NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
650730 | 6xeh | 30763 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 16.262 11.207 -2.403 2 H2 MET 1 2H MET 1 16.265 9.766 -3.287 3 H3 MET 1 3H MET 1 15.967 9.736 -1.627 4 HA MET 1 HA MET 1 13.941 10.949 -1.907 5 HB2 MET 1 2HB MET 1 14.599 10.782 -4.878 6 HB3 MET 1 3HB MET 1 13.043 11.287 -4.241 7 HG2 MET 1 2HG MET 1 15.432 12.815 -3.302 8 HG3 MET 1 3HG MET 1 14.939 13.037 -4.975 9 HE1 MET 1 1HE MET 1 12.318 14.208 -1.321 10 HE2 MET 1 2HE MET 1 13.988 13.660 -1.191 11 HE3 MET 1 3HE MET 1 12.718 12.519 -1.635 12 H GLY 2 H GLY 2 13.952 8.794 -0.869 13 HA2 GLY 2 2HA GLY 2 13.003 6.509 -2.389 14 HA3 GLY 2 3HA GLY 2 13.090 6.667 -0.635 15 H LYS 3 H LYS 3 11.248 7.535 -3.489 16 HA LYS 3 HA LYS 3 9.227 9.057 -2.249 17 HB2 LYS 3 2HB LYS 3 9.776 9.123 -4.691 18 HB3 LYS 3 3HB LYS 3 9.088 7.516 -4.876 19 HG2 LYS 3 2HG LYS 3 7.494 9.186 -5.642 20 HG3 LYS 3 3HG LYS 3 6.863 8.387 -4.196 21 HD2 LYS 3 2HD LYS 3 7.620 10.336 -2.824 22 HD3 LYS 3 3HD LYS 3 8.210 11.126 -4.289 23 HE2 LYS 3 2HE LYS 3 5.892 11.187 -5.166 24 HE3 LYS 3 3HE LYS 3 5.318 10.412 -3.686 25 HZ1 LYS 3 1HZ LYS 3 6.572 13.091 -3.932 26 HZ2 LYS 3 2HZ LYS 3 6.249 12.339 -2.459 27 HZ3 LYS 3 3HZ LYS 3 4.979 12.743 -3.492 28 H VAL 4 H VAL 4 8.338 8.030 -0.490 29 HA VAL 4 HA VAL 4 6.977 5.460 -0.737 30 HB VAL 4 HB VAL 4 6.883 7.389 1.631 31 HG11 VAL 4 1HG1 VAL 4 5.103 5.668 1.608 32 HG12 VAL 4 2HG1 VAL 4 6.232 5.401 2.937 33 HG13 VAL 4 3HG1 VAL 4 6.325 4.396 1.488 34 HG21 VAL 4 1HG2 VAL 4 8.840 5.094 1.241 35 HG22 VAL 4 2HG2 VAL 4 8.682 6.089 2.687 36 HG23 VAL 4 3HG2 VAL 4 9.243 6.810 1.179 37 H VAL 5 H VAL 5 4.948 5.417 -1.557 38 HA VAL 5 HA VAL 5 3.147 7.719 -1.050 39 HB VAL 5 HB VAL 5 3.195 5.989 -3.566 40 HG11 VAL 5 1HG1 VAL 5 1.390 7.491 -4.395 41 HG12 VAL 5 2HG1 VAL 5 1.338 8.284 -2.818 42 HG13 VAL 5 3HG1 VAL 5 0.884 6.586 -2.965 43 HG21 VAL 5 1HG2 VAL 5 5.013 7.654 -3.553 44 HG22 VAL 5 2HG2 VAL 5 3.851 8.939 -3.208 45 HG23 VAL 5 3HG2 VAL 5 3.786 8.082 -4.751 46 H PHE 6 H PHE 6 1.692 7.092 0.388 47 HA PHE 6 HA PHE 6 0.635 4.386 0.495 48 HB2 PHE 6 2HB PHE 6 1.071 5.622 2.601 49 HB3 PHE 6 3HB PHE 6 -0.066 6.873 2.110 50 HD1 PHE 6 HD1 PHE 6 0.085 3.171 2.616 51 HD2 PHE 6 HD2 PHE 6 -2.290 6.713 2.931 52 HE1 PHE 6 HE1 PHE 6 -1.725 1.863 3.611 53 HE2 PHE 6 HE2 PHE 6 -4.100 5.388 3.930 54 HZ PHE 6 HZ PHE 6 -3.816 2.964 4.260 55 H LEU 7 H LEU 7 -1.468 3.854 0.020 56 HA LEU 7 HA LEU 7 -3.295 5.787 -1.238 57 HB2 LEU 7 2HB LEU 7 -2.214 4.617 -3.086 58 HB3 LEU 7 3HB LEU 7 -2.461 3.062 -2.312 59 HG LEU 7 HG LEU 7 -4.930 3.286 -2.662 60 HD11 LEU 7 1HD1 LEU 7 -5.138 5.714 -2.658 61 HD12 LEU 7 2HD1 LEU 7 -5.834 5.031 -4.125 62 HD13 LEU 7 3HD1 LEU 7 -4.254 5.817 -4.183 63 HD21 LEU 7 1HD2 LEU 7 -3.580 2.067 -4.303 64 HD22 LEU 7 2HD2 LEU 7 -3.309 3.556 -5.212 65 HD23 LEU 7 3HD2 LEU 7 -4.936 2.884 -5.079 66 H SER 8 H SER 8 -5.266 5.660 -0.277 67 HA SER 8 HA SER 8 -6.473 3.093 0.293 68 HB2 SER 8 2HB SER 8 -5.451 3.538 2.478 69 HB3 SER 8 3HB SER 8 -6.112 5.171 2.501 70 HG SER 8 HG SER 8 -7.880 4.373 3.287 71 H ASP 9 H ASP 9 -8.618 3.173 -0.002 72 HA ASP 9 HA ASP 9 -9.844 5.460 -1.234 73 HB2 ASP 9 2HB ASP 9 -10.341 3.160 -1.962 74 HB3 ASP 9 3HB ASP 9 -10.952 2.752 -0.361 75 H ASP 10 H ASP 10 -9.579 4.292 1.987 76 HA ASP 10 HA ASP 10 -11.891 5.835 2.984 77 HB2 ASP 10 2HB ASP 10 -11.704 3.427 3.642 78 HB3 ASP 10 3HB ASP 10 -10.154 3.763 4.400 79 H GLN 11 H GLN 11 -11.629 7.614 4.207 80 HA GLN 11 HA GLN 11 -9.180 9.028 4.295 81 HB2 GLN 11 2HB GLN 11 -11.319 10.202 4.150 82 HB3 GLN 11 3HB GLN 11 -11.824 9.559 5.705 83 HG2 GLN 11 2HG GLN 11 -11.179 11.879 5.970 84 HG3 GLN 11 3HG GLN 11 -10.022 10.863 6.821 85 HE21 GLN 11 1HE2 GLN 11 -7.893 10.688 5.994 86 HE22 GLN 11 2HE2 GLN 11 -7.265 11.825 4.858 87 H GLU 12 H GLU 12 -10.999 7.312 6.877 88 HA GLU 12 HA GLU 12 -9.422 8.254 9.040 89 HB2 GLU 12 2HB GLU 12 -11.212 5.803 8.843 90 HB3 GLU 12 3HB GLU 12 -10.469 6.361 10.345 91 HG2 GLU 12 2HG GLU 12 -11.675 8.529 10.103 92 HG3 GLU 12 3HG GLU 12 -12.468 7.904 8.653 93 H ILE 13 H ILE 13 -8.938 5.661 6.789 94 HA ILE 13 HA ILE 13 -6.862 4.260 8.179 95 HB ILE 13 HB ILE 13 -7.429 4.510 5.192 96 HG12 ILE 13 2HG1 ILE 13 -9.285 3.412 6.513 97 HG13 ILE 13 3HG1 ILE 13 -8.562 2.361 5.306 98 HG21 ILE 13 1HG2 ILE 13 -6.003 2.539 4.899 99 HG22 ILE 13 2HG2 ILE 13 -5.626 2.536 6.622 100 HG23 ILE 13 3HG2 ILE 13 -5.101 3.877 5.604 101 HD11 ILE 13 1HD1 ILE 13 -8.026 2.274 8.265 102 HD12 ILE 13 2HD1 ILE 13 -7.319 1.202 7.060 103 HD13 ILE 13 3HD1 ILE 13 -9.056 1.176 7.356 104 H ILE 14 H ILE 14 -6.915 6.732 5.606 105 HA ILE 14 HA ILE 14 -4.207 7.244 5.232 106 HB ILE 14 HB ILE 14 -6.655 9.032 4.899 107 HG12 ILE 14 2HG1 ILE 14 -4.936 7.571 2.840 108 HG13 ILE 14 3HG1 ILE 14 -6.517 7.045 3.409 109 HG21 ILE 14 1HG2 ILE 14 -5.292 10.590 3.532 110 HG22 ILE 14 2HG2 ILE 14 -3.839 9.697 3.980 111 HG23 ILE 14 3HG2 ILE 14 -4.763 10.551 5.214 112 HD11 ILE 14 1HD1 ILE 14 -7.517 9.073 2.417 113 HD12 ILE 14 2HD1 ILE 14 -6.697 8.058 1.232 114 HD13 ILE 14 3HD1 ILE 14 -5.925 9.534 1.805 115 H GLU 15 H GLU 15 -6.448 8.575 7.629 116 HA GLU 15 HA GLU 15 -4.854 10.692 8.614 117 HB2 GLU 15 2HB GLU 15 -7.152 9.172 9.921 118 HB3 GLU 15 3HB GLU 15 -6.429 10.638 10.593 119 HG2 GLU 15 2HG GLU 15 -7.083 11.871 8.544 120 HG3 GLU 15 3HG GLU 15 -7.852 10.413 7.921 121 H GLU 16 H GLU 16 -5.224 7.313 9.598 122 HA GLU 16 HA GLU 16 -3.638 7.535 11.980 123 HB2 GLU 16 2HB GLU 16 -4.642 5.113 10.446 124 HB3 GLU 16 3HB GLU 16 -3.819 5.023 11.998 125 HG2 GLU 16 2HG GLU 16 -6.488 6.306 11.413 126 HG3 GLU 16 3HG GLU 16 -6.188 4.851 12.352 127 H VAL 17 H VAL 17 -3.011 6.426 8.675 128 HA VAL 17 HA VAL 17 -0.346 5.527 9.089 129 HB VAL 17 HB VAL 17 -1.833 6.451 6.589 130 HG11 VAL 17 1HG1 VAL 17 0.876 5.076 6.722 131 HG12 VAL 17 2HG1 VAL 17 0.569 6.719 6.155 132 HG13 VAL 17 3HG1 VAL 17 -0.063 5.343 5.250 133 HG21 VAL 17 1HG2 VAL 17 -2.761 4.436 7.650 134 HG22 VAL 17 2HG2 VAL 17 -1.171 3.667 7.628 135 HG23 VAL 17 3HG2 VAL 17 -1.999 4.023 6.113 136 H SER 18 H SER 18 -1.741 8.629 8.078 137 HA SER 18 HA SER 18 0.670 10.087 7.779 138 HB2 SER 18 2HB SER 18 -1.481 10.851 6.818 139 HB3 SER 18 3HB SER 18 -2.138 11.092 8.434 140 HG SER 18 HG SER 18 -0.974 12.883 8.658 141 H LYS 19 H LYS 19 -1.353 9.284 10.548 142 HA LYS 19 HA LYS 19 -0.218 11.150 12.382 143 HB2 LYS 19 2HB LYS 19 -2.470 10.078 12.689 144 HB3 LYS 19 3HB LYS 19 -1.669 8.549 13.017 145 HG2 LYS 19 2HG LYS 19 -2.393 9.699 15.080 146 HG3 LYS 19 3HG LYS 19 -0.651 9.441 15.038 147 HD2 LYS 19 2HD LYS 19 -1.233 11.698 15.904 148 HD3 LYS 19 3HD LYS 19 -0.269 11.787 14.430 149 HE2 LYS 19 2HE LYS 19 -2.446 12.131 13.155 150 HE3 LYS 19 3HE LYS 19 -3.255 12.266 14.719 151 HZ1 LYS 19 1HZ LYS 19 -1.882 14.156 15.236 152 HZ2 LYS 19 2HZ LYS 19 -2.667 14.416 13.765 153 HZ3 LYS 19 3HZ LYS 19 -1.032 13.998 13.785 154 H LYS 20 H LYS 20 0.296 7.689 11.769 155 HA LYS 20 HA LYS 20 2.417 7.227 13.537 156 HB2 LYS 20 2HB LYS 20 1.188 5.421 12.352 157 HB3 LYS 20 3HB LYS 20 1.896 5.936 10.827 158 HG2 LYS 20 2HG LYS 20 3.060 3.963 11.643 159 HG3 LYS 20 3HG LYS 20 4.150 5.350 11.672 160 HD2 LYS 20 2HD LYS 20 4.501 4.122 13.706 161 HD3 LYS 20 3HD LYS 20 3.654 5.605 14.144 162 HE2 LYS 20 2HE LYS 20 2.690 3.755 15.378 163 HE3 LYS 20 3HE LYS 20 1.506 4.287 14.183 164 HZ1 LYS 20 1HZ LYS 20 1.649 1.890 14.254 165 HZ2 LYS 20 2HZ LYS 20 3.311 1.932 13.939 166 HZ3 LYS 20 3HZ LYS 20 2.212 2.442 12.756 167 H ALA 21 H ALA 21 2.390 8.444 10.206 168 HA ALA 21 HA ALA 21 5.192 8.687 9.843 169 HB1 ALA 21 1HB ALA 21 2.951 10.217 8.488 170 HB2 ALA 21 2HB ALA 21 3.599 8.659 7.971 171 HB3 ALA 21 3HB ALA 21 4.620 10.098 7.919 172 H GLU 22 H GLU 22 2.814 10.712 11.425 173 HA GLU 22 HA GLU 22 4.423 13.080 11.645 174 HB2 GLU 22 2HB GLU 22 1.940 13.109 11.759 175 HB3 GLU 22 3HB GLU 22 1.997 12.191 13.258 176 HG2 GLU 22 2HG GLU 22 3.195 14.089 14.344 177 HG3 GLU 22 3HG GLU 22 3.055 15.002 12.843 178 H GLU 23 H GLU 23 3.492 10.530 13.997 179 HA GLU 23 HA GLU 23 4.943 11.338 16.193 180 HB2 GLU 23 2HB GLU 23 4.424 8.446 15.388 181 HB3 GLU 23 3HB GLU 23 4.764 9.028 17.016 182 HG2 GLU 23 2HG GLU 23 2.282 9.605 15.372 183 HG3 GLU 23 3HG GLU 23 2.398 8.492 16.727 184 H GLU 24 H GLU 24 5.947 9.083 13.634 185 HA GLU 24 HA GLU 24 8.610 8.709 14.732 186 HB2 GLU 24 2HB GLU 24 7.171 7.631 12.284 187 HB3 GLU 24 3HB GLU 24 8.836 7.209 12.673 188 HG2 GLU 24 2HG GLU 24 6.501 6.687 14.546 189 HG3 GLU 24 3HG GLU 24 7.073 5.524 13.351 190 H GLY 25 H GLY 25 7.123 