 -2.968 -2.596 2.930 559 HB2 ARG 81 1HB ARG 81 -2.289 -4.719 1.925 560 HB3 ARG 81 2HB ARG 81 -4.031 -4.665 2.159 561 HG2 ARG 81 1HG ARG 81 -4.200 -3.970 -0.267 562 HG3 ARG 81 2HG ARG 81 -2.495 -4.402 -0.407 563 HD2 ARG 81 1HD ARG 81 -3.148 -6.663 0.550 564 HD3 ARG 81 2HD ARG 81 -4.821 -6.183 0.270 565 HE ARG 81 HE ARG 81 -3.079 -5.973 -2.028 566 HH11 ARG 81 2HH1 ARG 81 -5.314 -7.954 -0.240 567 HH12 ARG 81 1HH1 ARG 81 -5.702 -8.965 -1.592 568 HH21 ARG 81 2HH2 ARG 81 -3.581 -7.297 -3.816 569 HH22 ARG 81 1HH2 ARG 81 -4.715 -8.592 -3.625 570 H VAL 82 H VAL 82 -0.914 -1.936 2.807 571 HA VAL 82 HA VAL 82 0.025 -0.854 0.245 572 HB VAL 82 HB VAL 82 -0.030 0.625 2.289 573 HG11 VAL 82 1HG1 VAL 82 0.891 -0.065 4.186 574 HG12 VAL 82 2HG1 VAL 82 1.396 -1.563 3.399 575 HG13 VAL 82 3HG1 VAL 82 2.465 -0.159 3.396 576 HG21 VAL 82 1HG2 VAL 82 1.453 0.888 0.218 577 HG22 VAL 82 2HG2 VAL 82 1.903 1.789 1.666 578 HG23 VAL 82 3HG2 VAL 82 2.766 0.310 1.244 579 H LYS 83 H LYS 83 2.288 -1.144 -0.329 580 HA LYS 83 HA LYS 83 3.743 -3.309 0.922 581 HB2 LYS 83 1HB LYS 83 3.852 -4.736 -1.003 582 HB3 LYS 83 2HB LYS 83 2.156 -4.436 -0.648 583 HG2 LYS 83 1HG LYS 83 1.837 -3.180 -2.531 584 HG3 LYS 83 2HG LYS 83 3.528 -2.680 -2.617 585 HD2 LYS 83 1HD LYS 83 4.145 -4.967 -3.294 586 HD3 LYS 83 2HD LYS 83 2.440 -5.422 -3.258 587 HE2 LYS 83 1HE LYS 83 2.028 -3.602 -4.942 588 HE3 LYS 83 2HE LYS 83 3.777 -3.428 -5.078 589 HZ1 LYS 83 1HZ LYS 83 3.741 -5.057 -6.556 590 HZ2 LYS 83 2HZ LYS 83 2.087 -5.319 -6.316 591 HZ3 LYS 83 3HZ LYS 83 3.219 -6.129 -5.355 592 H ALA 84 H ALA 84 5.875 -3.667 -0.187 593 HA ALA 84 HA ALA 84 6.845 -1.119 -1.307 594 HB1 ALA 84 1HB ALA 84 8.317 -3.155 0.361 595 HB2 ALA 84 2HB ALA 84 9.046 -1.720 -0.362 596 HB3 ALA 84 3HB ALA 84 7.795 -1.549 0.870 597 H PHE 85 H PHE 85 8.586 -1.241 -2.862 598 HA PHE 85 HA PHE 85 9.183 -3.766 -4.111 599 HB2 PHE 85 1HB PHE 85 8.136 -3.447 -6.184 600 HB3 PHE 85 2HB PHE 85 6.906 -2.962 -5.022 601 HD1 PHE 85 1HD PHE 85 9.445 -1.696 -7.384 602 HD2 PHE 85 2HD PHE 85 6.043 -0.772 -5.000 603 HE1 PHE 85 1HE PHE 85 9.260 0.489 -8.501 604 HE2 PHE 85 2HE PHE 85 5.851 1.414 -6.113 605 HZ PHE 85 HZ PHE 85 7.460 2.046 -7.867 606 H ASN 86 H ASN 86 11.019 -3.692 -5.365 607 HA ASN 86 HA ASN 86 12.165 -1.140 -6.124 608 HB2 ASN 86 1HB ASN 86 14.332 -1.669 -4.962 609 HB3 ASN 86 2HB ASN 86 13.003 -1.262 -3.880 610 HD21 ASN 86 1HD2 ASN 86 14.357 -2.339 -2.290 611 HD22 ASN 86 2HD2 ASN 86 14.261 -4.058 -2.135 612 H LYS 87 H LYS 87 14.568 -1.704 -6.963 613 HA LYS 87 HA LYS 87 14.426 -2.932 -9.345 614 HB2 LYS 87 1HB LYS 87 16.688 -2.702 -7.400 615 HB3 LYS 87 2HB LYS 87 16.921 -3.625 -8.879 616 HG2 LYS 87 1HG LYS 87 16.517 -1.726 -10.235 617 HG3 LYS 87 2HG LYS 87 15.930 -0.787 -8.860 618 HD2 LYS 87 1HD LYS 87 18.089 0.015 -9.142 619 HD3 LYS 87 2HD LYS 87 18.290 -1.201 -7.878 620 HE2 LYS 87 1HE LYS 87 20.050 -1.584 -9.389 621 HE3 LYS 87 2HE LYS 87 18.853 -2.827 -9.751 622 HZ1 LYS 87 1HZ LYS 87 18.637 -2.064 -11.808 623 HZ2 LYS 87 2HZ LYS 87 19.971 -1.062 -11.528 624 HZ3 LYS 87 3HZ LYS 87 18.405 -0.472 -11.285 625 H THR 88 H THR 88 15.134 -4.587 -6.290 626 HA THR 88 HA THR 88 15.676 -7.126 -7.174 627 HB THR 88 HB THR 88 13.974 -6.450 -4.766 628 HG1 THR 88 1HG THR 88 16.750 -6.945 -4.688 629 HG21 THR 88 1HG2 THR 88 15.504 -8.621 -4.119 630 HG22 THR 88 2HG2 THR 88 15.120 -8.938 -5.811 631 HG23 THR 88 3HG2 THR 88 13.823 -8.691 -4.644 632 H GLY 89 H GLY 89 12.447 -6.359 -5.886 633 HA2 GLY 89 1HA GLY 89 11.085 -7.290 -8.227 634 HA3 GLY 89 2HA GLY 89 11.094 -8.499 -6.951 635 H VAL 90 H VAL 90 9.501 -8.429 -5.507 636 HA VAL 90 HA VAL 90 8.307 -5.935 -4.687 637 HB VAL 90 HB VAL 90 5.964 -7.069 -5.257 638 HG11 VAL 90 1HG1 VAL 90 6.699 -4.808 -5.878 639 HG12 VAL 90 2HG1 VAL 90 7.567 -5.481 -7.259 640 HG13 VAL 90 3HG1 VAL 90 5.808 -5.596 -7.180 641 HG21 VAL 90 1HG2 VAL 90 6.031 -8.052 -7.516 642 HG22 VAL 90 2HG2 VAL 90 7.793 -8.017 -7.462 643 HG23 VAL 90 3HG2 VAL 90 6.897 -9.032 -6.332 644 H SER 91 H SER 91 7.052 -6.123 -2.810 645 HA SER 91 HA SER 91 7.346 -8.707 -1.436 646 HB2 SER 91 1HB SER 91 7.450 -5.873 -0.535 647 HB3 SER 91 2HB SER 91 6.761 -7.047 0.586 648 HG SER 91 HG SER 91 8.940 -6.990 0.965 649 HA PRO 92 HA PRO 92 3.019 -9.333 -1.088 650 HB2 PRO 92 1HB PRO 92 2.751 -10.257 1.450 651 HB3 PRO 92 2HB PRO 92 3.481 -11.210 0.153 652 HG2 PRO 92 1HG PRO 92 4.810 -9.617 2.311 653 HG3 PRO 92 2HG PRO 92 5.219 -11.229 1.698 654 HD2 PRO 92 1HD PRO 92 6.562 -9.002 0.946 655 HD3 PRO 92 2HD PRO 92 6.329 -10.388 -0.138 656 H TYR 93 H TYR 93 1.121 -8.369 -0.432 657 HA TYR 93 HA TYR 93 1.227 -5.746 0.544 658 HB2 TYR 93 1HB TYR 93 -1.080 -7.681 0.302 659 HB3 TYR 93 2HB TYR 93 -1.277 -5.994 0.765 660 HD1 TYR 93 1HD TYR 93 -0.133 -4.273 -0.907 661 HD2 TYR 93 2HD TYR 93 -1.322 -8.229 -1.926 662 HE1 TYR 93 1HE TYR 93 -0.223 -3.628 -3.279 663 HE2 TYR 93 2HE TYR 93 -1.415 -7.595 -4.301 664 HH TYR 93 HH TYR 93 -0.124 -4.658 -5.472 665 H SER 94 H SER 94 0.435 -4.844 2.502 666 HA SER 94 HA SER 94 1.228 -6.315 4.824 667 HB2 SER 94 1HB SER 94 1.705 -4.059 5.059 668 HB3 SER 94 2HB SER 94 0.197 -3.554 4.298 669 HG SER 94 HG SER 94 -0.900 -4.144 6.175 670 H LYS 95 H LYS 95 -0.293 -6.122 6.829 671 HA LYS 95 HA LYS 95 -2.407 -7.891 6.493 672 HB2 LYS 95 1HB LYS 95 -1.242 -7.336 8.648 673 HB3 LYS 95 2HB LYS 95 -2.171 -5.843 8.702 674 HG2 LYS 95 1HG LYS 95 -3.512 -7.124 9.994 675 HG3 LYS 95 2HG LYS 95 -4.190 -7.549 8.420 676 HD2 LYS 95 1HD LYS 95 -1.909 -9.142 9.500 677 HD3 LYS 95 2HD LYS 95 -3.530 -9.415 10.145 678 HE2 LYS 95 1HE LYS 95 -3.594 -10.902 8.430 679 HE3 LYS 95 2HE LYS 95 -4.117 -9.468 7.549 680 HZ1 LYS 95 1HZ LYS 95 -1.752 -11.028 7.220 681 HZ2 LYS 95 2HZ LYS 95 -1.387 -9.391 7.433 682 HZ3 LYS 95 3HZ LYS 95 -2.427 -9.870 6.188 683 H THR 96 H THR 96 -4.378 -7.679 5.678 684 HA THR 96 HA THR 96 -5.435 -5.571 4.378 685 HB THR 96 HB THR 96 -7.113 -7.426 6.076 686 HG1 THR 96 1HG THR 96 -6.613 -8.942 4.689 687 HG21 THR 96 1HG2 THR 96 -8.811 -6.252 5.222 688 HG22 THR 96 2HG2 THR 96 -8.371 -6.911 3.647 689 HG23 THR 96 3HG2 THR 96 -7.734 -5.348 4.158 690 H LEU 97 H LEU 97 -5.925 -3.551 4.898 691 HA LEU 97 HA LEU 97 -6.522 -2.912 7.700 692 HB2 LEU 97 1HB LEU 97 -4.631 -1.740 6.682 693 HB3 LEU 97 2HB LEU 97 -5.695 -1.113 5.426 694 HG LEU 97 HG LEU 97 -6.980 0.007 7.345 695 HD11 LEU 97 1HD1 LEU 97 -5.393 0.554 9.263 696 HD12 LEU 97 2HD1 LEU 97 -4.463 -0.849 8.738 697 HD13 LEU 97 3HD1 LEU 97 -6.136 -1.045 9.259 698 HD21 LEU 97 1HD2 LEU 97 -5.865 1.923 6.890 699 HD22 LEU 97 2HD2 LEU 97 -5.111 0.910 5.658 700 HD23 LEU 97 3HD2 LEU 97 -4.281 1.205 7.187 701 H VAL 98 H VAL 98 -8.627 -2.870 8.130 702 HA VAL 98 HA VAL 98 -10.557 -2.171 6.076 703 HB VAL 98 HB VAL 98 -11.072 -2.885 8.964 704 HG11 VAL 98 1HG1 VAL 98 -13.094 -2.086 8.356 705 HG12 VAL 98 2HG1 VAL 98 -12.777 -2.291 6.632 706 HG13 VAL 98 3HG1 VAL 98 -13.257 -3.676 7.612 707 HG21 VAL 98 1HG2 VAL 98 -10.714 -4.590 6.526 708 HG22 VAL 98 2HG2 VAL 98 -10.006 -4.782 8.129 709 HG23 VAL 98 3HG2 VAL 98 -11.716 -5.129 7.873 710 H LEU 99 H LEU 99 -11.580 -0.274 5.888 711 HA LEU 99 HA LEU 99 -11.154 1.730 8.006 712 HB2 LEU 99 1HB LEU 99 -11.578 2.238 5.067 713 HB3 LEU 99 2HB LEU 99 -11.223 3.441 6.305 714 HG LEU 99 HG LEU 99 -9.038 1.980 6.595 715 HD11 LEU 99 1HD1 LEU 99 -9.421 1.648 3.654 716 HD12 LEU 99 2HD1 LEU 99 -10.029 0.419 4.762 717 HD13 LEU 99 3HD1 LEU 99 -8.311 0.818 4.745 718 HD21 LEU 99 1HD2 LEU 99 -9.470 3.948 4.350 719 HD22 LEU 99 2HD2 LEU 99 -7.910 3.496 5.039 720 HD23 LEU 99 3HD2 LEU 99 -9.098 4.348 6.027 721 H GLN 100 H GLN 100 -13.098 0.967 9.036 722 HA GLN 100 HA GLN 100 -15.616 0.898 7.800 723 HB2 GLN 100 1HB GLN 100 -14.672 1.122 10.629 724 HB3 GLN 100 2HB GLN 100 -16.377 1.370 10.274 725 HG2 GLN 100 1HG GLN 100 -14.729 -1.099 9.854 726 HG3 GLN 100 2HG GLN 100 -16.159 -0.890 10.863 727 HE21 GLN 100 1HE2 GLN 100 -14.976 -1.198 7.594 728 HE22 GLN 100 2HE2 GLN 100 -16.490 -1.621 6.877 729 H THR 101 H THR 101 -16.131 2.654 6.579 730 HA THR 101 HA THR 101 -15.737 5.342 7.459 731 HB THR 101 HB THR 101 -17.222 5.909 5.486 732 HG1 THR 101 1HG THR 101 -16.940 3.185 4.771 733 HG21 THR 101 1HG2 THR 101 -14.574 5.134 5.593 734 HG22 THR 101 2HG2 THR 101 -15.363 5.940 4.237 735 HG23 THR 101 3HG2 THR 101 -15.224 4.182 4.259 736 H SER 102 H SER 102 -17.098 6.707 8.476 737 HA SER 102 HA SER 102 -19.447 5.596 9.722 738 HB2 SER 102 1HB SER 102 -18.118 8.305 9.875 739 HB3 SER 102 2HB SER 102 -19.607 7.921 10.738 740 HG SER 102 HG SER 102 -17.199 6.441 10.983 741 H GLU 103 H GLU 103 -21.510 6.867 9.752 742 HA GLU 103 HA GLU 103 -22.668 6.983 7.248 743 HB2 GLU 103 1HB GLU 103 -24.534 8.152 8.306 744 HB3 GLU 103 2HB GLU 103 -23.956 6.844 9.329 745 HG2 GLU 103 1HG GLU 103 -22.665 8.517 10.634 746 HG3 GLU 103 2HG GLU 103 -23.426 9.784 9.674 747 H GLY 104 H GLY 104 -23.148 8.600 5.784 748 HA2 GLY 104 1HA GLY 104 -21.370 10.914 5.902 749 HA3 GLY 104 2HA GLY 104 -22.256 10.355 4.491 750 H SER 105 H SER 105 -24.589 10.732 4.453 751 HA SER 105 HA SER 105 -25.272 13.370 4.883 752 HB2 SER 105 1HB SER 105 -27.600 12.688 4.510 753 HB3 SER 105 2HB SER 105 -26.521 11.860 3.388 754 HG SER 105 HG SER 105 -26.649 10.300 5.458 755 H GLY 106 H GLY 106 -24.914 14.224 6.879 756 HA2 GLY 106 1HA GLY 106 -26.050 14.879 8.892 757 HA3 GLY 106 2HA GLY 106 -26.675 13.242 9.024 758 HA PRO 107 HA PRO 107 -22.294 13.895 11.028 759 HB2 PRO 107 1HB PRO 107 -22.750 15.456 13.202 760 HB3 PRO 107 2HB PRO 107 -22.249 16.110 11.638 761 HG2 PRO 107 1HG PRO 107 -24.985 15.969 12.843 762 HG3 PRO 107 2HG PRO 107 -24.217 17.304 11.965 763 HD2 PRO 107 1HD PRO 107 -26.000 15.631 10.802 764 HD3 PRO 107 2HD PRO 107 -24.658 16.369 9.905 765 H SER 108 H SER 108 -21.617 12.795 12.922 766 HA SER 108 HA SER 108 -23.364 10.772 13.811 767 HB2 SER 108 1HB SER 108 -20.770 10.811 13.745 768 HB3 SER 108 2HB SER 108 -20.894 11.574 15.330 769 HG SER 108 HG SER 108 -21.147 9.638 16.079 770 H SER 109 H SER 109 -22.000 13.556 15.572 771 HA SER 109 HA SER 109 -24.263 13.348 17.450 772 HB2 SER 109 1HB SER 109 -21.428 14.271 17.967 773 HB3 SER 109 2HB SER 109 -22.746 14.427 19.129 774 HG SER 109 HG SER 109 -22.489 12.409 19.624 775 H GLY 110 H GLY 110 -25.083 15.343 18.320 776 HA2 GLY 110 1HA GLY 110 -24.360 17.910 17.762 777 HA3 GLY 110 2HA GLY 110 -25.227 17.405 16.319 Start of MODEL 12 1 H1 GLY 1 H GLY 1 24.524 -20.357 -13.893 2 HA2 GLY 1 1HA GLY 1 25.559 -21.057 -11.370 3 HA3 GLY 1 2HA GLY 1 26.190 -19.795 -12.417 4 H SER 2 H SER 2 26.591 -18.270 -10.871 5 HA SER 2 HA SER 2 24.344 -17.422 -9.181 6 HB2 SER 2 1HB SER 2 27.298 -16.793 -8.966 7 HB3 SER 2 2HB SER 2 26.055 -16.219 -7.855 8 HG SER 2 HG SER 2 27.380 -18.452 -7.686 9 H SER 3 H SER 3 23.278 -16.325 -10.921 10 HA SER 3 HA SER 3 24.632 -13.941 -11.951 11 HB2 SER 3 1HB SER 3 22.735 -13.803 -13.532 12 HB3 SER 3 2HB SER 3 23.550 -15.365 -13.618 13 HG SER 3 HG SER 3 21.151 -15.338 -13.512 14 H GLY 4 H GLY 4 23.662 -14.181 -9.180 15 HA2 GLY 4 1HA GLY 4 21.496 -12.184 -9.184 16 HA3 GLY 4 2HA GLY 4 21.905 -13.233 -7.835 17 H SER 5 H SER 5 23.448 -12.611 -6.383 18 HA SER 5 HA SER 5 24.811 -11.214 -5.214 19 HB2 SER 5 1HB SER 5 26.137 -11.460 -7.416 20 HB3 SER 5 2HB SER 5 25.543 -9.844 -7.796 21 HG SER 5 HG SER 5 27.628 -9.953 -6.695 22 H SER 6 H SER 6 22.125 -10.504 -5.410 23 HA SER 6 HA SER 6 22.328 -7.582 -5.189 24 HB2 SER 6 1HB SER 6 20.089 -9.093 -6.557 25 HB3 SER 6 2HB SER 6 20.072 -7.365 -6.205 26 HG SER 6 HG SER 6 22.136 -8.567 -7.716 27 H GLY 7 H GLY 7 20.398 -6.663 -3.991 28 HA2 GLY 7 1HA GLY 7 20.056 -8.198 -1.562 29 HA3 GLY 7 2HA GLY 7 19.519 -6.548 -1.841 30 HA PRO 8 HA PRO 8 16.082 -9.879 -2.376 31 HB2 PRO 8 1HB PRO 8 15.145 -10.081 0.164 32 HB3 PRO 8 2HB PRO 8 16.391 -11.152 -0.489 33 HG2 PRO 8 1HG PRO 8 16.692 -8.734 1.251 34 HG3 PRO 8 2HG PRO 8 17.515 -10.301 1.361 35 HD2 PRO 8 1HD PRO 8 18.679 -8.118 0.260 36 HD3 PRO 8 2HD PRO 8 19.022 -9.768 -0.300 37 H VAL 9 H VAL 9 13.758 -9.477 -2.011 38 HA VAL 9 HA VAL 9 12.968 -6.915 -2.611 39 HB VAL 9 HB VAL 9 10.683 -7.600 -1.754 40 HG11 VAL 9 1HG1 VAL 9 11.475 -7.947 -4.077 41 HG12 VAL 9 2HG1 VAL 9 12.031 -9.556 -3.612 42 HG13 VAL 9 3HG1 VAL 9 10.313 -9.163 -3.548 43 HG21 VAL 9 1HG2 VAL 9 10.813 -9.149 -0.117 44 HG22 VAL 9 2HG2 VAL 9 10.807 -10.278 -1.472 45 HG23 VAL 9 3HG2 VAL 9 12.332 -9.813 -0.718 46 HA PRO 10 HA PRO 10 13.071 -4.525 1.072 47 HB2 PRO 10 1HB PRO 10 10.962 -2.865 0.669 48 HB3 PRO 10 2HB PRO 10 12.479 -2.725 -0.227 49 HG2 PRO 10 1HG PRO 10 9.902 -4.003 -1.055 50 HG3 PRO 10 2HG PRO 10 10.986 -2.960 -1.994 51 HD2 PRO 10 1HD PRO 10 10.966 -5.655 -2.259 52 HD3 PRO 10 2HD PRO 10 12.439 -4.685 -2.470 53 H ALA 11 H ALA 11 12.460 -4.988 3.085 54 HA ALA 11 HA ALA 11 10.536 -6.787 3.834 55 HB1 ALA 11 1HB ALA 11 11.254 -6.378 5.910 56 HB2 ALA 11 2HB ALA 11 12.388 -5.258 5.155 57 HB3 ALA 11 3HB ALA 11 10.861 -4.662 5.806 58 H THR 12 H THR 12 8.387 -6.797 4.045 59 HA THR 12 HA THR 12 6.727 -4.892 2.947 60 HB THR 12 HB THR 12 6.030 -6.813 5.177 61 HG1 THR 12 1HG THR 12 5.911 -7.059 2.338 62 HG21 THR 12 1HG2 THR 12 3.774 -6.487 4.684 63 HG22 THR 12 2HG2 THR 12 4.123 -5.738 3.126 64 HG23 THR 12 3HG2 THR 12 4.436 -4.854 4.620 65 HA PRO 13 HA PRO 13 6.670 -1.571 5.852 66 HB2 PRO 13 1HB PRO 13 4.396 -0.354 5.002 67 HB3 PRO 13 2HB PRO 13 5.921 -0.272 4.111 68 HG2 PRO 13 1HG PRO 13 3.547 -2.035 3.644 69 HG3 PRO 13 2HG PRO 13 4.536 -1.155 2.464 70 HD2 PRO 13 1HD PRO 13 4.845 -3.803 2.939 71 HD3 PRO 13 2HD PRO 13 6.200 -2.750 2.482 72 H ILE 14 H ILE 14 5.337 -0.666 7.563 73 HA ILE 14 HA ILE 14 3.545 -2.689 8.703 74 HB ILE 14 HB ILE 14 4.433 -0.322 10.278 75 HG12 ILE 14 1HG1 ILE 14 6.502 -0.984 9.206 76 HG13 ILE 14 2HG1 ILE 14 6.531 -1.515 10.884 77 HG21 ILE 14 1HG2 ILE 14 3.557 -3.111 10.756 78 HG22 ILE 14 2HG2 ILE 14 4.700 -2.413 11.902 79 HG23 ILE 14 3HG2 ILE 14 3.146 -1.629 11.618 80 HD11 ILE 14 1HD1 ILE 14 6.988 -3.563 10.202 81 HD12 ILE 14 2HD1 ILE 14 5.443 -3.621 9.354 82 HD13 ILE 14 3HD1 ILE 14 6.885 -3.044 8.520 83 H LEU 15 H LEU 15 1.471 -2.363 8.236 84 HA LEU 15 HA LEU 15 0.303 0.006 7.374 85 HB2 LEU 15 1HB LEU 15 -0.562 -2.454 7.395 86 HB3 LEU 15 2HB LEU 15 -1.271 -1.993 8.941 87 HG LEU 15 HG LEU 15 -2.891 -1.838 7.120 88 HD11 LEU 15 1HD1 LEU 15 -2.486 -0.033 9.099 89 HD12 LEU 15 2HD1 LEU 15 -3.869 -0.022 8.005 90 HD13 LEU 15 3HD1 LEU 15 -2.479 1.014 7.679 91 HD21 LEU 15 1HD2 LEU 15 -1.179 -1.303 5.362 92 HD22 LEU 15 2HD2 LEU 15 -1.168 0.351 5.976 93 HD23 LEU 15 3HD2 LEU 15 -2.649 -0.329 5.299 94 H GLN 16 H GLN 16 -0.696 1.701 8.353 95 HA GLN 16 HA GLN 16 -1.327 1.707 11.151 96 HB2 GLN 16 1HB GLN 16 1.098 3.149 10.129 97 HB3 GLN 16 2HB GLN 16 0.200 3.780 11.503 98 HG2 GLN 16 1HG GLN 16 0.484 1.406 12.479 99 HG3 GLN 16 2HG GLN 16 1.761 1.244 11.274 100 HE21 GLN 16 1HE2 GLN 16 3.484 2.839 11.321 101 HE22 GLN 16 2HE2 GLN 16 3.955 3.523 12.835 102 H LEU 17 H LEU 17 -3.104 2.887 11.352 103 HA LEU 17 HA LEU 17 -3.516 5.134 9.490 104 HB2 LEU 17 1HB LEU 17 -5.000 3.260 8.994 105 HB3 LEU 17 2HB LEU 17 -5.582 3.274 10.658 106 HG LEU 17 HG LEU 17 -6.912 5.109 10.323 107 HD11 LEU 17 1HD1 LEU 17 -6.528 6.641 8.297 108 HD12 LEU 17 2HD1 LEU 17 -4.939 5.883 8.204 109 HD13 LEU 17 3HD1 LEU 17 -5.413 6.761 9.658 110 HD21 LEU 17 1HD2 LEU 17 -8.239 4.678 8.474 111 HD22 LEU 17 2HD2 LEU 17 -7.410 3.141 8.718 112 HD23 LEU 17 3HD2 LEU 17 -6.863 4.248 7.457 113 H GLU 18 H GLU 18 -3.556 7.039 10.465 114 HA GLU 18 HA GLU 18 -3.961 7.189 13.341 115 HB2 GLU 18 1HB GLU 18 -2.089 8.411 12.285 116 HB3 GLU 18 2HB GLU 18 -3.246 9.362 11.364 117 HG2 GLU 18 1HG GLU 18 -2.347 10.536 13.338 118 HG3 GLU 18 2HG GLU 18 -4.102 10.370 13.357 119 H GLU 19 H GLU 19 -5.322 8.691 10.414 120 HA GLU 19 HA GLU 19 -7.253 10.295 11.433 121 HB2 GLU 19 1HB GLU 19 -7.189 8.545 9.010 122 HB3 GLU 19 2HB GLU 19 -8.682 9.381 9.414 123 HG2 GLU 19 1HG GLU 19 -6.110 10.889 9.264 124 HG3 GLU 19 2HG GLU 19 -6.992 10.479 7.794 125 H CYS 20 H CYS 20 -8.364 9.782 13.237 126 HA CYS 20 HA CYS 20 -9.636 7.179 13.486 127 HB2 CYS 20 1HB CYS 20 -10.258 7.967 15.753 128 HB3 CYS 20 2HB CYS 20 -8.526 8.061 15.456 129 HG CYS 20 HG CYS 20 -8.554 10.394 16.574 130 H CYS 21 H CYS 21 -10.537 10.586 13.211 131 HA CYS 21 HA CYS 21 -13.343 10.114 13.411 132 HB2 CYS 21 1HB CYS 21 -11.818 12.487 12.318 133 HB3 CYS 21 2HB CYS 21 -13.551 12.459 12.620 134 HG CYS 21 HG CYS 21 -11.071 13.073 14.709 135 H THR 22 H THR 22 -14.295 8.842 11.945 136 HA THR 22 HA THR 22 -13.463 8.834 9.178 137 HB THR 22 HB THR 22 -15.341 7.180 8.901 138 HG1 THR 22 1HG THR 22 -15.477 7.293 11.742 139 HG21 THR 22 1HG2 THR 22 -14.230 5.420 10.350 140 HG22 THR 22 2HG2 THR 22 -13.187 6.708 10.953 141 HG23 THR 22 3HG2 THR 22 -13.171 6.289 9.240 142 H HIS 23 H HIS 23 -14.410 11.350 10.003 143 HA HIS 23 HA HIS 23 -17.099 11.597 8.898 144 HB2 HIS 23 1HB HIS 23 -15.269 13.445 10.398 145 HB3 HIS 23 2HB HIS 23 -16.641 14.089 9.501 146 HD1 HIS 23 1HD HIS 23 -18.962 13.749 10.493 147 HD2 HIS 23 2HD HIS 23 -15.955 11.862 12.651 148 HE1 HIS 23 1HE HIS 23 -20.037 13.017 12.645 149 HE2 HIS 23 2HE HIS 23 -18.178 11.954 13.970 150 H ASN 24 H ASN 24 -15.134 10.774 7.070 151 HA ASN 24 HA ASN 24 -15.497 12.729 5.025 152 HB2 ASN 24 1HB ASN 24 -13.238 13.364 4.611 153 HB3 ASN 24 2HB ASN 24 -13.520 13.630 6.329 154 HD21 ASN 24 1HD2 ASN 24 -11.051 13.125 4.777 155 HD22 ASN 24 2HD2 ASN 24 -10.301 11.773 5.546 156 H ASN 25 H ASN 25 -14.806 11.978 2.935 157 HA ASN 25 HA ASN 25 -14.768 9.067 2.801 158 HB2 ASN 25 1HB ASN 25 -15.062 11.126 0.602 159 HB3 ASN 25 2HB ASN 25 -15.237 9.385 0.405 160 HD21 ASN 25 1HD2 ASN 25 -17.274 10.877 -0.399 161 HD22 ASN 25 2HD2 ASN 25 -18.606 10.771 0.696 162 H SER 26 H SER 26 -12.399 10.049 3.772 163 HA SER 26 HA SER 26 -10.556 9.182 1.699 164 HB2 SER 26 1HB SER 26 -10.079 11.790 3.155 165 HB3 SER 26 2HB SER 26 -9.085 11.083 1.882 166 HG SER 26 HG SER 26 -11.299 12.628 1.675 167 H ALA 27 H ALA 27 -8.804 8.114 2.492 168 HA ALA 27 HA ALA 27 -8.558 7.982 5.428 169 HB1 ALA 27 1HB ALA 27 -7.525 5.644 4.791 170 HB2 ALA 27 2HB ALA 27 -9.268 5.861 4.955 171 HB3 ALA 27 3HB ALA 27 -8.528 5.850 3.354 172 H THR 28 H THR 28 -6.738 8.848 6.151 173 HA THR 28 HA THR 28 -4.454 9.137 4.356 174 HB THR 28 HB THR 28 -4.788 10.247 7.148 175 HG1 THR 28 1HG THR 28 -5.336 12.194 6.011 176 HG21 THR 28 1HG2 THR 28 -3.126 11.832 5.488 177 HG22 THR 28 2HG2 THR 28 -2.584 10.160 5.338 178 HG23 THR 28 3HG2 THR 28 -2.677 10.918 6.928 179 H LEU 29 H LEU 29 -2.933 7.628 4.352 180 HA LEU 29 HA LEU 29 -2.438 6.113 6.828 181 HB2 LEU 29 1HB LEU 29 -1.814 5.315 3.989 182 HB3 LEU 29 2HB LEU 29 -1.580 4.326 5.430 183 HG LEU 29 HG LEU 29 -4.085 4.972 3.951 184 HD11 LEU 29 1HD1 LEU 29 -4.260 2.468 5.047 185 HD12 LEU 29 2HD1 LEU 29 -2.531 2.634 4.740 186 HD13 LEU 29 3HD1 LEU 29 -3.684 2.841 3.422 187 HD21 LEU 29 1HD2 LEU 29 -4.886 5.710 5.980 188 HD22 LEU 29 2HD2 LEU 29 -3.824 4.651 6.908 189 HD23 LEU 29 3HD2 LEU 29 -5.230 3.983 6.078 190 H SER 30 H SER 30 -0.312 5.727 7.490 191 HA SER 30 HA SER 30 1.775 7.275 6.112 192 HB2 SER 30 1HB SER 30 0.766 8.364 8.248 193 HB3 SER 30 2HB SER 30 1.684 7.132 9.114 194 HG SER 30 HG SER 30 2.555 9.428 8.076 195 H TRP 31 H TRP 31 1.210 4.463 5.980 196 HA TRP 31 HA TRP 31 2.458 2.687 7.533 197 HB2 TRP 31 1HB TRP 31 3.019 1.374 5.562 198 HB3 TRP 31 2HB TRP 31 1.456 2.153 5.334 199 HD1 TRP 31 HD TRP 31 4.977 2.047 3.931 200 HE1 TRP 31 1HE TRP 31 5.063 3.433 1.764 201 HE3 TRP 31 3HE TRP 31 0.368 4.244 4.188 202 HZ2 TRP 31 2HZ TRP 31 3.398 5.222 0.351 203 HZ3 TRP 31 3HZ TRP 31 -0.309 5.780 2.389 204 HH2 TRP 31 HH TRP 31 1.177 6.258 0.512 205 H LYS 32 H LYS 32 4.469 2.103 8.175 206 HA LYS 32 HA LYS 32 6.720 3.715 7.163 207 HB2 LYS 32 1HB LYS 32 7.699 3.675 9.380 208 HB3 LYS 32 2HB LYS 32 6.072 4.338 9.466 209 HG2 LYS 32 1HG LYS 32 5.245 2.532 10.605 210 HG3 LYS 32 2HG LYS 32 6.458 1.428 9.954 211 HD2 LYS 32 1HD LYS 32 8.101 2.970 11.325 212 HD3 LYS 32 2HD LYS 32 6.639 3.319 12.249 213 HE2 LYS 32 1HE LYS 32 6.317 0.930 12.646 214 HE3 LYS 32 2HE LYS 32 7.762 0.572 11.702 215 HZ1 LYS 32 1HZ LYS 32 7.753 0.870 14.350 216 HZ2 LYS 32 2HZ LYS 32 8.129 2.450 13.880 217 HZ3 LYS 32 3HZ LYS 32 9.108 1.164 13.381 218 H GLN 33 H GLN 33 8.868 2.546 8.068 219 HA GLN 33 HA GLN 33 8.734 -0.162 6.952 220 HB2 GLN 33 1HB GLN 33 10.867 1.917 7.137 221 HB3 GLN 33 2HB GLN 33 11.351 0.228 7.076 222 HG2 GLN 33 1HG GLN 33 9.399 1.194 5.061 223 HG3 GLN 33 2HG GLN 33 11.084 1.685 4.897 224 HE21 GLN 33 1HE2 GLN 33 9.289 -0.162 3.348 225 HE22 GLN 33 2HE2 GLN 33 10.190 -1.629 3.218 226 HA PRO 34 HA PRO 34 9.462 -2.082 10.836 227 HB2 PRO 34 1HB PRO 34 10.779 -4.314 10.028 228 HB3 PRO 34 2HB PRO 34 9.046 -4.076 9.773 229 HG2 PRO 34 1HG PRO 34 11.314 -3.680 7.860 230 HG3 PRO 34 2HG PRO 34 9.733 -4.433 7.581 231 HD2 PRO 34 1HD PRO 34 10.291 -1.893 6.826 232 HD3 PRO 34 2HD PRO 34 8.669 -2.403 7.337 233 HA PRO 35 HA PRO 35 13.509 -0.734 12.051 234 HB2 PRO 35 1HB PRO 35 13.457 -1.727 14.577 235 HB3 PRO 35 2HB PRO 35 12.566 -0.278 14.096 236 HG2 PRO 35 1HG PRO 35 11.583 -3.088 14.416 237 HG3 PRO 35 2HG PRO 35 10.821 -1.570 14.927 238 HD2 PRO 35 1HD PRO 35 10.080 -2.889 12.681 239 HD3 PRO 35 2HD PRO 35 10.011 -1.120 12.817 240 H LEU 36 H LEU 36 12.500 -3.949 11.665 241 HA LEU 36 HA LEU 36 15.196 -4.977 12.243 242 HB2 LEU 36 1HB LEU 36 12.548 -6.395 12.006 243 HB3 LEU 36 2HB LEU 36 14.097 -7.219 12.176 244 HG LEU 36 HG LEU 36 14.225 -5.669 14.343 245 HD11 LEU 36 1HD1 LEU 36 12.299 -4.846 15.104 246 HD12 LEU 36 2HD1 LEU 36 11.415 -6.319 14.711 247 HD13 LEU 36 3HD1 LEU 36 11.679 -5.093 13.472 248 HD21 LEU 36 1HD2 LEU 36 12.607 -8.210 14.284 249 HD22 LEU 36 2HD2 LEU 36 13.560 -7.573 15.624 250 HD23 LEU 36 3HD2 LEU 36 14.366 -8.158 14.167 251 H SER 37 H SER 37 14.530 -3.496 9.851 252 HA SER 37 HA SER 37 14.892 -5.611 7.831 253 HB2 SER 37 1HB SER 37 12.934 -4.668 7.087 254 HB3 SER 37 2HB SER 37 13.297 -3.095 7.796 255 HG SER 37 HG SER 37 14.132 -2.507 5.967 256 H THR 38 H THR 38 16.343 -5.173 6.098 257 HA THR 38 HA THR 38 18.222 -2.960 6.563 258 HB THR 38 HB THR 38 19.102 -5.759 5.839 259 HG1 THR 38 1HG THR 38 19.708 -5.974 7.973 260 HG21 THR 38 1HG2 THR 38 20.379 -3.221 5.706 261 HG22 THR 38 2HG2 THR 38 21.060 -4.812 5.364 262 HG23 THR 38 3HG2 THR 38 21.141 -4.151 6.996 263 H VAL 39 H VAL 39 16.027 -3.996 4.547 264 HA VAL 39 HA VAL 39 17.621 -3.578 2.106 265 HB VAL 39 HB VAL 39 14.807 -4.604 2.063 266 HG11 VAL 39 1HG1 VAL 39 16.674 -5.802 0.232 267 HG12 VAL 39 2HG1 VAL 39 15.216 -4.867 -0.106 268 HG13 VAL 39 3HG1 VAL 39 16.757 -4.043 0.137 269 HG21 VAL 39 1HG2 VAL 39 17.140 -5.973 3.172 270 HG22 VAL 39 2HG2 VAL 39 15.424 -6.351 3.326 271 HG23 VAL 39 3HG2 VAL 39 16.318 -6.878 1.900 272 HA PRO 40 HA PRO 40 15.599 0.429 2.144 273 HB2 PRO 40 1HB PRO 40 17.023 1.429 0.060 274 HB3 PRO 40 2HB PRO 40 17.666 1.329 1.703 275 HG2 PRO 40 1HG PRO 40 18.114 -0.504 -0.620 276 HG3 PRO 40 2HG PRO 40 19.285 0.112 0.560 277 HD2 PRO 40 1HD PRO 40 18.227 -2.375 0.720 278 HD3 PRO 40 2HD PRO 40 18.680 -1.435 2.157 279 H ALA 41 H ALA 41 13.743 0.953 1.176 280 HA ALA 41 HA ALA 41 13.045 -0.376 -1.340 281 HB1 ALA 41 1HB ALA 41 11.601 -0.347 0.846 282 HB2 ALA 41 2HB ALA 41 11.082 1.224 0.232 283 HB3 ALA 41 3HB ALA 41 10.835 -0.228 -0.739 284 H ASP 42 H ASP 42 12.288 0.750 -3.134 285 HA ASP 42 HA ASP 42 13.255 3.486 -3.331 286 HB2 ASP 42 1HB ASP 42 12.433 1.378 -5.288 287 HB3 ASP 42 2HB ASP 42 12.416 3.065 -5.795 288 H GLY 43 H GLY 43 10.228 1.697 -3.455 289 HA2 GLY 43 1HA GLY 43 8.746 4.100 -2.873 290 HA3 GLY 43 2HA GLY 43 8.449 3.474 -4.488 291 H TYR 44 H TYR 44 6.263 3.558 -3.139 292 HA TYR 44 HA TYR 44 5.804 0.795 -2.245 293 HB2 TYR 44 1HB TYR 44 4.568 3.246 -0.975 294 HB3 TYR 44 2HB TYR 44 4.302 1.573 -0.496 295 HD1 TYR 44 2HD TYR 44 7.044 4.076 -0.874 296 HD2 TYR 44 1HD TYR 44 5.583 0.668 1.212 297 HE1 TYR 44 2HE TYR 44 8.936 4.231 0.691 298 HE2 TYR 44 1HE TYR 44 7.470 0.814 2.784 299 HH TYR 44 HH TYR 44 9.311 3.435 3.206 300 H ILE 45 H ILE 45 3.460 0.205 -2.305 301 HA ILE 45 HA ILE 45 1.930 1.715 -4.297 302 HB ILE 45 HB ILE 45 2.456 -1.255 -4.467 303 HG12 ILE 45 1HG1 ILE 45 3.109 0.871 -6.505 304 HG13 ILE 45 2HG1 ILE 45 4.255 0.368 -5.268 305 HG21 ILE 45 1HG2 ILE 45 0.717 -1.482 -5.853 306 HG22 ILE 45 2HG2 ILE 45 0.154 0.048 -5.183 307 HG23 ILE 45 3HG2 ILE 45 1.071 0.030 -6.689 308 HD11 ILE 45 1HD1 ILE 45 3.012 -1.468 -7.300 309 HD12 ILE 45 2HD1 ILE 45 4.612 -0.738 -7.434 310 HD13 ILE 45 3HD1 ILE 45 4.268 -1.876 -6.131 311 H LEU 46 H LEU 46 -0.075 2.037 -3.611 312 HA LEU 46 HA LEU 46 -1.107 0.400 -1.420 313 HB2 LEU 46 1HB LEU 46 -1.648 3.127 -2.459 314 HB3 LEU 46 2HB LEU 46 -2.974 2.276 -1.669 315 HG LEU 46 HG LEU 46 -0.298 2.708 -0.358 316 HD11 LEU 46 1HD1 LEU 46 -2.759 4.383 0.066 317 HD12 LEU 46 2HD1 LEU 46 -1.447 4.855 -1.013 318 HD13 LEU 46 3HD1 LEU 46 -1.137 4.643 0.710 319 HD21 LEU 46 1HD2 LEU 46 -3.024 2.079 0.770 320 HD22 LEU 46 2HD2 LEU 46 -1.521 2.239 1.680 321 HD23 LEU 46 3HD2 LEU 46 -1.722 0.911 0.536 322 H GLU 47 H GLU 47 -3.257 -0.440 -1.461 323 HA GLU 47 HA GLU 47 -4.579 -0.591 -4.055 324 HB2 GLU 47 1HB GLU 47 -3.388 -2.924 -2.595 325 HB3 GLU 47 2HB GLU 47 -4.825 -3.147 -3.584 326 HG2 GLU 47 1HG GLU 47 -2.512 -1.741 -4.795 327 HG3 GLU 47 2HG GLU 47 -2.391 -3.482 -4.547 328 H LEU 48 H LEU 48 -6.756 -0.699 -3.904 329 HA LEU 48 HA LEU 48 -8.022 -1.557 -1.434 330 HB2 LEU 48 1HB LEU 48 -7.560 0.807 -1.043 331 HB3 LEU 48 2HB LEU 48 -8.387 1.223 -2.543 332 HG LEU 48 HG LEU 48 -10.501 0.403 -1.576 333 HD11 LEU 48 1HD1 LEU 48 -10.057 0.352 1.138 334 HD12 LEU 48 2HD1 LEU 48 -8.689 -0.551 0.489 335 HD13 LEU 48 3HD1 LEU 48 -10.336 -1.051 0.105 336 HD21 LEU 48 1HD2 LEU 48 -10.168 2.726 -1.407 337 HD22 LEU 48 2HD2 LEU 48 -8.974 2.545 -0.122 338 HD23 LEU 48 3HD2 LEU 48 -10.675 2.209 0.201 339 H ASP 49 H ASP 49 -10.243 -2.023 -1.659 340 HA ASP 49 HA ASP 49 -11.036 -2.519 -4.426 341 HB2 ASP 49 1HB ASP 49 -11.103 -4.344 -2.690 342 HB3 ASP 49 2HB ASP 49 -12.407 -3.460 -1.903 343 H ASP 50 H ASP 50 -13.519 -2.371 -4.769 344 HA ASP 50 HA ASP 50 -14.260 0.378 -4.154 345 HB2 ASP 50 1HB ASP 50 -16.007 0.068 -5.854 346 HB3 ASP 50 2HB ASP 50 -14.422 -0.377 -6.480 347 H GLY 51 H GLY 51 -14.355 -1.261 -1.924 348 HA2 GLY 51 1HA GLY 51 -15.735 -1.941 -0.216 349 HA3 GLY 51 2HA GLY 51 -16.834 -0.715 -0.832 350 H ASN 52 H ASN 52 -15.890 -3.426 -2.801 351 HA ASN 52 HA ASN 52 -18.657 -4.395 -2.689 352 HB2 ASN 52 1HB ASN 52 -17.961 -3.831 -4.918 353 HB3 ASN 52 2HB ASN 52 -16.477 -4.764 -4.749 354 HD21 ASN 52 1HD2 ASN 52 -16.581 -6.466 -6.013 355 HD22 ASN 52 2HD2 ASN 52 -17.943 -7.512 -6.205 356 H GLY 53 H GLY 53 -15.330 -5.358 -2.192 357 HA2 GLY 53 1HA GLY 53 -14.711 -7.068 -0.671 358 HA3 GLY 53 2HA GLY 53 -16.293 -7.801 -0.892 359 H GLY 54 H GLY 54 -14.166 -6.753 -3.496 360 HA2 GLY 54 1HA GLY 54 -13.837 -9.596 -4.235 361 HA3 GLY 54 2HA GLY 54 -14.100 -8.321 -5.416 362 H GLN 55 H GLN 55 -12.302 -8.030 -6.548 363 HA GLN 55 HA GLN 55 -9.706 -8.555 -5.406 364 HB2 GLN 55 1HB GLN 55 -8.840 -8.219 -7.601 365 HB3 GLN 55 2HB GLN 55 -10.347 -9.110 -7.777 366 HG2 GLN 55 1HG GLN 55 -11.471 -7.292 -8.663 367 HG3 GLN 55 2HG GLN 55 -10.320 -6.132 -8.003 368 HE21 GLN 55 1HE2 GLN 55 -11.292 -6.436 -10.728 369 HE22 GLN 55 2HE2 GLN 55 -9.896 -6.691 -11.713 370 H PHE 56 H PHE 56 -7.927 -6.979 -5.589 371 HA PHE 56 HA PHE 56 -8.869 -4.307 -4.819 372 HB2 PHE 56 1HB PHE 56 -6.176 -5.601 -4.341 373 HB3 PHE 56 2HB PHE 56 -6.689 -4.030 -3.734 374 HD1 PHE 56 1HD PHE 56 -7.941 -7.549 -3.735 375 HD2 PHE 56 2HD PHE 56 -7.328 -3.954 -1.540 376 HE1 PHE 56 1HE PHE 56 -8.845 -8.630 -1.718 377 HE2 PHE 56 2HE PHE 56 -8.230 -5.030 0.480 378 HZ PHE 56 HZ PHE 56 -8.989 -7.371 0.393 379 H ARG 57 H ARG 57 -7.799 -2.434 -5.615 380 HA ARG 57 HA ARG 57 -6.238 -2.844 -8.074 381 HB2 ARG 57 1HB ARG 57 -7.511 -1.321 -9.303 382 HB3 ARG 57 2HB ARG 57 -8.723 -2.233 -8.413 383 HG2 ARG 57 1HG ARG 57 -8.451 -0.295 -6.669 384 HG3 ARG 57 2HG ARG 57 -7.837 0.586 -8.070 385 HD2 ARG 57 1HD ARG 57 -10.018 -0.427 -9.187 386 HD3 ARG 57 2HD ARG 57 -10.566 -0.447 -7.512 387 HE ARG 57 HE ARG 57 -10.839 1.806 -7.655 388 HH11 ARG 57 2HH1 ARG 57 -8.515 0.829 -10.056 389 HH12 ARG 57 1HH1 ARG 57 -8.352 2.416 -10.732 390 HH21 ARG 57 2HH2 ARG 57 -10.634 3.900 -8.537 391 HH22 ARG 57 1HH2 ARG 57 -9.557 4.162 -9.867 392 H GLU 58 H GLU 58 -4.737 -1.216 -8.578 393 HA GLU 58 HA GLU 58 -3.420 -0.046 -6.409 394 HB2 GLU 58 1HB GLU 58 -3.269 0.398 -9.378 395 HB3 GLU 58 2HB GLU 58 -2.300 1.360 -8.271 396 HG2 GLU 58 1HG GLU 58 -0.821 -0.295 -8.744 397 HG3 GLU 58 2HG GLU 58 -1.619 -1.003 -7.341 398 H VAL 59 H VAL 59 -3.445 1.948 -5.489 399 HA VAL 59 HA VAL 59 -5.410 3.885 -6.524 400 HB VAL 59 HB VAL 59 -5.915 4.544 -4.208 401 HG11 VAL 59 1HG1 VAL 59 -7.597 3.078 -4.166 402 HG12 VAL 59 2HG1 VAL 59 -6.839 2.329 -5.573 403 HG13 VAL 59 3HG1 VAL 59 -6.504 1.710 -3.956 404 HG21 VAL 59 1HG2 VAL 59 -4.141 2.214 -3.491 405 HG22 VAL 59 2HG2 VAL 59 -3.867 3.914 -3.109 406 HG23 VAL 59 3HG2 VAL 59 -5.206 3.047 -2.359 407 H TYR 60 H TYR 60 -2.298 3.296 -5.106 408 HA TYR 60 HA TYR 60 -1.456 5.979 -5.824 409 HB2 TYR 60 1HB TYR 60 -1.837 6.674 -3.687 410 HB3 TYR 60 2HB TYR 60 -1.750 5.045 -3.027 411 HD1 TYR 60 1HD TYR 60 0.471 4.022 -2.559 412 HD2 TYR 60 2HD TYR 60 0.071 8.098 -3.714 413 HE1 TYR 60 1HE TYR 60 2.742 4.474 -1.731 414 HE2 TYR 60 2HE TYR 60 2.342 8.560 -2.890 415 HH TYR 60 HH TYR 60 4.587 6.318 -2.330 416 H VAL 61 H VAL 61 0.761 6.169 -6.165 417 HA VAL 61 HA VAL 61 2.534 3.970 -5.557 418 HB VAL 61 HB VAL 61 1.916 4.644 -8.437 419 HG11 VAL 61 1HG1 VAL 61 3.628 2.349 -7.924 420 HG12 VAL 61 2HG1 VAL 61 3.834 3.685 -9.059 421 HG13 VAL 61 3HG1 VAL 61 4.339 3.868 -7.379 422 HG21 VAL 61 1HG2 VAL 61 1.506 2.088 -6.887 423 HG22 VAL 61 2HG2 VAL 61 0.235 3.201 -7.393 424 HG23 VAL 61 3HG2 VAL 61 1.173 2.325 -8.603 425 H GLY 62 H GLY 62 4.407 4.849 -4.989 426 HA2 GLY 62 1HA GLY 62 5.871 6.673 -6.530 427 HA3 GLY 62 2HA GLY 62 4.994 7.585 -5.310 428 H LYS 63 H LYS 63 6.935 8.232 -4.322 429 HA LYS 63 HA LYS 63 8.237 6.099 -2.762 430 HB2 LYS 63 1HB LYS 63 10.351 7.247 -2.939 431 HB3 LYS 63 2HB LYS 63 9.714 6.983 -4.557 432 HG2 LYS 63 1HG LYS 63 8.732 9.416 -4.148 433 HG3 LYS 63 2HG LYS 63 10.120 9.505 -3.061 434 HD2 LYS 63 1HD LYS 63 10.241 8.723 -5.974 435 HD3 LYS 63 2HD LYS 63 10.635 10.320 -5.334 436 HE2 LYS 63 1HE LYS 63 12.334 9.142 -3.859 437 HE3 LYS 63 2HE LYS 63 12.064 7.716 -4.860 438 HZ1 LYS 63 1HZ LYS 63 12.599 10.141 -6.336 439 HZ2 LYS 63 2HZ LYS 63 13.225 8.585 -6.547 440 HZ3 LYS 63 3HZ LYS 63 13.888 9.611 -5.377 441 H GLU 64 H GLU 64 6.124 7.167 -1.609 442 HA GLU 64 HA GLU 64 7.188 9.203 0.239 443 HB2 GLU 64 1HB GLU 64 4.385 8.749 -0.768 444 HB3 GLU 64 2HB GLU 64 4.721 9.710 0.665 445 HG2 GLU 64 1HG GLU 64 6.370 10.950 -0.971 446 HG3 GLU 64 2HG GLU 64 5.277 10.298 -2.191 447 H THR 65 H THR 65 6.058 9.127 2.426 448 HA THR 65 HA THR 65 5.929 6.318 3.295 449 HB THR 65 HB THR 65 6.962 8.794 4.592 450 HG1 THR 65 1HG THR 65 7.844 6.140 4.988 451 HG21 THR 65 1HG2 THR 65 6.824 7.723 6.814 452 HG22 THR 65 2HG2 THR 65 5.827 6.446 6.117 453 HG23 THR 65 3HG2 THR 65 5.234 8.107 6.155 454 H MET 66 H MET 66 4.045 9.064 2.806 455 HA MET 66 HA MET 66 1.807 7.827 4.190 456 HB2 MET 66 1HB MET 66 2.343 9.200 5.971 457 HB3 MET 66 2HB MET 66 3.001 10.461 4.937 458 HG2 MET 66 1HG MET 66 0.684 10.974 4.196 459 HG3 MET 66 2HG MET 66 0.100 9.815 5.388 460 HE1 MET 66 1HE MET 66 -0.766 10.297 7.152 461 HE2 MET 66 2HE MET 66 0.189 10.916 8.499 462 HE3 MET 66 3HE MET 66 -1.038 11.935 7.746 463 H CYS 67 H CYS 67 0.060 7.895 2.939 464 HA CYS 67 HA CYS 67 -0.377 10.160 1.156 465 HB2 CYS 67 1HB CYS 67 0.918 8.364 -0.087 466 HB3 CYS 67 2HB CYS 67 -0.499 7.337 0.093 467 HG CYS 67 HG CYS 67 -2.069 8.556 -1.653 468 H THR 68 H THR 68 -2.492 10.647 0.875 469 HA THR 68 HA THR 68 -4.428 8.928 2.264 470 HB THR 68 HB THR 68 -4.711 11.836 1.481 471 HG1 THR 68 1HG THR 68 -4.617 11.923 3.941 472 HG21 THR 68 1HG2 THR 68 -6.586 11.651 3.235 473 HG22 THR 68 2HG2 THR 68 -6.474 9.912 2.967 474 HG23 THR 68 3HG2 THR 68 -6.886 10.985 1.630 475 H VAL 69 H VAL 69 -6.384 8.360 1.308 476 HA VAL 69 HA VAL 69 -6.369 8.459 -1.622 477 HB VAL 69 HB VAL 69 -6.542 6.242 -0.482 478 HG11 VAL 69 1HG1 VAL 69 -7.856 6.754 1.431 479 HG12 VAL 69 2HG1 VAL 69 -9.171 7.386 0.439 480 HG13 VAL 69 3HG1 VAL 69 -8.810 5.659 0.431 481 HG21 VAL 69 1HG2 VAL 69 -7.279 6.405 -2.745 482 HG22 VAL 69 2HG2 VAL 69 -8.472 5.446 -1.869 483 HG23 VAL 69 3HG2 VAL 69 -8.809 7.133 -2.255 484 H ASP 70 H ASP 70 -8.225 9.034 -2.804 485 HA ASP 70 HA ASP 70 -10.238 10.562 -1.289 486 HB2 ASP 70 1HB ASP 70 -9.192 12.318 -2.321 487 HB3 ASP 70 2HB ASP 70 -8.614 11.327 -3.658 488 H GLY 71 H GLY 71 -12.364 10.466 -2.002 489 HA2 GLY 71 1HA GLY 71 -14.159 9.758 -3.310 490 HA3 GLY 71 2HA GLY 71 -13.025 8.962 -4.391 491 H LEU 72 H LEU 72 -14.200 8.692 -1.035 492 HA LEU 72 HA LEU 72 -14.163 5.765 -1.373 493 HB2 LEU 72 1HB LEU 72 -13.970 7.375 1.168 494 HB3 LEU 72 2HB LEU 72 -13.957 5.616 1.060 495 HG LEU 72 HG LEU 72 -11.838 7.462 -0.040 496 HD11 LEU 72 1HD1 LEU 72 -11.805 5.631 2.355 497 HD12 LEU 72 2HD1 LEU 72 -11.844 7.393 2.397 498 HD13 LEU 72 3HD1 LEU 72 -10.437 6.558 1.740 499 HD21 LEU 72 1HD2 LEU 72 -11.939 4.450 0.109 500 HD22 LEU 72 2HD2 LEU 72 -10.580 5.419 -0.464 501 HD23 LEU 72 3HD2 LEU 72 -12.101 5.416 -1.358 502 H HIS 73 H HIS 73 -16.029 4.692 -1.226 503 HA HIS 73 HA HIS 73 -18.499 6.036 -1.129 504 HB2 HIS 73 1HB HIS 73 -17.860 3.692 -2.103 505 HB3 HIS 73 2HB HIS 73 -18.270 3.115 -0.490 506 HD1 HIS 73 1HD HIS 73 -20.583 2.283 -0.401 507 HD2 HIS 73 2HD HIS 73 -20.201 5.455 -3.057 508 HE1 HIS 73 1HE HIS 73 -22.883 2.644 -1.352 509 HE2 HIS 73 2HE HIS 73 -22.610 4.512 -3.019 510 H PHE 74 H PHE 74 -20.279 5.124 0.444 511 HA PHE 74 HA PHE 74 -19.219 5.217 3.190 512 HB2 PHE 74 1HB PHE 74 -21.416 6.453 3.724 513 HB3 PHE 74 2HB PHE 74 -20.136 7.362 2.928 514 HD1 PHE 74 1HD PHE 74 -20.256 7.400 0.314 515 HD2 PHE 74 2HD PHE 74 -23.549 6.542 2.870 516 HE1 PHE 74 1HE PHE 74 -21.812 8.013 -1.491 517 HE2 PHE 74 2HE PHE 74 -25.110 7.153 1.070 518 HZ PHE 74 HZ PHE 74 -24.243 7.888 -1.115 519 H ASN 75 H ASN 75 -20.595 4.241 4.813 520 HA ASN 75 HA ASN 75 -21.739 2.450 5.629 521 HB2 ASN 75 1HB ASN 75 -23.519 3.258 3.328 522 HB3 ASN 75 2HB ASN 75 -23.960 1.997 4.476 523 HD21 ASN 75 1HD2 ASN 75 -25.159 4.630 3.892 524 HD22 ASN 75 2HD2 ASN 75 -25.221 5.451 5.412 525 H SER 76 H SER 76 -19.608 1.547 4.390 526 HA SER 76 HA SER 76 -20.387 -1.033 3.463 527 HB2 SER 76 1HB SER 76 -19.249 0.933 1.472 528 HB3 SER 76 2HB SER 76 -19.165 -0.813 1.240 529 HG SER 76 HG SER 76 -21.414 0.873 1.275 530 H THR 77 H THR 77 -18.808 -2.489 3.841 531 HA THR 77 HA THR 77 -16.527 -1.720 5.315 532 HB THR 77 HB THR 77 -16.689 -4.383 3.947 533 HG1 THR 77 1HG THR 77 -18.073 -3.907 6.360 534 HG21 THR 77 1HG2 THR 77 -15.804 -5.142 6.136 535 HG22 THR 77 2HG2 THR 77 -15.792 -3.464 6.681 536 HG23 THR 77 3HG2 THR 77 -14.758 -3.965 5.343 537 H TYR 78 H TYR 78 -14.423 -1.447 4.758 538 HA TYR 78 HA TYR 78 -13.717 -1.783 1.919 539 HB2 TYR 78 1HB TYR 78 -13.444 0.592 3.682 540 HB3 TYR 78 2HB TYR 78 -12.108 0.257 2.587 541 HD1 TYR 78 1HD TYR 78 -15.629 1.234 2.827 542 HD2 TYR 78 2HD TYR 78 -12.390 0.447 0.183 543 HE1 TYR 78 1HE TYR 78 -16.870 2.311 0.996 544 HE2 TYR 78 2HE TYR 78 -13.621 1.523 -1.655 545 HH TYR 78 HH TYR 78 -15.818 2.131 -2.291 546 H ASN 79 H ASN 79 -11.684 -2.550 1.469 547 HA ASN 79 HA ASN 79 -9.958 -3.190 3.765 548 HB2 ASN 79 1HB ASN 79 -10.756 -5.015 1.492 549 HB3 ASN 79 2HB ASN 79 -9.404 -5.348 2.570 550 HD21 ASN 79 1HD2 ASN 79 -12.524 -6.052 2.008 551 HD22 ASN 79 2HD2 ASN 79 -13.033 -6.481 3.602 552 H ALA 80 H ALA 80 -8.090 -2.174 3.523 553 HA ALA 80 HA ALA 80 -7.045 -1.760 0.799 554 HB1 ALA 80 1HB ALA 80 -7.592 0.167 2.589 555 HB2 ALA 80 2HB ALA 80 -5.915 -0.175 3.016 556 HB3 ALA 80 3HB ALA 80 -6.326 0.303 1.369 557 H ARG 81 H ARG 81 -4.541 -1.453 0.881 558 HA ARG 81 HA ARG 81 -3.055 -2.896 2.812 559 HB2 ARG 81 1HB ARG 81 -2.582 -4.917 1.731 560 HB3 ARG 81 2HB ARG 81 -4.315 -4.720 1.506 561 HG2 ARG 81 1HG ARG 81 -3.660 -3.632 -0.745 562 HG3 ARG 81 2HG ARG 81 -2.109 -4.433 -0.487 563 HD2 ARG 81 1HD ARG 81 -4.775 -5.583 -1.076 564 HD3 ARG 81 2HD ARG 81 -3.179 -6.084 -1.631 565 HE ARG 81 HE ARG 81 -2.926 -7.365 0.300 566 HH11 ARG 81 2HH1 ARG 81 -5.920 -5.588 0.329 567 HH12 ARG 81 1HH1 ARG 81 -6.604 -6.508 1.628 568 HH21 ARG 81 2HH2 ARG 81 -3.817 -8.583 2.011 569 HH22 ARG 81 1HH2 ARG 81 -5.407 -8.211 2.584 570 H VAL 82 H VAL 82 -0.956 -2.338 2.682 571 HA VAL 82 HA VAL 82 -0.035 -1.069 0.184 572 HB VAL 82 HB VAL 82 -0.407 0.537 2.078 573 HG11 VAL 82 1HG1 VAL 82 0.368 -1.089 3.837 574 HG12 VAL 82 2HG1 VAL 82 2.019 -0.754 3.309 575 HG13 VAL 82 3HG1 VAL 82 1.024 0.542 3.973 576 HG21 VAL 82 1HG2 VAL 82 1.525 1.807 1.612 577 HG22 VAL 82 2HG2 VAL 82 2.497 0.366 1.313 578 HG23 VAL 82 3HG2 VAL 82 1.239 0.834 0.169 579 H LYS 83 H LYS 83 2.059 -1.469 -0.484 580 HA LYS 83 HA LYS 83 3.700 -3.280 1.124 581 HB2 LYS 83 1HB LYS 83 4.134 -4.707 -0.855 582 HB3 LYS 83 2HB LYS 83 2.459 -4.770 -0.323 583 HG2 LYS 83 1HG LYS 83 1.679 -3.716 -2.186 584 HG3 LYS 83 2HG LYS 83 3.174 -2.813 -2.438 585 HD2 LYS 83 1HD LYS 83 4.196 -5.146 -2.942 586 HD3 LYS 83 2HD LYS 83 2.518 -5.639 -3.179 587 HE2 LYS 83 1HE LYS 83 3.598 -3.204 -4.546 588 HE3 LYS 83 2HE LYS 83 3.903 -4.809 -5.209 589 HZ1 LYS 83 1HZ LYS 83 1.379 -3.339 -4.986 590 HZ2 LYS 83 2HZ LYS 83 1.329 -5.027 -4.889 591 HZ3 LYS 83 3HZ LYS 83 1.970 -4.278 -6.263 592 H ALA 84 H ALA 84 5.883 -3.635 -0.084 593 HA ALA 84 HA ALA 84 6.734 -1.030 -1.171 594 HB1 ALA 84 1HB ALA 84 8.324 -0.933 0.371 595 HB2 ALA 84 2HB ALA 84 7.659 -2.392 1.107 596 HB3 ALA 84 3HB ALA 84 8.935 -2.518 -0.105 597 H PHE 85 H PHE 85 8.285 -1.014 -2.832 598 HA PHE 85 HA PHE 85 9.068 -3.550 -4.024 599 HB2 PHE 85 1HB PHE 85 8.043 -3.241 -6.098 600 HB3 PHE 85 2HB PHE 85 6.796 -2.725 -4.968 601 HD1 PHE 85 1HD PHE 85 9.304 -1.586 -7.398 602 HD2 PHE 85 2HD PHE 85 6.064 -0.458 -4.878 603 HE1 PHE 85 1HE PHE 85 9.174 0.588 -8.543 604 HE2 PHE 85 2HE PHE 85 5.929 1.717 -6.019 605 HZ PHE 85 HZ PHE 85 7.485 2.242 -7.855 606 H ASN 86 H ASN 86 10.917 -3.432 -5.265 607 HA ASN 86 HA ASN 86 12.050 -0.861 -5.961 608 HB2 ASN 86 1HB ASN 86 14.144 -1.225 -4.724 609 HB3 ASN 86 2HB ASN 86 12.769 -1.105 -3.630 610 HD21 ASN 86 1HD2 ASN 86 13.992 -2.182 -2.042 611 HD22 ASN 86 2HD2 ASN 86 14.217 -3.895 -2.097 612 H LYS 87 H LYS 87 14.495 -1.399 -6.727 613 HA LYS 87 HA LYS 87 14.479 -2.546 -9.128 614 HB2 LYS 87 1HB LYS 87 16.659 -2.680 -7.053 615 HB3 LYS 87 2HB LYS 87 16.896 -3.270 -8.693 616 HG2 LYS 87 1HG LYS 87 16.607 -1.112 -9.612 617 HG3 LYS 87 2HG LYS 87 15.997 -0.467 -8.087 618 HD2 LYS 87 1HD LYS 87 18.724 -1.664 -8.134 619 HD3 LYS 87 2HD LYS 87 18.493 -0.068 -8.853 620 HE2 LYS 87 1HE LYS 87 17.980 0.911 -6.846 621 HE3 LYS 87 2HE LYS 87 17.351 -0.584 -6.154 622 HZ1 LYS 87 1HZ LYS 87 20.120 0.363 -6.326 623 HZ2 LYS 87 2HZ LYS 87 19.838 -1.305 -6.356 624 HZ3 LYS 87 3HZ LYS 87 19.315 -0.383 -5.038 625 H THR 88 H THR 88 15.195 -4.404 -6.172 626 HA THR 88 HA THR 88 15.584 -6.901 -7.150 627 HB THR 88 HB THR 88 13.719 -6.531 -4.819 628 HG1 THR 88 1HG THR 88 15.208 -5.312 -3.946 629 HG21 THR 88 1HG2 THR 88 14.407 -8.815 -5.661 630 HG22 THR 88 2HG2 THR 88 14.760 -8.489 -3.964 631 HG23 THR 88 3HG2 THR 88 16.049 -8.410 -5.164 632 H GLY 89 H GLY 89 12.339 -5.947 -6.010 633 HA2 GLY 89 1HA GLY 89 10.998 -6.690 -8.386 634 HA3 GLY 89 2HA GLY 89 10.971 -8.034 -7.255 635 H VAL 90 H VAL 90 9.455 -8.064 -5.708 636 HA VAL 90 HA VAL 90 8.221 -5.627 -4.763 637 HB VAL 90 HB VAL 90 5.901 -6.833 -5.280 638 HG11 VAL 90 1HG1 VAL 90 5.674 -5.352 -7.235 639 HG12 VAL 90 2HG1 VAL 90 6.436 -4.543 -5.864 640 HG13 VAL 90 3HG1 VAL 90 7.419 -5.094 -7.221 641 HG21 VAL 90 1HG2 VAL 90 7.712 -7.687 -7.534 642 HG22 VAL 90 2HG2 VAL 90 6.812 -8.735 -6.437 643 HG23 VAL 90 3HG2 VAL 90 5.950 -7.726 -7.599 644 H SER 91 H SER 91 6.889 -5.947 -2.908 645 HA SER 91 HA SER 91 7.376 -8.533 -1.586 646 HB2 SER 91 1HB SER 91 7.377 -5.720 -0.607 647 HB3 SER 91 2HB SER 91 6.794 -6.965 0.498 648 HG SER 91 HG SER 91 8.939 -6.918 0.846 649 HA PRO 92 HA PRO 92 3.085 -9.332 -1.154 650 HB2 PRO 92 1HB PRO 92 2.920 -10.346 1.359 651 HB3 PRO 92 2HB PRO 92 3.649 -11.230 0.013 652 HG2 PRO 92 1HG PRO 92 4.977 -9.657 2.187 653 HG3 PRO 92 2HG PRO 92 5.428 -11.233 1.511 654 HD2 PRO 92 1HD PRO 92 6.667 -8.933 0.798 655 HD3 PRO 92 2HD PRO 92 6.456 -10.292 -0.325 656 H TYR 93 H TYR 93 1.149 -8.536 -0.329 657 HA TYR 93 HA TYR 93 1.188 -5.916 0.702 658 HB2 TYR 93 1HB TYR 93 -1.106 -7.887 0.615 659 HB3 TYR 93 2HB TYR 93 -1.255 -6.151 0.869 660 HD1 TYR 93 1HD TYR 93 0.159 -4.789 -1.065 661 HD2 TYR 93 2HD TYR 93 -1.705 -8.590 -1.489 662 HE1 TYR 93 1HE TYR 93 0.016 -4.441 -3.496 663 HE2 TYR 93 2HE TYR 93 -1.852 -8.253 -3.921 664 HH TYR 93 HH TYR 93 -0.577 -5.310 -5.449 665 H SER 94 H SER 94 0.133 -5.186 2.703 666 HA SER 94 HA SER 94 1.072 -6.771 4.954 667 HB2 SER 94 1HB SER 94 1.709 -4.609 5.375 668 HB3 SER 94 2HB SER 94 0.332 -3.923 4.514 669 HG SER 94 HG SER 94 -0.913 -4.165 6.273 670 H LYS 95 H LYS 95 -0.387 -6.598 6.989 671 HA LYS 95 HA LYS 95 -2.557 -8.231 6.739 672 HB2 LYS 95 1HB LYS 95 -1.348 -7.221 8.849 673 HB3 LYS 95 2HB LYS 95 -2.669 -6.061 8.797 674 HG2 LYS 95 1HG LYS 95 -3.455 -7.679 10.245 675 HG3 LYS 95 2HG LYS 95 -4.193 -8.141 8.709 676 HD2 LYS 95 1HD LYS 95 -3.376 -10.155 9.552 677 HD3 LYS 95 2HD LYS 95 -2.125 -9.648 8.415 678 HE2 LYS 95 1HE LYS 95 -0.686 -8.965 10.137 679 HE3 LYS 95 2HE LYS 95 -1.982 -8.951 11.332 680 HZ1 LYS 95 1HZ LYS 95 -2.106 -11.441 10.898 681 HZ2 LYS 95 2HZ LYS 95 -0.783 -10.876 11.786 682 HZ3 LYS 95 3HZ LYS 95 -0.596 -11.279 10.154 