10.805 12.416 191 HA2 GLY 25 2HA GLY 25 7.966 12.474 11.082 192 HA3 GLY 25 3HA GLY 25 9.569 12.154 11.729 193 H TYR 26 H TYR 26 7.427 9.872 10.050 194 HA TYR 26 HA TYR 26 9.489 9.190 8.119 195 HB2 TYR 26 2HB TYR 26 6.677 8.111 8.555 196 HB3 TYR 26 3HB TYR 26 7.739 7.535 7.276 197 HD1 TYR 26 HD1 TYR 26 10.289 7.767 9.266 198 HD2 TYR 26 HD2 TYR 26 6.487 5.809 9.421 199 HE1 TYR 26 HE1 TYR 26 11.230 6.057 10.751 200 HE2 TYR 26 HE2 TYR 26 7.431 4.110 10.906 201 HH TYR 26 HH TYR 26 10.331 4.447 12.518 202 H ASP 27 H ASP 27 9.440 9.516 5.950 203 HA ASP 27 HA ASP 27 7.812 11.655 4.837 204 HB2 ASP 27 2HB ASP 27 9.956 9.890 3.546 205 HB3 ASP 27 3HB ASP 27 9.244 11.331 2.820 206 H ILE 28 H ILE 28 5.727 11.025 4.317 207 HA ILE 28 HA ILE 28 5.416 8.851 2.327 208 HB ILE 28 HB ILE 28 3.296 9.338 4.476 209 HG12 ILE 28 2HG1 ILE 28 5.328 7.060 4.440 210 HG13 ILE 28 3HG1 ILE 28 5.348 8.407 5.574 211 HG21 ILE 28 1HG2 ILE 28 2.334 7.213 3.678 212 HG22 ILE 28 2HG2 ILE 28 3.641 7.054 2.502 213 HG23 ILE 28 3HG2 ILE 28 2.480 8.375 2.356 214 HD11 ILE 28 1HD1 ILE 28 3.223 6.274 5.352 215 HD12 ILE 28 2HD1 ILE 28 3.158 7.661 6.443 216 HD13 ILE 28 3HD1 ILE 28 4.429 6.455 6.626 217 H GLN 29 H GLN 29 4.098 9.425 0.630 218 HA GLN 29 HA GLN 29 2.439 11.860 0.773 219 HB2 GLN 29 2HB GLN 29 3.966 11.800 -1.158 220 HB3 GLN 29 3HB GLN 29 3.380 10.207 -1.616 221 HG2 GLN 29 2HG GLN 29 2.452 11.990 -3.054 222 HG3 GLN 29 3HG GLN 29 1.195 11.112 -2.184 223 HE21 GLN 29 1HE2 GLN 29 3.234 13.680 -0.803 224 HE22 GLN 29 2HE2 GLN 29 1.947 14.798 -0.564 225 H THR 30 H THR 30 0.358 11.439 1.343 226 HA THR 30 HA THR 30 -0.748 8.729 0.937 227 HB THR 30 HB THR 30 -2.554 9.476 2.512 228 HG1 THR 30 HG1 THR 30 -2.487 11.715 2.170 229 HG21 THR 30 1HG2 THR 30 0.253 9.865 3.622 230 HG22 THR 30 2HG2 THR 30 -0.576 8.316 3.437 231 HG23 THR 30 3HG2 THR 30 -1.195 9.519 4.573 232 H SER 31 H SER 31 -2.388 8.356 -0.441 233 HA SER 31 HA SER 31 -3.786 10.582 -1.787 234 HB2 SER 31 2HB SER 31 -1.995 9.813 -3.310 235 HB3 SER 31 3HB SER 31 -2.550 8.147 -3.160 236 HG SER 31 HG SER 31 -3.275 9.348 -5.071 237 H ASN 32 H ASN 32 -5.877 10.087 -2.460 238 HA ASN 32 HA ASN 32 -7.118 7.745 -1.174 239 HB2 ASN 32 2HB ASN 32 -7.951 10.044 -0.591 240 HB3 ASN 32 3HB ASN 32 -8.432 10.267 -2.269 241 HD21 ASN 32 1HD2 ASN 32 -9.115 8.602 0.713 242 HD22 ASN 32 2HD2 ASN 32 -10.698 8.062 0.293 243 H ASP 33 H ASP 33 -6.413 9.133 -4.283 244 HA ASP 33 HA ASP 33 -8.490 7.580 -5.685 245 HB2 ASP 33 2HB ASP 33 -8.237 10.060 -6.089 246 HB3 ASP 33 3HB ASP 33 -6.647 9.751 -6.774 247 H LYS 34 H LYS 34 -7.968 5.677 -6.549 248 HA LYS 34 HA LYS 34 -5.352 4.602 -6.693 249 HB2 LYS 34 2HB LYS 34 -6.392 2.599 -7.578 250 HB3 LYS 34 3HB LYS 34 -7.442 3.268 -6.336 251 HG2 LYS 34 2HG LYS 34 -8.741 4.369 -8.298 252 HG3 LYS 34 3HG LYS 34 -7.834 3.272 -9.340 253 HD2 LYS 34 2HD LYS 34 -10.060 2.359 -8.807 254 HD3 LYS 34 3HD LYS 34 -8.784 1.333 -8.144 255 HE2 LYS 34 2HE LYS 34 -9.143 2.295 -5.910 256 HE3 LYS 34 3HE LYS 34 -10.352 3.404 -6.559 257 HZ1 LYS 34 1HZ LYS 34 -11.383 1.533 -5.484 258 HZ2 LYS 34 2HZ LYS 34 -10.559 0.448 -6.481 259 HZ3 LYS 34 3HZ LYS 34 -11.713 1.488 -7.142 260 H LYS 35 H LYS 35 -7.336 6.217 -9.147 261 HA LYS 35 HA LYS 35 -6.105 5.086 -11.470 262 HB2 LYS 35 2HB LYS 35 -7.623 7.725 -11.252 263 HB3 LYS 35 3HB LYS 35 -7.289 6.832 -12.738 264 HG2 LYS 35 2HG LYS 35 -8.702 4.960 -11.889 265 HG3 LYS 35 3HG LYS 35 -9.088 5.927 -10.458 266 HD2 LYS 35 2HD LYS 35 -9.734 6.671 -13.344 267 HD3 LYS 35 3HD LYS 35 -10.881 6.025 -12.170 268 HE2 LYS 35 2HE LYS 35 -9.425 8.688 -11.920 269 HE3 LYS 35 3HE LYS 35 -11.104 8.475 -12.421 270 HZ1 LYS 35 1HZ LYS 35 -10.966 9.068 -10.100 271 HZ2 LYS 35 2HZ LYS 35 -9.971 7.748 -9.772 272 HZ3 LYS 35 3HZ LYS 35 -11.571 7.496 -10.251 273 H GLU 36 H GLU 36 -5.587 8.017 -9.583 274 HA GLU 36 HA GLU 36 -3.567 9.291 -11.049 275 HB2 GLU 36 2HB GLU 36 -4.653 10.340 -9.091 276 HB3 GLU 36 3HB GLU 36 -3.963 9.114 -8.029 277 HG2 GLU 36 2HG GLU 36 -1.654 9.982 -8.843 278 HG3 GLU 36 3HG GLU 36 -2.541 11.369 -9.469 279 H ILE 37 H ILE 37 -3.429 6.812 -8.535 280 HA ILE 37 HA ILE 37 -0.628 6.707 -8.213 281 HB ILE 37 HB ILE 37 -2.817 4.718 -7.498 282 HG12 ILE 37 2HG1 ILE 37 -3.100 6.854 -6.351 283 HG13 ILE 37 3HG1 ILE 37 -2.521 5.672 -5.185 284 HG21 ILE 37 1HG2 ILE 37 -0.700 3.508 -7.585 285 HG22 ILE 37 2HG2 ILE 37 -1.215 3.703 -5.908 286 HG23 ILE 37 3HG2 ILE 37 0.068 4.725 -6.562 287 HD11 ILE 37 1HD1 ILE 37 -0.908 7.850 -6.504 288 HD12 ILE 37 2HD1 ILE 37 -0.239 6.613 -5.436 289 HD13 ILE 37 3HD1 ILE 37 -1.425 7.759 -4.823 290 H ILE 38 H ILE 38 -2.854 4.818 -10.218 291 HA ILE 38 HA ILE 38 -1.093 2.903 -11.272 292 HB ILE 38 HB ILE 38 -3.551 4.231 -12.508 293 HG12 ILE 38 2HG1 ILE 38 -3.274 1.497 -11.165 294 HG13 ILE 38 3HG1 ILE 38 -3.887 2.938 -10.366 295 HG21 ILE 38 1HG2 ILE 38 -2.128 1.724 -13.481 296 HG22 ILE 38 2HG2 ILE 38 -2.187 3.276 -14.318 297 HG23 ILE 38 3HG2 ILE 38 -3.664 2.340 -14.099 298 HD11 ILE 38 1HD1 ILE 38 -5.694 1.497 -11.031 299 HD12 ILE 38 2HD1 ILE 38 -5.157 1.534 -12.709 300 HD13 ILE 38 3HD1 ILE 38 -5.763 3.005 -11.942 301 H ASP 39 H ASP 39 -1.763 6.262 -12.220 302 HA ASP 39 HA ASP 39 -0.137 6.242 -14.585 303 HB2 ASP 39 2HB ASP 39 -2.092 7.780 -14.299 304 HB3 ASP 39 3HB ASP 39 -1.207 8.648 -13.043 305 H ARG 40 H ARG 40 0.425 7.046 -11.198 306 HA ARG 40 HA ARG 40 2.940 8.375 -11.577 307 HB2 ARG 40 2HB ARG 40 2.021 6.942 -9.051 308 HB3 ARG 40 3HB ARG 40 3.232 8.218 -9.176 309 HG2 ARG 40 2HG ARG 40 1.313 9.721 -10.001 310 HG3 ARG 40 3HG ARG 40 0.230 8.441 -9.462 311 HD2 ARG 40 2HD ARG 40 0.315 10.000 -7.684 312 HD3 ARG 40 3HD ARG 40 1.336 8.652 -7.170 313 HE ARG 40 HE ARG 40 3.157 10.252 -8.283 314 HH11 ARG 40 1HH1 ARG 40 0.575 11.085 -6.036 315 HH12 ARG 40 2HH1 ARG 40 1.449 12.419 -5.356 316 HH21 ARG 40 1HH2 ARG 40 4.236 12.041 -7.433 317 HH22 ARG 40 2HH2 ARG 40 3.522 12.958 -6.154 318 H LEU 41 H LEU 41 1.929 5.056 -11.017 319 HA LEU 41 HA LEU 41 4.559 3.899 -10.955 320 HB2 LEU 41 2HB LEU 41 1.815 2.681 -11.416 321 HB3 LEU 41 3HB LEU 41 3.288 1.745 -11.199 322 HG LEU 41 HG LEU 41 2.219 3.645 -9.070 323 HD11 LEU 41 1HD1 LEU 41 1.292 1.696 -7.916 324 HD12 LEU 41 2HD1 LEU 41 1.734 0.660 -9.277 325 HD13 LEU 41 3HD1 LEU 41 0.528 1.932 -9.487 326 HD21 LEU 41 1HD2 LEU 41 4.607 3.116 -8.864 327 HD22 LEU 41 2HD2 LEU 41 4.249 1.387 -8.911 328 HD23 LEU 41 3HD2 LEU 41 3.687 2.373 -7.557 329 H LYS 42 H LYS 42 2.211 4.701 -13.487 330 HA LYS 42 HA LYS 42 3.440 3.392 -15.687 331 HB2 LYS 42 2HB LYS 42 1.666 5.852 -15.497 332 HB3 LYS 42 3HB LYS 42 2.343 5.359 -17.042 333 HG2 LYS 42 2HG LYS 42 1.170 3.244 -16.950 334 HG3 LYS 42 3HG LYS 42 0.605 3.575 -15.317 335 HD2 LYS 42 2HD LYS 42 -1.210 3.923 -16.898 336 HD3 LYS 42 3HD LYS 42 -0.760 5.463 -16.174 337 HE2 LYS 42 2HE LYS 42 0.299 4.604 -18.884 338 HE3 LYS 42 3HE LYS 42 -1.251 5.419 -18.708 339 HZ1 LYS 42 1HZ LYS 42 0.446 7.008 -19.224 340 HZ2 LYS 42 2HZ LYS 42 1.400 6.512 -17.927 341 HZ3 LYS 42 3HZ LYS 42 -0.079 7.277 -17.643 342 H ARG 43 H ARG 43 4.043 6.482 -14.102 343 HA ARG 43 HA ARG 43 6.241 7.217 -15.867 344 HB2 ARG 43 2HB ARG 43 5.349 8.461 -13.229 345 HB3 ARG 43 3HB ARG 43 6.492 9.170 -14.372 346 HG2 ARG 43 2HG ARG 43 4.691 9.335 -16.061 347 HG3 ARG 43 3HG ARG 43 3.551 8.630 -14.913 348 HD2 ARG 43 2HD ARG 43 4.071 10.595 -13.375 349 HD3 ARG 43 3HD ARG 43 4.945 11.320 -14.732 350 HE ARG 43 HE ARG 43 2.255 10.517 -15.379 351 HH11 ARG 43 1HH1 ARG 43 4.126 13.177 -14.002 352 HH12 ARG 43 2HH1 ARG 43 2.917 14.361 -14.380 353 HH21 ARG 43 1HH2 ARG 43 0.715 12.056 -15.860 354 HH22 ARG 43 2HH2 ARG 43 0.967 13.718 -15.442 355 H ARG 44 H ARG 44 5.896 5.061 -13.338 356 HA ARG 44 HA ARG 44 7.184 3.911 -11.902 357 HB2 ARG 44 2HB ARG 44 9.447 4.762 -13.753 358 HB3 ARG 44 3HB ARG 44 9.617 3.568 -12.477 359 HG2 ARG 44 2HG ARG 44 9.376 2.269 -14.408 360 HG3 ARG 44 3HG ARG 44 7.764 2.244 -13.698 361 HD2 ARG 44 2HD ARG 44 7.695 2.543 -16.145 362 HD3 ARG 44 3HD ARG 44 7.008 3.937 -15.299 363 HE ARG 44 HE ARG 44 9.718 4.457 -15.735 364 HH11 ARG 44 1HH1 ARG 44 6.832 4.067 -17.716 365 HH12 ARG 44 2HH1 ARG 44 7.431 5.098 -18.973 366 HH21 ARG 44 1HH2 ARG 44 10.457 5.806 -17.372 367 HH22 ARG 44 2HH2 ARG 44 9.484 6.083 -18.781 368 H ASN 45 H ASN 45 6.719 6.791 -11.411 369 HA ASN 45 HA ASN 45 9.132 7.807 -10.128 370 HB2 ASN 45 2HB ASN 45 6.576 9.008 -11.121 371 HB3 ASN 45 3HB ASN 45 7.262 9.780 -9.700 372 HD21 ASN 45 1HD2 ASN 45 7.893 8.930 -13.059 373 HD22 ASN 45 2HD2 ASN 45 9.119 10.115 -13.312 374 H ILE 46 H