683 H THR 96 H THR 96 -4.750 -8.019 6.452 684 HA THR 96 HA THR 96 -5.659 -5.933 4.793 685 HB THR 96 HB THR 96 -7.274 -7.941 6.378 686 HG1 THR 96 1HG THR 96 -6.990 -8.183 3.633 687 HG21 THR 96 1HG2 THR 96 -8.367 -5.753 5.403 688 HG22 THR 96 2HG2 THR 96 -9.163 -7.316 5.223 689 HG23 THR 96 3HG2 THR 96 -8.247 -6.633 3.880 690 H LEU 97 H LEU 97 -5.957 -3.897 5.411 691 HA LEU 97 HA LEU 97 -6.778 -3.312 8.152 692 HB2 LEU 97 1HB LEU 97 -4.938 -2.016 7.456 693 HB3 LEU 97 2HB LEU 97 -5.691 -1.639 5.908 694 HG LEU 97 HG LEU 97 -7.456 -0.422 7.440 695 HD11 LEU 97 1HD1 LEU 97 -6.868 -0.705 9.604 696 HD12 LEU 97 2HD1 LEU 97 -5.838 0.684 9.262 697 HD13 LEU 97 3HD1 LEU 97 -5.161 -0.944 9.226 698 HD21 LEU 97 1HD2 LEU 97 -6.572 1.174 6.167 699 HD22 LEU 97 2HD2 LEU 97 -5.005 0.367 6.118 700 HD23 LEU 97 3HD2 LEU 97 -5.402 1.444 7.458 701 H VAL 98 H VAL 98 -8.900 -3.322 8.499 702 HA VAL 98 HA VAL 98 -10.771 -2.650 6.390 703 HB VAL 98 HB VAL 98 -11.444 -3.258 9.265 704 HG11 VAL 98 1HG1 VAL 98 -13.216 -4.185 7.144 705 HG12 VAL 98 2HG1 VAL 98 -13.583 -3.282 8.615 706 HG13 VAL 98 3HG1 VAL 98 -13.023 -2.432 7.175 707 HG21 VAL 98 1HG2 VAL 98 -11.077 -5.454 8.994 708 HG22 VAL 98 2HG2 VAL 98 -11.679 -5.449 7.336 709 HG23 VAL 98 3HG2 VAL 98 -10.019 -4.958 7.673 710 H LEU 99 H LEU 99 -11.675 -0.723 6.086 711 HA LEU 99 HA LEU 99 -11.472 1.270 8.248 712 HB2 LEU 99 1HB LEU 99 -11.448 1.735 5.269 713 HB3 LEU 99 2HB LEU 99 -11.375 2.988 6.506 714 HG LEU 99 HG LEU 99 -9.218 1.627 7.233 715 HD11 LEU 99 1HD1 LEU 99 -8.363 0.199 5.756 716 HD12 LEU 99 2HD1 LEU 99 -8.656 1.297 4.407 717 HD13 LEU 99 3HD1 LEU 99 -9.940 0.224 4.965 718 HD21 LEU 99 1HD2 LEU 99 -9.403 3.597 4.959 719 HD22 LEU 99 2HD2 LEU 99 -7.901 3.149 5.768 720 HD23 LEU 99 3HD2 LEU 99 -9.183 3.957 6.672 721 H GLN 100 H GLN 100 -13.573 0.258 8.882 722 HA GLN 100 HA GLN 100 -15.900 0.208 7.473 723 HB2 GLN 100 1HB GLN 100 -15.323 0.856 10.341 724 HB3 GLN 100 2HB GLN 100 -16.972 0.953 9.739 725 HG2 GLN 100 1HG GLN 100 -16.958 -1.187 10.496 726 HG3 GLN 100 2HG GLN 100 -16.432 -1.455 8.835 727 HE21 GLN 100 1HE2 GLN 100 -15.910 -3.328 10.725 728 HE22 GLN 100 2HE2 GLN 100 -14.220 -3.364 11.079 729 H THR 101 H THR 101 -17.087 1.638 6.405 730 HA THR 101 HA THR 101 -16.575 4.494 6.839 731 HB THR 101 HB THR 101 -17.859 4.737 4.645 732 HG1 THR 101 1HG THR 101 -18.267 2.932 3.492 733 HG21 THR 101 1HG2 THR 101 -15.911 4.210 3.298 734 HG22 THR 101 2HG2 THR 101 -15.284 3.161 4.570 735 HG23 THR 101 3HG2 THR 101 -15.399 4.900 4.838 736 H SER 102 H SER 102 -18.072 5.802 7.681 737 HA SER 102 HA SER 102 -20.628 4.657 8.465 738 HB2 SER 102 1HB SER 102 -19.017 7.026 9.278 739 HB3 SER 102 2HB SER 102 -20.765 7.121 9.489 740 HG SER 102 HG SER 102 -19.462 4.811 10.362 741 H GLU 103 H GLU 103 -22.571 6.176 8.327 742 HA GLU 103 HA GLU 103 -23.297 6.549 5.684 743 HB2 GLU 103 1HB GLU 103 -25.172 7.911 6.559 744 HB3 GLU 103 2HB GLU 103 -24.956 6.403 7.436 745 HG2 GLU 103 1HG GLU 103 -23.668 7.708 9.153 746 HG3 GLU 103 2HG GLU 103 -24.197 9.170 8.323 747 H GLY 104 H GLY 104 -23.852 8.571 4.555 748 HA2 GLY 104 1HA GLY 104 -21.840 10.662 5.115 749 HA3 GLY 104 2HA GLY 104 -22.342 10.201 3.495 750 H SER 105 H SER 105 -23.422 11.839 2.627 751 HA SER 105 HA SER 105 -24.786 13.661 2.411 752 HB2 SER 105 1HB SER 105 -26.357 11.642 2.593 753 HB3 SER 105 2HB SER 105 -26.667 12.177 4.244 754 HG SER 105 HG SER 105 -28.191 13.039 2.782 755 H GLY 106 H GLY 106 -22.878 14.092 4.360 756 HA2 GLY 106 1HA GLY 106 -23.903 14.922 6.856 757 HA3 GLY 106 2HA GLY 106 -22.380 15.442 6.150 758 HA PRO 107 HA PRO 107 -25.902 18.730 5.953 759 HB2 PRO 107 1HB PRO 107 -25.649 19.941 8.370 760 HB3 PRO 107 2HB PRO 107 -26.772 18.607 8.076 761 HG2 PRO 107 1HG PRO 107 -24.053 18.554 9.328 762 HG3 PRO 107 2HG PRO 107 -25.533 17.715 9.830 763 HD2 PRO 107 1HD PRO 107 -23.556 16.482 8.451 764 HD3 PRO 107 2HD PRO 107 -25.266 16.043 8.266 765 H SER 108 H SER 108 -25.517 21.173 6.367 766 HA SER 108 HA SER 108 -22.810 21.755 5.460 767 HB2 SER 108 1HB SER 108 -25.282 23.497 5.600 768 HB3 SER 108 2HB SER 108 -23.729 24.006 4.938 769 HG SER 108 HG SER 108 -23.970 22.616 3.270 770 H SER 109 H SER 109 -21.294 22.641 6.700 771 HA SER 109 HA SER 109 -21.940 23.324 9.445 772 HB2 SER 109 1HB SER 109 -19.321 23.090 7.954 773 HB3 SER 109 2HB SER 109 -19.431 23.586 9.643 774 HG SER 109 HG SER 109 -19.370 21.514 10.000 775 H GLY 110 H GLY 110 -23.081 25.109 7.649 776 HA2 GLY 110 1HA GLY 110 -21.717 27.370 6.915 777 HA3 GLY 110 2HA GLY 110 -23.381 27.385 7.480 Start of MODEL 13 1 H1 GLY 1 H GLY 1 23.878 -8.072 -15.200 2 HA2 GLY 1 1HA GLY 1 25.889 -8.953 -13.791 3 HA3 GLY 1 2HA GLY 1 25.919 -7.276 -14.316 4 H SER 2 H SER 2 27.221 -8.346 -12.007 5 HA SER 2 HA SER 2 26.458 -6.414 -10.091 6 HB2 SER 2 1HB SER 2 24.697 -8.356 -9.891 7 HB3 SER 2 2HB SER 2 25.996 -9.177 -9.027 8 HG SER 2 HG SER 2 24.768 -8.030 -7.551 9 H SER 3 H SER 3 28.297 -5.868 -9.143 10 HA SER 3 HA SER 3 30.659 -7.411 -9.402 11 HB2 SER 3 1HB SER 3 30.671 -4.944 -9.263 12 HB3 SER 3 2HB SER 3 30.127 -5.044 -7.588 13 HG SER 3 HG SER 3 32.056 -5.905 -7.004 14 H GLY 4 H GLY 4 28.243 -7.108 -6.902 15 HA2 GLY 4 1HA GLY 4 29.607 -9.247 -5.416 16 HA3 GLY 4 2HA GLY 4 29.106 -7.796 -4.558 17 H SER 5 H SER 5 27.176 -7.842 -3.623 18 HA SER 5 HA SER 5 25.213 -9.815 -4.595 19 HB2 SER 5 1HB SER 5 24.394 -9.929 -2.239 20 HB3 SER 5 2HB SER 5 26.053 -10.496 -2.425 21 HG SER 5 HG SER 5 26.738 -8.420 -1.700 22 H SER 6 H SER 6 22.966 -9.259 -4.316 23 HA SER 6 HA SER 6 22.521 -6.345 -4.326 24 HB2 SER 6 1HB SER 6 21.247 -8.548 -5.939 25 HB3 SER 6 2HB SER 6 20.456 -6.986 -5.732 26 HG SER 6 HG SER 6 22.192 -7.551 -7.538 27 H GLY 7 H GLY 7 21.366 -5.598 -2.683 28 HA2 GLY 7 1HA GLY 7 20.338 -7.015 -0.591 29 HA3 GLY 7 2HA GLY 7 19.715 -5.446 -1.081 30 HA PRO 8 HA PRO 8 16.749 -9.148 -1.970 31 HB2 PRO 8 1HB PRO 8 15.476 -9.424 0.412 32 HB3 PRO 8 2HB PRO 8 16.908 -10.363 -0.027 33 HG2 PRO 8 1HG PRO 8 16.700 -7.911 1.678 34 HG3 PRO 8 2HG PRO 8 17.655 -9.381 1.945 35 HD2 PRO 8 1HD PRO 8 18.736 -7.098 0.970 36 HD3 PRO 8 2HD PRO 8 19.326 -8.707 0.507 37 H VAL 9 H VAL 9 14.267 -9.048 -1.538 38 HA VAL 9 HA VAL 9 13.260 -6.681 -2.545 39 HB VAL 9 HB VAL 9 11.025 -7.476 -1.615 40 HG11 VAL 9 1HG1 VAL 9 11.354 -8.057 -3.817 41 HG12 VAL 9 2HG1 VAL 9 12.788 -9.021 -3.462 42 HG13 VAL 9 3HG1 VAL 9 11.185 -9.644 -3.069 43 HG21 VAL 9 1HG2 VAL 9 12.585 -9.945 -0.887 44 HG22 VAL 9 2HG2 VAL 9 12.116 -8.721 0.293 45 HG23 VAL 9 3HG2 VAL 9 10.878 -9.611 -0.594 46 HA PRO 10 HA PRO 10 12.981 -3.812 0.766 47 HB2 PRO 10 1HB PRO 10 10.707 -2.479 0.118 48 HB3 PRO 10 2HB PRO 10 12.220 -2.289 -0.776 49 HG2 PRO 10 1HG PRO 10 9.826 -3.960 -1.439 50 HG3 PRO 10 2HG PRO 10 10.807 -2.937 -2.505 51 HD2 PRO 10 1HD PRO 10 11.100 -5.627 -2.391 52 HD3 PRO 10 2HD PRO 10 12.457 -4.531 -2.724 53 H ALA 11 H ALA 11 12.477 -4.304 2.800 54 HA ALA 11 HA ALA 11 10.668 -6.110 3.732 55 HB1 ALA 11 1HB ALA 11 12.434 -4.413 4.902 56 HB2 ALA 11 2HB ALA 11 10.898 -3.756 5.468 57 HB3 ALA 11 3HB ALA 11 11.303 -5.444 5.779 58 H THR 12 H THR 12 8.539 -6.163 4.312 59 HA THR 12 HA THR 12 6.744 -4.446 2.973 60 HB THR 12 HB THR 12 6.225 -6.398 5.223 61 HG1 THR 12 1HG THR 12 5.775 -6.665 2.422 62 HG21 THR 12 1HG2 THR 12 4.159 -5.411 3.287 63 HG22 THR 12 2HG2 THR 12 4.499 -4.520 4.771 64 HG23 THR 12 3HG2 THR 12 3.935 -6.189 4.853 65 HA PRO 13 HA PRO 13 6.452 -1.069 5.798 66 HB2 PRO 13 1HB PRO 13 4.086 -0.049 4.944 67 HB3 PRO 13 2HB PRO 13 5.592 0.125 4.034 68 HG2 PRO 13 1HG PRO 13 3.354 -1.822 3.637 69 HG3 PRO 13 2HG PRO 13 4.263 -0.900 2.425 70 HD2 PRO 13 1HD PRO 13 4.776 -3.505 2.960 71 HD3 PRO 13 2HD PRO 13 6.043 -2.365 2.463 72 H ILE 14 H ILE 14 5.098 -0.242 7.518 73 HA ILE 14 HA ILE 14 3.479 -2.362 8.730 74 HB ILE 14 HB ILE 14 4.338 0.163 10.115 75 HG12 ILE 14 1HG1 ILE 14 6.344 -0.894 9.133 76 HG13 ILE 14 2HG1 ILE 14 6.343 -0.991 10.891 77 HG21 ILE 14 1HG2 ILE 14 2.979 -0.820 11.618 78 HG22 ILE 14 2HG2 ILE 14 3.128 -2.409 10.870 79 HG23 ILE 14 3HG2 ILE 14 4.393 -1.821 11.949 80 HD11 ILE 14 1HD1 ILE 14 6.494 -3.195 10.823 81 HD12 ILE 14 2HD1 ILE 14 5.095 -3.314 9.755 82 HD13 ILE 14 3HD1 ILE 14 6.705 -3.070 9.077 83 H LEU 15 H LEU 15 1.339 -2.214 8.851 84 HA LEU 15 HA LEU 15 0.010 0.158 7.868 85 HB2 LEU 15 1HB LEU 15 -0.582 -2.369 7.501 86 HB3 LEU 15 2HB LEU 15 -1.444 -2.175 9.026 87 HG LEU 15 HG LEU 15 -3.003 -1.908 7.234 88 HD11 LEU 15 1HD1 LEU 15 -3.970 0.140 7.818 89 HD12 LEU 15 2HD1 LEU 15 -2.406 0.893 8.127 90 HD13 LEU 15 3HD1 LEU 15 -3.032 -0.326 9.237 91 HD21 LEU 15 1HD2 LEU 15 -0.907 -0.099 6.111 92 HD22 LEU 15 2HD2 LEU 15 -2.601 0.136 5.680 93 HD23 LEU 15 3HD2 LEU 15 -1.805 -1.398 5.327 94 H GLN 16 H GLN 16 0.152 1.778 9.355 95 HA GLN 16 HA GLN 16 -1.197 1.291 11.924 96 HB2 GLN 16 1HB GLN 16 0.444 3.237 12.680 97 HB3 GLN 16 2HB GLN 16 0.913 1.544 12.763 98 HG2 GLN 16 1HG GLN 16 2.392 1.720 11.044 99 HG3 GLN 16 2HG GLN 16 1.494 3.018 10.258 100 HE21 GLN 16 1HE2 GLN 16 1.799 5.140 10.935 101 HE22 GLN 16 2HE2 GLN 16 3.156 5.612 11.894 102 H LEU 17 H LEU 17 -3.073 2.091 10.748 103 HA LEU 17 HA LEU 17 -3.377 4.484 9.464 104 HB2 LEU 17 1HB LEU 17 -5.079 2.597 10.116 105 HB3 LEU 17 2HB LEU 17 -5.444 3.680 11.458 106 HG LEU 17 HG LEU 17 -7.016 3.935 9.590 107 HD11 LEU 17 1HD1 LEU 17 -7.135 6.235 9.708 108 HD12 LEU 17 2HD1 LEU 17 -5.385 6.437 9.650 109 HD13 LEU 17 3HD1 LEU 17 -6.156 5.848 11.123 110 HD21 LEU 17 1HD2 LEU 17 -4.988 5.272 7.904 111 HD22 LEU 17 2HD2 LEU 17 -6.422 4.354 7.445 112 HD23 LEU 17 3HD2 LEU 17 -4.954 3.509 7.940 113 H GLU 18 H GLU 18 -3.435 6.596 9.985 114 HA GLU 18 HA GLU 18 -3.029 7.288 12.817 115 HB2 GLU 18 1HB GLU 18 -1.201 7.836 11.152 116 HB3 GLU 18 2HB GLU 18 -2.314 8.990 10.430 117 HG2 GLU 18 1HG GLU 18 -1.095 10.331 11.832 118 HG3 GLU 18 2HG GLU 18 -2.486 9.937 12.839 119 H GLU 19 H GLU 19 -4.242 8.945 9.899 120 HA GLU 19 HA GLU 19 -6.152 10.417 11.502 121 HB2 GLU 19 1HB GLU 19 -4.935 11.531 9.674 122 HB3 GLU 19 2HB GLU 19 -5.677 10.436 8.516 123 HG2 GLU 19 1HG GLU 19 -6.996 12.295 8.303 124 HG3 GLU 19 2HG GLU 19 -7.908 11.351 9.480 125 H CYS 20 H CYS 20 -7.724 9.039 12.209 126 HA CYS 20 HA CYS 20 -9.115 7.373 10.246 127 HB2 CYS 20 1HB CYS 20 -8.390 6.353 12.392 128 HB3 CYS 20 2HB CYS 20 -9.444 7.470 13.251 129 HG CYS 20 HG CYS 20 -10.833 5.489 10.880 130 H CYS 21 H CYS 21 -9.777 9.876 12.673 131 HA CYS 21 HA CYS 21 -12.524 10.130 11.783 132 HB2 CYS 21 1HB CYS 21 -10.928 11.636 13.864 133 HB3 CYS 21 2HB CYS 21 -12.629 11.929 13.522 134 HG CYS 21 HG CYS 21 -13.216 9.123 14.130 135 H THR 22 H THR 22 -12.589 10.973 9.757 136 HA THR 22 HA THR 22 -11.440 13.665 9.422 137 HB THR 22 HB THR 22 -11.672 11.595 7.230 138 HG1 THR 22 1HG THR 22 -9.531 11.228 7.517 139 HG21 THR 22 1HG2 THR 22 -9.853 13.827 6.832 140 HG22 THR 22 2HG2 THR 22 -11.519 14.356 7.062 141 HG23 THR 22 3HG2 THR 22 -11.127 13.210 5.781 142 H HIS 23 H HIS 23 -12.888 15.179 8.946 143 HA HIS 23 HA HIS 23 -15.607 14.823 8.869 144 HB2 HIS 23 1HB HIS 23 -13.987 16.994 7.523 145 HB3 HIS 23 2HB HIS 23 -15.725 17.067 7.795 146 HD1 HIS 23 1HD HIS 23 -12.493 17.687 9.419 147 HD2 HIS 23 2HD HIS 23 -16.456 17.239 10.582 148 HE1 HIS 23 1HE HIS 23 -12.610 18.581 11.767 149 HE2 HIS 23 2HE HIS 23 -14.999 18.220 12.480 150 H ASN 24 H ASN 24 -13.345 14.819 6.156 151 HA ASN 24 HA ASN 24 -15.492 14.375 4.250 152 HB2 ASN 24 1HB ASN 24 -12.502 14.666 3.950 153 HB3 ASN 24 2HB ASN 24 -13.564 14.281 2.599 154 HD21 ASN 24 1HD2 ASN 24 -15.401 15.812 2.279 155 HD22 ASN 24 2HD2 ASN 24 -15.078 17.494 2.508 156 H ASN 25 H ASN 25 -14.942 12.612 2.525 157 HA ASN 25 HA ASN 25 -14.710 10.107 3.996 158 HB2 ASN 25 1HB ASN 25 -15.588 9.066 1.948 159 HB3 ASN 25 2HB ASN 25 -16.622 10.385 2.489 160 HD21 ASN 25 1HD2 ASN 25 -17.205 9.902 0.108 161 HD22 ASN 25 2HD2 ASN 25 -16.430 10.916 -1.056 162 H SER 26 H SER 26 -12.307 10.913 4.150 163 HA SER 26 HA SER 26 -10.837 9.466 2.061 164 HB2 SER 26 1HB SER 26 -9.027 11.217 2.233 165 HB3 SER 26 2HB SER 26 -10.518 11.771 1.471 166 HG SER 26 HG SER 26 -9.505 12.354 4.032 167 H ALA 27 H ALA 27 -9.014 8.369 2.750 168 HA ALA 27 HA ALA 27 -8.575 8.333 5.666 169 HB1 ALA 27 1HB ALA 27 -8.803 6.116 5.731 170 HB2 ALA 27 2HB ALA 27 -9.525 6.254 4.127 171 HB3 ALA 27 3HB ALA 27 -7.807 5.888 4.293 172 H THR 28 H THR 28 -6.579 8.782 6.328 173 HA THR 28 HA THR 28 -4.414 8.759 4.330 174 HB THR 28 HB THR 28 -4.503 10.372 6.884 175 HG1 THR 28 1HG THR 28 -6.071 11.208 5.538 176 HG21 THR 28 1HG2 THR 28 -2.261 9.818 5.885 177 HG22 THR 28 2HG2 THR 28 -2.615 11.541 6.007 178 HG23 THR 28 3HG2 THR 28 -2.754 10.721 4.453 179 H LEU 29 H LEU 29 -2.992 7.174 4.560 180 HA LEU 29 HA LEU 29 -2.493 6.108 7.261 181 HB2 LEU 29 1HB LEU 29 -1.590 4.133 5.704 182 HB3 LEU 29 2HB LEU 29 -3.254 4.232 6.275 183 HG LEU 29 HG LEU 29 -2.614 5.498 3.665 184 HD11 LEU 29 1HD1 LEU 29 -2.963 3.304 2.540 185 HD12 LEU 29 2HD1 LEU 29 -2.765 2.523 4.109 186 HD13 LEU 29 3HD1 LEU 29 -1.431 3.437 3.405 187 HD21 LEU 29 1HD2 LEU 29 -4.923 3.723 4.007 188 HD22 LEU 29 2HD2 LEU 29 -4.831 5.356 3.347 189 HD23 LEU 29 3HD2 LEU 29 -4.893 5.112 5.093 190 H SER 30 H SER 30 -0.512 6.349 8.056 191 HA SER 30 HA SER 30 1.644 7.120 6.206 192 HB2 SER 30 1HB SER 30 2.705 8.224 8.123 193 HB3 SER 30 2HB SER 30 1.067 8.832 7.884 194 HG SER 30 HG SER 30 0.484 7.164 9.515 195 H TRP 31 H TRP 31 1.670 4.669 5.905 196 HA TRP 31 HA TRP 31 2.539 2.912 7.884 197 HB2 TRP 31 1HB TRP 31 3.437 1.551 5.957 198 HB3 TRP 31 2HB TRP 31 1.746 2.023 5.814 199 HD1 TRP 31 HD TRP 31 5.092 2.384 4.111 200 HE1 TRP 31 1HE TRP 31 4.797 3.696 1.916 201 HE3 TRP 31 3HE TRP 31 0.273 3.966 4.752 202 HZ2 TRP 31 2HZ TRP 31 2.788 5.203 0.628 203 HZ3 TRP 31 3HZ TRP 31 -0.762 5.339 2.992 204 HH2 TRP 31 HH TRP 31 0.472 5.945 0.974 205 H LYS 32 H LYS 32 4.704 1.841 7.977 206 HA LYS 32 HA LYS 32 6.946 3.590 7.314 207 HB2 LYS 32 1HB LYS 32 7.831 3.626 9.537 208 HB3 LYS 32 2HB LYS 32 6.162 4.175 9.624 209 HG2 LYS 32 1HG LYS 32 5.436 2.170 10.596 210 HG3 LYS 32 2HG LYS 32 6.919 1.321 10.153 211 HD2 LYS 32 1HD LYS 32 8.096 3.044 11.667 212 HD3 LYS 32 2HD LYS 32 6.483 3.360 12.310 213 HE2 LYS 32 1HE LYS 32 6.426 0.731 12.511 214 HE3 LYS 32 2HE LYS 32 8.179 0.921 12.525 215 HZ1 LYS 32 1HZ LYS 32 7.722 1.090 14.736 216 HZ2 LYS 32 2HZ LYS 32 6.199 1.788 14.501 217 HZ3 LYS 32 3HZ LYS 32 7.596 2.723 14.312 218 H GLN 33 H GLN 33 9.037 2.378 8.314 219 HA GLN 33 HA GLN 33 8.915 -0.305 7.149 220 HB2 GLN 33 1HB GLN 33 11.099 1.691 7.581 221 HB3 GLN 33 2HB GLN 33 11.513 -0.012 7.441 222 HG2 GLN 33 1HG GLN 33 9.997 0.152 5.293 223 HG3 GLN 33 2HG GLN 33 10.436 1.855 5.403 224 HE21 GLN 33 1HE2 GLN 33 11.141 -0.264 3.450 225 HE22 GLN 33 2HE2 GLN 33 12.868 -0.260 3.385 226 HA PRO 34 HA PRO 34 9.226 -2.280 11.068 227 HB2 PRO 34 1HB PRO 34 10.321 -4.636 10.280 228 HB3 PRO 34 2HB PRO 34 8.633 -4.212 9.974 229 HG2 PRO 34 1HG PRO 34 10.990 -4.049 8.136 230 HG3 PRO 34 2HG PRO 34 9.347 -4.626 7.800 231 HD2 PRO 34 1HD PRO 34 10.198 -2.156 7.089 232 HD3 PRO 34 2HD PRO 34 8.515 -2.492 7.544 233 HA PRO 35 HA PRO 35 13.335 -1.452 12.485 234 HB2 PRO 35 1HB PRO 35 13.144 -2.645 14.916 235 HB3 PRO 35 2HB PRO 35 12.382 -1.094 14.545 236 HG2 PRO 35 1HG PRO 35 11.173 -3.832 14.606 237 HG3 PRO 35 2HG PRO 35 10.520 -2.306 15.232 238 HD2 PRO 35 1HD PRO 35 9.733 -3.368 12.868 239 HD3 PRO 35 2HD PRO 35 9.800 -1.617 13.154 240 H LEU 36 H LEU 36 12.027 -4.609 12.053 241 HA LEU 36 HA LEU 36 14.611 -5.889 12.553 242 HB2 LEU 36 1HB LEU 36 11.947 -7.124 11.875 243 HB3 LEU 36 2HB LEU 36 13.409 -7.993 12.336 244 HG LEU 36 HG LEU 36 11.913 -6.091 14.136 245 HD11 LEU 36 1HD1 LEU 36 11.709 -9.042 13.719 246 HD12 LEU 36 2HD1 LEU 36 10.430 -7.849 13.944 247 HD13 LEU 36 3HD1 LEU 36 11.420 -8.349 15.315 248 HD21 LEU 36 1HD2 LEU 36 13.289 -7.261 15.883 249 HD22 LEU 36 2HD2 LEU 36 14.193 -6.212 14.791 250 HD23 LEU 36 3HD2 LEU 36 14.232 -7.962 14.568 251 H SER 37 H SER 37 14.269 -4.127 10.292 252 HA SER 37 HA SER 37 15.176 -5.939 8.223 253 HB2 SER 37 1HB SER 37 12.559 -5.518 8.119 254 HB3 SER 37 2HB SER 37 13.064 -4.016 7.345 255 HG SER 37 HG SER 37 12.942 -6.473 6.302 256 H THR 38 H THR 38 16.706 -5.031 6.968 257 HA THR 38 HA THR 38 17.073 -2.112 7.157 258 HB THR 38 HB THR 38 19.536 -2.538 6.955 259 HG1 THR 38 1HG THR 38 20.063 -4.793 7.717 260 HG21 THR 38 1HG2 THR 38 18.645 -3.960 9.414 261 HG22 THR 38 2HG2 THR 38 18.089 -2.306 9.159 262 HG23 THR 38 3HG2 THR 38 19.816 -2.656 9.226 263 H VAL 39 H VAL 39 15.575 -2.917 5.124 264 HA VAL 39 HA VAL 39 17.400 -2.900 2.807 265 HB VAL 39 HB VAL 39 14.605 -4.020 2.737 266 HG11 VAL 39 1HG1 VAL 39 16.234 -3.292 0.706 267 HG12 VAL 39 2HG1 VAL 39 16.707 -4.979 0.915 268 HG13 VAL 39 3HG1 VAL 39 15.022 -4.568 0.593 269 HG21 VAL 39 1HG2 VAL 39 15.500 -6.232 2.996 270 HG22 VAL 39 2HG2 VAL 39 17.148 -5.607 3.072 271 HG23 VAL 39 3HG2 VAL 39 16.013 -5.260 4.376 272 HA PRO 40 HA PRO 40 15.475 1.038 2.048 273 HB2 PRO 40 1HB PRO 40 16.740 1.529 -0.302 274 HB3 PRO 40 2HB PRO 40 17.528 1.712 1.269 275 HG2 PRO 40 1HG PRO 40 17.683 -0.559 -0.674 276 HG3 PRO 40 2HG PRO 40 18.982 0.204 0.260 277 HD2 PRO 40 1HD PRO 40 17.842 -2.139 0.996 278 HD3 PRO 40 2HD PRO 40 18.464 -0.967 2.176 279 H ALA 41 H ALA 41 13.789 1.791 0.823 280 HA ALA 41 HA ALA 41 12.731 -0.058 -1.213 281 HB1 ALA 41 1HB ALA 41 10.996 1.930 0.181 282 HB2 ALA 41 2HB ALA 41 10.577 0.367 -0.521 283 HB3 ALA 41 3HB ALA 41 11.454 0.440 1.008 284 H ASP 42 H ASP 42 12.160 0.711 -3.192 285 HA ASP 42 HA ASP 42 13.095 3.377 -3.869 286 HB2 ASP 42 1HB ASP 42 12.347 0.929 -5.413 287 HB3 ASP 42 2HB ASP 42 12.306 2.489 -6.230 288 H GLY 43 H GLY 43 10.108 1.669 -3.417 289 HA2 GLY 43 1HA GLY 43 8.566 4.020 -3.308 290 HA3 GLY 43 2HA GLY 43 8.371 3.298 -4.899 291 H TYR 44 H TYR 44 6.435 3.665 -2.700 292 HA TYR 44 HA TYR 44 5.807 0.859 -2.086 293 HB2 TYR 44 1HB TYR 44 4.649 3.349 -0.822 294 HB3 TYR 44 2HB TYR 44 4.404 1.688 -0.292 295 HD1 TYR 44 2HD TYR 44 6.947 4.362 -0.631 296 HD2 TYR 44 1HD TYR 44 5.936 0.642 1.169 297 HE1 TYR 44 2HE TYR 44 8.902 4.553 0.849 298 HE2 TYR 44 1HE TYR 44 7.887 0.824 2.655 299 HH TYR 44 HH TYR 44 10.408 2.797 2.146 300 H ILE 45 H ILE 45 3.566 0.182 -2.229 301 HA ILE 45 HA ILE 45 1.941 1.754 -4.105 302 HB ILE 45 HB ILE 45 2.537 -1.196 -4.348 303 HG12 ILE 45 1HG1 ILE 45 2.993 1.042 -6.329 304 HG13 ILE 45 2HG1 ILE 45 4.235 0.433 -5.241 305 HG21 ILE 45 1HG2 ILE 45 0.429 -1.315 -5.109 306 HG22 ILE 45 2HG2 ILE 45 0.299 0.431 -5.316 307 HG23 ILE 45 3HG2 ILE 45 1.086 -0.548 -6.554 308 HD11 ILE 45 1HD1 ILE 45 2.860 -1.579 -6.895 309 HD12 ILE 45 2HD1 ILE 45 3.904 -0.439 -7.745 310 HD13 ILE 45 3HD1 ILE 45 4.560 -1.437 -6.448 311 H LEU 46 H LEU 46 -0.108 1.962 -3.477 312 HA LEU 46 HA LEU 46 -1.068 0.246 -1.295 313 HB2 LEU 46 1HB LEU 46 -1.542 3.065 -2.080 314 HB3 LEU 46 2HB LEU 46 -2.886 2.195 -1.344 315 HG LEU 46 HG LEU 46 -0.175 2.427 -0.053 316 HD11 LEU 46 1HD1 LEU 46 -2.510 4.286 -0.025 317 HD12 LEU 46 2HD1 LEU 46 -0.786 4.647 -0.091 318 HD13 LEU 46 3HD1 LEU 46 -1.514 4.103 1.420 319 HD21 LEU 46 1HD2 LEU 46 -1.531 0.596 0.761 320 HD22 LEU 46 2HD2 LEU 46 -2.906 1.677 0.988 321 HD23 LEU 46 3HD2 LEU 46 -1.458 1.871 1.977 322 H GLU 47 H GLU 47 -3.216 -0.568 -1.341 323 HA GLU 47 HA GLU 47 -4.612 -0.472 -3.907 324 HB2 GLU 47 1HB GLU 47 -3.404 -2.896 -2.658 325 HB3 GLU 47 2HB GLU 47 -4.952 -3.068 -3.473 326 HG2 GLU 47 1HG GLU 47 -3.885 -1.988 -5.481 327 HG3 GLU 47 2HG GLU 47 -2.342 -2.161 -4.646 328 H LEU 48 H LEU 48 -6.817 -0.738 -3.768 329 HA LEU 48 HA LEU 48 -8.047 -1.576 -1.288 330 HB2 LEU 48 1HB LEU 48 -7.839 0.603 -0.576 331 HB3 LEU 48 2HB LEU 48 -7.990 1.259 -2.205 332 HG LEU 48 HG LEU 48 -10.371 -0.038 -0.972 333 HD11 LEU 48 1HD1 LEU 48 -9.499 2.774 -0.329 334 HD12 LEU 48 2HD1 LEU 48 -9.451 1.417 0.795 335 HD13 LEU 48 3HD1 LEU 48 -10.998 1.990 0.171 336 HD21 LEU 48 1HD2 LEU 48 -9.896 2.273 -2.846 337 HD22 LEU 48 2HD2 LEU 48 -11.483 1.812 -2.229 338 HD23 LEU 48 3HD2 LEU 48 -10.569 0.690 -3.238 339 H ASP 49 H ASP 49 -10.129 -2.282 -1.552 340 HA ASP 49 HA ASP 49 -11.007 -2.639 -4.288 341 HB2 ASP 49 1HB ASP 49 -12.695 -4.129 -3.343 342 HB3 ASP 49 2HB ASP 49 -11.104 -4.516 -2.692 343 H ASP 50 H ASP 50 -13.411 -2.395 -4.737 344 HA ASP 50 HA ASP 50 -14.166 0.321 -4.021 345 HB2 ASP 50 1HB ASP 50 -15.008 -1.628 -6.131 346 HB3 ASP 50 2HB ASP 50 -16.085 -0.298 -5.713 347 H GLY 51 H GLY 51 -14.343 -1.520 -1.901 348 HA2 GLY 51 1HA GLY 51 -15.784 -2.205 -0.250 349 HA3 GLY 51 2HA GLY 51 -16.866 -0.964 -0.864 350 H ASN 52 H ASN 52 -15.915 -3.458 -3.039 351 HA ASN 52 HA ASN 52 -18.624 -4.585 -2.869 352 HB2 ASN 52 1HB ASN 52 -16.656 -4.291 -5.115 353 HB3 ASN 52 2HB ASN 52 -17.902 -5.533 -5.197 354 HD21 ASN 52 1HD2 ASN 52 -17.433 -3.053 -6.760 355 HD22 ASN 52 2HD2 ASN 52 -18.922 -2.181 -6.673 356 H GLY 53 H GLY 53 -15.228 -5.356 -2.705 357 HA2 GLY 53 1HA GLY 53 -14.345 -7.213 -1.563 358 HA3 GLY 53 2HA GLY 53 -15.912 -8.001 -1.678 359 H GLY 54 H GLY 54 -14.105 -6.549 -4.341 360 HA2 GLY 54 1HA GLY 54 -13.992 -9.226 -5.575 361 HA3 GLY 54 2HA GLY 54 -14.074 -7.714 -6.467 362 H GLN 55 H GLN 55 -12.238 -7.245 -7.455 363 HA GLN 55 HA GLN 55 -9.728 -8.292 -6.386 364 HB2 GLN 55 1HB GLN 55 -8.781 -7.833 -8.554 365 HB3 GLN 55 2HB GLN 55 -10.305 -8.684 -8.771 366 HG2 GLN 55 1HG GLN 55 -11.292 -6.289 -9.011 367 HG3 GLN 55 2HG GLN 55 -9.622 -5.843 -9.358 368 HE21 GLN 55 1HE2 GLN 55 -8.563 -6.933 -11.130 369 HE22 GLN 55 2HE2 GLN 55 -9.499 -7.483 -12.474 370 H PHE 56 H PHE 56 -8.050 -7.032 -5.724 371 HA PHE 56 HA PHE 56 -8.674 -4.279 -5.091 372 HB2 PHE 56 1HB PHE 56 -6.303 -6.040 -4.456 373 HB3 PHE 56 2HB PHE 56 -6.414 -4.354 -3.960 374 HD1 PHE 56 1HD PHE 56 -8.704 -7.306 -3.917 375 HD2 PHE 56 2HD PHE 56 -6.938 -4.096 -1.751 376 HE1 PHE 56 1HE PHE 56 -9.943 -7.987 -1.904 377 HE2 PHE 56 2HE PHE 56 -8.173 -4.772 0.266 378 HZ PHE 56 HZ PHE 56 -9.678 -6.721 0.192 379 H ARG 57 H ARG 57 -7.848 -2.492 -6.025 380 HA ARG 57 HA ARG 57 -5.928 -2.889 -8.226 381 HB2 ARG 57 1HB ARG 57 -6.989 -1.164 -9.462 382 HB3 ARG 57 2HB ARG 57 -8.278 -2.202 -8.869 383 HG2 ARG 57 1HG ARG 57 -7.526 0.148 -7.222 384 HG3 ARG 57 2HG ARG 57 -8.414 0.430 -8.721 385 HD2 ARG 57 1HD ARG 57 -10.076 -1.286 -7.927 386 HD3 ARG 57 2HD ARG 57 -9.247 -1.259 -6.371 387 HE ARG 57 HE ARG 57 -10.336 0.684 -5.900 388 HH11 ARG 57 2HH1 ARG 57 -10.300 0.250 -9.353 389 HH12 ARG 57 1HH1 ARG 57 -11.290 1.636 -9.669 390 HH21 ARG 57 2HH2 ARG 57 -11.640 2.512 -6.302 391 HH22 ARG 57 1HH2 ARG 57 -12.051 2.922 -7.933 392 H GLU 58 H GLU 58 -4.462 -1.118 -8.654 393 HA GLU 58 HA GLU 58 -3.275 -0.107 -6.284 394 HB2 GLU 58 1HB GLU 58 -2.765 0.260 -9.216 395 HB3 GLU 58 2HB GLU 58 -1.929 1.272 -8.047 396 HG2 GLU 58 1HG GLU 58 -0.413 -0.404 -8.267 397 HG3 GLU 58 2HG GLU 58 -1.373 -1.044 -6.935 398 H VAL 59 H VAL 59 -3.436 1.826 -5.300 399 HA VAL 59 HA VAL 59 -5.234 3.818 -6.522 400 HB VAL 59 HB VAL 59 -5.657 4.593 -4.170 401 HG11 VAL 59 1HG1 VAL 59 -7.423 3.137 -3.876 402 HG12 VAL 59 2HG1 VAL 59 -7.048 2.903 -5.585 403 HG13 VAL 59 3HG1 VAL 59 -6.489 1.732 -4.389 404 HG21 VAL 59 1HG2 VAL 59 -4.268 2.005 -3.478 405 HG22 VAL 59 2HG2 VAL 59 -3.694 3.631 -3.106 406 HG23 VAL 59 3HG2 VAL 59 -5.164 3.020 -2.347 407 H TYR 60 H TYR 60 -2.252 3.304 -4.731 408 HA TYR 60 HA TYR 60 -1.362 5.970 -5.566 409 HB2 TYR 60 1HB TYR 60 -1.727 6.575 -3.391 410 HB3 TYR 60 2HB TYR 60 -1.567 4.928 -2.792 411 HD1 TYR 60 2HD TYR 60 0.293 7.937 -3.828 412 HD2 TYR 60 1HD TYR 60 0.539 4.085 -2.038 413 HE1 TYR 60 2HE TYR 60 2.576 8.444 -3.065 414 HE2 TYR 60 1HE TYR 60 2.822 4.581 -1.269 415 HH TYR 60 HH TYR 60 4.729 6.204 -2.090 416 H VAL 61 H VAL 61 0.850 6.169 -5.943 417 HA VAL 61 HA VAL 61 2.640 3.965 -5.434 418 HB VAL 61 HB VAL 61 1.951 4.674 -8.289 419 HG11 VAL 61 1HG1 VAL 61 4.396 4.141 -7.643 420 HG12 VAL 61 2HG1 VAL 61 3.814 2.487 -7.445 421 HG13 VAL 61 3HG1 VAL 61 3.672 3.292 -9.009 422 HG21 VAL 61 1HG2 VAL 61 1.411 2.236 -6.612 423 HG22 VAL 61 2HG2 VAL 61 0.249 3.255 -7.461 424 HG23 VAL 61 3HG2 VAL 61 1.345 2.219 -8.375 425 H GLY 62 H GLY 62 4.526 4.845 -4.911 426 HA2 GLY 62 1HA GLY 62 5.949 6.679 -6.469 427 HA3 GLY 62 2HA GLY 62 5.090 7.591 -5.236 428 H LYS 63 H LYS 63 6.887 8.251 -4.109 429 HA LYS 63 HA LYS 63 8.341 6.111 -2.700 430 HB2 LYS 63 1HB LYS 63 10.278 7.791 -2.645 431 HB3 LYS 63 2HB LYS 63 9.962 6.966 -4.166 432 HG2 LYS 63 1HG LYS 63 8.670 9.600 -3.696 433 HG3 LYS 63 2HG LYS 63 10.395 9.557 -4.067 434 HD2 LYS 63 1HD LYS 63 8.359 8.113 -5.743 435 HD3 LYS 63 2HD LYS 63 8.784 9.802 -6.031 436 HE2 LYS 63 1HE LYS 63 10.826 7.594 -5.907 437 HE3 LYS 63 2HE LYS 63 10.033 8.082 -7.404 438 HZ1 LYS 63 1HZ LYS 63 11.718 9.798 -5.663 439 HZ2 LYS 63 2HZ LYS 63 10.887 10.341 -7.032 440 HZ3 LYS 63 3HZ LYS 63 12.130 9.205 -7.193 441 H GLU 64 H GLU 64 5.993 8.037 -2.140 442 HA GLU 64 HA GLU 64 6.938 9.684 0.013 443 HB2 GLU 64 1HB GLU 64 4.211 8.969 -1.035 444 HB3 GLU 64 2HB GLU 64 4.405 9.887 0.452 445 HG2 GLU 64 1HG GLU 64 5.932 11.395 -1.057 446 HG3 GLU 64 2HG GLU 64 4.981 10.676 -2.355 447 H THR 65 H THR 65 5.604 9.482 2.165 448 HA THR 65 HA THR 65 5.773 6.670 3.037 449 HB THR 65 HB THR 65 6.402 7.482 5.267 450 HG1 THR 65 1HG THR 65 6.248 9.538 5.740 451 HG21 THR 65 1HG2 THR 65 8.635 8.611 4.510 452 HG22 THR 65 2HG2 THR 65 8.061 8.217 2.890 453 HG23 THR 65 3HG2 THR 65 8.307 6.934 4.075 454 H MET 66 H MET 66 3.730 9.279 2.569 455 HA MET 66 HA MET 66 1.610 7.956 4.051 456 HB2 MET 66 1HB MET 66 2.506 9.528 5.692 457 HB3 MET 66 2HB MET 66 2.347 10.847 4.540 458 HG2 MET 66 1HG MET 66 -0.074 10.576 4.550 459 HG3 MET 66 2HG MET 66 0.078 9.239 5.688 460 HE1 MET 66 1HE MET 66 0.124 13.649 6.267 461 HE2 MET 66 2HE MET 66 1.808 13.177 6.040 462 HE3 MET 66 3HE MET 66 0.602 12.751 4.825 463 H CYS 67 H CYS 67 -0.075 7.807 2.736 464 HA CYS 67 HA CYS 67 -0.681 10.033 0.927 465 HB2 CYS 67 1HB CYS 67 0.582 7.967 -0.124 466 HB3 CYS 67 2HB CYS 67 -1.019 7.239 -0.083 467 HG CYS 67 HG CYS 67 0.207 9.577 -2.127 468 H THR 68 H THR 68 -2.831 10.414 0.591 469 HA THR 68 HA THR 68 -4.699 8.689 2.084 470 HB THR 68 HB THR 68 -4.333 11.084 2.915 471 HG1 THR 68 1HG THR 68 -7.002 10.386 2.204 472 HG21 THR 68 1HG2 THR 68 -5.676 12.802 1.753 473 HG22 THR 68 2HG2 THR 68 -5.975 11.657 0.445 474 HG23 THR 68 3HG2 THR 68 -4.335 12.219 0.767 475 H VAL 69 H VAL 69 -6.707 8.218 1.178 476 HA VAL 69 HA VAL 69 -6.824 8.554 -1.735 477 HB VAL 69 HB VAL 69 -6.913 6.244 -0.887 478 HG11 VAL 69 1HG1 VAL 69 -8.608 5.428 0.502 479 HG12 VAL 69 2HG1 VAL 69 -8.153 6.967 1.238 480 HG13 VAL 69 3HG1 VAL 69 -9.617 6.854 0.261 481 HG21 VAL 69 1HG2 VAL 69 -8.009 5.979 -2.808 482 HG22 VAL 69 2HG2 VAL 69 -9.502 6.031 -1.871 483 HG23 VAL 69 3HG2 VAL 69 -8.871 7.504 -2.606 484 H ASP 70 H ASP 70 -8.607 9.395 -2.766 485 HA ASP 70 HA ASP 70 -10.570 10.735 -1.023 486 HB2 ASP 70 1HB ASP 70 -9.592 12.536 -2.044 487 HB3 ASP 70 2HB ASP 70 -9.132 11.613 -3.473 488 H GLY 71 H GLY 71 -12.745 10.669 -1.565 489 HA2 GLY 71 1HA GLY 71 -14.644 10.024 -2.749 490 HA3 GLY 71 2HA GLY 71 -13.606 9.312 -3.975 491 H LEU 72 H LEU 72 -14.479 8.808 -0.555 492 HA LEU 72 HA LEU 72 -14.406 5.910 -1.068 493 HB2 LEU 72 1HB LEU 72 -14.043 7.484 1.472 494 HB3 LEU 72 2HB LEU 72 -14.238 5.733 1.436 495 HG LEU 72 HG LEU 72 -11.984 7.249 0.121 496 HD11 LEU 72 1HD1 LEU 72 -10.603 6.302 1.924 497 HD12 LEU 72 2HD1 LEU 72 -12.063 5.685 2.698 498 HD13 LEU 72 3HD1 LEU 72 -11.822 7.424 2.528 499 HD21 LEU 72 1HD2 LEU 72 -12.564 5.121 -0.967 500 HD22 LEU 72 2HD2 LEU 72 -12.375 4.292 0.578 501 HD23 LEU 72 3HD2 LEU 72 -10.984 5.062 -0.187 502 H HIS 73 H HIS 73 -16.249 4.805 -0.999 503 HA HIS 73 HA HIS 73 -18.739 6.099 -0.604 504 HB2 HIS 73 1HB HIS 73 -18.062 3.158 -0.802 505 HB3 HIS 73 2HB HIS 73 -19.697 3.812 -0.833 506 HD1 HIS 73 1HD HIS 73 -20.397 3.376 -3.186 507 HD2 HIS 73 2HD HIS 73 -16.645 5.147 -2.960 508 HE1 HIS 73 1HE HIS 73 -19.755 3.897 -5.561 509 HE2 HIS 73 2HE HIS 73 -17.445 4.889 -5.407 510 H PHE 74 H PHE 74 -20.362 5.597 0.981 511 HA PHE 74 HA PHE 74 -19.184 5.021 3.609 512 HB2 PHE 74 1HB PHE 74 -21.629 6.581 2.782 513 HB3 PHE 74 2HB PHE 74 -21.330 6.114 4.453 514 HD1 PHE 74 1HD PHE 74 -18.953 6.768 5.370 515 HD2 PHE 74 2HD PHE 74 -20.875 8.625 2.057 516 HE1 PHE 74 1HE PHE 74 -17.548 8.765 5.678 517 HE2 PHE 74 2HE PHE 74 -19.473 10.624 2.359 518 HZ PHE 74 HZ PHE 74 -17.807 10.696 4.171 519 H ASN 75 H ASN 75 -20.780 4.018 5.198 520 HA ASN 75 HA ASN 75 -21.821 2.089 5.831 521 HB2 ASN 75 1HB ASN 75 -23.515 3.126 3.580 522 HB3 ASN 75 2HB ASN 75 -23.933 1.612 4.376 523 HD21 ASN 75 1HD2 ASN 75 -23.815 1.819 6.867 524 HD22 ASN 75 2HD2 ASN 75 -24.623 3.199 7.522 525 H SER 76 H SER 76 -19.556 1.572 4.352 526 HA SER 76 HA SER 76 -20.165 -1.053 3.331 527 HB2 SER 76 1HB SER 76 -19.228 1.156 1.515 528 HB3 SER 76 2HB SER 76 -18.836 -0.528 1.171 529 HG SER 76 HG SER 76 -21.481 0.359 1.651 530 H THR 77 H THR 77 -18.571 -2.407 3.851 531 HA THR 77 HA THR 77 -16.284 -1.493 5.256 532 HB THR 77 HB THR 77 -16.495 -4.258 4.097 533 HG1 THR 77 1HG THR 77 -17.683 -3.651 6.572 534 HG21 THR 77 1HG2 THR 77 -14.586 -4.307 5.310 535 HG22 THR 77 2HG2 THR 77 -15.695 -4.517 6.665 536 HG23 THR 77 3HG2 THR 77 -15.051 -2.918 6.292 537 H TYR 78 H TYR 78 -14.290 -1.014 4.574 538 HA TYR 78 HA TYR 78 -13.598 -1.644 1.779 539 HB2 TYR 78 1HB TYR 78 -13.327 0.866 3.353 540 HB3 TYR 78 2HB TYR 78 -12.036 0.479 2.221 541 HD1 TYR 78 2HD TYR 78 -12.642 0.103 -0.212 542 HD2 TYR 78 1HD TYR 78 -15.360 1.778 2.600 543 HE1 TYR 78 2HE TYR 78 -13.986 1.012 -2.060 544 HE2 TYR 78 1HE TYR 78 -16.712 2.690 0.759 545 HH TYR 78 HH TYR 78 -16.191 1.790 -2.523 546 H ASN 79 H ASN 79 -11.718 -2.661 1.411 547 HA ASN 79 HA ASN 79 -9.930 -3.081 3.715 548 HB2 ASN 79 1HB ASN 79 -10.520 -4.900 1.371 549 HB3 ASN 79 2HB ASN 79 -9.275 -5.210 2.577 550 HD21 ASN 79 1HD2 ASN 79 -10.521 -4.474 4.885 551 HD22 ASN 79 2HD2 ASN 79 -11.867 -5.516 5.183 552 H ALA 80 H ALA 80 -8.012 -2.144 3.559 553 HA ALA 80 HA ALA 80 -6.908 -1.632 0.874 554 HB1 ALA 80 1HB ALA 80 -7.637 0.335 2.437 555 HB2 ALA 80 2HB ALA 80 -6.093 0.010 3.226 556 HB3 ALA 80 3HB ALA 80 -6.136 0.435 1.515 557 H ARG 81 H ARG 81 -4.610 -1.748 0.644 558 HA ARG 81 HA ARG 81 -3.082 -2.956 2.800 559 HB2 ARG 81 1HB ARG 81 -2.606 -4.979 1.786 560 HB3 ARG 81 2HB ARG 81 -4.293 -4.755 1.342 561 HG2 ARG 81 1HG ARG 81 -3.410 -3.717 -0.814 562 HG3 ARG 81 2HG ARG 81 -1.850 -4.407 -0.360 563 HD2 ARG 81 1HD ARG 81 -4.339 -5.742 -1.252 564 HD3 ARG 81 2HD ARG 81 -2.656 -6.138 -1.596 565 HE ARG 81 HE ARG 81 -2.566 -7.393 0.361 566 HH11 ARG 81 2HH1 ARG 81 -5.636 -5.786 0.029 567 HH12 ARG 81 1HH1 ARG 81 -6.411 -6.732 1.257 568 HH21 ARG 81 2HH2 ARG 81 -3.575 -8.644 1.980 569 HH22 ARG 81 1HH2 ARG 81 -5.238 -8.356 2.367 570 H VAL 82 H VAL 82 -0.902 -2.586 2.648 571 HA VAL 82 HA VAL 82 0.001 -1.070 0.285 572 HB VAL 82 HB VAL 82 -0.199 0.355 2.295 573 HG11 VAL 82 1HG1 VAL 82 1.176 -1.882 3.511 574 HG12 VAL 82 2HG1 VAL 82 1.996 -0.354 3.837 575 HG13 VAL 82 3HG1 VAL 82 0.297 -0.553 4.266 576 HG21 VAL 82 1HG2 VAL 82 1.959 1.394 2.117 577 HG22 VAL 82 2HG2 VAL 82 2.678 -0.098 1.511 578 HG23 VAL 82 3HG2 VAL 82 1.502 0.777 0.530 579 H LYS 83 H LYS 83 2.066 -1.458 -0.492 580 HA LYS 83 HA LYS 83 3.702 -3.486 0.817 581 HB2 LYS 83 1HB LYS 83 3.908 -4.829 -1.216 582 HB3 LYS 83 2HB LYS 83 2.235 -4.764 -0.675 583 HG2 LYS 83 1HG LYS 83 1.560 -3.495 -2.457 584 HG3 LYS 83 2HG LYS 83 3.161 -2.792 -2.703 585 HD2 LYS 83 1HD LYS 83 3.970 -4.932 -3.566 586 HD3 LYS 83 2HD LYS 83 2.376 -5.645 -3.306 587 HE2 LYS 83 1HE LYS 83 2.190 -5.105 -5.514 588 HE3 LYS 83 2HE LYS 83 1.617 -3.599 -4.799 589 HZ1 LYS 83 1HZ LYS 83 3.328 -3.410 -6.626 590 HZ2 LYS 83 2HZ LYS 83 4.456 -4.017 -5.521 591 HZ3 LYS 83 3HZ LYS 83 3.661 -2.558 -5.203 592 H ALA 84 H ALA 84 5.865 -3.657 -0.133 593 HA ALA 84 HA ALA 84 6.693 -1.092 -1.315 594 HB1 ALA 84 1HB ALA 84 7.574 -1.791 0.964 595 HB2 ALA 84 2HB ALA 84 8.506 -3.020 0.107 596 HB3 ALA 84 3HB ALA 84 8.772 -1.311 -0.239 597 H PHE 85 H PHE 85 8.282 -1.073 -2.964 598 HA PHE 85 HA PHE 85 9.048 -3.579 -4.202 599 HB2 PHE 85 1HB PHE 85 7.958 -3.308 -6.245 600 HB3 PHE 85 2HB PHE 85 6.729 -2.812 -5.086 601 HD1 PHE 85 2HD PHE 85 6.330 -0.371 -4.704 602 HD2 PHE 85 1HD PHE 85 8.766 -1.826 -7.877 603 HE1 PHE 85 2HE PHE 85 6.118 1.793 -5.855 604 HE2 PHE 85 1HE PHE 85 8.558 0.336 -9.033 605 HZ PHE 85 HZ PHE 85 7.232 2.149 -8.023 606 H ASN 86 H ASN 86 10.864 -3.414 -5.482 607 HA ASN 86 HA ASN 86 11.902 -0.829 -6.247 608 HB2 ASN 86 1HB ASN 86 14.003 -1.038 -5.014 609 HB3 ASN 86 2HB ASN 86 12.638 -1.003 -3.901 610 HD21 ASN 86 1HD2 ASN 86 13.896 -1.995 -2.305 611 HD22 ASN 86 2HD2 ASN 86 14.258 -3.684 -2.359 612 H LYS 87 H LYS 87 14.370 -1.310 -7.004 613 HA LYS 87 HA LYS 87 14.277 -2.652 -9.362 614 HB2 LYS 87 1HB LYS 87 16.557 -2.385 -9.500 615 HB3 LYS 87 2HB LYS 87 16.185 -1.245 -8.213 616 HG2 LYS 87 1HG LYS 87 17.057 -4.077 -7.707 617 HG3 LYS 87 2HG LYS 87 18.176 -2.716 -7.819 618 HD2 LYS 87 1HD LYS 87 15.863 -2.426 -5.987 619 HD3 LYS 87 2HD LYS 87 17.140 -3.543 -5.503 620 HE2 LYS 87 1HE LYS 87 18.794 -1.786 -5.696 621 HE3 LYS 87 2HE LYS 87 17.573 -0.666 -6.300 622 HZ1 LYS 87 1HZ LYS 87 17.913 -1.733 -3.573 623 HZ2 LYS 87 2HZ LYS 87 16.403 -1.169 -4.085 624 HZ3 LYS 87 3HZ LYS 87 17.736 -0.126 -4.074 625 H THR 88 H THR 88 14.872 -4.028 -6.187 626 HA THR 88 HA THR 88 15.780 -6.558 -6.921 627 HB THR 88 HB THR 88 13.940 -6.099 -4.579 628 HG1 THR 88 1HG THR 88 15.790 -5.385 -3.448 629 HG21 THR 88 1HG2 THR 88 14.597 -8.133 -3.944 630 HG22 THR 88 2HG2 THR 88 16.294 -7.675 -4.089 631 HG23 THR 88 3HG2 THR 88 15.427 -8.302 -5.490 632 H GLY 89 H GLY 89 12.441 -5.763 -5.919 633 HA2 GLY 89 1HA GLY 89 11.206 -7.043 -8.108 634 HA3 GLY 89 2HA GLY 89 11.304 -8.174 -6.767 635 H VAL 90 H VAL 90 9.700 -8.160 -5.335 636 HA VAL 90 HA VAL 90 8.257 -5.720 -4.733 637 HB VAL 90 HB VAL 90 6.065 -7.196 -5.101 638 HG11 VAL 90 1HG1 VAL 90 7.490 -5.194 -6.682 639 HG12 VAL 90 2HG1 VAL 90 6.322 -6.137 -7.609 640 HG13 VAL 90 3HG1 VAL 90 5.802 -5.249 -6.176 641 HG21 VAL 90 1HG2 VAL 90 6.177 -8.487 -7.140 642 HG22 VAL 90 2HG2 VAL 90 7.887 -8.099 -7.330 643 HG23 VAL 90 3HG2 VAL 90 7.356 -9.110 -5.986 644 H SER 91 H SER 91 7.221 -5.772 -2.762 645 HA SER 91 HA SER 91 7.817 -8.120 -1.112 646 HB2 SER 91 1HB SER 91 7.979 -6.718 0.708 647 HB3 SER 91 2HB SER 91 8.425 -5.589 -0.571 648 HG SER 91 HG SER 91 6.751 -4.899 0.992 649 HA PRO 92 HA PRO 92 3.622 -9.334 -0.688 650 HB2 PRO 92 1HB PRO 92 3.569 -10.209 1.881 651 HB3 PRO 92 2HB PRO 92 4.379 -11.093 0.582 652 HG2 PRO 92 1HG PRO 92 5.548 -9.269 2.647 653 HG3 PRO 92 2HG PRO 92 6.154 -10.828 2.060 654 HD2 PRO 92 1HD PRO 92 7.152 -8.461 1.203 655 HD3 PRO 92 2HD PRO 92 7.075 -9.898 0.163 656 H TYR 93 H TYR 93 1.673 -8.486 -0.145 657 HA TYR 93 HA TYR 93 1.467 -5.892 0.844 658 HB2 TYR 93 1HB TYR 93 -0.667 -8.035 0.774 659 HB3 TYR 93 2HB TYR 93 -0.958 -6.310 0.962 660 HD1 TYR 93 1HD TYR 93 0.264 -4.858 -0.971 661 HD2 TYR 93 2HD TYR 93 -1.008 -8.902 -1.329 662 HE1 TYR 93 1HE TYR 93 0.166 -4.604 -3.415 663 HE2 TYR 93 2HE TYR 93 -1.108 -8.660 -3.774 664 HH TYR 93 HH TYR 93 -1.234 -5.865 -5.341 665 H SER 94 H SER 94 0.300 -5.157 2.780 666 HA SER 94 HA SER 94 1.234 -6.627 5.122 667 HB2 SER 94 1HB SER 94 1.863 -4.451 5.473 668 HB3 SER 94 2HB SER 94 0.512 -3.798 4.546 669 HG SER 94 HG SER 94 -0.774 -3.945 6.277 670 H LYS 95 H LYS 95 -0.297 -6.319 7.110 671 HA LYS 95 HA LYS 95 -2.491 -7.957 6.810 672 HB2 LYS 95 1HB LYS 95 -1.265 -6.981 8.942 673 HB3 LYS 95 2HB LYS 95 -2.591 -5.826 8.900 674 HG2 LYS 95 1HG LYS 95 -3.412 -7.450 10.303 675 HG3 LYS 95 2HG LYS 95 -4.089 -7.939 8.748 676 HD2 LYS 95 1HD LYS 95 -1.467 -9.028 9.721 677 HD3 LYS 95 2HD LYS 95 -3.000 -9.742 10.227 678 HE2 LYS 95 1HE LYS 95 -3.470 -9.698 7.629 679 HE3 LYS 95 2HE LYS 95 -1.709 -9.696 7.545 680 HZ1 LYS 95 1HZ LYS 95 -2.124 -11.640 9.314 681 HZ2 LYS 95 2HZ LYS 95 -1.997 -11.909 7.649 682 HZ3 LYS 95 3HZ LYS 95 -3.521 -11.804 8.375 683 H THR 96 H THR 96 -4.564 -7.720 6.207 684 HA THR 96 HA THR 96 -5.437 -5.631 4.640 685 HB THR 96 HB THR 96 -7.187 -7.427 6.332 686 HG1 THR 96 1HG THR 96 -6.714 -7.879 3.609 687 HG21 THR 96 1HG2 THR 96 -7.941 -6.208 3.698 688 HG22 THR 96 2HG2 THR 96 -8.165 -5.311 5.200 689 HG23 THR 96 3HG2 THR 96 -8.983 -6.855 4.964 690 H LEU 97 H LEU 97 -6.053 -3.609 5.020 691 HA LEU 97 HA LEU 97 -6.553 -2.793 7.791 692 HB2 LEU 97 1HB LEU 97 -4.918 -1.403 6.973 693 HB3 LEU 97 2HB LEU 97 -5.582 -1.409 5.340 694 HG LEU 97 HG LEU 97 -7.475 0.017 6.276 695 HD11 LEU 97 1HD1 LEU 97 -7.527 0.323 8.473 696 HD12 LEU 97 2HD1 LEU 97 -6.063 1.293 8.319 697 HD13 LEU 97 3HD1 LEU 97 -5.944 -0.431 8.670 698 HD21 LEU 97 1HD2 LEU 97 -5.352 0.723 4.953 699 HD22 LEU 97 2HD2 LEU 97 -4.844 1.420 6.492 700 HD23 LEU 97 3HD2 LEU 97 -6.344 1.955 5.733 701 H VAL 98 H VAL 98 -8.623 -2.796 8.361 702 HA VAL 98 HA VAL 98 -10.702 -2.321 6.377 703 HB VAL 98 HB VAL 98 -11.109 -2.895 9.308 704 HG11 VAL 98 1HG1 VAL 98 -12.967 -2.046 7.719 705 HG12 VAL 98 2HG1 VAL 98 -12.919 -3.681 7.057 706 HG13 VAL 98 3HG1 VAL 98 -13.298 -3.429 8.761 707 HG21 VAL 98 1HG2 VAL 98 -11.519 -5.209 7.700 708 HG22 VAL 98 2HG2 VAL 98 -9.897 -4.591 7.392 709 HG23 VAL 98 3HG2 VAL 98 -10.394 -4.981 9.038 710 H LEU 99 H LEU 99 -11.619 -0.405 6.075 711 HA LEU 99 HA LEU 99 -11.300 1.647 8.163 712 HB2 LEU 99 1HB LEU 99 -11.963 2.273 5.316 713 HB3 LEU 99 2HB LEU 99 -11.185 3.288 6.528 714 HG LEU 99 HG LEU 99 -9.287 1.436 6.290 715 HD11 LEU 99 1HD1 LEU 99 -11.069 0.721 4.241 716 HD12 LEU 99 2HD1 LEU 99 -9.444 0.100 4.529 717 HD13 LEU 99 3HD1 LEU 99 -9.683 1.478 3.455 718 HD21 LEU 99 1HD2 LEU 99 -8.119 2.947 4.853 719 HD22 LEU 99 2HD2 LEU 99 -9.131 3.902 5.937 720 HD23 LEU 99 3HD2 LEU 99 -9.630 3.641 4.265 721 H GLN 100 H GLN 100 -13.271 0.325 8.973 722 HA GLN 100 HA GLN 100 -15.751 0.261 7.890 723 HB2 GLN 100 1HB GLN 100 -15.068 1.021 10.735 724 HB3 GLN 100 2HB GLN 100 -16.659 0.510 10.188 725 HG2 GLN 100 1HG GLN 100 -14.211 -1.201 9.883 726 HG3 GLN 100 2HG GLN 100 -15.236 -1.239 11.317 727 HE21 GLN 100 1HE2 GLN 100 -15.074 -1.888 7.891 728 HE22 GLN 100 2HE2 GLN 100 -16.447 -2.934 7.825 729 H THR 101 H THR 101 -16.761 1.780 6.756 730 HA THR 101 HA THR 101 -16.405 4.587 7.325 731 HB THR 101 HB THR 101 -18.267 4.711 5.462 732 HG1 THR 101 1HG THR 101 -18.134 2.834 4.111 733 HG21 THR 101 1HG2 THR 101 -16.562 5.247 4.102 734 HG22 THR 101 2HG2 THR 101 -15.831 3.649 4.242 735 HG23 THR 101 3HG2 THR 101 -15.528 4.869 5.478 736 H SER 102 H SER 102 -17.993 6.039 7.989 737 HA SER 102 HA SER 102 -19.932 4.964 9.807 738 HB2 SER 102 1HB SER 102 -18.633 7.094 10.182 739 HB3 SER 102 2HB SER 102 -19.629 7.845 8.936 740 HG SER 102 HG SER 102 -21.382 7.683 10.217 741 H GLU 103 H GLU 103 -22.221 5.724 9.788 742 HA GLU 103 HA GLU 103 -23.579 4.836 7.548 743 HB2 GLU 103 1HB GLU 103 -25.580 5.790 8.532 744 HB3 GLU 103 2HB GLU 103 -24.586 5.070 9.790 745 HG2 GLU 103 1HG GLU 103 -23.672 7.411 10.183 746 HG3 GLU 103 2HG GLU 103 -25.009 7.975 9.183 747 H GLY 104 H GLY 104 -21.995 7.814 8.026 748 HA2 GLY 104 1HA GLY 104 -21.877 8.835 5.606 749 HA3 GLY 104 2HA GLY 104 -23.561 9.182 5.967 750 H SER 105 H SER 105 -23.502 11.369 6.079 751 HA SER 105 HA SER 105 -22.258 12.522 8.421 752 HB2 SER 105 1HB SER 105 -20.889 14.120 7.325 753 HB3 SER 105 2HB SER 105 -20.526 12.583 6.539 754 HG SER 105 HG SER 105 -22.113 13.238 4.924 755 H GLY 106 H GLY 106 -23.011 14.686 8.873 756 HA2 GLY 106 1HA GLY 106 -25.098 15.806 7.212 757 HA3 GLY 106 2HA GLY 106 -25.672 15.117 8.723 758 HA PRO 107 HA PRO 107 -24.690 19.531 9.579 759 HB2 PRO 107 1HB PRO 107 -26.823 19.912 11.216 760 HB3 PRO 107 2HB PRO 107 -26.920 20.072 9.458 761 HG2 PRO 107 1HG PRO 107 -27.708 17.766 11.197 762 HG3 PRO 107 2HG PRO 107 -28.565 18.466 9.811 763 HD2 PRO 107 1HD PRO 107 -27.086 16.206 9.619 764 HD3 PRO 107 2HD PRO 107 -27.249 17.357 8.277 765 H SER 108 H SER 108 -25.941 17.129 11.898 766 HA SER 108 HA SER 108 -24.893 18.224 14.222 767 HB2 SER 108 1HB SER 108 -25.175 16.046 15.225 768 HB3 SER 108 2HB SER 108 -26.503 16.306 14.094 769 HG SER 108 HG SER 108 -25.825 14.352 13.521 770 H SER 109 H SER 109 -22.868 18.702 14.716 771 HA SER 109 HA SER 109 -20.638 17.653 13.288 772 HB2 SER 109 1HB SER 109 -20.862 19.383 15.754 773 HB3 SER 109 2HB SER 109 -19.312 18.907 15.062 774 HG SER 109 HG SER 109 -19.771 20.046 13.238 775 H GLY 110 H GLY 110 -19.061 16.212 13.930 776 HA2 GLY 110 1HA GLY 110 -19.776 14.547 16.262 777 HA3 GLY 110 2HA GLY 110 -18.988 13.937 14.815 Start of MODEL 14 1 H1 GLY 1 H GLY 1 21.544 -19.484 -7.624 2 HA2 GLY 1 1HA GLY 1 23.156 -21.719 -7.620 3 HA3 GLY 1 2HA GLY 1 23.592 -20.841 -9.079 4 H SER 2 H SER 2 23.747 -18.318 -8.527 5 HA SER 2 HA SER 2 26.093 -17.916 -7.168 6 HB2 SER 2 1HB SER 2 25.525 -15.531 -7.121 7 HB3 SER 2 2HB SER 2 25.068 -16.246 -8.667 8 HG SER 2 HG SER 2 23.060 -15.794 -8.257 9 H SER 3 H SER 3 26.402 -16.521 -5.177 10 HA SER 3 HA SER 3 25.077 -17.821 -2.969 11 HB2 SER 3 1HB SER 3 27.294 -15.777 -3.137 12 HB3 SER 3 2HB SER 3 26.633 -16.339 -1.601 13 HG SER 3 HG SER 3 27.127 -18.503 -2.954 14 H GLY 4 H GLY 4 24.987 -14.712 -4.559 15 HA2 GLY 4 1HA GLY 4 22.761 -13.598 -4.317 16 HA3 GLY 4 2HA GLY 4 22.973 -13.821 -2.587 17 H SER 5 H SER 5 23.734 -11.893 -5.334 18 HA SER 5 HA SER 5 25.528 -10.197 -3.750 19 HB2 SER 5 1HB SER 5 25.997 -11.055 -6.195 20 HB3 SER 5 2HB SER 5 24.958 -9.704 -6.649 21 HG SER 5 HG SER 5 27.532 -9.684 -5.822 22 H SER 6 H SER 6 22.570 -10.075 -5.689 23 HA SER 6 HA SER 6 22.086 -7.305 -5.263 24 HB2 SER 6 1HB SER 6 21.071 -8.383 -7.164 25 HB3 SER 6 2HB SER 6 20.260 -9.557 -6.128 26 HG SER 6 HG SER 6 19.005 -7.877 -5.288 27 H GLY 7 H GLY 7 20.571 -6.303 -3.902 28 HA2 GLY 7 1HA GLY 7 20.386 -7.450 -1.293 29 HA3 GLY 7 2HA GLY 7 19.690 -5.921 -1.807 30 HA PRO 8 HA PRO 8 16.517 -9.513 -1.441 31 HB2 PRO 8 1HB PRO 8 15.693 -9.186 1.125 32 HB3 PRO 8 2HB PRO 8 16.999 -10.286 0.668 33 HG2 PRO 8 1HG PRO 8 17.162 -7.515 1.789 34 HG3 PRO 8 2HG PRO 8 18.115 -8.950 2.210 35 HD2 PRO 8 1HD PRO 8 19.054 -7.005 0.577 36 HD3 PRO 8 2HD PRO 8 19.512 -8.710 0.392 37 H VAL 9 H VAL 9 14.248 -9.186 -1.399 38 HA VAL 9 HA VAL 9 13.290 -6.799 -2.343 39 HB VAL 9 HB VAL 9 11.018 -7.567 -1.534 40 HG11 VAL 9 1HG1 VAL 9 10.871 -9.324 -3.140 41 HG12 VAL 9 2HG1 VAL 9 12.061 -8.165 -3.733 42 HG13 VAL 9 3HG1 VAL 9 12.592 -9.677 -2.998 43 HG21 VAL 9 1HG2 VAL 9 12.734 -9.358 -0.008 44 HG22 VAL 9 2HG2 VAL 9 11.039 -8.934 0.235 45 HG23 VAL 9 3HG2 VAL 9 11.474 -10.207 -0.905 46 HA PRO 10 HA PRO 10 12.954 -3.966 0.995 47 HB2 PRO 10 1HB PRO 10 10.726 -2.586 0.288 48 HB3 PRO 10 2HB PRO 10 12.270 -2.411 -0.553 49 HG2 PRO 10 1HG PRO 10 9.872 -4.032 -1.315 50 HG3 PRO 10 2HG PRO 10 10.905 -3.014 -2.335 51 HD2 PRO 10 1HD PRO 10 11.149 -5.709 -2.246 52 HD3 PRO 10 2HD PRO 10 12.534 -4.633 -2.519 53 H ALA 11 H ALA 11 12.403 -4.565 2.991 54 HA ALA 11 HA ALA 11 10.539 -6.321 3.849 55 HB1 ALA 11 1HB ALA 11 11.910 -4.040 5.085 56 HB2 ALA 11 2HB ALA 11 10.432 -4.551 5.903 57 HB3 ALA 11 3HB ALA 11 11.740 -5.705 5.643 58 H THR 12 H THR 12 8.386 -6.418 4.188 59 HA THR 12 HA THR 12 6.629 -4.759 2.826 60 HB THR 12 HB THR 12 6.104 -6.560 5.195 61 HG1 THR 12 1HG THR 12 5.651 -6.901 2.398 62 HG21 THR 12 1HG2 THR 12 4.383 -4.731 4.849 63 HG22 THR 12 2HG2 THR 12 3.777 -6.385 4.772 64 HG23 THR 12 3HG2 THR 12 4.043 -5.473 3.287 65 HA PRO 13 HA PRO 13 6.379 -1.156 5.370 66 HB2 PRO 13 1HB PRO 13 4.111 -0.112 4.305 67 HB3 PRO 13 2HB PRO 13 5.671 -0.065 3.476 68 HG2 PRO 13 1HG PRO 13 3.377 -1.949 3.090 69 HG3 PRO 13 2HG PRO 13 4.392 -1.157 1.870 70 HD2 PRO 13 1HD PRO 13 4.761 -3.732 2.624 71 HD3 PRO 13 2HD PRO 13 6.102 -2.683 2.120 72 H ILE 14 H ILE 14 5.481 -0.663 7.295 73 HA ILE 14 HA ILE 14 3.269 -2.338 8.222 74 HB ILE 14 HB ILE 14 5.138 -0.545 9.775 75 HG12 ILE 14 1HG1 ILE 14 5.043 -3.513 10.071 76 HG13 ILE 14 2HG1 ILE 14 5.856 -2.846 8.659 77 HG21 ILE 14 1HG2 ILE 14 2.601 -1.424 10.493 78 HG22 ILE 14 2HG2 ILE 14 3.706 -2.528 11.310 79 HG23 ILE 14 3HG2 ILE 14 3.845 -0.789 11.568 80 HD11 ILE 14 1HD1 ILE 14 7.586 -2.057 9.866 81 HD12 ILE 14 2HD1 ILE 14 6.579 -1.669 11.262 82 HD13 ILE 14 3HD1 ILE 14 7.086 -3.333 10.976 83 H LEU 15 H LEU 15 1.488 -1.322 7.315 84 HA LEU 15 HA LEU 15 0.921 1.361 7.156 85 HB2 LEU 15 1HB LEU 15 -1.414 0.761 7.070 86 HB3 LEU 15 2HB LEU 15 -0.454 -0.410 6.169 87 HG LEU 15 HG LEU 15 -0.607 -1.685 8.525 88 HD11 LEU 15 1HD1 LEU 15 -2.011 0.207 9.424 89 HD12 LEU 15 2HD1 LEU 15 -2.704 -1.407 9.579 90 HD13 LEU 15 3HD1 LEU 15 -3.278 -0.319 8.315 91 HD21 LEU 15 1HD2 LEU 15 -1.931 -3.177 7.426 92 HD22 LEU 15 2HD2 LEU 15 -1.409 -2.200 6.053 93 HD23 LEU 15 3HD2 LEU 15 -2.995 -1.928 6.778 94 H GLN 16 H GLN 16 0.499 2.941 8.559 95 HA GLN 16 HA GLN 16 -0.314 2.220 11.292 96 HB2 GLN 16 1HB GLN 16 1.893 4.059 10.416 97 HB3 GLN 16 2HB GLN 16 1.098 4.287 11.967 98 HG2 GLN 16 1HG GLN 16 2.234 1.627 11.214 99 HG3 GLN 16 2HG GLN 16 3.267 2.904 11.854 100 HE21 GLN 16 1HE2 GLN 16 2.563 3.863 13.928 101 HE22 GLN 16 2HE2 GLN 16 1.859 2.816 15.107 102 H LEU 17 H LEU 17 -2.231 2.839 9.549 103 HA LEU 17 HA LEU 17 -3.000 5.285 8.826 104 HB2 LEU 17 1HB LEU 17 -4.335 3.047 9.011 105 HB3 LEU 17 2HB LEU 17 -4.937 3.755 10.508 106 HG LEU 17 HG LEU 17 -5.206 5.027 7.786 107 HD11 LEU 17 1HD1 LEU 17 -6.837 3.030 9.209 108 HD12 LEU 17 2HD1 LEU 17 -6.710 3.377 7.485 109 HD13 LEU 17 3HD1 LEU 17 -7.717 4.392 8.517 110 HD21 LEU 17 1HD2 LEU 17 -6.122 5.751 10.544 111 HD22 LEU 17 2HD2 LEU 17 -7.019 6.289 9.124 112 HD23 LEU 17 3HD2 LEU 17 -5.331 6.757 9.330 113 H GLU 18 H GLU 18 -3.171 7.240 9.696 114 HA GLU 18 HA GLU 18 -3.198 7.465 12.627 115 HB2 GLU 18 1HB GLU 18 -2.390 9.510 10.551 116 HB3 GLU 18 2HB GLU 18 -2.316 9.735 12.293 117 HG2 GLU 18 1HG GLU 18 -0.814 7.595 12.199 118 HG3 GLU 18 2HG GLU 18 -0.594 8.081 10.519 119 H GLU 19 H GLU 19 -4.725 8.672 9.680 120 HA GLU 19 HA GLU 19 -6.546 10.408 11.015 121 HB2 GLU 19 1HB GLU 19 -5.950 10.753 8.673 122 HB3 GLU 19 2HB GLU 19 -6.656 9.201 8.245 123 HG2 GLU 19 1HG GLU 19 -8.307 10.675 7.630 124 HG3 GLU 19 2HG GLU 19 -8.828 10.187 9.242 125 H CYS 20 H CYS 20 -7.436 9.086 12.666 126 HA CYS 20 HA CYS 20 -9.303 7.015 11.728 127 HB2 CYS 20 1HB CYS 20 -9.204 6.050 13.928 128 HB3 CYS 20 2HB CYS 20 -7.555 6.326 13.381 129 HG CYS 20 HG CYS 20 -9.281 7.964 15.811 130 H CYS 21 H CYS 21 -11.361 6.847 12.935 131 HA CYS 21 HA CYS 21 -13.403 7.904 13.173 132 HB2 CYS 21 1HB CYS 21 -13.637 8.818 15.386 133 HB3 CYS 21 2HB CYS 21 -12.492 7.484 15.464 134 HG CYS 21 HG CYS 21 -11.235 10.603 15.081 135 H THR 22 H THR 22 -12.169 9.248 11.189 136 HA THR 22 HA THR 22 -12.168 12.090 11.830 137 HB THR 22 HB THR 22 -10.400 11.261 10.357 138 HG1 THR 22 1HG THR 22 -10.568 13.180 9.500 139 HG21 THR 22 1HG2 THR 22 -12.246 10.837 8.084 140 HG22 THR 22 2HG2 THR 22 -12.208 9.572 9.312 141 HG23 THR 22 3HG2 THR 22 -10.726 10.034 8.475 142 H HIS 23 H HIS 23 -13.623 13.574 11.048 143 HA HIS 23 HA HIS 23 -16.218 12.538 10.322 144 HB2 HIS 23 1HB HIS 23 -15.315 15.409 10.623 145 HB3 HIS 23 2HB HIS 23 -16.981 14.844 10.537 146 HD1 HIS 23 1HD HIS 23 -14.157 15.312 12.871 147 HD2 HIS 23 2HD HIS 23 -17.882 13.472 12.875 148 HE1 HIS 23 1HE HIS 23 -14.671 14.838 15.287 149 HE2 HIS 23 2HE HIS 23 -16.890 13.648 15.257 150 H ASN 24 H ASN 24 -14.493 11.874 8.331 151 HA ASN 24 HA ASN 24 -15.630 13.313 6.086 152 HB2 ASN 24 1HB ASN 24 -12.627 13.053 6.348 153 HB3 ASN 24 2HB ASN 24 -13.506 13.799 5.017 154 HD21 ASN 24 1HD2 ASN 24 -12.416 14.141 8.283 155 HD22 ASN 24 2HD2 ASN 24 -12.779 15.822 8.448 156 H ASN 25 H ASN 25 -14.747 12.268 3.966 157 HA ASN 25 HA ASN 25 -14.839 9.359 4.372 158 HB2 ASN 25 1HB ASN 25 -15.580 9.275 1.990 159 HB3 ASN 25 2HB ASN 25 -16.672 10.185 3.030 160 HD21 ASN 25 1HD2 ASN 25 -16.199 10.288 0.123 161 HD22 ASN 25 2HD2 ASN 25 -15.822 11.939 -0.223 162 H SER 26 H SER 26 -12.387 10.570 4.790 163 HA SER 26 HA SER 26 -10.864 9.680 2.429 164 HB2 SER 26 1HB SER 26 -9.140 11.345 3.005 165 HB3 SER 26 2HB SER 26 -10.694 12.115 2.686 166 HG SER 26 HG SER 26 -9.271 11.886 5.062 167 H ALA 27 H ALA 27 -9.011 8.474 2.786 168 HA ALA 27 HA ALA 27 -8.634 7.528 5.553 169 HB1 ALA 27 1HB ALA 27 -8.946 6.069 3.025 170 HB2 ALA 27 2HB ALA 27 -7.636 5.498 4.059 171 HB3 ALA 27 3HB ALA 27 -9.285 5.563 4.681 172 H THR 28 H THR 28 -6.867 8.549 6.283 173 HA THR 28 HA THR 28 -4.620 9.095 4.536 174 HB THR 28 HB THR 28 -4.728 9.578 7.511 175 HG1 THR 28 1HG THR 28 -6.007 10.902 5.410 176 HG21 THR 28 1HG2 THR 28 -2.853 10.157 5.384 177 HG22 THR 28 2HG2 THR 28 -2.657 10.321 7.129 178 HG23 THR 28 3HG2 THR 28 -3.380 11.631 6.196 179 H LEU 29 H LEU 29 -2.955 7.772 4.258 180 HA LEU 29 HA LEU 29 -2.476 5.676 6.272 181 HB2 LEU 29 1HB LEU 29 -2.402 5.696 3.315 182 HB3 LEU 29 2HB LEU 29 -1.166 4.741 4.131 183 HG LEU 29 HG LEU 29 -3.230 3.492 3.406 184 HD11 LEU 29 1HD1 LEU 29 -3.482 2.652 5.982 185 HD12 LEU 29 2HD1 LEU 29 -1.918 3.466 6.023 186 HD13 LEU 29 3HD1 LEU 29 -2.200 2.155 4.877 187 HD21 LEU 29 1HD2 LEU 29 -4.508 5.598 4.774 188 HD22 LEU 29 2HD2 LEU 29 -4.802 4.130 5.706 189 HD23 LEU 29 3HD2 LEU 29 -5.247 4.196 4.000 190 H SER 30 H SER 30 -0.533 5.547 7.227 191 HA SER 30 HA SER 30 1.670 7.159 6.128 192 HB2 SER 30 1HB SER 30 2.234 8.022 8.269 193 HB3 SER 30 2HB SER 30 0.489 8.231 8.121 194 HG SER 30 HG SER 30 0.628 5.942 9.181 195 H TRP 31 H TRP 31 1.662 4.627 5.436 196 HA TRP 31 HA TRP 31 2.562 2.640 7.098 197 HB2 TRP 31 1HB TRP 31 3.659 1.656 5.104 198 HB3 TRP 31 2HB TRP 31 2.024 2.220 4.768 199 HD1 TRP 31 HD TRP 31 5.650 2.829 3.831 200 HE1 TRP 31 1HE TRP 31 5.744 4.485 1.863 201 HE3 TRP 31 3HE TRP 31 0.740 4.249 3.729 202 HZ2 TRP 31 2HZ TRP 31 3.972 6.171 0.455 203 HZ3 TRP 31 3HZ TRP 31 0.021 5.889 2.041 204 HH2 TRP 31 HH TRP 31 1.605 6.829 0.439 205 H LYS 32 H LYS 32 4.705 1.748 7.452 206 HA LYS 32 HA LYS 32 6.918 3.647 7.243 207 HB2 LYS 32 1HB LYS 32 7.486 3.571 9.533 208 HB3 LYS 32 2HB LYS 32 5.753 3.870 9.497 209 HG2 LYS 32 1HG LYS 32 5.243 1.708 10.199 210 HG3 LYS 32 2HG LYS 32 6.842 1.093 9.773 211 HD2 LYS 32 1HD LYS 32 7.853 2.179 11.615 212 HD3 LYS 32 2HD LYS 32 6.418 3.162 11.917 213 HE2 LYS 32 1HE LYS 32 6.153 0.201 12.027 214 HE3 LYS 32 2HE LYS 32 6.967 1.014 13.362 215 HZ1 LYS 32 1HZ LYS 32 4.753 2.522 12.985 216 HZ2 LYS 32 2HZ LYS 32 4.922 1.316 14.158 217 HZ3 LYS 32 3HZ LYS 32 4.176 0.960 12.682 218 H GLN 33 H GLN 33 9.009 2.552 8.023 219 HA GLN 33 HA GLN 33 9.059 -0.139 6.863 220 HB2 GLN 33 1HB GLN 33 11.168 1.971 7.260 221 HB3 GLN 33 2HB GLN 33 11.592 0.307 6.882 222 HG2 GLN 33 1HG GLN 33 9.846 0.699 4.930 223 HG3 GLN 33 2HG GLN 33 10.323 2.377 5.187 224 HE21 GLN 33 1HE2 GLN 33 11.059 -0.483 3.635 225 HE22 GLN 33 2HE2 GLN 33 12.666 -0.105 3.128 226 HA PRO 34 HA PRO 34 9.659 -1.944 10.846 227 HB2 PRO 34 1HB PRO 34 10.599 -4.355 10.026 228 HB3 PRO 34 2HB PRO 34 8.897 -3.894 9.898 229 HG2 PRO 34 1HG PRO 34 11.031 -3.860 7.799 230 HG3 PRO 34 2HG PRO 34 9.347 -4.402 7.674 231 HD2 PRO 34 1HD PRO 34 10.169 -1.982 6.780 232 HD3 PRO 34 2HD PRO 34 8.542 -2.255 7.436 233 HA PRO 35 HA PRO 35 13.965 -1.004 11.533 234 HB2 PRO 35 1HB PRO 35 13.938 -1.481 14.205 235 HB3 PRO 35 2HB PRO 35 13.276 -0.009 13.485 236 HG2 PRO 35 1HG PRO 35 11.851 -2.480 14.395 237 HG3 PRO 35 2HG PRO 35 11.403 -0.780 14.629 238 HD2 PRO 35 1HD PRO 35 10.275 -2.335 12.720 239 HD3 PRO 35 2HD PRO 35 10.523 -0.590 12.507 240 H LEU 36 H LEU 36 12.410 -3.988 11.747 241 HA LEU 36 HA LEU 36 14.711 -5.445 12.760 242 HB2 LEU 36 1HB LEU 36 12.153 -6.557 11.627 243 HB3 LEU 36 2HB LEU 36 13.338 -7.399 12.624 244 HG LEU 36 HG LEU 36 12.662 -5.493 14.352 245 HD11 LEU 36 1HD1 LEU 36 10.478 -5.565 12.345 246 HD12 LEU 36 2HD1 LEU 36 11.066 -4.230 13.335 247 HD13 LEU 36 3HD1 LEU 36 10.032 -5.467 14.049 248 HD21 LEU 36 1HD2 LEU 36 11.685 -7.165 15.515 249 HD22 LEU 36 2HD2 LEU 36 12.331 -8.154 14.206 250 HD23 LEU 36 3HD2 LEU 36 10.644 -7.639 14.173 251 H SER 37 H SER 37 13.500 -4.366 9.772 252 HA SER 37 HA SER 37 15.238 -6.263 8.332 253 HB2 SER 37 1HB SER 37 12.569 -5.116 7.681 254 HB3 SER 37 2HB SER 37 13.696 -5.349 6.344 255 HG SER 37 HG SER 37 13.919 -7.555 7.169 256 H THR 38 H THR 38 14.310 -2.922 8.780 257 HA THR 38 HA THR 38 15.087 -0.977 7.795 258 HB THR 38 HB THR 38 16.655 -1.547 9.674 259 HG1 THR 38 1HG THR 38 17.649 -0.105 7.426 260 HG21 THR 38 1HG2 THR 38 17.975 -2.989 7.469 261 HG22 THR 38 2HG2 THR 38 18.016 -3.290 9.206 262 HG23 THR 38 3HG2 THR 38 19.045 -2.043 8.502 263 H VAL 39 H VAL 39 14.652 -3.035 5.825 264 HA VAL 39 HA VAL 39 16.902 -2.983 4.016 265 HB VAL 39 HB VAL 39 14.090 -4.027 3.673 266 HG11 VAL 39 1HG1 VAL 39 16.403 -4.551 1.828 267 HG12 VAL 39 2HG1 VAL 39 14.695 -4.915 1.579 268 HG13 VAL 39 3HG1 VAL 39 15.255 -3.242 1.554 269 HG21 VAL 39 1HG2 VAL 39 16.451 -5.083 4.900 270 HG22 VAL 39 2HG2 VAL 39 14.844 -5.800 4.780 271 HG23 VAL 39 3HG2 VAL 39 16.025 -6.062 3.497 272 HA PRO 40 HA PRO 40 15.830 0.789 1.987 273 HB2 PRO 40 1HB PRO 40 17.309 0.438 -0.263 274 HB3 PRO 40 2HB PRO 40 18.021 0.854 1.300 275 HG2 PRO 40 1HG PRO 40 17.818 -1.816 -0.038 276 HG3 PRO 40 2HG PRO 40 19.190 -1.101 0.830 277 HD2 PRO 40 1HD PRO 40 17.546 -2.932 1.960 278 HD3 PRO 40 2HD PRO 40 18.326 -1.642 2.897 279 H ALA 41 H ALA 41 14.123 1.352 0.790 280 HA ALA 41 HA ALA 41 13.147 -0.553 -1.239 281 HB1 ALA 41 1HB ALA 41 11.819 0.432 1.052 282 HB2 ALA 41 2HB ALA 41 11.044 1.157 -0.357 283 HB3 ALA 41 3HB ALA 41 11.174 -0.597 -0.228 284 H ASP 42 H ASP 42 12.013 0.385 -3.057 285 HA ASP 42 HA ASP 42 13.176 2.959 -3.818 286 HB2 ASP 42 1HB ASP 42 13.343 0.841 -5.262 287 HB3 ASP 42 2HB ASP 42 11.642 1.108 -5.633 288 H GLY 43 H GLY 43 10.046 1.306 -3.633 289 HA2 GLY 43 1HA GLY 43 8.707 3.807 -3.140 290 HA3 GLY 43 2HA GLY 43 8.337 3.127 -4.718 291 H TYR 44 H TYR 44 6.408 3.556 -2.730 292 HA TYR 44 HA TYR 44 5.747 0.801 -1.919 293 HB2 TYR 44 1HB TYR 44 4.734 3.371 -0.687 294 HB3 TYR 44 2HB TYR 44 4.421 1.737 -0.113 295 HD1 TYR 44 2HD TYR 44 6.958 4.383 -0.408 296 HD2 TYR 44 1HD TYR 44 6.062 0.534 1.167 297 HE1 TYR 44 2HE TYR 44 8.956 4.510 1.020 298 HE2 TYR 44 1HE TYR 44 8.057 0.650 2.601 299 HH TYR 44 HH TYR 44 10.256 1.849 2.603 300 H ILE 45 H ILE 45 3.869 -0.081 -2.585 301 HA ILE 45 HA ILE 45 2.128 1.595 -4.269 302 HB ILE 45 HB ILE 45 2.563 -1.391 -4.393 303 HG12 ILE 45 1HG1 ILE 45 3.254 0.639 -6.508 304 HG13 ILE 45 2HG1 ILE 45 4.395 0.204 -5.241 305 HG21 ILE 45 1HG2 ILE 45 0.881 -1.574 -5.891 306 HG22 ILE 45 2HG2 ILE 45 0.274 -0.152 -5.046 307 HG23 ILE 45 3HG2 ILE 45 1.157 0.033 -6.561 308 HD11 ILE 45 1HD1 ILE 45 3.158 -1.721 -7.194 309 HD12 ILE 45 2HD1 ILE 45 4.778 -1.032 -7.316 310 HD13 ILE 45 3HD1 ILE 45 4.372 -2.099 -5.972 311 H LEU 46 H LEU 46 0.128 1.954 -3.580 312 HA LEU 46 HA LEU 46 -0.885 0.409 -1.314 313 HB2 LEU 46 1HB LEU 46 -1.404 3.103 -2.440 314 HB3 LEU 46 2HB LEU 46 -2.740 2.298 -1.619 315 HG LEU 46 HG LEU 46 -0.055 2.725 -0.326 316 HD11 LEU 46 1HD1 LEU 46 -2.495 4.488 -0.152 317 HD12 LEU 46 2HD1 LEU 46 -0.987 4.896 -0.971 318 HD13 LEU 46 3HD1 LEU 46 -1.007 4.669 0.778 319 HD21 LEU 46 1HD2 LEU 46 -1.489 0.995 0.647 320 HD22 LEU 46 2HD2 LEU 46 -2.799 2.167 0.800 321 HD23 LEU 46 3HD2 LEU 46 -1.314 2.377 1.729 322 H GLU 47 H GLU 47 -3.133 -0.280 -1.286 323 HA GLU 47 HA GLU 47 -4.467 -0.555 -3.851 324 HB2 GLU 47 1HB GLU 47 -3.597 -2.960 -2.239 325 HB3 GLU 47 2HB GLU 47 -4.689 -3.012 -3.616 326 HG2 GLU 47 1HG GLU 47 -2.678 -3.611 -4.556 327 HG3 GLU 47 2HG GLU 47 -2.750 -1.882 -4.896 328 H LEU 48 H LEU 48 -6.668 -0.925 -3.683 329 HA LEU 48 HA LEU 48 -7.902 -1.614 -1.187 330 HB2 LEU 48 1HB LEU 48 -7.483 0.657 -0.638 331 HB3 LEU 48 2HB LEU 48 -8.027 1.207 -2.222 332 HG LEU 48 HG LEU 48 -10.333 0.362 -1.550 333 HD11 LEU 48 1HD1 LEU 48 -9.632 0.720 1.277 334 HD12 LEU 48 2HD1 LEU 48 -9.041 -0.770 0.543 335 HD13 LEU 48 3HD1 LEU 48 -10.764 -0.397 0.517 336 HD21 LEU 48 1HD2 LEU 48 -10.122 2.444 0.330 337 HD22 LEU 48 2HD2 LEU 48 -10.630 2.552 -1.356 338 HD23 LEU 48 3HD2 LEU 48 -8.933 2.780 -0.929 339 H ASP 49 H ASP 49 -9.961 -2.347 -1.462 340 HA ASP 49 HA ASP 49 -10.862 -2.666 -4.196 341 HB2 ASP 49 1HB ASP 49 -12.655 -4.074 -3.127 342 HB3 ASP 49 2HB ASP 49 -11.008 -4.617 -2.818 343 H ASP 50 H ASP 50 -13.346 -2.507 -4.505 344 HA ASP 50 HA ASP 50 -14.094 0.216 -3.752 345 HB2 ASP 50 1HB ASP 50 -14.131 -0.701 -6.166 346 HB3 ASP 50 2HB ASP 50 -15.604 -1.534 -5.679 347 H GLY 51 H GLY 51 -14.255 -1.667 -1.688 348 HA2 GLY 51 1HA GLY 51 -15.693 -2.484 -0.093 349 HA3 GLY 51 2HA GLY 51 -16.758 -1.187 -0.614 350 H ASN 52 H ASN 52 -15.721 -3.865 -2.642 351 HA ASN 52 HA ASN 52 -18.527 -4.737 -2.779 352 HB2 ASN 52 1HB ASN 52 -17.581 -3.949 -4.909 353 HB3 ASN 52 2HB ASN 52 -16.292 -5.141 -4.780 354 HD21 ASN 52 1HD2 ASN 52 -16.929 -6.032 -6.765 355 HD22 ASN 52 2HD2 ASN 52 -18.321 -7.049 -6.890 356 H GLY 53 H GLY 53 -15.224 -5.808 -2.283 357 HA2 GLY 53 1HA GLY 53 -14.711 -7.638 -0.845 358 HA3 GLY 53 2HA GLY 53 -16.278 -8.337 -1.225 359 H GLY 54 H GLY 54 -13.837 -7.102 -3.476 360 HA2 GLY 54 1HA GLY 54 -13.525 -9.862 -4.486 361 HA3 GLY 54 2HA GLY 54 -13.708 -8.488 -5.566 362 H GLN 55 H GLN 55 -11.851 -8.023 -6.521 363 HA GLN 55 HA GLN 55 -9.333 -8.645 -5.218 364 HB2 GLN 55 1HB GLN 55 -10.110 -7.770 -7.984 365 HB3 GLN 55 2HB GLN 55 -8.431 -7.709 -7.463 366 HG2 GLN 55 1HG GLN 55 -8.762 -10.173 -6.815 367 HG3 GLN 55 2HG GLN 55 -10.198 -10.093 -7.833 368 HE21 GLN 55 1HE2 GLN 55 -6.825 -8.990 -8.000 369 HE22 GLN 55 2HE2 GLN 55 -6.538 -9.568 -9.602 370 H PHE 56 H PHE 56 -7.530 -6.971 -5.515 371 HA PHE 56 HA PHE 56 -8.561 -4.363 -4.622 372 HB2 PHE 56 1HB PHE 56 -5.880 -5.651 -4.065 373 HB3 PHE 56 2HB PHE 56 -6.398 -4.075 -3.475 374 HD1 PHE 56 1HD PHE 56 -7.725 -7.566 -3.532 375 HD2 PHE 56 2HD PHE 56 -7.069 -4.007 -1.292 376 HE1 PHE 56 1HE PHE 56 -8.707 -8.639 -1.548 377 HE2 PHE 56 2HE PHE 56 -8.050 -5.074 0.696 378 HZ PHE 56 HZ PHE 56 -8.870 -7.393 0.571 379 H ARG 57 H ARG 57 -7.815 -2.485 -5.534 380 HA ARG 57 HA ARG 57 -6.107 -2.800 -7.915 381 HB2 ARG 57 1HB ARG 57 -7.293 -0.847 -8.857 382 HB3 ARG 57 2HB ARG 57 -8.370 -2.202 -8.548 383 HG2 ARG 57 1HG ARG 57 -8.866 -1.026 -6.315 384 HG3 ARG 57 2HG ARG 57 -8.142 0.392 -7.077 385 HD2 ARG 57 1HD ARG 57 -10.355 0.687 -7.619 386 HD3 ARG 57 2HD ARG 57 -9.778 -0.196 -9.032 387 HE ARG 57 HE ARG 57 -10.775 -1.942 -7.008 388 HH11 ARG 57 2HH1 ARG 57 -11.724 0.175 -9.604 389 HH12 ARG 57 1HH1 ARG 57 -13.217 -0.651 -9.906 390 HH21 ARG 57 2HH2 ARG 57 -12.738 -3.038 -7.397 391 HH22 ARG 57 1HH2 ARG 57 -13.793 -2.478 -8.649 392 H GLU 58 H GLU 58 -4.595 -1.160 -8.376 393 HA GLU 58 HA GLU 58 -3.308 -0.061 -6.113 394 HB2 GLU 58 1HB GLU 58 -2.947 0.386 -9.073 395 HB3 GLU 58 2HB GLU 58 -1.940 1.176 -7.868 396 HG2 GLU 58 1HG GLU 58 -1.010 -0.856 -7.153 397 HG3 GLU 58 2HG GLU 58 -2.248 -1.804 -7.975 398 H VAL 59 H VAL 59 -3.756 1.725 -5.019 399 HA VAL 59 HA VAL 59 -5.532 3.721 -6.226 400 HB VAL 59 HB VAL 59 -5.828 4.573 -3.927 401 HG11 VAL 59 1HG1 VAL 59 -7.435 3.051 -3.431 402 HG12 VAL 59 2HG1 VAL 59 -7.036 2.474 -5.050 403 HG13 VAL 59 3HG1 VAL 59 -6.352 1.675 -3.634 404 HG21 VAL 59 1HG2 VAL 59 -4.092 2.232 -3.145 405 HG22 VAL 59 2HG2 VAL 59 -3.652 3.935 -3.021 406 HG23 VAL 59 3HG2 VAL 59 -4.961 3.289 -2.032 407 H TYR 60 H TYR 60 -2.346 3.320 -4.828 408 HA TYR 60 HA TYR 60 -1.546 5.881 -5.949 409 HB2 TYR 60 1HB TYR 60 -1.972 6.794 -3.875 410 HB3 TYR 60 2HB TYR 60 -1.644 5.289 -3.025 411 HD1 TYR 60 2HD TYR 60 -0.096 8.224 -4.634 412 HD2 TYR 60 1HD TYR 60 0.551 4.767 -2.239 413 HE1 TYR 60 2HE TYR 60 2.156 9.039 -4.076 414 HE2 TYR 60 1HE TYR 60 2.805 5.573 -1.674 415 HH TYR 60 HH TYR 60 4.533 7.218 -2.903 416 H VAL 61 H VAL 61 0.780 6.145 -6.043 417 HA VAL 61 HA VAL 61 2.493 3.944 -5.347 418 HB VAL 61 HB VAL 61 1.943 4.492 -8.266 419 HG11 VAL 61 1HG1 VAL 61 4.358 4.111 -7.645 420 HG12 VAL 61 2HG1 VAL 61 3.881 2.493 -7.126 421 HG13 VAL 61 3HG1 VAL 61 3.678 2.976 -8.810 422 HG21 VAL 61 1HG2 VAL 61 1.355 2.060 -8.278 423 HG22 VAL 61 2HG2 VAL 61 1.442 2.090 -6.517 424 HG23 VAL 61 3HG2 VAL 61 0.246 3.076 -7.357 425 H GLY 62 H GLY 62 4.426 4.755 -4.861 426 HA2 GLY 62 1HA GLY 62 5.860 6.594 -6.427 427 HA3 GLY 62 2HA GLY 62 5.045 7.481 -5.146 428 H LYS 63 H LYS 63 6.925 8.080 -4.095 429 HA LYS 63 HA LYS 63 8.315 5.883 -2.715 430 HB2 LYS 63 1HB LYS 63 10.357 7.424 -2.770 431 HB3 LYS 63 2HB LYS 63 9.922 6.612 -4.269 432 HG2 LYS 63 1HG LYS 63 10.301 8.716 -5.049 433 HG3 LYS 63 2HG LYS 63 8.576 8.833 -4.693 434 HD2 LYS 63 1HD LYS 63 9.327 10.736 -3.664 435 HD3 LYS 63 2HD LYS 63 9.466 9.590 -2.327 436 HE2 LYS 63 1HE LYS 63 11.531 10.574 -2.241 437 HE3 LYS 63 2HE LYS 63 11.872 9.226 -3.325 438 HZ1 LYS 63 1HZ LYS 63 12.579 11.663 -3.921 439 HZ2 LYS 63 2HZ LYS 63 10.994 11.758 -4.504 440 HZ3 LYS 63 3HZ LYS 63 12.052 10.591 -5.120 441 H GLU 64 H GLU 64 6.100 7.909 -2.086 442 HA GLU 64 HA GLU 64 7.274 9.477 0.049 443 HB2 GLU 64 1HB GLU 64 4.339 9.134 -0.556 444 HB3 GLU 64 2HB GLU 64 5.109 10.443 0.329 445 HG2 GLU 64 1HG GLU 64 6.305 11.028 -1.809 446 HG3 GLU 64 2HG GLU 64 5.237 9.883 -2.618 447 H THR 65 H THR 65 5.918 9.454 2.184 448 HA THR 65 HA THR 65 5.574 6.643 3.006 449 HB THR 65 HB THR 65 6.451 7.187 5.197 450 HG1 THR 65 1HG THR 65 6.099 9.244 5.682 451 HG21 THR 65 1HG2 THR 65 8.055 7.718 2.769 452 HG22 THR 65 2HG2 THR 65 8.295 6.529 4.050 453 HG23 THR 65 3HG2 THR 65 8.771 8.208 4.304 454 H MET 66 H MET 66 3.750 9.042 2.201 455 HA MET 66 HA MET 66 1.641 8.359 4.021 456 HB2 MET 66 1HB MET 66 3.130 10.263 5.071 457 HB3 MET 66 2HB MET 66 2.236 11.289 3.957 458 HG2 MET 66 1HG MET 66 0.145 10.617 4.953 459 HG3 MET 66 2HG MET 66 0.982 9.480 6.007 460 HE1 MET 66 1HE MET 66 -0.039 13.713 6.591 461 HE2 MET 66 2HE MET 66 -0.660 12.444 5.535 462 HE3 MET 66 3HE MET 66 -0.957 12.369 7.272 463 H CYS 67 H CYS 67 -0.087 8.179 2.770 464 HA CYS 67 HA CYS 67 -0.524 10.166 0.653 465 HB2 CYS 67 1HB CYS 67 0.401 8.206 -0.448 466 HB3 CYS 67 2HB CYS 67 -0.778 7.168 0.346 467 HG CYS 67 HG CYS 67 -2.578 7.349 -1.469 468 H THR 68 H THR 68 -2.630 10.754 0.314 469 HA THR 68 HA THR 68 -4.630 9.514 2.091 470 HB THR 68 HB THR 68 -4.654 12.396 1.191 471 HG1 THR 68 1HG THR 68 -3.621 11.203 3.559 472 HG21 THR 68 1HG2 THR 68 -6.824 11.881 1.819 473 HG22 THR 68 2HG2 THR 68 -6.136 12.461 3.336 474 HG23 THR 68 3HG2 THR 68 -6.304 10.729 3.048 475 H VAL 69 H VAL 69 -6.593 8.989 1.253 476 HA VAL 69 HA VAL 69 -6.911 9.353 -1.649 477 HB VAL 69 HB VAL 69 -6.824 7.010 -0.817 478 HG11 VAL 69 1HG1 VAL 69 -8.489 6.091 0.560 479 HG12 VAL 69 2HG1 VAL 69 -8.044 7.609 1.341 480 HG13 VAL 69 3HG1 VAL 69 -9.528 7.506 0.394 481 HG21 VAL 69 1HG2 VAL 69 -9.194 8.120 -2.248 482 HG22 VAL 69 2HG2 VAL 69 -7.872 7.127 -2.863 483 HG23 VAL 69 3HG2 VAL 69 -9.139 6.396 -1.876 484 H ASP 70 H ASP 70 -8.869 10.044 -2.511 485 HA ASP 70 HA ASP 70 -10.785 11.170 -0.576 486 HB2 ASP 70 1HB ASP 70 -9.799 13.095 -1.425 487 HB3 ASP 70 2HB ASP 70 -9.557 12.390 -3.021 488 H GLY 71 H GLY 71 -12.965 11.048 -1.084 489 HA2 GLY 71 1HA GLY 71 -14.854 10.448 -2.308 490 HA3 GLY 71 2HA GLY 71 -13.808 9.932 -3.622 491 H LEU 72 H LEU 72 -14.584 9.005 -0.268 492 HA LEU 72 HA LEU 72 -14.362 6.190 -1.098 493 HB2 LEU 72 1HB LEU 72 -14.120 7.461 1.623 494 HB3 LEU 72 2HB LEU 72 -14.126 5.722 1.339 495 HG LEU 72 HG LEU 72 -12.054 7.636 0.266 496 HD11 LEU 72 1HD1 LEU 72 -12.197 7.218 2.815 497 HD12 LEU 72 2HD1 LEU 72 -10.643 7.045 2.002 498 HD13 LEU 72 3HD1 LEU 72 -11.584 5.613 2.418 499 HD21 LEU 72 1HD2 LEU 72 -10.839 5.674 -0.379 500 HD22 LEU 72 2HD2 LEU 72 -12.460 5.573 -1.066 501 HD23 LEU 72 3HD2 LEU 72 -12.046 4.623 0.362 502 H HIS 73 H HIS 73 -16.139 4.982 -1.155 503 HA HIS 73 HA HIS 73 -18.704 6.003 -0.801 504 HB2 HIS 73 1HB HIS 73 -17.871 3.853 -2.028 505 HB3 HIS 73 2HB HIS 73 -18.154 3.071 -0.475 506 HD1 HIS 73 1HD HIS 73 -20.518 2.440 0.071 507 HD2 HIS 73 2HD HIS 73 -20.263 4.984 -3.204 508 HE1 HIS 73 1HE HIS 73 -22.839 2.530 -0.893 509 HE2 HIS 73 2HE HIS 73 -22.642 4.008 -2.924 510 H PHE 74 H PHE 74 -20.262 5.774 0.805 511 HA PHE 74 HA PHE 74 -19.167 5.275 3.482 512 HB2 PHE 74 1HB PHE 74 -21.219 6.517 4.257 513 HB3 PHE 74 2HB PHE 74 -20.096 7.471 3.292 514 HD1 PHE 74 1HD PHE 74 -20.611 7.701 0.789 515 HD2 PHE 74 2HD PHE 74 -23.457 6.401 3.674 516 HE1 PHE 74 1HE PHE 74 -22.437 8.296 -0.749 517 HE2 PHE 74 2HE PHE 74 -25.288 6.992 2.140 518 HZ PHE 74 HZ PHE 74 -24.779 7.941 -0.075 519 H ASN 75 H ASN 75 -20.991 4.532 5.071 520 HA ASN 75 HA ASN 75 -22.062 2.637 5.787 521 HB2 ASN 75 1HB ASN 75 -23.821 4.144 4.633 522 HB3 ASN 75 2HB ASN 75 -23.786 2.946 3.342 523 HD21 ASN 75 1HD2 ASN 75 -25.794 3.794 5.455 524 HD22 ASN 75 2HD2 ASN 75 -26.316 2.301 6.150 525 H SER 76 H SER 76 -19.798 1.944 4.374 526 HA SER 76 HA SER 76 -20.518 -0.698 3.470 527 HB2 SER 76 1HB SER 76 -19.535 1.405 1.580 528 HB3 SER 76 2HB SER 76 -19.022 -0.265 1.342 529 HG SER 76 HG SER 76 -21.704 0.657 1.499 530 H THR 77 H THR 77 -18.781 -2.147 3.481 531 HA THR 77 HA THR 77 -16.564 -1.313 5.142 532 HB THR 77 HB THR 77 -17.140 -4.041 3.971 533 HG1 THR 77 1HG THR 77 -18.714 -3.953 5.396 534 HG21 THR 77 1HG2 THR 77 -15.569 -4.904 5.520 535 HG22 THR 77 2HG2 THR 77 -15.452 -3.364 6.372 536 HG23 THR 77 3HG2 THR 77 -14.780 -3.528 4.750 537 H TYR 78 H TYR 78 -14.375 -1.464 4.602 538 HA TYR 78 HA TYR 78 -13.750 -1.858 1.759 539 HB2 TYR 78 1HB TYR 78 -13.234 0.551 3.442 540 HB3 TYR 78 2HB TYR 78 -12.018 0.092 2.255 541 HD1 TYR 78 2HD TYR 78 -12.617 0.032 -0.160 542 HD2 TYR 78 1HD TYR 78 -15.294 1.547 2.780 543 HE1 TYR 78 2HE TYR 78 -13.913 1.152 -1.925 544 HE2 TYR 78 1HE TYR 78 -16.597 2.670 1.023 545 HH TYR 78 HH TYR 78 -15.464 3.063 -2.139 546 H ASN 79 H ASN 79 -11.488 -2.316 1.336 547 HA ASN 79 HA ASN 79 -9.927 -3.181 3.656 548 HB2 ASN 79 1HB ASN 79 -10.752 -4.936 1.344 549 HB3 ASN 79 2HB ASN 79 -9.377 -5.317 2.376 550 HD21 ASN 79 1HD2 ASN 79 -12.846 -4.815 2.315 551 HD22 ASN 79 2HD2 ASN 79 -13.192 -5.728 3.741 552 H ALA 80 H ALA 80 -8.127 -2.019 3.460 553 HA ALA 80 HA ALA 80 -6.959 -1.649 0.786 554 HB1 ALA 80 1HB ALA 80 -7.460 0.428 1.919 555 HB2 ALA 80 2HB ALA 80 -6.519 -0.079 3.322 556 HB3 ALA 80 3HB ALA 80 -5.713 0.226 1.784 557 H ARG 81 H ARG 81 -4.469 -1.390 0.913 558 HA ARG 81 HA ARG 81 -3.032 -2.824 2.887 559 HB2 ARG 81 1HB ARG 81 -2.420 -4.805 1.631 560 HB3 ARG 81 2HB ARG 81 -4.168 -4.735 1.808 561 HG2 ARG 81 1HG ARG 81 -4.243 -3.724 -0.500 562 HG3 ARG 81 2HG ARG 81 -2.535 -4.145 -0.642 563 HD2 ARG 81 1HD ARG 81 -3.124 -6.503 -0.167 564 HD3 ARG 81 2HD ARG 81 -4.827 -6.044 -0.153 565 HE ARG 81 HE ARG 81 -3.882 -5.170 -2.568 566 HH11 ARG 81 2HH1 ARG 81 -4.008 -8.228 -0.909 567 HH12 ARG 81 1HH1 ARG 81 -4.109 -9.162 -2.365 568 HH21 ARG 81 2HH2 ARG 81 -4.014 -6.388 -4.492 569 HH22 ARG 81 1HH2 ARG 81 -4.111 -8.114 -4.402 570 H VAL 82 H VAL 82 -0.981 -2.153 2.825 571 HA VAL 82 HA VAL 82 -0.021 -0.891 0.342 572 HB VAL 82 HB VAL 82 -0.207 0.707 2.158 573 HG11 VAL 82 1HG1 VAL 82 1.680 -1.081 3.688 574 HG12 VAL 82 2HG1 VAL 82 1.050 0.479 4.222 575 HG13 VAL 82 3HG1 VAL 82 -0.041 -0.892 4.018 576 HG21 VAL 82 1HG2 VAL 82 2.103 1.527 2.205 577 HG22 VAL 82 2HG2 VAL 82 2.666 -0.031 1.600 578 HG23 VAL 82 3HG2 VAL 82 1.637 0.987 0.592 579 H LYS 83 H LYS 83 2.011 -1.360 -0.435 580 HA LYS 83 HA LYS 83 3.655 -3.290 1.021 581 HB2 LYS 83 1HB LYS 83 3.862 -4.773 -0.872 582 HB3 LYS 83 2HB LYS 83 2.158 -4.589 -0.477 583 HG2 LYS 83 1HG LYS 83 1.686 -3.470 -2.401 584 HG3 LYS 83 2HG LYS 83 3.306 -2.780 -2.529 585 HD2 LYS 83 1HD LYS 83 4.137 -5.087 -3.072 586 HD3 LYS 83 2HD LYS 83 2.450 -5.601 -3.163 587 HE2 LYS 83 1HE LYS 83 2.275 -3.535 -4.795 588 HE3 LYS 83 2HE LYS 83 4.004 -3.824 -4.979 589 HZ1 LYS 83 1HZ LYS 83 2.123 -6.071 -5.235 590 HZ2 LYS 83 2HZ LYS 83 3.652 -5.870 -5.929 591 HZ3 LYS 83 3HZ LYS 83 2.329 -5.008 -6.535 592 H ALA 84 H ALA 84 5.754 -3.689 -0.302 593 HA ALA 84 HA ALA 84 6.628 -1.110 -1.434 594 HB1 ALA 84 1HB ALA 84 8.196 -1.003 0.128 595 HB2 ALA 84 2HB ALA 84 7.632 -2.527 0.816 596 HB3 ALA 84 3HB ALA 84 8.868 -2.531 -0.443 597 H PHE 85 H PHE 85 8.465 -1.259 -2.939 598 HA PHE 85 HA PHE 85 9.099 -3.783 -4.139 599 HB2 PHE 85 1HB PHE 85 8.045 -3.541 -6.235 600 HB3 PHE 85 2HB PHE 85 6.795 -3.148 -5.060 601 HD1 PHE 85 2HD PHE 85 6.296 -0.718 -4.600 602 HD2 PHE 85 1HD PHE 85 8.683 -2.009 -7.880 603 HE1 PHE 85 2HE PHE 85 5.931 1.446 -5.713 604 HE2 PHE 85 1HE PHE 85 8.323 0.153 -8.997 605 HZ PHE 85 HZ PHE 85 6.944 1.884 -7.915 606 H ASN 86 H ASN 86 11.035 -3.685 -5.122 607 HA ASN 86 HA ASN 86 12.036 -1.135 -6.119 608 HB2 ASN 86 1HB ASN 86 14.115 -1.279 -4.852 609 HB3 ASN 86 2HB ASN 86 12.741 -1.222 -3.752 610 HD21 ASN 86 1HD2 ASN 86 14.044 -2.138 -2.129 611 HD22 ASN 86 2HD2 ASN 86 14.407 -3.827 -2.119 612 H LYS 87 H LYS 87 14.448 -1.594 -6.918 613 HA LYS 87 HA LYS 87 14.462 -2.964 -9.197 614 HB2 LYS 87 1HB LYS 87 16.746 -2.957 -7.216 615 HB3 LYS 87 2HB LYS 87 16.896 -3.363 -8.920 616 HG2 LYS 87 1HG LYS 87 16.141 -1.100 -9.508 617 HG3 LYS 87 2HG LYS 87 16.057 -0.700 -7.791 618 HD2 LYS 87 1HD LYS 87 18.577 -1.700 -9.093 619 HD3 LYS 87 2HD LYS 87 18.158 0.014 -9.036 620 HE2 LYS 87 1HE LYS 87 18.371 -1.770 -6.614 621 HE3 LYS 87 2HE LYS 87 19.671 -0.733 -7.201 622 HZ1 LYS 87 1HZ LYS 87 17.972 0.062 -5.369 623 HZ2 LYS 87 2HZ LYS 87 17.070 0.507 -6.728 624 HZ3 LYS 87 3HZ LYS 87 18.624 1.136 -6.502 625 H THR 88 H THR 88 15.129 -4.463 -6.049 626 HA THR 88 HA THR 88 15.760 -7.019 -6.771 627 HB THR 88 HB THR 88 13.859 -6.370 -4.514 628 HG1 THR 88 1HG THR 88 15.651 -5.049 -4.275 629 HG21 THR 88 1HG2 THR 88 15.801 -8.342 -3.871 630 HG22 THR 88 2HG2 THR 88 15.069 -8.785 -5.413 631 HG23 THR 88 3HG2 THR 88 14.052 -8.527 -3.996 632 H GLY 89 H GLY 89 12.425 -6.132 -5.852 633 HA2 GLY 89 1HA GLY 89 11.202 -7.189 -8.159 634 HA3 GLY 89 2HA GLY 89 11.237 -8.434 -6.920 635 H VAL 90 H VAL 90 9.806 -8.357 -5.256 636 HA VAL 90 HA VAL 90 8.341 -5.968 -4.616 637 HB VAL 90 HB VAL 90 6.121 -7.374 -5.018 638 HG11 VAL 90 1HG1 VAL 90 6.793 -5.098 -5.892 639 HG12 VAL 90 2HG1 VAL 90 7.400 -5.929 -7.325 640 HG13 VAL 90 3HG1 VAL 90 5.689 -6.024 -6.908 641 HG21 VAL 90 1HG2 VAL 90 7.169 -9.331 -5.944 642 HG22 VAL 90 2HG2 VAL 90 6.257 -8.522 -7.218 643 HG23 VAL 90 3HG2 VAL 90 8.011 -8.360 -7.151 644 H SER 91 H SER 91 6.920 -6.249 -2.783 645 HA SER 91 HA SER 91 7.588 -8.648 -1.206 646 HB2 SER 91 1HB SER 91 7.393 -5.758 -0.458 647 HB3 SER 91 2HB SER 91 6.989 -6.977 0.751 648 HG SER 91 HG SER 91 9.095 -6.867 1.037 649 HA PRO 92 HA PRO 92 3.334 -9.595 -0.712 650 HB2 PRO 92 1HB PRO 92 3.225 -10.446 1.863 651 HB3 PRO 92 2HB PRO 92 3.982 -11.386 0.572 652 HG2 PRO 92 1HG PRO 92 5.255 -9.620 2.626 653 HG3 PRO 92 2HG PRO 92 5.768 -11.217 2.052 654 HD2 PRO 92 1HD PRO 92 6.907 -8.921 1.179 655 HD3 PRO 92 2HD PRO 92 6.746 -10.359 0.150 656 H TYR 93 H TYR 93 1.442 -8.620 -0.190 657 HA TYR 93 HA TYR 93 1.405 -6.014 0.806 658 HB2 TYR 93 1HB TYR 93 -0.848 -8.024 0.615 659 HB3 TYR 93 2HB TYR 93 -1.065 -6.304 0.919 660 HD1 TYR 93 1HD TYR 93 0.136 -4.742 -0.882 661 HD2 TYR 93 2HD TYR 93 -1.075 -8.764 -1.556 662 HE1 TYR 93 1HE TYR 93 0.091 -4.316 -3.304 663 HE2 TYR 93 2HE TYR 93 -1.122 -8.350 -3.980 664 HH TYR 93 HH TYR 93 -0.587 -6.909 -5.613 665 H SER 94 H SER 94 0.728 -5.119 2.758 666 HA SER 94 HA SER 94 1.430 -6.623 5.086 667 HB2 SER 94 1HB SER 94 0.459 -4.437 6.201 668 HB3 SER 94 2HB SER 94 1.997 -4.394 5.340 669 HG SER 94 HG SER 94 0.136 -2.795 4.865 670 H LYS 95 H LYS 95 -0.168 -6.179 7.080 671 HA LYS 95 HA LYS 95 -2.227 -7.980 6.917 672 HB2 LYS 95 1HB LYS 95 -1.363 -7.121 9.038 673 HB3 LYS 95 2HB LYS 95 -2.069 -5.545 8.703 674 HG2 LYS 95 1HG LYS 95 -4.278 -6.400 8.911 675 HG3 LYS 95 2HG LYS 95 -3.691 -8.064 8.965 676 HD2 LYS 95 1HD LYS 95 -2.354 -7.198 11.048 677 HD3 LYS 95 2HD LYS 95 -3.594 -5.942 11.064 678 HE2 LYS 95 1HE LYS 95 -5.331 -7.666 11.144 679 HE3 LYS 95 2HE LYS 95 -4.090 -8.918 11.127 680 HZ1 LYS 95 1HZ LYS 95 -3.401 -8.376 13.257 681 HZ2 LYS 95 2HZ LYS 95 -5.082 -8.215 13.363 682 HZ3 LYS 95 3HZ LYS 95 -4.108 -6.839 13.221 683 H THR 96 H THR 96 -4.316 -7.981 6.288 684 HA THR 96 HA THR 96 -5.237 -5.995 4.504 685 HB THR 96 HB THR 96 -6.928 -8.080 5.892 686 HG1 THR 96 1HG THR 96 -4.964 -8.841 4.724 687 HG21 THR 96 1HG2 THR 96 -8.592 -7.428 4.555 688 HG22 THR 96 2HG2 THR 96 -7.551 -7.501 3.133 689 HG23 THR 96 3HG2 THR 96 -7.605 -6.036 4.112 690 H LEU 97 H LEU 97 -5.351 -3.985 5.450 691 HA LEU 97 HA LEU 97 -6.723 -3.557 7.939 692 HB2 LEU 97 1HB LEU 97 -4.884 -2.126 7.395 693 HB3 LEU 97 2HB LEU 97 -5.625 -1.675 5.861 694 HG LEU 97 HG LEU 97 -7.505 -0.677 7.340 695 HD11 LEU 97 1HD1 LEU 97 -7.031 -1.430 9.482 696 HD12 LEU 97 2HD1 LEU 97 -6.406 0.219 9.493 697 HD13 LEU 97 3HD1 LEU 97 -5.300 -1.142 9.310 698 HD21 LEU 97 1HD2 LEU 97 -6.209 1.430 7.567 699 HD22 LEU 97 2HD2 LEU 97 -6.082 0.689 5.971 700 HD23 LEU 97 3HD2 LEU 97 -4.754 0.537 7.123 701 H VAL 98 H VAL 98 -8.781 -2.930 8.271 702 HA VAL 98 HA VAL 98 -10.510 -2.715 5.905 703 HB VAL 98 HB VAL 98 -11.231 -3.335 8.773 704 HG11 VAL 98 1HG1 VAL 98 -12.964 -3.223 6.306 705 HG12 VAL 98 2HG1 VAL 98 -13.477 -3.806 7.891 706 HG13 VAL 98 3HG1 VAL 98 -13.020 -2.115 7.676 707 HG21 VAL 98 1HG2 VAL 98 -11.366 -5.556 8.207 708 HG22 VAL 98 2HG2 VAL 98 -11.620 -5.219 6.494 709 HG23 VAL 98 3HG2 VAL 98 -10.012 -5.047 7.198 710 H LEU 99 H LEU 99 -11.499 -0.860 5.424 711 HA LEU 99 HA LEU 99 -11.297 1.349 7.353 712 HB2 LEU 99 1HB LEU 99 -11.443 1.256 4.360 713 HB3 LEU 99 2HB LEU 99 -11.822 2.731 5.247 714 HG LEU 99 HG LEU 99 -9.506 2.636 4.333 715 HD11 LEU 99 1HD1 LEU 99 -8.417 3.363 6.445 716 HD12 LEU 99 2HD1 LEU 99 -9.846 2.816 7.321 717 HD13 LEU 99 3HD1 LEU 99 -9.980 4.126 6.149 718 HD21 LEU 99 1HD2 LEU 99 -9.347 0.118 4.913 719 HD22 LEU 99 2HD2 LEU 99 -8.861 0.687 6.510 720 HD23 LEU 99 3HD2 LEU 99 -7.915 1.132 5.089 721 H GLN 100 H GLN 100 -13.201 0.390 8.434 722 HA GLN 100 HA GLN 100 -15.725 0.302 7.139 723 HB2 GLN 100 1HB GLN 100 -14.760 0.137 9.951 724 HB3 GLN 100 2HB GLN 100 -16.462 0.497 9.690 725 HG2 GLN 100 1HG GLN 100 -16.914 -1.564 8.832 726 HG3 GLN 100 2HG GLN 100 -15.277 -1.790 8.217 727 HE21 GLN 100 1HE2 GLN 100 -13.780 -2.784 9.462 728 HE22 GLN 100 2HE2 GLN 100 -14.104 -3.442 11.027 729 H THR 101 H THR 101 -16.616 2.064 6.282 730 HA THR 101 HA THR 101 -16.189 4.686 7.418 731 HB THR 101 HB THR 101 -17.552 5.513 5.555 732 HG1 THR 101 1HG THR 101 -17.871 2.751 4.912 733 HG21 THR 101 1HG2 THR 101 -15.793 3.466 4.284 734 HG22 THR 101 2HG2 THR 101 -15.066 4.661 5.358 735 HG23 THR 101 3HG2 THR 101 -15.958 5.185 3.931 736 H SER 102 H SER 102 -18.196 6.152 7.571 737 HA SER 102 HA SER 102 -20.142 4.775 9.283 738 HB2 SER 102 1HB SER 102 -20.561 6.901 10.323 739 HB3 SER 102 2HB SER 102 -18.812 6.703 10.211 740 HG SER 102 HG SER 102 -19.008 8.644 9.363 741 H GLU 103 H GLU 103 -22.379 5.817 9.272 742 HA GLU 103 HA GLU 103 -23.443 5.587 6.639 743 HB2 GLU 103 1HB GLU 103 -25.611 6.056 7.702 744 HB3 GLU 103 2HB GLU 103 -24.711 4.820 8.571 745 HG2 GLU 103 1HG GLU 103 -23.947 6.632 10.137 746 HG3 GLU 103 2HG GLU 103 -25.115 7.692 9.350 747 H GLY 104 H GLY 104 -24.411 7.144 5.341 748 HA2 GLY 104 1HA GLY 104 -23.194 9.631 5.164 749 HA3 GLY 104 2HA GLY 104 -24.728 9.219 4.412 750 H SER 105 H SER 105 -23.174 11.031 6.830 751 HA SER 105 HA SER 105 -25.601 11.542 8.345 752 HB2 SER 105 1HB SER 105 -22.714 12.243 8.650 753 HB3 SER 105 2HB SER 105 -23.910 13.268 9.443 754 HG SER 105 HG SER 105 -23.223 11.557 10.795 755 H GLY 106 H GLY 106 -25.931 13.984 8.908 756 HA2 GLY 106 1HA GLY 106 -26.944 15.276 6.680 757 HA3 GLY 106 2HA GLY 106 -26.555 16.077 8.195 758 HA PRO 107 HA PRO 107 -23.848 17.723 4.749 759 HB2 PRO 107 1HB PRO 107 -24.545 20.327 5.073 760 HB3 PRO 107 2HB PRO 107 -25.429 19.220 4.016 761 HG2 PRO 107 1HG PRO 107 -26.077 20.101 6.803 762 HG3 PRO 107 2HG PRO 107 -27.157 19.918 5.408 763 HD2 PRO 107 1HD PRO 107 -26.982 18.059 7.369 764 HD3 PRO 107 2HD PRO 107 -27.326 17.635 5.679 765 H SER 108 H SER 108 -24.612 19.417 7.800 766 HA SER 108 HA SER 108 -23.272 20.481 9.314 767 HB2 SER 108 1HB SER 108 -21.736 17.956 8.712 768 HB3 SER 108 2HB SER 108 -21.210 19.096 9.950 769 HG SER 108 HG SER 108 -23.545 17.523 9.861 770 H SER 109 H SER 109 -23.010 21.564 6.775 771 HA SER 109 HA SER 109 -20.159 22.306 6.741 772 HB2 SER 109 1HB SER 109 -20.776 20.935 4.764 773 HB3 SER 109 2HB SER 109 -21.992 22.138 4.337 774 HG SER 109 HG SER 109 -20.423 23.080 3.315 775 H GLY 110 H GLY 110 -23.461 23.354 5.959 776 HA2 GLY 110 1HA GLY 110 -22.604 26.117 6.560 777 HA3 GLY 110 2HA GLY 110 -23.695 25.753 5.231 Start of MODEL 15 1 H1 GLY 1 H GLY 1 27.528 5.187 -7.601 2 HA2 GLY 1 1HA GLY 1 27.823 2.522 -8.616 3 HA3 GLY 1 2HA GLY 1 27.173 2.974 -7.047 4 H SER 2 H SER 2 25.015 2.935 -6.732 5 HA SER 2 HA SER 2 23.198 2.912 -8.996 6 HB2 SER 2 1HB SER 2 23.797 0.509 -7.331 7 HB3 SER 2 2HB SER 2 22.127 0.776 -7.828 8 HG SER 2 HG SER 2 24.097 1.030 -9.780 9 H SER 3 H SER 3 21.044 3.352 -8.438 10 HA SER 3 HA SER 3 20.761 4.725 -5.898 11 HB2 SER 3 1HB SER 3 19.038 4.542 -8.368 12 HB3 SER 3 2HB SER 3 18.474 5.323 -6.890 13 HG SER 3 HG SER 3 19.561 7.004 -7.489 14 H GLY 4 H GLY 4 20.919 1.785 -5.971 15 HA2 GLY 4 1HA GLY 4 19.268 1.040 -3.962 16 HA3 GLY 4 2HA GLY 4 18.256 0.829 -5.383 17 H SER 5 H SER 5 18.133 -1.272 -5.807 18 HA SER 5 HA SER 5 18.705 -3.462 -6.085 19 HB2 SER 5 1HB SER 5 21.216 -2.137 -7.133 20 HB3 SER 5 2HB SER 5 20.813 -3.837 -7.371 21 HG SER 5 HG SER 5 19.292 -3.301 -8.771 22 H SER 6 H SER 6 19.095 -2.550 -3.477 23 HA SER 6 HA SER 6 21.604 -3.075 -2.367 24 HB2 SER 6 1HB SER 6 20.429 -3.305 -0.231 25 HB3 SER 6 2HB SER 6 19.773 -1.950 -1.148 26 HG SER 6 HG SER 6 18.142 -3.523 -1.886 27 H GLY 7 H GLY 7 18.788 -5.233 -2.702 28 HA2 GLY 7 1HA GLY 7 20.176 -7.515 -3.402 29 HA3 GLY 7 2HA GLY 7 20.141 -7.509 -1.645 30 HA PRO 8 HA PRO 8 16.293 -9.634 -2.001 31 HB2 PRO 8 1HB PRO 8 15.498 -9.387 0.582 32 HB3 PRO 8 2HB PRO 8 16.766 -10.506 0.071 33 HG2 PRO 8 1HG PRO 8 17.021 -7.789 1.301 34 HG3 PRO 8 2HG PRO 8 17.933 -9.267 1.656 35 HD2 PRO 8 1HD PRO 8 18.918 -7.286 0.095 36 HD3 PRO 8 2HD PRO 8 19.323 -8.996 -0.163 37 H VAL 9 H VAL 9 13.980 -9.271 -1.641 38 HA VAL 9 HA VAL 9 13.097 -6.800 -2.569 39 HB VAL 9 HB VAL 9 10.817 -7.565 -1.697 40 HG11 VAL 9 1HG1 VAL 9 10.536 -9.086 -3.491 41 HG12 VAL 9 2HG1 VAL 9 11.779 -7.942 -4.000 42 HG13 VAL 9 3HG1 VAL 9 12.235 -9.556 -3.452 43 HG21 VAL 9 1HG2 VAL 9 10.693 -9.278 -0.289 44 HG22 VAL 9 2HG2 VAL 9 11.568 -10.311 -1.420 45 HG23 VAL 9 3HG2 VAL 9 12.455 -9.341 -0.245 46 HA PRO 10 HA PRO 10 12.893 -4.141 0.919 47 HB2 PRO 10 1HB PRO 10 10.699 -2.659 0.317 48 HB3 PRO 10 2HB PRO 10 12.238 -2.486 -0.534 49 HG2 PRO 10 1HG PRO 10 9.782 -3.991 -1.349 50 HG3 PRO 10 2HG PRO 10 10.834 -2.951 -2.328 51 HD2 PRO 10 1HD PRO 10 10.997 -5.653 -2.385 52 HD3 PRO 10 2HD PRO 10 12.411 -4.606 -2.619 53 H ALA 11 H ALA 11 12.334 -4.783 2.898 54 HA ALA 11 HA ALA 11 10.436 -6.542 3.689 55 HB1 ALA 11 1HB ALA 11 11.841 -4.326 5.027 56 HB2 ALA 11 2HB ALA 11 10.392 -4.920 5.839 57 HB3 ALA 11 3HB ALA 11 11.715 -6.028 5.473 58 H THR 12 H THR 12 8.284 -6.615 3.948 59 HA THR 12 HA THR 12 6.563 -4.845 2.717 60 HB THR 12 HB THR 12 5.953 -6.677 5.044 61 HG1 THR 12 1HG THR 12 5.465 -7.107 2.277 62 HG21 THR 12 1HG2 THR 12 4.305 -4.745 4.381 63 HG22 THR 12 2HG2 THR 12 3.695 -6.372 4.684 64 HG23 THR 12 3HG2 THR 12 3.927 -5.810 3.028 65 HA PRO 13 HA PRO 13 6.392 -1.352 5.412 66 HB2 PRO 13 1HB PRO 13 4.105 -0.246 4.454 67 HB3 PRO 13 2HB PRO 13 5.642 -0.180 3.583 68 HG2 PRO 13 1HG PRO 13 3.320 -2.027 3.188 69 HG3 PRO 13 2HG PRO 13 4.308 -1.196 1.973 70 HD2 PRO 13 1HD PRO 13 4.673 -3.801 2.612 71 HD3 PRO 13 2HD PRO 13 6.009 -2.744 2.113 72 H ILE 14 H ILE 14 5.354 -0.679 7.269 73 HA ILE 14 HA ILE 14 3.563 -2.589 8.478 74 HB ILE 14 HB ILE 14 4.352 0.046 9.691 75 HG12 ILE 14 1HG1 ILE 14 6.396 -1.044 8.848 76 HG13 ILE 14 2HG1 ILE 14 6.346 -1.033 10.608 77 HG21 ILE 14 1HG2 ILE 14 4.158 -2.477 11.226 78 HG22 ILE 14 2HG2 ILE 14 3.693 -0.837 11.674 79 HG23 ILE 14 3HG2 ILE 14 2.654 -1.789 10.614 80 HD11 ILE 14 1HD1 ILE 14 6.322 -3.263 10.736 81 HD12 ILE 14 2HD1 ILE 14 5.208 -3.432 9.379 82 HD13 ILE 14 3HD1 ILE 14 6.930 -3.192 9.083 83 H LEU 15 H LEU 15 1.477 -2.537 7.949 84 HA LEU 15 HA LEU 15 0.156 -0.138 7.097 85 HB2 LEU 15 1HB LEU 15 -0.296 -2.578 6.390 86 HB3 LEU 15 2HB LEU 15 -1.239 -2.673 7.875 87 HG LEU 15 HG LEU 15 -2.750 -0.969 7.078 88 HD11 LEU 15 1HD1 LEU 15 -2.205 -0.533 4.432 89 HD12 LEU 15 2HD1 LEU 15 -0.601 -0.489 5.164 90 HD13 LEU 15 3HD1 LEU 15 -1.867 0.591 5.748 91 HD21 LEU 15 1HD2 LEU 15 -2.177 -3.235 5.196 92 HD22 LEU 15 2HD2 LEU 15 -3.529 -2.133 4.935 93 HD23 LEU 15 3HD2 LEU 15 -3.449 -3.098 6.410 94 H GLN 16 H GLN 16 0.134 1.339 8.757 95 HA GLN 16 HA GLN 16 -1.573 0.633 11.045 96 HB2 GLN 16 1HB GLN 16 0.967 2.267 11.126 97 HB3 GLN 16 2HB GLN 16 -0.159 2.109 12.467 98 HG2 GLN 16 1HG GLN 16 0.963 -0.358 11.242 99 HG3 GLN 16 2HG GLN 16 1.985 0.612 12.302 100 HE21 GLN 16 1HE2 GLN 16 -1.189 -0.937 12.139 101 HE22 GLN 16 2HE2 GLN 16 -1.275 -1.338 13.817 102 H LEU 17 H LEU 17 -3.399 1.702 10.566 103 HA LEU 17 HA LEU 17 -3.346 4.312 9.334 104 HB2 LEU 17 1HB LEU 17 -5.086 2.340 9.113 105 HB3 LEU 17 2HB LEU 17 -5.825 3.144 10.497 106 HG LEU 17 HG LEU 17 -5.232 4.570 7.913 107 HD11 LEU 17 1HD1 LEU 17 -7.008 2.483 8.146 108 HD12 LEU 17 2HD1 LEU 17 -7.069 3.768 6.941 109 HD13 LEU 17 3HD1 LEU 17 -8.016 3.903 8.422 110 HD21 LEU 17 1HD2 LEU 17 -7.442 5.653 9.212 111 HD22 LEU 17 2HD2 LEU 17 -5.817 6.334 9.133 112 HD23 LEU 17 3HD2 LEU 17 -6.281 5.316 10.497 113 H GLU 18 H GLU 18 -3.287 6.188 10.373 114 HA GLU 18 HA GLU 18 -3.595 6.213 13.272 115 HB2 GLU 18 1HB GLU 18 -2.366 8.050 11.261 116 HB3 GLU 18 2HB GLU 18 -2.869 8.707 12.812 117 HG2 GLU 18 1HG GLU 18 -0.826 6.573 12.282 118 HG3 GLU 18 2HG GLU 18 -0.584 8.160 13.010 119 H GLU 19 H GLU 19 -4.894 7.876 10.417 120 HA GLU 19 HA GLU 19 -6.619 9.656 11.582 121 HB2 GLU 19 1HB GLU 19 -6.192 9.335 9.118 122 HB3 GLU 19 2HB GLU 19 -7.322 7.989 9.165 123 HG2 GLU 19 1HG GLU 19 -9.144 9.339 9.421 124 HG3 GLU 19 2HG GLU 19 -8.223 10.620 10.207 125 H CYS 20 H CYS 20 -8.374 9.535 12.820 126 HA CYS 20 HA CYS 20 -9.527 6.897 13.340 127 HB2 CYS 20 1HB CYS 20 -10.531 7.951 15.328 128 HB3 CYS 20 2HB CYS 20 -8.785 8.160 15.293 129 HG CYS 20 HG CYS 20 -11.068 10.431 15.642 130 H CYS 21 H CYS 21 -11.893 6.756 13.645 131 HA CYS 21 HA CYS 21 -13.331 7.331 11.408 132 HB2 CYS 21 1HB CYS 21 -14.297 7.062 14.256 133 HB3 CYS 21 2HB CYS 21 -15.387 7.146 12.878 134 HG CYS 21 HG CYS 21 -14.894 4.474 13.960 135 H THR 22 H THR 22 -13.422 9.280 10.472 136 HA THR 22 HA THR 22 -14.271 11.567 12.129 137 HB THR 22 HB THR 22 -12.744 11.738 9.528 138 HG1 THR 22 1HG THR 22 -10.930 11.683 10.668 139 HG21 THR 22 1HG2 THR 22 -13.625 13.720 11.601 140 HG22 THR 22 2HG2 THR 22 -13.819 13.784 9.850 141 HG23 THR 22 3HG2 THR 22 -12.232 14.045 10.572 142 H HIS 23 H HIS 23 -15.856 12.949 11.338 143 HA HIS 23 HA HIS 23 -18.006 11.911 10.014 144 HB2 HIS 23 1HB HIS 23 -18.606 14.322 9.470 145 HB3 HIS 23 2HB HIS 23 -18.293 13.964 11.166 146 HD1 HIS 23 1HD HIS 23 -16.817 15.745 8.210 147 HD2 HIS 23 2HD HIS 23 -16.108 15.271 12.276 148 HE1 HIS 23 1HE HIS 23 -15.064 17.452 8.790 149 HE2 HIS 23 2HE HIS 23 -14.590 17.090 11.237 150 H ASN 24 H ASN 24 -15.293 13.686 8.581 151 HA ASN 24 HA ASN 24 -16.254 13.788 5.953 152 HB2 ASN 24 1HB ASN 24 -13.468 13.808 7.103 153 HB3 ASN 24 2HB ASN 24 -13.757 13.928 5.370 154 HD21 ASN 24 1HD2 ASN 24 -12.665 15.817 7.421 155 HD22 ASN 24 2HD2 ASN 24 -13.583 17.265 7.209 156 H ASN 25 H ASN 25 -14.913 12.636 4.125 157 HA ASN 25 HA ASN 25 -14.832 9.758 