ILE 46 7.052 5.637 -9.047 375 HA ILE 46 HA ILE 46 7.192 6.619 -6.246 376 HB ILE 46 HB ILE 46 5.502 4.306 -7.317 377 HG12 ILE 46 2HG1 ILE 46 4.644 7.104 -6.436 378 HG13 ILE 46 3HG1 ILE 46 4.572 6.466 -8.076 379 HG21 ILE 46 1HG2 ILE 46 5.624 5.536 -4.533 380 HG22 ILE 46 2HG2 ILE 46 6.234 3.945 -4.995 381 HG23 ILE 46 3HG2 ILE 46 4.504 4.270 -5.047 382 HD11 ILE 46 1HD1 ILE 46 2.876 4.834 -7.352 383 HD12 ILE 46 2HD1 ILE 46 2.377 6.496 -7.048 384 HD13 ILE 46 3HD1 ILE 46 2.946 5.495 -5.714 385 H ASP 47 H ASP 47 8.761 5.734 -5.037 386 HA ASP 47 HA ASP 47 10.491 3.653 -6.124 387 HB2 ASP 47 2HB ASP 47 11.543 5.578 -5.084 388 HB3 ASP 47 3HB ASP 47 10.612 5.360 -3.608 389 H MET 48 H MET 48 8.253 4.084 -3.462 390 HA MET 48 HA MET 48 7.895 1.226 -3.126 391 HB2 MET 48 2HB MET 48 8.259 1.399 -0.612 392 HB3 MET 48 3HB MET 48 9.711 1.480 -1.591 393 HG2 MET 48 2HG MET 48 9.586 4.005 -1.365 394 HG3 MET 48 3HG MET 48 8.339 3.743 -0.144 395 HE1 MET 48 1HE MET 48 8.815 2.352 2.141 396 HE2 MET 48 2HE MET 48 10.404 1.727 2.581 397 HE3 MET 48 3HE MET 48 9.508 0.998 1.248 398 H ILE 49 H ILE 49 5.839 0.766 -2.388 399 HA ILE 49 HA ILE 49 4.007 3.029 -1.938 400 HB ILE 49 HB ILE 49 4.010 2.663 -4.359 401 HG12 ILE 49 2HG1 ILE 49 1.463 1.564 -3.089 402 HG13 ILE 49 3HG1 ILE 49 1.839 3.263 -3.368 403 HG21 ILE 49 1HG2 ILE 49 3.367 0.533 -5.403 404 HG22 ILE 49 2HG2 ILE 49 3.298 -0.230 -3.812 405 HG23 ILE 49 3HG2 ILE 49 4.836 0.367 -4.440 406 HD11 ILE 49 1HD1 ILE 49 0.273 2.430 -4.999 407 HD12 ILE 49 2HD1 ILE 49 1.398 1.165 -5.487 408 HD13 ILE 49 3HD1 ILE 49 1.791 2.863 -5.782 409 H ILE 50 H ILE 50 2.100 2.499 -0.891 410 HA ILE 50 HA ILE 50 1.731 -0.240 0.166 411 HB ILE 50 HB ILE 50 1.432 2.325 1.808 412 HG12 ILE 50 2HG1 ILE 50 3.601 0.194 2.104 413 HG13 ILE 50 3HG1 ILE 50 3.842 1.749 1.315 414 HG21 ILE 50 1HG2 ILE 50 1.106 0.793 3.738 415 HG22 ILE 50 2HG2 ILE 50 1.186 -0.589 2.642 416 HG23 ILE 50 3HG2 ILE 50 -0.134 0.573 2.500 417 HD11 ILE 50 1HD1 ILE 50 3.340 2.878 3.441 418 HD12 ILE 50 2HD1 ILE 50 4.724 1.793 3.544 419 HD13 ILE 50 3HD1 ILE 50 3.172 1.301 4.218 420 H VAL 51 H VAL 51 -0.285 -0.874 -0.471 421 HA VAL 51 HA VAL 51 -2.430 1.142 -0.851 422 HB VAL 51 HB VAL 51 -2.119 -1.544 -2.273 423 HG11 VAL 51 1HG1 VAL 51 -4.007 -0.783 -3.717 424 HG12 VAL 51 2HG1 VAL 51 -4.194 0.647 -2.697 425 HG13 VAL 51 3HG1 VAL 51 -4.498 -0.957 -2.026 426 HG21 VAL 51 1HG2 VAL 51 -0.441 0.047 -3.065 427 HG22 VAL 51 2HG2 VAL 51 -1.686 1.273 -3.323 428 HG23 VAL 51 3HG2 VAL 51 -1.677 -0.193 -4.303 429 H LYS 52 H LYS 52 -3.798 1.044 0.797 430 HA LYS 52 HA LYS 52 -4.603 -1.542 1.961 431 HB2 LYS 52 2HB LYS 52 -3.827 -0.189 3.732 432 HB3 LYS 52 3HB LYS 52 -4.529 1.275 3.060 433 HG2 LYS 52 2HG LYS 52 -5.681 0.537 5.104 434 HG3 LYS 52 3HG LYS 52 -6.755 0.597 3.707 435 HD2 LYS 52 2HD LYS 52 -6.571 -1.893 3.499 436 HD3 LYS 52 3HD LYS 52 -5.549 -1.923 4.945 437 HE2 LYS 52 2HE LYS 52 -7.366 -1.142 6.327 438 HE3 LYS 52 3HE LYS 52 -8.362 -0.767 4.923 439 HZ1 LYS 52 1HZ LYS 52 -8.963 -2.833 6.108 440 HZ2 LYS 52 2HZ LYS 52 -7.494 -3.500 5.595 441 HZ3 LYS 52 3HZ LYS 52 -8.638 -3.027 4.470 442 H THR 53 H THR 53 -6.315 -2.308 0.949 443 HA THR 53 HA THR 53 -8.869 -1.153 1.217 444 HB THR 53 HB THR 53 -8.224 0.238 -0.733 445 HG1 THR 53 HG1 THR 53 -10.401 -0.409 -0.599 446 HG21 THR 53 1HG2 THR 53 -7.794 -0.746 -2.945 447 HG22 THR 53 2HG2 THR 53 -7.872 -2.368 -2.254 448 HG23 THR 53 3HG2 THR 53 -6.571 -1.272 -1.783 449 H GLU 54 H GLU 54 -10.553 -2.643 0.391 450 HA GLU 54 HA GLU 54 -9.648 -5.440 0.114 451 HB2 GLU 54 2HB GLU 54 -12.381 -4.231 0.707 452 HB3 GLU 54 3HB GLU 54 -12.150 -5.942 0.382 453 HG2 GLU 54 2HG GLU 54 -12.321 -5.619 2.761 454 HG3 GLU 54 3HG GLU 54 -10.676 -6.117 2.369 455 H ASP 55 H ASP 55 -10.482 -2.832 -1.796 456 HA ASP 55 HA ASP 55 -12.036 -4.056 -3.849 457 HB2 ASP 55 2HB ASP 55 -12.059 -1.627 -3.438 458 HB3 ASP 55 3HB ASP 55 -10.350 -1.519 -3.843 459 H LYS 56 H LYS 56 -11.123 -5.864 -4.602 460 HA LYS 56 HA LYS 56 -8.465 -6.528 -5.040 461 HB2 LYS 56 2HB LYS 56 -10.911 -7.569 -6.530 462 HB3 LYS 56 3HB LYS 56 -9.348 -8.383 -6.423 463 HG2 LYS 56 2HG LYS 56 -9.637 -8.694 -4.014 464 HG3 LYS 56 3HG LYS 56 -11.157 -7.788 -4.053 465 HD2 LYS 56 2HD LYS 56 -12.133 -9.523 -5.544 466 HD3 LYS 56 3HD LYS 56 -10.617 -10.429 -5.480 467 HE2 LYS 56 2HE LYS 56 -10.918 -10.733 -3.048 468 HE3 LYS 56 3HE LYS 56 -12.430 -9.826 -3.118 469 HZ1 LYS 56 1HZ LYS 56 -12.760 -12.236 -3.113 470 HZ2 LYS 56 2HZ LYS 56 -11.904 -12.361 -4.567 471 HZ3 LYS 56 3HZ LYS 56 -13.367 -11.518 -4.518 472 H GLU 57 H GLU 57 -10.701 -4.798 -7.134 473 HA GLU 57 HA GLU 57 -9.445 -4.990 -9.620 474 HB2 GLU 57 2HB GLU 57 -11.050 -2.655 -8.484 475 HB3 GLU 57 3HB GLU 57 -10.760 -2.965 -10.197 476 HG2 GLU 57 2HG GLU 57 -12.078 -5.028 -10.071 477 HG3 GLU 57 3HG GLU 57 -12.309 -4.803 -8.335 478 H SER 58 H SER 58 -9.037 -2.523 -7.059 479 HA SER 58 HA SER 58 -7.039 -1.011 -8.439 480 HB2 SER 58 2HB SER 58 -6.717 0.154 -6.249 481 HB3 SER 58 3HB SER 58 -8.406 0.080 -6.740 482 HG SER 58 HG SER 58 -8.749 -1.558 -5.274 483 H ILE 59 H ILE 59 -6.941 -3.369 -5.765 484 HA ILE 59 HA ILE 59 -4.244 -3.388 -5.156 485 HB ILE 59 HB ILE 59 -6.204 -5.728 -5.164 486 HG12 ILE 59 2HG1 ILE 59 -5.325 -3.906 -2.869 487 HG13 ILE 59 3HG1 ILE 59 -6.849 -3.764 -3.740 488 HG21 ILE 59 1HG2 ILE 59 -3.510 -5.556 -3.764 489 HG22 ILE 59 2HG2 ILE 59 -3.916 -6.614 -5.116 490 HG23 ILE 59 3HG2 ILE 59 -4.694 -6.850 -3.553 491 HD11 ILE 59 1HD1 ILE 59 -7.482 -6.009 -2.932 492 HD12 ILE 59 2HD1 ILE 59 -7.208 -4.848 -1.638 493 HD13 ILE 59 3HD1 ILE 59 -5.987 -6.067 -1.994 494 H SER 60 H SER 60 -5.891 -5.493 -7.523 495 HA SER 60 HA SER 60 -3.733 -6.919 -8.519 496 HB2 SER 60 2HB SER 60 -6.077 -7.534 -8.979 497 HB3 SER 60 3HB SER 60 -6.283 -6.093 -9.963 498 HG SER 60 HG SER 60 -4.689 -8.360 -10.503 499 H GLU 61 H GLU 61 -5.224 -3.965 -9.950 500 HA GLU 61 HA GLU 61 -3.464 -3.871 -12.157 501 HB2 GLU 61 2HB GLU 61 -5.304 -1.758 -11.002 502 HB3 GLU 61 3HB GLU 61 -4.379 -1.517 -12.485 503 HG2 GLU 61 2HG GLU 61 -6.561 -3.565 -11.991 504 HG3 GLU 61 3HG GLU 61 -6.630 -2.172 -13.065 505 H ILE 62 H ILE 62 -3.391 -2.079 -9.060 506 HA ILE 62 HA ILE 62 -1.198 -0.432 -9.629 507 HB ILE 62 HB ILE 62 -2.413 -1.397 -7.047 508 HG12 ILE 62 2HG1 ILE 62 -2.378 1.145 -6.570 509 HG13 ILE 62 3HG1 ILE 62 -1.812 1.365 -8.217 510 HG21 ILE 62 1HG2 ILE 62 -0.640 -0.178 -5.719 511 HG22 ILE 62 2HG2 ILE 62 0.340 -0.139 -7.178 512 HG23 ILE 62 3HG2 ILE 62 -0.106 -1.685 -6.456 513 HD11 ILE 62 1HD1 ILE 62 -3.897 0.350 -9.029 514 HD12 ILE 62 2HD1 ILE 62 -4.151 1.805 -8.063 515 HD13 ILE 62 3HD1 ILE 62 -4.448 0.215 -7.355 516 H ILE 63 H ILE 63 -1.243 -3.753 -8.213 517 HA ILE 63 HA ILE 63 1.537 -4.034 -7.776 518 HB ILE 63 HB ILE 63 -0.493 -6.207 -8.461 519 HG12 ILE 63 2HG1 ILE 63 0.600 -5.444 -5.717 520 HG13 ILE 63 3HG1 ILE 63 -0.919 -4.827 -6.360 521 HG21 ILE 63 1HG2 ILE 63 2.301 -6.512 -7.278 522 HG22 ILE 63 2HG2 ILE 63 1.782 -7.043 -8.879 523 HG23 ILE 63 3HG2 ILE 63 1.116 -7.813 -7.441 524 HD11 ILE 63 1HD1 ILE 63 -1.284 -6.678 -4.850 525 HD12 ILE 63 2HD1 ILE 63 -0.280 -7.728 -5.849 526 HD13 ILE 63 3HD1 ILE 63 -1.802 -7.094 -6.482 527 H LYS 64 H LYS 64 -0.452 -4.753 -10.636 528 HA LYS 64 HA LYS 64 1.521 -5.961 -12.251 529 HB2 LYS 64 2HB LYS 64 -1.075 -4.508 -12.929 530 HB3 LYS 64 3HB LYS 64 -0.121 -5.391 -14.123 531 HG2 LYS 64 2HG LYS 64 -0.515 -7.492 -13.061 532 HG3 LYS 64 3HG LYS 64 -1.099 -6.737 -11.584 533 HD2 LYS 64 2HD LYS 64 -2.951 -7.747 -12.769 534 HD3 LYS 64 3HD LYS 64 -3.142 -5.996 -12.768 535 HE2 LYS 64 2HE LYS 64 -1.856 -7.327 -15.151 536 HE3 LYS 64 3HE LYS 64 -3.605 -7.414 -14.958 537 HZ1 LYS 64 1HZ LYS 64 -3.709 -5.028 -14.919 538 HZ2 LYS 64 2HZ LYS 64 -2.923 -5.544 -16.321 539 HZ3 LYS 64 3HZ LYS 64 -2.032 -4.912 -15.039 540 H GLN 65 H GLN 65 0.659 -2.596 -11.676 541 HA GLN 65 HA GLN 65 2.449 -1.479 -13.649 542 HB2 GLN 65 2HB GLN 65 1.123 -0.181 -11.235 543 HB3 GLN 65 3HB GLN 65 1.956 0.682 -12.526 544 HG2 GLN 65 2HG GLN 65 -0.575 -0.958 -12.821 545 HG3 GLN 65 3HG GLN 65 -0.482 0.796 -12.778 546 HE21 GLN 65 1HE2 GLN 65 0.318 1.892 -14.581 547 HE22 GLN 65 2HE2 GLN 65 0.483 1.126 -16.120 548 H VAL 66 H VAL 66 2.713 -2.402 -10.249 549 HA VAL 66 HA VAL 66 5.214 -1.082 -9.743 550 HB VAL 66 HB VAL 66 3.892 -3.351 -8.184 551 HG11 VAL 66 1HG1 VAL 66 6.187 -1.519 -7.382 552 HG12 VAL 66 2HG1 VAL 66 6.304 -3.248 -7.709 553 HG13 VAL 66 3HG1 VAL 66 5.390 -2.678 -6.320 554 HG21 VAL 66 1HG2 VAL 66 3.870 -0.351 -7.659 555 HG22 VAL 66 2HG2 VAL 66 3.162 -1.583 -6.610 556 HG23 VAL 66 3HG2 VAL 66 2.503 -1.312 -8.221 557 H LEU 67 H LEU 67 4.264 -4.242 -10.966 558 HA LEU 67 HA LEU 67 6.735 -5.598 -10.819 559 HB2 LEU 67 2HB LEU 67 4.520 -5.876 -12.891 560 HB3 LEU 67 3HB LEU 67 5.841 -7.016 -12.678 561 HG LEU 67 HG LEU 67 3.654 -6.444 -10.641 562 HD11 LEU 67 1HD1 LEU 67 4.065 -8.867 -12.405 563 HD12 LEU 67 2HD1 LEU 67 2.791 -7.654 -12.566 564 HD13 LEU 67 3HD1 LEU 67 2.839 -8.693 -11.145 565 HD21 LEU 67 1HD2 LEU 67 5.742 -7.040 -9.509 566 HD22 LEU 67 2HD2 LEU 67 5.901 -8.483 -10.515 567 HD23 LEU 67 3HD2 LEU 67 4.564 -8.344 -9.368 568 H ASP 68 H ASP 68 5.309 -3.449 -13.241 569 HA ASP 68 HA ASP 68 7.376 -3.513 -15.178 570 HB2 ASP 68 2HB ASP 68 5.187 -2.706 -15.830 571 HB3 ASP 68 3HB ASP 68 5.189 -1.483 -14.565 572 H SER 69 H SER 69 6.833 -1.485 -12.296 573 HA SER 69 HA SER 69 8.922 0.396 -12.991 574 HB2 SER 69 2HB SER 69 8.283 1.504 -10.850 575 HB3 SER 69 3HB SER 69 6.899 1.222 -11.903 576 HG SER 69 HG SER 69 6.075 0.267 -10.251 577 H GLY 70 H GLY 70 8.681 -2.516 -11.126 578 HA2 GLY 70 2HA GLY 70 10.214 -3.745 -9.944 579 HA3 GLY 70 3HA GLY 70 11.465 -2.646 -10.508 580 H ALA 71 H ALA 71 8.662 -1.480 -8.795 581 HA ALA 71 HA ALA 71 10.309 -0.337 -6.683 582 HB1 ALA 71 1HB ALA 71 8.241 0.846 -6.043 583 HB2 ALA 71 2HB ALA 71 7.328 -0.098 -7.225 584 HB3 ALA 71 3HB ALA 71 8.572 1.029 -7.767 585 H LYS 72 H LYS 72 9.385 -0.415 -4.369 586 HA LYS 72 HA LYS 72 8.706 -3.150 -3.558 587 HB2 LYS 72 2HB LYS 72 9.186 -0.610 -1.934 588 HB3 LYS 72 3HB LYS 72 8.650 -2.112 -1.202 589 HG2 LYS 72 2HG LYS 72 10.988 -1.984 -0.829 590 HG3 LYS 72 3HG LYS 72 10.746 -3.201 -2.078 591 HD2 LYS 72 2HD LYS 72 12.645 -1.882 -2.739 592 HD3 LYS 72 3HD LYS 72 11.311 -1.437 -3.805 593 HE2 LYS 72 2HE LYS 72 10.901 0.568 -2.336 594 HE3 LYS 72 3HE LYS 72 12.349 0.138 -1.425 595 HZ1 LYS 72 1HZ LYS 72 12.870 1.796 -3.045 596 HZ2 LYS 72 2HZ LYS 72 12.215 0.870 -4.296 597 HZ3 LYS 72 3HZ LYS 72 13.615 0.348 -3.503 598 H VAL 73 H VAL 73 6.657 -3.767 -2.846 599 HA VAL 73 HA VAL 73 4.525 -1.734 -2.680 600 HB VAL 73 HB VAL 73 4.308 -2.589 -4.933 601 HG11 VAL 73 1HG1 VAL 73 4.206 -5.403 -3.795 602 HG12 VAL 73 2HG1 VAL 73 5.511 -4.710 -4.761 603 HG13 VAL 73 3HG1 VAL 73 3.921 -4.967 -5.482 604 HG21 VAL 73 1HG2 VAL 73 2.128 -3.815 -3.197 605 HG22 VAL 73 2HG2 VAL 73 1.995 -3.447 -4.919 606 HG23 VAL 73 3HG2 VAL 73 2.198 -2.140 -3.753 607 H LEU 74 H LEU 74 3.235 -1.990 -0.996 608 HA LEU 74 HA LEU 74 3.203 -4.528 0.511 609 HB2 LEU 74 2HB LEU 74 4.371 -2.843 1.801 610 HB3 LEU 74 3HB LEU 74 3.112 -1.657 1.496 611 HG LEU 74 HG LEU 74 1.520 -2.965 2.884 612 HD11 LEU 74 1HD1 LEU 74 2.383 -5.210 2.523 613 HD12 LEU 74 2HD1 LEU 74 2.283 -4.856 4.245 614 HD13 LEU 74 3HD1 LEU 74 3.850 -4.823 3.430 615 HD21 LEU 74 1HD2 LEU 74 4.105 -2.322 4.330 616 HD22 LEU 74 2HD2 LEU 74 2.509 -2.485 5.069 617 HD23 LEU 74 3HD2 LEU 74 2.820 -1.178 3.929 618 H ILE 75 H ILE 75 1.291 -5.469 0.185 619 HA ILE 75 HA ILE 75 -1.134 -3.896 -0.306 620 HB ILE 75 HB ILE 75 -0.586 -6.873 -0.628 621 HG12 ILE 75 2HG1 ILE 75 0.571 -5.534 -2.324 622 HG13 ILE 75 3HG1 ILE 75 -0.765 -6.395 -3.076 623 HG21 ILE 75 1HG2 ILE 75 -2.801 -7.017 -1.749 624 HG22 ILE 75 2HG2 ILE 75 -3.120 -5.337 -1.306 625 HG23 ILE 75 3HG2 ILE 75 -2.944 -6.561 -0.048 626 HD11 ILE 75 1HD1 ILE 75 -0.551 -4.136 -3.926 627 HD12 ILE 75 2HD1 ILE 75 -0.748 -3.472 -2.306 628 HD13 ILE 75 3HD1 ILE 75 -2.087 -4.330 -3.080 629 H LEU 76 H LEU 76 -2.557 -3.618 1.221 630 HA LEU 76 HA LEU 76 -2.633 -5.302 3.647 631 HB2 LEU 76 2HB LEU 76 -3.113 -2.291 3.435 632 HB3 LEU 76 3HB LEU 76 -3.249 -3.249 4.903 633 HG LEU 76 HG LEU 76 -0.671 -2.711 3.366 634 HD11 LEU 76 1HD1 LEU 76 -1.581 -1.633 6.048 635 HD12 LEU 76 2HD1 LEU 76 -1.481 -0.721 4.540 636 HD13 LEU 76 3HD1 LEU 76 -0.013 -1.349 5.284 637 HD21 LEU 76 1HD2 LEU 76 -0.608 -4.915 4.413 638 HD22 LEU 76 2HD2 LEU 76 -1.098 -4.223 5.963 639 HD23 LEU 76 3HD2 LEU 76 0.466 -3.801 5.257 640 H SER 77 H SER 77 -4.570 -6.317 3.784 641 HA SER 77 HA SER 77 -7.027 -4.856 3.136 642 HB2 SER 77 2HB SER 77 -7.968 -6.722 1.789 643 HB3 SER 77 3HB SER 77 -6.534 -6.052 1.019 644 HG SER 77 HG SER 77 -6.870 -8.518 2.315 645 H SER 78 H SER 78 -8.866 -5.721 4.145 646 HA SER 78 HA SER 78 -8.461 -6.800 6.732 647 HB2 SER 78 2HB SER 78 -10.296 -5.212 6.174 648 HB3 SER 78 3HB SER 78 -11.063 -6.441 5.170 649 HG SER 78 HG SER 78 -10.984 -7.721 7.267 650 H ASP 79 H ASP 79 -9.333 -8.149 3.649 651 HA ASP 79 HA ASP 79 -10.190 -10.705 4.749 652 HB2 ASP 79 2HB ASP 79 -11.494 -9.582 2.948 653 HB3 ASP 79 3HB ASP 79 -10.103 -9.716 1.877 654 H GLU 80 H GLU 80 -8.909 -12.357 4.952 655 HA GLU 80 HA GLU 80 -6.121 -12.258 4.400 656 HB2 GLU 80 2HB GLU 80 -7.716 -14.681 5.350 657 HB3 GLU 80 3HB GLU 80 -5.982 -14.434 5.494 658 HG2 GLU 80 2HG GLU 80 -6.893 -14.093 7.653 659 HG3 GLU 80 3HG GLU 80 -6.457 -12.504 7.024 660 H ASN 81 H ASN 81 -8.857 -13.539 2.679 661 HA ASN 81 HA ASN 81 -7.440 -15.541 1.160 662 HB2 ASN 81 2HB ASN 81 -10.124 -14.279 0.435 663 HB3 ASN 81 3HB ASN 81 -9.483 -15.829 -0.112 664 HD21 ASN 81 1HD2 ASN 81 -10.966 -14.101 2.530 665 HD22 ASN 81 2HD2 ASN 81 -11.370 -15.485 3.476 666 H ILE 82 H ILE 82 -8.350 -12.132 0.767 667 HA ILE 82 HA ILE 82 -7.426 -11.744 -1.895 668 HB ILE 82 HB ILE 82 -7.545 -9.733 0.401 669 HG12 ILE 82 2HG1 ILE 82 -9.495 -10.158 -1.910 670 HG13 ILE 82 3HG1 ILE 82 -9.767 -10.666 -0.246 671 HG21 ILE 82 1HG2 ILE 82 -5.949 -8.957 -1.311 672 HG22 ILE 82 2HG2 ILE 82 -7.396 -7.952 -1.324 673 HG23 ILE 82 3HG2 ILE 82 -7.165 -9.179 -2.571 674 HD11 ILE 82 1HD1 ILE 82 -9.507 -7.819 -1.225 675 HD12 ILE 82 2HD1 ILE 82 -9.728 -8.307 0.458 676 HD13 ILE 82 3HD1 ILE 82 -10.985 -8.643 -0.729 677 H ILE 83 H ILE 83 -5.871 -11.128 1.292 678 HA ILE 83 HA ILE 83 -3.327 -10.367 0.467 679 HB ILE 83 HB ILE 83 -4.184 -11.928 2.942 680 HG12 ILE 83 2HG1 ILE 83 -5.065 -9.608 2.779 681 HG13 ILE 83 3HG1 ILE 83 -3.939 -9.765 4.120 682 HG21 ILE 83 1HG2 ILE 83 -2.000 -11.370 3.983 683 HG22 ILE 83 2HG2 ILE 83 -1.437 -10.724 2.441 684 HG23 ILE 83 3HG2 ILE 83 -1.816 -12.440 2.593 685 HD11 ILE 83 1HD1 ILE 83 -3.629 -7.669 2.945 686 HD12 ILE 83 2HD1 ILE 83 -3.326 -8.525 1.433 687 HD13 ILE 83 3HD1 ILE 83 -2.192 -8.679 2.780 688 H GLU 84 H GLU 84 -4.442 -13.680 1.186 689 HA GLU 84 HA GLU 84 -2.015 -15.006 0.657 690 HB2 GLU 84 2HB GLU 84 -3.782 -15.962 2.051 691 HB3 GLU 84 3HB GLU 84 -4.855 -16.088 0.658 692 HG2 GLU 84 2HG GLU 84 -3.257 -17.711 -0.369 693 HG3 GLU 84 3HG GLU 84 -2.260 -17.611 1.082 694 H SER 85 H SER 85 -4.820 -14.329 -1.473 695 HA SER 85 HA SER 85 -3.995 -15.760 -3.746 696 HB2 SER 85 2HB SER 85 -5.578 -13.164 -3.567 697 HB3 SER 85 3HB SER 85 -5.387 -14.106 -5.049 698 HG SER 85 HG SER 85 -7.129 -14.461 -3.069 699 H ILE 86 H ILE 86 -3.182 -12.503 -2.635 700 HA ILE 86 HA ILE 86 -1.693 -11.727 -4.940 701 HB ILE 86 HB ILE 86 -1.763 -10.589 -2.114 702 HG12 ILE 86 2HG1 ILE 86 -3.948 -10.433 -3.200 703 HG13 ILE 86 3HG1 ILE 86 -3.241 -8.826 -3.134 704 HG21 ILE 86 1HG2 ILE 86 -0.813 -8.501 -3.084 705 HG22 ILE 86 2HG2 ILE 86 -0.533 -9.365 -4.600 706 HG23 ILE 86 3HG2 ILE 86 0.303 -9.862 -3.132 707 HD11 ILE 86 1HD1 ILE 86 -3.402 -10.626 -5.552 708 HD12 ILE 86 2HD1 ILE 86 -2.611 -9.048 -5.513 709 HD13 ILE 86 3HD1 ILE 86 -4.346 -9.171 -5.234 710 H ARG 87 H ARG 87 -0.856 -13.373 -1.921 711 HA ARG 87 HA ARG 87 1.985 -13.192 -2.142 712 HB2 ARG 87 2HB ARG 87 0.318 -15.293 -0.698 713 HB3 ARG 87 3HB ARG 87 2.030 -14.961 -0.417 714 HG2 ARG 87 2HG ARG 87 1.488 -12.738 0.420 715 HG3 ARG 87 3HG ARG 87 -0.214 -12.988 0.055 716 HD2 ARG 87 2HD ARG 87 0.090 -13.323 2.412 717 HD3 ARG 87 3HD ARG 87 -0.224 -14.896 1.676 718 HE ARG 87 HE ARG 87 1.969 -15.534 2.079 719 HH11 ARG 87 1HH1 ARG 87 1.460 -12.226 3.128 720 HH12 ARG 87 2HH1 ARG 87 2.914 -12.165 4.059 721 HH21 ARG 87 1HH2 ARG 87 3.909 -15.436 3.262 722 HH22 ARG 87 2HH2 ARG 87 4.313 -13.998 4.135 723 H LYS 88 H LYS 88 -0.356 -15.725 -3.111 724 HA LYS 88 HA LYS 88 1.675 -17.568 -3.972 725 HB2 LYS 88 2HB LYS 88 -0.173 -18.996 -4.734 726 HB3 LYS 88 3HB LYS 88 -0.452 -18.408 -3.099 727 HG2 LYS 88 2HG LYS 88 -2.032 -16.716 -3.988 728 HG3 LYS 88 3HG LYS 88 -1.772 -17.336 -5.622 729 HD2 LYS 88 2HD LYS 88 -2.937 -18.920 -3.290 730 HD3 LYS 88 3HD LYS 88 -3.872 -18.188 -4.597 731 HE2 LYS 88 2HE LYS 88 -1.802 -20.400 -4.923 732 HE3 LYS 88 3HE LYS 88 -3.554 -20.603 -4.973 733 HZ1 LYS 88 1HZ LYS 88 -1.986 -18.944 -6.878 734 HZ2 LYS 88 2HZ LYS 88 -3.649 -19.240 -6.942 735 HZ3 LYS 88 3HZ LYS 88 -2.554 -20.506 -7.188 736 H GLN 89 H