4.754 158 HB2 ASN 25 1HB ASN 25 -15.726 9.288 2.542 159 HB3 ASN 25 2HB ASN 25 -16.816 10.373 3.401 160 HD21 ASN 25 1HD2 ASN 25 -16.639 12.670 2.905 161 HD22 ASN 25 2HD2 ASN 25 -16.215 13.143 1.298 162 H SER 26 H SER 26 -12.535 10.152 5.141 163 HA SER 26 HA SER 26 -11.021 9.890 2.656 164 HB2 SER 26 1HB SER 26 -9.341 11.507 3.333 165 HB3 SER 26 2HB SER 26 -10.920 12.292 3.315 166 HG SER 26 HG SER 26 -9.495 12.634 5.220 167 H ALA 27 H ALA 27 -9.069 8.755 2.866 168 HA ALA 27 HA ALA 27 -8.678 7.434 5.473 169 HB1 ALA 27 1HB ALA 27 -8.939 6.297 2.759 170 HB2 ALA 27 2HB ALA 27 -7.703 5.584 3.797 171 HB3 ALA 27 3HB ALA 27 -9.386 5.619 4.325 172 H THR 28 H THR 28 -6.865 8.214 6.330 173 HA THR 28 HA THR 28 -4.634 8.953 4.590 174 HB THR 28 HB THR 28 -4.927 9.394 7.567 175 HG1 THR 28 1HG THR 28 -5.185 11.670 6.572 176 HG21 THR 28 1HG2 THR 28 -3.216 11.211 6.082 177 HG22 THR 28 2HG2 THR 28 -2.668 9.539 5.962 178 HG23 THR 28 3HG2 THR 28 -2.877 10.287 7.545 179 H LEU 29 H LEU 29 -2.976 7.626 4.292 180 HA LEU 29 HA LEU 29 -2.559 5.443 6.220 181 HB2 LEU 29 1HB LEU 29 -2.293 5.662 3.280 182 HB3 LEU 29 2HB LEU 29 -1.111 4.655 4.113 183 HG LEU 29 HG LEU 29 -3.106 3.450 3.171 184 HD11 LEU 29 1HD1 LEU 29 -3.460 2.098 5.243 185 HD12 LEU 29 2HD1 LEU 29 -2.508 3.297 6.118 186 HD13 LEU 29 3HD1 LEU 29 -1.769 2.363 4.817 187 HD21 LEU 29 1HD2 LEU 29 -5.044 4.535 3.529 188 HD22 LEU 29 2HD2 LEU 29 -4.452 5.334 4.986 189 HD23 LEU 29 3HD2 LEU 29 -5.021 3.666 5.063 190 H SER 30 H SER 30 -0.691 5.290 7.304 191 HA SER 30 HA SER 30 1.571 6.959 6.435 192 HB2 SER 30 1HB SER 30 2.006 7.658 8.697 193 HB3 SER 30 2HB SER 30 0.313 8.006 8.346 194 HG SER 30 HG SER 30 1.308 6.514 10.300 195 H TRP 31 H TRP 31 1.677 4.490 5.620 196 HA TRP 31 HA TRP 31 2.567 2.513 7.402 197 HB2 TRP 31 1HB TRP 31 3.358 1.324 5.441 198 HB3 TRP 31 2HB TRP 31 1.806 2.075 5.081 199 HD1 TRP 31 HD TRP 31 5.533 2.354 4.232 200 HE1 TRP 31 1HE TRP 31 5.782 3.762 2.092 201 HE3 TRP 31 3HE TRP 31 0.683 3.878 3.695 202 HZ2 TRP 31 2HZ TRP 31 4.140 5.314 0.400 203 HZ3 TRP 31 3HZ TRP 31 0.105 5.324 1.789 204 HH2 TRP 31 HH TRP 31 1.799 6.026 0.177 205 H LYS 32 H LYS 32 4.740 1.610 7.581 206 HA LYS 32 HA LYS 32 6.941 3.443 7.039 207 HB2 LYS 32 1HB LYS 32 7.741 3.469 9.307 208 HB3 LYS 32 2HB LYS 32 6.071 4.020 9.305 209 HG2 LYS 32 1HG LYS 32 5.292 2.022 10.246 210 HG3 LYS 32 2HG LYS 32 6.791 1.166 9.879 211 HD2 LYS 32 1HD LYS 32 7.983 2.555 11.501 212 HD3 LYS 32 2HD LYS 32 6.489 3.424 11.860 213 HE2 LYS 32 1HE LYS 32 6.551 0.452 12.121 214 HE3 LYS 32 2HE LYS 32 7.291 1.441 13.379 215 HZ1 LYS 32 1HZ LYS 32 4.463 1.310 12.556 216 HZ2 LYS 32 2HZ LYS 32 5.061 2.686 13.338 217 HZ3 LYS 32 3HZ LYS 32 5.128 1.181 14.107 218 H GLN 33 H GLN 33 9.033 2.306 8.098 219 HA GLN 33 HA GLN 33 9.025 -0.400 6.972 220 HB2 GLN 33 1HB GLN 33 11.087 1.723 7.296 221 HB3 GLN 33 2HB GLN 33 11.626 0.050 7.330 222 HG2 GLN 33 1HG GLN 33 10.144 -0.088 5.145 223 HG3 GLN 33 2HG GLN 33 10.497 1.638 5.098 224 HE21 GLN 33 1HE2 GLN 33 11.380 -0.854 3.548 225 HE22 GLN 33 2HE2 GLN 33 13.095 -0.679 3.453 226 HA PRO 34 HA PRO 34 9.382 -2.252 10.949 227 HB2 PRO 34 1HB PRO 34 10.520 -4.606 10.219 228 HB3 PRO 34 2HB PRO 34 8.822 -4.224 9.913 229 HG2 PRO 34 1HG PRO 34 11.164 -4.065 8.055 230 HG3 PRO 34 2HG PRO 34 9.532 -4.684 7.747 231 HD2 PRO 34 1HD PRO 34 10.327 -2.218 6.961 232 HD3 PRO 34 2HD PRO 34 8.654 -2.576 7.437 233 HA PRO 35 HA PRO 35 13.480 -1.303 12.318 234 HB2 PRO 35 1HB PRO 35 13.331 -2.440 14.778 235 HB3 PRO 35 2HB PRO 35 12.533 -0.915 14.375 236 HG2 PRO 35 1HG PRO 35 11.385 -3.677 14.511 237 HG3 PRO 35 2HG PRO 35 10.703 -2.151 15.104 238 HD2 PRO 35 1HD PRO 35 9.923 -3.287 12.773 239 HD3 PRO 35 2HD PRO 35 9.954 -1.528 13.015 240 H LEU 36 H LEU 36 12.242 -4.492 11.954 241 HA LEU 36 HA LEU 36 14.835 -5.723 12.508 242 HB2 LEU 36 1HB LEU 36 12.248 -7.044 11.710 243 HB3 LEU 36 2HB LEU 36 13.697 -7.838 12.324 244 HG LEU 36 HG LEU 36 12.090 -5.880 13.953 245 HD11 LEU 36 1HD1 LEU 36 11.178 -8.344 13.079 246 HD12 LEU 36 2HD1 LEU 36 10.576 -7.427 14.460 247 HD13 LEU 36 3HD1 LEU 36 11.810 -8.665 14.694 248 HD21 LEU 36 1HD2 LEU 36 14.142 -6.079 14.979 249 HD22 LEU 36 2HD2 LEU 36 14.362 -7.750 14.461 250 HD23 LEU 36 3HD2 LEU 36 13.233 -7.371 15.762 251 H SER 37 H SER 37 14.238 -3.970 10.156 252 HA SER 37 HA SER 37 15.351 -5.762 8.142 253 HB2 SER 37 1HB SER 37 12.758 -5.528 7.949 254 HB3 SER 37 2HB SER 37 13.125 -3.927 7.306 255 HG SER 37 HG SER 37 14.274 -4.875 5.651 256 H THR 38 H THR 38 16.997 -4.829 7.119 257 HA THR 38 HA THR 38 17.236 -1.895 7.261 258 HB THR 38 HB THR 38 19.686 -2.221 7.091 259 HG1 THR 38 1HG THR 38 19.791 -4.248 6.122 260 HG21 THR 38 1HG2 THR 38 18.150 -3.437 9.360 261 HG22 THR 38 2HG2 THR 38 19.003 -1.895 9.293 262 HG23 THR 38 3HG2 THR 38 19.912 -3.403 9.386 263 H VAL 39 H VAL 39 15.856 -3.418 5.187 264 HA VAL 39 HA VAL 39 17.625 -3.083 2.873 265 HB VAL 39 HB VAL 39 14.880 -4.339 3.025 266 HG11 VAL 39 1HG1 VAL 39 14.988 -4.794 0.789 267 HG12 VAL 39 2HG1 VAL 39 15.858 -3.259 0.820 268 HG13 VAL 39 3HG1 VAL 39 16.751 -4.779 0.757 269 HG21 VAL 39 1HG2 VAL 39 16.323 -5.774 4.193 270 HG22 VAL 39 2HG2 VAL 39 16.253 -6.443 2.563 271 HG23 VAL 39 3HG2 VAL 39 17.652 -5.495 3.068 272 HA PRO 40 HA PRO 40 15.706 0.808 1.969 273 HB2 PRO 40 1HB PRO 40 16.768 1.126 -0.509 274 HB3 PRO 40 2HB PRO 40 17.698 1.373 0.973 275 HG2 PRO 40 1HG PRO 40 17.618 -1.009 -0.838 276 HG3 PRO 40 2HG PRO 40 19.016 -0.235 -0.070 277 HD2 PRO 40 1HD PRO 40 17.886 -2.495 0.903 278 HD3 PRO 40 2HD PRO 40 18.642 -1.278 1.951 279 H ALA 41 H ALA 41 14.016 1.614 0.728 280 HA ALA 41 HA ALA 41 12.754 -0.297 -1.129 281 HB1 ALA 41 1HB ALA 41 10.761 -0.145 -0.102 282 HB2 ALA 41 2HB ALA 41 11.719 0.370 1.287 283 HB3 ALA 41 3HB ALA 41 10.956 1.573 0.247 284 H ASP 42 H ASP 42 12.506 0.456 -3.121 285 HA ASP 42 HA ASP 42 13.219 3.091 -3.854 286 HB2 ASP 42 1HB ASP 42 13.428 1.124 -5.354 287 HB3 ASP 42 2HB ASP 42 11.672 1.056 -5.471 288 H GLY 43 H GLY 43 10.068 1.451 -3.660 289 HA2 GLY 43 1HA GLY 43 8.771 3.953 -3.035 290 HA3 GLY 43 2HA GLY 43 8.353 3.317 -4.618 291 H TYR 44 H TYR 44 6.366 3.670 -2.821 292 HA TYR 44 HA TYR 44 5.736 0.917 -1.979 293 HB2 TYR 44 1HB TYR 44 4.721 3.437 -0.656 294 HB3 TYR 44 2HB TYR 44 4.486 1.781 -0.108 295 HD1 TYR 44 2HD TYR 44 6.997 4.459 -0.539 296 HD2 TYR 44 1HD TYR 44 6.128 0.678 1.206 297 HE1 TYR 44 2HE TYR 44 9.034 4.628 0.828 298 HE2 TYR 44 1HE TYR 44 8.163 0.837 2.579 299 HH TYR 44 HH TYR 44 10.599 3.096 1.998 300 H ILE 45 H ILE 45 3.875 0.064 -2.701 301 HA ILE 45 HA ILE 45 2.114 1.814 -4.284 302 HB ILE 45 HB ILE 45 2.522 -1.170 -4.517 303 HG12 ILE 45 1HG1 ILE 45 3.236 0.965 -6.526 304 HG13 ILE 45 2HG1 ILE 45 4.380 0.380 -5.323 305 HG21 ILE 45 1HG2 ILE 45 1.097 0.379 -6.598 306 HG22 ILE 45 2HG2 ILE 45 0.849 -1.277 -6.045 307 HG23 ILE 45 3HG2 ILE 45 0.233 0.073 -5.091 308 HD11 ILE 45 1HD1 ILE 45 3.966 -0.660 -7.839 309 HD12 ILE 45 2HD1 ILE 45 4.830 -1.437 -6.512 310 HD13 ILE 45 3HD1 ILE 45 3.122 -1.785 -6.775 311 H LEU 46 H LEU 46 0.086 2.110 -3.630 312 HA LEU 46 HA LEU 46 -0.891 0.545 -1.360 313 HB2 LEU 46 1HB LEU 46 -1.567 3.206 -2.530 314 HB3 LEU 46 2HB LEU 46 -2.764 2.366 -1.546 315 HG LEU 46 HG LEU 46 -0.008 2.830 -0.477 316 HD11 LEU 46 1HD1 LEU 46 -0.239 5.029 -0.371 317 HD12 LEU 46 2HD1 LEU 46 -1.800 4.854 0.431 318 HD13 LEU 46 3HD1 LEU 46 -1.715 4.907 -1.330 319 HD21 LEU 46 1HD2 LEU 46 -2.700 2.763 0.875 320 HD22 LEU 46 2HD2 LEU 46 -1.111 2.723 1.641 321 HD23 LEU 46 3HD2 LEU 46 -1.659 1.353 0.674 322 H GLU 47 H GLU 47 -3.202 -0.068 -1.334 323 HA GLU 47 HA GLU 47 -4.476 -0.430 -3.915 324 HB2 GLU 47 1HB GLU 47 -3.565 -2.760 -2.223 325 HB3 GLU 47 2HB GLU 47 -4.757 -2.898 -3.508 326 HG2 GLU 47 1HG GLU 47 -2.755 -3.568 -4.489 327 HG3 GLU 47 2HG GLU 47 -2.981 -1.908 -5.039 328 H LEU 48 H LEU 48 -6.686 -0.844 -3.780 329 HA LEU 48 HA LEU 48 -7.962 -1.388 -1.267 330 HB2 LEU 48 1HB LEU 48 -7.599 0.910 -0.843 331 HB3 LEU 48 2HB LEU 48 -8.074 1.359 -2.480 332 HG LEU 48 HG LEU 48 -10.394 0.366 -1.722 333 HD11 LEU 48 1HD1 LEU 48 -9.963 -0.454 0.406 334 HD12 LEU 48 2HD1 LEU 48 -10.696 1.118 0.724 335 HD13 LEU 48 3HD1 LEU 48 -8.947 0.922 0.840 336 HD21 LEU 48 1HD2 LEU 48 -10.475 2.850 -0.482 337 HD22 LEU 48 2HD2 LEU 48 -10.791 2.506 -2.183 338 HD23 LEU 48 3HD2 LEU 48 -9.175 2.988 -1.666 339 H ASP 49 H ASP 49 -10.085 -2.034 -1.504 340 HA ASP 49 HA ASP 49 -10.918 -2.533 -4.253 341 HB2 ASP 49 1HB ASP 49 -12.410 -4.168 -3.367 342 HB3 ASP 49 2HB ASP 49 -10.893 -4.346 -2.490 343 H ASP 50 H ASP 50 -13.470 -2.538 -4.445 344 HA ASP 50 HA ASP 50 -14.258 0.220 -4.009 345 HB2 ASP 50 1HB ASP 50 -16.254 -0.438 -5.391 346 HB3 ASP 50 2HB ASP 50 -14.702 -0.653 -6.196 347 H GLY 51 H GLY 51 -14.053 -1.452 -1.675 348 HA2 GLY 51 1HA GLY 51 -15.213 -1.841 0.267 349 HA3 GLY 51 2HA GLY 51 -16.437 -0.748 -0.362 350 H ASN 52 H ASN 52 -15.568 -3.604 -2.136 351 HA ASN 52 HA ASN 52 -18.236 -4.693 -1.581 352 HB2 ASN 52 1HB ASN 52 -16.355 -4.879 -3.900 353 HB3 ASN 52 2HB ASN 52 -17.514 -6.179 -3.638 354 HD21 ASN 52 1HD2 ASN 52 -17.365 -2.639 -3.769 355 HD22 ASN 52 2HD2 ASN 52 -18.867 -2.437 -4.600 356 H GLY 53 H GLY 53 -14.816 -5.455 -1.465 357 HA2 GLY 53 1HA GLY 53 -13.914 -6.959 0.141 358 HA3 GLY 53 2HA GLY 53 -15.461 -7.792 0.188 359 H GLY 54 H GLY 54 -13.670 -6.896 -2.719 360 HA2 GLY 54 1HA GLY 54 -13.361 -9.781 -3.282 361 HA3 GLY 54 2HA GLY 54 -13.685 -8.574 -4.518 362 H GLN 55 H GLN 55 -11.996 -7.929 -5.667 363 HA GLN 55 HA GLN 55 -9.317 -8.580 -4.715 364 HB2 GLN 55 1HB GLN 55 -8.617 -8.046 -7.028 365 HB3 GLN 55 2HB GLN 55 -9.859 -9.290 -6.964 366 HG2 GLN 55 1HG GLN 55 -10.620 -6.432 -7.371 367 HG3 GLN 55 2HG GLN 55 -10.022 -7.397 -8.719 368 HE21 GLN 55 1HE2 GLN 55 -11.111 -9.671 -8.743 369 HE22 GLN 55 2HE2 GLN 55 -12.834 -9.644 -8.625 370 H PHE 56 H PHE 56 -7.562 -7.011 -5.013 371 HA PHE 56 HA PHE 56 -8.490 -4.275 -4.443 372 HB2 PHE 56 1HB PHE 56 -5.856 -5.510 -3.622 373 HB3 PHE 56 2HB PHE 56 -6.507 -3.956 -3.108 374 HD1 PHE 56 1HD PHE 56 -7.562 -7.538 -3.151 375 HD2 PHE 56 2HD PHE 56 -7.390 -3.869 -1.000 376 HE1 PHE 56 1HE PHE 56 -8.618 -8.628 -1.214 377 HE2 PHE 56 2HE PHE 56 -8.445 -4.953 0.940 378 HZ PHE 56 HZ PHE 56 -9.060 -7.335 0.836 379 H ARG 57 H ARG 57 -7.662 -2.578 -5.569 380 HA ARG 57 HA ARG 57 -5.733 -3.223 -7.703 381 HB2 ARG 57 1HB ARG 57 -6.829 -1.533 -9.091 382 HB3 ARG 57 2HB ARG 57 -7.967 -2.782 -8.604 383 HG2 ARG 57 1HG ARG 57 -7.793 -0.360 -6.908 384 HG3 ARG 57 2HG ARG 57 -8.551 -0.200 -8.493 385 HD2 ARG 57 1HD ARG 57 -9.315 -2.267 -6.436 386 HD3 ARG 57 2HD ARG 57 -10.144 -0.726 -6.653 387 HE ARG 57 HE ARG 57 -9.972 -2.278 -9.061 388 HH11 ARG 57 2HH1 ARG 57 -11.783 -1.736 -6.137 389 HH12 ARG 57 1HH1 ARG 57 -13.263 -2.362 -6.784 390 HH21 ARG 57 2HH2 ARG 57 -11.915 -3.104 -9.923 391 HH22 ARG 57 1HH2 ARG 57 -13.337 -3.141 -8.937 392 H GLU 58 H GLU 58 -4.277 -1.539 -8.335 393 HA GLU 58 HA GLU 58 -3.064 -0.204 -6.203 394 HB2 GLU 58 1HB GLU 58 -2.834 0.048 -9.186 395 HB3 GLU 58 2HB GLU 58 -1.949 1.138 -8.127 396 HG2 GLU 58 1HG GLU 58 -0.382 -0.480 -8.448 397 HG3 GLU 58 2HG GLU 58 -1.172 -1.095 -6.997 398 H VAL 59 H VAL 59 -3.412 1.692 -5.237 399 HA VAL 59 HA VAL 59 -5.407 3.500 -6.433 400 HB VAL 59 HB VAL 59 -5.768 4.359 -4.137 401 HG11 VAL 59 1HG1 VAL 59 -6.571 1.862 -5.219 402 HG12 VAL 59 2HG1 VAL 59 -6.366 1.663 -3.478 403 HG13 VAL 59 3HG1 VAL 59 -7.447 2.909 -4.104 404 HG21 VAL 59 1HG2 VAL 59 -4.900 3.012 -2.240 405 HG22 VAL 59 2HG2 VAL 59 -3.884 2.128 -3.379 406 HG23 VAL 59 3HG2 VAL 59 -3.637 3.858 -3.136 407 H TYR 60 H TYR 60 -2.191 3.256 -5.124 408 HA TYR 60 HA TYR 60 -1.492 5.811 -6.258 409 HB2 TYR 60 1HB TYR 60 -2.030 6.881 -4.309 410 HB3 TYR 60 2HB TYR 60 -1.814 5.436 -3.328 411 HD1 TYR 60 1HD TYR 60 0.436 4.781 -2.562 412 HD2 TYR 60 2HD TYR 60 -0.217 8.404 -4.694 413 HE1 TYR 60 1HE TYR 60 2.634 5.602 -1.827 414 HE2 TYR 60 2HE TYR 60 1.980 9.235 -3.966 415 HH TYR 60 HH TYR 60 4.357 7.533 -2.980 416 H VAL 61 H VAL 61 0.684 6.002 -6.676 417 HA VAL 61 HA VAL 61 2.494 3.957 -5.627 418 HB VAL 61 HB VAL 61 2.087 4.484 -8.574 419 HG11 VAL 61 1HG1 VAL 61 4.293 3.157 -7.065 420 HG12 VAL 61 2HG1 VAL 61 3.839 2.543 -8.656 421 HG13 VAL 61 3HG1 VAL 61 4.370 4.216 -8.473 422 HG21 VAL 61 1HG2 VAL 61 0.619 2.816 -8.393 423 HG22 VAL 61 2HG2 VAL 61 1.995 1.758 -8.081 424 HG23 VAL 61 3HG2 VAL 61 1.106 2.469 -6.734 425 H GLY 62 H GLY 62 4.346 4.847 -4.996 426 HA2 GLY 62 1HA GLY 62 5.788 6.768 -6.485 427 HA3 GLY 62 2HA GLY 62 4.904 7.574 -5.198 428 H LYS 63 H LYS 63 6.772 8.201 -4.113 429 HA LYS 63 HA LYS 63 8.100 6.020 -2.661 430 HB2 LYS 63 1HB LYS 63 10.253 7.167 -2.851 431 HB3 LYS 63 2HB LYS 63 9.618 6.754 -4.438 432 HG2 LYS 63 1HG LYS 63 9.257 8.931 -5.018 433 HG3 LYS 63 2HG LYS 63 9.030 9.455 -3.347 434 HD2 LYS 63 1HD LYS 63 11.092 10.362 -3.826 435 HD3 LYS 63 2HD LYS 63 11.556 8.814 -3.116 436 HE2 LYS 63 1HE LYS 63 11.117 8.962 -6.057 437 HE3 LYS 63 2HE LYS 63 12.595 9.656 -5.392 438 HZ1 LYS 63 1HZ LYS 63 12.935 7.460 -4.262 439 HZ2 LYS 63 2HZ LYS 63 13.077 7.432 -5.947 440 HZ3 LYS 63 3HZ LYS 63 11.673 6.846 -5.207 441 H GLU 64 H GLU 64 5.963 7.451 -1.669 442 HA GLU 64 HA GLU 64 7.180 9.371 0.197 443 HB2 GLU 64 1HB GLU 64 4.234 8.973 -0.322 444 HB3 GLU 64 2HB GLU 64 5.002 10.308 0.526 445 HG2 GLU 64 1HG GLU 64 6.087 10.980 -1.586 446 HG3 GLU 64 2HG GLU 64 5.212 9.692 -2.412 447 H THR 65 H THR 65 6.038 9.394 2.399 448 HA THR 65 HA THR 65 5.763 6.609 3.324 449 HB THR 65 HB THR 65 6.647 7.274 5.464 450 HG1 THR 65 1HG THR 65 6.830 9.326 6.053 451 HG21 THR 65 1HG2 THR 65 8.536 6.760 4.328 452 HG22 THR 65 2HG2 THR 65 8.855 8.487 4.490 453 HG23 THR 65 3HG2 THR 65 8.159 7.854 2.998 454 H MET 66 H MET 66 3.772 8.805 2.418 455 HA MET 66 HA MET 66 1.692 8.061 4.199 456 HB2 MET 66 1HB MET 66 2.745 9.691 5.670 457 HB3 MET 66 2HB MET 66 2.706 10.903 4.396 458 HG2 MET 66 1HG MET 66 0.481 11.303 4.645 459 HG3 MET 66 2HG MET 66 0.138 9.671 5.213 460 HE1 MET 66 1HE MET 66 -1.413 11.857 6.802 461 HE2 MET 66 2HE MET 66 -0.451 12.905 7.844 462 HE3 MET 66 3HE MET 66 -0.273 13.000 6.092 463 H CYS 67 H CYS 67 -0.083 7.999 2.996 464 HA CYS 67 HA CYS 67 -0.526 10.065 0.970 465 HB2 CYS 67 1HB CYS 67 0.519 8.164 -0.196 466 HB3 CYS 67 2HB CYS 67 -0.736 7.096 0.423 467 HG CYS 67 HG CYS 67 -2.623 9.099 -0.928 468 H THR 68 H THR 68 -2.650 10.588 0.628 469 HA THR 68 HA THR 68 -4.644 9.101 2.211 470 HB THR 68 HB THR 68 -4.736 12.081 1.739 471 HG1 THR 68 1HG THR 68 -3.931 10.770 4.134 472 HG21 THR 68 1HG2 THR 68 -6.886 11.446 2.289 473 HG22 THR 68 2HG2 THR 68 -6.208 11.767 3.885 474 HG23 THR 68 3HG2 THR 68 -6.345 10.109 3.302 475 H VAL 69 H VAL 69 -6.655 8.797 1.309 476 HA VAL 69 HA VAL 69 -6.873 9.483 -1.546 477 HB VAL 69 HB VAL 69 -6.877 7.074 -1.068 478 HG11 VAL 69 1HG1 VAL 69 -8.280 7.711 1.178 479 HG12 VAL 69 2HG1 VAL 69 -9.547 7.055 0.139 480 HG13 VAL 69 3HG1 VAL 69 -8.123 6.085 0.515 481 HG21 VAL 69 1HG2 VAL 69 -8.776 8.516 -2.579 482 HG22 VAL 69 2HG2 VAL 69 -8.187 6.876 -2.851 483 HG23 VAL 69 3HG2 VAL 69 -9.619 7.145 -1.857 484 H ASP 70 H ASP 70 -8.733 10.403 -2.360 485 HA ASP 70 HA ASP 70 -10.670 11.363 -0.356 486 HB2 ASP 70 1HB ASP 70 -9.749 13.361 -0.987 487 HB3 ASP 70 2HB ASP 70 -9.272 12.762 -2.574 488 H GLY 71 H GLY 71 -12.848 11.360 -0.892 489 HA2 GLY 71 1HA GLY 71 -14.741 10.932 -2.181 490 HA3 GLY 71 2HA GLY 71 -13.697 10.499 -3.526 491 H LEU 72 H LEU 72 -14.544 9.307 -0.274 492 HA LEU 72 HA LEU 72 -14.421 6.571 -1.356 493 HB2 LEU 72 1HB LEU 72 -14.121 7.569 1.471 494 HB3 LEU 72 2HB LEU 72 -14.177 5.868 1.016 495 HG LEU 72 HG LEU 72 -12.069 7.782 0.030 496 HD11 LEU 72 1HD1 LEU 72 -10.638 6.472 1.709 497 HD12 LEU 72 2HD1 LEU 72 -12.168 6.068 2.486 498 HD13 LEU 72 3HD1 LEU 72 -11.679 7.755 2.326 499 HD21 LEU 72 1HD2 LEU 72 -12.742 5.456 -1.062 500 HD22 LEU 72 2HD2 LEU 72 -11.701 4.845 0.225 501 HD23 LEU 72 3HD2 LEU 72 -11.065 5.994 -0.953 502 H HIS 73 H HIS 73 -16.139 5.208 -1.137 503 HA HIS 73 HA HIS 73 -18.714 6.224 -1.015 504 HB2 HIS 73 1HB HIS 73 -17.831 3.916 -1.842 505 HB3 HIS 73 2HB HIS 73 -18.140 3.395 -0.189 506 HD1 HIS 73 1HD HIS 73 -20.473 2.698 0.334 507 HD2 HIS 73 2HD HIS 73 -20.245 4.917 -3.172 508 HE1 HIS 73 1HE HIS 73 -22.779 2.617 -0.665 509 HE2 HIS 73 2HE HIS 73 -22.596 3.894 -2.828 510 H PHE 74 H PHE 74 -20.427 5.726 0.567 511 HA PHE 74 HA PHE 74 -19.399 5.991 3.313 512 HB2 PHE 74 1HB PHE 74 -21.850 7.097 1.964 513 HB3 PHE 74 2HB PHE 74 -21.759 6.968 3.717 514 HD1 PHE 74 2HD PHE 74 -20.271 8.558 0.748 515 HD2 PHE 74 1HD PHE 74 -20.461 8.480 4.999 516 HE1 PHE 74 2HE PHE 74 -19.069 10.702 0.837 517 HE2 PHE 74 1HE PHE 74 -19.260 10.626 5.095 518 HZ PHE 74 HZ PHE 74 -18.561 11.739 3.013 519 H ASN 75 H ASN 75 -20.718 5.048 5.031 520 HA ASN 75 HA ASN 75 -21.499 3.123 5.994 521 HB2 ASN 75 1HB ASN 75 -23.540 4.443 4.999 522 HB3 ASN 75 2HB ASN 75 -23.639 3.072 3.899 523 HD21 ASN 75 1HD2 ASN 75 -24.456 4.272 6.926 524 HD22 ASN 75 2HD2 ASN 75 -25.050 2.809 7.628 525 H SER 76 H SER 76 -19.438 2.468 4.363 526 HA SER 76 HA SER 76 -20.177 -0.213 3.538 527 HB2 SER 76 1HB SER 76 -19.290 1.912 1.627 528 HB3 SER 76 2HB SER 76 -18.756 0.253 1.360 529 HG SER 76 HG SER 76 -21.470 0.948 1.766 530 H THR 77 H THR 77 -18.660 -1.599 4.167 531 HA THR 77 HA THR 77 -16.279 -0.698 5.434 532 HB THR 77 HB THR 77 -17.086 -3.500 4.631 533 HG1 THR 77 1HG THR 77 -18.206 -3.505 6.437 534 HG21 THR 77 1HG2 THR 77 -15.444 -4.227 6.309 535 HG22 THR 77 2HG2 THR 77 -14.956 -2.549 6.551 536 HG23 THR 77 3HG2 THR 77 -14.679 -3.333 4.996 537 H TYR 78 H TYR 78 -14.254 -0.503 4.681 538 HA TYR 78 HA TYR 78 -13.738 -1.375 1.913 539 HB2 TYR 78 1HB TYR 78 -13.097 1.146 3.355 540 HB3 TYR 78 2HB TYR 78 -11.897 0.545 2.216 541 HD1 TYR 78 2HD TYR 78 -12.551 0.211 -0.184 542 HD2 TYR 78 1HD TYR 78 -15.078 2.201 2.601 543 HE1 TYR 78 2HE TYR 78 -13.817 1.199 -2.047 544 HE2 TYR 78 1HE TYR 78 -16.351 3.194 0.746 545 HH TYR 78 HH TYR 78 -15.432 3.610 -2.101 546 H ASN 79 H ASN 79 -11.586 -2.059 1.409 547 HA ASN 79 HA ASN 79 -9.965 -2.846 3.732 548 HB2 ASN 79 1HB ASN 79 -10.395 -4.642 1.344 549 HB3 ASN 79 2HB ASN 79 -9.627 -5.046 2.876 550 HD21 ASN 79 1HD2 ASN 79 -12.634 -4.487 1.234 551 HD22 ASN 79 2HD2 ASN 79 -13.659 -5.152 2.456 552 H ALA 80 H ALA 80 -8.062 -1.879 3.553 553 HA ALA 80 HA ALA 80 -6.912 -1.511 0.864 554 HB1 ALA 80 1HB ALA 80 -5.797 0.078 3.074 555 HB2 ALA 80 2HB ALA 80 -6.204 0.550 1.424 556 HB3 ALA 80 3HB ALA 80 -7.469 0.442 2.647 557 H ARG 81 H ARG 81 -4.458 -1.406 0.896 558 HA ARG 81 HA ARG 81 -3.003 -2.723 2.936 559 HB2 ARG 81 1HB ARG 81 -2.662 -4.865 2.071 560 HB3 ARG 81 2HB ARG 81 -4.384 -4.600 1.831 561 HG2 ARG 81 1HG ARG 81 -3.808 -3.863 -0.519 562 HG3 ARG 81 2HG ARG 81 -2.191 -4.501 -0.215 563 HD2 ARG 81 1HD ARG 81 -4.765 -5.924 -0.582 564 HD3 ARG 81 2HD ARG 81 -3.145 -6.355 -1.129 565 HE ARG 81 HE ARG 81 -2.747 -7.392 0.914 566 HH11 ARG 81 2HH1 ARG 81 -5.848 -5.810 0.888 567 HH12 ARG 81 1HH1 ARG 81 -6.413 -6.608 2.319 568 HH21 ARG 81 2HH2 ARG 81 -3.479 -8.450 2.798 569 HH22 ARG 81 1HH2 ARG 81 -5.064 -8.109 3.404 570 H VAL 82 H VAL 82 -1.019 -1.928 2.779 571 HA VAL 82 HA VAL 82 -0.080 -0.991 0.155 572 HB VAL 82 HB VAL 82 -0.231 0.635 2.095 573 HG11 VAL 82 1HG1 VAL 82 2.365 -0.253 3.128 574 HG12 VAL 82 2HG1 VAL 82 0.954 0.373 3.984 575 HG13 VAL 82 3HG1 VAL 82 1.018 -1.325 3.510 576 HG21 VAL 82 1HG2 VAL 82 1.905 1.713 1.544 577 HG22 VAL 82 2HG2 VAL 82 2.455 0.221 0.782 578 HG23 VAL 82 3HG2 VAL 82 1.087 1.105 0.104 579 H LYS 83 H LYS 83 2.058 -1.413 -0.519 580 HA LYS 83 HA LYS 83 3.588 -3.394 0.982 581 HB2 LYS 83 1HB LYS 83 3.869 -4.811 -1.027 582 HB3 LYS 83 2HB LYS 83 2.205 -4.764 -0.459 583 HG2 LYS 83 1HG LYS 83 1.467 -3.606 -2.282 584 HG3 LYS 83 2HG LYS 83 3.029 -2.835 -2.564 585 HD2 LYS 83 1HD LYS 83 3.863 -5.183 -3.169 586 HD3 LYS 83 2HD LYS 83 2.156 -5.623 -3.262 587 HE2 LYS 83 1HE LYS 83 2.586 -5.039 -5.444 588 HE3 LYS 83 2HE LYS 83 2.000 -3.510 -4.793 589 HZ1 LYS 83 1HZ LYS 83 4.876 -4.053 -4.682 590 HZ2 LYS 83 2HZ LYS 83 4.063 -2.580 -4.863 591 HZ3 LYS 83 3HZ LYS 83 4.201 -3.636 -6.177 592 H ALA 84 H ALA 84 5.735 -3.826 -0.174 593 HA ALA 84 HA ALA 84 6.739 -1.261 -1.215 594 HB1 ALA 84 1HB ALA 84 8.942 -1.967 -0.381 595 HB2 ALA 84 2HB ALA 84 7.736 -1.885 0.904 596 HB3 ALA 84 3HB ALA 84 8.216 -3.448 0.244 597 H PHE 85 H PHE 85 8.433 -1.338 -2.829 598 HA PHE 85 HA PHE 85 8.961 -3.772 -4.247 599 HB2 PHE 85 1HB PHE 85 7.760 -3.430 -6.212 600 HB3 PHE 85 2HB PHE 85 6.609 -2.930 -4.977 601 HD1 PHE 85 2HD PHE 85 6.239 -0.509 -4.554 602 HD2 PHE 85 1HD PHE 85 8.572 -1.913 -7.825 603 HE1 PHE 85 2HE PHE 85 6.020 1.685 -5.647 604 HE2 PHE 85 1HE PHE 85 8.358 0.279 -8.923 605 HZ PHE 85 HZ PHE 85 7.079 2.080 -7.835 606 H ASN 86 H ASN 86 10.666 -3.582 -5.696 607 HA ASN 86 HA ASN 86 11.706 -1.030 -6.486 608 HB2 ASN 86 1HB ASN 86 13.820 -1.145 -5.290 609 HB3 ASN 86 2HB ASN 86 12.489 -1.146 -4.137 610 HD21 ASN 86 1HD2 ASN 86 13.767 -2.088 -2.550 611 HD22 ASN 86 2HD2 ASN 86 14.214 -3.756 -2.602 612 H LYS 87 H LYS 87 14.174 -1.530 -7.264 613 HA LYS 87 HA LYS 87 14.113 -2.845 -9.596 614 HB2 LYS 87 1HB LYS 87 16.092 -1.671 -8.230 615 HB3 LYS 87 2HB LYS 87 16.576 -3.347 -8.006 616 HG2 LYS 87 1HG LYS 87 17.702 -2.917 -9.919 617 HG3 LYS 87 2HG LYS 87 16.164 -3.412 -10.629 618 HD2 LYS 87 1HD LYS 87 15.567 -1.247 -11.171 619 HD3 LYS 87 2HD LYS 87 16.614 -0.540 -9.937 620 HE2 LYS 87 1HE LYS 87 18.534 -1.546 -11.370 621 HE3 LYS 87 2HE LYS 87 17.319 -1.598 -12.646 622 HZ1 LYS 87 1HZ LYS 87 18.866 0.554 -11.952 623 HZ2 LYS 87 2HZ LYS 87 17.342 0.923 -11.319 624 HZ3 LYS 87 3HZ LYS 87 17.512 0.576 -12.966 625 H THR 88 H THR 88 14.947 -4.398 -6.506 626 HA THR 88 HA THR 88 15.501 -6.945 -7.305 627 HB THR 88 HB THR 88 13.803 -6.218 -4.909 628 HG1 THR 88 1HG THR 88 16.113 -5.332 -5.333 629 HG21 THR 88 1HG2 THR 88 15.621 -8.465 -4.638 630 HG22 THR 88 2HG2 THR 88 14.426 -8.731 -5.907 631 HG23 THR 88 3HG2 THR 88 13.901 -8.357 -4.266 632 H GLY 89 H GLY 89 12.240 -6.087 -6.133 633 HA2 GLY 89 1HA GLY 89 10.872 -7.096 -8.390 634 HA3 GLY 89 2HA GLY 89 10.966 -8.348 -7.160 635 H VAL 90 H VAL 90 9.519 -8.340 -5.545 636 HA VAL 90 HA VAL 90 8.177 -5.926 -4.720 637 HB VAL 90 HB VAL 90 5.901 -7.247 -5.109 638 HG11 VAL 90 1HG1 VAL 90 7.221 -5.662 -7.308 639 HG12 VAL 90 2HG1 VAL 90 5.490 -5.841 -7.017 640 HG13 VAL 90 3HG1 VAL 90 6.492 -4.957 -5.865 641 HG21 VAL 90 1HG2 VAL 90 7.685 -8.170 -7.358 642 HG22 VAL 90 2HG2 VAL 90 6.865 -9.183 -6.169 643 HG23 VAL 90 3HG2 VAL 90 5.925 -8.288 -7.363 644 H SER 91 H SER 91 6.891 -6.213 -2.822 645 HA SER 91 HA SER 91 7.526 -8.703 -1.382 646 HB2 SER 91 1HB SER 91 7.457 -5.846 -0.549 647 HB3 SER 91 2HB SER 91 6.939 -7.045 0.635 648 HG SER 91 HG SER 91 9.063 -7.007 0.954 649 HA PRO 92 HA PRO 92 3.283 -9.634 -0.779 650 HB2 PRO 92 1HB PRO 92 3.227 -10.519 1.787 651 HB3 PRO 92 2HB PRO 92 3.951 -11.445 0.467 652 HG2 PRO 92 1HG PRO 92 5.278 -9.713 2.516 653 HG3 PRO 92 2HG PRO 92 5.770 -11.305 1.909 654 HD2 PRO 92 1HD PRO 92 6.900 -9.002 1.041 655 HD3 PRO 92 2HD PRO 92 6.710 -10.425 -0.003 656 H TYR 93 H TYR 93 1.393 -8.694 -0.157 657 HA TYR 93 HA TYR 93 1.354 -6.087 0.802 658 HB2 TYR 93 1HB TYR 93 -0.840 -8.166 0.784 659 HB3 TYR 93 2HB TYR 93 -1.102 -6.461 1.131 660 HD1 TYR 93 1HD TYR 93 0.112 -4.892 -0.762 661 HD2 TYR 93 2HD TYR 93 -1.414 -8.821 -1.342 662 HE1 TYR 93 1HE TYR 93 -0.131 -4.435 -3.166 663 HE2 TYR 93 2HE TYR 93 -1.660 -8.376 -3.749 664 HH TYR 93 HH TYR 93 -0.404 -6.643 -5.438 665 H SER 94 H SER 94 0.068 -5.374 2.778 666 HA SER 94 HA SER 94 1.220 -6.712 5.104 667 HB2 SER 94 1HB SER 94 0.234 -4.573 6.245 668 HB3 SER 94 2HB SER 94 1.682 -4.435 5.248 669 HG SER 94 HG SER 94 0.569 -3.408 3.737 670 H LYS 95 H LYS 95 -0.282 -6.414 7.151 671 HA LYS 95 HA LYS 95 -2.362 -8.245 6.930 672 HB2 LYS 95 1HB LYS 95 -1.283 -7.740 9.057 673 HB3 LYS 95 2HB LYS 95 -1.930 -6.105 9.023 674 HG2 LYS 95 1HG LYS 95 -3.392 -7.137 10.450 675 HG3 LYS 95 2HG LYS 95 -4.233 -7.328 8.910 676 HD2 LYS 95 1HD LYS 95 -3.524 -9.588 8.708 677 HD3 LYS 95 2HD LYS 95 -2.389 -9.419 10.050 678 HE2 LYS 95 1HE LYS 95 -5.322 -8.972 10.459 679 HE3 LYS 95 2HE LYS 95 -4.655 -10.604 10.452 680 HZ1 LYS 95 1HZ LYS 95 -3.782 -8.400 12.241 681 HZ2 LYS 95 2HZ LYS 95 -3.174 -9.978 12.246 682 HZ3 LYS 95 3HZ LYS 95 -4.780 -9.690 12.690 683 H THR 96 H THR 96 -4.257 -8.074 5.951 684 HA THR 96 HA THR 96 -5.383 -6.030 4.652 685 HB THR 96 HB THR 96 -7.106 -7.816 6.369 686 HG1 THR 96 1HG THR 96 -6.941 -9.085 4.229 687 HG21 THR 96 1HG2 THR 96 -8.815 -7.096 5.121 688 HG22 THR 96 2HG2 THR 96 -7.916 -7.351 3.625 689 HG23 THR 96 3HG2 THR 96 -7.734 -5.841 4.517 690 H LEU 97 H LEU 97 -6.066 -4.044 5.096 691 HA LEU 97 HA LEU 97 -6.671 -3.363 7.892 692 HB2 LEU 97 1HB LEU 97 -4.914 -2.005 7.219 693 HB3 LEU 97 2HB LEU 97 -5.562 -1.808 5.592 694 HG LEU 97 HG LEU 97 -7.449 -0.476 6.782 695 HD11 LEU 97 1HD1 LEU 97 -5.341 0.185 8.770 696 HD12 LEU 97 2HD1 LEU 97 -6.339 -1.243 9.045 697 HD13 LEU 97 3HD1 LEU 97 -7.095 0.342 8.882 698 HD21 LEU 97 1HD2 LEU 97 -6.405 1.432 6.119 699 HD22 LEU 97 2HD2 LEU 97 -5.343 0.258 5.342 700 HD23 LEU 97 3HD2 LEU 97 -4.873 0.992 6.875 701 H VAL 98 H VAL 98 -8.760 -3.234 8.347 702 HA VAL 98 HA VAL 98 -10.665 -2.576 6.222 703 HB VAL 98 HB VAL 98 -11.223 -3.582 9.016 704 HG11 VAL 98 1HG1 VAL 98 -13.429 -3.570 8.529 705 HG12 VAL 98 2HG1 VAL 98 -12.952 -2.292 7.408 706 HG13 VAL 98 3HG1 VAL 98 -13.165 -3.944 6.826 707 HG21 VAL 98 1HG2 VAL 98 -11.567 -5.758 8.023 708 HG22 VAL 98 2HG2 VAL 98 -11.207 -5.119 6.420 709 HG23 VAL 98 3HG2 VAL 98 -9.941 -5.191 7.645 710 H LEU 99 H LEU 99 -12.027 -0.837 6.304 711 HA LEU 99 HA LEU 99 -11.755 0.993 8.589 712 HB2 LEU 99 1HB LEU 99 -12.074 2.781 6.659 713 HB3 LEU 99 2HB LEU 99 -10.485 2.211 7.167 714 HG LEU 99 HG LEU 99 -11.871 0.840 4.905 715 HD11 LEU 99 1HD1 LEU 99 -11.604 3.553 4.832 716 HD12 LEU 99 2HD1 LEU 99 -11.614 2.494 3.421 717 HD13 LEU 99 3HD1 LEU 99 -10.082 3.017 4.121 718 HD21 LEU 99 1HD2 LEU 99 -9.905 -0.243 5.458 719 HD22 LEU 99 2HD2 LEU 99 -9.069 1.256 5.865 720 HD23 LEU 99 3HD2 LEU 99 -9.380 0.849 4.177 721 H GLN 100 H GLN 100 -13.696 1.091 9.501 722 HA GLN 100 HA GLN 100 -16.104 0.682 7.951 723 HB2 GLN 100 1HB GLN 100 -15.634 1.191 10.889 724 HB3 GLN 100 2HB GLN 100 -17.231 0.974 10.185 725 HG2 GLN 100 1HG GLN 100 -16.800 -1.141 10.918 726 HG3 GLN 100 2HG GLN 100 -16.193 -1.242 9.266 727 HE21 GLN 100 1HE2 GLN 100 -14.009 -1.430 8.904 728 HE22 GLN 100 2HE2 GLN 100 -12.874 -1.761 10.163 729 H THR 101 H THR 101 -17.327 2.229 7.104 730 HA THR 101 HA THR 101 -16.754 5.015 7.830 731 HB THR 101 HB THR 101 -18.022 5.556 5.716 732 HG1 THR 101 1HG THR 101 -17.616 2.892 4.917 733 HG21 THR 101 1HG2 THR 101 -15.497 3.922 5.654 734 HG22 THR 101 2HG2 THR 101 -15.672 5.675 5.575 735 HG23 THR 101 3HG2 THR 101 -16.162 4.677 4.206 736 H SER 102 H SER 102 -18.499 6.518 8.086 737 HA SER 102 HA SER 102 -20.844 5.270 9.317 738 HB2 SER 102 1HB SER 102 -19.878 8.136 9.454 739 HB3 SER 102 2HB SER 102 -21.223 7.455 10.368 740 HG SER 102 HG SER 102 -18.762 6.170 10.569 741 H GLU 103 H GLU 103 -22.962 5.932 8.825 742 HA GLU 103 HA GLU 103 -23.746 6.072 6.253 743 HB2 GLU 103 1HB GLU 103 -25.842 7.122 7.007 744 HB3 GLU 103 2HB GLU 103 -25.332 5.826 8.079 745 HG2 GLU 103 1HG GLU 103 -24.374 7.536 9.600 746 HG3 GLU 103 2HG GLU 103 -25.057 8.782 8.558 747 H GLY 104 H GLY 104 -23.999 7.559 4.648 748 HA2 GLY 104 1HA GLY 104 -22.347 9.839 4.639 749 HA3 GLY 104 2HA GLY 104 -23.579 9.466 3.442 750 H SER 105 H SER 105 -25.902 9.809 4.359 751 HA SER 105 HA SER 105 -26.050 12.580 5.102 752 HB2 SER 105 1HB SER 105 -27.640 11.718 3.487 753 HB3 SER 105 2HB SER 105 -28.208 10.508 4.638 754 HG SER 105 HG SER 105 -28.407 12.876 5.802 755 H GLY 106 H GLY 106 -25.612 13.089 7.161 756 HA2 GLY 106 1HA GLY 106 -26.552 11.342 9.312 757 HA3 GLY 106 2HA GLY 106 -25.416 12.671 9.479 758 HA PRO 107 HA PRO 107 -30.071 13.899 10.109 759 HB2 PRO 107 1HB PRO 107 -30.719 12.836 12.521 760 HB3 PRO 107 2HB PRO 107 -31.041 12.012 10.991 761 HG2 PRO 107 1HG PRO 107 -28.794 11.602 12.926 762 HG3 PRO 107 2HG PRO 107 -29.760 10.393 12.060 763 HD2 PRO 107 1HD PRO 107 -27.280 11.125 11.256 764 HD3 PRO 107 2HD PRO 107 -28.549 10.635 10.114 765 H SER 108 H SER 108 -30.083 15.927 10.827 766 HA SER 108 HA SER 108 -28.086 17.096 12.358 767 HB2 SER 108 1HB SER 108 -29.707 18.993 12.656 768 HB3 SER 108 2HB SER 108 -29.515 18.466 10.984 769 HG SER 108 HG SER 108 -31.467 17.403 11.112 770 H SER 109 H SER 109 -27.567 16.324 14.320 771 HA SER 109 HA SER 109 -29.601 15.536 16.217 772 HB2 SER 109 1HB SER 109 -26.592 15.697 16.518 773 HB3 SER 109 2HB SER 109 -27.699 14.960 17.676 774 HG SER 109 HG SER 109 -26.785 14.015 15.243 775 H GLY 110 H GLY 110 -29.367 16.340 18.533 776 HA2 GLY 110 1HA GLY 110 -28.681 18.200 19.957 777 HA3 GLY 110 2HA GLY 110 -28.805 19.239 18.545 Start of MODEL 16 1 H1 GLY 1 H GLY 1 26.708 -12.833 0.911 2 HA2 GLY 1 1HA GLY 1 27.664 -10.751 1.375 3 HA3 GLY 1 2HA GLY 1 29.069 -11.209 0.424 4 H SER 2 H SER 2 28.212 -8.718 0.081 5 HA SER 2 HA SER 2 26.419 -8.665 -2.227 6 HB2 SER 2 1HB SER 2 26.132 -7.041 -0.324 7 HB3 SER 2 2HB SER 2 27.671 -6.316 -0.789 8 HG SER 2 HG SER 2 26.511 -5.185 -2.119 9 H SER 3 H SER 3 28.868 -9.898 -2.697 10 HA SER 3 HA SER 3 30.634 -7.982 -3.960 11 HB2 SER 3 1HB SER 3 31.229 -10.256 -2.752 12 HB3 SER 3 2HB SER 3 30.922 -10.934 -4.351 13 HG SER 3 HG SER 3 32.434 -8.773 -4.649 14 H GLY 4 H GLY 4 28.138 -10.245 -4.876 15 HA2 GLY 4 1HA GLY 4 27.774 -9.030 -7.411 16 HA3 GLY 4 2HA GLY 4 28.651 -10.542 -7.593 17 H SER 5 H SER 5 25.848 -9.388 -5.708 18 HA SER 5 HA SER 5 24.265 -11.569 -6.860 19 HB2 SER 5 1HB SER 5 25.254 -12.126 -4.532 20 HB3 SER 5 2HB SER 5 24.080 -10.963 -3.918 21 HG SER 5 HG SER 5 22.525 -12.340 -4.283 22 H SER 6 H SER 6 21.888 -11.305 -6.169 23 HA SER 6 HA SER 6 21.211 -8.444 -6.355 24 HB2 SER 6 1HB SER 6 19.677 -10.855 -7.356 25 HB3 SER 6 2HB SER 6 19.113 -9.187 -7.457 26 HG SER 6 HG SER 6 20.914 -8.730 -8.773 27 H GLY 7 H GLY 7 19.921 -7.547 -4.855 28 HA2 GLY 7 1HA GLY 7 19.282 -9.068 -2.502 29 HA3 GLY 7 2HA GLY 7 18.948 -7.363 -2.765 30 HA PRO 8 HA PRO 8 15.170 -10.280 -3.479 31 HB2 PRO 8 1HB PRO 8 14.197 -10.555 -0.960 32 HB3 PRO 8 2HB PRO 8 15.324 -11.707 -1.686 33 HG2 PRO 8 1HG PRO 8 15.872 -9.464 0.220 34 HG3 PRO 8 2HG PRO 8 16.519 -11.115 0.219 35 HD2 PRO 8 1HD PRO 8 17.922 -9.001 -0.725 36 HD3 PRO 8 2HD PRO 8 18.088 -10.635 -1.400 37 H VAL 9 H VAL 9 12.855 -9.759 -2.331 38 HA VAL 9 HA VAL 9 12.297 -7.074 -3.038 39 HB VAL 9 HB VAL 9 10.021 -7.544 -2.083 40 HG11 VAL 9 1HG1 VAL 9 9.497 -9.343 -3.764 41 HG12 VAL 9 2HG1 VAL 9 10.360 -7.941 -4.400 42 HG13 VAL 9 3HG1 VAL 9 11.228 -9.443 -4.082 43 HG21 VAL 9 1HG2 VAL 9 10.732 -9.114 -0.337 44 HG22 VAL 9 2HG2 VAL 9 9.499 -9.818 -1.384 45 HG23 VAL 9 3HG2 VAL 9 11.190 -10.280 -1.578 46 HA PRO 10 HA PRO 10 12.919 -4.863 0.705 47 HB2 PRO 10 1HB PRO 10 10.967 -2.985 0.526 48 HB3 PRO 10 2HB PRO 10 12.419 -2.960 -0.481 49 HG2 PRO 10 1HG PRO 10 9.670 -3.939 -1.147 50 HG3 PRO 10 2HG PRO 10 10.782 -2.971 -2.132 51 HD2 PRO 10 1HD PRO 10 10.466 -5.637 -2.486 52 HD3 PRO 10 2HD PRO 10 12.010 -4.811 -2.779 53 H ALA 11 H ALA 11 12.427 -5.395 2.731 54 HA ALA 11 HA ALA 11 10.508 -7.037 3.647 55 HB1 ALA 11 1HB ALA 11 11.684 -6.599 5.481 56 HB2 ALA 11 2HB ALA 11 12.209 -5.039 4.846 57 HB3 ALA 11 3HB ALA 11 10.674 -5.169 5.704 58 H THR 12 H THR 12 8.364 -7.066 3.751 59 HA THR 12 HA THR 12 6.697 -5.125 2.721 60 HB THR 12 HB THR 12 6.038 -7.207 4.812 61 HG1 THR 12 1HG THR 12 5.514 -7.266 2.019 62 HG21 THR 12 1HG2 THR 12 4.463 -5.084 4.210 63 HG22 THR 12 2HG2 THR 12 3.848 -6.665 4.693 64 HG23 THR 12 3HG2 THR 12 3.941 -6.239 2.985 65 HA PRO 13 HA PRO 13 6.661 -1.964 5.814 66 HB2 PRO 13 1HB PRO 13 4.504 -0.596 4.895 67 HB3 PRO 13 2HB PRO 13 6.087 -0.532 4.112 68 HG2 PRO 13 1HG PRO 13 3.678 -2.153 3.383 69 HG3 PRO 13 2HG PRO 13 4.781 -1.252 2.327 70 HD2 PRO 13 1HD PRO 13 4.946 -3.934 2.656 71 HD3 PRO 13 2HD PRO 13 6.371 -2.920 2.354 72 H ILE 14 H ILE 14 5.338 -1.181 7.546 73 HA ILE 14 HA ILE 14 3.193 -3.058 8.285 74 HB ILE 14 HB ILE 14 4.479 -1.317 10.329 75 HG12 ILE 14 1HG1 ILE 14 6.060 -3.471 10.559 76 HG13 ILE 14 2HG1 ILE 14 5.830 -3.489 8.813 77 HG21 ILE 14 1HG2 ILE 14 4.149 -4.055 11.061 78 HG22 ILE 14 2HG2 ILE 14 3.317 -2.632 11.685 79 HG23 ILE 14 3HG2 ILE 14 2.675 -3.483 10.280 80 HD11 ILE 14 1HD1 ILE 14 6.576 -0.912 10.059 81 HD12 ILE 14 2HD1 ILE 14 7.808 -2.172 9.974 82 HD13 ILE 14 3HD1 ILE 14 7.031 -1.596 8.499 83 H LEU 15 H LEU 15 1.377 -2.069 7.537 84 HA LEU 15 HA LEU 15 0.795 0.610 7.374 85 HB2 LEU 15 1HB LEU 15 -1.624 -0.127 7.681 86 HB3 LEU 15 2HB LEU 15 -0.712 -0.844 6.354 87 HG LEU 15 HG LEU 15 -0.302 -2.709 8.249 88 HD11 LEU 15 1HD1 LEU 15 -1.616 -1.680 9.957 89 HD12 LEU 15 2HD1 LEU 15 -2.499 -3.087 9.366 90 HD13 LEU 15 3HD1 LEU 15 -2.978 -1.468 8.857 91 HD21 LEU 15 1HD2 LEU 15 -2.900 -2.998 6.912 92 HD22 LEU 15 2HD2 LEU 15 -1.467 -4.023 6.848 93 HD23 LEU 15 3HD2 LEU 15 -1.558 -2.571 5.850 94 H GLN 16 H GLN 16 0.192 2.195 8.738 95 HA GLN 16 HA GLN 16 -0.454 1.490 11.514 96 HB2 GLN 16 1HB GLN 16 1.571 3.545 10.620 97 HB3 GLN 16 2HB GLN 16 0.942 3.440 12.258 98 HG2 GLN 16 1HG GLN 16 1.754 0.937 12.022 99 HG3 GLN 16 2HG GLN 16 2.833 1.660 10.830 100 HE21 GLN 16 1HE2 GLN 16 4.189 0.621 12.714 101 HE22 GLN 16 2HE2 GLN 16 4.730 1.754 13.900 102 H LEU 17 H LEU 17 -2.616 1.920 10.541 103 HA LEU 17 HA LEU 17 -3.535 4.267 9.494 104 HB2 LEU 17 1HB LEU 17 -4.737 2.037 10.227 105 HB3 LEU 17 2HB LEU 17 -5.156 2.997 11.644 106 HG LEU 17 HG LEU 17 -6.985 3.082 10.112 107 HD11 LEU 17 1HD1 LEU 17 -7.325 5.363 10.042 108 HD12 LEU 17 2HD1 LEU 17 -5.644 5.709 9.636 109 HD13 LEU 17 3HD1 LEU 17 -6.072 5.216 11.274 110 HD21 LEU 17 1HD2 LEU 17 -5.629 4.455 7.924 111 HD22 LEU 17 2HD2 LEU 17 -6.808 3.145 7.884 112 HD23 LEU 17 3HD2 LEU 17 -5.100 2.787 8.143 113 H GLU 18 H GLU 18 -2.427 6.054 10.316 114 HA GLU 18 HA GLU 18 -2.386 6.700 13.091 115 HB2 GLU 18 1HB GLU 18 -1.667 8.132 10.565 116 HB3 GLU 18 2HB GLU 18 -1.812 9.051 12.057 117 HG2 GLU 18 1HG GLU 18 -0.106 6.598 11.917 118 HG3 GLU 18 2HG GLU 18 0.495 8.162 11.371 119 H GLU 19 H GLU 19 -4.333 7.799 10.338 120 HA GLU 19 HA GLU 19 -5.775 9.848 11.293 121 HB2 GLU 19 1HB GLU 19 -6.122 8.662 9.101 122 HB3 GLU 19 2HB GLU 19 -7.093 7.478 9.964 123 HG2 GLU 19 1HG GLU 19 -8.366 9.654 10.767 124 HG3 GLU 19 2HG GLU 19 -7.706 10.290 9.261 125 H CYS 20 H CYS 20 -6.541 10.177 13.273 126 HA CYS 20 HA CYS 20 -8.207 8.075 14.485 127 HB2 CYS 20 1HB CYS 20 -7.353 8.810 16.712 128 HB3 CYS 20 2HB CYS 20 -6.121 8.074 15.694 129 HG CYS 20 HG CYS 20 -5.481 10.911 14.846 130 H CYS 21 H CYS 21 -7.402 11.535 14.503 131 HA CYS 21 HA CYS 21 -10.241 12.095 15.049 132 HB2 CYS 21 1HB CYS 21 -7.854 13.620 16.113 133 HB3 CYS 21 2HB CYS 21 -9.538 14.078 16.342 134 HG CYS 21 HG CYS 21 -8.328 12.917 18.684 135 H THR 22 H THR 22 -9.730 11.942 12.516 136 HA THR 22 HA THR 22 -9.638 14.727 11.619 137 HB THR 22 HB THR 22 -8.142 12.558 10.145 138 HG1 THR 22 1HG THR 22 -6.307 13.989 10.970 139 HG21 THR 22 1HG2 THR 22 -8.502 14.142 8.543 140 HG22 THR 22 2HG2 THR 22 -7.070 14.846 9.292 141 HG23 THR 22 3HG2 THR 22 -8.673 15.447 9.716 142 H HIS 23 H HIS 23 -10.551 15.028 9.457 143 HA HIS 23 HA HIS 23 -13.039 14.156 9.056 144 HB2 HIS 23 1HB HIS 23 -11.653 15.762 7.608 145 HB3 HIS 23 2HB HIS 23 -11.192 14.337 6.683 146 HD1 HIS 23 1HD HIS 23 -12.433 15.475 4.643 147 HD2 HIS 23 2HD HIS 23 -14.871 14.374 7.822 148 HE1 HIS 23 1HE HIS 23 -14.780 15.526 3.740 149 HE2 HIS 23 2HE HIS 23 -16.244 14.940 5.704 150 H ASN 24 H ASN 24 -13.928 12.208 9.056 151 HA ASN 24 HA ASN 24 -12.535 9.804 8.690 152 HB2 ASN 24 1HB ASN 24 -15.466 10.496 8.680 153 HB3 ASN 24 2HB ASN 24 -14.913 8.847 8.403 154 HD21 ASN 24 1HD2 ASN 24 -13.494 7.922 10.073 155 HD22 ASN 24 2HD2 ASN 24 -13.792 8.345 11.721 156 H ASN 25 H ASN 25 -14.600 11.647 6.474 157 HA ASN 25 HA ASN 25 -14.761 9.931 4.342 158 HB2 ASN 25 1HB ASN 25 -14.569 12.924 4.501 159 HB3 ASN 25 2HB ASN 25 -14.648 12.122 2.935 160 HD21 ASN 25 1HD2 ASN 25 -16.481 10.678 2.575 161 HD22 ASN 25 2HD2 ASN 25 -18.000 11.072 3.297 162 H SER 26 H SER 26 -11.961 11.447 5.600 163 HA SER 26 HA SER 26 -10.424 10.687 3.204 164 HB2 SER 26 1HB SER 26 -8.835 12.379 3.723 165 HB3 SER 26 2HB SER 26 -10.416 13.132 3.931 166 HG SER 26 HG SER 26 -8.466 12.904 5.711 167 H ALA 27 H ALA 27 -9.193 8.948 3.398 168 HA ALA 27 HA ALA 27 -8.503 7.986 6.082 169 HB1 ALA 27 1HB ALA 27 -9.722 6.453 4.576 170 HB2 ALA 27 2HB ALA 27 -8.357 6.506 3.460 171 HB3 ALA 27 3HB ALA 27 -8.150 5.825 5.073 172 H THR 28 H THR 28 -6.664 9.056 6.647 173 HA THR 28 HA THR 28 -4.494 9.445 4.798 174 HB THR 28 HB THR 28 -4.495 9.841 7.796 175 HG1 THR 28 1HG THR 28 -6.012 11.234 7.045 176 HG21 THR 28 1HG2 THR 28 -2.275 9.998 7.288 177 HG22 THR 28 2HG2 THR 28 -2.761 11.646 6.886 178 HG23 THR 28 3HG2 THR 28 -2.579 10.444 5.609 179 H LEU 29 H LEU 29 -3.027 7.966 4.298 180 HA LEU 29 HA LEU 29 -2.515 5.785 6.208 181 HB2 LEU 29 1HB LEU 29 -2.631 5.921 3.245 182 HB3 LEU 29 2HB LEU 29 -1.475 4.803 3.967 183 HG LEU 29 HG LEU 29 -3.802 3.927 3.293 184 HD11 LEU 29 1HD1 LEU 29 -2.133 3.376 5.628 185 HD12 LEU 29 2HD1 LEU 29 -2.781 2.280 4.409 186 HD13 LEU 29 3HD1 LEU 29 -3.788 2.780 5.768 187 HD21 LEU 29 1HD2 LEU 29 -5.225 5.569 4.231 188 HD22 LEU 29 2HD2 LEU 29 -4.440 5.454 5.807 189 HD23 LEU 29 3HD2 LEU 29 -5.428 4.118 5.214 190 H SER 30 H SER 30 -0.571 5.655 7.114 191 HA SER 30 HA SER 30 1.704 6.964 5.788 192 HB2 SER 30 1HB SER 30 2.487 7.845 7.916 193 HB3 SER 30 2HB SER 30 0.842 8.410 7.620 194 HG SER 30 HG SER 30 1.210 6.042 9.066 195 H TRP 31 H TRP 31 1.837 4.589 5.161 196 HA TRP 31 HA TRP 31 2.514 2.608 7.035 197 HB2 TRP 31 1HB TRP 31 3.479 1.398 5.083 198 HB3 TRP 31 2HB TRP 31 1.851 2.004 4.790 199 HD1 TRP 31 HD TRP 31 5.424 2.334 3.579 200 HE1 TRP 31 1HE TRP 31 5.473 3.824 1.481 201 HE3 TRP 31 3HE TRP 31 0.606 4.041 3.685 202 HZ2 TRP 31 2HZ TRP 31 3.703 5.502 0.060 203 HZ3 TRP 31 3HZ TRP 31 -0.136 5.586 1.919 204 HH2 TRP 31 HH TRP 31 1.382 6.301 0.146 205 H LYS 32 H LYS 32 4.823 1.455 6.578 206 HA LYS 32 HA LYS 32 7.084 3.103 6.278 207 HB2 LYS 32 1HB LYS 32 7.829 3.422 8.513 208 HB3 LYS 32 2HB LYS 32 6.165 3.986 8.459 209 HG2 LYS 32 1HG LYS 32 6.081 2.782 10.378 210 HG3 LYS 32 2HG LYS 32 5.680 1.502 9.230 211 HD2 LYS 32 1HD LYS 32 7.771 0.526 9.388 212 HD3 LYS 32 2HD LYS 32 8.538 2.017 9.941 213 HE2 LYS 32 1HE LYS 32 6.456 0.754 11.655 214 HE3 LYS 32 2HE LYS 32 8.059 0.022 11.596 215 HZ1 LYS 32 1HZ LYS 32 7.411 2.812 12.377 216 HZ2 LYS 32 2HZ LYS 32 8.983 2.215 12.193 217 HZ3 LYS 32 3HZ LYS 32 7.972 1.580 13.392 218 H GLN 33 H GLN 33 9.110 1.974 7.069 219 HA GLN 33 HA GLN 33 8.793 -0.891 6.577 220 HB2 GLN 33 1HB GLN 33 11.241 0.881 6.545 221 HB3 GLN 33 2HB GLN 33 11.262 -0.848 6.229 222 HG2 GLN 33 1HG GLN 33 9.520 0.971 4.620 223 HG3 GLN 33 2HG GLN 33 11.234 0.796 4.247 224 HE21 GLN 33 1HE2 GLN 33 12.010 -1.414 3.876 225 HE22 GLN 33 2HE2 GLN 33 10.954 -2.539 3.099 226 HA PRO 34 HA PRO 34 9.661 -2.091 10.710 227 HB2 PRO 34 1HB PRO 34 10.935 -4.452 10.292 228 HB3 PRO 34 2HB PRO 34 9.197 -4.241 10.047 229 HG2 PRO 34 1HG PRO 34 11.408 -4.236 8.029 230 HG3 PRO 34 2HG PRO 34 9.813 -5.006 7.939 231 HD2 PRO 34 1HD PRO 34 10.368 -2.657 6.713 232 HD3 PRO 34 2HD PRO 34 8.759 -3.041 7.356 233 HA PRO 35 HA PRO 35 13.740 -0.866 11.826 234 HB2 PRO 35 1HB PRO 35 14.034 -2.182 14.182 235 HB3 PRO 35 2HB PRO 35 12.982 -0.774 13.993 236 HG2 PRO 35 1HG PRO 35 12.270 -3.681 14.007 237 HG3 PRO 35 2HG PRO 35 11.444 -2.323 14.793 238 HD2 PRO 35 1HD PRO 35 10.582 -3.400 12.463 239 HD3 PRO 35 2HD PRO 35 10.384 -1.679 12.851 240 H LEU 36 H LEU 36 13.134 -4.343 12.350 241 HA LEU 36 HA LEU 36 15.877 -5.070 12.127 242 HB2 LEU 36 1HB LEU 36 14.711 -7.395 11.690 243 HB3 LEU 36 2HB LEU 36 14.760 -6.665 13.294 244 HG LEU 36 HG LEU 36 12.478 -5.954 13.109 245 HD11 LEU 36 1HD1 LEU 36 12.620 -5.430 10.659 246 HD12 LEU 36 2HD1 LEU 36 11.134 -6.228 11.172 247 HD13 LEU 36 3HD1 LEU 36 12.391 -7.151 10.349 248 HD21 LEU 36 1HD2 LEU 36 12.075 -8.007 13.873 249 HD22 LEU 36 2HD2 LEU 36 13.270 -8.728 12.795 250 HD23 LEU 36 3HD2 LEU 36 11.628 -8.430 12.220 251 H SER 37 H SER 37 13.928 -3.845 9.848 252 HA SER 37 HA SER 37 13.937 -5.426 7.626 253 HB2 SER 37 1HB SER 37 13.898 -3.417 6.292 254 HB3 SER 37 2HB SER 37 13.017 -3.095 7.785 255 HG SER 37 HG SER 37 15.642 -2.284 7.100 256 H THR 38 H THR 38 15.342 -5.668 5.817 257 HA THR 38 HA THR 38 18.185 -5.163 6.393 258 HB THR 38 HB THR 38 17.060 -7.688 5.164 259 HG1 THR 38 1HG THR 38 16.779 -7.953 7.300 260 HG21 THR 38 1HG2 THR 38 19.610 -6.506 4.908 261 HG22 THR 38 2HG2 THR 38 19.109 -8.120 4.405 262 HG23 THR 38 3HG2 THR 38 19.790 -7.869 6.012 263 H VAL 39 H VAL 39 15.731 -5.807 3.927 264 HA VAL 39 HA VAL 39 17.522 -4.766 1.855 265 HB VAL 39 HB VAL 39 14.791 -6.019 1.540 266 HG11 VAL 39 1HG1 VAL 39 15.910 -6.348 -0.839 267 HG12 VAL 39 2HG1 VAL 39 15.027 -4.879 -0.421 268 HG13 VAL 39 3HG1 VAL 39 16.789 -4.900 -0.349 269 HG21 VAL 39 1HG2 VAL 39 16.792 -7.672 0.465 270 HG22 VAL 39 2HG2 VAL 39 17.348 -7.204 2.072 271 HG23 VAL 39 3HG2 VAL 39 15.778 -7.982 1.874 272 HA PRO 40 HA PRO 40 15.484 -0.824 2.219 273 HB2 PRO 40 1HB PRO 40 16.803 0.365 0.167 274 HB3 PRO 40 2HB PRO 40 17.535 0.101 1.754 275 HG2 PRO 40 1HG PRO 40 17.833 -1.498 -0.759 276 HG3 PRO 40 2HG PRO 40 19.074 -1.008 0.408 277 HD2 PRO 40 1HD PRO 40 17.997 -3.492 0.385 278 HD3 PRO 40 2HD PRO 40 18.539 -2.701 1.878 279 H ALA 41 H ALA 41 13.883 0.305 1.131 280 HA ALA 41 HA ALA 41 12.874 -0.988 -1.316 281 HB1 ALA 41 1HB ALA 41 11.462 -1.068 0.788 282 HB2 ALA 41 2HB ALA 41 11.230 0.668 0.578 283 HB3 ALA 41 3HB ALA 41 10.674 -0.453 -0.665 284 H