GLN 89 -0.313 -15.138 -5.594 737 HA GLN 89 HA GLN 89 0.507 -15.835 -8.260 738 HB2 GLN 89 2HB GLN 89 -0.764 -13.303 -7.138 739 HB3 GLN 89 3HB GLN 89 -0.460 -13.564 -8.856 740 HG2 GLN 89 2HG GLN 89 -1.983 -15.497 -8.834 741 HG3 GLN 89 3HG GLN 89 -2.276 -15.258 -7.112 742 HE21 GLN 89 1HE2 GLN 89 -3.530 -13.459 -6.456 743 HE22 GLN 89 2HE2 GLN 89 -4.550 -12.610 -7.555 744 H TYR 90 H TYR 90 1.604 -13.528 -5.796 745 HA TYR 90 HA TYR 90 3.946 -12.791 -7.475 746 HB2 TYR 90 2HB TYR 90 2.546 -10.904 -5.533 747 HB3 TYR 90 3HB TYR 90 3.803 -10.501 -6.695 748 HD1 TYR 90 HD1 TYR 90 3.201 -10.693 -9.219 749 HD2 TYR 90 HD2 TYR 90 0.241 -10.664 -6.133 750 HE1 TYR 90 HE1 TYR 90 1.490 -10.077 -10.859 751 HE2 TYR 90 HE2 TYR 90 -1.474 -10.044 -7.784 752 HH TYR 90 HH TYR 90 -0.804 -10.056 -11.209 753 HA PRO 91 HA PRO 91 5.727 -14.497 -3.566 754 HB2 PRO 91 2HB PRO 91 8.255 -14.953 -4.567 755 HB3 PRO 91 3HB PRO 91 6.896 -16.064 -4.833 756 HG2 PRO 91 2HG PRO 91 7.983 -13.945 -6.676 757 HG3 PRO 91 3HG PRO 91 7.519 -15.624 -7.039 758 HD2 PRO 91 2HD PRO 91 5.857 -13.555 -7.586 759 HD3 PRO 91 3HD PRO 91 5.234 -15.140 -7.070 760 H LYS 92 H LYS 92 6.939 -11.843 -5.576 761 HA LYS 92 HA LYS 92 8.872 -10.938 -3.591 762 HB2 LYS 92 2HB LYS 92 8.178 -10.079 -6.401 763 HB3 LYS 92 3HB LYS 92 9.166 -9.034 -5.392 764 HG2 LYS 92 2HG LYS 92 9.850 -11.913 -6.086 765 HG3 LYS 92 3HG LYS 92 10.494 -10.488 -6.912 766 HD2 LYS 92 2HD LYS 92 10.896 -11.167 -3.958 767 HD3 LYS 92 3HD LYS 92 12.096 -11.367 -5.239 768 HE2 LYS 92 2HE LYS 92 12.106 -8.927 -5.617 769 HE3 LYS 92 3HE LYS 92 10.892 -8.719 -4.353 770 HZ1 LYS 92 1HZ LYS 92 13.124 -8.253 -3.573 771 HZ2 LYS 92 2HZ LYS 92 13.612 -9.825 -3.946 772 HZ3 LYS 92 3HZ LYS 92 12.449 -9.564 -2.745 773 H VAL 93 H VAL 93 5.559 -10.394 -3.942 774 HA VAL 93 HA VAL 93 5.495 -7.593 -3.244 775 HB VAL 93 HB VAL 93 3.618 -8.747 -4.463 776 HG11 VAL 93 1HG1 VAL 93 2.928 -10.029 -1.795 777 HG12 VAL 93 2HG1 VAL 93 3.613 -10.871 -3.181 778 HG13 VAL 93 3HG1 VAL 93 2.011 -10.156 -3.299 779 HG21 VAL 93 1HG2 VAL 93 2.771 -7.427 -1.856 780 HG22 VAL 93 2HG2 VAL 93 1.752 -7.627 -3.284 781 HG23 VAL 93 3HG2 VAL 93 3.179 -6.598 -3.358 782 H GLU 94 H GLU 94 5.332 -6.678 -1.191 783 HA GLU 94 HA GLU 94 5.524 -8.376 1.179 784 HB2 GLU 94 2HB GLU 94 5.093 -5.355 1.175 785 HB3 GLU 94 3HB GLU 94 5.767 -6.360 2.458 786 HG2 GLU 94 2HG GLU 94 7.073 -5.575 -0.159 787 HG3 GLU 94 3HG GLU 94 7.517 -5.053 1.460 788 H THR 95 H THR 95 3.699 -9.022 2.279 789 HA THR 95 HA THR 95 1.154 -7.592 1.856 790 HB THR 95 HB THR 95 0.096 -10.010 1.887 791 HG1 THR 95 HG1 THR 95 2.671 -10.611 0.813 792 HG21 THR 95 1HG2 THR 95 -0.079 -8.526 -0.072 793 HG22 THR 95 2HG2 THR 95 0.198 -10.200 -0.563 794 HG23 THR 95 3HG2 THR 95 1.525 -9.036 -0.611 795 H ARG 96 H ARG 96 -0.140 -7.504 3.615 796 HA ARG 96 HA ARG 96 0.282 -9.170 5.940 797 HB2 ARG 96 2HB ARG 96 1.983 -7.358 6.223 798 HB3 ARG 96 3HB ARG 96 0.720 -6.148 6.117 799 HG2 ARG 96 2HG ARG 96 0.325 -8.200 8.232 800 HG3 ARG 96 3HG ARG 96 1.723 -7.174 8.459 801 HD2 ARG 96 2HD ARG 96 -0.119 -5.256 7.952 802 HD3 ARG 96 3HD ARG 96 -1.189 -6.507 8.587 803 HE ARG 96 HE ARG 96 1.123 -5.351 10.042 804 HH11 ARG 96 1HH1 ARG 96 -2.092 -6.771 10.163 805 HH12 ARG 96 2HH1 ARG 96 -2.250 -6.562 11.870 806 HH21 ARG 96 1HH2 ARG 96 0.870 -5.035 12.253 807 HH22 ARG 96 2HH2 ARG 96 -0.564 -5.573 13.054 808 H ARG 97 H ARG 97 -1.536 -9.315 7.120 809 HA ARG 97 HA ARG 97 -4.010 -8.420 5.922 810 HB2 ARG 97 2HB ARG 97 -3.827 -10.692 6.841 811 HB3 ARG 97 3HB ARG 97 -3.431 -10.042 8.428 812 HG2 ARG 97 2HG ARG 97 -5.864 -8.839 8.010 813 HG3 ARG 97 3HG ARG 97 -6.086 -10.319 7.076 814 HD2 ARG 97 2HD ARG 97 -6.903 -10.709 9.309 815 HD3 ARG 97 3HD ARG 97 -5.407 -11.630 9.111 816 HE ARG 97 HE ARG 97 -5.719 -9.115 10.663 817 HH11 ARG 97 1HH1 ARG 97 -3.809 -11.998 9.977 818 HH12 ARG 97 2HH1 ARG 97 -2.731 -11.737 11.307 819 HH21 ARG 97 1HH2 ARG 97 -4.281 -8.781 12.368 820 HH22 ARG 97 2HH2 ARG 97 -3.000 -9.909 12.665 821 H ALA 98 H ALA 98 -5.015 -6.564 6.483 822 HA ALA 98 HA ALA 98 -4.544 -5.350 9.107 823 HB1 ALA 98 1HB ALA 98 -4.148 -3.137 8.085 824 HB2 ALA 98 2HB ALA 98 -4.176 -3.870 6.476 825 HB3 ALA 98 3HB ALA 98 -2.898 -4.292 7.616 826 H GLN 99 H GLN 99 -6.534 -5.465 9.838 827 HA GLN 99 HA GLN 99 -8.863 -5.008 8.096 828 HB2 GLN 99 2HB GLN 99 -8.872 -5.923 11.005 829 HB3 GLN 99 3HB GLN 99 -10.206 -6.002 9.850 830 HG2 GLN 99 2HG GLN 99 -8.875 -7.631 8.503 831 HG3 GLN 99 3HG GLN 99 -7.628 -7.608 9.748 832 HE21 GLN 99 1HE2 GLN 99 -9.110 -9.857 8.795 833 HE22 GLN 99 2HE2 GLN 99 -9.949 -10.516 10.155 834 H ASP 100 H ASP 100 -7.592 -3.988 11.259 835 HA ASP 100 HA ASP 100 -9.251 -1.587 11.270 836 HB2 ASP 100 2HB ASP 100 -8.810 -3.138 13.323 837 HB3 ASP 100 3HB ASP 100 -7.209 -2.413 13.377 838 H LYS 101 H LYS 101 -8.305 0.484 11.531 839 HA LYS 101 HA LYS 101 -6.184 1.098 9.770 840 HB2 LYS 101 2HB LYS 101 -6.495 3.462 10.711 841 HB3 LYS 101 3HB LYS 101 -7.898 2.705 9.975 842 HG2 LYS 101 2HG LYS 101 -8.655 2.074 12.332 843 HG3 LYS 101 3HG LYS 101 -7.378 3.142 12.929 844 HD2 LYS 101 2HD LYS 101 -8.409 5.051 11.715 845 HD3 LYS 101 3HD LYS 101 -9.666 3.984 11.089 846 HE2 LYS 101 2HE LYS 101 -10.497 3.610 13.373 847 HE3 LYS 101 3HE LYS 101 -9.209 4.627 14.021 848 HZ1 LYS 101 1HZ LYS 101 -11.370 5.523 12.189 849 HZ2 LYS 101 2HZ LYS 101 -10.121 6.492 12.791 850 HZ3 LYS 101 3HZ LYS 101 -11.270 5.846 13.847 851 H GLU 102 H GLU 102 -6.181 0.362 13.170 852 HA GLU 102 HA GLU 102 -3.665 1.346 13.946 853 HB2 GLU 102 2HB GLU 102 -5.083 -1.202 14.832 854 HB3 GLU 102 3HB GLU 102 -3.699 -0.481 15.652 855 HG2 GLU 102 2HG GLU 102 -6.415 0.831 15.322 856 HG3 GLU 102 3HG GLU 102 -5.865 -0.015 16.766 857 H GLU 103 H GLU 103 -4.601 -1.802 12.606 858 HA GLU 103 HA GLU 103 -2.058 -2.994 12.435 859 HB2 GLU 103 2HB GLU 103 -4.527 -3.533 10.743 860 HB3 GLU 103 3HB GLU 103 -3.137 -4.609 10.909 861 HG2 GLU 103 2HG GLU 103 -3.631 -4.839 13.328 862 HG3 GLU 103 3HG GLU 103 -5.058 -3.813 13.120 863 H VAL 104 H VAL 104 -3.794 -0.888 10.236 864 HA VAL 104 HA VAL 104 -2.221 -1.280 7.914 865 HB VAL 104 HB VAL 104 -3.789 1.224 8.687 866 HG11 VAL 104 1HG1 VAL 104 -2.919 0.223 5.949 867 HG12 VAL 104 2HG1 VAL 104 -2.209 1.584 6.817 868 HG13 VAL 104 3HG1 VAL 104 -3.878 1.668 6.264 869 HG21 VAL 104 1HG2 VAL 104 -5.670 0.265 7.393 870 HG22 VAL 104 2HG2 VAL 104 -5.246 -0.767 8.760 871 HG23 VAL 104 3HG2 VAL 104 -4.742 -1.217 7.130 872 H LYS 105 H LYS 105 -2.176 1.374 10.364 873 HA LYS 105 HA LYS 105 0.101 2.674 9.251 874 HB2 LYS 105 2HB LYS 105 0.114 4.061 11.270 875 HB3 LYS 105 3HB LYS 105 -1.520 3.888 10.652 876 HG2 LYS 105 2HG LYS 105 -1.984 2.173 12.377 877 HG3 LYS 105 3HG LYS 105 -0.351 2.394 13.017 878 HD2 LYS 105 2HD LYS 105 -0.866 4.724 13.594 879 HD3 LYS 105 3HD LYS 105 -2.462 4.572 12.876 880 HE2 LYS 105 2HE LYS 105 -3.004 2.802 14.545 881 HE3 LYS 105 3HE LYS 105 -1.447 3.098 15.315 882 HZ1 LYS 105 1HZ LYS 105 -3.358 4.219 16.362 883 HZ2 LYS 105 2HZ LYS 105 -3.557 5.152 14.965 884 HZ3 LYS 105 3HZ LYS 105 -2.138 5.280 15.874 885 H ASP 106 H ASP 106 -0.220 0.257 11.862 886 HA ASP 106 HA ASP 106 2.389 0.017 12.718 887 HB2 ASP 106 2HB ASP 106 0.542 -1.256 13.706 888 HB3 ASP 106 3HB ASP 106 0.331 -2.176 12.224 889 H ALA 107 H ALA 107 0.858 -1.675 9.970 890 HA ALA 107 HA ALA 107 3.098 -3.125 9.096 891 HB1 ALA 107 1HB ALA 107 0.711 -2.171 7.488 892 HB2 ALA 107 2HB ALA 107 0.780 -3.643 8.457 893 HB3 ALA 107 3HB ALA 107 1.815 -3.477 7.039 894 H VAL 108 H VAL 108 1.888 0.072 8.246 895 HA VAL 108 HA VAL 108 3.615 0.726 6.115 896 HB VAL 108 HB VAL 108 2.170 2.466 8.169 897 HG11 VAL 108 1HG1 VAL 108 2.586 4.411 6.703 898 HG12 VAL 108 2HG1 VAL 108 3.611 3.416 5.669 899 HG13 VAL 108 3HG1 VAL 108 4.092 3.746 7.333 900 HG21 VAL 108 1HG2 VAL 108 0.584 2.932 6.337 901 HG22 VAL 108 2HG2 VAL 108 0.694 1.198 6.633 902 HG23 VAL 108 3HG2 VAL 108 1.520 1.907 5.245 903 H GLU 109 H GLU 109 3.841 1.277 9.622 904 HA GLU 109 HA GLU 109 6.292 2.654 9.690 905 HB2 GLU 109 2HB GLU 109 4.748 2.703 11.565 906 HB3 GLU 109 3HB GLU 109 4.896 0.960 11.791 907 HG2 GLU 109 2HG GLU 109 7.318 1.298 12.360 908 HG3 GLU 109 3HG GLU 109 7.059 3.040 12.243 909 H GLU 110 H GLU 110 5.566 -0.809 10.137 910 HA GLU 110 HA GLU 110 8.149 -1.744 10.714 911 HB2 GLU 110 2HB GLU 110 5.696 -3.083 9.526 912 HB3 GLU 110 3HB GLU 110 7.168 -3.982 9.887 913 HG2 GLU 110 2HG GLU 110 5.578 -2.410 11.945 914 HG3 GLU 110 3HG GLU 110 5.384 -4.138 11.643 915 H PHE 111 H PHE 111 6.426 -1.255 7.713 916 HA PHE 111 HA PHE 111 8.206 -2.403 5.854 917 HB2 PHE 111 2HB PHE 111 5.785 -1.771 5.493 918 HB3 PHE 111 3HB PHE 111 6.254 -0.080 5.516 919 HD1 PHE 111 HD1 PHE 111 7.201 -3.238 3.732 920 HD2 PHE 111 HD2 PHE 111 6.437 0.949 3.411 921 HE1 PHE 111 HE1 PHE 111 7.453 -3.365 1.328 922 HE2 PHE 111 HE2 PHE 111 6.705 0.804 0.974 923 HZ PHE 111 HZ PHE 111 7.210 -1.360 -0.081 924 H LEU 112 H LEU 112 7.915 0.829 7.273 925 HA LEU 112 HA LEU 112 9.884 2.038 5.547 926 HB2 LEU 112 2HB LEU 112 8.335 3.090 7.931 927 HB3 LEU 112 3HB LEU 112 9.460 4.075 7.000 928 HG LEU 112 HG LEU 112 6.944 2.761 5.892 929 HD11 LEU 112 1HD1 LEU 112 6.395 4.617 7.367 930 HD12 LEU 112 2HD1 LEU 112 6.038 5.010 5.687 931 HD13 LEU 112 3HD1 LEU 112 7.477 5.680 6.462 932 HD21 LEU 112 1HD2 LEU 112 7.398 4.026 3.844 933 HD22 LEU 112 2HD2 LEU 112 8.696 2.893 4.197 934 HD23 LEU 112 3HD2 LEU 112 8.917 4.614 4.527 935 H LYS 113 H LYS 113 9.911 0.829 8.925 936 HA LYS 113 HA LYS 113 12.361 1.895 9.756 937 HB2 LYS 113 2HB LYS 113 11.172 -0.815 10.494 938 HB3 LYS 113 3HB LYS 113 12.530 -0.053 11.320 939 HG2 LYS 113 2HG LYS 113 10.930 1.871 11.867 940 HG3 LYS 113 3HG LYS 113 9.627 0.817 11.304 941 HD2 LYS 113 2HD LYS 113 10.364 -0.901 12.998 942 HD3 LYS 113 3HD LYS 113 11.564 0.251 13.589 943 HE2 LYS 113 2HE LYS 113 8.546 0.535 13.691 944 HE3 LYS 113 3HE LYS 113 9.636 0.297 15.056 945 HZ1 LYS 113 1HZ LYS 113 10.590 2.475 14.635 946 HZ2 LYS 113 2HZ LYS 113 8.919 2.599 14.851 947 HZ3 LYS 113 3HZ LYS 113 9.576 2.699 13.301 948 H GLU 114 H GLU 114 11.610 -1.070 7.990 949 HA GLU 114 HA GLU 114 14.431 -1.818 7.716 950 HB2 GLU 114 2HB GLU 114 11.889 -3.326 6.976 951 HB3 GLU 114 3HB GLU 114 13.528 -3.976 6.891 952 HG2 GLU 114 2HG GLU 114 13.745 -3.631 9.362 953 HG3 GLU 114 3HG GLU 114 12.061 -3.107 9.410 954 H GLY 115 H GLY 115 12.595 0.279 6.111 955 HA2 GLY 115 2HA GLY 115 13.023 1.429 4.190 956 HA3 GLY 115 3HA GLY 115 14.431 0.412 3.949 957 H GLY 116 H GLY 116 11.404 -1.220 4.180 958 HA2 GLY 116 2HA GLY 116 9.817 -1.351 2.273 959 HA3 GLY 116 3HA GLY 116 11.219 -1.491 1.226 960 H SER 117 H SER 117 11.639 -3.143 4.174 961 HA SER 117 HA SER 117 10.993 -5.748 2.904 962 HB2 SER 117 2HB SER 117 13.127 -5.168 5.014 963 HB3 SER 117 3HB SER 117 12.860 -6.704 4.174 964 HG SER 117 HG SER 117 13.900 -4.281 3.188 965 H LEU 118 H LEU 118 8.835 -5.735 3.739 966 HA LEU 118 HA LEU 118 8.513 -5.738 6.677 967 HB2 LEU 118 2HB LEU 118 6.897 -4.591 4.802 968 HB3 LEU 118 3HB LEU 118 6.131 -6.159 4.891 969 HG LEU 118 HG LEU 118 6.375 -4.053 7.042 970 HD11 LEU 118 1HD1 LEU 118 3.945 -4.313 7.228 971 HD12 LEU 118 2HD1 LEU 118 3.982 -5.528 5.945 972 HD13 LEU 118 3HD1 LEU 118 4.458 -3.864 5.604 973 HD21 LEU 118 1HD2 LEU 118 6.991 -6.158 8.165 974 HD22 LEU 118 2HD2 LEU 118 5.524 -6.924 7.559 975 HD23 LEU 118 3HD2 LEU 118 5.415 -5.593 8.715 976 H GLU 119 H GLU 119 7.424 -7.708 3.886 977 HA GLU 119 HA GLU 119 6.743 -9.908 5.626 978 HB2 GLU 119 2HB GLU 119 5.302 -9.345 3.711 979 HB3 GLU 119 3HB GLU 119 6.622 -9.686 2.596 980 HG2 GLU 119 2HG GLU 119 4.915 -11.531 2.794 981 HG3 GLU 119 3HG GLU 119 6.581 -12.025 3.096 982 H HIS 120 H HIS 120 8.288 -11.060 6.411 983 HA HIS 120 HA HIS 120 9.975 -12.723 4.839 984 HB2 HIS 120 2HB HIS 120 12.161 -11.969 5.909 985 HB3 HIS 120 3HB HIS 120 11.512 -10.849 4.717 986 HD1 HIS 120 HD1 HIS 120 11.873 -11.224 8.495 987 HD2 HIS 120 HD2 HIS 120 11.095 -8.281 5.663 988 HE1 HIS 120 HE1 HIS 120 11.888 -9.048 9.751 989 HE2 HIS 120 HE2 HIS 120 11.410 -7.286 8.017 990 H HIS 121 H HIS 121 9.483 -14.559 5.913 991 HA HIS 121 HA HIS 121 9.253 -14.699 8.806 992 HB2 HIS 121 2HB HIS 121 9.235 -16.802 6.602 993 HB3 HIS 121 3HB HIS 121 9.242 -17.257 8.304 994 HD1 HIS 121 HD1 HIS 121 6.977 -17.606 9.254 995 HD2 HIS 121 HD2 HIS 121 6.893 -14.972 6.051 996 HE1 HIS 121 HE1 HIS 121 4.555 -17.030 8.919 997 HE2 HIS 121 HE2 HIS 121 4.565 -15.288 7.102 998 H HIS 122 H HIS 122 10.737 -17.048 9.403 999 HA HIS 122 HA HIS 122 13.369 -15.965 9.794 1000 HB2 HIS 122 2HB HIS 122 12.155 -17.465 11.437 1001 HB3 HIS 122 3HB HIS 122 12.396 -18.808 10.325 1002 HD1 HIS 122 HD1 HIS 122 14.326 -16.460 12.562 1003 HD2 HIS 122 HD2 HIS 122 14.903 -20.024 10.512 1004 HE1 HIS 122 HE1 HIS 122 16.496 -17.374 13.406 1005 HE2 HIS 122 HE2 HIS 122 16.753 -19.596 12.253 1006 H HIS 123 H HIS 123 13.894 -15.591 7.573 1007 HA HIS 123 HA HIS 123 14.155 -17.762 5.676 1008 HB2 HIS 123 2HB HIS 123 13.437 -15.503 4.927 1009 HB3 HIS 123 3HB HIS 123 14.981 -14.831 5.442 1010 HD1 HIS 123 HD1 HIS 123 16.850 -14.898 3.748 1011 HD2 HIS 123 HD2 HIS 123 13.691 -17.363 2.682 1012 HE1 HIS 123 HE1 HIS 123 17.409 -15.756 1.461 1013 HE2 HIS 123 HE2 HIS 123 15.374 -17.056 0.759 1014 H HIS 124 H HIS 124 16.245 -15.831 7.742 1015 HA HIS 124 HA HIS 124 18.639 -17.313 6.905 1016 HB2 HIS 124 2HB HIS 124 18.847 -14.851 7.297 1017 HB3 HIS 124 3HB HIS 124 18.362 -15.083 8.973 1018 HD1 HIS 124 HD1 HIS 124 20.131 -16.050 10.594 1019 HD2 HIS 124 HD2 HIS 124 21.468 -15.729 6.674 1020 HE1 HIS 124 HE1 HIS 124 22.609 -16.431 10.691 1021 HE2 HIS 124 HE2 HIS 124 23.378 -16.327 8.292 1022 H HIS 125 H HIS 125 18.981 -19.216 7.856 1023 HA HIS 125 HA HIS 125 17.619 -20.262 10.079 1024 HB2 HIS 125 2HB HIS 125 18.619 -21.693 8.344 1025 HB3 HIS 125 3HB HIS 125 20.233 -21.169 8.798 1026 HD1 HIS 125 HD1 HIS 125 17.550 -23.562 9.711 1027 HD2 HIS 125 HD2 HIS 125 21.211 -22.333 11.238 1028 HE1 HIS 125 HE1 HIS 125 18.168 -25.271 11.440 1029 HE2 HIS 125 HE2 HIS 125 20.281 -24.388 12.482 Start of MODEL 2 1 H1 MET 1 1H MET 1 16.202 9.416 0.146 2 H2 MET 1 2H MET 1 15.169 9.853 -1.113 3 H3 MET 1 3H MET 1 16.838 9.874 -1.349 4 HA MET 1 HA MET 1 15.901 7.956 -2.407 5 HB2 MET 1 2HB MET 1 17.470 7.270 0.126 6 HB3 MET 1 3HB MET 1 17.243 6.172 -1.234 7 HG2 MET 1 2HG MET 1 19.451 7.187 -1.332 8 HG3 MET 1 3HG MET 1 18.473 7.743 -2.692 9 HE1 MET 1 1HE MET 1 20.143 9.769 -3.188 10 HE2 MET 1 2HE MET 1 21.184 9.224 -1.873 11 HE3 MET 1 3HE MET 1 20.677 10.911 -1.957 12 H GLY 2 H GLY 2 14.551 6.147 -2.357 13 HA2 GLY 2 2HA GLY 2 12.942 4.685 -1.627 14 HA3 GLY 2 3HA GLY 2 13.269 5.182 0.022 15 H LYS 3 H LYS 3 11.797 6.479 -2.985 16 HA LYS 3 HA LYS 3 10.151 8.391 -1.712 17 HB2 LYS 3 2HB LYS 3 10.659 8.565 -4.113 18 HB3 LYS 3 3HB LYS 3 9.805 7.058 -4.439 19 HG2 LYS 3 2HG LYS 3 8.467 9.044 -5.074 20 HG3 LYS 3 3HG LYS 3 7.660 8.089 -3.820 21 HD2 LYS 3 2HD LYS 3 8.707 9.730 -2.127 22 HD3 LYS 3 3HD LYS 3 9.141 10.734 -3.508 23 HE2 LYS 3 2HE LYS 3 6.775 10.971 -4.092 24 HE3 LYS 3 3HE LYS 3 6.326 9.890 -2.768 25 HZ1 LYS 3 1HZ LYS 3 6.065 12.224 -2.157 26 HZ2 LYS 3 2HZ LYS 3 7.704 12.510 -2.444 27 HZ3 LYS 3 3HZ LYS 3 7.231 11.476 -1.192 28 H VAL 4 H VAL 4 8.790 7.789 -0.153 29 HA VAL 4 HA VAL 4 7.259 5.319 -0.259 30 HB VAL 4 HB VAL 4 7.127 7.463 1.912 31 HG11 VAL 4 1HG1 VAL 4 6.273 5.624 3.313 32 HG12 VAL 4 2HG1 VAL 4 6.402 4.511 1.947 33 HG13 VAL 4 3HG1 VAL 4 5.262 5.860 1.885 34 HG21 VAL 4 1HG2 VAL 4 9.473 6.737 1.716 35 HG22 VAL 4 2HG2 VAL 4 8.978 5.050 1.864 36 HG23 VAL 4 3HG2 VAL 4 8.757 6.157 3.221 37 H VAL 5 H VAL 5 5.244 5.253 -0.993 38 HA VAL 5 HA VAL 5 3.504 7.639 -0.873 39 HB VAL 5 HB VAL 5 3.721 5.652 -3.198 40 HG11 VAL 5 1HG1 VAL 5 1.919 6.943 -4.291 41 HG12 VAL 5 2HG1 VAL 5 1.730 7.919 -2.833 42 HG13 VAL 5 3HG1 VAL 5 1.359 6.194 -2.793 43 HG21 VAL 5 1HG2 VAL 5 4.270 8.640 -3.096 44 HG22 VAL 5 2HG2 VAL 5 4.309 7.649 -4.552 45 HG23 VAL 5 3HG2 VAL 5 5.476 7.362 -3.260 46 H PHE 6 H PHE 6 1.788 7.173 0.397 47 HA PHE 6 HA PHE 6 0.896 4.372 0.662 48 HB2 PHE 6 2HB PHE 6 1.368 5.589 2.791 49 HB3 PHE 6 3HB PHE 6 0.139 6.785 2.380 50 HD1 PHE 6 HD1 PHE 6 0.593 3.098 2.849 51 HD2 PHE 6 HD2 PHE 6 -2.097 6.413 3.140 52 HE1 PHE 6 HE1 PHE 6 -1.115 1.628 3.822 53 HE2 PHE 6 HE2 PHE 6 -3.798 4.929 4.123 54 HZ PHE 6 HZ PHE 6 -3.306 2.536 4.451 55 H LEU 7 H LEU 7 -0.930 3.761 -0.219 56 HA LEU 7 HA LEU 7 -2.961 5.701 -1.139 57 HB2 LEU 7 2HB LEU 7 -1.851 4.766 -3.103 58 HB3 LEU 7 3HB LEU 7 -1.960 3.138 -2.456 59 HG LEU 7 HG LEU 7 -4.436 3.200 -2.725 60 HD11 LEU 7 1HD1 LEU 7 -4.842 5.590 -2.510 61 HD12 LEU 7 2HD1 LEU 7 -5.524 4.976 -4.013 62 HD13 LEU 7 3HD1 LEU 7 -4.018 5.895 -4.044 63 HD21 LEU 7 1HD2 LEU 7 -3.033 2.230 -4.483 64 HD22 LEU 7 2HD2 LEU 7 -2.927 3.800 -5.284 65 HD23 LEU 7 3HD2 LEU 7 -4.482 2.976 -5.155 66 H SER 8 H SER 8 -5.014 5.252 -0.400 67 HA SER 8 HA SER 8 -5.806 2.473 0.005 68 HB2 SER 8 2HB SER 8 -6.181 4.628 2.129 69 HB3 SER 8 3HB SER 8 -7.121 3.137 2.093 70 HG SER 8 HG SER 8 -4.306 3.154 2.100 71 H ASP 9 H ASP 9 -8.063 2.193 -0.182 72 HA ASP 9 HA