ASP 42 H ASP 42 12.097 0.296 -3.012 285 HA ASP 42 HA ASP 42 13.274 2.972 -3.096 286 HB2 ASP 42 1HB ASP 42 13.840 1.439 -4.924 287 HB3 ASP 42 2HB ASP 42 12.131 1.257 -5.313 288 H GLY 43 H GLY 43 10.182 1.312 -3.500 289 HA2 GLY 43 1HA GLY 43 8.815 3.837 -2.966 290 HA3 GLY 43 2HA GLY 43 8.441 3.041 -4.488 291 H TYR 44 H TYR 44 6.243 3.116 -3.492 292 HA TYR 44 HA TYR 44 5.671 0.543 -2.312 293 HB2 TYR 44 1HB TYR 44 4.712 2.999 -0.845 294 HB3 TYR 44 2HB TYR 44 4.582 1.318 -0.339 295 HD1 TYR 44 2HD TYR 44 7.119 3.942 -1.098 296 HD2 TYR 44 1HD TYR 44 6.172 0.427 1.103 297 HE1 TYR 44 2HE TYR 44 9.229 4.161 0.147 298 HE2 TYR 44 1HE TYR 44 8.279 0.636 2.355 299 HH TYR 44 HH TYR 44 10.195 1.748 2.563 300 H ILE 45 H ILE 45 3.736 -0.213 -2.961 301 HA ILE 45 HA ILE 45 2.012 1.641 -4.461 302 HB ILE 45 HB ILE 45 2.257 -1.360 -4.702 303 HG12 ILE 45 1HG1 ILE 45 2.878 0.616 -6.869 304 HG13 ILE 45 2HG1 ILE 45 4.078 0.285 -5.625 305 HG21 ILE 45 1HG2 ILE 45 0.051 0.208 -5.269 306 HG22 ILE 45 2HG2 ILE 45 0.850 0.021 -6.829 307 HG23 ILE 45 3HG2 ILE 45 0.380 -1.404 -5.903 308 HD11 ILE 45 1HD1 ILE 45 3.154 -2.209 -6.523 309 HD12 ILE 45 2HD1 ILE 45 3.435 -1.221 -7.958 310 HD13 ILE 45 3HD1 ILE 45 4.733 -1.470 -6.790 311 H LEU 46 H LEU 46 -0.068 1.924 -3.892 312 HA LEU 46 HA LEU 46 -1.009 0.509 -1.505 313 HB2 LEU 46 1HB LEU 46 -1.604 3.149 -2.747 314 HB3 LEU 46 2HB LEU 46 -2.844 2.381 -1.757 315 HG LEU 46 HG LEU 46 -0.058 3.037 -0.804 316 HD11 LEU 46 1HD1 LEU 46 -2.635 4.557 -0.675 317 HD12 LEU 46 2HD1 LEU 46 -1.024 5.127 -1.111 318 HD13 LEU 46 3HD1 LEU 46 -1.401 4.750 0.570 319 HD21 LEU 46 1HD2 LEU 46 -0.722 1.401 0.639 320 HD22 LEU 46 2HD2 LEU 46 -2.439 1.729 0.401 321 HD23 LEU 46 3HD2 LEU 46 -1.469 2.795 1.420 322 H GLU 47 H GLU 47 -3.082 -0.414 -1.406 323 HA GLU 47 HA GLU 47 -4.506 -0.733 -3.949 324 HB2 GLU 47 1HB GLU 47 -3.263 -2.875 -2.300 325 HB3 GLU 47 2HB GLU 47 -4.833 -3.212 -3.016 326 HG2 GLU 47 1HG GLU 47 -3.627 -2.273 -5.180 327 HG3 GLU 47 2HG GLU 47 -2.197 -2.827 -4.309 328 H LEU 48 H LEU 48 -6.712 -0.991 -3.775 329 HA LEU 48 HA LEU 48 -7.974 -1.424 -1.223 330 HB2 LEU 48 1HB LEU 48 -7.539 0.890 -0.931 331 HB3 LEU 48 2HB LEU 48 -8.058 1.262 -2.573 332 HG LEU 48 HG LEU 48 -10.379 0.654 -1.915 333 HD11 LEU 48 1HD1 LEU 48 -10.705 -0.488 -0.044 334 HD12 LEU 48 2HD1 LEU 48 -10.232 0.944 0.868 335 HD13 LEU 48 3HD1 LEU 48 -9.023 -0.266 0.439 336 HD21 LEU 48 1HD2 LEU 48 -9.966 2.948 -1.952 337 HD22 LEU 48 2HD2 LEU 48 -8.901 2.877 -0.549 338 HD23 LEU 48 3HD2 LEU 48 -10.642 2.672 -0.346 339 H ASP 49 H ASP 49 -10.032 -2.174 -1.432 340 HA ASP 49 HA ASP 49 -10.918 -2.793 -4.117 341 HB2 ASP 49 1HB ASP 49 -10.985 -4.369 -2.078 342 HB3 ASP 49 2HB ASP 49 -12.412 -3.459 -1.591 343 H ASP 50 H ASP 50 -13.232 -2.504 -4.706 344 HA ASP 50 HA ASP 50 -14.009 0.242 -4.186 345 HB2 ASP 50 1HB ASP 50 -14.905 -1.864 -6.136 346 HB3 ASP 50 2HB ASP 50 -15.847 -0.395 -5.899 347 H GLY 51 H GLY 51 -14.256 -1.466 -1.951 348 HA2 GLY 51 1HA GLY 51 -15.750 -2.078 -0.317 349 HA3 GLY 51 2HA GLY 51 -16.757 -0.796 -0.972 350 H ASN 52 H ASN 52 -15.814 -3.609 -2.828 351 HA ASN 52 HA ASN 52 -18.636 -4.440 -2.859 352 HB2 ASN 52 1HB ASN 52 -17.525 -3.739 -5.028 353 HB3 ASN 52 2HB ASN 52 -16.519 -5.177 -4.883 354 HD21 ASN 52 1HD2 ASN 52 -17.390 -7.173 -5.274 355 HD22 ASN 52 2HD2 ASN 52 -18.966 -7.400 -5.946 356 H GLY 53 H GLY 53 -15.334 -5.556 -2.420 357 HA2 GLY 53 1HA GLY 53 -14.829 -7.314 -0.880 358 HA3 GLY 53 2HA GLY 53 -16.408 -8.011 -1.210 359 H GLY 54 H GLY 54 -14.033 -6.898 -3.582 360 HA2 GLY 54 1HA GLY 54 -13.791 -9.701 -4.489 361 HA3 GLY 54 2HA GLY 54 -13.885 -8.341 -5.598 362 H GLN 55 H GLN 55 -11.988 -8.020 -6.537 363 HA GLN 55 HA GLN 55 -9.530 -8.701 -5.140 364 HB2 GLN 55 1HB GLN 55 -10.199 -7.984 -7.979 365 HB3 GLN 55 2HB GLN 55 -8.532 -7.979 -7.419 366 HG2 GLN 55 1HG GLN 55 -10.245 -10.382 -6.976 367 HG3 GLN 55 2HG GLN 55 -9.516 -10.091 -8.555 368 HE21 GLN 55 1HE2 GLN 55 -7.093 -9.308 -8.215 369 HE22 GLN 55 2HE2 GLN 55 -6.155 -10.381 -7.238 370 H PHE 56 H PHE 56 -7.669 -7.189 -5.269 371 HA PHE 56 HA PHE 56 -8.580 -4.454 -4.698 372 HB2 PHE 56 1HB PHE 56 -5.976 -5.781 -3.918 373 HB3 PHE 56 2HB PHE 56 -6.535 -4.194 -3.401 374 HD1 PHE 56 1HD PHE 56 -7.822 -7.700 -3.448 375 HD2 PHE 56 2HD PHE 56 -7.366 -4.068 -1.275 376 HE1 PHE 56 1HE PHE 56 -8.924 -8.729 -1.504 377 HE2 PHE 56 2HE PHE 56 -8.467 -5.092 0.673 378 HZ PHE 56 HZ PHE 56 -9.247 -7.425 0.560 379 H ARG 57 H ARG 57 -7.866 -2.752 -5.852 380 HA ARG 57 HA ARG 57 -5.967 -3.314 -8.030 381 HB2 ARG 57 1HB ARG 57 -7.034 -1.560 -9.298 382 HB3 ARG 57 2HB ARG 57 -8.264 -2.680 -8.728 383 HG2 ARG 57 1HG ARG 57 -9.296 -0.721 -8.240 384 HG3 ARG 57 2HG ARG 57 -8.402 -0.948 -6.736 385 HD2 ARG 57 1HD ARG 57 -6.785 0.631 -7.320 386 HD3 ARG 57 2HD ARG 57 -7.209 0.566 -9.030 387 HE ARG 57 HE ARG 57 -9.303 1.554 -7.307 388 HH11 ARG 57 2HH1 ARG 57 -6.534 2.364 -9.257 389 HH12 ARG 57 1HH1 ARG 57 -7.017 4.011 -9.491 390 HH21 ARG 57 2HH2 ARG 57 -9.950 3.721 -7.609 391 HH22 ARG 57 1HH2 ARG 57 -8.960 4.782 -8.552 392 H GLU 58 H GLU 58 -4.662 -1.408 -8.737 393 HA GLU 58 HA GLU 58 -3.300 -0.304 -6.473 394 HB2 GLU 58 1HB GLU 58 -2.950 -0.039 -9.450 395 HB3 GLU 58 2HB GLU 58 -1.993 0.914 -8.325 396 HG2 GLU 58 1HG GLU 58 -0.595 -0.849 -8.649 397 HG3 GLU 58 2HG GLU 58 -1.504 -1.432 -7.255 398 H VAL 59 H VAL 59 -3.410 1.698 -5.625 399 HA VAL 59 HA VAL 59 -5.233 3.621 -6.918 400 HB VAL 59 HB VAL 59 -5.700 4.497 -4.626 401 HG11 VAL 59 1HG1 VAL 59 -6.717 1.910 -4.124 402 HG12 VAL 59 2HG1 VAL 59 -7.543 3.284 -4.863 403 HG13 VAL 59 3HG1 VAL 59 -6.677 2.126 -5.874 404 HG21 VAL 59 1HG2 VAL 59 -4.430 1.942 -3.662 405 HG22 VAL 59 2HG2 VAL 59 -3.629 3.512 -3.610 406 HG23 VAL 59 3HG2 VAL 59 -5.106 3.245 -2.685 407 H TYR 60 H TYR 60 -2.146 3.060 -5.485 408 HA TYR 60 HA TYR 60 -1.177 5.597 -6.422 409 HB2 TYR 60 1HB TYR 60 -1.733 6.638 -4.466 410 HB3 TYR 60 2HB TYR 60 -1.724 5.141 -3.540 411 HD1 TYR 60 1HD TYR 60 0.412 4.225 -2.690 412 HD2 TYR 60 2HD TYR 60 0.220 8.008 -4.628 413 HE1 TYR 60 1HE TYR 60 2.620 4.799 -1.774 414 HE2 TYR 60 2HE TYR 60 2.429 8.592 -3.718 415 HH TYR 60 HH TYR 60 3.855 7.044 -1.220 416 H VAL 61 H VAL 61 1.143 5.773 -6.294 417 HA VAL 61 HA VAL 61 2.735 3.637 -5.264 418 HB VAL 61 HB VAL 61 1.921 2.450 -7.208 419 HG11 VAL 61 1HG1 VAL 61 1.474 3.425 -9.155 420 HG12 VAL 61 2HG1 VAL 61 1.918 4.966 -8.418 421 HG13 VAL 61 3HG1 VAL 61 3.126 4.026 -9.296 422 HG21 VAL 61 1HG2 VAL 61 4.045 1.944 -8.306 423 HG22 VAL 61 2HG2 VAL 61 4.750 3.413 -7.630 424 HG23 VAL 61 3HG2 VAL 61 4.251 2.101 -6.562 425 H GLY 62 H GLY 62 4.573 4.567 -4.665 426 HA2 GLY 62 1HA GLY 62 6.188 6.132 -6.376 427 HA3 GLY 62 2HA GLY 62 5.295 7.190 -5.294 428 H LYS 63 H LYS 63 6.923 7.915 -4.020 429 HA LYS 63 HA LYS 63 8.250 5.897 -2.343 430 HB2 LYS 63 1HB LYS 63 10.320 7.234 -2.396 431 HB3 LYS 63 2HB LYS 63 9.883 6.630 -3.989 432 HG2 LYS 63 1HG LYS 63 8.998 8.806 -4.597 433 HG3 LYS 63 2HG LYS 63 9.360 9.421 -2.983 434 HD2 LYS 63 1HD LYS 63 11.653 9.391 -3.349 435 HD3 LYS 63 2HD LYS 63 11.527 8.219 -4.664 436 HE2 LYS 63 1HE LYS 63 10.211 10.097 -5.873 437 HE3 LYS 63 2HE LYS 63 10.963 11.160 -4.685 438 HZ1 LYS 63 1HZ LYS 63 12.415 11.193 -6.477 439 HZ2 LYS 63 2HZ LYS 63 12.259 9.536 -6.782 440 HZ3 LYS 63 3HZ LYS 63 13.130 10.069 -5.433 441 H GLU 64 H GLU 64 5.908 7.655 -1.945 442 HA GLU 64 HA GLU 64 6.857 9.558 0.053 443 HB2 GLU 64 1HB GLU 64 4.067 9.015 -0.976 444 HB3 GLU 64 2HB GLU 64 4.502 10.289 0.155 445 HG2 GLU 64 1HG GLU 64 6.025 11.206 -1.609 446 HG3 GLU 64 2HG GLU 64 5.321 10.037 -2.725 447 H THR 65 H THR 65 5.810 9.626 2.180 448 HA THR 65 HA THR 65 5.148 6.920 3.146 449 HB THR 65 HB THR 65 7.341 7.742 3.966 450 HG1 THR 65 1HG THR 65 5.181 7.132 5.630 451 HG21 THR 65 1HG2 THR 65 7.288 10.021 4.213 452 HG22 THR 65 2HG2 THR 65 6.990 9.533 5.881 453 HG23 THR 65 3HG2 THR 65 5.645 10.022 4.851 454 H MET 66 H MET 66 3.335 9.039 2.179 455 HA MET 66 HA MET 66 1.386 8.857 4.234 456 HB2 MET 66 1HB MET 66 2.549 10.622 5.325 457 HB3 MET 66 2HB MET 66 2.759 11.509 3.821 458 HG2 MET 66 1HG MET 66 0.233 11.706 3.756 459 HG3 MET 66 2HG MET 66 0.251 11.132 5.421 460 HE1 MET 66 1HE MET 66 -1.071 13.539 6.083 461 HE2 MET 66 2HE MET 66 -0.029 12.643 7.189 462 HE3 MET 66 3HE MET 66 0.096 14.400 7.087 463 H CYS 67 H CYS 67 -0.394 8.529 3.090 464 HA CYS 67 HA CYS 67 -1.076 10.350 0.923 465 HB2 CYS 67 1HB CYS 67 0.166 8.410 -0.090 466 HB3 CYS 67 2HB CYS 67 -1.119 7.359 0.492 467 HG CYS 67 HG CYS 67 -3.002 8.085 -1.230 468 H THR 68 H THR 68 -3.176 10.851 0.948 469 HA THR 68 HA THR 68 -5.018 9.059 2.390 470 HB THR 68 HB THR 68 -4.431 11.119 3.705 471 HG1 THR 68 1HG THR 68 -6.759 9.983 3.309 472 HG21 THR 68 1HG2 THR 68 -5.138 13.258 3.027 473 HG22 THR 68 2HG2 THR 68 -6.125 12.610 1.717 474 HG23 THR 68 3HG2 THR 68 -4.366 12.570 1.599 475 H VAL 69 H VAL 69 -7.177 9.018 1.663 476 HA VAL 69 HA VAL 69 -7.475 9.834 -1.137 477 HB VAL 69 HB VAL 69 -9.313 8.005 0.398 478 HG11 VAL 69 1HG1 VAL 69 -10.444 8.520 -1.519 479 HG12 VAL 69 2HG1 VAL 69 -8.969 8.803 -2.445 480 HG13 VAL 69 3HG1 VAL 69 -9.489 7.154 -2.095 481 HG21 VAL 69 1HG2 VAL 69 -6.747 7.387 0.181 482 HG22 VAL 69 2HG2 VAL 69 -8.013 6.176 -0.023 483 HG23 VAL 69 3HG2 VAL 69 -7.253 6.904 -1.438 484 H ASP 70 H ASP 70 -9.438 10.804 -1.871 485 HA ASP 70 HA ASP 70 -10.935 12.221 0.235 486 HB2 ASP 70 1HB ASP 70 -9.805 14.013 -0.637 487 HB3 ASP 70 2HB ASP 70 -9.608 13.257 -2.216 488 H GLY 71 H GLY 71 -13.116 12.236 0.070 489 HA2 GLY 71 1HA GLY 71 -15.213 12.013 -0.923 490 HA3 GLY 71 2HA GLY 71 -14.424 11.585 -2.434 491 H LEU 72 H LEU 72 -13.237 9.830 0.202 492 HA LEU 72 HA LEU 72 -13.926 7.341 -0.790 493 HB2 LEU 72 1HB LEU 72 -13.220 8.265 1.977 494 HB3 LEU 72 2HB LEU 72 -13.537 6.569 1.619 495 HG LEU 72 HG LEU 72 -11.389 8.197 0.268 496 HD11 LEU 72 1HD1 LEU 72 -9.921 6.670 1.758 497 HD12 LEU 72 2HD1 LEU 72 -11.359 6.567 2.774 498 HD13 LEU 72 3HD1 LEU 72 -10.621 8.135 2.447 499 HD21 LEU 72 1HD2 LEU 72 -12.508 5.940 -0.629 500 HD22 LEU 72 2HD2 LEU 72 -11.313 5.246 0.467 501 HD23 LEU 72 3HD2 LEU 72 -10.797 6.313 -0.841 502 H HIS 73 H HIS 73 -15.734 6.180 -0.830 503 HA HIS 73 HA HIS 73 -18.213 7.160 -0.036 504 HB2 HIS 73 1HB HIS 73 -17.229 4.411 -0.743 505 HB3 HIS 73 2HB HIS 73 -18.891 4.656 -0.217 506 HD1 HIS 73 1HD HIS 73 -20.005 4.178 -2.438 507 HD2 HIS 73 2HD HIS 73 -17.092 7.131 -2.682 508 HE1 HIS 73 1HE HIS 73 -20.256 5.183 -4.729 509 HE2 HIS 73 2HE HIS 73 -18.428 6.908 -4.885 510 H PHE 74 H PHE 74 -19.624 6.619 1.660 511 HA PHE 74 HA PHE 74 -18.241 5.777 4.109 512 HB2 PHE 74 1HB PHE 74 -20.515 6.763 5.081 513 HB3 PHE 74 2HB PHE 74 -19.156 7.804 4.665 514 HD1 PHE 74 1HD PHE 74 -19.151 8.865 2.342 515 HD2 PHE 74 2HD PHE 74 -22.595 7.091 4.106 516 HE1 PHE 74 1HE PHE 74 -20.589 10.127 0.795 517 HE2 PHE 74 2HE PHE 74 -24.039 8.349 2.560 518 HZ PHE 74 HZ PHE 74 -23.036 9.869 0.901 519 H ASN 75 H ASN 75 -19.972 4.830 5.755 520 HA ASN 75 HA ASN 75 -20.906 2.799 6.293 521 HB2 ASN 75 1HB ASN 75 -23.183 2.556 5.390 522 HB3 ASN 75 2HB ASN 75 -22.857 4.217 5.873 523 HD21 ASN 75 1HD2 ASN 75 -23.790 5.571 4.537 524 HD22 ASN 75 2HD2 ASN 75 -23.869 5.420 2.818 525 H SER 76 H SER 76 -18.809 2.324 4.606 526 HA SER 76 HA SER 76 -19.695 -0.104 3.286 527 HB2 SER 76 1HB SER 76 -18.431 2.200 1.809 528 HB3 SER 76 2HB SER 76 -18.309 0.543 1.219 529 HG SER 76 HG SER 76 -20.662 2.065 1.644 530 H THR 77 H THR 77 -18.294 -1.688 3.671 531 HA THR 77 HA THR 77 -15.938 -1.249 5.177 532 HB THR 77 HB THR 77 -16.734 -3.750 3.675 533 HG1 THR 77 1HG THR 77 -17.225 -4.017 6.231 534 HG21 THR 77 1HG2 THR 77 -14.870 -3.326 6.015 535 HG22 THR 77 2HG2 THR 77 -14.401 -3.775 4.374 536 HG23 THR 77 3HG2 THR 77 -15.345 -4.892 5.359 537 H TYR 78 H TYR 78 -14.018 -0.598 4.487 538 HA TYR 78 HA TYR 78 -13.264 -1.153 1.692 539 HB2 TYR 78 1HB TYR 78 -12.966 1.273 3.389 540 HB3 TYR 78 2HB TYR 78 -11.661 0.907 2.266 541 HD1 TYR 78 2HD TYR 78 -12.564 0.246 -0.187 542 HD2 TYR 78 1HD TYR 78 -14.620 2.682 2.631 543 HE1 TYR 78 2HE TYR 78 -13.846 1.272 -2.018 544 HE2 TYR 78 1HE TYR 78 -15.909 3.714 0.808 545 HH TYR 78 HH TYR 78 -15.073 3.566 -2.346 546 H ASN 79 H ASN 79 -11.719 -2.623 1.526 547 HA ASN 79 HA ASN 79 -9.836 -2.971 3.753 548 HB2 ASN 79 1HB ASN 79 -10.466 -4.851 1.465 549 HB3 ASN 79 2HB ASN 79 -9.403 -5.198 2.826 550 HD21 ASN 79 1HD2 ASN 79 -10.948 -7.048 2.924 551 HD22 ASN 79 2HD2 ASN 79 -12.368 -6.843 3.887 552 H ALA 80 H ALA 80 -7.978 -1.929 3.496 553 HA ALA 80 HA ALA 80 -6.839 -1.721 0.786 554 HB1 ALA 80 1HB ALA 80 -5.864 0.319 1.351 555 HB2 ALA 80 2HB ALA 80 -7.455 0.393 2.109 556 HB3 ALA 80 3HB ALA 80 -6.031 0.028 3.082 557 H ARG 81 H ARG 81 -4.359 -1.479 0.871 558 HA ARG 81 HA ARG 81 -2.932 -2.744 2.977 559 HB2 ARG 81 1HB ARG 81 -2.266 -4.787 1.790 560 HB3 ARG 81 2HB ARG 81 -3.999 -4.750 2.086 561 HG2 ARG 81 1HG ARG 81 -4.144 -3.780 -0.307 562 HG3 ARG 81 2HG ARG 81 -2.516 -4.438 -0.488 563 HD2 ARG 81 1HD ARG 81 -3.487 -6.631 0.373 564 HD3 ARG 81 2HD ARG 81 -5.071 -5.905 0.102 565 HE ARG 81 HE ARG 81 -3.615 -5.612 -2.246 566 HH11 ARG 81 2HH1 ARG 81 -4.899 -8.185 -0.284 567 HH12 ARG 81 1HH1 ARG 81 -5.113 -9.271 -1.617 568 HH21 ARG 81 2HH2 ARG 81 -3.892 -7.033 -4.010 569 HH22 ARG 81 1HH2 ARG 81 -4.539 -8.615 -3.736 570 H VAL 82 H VAL 82 -0.892 -2.050 2.896 571 HA VAL 82 HA VAL 82 0.064 -0.875 0.376 572 HB VAL 82 HB VAL 82 -0.081 0.588 2.421 573 HG11 VAL 82 1HG1 VAL 82 2.446 -0.408 3.494 574 HG12 VAL 82 2HG1 VAL 82 0.982 0.110 4.333 575 HG13 VAL 82 3HG1 VAL 82 1.101 -1.531 3.696 576 HG21 VAL 82 1HG2 VAL 82 1.414 0.987 0.435 577 HG22 VAL 82 2HG2 VAL 82 1.932 1.754 1.936 578 HG23 VAL 82 3HG2 VAL 82 2.727 0.282 1.377 579 H LYS 83 H LYS 83 2.180 -1.270 -0.350 580 HA LYS 83 HA LYS 83 3.726 -3.352 0.985 581 HB2 LYS 83 1HB LYS 83 3.950 -4.663 -1.089 582 HB3 LYS 83 2HB LYS 83 2.287 -4.611 -0.519 583 HG2 LYS 83 1HG LYS 83 1.590 -3.269 -2.255 584 HG3 LYS 83 2HG LYS 83 3.209 -2.633 -2.552 585 HD2 LYS 83 1HD LYS 83 3.692 -5.181 -3.121 586 HD3 LYS 83 2HD LYS 83 1.961 -5.172 -3.463 587 HE2 LYS 83 1HE LYS 83 3.289 -4.693 -5.466 588 HE3 LYS 83 2HE LYS 83 2.259 -3.333 -5.024 589 HZ1 LYS 83 1HZ LYS 83 4.840 -3.090 -5.591 590 HZ2 LYS 83 2HZ LYS 83 4.945 -3.308 -3.918 591 HZ3 LYS 83 3HZ LYS 83 4.021 -2.039 -4.548 592 H ALA 84 H ALA 84 5.874 -3.667 -0.104 593 HA ALA 84 HA ALA 84 6.833 -1.077 -1.125 594 HB1 ALA 84 1HB ALA 84 8.019 -1.382 0.816 595 HB2 ALA 84 2HB ALA 84 8.063 -3.138 0.643 596 HB3 ALA 84 3HB ALA 84 9.107 -2.126 -0.356 597 H PHE 85 H PHE 85 8.043 -0.970 -2.969 598 HA PHE 85 HA PHE 85 8.670 -3.478 -4.356 599 HB2 PHE 85 1HB PHE 85 7.557 -2.928 -6.301 600 HB3 PHE 85 2HB PHE 85 6.467 -2.241 -5.102 601 HD1 PHE 85 1HD PHE 85 9.183 -1.419 -7.473 602 HD2 PHE 85 2HD PHE 85 5.999 0.058 -5.065 603 HE1 PHE 85 1HE PHE 85 9.389 0.781 -8.555 604 HE2 PHE 85 2HE PHE 85 6.200 2.260 -6.144 605 HZ PHE 85 HZ PHE 85 7.896 2.624 -7.892 606 H ASN 86 H ASN 86 10.538 -3.461 -5.525 607 HA ASN 86 HA ASN 86 11.889 -0.964 -6.111 608 HB2 ASN 86 1HB ASN 86 13.922 -1.509 -4.896 609 HB3 ASN 86 2HB ASN 86 12.562 -1.469 -3.777 610 HD21 ASN 86 1HD2 ASN 86 14.018 -2.713 -2.417 611 HD22 ASN 86 2HD2 ASN 86 14.098 -4.426 -2.623 612 H LYS 87 H LYS 87 14.250 -1.650 -6.963 613 HA LYS 87 HA LYS 87 14.089 -2.691 -9.413 614 HB2 LYS 87 1HB LYS 87 16.269 -2.758 -7.389 615 HB3 LYS 87 2HB LYS 87 16.480 -3.735 -8.836 616 HG2 LYS 87 1HG LYS 87 15.819 -0.804 -8.911 617 HG3 LYS 87 2HG LYS 87 17.469 -1.433 -8.924 618 HD2 LYS 87 1HD LYS 87 15.425 -2.363 -10.916 619 HD3 LYS 87 2HD LYS 87 16.358 -0.888 -11.179 620 HE2 LYS 87 1HE LYS 87 17.630 -3.548 -10.574 621 HE3 LYS 87 2HE LYS 87 17.284 -3.004 -12.215 622 HZ1 LYS 87 1HZ LYS 87 19.493 -2.400 -11.803 623 HZ2 LYS 87 2HZ LYS 87 19.153 -1.815 -10.253 624 HZ3 LYS 87 3HZ LYS 87 18.623 -0.962 -11.614 625 H THR 88 H THR 88 14.635 -4.677 -6.513 626 HA THR 88 HA THR 88 14.892 -7.167 -7.586 627 HB THR 88 HB THR 88 13.168 -6.558 -5.178 628 HG1 THR 88 1HG THR 88 15.364 -7.085 -4.174 629 HG21 THR 88 1HG2 THR 88 13.526 -8.957 -6.383 630 HG22 THR 88 2HG2 THR 88 13.248 -8.754 -4.653 631 HG23 THR 88 3HG2 THR 88 14.890 -8.946 -5.266 632 H GLY 89 H GLY 89 11.721 -6.055 -6.384 633 HA2 GLY 89 1HA GLY 89 10.317 -6.604 -8.773 634 HA3 GLY 89 2HA GLY 89 10.222 -8.001 -7.711 635 H VAL 90 H VAL 90 8.826 -7.986 -6.025 636 HA VAL 90 HA VAL 90 7.696 -5.530 -5.022 637 HB VAL 90 HB VAL 90 5.318 -6.660 -5.486 638 HG11 VAL 90 1HG1 VAL 90 6.184 -4.348 -6.051 639 HG12 VAL 90 2HG1 VAL 90 6.645 -5.009 -7.621 640 HG13 VAL 90 3HG1 VAL 90 4.951 -5.004 -7.128 641 HG21 VAL 90 1HG2 VAL 90 5.239 -7.507 -7.796 642 HG22 VAL 90 2HG2 VAL 90 7.000 -7.444 -7.866 643 HG23 VAL 90 3HG2 VAL 90 6.201 -8.541 -6.740 644 H SER 91 H SER 91 6.619 -5.788 -3.060 645 HA SER 91 HA SER 91 7.050 -8.396 -1.793 646 HB2 SER 91 1HB SER 91 6.993 -5.585 -0.826 647 HB3 SER 91 2HB SER 91 6.407 -6.823 0.286 648 HG SER 91 HG SER 91 8.378 -7.521 0.537 649 HA PRO 92 HA PRO 92 2.792 -9.336 -1.322 650 HB2 PRO 92 1HB PRO 92 2.667 -10.316 1.207 651 HB3 PRO 92 2HB PRO 92 3.424 -11.194 -0.127 652 HG2 PRO 92 1HG PRO 92 4.700 -9.543 2.019 653 HG3 PRO 92 2HG PRO 92 5.204 -11.112 1.366 654 HD2 PRO 92 1HD PRO 92 6.362 -8.782 0.615 655 HD3 PRO 92 2HD PRO 92 6.196 -10.165 -0.486 656 H TYR 93 H TYR 93 0.905 -8.376 -0.757 657 HA TYR 93 HA TYR 93 0.919 -5.832 0.435 658 HB2 TYR 93 1HB TYR 93 -1.373 -7.731 -0.096 659 HB3 TYR 93 2HB TYR 93 -1.572 -6.055 0.401 660 HD1 TYR 93 1HD TYR 93 -0.523 -4.254 -1.120 661 HD2 TYR 93 2HD TYR 93 -1.202 -8.267 -2.359 662 HE1 TYR 93 1HE TYR 93 -0.419 -3.539 -3.471 663 HE2 TYR 93 2HE TYR 93 -1.099 -7.564 -4.713 664 HH TYR 93 HH TYR 93 -1.345 -4.421 -5.705 665 H SER 94 H SER 94 0.810 -5.186 2.484 666 HA SER 94 HA SER 94 1.142 -6.870 4.651 667 HB2 SER 94 1HB SER 94 0.362 -4.882 6.029 668 HB3 SER 94 2HB SER 94 1.687 -4.564 4.910 669 HG SER 94 HG SER 94 0.159 -3.686 3.463 670 H LYS 95 H LYS 95 -0.444 -6.801 6.616 671 HA LYS 95 HA LYS 95 -2.534 -8.498 6.180 672 HB2 LYS 95 1HB LYS 95 -1.500 -7.567 8.394 673 HB3 LYS 95 2HB LYS 95 -2.805 -6.391 8.296 674 HG2 LYS 95 1HG LYS 95 -4.459 -8.071 8.458 675 HG3 LYS 95 2HG LYS 95 -3.277 -9.357 8.198 676 HD2 LYS 95 1HD LYS 95 -3.591 -9.442 10.488 677 HD3 LYS 95 2HD LYS 95 -2.167 -8.408 10.351 678 HE2 LYS 95 1HE LYS 95 -3.713 -7.448 11.937 679 HE3 LYS 95 2HE LYS 95 -3.633 -6.428 10.502 680 HZ1 LYS 95 1HZ LYS 95 -5.916 -7.056 11.542 681 HZ2 LYS 95 2HZ LYS 95 -5.715 -8.492 10.670 682 HZ3 LYS 95 3HZ LYS 95 -5.738 -7.007 9.860 683 H THR 96 H THR 96 -4.896 -8.119 6.434 684 HA THR 96 HA THR 96 -5.782 -6.223 4.482 685 HB THR 96 HB THR 96 -7.535 -7.846 6.328 686 HG1 THR 96 1HG THR 96 -5.818 -8.977 4.949 687 HG21 THR 96 1HG2 THR 96 -8.776 -6.197 5.114 688 HG22 THR 96 2HG2 THR 96 -9.065 -7.757 4.342 689 HG23 THR 96 3HG2 THR 96 -7.949 -6.604 3.611 690 H LEU 97 H LEU 97 -5.794 -4.122 5.006 691 HA LEU 97 HA LEU 97 -6.562 -3.277 7.684 692 HB2 LEU 97 1HB LEU 97 -4.693 -2.115 6.913 693 HB3 LEU 97 2HB LEU 97 -5.374 -1.905 5.301 694 HG LEU 97 HG LEU 97 -7.062 -0.341 6.378 695 HD11 LEU 97 1HD1 LEU 97 -6.801 -0.989 8.680 696 HD12 LEU 97 2HD1 LEU 97 -6.318 0.697 8.496 697 HD13 LEU 97 3HD1 LEU 97 -5.090 -0.561 8.647 698 HD21 LEU 97 1HD2 LEU 97 -4.264 0.077 5.716 699 HD22 LEU 97 2HD2 LEU 97 -4.889 1.299 6.824 700 HD23 LEU 97 3HD2 LEU 97 -5.687 1.023 5.275 701 H VAL 98 H VAL 98 -8.745 -3.518 7.873 702 HA VAL 98 HA VAL 98 -10.495 -2.435 5.806 703 HB VAL 98 HB VAL 98 -11.331 -4.480 6.537 704 HG11 VAL 98 1HG1 VAL 98 -11.688 -4.602 9.220 705 HG12 VAL 98 2HG1 VAL 98 -10.288 -5.262 8.371 706 HG13 VAL 98 3HG1 VAL 98 -10.195 -3.669 9.123 707 HG21 VAL 98 1HG2 VAL 98 -13.046 -2.714 6.541 708 HG22 VAL 98 2HG2 VAL 98 -13.407 -3.996 7.697 709 HG23 VAL 98 3HG2 VAL 98 -12.758 -2.457 8.262 710 H LEU 99 H LEU 99 -11.459 -0.513 5.937 711 HA LEU 99 HA LEU 99 -11.310 0.937 8.495 712 HB2 LEU 99 1HB LEU 99 -11.570 2.114 5.735 713 HB3 LEU 99 2HB LEU 99 -11.284 2.985 7.240 714 HG LEU 99 HG LEU 99 -9.103 1.488 7.277 715 HD11 LEU 99 1HD1 LEU 99 -10.204 0.912 4.721 716 HD12 LEU 99 2HD1 LEU 99 -8.694 0.340 5.429 717 HD13 LEU 99 3HD1 LEU 99 -8.718 1.836 4.496 718 HD21 LEU 99 1HD2 LEU 99 -8.783 3.769 7.359 719 HD22 LEU 99 2HD2 LEU 99 -9.677 4.057 5.866 720 HD23 LEU 99 3HD2 LEU 99 -8.055 3.365 5.804 721 H GLN 100 H GLN 100 -13.276 0.118 9.290 722 HA GLN 100 HA GLN 100 -15.712 0.139 7.892 723 HB2 GLN 100 1HB GLN 100 -15.010 0.111 10.813 724 HB3 GLN 100 2HB GLN 100 -16.686 0.192 10.288 725 HG2 GLN 100 1HG GLN 100 -14.704 -1.993 9.703 726 HG3 GLN 100 2HG GLN 100 -16.120 -2.085 10.749 727 HE21 GLN 100 1HE2 GLN 100 -15.049 -1.726 7.426 728 HE22 GLN 100 2HE2 GLN 100 -16.496 -2.326 6.697 729 H THR 101 H THR 101 -16.209 2.025 6.874 730 HA THR 101 HA THR 101 -15.977 4.581 8.143 731 HB THR 101 HB THR 101 -17.333 5.356 6.123 732 HG1 THR 101 1HG THR 101 -17.597 3.842 4.476 733 HG21 THR 101 1HG2 THR 101 -15.234 5.816 5.509 734 HG22 THR 101 2HG2 THR 101 -15.238 4.277 4.646 735 HG23 THR 101 3HG2 THR 101 -14.616 4.363 6.293 736 H SER 102 H SER 102 -17.485 5.763 9.185 737 HA SER 102 HA SER 102 -19.775 4.475 10.239 738 HB2 SER 102 1HB SER 102 -18.410 6.405 11.259 739 HB3 SER 102 2HB SER 102 -19.370 7.462 10.225 740 HG SER 102 HG SER 102 -20.210 5.827 12.361 741 H GLU 103 H GLU 103 -21.964 5.745 10.169 742 HA GLU 103 HA GLU 103 -22.764 5.774 7.376 743 HB2 GLU 103 1HB GLU 103 -24.183 5.599 9.995 744 HB3 GLU 103 2HB GLU 103 -25.075 6.195 8.602 745 HG2 GLU 103 1HG GLU 103 -25.553 3.998 8.397 746 HG3 GLU 103 2HG GLU 103 -24.043 4.023 7.488 747 H GLY 104 H GLY 104 -24.790 7.468 7.154 748 HA2 GLY 104 1HA GLY 104 -23.562 9.979 6.832 749 HA3 GLY 104 2HA GLY 104 -25.287 9.665 6.713 750 H SER 105 H SER 105 -22.685 10.681 8.793 751 HA SER 105 HA SER 105 -24.654 11.878 10.595 752 HB2 SER 105 1HB SER 105 -23.443 11.120 12.584 753 HB3 SER 105 2HB SER 105 -23.989 9.738 11.634 754 HG SER 105 HG SER 105 -21.388 10.778 11.926 755 H GLY 106 H GLY 106 -23.655 13.509 12.055 756 HA2 GLY 106 1HA GLY 106 -21.067 14.543 11.214 757 HA3 GLY 106 2HA GLY 106 -22.451 15.566 10.861 758 HA PRO 107 HA PRO 107 -21.130 15.517 15.544 759 HB2 PRO 107 1HB PRO 107 -18.692 16.709 15.618 760 HB3 PRO 107 2HB PRO 107 -18.902 14.956 15.542 761 HG2 PRO 107 1HG PRO 107 -18.283 16.887 13.339 762 HG3 PRO 107 2HG PRO 107 -17.583 15.288 13.656 763 HD2 PRO 107 1HD PRO 107 -19.501 15.695 11.787 764 HD3 PRO 107 2HD PRO 107 -19.366 14.180 12.703 765 H SER 108 H SER 108 -21.576 17.566 13.011 766 HA SER 108 HA SER 108 -22.340 19.704 12.840 767 HB2 SER 108 1HB SER 108 -22.330 19.739 15.866 768 HB3 SER 108 2HB SER 108 -23.227 20.818 14.798 769 HG SER 108 HG SER 108 -23.846 18.305 15.653 770 H SER 109 H SER 109 -19.685 19.376 12.491 771 HA SER 109 HA SER 109 -17.878 20.729 14.054 772 HB2 SER 109 1HB SER 109 -16.598 21.142 11.956 773 HB3 SER 109 2HB SER 109 -17.178 19.482 12.090 774 HG SER 109 HG SER 109 -17.766 20.028 10.087 775 H GLY 110 H GLY 110 -17.284 22.821 14.394 776 HA2 GLY 110 1HA GLY 110 -19.243 24.844 13.815 777 HA3 GLY 110 2HA GLY 110 -17.743 25.067 14.703 Start of MODEL 17 1 H1 GLY 1 H GLY 1 24.296 -19.331 -10.590 2 HA2 GLY 1 1HA GLY 1 26.161 -18.159 -12.447 3 HA3 GLY 1 2HA GLY 1 24.517 -18.225 -13.066 4 H SER 2 H SER 2 22.837 -17.381 -11.422 5 HA SER 2 HA SER 2 23.915 -14.951 -10.150 6 HB2 SER 2 1HB SER 2 21.419 -15.316 -11.804 7 HB3 SER 2 2HB SER 2 21.624 -13.947 -10.711 8 HG SER 2 HG SER 2 23.766 -13.794 -11.958 9 H SER 3 H SER 3 23.685 -17.288 -8.716 10 HA SER 3 HA SER 3 21.166 -17.198 -7.261 11 HB2 SER 3 1HB SER 3 21.923 -19.409 -7.663 12 HB3 SER 3 2HB SER 3 23.565 -19.025 -7.148 13 HG SER 3 HG SER 3 22.990 -19.542 -5.207 14 H GLY 4 H GLY 4 24.487 -16.212 -6.913 15 HA2 GLY 4 1HA GLY 4 23.994 -15.444 -4.114 16 HA3 GLY 4 2HA GLY 4 25.577 -15.612 -4.858 17 H SER 5 H SER 5 25.316 -13.398 -3.495 18 HA SER 5 HA SER 5 25.158 -11.110 -3.520 19 HB2 SER 5 1HB SER 5 26.363 -11.754 -6.215 20 HB3 SER 5 2HB SER 5 26.260 -10.113 -5.579 21 HG SER 5 HG SER 5 28.252 -11.471 -5.174 22 H SER 6 H SER 6 22.676 -12.051 -3.914 23 HA SER 6 HA SER 6 21.596 -10.512 -6.178 24 HB2 SER 6 1HB SER 6 20.649 -12.965 -4.741 25 HB3 SER 6 2HB SER 6 19.471 -11.922 -5.539 26 HG SER 6 HG SER 6 21.459 -13.535 -6.632 27 H GLY 7 H GLY 7 19.580 -9.342 -5.821 28 HA2 GLY 7 1HA GLY 7 19.498 -8.218 -3.096 29 HA3 GLY 7 2HA GLY 7 19.031 -7.357 -4.555 30 HA PRO 8 HA PRO 8 15.540 -10.359 -2.928 31 HB2 PRO 8 1HB PRO 8 15.201 -9.986 -0.260 32 HB3 PRO 8 2HB PRO 8 16.234 -11.256 -0.929 33 HG2 PRO 8 1HG PRO 8 16.995 -8.573 0.160 34 HG3 PRO 8 2HG PRO 8 17.774 -10.146 0.413 35 HD2 PRO 8 1HD PRO 8 18.721 -8.316 -1.344 36 HD3 PRO 8 2HD PRO 8 18.878 -10.064 -1.609 37 H VAL 9 H VAL 9 13.372 -9.716 -2.297 38 HA VAL 9 HA VAL 9 12.705 -7.113 -3.080 39 HB VAL 9 HB VAL 9 10.443 -7.661 -2.007 40 HG11 VAL 9 1HG1 VAL 9 10.334 -8.012 -4.240 41 HG12 VAL 9 2HG1 VAL 9 11.787 -9.013 -4.266 42 HG13 VAL 9 3HG1 VAL 9 10.251 -9.699 -3.735 43 HG21 VAL 9 1HG2 VAL 9 10.178 -9.497 -0.771 44 HG22 VAL 9 2HG2 VAL 9 11.028 -10.501 -1.947 45 HG23 VAL 9 3HG2 VAL 9 11.937 -9.612 -0.725 46 HA PRO 10 HA PRO 10 13.119 -4.622 0.512 47 HB2 PRO 10 1HB PRO 10 11.032 -2.910 0.217 48 HB3 PRO 10 2HB PRO 10 12.481 -2.841 -0.793 49 HG2 PRO 10 1HG PRO 10 9.814 -4.063 -1.389 50 HG3 PRO 10 2HG PRO 10 10.854 -3.080 -2.436 51 HD2 PRO 10 1HD PRO 10 10.739 -5.779 -2.618 52 HD3 PRO 10 2HD PRO 10 12.217 -4.861 -2.967 53 H ALA 11 H ALA 11 12.672 -5.102 2.560 54 HA ALA 11 HA ALA 11 10.792 -6.797 3.529 55 HB1 ALA 11 1HB ALA 11 11.859 -4.359 4.948 56 HB2 ALA 11 2HB ALA 11 11.085 -5.741 5.724 57 HB3 ALA 11 3HB ALA 11 12.622 -5.948 4.884 58 H THR 12 H THR 12 8.655 -6.818 3.779 59 HA THR 12 HA THR 12 6.949 -4.903 2.746 60 HB THR 12 HB THR 12 6.357 -6.910 4.930 61 HG1 THR 12 1HG THR 12 5.754 -7.101 2.161 62 HG21 THR 12 1HG2 THR 12 4.344 -5.707 3.054 63 HG22 THR 12 2HG2 THR 12 4.730 -4.942 4.595 64 HG23 THR 12 3HG2 THR 12 4.070 -6.576 4.563 65 HA PRO 13 HA PRO 13 6.945 -1.651 5.728 66 HB2 PRO 13 1HB PRO 13 4.630 -0.443 4.982 67 HB3 PRO 13 2HB PRO 13 6.123 -0.322 4.043 68 HG2 PRO 13 1HG PRO 13 3.755 -2.103 3.615 69 HG3 PRO 13 2HG PRO 13 4.694 -1.185 2.424 70 HD2 PRO 13 1HD PRO 13 5.050 -3.839 2.827 71 HD3 PRO 13 2HD PRO 13 6.376 -2.760 2.349 72 H ILE 14 H ILE 14 5.741 -0.864 7.549 73 HA ILE 14 HA ILE 14 3.910 -2.887 8.635 74 HB ILE 14 HB ILE 14 5.149 -0.690 10.260 75 HG12 ILE 14 1HG1 ILE 14 6.786 -2.789 10.766 76 HG13 ILE 14 2HG1 ILE 14 6.476 -3.043 9.052 77 HG21 ILE 14 1HG2 ILE 14 3.301 -2.174 11.125 78 HG22 ILE 14 2HG2 ILE 14 4.449 -3.509 11.039 79 HG23 ILE 14 3HG2 ILE 14 4.772 -2.135 12.096 80 HD11 ILE 14 1HD1 ILE 14 7.113 -0.565 8.797 81 HD12 ILE 14 2HD1 ILE 14 7.819 -0.744 10.403 82 HD13 ILE 14 3HD1 ILE 14 8.390 -1.749 9.072 83 H LEU 15 H LEU 15 1.887 -2.336 8.029 84 HA LEU 15 HA LEU 15 0.917 0.276 7.694 85 HB2 LEU 15 1HB LEU 15 -0.043 -2.006 6.925 86 HB3 LEU 15 2HB LEU 15 -0.849 -2.006 8.492 87 HG LEU 15 HG LEU 15 -1.180 0.368 6.722 88 HD11 LEU 15 1HD1 LEU 15 -3.227 -0.877 5.797 89 HD12 LEU 15 2HD1 LEU 15 -2.365 -2.345 6.257 90 HD13 LEU 15 3HD1 LEU 15 -1.648 -1.229 5.095 91 HD21 LEU 15 1HD2 LEU 15 -2.649 0.877 8.301 92 HD22 LEU 15 2HD2 LEU 15 -2.283 -0.629 9.143 93 HD23 LEU 15 3HD2 LEU 15 -3.562 -0.585 7.929 94 H GLN 16 H GLN 16 0.704 1.781 9.203 95 HA GLN 16 HA GLN 16 -0.376 1.003 11.823 96 HB2 GLN 16 1HB GLN 16 2.023 2.725 11.248 97 HB3 GLN 16 2HB GLN 16 1.128 2.874 12.754 98 HG2 GLN 16 1HG GLN 16 2.183 0.229 11.833 99 HG3 GLN 16 2HG GLN 16 3.201 1.374 12.706 100 HE21 GLN 16 1HE2 GLN 16 1.799 2.366 14.645 101 HE22 GLN 16 2HE2 GLN 16 1.138 1.156 15.685 102 H LEU 17 H LEU 17 -2.033 1.887 9.894 103 HA LEU 17 HA LEU 17 -2.490 4.478 9.341 104 HB2 LEU 17 1HB LEU 17 -3.962 2.421 8.910 105 HB3 LEU 17 2HB LEU 17 -4.719 2.806 10.454 106 HG LEU 17 HG LEU 17 -4.582 4.810 8.220 107 HD11 LEU 17 1HD1 LEU 17 -6.293 2.423 8.472 108 HD12 LEU 17 2HD1 LEU 17 -5.827 3.345 7.043 109 HD13 LEU 17 3HD1 LEU 17 -7.118 3.934 8.090 110 HD21 LEU 17 1HD2 LEU 17 -5.474 4.866 10.892 111 HD22 LEU 17 2HD2 LEU 17 -6.913 4.898 9.872 112 HD23 LEU 17 3HD2 LEU 17 -5.653 6.114 9.659 113 H GLU 18 H GLU 18 -2.980 6.332 10.362 114 HA GLU 18 HA GLU 18 -3.095 6.262 13.284 115 HB2 GLU 18 1HB GLU 18 -2.618 8.526 11.342 116 HB3 GLU 18 2HB GLU 18 -2.722 8.735 13.084 117 HG2 GLU 18 1HG GLU 18 -0.743 6.877 11.809 118 HG3 GLU 18 2HG GLU 18 -0.405 8.587 12.074 119 H GLU 19 H GLU 19 -4.796 7.783 10.551 120 HA GLU 19 HA GLU 19 -6.788 9.146 11.757 121 HB2 GLU 19 1HB GLU 19 -6.376 8.546 9.234 122 HB3 GLU 19 2HB GLU 19 -7.565 7.288 9.543 123 HG2 GLU 19 1HG GLU 19 -9.268 8.804 9.923 124 HG3 GLU 19 2HG GLU 19 -8.152 10.121 10.279 125 H CYS 20 H CYS 20 -7.489 8.371 13.717 126 HA CYS 20 HA CYS 20 -8.572 5.697 13.940 127 HB2 CYS 20 1HB CYS 20 -7.299 7.158 15.741 128 HB3 CYS 20 2HB CYS 20 -8.919 7.753 16.080 129 HG CYS 20 HG CYS 20 -9.689 5.762 17.509 130 H CYS 21 H CYS 21 -10.744 5.660 15.316 131 HA CYS 21 HA CYS 21 -12.864 6.053 13.724 132 HB2 CYS 21 1HB CYS 21 -12.785 6.443 16.721 133 HB3 CYS 21 2HB CYS 21 -14.271 6.300 15.791 134 HG CYS 21 HG CYS 21 -11.876 3.879 16.129 135 H THR 22 H THR 22 -12.895 7.867 12.458 136 HA THR 22 HA THR 22 -13.708 10.336 13.804 137 HB THR 22 HB THR 22 -11.554 10.234 11.683 138 HG1 THR 22 1HG THR 22 -11.469 10.993 14.432 139 HG21 THR 22 1HG2 THR 22 -13.316 12.198 11.819 140 HG22 THR 22 2HG2 THR 22 -11.604 12.524 11.548 141 HG23 THR 22 3HG2 THR 22 -12.293 12.714 13.159 142 H HIS 23 H HIS 23 -15.519 11.078 12.927 143 HA HIS 23 HA HIS 23 -16.771 9.922 10.712 144 HB2 HIS 23 1HB HIS 23 -18.328 11.853 10.831 145 HB3 HIS 23 2HB HIS 23 -18.048 11.105 12.400 146 HD1 HIS 23 1HD HIS 23 -18.156 14.316 10.814 147 HD2 HIS 23 2HD HIS 23 -15.974 12.637 13.925 148 HE1 HIS 23 1HE HIS 23 -17.244 16.261 12.121 149 HE2 HIS 23 2HE HIS 23 -15.857 15.221 13.948 150 H ASN 24 H ASN 24 -15.690 9.900 8.810 151 HA ASN 24 HA ASN 24 -15.584 12.321 7.293 152 HB2 ASN 24 1HB ASN 24 -13.452 12.353 8.700 153 HB3 ASN 24 2HB ASN 24 -12.924 10.971 7.744 154 HD21 ASN 24 1HD2 ASN 24 -11.214 12.034 6.815 155 HD22 ASN 24 2HD2 ASN 24 -11.412 13.292 5.648 156 H ASN 25 H ASN 25 -14.379 11.820 5.108 157 HA ASN 25 HA ASN 25 -15.044 9.063 4.312 158 HB2 ASN 25 1HB ASN 25 -15.784 11.669 3.045 159 HB3 ASN 25 2HB ASN 25 -15.514 10.269 2.011 160 HD21 ASN 25 1HD2 ASN 25 -17.708 10.348 1.405 161 HD22 ASN 25 2HD2 ASN 25 -18.945 9.748 2.451 162 H SER 26 H SER 26 -12.478 10.262 5.100 163 HA SER 26 HA SER 26 -10.997 9.645 2.639 164 HB2 SER 26 1HB SER 26 -10.213 11.851 4.554 165 HB3 SER 26 2HB SER 26 -9.432 11.441 3.027 166 HG SER 26 HG SER 26 -12.139 12.255 3.213 167 H ALA 27 H ALA 27 -9.382 8.230 2.905 168 HA ALA 27 HA ALA 27 -8.741 7.402 5.651 169 HB1 ALA 27 1HB ALA 27 -8.769 5.971 3.030 170 HB2 ALA 27 2HB ALA 27 -7.745 5.381 4.340 171 HB3 ALA 27 3HB ALA 27 -9.489 5.507 4.572 172 H THR 28 H THR 28 -6.813 7.862 6.473 173 HA THR 28 HA THR 28 -4.709 8.827 4.669 174 HB THR 28 HB THR 28 -5.018 9.161 7.658 175 HG1 THR 28 1HG THR 28 -5.149 11.083 5.556 176 HG21 THR 28 1HG2 THR 28 -3.112 10.938 6.482 177 HG22 THR 28 2HG2 THR 28 -2.676 9.277 6.078 178 HG23 THR 28 3HG2 THR 28 -2.874 9.752 7.764 179 H LEU 29 H LEU 29 -2.973 7.622 4.280 180 HA LEU 29 HA LEU 29 -2.426 5.345 6.067 181 HB2 LEU 29 1HB LEU 29 -2.301 5.695 3.127 182 HB3 LEU 29 2HB LEU 29 -1.073 4.672 3.870 183 HG LEU 29 HG LEU 29 -2.973 3.381 3.005 184 HD11 LEU 29 1HD1 LEU 29 -3.313 2.009 4.943 185 HD12 LEU 29 2HD1 LEU 29 -2.871 3.337 6.016 186 HD13 LEU 29 3HD1 LEU 29 -1.656 2.613 4.962 187 HD21 LEU 29 1HD2 LEU 29 -4.473 5.412 4.428 188 HD22 LEU 29 2HD2 LEU 29 -4.980 3.782 4.870 189 HD23 LEU 29 3HD2 LEU 29 -5.001 4.285 3.179 190 H SER 30 H SER 30 -0.586 5.361 7.172 191 HA SER 30 HA SER 30 1.666 6.960 6.163 192 HB2 SER 30 1HB SER 30 2.078 7.942 8.280 193 HB3 SER 30 2HB SER 30 0.341 8.110 8.027 194 HG SER 30 HG SER 30 0.138 7.086 9.840 195 H TRP 31 H TRP 31 1.949 4.543 5.498 196 HA TRP 31 HA TRP 31 2.762 2.666 7.449 197 HB2 TRP 31 1HB TRP 31 3.701 1.405 5.552 198 HB3 TRP 31 2HB TRP 31 2.072 1.982 5.206 199 HD1 TRP 31 HD TRP 31 5.718 2.511 4.176 200 HE1 TRP 31 1HE TRP 31 5.766 3.819 1.960 201 HE3 TRP 31 3HE TRP 31 0.748 3.647 3.798 202 HZ2 TRP 31 2HZ TRP 31 3.938 5.156 0.275 203 HZ3 TRP 31 3HZ TRP 31 -0.021 4.944 1.854 204 HH2 TRP 31 HH TRP 31 1.543 5.683 0.130 205 H LYS 32 H LYS 32 5.149 1.657 6.889 206 HA LYS 32 HA LYS 32 7.232 3.569 6.587 207 HB2 LYS 32 1HB LYS 32 8.087 3.651 8.825 208 HB3 LYS 32 2HB LYS 32 6.396 4.135 8.877 209 HG2 LYS 32 1HG LYS 32 5.981 1.623 9.424 210 HG3 LYS 32 2HG LYS 32 7.686 1.641 9.882 211 HD2 LYS 32 1HD LYS 32 7.074 3.713 11.277 212 HD3 LYS 32 2HD LYS 32 5.401 3.194 11.057 213 HE2 LYS 32 1HE LYS 32 5.703 1.262 12.290 214 HE3 LYS 32 2HE LYS 32 7.446 1.243 12.027 215 HZ1 LYS 32 1HZ LYS 32 6.782 3.586 13.411 216 HZ2 LYS 32 2HZ LYS 32 7.714 2.280 13.947 217 HZ3 LYS 32 3HZ LYS 32 6.042 2.288 14.205 218 H GLN 33 H GLN 33 9.404 2.557 7.262 219 HA GLN 33 HA GLN 33 9.328 -0.271 6.474 220 HB2 GLN 33 1HB GLN 33 11.307 1.933 6.095 221 HB3 GLN 33 2HB GLN 33 11.894 0.277 6.155 222 HG2 GLN 33 1HG GLN 33 9.979 -0.107 4.391 223 HG3 GLN 33 2HG GLN 33 10.202 1.621 4.119 224 HE21 GLN 33 1HE2 GLN 33 11.396 -1.506 3.544 225 HE22 GLN 33 2HE2 GLN 33 12.821 -1.061 2.675 226 HA PRO 34 HA PRO 34 10.628 -1.514 10.494 227 HB2 PRO 34 1HB PRO 34 11.676 -3.936 9.857 228 HB3 PRO 34 2HB PRO 34 9.937 -3.622 9.896 229 HG2 PRO 34 1HG PRO 34 11.794 -3.707 7.550 230 HG3 PRO 34 2HG PRO 34 10.162 -4.383 7.711 231 HD2 PRO 34 1HD PRO 34 10.652 -2.047 6.431 232 HD3 PRO 34 2HD PRO 34 9.146 -2.351 7.321 233 HA PRO 35 HA PRO 35 14.884 -0.189 10.524 234 HB2 PRO 35 1HB PRO 35 15.229 -0.375 13.210 235 HB3 PRO 35 2HB PRO 35 14.350 0.954 12.444 236 HG2 PRO 35 1HG PRO 35 13.282 -1.508 13.770 237 HG3 PRO 35 2HG PRO 35 12.711 0.166 13.893 238 HD2 PRO 35 1HD PRO 35 11.506 -1.671 12.311 239 HD3 PRO 35 2HD PRO 35 11.563 0.055 11.898 240 H LEU 36 H LEU 36 13.659 -3.247 11.155 241 HA LEU 36 HA LEU 36 16.212 -4.391 11.982 242 HB2 LEU 36 1HB LEU 36 13.789 -6.019 11.363 243 HB3 LEU 36 2HB LEU 36 15.069 -6.318 12.537 244 HG LEU 36 HG LEU 36 13.158 -4.046 12.929 245 HD11 LEU 36 1HD1 LEU 36 12.674 -6.949 13.556 246 HD12 LEU 36 2HD1 LEU 36 11.674 -5.870 12.585 247 HD13 LEU 36 3HD1 LEU 36 11.803 -5.623 14.326 248 HD21 LEU 36 1HD2 LEU 36 14.889 -3.938 14.469 249 HD22 LEU 36 2HD2 LEU 36 14.996 -5.692 14.625 250 HD23 LEU 36 3HD2 LEU 36 13.641 -4.823 15.347 251 H SER 37 H SER 37 14.494 -3.734 9.142 252 HA SER 37 HA SER 37 15.732 -5.898 7.626 253 HB2 SER 37 1HB SER 37 14.256 -5.384 5.885 254 HB3 SER 37 2HB SER 37 13.300 -5.027 7.323 255 HG SER 37 HG SER 37 14.024 -3.382 5.336 256 H THR 38 H THR 38 17.374 -5.645 6.203 257 HA THR 38 HA THR 38 18.584 -2.964 6.045 258 HB THR 38 HB THR 38 20.727 -4.111 5.593 259 HG1 THR 38 1HG THR 38 20.793 -6.218 5.315 260 HG21 THR 38 1HG2 THR 38 19.870 -5.444 8.079 261 HG22 THR 38 2HG2 THR 38 19.550 -3.711 7.996 262 HG23 THR 38 3HG2 THR 38 21.194 -4.315 7.796 263 H VAL 39 H VAL 39 16.508 -3.637 4.294 264 HA VAL 39 HA VAL 39 17.958 -3.917 1.741 265 HB VAL 39 HB VAL 39 15.040 -4.558 2.012 266 HG11 VAL 39 1HG1 VAL 39 16.053 -6.232 0.157 267 HG12 VAL 39 2HG1 VAL 39 15.431 -4.621 -0.210 268 HG13 VAL 39 3HG1 VAL 39 17.165 -4.873 -0.005 269 HG21 VAL 39 1HG2 VAL 39 17.344 -6.166 2.945 270 HG22 VAL 39 2HG2 VAL 39 15.675 -6.138 3.515 271 HG23 VAL 39 3HG2 VAL 39 16.088 -7.014 2.041 272 HA PRO 40 HA PRO 40 16.530 0.259 1.140 273 HB2 PRO 40 1HB PRO 40 17.557 0.548 -1.356 274 HB3 PRO 40 2HB PRO 40 18.547 0.632 0.106 275 HG2 PRO 40 1HG PRO 40 18.151 -1.655 -1.784 276 HG3 PRO 40 2HG PRO 40 19.647 -1.073 -1.031 277 HD2 PRO 40 1HD PRO 40 18.292 -3.226 -0.105 278 HD3 PRO 40 2HD PRO 40 19.208 -2.143 0.963 279 H ALA 41 H ALA 41 14.597 0.944 0.472 280 HA ALA 41 HA ALA 41 13.134 -0.664 -1.491 281 HB1 ALA 41 1HB ALA 41 11.133 0.309 -0.626 282 HB2 ALA 41 2HB ALA 41 12.125 -0.189 0.745 283 HB3 ALA 41 3HB ALA 41 12.046 1.512 0.285 284 H ASP 42 H ASP 42 11.879 0.391 -3.151 285 HA ASP 42 HA ASP 42 13.175 2.855 -4.105 286 HB2 ASP 42 1HB ASP 42 13.246 0.657 -5.470 287 HB3 ASP 42 2HB ASP 42 11.557 1.003 -5.836 288 H GLY 43 H GLY 43 10.143 1.386 -3.260 289 HA2 GLY 43 1HA GLY 43 8.823 3.868 -3.001 290 HA3 GLY 43 2HA GLY 43 8.351 3.121 -4.520 291 H TYR 44 H TYR 44 6.230 3.333 -3.280 292 HA TYR 44 HA TYR 44 5.701 0.748 -2.013 293 HB2 TYR 44 1HB TYR 44 4.605 3.316 -0.866 294 HB3 TYR 44 2HB TYR 44 4.484 1.697 -0.187 295 HD1 TYR 44 2HD TYR 44 6.970 4.324 -1.076 296 HD2 TYR 44 1HD TYR 44 6.057 0.966 1.372 297 HE1 TYR 44 2HE TYR 44 9.015 4.726 0.230 298 HE2 TYR 44 1HE TYR 44 8.099 1.360 2.685 299 HH TYR 44 HH TYR 44 9.596 3.738 3.087 300 H ILE 45 H ILE 45 3.841 -0.169 -2.662 301 HA ILE 45 HA ILE 45 2.111 1.416 -4.434 302 HB ILE 45 HB ILE 45 2.611 -1.551 -4.281 303 HG12 ILE 45 1HG1 ILE 45 2.824 0.273 -6.670 304 HG13 ILE 45 2HG1 ILE 45 4.162 0.059 -5.546 305 HG21 ILE 45 1HG2 ILE 45 0.548 -1.916 -5.016 306 HG22 ILE 45 2HG2 ILE 45 0.220 -0.186 -5.087 307 HG23 ILE 45 3HG2 ILE 45 0.949 -1.003 -6.470 308 HD11 ILE 45 1HD1 ILE 45 4.298 -2.270 -6.060 309 HD12 ILE 45 2HD1 ILE 45 2.831 -2.187 -7.037 310 HD13 ILE 45 3HD1 ILE 45 4.295 -1.360 -7.570 311 H LEU 46 H LEU 46 0.086 1.854 -3.851 312 HA LEU 46 HA LEU 46 -0.958 0.614 -1.411 313 HB2 LEU 46 1HB LEU 46 -1.400 3.192 -2.816 314 HB3 LEU 46 2HB LEU 46 -2.743 2.523 -1.890 315 HG LEU 46 HG LEU 46 -0.015 3.057 -0.725 316 HD11 LEU 46 1HD1 LEU 46 -0.583 5.216 -1.024 317 HD12 LEU 46 2HD1 LEU 46 -1.601 4.924 0.386 318 HD13 LEU 46 3HD1 LEU 46 -2.296 4.852 -1.234 319 HD21 LEU 46 1HD2 LEU 46 -2.701 2.511 0.535 320 HD22 LEU 46 2HD2 LEU 46 -1.214 2.890 1.405 321 HD23 LEU 46 3HD2 LEU 46 -1.334 1.398 0.471 322 H GLU 47 H GLU 47 -3.122 -0.154 -1.305 323 HA GLU 47 HA GLU 47 -4.487 -0.614 -3.848 324 HB2 GLU 47 1HB GLU 47 -3.300 -2.707 -2.099 325 HB3 GLU 47 2HB GLU 47 -4.871 -3.044 -2.811 326 HG2 GLU 47 1HG GLU 47 -3.644 -2.233 -5.007 327 HG3 GLU 47 2HG GLU 47 -2.221 -2.752 -4.105 328 H LEU 48 H LEU 48 -6.700 -0.837 -3.683 329 HA LEU 48 HA LEU 48 -7.991 -1.127 -1.126 330 HB2 LEU 48 1HB LEU 48 -7.461 1.214 -1.005 331 HB3 LEU 48 2HB LEU 48 -8.107 1.486 -2.621 332 HG LEU 48 HG LEU 48 -10.366 0.909 -1.749 333 HD11 LEU 48 1HD1 LEU 48 -10.521 1.138 0.812 334 HD12 LEU 48 2HD1 LEU 48 -8.818 0.682 0.803 335 HD13 LEU 48 3HD1 LEU 48 -10.027 -0.411 0.129 336 HD21 LEU 48 1HD2 LEU 48 -8.771 3.234 -0.788 337 HD22 LEU 48 2HD2 LEU 48 -10.418 3.025 -0.192 338 HD23 LEU 48 3HD2 LEU 48 -10.120 3.180 -1.924 339 H ASP 49 H ASP 49 -10.003 -1.949 -1.339 340 HA ASP 49 HA ASP 49 -10.907 -2.581 -4.017 341 HB2 ASP 49 1HB ASP 49 -10.960 -4.312 -2.281 342 HB3 ASP 49 2HB ASP 49 -12.060 -3.326 -1.321 343 H ASP 50 H ASP 50 -13.335 -2.433 -4.429 344 HA ASP 50 HA ASP 50 -14.125 0.331 -3.972 345 HB2 ASP 50 1HB ASP 50 -14.264 -0.471 -6.251 346 HB3 ASP 50 2HB ASP 50 -15.272 -1.827 -5.753 347 H GLY 51 H GLY 51 -14.234 -1.369 -1.701 348 HA2 GLY 51 1HA GLY 51 -15.643 -2.008 -0.003 349 HA3 GLY 51 2HA GLY 51 -16.672 -0.709 -0.588 350 H ASN 52 H ASN 52 -15.968 -3.296 -2.753 351 HA ASN 52 HA ASN 52 -18.745 -4.212 -2.497 352 HB2 ASN 52 1HB ASN 52 -18.079 -3.383 -4.714 353 HB3 ASN 52 2HB ASN 52 -16.787 -4.578 -4.776 354 HD21 ASN 52 1HD2 ASN 52 -17.486 -6.864 -4.574 355 HD22 ASN 52 2HD2 ASN 52 -18.958 -7.322 -5.355 356 H GLY 53 H GLY 53 -15.455 -5.204 -2.136 357 HA2 GLY 53 1HA GLY 53 -14.767 -7.085 -0.906 358 HA3 GLY 53 2HA GLY 53 -16.364 -7.784 -1.123 359 H GLY 54 H GLY 54 -14.323 -6.489 -3.690 360 HA2 GLY 54 1HA GLY 54 -14.234 -9.206 -4.838 361 HA3 GLY 54 2HA GLY 54 -14.227 -7.723 -5.780 362 H GLN 55 H GLN 55 -12.328 -7.108 -6.557 363 HA GLN 55 HA GLN 55 -9.901 -8.221 -5.328 364 HB2 GLN 55 1HB GLN 55 -8.818 -7.811 -7.497 365 HB3 GLN 55 2HB GLN 55 -10.224 -8.855 -7.658 366 HG2 GLN 55 1HG GLN 55 -11.517 -6.766 -8.287 367 HG3 GLN 55 2HG GLN 55 -9.951 -5.970 -8.433 368 HE21 GLN 55 1HE2 GLN 55 -12.264 -7.204 -10.227 369 HE22 GLN 55 2HE2 GLN 55 -11.361 -7.868 -11.541 370 H PHE 56 H PHE 56 -7.972 -6.859 -5.307 371 HA PHE 56 HA PHE 56 -8.675 -4.101 -4.621 372 HB2 PHE 56 1HB PHE 56 -6.129 -5.640 -4.065 373 HB3 PHE 56 2HB PHE 56 -6.520 -4.034 -3.458 374 HD1 PHE 56 1HD PHE 56 -7.972 -7.471 -3.507 375 HD2 PHE 56 2HD PHE 56 -7.337 -3.874 -1.322 376 HE1 PHE 56 1HE PHE 56 -9.040 -8.484 -1.535 377 HE2 PHE 56 2HE PHE 56 -8.403 -4.881 0.653 378 HZ PHE 56 HZ PHE 56 -9.256 -7.189 0.549 379 H ARG 57 H ARG 57 -8.025 -2.401 -5.787 380 HA ARG 57 HA ARG 57 -6.182 -2.907 -8.028 381 HB2 ARG 57 1HB ARG 57 -7.291 -1.088 -9.210 382 HB3 ARG 57 2HB ARG 57 -8.463 -2.303 -8.721 383 HG2 ARG 57 1HG ARG 57 -8.710 -0.711 -6.628 384 HG3 ARG 57 2HG ARG 57 -8.112 0.487 -7.779 385 HD2 ARG 57 1HD ARG 57 -10.342 -1.342 -8.558 386 HD3 ARG 57 2HD ARG 57 -10.676 0.058 -7.540 387 HE ARG 57 HE ARG 57 -9.193 0.964 -9.702 388 HH11 ARG 57 2HH1 ARG 57 -12.286 -0.528 -9.130 389 HH12 ARG 57 1HH1 ARG 57 -13.042 0.209 -10.504 390 HH21 ARG 57 2HH2 ARG 57 -10.176 1.940 -11.513 391 HH22 ARG 57 1HH2 ARG 57 -11.841 1.612 -11.859 392 H GLU 58 H GLU 58 -4.578 -1.387 -8.506 393 HA GLU 58 HA GLU 58 -3.344 -0.158 -6.306 394 HB2 GLU 58 1HB GLU 58 -2.935 0.192 -9.275 395 HB3 GLU 58 2HB GLU 58 -1.917 0.966 -8.069 396 HG2 GLU 58 1HG GLU 58 -1.057 -1.078 -7.318 397 HG3 GLU 58 2HG GLU 58 -2.328 -2.002 -8.117 398 H VAL 59 H VAL 59 -3.758 1.691 -5.307 399 HA VAL 59 HA VAL 59 -5.472 3.666 -6.644 400 HB VAL 59 HB VAL 59 -5.660 4.621 -4.277 401 HG11 VAL 59 1HG1 VAL 59 -7.614 3.525 -4.089 402 HG12 VAL 59 2HG1 VAL 59 -7.163 2.818 -5.642 403 HG13 VAL 59 3HG1 VAL 59 -6.846 1.939 -4.146 404 HG21 VAL 59 1HG2 VAL 59 -4.822 3.526 -2.483 405 HG22 VAL 59 2HG2 VAL 59 -5.026 1.937 -3.220 406 HG23 VAL 59 3HG2 VAL 59 -3.651 2.946 -3.668 407 H TYR 60 H TYR 60 -2.308 3.175 -5.329 408 HA TYR 60 HA TYR 60 -1.360 5.620 -6.469 409 HB2 TYR 60 1HB TYR 60 -1.960 6.827 -4.612 410 HB3 TYR 60 2HB TYR 60 -1.854 5.437 -3.538 411 HD1 TYR 60 1HD TYR 60 0.384 4.670 -2.740 412 HD2 TYR 60 2HD TYR 60 -0.116 8.295 -4.910 413 HE1 TYR 60 1HE TYR 60 2.589 5.433 -1.962 414 HE2 TYR 60 2HE TYR 60 2.088 9.068 -4.139 415 HH TYR 60 HH TYR 60 4.383 7.127 -2.888 416 H VAL 61 H VAL 61 0.973 5.840 -6.299 417 HA VAL 61 HA VAL 61 2.552 3.785 -5.098 418 HB VAL 61 HB VAL 61 1.665 2.556 -7.062 419 HG11 VAL 61 1HG1 VAL 61 2.055 3.196 -9.264 420 HG12 VAL 61 2HG1 VAL 61 1.635 4.717 -8.473 421 HG13 VAL 61 3HG1 VAL 61 3.323 4.335 -8.811 422 HG21 VAL 61 1HG2 VAL 61 3.798 1.688 -7.813 423 HG22 VAL 61 2HG2 VAL 61 4.622 3.134 -7.230 424 HG23 VAL 61 3HG2 VAL 61 3.866 2.027 -6.084 425 H GLY 62 H GLY 62 4.418 4.713 -4.572 426 HA2 GLY 62 1HA GLY 62 6.004 6.217 -6.373 427 HA3 GLY 62 2HA GLY 62 5.140 7.303 -5.295 428 H LYS 63 H LYS 63 7.011 8.037 -4.289 429 HA LYS 63 HA LYS 63 8.287 6.070 -2.507 430 HB2 LYS 63 1HB LYS 63 10.352 7.527 -2.678 431 HB3 LYS 63 2HB LYS 63 9.948 6.598 -4.116 432 HG2 LYS 63 1HG LYS 63 8.933 9.384 -3.888 433 HG3 LYS 63 2HG LYS 63 10.636 9.124 -4.272 434 HD2 LYS 63 1HD LYS 63 10.139 8.020 -6.269 435 HD3 LYS 63 2HD LYS 63 8.473 7.696 -5.783 436 HE2 LYS 63 1HE LYS 63 9.479 10.496 -6.175 437 HE3 LYS 63 2HE LYS 63 8.893 9.532 -7.529 438 HZ1 LYS 63 1HZ LYS 63 7.232 9.812 -5.118 439 HZ2 LYS 63 2HZ LYS 63 6.758 9.524 -6.716 440 HZ3 LYS 63 3HZ LYS 63 7.272 11.068 -6.252 441 H GLU 64 H GLU 64 6.021 7.574 -1.823 442 HA GLU 64 HA GLU 64 7.017 9.752 -0.143 443 HB2 GLU 64 1HB GLU 64 4.172 8.862 -0.653 444 HB3 GLU 64 2HB GLU 64 4.666 10.311 0.212 445 HG2 GLU 64 1HG GLU 64 5.893 10.884 -2.011 446 HG3 GLU 64 2HG GLU 64 4.764 9.724 -2.707 447 H THR 65 H THR 65 5.760 9.878 2.052 448 HA THR 65 HA THR 65 6.042 7.247 3.349 449 HB THR 65 HB THR 65 7.695 8.943 4.086 450 HG1 THR 65 1HG THR 65 5.799 7.802 5.812 451 HG21 THR 65 1HG2 THR 65 5.556 10.422 5.538 452 HG22 THR 65 2HG2 THR 65 5.827 10.800 3.836 453 HG23 THR 65 3HG2 THR 65 7.142 10.973 4.999 454 H MET 66 H MET 66 3.791 9.480 2.383 455 HA MET 66 HA MET 66 1.761 8.288 4.072 456 HB2 MET 66 1HB MET 66 2.806 10.494 5.111 457 HB3 MET 66 2HB MET 66 1.707 11.268 3.977 458 HG2 MET 66 1HG MET 66 0.621 9.128 5.716 459 HG3 MET 66 2HG MET 66 0.999 10.683 6.452 460 HE1 MET 66 1HE MET 66 -0.355 13.167 5.221 461 HE2 MET 66 2HE MET 66 -1.909 12.708 5.917 462 HE3 MET 66 3HE MET 66 -0.412 12.302 6.758 463 H CYS 67 H CYS 67 -0.192 8.167 3.076 464 HA CYS 67 HA CYS 67 -0.692 9.804 0.710 465 HB2 CYS 67 1HB CYS 67 0.300 7.887 -0.299 466 HB3 CYS 67 2HB CYS 67 -0.607 6.789 0.734 467 HG CYS 67 HG CYS 67 -1.388 7.954 -2.228 468 H THR 68 H THR 68 -2.745 10.465 0.598 469 HA THR 68 HA THR 68 -4.763 9.017 2.183 470 HB THR 68 HB THR 68 -4.624 12.020 1.861 471 HG1 THR 68 1HG THR 68 -3.623 10.268 3.803 472 HG21 THR 68 1HG2 THR 68 -6.319 11.901 3.746 473 HG22 THR 68 2HG2 THR 68 -6.461 10.181 3.383 474 HG23 THR 68 3HG2 THR 68 -6.885 11.379 2.160 475 H VAL 69 H VAL 69 -6.634 8.566 1.177 476 HA VAL 69 HA VAL 69 -6.937 9.492 -1.588 477 HB VAL 69 HB VAL 69 -6.969 7.042 -1.136 478 HG11 VAL 69 1HG1 VAL 69 -8.516 6.005 0.186 479 HG12 VAL 69 2HG1 VAL 69 -8.365 7.534 1.054 480 HG13 VAL 69 3HG1 VAL 69 -9.723 7.271 -0.042 481 HG21 VAL 69 1HG2 VAL 69 -9.147 6.635 -2.399 482 HG22 VAL 69 2HG2 VAL 69 -9.375 8.383 -2.338 483 HG23 VAL 69 3HG2 VAL 69 -7.968 7.705 -3.157 484 H ASP 70 H ASP 70 -8.924 10.292 -2.364 485 HA ASP 70 HA ASP 70 -10.765 11.263 -0.277 486 HB2 ASP 70 1HB ASP 70 -9.808 13.262 -0.895 487 HB3 ASP 70 2HB ASP 70 -9.461 12.712 -2.533 488 H GLY 71 H GLY 71 -12.955 11.273 -0.753 489 HA2 GLY 71 1HA GLY 71 -14.884 10.879 -1.999 490 HA3 GLY 71 2HA GLY 71 -13.877 10.481 -3.384 491 H LEU 72 H LEU 72 -14.626 9.204 -0.139 492 HA LEU 72 HA LEU 72 -14.547 6.499 -1.298 493 HB2 LEU 72 1HB LEU 72 -14.096 7.455 1.521 494 HB3 LEU 72 2HB LEU 72 -14.261 5.755 1.083 495 HG LEU 72 HG LEU 72 -12.113 7.555 -0.024 496 HD11 LEU 72 1HD1 LEU 72 -11.994 5.670 2.325 497 HD12 LEU 72 2HD1 LEU 72 -11.843 7.426 2.380 498 HD13 LEU 72 3HD1 LEU 72 -10.606 6.459 1.576 499 HD21 LEU 72 1HD2 LEU 72 -11.215 5.688 -0.999 500 HD22 LEU 72 2HD2 LEU 72 -12.933 5.303 -1.109 501 HD23 LEU 72 3HD2 LEU 72 -11.948 4.588 0.168 502 H HIS 73 H HIS 73 -16.366 5.349 -1.376 503 HA HIS 73 HA HIS 73 -18.868 6.443 -0.765 504 HB2 HIS 73 1HB HIS 73 -17.884 3.726 -1.511 505 HB3 HIS 73 2HB HIS 73 -19.530 3.879 -0.903 506 HD1 HIS 73 1HD HIS 73 -21.263 4.553 -2.559 507 HD2 HIS 73 2HD HIS 73 -17.413 5.370 -3.892 508 HE1 HIS 73 1HE HIS 73 -21.525 5.328 -4.937 509 HE2 HIS 73 2HE HIS 73 -19.176 5.735 -5.750 510 H PHE 74 H PHE 74 -20.304 6.151 0.909 511 HA PHE 74 HA PHE 74 -19.118 5.172 3.404 512 HB2 PHE 74 1HB PHE 74 -21.215 6.359 4.376 513 HB3 PHE 74 2HB PHE 74 -19.888 7.344 3.769 514 HD1 PHE 74 1HD PHE 74 -20.083 8.438 1.552 515 HD2 PHE 74 2HD PHE 74 -23.359 6.436 3.388 516 HE1 PHE 74 1HE PHE 74 -21.636 9.604 0.042 517 HE2 PHE 74 2HE PHE 74 -24.918 7.597 1.880 518 HZ PHE 74 HZ PHE 74 -24.058 9.183 0.204 519 H ASN 75 H ASN 75 -20.927 4.329 4.980 520 HA ASN 75 HA ASN 75 -22.212 2.530 5.525 521 HB2 ASN 75 1HB ASN 75 -23.787 4.134 4.151 522 HB3 ASN 75 2HB ASN 75 -23.735 2.832 2.966 523 HD21 ASN 75 1HD2 ASN 75 -24.863 3.844 6.062 524 HD22 ASN 75 2HD2 ASN 75 -25.879 2.482 6.375 525 H SER 76 H SER 76 -19.831 1.872 4.233 526 HA SER 76 HA SER 76 -20.447 -0.777 3.333 527 HB2 SER 76 1HB SER 76 -19.645 1.331 1.373 528 HB3 SER 76 2HB SER 76 -18.996 -0.296 1.165 529 HG SER 76 HG SER 76 -21.748 0.374 1.378 530 H THR 77 H THR 77 -18.820 -2.128 3.821 531 HA THR 77 HA THR 77 -16.566 -1.158 5.251 532 HB THR 77 HB THR 77 -16.995 -3.942 4.150 533 HG1 THR 77 1HG THR 77 -18.718 -3.274 5.517 534 HG21 THR 77 1HG2 THR 77 -14.683 -3.235 4.991 535 HG22 THR 77 2HG2 THR 77 -15.394 -4.682 5.705 536 HG23 THR 77 3HG2 THR 77 -15.423 -3.157 6.589 537 H TYR 78 H TYR 78 -14.378 -1.203 4.713 538 HA TYR 78 HA TYR 78 -13.764 -1.564 1.856 539 HB2 TYR 78 1HB TYR 78 -13.267 0.773 3.620 540 HB3 TYR 78 2HB TYR 78 -11.982 0.337 2.500 541 HD1 TYR 78 2HD TYR 78 -12.307 0.532 0.094 542 HD2 TYR 78 1HD TYR 78 -15.393 1.619 2.814 543 HE1 TYR 78 2HE TYR 78 -13.480 1.711 -1.718 544 HE2 TYR 78 1HE TYR 78 -16.576 2.800 1.009 545 HH TYR 78 HH TYR 78 -15.264 3.772 -1.720 546 H ASN 79 H ASN 79 -11.396 -1.834 1.452 547 HA ASN 79 HA ASN 79 -9.876 -2.898 3.697 548 HB2 ASN 79 1HB ASN 79 -10.330 -4.567 1.218 549 HB3 ASN 79 2HB ASN 79 -9.458 -5.036 2.675 550 HD21 ASN 79 1HD2 ASN 79 -10.933 -4.601 4.720 551 HD22 ASN 79 2HD2 ASN 79 -12.496 -5.330 4.611 552 H ALA 80 H ALA 80 -8.006 -1.860 3.571 553 HA ALA 80 HA ALA 80 -6.818 -1.419 0.908 554 HB1 ALA 80 1HB ALA 80 -6.083 0.257 3.269 555 HB2 ALA 80 2HB ALA 80 -6.018 0.647 1.550 556 HB3 ALA 80 3HB ALA 80 -7.571 0.590 2.383 557 H ARG 81 H ARG 81 -4.399 -1.242 0.956 558 HA ARG 81 HA ARG 81 -2.909 -2.378 3.082 559 HB2 ARG 81 1HB ARG 81 -2.280 -4.499 2.034 560 HB3 ARG 81 2HB ARG 81 -4.009 -4.438 2.348 561 HG2 ARG 81 1HG ARG 81 -4.056 -3.553 -0.147 562 HG3 ARG 81 2HG ARG 81 -2.545 -4.460 -0.227 563 HD2 ARG 81 1HD ARG 81 -3.816 -6.403 0.781 564 HD3 ARG 81 2HD ARG 81 -5.286 -5.476 0.482 565 HE ARG 81 HE ARG 81 -4.110 -5.484 -1.935 566 HH11 ARG 81 2HH1 ARG 81 -4.805 -8.022 0.344 567 HH12 ARG 81 1HH1 ARG 81 -5.000 -9.240 -0.873 568 HH21 ARG 81 2HH2 ARG 81 -4.363 -7.078 -3.546 569 HH22 ARG 81 1HH2 ARG 81 -4.747 -8.702 -3.086 570 H VAL 82 H VAL 82 -0.867 -1.708 2.888 571 HA VAL 82 HA VAL 82 0.027 -0.774 0.241 572 HB VAL 82 HB VAL 82 -0.170 0.957 2.040 573 HG11 VAL 82 1HG1 VAL 82 0.937 0.853 4.006 574 HG12 VAL 82 2HG1 VAL 82 0.886 -0.883 3.696 575 HG13 VAL 82 3HG1 VAL 82 2.335 0.042 3.300 576 HG21 VAL 82 1HG2 VAL 82 2.534 0.397 0.837 577 HG22 VAL 82 2HG2 VAL 82 1.253 1.421 0.186 578 HG23 VAL 82 3HG2 VAL 82 2.119 1.910 1.644 579 H LYS 83 H LYS 83 2.089 -1.273 -0.489 580 HA LYS 83 HA LYS 83 3.700 -3.112 1.124 581 HB2 LYS 83 1HB LYS 83 4.036 -4.551 -0.904 582 HB3 LYS 83 2HB LYS 83 2.416 -4.614 -0.224 583 HG2 LYS 83 1HG LYS 83 1.488 -3.433 -1.985 584 HG3 LYS 83 2HG LYS 83 3.038 -2.740 -2.468 585 HD2 LYS 83 1HD LYS 83 3.775 -5.029 -3.130 586 HD3 LYS 83 2HD LYS 83 2.138 -5.601 -2.797 587 HE2 LYS 83 1HE LYS 83 1.262 -4.039 -4.471 588 HE3 LYS 83 2HE LYS 83 2.901 -3.482 -4.806 589 HZ1 LYS 83 1HZ LYS 83 3.322 -5.982 -5.264 590 HZ2 LYS 83 2HZ LYS 83 2.576 -5.031 -6.448 591 HZ3 LYS 83 3HZ LYS 83 1.645 -6.055 -5.474 592 H ALA 84 H ALA 84 5.845 -3.565 -0.072 593 HA ALA 84 HA ALA 84 6.804 -1.006 -1.169 594 HB1 ALA 84 1HB ALA 84 8.339 -1.118 0.431 595 HB2 ALA 84 2HB ALA 84 7.826 -2.744 0.883 596 HB3 ALA 84 3HB ALA 84 9.020 -2.520 -0.395 597 H PHE 85 H PHE 85 8.225 -1.003 -2.934 598 HA PHE 85 HA PHE 85 8.763 -3.518 -4.296 599 HB2 PHE 85 1HB PHE 85 7.570 -3.100 -6.230 600 HB3 PHE 85 2HB PHE 85 6.483 -2.426 -5.020 601 HD1 PHE 85 1HD PHE 85 8.884 -1.639 -7.677 602 HD2 PHE 85 2HD PHE 85 6.083 -0.070 -4.882 603 HE1 PHE 85 1HE PHE 85 8.937 0.527 -8.844 604 HE2 PHE 85 2HE PHE 85 6.131 2.097 -6.045 605 HZ PHE 85 HZ PHE 85 7.559 2.398 -8.029 606 H ASN 86 H ASN 86 10.500 -3.433 -5.710 607 HA ASN 86 HA ASN 86 11.744 -0.917 -6.376 608 HB2 ASN 86 1HB ASN 86 13.866 -1.364 -5.259 609 HB3 ASN 86 2HB ASN 86 12.564 -1.298 -4.076 610 HD21 ASN 86 1HD2 ASN 86 13.895 -2.472 -2.640 611 HD22 ASN 86 2HD2 ASN 86 14.088 -4.181 -2.805 612 H LYS 87 H LYS 87 14.114 -1.566 -7.290 613 HA LYS 87 HA LYS 87 13.872 -2.675 -9.711 614 HB2 LYS 87 1HB LYS 87 16.144 -2.612 -7.789 615 HB3 LYS 87 2HB LYS 87 16.323 -3.611 -9.226 616 HG2 LYS 87 1HG LYS 87 15.522 -0.719 -9.357 617 HG3 LYS 87 2HG LYS 87 17.205 -1.249 -9.370 618 HD2 LYS 87 1HD LYS 87 17.041 -2.170 -11.459 619 HD3 LYS 87 2HD LYS 87 15.321 -2.525 -11.285 620 HE2 LYS 87 1HE LYS 87 15.595 -0.776 -12.911 621 HE3 LYS 87 2HE LYS 87 14.852 -0.098 -11.464 622 HZ1 LYS 87 1HZ LYS 87 17.770 0.009 -11.718 623 HZ2 LYS 87 2HZ LYS 87 16.716 1.084 -10.947 624 HZ3 LYS 87 3HZ LYS 87 16.846 1.091 -12.633 625 H THR 88 H THR 88 14.695 -4.564 -6.807 626 HA THR 88 HA THR 88 14.963 -7.068 -7.826 627 HB THR 88 HB THR 88 13.359 -6.475 -5.333 628 HG1 THR 88 1HG THR 88 16.182 -6.759 -5.640 629 HG21 THR 88 1HG2 THR 88 13.256 -8.804 -5.960 630 HG22 THR 88 2HG2 THR 88 14.335 -8.634 -4.575 631 HG23 THR 88 3HG2 THR 88 15.003 -8.858 -6.191 632 H GLY 89 H GLY 89 11.832 -6.021 -6.469 633 HA2 GLY 89 1HA GLY 89 10.316 -6.723 -8.754 634 HA3 GLY 89 2HA GLY 89 10.317 -8.061 -7.614 635 H VAL 90 H VAL 90 8.947 -8.014 -5.926 636 HA VAL 90 HA VAL 90 7.816 -5.519 -4.989 637 HB VAL 90 HB VAL 90 5.461 -6.747 -5.235 638 HG11 VAL 90 1HG1 VAL 90 6.842 -5.053 -7.308 639 HG12 VAL 90 2HG1 VAL 90 5.111 -5.394 -7.310 640 HG13 VAL 90 3HG1 VAL 90 5.834 -4.506 -5.969 641 HG21 VAL 90 1HG2 VAL 90 6.272 -8.702 -6.375 642 HG22 VAL 90 2HG2 VAL 90 5.307 -7.751 -7.504 643 HG23 VAL 90 3HG2 VAL 90 7.067 -7.711 -7.599 644 H SER 91 H SER 91 6.281 -5.907 -3.147 645 HA SER 91 HA SER 91 7.041 -8.346 -1.677 646 HB2 SER 91 1HB SER 91 6.986 -5.487 -0.835 647 HB3 SER 91 2HB SER 91 6.522 -6.701 0.357 648 HG SER 91 HG SER 91 8.974 -6.037 -0.503 649 HA PRO 92 HA PRO 92 2.803 -9.253 -1.000 650 HB2 PRO 92 1HB PRO 92 2.802 -10.175 1.553 651 HB3 PRO 92 2HB PRO 92 3.486 -11.087 0.203 652 HG2 PRO 92 1HG PRO 92 4.877 -9.396 2.244 653 HG3 PRO 92 2HG PRO 92 5.340 -10.982 1.602 654 HD2 PRO 92 1HD PRO 92 6.469 -8.677 0.741 655 HD3 PRO 92 2HD PRO 92 6.241 -10.083 -0.319 656 H TYR 93 H TYR 93 0.937 -8.306 -0.321 657 HA TYR 93 HA TYR 93 0.963 -5.714 0.703 658 HB2 TYR 93 1HB TYR 93 -1.291 -7.730 0.661 659 HB3 TYR 93 2HB TYR 93 -1.491 -6.013 0.993 660 HD1 TYR 93 1HD TYR 93 -0.384 -4.446 -0.884 661 HD2 TYR 93 2HD TYR 93 -1.719 -8.441 -1.488 662 HE1 TYR 93 1HE TYR 93 -0.608 -4.001 -3.293 663 HE2 TYR 93 2HE TYR 93 -1.945 -8.007 -3.898 664 HH TYR 93 HH TYR 93 -0.689 -6.146 -5.559 665 H SER 94 H SER 94 0.222 -4.865 2.710 666 HA SER 94 HA SER 94 1.171 -6.369 4.972 667 HB2 SER 94 1HB SER 94 0.277 -4.223 6.186 668 HB3 SER 94 2HB SER 94 1.716 -4.118 5.173 669 HG SER 94 HG SER 94 0.595 -3.075 3.651 670 H LYS 95 H LYS 95 -0.100 -6.607 6.962 671 HA LYS 95 HA LYS 95 -2.248 -8.198 6.817 672 HB2 LYS 95 1HB LYS 95 -1.249 -7.769 8.945 673 HB3 LYS 95 2HB LYS 95 -1.694 -6.069 8.882 674 HG2 LYS 95 1HG LYS 95 -3.301 -6.830 10.294 675 HG3 LYS 95 2HG LYS 95 -4.132 -7.071 8.755 676 HD2 LYS 95 1HD LYS 95 -2.432 -9.283 9.780 677 HD3 LYS 95 2HD LYS 95 -3.975 -8.986 10.585 678 HE2 LYS 95 1HE LYS 95 -5.193 -9.358 8.596 679 HE3 LYS 95 2HE LYS 95 -3.740 -9.271 7.601 680 HZ1 LYS 95 1HZ LYS 95 -3.585 -11.458 7.777 681 HZ2 LYS 95 2HZ LYS 95 -4.898 -11.524 8.841 682 HZ3 LYS 95 3HZ LYS 95 -3.332 -11.304 9.443 683 H THR 96 H THR 96 -4.046 -8.003 5.659 684 HA THR 96 HA THR 96 -5.214 -5.928 4.466 685 HB THR 96 HB THR 96 -6.942 -7.874 5.990 686 HG1 THR 96 1HG THR 96 -6.445 -9.402 4.521 687 HG21 THR 96 1HG2 THR 96 -8.608 -7.246 4.618 688 HG22 THR 96 2HG2 THR 96 -7.553 -7.205 3.206 689 HG23 THR 96 3HG2 THR 96 -7.612 -5.825 4.302 690 H LEU 97 H LEU 97 -5.728 -3.947 5.104 691 HA LEU 97 HA LEU 97 -6.611 -3.520 7.870 692 HB2 LEU 97 1HB LEU 97 -4.762 -2.158 7.382 693 HB3 LEU 97 2HB LEU 97 -5.395 -1.725 5.795 694 HG LEU 97 HG LEU 97 -7.255 -0.513 7.089 695 HD11 LEU 97 1HD1 LEU 97 -5.305 -1.141 9.268 696 HD12 LEU 97 2HD1 LEU 97 -7.065 -1.235 9.280 697 HD13 LEU 97 3HD1 LEU 97 -6.266 0.337 9.323 698 HD21 LEU 97 1HD2 LEU 97 -4.821 0.965 7.700 699 HD22 LEU 97 2HD2 LEU 97 -6.136 1.354 6.590 700 HD23 LEU 97 3HD2 LEU 97 -4.828 0.289 6.072 701 H VAL 98 H VAL 98 -8.694 -3.208 8.253 702 HA VAL 98 HA VAL 98 -10.512 -2.679 6.047 703 HB VAL 98 HB VAL 98 -11.078 -3.250 8.960 704 HG11 VAL 98 1HG1 VAL 98 -13.383 -3.818 7.755 705 HG12 VAL 98 2HG1 VAL 98 -13.018 -2.211 8.387 706 HG13 VAL 98 3HG1 VAL 98 -12.820 -2.549 6.667 707 HG21 VAL 98 1HG2 VAL 98 -10.275 -4.957 6.879 708 HG22 VAL 98 2HG2 VAL 98 -10.882 -5.409 8.472 709 HG23 VAL 98 3HG2 VAL 98 -11.999 -5.244 7.117 710 H LEU 99 H LEU 99 -11.982 -0.953 5.986 711 HA LEU 99 HA LEU 99 -11.431 1.276 7.822 712 HB2 LEU 99 1HB LEU 99 -12.026 1.814 4.950 713 HB3 LEU 99 2HB LEU 99 -11.193 2.824 6.129 714 HG LEU 99 HG LEU 99 -9.943 0.294 5.116 715 HD11 LEU 99 1HD1 LEU 99 -10.703 2.331 3.420 716 HD12 LEU 99 2HD1 LEU 99 -9.436 1.141 3.121 717 HD13 LEU 99 3HD1 LEU 99 -9.025 2.714 3.804 718 HD21 LEU 99 1HD2 LEU 99 -7.967 2.084 5.494 719 HD22 LEU 99 2HD2 LEU 99 -8.556 0.995 6.751 720 HD23 LEU 99 3HD2 LEU 99 -9.139 2.659 6.681 721 H GLN 100 H GLN 100 -13.365 0.634 8.908 722 HA GLN 100 HA GLN 100 -15.873 0.382 7.675 723 HB2 GLN 100 1HB GLN 100 -14.984 0.995 10.473 724 HB3 GLN 100 2HB GLN 100 -16.690 1.066 10.054 725 HG2 GLN 100 1HG GLN 100 -16.414 -1.080 10.883 726 HG3 GLN 100 2HG GLN 100 -16.366 -1.300 9.134 727 HE21 GLN 100 1HE2 GLN 100 -15.357 -3.345 10.106 728 HE22 GLN 100 2HE2 GLN 100 -13.634 -3.341 10.232 729 H THR 101 H THR 101 -16.950 1.864 6.571 730 HA THR 101 HA THR 101 -16.472 4.698 7.097 731 HB THR 101 HB THR 101 -17.608 5.137 4.999 732 HG1 THR 101 1HG THR 101 -18.133 2.336 5.018 733 HG21 THR 101 1HG2 THR 101 -15.351 4.702 4.600 734 HG22 THR 101 2HG2 THR 101 -16.172 3.615 3.479 735 HG23 THR 101 3HG2 THR 101 -15.513 2.991 4.991 736 H SER 102 H SER 102 -17.929 6.027 8.000 737 HA SER 102 HA SER 102 -20.072 5.086 9.488 738 HB2 SER 102 1HB SER 102 -20.628 7.355 9.912 739 HB3 SER 102 2HB SER 102 -18.880 7.337 9.675 740 HG SER 102 HG SER 102 -19.119 8.549 7.977 741 H GLU 103 H GLU 103 -22.392 5.778 9.228 742 HA GLU 103 HA GLU 103 -23.353 4.815 6.694 743 HB2 GLU 103 1HB GLU 103 -25.545 4.897 7.687 744 HB3 GLU 103 2HB GLU 103 -24.423 4.228 8.863 745 HG2 GLU 103 1HG GLU 103 -24.290 6.431 9.952 746 HG3 GLU 103 2HG GLU 103 -25.479 7.045 8.805 747 H GLY 104 H GLY 104 -25.062 5.963 5.476 748 HA2 GLY 104 1HA GLY 104 -25.488 7.750 4.071 749 HA3 GLY 104 2HA GLY 104 -25.824 8.557 5.596 750 H SER 105 H SER 105 -25.131 10.516 4.546 751 HA SER 105 HA SER 105 -22.231 10.855 4.739 752 HB2 SER 105 1HB SER 105 -22.800 10.482 2.335 753 HB3 SER 105 2HB SER 105 -23.842 11.904 2.400 754 HG SER 105 HG SER 105 -21.378 11.949 1.773 755 H GLY 106 H GLY 106 -21.672 12.656 5.800 756 HA2 GLY 106 1HA GLY 106 -21.863 14.639 6.939 757 HA3 GLY 106 2HA GLY 106 -22.968 15.133 5.664 758 HA PRO 107 HA PRO 107 -25.168 13.655 9.752 759 HB2 PRO 107 1HB PRO 107 -24.406 15.393 11.694 760 HB3 PRO 107 2HB PRO 107 -23.599 13.844 11.421 761 HG2 PRO 107 1HG PRO 107 -22.790 16.585 10.529 762 HG3 PRO 107 2HG PRO 107 -21.789 15.287 11.207 763 HD2 PRO 107 1HD PRO 107 -21.894 15.810 8.552 764 HD3 PRO 107 2HD PRO 107 -21.648 14.173 9.194 765 H SER 108 H SER 108 -24.335 16.855 8.591 766 HA SER 108 HA SER 108 -26.313 18.428 9.664 767 HB2 SER 108 1HB SER 108 -26.005 19.912 7.824 768 HB3 SER 108 2HB SER 108 -24.447 19.128 8.084 769 HG SER 108 HG SER 108 -24.632 18.713 6.023 770 H SER 109 H SER 109 -28.400 17.949 9.840 771 HA SER 109 HA SER 109 -29.750 16.444 7.746 772 HB2 SER 109 1HB SER 109 -30.294 15.667 9.914 773 HB3 SER 109 2HB SER 109 -30.535 17.303 10.528 774 HG SER 109 HG SER 109 -32.390 15.739 9.690 775 H GLY 110 H GLY 110 -30.037 19.580 9.390 776 HA2 GLY 110 1HA GLY 110 -30.999 20.837 7.002 777 HA3 GLY 110 2HA GLY 110 -32.278 20.608 8.186 Start of MODEL 18 1 H1 GLY 1 H GLY 1 8.839 -20.852 -3.144 2 HA2 GLY 1 1HA GLY 1 10.578 -22.025 -1.344 3 HA3 GLY 1 2HA GLY 1 10.678 -22.227 -3.087 4 H SER 2 H SER 2 12.719 -21.892 -0.865 5 HA SER 2 HA SER 2 14.063 -19.440 -1.701 6 HB2 SER 2 1HB SER 2 15.701 -20.059 0.106 7 HB3 SER 2 2HB SER 2 14.049 -19.820 0.675 8 HG SER 2 HG SER 2 14.186 -21.761 1.441 9 H SER 3 H SER 3 15.151 -19.614 -3.554 10 HA SER 3 HA SER 3 16.841 -21.996 -3.951 11 HB2 SER 3 1HB SER 3 15.304 -20.325 -5.932 12 HB3 SER 3 2HB SER 3 16.655 -21.340 -6.436 13 HG SER 3 HG SER 3 15.547 -23.134 -5.620 14 H GLY 4 H GLY 4 17.496 -19.499 -2.543 15 HA2 GLY 4 1HA GLY 4 20.045 -19.041 -2.927 16 HA3 GLY 4 2HA GLY 4 19.420 -18.236 -4.359 17 H SER 5 H SER 5 20.908 -17.021 -2.235 18 HA SER 5 HA SER 5 18.874 -15.140 -1.230 19 HB2 SER 5 1HB SER 5 19.624 -16.275 0.706 20 HB3 SER 5 2HB SER 5 21.302 -16.261 0.165 21 HG SER 5 HG SER 5 20.045 -13.799 0.509 22 H SER 6 H SER 6 19.075 -13.251 -2.214 23 HA SER 6 HA SER 6 21.448 -11.738 -2.204 24 HB2 SER 6 1HB SER 6 22.063 -13.384 -3.986 25 HB3 SER 6 2HB SER 6 20.698 -12.799 -4.938 26 HG SER 6 HG SER 6 22.542 -10.933 -3.971 27 H GLY 7 H GLY 7 20.766 -9.708 -2.093 28 HA2 GLY 7 1HA GLY 7 19.256 -7.952 -2.108 29 HA3 GLY 7 2HA GLY 7 19.314 -8.248 -3.839 30 HA PRO 8 HA PRO 8 15.473 -10.726 -2.298 31 HB2 PRO 8 1HB PRO 8 14.835 -10.529 0.334 32 HB3 PRO 8 2HB PRO 8 15.920 -11.772 -0.301 33 HG2 PRO 8 1HG PRO 8 16.588 -9.187 1.053 34 HG3 PRO 8 2HG PRO 8 17.312 -10.790 1.282 35 HD2 PRO 8 1HD PRO 8 18.479 -8.866 -0.224 36 HD3 PRO 8 2HD PRO 8 18.642 -10.596 -0.590 37 H VAL 9 H VAL 9 13.288 -10.053 -2.061 38 HA VAL 9 HA VAL 9 12.710 -7.442 -2.713 39 HB VAL 9 HB VAL 9 10.365 -7.947 -1.864 40 HG11 VAL 9 1HG1 VAL 9 10.671 -8.295 -4.135 41 HG12 VAL 9 2HG1 VAL 9 11.830 -9.602 -3.882 42 HG13 VAL 9 3HG1 VAL 9 10.114 -9.872 -3.577 43 HG21 VAL 9 1HG2 VAL 9 10.939 -9.511 -0.106 44 HG22 VAL 9 2HG2 VAL 9 9.911 -10.304 -1.300 45 HG23 VAL 9 3HG2 VAL 9 11.647 -10.616 -1.285 46 HA PRO 10 HA PRO 10 12.916 -5.017 0.941 47 HB2 PRO 10 1HB PRO 10 10.911 -3.239 0.506 48 HB3 PRO 10 2HB PRO 10 12.439 -3.200 -0.382 49 HG2 PRO 10 1HG PRO 10 9.794 -4.332 -1.210 50 HG3 PRO 10 2HG PRO 10 10.943 -3.367 -2.155 51 HD2 PRO 10 1HD PRO 10 10.765 -6.058 -2.389 52 HD3 PRO 10 2HD PRO 10 12.293 -5.180 -2.602 53 H ALA 11 H ALA 11 12.294 -5.524 2.937 54 HA ALA 11 HA ALA 11 10.301 -7.172 3.731 55 HB1 ALA 11 1HB ALA 11 10.395 -5.304 5.795 56 HB2 ALA 11 2HB ALA 11 11.376 -6.761 5.631 57 HB3 ALA 11 3HB ALA 11 11.980 -5.218 5.026 58 H THR 12 H THR 12 8.176 -7.006 4.442 59 HA THR 12 HA THR 12 6.561 -5.103 3.075 60 HB THR 12 HB THR 12 5.817 -7.099 5.222 61 HG1 THR 12 1HG THR 12 5.653 -7.166 2.376 62 HG21 THR 12 1HG2 THR 12 3.821 -6.038 3.298 63 HG22 THR 12 2HG2 THR 12 4.302 -4.985 4.628 64 HG23 THR 12 3HG2 THR 12 3.613 -6.573 4.965 65 HA PRO 13 HA PRO 13 6.555 -1.855 6.069 66 HB2 PRO 13 1HB PRO 13 4.383 -0.510 5.150 67 HB3 PRO 13 2HB PRO 13 5.951 -0.475 4.334 68 HG2 PRO 13 1HG PRO 13 3.524 -2.112 3.706 69 HG3 PRO 13 2HG PRO 13 4.608 -1.248 2.600 70 HD2 PRO 13 1HD PRO 13 4.773 -3.919 3.010 71 HD3 PRO 13 2HD PRO 13 6.194 -2.919 2.648 72 H ILE 14 H ILE 14 5.378 -1.128 7.875 73 HA ILE 14 HA ILE 14 3.299 -2.993 8.757 74 HB ILE 14 HB ILE 14 4.638 -0.920 10.479 75 HG12 ILE 14 1HG1 ILE 14 5.945 -3.190 11.139 76 HG13 ILE 14 2HG1 ILE 14 5.710 -3.472 9.417 77 HG21 ILE 14 1HG2 ILE 14 3.566 -3.606 11.282 78 HG22 ILE 14 2HG2 ILE 14 3.894 -2.201 12.294 79 HG23 ILE 14 3HG2 ILE 14 2.531 -2.182 11.175 80 HD11 ILE 14 1HD1 ILE 14 6.643 -0.999 9.271 81 HD12 ILE 14 2HD1 ILE 14 7.381 -1.464 10.804 82 HD13 ILE 14 3HD1 ILE 14 7.704 -2.405 9.348 83 H LEU 15 H LEU 15 1.268 -2.384 8.446 84 HA LEU 15 HA LEU 15 0.451 0.230 7.810 85 HB2 LEU 15 1HB LEU 15 -0.902 -2.320 8.487 86 HB3 LEU 15 2HB LEU 15 -1.855 -0.842 8.602 87 HG LEU 15 HG LEU 15 -0.374 -1.653 6.108 88 HD11 LEU 15 1HD1 LEU 15 -2.457 -3.070 7.175 89 HD12 LEU 15 2HD1 LEU 15 -2.029 -3.006 5.466 90 HD13 LEU 15 3HD1 LEU 15 -3.277 -1.936 6.103 91 HD21 LEU 15 1HD2 LEU 15 -0.889 0.464 5.597 92 HD22 LEU 15 2HD2 LEU 15 -2.031 0.609 6.933 93 HD23 LEU 15 3HD2 LEU 15 -2.539 -0.133 5.415 94 H GLN 16 H GLN 16 0.928 1.798 9.265 95 HA GLN 16 HA GLN 16 -0.232 1.507 11.958 96 HB2 GLN 16 1HB GLN 16 2.177 3.173 11.219 97 HB3 GLN 16 2HB GLN 16 1.535 2.907 12.835 98 HG2 GLN 16 1HG GLN 16 1.972 0.377 12.185 99 HG3 GLN 16 2HG GLN 16 3.159 1.124 11.117 100 HE21 GLN 16 1HE2 GLN 16 4.301 3.051 12.400 101 HE22 GLN 16 2HE2 GLN 16 4.992 2.551 13.902 102 H LEU 17 H LEU 17 -1.975 2.371 10.202 103 HA LEU 17 HA LEU 17 -2.209 4.836 9.219 104 HB2 LEU 17 1HB LEU 17 -3.992 2.951 9.708 105 HB3 LEU 17 2HB LEU 17 -4.415 4.021 11.044 106 HG LEU 17 HG LEU 17 -4.483 5.807 9.068 107 HD11 LEU 17 1HD1 LEU 17 -4.255 4.865 7.066 108 HD12 LEU 17 2HD1 LEU 17 -5.839 4.137 7.330 109 HD13 LEU 17 3HD1 LEU 17 -4.376 3.237 7.734 110 HD21 LEU 17 1HD2 LEU 17 -6.494 3.970 10.227 111 HD22 LEU 17 2HD2 LEU 17 -6.978 4.893 8.804 112 HD23 LEU 17 3HD2 LEU 17 -6.416 5.732 10.251 113 H GLU 18 H GLU 18 -2.816 6.921 9.930 114 HA GLU 18 HA GLU 18 -2.180 7.446 12.759 115 HB2 GLU 18 1HB GLU 18 -0.471 8.358 11.295 116 HB3 GLU 18 2HB GLU 18 -1.691 9.181 10.334 117 HG2 GLU 18 1HG GLU 18 -2.227 10.642 12.158 118 HG3 GLU 18 2HG GLU 18 -1.159 9.748 13.239 119 H GLU 19 H GLU 19 -3.935 8.878 10.002 120 HA GLU 19 HA GLU 19 -5.973 9.812 11.913 121 HB2 GLU 19 1HB GLU 19 -4.862 11.667 10.815 122 HB3 GLU 19 2HB GLU 19 -5.166 10.958 9.236 123 HG2 GLU 19 1HG GLU 19 -7.542 11.284 9.501 124 HG3 GLU 19 2HG GLU 19 -7.303 11.887 11.140 125 H CYS 20 H CYS 20 -7.686 8.519 11.886 126 HA CYS 20 HA CYS 20 -8.343 6.851 9.665 127 HB2 CYS 20 1HB CYS 20 -9.876 7.493 12.192 128 HB3 CYS 20 2HB CYS 20 -10.350 6.264 11.026 129 HG CYS 20 HG CYS 20 -8.742 5.669 13.613 130 H CYS 21 H CYS 21 -10.374 6.868 8.506 131 HA CYS 21 HA CYS 21 -11.113 9.563 7.729 132 HB2 CYS 21 1HB CYS 21 -12.400 8.415 5.931 133 HB3 CYS 21 2HB CYS 21 -10.693 7.987 5.947 134 HG CYS 21 HG CYS 21 -10.956 5.452 6.708 135 H THR 22 H THR 22 -11.930 8.910 10.323 136 HA THR 22 HA THR 22 -14.712 8.142 10.272 137 HB THR 22 HB THR 22 -14.629 8.772 12.722 138 HG1 THR 22 1HG THR 22 -12.628 9.261 13.592 139 HG21 THR 22 1HG2 THR 22 -13.535 6.551 11.354 140 HG22 THR 22 2HG2 THR 22 -14.170 6.611 12.998 141 HG23 THR 22 3HG2 THR 22 -12.459 6.915 12.702 142 H HIS 23 H HIS 23 -12.920 11.112 11.091 143 HA HIS 23 HA HIS 23 -15.182 12.733 11.484 144 HB2 HIS 23 1HB HIS 23 -12.674 13.153 12.064 145 HB3 HIS 23 2HB HIS 23 -12.593 13.839 10.443 146 HD1 HIS 23 1HD HIS 23 -15.200 14.237 13.193 147 HD2 HIS 23 2HD HIS 23 -12.713 16.514 10.767 148 HE1 HIS 23 1HE HIS 23 -15.742 16.632 13.735 149 HE2 HIS 23 2HE HIS 23 -14.285 17.991 12.194 150 H ASN 24 H ASN 24 -12.970 12.666 8.682 151 HA ASN 24 HA ASN 24 -15.191 13.675 7.032 152 HB2 ASN 24 1HB ASN 24 -12.269 13.868 6.314 153 HB3 ASN 24 2HB ASN 24 -13.620 14.772 5.636 154 HD21 ASN 24 1HD2 ASN 24 -11.045 15.493 7.064 155 HD22 ASN 24 2HD2 ASN 24 -11.545 16.615 8.279 156 H ASN 25 H ASN 25 -14.613 13.112 4.571 157 HA ASN 25 HA ASN 25 -14.618 10.203 4.483 158 HB2 ASN 25 1HB ASN 25 -15.463 10.438 2.228 159 HB3 ASN 25 2HB ASN 25 -16.363 11.521 3.287 160 HD21 ASN 25 1HD2 ASN 25 -16.533 12.038 0.708 161 HD22 ASN 25 2HD2 ASN 25 -15.590 13.417 0.267 162 H SER 26 H SER 26 -12.151 10.907 5.154 163 HA SER 26 HA SER 26 -10.610 10.223 2.774 164 HB2 SER 26 1HB SER 26 -8.904 11.947 3.262 165 HB3 SER 26 2HB SER 26 -10.466 12.662 2.861 166 HG SER 26 HG SER 26 -9.326 12.340 5.438 167 H ALA 27 H ALA 27 -9.266 8.613 3.222 168 HA ALA 27 HA ALA 27 -8.615 8.074 6.037 169 HB1 ALA 27 1HB ALA 27 -9.315 6.395 3.777 170 HB2 ALA 27 2HB ALA 27 -7.844 5.852 4.585 171 HB3 ALA 27 3HB ALA 27 -9.338 6.035 5.504 172 H THR 28 H THR 28 -6.720 8.945 6.587 173 HA THR 28 HA THR 28 -4.583 9.274 4.674 174 HB THR 28 HB THR 28 -4.480 9.769 7.653 175 HG1 THR 28 1HG THR 28 -6.066 11.112 6.964 176 HG21 THR 28 1HG2 THR 28 -2.941 11.521 5.934 177 HG22 THR 28 2HG2 THR 28 -2.484 9.832 5.716 178 HG23 THR 28 3HG2 THR 28 -2.419 10.563 7.319 179 H LEU 29 H LEU 29 -2.975 7.895 4.304 180 HA LEU 29 HA LEU 29 -2.600 5.660 6.181 181 HB2 LEU 29 1HB LEU 29 -2.470 5.909 3.236 182 HB3 LEU 29 2HB LEU 29 -1.302 4.827 3.991 183 HG LEU 29 HG LEU 29 -3.413 3.751 3.139 184 HD11 LEU 29 1HD1 LEU 29 -2.770 3.481 6.072 185 HD12 LEU 29 2HD1 LEU 29 -1.970 2.642 4.744 186 HD13 LEU 29 3HD1 LEU 29 -3.663 2.308 5.105 187 HD21 LEU 29 1HD2 LEU 29 -4.545 5.679 5.042 188 HD22 LEU 29 2HD2 LEU 29 -5.182 4.039 5.178 189 HD23 LEU 29 3HD2 LEU 29 -5.277 4.898 3.640 190 H SER 30 H SER 30 -0.759 5.529 7.280 191 HA SER 30 HA SER 30 1.617 6.917 6.242 192 HB2 SER 30 1HB SER 30 2.145 7.805 8.411 193 HB3 SER 30 2HB SER 30 0.475 8.245 8.055 194 HG SER 30 HG SER 30 -0.147 6.404 9.328 195 H TRP 31 H TRP 31 1.820 4.547 5.563 196 HA TRP 31 HA TRP 31 2.421 2.581 7.515 197 HB2 TRP 31 1HB TRP 31 3.367 1.305 5.603 198 HB3 TRP 31 2HB TRP 31 1.750 1.924 5.282 199 HD1 TRP 31 HD TRP 31 5.355 2.228 4.126 200 HE1 TRP 31 1HE TRP 31 5.429 3.630 1.968 201 HE3 TRP 31 3HE TRP 31 0.511 3.859 4.051 202 HZ2 TRP 31 2HZ TRP 31 3.667 5.217 0.438 203 HZ3 TRP 31 3HZ TRP 31 -0.215 5.317 2.206 204 HH2 TRP 31 HH TRP 31 1.332 5.981 0.438 205 H LYS 32 H LYS 32 4.737 1.409 7.034 206 HA LYS 32 HA LYS 32 6.975 3.127 6.761 207 HB2 LYS 32 1HB LYS 32 7.772 2.968 9.127 208 HB3 LYS 32 2HB LYS 32 6.363 3.998 8.910 209 HG2 LYS 32 1HG LYS 32 5.677 2.850 10.735 210 HG3 LYS 32 2HG LYS 32 5.098 1.739 9.491 211 HD2 LYS 32 1HD LYS 32 6.215 0.248 10.801 212 HD3 LYS 32 2HD LYS 32 7.556 0.762 9.774 213 HE2 LYS 32 1HE LYS 32 7.778 2.619 11.661 214 HE3 LYS 32 2HE LYS 32 6.994 1.370 12.627 215 HZ1 LYS 32 1HZ LYS 32 9.687 1.539 11.821 216 HZ2 LYS 32 2HZ LYS 32 9.010 0.131 11.173 217 HZ3 LYS 32 3HZ LYS 32 8.958 0.404 12.842 218 H GLN 33 H GLN 33 9.032 1.997 7.319 219 HA GLN 33 HA GLN 33 8.760 -0.836 6.678 220 HB2 GLN 33 1HB GLN 33 11.064 1.098 6.584 221 HB3 GLN 33 2HB GLN 33 11.303 -0.635 6.408 222 HG2 GLN 33 1HG GLN 33 9.303 0.729 4.678 223 HG3 GLN 33 2HG GLN 33 11.019 0.907 4.317 224 HE21 GLN 33 1HE2 GLN 33 11.568 -0.407 2.742 225 HE22 GLN 33 2HE2 GLN 33 11.058 -2.048 2.556 226 HA PRO 34 HA PRO 34 9.641 -2.158 10.787 227 HB2 PRO 34 1HB PRO 34 10.502 -4.673 10.231 228 HB3 PRO 34 2HB PRO 34 8.801 -4.198 10.144 229 HG2 PRO 34 1HG PRO 34 10.806 -4.476 7.938 230 HG3 PRO 34 2HG PRO 34 9.111 -4.996 7.982 231 HD2 PRO 34 1HD PRO 34 9.908 -2.727 6.737 232 HD3 PRO 34 2HD PRO 34 8.320 -2.882 7.515 233 HA PRO 35 HA PRO 35 13.985 -1.245 11.143 234 HB2 PRO 35 1HB PRO 35 14.122 -1.493 13.843 235 HB3 PRO 35 2HB PRO 35 13.422 -0.081 13.043 236 HG2 PRO 35 1HG PRO 35 12.047 -2.452 14.246 237 HG3 PRO 35 2HG PRO 35 11.621 -0.734 14.360 238 HD2 PRO 35 1HD PRO 35 10.370 -2.435 12.665 239 HD3 PRO 35 2HD PRO 35 10.611 -0.717 12.288 240 H LEU 36 H LEU 36 12.471 -4.186 11.544 241 HA LEU 36 HA LEU 36 14.803 -5.579 12.601 242 HB2 LEU 36 1HB LEU 36 12.346 -6.959 11.615 243 HB3 LEU 36 2HB LEU 36 13.446 -7.424 12.911 244 HG LEU 36 HG LEU 36 11.771 -4.980 13.253 245 HD11 LEU 36 1HD1 LEU 36 9.899 -6.145 12.891 246 HD12 LEU 36 2HD1 LEU 36 10.264 -6.938 14.423 247 HD13 LEU 36 3HD1 LEU 36 10.746 -7.692 12.904 248 HD21 LEU 36 1HD2 LEU 36 13.178 -5.248 15.052 249 HD22 LEU 36 2HD2 LEU 36 13.129 -7.009 14.969 250 HD23 LEU 36 3HD2 LEU 36 11.747 -6.116 15.608 251 H SER 37 H SER 37 13.740 -4.514 9.645 252 HA SER 37 HA SER 37 15.153 -6.676 8.225 253 HB2 SER 37 1HB SER 37 12.725 -5.087 7.533 254 HB3 SER 37 2HB SER 37 13.796 -5.571 6.218 255 HG SER 37 HG SER 37 12.200 -7.129 7.888 256 H THR 38 H THR 38 16.958 -6.163 7.172 257 HA THR 38 HA THR 38 17.705 -3.333 7.003 258 HB THR 38 HB THR 38 19.616 -5.547 6.369 259 HG1 THR 38 1HG THR 38 18.466 -4.982 8.861 260 HG21 THR 38 1HG2 THR 38 21.212 -3.983 6.730 261 HG22 THR 38 2HG2 THR 38 20.339 -3.251 8.076 262 HG23 THR 38 3HG2 THR 38 19.889 -2.861 6.417 263 H VAL 39 H VAL 39 15.821 -4.182 5.135 264 HA VAL 39 HA VAL 39 17.401 -4.169 2.645 265 HB VAL 39 HB VAL 39 14.601 -5.257 2.838 266 HG11 VAL 39 1HG1 VAL 39 15.791 -6.570 0.819 267 HG12 VAL 39 2HG1 VAL 39 14.938 -5.039 0.612 268 HG13 VAL 39 3HG1 VAL 39 16.695 -5.057 0.767 269 HG21 VAL 39 1HG2 VAL 39 15.806 -6.648 4.325 270 HG22 VAL 39 2HG2 VAL 39 15.725 -7.524 2.797 271 HG23 VAL 39 3HG2 VAL 39 17.211 -6.695 3.260 272 HA PRO 40 HA PRO 40 15.334 -0.177 2.391 273 HB2 PRO 40 1HB PRO 40 16.835 0.717 0.313 274 HB3 PRO 40 2HB PRO 40 17.404 0.734 1.986 275 HG2 PRO 40 1HG PRO 40 17.989 -1.233 -0.194 276 HG3 PRO 40 2HG PRO 40 19.094 -0.520 0.995 277 HD2 PRO 40 1HD PRO 40 18.072 -3.013 1.266 278 HD3 PRO 40 2HD PRO 40 18.443 -1.976 2.659 279 H ALA 41 H ALA 41 13.861 0.736 0.955 280 HA ALA 41 HA ALA 41 13.145 -0.955 -1.351 281 HB1 ALA 41 1HB ALA 41 11.398 -1.091 0.245 282 HB2 ALA 41 2HB ALA 41 11.400 0.654 0.498 283 HB3 ALA 41 3HB ALA 41 10.832 -0.013 -1.032 284 H ASP 42 H ASP 42 12.111 0.176 -3.164 285 HA ASP 42 HA ASP 42 13.423 2.754 -3.629 286 HB2 ASP 42 1HB ASP 42 13.558 0.660 -5.203 287 HB3 ASP 42 2HB ASP 42 11.984 1.219 -5.763 288 H GLY 43 H GLY 43 10.288 1.266 -3.349 289 HA2 GLY 43 1HA GLY 43 9.022 3.828 -3.103 290 HA3 GLY 43 2HA GLY 43 8.603 3.021 -4.607 291 H TYR 44 H TYR 44 6.448 3.356 -3.399 292 HA TYR 44 HA TYR 44 5.806 0.806 -2.117 293 HB2 TYR 44 1HB TYR 44 5.008 3.498 -0.991 294 HB3 TYR 44 2HB TYR 44 4.442 1.941 -0.399 295 HD1 TYR 44 2HD TYR 44 7.505 3.991 -0.863 296 HD2 TYR 44 1HD TYR 44 5.677 0.752 1.203 297 HE1 TYR 44 2HE TYR 44 9.442 3.869 0.648 298 HE2 TYR 44 1HE TYR 44 7.608 0.622 2.720 299 HH TYR 44 HH TYR 44 10.288 2.933 2.485 300 H ILE 45 H ILE 45 3.795 0.026 -2.593 301 HA ILE 45 HA ILE 45 2.116 1.701 -4.344 302 HB ILE 45 HB ILE 45 2.529 -1.287 -4.508 303 HG12 ILE 45 1HG1 ILE 45 3.175 0.720 -6.651 304 HG13 ILE 45 2HG1 ILE 45 4.334 0.368 -5.374 305 HG21 ILE 45 1HG2 ILE 45 0.255 0.066 -5.153 306 HG22 ILE 45 2HG2 ILE 45 1.128 0.082 -6.684 307 HG23 ILE 45 3HG2 ILE 45 0.771 -1.451 -5.889 308 HD11 ILE 45 1HD1 ILE 45 4.728 -1.753 -6.133 309 HD12 ILE 45 2HD1 ILE 45 3.150 -1.887 -6.909 310 HD13 ILE 45 3HD1 ILE 45 4.415 -0.906 -7.648 311 H LEU 46 H LEU 46 0.055 1.962 -3.757 312 HA LEU 46 HA LEU 46 -0.917 0.444 -1.445 313 HB2 LEU 46 1HB LEU 46 -1.461 3.139 -2.563 314 HB3 LEU 46 2HB LEU 46 -2.776 2.324 -1.719 315 HG LEU 46 HG LEU 46 -0.069 2.812 -0.488 316 HD11 LEU 46 1HD1 LEU 46 -1.580 4.855 -1.209 317 HD12 LEU 46 2HD1 LEU 46 -0.736 4.828 0.338 318 HD13 LEU 46 3HD1 LEU 46 -2.450 4.421 0.262 319 HD21 LEU 46 1HD2 LEU 46 -2.721 2.245 0.821 320 HD22 LEU 46 2HD2 LEU 46 -1.124 2.265 1.570 321 HD23 LEU 46 3HD2 LEU 46 -1.544 0.992 0.423 322 H GLU 47 H GLU 47 -3.125 -0.307 -1.411 323 HA GLU 47 HA GLU 47 -4.448 -0.590 -3.995 324 HB2 GLU 47 1HB GLU 47 -3.268 -2.828 -2.409 325 HB3 GLU 47 2HB GLU 47 -4.782 -3.108 -3.259 326 HG2 GLU 47 1HG GLU 47 -2.549 -1.875 -4.771 327 HG3 GLU 47 2HG GLU 47 -2.436 -3.588 -4.369 328 H LEU 48 H LEU 48 -6.639 -0.699 -3.857 329 HA LEU 48 HA LEU 48 -7.938 -1.313 -1.343 330 HB2 LEU 48 1HB LEU 48 -7.435 1.030 -1.044 331 HB3 LEU 48 2HB LEU 48 -8.133 1.411 -2.617 332 HG LEU 48 HG LEU 48 -10.348 0.639 -1.704 333 HD11 LEU 48 1HD1 LEU 48 -8.690 -0.126 0.483 334 HD12 LEU 48 2HD1 LEU 48 -10.420 -0.382 0.260 335 HD13 LEU 48 3HD1 LEU 48 -9.840 1.091 1.036 336 HD21 LEU 48 1HD2 LEU 48 -8.893 3.008 -0.566 337 HD22 LEU 48 2HD2 LEU 48 -10.602 2.712 -0.246 338 HD23 LEU 48 3HD2 LEU 48 -10.045 2.958 -1.901 339 H ASP 49 H ASP 49 -10.280 -1.454 -1.551 340 HA ASP 49 HA ASP 49 -11.045 -2.183 -4.290 341 HB2 ASP 49 1HB ASP 49 -12.810 -3.533 -3.261 342 HB3 ASP 49 2HB ASP 49 -11.234 -3.958 -2.599 343 H ASP 50 H ASP 50 -13.629 -2.029 -4.455 344 HA ASP 50 HA ASP 50 -14.210 0.814 -4.070 345 HB2 ASP 50 1HB ASP 50 -16.176 0.204 -5.645 346 HB3 ASP 50 2HB ASP 50 -14.549 0.270 -6.316 347 H GLY 51 H GLY 51 -14.358 -0.662 -1.746 348 HA2 GLY 51 1HA GLY 51 -15.760 -1.271 -0.023 349 HA3 GLY 51 2HA GLY 51 -16.756 0.043 -0.631 350 H ASN 52 H ASN 52 -16.065 -2.828 -2.506 351 HA ASN 52 HA ASN 52 -18.916 -3.527 -2.348 352 HB2 ASN 52 1HB ASN 52 -18.145 -2.999 -4.600 353 HB3 ASN 52 2HB ASN 52 -16.853 -4.189 -4.462 354 HD21 ASN 52 1HD2 ASN 52 -18.132 -4.696 -6.550 355 HD22 ASN 52 2HD2 ASN 52 -19.343 -5.917 -6.387 356 H GLY 53 H GLY 53 -15.663 -4.773 -1.969 357 HA2 GLY 53 1HA GLY 53 -15.139 -6.519 -0.450 358 HA3 GLY 53 2HA GLY 53 -16.785 -7.115 -0.608 359 H GLY 54 H GLY 54 -14.608 -6.276 -3.258 360 HA2 GLY 54 1HA GLY 54 -14.645 -9.126 -4.042 361 HA3 GLY 54 2HA GLY 54 -14.699 -7.800 -5.195 362 H GLN 55 H GLN 55 -12.842 -7.179 -6.086 363 HA GLN 55 HA GLN 55 -10.354 -8.222 -4.926 364 HB2 GLN 55 1HB GLN 55 -10.854 -7.188 -7.722 365 HB3 GLN 55 2HB GLN 55 -9.382 -7.957 -7.143 366 HG2 GLN 55 1HG GLN 55 -10.409 -9.681 -8.250 367 HG3 GLN 55 2HG GLN 55 -10.946 -9.950 -6.592 368 HE21 GLN 55 1HE2 GLN 55 -11.870 -9.146 -9.801 369 HE22 GLN 55 2HE2 GLN 55 -13.576 -9.105 -9.536 370 H PHE 56 H PHE 56 -8.387 -6.809 -5.397 371 HA PHE 56 HA PHE 56 -9.060 -4.041 -4.663 372 HB2 PHE 56 1HB PHE 56 -6.464 -5.525 -4.204 373 HB3 PHE 56 2HB PHE 56 -6.870 -3.918 -3.609 374 HD1 PHE 56 1HD PHE 56 -8.268 -7.378 -3.519 375 HD2 PHE 56 2HD PHE 56 -7.519 -3.752 -1.420 376 HE1 PHE 56 1HE PHE 56 -9.193 -8.377 -1.469 377 HE2 PHE 56 2HE PHE 56 -8.441 -4.745 0.633 378 HZ PHE 56 HZ PHE 56 -9.279 -7.061 0.611 379 H ARG 57 H ARG 57 -7.684 -2.331 -5.489 380 HA ARG 57 HA ARG 57 -6.202 -2.969 -7.929 381 HB2 ARG 57 1HB ARG 57 -7.343 -1.252 -9.215 382 HB3 ARG 57 2HB ARG 57 -8.504 -2.438 -8.634 383 HG2 ARG 57 1HG ARG 57 -8.725 -0.699 -6.648 384 HG3 ARG 57 2HG ARG 57 -8.171 0.413 -7.902 385 HD2 ARG 57 1HD ARG 57 -10.406 -1.501 -8.448 386 HD3 ARG 57 2HD ARG 57 -10.714 0.006 -7.586 387 HE ARG 57 HE ARG 57 -10.355 -0.281 -10.363 388 HH11 ARG 57 2HH1 ARG 57 -9.457 1.803 -7.724 389 HH12 ARG 57 1HH1 ARG 57 -9.303 3.214 -8.718 390 HH21 ARG 57 2HH2 ARG 57 -10.155 1.568 -11.683 391 HH22 ARG 57 1HH2 ARG 57 -9.701 3.079 -10.970 392 H GLU 58 H GLU 58 -4.566 -1.529 -8.430 393 HA GLU 58 HA GLU 58 -3.327 -0.172 -6.350 394 HB2 GLU 58 1HB GLU 58 -3.041 -0.035 -9.335 395 HB3 GLU 58 2HB GLU 58 -2.111 1.042 -8.303 396 HG2 GLU 58 1HG GLU 58 -1.194 -0.931 -7.134 397 HG3 GLU 58 2HG GLU 58 -2.058 -1.967 -8.269 398 H VAL 59 H VAL 59 -3.313 1.901 -5.618 399 HA VAL 59 HA VAL 59 -5.166 3.797 -6.905 400 HB VAL 59 HB VAL 59 -5.780 4.662 -4.698 401 HG11 VAL 59 1HG1 VAL 59 -7.032 2.779 -5.838 402 HG12 VAL 59 2HG1 VAL 59 -6.226 1.688 -4.710 403 HG13 VAL 59 3HG1 VAL 59 -7.296 2.953 -4.104 404 HG21 VAL 59 1HG2 VAL 59 -5.193 3.149 -2.713 405 HG22 VAL 59 2HG2 VAL 59 -3.908 2.519 -3.743 406 HG23 VAL 59 3HG2 VAL 59 -3.939 4.230 -3.320 407 H TYR 60 H TYR 60 -2.187 3.268 -5.162 408 HA TYR 60 HA TYR 60 -1.244 5.889 -6.050 409 HB2 TYR 60 1HB TYR 60 -1.625 6.631 -3.927 410 HB3 TYR 60 2HB TYR 60 -1.559 5.015 -3.234 411 HD1 TYR 60 2HD TYR 60 0.537 7.791 -4.514 412 HD2 TYR 60 1HD TYR 60 0.412 4.212 -2.217 413 HE1 TYR 60 2HE TYR 60 2.815 8.240 -3.703 414 HE2 TYR 60 1HE TYR 60 2.690 4.651 -1.398 415 HH TYR 60 HH TYR 60 4.786 6.638 -2.771 416 H VAL 61 H VAL 61 0.945 5.992 -6.473 417 HA VAL 61 HA VAL 61 2.679 3.778 -5.783 418 HB VAL 61 HB VAL 61 2.048 4.388 -8.674 419 HG11 VAL 61 1HG1 VAL 61 4.443 3.981 -8.296 420 HG12 VAL 61 2HG1 VAL 61 4.048 2.445 -7.522 421 HG13 VAL 61 3HG1 VAL 61 3.690 2.690 -9.232 422 HG21 VAL 61 1HG2 VAL 61 0.348 2.981 -7.945 423 HG22 VAL 61 2HG2 VAL 61 1.538 1.857 -8.600 424 HG23 VAL 61 3HG2 VAL 61 1.414 2.092 -6.857 425 H GLY 62 H GLY 62 4.573 4.627 -5.241 426 HA2 GLY 62 1HA GLY 62 6.076 6.374 -6.833 427 HA3 GLY 62 2HA GLY 62 5.225 7.339 -5.635 428 H LYS 63 H LYS 63 6.924 7.971 -4.396 429 HA LYS 63 HA LYS 63 8.361 5.826 -2.982 430 HB2 LYS 63 1HB LYS 63 10.292 7.507 -2.863 431 HB3 LYS 63 2HB LYS 63 10.017 6.697 -4.400 432 HG2 LYS 63 1HG LYS 63 10.327 8.857 -5.086 433 HG3 LYS 63 2HG LYS 63 8.570 8.807 -4.923 434 HD2 LYS 63 1HD LYS 63 8.972 9.650 -2.530 435 HD3 LYS 63 2HD LYS 63 10.597 10.051 -3.090 436 HE2 LYS 63 1HE LYS 63 9.482 12.029 -3.472 437 HE3 LYS 63 2HE LYS 63 9.324 11.233 -5.037 438 HZ1 LYS 63 1HZ LYS 63 7.112 10.580 -4.510 439 HZ2 LYS 63 2HZ LYS 63 7.238 12.234 -4.183 440 HZ3 LYS 63 3HZ LYS 63 7.256 11.118 -2.912 441 H GLU 64 H GLU 64 6.129 8.126 -2.642 442 HA GLU 64 HA GLU 64 6.967 9.637 -0.418 443 HB2 GLU 64 1HB GLU 64 4.185 8.836 -1.287 444 HB3 GLU 64 2HB GLU 64 4.539 10.039 -0.055 445 HG2 GLU 64 1HG GLU 64 5.522 11.502 -1.632 446 HG3 GLU 64 2HG GLU 64 5.540 10.255 -2.877 447 H THR 65 H THR 65 5.669 9.469 1.729 448 HA THR 65 HA THR 65 5.656 6.657 2.610 449 HB THR 65 HB THR 65 6.625 7.270 4.721 450 HG1 THR 65 1HG THR 65 6.096 9.860 3.808 451 HG21 THR 65 1HG2 THR 65 8.717 8.657 3.626 452 HG22 THR 65 2HG2 THR 65 7.990 7.900 2.209 453 HG23 THR 65 3HG2 THR 65 8.518 6.906 3.566 454 H MET 66 H MET 66 3.569 8.797 1.839 455 HA MET 66 HA MET 66 1.609 7.982 3.732 456 HB2 MET 66 1HB MET 66 2.637 9.666 5.133 457 HB3 MET 66 2HB MET 66 2.551 10.851 3.837 458 HG2 MET 66 1HG MET 66 0.329 11.230 4.134 459 HG3 MET 66 2HG MET 66 0.019 9.603 4.737 460 HE1 MET 66 1HE MET 66 -1.297 12.256 6.796 461 HE2 MET 66 2HE MET 66 0.103 13.328 6.848 462 HE3 MET 66 3HE MET 66 -0.493 12.729 5.299 463 H CYS 67 H CYS 67 -0.356 8.045 2.807 464 HA CYS 67 HA CYS 67 -0.891 9.951 0.663 465 HB2 CYS 67 1HB CYS 67 -0.005 8.012 -0.514 466 HB3 CYS 67 2HB CYS 67 -1.128 6.954 0.330 467 HG CYS 67 HG CYS 67 -3.113 7.223 -1.288 468 H THR 68 H THR 68 -3.018 10.519 0.472 469 HA THR 68 HA THR 68 -4.925 9.150 2.254 470 HB THR 68 HB THR 68 -4.606 12.124 1.829 471 HG1 THR 68 1HG THR 68 -3.531 11.915 3.632 472 HG21 THR 68 1HG2 THR 68 -6.844 10.557 3.098 473 HG22 THR 68 2HG2 THR 68 -6.948 11.767 1.819 474 HG23 THR 68 3HG2 THR 68 -6.543 12.255 3.464 475 H VAL 69 H VAL 69 -7.119 9.167 1.600 476 HA VAL 69 HA VAL 69 -7.466 9.591 -1.292 477 HB VAL 69 HB VAL 69 -9.283 7.908 0.412 478 HG11 VAL 69 1HG1 VAL 69 -10.303 8.185 -1.626 479 HG12 VAL 69 2HG1 VAL 69 -8.773 8.293 -2.500 480 HG13 VAL 69 3HG1 VAL 69 -9.356 6.728 -1.929 481 HG21 VAL 69 1HG2 VAL 69 -6.808 6.948 -1.021 482 HG22 VAL 69 2HG2 VAL 69 -6.973 7.105 0.728 483 HG23 VAL 69 3HG2 VAL 69 -7.972 5.948 -0.152 484 H ASP 70 H ASP 70 -9.402 10.518 -2.068 485 HA ASP 70 HA ASP 70 -10.937 12.031 -0.059 486 HB2 ASP 70 1HB ASP 70 -9.788 13.769 -1.034 487 HB3 ASP 70 2HB ASP 70 -9.639 12.943 -2.583 488 H GLY 71 H GLY 71 -13.123 12.053 -0.268 489 HA2 GLY 71 1HA GLY 71 -15.201 11.748 -1.281 490 HA3 GLY 71 2HA GLY 71 -14.384 11.192 -2.734 491 H LEU 72 H LEU 72 -13.198 9.646 0.009 492 HA LEU 72 HA LEU 72 -13.927 7.094 -0.771 493 HB2 LEU 72 1HB LEU 72 -13.146 8.232 1.893 494 HB3 LEU 72 2HB LEU 72 -13.504 6.518 1.693 495 HG LEU 72 HG LEU 72 -11.282 8.069 0.366 496 HD11 LEU 72 1HD1 LEU 72 -11.325 5.935 2.490 497 HD12 LEU 72 2HD1 LEU 72 -10.760 7.598 2.647 498 HD13 LEU 72 3HD1 LEU 72 -9.869 6.456 1.641 499 HD21 LEU 72 1HD2 LEU 72 -11.369 6.540 -1.248 500 HD22 LEU 72 2HD2 LEU 72 -12.597 5.606 -0.392 501 HD23 LEU 72 3HD2 LEU 72 -10.887 5.350 -0.038 502 H HIS 73 H HIS 73 -15.744 5.949 -0.683 503 HA HIS 73 HA HIS 73 -18.198 7.014 0.086 504 HB2 HIS 73 1HB HIS 73 -17.556 4.903 -1.370 505 HB3 HIS 73 2HB HIS 73 -17.799 4.053 0.153 506 HD1 HIS 73 1HD HIS 73 -20.181 3.676 0.912 507 HD2 HIS 73 2HD HIS 73 -19.908 6.158 -2.409 508 HE1 HIS 73 1HE HIS 73 -22.541 3.962 0.090 509 HE2 HIS 73 2HE HIS 73 -22.341 5.398 -1.969 510 H PHE 74 H PHE 74 -19.457 6.877 1.897 511 HA PHE 74 HA PHE 74 -18.098 5.926 4.323 512 HB2 PHE 74 1HB PHE 74 -19.980 7.382 5.414 513 HB3 PHE 74 2HB PHE 74 -18.571 8.165 4.705 514 HD1 PHE 74 2HD PHE 74 -21.894 6.917 3.539 515 HD2 PHE 74 1HD PHE 74 -19.007 10.045 3.483 516 HE1 PHE 74 2HE PHE 74 -23.370 8.248 2.090 517 HE2 PHE 74 1HE PHE 74 -20.479 11.382 2.034 518 HZ PHE 74 HZ PHE 74 -22.663 10.483 1.334 519 H ASN 75 H ASN 75 -19.879 5.416 6.106 520 HA ASN 75 HA ASN 75 -21.280 3.783 6.857 521 HB2 ASN 75 1HB ASN 75 -22.789 4.771 4.434 522 HB3 ASN 75 2HB ASN 75 -23.470 3.633 5.592 523 HD21 ASN 75 1HD2 ASN 75 -23.792 4.328 7.755 524 HD22 ASN 75 2HD2 ASN 75 -23.990 6.005 8.119 525 H SER 76 H SER 76 -19.132 2.938 5.108 526 HA SER 76 HA SER 76 -20.189 0.320 4.414 527 HB2 SER 76 1HB SER 76 -19.008 2.231 2.415 528 HB3 SER 76 2HB SER 76 -18.862 0.489 2.185 529 HG SER 76 HG SER 76 -21.239 2.019 2.392 530 H THR 77 H THR 77 -18.336 -1.148 3.686 531 HA THR 77 HA THR 77 -16.076 -0.663 5.489 532 HB THR 77 HB THR 77 -16.644 -3.266 4.088 533 HG1 THR 77 1HG THR 77 -17.589 -2.685 6.690 534 HG21 THR 77 1HG2 THR 77 -15.295 -2.598 6.707 535 HG22 THR 77 2HG2 THR 77 -14.473 -3.010 5.203 536 HG23 THR 77 3HG2 THR 77 -15.476 -4.210 6.017 537 H TYR 78 H TYR 78 -13.968 -0.673 4.814 538 HA TYR 78 HA TYR 78 -13.473 -0.985 1.932 539 HB2 TYR 78 1HB TYR 78 -12.902 1.354 3.679 540 HB3 TYR 78 2HB TYR 78 -11.684 0.927 2.483 541 HD1 TYR 78 2HD TYR 78 -12.266 0.954 0.067 542 HD2 TYR 78 1HD TYR 78 -14.961 2.370 3.039 543 HE1 TYR 78 2HE TYR 78 -13.549 2.135 -1.668 544 HE2 TYR 78 1HE TYR 78 -16.253 3.554 1.312 545 HH TYR 78 HH TYR 78 -15.120 3.796 -1.985 546 H ASN 79 H ASN 79 -11.739 -2.180 1.427 547 HA ASN 79 HA ASN 79 -9.948 -2.972 3.627 548 HB2 ASN 79 1HB ASN 79 -10.376 -4.543 1.090 549 HB3 ASN 79 2HB ASN 79 -9.689 -5.098 2.614 550 HD21 ASN 79 1HD2 ASN 79 -10.983 -6.069 4.018 551 HD22 ASN 79 2HD2 ASN 79 -12.707 -6.116 3.926 552 H ALA 80 H ALA 80 -7.986 -2.123 3.519 553 HA ALA 80 HA ALA 80 -6.839 -1.556 0.863 554 HB1 ALA 80 1HB ALA 80 -7.425 0.444 2.300 555 HB2 ALA 80 2HB ALA 80 -6.128 -0.072 3.380 556 HB3 ALA 80 3HB ALA 80 -5.765 0.367 1.711 557 H ARG 81 H ARG 81 -4.382 -1.441 0.942 558 HA ARG 81 HA ARG 81 -2.969 -2.870 2.944 559 HB2 ARG 81 1HB ARG 81 -2.431 -4.893 1.716 560 HB3 ARG 81 2HB ARG 81 -4.172 -4.767 1.921 561 HG2 ARG 81 1HG ARG 81 -4.229 -3.771 -0.411 562 HG3 ARG 81 2HG ARG 81 -2.556 -4.311 -0.565 563 HD2 ARG 81 1HD ARG 81 -3.310 -6.613 -0.005 564 HD3 ARG 81 2HD ARG 81 -4.974 -6.029 -0.021 565 HE ARG 81 HE ARG 81 -4.018 -5.295 -2.451 566 HH11 ARG 81 2HH1 ARG 81 -4.125 -8.307 -0.708 567 HH12 ARG 81 1HH1 ARG 81 -4.222 -9.281 -2.137 568 HH21 ARG 81 2HH2 ARG 81 -4.146 -6.567 -4.340 569 HH22 ARG 81 1HH2 ARG 81 -4.233 -8.291 -4.203 570 H VAL 82 H VAL 82 -0.979 -2.072 2.891 571 HA VAL 82 HA VAL 82 0.018 -0.946 0.365 572 HB VAL 82 HB VAL 82 -0.189 0.482 2.495 573 HG11 VAL 82 1HG1 VAL 82 2.491 -0.310 3.327 574 HG12 VAL 82 2HG1 VAL 82 1.062 0.047 4.297 575 HG13 VAL 82 3HG1 VAL 82 1.278 -1.559 3.601 576 HG21 VAL 82 1HG2 VAL 82 2.462 0.353 1.060 577 HG22 VAL 82 2HG2 VAL 82 1.014 1.169 0.470 578 HG23 VAL 82 3HG2 VAL 82 1.816 1.744 1.932 579 H LYS 83 H LYS 83 2.166 -1.323 -0.296 580 HA LYS 83 HA LYS 83 3.716 -3.346 1.107 581 HB2 LYS 83 1HB LYS 83 3.972 -4.708 -0.965 582 HB3 LYS 83 2HB LYS 83 2.345 -4.737 -0.297 583 HG2 LYS 83 1HG LYS 83 1.480 -3.433 -2.010 584 HG3 LYS 83 2HG LYS 83 3.067 -2.808 -2.466 585 HD2 LYS 83 1HD LYS 83 3.681 -5.111 -3.205 586 HD3 LYS 83 2HD LYS 83 2.014 -5.602 -2.896 587 HE2 LYS 83 1HE LYS 83 1.250 -3.893 -4.506 588 HE3 LYS 83 2HE LYS 83 2.933 -3.493 -4.848 589 HZ1 LYS 83 1HZ LYS 83 1.921 -6.248 -5.171 590 HZ2 LYS 83 2HZ LYS 83 3.291 -5.537 -5.863 591 HZ3 LYS 83 3HZ LYS 83 1.748 -5.104 -6.405 592 H ALA 84 H ALA 84 5.885 -3.631 0.143 593 HA ALA 84 HA ALA 84 6.793 -1.110 -1.074 594 HB1 ALA 84 1HB ALA 84 8.613 -1.147 0.244 595 HB2 ALA 84 2HB ALA 84 7.642 -2.233 1.238 596 HB3 ALA 84 3HB ALA 84 8.814 -2.893 0.097 597 H PHE 85 H PHE 85 8.323 -1.149 -2.757 598 HA PHE 85 HA PHE 85 8.949 -3.721 -3.980 599 HB2 PHE 85 1HB PHE 85 7.967 -3.281 -6.061 600 HB3 PHE 85 2HB PHE 85 6.744 -2.750 -4.912 601 HD1 PHE 85 1HD PHE 85 9.337 -1.627 -7.268 602 HD2 PHE 85 2HD PHE 85 6.094 -0.470 -4.764 603 HE1 PHE 85 1HE PHE 85 9.315 0.594 -8.328 604 HE2 PHE 85 2HE PHE 85 6.066 1.752 -5.821 605 HZ PHE 85 HZ PHE 85 7.677 2.286 -7.606 606 H ASN 86 H ASN 86 10.742 -3.678 -5.359 607 HA ASN 86 HA ASN 86 12.075 -1.186 -5.941 608 HB2 ASN 86 1HB ASN 86 14.164 -1.784 -4.767 609 HB3 ASN 86 2HB ASN 86 12.825 -1.552 -3.647 610 HD21 ASN 86 1HD2 ASN 86 14.083 -2.777 -2.144 611 HD22 ASN 86 2HD2 ASN 86 14.088 -4.503 -2.222 612 H LYS 87 H LYS 87 14.480 -1.911 -6.738 613 HA LYS 87 HA LYS 87 14.286 -2.989 -9.195 614 HB2 LYS 87 1HB LYS 87 16.365 -2.139 -7.743 615 HB3 LYS 87 2HB LYS 87 16.679 -3.868 -7.662 616 HG2 LYS 87 1HG LYS 87 17.853 -3.393 -9.536 617 HG3 LYS 87 2HG LYS 87 16.276 -3.671 -10.280 618 HD2 LYS 87 1HD LYS 87 15.876 -1.392 -10.568 619 HD3 LYS 87 2HD LYS 87 17.082 -0.932 -9.363 620 HE2 LYS 87 1HE LYS 87 17.797 -2.297 -11.947 621 HE3 LYS 87 2HE LYS 87 17.696 -0.544 -11.794 622 HZ1 LYS 87 1HZ LYS 87 19.861 -0.781 -11.279 623 HZ2 LYS 87 2HZ LYS 87 19.696 -2.383 -10.763 624 HZ3 LYS 87 3HZ LYS 87 19.263 -1.114 -9.732 625 H THR 88 H THR 88 14.921 -4.873 -6.247 626 HA THR 88 HA THR 88 15.231 -7.386 -7.266 627 HB THR 88 HB THR 88 13.574 -6.741 -4.820 628 HG1 THR 88 1HG THR 88 15.397 -6.131 -3.956 629 HG21 THR 88 1HG2 THR 88 14.262 -8.934 -4.033 630 HG22 THR 88 2HG2 THR 88 15.196 -9.195 -5.507 631 HG23 THR 88 3HG2 THR 88 13.438 -9.084 -5.584 632 H GLY 89 H GLY 89 12.067 -6.342 -5.990 633 HA2 GLY 89 1HA GLY 89 10.637 -7.058 -8.344 634 HA3 GLY 89 2HA GLY 89 10.554 -8.346 -7.152 635 H VAL 90 H VAL 90 9.038 -8.229 -5.618 636 HA VAL 90 HA VAL 90 7.980 -5.680 -4.747 637 HB VAL 90 HB VAL 90 5.583 -6.764 -5.179 638 HG11 VAL 90 1HG1 VAL 90 7.202 -5.170 -7.160 639 HG12 VAL 90 2HG1 VAL 90 5.451 -5.379 -7.244 640 HG13 VAL 90 3HG1 VAL 90 6.176 -4.545 -5.869 641 HG21 VAL 90 1HG2 VAL 90 7.264 -7.777 -7.471 642 HG22 VAL 90 2HG2 VAL 90 6.437 -8.766 -6.267 643 HG23 VAL 90 3HG2 VAL 90 5.501 -7.797 -7.406 644 H SER 91 H SER 91 7.083 -5.768 -2.730 645 HA SER 91 HA SER 91 7.419 -8.280 -1.298 646 HB2 SER 91 1HB SER 91 7.601 -7.031 0.629 647 HB3 SER 91 2HB SER 91 8.123 -5.829 -0.552 648 HG SER 91 HG SER 91 6.435 -5.209 1.045 649 HA PRO 92 HA PRO 92 3.172 -9.349 -1.031 650 HB2 PRO 92 1HB PRO 92 3.042 -10.425 1.458 651 HB3 PRO 92 2HB PRO 92 3.837 -11.234 0.102 652 HG2 PRO 92 1HG PRO 92 5.045 -9.631 2.323 653 HG3 PRO 92 2HG PRO 92 5.597 -11.163 1.620 654 HD2 PRO 92 1HD PRO 92 6.703 -8.778 0.969 655 HD3 PRO 92 2HD PRO 92 6.586 -10.123 -0.184 656 H TYR 93 H TYR 93 1.239 -8.496 -0.419 657 HA TYR 93 HA TYR 93 1.108 -5.971 0.739 658 HB2 TYR 93 1HB TYR 93 -1.017 -8.088 0.395 659 HB3 TYR 93 2HB TYR 93 -1.364 -6.458 0.962 660 HD1 TYR 93 1HD TYR 93 -0.275 -4.564 -0.622 661 HD2 TYR 93 2HD TYR 93 -1.353 -8.494 -1.845 662 HE1 TYR 93 1HE TYR 93 -0.445 -3.786 -2.949 663 HE2 TYR 93 2HE TYR 93 -1.525 -7.727 -4.176 664 HH TYR 93 HH TYR 93 -1.706 -5.840 -5.484 665 H SER 94 H SER 94 0.219 -5.254 2.743 666 HA SER 94 HA SER 94 1.084 -6.878 4.973 667 HB2 SER 94 1HB SER 94 0.233 -4.789 6.268 668 HB3 SER 94 2HB SER 94 1.672 -4.633 5.262 669 HG SER 94 HG SER 94 0.353 -2.934 4.757 670 H LYS 95 H LYS 95 -0.387 -6.817 6.987 671 HA LYS 95 HA LYS 95 -2.529 -8.473 6.668 672 HB2 LYS 95 1HB LYS 95 -1.545 -7.979 8.847 673 HB3 LYS 95 2HB LYS 95 -2.187 -6.342 8.786 674 HG2 LYS 95 1HG LYS 95 -4.455 -7.203 8.862 675 HG3 LYS 95 2HG LYS 95 -3.842 -8.858 8.855 676 HD2 LYS 95 1HD LYS 95 -4.226 -8.502 11.106 677 HD3 LYS 95 2HD LYS 95 -2.516 -8.087 10.961 678 HE2 LYS 95 1HE LYS 95 -3.548 -6.390 12.271 679 HE3 LYS 95 2HE LYS 95 -3.215 -5.696 10.685 680 HZ1 LYS 95 1HZ LYS 95 -5.430 -5.123 11.509 681 HZ2 LYS 95 2HZ LYS 95 -5.846 -6.761 11.560 682 HZ3 LYS 95 3HZ LYS 95 -5.513 -6.020 10.077 683 H THR 96 H THR 96 -4.580 -8.321 6.001 684 HA THR 96 HA THR 96 -5.547 -6.179 4.548 685 HB THR 96 HB THR 96 -7.257 -8.178 6.039 686 HG1 THR 96 1HG THR 96 -6.931 -9.528 4.325 687 HG21 THR 96 1HG2 THR 96 -8.672 -6.504 5.175 688 HG22 THR 96 2HG2 THR 96 -8.725 -7.802 3.983 689 HG23 THR 96 3HG2 THR 96 -7.740 -6.370 3.684 690 H LEU 97 H LEU 97 -5.745 -4.167 5.311 691 HA LEU 97 HA LEU 97 -6.700 -3.704 8.021 692 HB2 LEU 97 1HB LEU 97 -4.808 -2.409 7.299 693 HB3 LEU 97 2HB LEU 97 -5.686 -1.845 5.878 694 HG LEU 97 HG LEU 97 -7.288 -0.734 7.544 695 HD11 LEU 97 1HD1 LEU 97 -6.895 -1.375 9.661 696 HD12 LEU 97 2HD1 LEU 97 -5.658 -0.119 9.610 697 HD13 LEU 97 3HD1 LEU 97 -5.216 -1.804 9.333 698 HD21 LEU 97 1HD2 LEU 97 -4.588 0.069 6.693 699 HD22 LEU 97 2HD2 LEU 97 -5.283 1.019 8.006 700 HD23 LEU 97 3HD2 LEU 97 -6.140 0.878 6.470 701 H VAL 98 H VAL 98 -8.828 -3.731 8.321 702 HA VAL 98 HA VAL 98 -10.602 -2.774 6.195 703 HB VAL 98 HB VAL 98 -11.428 -4.113 8.767 704 HG11 VAL 98 1HG1 VAL 98 -12.943 -4.334 6.226 705 HG12 VAL 98 2HG1 VAL 98 -13.524 -4.253 7.890 706 HG13 VAL 98 3HG1 VAL 98 -12.986 -2.787 7.070 707 HG21 VAL 98 1HG2 VAL 98 -11.463 -5.757 6.356 708 HG22 VAL 98 2HG2 VAL 98 -9.840 -5.295 6.866 709 HG23 VAL 98 3HG2 VAL 98 -10.907 -6.144 7.984 710 H LEU 99 H LEU 99 -11.326 -0.761 6.273 711 HA LEU 99 HA LEU 99 -11.420 0.612 8.873 712 HB2 LEU 99 1HB LEU 99 -11.478 1.906 6.159 713 HB3 LEU 99 2HB LEU 99 -11.174 2.670 7.718 714 HG LEU 99 HG LEU 99 -9.096 1.017 7.696 715 HD11 LEU 99 1HD1 LEU 99 -10.093 0.344 5.297 716 HD12 LEU 99 2HD1 LEU 99 -8.375 0.280 5.691 717 HD13 LEU 99 3HD1 LEU 99 -9.029 1.668 4.821 718 HD21 LEU 99 1HD2 LEU 99 -9.510 3.746 6.611 719 HD22 LEU 99 2HD2 LEU 99 -7.957 2.971 6.302 720 HD23 LEU 99 3HD2 LEU 99 -8.514 3.200 7.960 721 H GLN 100 H GLN 100 -13.355 0.913 9.737 722 HA GLN 100 HA GLN 100 -15.737 0.614 8.088 723 HB2 GLN 100 1HB GLN 100 -15.349 0.827 11.076 724 HB3 GLN 100 2HB GLN 100 -16.924 0.703 10.304 725 HG2 GLN 100 1HG GLN 100 -16.561 -1.480 10.821 726 HG3 GLN 100 2HG GLN 100 -15.857 -1.430 9.206 727 HE21 GLN 100 1HE2 GLN 100 -13.505 -1.016 9.113 728 HE22 GLN 100 2HE2 GLN 100 -12.510 -1.719 10.337 729 H THR 101 H THR 101 -15.948 2.498 6.943 730 HA THR 101 HA THR 101 -15.599 5.086 8.043 731 HB THR 101 HB THR 101 -16.719 5.907 6.002 732 HG1 THR 101 1HG THR 101 -17.249 3.137 5.649 733 HG21 THR 101 1HG2 THR 101 -14.302 4.549 6.181 734 HG22 THR 101 2HG2 THR 101 -14.808 5.624 4.877 735 HG23 THR 101 3HG2 THR 101 -15.068 3.885 4.738 736 H SER 102 H SER 102 -16.940 6.350 9.169 737 HA SER 102 HA SER 102 -19.571 5.311 9.853 738 HB2 SER 102 1HB SER 102 -19.587 7.034 11.586 739 HB3 SER 102 2HB SER 102 -18.072 6.133 11.643 740 HG SER 102 HG SER 102 -18.541 8.780 10.998 741 H GLU 103 H GLU 103 -21.366 6.982 10.072 742 HA GLU 103 HA GLU 103 -22.056 7.955 7.556 743 HB2 GLU 103 1HB GLU 103 -23.940 9.002 8.616 744 HB3 GLU 103 2HB GLU 103 -23.646 7.464 9.414 745 HG2 GLU 103 1HG GLU 103 -22.274 8.884 11.092 746 HG3 GLU 103 2HG GLU 103 -23.192 10.234 10.426 747 H GLY 104 H GLY 104 -21.798 9.854 6.508 748 HA2 GLY 104 1HA GLY 104 -19.786 11.661 7.464 749 HA3 GLY 104 2HA GLY 104 -20.686 11.802 5.961 750 H SER 105 H SER 105 -20.199 13.113 8.994 751 HA SER 105 HA SER 105 -22.844 14.366 9.103 752 HB2 SER 105 1HB SER 105 -20.579 14.181 11.088 753 HB3 SER 105 2HB SER 105 -21.952 15.262 11.326 754 HG SER 105 HG SER 105 -23.099 13.061 10.781 755 H GLY 106 H GLY 106 -23.088 16.637 9.232 756 HA2 GLY 106 1HA GLY 106 -22.599 18.834 8.751 757 HA3 GLY 106 2HA GLY 106 -20.901 18.438 8.968 758 HA PRO 107 HA PRO 107 -22.161 17.698 4.321 759 HB2 PRO 107 1HB PRO 107 -24.261 19.213 3.506 760 HB3 PRO 107 2HB PRO 107 -24.446 17.567 4.121 761 HG2 PRO 107 1HG PRO 107 -24.851 20.174 5.535 762 HG3 PRO 107 2HG PRO 107 -25.846 18.707 5.587 763 HD2 PRO 107 1HD PRO 107 -24.086 19.344 7.543 764 HD3 PRO 107 2HD PRO 107 -24.453 17.665 7.099 765 H SER 108 H SER 108 -21.697 20.420 6.189 766 HA SER 108 HA SER 108 -20.971 22.566 5.789 767 HB2 SER 108 1HB SER 108 -18.858 22.609 4.679 768 HB3 SER 108 2HB SER 108 -18.985 21.023 5.441 769 HG SER 108 HG SER 108 -19.347 21.683 2.711 770 H SER 109 H SER 109 -23.336 22.252 4.471 771 HA SER 109 HA SER 109 -22.856 23.671 1.933 772 HB2 SER 109 1HB SER 109 -24.889 22.646 1.032 773 HB3 SER 109 2HB SER 109 -23.747 21.400 1.539 774 HG SER 109 HG SER 109 -25.095 21.684 3.641 775 H GLY 110 H GLY 110 -23.252 25.751 2.389 776 HA2 GLY 110 1HA GLY 110 -24.396 27.646 2.995 777 HA3 GLY 110 2HA GLY 110 -25.857 26.680 2.851 Start of MODEL 19 1 H1 GLY 1 H GLY 1 13.742 -16.080 -8.389 2 HA2 GLY 1 1HA GLY 1 15.262 -17.573 -7.453 3 HA3 GLY 1 2HA GLY 1 16.027 -17.738 -9.026 4 H SER 2 H SER 2 18.085 -17.162 -8.920 5 HA SER 2 HA SER 2 18.769 -14.612 -7.658 6 HB2 SER 2 1HB SER 2 19.172 -16.643 -6.102 7 HB3 SER 2 2HB SER 2 20.515 -17.017 -7.182 8 HG SER 2 HG SER 2 21.314 -15.734 -5.563 9 H SER 3 H SER 3 19.854 -13.424 -9.067 10 HA SER 3 HA SER 3 21.067 -14.666 -11.392 11 HB2 SER 3 1HB SER 3 19.676 -12.623 -11.623 12 HB3 SER 3 2HB SER 3 20.859 -11.734 -10.664 13 HG SER 3 HG SER 3 22.383 -12.096 -12.278 14 H GLY 4 H GLY 4 22.040 -13.089 -8.433 15 HA2 GLY 4 1HA GLY 4 24.300 -13.905 -7.681 16 HA3 GLY 4 2HA GLY 4 24.863 -13.372 -9.258 17 H SER 5 H SER 5 22.860 -11.963 -6.663 18 HA SER 5 HA SER 5 24.782 -9.892 -6.158 19 HB2 SER 5 1HB SER 5 23.454 -8.003 -6.879 20 HB3 SER 5 2HB SER 5 23.672 -9.088 -8.252 21 HG SER 5 HG SER 5 21.496 -9.903 -7.085 22 H SER 6 H SER 6 23.965 -8.329 -4.508 23 HA SER 6 HA SER 6 22.134 -9.721 -2.676 24 HB2 SER 6 1HB SER 6 24.160 -7.571 -2.015 25 HB3 SER 6 2HB SER 6 23.235 -8.540 -0.867 26 HG SER 6 HG SER 6 24.397 -10.307 -2.311 27 H GLY 7 H GLY 7 20.127 -8.964 -3.057 28 HA2 GLY 7 1HA GLY 7 19.457 -6.327 -2.243 29 HA3 GLY 7 2HA GLY 7 19.407 -6.453 -3.995 30 HA PRO 8 HA PRO 8 16.054 -9.510 -2.294 31 HB2 PRO 8 1HB PRO 8 15.463 -9.288 0.346 32 HB3 PRO 8 2HB PRO 8 16.697 -10.391 -0.272 33 HG2 PRO 8 1HG PRO 8 17.023 -7.680 0.955 34 HG3 PRO 8 2HG PRO 8 17.974 -9.152 1.225 35 HD2 PRO 8 1HD PRO 8 18.815 -7.151 -0.393 36 HD3 PRO 8 2HD PRO 8 19.214 -8.854 -0.695 37 H VAL 9 H VAL 9 13.873 -9.070 -2.342 38 HA VAL 9 HA VAL 9 12.926 -6.596 -2.944 39 HB VAL 9 HB VAL 9 10.659 -7.419 -2.108 40 HG11 VAL 9 1HG1 VAL 9 12.067 -9.350 -3.933 41 HG12 VAL 9 2HG1 VAL 9 10.377 -8.843 -3.968 42 HG13 VAL 9 3HG1 VAL 9 11.649 -7.709 -4.424 43 HG21 VAL 9 1HG2 VAL 9 10.691 -9.069 -0.614 44 HG22 VAL 9 2HG2 VAL 9 11.185 -10.144 -1.922 45 HG23 VAL 9 3HG2 VAL 9 12.403 -9.382 -0.898 46 HA PRO 10 HA PRO 10 12.719 -4.123 0.677 47 HB2 PRO 10 1HB PRO 10 10.486 -2.658 0.191 48 HB3 PRO 10 2HB PRO 10 12.005 -2.410 -0.677 49 HG2 PRO 10 1HG PRO 10 9.564 -3.921 -1.525 50 HG3 PRO 10 2HG PRO 10 10.577 -2.811 -2.467 51 HD2 PRO 10 1HD PRO 10 10.791 -5.503 -2.666 52 HD3 PRO 10 2HD PRO 10 12.180 -4.417 -2.871 53 H ALA 11 H ALA 11 12.212 -4.882 2.629 54 HA ALA 11 HA ALA 11 10.350 -6.714 3.354 55 HB1 ALA 11 1HB ALA 11 10.358 -5.484 5.634 56 HB2 ALA 11 2HB ALA 11 11.863 -6.167 5.018 57 HB3 ALA 11 3HB ALA 11 11.555 -4.437 4.872 58 H THR 12 H THR 12 8.205 -6.824 3.641 59 HA THR 12 HA THR 12 6.456 -4.959 2.578 60 HB THR 12 HB THR 12 5.902 -7.042 4.700 61 HG1 THR 12 1HG THR 12 5.410 -7.112 1.894 62 HG21 THR 12 1HG2 THR 12 3.889 -5.754 2.866 63 HG22 THR 12 2HG2 THR 12 4.198 -5.169 4.501 64 HG23 THR 12 3HG2 THR 12 3.589 -6.805 4.249 65 HA PRO 13 HA PRO 13 6.304 -1.762 5.624 66 HB2 PRO 13 1HB PRO 13 4.037 -0.542 4.761 67 HB3 PRO 13 2HB PRO 13 5.586 -0.397 3.921 68 HG2 PRO 13 1HG PRO 13 3.255 -2.172 3.305 69 HG3 PRO 13 2HG PRO 13 4.265 -1.225 2.196 70 HD2 PRO 13 1HD PRO 13 4.602 -3.887 2.560 71 HD3 PRO 13 2HD PRO 13 5.952 -2.795 2.192 72 H ILE 14 H ILE 14 5.104 -1.126 7.453 73 HA ILE 14 HA ILE 14 3.120 -3.112 8.310 74 HB ILE 14 HB ILE 14 4.514 -1.104 10.072 75 HG12 ILE 14 1HG1 ILE 14 5.760 -3.432 10.648 76 HG13 ILE 14 2HG1 ILE 14 5.480 -3.660 8.926 77 HG21 ILE 14 1HG2 ILE 14 3.410 -2.040 11.769 78 HG22 ILE 14 2HG2 ILE 14 2.375 -2.772 10.544 79 HG23 ILE 14 3HG2 ILE 14 3.744 -3.673 11.194 80 HD11 ILE 14 1HD1 ILE 14 7.579 -2.698 9.009 81 HD12 ILE 14 2HD1 ILE 14 6.526 -1.322 8.677 82 HD13 ILE 14 3HD1 ILE 14 7.133 -1.595 10.310 83 H LEU 15 H LEU 15 1.075 -2.523 8.037 84 HA LEU 15 HA LEU 15 0.209 0.122 7.601 85 HB2 LEU 15 1HB LEU 15 -1.093 -2.503 8.059 86 HB3 LEU 15 2HB LEU 15 -2.077 -1.059 8.292 87 HG LEU 15 HG LEU 15 -0.558 -1.553 5.746 88 HD11 LEU 15 1HD1 LEU 15 -2.045 -3.031 5.000 89 HD12 LEU 15 2HD1 LEU 15 -3.405 -2.103 5.632 90 HD13 LEU 15 3HD1 LEU 15 -2.542 -3.228 6.681 91 HD21 LEU 15 1HD2 LEU 15 -1.614 0.264 4.955 92 HD22 LEU 15 2HD2 LEU 15 -1.819 0.669 6.660 93 HD23 LEU 15 3HD2 LEU 15 -3.124 -0.127 5.778 94 H GLN 16 H GLN 16 0.326 1.674 9.086 95 HA GLN 16 HA GLN 16 -0.495 1.032 11.842 96 HB2 GLN 16 1HB GLN 16 1.448 3.137 10.880 97 HB3 GLN 16 2HB GLN 16 0.926 2.941 12.547 98 HG2 GLN 16 1HG GLN 16 2.307 0.778 10.983 99 HG3 GLN 16 2HG GLN 16 3.158 1.955 11.983 100 HE21 GLN 16 1HE2 GLN 16 2.376 2.091 14.269 101 HE22 GLN 16 2HE2 GLN 16 1.981 0.605 15.058 102 H LEU 17 H LEU 17 -2.414 1.637 9.931 103 HA LEU 17 HA LEU 17 -3.253 4.105 9.369 104 HB2 LEU 17 1HB LEU 17 -4.494 1.813 9.278 105 HB3 LEU 17 2HB LEU 17 -5.197 2.346 10.803 106 HG LEU 17 HG LEU 17 -6.710 2.821 8.984 107 HD11 LEU 17 1HD1 LEU 17 -7.313 4.860 9.739 108 HD12 LEU 17 2HD1 LEU 17 -5.703 5.543 9.513 109 HD13 LEU 17 3HD1 LEU 17 -6.047 4.546 10.926 110 HD21 LEU 17 1HD2 LEU 17 -5.832 3.216 6.976 111 HD22 LEU 17 2HD2 LEU 17 -4.269 3.662 7.663 112 HD23 LEU 17 3HD2 LEU 17 -5.551 4.867 7.527 113 H GLU 18 H GLU 18 -3.437 5.968 10.407 114 HA GLU 18 HA GLU 18 -3.785 5.920 13.329 115 HB2 GLU 18 1HB GLU 18 -1.717 7.006 12.200 116 HB3 GLU 18 2HB GLU 18 -2.823 8.306 11.779 117 HG2 GLU 18 1HG GLU 18 -2.409 7.338 14.593 118 HG3 GLU 18 2HG GLU 18 -1.483 8.650 13.867 119 H GLU 19 H GLU 19 -4.745 7.708 10.410 120 HA GLU 19 HA GLU 19 -6.863 9.075 11.823 121 HB2 GLU 19 1HB GLU 19 -5.690 10.274 10.076 122 HB3 GLU 19 2HB GLU 19 -6.091 9.028 8.902 123 HG2 GLU 19 1HG GLU 19 -7.540 10.851 8.504 124 HG3 GLU 19 2HG GLU 19 -8.502 9.584 9.264 125 H CYS 20 H CYS 20 -8.129 7.299 12.528 126 HA CYS 20 HA CYS 20 -9.695 6.029 10.380 127 HB2 CYS 20 1HB CYS 20 -8.259 4.426 11.616 128 HB3 CYS 20 2HB CYS 20 -9.074 4.880 13.108 129 HG CYS 20 HG CYS 20 -10.007 2.372 12.265 130 H CYS 21 H CYS 21 -11.924 5.784 10.702 131 HA CYS 21 HA CYS 21 -13.996 6.471 11.338 132 HB2 CYS 21 1HB CYS 21 -12.605 6.387 14.014 133 HB3 CYS 21 2HB CYS 21 -14.318 6.753 13.851 134 HG CYS 21 HG CYS 21 -14.250 4.132 12.186 135 H THR 22 H THR 22 -12.529 8.461 10.215 136 HA THR 22 HA THR 22 -12.781 10.822 11.916 137 HB THR 22 HB THR 22 -10.720 10.539 10.572 138 HG1 THR 22 1HG THR 22 -11.978 12.680 11.003 139 HG21 THR 22 1HG2 THR 22 -11.577 9.439 8.614 140 HG22 THR 22 2HG2 THR 22 -10.876 10.980 8.118 141 HG23 THR 22 3HG2 THR 22 -12.626 10.808 8.248 142 H HIS 23 H HIS 23 -14.162 12.509 11.513 143 HA HIS 23 HA HIS 23 -16.663 12.085 10.523 144 HB2 HIS 23 1HB HIS 23 -15.256 14.750 10.316 145 HB3 HIS 23 2HB HIS 23 -16.983 14.465 10.501 146 HD1 HIS 23 1HD HIS 23 -17.851 14.523 12.827 147 HD2 HIS 23 2HD HIS 23 -13.742 13.925 12.709 148 HE1 HIS 23 1HE HIS 23 -17.093 14.592 15.223 149 HE2 HIS 23 2HE HIS 23 -14.592 14.312 15.121 150 H ASN 24 H ASN 24 -13.944 13.519 8.730 151 HA ASN 24 HA ASN 24 -15.340 13.843 6.300 152 HB2 ASN 24 1HB ASN 24 -12.439 13.766 7.061 153 HB3 ASN 24 2HB ASN 24 -12.898 13.785 5.360 154 HD21 ASN 24 1HD2 ASN 24 -12.960 15.714 4.490 155 HD22 ASN 24 2HD2 ASN 24 -13.304 17.197 5.308 156 H ASN 25 H ASN 25 -14.477 12.706 4.236 157 HA ASN 25 HA ASN 25 -14.659 9.812 4.719 158 HB2 ASN 25 1HB ASN 25 -15.353 9.730 2.286 159 HB3 ASN 25 2HB ASN 25 -16.476 10.555 3.363 160 HD21 ASN 25 1HD2 ASN 25 -16.870 11.127 0.872 161 HD22 ASN 25 2HD2 ASN 25 -16.233 12.670 0.427 162 H SER 26 H SER 26 -12.176 11.007 5.083 163 HA SER 26 HA SER 26 -10.685 10.025 2.737 164 HB2 SER 26 1HB SER 26 -8.960 11.662 3.177 165 HB3 SER 26 2HB SER 26 -10.510 12.498 3.085 166 HG SER 26 HG SER 26 -8.886 11.986 5.312 167 H ALA 27 H ALA 27 -8.942 8.696 3.086 168 HA ALA 27 HA ALA 27 -8.538 7.804 5.867 169 HB1 ALA 27 1HB ALA 27 -7.708 5.665 4.499 170 HB2 ALA 27 2HB ALA 27 -9.387 5.894 4.992 171 HB3 ALA 27 3HB ALA 27 -8.888 6.293 3.348 172 H THR 28 H THR 28 -6.718 8.813 6.502 173 HA THR 28 HA THR 28 -4.508 9.275 4.727 174 HB THR 28 HB THR 28 -4.543 9.562 7.736 175 HG1 THR 28 1HG THR 28 -5.177 11.489 5.729 176 HG21 THR 28 1HG2 THR 28 -2.525 10.545 7.571 177 HG22 THR 28 2HG2 THR 28 -2.956 11.396 6.087 178 HG23 THR 28 3HG2 THR 28 -2.425 9.716 6.018 179 H LEU 29 H LEU 29 -2.869 7.949 4.310 180 HA LEU 29 HA LEU 29 -2.465 5.631 6.080 181 HB2 LEU 29 1HB LEU 29 -2.341 5.997 3.143 182 HB3 LEU 29 2HB LEU 29 -1.173 4.891 3.863 183 HG LEU 29 HG LEU 29 -3.229 3.797 2.977 184 HD11 LEU 29 1HD1 LEU 29 -3.339 3.294 5.881 185 HD12 LEU 29 2HD1 LEU 29 -1.753 3.155 5.123 186 HD13 LEU 29 3HD1 LEU 29 -3.097 2.175 4.539 187 HD21 LEU 29 1HD2 LEU 29 -4.946 4.329 5.186 188 HD22 LEU 29 2HD2 LEU 29 -5.243 4.583 3.466 189 HD23 LEU 29 3HD2 LEU 29 -4.501 5.860 4.432 190 H SER 30 H SER 30 -0.631 5.525 7.187 191 HA SER 30 HA SER 30 1.691 7.057 6.215 192 HB2 SER 30 1HB SER 30 2.243 7.698 8.469 193 HB3 SER 30 2HB SER 30 0.556 8.127 8.187 194 HG SER 30 HG SER 30 0.498 5.692 9.107 195 H TRP 31 H TRP 31 1.468 4.489 5.456 196 HA TRP 31 HA TRP 31 2.362 2.471 7.112 197 HB2 TRP 31 1HB TRP 31 3.101 1.317 5.110 198 HB3 TRP 31 2HB TRP 31 1.591 2.158 4.774 199 HD1 TRP 31 HD TRP 31 5.346 2.332 3.986 200 HE1 TRP 31 1HE TRP 31 5.670 3.783 1.885 201 HE3 TRP 31 3HE TRP 31 0.547 3.993 3.398 202 HZ2 TRP 31 2HZ TRP 31 4.099 5.416 0.202 203 HZ3 TRP 31 3HZ TRP 31 0.041 5.497 1.518 204 HH2 TRP 31 HH TRP 31 1.782 6.193 -0.046 205 H LYS 32 H LYS 32 4.567 1.378 6.925 206 HA LYS 32 HA LYS 32 6.838 3.095 6.522 207 HB2 LYS 32 1HB LYS 32 7.663 2.846 8.878 208 HB3 LYS 32 2HB LYS 32 6.271 3.906 8.699 209 HG2 LYS 32 1HG LYS 32 5.579 2.718 10.497 210 HG3 LYS 32 2HG LYS 32 4.968 1.657 9.226 211 HD2 LYS 32 1HD LYS 32 6.069 0.093 10.449 212 HD3 LYS 32 2HD LYS 32 7.430 0.645 9.470 213 HE2 LYS 32 1HE LYS 32 6.877 2.109 11.988 214 HE3 LYS 32 2HE LYS 32 7.539 0.482 12.130 215 HZ1 LYS 32 1HZ LYS 32 9.163 2.422 11.994 216 HZ2 LYS 32 2HZ LYS 32 8.775 2.488 10.349 217 HZ3 LYS 32 3HZ LYS 32 9.463 1.086 11.000 218 H GLN 33 H GLN 33 8.902 1.938 7.076 219 HA GLN 33 HA GLN 33 8.623 -0.866 6.315 220 HB2 GLN 33 1HB GLN 33 10.904 1.089 6.277 221 HB3 GLN 33 2HB GLN 33 11.192 -0.638 6.112 222 HG2 GLN 33 1HG GLN 33 9.170 0.631 4.345 223 HG3 GLN 33 2HG GLN 33 10.879 0.917 4.016 224 HE21 GLN 33 1HE2 GLN 33 9.762 -0.263 2.044 225 HE22 GLN 33 2HE2 GLN 33 10.047 -1.966 2.000 226 HA PRO 34 HA PRO 34 9.456 -2.335 10.386 227 HB2 PRO 34 1HB PRO 34 10.251 -4.851 9.747 228 HB3 PRO 34 2HB PRO 34 8.563 -4.330 9.679 229 HG2 PRO 34 1HG PRO 34 10.556 -4.586 7.461 230 HG3 PRO 34 2HG PRO 34 8.849 -5.064 7.491 231 HD2 PRO 34 1HD PRO 34 9.702 -2.776 6.319 232 HD3 PRO 34 2HD PRO 34 8.112 -2.916 7.096 233 HA PRO 35 HA PRO 35 13.837 -1.503 10.676 234 HB2 PRO 35 1HB PRO 35 13.959 -1.621 13.385 235 HB3 PRO 35 2HB PRO 35 13.318 -0.224 12.513 236 HG2 PRO 35 1HG PRO 35 11.845 -2.474 13.828 237 HG3 PRO 35 2HG PRO 35 11.489 -0.737 13.854 238 HD2 PRO 35 1HD PRO 35 10.174 -2.469 12.241 239 HD3 PRO 35 2HD PRO 35 10.485 -0.783 11.780 240 H LEU 36 H LEU 36 12.240 -4.360 11.091 241 HA LEU 36 HA LEU 36 14.436 -5.808 12.338 242 HB2 LEU 36 1HB LEU 36 11.930 -6.986 11.173 243 HB3 LEU 36 2HB LEU 36 13.004 -7.690 12.380 244 HG LEU 36 HG LEU 36 12.209 -5.551 13.755 245 HD11 LEU 36 1HD1 LEU 36 10.695 -4.436 12.503 246 HD12 LEU 36 2HD1 LEU 36 9.595 -5.636 13.181 247 HD13 LEU 36 3HD1 LEU 36 10.256 -5.862 11.562 248 HD21 LEU 36 1HD2 LEU 36 11.559 -7.246 15.029 249 HD22 LEU 36 2HD2 LEU 36 11.520 -8.321 13.631 250 HD23 LEU 36 3HD2 LEU 36 10.089 -7.383 14.064 251 H SER 37 H SER 37 13.425 -4.900 9.236 252 HA SER 37 HA SER 37 15.007 -7.050 7.992 253 HB2 SER 37 1HB SER 37 12.495 -6.495 7.363 254 HB3 SER 37 2HB SER 37 13.254 -5.247 6.375 255 HG SER 37 HG SER 37 12.958 -7.764 5.759 256 H THR 38 H THR 38 14.628 -3.595 8.319 257 HA THR 38 HA THR 38 15.843 -1.817 7.540 258 HB THR 38 HB THR 38 18.249 -1.986 7.878 259 HG1 THR 38 1HG THR 38 18.884 -4.263 8.647 260 HG21 THR 38 1HG2 THR 38 17.261 -1.675 9.939 261 HG22 THR 38 2HG2 THR 38 18.141 -3.178 10.214 262 HG23 THR 38 3HG2 THR 38 16.410 -3.218 9.882 263 H VAL 39 H VAL 39 14.744 -3.250 5.432 264 HA VAL 39 HA VAL 39 16.878 -3.433 3.428 265 HB VAL 39 HB VAL 39 13.979 -4.261 3.220 266 HG11 VAL 39 1HG1 VAL 39 14.854 -3.675 1.053 267 HG12 VAL 39 2HG1 VAL 39 16.301 -4.645 1.334 268 HG13 VAL 39 3HG1 VAL 39 14.730 -5.430 1.169 269 HG21 VAL 39 1HG2 VAL 39 15.026 -5.726 4.752 270 HG22 VAL 39 2HG2 VAL 39 15.005 -6.575 3.206 271 HG23 VAL 39 3HG2 VAL 39 16.492 -5.818 3.776 272 HA PRO 40 HA PRO 40 15.756 0.575 1.905 273 HB2 PRO 40 1HB PRO 40 17.234 0.481 -0.370 274 HB3 PRO 40 2HB PRO 40 17.944 0.750 1.227 275 HG2 PRO 40 1HG PRO 40 17.786 -1.774 -0.376 276 HG3 PRO 40 2HG PRO 40 19.146 -1.126 0.559 277 HD2 PRO 40 1HD PRO 40 17.539 -3.092 1.498 278 HD3 PRO 40 2HD PRO 40 18.298 -1.890 2.561 279 H ALA 41 H ALA 41 14.019 1.209 0.792 280 HA ALA 41 HA ALA 41 13.049 -0.518 -1.392 281 HB1 ALA 41 1HB ALA 41 11.245 1.314 0.135 282 HB2 ALA 41 2HB ALA 41 10.853 -0.153 -0.762 283 HB3 ALA 41 3HB ALA 41 11.678 -0.264 0.792 284 H ASP 42 H ASP 42 11.875 0.573 -3.120 285 HA ASP 42 HA ASP 42 13.067 3.190 -3.698 286 HB2 ASP 42 1HB ASP 42 13.304 1.170 -5.273 287 HB3 ASP 42 2HB ASP 42 11.613 1.451 -5.680 288 H GLY 43 H GLY 43 10.007 1.539 -3.326 289 HA2 GLY 43 1HA GLY 43 8.636 4.035 -2.965 290 HA3 GLY 43 2HA GLY 43 8.202 3.245 -4.474 291 H TYR 44 H TYR 44 6.047 3.322 -3.378 292 HA TYR 44 HA TYR 44 5.567 0.755 -2.107 293 HB2 TYR 44 1HB TYR 44 4.674 3.338 -0.809 294 HB3 TYR 44 2HB TYR 44 4.274 1.714 -0.259 295 HD1 TYR 44 2HD TYR 44 7.275 3.808 -1.026 296 HD2 TYR 44 1HD TYR 44 5.550 0.793 1.432 297 HE1 TYR 44 2HE TYR 44 9.306 3.784 0.361 298 HE2 TYR 44 1HE TYR 44 7.576 0.762 2.826 299 HH TYR 44 HH TYR 44 10.291 1.569 2.145 300 H ILE 45 H ILE 45 3.851 -0.150 -3.020 301 HA ILE 45 HA ILE 45 1.977 1.561 -4.494 302 HB ILE 45 HB ILE 45 2.433 -1.417 -4.703 303 HG12 ILE 45 1HG1 ILE 45 3.010 0.545 -6.886 304 HG13 ILE 45 2HG1 ILE 45 4.170 0.368 -5.574 305 HG21 ILE 45 1HG2 ILE 45 0.811 -1.530 -6.337 306 HG22 ILE 45 2HG2 ILE 45 0.102 -0.370 -5.215 307 HG23 ILE 45 3HG2 ILE 45 0.892 0.197 -6.686 308 HD11 ILE 45 1HD1 ILE 45 4.585 -1.015 -7.635 309 HD12 ILE 45 2HD1 ILE 45 4.564 -1.892 -6.104 310 HD13 ILE 45 3HD1 ILE 45 3.168 -1.960 -7.179 311 H LEU 46 H LEU 46 -0.023 1.862 -3.773 312 HA LEU 46 HA LEU 46 -0.962 0.241 -1.523 313 HB2 LEU 46 1HB LEU 46 -1.580 2.967 -2.552 314 HB3 LEU 46 2HB LEU 46 -2.809 2.115 -1.619 315 HG LEU 46 HG LEU 46 -0.033 2.498 -0.545 316 HD11 LEU 46 1HD1 LEU 46 -0.373 4.706 -0.600 317 HD12 LEU 46 2HD1 LEU 46 -1.535 4.414 0.694 318 HD13 LEU 46 3HD1 LEU 46 -2.087 4.531 -0.977 319 HD21 LEU 46 1HD2 LEU 46 -2.740 2.065 0.712 320 HD22 LEU 46 2HD2 LEU 46 -1.245 2.348 1.604 321 HD23 LEU 46 3HD2 LEU 46 -1.421 0.899 0.612 322 H GLU 47 H GLU 47 -3.250 -0.384 -1.462 323 HA GLU 47 HA GLU 47 -4.656 -0.552 -3.986 324 HB2 GLU 47 1HB GLU 47 -3.838 -3.085 -2.555 325 HB3 GLU 47 2HB GLU 47 -4.811 -2.977 -4.015 326 HG2 GLU 47 1HG GLU 47 -2.695 -3.567 -4.773 327 HG3 GLU 47 2HG GLU 47 -2.794 -1.833 -5.071 328 H LEU 48 H LEU 48 -6.830 -0.720 -3.725 329 HA LEU 48 HA LEU 48 -7.958 -1.622 -1.214 330 HB2 LEU 48 1HB LEU 48 -7.682 0.560 -0.496 331 HB3 LEU 48 2HB LEU 48 -7.974 1.230 -2.100 332 HG LEU 48 HG LEU 48 -10.225 -0.115 -0.683 333 HD11 LEU 48 1HD1 LEU 48 -9.334 2.707 -0.109 334 HD12 LEU 48 2HD1 LEU 48 -9.204 1.349 1.009 335 HD13 LEU 48 3HD1 LEU 48 -10.792 1.919 0.496 336 HD21 LEU 48 1HD2 LEU 48 -11.421 1.816 -1.826 337 HD22 LEU 48 2HD2 LEU 48 -10.723 0.581 -2.874 338 HD23 LEU 48 3HD2 LEU 48 -9.898 2.126 -2.659 339 H ASP 49 H ASP 49 -9.958 -2.467 -1.465 340 HA ASP 49 HA ASP 49 -10.996 -2.647 -4.160 341 HB2 ASP 49 1HB ASP 49 -12.658 -4.207 -3.111 342 HB3 ASP 49 2HB ASP 49 -10.977 -4.680 -2.882 343 H ASP 50 H ASP 50 -13.275 -2.281 -4.645 344 HA ASP 50 HA ASP 50 -14.146 0.260 -3.611 345 HB2 ASP 50 1HB ASP 50 -15.842 0.181 -5.321 346 HB3 ASP 50 2HB ASP 50 -14.324 -0.373 -6.022 347 H GLY 51 H GLY 51 -14.145 -1.557 -1.548 348 HA2 GLY 51 1HA GLY 51 -15.459 -2.492 0.093 349 HA3 GLY 51 2HA GLY 51 -16.584 -1.210 -0.332 350 H ASN 52 H ASN 52 -15.668 -3.704 -2.599 351 HA ASN 52 HA ASN 52 -18.432 -4.699 -2.514 352 HB2 ASN 52 1HB ASN 52 -17.774 -3.804 -4.677 353 HB3 ASN 52 2HB ASN 52 -16.355 -4.846 -4.709 354 HD21 ASN 52 1HD2 ASN 52 -19.786 -5.363 -3.966 355 HD22 ASN 52 2HD2 ASN 52 -20.005 -6.666 -5.078 356 H GLY 53 H GLY 53 -15.057 -5.697 -2.445 357 HA2 GLY 53 1HA GLY 53 -14.338 -7.566 -1.150 358 HA3 GLY 53 2HA GLY 53 -15.926 -8.287 -1.365 359 H GLY 54 H GLY 54 -13.924 -6.889 -3.912 360 HA2 GLY 54 1HA GLY 54 -13.791 -9.578 -5.127 361 HA3 GLY 54 2HA GLY 54 -13.862 -8.079 -6.041 362 H GLN 55 H GLN 55 -12.005 -7.464 -6.905 363 HA GLN 55 HA GLN 55 -9.511 -8.492 -5.748 364 HB2 GLN 55 1HB GLN 55 -8.501 -8.150 -7.897 365 HB3 GLN 55 2HB GLN 55 -10.023 -8.997 -8.139 366 HG2 GLN 55 1HG GLN 55 -11.081 -7.077 -8.983 367 HG3 GLN 55 2HG GLN 55 -9.794 -6.019 -8.407 368 HE21 GLN 55 1HE2 GLN 55 -11.072 -7.083 -11.108 369 HE22 GLN 55 2HE2 GLN 55 -9.679 -7.215 -12.121 370 H PHE 56 H PHE 56 -7.727 -7.129 -5.408 371 HA PHE 56 HA PHE 56 -8.473 -4.368 -4.827 372 HB2 PHE 56 1HB PHE 56 -5.984 -5.921 -4.087 373 HB3 PHE 56 2HB PHE 56 -6.373 -4.293 -3.542 374 HD1 PHE 56 1HD PHE 56 -7.833 -7.723 -3.577 375 HD2 PHE 56 2HD PHE 56 -7.390 -4.035 -1.498 376 HE1 PHE 56 1HE PHE 56 -9.049 -8.664 -1.655 377 HE2 PHE 56 2HE PHE 56 -8.604 -4.970 0.426 378 HZ PHE 56 HZ PHE 56 -9.435 -7.288 0.350 379 H ARG 57 H ARG 57 -7.854 -2.703 -6.038 380 HA ARG 57 HA ARG 57 -5.823 -3.180 -8.114 381 HB2 ARG 57 1HB ARG 57 -6.889 -1.516 -9.447 382 HB3 ARG 57 2HB ARG 57 -8.157 -2.571 -8.837 383 HG2 ARG 57 1HG ARG 57 -7.493 -0.101 -7.316 384 HG3 ARG 57 2HG ARG 57 -8.429 0.033 -8.807 385 HD2 ARG 57 1HD ARG 57 -9.845 -1.888 -7.736 386 HD3 ARG 57 2HD ARG 57 -9.131 -1.307 -6.232 387 HE ARG 57 HE ARG 57 -10.578 0.446 -6.317 388 HH11 ARG 57 2HH1 ARG 57 -10.150 -0.777 -9.548 389 HH12 ARG 57 1HH1 ARG 57 -11.306 0.306 -10.251 390 HH21 ARG 57 2HH2 ARG 57 -12.102 1.877 -7.230 391 HH22 ARG 57 1HH2 ARG 57 -12.415 1.815 -8.932 392 H GLU 58 H GLU 58 -4.408 -1.382 -8.668 393 HA GLU 58 HA GLU 58 -3.155 -0.276 -6.397 394 HB2 GLU 58 1HB GLU 58 -2.865 0.471 -9.313 395 HB3 GLU 58 2HB GLU 58 -1.778 0.979 -8.028 396 HG2 GLU 58 1HG GLU 58 -1.043 -1.251 -7.655 397 HG3 GLU 58 2HG GLU 58 -2.293 -1.900 -8.715 398 H VAL 59 H VAL 59 -3.270 1.689 -5.442 399 HA VAL 59 HA VAL 59 -5.233 3.599 -6.536 400 HB VAL 59 HB VAL 59 -5.673 4.312 -4.204 401 HG11 VAL 59 1HG1 VAL 59 -6.741 1.992 -3.541 402 HG12 VAL 59 2HG1 VAL 59 -7.354 2.929 -4.905 403 HG13 VAL 59 3HG1 VAL 59 -6.268 1.569 -5.186 404 HG21 VAL 59 1HG2 VAL 59 -3.560 3.584 -3.212 405 HG22 VAL 59 2HG2 VAL 59 -4.939 2.902 -2.349 406 HG23 VAL 59 3HG2 VAL 59 -4.017 1.899 -3.468 407 H TYR 60 H TYR 60 -2.065 3.094 -5.263 408 HA TYR 60 HA TYR 60 -1.215 5.689 -6.123 409 HB2 TYR 60 1HB TYR 60 -1.786 6.669 -4.140 410 HB3 TYR 60 2HB TYR 60 -1.707 5.156 -3.245 411 HD1 TYR 60 1HD TYR 60 0.603 4.218 -2.692 412 HD2 TYR 60 2HD TYR 60 -0.018 8.204 -4.045 413 HE1 TYR 60 1HE TYR 60 2.800 4.860 -1.791 414 HE2 TYR 60 2HE TYR 60 2.177 8.857 -3.149 415 HH TYR 60 HH TYR 60 4.540 6.784 -2.380 416 H VAL 61 H VAL 61 1.062 5.909 -6.170 417 HA VAL 61 HA VAL 61 2.800 3.900 -5.122 418 HB VAL 61 HB VAL 61 1.858 2.636 -7.012 419 HG11 VAL 61 1HG1 VAL 61 1.493 3.532 -9.014 420 HG12 VAL 61 2HG1 VAL 61 1.981 5.088 -8.340 421 HG13 VAL 61 3HG1 VAL 61 3.169 4.063 -9.146 422 HG21 VAL 61 1HG2 VAL 61 4.162 2.228 -6.300 423 HG22 VAL 61 2HG2 VAL 61 3.977 1.983 -8.037 424 HG23 VAL 61 3HG2 VAL 61 4.732 3.457 -7.430 425 H GLY 62 H GLY 62 4.621 4.940 -4.670 426 HA2 GLY 62 1HA GLY 62 6.016 6.533 -6.572 427 HA3 GLY 62 2HA GLY 62 5.207 7.548 -5.388 428 H LYS 63 H LYS 63 6.746 8.288 -4.075 429 HA LYS 63 HA LYS 63 8.524 6.312 -2.810 430 HB2 LYS 63 1HB LYS 63 10.324 7.975 -2.793 431 HB3 LYS 63 2HB LYS 63 9.814 7.605 -4.435 432 HG2 LYS 63 1HG LYS 63 8.935 9.678 -4.781 433 HG3 LYS 63 2HG LYS 63 8.556 9.924 -3.074 434 HD2 LYS 63 1HD LYS 63 10.910 10.270 -2.579 435 HD3 LYS 63 2HD LYS 63 11.332 9.944 -4.262 436 HE2 LYS 63 1HE LYS 63 10.540 11.963 -4.993 437 HE3 LYS 63 2HE LYS 63 9.348 12.086 -3.701 438 HZ1 LYS 63 1HZ LYS 63 11.889 13.244 -3.823 439 HZ2 LYS 63 2HZ LYS 63 11.901 12.127 -2.554 440 HZ3 LYS 63 3HZ LYS 63 10.746 13.363 -2.582 441 H GLU 64 H GLU 64 6.168 8.636 -2.416 442 HA GLU 64 HA GLU 64 6.956 9.900 -0.022 443 HB2 GLU 64 1HB GLU 64 4.209 9.339 -1.147 444 HB3 GLU 64 2HB GLU 64 4.508 10.355 0.257 445 HG2 GLU 64 1HG GLU 64 4.415 11.960 -1.334 446 HG3 GLU 64 2HG GLU 64 6.134 11.580 -1.427 447 H THR 65 H THR 65 5.777 9.600 2.085 448 HA THR 65 HA THR 65 5.551 6.724 2.690 449 HB THR 65 HB THR 65 6.825 8.965 4.182 450 HG1 THR 65 1HG THR 65 8.170 7.035 4.747 451 HG21 THR 65 1HG2 THR 65 6.682 7.540 6.272 452 HG22 THR 65 2HG2 THR 65 5.383 6.655 5.471 453 HG23 THR 65 3HG2 THR 65 5.201 8.376 5.808 454 H MET 66 H MET 66 3.979 9.760 2.741 455 HA MET 66 HA MET 66 1.741 8.569 4.236 456 HB2 MET 66 1HB MET 66 2.716 10.184 5.709 457 HB3 MET 66 2HB MET 66 2.817 11.382 4.425 458 HG2 MET 66 1HG MET 66 0.237 11.144 4.350 459 HG3 MET 66 2HG MET 66 0.434 10.448 5.957 460 HE1 MET 66 1HE MET 66 -0.584 13.696 7.480 461 HE2 MET 66 2HE MET 66 -1.228 12.253 6.696 462 HE3 MET 66 3HE MET 66 -0.031 12.098 7.983 463 H CYS 67 H CYS 67 0.012 8.365 2.990 464 HA CYS 67 HA CYS 67 -0.704 10.500 1.140 465 HB2 CYS 67 1HB CYS 67 0.676 8.859 -0.149 466 HB3 CYS 67 2HB CYS 67 -0.520 7.624 0.224 467 HG CYS 67 HG CYS 67 -0.608 10.058 -2.068 468 H THR 68 H THR 68 -2.880 10.725 0.842 469 HA THR 68 HA THR 68 -4.617 8.730 2.140 470 HB THR 68 HB THR 68 -4.292 10.927 3.428 471 HG1 THR 68 1HG THR 68 -7.010 10.546 2.816 472 HG21 THR 68 1HG2 THR 68 -4.493 12.363 1.385 473 HG22 THR 68 2HG2 THR 68 -5.554 12.835 2.712 474 HG23 THR 68 3HG2 THR 68 -6.206 11.950 1.332 475 H VAL 69 H VAL 69 -6.673 8.424 1.237 476 HA VAL 69 HA VAL 69 -6.873 9.280 -1.561 477 HB VAL 69 HB VAL 69 -6.966 6.863 -1.152 478 HG11 VAL 69 1HG1 VAL 69 -9.651 6.947 0.046 479 HG12 VAL 69 2HG1 VAL 69 -8.300 5.856 0.358 480 HG13 VAL 69 3HG1 VAL 69 -8.335 7.454 1.104 481 HG21 VAL 69 1HG2 VAL 69 -8.602 8.335 -2.779 482 HG22 VAL 69 2HG2 VAL 69 -8.407 6.584 -2.846 483 HG23 VAL 69 3HG2 VAL 69 -9.748 7.288 -1.942 484 H ASP 70 H ASP 70 -8.686 10.283 -2.382 485 HA ASP 70 HA ASP 70 -10.581 11.318 -0.377 486 HB2 ASP 70 1HB ASP 70 -9.500 13.224 -1.137 487 HB3 ASP 70 2HB ASP 70 -9.301 12.587 -2.767 488 H GLY 71 H GLY 71 -12.772 11.363 -0.859 489 HA2 GLY 71 1HA GLY 71 -14.708 10.946 -2.086 490 HA3 GLY 71 2HA GLY 71 -13.711 10.427 -3.437 491 H LEU 72 H LEU 72 -14.512 9.392 -0.120 492 HA LEU 72 HA LEU 72 -14.499 6.613 -1.093 493 HB2 LEU 72 1HB LEU 72 -14.006 7.777 1.635 494 HB3 LEU 72 2HB LEU 72 -14.301 6.060 1.373 495 HG LEU 72 HG LEU 72 -12.014 7.603 0.154 496 HD11 LEU 72 1HD1 LEU 72 -11.952 7.419 2.658 497 HD12 LEU 72 2HD1 LEU 72 -10.598 6.670 1.812 498 HD13 LEU 72 3HD1 LEU 72 -11.899 5.667 2.454 499 HD21 LEU 72 1HD2 LEU 72 -12.470 5.738 -1.205 500 HD22 LEU 72 2HD2 LEU 72 -12.798 4.702 0.184 501 HD23 LEU 72 3HD2 LEU 72 -11.149 5.233 -0.151 502 H HIS 73 H HIS 73 -16.360 5.539 -1.155 503 HA HIS 73 HA HIS 73 -18.833 6.721 -0.660 504 HB2 HIS 73 1HB HIS 73 -18.179 4.584 -2.029 505 HB3 HIS 73 2HB HIS 73 -18.513 3.745 -0.517 506 HD1 HIS 73 1HD HIS 73 -20.718 2.669 -0.857 507 HD2 HIS 73 2HD HIS 73 -20.677 6.594 -2.220 508 HE1 HIS 73 1HE HIS 73 -23.083 3.162 -1.557 509 HE2 HIS 73 2HE HIS 73 -23.016 5.514 -2.457 510 H PHE 74 H PHE 74 -20.523 5.699 0.842 511 HA PHE 74 HA PHE 74 -19.330 5.359 3.515 512 HB2 PHE 74 1HB PHE 74 -21.727 6.925 2.613 513 HB3 PHE 74 2HB PHE 74 -21.626 6.330 4.268 514 HD1 PHE 74 2HD PHE 74 -20.032 8.524 1.772 515 HD2 PHE 74 1HD PHE 74 -20.225 7.368 5.864 516 HE1 PHE 74 2HE PHE 74 -18.666 10.477 2.384 517 HE2 PHE 74 1HE PHE 74 -18.860 9.320 6.483 518 HZ PHE 74 HZ PHE 74 -18.078 10.877 4.742 519 H ASN 75 H ASN 75 -20.997 4.348 5.080 520 HA ASN 75 HA ASN 75 -21.937 2.354 5.689 521 HB2 ASN 75 1HB ASN 75 -23.660 3.440 3.497 522 HB3 ASN 75 2HB ASN 75 -24.024 1.848 4.156 523 HD21 ASN 75 1HD2 ASN 75 -23.759 1.938 6.715 524 HD22 ASN 75 2HD2 ASN 75 -24.695 3.189 7.453 525 H SER 76 H SER 76 -19.692 1.712 4.473 526 HA SER 76 HA SER 76 -20.226 -0.842 3.343 527 HB2 SER 76 1HB SER 76 -19.357 1.383 1.515 528 HB3 SER 76 2HB SER 76 -18.910 -0.289 1.178 529 HG SER 76 HG SER 76 -20.803 -0.180 0.192 530 H THR 77 H THR 77 -18.623 -2.138 3.947 531 HA THR 77 HA THR 77 -16.359 -1.180 5.328 532 HB THR 77 HB THR 77 -16.763 -3.934 4.145 533 HG1 THR 77 1HG THR 77 -18.135 -4.238 5.721 534 HG21 THR 77 1HG2 THR 77 -14.549 -3.941 4.782 535 HG22 THR 77 2HG2 THR 77 -15.324 -4.432 6.288 536 HG23 THR 77 3HG2 THR 77 -14.803 -2.761 6.067 537 H TYR 78 H TYR 78 -14.276 -0.852 4.729 538 HA TYR 78 HA TYR 78 -13.597 -1.308 1.899 539 HB2 TYR 78 1HB TYR 78 -13.345 1.137 3.567 540 HB3 TYR 78 2HB TYR 78 -12.024 0.790 2.457 541 HD1 TYR 78 2HD TYR 78 -12.564 0.505 -0.003 542 HD2 TYR 78 1HD TYR 78 -15.357 2.079 2.793 543 HE1 TYR 78 2HE TYR 78 -13.855 1.483 -1.853 544 HE2 TYR 78 1HE TYR 78 -16.658 3.061 0.951 545 HH TYR 78 HH TYR 78 -16.534 3.652 -1.280 546 H ASN 79 H ASN 79 -11.841 -2.502 1.573 547 HA ASN 79 HA ASN 79 -9.990 -2.897 3.830 548 HB2 ASN 79 1HB ASN 79 -10.343 -4.789 1.508 549 HB3 ASN 79 2HB ASN 79 -9.577 -5.107 3.062 550 HD21 ASN 79 1HD2 ASN 79 -10.742 -6.152 4.497 551 HD22 ASN 79 2HD2 ASN 79 -12.466 -6.271 4.517 552 H ALA 80 H ALA 80 -8.119 -1.883 3.589 553 HA ALA 80 HA ALA 80 -7.043 -1.534 0.867 554 HB1 ALA 80 1HB ALA 80 -6.038 0.494 1.533 555 HB2 ALA 80 2HB ALA 80 -7.682 0.541 2.172 556 HB3 ALA 80 3HB ALA 80 -6.330 0.167 3.241 557 H ARG 81 H ARG 81 -4.599 -1.321 0.843 558 HA ARG 81 HA ARG 81 -3.101 -2.594 2.917 559 HB2 ARG 81 1HB ARG 81 -2.630 -4.664 1.981 560 HB3 ARG 81 2HB ARG 81 -4.336 -4.469 1.602 561 HG2 ARG 81 1HG ARG 81 -3.469 -3.477 -0.630 562 HG3 ARG 81 2HG ARG 81 -1.969 -4.305 -0.207 563 HD2 ARG 81 1HD ARG 81 -4.610 -5.414 -0.969 564 HD3 ARG 81 2HD ARG 81 -2.988 -5.972 -1.377 565 HE ARG 81 HE ARG 81 -2.918 -7.178 0.619 566 HH11 ARG 81 2HH1 ARG 81 -5.865 -5.346 0.332 567 HH12 ARG 81 1HH1 ARG 81 -6.674 -6.201 1.603 568 HH21 ARG 81 2HH2 ARG 81 -3.972 -8.311 2.295 569 HH22 ARG 81 1HH2 ARG 81 -5.596 -7.887 2.720 570 H VAL 82 H VAL 82 -0.916 -2.261 2.695 571 HA VAL 82 HA VAL 82 -0.046 -0.899 0.229 572 HB VAL 82 HB VAL 82 -0.296 0.575 2.302 573 HG11 VAL 82 1HG1 VAL 82 2.369 -0.292 3.205 574 HG12 VAL 82 2HG1 VAL 82 0.983 0.280 4.135 575 HG13 VAL 82 3HG1 VAL 82 1.043 -1.393 3.577 576 HG21 VAL 82 1HG2 VAL 82 2.525 0.751 1.447 577 HG22 VAL 82 2HG2 VAL 82 1.317 0.759 0.163 578 HG23 VAL 82 3HG2 VAL 82 1.257 1.977 1.436 579 H LYS 83 H LYS 83 2.001 -1.354 -0.539 580 HA LYS 83 HA LYS 83 3.610 -3.319 0.921 581 HB2 LYS 83 1HB LYS 83 3.904 -4.691 -1.071 582 HB3 LYS 83 2HB LYS 83 2.200 -4.587 -0.648 583 HG2 LYS 83 1HG LYS 83 1.674 -3.335 -2.489 584 HG3 LYS 83 2HG LYS 83 3.298 -2.656 -2.628 585 HD2 LYS 83 1HD LYS 83 4.077 -4.967 -3.277 586 HD3 LYS 83 2HD LYS 83 2.376 -5.422 -3.386 587 HE2 LYS 83 1HE LYS 83 3.524 -3.082 -4.884 588 HE3 LYS 83 2HE LYS 83 3.521 -4.717 -5.544 589 HZ1 LYS 83 1HZ LYS 83 1.098 -3.240 -4.669 590 HZ2 LYS 83 2HZ LYS 83 1.133 -4.765 -5.399 591 HZ3 LYS 83 3HZ LYS 83 1.606 -3.398 -6.275 592 H ALA 84 H ALA 84 5.756 -3.675 -0.330 593 HA ALA 84 HA ALA 84 6.709 -1.031 -1.219 594 HB1 ALA 84 1HB ALA 84 8.877 -1.596 -0.330 595 HB2 ALA 84 2HB ALA 84 7.657 -1.828 0.923 596 HB3 ALA 84 3HB ALA 84 8.327 -3.222 0.075 597 H PHE 85 H PHE 85 8.262 -0.941 -2.903 598 HA PHE 85 HA PHE 85 8.824 -3.357 -4.408 599 HB2 PHE 85 1HB PHE 85 7.663 -2.856 -6.336 600 HB3 PHE 85 2HB PHE 85 6.550 -2.229 -5.125 601 HD1 PHE 85 1HD PHE 85 9.106 -1.306 -7.610 602 HD2 PHE 85 2HD PHE 85 6.063 0.086 -4.980 603 HE1 PHE 85 1HE PHE 85 9.194 0.905 -8.685 604 HE2 PHE 85 2HE PHE 85 6.145 2.299 -6.051 605 HZ PHE 85 HZ PHE 85 7.711 2.711 -7.906 606 H ASN 86 H ASN 86 10.624 -3.192 -5.713 607 HA ASN 86 HA ASN 86 11.834 -0.654 -6.306 608 HB2 ASN 86 1HB ASN 86 13.864 -0.942 -5.031 609 HB3 ASN 86 2HB ASN 86 12.495 -1.027 -3.926 610 HD21 ASN 86 1HD2 ASN 86 13.826 -2.125 -2.438 611 HD22 ASN 86 2HD2 ASN 86 14.188 -3.803 -2.636 612 H LYS 87 H LYS 87 14.302 -1.258 -7.021 613 HA LYS 87 HA LYS 87 14.255 -2.400 -9.445 614 HB2 LYS 87 1HB LYS 87 16.238 -1.392 -8.065 615 HB3 LYS 87 2HB LYS 87 16.589 -3.074 -7.690 616 HG2 LYS 87 1HG LYS 87 16.597 -3.500 -10.177 617 HG3 LYS 87 2HG LYS 87 16.561 -1.747 -10.385 618 HD2 LYS 87 1HD LYS 87 18.620 -2.979 -8.605 619 HD3 LYS 87 2HD LYS 87 18.842 -3.028 -10.356 620 HE2 LYS 87 1HE LYS 87 18.262 -0.494 -8.838 621 HE3 LYS 87 2HE LYS 87 19.897 -1.071 -9.158 622 HZ1 LYS 87 1HZ LYS 87 19.499 -0.920 -11.501 623 HZ2 LYS 87 2HZ LYS 87 19.099 0.564 -10.796 624 HZ3 LYS 87 3HZ LYS 87 17.876 -0.509 -11.259 625 H THR 88 H THR 88 14.861 -4.211 -6.444 626 HA THR 88 HA THR 88 15.295 -6.727 -7.405 627 HB THR 88 HB THR 88 13.517 -6.116 -5.037 628 HG1 THR 88 1HG THR 88 16.355 -6.304 -5.244 629 HG21 THR 88 1HG2 THR 88 14.067 -8.546 -6.149 630 HG22 THR 88 2HG2 THR 88 13.677 -8.284 -4.449 631 HG23 THR 88 3HG2 THR 88 15.361 -8.398 -4.961 632 H GLY 89 H GLY 89 12.048 -5.688 -6.337 633 HA2 GLY 89 1HA GLY 89 10.694 -6.428 -8.678 634 HA3 GLY 89 2HA GLY 89 10.698 -7.812 -7.595 635 H VAL 90 H VAL 90 9.224 -7.908 -6.004 636 HA VAL 90 HA VAL 90 7.965 -5.534 -4.957 637 HB VAL 90 HB VAL 90 5.647 -6.721 -5.515 638 HG11 VAL 90 1HG1 VAL 90 5.353 -5.127 -7.321 639 HG12 VAL 90 2HG1 VAL 90 6.273 -4.394 -6.006 640 HG13 VAL 90 3HG1 VAL 90 7.100 -4.937 -7.466 641 HG21 VAL 90 1HG2 VAL 90 7.424 -7.448 -7.842 642 HG22 VAL 90 2HG2 VAL 90 6.595 -8.567 -6.760 643 HG23 VAL 90 3HG2 VAL 90 5.662 -7.537 -7.846 644 H SER 91 H SER 91 6.978 -5.875 -2.992 645 HA SER 91 HA SER 91 7.359 -8.553 -1.854 646 HB2 SER 91 1HB SER 91 7.440 -5.792 -0.746 647 HB3 SER 91 2HB SER 91 6.867 -7.074 0.320 648 HG SER 91 HG SER 91 9.099 -6.875 0.514 649 HA PRO 92 HA PRO 92 3.077 -9.325 -1.304 650 HB2 PRO 92 1HB PRO 92 2.987 -10.452 1.165 651 HB3 PRO 92 2HB PRO 92 3.658 -11.280 -0.246 652 HG2 PRO 92 1HG PRO 92 5.080 -9.823 1.949 653 HG3 PRO 92 2HG PRO 92 5.488 -11.372 1.186 654 HD2 PRO 92 1HD PRO 92 6.730 -9.055 0.535 655 HD3 PRO 92 2HD PRO 92 6.463 -10.358 -0.640 656 H TYR 93 H TYR 93 1.225 -8.397 -0.537 657 HA TYR 93 HA TYR 93 1.315 -5.880 0.646 658 HB2 TYR 93 1HB TYR 93 -1.019 -7.804 0.651 659 HB3 TYR 93 2HB TYR 93 -1.107 -6.059 0.866 660 HD1 TYR 93 1HD TYR 93 0.272 -4.791 -1.160 661 HD2 TYR 93 2HD TYR 93 -1.733 -8.536 -1.407 662 HE1 TYR 93 1HE TYR 93 0.038 -4.499 -3.591 663 HE2 TYR 93 2HE TYR 93 -1.971 -8.255 -3.838 664 HH TYR 93 HH TYR 93 -0.963 -5.279 -5.451 665 H SER 94 H SER 94 0.109 -5.292 2.704 666 HA SER 94 HA SER 94 1.175 -6.951 4.871 667 HB2 SER 94 1HB SER 94 0.589 -4.855 6.254 668 HB3 SER 94 2HB SER 94 1.930 -4.732 5.115 669 HG SER 94 HG SER 94 -0.540 -4.108 4.065 670 H LYS 95 H LYS 95 -0.222 -6.726 6.968 671 HA LYS 95 HA LYS 95 -2.425 -8.286 6.817 672 HB2 LYS 95 1HB LYS 95 -1.310 -7.486 8.914 673 HB3 LYS 95 2HB LYS 95 -2.182 -5.969 8.741 674 HG2 LYS 95 1HG LYS 95 -4.299 -7.133 8.954 675 HG3 LYS 95 2HG LYS 95 -3.455 -8.680 9.058 676 HD2 LYS 95 1HD LYS 95 -3.971 -8.081 11.282 677 HD3 LYS 95 2HD LYS 95 -2.254 -7.725 11.080 678 HE2 LYS 95 1HE LYS 95 -2.762 -5.374 10.740 679 HE3 LYS 95 2HE LYS 95 -4.489 -5.710 10.853 680 HZ1 LYS 95 1HZ LYS 95 -3.380 -6.761 13.141 681 HZ2 LYS 95 2HZ LYS 95 -4.299 -5.346 13.017 682 HZ3 LYS 95 3HZ LYS 95 -2.611 -5.268 12.936 683 H THR 96 H THR 96 -4.553 -8.110 6.341 684 HA THR 96 HA THR 96 -5.444 -6.034 4.675 685 HB THR 96 HB THR 96 -7.180 -7.965 6.225 686 HG1 THR 96 1HG THR 96 -7.001 -9.017 3.987 687 HG21 THR 96 1HG2 THR 96 -7.826 -6.921 3.509 688 HG22 THR 96 2HG2 THR 96 -8.096 -5.873 4.902 689 HG23 THR 96 3HG2 THR 96 -8.905 -7.437 4.804 690 H LEU 97 H LEU 97 -5.915 -4.016 5.222 691 HA LEU 97 HA LEU 97 -6.766 -3.420 7.956 692 HB2 LEU 97 1HB LEU 97 -4.928 -2.106 7.170 693 HB3 LEU 97 2HB LEU 97 -5.801 -1.674 5.701 694 HG LEU 97 HG LEU 97 -7.476 -0.557 7.369 695 HD11 LEU 97 1HD1 LEU 97 -5.040 -1.032 9.026 696 HD12 LEU 97 2HD1 LEU 97 -6.743 -1.139 9.471 697 HD13 LEU 97 3HD1 LEU 97 -5.984 0.439 9.259 698 HD21 LEU 97 1HD2 LEU 97 -6.604 1.397 6.677 699 HD22 LEU 97 2HD2 LEU 97 -5.539 0.365 5.722 700 HD23 LEU 97 3HD2 LEU 97 -4.988 1.009 7.269 701 H VAL 98 H VAL 98 -8.854 -3.227 8.380 702 HA VAL 98 HA VAL 98 -10.701 -2.574 6.191 703 HB VAL 98 HB VAL 98 -11.332 -3.742 8.905 704 HG11 VAL 98 1HG1 VAL 98 -13.438 -3.216 8.437 705 HG12 VAL 98 2HG1 VAL 98 -12.975 -2.586 6.855 706 HG13 VAL 98 3HG1 VAL 98 -13.357 -4.297 7.046 707 HG21 VAL 98 1HG2 VAL 98 -11.336 -5.161 6.250 708 HG22 VAL 98 2HG2 VAL 98 -9.971 -5.200 7.366 709 HG23 VAL 98 3HG2 VAL 98 -11.530 -5.864 7.856 710 H LEU 99 H LEU 99 -11.774 -0.702 6.156 711 HA LEU 99 HA LEU 99 -11.666 0.995 8.563 712 HB2 LEU 99 1HB LEU 99 -11.831 1.876 5.685 713 HB3 LEU 99 2HB LEU 99 -11.704 2.925 7.096 714 HG LEU 99 HG LEU 99 -9.457 1.589 7.460 715 HD11 LEU 99 1HD1 LEU 99 -10.242 0.333 5.206 716 HD12 LEU 99 2HD1 LEU 99 -8.559 0.520 5.697 717 HD13 LEU 99 3HD1 LEU 99 -9.263 1.633 4.525 718 HD21 LEU 99 1HD2 LEU 99 -8.599 3.595 7.045 719 HD22 LEU 99 2HD2 LEU 99 -10.176 4.082 6.424 720 HD23 LEU 99 3HD2 LEU 99 -8.951 3.450 5.323 721 H GLN 100 H GLN 100 -13.652 -0.061 9.244 722 HA GLN 100 HA GLN 100 -16.034 -0.109 7.821 723 HB2 GLN 100 1HB GLN 100 -15.364 -0.030 10.735 724 HB3 GLN 100 2HB GLN 100 -17.042 0.140 10.239 725 HG2 GLN 100 1HG GLN 100 -16.968 -2.107 10.508 726 HG3 GLN 100 2HG GLN 100 -16.467 -2.011 8.821 727 HE21 GLN 100 1HE2 GLN 100 -15.772 -4.243 9.883 728 HE22 GLN 100 2HE2 GLN 100 -14.110 -4.294 10.351 729 H THR 101 H THR 101 -17.084 1.509 6.896 730 HA THR 101 HA THR 101 -16.741 4.232 7.822 731 HB THR 101 HB THR 101 -18.312 4.749 5.882 732 HG1 THR 101 1HG THR 101 -17.716 2.150 4.966 733 HG21 THR 101 1HG2 THR 101 -15.619 4.394 5.962 734 HG22 THR 101 2HG2 THR 101 -16.504 4.981 4.553 735 HG23 THR 101 3HG2 THR 101 -16.070 3.276 4.676 736 H SER 102 H SER 102 -18.670 5.660 8.041 737 HA SER 102 HA SER 102 -20.777 4.256 9.542 738 HB2 SER 102 1HB SER 102 -19.196 6.108 10.573 739 HB3 SER 102 2HB SER 102 -20.342 7.203 9.800 740 HG SER 102 HG SER 102 -21.509 6.863 11.509 741 H GLU 103 H GLU 103 -22.799 5.917 9.660 742 HA GLU 103 HA GLU 103 -23.759 6.010 6.929 743 HB2 GLU 103 1HB GLU 103 -25.936 6.512 7.930 744 HB3 GLU 103 2HB GLU 103 -25.203 5.102 8.682 745 HG2 GLU 103 1HG GLU 103 -24.350 6.773 10.451 746 HG3 GLU 103 2HG GLU 103 -25.584 7.848 9.797 747 H GLY 104 H GLY 104 -24.483 7.837 5.842 748 HA2 GLY 104 1HA GLY 104 -23.091 10.263 6.476 749 HA3 GLY 104 2HA GLY 104 -24.179 10.010 5.121 750 H SER 105 H SER 105 -26.507 10.076 5.578 751 HA SER 105 HA SER 105 -28.310 11.274 6.291 752 HB2 SER 105 1HB SER 105 -27.880 9.650 8.215 753 HB3 SER 105 2HB SER 105 -27.137 11.008 9.059 754 HG SER 105 HG SER 105 -29.800 10.506 8.495 755 H GLY 106 H GLY 106 -26.303 12.895 5.335 756 HA2 GLY 106 1HA GLY 106 -25.934 15.176 5.220 757 HA3 GLY 106 2HA GLY 106 -26.942 15.371 6.646 758 HA PRO 107 HA PRO 107 -22.230 14.728 7.758 759 HB2 PRO 107 1HB PRO 107 -20.684 16.284 6.159 760 HB3 PRO 107 2HB PRO 107 -21.029 14.587 5.804 761 HG2 PRO 107 1HG PRO 107 -22.307 17.054 4.688 762 HG3 PRO 107 2HG PRO 107 -21.803 15.576 3.847 763 HD2 PRO 107 1HD PRO 107 -24.379 16.057 4.531 764 HD3 PRO 107 2HD PRO 107 -23.694 14.420 4.482 765 H SER 108 H SER 108 -22.945 15.917 9.542 766 HA SER 108 HA SER 108 -23.511 18.651 9.588 767 HB2 SER 108 1HB SER 108 -22.605 16.713 11.706 768 HB3 SER 108 2HB SER 108 -22.858 18.418 12.080 769 HG SER 108 HG SER 108 -24.686 16.436 11.655 770 H SER 109 H SER 109 -22.161 20.151 8.830 771 HA SER 109 HA SER 109 -19.408 20.172 9.870 772 HB2 SER 109 1HB SER 109 -19.601 19.469 7.422 773 HB3 SER 109 2HB SER 109 -20.128 21.120 7.096 774 HG SER 109 HG SER 109 -17.620 20.153 7.787 775 H GLY 110 H GLY 110 -18.632 22.117 10.551 776 HA2 GLY 110 1HA GLY 110 -19.487 24.649 9.803 777 HA3 GLY 110 2HA GLY 110 -20.508 24.164 11.149 Start of MODEL 20 1 H1 GLY 1 H GLY 1 22.083 -21.344 -4.647 2 HA2 GLY 1 1HA GLY 1 21.181 -19.284 -2.911 3 HA3 GLY 1 2HA GLY 1 21.942 -20.570 -1.986 4 H SER 2 H SER 2 22.772 -17.777 -2.400 5 HA SER 2 HA SER 2 25.547 -18.287 -2.898 6 HB2 SER 2 1HB SER 2 25.884 -16.954 -4.828 7 HB3 SER 2 2HB SER 2 24.501 -17.977 -5.214 8 HG SER 2 HG SER 2 24.619 -15.346 -5.262 9 H SER 3 H SER 3 26.745 -16.035 -2.939 10 HA SER 3 HA SER 3 25.478 -14.348 -0.880 11 HB2 SER 3 1HB SER 3 27.680 -13.935 0.058 12 HB3 SER 3 2HB SER 3 27.411 -15.675 -0.041 13 HG SER 3 HG SER 3 28.863 -14.121 -1.924 14 H GLY 4 H GLY 4 27.297 -14.471 -3.852 15 HA2 GLY 4 1HA GLY 4 28.174 -11.869 -4.132 16 HA3 GLY 4 2HA GLY 4 27.640 -12.876 -5.470 17 H SER 5 H SER 5 25.478 -12.728 -6.190 18 HA SER 5 HA SER 5 24.416 -10.123 -6.172 19 HB2 SER 5 1HB SER 5 23.117 -12.733 -6.991 20 HB3 SER 5 2HB SER 5 22.482 -11.129 -7.361 21 HG SER 5 HG SER 5 24.059 -12.428 -8.867 22 H SER 6 H SER 6 23.910 -9.357 -4.165 23 HA SER 6 HA SER 6 21.783 -10.789 -2.711 24 HB2 SER 6 1HB SER 6 23.855 -10.751 -1.418 25 HB3 SER 6 2HB SER 6 23.954 -8.999 -1.591 26 HG SER 6 HG SER 6 23.021 -9.337 0.362 27 H GLY 7 H GLY 7 19.885 -9.803 -2.841 28 HA2 GLY 7 1HA GLY 7 19.351 -7.195 -2.077 29 HA3 GLY 7 2HA GLY 7 19.586 -7.148 -3.818 30 HA PRO 8 HA PRO 8 15.758 -10.011 -3.094 31 HB2 PRO 8 1HB PRO 8 14.807 -10.160 -0.555 32 HB3 PRO 8 2HB PRO 8 16.024 -11.273 -1.192 33 HG2 PRO 8 1HG PRO 8 16.388 -8.847 0.524 34 HG3 PRO 8 2HG PRO 8 17.165 -10.436 0.653 35 HD2 PRO 8 1HD PRO 8 18.395 -8.299 -0.465 36 HD3 PRO 8 2HD PRO 8 18.693 -9.963 -1.007 37 H VAL 9 H VAL 9 13.421 -9.576 -1.854 38 HA VAL 9 HA VAL 9 12.708 -6.941 -2.745 39 HB VAL 9 HB VAL 9 10.410 -7.592 -1.929 40 HG11 VAL 9 1HG1 VAL 9 11.818 -9.424 -3.867 41 HG12 VAL 9 2HG1 VAL 9 10.067 -9.265 -3.715 42 HG13 VAL 9 3HG1 VAL 9 11.036 -7.889 -4.243 43 HG21 VAL 9 1HG2 VAL 9 10.761 -10.380 -1.775 44 HG22 VAL 9 2HG2 VAL 9 11.934 -9.662 -0.671 45 HG23 VAL 9 3HG2 VAL 9 10.220 -9.285 -0.503 46 HA PRO 10 HA PRO 10 12.886 -4.713 1.035 47 HB2 PRO 10 1HB PRO 10 10.807 -2.995 0.724 48 HB3 PRO 10 2HB PRO 10 12.319 -2.847 -0.181 49 HG2 PRO 10 1HG PRO 10 9.708 -4.038 -1.035 50 HG3 PRO 10 2HG PRO 10 10.804 -2.977 -1.940 51 HD2 PRO 10 1HD PRO 10 10.728 -5.657 -2.319 52 HD3 PRO 10 2HD PRO 10 12.217 -4.709 -2.504 53 H ALA 11 H ALA 11 12.265 -5.184 3.045 54 HA ALA 11 HA ALA 11 10.318 -6.998 3.737 55 HB1 ALA 11 1HB ALA 11 12.235 -5.732 5.109 56 HB2 ALA 11 2HB ALA 11 10.827 -4.856 5.710 57 HB3 ALA 11 3HB ALA 11 10.916 -6.608 5.886 58 H THR 12 H THR 12 8.171 -6.974 3.961 59 HA THR 12 HA THR 12 6.549 -4.978 2.960 60 HB THR 12 HB THR 12 5.855 -7.054 5.046 61 HG1 THR 12 1HG THR 12 5.386 -7.046 2.235 62 HG21 THR 12 1HG2 THR 12 3.585 -6.627 4.681 63 HG22 THR 12 2HG2 THR 12 3.899 -5.700 3.215 64 HG23 THR 12 3HG2 THR 12 4.297 -5.018 4.792 65 HA PRO 13 HA PRO 13 6.549 -1.826 6.048 66 HB2 PRO 13 1HB PRO 13 4.290 -0.531 5.281 67 HB3 PRO 13 2HB PRO 13 5.810 -0.421 4.387 68 HG2 PRO 13 1HG PRO 13 3.408 -2.120 3.837 69 HG3 PRO 13 2HG PRO 13 4.404 -1.190 2.702 70 HD2 PRO 13 1HD PRO 13 4.676 -3.865 3.025 71 HD3 PRO 13 2HD PRO 13 6.044 -2.808 2.619 72 H ILE 14 H ILE 14 5.398 -1.141 7.906 73 HA ILE 14 HA ILE 14 3.467 -3.126 8.864 74 HB ILE 14 HB ILE 14 5.071 -1.061 10.376 75 HG12 ILE 14 1HG1 ILE 14 5.307 -4.012 10.772 76 HG13 ILE 14 2HG1 ILE 14 6.070 -3.294 9.358 77 HG21 ILE 14 1HG2 ILE 14 3.954 -3.053 12.069 78 HG22 ILE 14 2HG2 ILE 14 3.686 -1.311 12.088 79 HG23 ILE 14 3HG2 ILE 14 2.657 -2.350 11.102 80 HD11 ILE 14 1HD1 ILE 14 6.605 -1.942 11.912 81 HD12 ILE 14 2HD1 ILE 14 7.273 -3.566 11.740 82 HD13 ILE 14 3HD1 ILE 14 7.685 -2.314 10.568 83 H LEU 15 H LEU 15 1.398 -2.620 8.614 84 HA LEU 15 HA LEU 15 0.362 -0.128 7.972 85 HB2 LEU 15 1HB LEU 15 -0.682 -2.530 7.955 86 HB3 LEU 15 2HB LEU 15 -1.271 -2.065 9.550 87 HG LEU 15 HG LEU 15 -2.986 -1.703 7.884 88 HD11 LEU 15 1HD1 LEU 15 -2.178 0.109 9.760 89 HD12 LEU 15 2HD1 LEU 15 -3.683 0.190 8.845 90 HD13 LEU 15 3HD1 LEU 15 -2.273 1.098 8.302 91 HD21 LEU 15 1HD2 LEU 15 -2.430 -1.122 5.816 92 HD22 LEU 15 2HD2 LEU 15 -0.780 -0.758 6.320 93 HD23 LEU 15 3HD2 LEU 15 -2.025 0.488 6.410 94 H GLN 16 H GLN 16 0.934 1.577 9.233 95 HA GLN 16 HA GLN 16 0.187 1.450 12.080 96 HB2 GLN 16 1HB GLN 16 2.333 3.017 10.660 97 HB3 GLN 16 2HB GLN 16 1.788 3.435 12.279 98 HG2 GLN 16 1HG GLN 16 2.286 0.866 12.700 99 HG3 GLN 16 2HG GLN 16 3.389 1.124 11.349 100 HE21 GLN 16 1HE2 GLN 16 3.847 0.593 14.236 101 HE22 GLN 16 2HE2 GLN 16 4.891 1.863 14.766 102 H LEU 17 H LEU 17 -1.923 1.892 10.582 103 HA LEU 17 HA LEU 17 -2.579 4.297 9.518 104 HB2 LEU 17 1HB LEU 17 -4.055 2.275 9.835 105 HB3 LEU 17 2HB LEU 17 -4.374 2.866 11.464 106 HG LEU 17 HG LEU 17 -6.181 3.396 9.875 107 HD11 LEU 17 1HD1 LEU 17 -5.066 5.014 11.789 108 HD12 LEU 17 2HD1 LEU 17 -6.627 5.265 11.008 109 HD13 LEU 17 3HD1 LEU 17 -5.192 6.086 10.394 110 HD21 LEU 17 1HD2 LEU 17 -4.115 5.136 8.532 111 HD22 LEU 17 2HD2 LEU 17 -5.830 5.046 8.130 112 HD23 LEU 17 3HD2 LEU 17 -4.788 3.647 7.868 113 H GLU 18 H GLU 18 -2.453 6.330 10.177 114 HA GLU 18 HA GLU 18 -2.192 6.897 13.029 115 HB2 GLU 18 1HB GLU 18 -0.499 7.939 11.746 116 HB3 GLU 18 2HB GLU 18 -1.649 8.500 10.539 117 HG2 GLU 18 1HG GLU 18 -2.394 10.237 11.857 118 HG3 GLU 18 2HG GLU 18 -1.868 9.465 13.352 119 H GLU 19 H GLU 19 -3.969 8.273 10.255 120 HA GLU 19 HA GLU 19 -5.768 9.739 11.902 121 HB2 GLU 19 1HB GLU 19 -5.789 9.013 8.976 122 HB3 GLU 19 2HB GLU 19 -7.075 9.952 9.721 123 HG2 GLU 19 1HG GLU 19 -4.165 10.718 9.631 124 HG3 GLU 19 2HG GLU 19 -5.441 11.375 8.607 125 H CYS 20 H CYS 20 -6.695 8.293 13.360 126 HA CYS 20 HA CYS 20 -8.540 6.321 12.183 127 HB2 CYS 20 1HB CYS 20 -8.383 5.081 14.292 128 HB3 CYS 20 2HB CYS 20 -6.795 5.290 13.565 129 HG CYS 20 HG CYS 20 -6.309 5.575 16.219 130 H CYS 21 H CYS 21 -9.307 8.981 12.325 131 HA CYS 21 HA CYS 21 -11.211 8.998 14.573 132 HB2 CYS 21 1HB CYS 21 -9.411 10.894 14.188 133 HB3 CYS 21 2HB CYS 21 -10.589 11.473 13.016 134 HG CYS 21 HG CYS 21 -12.485 12.204 14.726 135 H THR 22 H THR 22 -13.315 10.025 14.114 136 HA THR 22 HA THR 22 -14.865 8.811 12.325 137 HB THR 22 HB THR 22 -15.103 11.768 12.918 138 HG1 THR 22 1HG THR 22 -16.161 9.489 14.270 139 HG21 THR 22 1HG2 THR 22 -16.502 10.842 11.024 140 HG22 THR 22 2HG2 THR 22 -17.402 11.581 12.348 141 HG23 THR 22 3HG2 THR 22 -17.299 9.825 12.223 142 H HIS 23 H HIS 23 -14.135 8.321 10.313 143 HA HIS 23 HA HIS 23 -13.309 10.522 8.556 144 HB2 HIS 23 1HB HIS 23 -12.883 7.545 8.467 145 HB3 HIS 23 2HB HIS 23 -12.653 8.539 7.031 146 HD1 HIS 23 1HD HIS 23 -10.793 10.479 7.288 147 HD2 HIS 23 2HD HIS 23 -10.747 7.474 10.158 148 HE1 HIS 23 1HE HIS 23 -8.534 10.629 8.384 149 HE2 HIS 23 2HE HIS 23 -8.498 8.748 10.057 150 H ASN 24 H ASN 24 -14.422 11.061 6.746 151 HA ASN 24 HA ASN 24 -17.094 9.941 6.475 152 HB2 ASN 24 1HB ASN 24 -17.072 11.849 4.604 153 HB3 ASN 24 2HB ASN 24 -17.337 12.210 6.307 154 HD21 ASN 24 1HD2 ASN 24 -16.493 14.216 6.380 155 HD22 ASN 24 2HD2 ASN 24 -14.835 14.586 6.062 156 H ASN 25 H ASN 25 -14.824 11.046 3.971 157 HA ASN 25 HA ASN 25 -15.115 8.453 2.625 158 HB2 ASN 25 1HB ASN 25 -15.775 9.365 0.597 159 HB3 ASN 25 2HB ASN 25 -16.637 10.392 1.738 160 HD21 ASN 25 1HD2 ASN 25 -15.163 12.292 2.513 161 HD22 ASN 25 2HD2 ASN 25 -14.406 13.173 1.234 162 H SER 26 H SER 26 -12.964 9.743 4.192 163 HA SER 26 HA SER 26 -10.835 9.350 2.243 164 HB2 SER 26 1HB SER 26 -9.684 11.395 2.762 165 HB3 SER 26 2HB SER 26 -11.338 11.818 2.319 166 HG SER 26 HG SER 26 -10.027 12.253 4.638 167 H ALA 27 H ALA 27 -8.909 8.625 3.130 168 HA ALA 27 HA ALA 27 -8.701 8.399 6.032 169 HB1 ALA 27 1HB ALA 27 -9.025 6.100 4.162 170 HB2 ALA 27 2HB ALA 27 -8.000 5.917 5.586 171 HB3 ALA 27 3HB ALA 27 -9.700 6.347 5.773 172 H THR 28 H THR 28 -6.702 8.872 6.655 173 HA THR 28 HA THR 28 -4.595 9.077 4.671 174 HB THR 28 HB THR 28 -4.531 9.766 7.615 175 HG1 THR 28 1HG THR 28 -6.014 11.024 6.306 176 HG21 THR 28 1HG2 THR 28 -2.318 9.868 7.255 177 HG22 THR 28 2HG2 THR 28 -2.670 11.320 6.319 178 HG23 THR 28 3HG2 THR 28 -2.511 9.764 5.506 179 H LEU 29 H LEU 29 -3.000 7.656 4.385 180 HA LEU 29 HA LEU 29 -2.720 5.482 6.350 181 HB2 LEU 29 1HB LEU 29 -2.522 5.605 3.392 182 HB3 LEU 29 2HB LEU 29 -1.465 4.474 4.235 183 HG LEU 29 HG LEU 29 -3.666 3.568 3.338 184 HD11 LEU 29 1HD1 LEU 29 -2.230 2.433 5.004 185 HD12 LEU 29 2HD1 LEU 29 -3.946 2.082 5.207 186 HD13 LEU 29 3HD1 LEU 29 -3.147 3.224 6.287 187 HD21 LEU 29 1HD2 LEU 29 -5.021 4.465 5.786 188 HD22 LEU 29 2HD2 LEU 29 -5.651 4.239 4.154 189 HD23 LEU 29 3HD2 LEU 29 -4.773 5.713 4.565 190 H SER 30 H SER 30 -0.897 5.355 7.475 191 HA SER 30 HA SER 30 1.501 6.707 6.424 192 HB2 SER 30 1HB SER 30 2.069 7.482 8.614 193 HB3 SER 30 2HB SER 30 0.378 7.908 8.351 194 HG SER 30 HG SER 30 0.616 6.980 10.388 195 H TRP 31 H TRP 31 1.855 4.484 5.568 196 HA TRP 31 HA TRP 31 2.443 2.371 7.411 197 HB2 TRP 31 1HB TRP 31 3.285 1.180 5.408 198 HB3 TRP 31 2HB TRP 31 1.670 1.840 5.169 199 HD1 TRP 31 HD TRP 31 5.174 1.986 3.796 200 HE1 TRP 31 1HE TRP 31 5.231 3.545 1.750 201 HE3 TRP 31 3HE TRP 31 0.522 4.063 4.229 202 HZ2 TRP 31 2HZ TRP 31 3.529 5.409 0.486 203 HZ3 TRP 31 3HZ TRP 31 -0.186 5.726 2.560 204 HH2 TRP 31 HH TRP 31 1.288 6.385 0.729 205 H LYS 32 H LYS 32 4.377 1.708 8.209 206 HA LYS 32 HA LYS 32 6.731 3.348 7.529 207 HB2 LYS 32 1HB LYS 32 7.494 3.106 9.824 208 HB3 LYS 32 2HB LYS 32 5.883 3.811 9.798 209 HG2 LYS 32 1HG LYS 32 5.575 2.288 11.444 210 HG3 LYS 32 2HG LYS 32 5.178 1.268 10.059 211 HD2 LYS 32 1HD LYS 32 6.665 -0.105 11.111 212 HD3 LYS 32 2HD LYS 32 7.793 0.821 10.118 213 HE2 LYS 32 1HE LYS 32 8.539 2.078 11.912 214 HE3 LYS 32 2HE LYS 32 7.082 1.780 12.858 215 HZ1 LYS 32 1HZ LYS 32 9.289 0.569 13.439 216 HZ2 LYS 32 2HZ LYS 32 8.839 -0.477 12.188 217 HZ3 LYS 32 3HZ LYS 32 7.821 -0.268 13.524 218 H GLN 33 H GLN 33 8.814 2.158 8.318 219 HA GLN 33 HA GLN 33 8.664 -0.586 7.270 220 HB2 GLN 33 1HB GLN 33 10.849 1.480 7.223 221 HB3 GLN 33 2HB GLN 33 11.190 -0.222 6.940 222 HG2 GLN 33 1HG GLN 33 9.221 0.062 5.192 223 HG3 GLN 33 2HG GLN 33 9.760 1.739 5.243 224 HE21 GLN 33 1HE2 GLN 33 10.474 -1.463 4.222 225 HE22 GLN 33 2HE2 GLN 33 11.921 -1.100 3.352 226 HA PRO 34 HA PRO 34 9.881 -2.250 11.148 227 HB2 PRO 34 1HB PRO 34 11.191 -4.482 10.326 228 HB3 PRO 34 2HB PRO 34 9.433 -4.317 10.249 229 HG2 PRO 34 1HG PRO 34 11.466 -3.959 8.081 230 HG3 PRO 34 2HG PRO 34 9.895 -4.780 8.017 231 HD2 PRO 34 1HD PRO 34 10.268 -2.271 7.068 232 HD3 PRO 34 2HD PRO 34 8.732 -2.804 7.780 233 HA PRO 35 HA PRO 35 13.981 -0.627 11.746 234 HB2 PRO 35 1HB PRO 35 14.162 -1.219 14.389 235 HB3 PRO 35 2HB PRO 35 13.211 0.137 13.771 236 HG2 PRO 35 1HG PRO 35 12.302 -2.592 14.603 237 HG3 PRO 35 2HG PRO 35 11.563 -1.016 14.940 238 HD2 PRO 35 1HD PRO 35 10.653 -2.666 12.996 239 HD3 PRO 35 2HD PRO 35 10.568 -0.897 12.864 240 H LEU 36 H LEU 36 13.085 -3.789 11.556 241 HA LEU 36 HA LEU 36 15.783 -4.755 12.241 242 HB2 LEU 36 1HB LEU 36 13.150 -6.218 12.234 243 HB3 LEU 36 2HB LEU 36 14.715 -7.001 12.440 244 HG LEU 36 HG LEU 36 14.885 -5.243 14.435 245 HD11 LEU 36 1HD1 LEU 36 12.058 -5.884 14.861 246 HD12 LEU 36 2HD1 LEU 36 12.360 -4.690 13.599 247 HD13 LEU 36 3HD1 LEU 36 12.962 -4.417 15.234 248 HD21 LEU 36 1HD2 LEU 36 13.962 -7.042 15.908 249 HD22 LEU 36 2HD2 LEU 36 15.174 -7.590 14.750 250 HD23 LEU 36 3HD2 LEU 36 13.464 -7.899 14.449 251 H SER 37 H SER 37 14.836 -3.539 9.720 252 HA SER 37 HA SER 37 15.195 -5.835 7.910 253 HB2 SER 37 1HB SER 37 13.220 -4.954 7.145 254 HB3 SER 37 2HB SER 37 13.605 -3.327 7.706 255 HG SER 37 HG SER 37 13.634 -3.791 5.333 256 H THR 38 H THR 38 16.511 -5.503 6.012 257 HA THR 38 HA THR 38 18.576 -3.433 6.391 258 HB THR 38 HB THR 38 19.027 -6.207 5.276 259 HG1 THR 38 1HG THR 38 19.001 -6.663 7.359 260 HG21 THR 38 1HG2 THR 38 20.563 -3.789 5.173 261 HG22 THR 38 2HG2 THR 38 20.938 -5.372 4.493 262 HG23 THR 38 3HG2 THR 38 21.415 -4.987 6.146 263 H VAL 39 H VAL 39 16.587 -5.241 4.159 264 HA VAL 39 HA VAL 39 17.745 -4.147 1.782 265 HB VAL 39 HB VAL 39 14.990 -5.344 2.029 266 HG11 VAL 39 1HG1 VAL 39 16.864 -4.737 -0.201 267 HG12 VAL 39 2HG1 VAL 39 15.814 -6.148 -0.340 268 HG13 VAL 39 3HG1 VAL 39 15.114 -4.545 -0.112 269 HG21 VAL 39 1HG2 VAL 39 17.209 -6.633 2.886 270 HG22 VAL 39 2HG2 VAL 39 15.804 -7.440 2.188 271 HG23 VAL 39 3HG2 VAL 39 17.206 -7.082 1.181 272 HA PRO 40 HA PRO 40 15.697 -0.197 2.217 273 HB2 PRO 40 1HB PRO 40 16.763 0.891 -0.030 274 HB3 PRO 40 2HB PRO 40 17.663 0.738 1.484 275 HG2 PRO 40 1HG PRO 40 17.737 -1.006 -0.949 276 HG3 PRO 40 2HG PRO 40 19.081 -0.421 0.050 277 HD2 PRO 40 1HD PRO 40 18.071 -2.923 0.285 278 HD3 PRO 40 2HD PRO 40 18.746 -2.032 1.664 279 H ALA 41 H ALA 41 14.100 0.994 1.063 280 HA ALA 41 HA ALA 41 12.780 -0.561 -1.065 281 HB1 ALA 41 1HB ALA 41 11.218 -0.611 0.606 282 HB2 ALA 41 2HB ALA 41 11.702 0.955 1.258 283 HB3 ALA 41 3HB ALA 41 10.743 0.874 -0.219 284 H ASP 42 H ASP 42 12.227 0.431 -2.939 285 HA ASP 42 HA ASP 42 13.273 3.123 -3.353 286 HB2 ASP 42 1HB ASP 42 12.563 0.833 -5.134 287 HB3 ASP 42 2HB ASP 42 12.533 2.461 -5.807 288 H GLY 43 H GLY 43 10.250 1.306 -3.663 289 HA2 GLY 43 1HA GLY 43 8.769 3.804 -3.395 290 HA3 GLY 43 2HA GLY 43 8.505 2.899 -4.878 291 H TYR 44 H TYR 44 6.338 3.339 -3.410 292 HA TYR 44 HA TYR 44 5.761 0.693 -2.277 293 HB2 TYR 44 1HB TYR 44 4.910 3.328 -1.058 294 HB3 TYR 44 2HB TYR 44 4.409 1.736 -0.499 295 HD1 TYR 44 2HD TYR 44 7.336 3.971 -0.890 296 HD2 TYR 44 1HD TYR 44 5.772 0.475 0.963 297 HE1 TYR 44 2HE TYR 44 9.309 3.873 0.576 298 HE2 TYR 44 1HE TYR 44 7.740 0.367 2.435 299 HH TYR 44 HH TYR 44 9.936 1.141 2.632 300 H ILE 45 H ILE 45 3.772 -0.129 -2.757 301 HA ILE 45 HA ILE 45 2.070 1.523 -4.506 302 HB ILE 45 HB ILE 45 2.690 -1.415 -4.567 303 HG12 ILE 45 1HG1 ILE 45 2.537 0.606 -6.806 304 HG13 ILE 45 2HG1 ILE 45 4.008 0.299 -5.890 305 HG21 ILE 45 1HG2 ILE 45 0.802 -1.050 -6.528 306 HG22 ILE 45 2HG2 ILE 45 0.535 -1.838 -4.973 307 HG23 ILE 45 3HG2 ILE 45 0.148 -0.129 -5.174 308 HD11 ILE 45 1HD1 ILE 45 3.720 -2.136 -6.579 309 HD12 ILE 45 2HD1 ILE 45 2.547 -1.534 -7.751 310 HD13 ILE 45 3HD1 ILE 45 4.222 -0.987 -7.819 311 H LEU 46 H LEU 46 0.046 1.907 -3.876 312 HA LEU 46 HA LEU 46 -0.934 0.570 -1.466 313 HB2 LEU 46 1HB LEU 46 -1.532 3.146 -2.837 314 HB3 LEU 46 2HB LEU 46 -2.772 2.420 -1.817 315 HG LEU 46 HG LEU 46 0.007 3.047 -0.838 316 HD11 LEU 46 1HD1 LEU 46 -2.426 4.730 -0.337 317 HD12 LEU 46 2HD1 LEU 46 -1.323 5.053 -1.674 318 HD13 LEU 46 3HD1 LEU 46 -0.734 5.109 -0.013 319 HD21 LEU 46 1HD2 LEU 46 -1.297 3.037 1.361 320 HD22 LEU 46 2HD2 LEU 46 -0.985 1.481 0.591 321 HD23 LEU 46 3HD2 LEU 46 -2.576 2.230 0.454 322 H GLU 47 H GLU 47 -3.094 -0.234 -1.342 323 HA GLU 47 HA GLU 47 -4.471 -0.700 -3.877 324 HB2 GLU 47 1HB GLU 47 -3.239 -2.793 -2.149 325 HB3 GLU 47 2HB GLU 47 -4.791 -3.150 -2.895 326 HG2 GLU 47 1HG GLU 47 -3.553 -2.278 -5.056 327 HG3 GLU 47 2HG GLU 47 -2.127 -2.764 -4.141 328 H LEU 48 H LEU 48 -6.674 -0.936 -3.696 329 HA LEU 48 HA LEU 48 -7.965 -1.370 -1.174 330 HB2 LEU 48 1HB LEU 48 -7.565 0.868 -0.687 331 HB3 LEU 48 2HB LEU 48 -7.797 1.372 -2.359 332 HG LEU 48 HG LEU 48 -10.146 0.277 -0.905 333 HD11 LEU 48 1HD1 LEU 48 -9.469 3.162 -0.559 334 HD12 LEU 48 2HD1 LEU 48 -8.812 1.969 0.561 335 HD13 LEU 48 3HD1 LEU 48 -10.558 2.140 0.380 336 HD21 LEU 48 1HD2 LEU 48 -11.325 1.372 -2.487 337 HD22 LEU 48 2HD2 LEU 48 -9.802 1.291 -3.373 338 HD23 LEU 48 3HD2 LEU 48 -10.235 2.759 -2.495 339 H ASP 49 H ASP 49 -9.893 -2.285 -1.512 340 HA ASP 49 HA ASP 49 -10.854 -2.538 -4.229 341 HB2 ASP 49 1HB ASP 49 -12.294 -4.242 -3.409 342 HB3 ASP 49 2HB ASP 49 -10.769 -4.439 -2.549 343 H ASP 50 H ASP 50 -13.177 -2.262 -4.723 344 HA ASP 50 HA ASP 50 -14.057 0.336 -3.830 345 HB2 ASP 50 1HB ASP 50 -15.237 -1.620 -5.812 346 HB3 ASP 50 2HB ASP 50 -15.895 -0.019 -5.490 347 H GLY 51 H GLY 51 -14.066 -1.427 -1.700 348 HA2 GLY 51 1HA GLY 51 -15.395 -2.309 -0.042 349 HA3 GLY 51 2HA GLY 51 -16.500 -1.022 -0.500 350 H ASN 52 H ASN 52 -15.585 -3.653 -2.631 351 HA ASN 52 HA ASN 52 -18.377 -4.574 -2.561 352 HB2 ASN 52 1HB ASN 52 -17.132 -3.704 -4.725 353 HB3 ASN 52 2HB ASN 52 -16.498 -5.347 -4.755 354 HD21 ASN 52 1HD2 ASN 52 -19.324 -3.355 -5.041 355 HD22 ASN 52 2HD2 ASN 52 -20.361 -4.567 -5.703 356 H GLY 53 H GLY 53 -15.024 -5.613 -2.385 357 HA2 GLY 53 1HA GLY 53 -14.348 -7.450 -1.032 358 HA3 GLY 53 2HA GLY 53 -15.946 -8.152 -1.238 359 H GLY 54 H GLY 54 -13.917 -6.879 -3.824 360 HA2 GLY 54 1HA GLY 54 -13.757 -9.626 -4.901 361 HA3 GLY 54 2HA GLY 54 -13.895 -8.187 -5.900 362 H GLN 55 H GLN 55 -12.077 -7.583 -6.849 363 HA GLN 55 HA GLN 55 -9.530 -8.493 -5.725 364 HB2 GLN 55 1HB GLN 55 -10.464 -7.740 -8.457 365 HB3 GLN 55 2HB GLN 55 -8.761 -7.532 -8.071 366 HG2 GLN 55 1HG GLN 55 -10.286 -10.111 -7.784 367 HG3 GLN 55 2HG GLN 55 -9.266 -9.684 -9.157 368 HE21 GLN 55 1HE2 GLN 55 -9.119 -11.835 -7.086 369 HE22 GLN 55 2HE2 GLN 55 -7.521 -11.713 -6.440 370 H PHE 56 H PHE 56 -7.742 -7.070 -5.531 371 HA PHE 56 HA PHE 56 -8.543 -4.356 -4.836 372 HB2 PHE 56 1HB PHE 56 -5.950 -5.843 -4.374 373 HB3 PHE 56 2HB PHE 56 -6.290 -4.213 -3.802 374 HD1 PHE 56 1HD PHE 56 -7.723 -7.652 -3.654 375 HD2 PHE 56 2HD PHE 56 -7.078 -3.947 -1.661 376 HE1 PHE 56 1HE PHE 56 -8.717 -8.585 -1.605 377 HE2 PHE 56 2HE PHE 56 -8.069 -4.874 0.391 378 HZ PHE 56 HZ PHE 56 -8.890 -7.196 0.421 379 H ARG 57 H ARG 57 -7.941 -2.565 -5.912 380 HA ARG 57 HA ARG 57 -6.173 -2.922 -8.243 381 HB2 ARG 57 1HB ARG 57 -7.431 -1.292 -9.428 382 HB3 ARG 57 2HB ARG 57 -8.600 -2.392 -8.709 383 HG2 ARG 57 1HG ARG 57 -8.606 -0.622 -6.775 384 HG3 ARG 57 2HG ARG 57 -8.006 0.445 -8.046 385 HD2 ARG 57 1HD ARG 57 -10.493 -1.238 -8.293 386 HD3 ARG 57 2HD ARG 57 -10.493 0.442 -7.759 387 HE ARG 57 HE ARG 57 -9.157 0.457 -10.150 388 HH11 ARG 57 2HH1 ARG 57 -12.304 -0.558 -9.061 389 HH12 ARG 57 1HH1 ARG 57 -13.076 -0.236 -10.578 390 HH21 ARG 57 2HH2 ARG 57 -10.162 0.885 -12.152 391 HH22 ARG 57 1HH2 ARG 57 -11.857 0.584 -12.336 392 H GLU 58 H GLU 58 -4.527 -1.490 -8.575 393 HA GLU 58 HA GLU 58 -3.341 -0.213 -6.430 394 HB2 GLU 58 1HB GLU 58 -3.038 0.048 -9.397 395 HB3 GLU 58 2HB GLU 58 -2.182 1.164 -8.342 396 HG2 GLU 58 1HG GLU 58 -0.611 -0.472 -8.636 397 HG3 GLU 58 2HG GLU 58 -1.387 -1.006 -7.146 398 H VAL 59 H VAL 59 -3.525 1.725 -5.470 399 HA VAL 59 HA VAL 59 -5.461 3.628 -6.618 400 HB VAL 59 HB VAL 59 -5.846 4.438 -4.329 401 HG11 VAL 59 1HG1 VAL 59 -7.468 2.927 -4.026 402 HG12 VAL 59 2HG1 VAL 59 -6.830 2.156 -5.480 403 HG13 VAL 59 3HG1 VAL 59 -6.324 1.592 -3.887 404 HG21 VAL 59 1HG2 VAL 59 -4.931 3.344 -2.412 405 HG22 VAL 59 2HG2 VAL 59 -4.164 2.110 -3.412 406 HG23 VAL 59 3HG2 VAL 59 -3.590 3.776 -3.471 407 H TYR 60 H TYR 60 -2.247 3.182 -5.420 408 HA TYR 60 HA TYR 60 -1.371 5.661 -6.507 409 HB2 TYR 60 1HB TYR 60 -2.081 6.827 -4.644 410 HB3 TYR 60 2HB TYR 60 -1.838 5.460 -3.562 411 HD1 TYR 60 1HD TYR 60 0.402 4.948 -2.690 412 HD2 TYR 60 2HD TYR 60 -0.296 8.366 -5.126 413 HE1 TYR 60 1HE TYR 60 2.558 5.891 -1.974 414 HE2 TYR 60 2HE TYR 60 1.859 9.317 -4.419 415 HH TYR 60 HH TYR 60 3.410 9.088 -2.438 416 H VAL 61 H VAL 61 0.930 5.911 -6.422 417 HA VAL 61 HA VAL 61 2.576 3.942 -5.148 418 HB VAL 61 HB VAL 61 1.936 2.501 -6.922 419 HG11 VAL 61 1HG1 VAL 61 1.241 3.207 -8.912 420 HG12 VAL 61 2HG1 VAL 61 1.518 4.859 -8.357 421 HG13 VAL 61 3HG1 VAL 61 2.784 3.998 -9.233 422 HG21 VAL 61 1HG2 VAL 61 4.303 3.125 -8.370 423 HG22 VAL 61 2HG2 VAL 61 4.591 3.461 -6.663 424 HG23 VAL 61 3HG2 VAL 61 4.048 1.860 -7.168 425 H GLY 62 H GLY 62 4.403 4.947 -4.635 426 HA2 GLY 62 1HA GLY 62 5.837 6.568 -6.522 427 HA3 GLY 62 2HA GLY 62 5.082 7.522 -5.254 428 H LYS 63 H LYS 63 6.925 8.199 -4.240 429 HA LYS 63 HA LYS 63 8.545 6.084 -2.978 430 HB2 LYS 63 1HB LYS 63 10.435 7.734 -3.012 431 HB3 LYS 63 2HB LYS 63 9.938 7.159 -4.598 432 HG2 LYS 63 1HG LYS 63 8.555 9.253 -4.799 433 HG3 LYS 63 2HG LYS 63 9.367 9.828 -3.341 434 HD2 LYS 63 1HD LYS 63 11.004 8.829 -5.629 435 HD3 LYS 63 2HD LYS 63 10.294 10.444 -5.714 436 HE2 LYS 63 1HE LYS 63 11.596 11.253 -4.017 437 HE3 LYS 63 2HE LYS 63 11.744 9.681 -3.234 438 HZ1 LYS 63 1HZ LYS 63 13.646 9.311 -4.282 439 HZ2 LYS 63 2HZ LYS 63 13.610 10.907 -4.840 440 HZ3 LYS 63 3HZ LYS 63 12.973 9.663 -5.794 441 H GLU 64 H GLU 64 6.161 7.311 -1.923 442 HA GLU 64 HA GLU 64 7.296 8.816 0.343 443 HB2 GLU 64 1HB GLU 64 4.480 8.895 -0.757 444 HB3 GLU 64 2HB GLU 64 5.046 9.782 0.651 445 HG2 GLU 64 1HG GLU 64 6.378 10.139 -1.999 446 HG3 GLU 64 2HG GLU 64 4.878 10.986 -1.624 447 H THR 65 H THR 65 5.899 8.576 2.374 448 HA THR 65 HA THR 65 5.021 5.777 2.660 449 HB THR 65 HB THR 65 6.012 5.641 4.850 450 HG1 THR 65 1HG THR 65 7.396 8.033 4.704 451 HG21 THR 65 1HG2 THR 65 8.488 6.362 4.119 452 HG22 THR 65 2HG2 THR 65 7.700 6.414 2.542 453 HG23 THR 65 3HG2 THR 65 7.685 4.925 3.487 454 H MET 66 H MET 66 3.712 8.558 2.371 455 HA MET 66 HA MET 66 1.611 8.036 4.289 456 HB2 MET 66 1HB MET 66 3.455 9.624 5.291 457 HB3 MET 66 2HB MET 66 2.664 10.836 4.292 458 HG2 MET 66 1HG MET 66 0.566 10.455 5.422 459 HG3 MET 66 2HG MET 66 1.282 9.149 6.364 460 HE1 MET 66 1HE MET 66 0.878 13.390 7.300 461 HE2 MET 66 2HE MET 66 -0.003 12.264 6.266 462 HE3 MET 66 3HE MET 66 -0.078 12.095 8.020 463 H CYS 67 H CYS 67 -0.034 7.928 2.895 464 HA CYS 67 HA CYS 67 -0.668 10.290 1.318 465 HB2 CYS 67 1HB CYS 67 0.694 8.706 -0.125 466 HB3 CYS 67 2HB CYS 67 -0.644 7.571 0.006 467 HG CYS 67 HG CYS 67 -1.840 8.480 -2.064 468 H THR 68 H THR 68 -2.836 10.604 1.028 469 HA THR 68 HA THR 68 -4.610 8.586 2.242 470 HB THR 68 HB THR 68 -4.359 10.861 3.406 471 HG1 THR 68 1HG THR 68 -6.638 9.417 2.793 472 HG21 THR 68 1HG2 THR 68 -4.981 11.800 0.856 473 HG22 THR 68 2HG2 THR 68 -4.921 12.743 2.345 474 HG23 THR 68 3HG2 THR 68 -6.449 12.052 1.800 475 H VAL 69 H VAL 69 -6.658 8.241 1.304 476 HA VAL 69 HA VAL 69 -6.748 8.885 -1.556 477 HB VAL 69 HB VAL 69 -6.890 6.516 -1.034 478 HG11 VAL 69 1HG1 VAL 69 -9.536 6.547 0.176 479 HG12 VAL 69 2HG1 VAL 69 -8.089 5.652 0.641 480 HG13 VAL 69 3HG1 VAL 69 -8.312 7.314 1.186 481 HG21 VAL 69 1HG2 VAL 69 -8.204 6.347 -2.815 482 HG22 VAL 69 2HG2 VAL 69 -9.623 6.610 -1.800 483 HG23 VAL 69 3HG2 VAL 69 -8.800 7.984 -2.538 484 H ASP 70 H ASP 70 -8.473 9.899 -2.504 485 HA ASP 70 HA ASP 70 -10.488 11.020 -0.667 486 HB2 ASP 70 1HB ASP 70 -9.413 12.933 -1.337 487 HB3 ASP 70 2HB ASP 70 -8.917 12.243 -2.880 488 H GLY 71 H GLY 71 -12.630 11.100 -1.332 489 HA2 GLY 71 1HA GLY 71 -14.464 10.702 -2.714 490 HA3 GLY 71 2HA GLY 71 -13.367 10.142 -3.967 491 H LEU 72 H LEU 72 -14.377 9.163 -0.688 492 HA LEU 72 HA LEU 72 -14.342 6.372 -1.611 493 HB2 LEU 72 1HB LEU 72 -14.112 7.608 1.117 494 HB3 LEU 72 2HB LEU 72 -14.438 5.891 0.888 495 HG LEU 72 HG LEU 72 -11.999 7.276 -0.213 496 HD11 LEU 72 1HD1 LEU 72 -12.363 5.806 2.392 497 HD12 LEU 72 2HD1 LEU 72 -11.903 7.494 2.173 498 HD13 LEU 72 3HD1 LEU 72 -10.800 6.209 1.681 499 HD21 LEU 72 1HD2 LEU 72 -12.986 4.980 -1.051 500 HD22 LEU 72 2HD2 LEU 72 -12.193 4.371 0.402 501 HD23 LEU 72 3HD2 LEU 72 -11.250 5.206 -0.833 502 H HIS 73 H HIS 73 -15.992 4.972 -0.355 503 HA HIS 73 HA HIS 73 -18.606 6.256 -0.678 504 HB2 HIS 73 1HB HIS 73 -17.651 3.417 -0.801 505 HB3 HIS 73 2HB HIS 73 -19.349 3.755 -0.480 506 HD1 HIS 73 1HD HIS 73 -20.695 3.661 -2.538 507 HD2 HIS 73 2HD HIS 73 -16.847 5.037 -3.288 508 HE1 HIS 73 1HE HIS 73 -20.605 4.087 -5.014 509 HE2 HIS 73 2HE HIS 73 -18.241 4.838 -5.458 510 H PHE 74 H PHE 74 -20.209 6.134 0.900 511 HA PHE 74 HA PHE 74 -19.190 5.879 3.613 512 HB2 PHE 74 1HB PHE 74 -21.948 6.756 2.748 513 HB3 PHE 74 2HB PHE 74 -21.180 7.027 4.309 514 HD1 PHE 74 2HD PHE 74 -20.967 7.888 0.712 515 HD2 PHE 74 1HD PHE 74 -19.890 8.935 4.695 516 HE1 PHE 74 2HE PHE 74 -20.111 10.050 -0.091 517 HE2 PHE 74 1HE PHE 74 -19.034 11.099 3.898 518 HZ PHE 74 HZ PHE 74 -19.142 11.659 1.502 519 H ASN 75 H ASN 75 -20.645 4.854 5.266 520 HA ASN 75 HA ASN 75 -21.282 2.785 6.061 521 HB2 ASN 75 1HB ASN 75 -23.373 4.122 5.396 522 HB3 ASN 75 2HB ASN 75 -23.467 3.049 4.002 523 HD21 ASN 75 1HD2 ASN 75 -24.228 3.475 7.252 524 HD22 ASN 75 2HD2 ASN 75 -24.801 1.879 7.587 525 H SER 76 H SER 76 -19.265 2.323 4.306 526 HA SER 76 HA SER 76 -20.055 -0.246 3.175 527 HB2 SER 76 1HB SER 76 -18.629 1.891 1.573 528 HB3 SER 76 2HB SER 76 -18.852 0.221 1.053 529 HG SER 76 HG SER 76 -20.692 0.878 0.304 530 H THR 77 H THR 77 -18.624 -1.765 3.686 531 HA THR 77 HA THR 77 -16.250 -1.109 5.130 532 HB THR 77 HB THR 77 -17.074 -3.805 4.035 533 HG1 THR 77 1HG THR 77 -18.624 -3.597 5.464 534 HG21 THR 77 1HG2 THR 77 -15.306 -3.153 6.391 535 HG22 THR 77 2HG2 THR 77 -14.694 -3.539 4.782 536 HG23 THR 77 3HG2 THR 77 -15.616 -4.739 5.687 537 H TYR 78 H TYR 78 -14.234 -0.845 4.413 538 HA TYR 78 HA TYR 78 -13.648 -1.597 1.624 539 HB2 TYR 78 1HB TYR 78 -12.993 0.840 3.208 540 HB3 TYR 78 2HB TYR 78 -11.805 0.283 2.035 541 HD1 TYR 78 1HD TYR 78 -15.265 1.503 2.446 542 HD2 TYR 78 2HD TYR 78 -12.161 0.557 -0.306 543 HE1 TYR 78 1HE TYR 78 -16.526 2.615 0.651 544 HE2 TYR 78 2HE TYR 78 -13.413 1.668 -2.108 545 HH TYR 78 HH TYR 78 -16.412 2.228 -2.189 546 H ASN 79 H ASN 79 -11.372 -2.098 1.171 547 HA ASN 79 HA ASN 79 -9.888 -3.098 3.497 548 HB2 ASN 79 1HB ASN 79 -10.145 -4.717 0.965 549 HB3 ASN 79 2HB ASN 79 -9.510 -5.230 2.526 550 HD21 ASN 79 1HD2 ASN 79 -11.085 -5.200 4.338 551 HD22 ASN 79 2HD2 ASN 79 -12.705 -5.695 3.997 552 H ALA 80 H ALA 80 -8.106 -1.881 3.455 553 HA ALA 80 HA ALA 80 -6.759 -1.456 0.870 554 HB1 ALA 80 1HB ALA 80 -5.778 0.526 1.778 555 HB2 ALA 80 2HB ALA 80 -7.511 0.579 2.100 556 HB3 ALA 80 3HB ALA 80 -6.388 0.152 3.391 557 H ARG 81 H ARG 81 -4.414 -1.497 0.865 558 HA ARG 81 HA ARG 81 -2.984 -2.626 3.075 559 HB2 ARG 81 1HB ARG 81 -2.346 -4.727 1.986 560 HB3 ARG 81 2HB ARG 81 -4.082 -4.651 2.255 561 HG2 ARG 81 1HG ARG 81 -4.214 -3.808 -0.167 562 HG3 ARG 81 2HG ARG 81 -2.567 -4.425 -0.315 563 HD2 ARG 81 1HD ARG 81 -3.366 -6.634 0.451 564 HD3 ARG 81 2HD ARG 81 -5.010 -5.999 0.489 565 HE ARG 81 HE ARG 81 -4.136 -5.507 -2.052 566 HH11 ARG 81 2HH1 ARG 81 -4.428 -8.333 -0.042 567 HH12 ARG 81 1HH1 ARG 81 -4.695 -9.412 -1.371 568 HH21 ARG 81 2HH2 ARG 81 -4.486 -6.916 -3.811 569 HH22 ARG 81 1HH2 ARG 81 -4.727 -8.604 -3.515 570 H VAL 82 H VAL 82 -1.058 -1.696 2.992 571 HA VAL 82 HA VAL 82 -0.037 -0.754 0.413 572 HB VAL 82 HB VAL 82 -0.230 0.831 2.359 573 HG11 VAL 82 1HG1 VAL 82 1.172 -1.239 3.676 574 HG12 VAL 82 2HG1 VAL 82 2.237 0.168 3.622 575 HG13 VAL 82 3HG1 VAL 82 0.629 0.304 4.335 576 HG21 VAL 82 1HG2 VAL 82 1.827 1.962 1.873 577 HG22 VAL 82 2HG2 VAL 82 2.580 0.463 1.329 578 HG23 VAL 82 3HG2 VAL 82 1.266 1.180 0.396 579 H LYS 83 H LYS 83 2.154 -1.098 -0.192 580 HA LYS 83 HA LYS 83 3.690 -3.083 1.272 581 HB2 LYS 83 1HB LYS 83 3.964 -4.534 -0.702 582 HB3 LYS 83 2HB LYS 83 2.294 -4.476 -0.151 583 HG2 LYS 83 1HG LYS 83 1.601 -3.221 -1.973 584 HG3 LYS 83 2HG LYS 83 3.236 -2.663 -2.335 585 HD2 LYS 83 1HD LYS 83 3.627 -5.274 -2.671 586 HD3 LYS 83 2HD LYS 83 1.899 -5.222 -3.025 587 HE2 LYS 83 1HE LYS 83 3.059 -4.953 -5.087 588 HE3 LYS 83 2HE LYS 83 2.377 -3.385 -4.657 589 HZ1 LYS 83 1HZ LYS 83 4.706 -3.304 -5.467 590 HZ2 LYS 83 2HZ LYS 83 5.183 -4.172 -4.096 591 HZ3 LYS 83 3HZ LYS 83 4.499 -2.634 -3.927 592 H ALA 84 H ALA 84 5.820 -3.517 0.045 593 HA ALA 84 HA ALA 84 6.767 -0.951 -1.052 594 HB1 ALA 84 1HB ALA 84 7.668 -1.829 1.195 595 HB2 ALA 84 2HB ALA 84 8.571 -2.981 0.210 596 HB3 ALA 84 3HB ALA 84 8.822 -1.249 -0.006 597 H PHE 85 H PHE 85 8.094 -0.941 -2.854 598 HA PHE 85 HA PHE 85 8.717 -3.486 -4.142 599 HB2 PHE 85 1HB PHE 85 7.512 -3.136 -6.072 600 HB3 PHE 85 2HB PHE 85 6.432 -2.390 -4.898 601 HD1 PHE 85 1HD PHE 85 9.110 -1.638 -7.347 602 HD2 PHE 85 2HD PHE 85 5.819 -0.149 -5.097 603 HE1 PHE 85 1HE PHE 85 9.206 0.472 -8.610 604 HE2 PHE 85 2HE PHE 85 5.909 1.963 -6.356 605 HZ PHE 85 HZ PHE 85 7.603 2.275 -8.116 606 H ASN 86 H ASN 86 10.514 -3.432 -5.443 607 HA ASN 86 HA ASN 86 11.735 -0.893 -6.135 608 HB2 ASN 86 1HB ASN 86 13.912 -1.534 -5.083 609 HB3 ASN 86 2HB ASN 86 12.636 -1.194 -3.918 610 HD21 ASN 86 1HD2 ASN 86 14.238 -2.429 -2.588 611 HD22 ASN 86 2HD2 ASN 86 14.043 -4.144 -2.516 612 H LYS 87 H LYS 87 14.054 -1.486 -7.129 613 HA LYS 87 HA LYS 87 13.726 -2.641 -9.544 614 HB2 LYS 87 1HB LYS 87 16.229 -3.266 -9.376 615 HB3 LYS 87 2HB LYS 87 15.775 -1.573 -9.231 616 HG2 LYS 87 1HG LYS 87 17.159 -1.674 -7.456 617 HG3 LYS 87 2HG LYS 87 15.701 -2.255 -6.648 618 HD2 LYS 87 1HD LYS 87 16.534 -4.596 -7.445 619 HD3 LYS 87 2HD LYS 87 18.096 -3.784 -7.579 620 HE2 LYS 87 1HE LYS 87 16.478 -3.528 -5.077 621 HE3 LYS 87 2HE LYS 87 17.438 -4.979 -5.361 622 HZ1 LYS 87 1HZ LYS 87 18.301 -2.279 -4.741 623 HZ2 LYS 87 2HZ LYS 87 19.223 -3.083 -5.909 624 HZ3 LYS 87 3HZ LYS 87 19.028 -3.761 -4.372 625 H THR 88 H THR 88 14.524 -4.344 -6.554 626 HA THR 88 HA THR 88 15.069 -6.868 -7.528 627 HB THR 88 HB THR 88 13.528 -6.208 -5.010 628 HG1 THR 88 1HG THR 88 16.290 -6.796 -5.163 629 HG21 THR 88 1HG2 THR 88 15.250 -8.538 -4.932 630 HG22 THR 88 2HG2 THR 88 13.997 -8.694 -6.164 631 HG23 THR 88 3HG2 THR 88 13.551 -8.380 -4.487 632 H GLY 89 H GLY 89 11.874 -5.728 -6.398 633 HA2 GLY 89 1HA GLY 89 10.393 -6.699 -8.542 634 HA3 GLY 89 2HA GLY 89 10.485 -8.003 -7.366 635 H VAL 90 H VAL 90 9.012 -8.046 -5.794 636 HA VAL 90 HA VAL 90 7.821 -5.608 -4.787 637 HB VAL 90 HB VAL 90 5.487 -6.837 -5.163 638 HG11 VAL 90 1HG1 VAL 90 5.075 -5.332 -7.003 639 HG12 VAL 90 2HG1 VAL 90 6.109 -4.533 -5.818 640 HG13 VAL 90 3HG1 VAL 90 6.805 -5.175 -7.306 641 HG21 VAL 90 1HG2 VAL 90 7.242 -7.787 -7.412 642 HG22 VAL 90 2HG2 VAL 90 6.206 -8.743 -6.353 643 HG23 VAL 90 3HG2 VAL 90 5.488 -7.677 -7.560 644 H SER 91 H SER 91 6.349 -6.030 -2.958 645 HA SER 91 HA SER 91 7.029 -8.560 -1.605 646 HB2 SER 91 1HB SER 91 7.077 -5.747 -0.668 647 HB3 SER 91 2HB SER 91 6.449 -6.936 0.473 648 HG SER 91 HG SER 91 8.579 -6.994 0.836 649 HA PRO 92 HA PRO 92 2.780 -9.441 -0.966 650 HB2 PRO 92 1HB PRO 92 2.716 -10.346 1.592 651 HB3 PRO 92 2HB PRO 92 3.427 -11.270 0.264 652 HG2 PRO 92 1HG PRO 92 4.778 -9.571 2.325 653 HG3 PRO 92 2HG PRO 92 5.249 -11.164 1.705 654 HD2 PRO 92 1HD PRO 92 6.407 -8.869 0.855 655 HD3 PRO 92 2HD PRO 92 6.198 -10.281 -0.201 656 H TYR 93 H TYR 93 0.939 -8.400 -0.428 657 HA TYR 93 HA TYR 93 1.005 -5.839 0.702 658 HB2 TYR 93 1HB TYR 93 -1.329 -7.723 0.315 659 HB3 TYR 93 2HB TYR 93 -1.482 -6.020 0.734 660 HD1 TYR 93 1HD TYR 93 -0.437 -4.320 -0.904 661 HD2 TYR 93 2HD TYR 93 -1.242 -8.372 -1.922 662 HE1 TYR 93 1HE TYR 93 -0.389 -3.724 -3.290 663 HE2 TYR 93 2HE TYR 93 -1.195 -7.787 -4.310 664 HH TYR 93 HH TYR 93 -0.090 -5.910 -5.725 665 H SER 94 H SER 94 0.405 -5.032 2.694 666 HA SER 94 HA SER 94 0.942 -6.694 4.939 667 HB2 SER 94 1HB SER 94 0.386 -4.678 6.274 668 HB3 SER 94 2HB SER 94 1.525 -4.326 4.975 669 HG SER 94 HG SER 94 -0.378 -3.660 3.741 670 H LYS 95 H LYS 95 -0.530 -6.879 6.823 671 HA LYS 95 HA LYS 95 -2.733 -8.368 6.398 672 HB2 LYS 95 1HB LYS 95 -1.616 -7.674 8.620 673 HB3 LYS 95 2HB LYS 95 -2.759 -6.337 8.617 674 HG2 LYS 95 1HG LYS 95 -4.611 -7.787 8.771 675 HG3 LYS 95 2HG LYS 95 -3.629 -9.202 8.382 676 HD2 LYS 95 1HD LYS 95 -2.897 -7.603 10.781 677 HD3 LYS 95 2HD LYS 95 -4.331 -8.629 10.872 678 HE2 LYS 95 1HE LYS 95 -2.836 -10.492 9.968 679 HE3 LYS 95 2HE LYS 95 -1.482 -9.429 10.347 680 HZ1 LYS 95 1HZ LYS 95 -3.169 -10.965 12.114 681 HZ2 LYS 95 2HZ LYS 95 -2.895 -9.378 12.631 682 HZ3 LYS 95 3HZ LYS 95 -1.587 -10.410 12.339 683 H THR 96 H THR 96 -4.829 -8.124 5.840 684 HA THR 96 HA THR 96 -5.679 -5.902 4.396 685 HB THR 96 HB THR 96 -7.490 -7.878 5.793 686 HG1 THR 96 1HG THR 96 -5.819 -8.106 3.566 687 HG21 THR 96 1HG2 THR 96 -8.253 -6.954 3.149 688 HG22 THR 96 2HG2 THR 96 -8.102 -5.623 4.296 689 HG23 THR 96 3HG2 THR 96 -9.182 -6.971 4.647 690 H LEU 97 H LEU 97 -5.738 -3.918 5.279 691 HA LEU 97 HA LEU 97 -6.835 -3.546 7.955 692 HB2 LEU 97 1HB LEU 97 -4.878 -2.318 7.683 693 HB3 LEU 97 2HB LEU 97 -5.305 -1.822 6.047 694 HG LEU 97 HG LEU 97 -7.190 -0.474 7.220 695 HD11 LEU 97 1HD1 LEU 97 -5.421 -1.265 9.483 696 HD12 LEU 97 2HD1 LEU 97 -7.176 -1.095 9.427 697 HD13 LEU 97 3HD1 LEU 97 -6.153 0.341 9.481 698 HD21 LEU 97 1HD2 LEU 97 -5.138 1.190 7.900 699 HD22 LEU 97 2HD2 LEU 97 -5.790 0.996 6.273 700 HD23 LEU 97 3HD2 LEU 97 -4.355 0.093 6.762 701 H VAL 98 H VAL 98 -8.962 -3.327 8.126 702 HA VAL 98 HA VAL 98 -10.596 -2.461 5.926 703 HB VAL 98 HB VAL 98 -11.445 -2.889 8.791 704 HG11 VAL 98 1HG1 VAL 98 -13.011 -2.997 6.215 705 HG12 VAL 98 2HG1 VAL 98 -13.650 -3.265 7.838 706 HG13 VAL 98 3HG1 VAL 98 -13.044 -1.673 7.378 707 HG21 VAL 98 1HG2 VAL 98 -11.363 -5.107 8.534 708 HG22 VAL 98 2HG2 VAL 98 -12.030 -5.029 6.904 709 HG23 VAL 98 3HG2 VAL 98 -10.302 -4.790 7.162 710 H LEU 99 H LEU 99 -11.775 -0.574 5.739 711 HA LEU 99 HA LEU 99 -10.996 1.595 7.576 712 HB2 LEU 99 1HB LEU 99 -11.675 1.735 4.643 713 HB3 LEU 99 2HB LEU 99 -11.355 3.129 5.673 714 HG LEU 99 HG LEU 99 -9.056 2.014 6.073 715 HD11 LEU 99 1HD1 LEU 99 -9.578 -0.139 5.079 716 HD12 LEU 99 2HD1 LEU 99 -8.276 0.652 4.193 717 HD13 LEU 99 3HD1 LEU 99 -9.910 0.636 3.530 718 HD21 LEU 99 1HD2 LEU 99 -8.432 2.877 3.619 719 HD22 LEU 99 2HD2 LEU 99 -8.818 3.966 4.952 720 HD23 LEU 99 3HD2 LEU 99 -10.052 3.560 3.758 721 H GLN 100 H GLN 100 -13.004 0.384 8.605 722 HA GLN 100 HA GLN 100 -15.576 0.600 7.745 723 HB2 GLN 100 1HB GLN 100 -14.361 0.874 10.470 724 HB3 GLN 100 2HB GLN 100 -16.091 1.105 10.258 725 HG2 GLN 100 1HG GLN 100 -14.507 -1.367 9.606 726 HG3 GLN 100 2HG GLN 100 -15.655 -1.158 10.926 727 HE21 GLN 100 1HE2 GLN 100 -15.286 -1.474 7.470 728 HE22 GLN 100 2HE2 GLN 100 -16.926 -1.905 7.137 729 H THR 101 H THR 101 -16.364 2.305 6.666 730 HA THR 101 HA THR 101 -15.782 5.014 7.532 731 HB THR 101 HB THR 101 -17.082 5.708 5.549 732 HG1 THR 101 1HG THR 101 -17.353 2.907 5.081 733 HG21 THR 101 1HG2 THR 101 -14.591 4.825 5.560 734 HG22 THR 101 2HG2 THR 101 -15.401 5.254 4.053 735 HG23 THR 101 3HG2 THR 101 -15.278 3.563 4.538 736 H SER 102 H SER 102 -17.399 6.564 8.043 737 HA SER 102 HA SER 102 -19.523 5.481 9.654 738 HB2 SER 102 1HB SER 102 -18.777 8.347 9.023 739 HB3 SER 102 2HB SER 102 -19.984 7.855 10.211 740 HG SER 102 HG SER 102 -17.190 7.414 10.256 741 H GLU 103 H GLU 103 -21.764 6.130 9.465 742 HA GLU 103 HA GLU 103 -22.864 5.638 6.959 743 HB2 GLU 103 1HB GLU 103 -24.993 6.282 7.913 744 HB3 GLU 103 2HB GLU 103 -24.072 5.373 9.103 745 HG2 GLU 103 1HG GLU 103 -23.695 7.223 10.426 746 HG3 GLU 103 2HG GLU 103 -23.956 8.354 9.099 747 H GLY 104 H GLY 104 -23.996 6.985 5.481 748 HA2 GLY 104 1HA GLY 104 -22.674 9.513 5.044 749 HA3 GLY 104 2HA GLY 104 -23.869 8.763 3.997 750 H SER 105 H SER 105 -23.474 10.578 7.007 751 HA SER 105 HA SER 105 -26.287 11.222 7.134 752 HB2 SER 105 1HB SER 105 -25.637 12.581 9.104 753 HB3 SER 105 2HB SER 105 -25.047 10.923 9.214 754 HG SER 105 HG SER 105 -23.632 13.108 9.414 755 H GLY 106 H GLY 106 -25.195 12.024 4.703 756 HA2 GLY 106 1HA GLY 106 -25.614 13.894 3.366 757 HA3 GLY 106 2HA GLY 106 -25.771 14.869 4.819 758 HA PRO 107 HA PRO 107 -21.732 15.892 2.759 759 HB2 PRO 107 1HB PRO 107 -22.085 18.582 2.856 760 HB3 PRO 107 2HB PRO 107 -22.682 17.582 1.526 761 HG2 PRO 107 1HG PRO 107 -24.159 18.659 3.896 762 HG3 PRO 107 2HG PRO 107 -24.667 18.588 2.199 763 HD2 PRO 107 1HD PRO 107 -25.515 16.802 4.050 764 HD3 PRO 107 2HD PRO 107 -25.278 16.370 2.344 765 H SER 108 H SER 108 -23.145 16.128 5.748 766 HA SER 108 HA SER 108 -22.403 16.593 7.848 767 HB2 SER 108 1HB SER 108 -20.528 15.081 6.869 768 HB3 SER 108 2HB SER 108 -19.582 16.568 6.807 769 HG SER 108 HG SER 108 -19.224 16.280 8.845 770 H SER 109 H SER 109 -23.266 18.811 6.698 771 HA SER 109 HA SER 109 -21.433 20.919 6.387 772 HB2 SER 109 1HB SER 109 -23.490 22.371 6.860 773 HB3 SER 109 2HB SER 109 -23.602 21.256 5.498 774 HG SER 109 HG SER 109 -24.628 20.826 8.111 775 H GLY 110 H GLY 110 -22.355 19.239 9.153 776 HA2 GLY 110 1HA GLY 110 -22.271 19.726 11.421 777 HA3 GLY 110 2HA GLY 110 -20.691 20.338 10.954
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