ASP 9 -9.422 4.108 -1.882 73 HB2 ASP 9 2HB ASP 9 -9.568 1.594 -2.168 74 HB3 ASP 9 3HB ASP 9 -10.479 1.517 -0.668 75 H ASP 10 H ASP 10 -9.316 3.228 1.488 76 HA ASP 10 HA ASP 10 -11.659 4.872 2.193 77 HB2 ASP 10 2HB ASP 10 -11.488 2.644 3.265 78 HB3 ASP 10 3HB ASP 10 -9.921 3.073 3.947 79 H GLN 11 H GLN 11 -11.535 6.698 3.425 80 HA GLN 11 HA GLN 11 -9.115 8.229 3.395 81 HB2 GLN 11 2HB GLN 11 -11.275 9.292 2.966 82 HB3 GLN 11 3HB GLN 11 -11.858 8.833 4.563 83 HG2 GLN 11 2HG GLN 11 -11.266 11.205 4.493 84 HG3 GLN 11 3HG GLN 11 -10.214 10.340 5.610 85 HE21 GLN 11 1HE2 GLN 11 -8.004 10.132 5.092 86 HE22 GLN 11 2HE2 GLN 11 -7.258 11.072 3.851 87 H GLU 12 H GLU 12 -11.058 6.722 6.019 88 HA GLU 12 HA GLU 12 -9.725 7.993 8.171 89 HB2 GLU 12 2HB GLU 12 -11.293 5.387 8.170 90 HB3 GLU 12 3HB GLU 12 -10.769 6.245 9.618 91 HG2 GLU 12 2HG GLU 12 -12.127 8.240 8.791 92 HG3 GLU 12 3HG GLU 12 -12.790 7.165 7.558 93 H ILE 13 H ILE 13 -8.995 5.093 6.388 94 HA ILE 13 HA ILE 13 -6.948 4.001 8.007 95 HB ILE 13 HB ILE 13 -7.382 3.929 4.989 96 HG12 ILE 13 2HG1 ILE 13 -9.151 2.789 6.314 97 HG13 ILE 13 3HG1 ILE 13 -8.238 1.647 5.342 98 HG21 ILE 13 1HG2 ILE 13 -5.790 2.064 4.890 99 HG22 ILE 13 2HG2 ILE 13 -5.411 2.293 6.598 100 HG23 ILE 13 3HG2 ILE 13 -5.013 3.554 5.428 101 HD11 ILE 13 1HD1 ILE 13 -8.763 0.746 7.531 102 HD12 ILE 13 2HD1 ILE 13 -7.923 2.079 8.320 103 HD13 ILE 13 3HD1 ILE 13 -7.019 0.917 7.343 104 H ILE 14 H ILE 14 -6.871 6.331 5.313 105 HA ILE 14 HA ILE 14 -4.093 6.784 5.167 106 HB ILE 14 HB ILE 14 -6.439 8.516 4.266 107 HG12 ILE 14 2HG1 ILE 14 -4.606 6.651 2.698 108 HG13 ILE 14 3HG1 ILE 14 -6.244 6.259 3.207 109 HG21 ILE 14 1HG2 ILE 14 -3.513 8.861 3.516 110 HG22 ILE 14 2HG2 ILE 14 -4.462 9.969 4.508 111 HG23 ILE 14 3HG2 ILE 14 -4.867 9.744 2.806 112 HD11 ILE 14 1HD1 ILE 14 -5.445 8.398 1.247 113 HD12 ILE 14 2HD1 ILE 14 -7.094 8.063 1.783 114 HD13 ILE 14 3HD1 ILE 14 -6.193 6.842 0.886 115 H GLU 15 H GLU 15 -6.630 8.360 7.074 116 HA GLU 15 HA GLU 15 -5.134 10.614 7.969 117 HB2 GLU 15 2HB GLU 15 -7.563 9.258 9.232 118 HB3 GLU 15 3HB GLU 15 -6.946 10.848 9.677 119 HG2 GLU 15 2HG GLU 15 -7.442 11.697 7.429 120 HG3 GLU 15 3HG GLU 15 -8.020 10.105 6.936 121 H GLU 16 H GLU 16 -5.623 7.369 9.261 122 HA GLU 16 HA GLU 16 -4.255 7.646 11.733 123 HB2 GLU 16 2HB GLU 16 -4.844 5.231 9.977 124 HB3 GLU 16 3HB GLU 16 -4.134 5.103 11.583 125 HG2 GLU 16 2HG GLU 16 -6.825 6.363 11.007 126 HG3 GLU 16 3HG GLU 16 -6.590 4.694 11.503 127 H VAL 17 H VAL 17 -3.216 6.427 8.564 128 HA VAL 17 HA VAL 17 -0.568 5.729 9.296 129 HB VAL 17 HB VAL 17 -1.847 6.272 6.583 130 HG11 VAL 17 1HG1 VAL 17 0.072 5.086 5.563 131 HG12 VAL 17 2HG1 VAL 17 0.877 5.047 7.134 132 HG13 VAL 17 3HG1 VAL 17 0.564 6.592 6.342 133 HG21 VAL 17 1HG2 VAL 17 -1.901 3.806 6.387 134 HG22 VAL 17 2HG2 VAL 17 -2.816 4.362 7.787 135 HG23 VAL 17 3HG2 VAL 17 -1.213 3.659 8.004 136 H SER 18 H SER 18 -2.007 8.669 7.927 137 HA SER 18 HA SER 18 0.464 10.024 7.413 138 HB2 SER 18 2HB SER 18 -1.651 10.528 6.174 139 HB3 SER 18 3HB SER 18 -2.346 11.198 7.648 140 HG SER 18 HG SER 18 -0.524 12.687 7.635 141 H LYS 19 H LYS 19 -1.785 9.842 10.144 142 HA LYS 19 HA LYS 19 -0.683 11.945 11.715 143 HB2 LYS 19 2HB LYS 19 -2.888 11.029 12.280 144 HB3 LYS 19 3HB LYS 19 -2.208 9.430 12.536 145 HG2 LYS 19 2HG LYS 19 -2.775 10.579 14.662 146 HG3 LYS 19 3HG LYS 19 -1.061 10.177 14.551 147 HD2 LYS 19 2HD LYS 19 -1.361 12.398 15.527 148 HD3 LYS 19 3HD LYS 19 -0.550 12.524 13.967 149 HE2 LYS 19 2HE LYS 19 -2.710 13.188 12.929 150 HE3 LYS 19 3HE LYS 19 -3.486 13.092 14.514 151 HZ1 LYS 19 1HZ LYS 19 -2.847 15.364 13.935 152 HZ2 LYS 19 2HZ LYS 19 -1.226 14.898 13.825 153 HZ3 LYS 19 3HZ LYS 19 -2.027 14.829 15.312 154 H LYS 20 H LYS 20 -0.125 8.413 11.681 155 HA LYS 20 HA LYS 20 1.975 8.392 13.584 156 HB2 LYS 20 2HB LYS 20 0.688 6.400 13.112 157 HB3 LYS 20 3HB LYS 20 1.162 6.414 11.419 158 HG2 LYS 20 2HG LYS 20 3.221 5.453 11.833 159 HG3 LYS 20 3HG LYS 20 3.383 6.193 13.423 160 HD2 LYS 20 2HD LYS 20 1.480 3.890 12.822 161 HD3 LYS 20 3HD LYS 20 3.117 3.678 13.440 162 HE2 LYS 20 2HE LYS 20 2.461 5.137 15.408 163 HE3 LYS 20 3HE LYS 20 0.798 5.055 14.822 164 HZ1 LYS 20 1HZ LYS 20 0.881 2.641 15.054 165 HZ2 LYS 20 2HZ LYS 20 1.222 3.396 16.526 166 HZ3 LYS 20 3HZ LYS 20 2.473 2.725 15.615 167 H ALA 21 H ALA 21 1.929 8.826 10.087 168 HA ALA 21 HA ALA 21 4.733 8.756 9.602 169 HB1 ALA 21 1HB ALA 21 3.061 8.532 7.803 170 HB2 ALA 21 2HB ALA 21 4.199 9.839 7.467 171 HB3 ALA 21 3HB ALA 21 2.569 10.209 8.042 172 H GLU 22 H GLU 22 2.505 11.274 10.653 173 HA GLU 22 HA GLU 22 4.292 13.497 10.373 174 HB2 GLU 22 2HB GLU 22 1.830 13.743 10.374 175 HB3 GLU 22 3HB GLU 22 1.747 13.173 12.036 176 HG2 GLU 22 2HG GLU 22 2.978 15.171 12.791 177 HG3 GLU 22 3HG GLU 22 3.121 15.720 11.124 178 H GLU 23 H GLU 23 3.208 11.550 13.180 179 HA GLU 23 HA GLU 23 4.686 12.814 15.176 180 HB2 GLU 23 2HB GLU 23 3.957 9.850 15.128 181 HB3 GLU 23 3HB GLU 23 4.306 10.823 16.548 182 HG2 GLU 23 2HG GLU 23 1.854 10.907 14.793 183 HG3 GLU 23 3HG GLU 23 1.959 10.513 16.501 184 H GLU 24 H GLU 24 5.584 10.146 13.029 185 HA GLU 24 HA GLU 24 8.216 9.826 14.285 186 HB2 GLU 24 2HB GLU 24 6.828 8.355 12.022 187 HB3 GLU 24 3HB GLU 24 8.404 7.921 12.669 188 HG2 GLU 24 2HG GLU 24 5.862 7.957 14.322 189 HG3 GLU 24 3HG GLU 24 6.477 6.527 13.501 190 H GLY 25 H GLY 25 6.884 11.640 11.723 191 HA2 GLY 25 2HA GLY 25 7.887 13.194 10.345 192 HA3 GLY 25 3HA GLY 25 9.460 12.684 10.934 193 H TYR 26 H TYR 26 7.436 10.151 9.729 194 HA TYR 26 HA TYR 26 9.127 9.575 7.507 195 HB2 TYR 26 2HB TYR 26 6.367 8.482 8.185 196 HB3 TYR 26 3HB TYR 26 7.403 7.847 6.906 197 HD1 TYR 26 HD1 TYR 26 10.053 7.757 8.188 198 HD2 TYR 26 HD2 TYR 26 6.229 6.749 9.794 199 HE1 TYR 26 HE1 TYR 26 11.125 6.218 9.774 200 HE2 TYR 26 HE2 TYR 26 7.307 5.227 11.378 201 HH TYR 26 HH TYR 26 10.624 5.228 11.987 202 H ASP 27 H ASP 27 9.171 10.712 5.697 203 HA ASP 27 HA ASP 27 7.014 12.405 4.829 204 HB2 ASP 27 2HB ASP 27 9.400 13.046 4.532 205 HB3 ASP 27 3HB ASP 27 9.641 11.666 3.463 206 H ILE 28 H ILE 28 5.232 11.396 4.054 207 HA ILE 28 HA ILE 28 5.501 9.235 2.029 208 HB ILE 28 HB ILE 28 3.270 9.442 4.121 209 HG12 ILE 28 2HG1 ILE 28 5.650 7.527 4.091 210 HG13 ILE 28 3HG1 ILE 28 5.333 8.781 5.284 211 HG21 ILE 28 1HG2 ILE 28 3.897 7.254 2.110 212 HG22 ILE 28 2HG2 ILE 28 2.577 8.421 1.995 213 HG23 ILE 28 3HG2 ILE 28 2.586 7.229 3.293 214 HD11 ILE 28 1HD1 ILE 28 4.757 6.655 6.206 215 HD12 ILE 28 2HD1 ILE 28 3.721 6.270 4.835 216 HD13 ILE 28 3HD1 ILE 28 3.271 7.566 5.948 217 H GLN 29 H GLN 29 4.533 9.858 0.096 218 HA GLN 29 HA GLN 29 2.591 11.989 -0.083 219 HB2 GLN 29 2HB GLN 29 4.094 11.541 -1.975 220 HB3 GLN 29 3HB GLN 29 3.551 9.872 -2.062 221 HG2 GLN 29 2HG GLN 29 2.543 11.037 -3.888 222 HG3 GLN 29 3HG GLN 29 1.263 10.724 -2.721 223 HE21 GLN 29 1HE2 GLN 29 0.418 12.519 -1.521 224 HE22 GLN 29 2HE2 GLN 29 0.642 14.141 -2.074 225 H THR 30 H THR 30 0.669 11.575 0.885 226 HA THR 30 HA THR 30 -0.600 8.913 0.689 227 HB THR 30 HB THR 30 -2.219 9.927 2.403 228 HG1 THR 30 HG1 THR 30 -1.251 12.166 1.771 229 HG21 THR 30 1HG2 THR 30 -0.403 8.429 3.155 230 HG22 THR 30 2HG2 THR 30 -0.682 9.716 4.329 231 HG23 THR 30 3HG2 THR 30 0.707 9.803 3.243 232 H SER 31 H SER 31 -2.605 8.644 -0.307 233 HA SER 31 HA SER 31 -4.057 10.853 -1.520 234 HB2 SER 31 2HB SER 31 -2.260 10.528 -3.167 235 HB3 SER 31 3HB SER 31 -2.574 8.795 -3.226 236 HG SER 31 HG SER 31 -4.068 9.172 -4.655 237 H ASN 32 H ASN 32 -6.153 10.332 -1.869 238 HA ASN 32 HA ASN 32 -7.208 7.734 -1.107 239 HB2 ASN 32 2HB ASN 32 -8.570 10.308 -2.040 240 HB3 ASN 32 3HB ASN 32 -9.450 8.841 -1.603 241 HD21 ASN 32 1HD2 ASN 32 -9.577 8.242 0.579 242 HD22 ASN 32 2HD2 ASN 32 -9.142 9.323 1.851 243 H ASP 33 H ASP 33 -6.904 9.744 -3.992 244 HA ASP 33 HA ASP 33 -8.364 8.008 -5.730 245 HB2 ASP 33 2HB ASP 33 -8.274 10.398 -6.239 246 HB3 ASP 33 3HB ASP 33 -6.519 10.345 -6.380 247 H LYS 34 H LYS 34 -7.639 6.065 -6.140 248 HA LYS 34 HA LYS 34 -4.987 5.162 -6.249 249 HB2 LYS 34 2HB LYS 34 -5.894 3.080 -7.128 250 HB3 LYS 34 3HB LYS 34 -6.966 3.703 -5.880 251 HG2 LYS 34 2HG LYS 34 -8.449 4.630 -7.691 252 HG3 LYS 34 3HG LYS 34 -7.407 3.839 -8.874 253 HD2 LYS 34 2HD LYS 34 -9.345 2.446 -8.523 254 HD3 LYS 34 3HD LYS 34 -7.954 1.631 -7.805 255 HE2 LYS 34 2HE LYS 34 -9.815 1.415 -6.298 256 HE3 LYS 34 3HE LYS 34 -8.679 2.542 -5.565 257 HZ1 LYS 34 1HZ LYS 34 -11.187 3.242 -7.000 258 HZ2 LYS 34 2HZ LYS 34 -10.083 4.363 -6.402 259 HZ3 LYS 34 3HZ LYS 34 -10.913 3.349 -5.336 260 H LYS 35 H LYS 35 -6.975 6.675 -8.713 261 HA LYS 35 HA LYS 35 -5.590 5.666 -11.008 262 HB2 LYS 35 2HB LYS 35 -7.298 8.176 -10.791 263 HB3 LYS 35 3HB LYS 35 -6.852 7.355 -12.283 264 HG2 LYS 35 2HG LYS 35 -8.699 6.332 -10.104 265 HG3 LYS 35 3HG LYS 35 -9.139 6.791 -11.745 266 HD2 LYS 35 2HD LYS 35 -7.423 4.395 -10.966 267 HD3 LYS 35 3HD LYS 35 -9.114 4.339 -11.463 268 HE2 LYS 35 2HE LYS 35 -6.837 5.315 -13.213 269 HE3 LYS 35 3HE LYS 35 -7.541 3.702 -13.284 270 HZ1 LYS 35 1HZ LYS 35 -9.637 4.654 -13.945 271 HZ2 LYS 35 2HZ LYS 35 -8.425 5.201 -14.982 272 HZ3 LYS 35 3HZ LYS 35 -9.035 6.223 -13.789 273 H GLU 36 H GLU 36 -5.213 8.511 -8.969 274 HA GLU 36 HA GLU 36 -3.229 9.914 -10.368 275 HB2 GLU 36 2HB GLU 36 -4.384 10.872 -8.417 276 HB3 GLU 36 3HB GLU 36 -3.736 9.619 -7.369 277 HG2 GLU 36 2HG GLU 36 -2.596 11.760 -7.011 278 HG3 GLU 36 3HG GLU 36 -1.482 10.535 -7.613 279 H ILE 37 H ILE 37 -3.026 7.333 -7.948 280 HA ILE 37 HA ILE 37 -0.203 7.339 -7.699 281 HB ILE 37 HB ILE 37 -2.261 5.247 -6.880 282 HG12 ILE 37 2HG1 ILE 37 -2.750 7.389 -5.826 283 HG13 ILE 37 3HG1 ILE 37 -2.042 6.336 -4.609 284 HG21 ILE 37 1HG2 ILE 37 0.610 5.577 -5.957 285 HG22 ILE 37 2HG2 ILE 37 -0.040 4.244 -6.918 286 HG23 ILE 37 3HG2 ILE 37 -0.572 4.474 -5.252 287 HD11 ILE 37 1HD1 ILE 37 -0.705 8.631 -6.042 288 HD12 ILE 37 2HD1 ILE 37 0.144 7.504 -4.983 289 HD13 ILE 37 3HD1 ILE 37 -1.137 8.520 -4.338 290 H ILE 38 H ILE 38 -2.428 5.258 -9.567 291 HA ILE 38 HA ILE 38 -0.613 3.386 -10.618 292 HB ILE 38 HB ILE 38 -3.144 4.538 -11.902 293 HG12 ILE 38 2HG1 ILE 38 -2.784 1.913 -10.376 294 HG13 ILE 38 3HG1 ILE 38 -3.493 3.372 -9.700 295 HG21 ILE 38 1HG2 ILE 38 -3.181 2.544 -13.371 296 HG22 ILE 38 2HG2 ILE 38 -1.627 2.031 -12.713 297 HG23 ILE 38 3HG2 ILE 38 -1.736 3.524 -13.645 298 HD11 ILE 38 1HD1 ILE 38 -5.320 3.234 -11.334 299 HD12 ILE 38 2HD1 ILE 38 -5.212 1.802 -10.312 300 HD13 ILE 38 3HD1 ILE 38 -4.624 1.741 -11.973 301 H ASP 39 H ASP 39 -1.511 6.638 -11.619 302 HA ASP 39 HA ASP 39 -0.102 6.722 -14.080 303 HB2 ASP 39 2HB ASP 39 -2.051 8.228 -13.382 304 HB3 ASP 39 3HB ASP 39 -0.910 9.128 -12.390 305 H ARG 40 H ARG 40 0.765 7.592 -10.739 306 HA ARG 40 HA ARG 40 3.274 8.856 -11.347 307 HB2 ARG 40 2HB ARG 40 2.492 7.534 -8.710 308 HB3 ARG 40 3HB ARG 40 3.724 8.770 -8.949 309 HG2 ARG 40 2HG ARG 40 1.995 10.411 -9.524 310 HG3 ARG 40 3HG ARG 40 0.759 9.168 -9.377 311 HD2 ARG 40 2HD ARG 40 0.562 10.208 -7.319 312 HD3 ARG 40 3HD ARG 40 1.698 8.920 -6.921 313 HE ARG 40 HE ARG 40 3.435 10.507 -6.807 314 HH11 ARG 40 1HH1 ARG 40 0.332 12.020 -7.501 315 HH12 ARG 40 2HH1 ARG 40 0.885 13.602 -7.065 316 HH21 ARG 40 1HH2 ARG 40 4.120 12.612 -6.262 317 HH22 ARG 40 2HH2 ARG 40 3.010 13.937 -6.369 318 H LEU 41 H LEU 41 2.275 5.558 -10.661 319 HA LEU 41 HA LEU 41 4.843 4.336 -10.546 320 HB2 LEU 41 2HB LEU 41 2.090 3.227 -11.204 321 HB3 LEU 41 3HB LEU 41 3.513 2.212 -11.063 322 HG LEU 41 HG LEU 41 2.501 3.937 -8.763 323 HD11 LEU 41 1HD1 LEU 41 0.740 2.325 -9.381 324 HD12 LEU 41 2HD1 LEU 41 1.450 1.942 -7.815 325 HD13 LEU 41 3HD1 LEU 41 1.896 0.996 -9.239 326 HD21 LEU 41 1HD2 LEU 41 4.421 1.583 -8.823 327 HD22 LEU 41 2HD2 LEU 41 3.897 2.461 -7.381 328 HD23 LEU 41 3HD2 LEU 41 4.859 3.281 -8.607 329 H LYS 42 H LYS 42 2.619 5.110 -13.208 330 HA LYS 42 HA LYS 42 4.051 3.931 -15.349 331 HB2 LYS 42 2HB LYS 42 2.294 6.423 -15.335 332 HB3 LYS 42 3HB LYS 42 2.894 5.655 -16.800 333 HG2 LYS 42 2HG LYS 42 1.600 3.651 -16.346 334 HG3 LYS 42 3HG LYS 42 1.094 4.288 -14.777 335 HD2 LYS 42 2HD LYS 42 -0.134 6.115 -15.895 336 HD3 LYS 42 3HD LYS 42 0.398 5.532 -17.475 337 HE2 LYS 42 2HE LYS 42 -1.315 3.936 -15.544 338 HE3 LYS 42 3HE LYS 42 -1.946 4.886 -16.887 339 HZ1 LYS 42 1HZ LYS 42 -0.132 2.543 -17.099 340 HZ2 LYS 42 2HZ LYS 42 -0.643 3.482 -18.403 341 HZ3 LYS 42 3HZ LYS 42 -1.767 2.587 -17.519 342 H ARG 43 H ARG 43 4.387 7.087 -13.735 343 HA ARG 43 HA ARG 43 6.480 8.096 -15.462 344 HB2 ARG 43 2HB ARG 43 5.956 9.121 -12.645 345 HB3 ARG 43 3HB ARG 43 6.553 10.015 -14.040 346 HG2 ARG 43 2HG ARG 43 4.305 9.913 -15.061 347 HG3 ARG 43 3HG ARG 43 3.737 8.981 -13.676 348 HD2 ARG 43 2HD ARG 43 4.567 11.034 -12.271 349 HD3 ARG 43 3HD ARG 43 4.478 11.895 -13.810 350 HE ARG 43 HE ARG 43 2.062 10.885 -13.784 351 HH11 ARG 43 1HH1 ARG 43 3.784 12.253 -11.016 352 HH12 ARG 43 2HH1 ARG 43 2.324 12.752 -10.214 353 HH21 ARG 43 1HH2 ARG 43 0.179 11.508 -12.710 354 HH22 ARG 43 2HH2 ARG 43 0.272 12.326 -11.179 355 H ARG 44 H ARG 44 6.302 5.957 -12.824 356 HA ARG 44 HA ARG 44 7.705 4.699 -11.642 357 HB2 ARG 44 2HB ARG 44 8.899 4.711 -13.987 358 HB3 ARG 44 3HB ARG 44 10.094 5.729 -13.194 359 HG2 ARG 44 2HG ARG 44 10.584 3.947 -11.583 360 HG3 ARG 44 3HG ARG 44 9.311 2.939 -12.280 361 HD2 ARG 44 2HD ARG 44 10.557 3.027 -14.468 362 HD3 ARG 44 3HD ARG 44 11.878 3.835 -13.616 363 HE ARG 44 HE ARG 44 11.290 1.465 -12.252 364 HH11 ARG 44 1HH1 ARG 44 12.631 2.439 -15.368 365 HH12 ARG 44 2HH1 ARG 44 13.580 0.996 -15.539 366 HH21 ARG 44 1HH2 ARG 44 12.488 -0.435 -12.525 367 HH22 ARG 44 2HH2 ARG 44 13.496 -0.630 -13.927 368 H ASN 45 H ASN 45 7.144 7.550 -11.022 369 HA ASN 45 HA ASN 45 9.299 8.817 -9.707 370 HB2 ASN 45 2HB ASN 45 6.300 9.071 -9.220 371 HB3 ASN 45 3HB ASN 45 7.499 10.123 -8.472 372 HD21 ASN 45 1HD2 ASN 45 9.098 10.193 -11.058 373 HD22 ASN 45 2HD2 ASN 45 8.200 11.276 -12.056 374 H ILE 46 H ILE 46 7.395 6.126 -8.781 375 HA ILE 46 HA ILE 46 7.714 6.537 -5.877 376 HB ILE 46 HB ILE 46 6.016 4.447 -7.321 377 HG12 ILE 46 2HG1 ILE 46 5.215 7.167 -6.188 378 HG13 ILE 46 3HG1 ILE 46 5.170 6.682 -7.876 379 HG21 ILE 46 1HG2 ILE 46 4.905 4.144 -5.131 380 HG22 ILE 46 2HG2 ILE 46 6.007 5.313 -4.404 381 HG23 ILE 46 3HG2 ILE 46 6.631 3.784 -5.026 382 HD11 ILE 46 1HD1 ILE 46 3.384 5.085 -7.357 383 HD12 ILE 46 2HD1 ILE 46 2.959 6.740 -6.927 384 HD13 ILE 46 3HD1 ILE 46 3.427 5.601 -5.666 385 H ASP 47 H ASP 47 9.116 5.313 -4.708 386 HA ASP 47 HA ASP 47 10.593 3.101 -6.008 387 HB2 ASP 47 2HB ASP 47 12.026 4.717 -4.956 388 HB3 ASP 47 3HB ASP 47 11.065 4.727 -3.485 389 H MET 48 H MET 48 8.642 3.846 -3.174 390 HA MET 48 HA MET 48 8.012 1.011 -2.775 391 HB2 MET 48 2HB MET 48 8.384 1.278 -0.303 392 HB3 MET 48 3HB MET 48 9.858 1.347 -1.251 393 HG2 MET 48 2HG MET 48 9.807 3.836 -1.069 394 HG3 MET 48 3HG MET 48 8.415 3.691 0.004 395 HE1 MET 48 1HE MET 48 9.459 0.879 1.528 396 HE2 MET 48 2HE MET 48 8.561 2.194 2.295 397 HE3 MET 48 3HE MET 48 10.086 1.647 2.989 398 H ILE 49 H ILE 49 5.948 0.687 -2.195 399 HA ILE 49 HA ILE 49 4.208 2.969 -1.557 400 HB ILE 49 HB ILE 49 4.120 2.917 -3.969 401 HG12 ILE 49 2HG1 ILE 49 1.643 1.587 -2.788 402 HG13 ILE 49 3HG1 ILE 49 1.947 3.313 -2.935 403 HG21 ILE 49 1HG2 ILE 49 5.041 0.678 -4.371 404 HG22 ILE 49 2HG2 ILE 49 3.574 0.937 -5.315 405 HG23 ILE 49 3HG2 ILE 49 3.519 -0.051 -3.854 406 HD11 ILE 49 1HD1 ILE 49 1.490 1.379 -5.200 407 HD12 ILE 49 2HD1 ILE 49 1.857 3.097 -5.384 408 HD13 ILE 49 3HD1 ILE 49 0.366 2.592 -4.590 409 H ILE 50 H ILE 50 2.404 2.397 -0.366 410 HA ILE 50 HA ILE 50 1.982 -0.469 0.291 411 HB ILE 50 HB ILE 50 1.951 1.862 2.286 412 HG12 ILE 50 2HG1 ILE 50 3.958 -0.433 2.033 413 HG13 ILE 50 3HG1 ILE 50 4.262 1.229 1.560 414 HG21 ILE 50 1HG2 ILE 50 1.518 -1.112 2.765 415 HG22 ILE 50 2HG2 ILE 50 0.288 0.153 2.871 416 HG23 ILE 50 3HG2 ILE 50 1.625 0.125 4.020 417 HD11 ILE 50 1HD1 ILE 50 5.317 0.713 3.654 418 HD12 ILE 50 2HD1 ILE 50 3.771 0.251 4.365 419 HD13 ILE 50 3HD1 ILE 50 4.061 1.926 3.887 420 H VAL 51 H VAL 51 -0.089 -1.038 -0.111 421 HA VAL 51 HA VAL 51 -2.172 1.065 -0.409 422 HB VAL 51 HB VAL 51 -1.931 -1.540 -2.006 423 HG11 VAL 51 1HG1 VAL 51 -4.280 -0.874 -1.691 424 HG12 VAL 51 2HG1 VAL 51 -3.795 -0.670 -3.376 425 HG13 VAL 51 3HG1 VAL 51 -3.923 0.739 -2.320 426 HG21 VAL 51 1HG2 VAL 51 -1.409 1.314 -2.906 427 HG22 VAL 51 2HG2 VAL 51 -1.421 -0.106 -3.953 428 HG23 VAL 51 3HG2 VAL 51 -0.197 0.047 -2.691 429 H LYS 52 H LYS 52 -3.736 0.861 1.101 430 HA LYS 52 HA LYS 52 -4.449 -1.823 2.135 431 HB2 LYS 52 2HB LYS 52 -3.743 -0.407 3.967 432 HB3 LYS 52 3HB LYS 52 -4.742 0.926 3.400 433 HG2 LYS 52 2HG LYS 52 -5.724 -0.129 5.385 434 HG3 LYS 52 3HG LYS 52 -6.784 -0.306 3.986 435 HD2 LYS 52 2HD LYS 52 -6.009 -2.643 3.700 436 HD3 LYS 52 3HD LYS 52 -4.939 -2.461 5.095 437 HE2 LYS 52 2HE LYS 52 -7.015 -3.656 5.681 438 HE3 LYS 52 3HE LYS 52 -6.883 -2.134 6.561 439 HZ1 LYS 52 1HZ LYS 52 -8.432 -1.144 4.999 440 HZ2 LYS 52 2HZ LYS 52 -9.114 -2.514 5.709 441 HZ3 LYS 52 3HZ LYS 52 -8.529 -2.587 4.129 442 H THR 53 H THR 53 -6.001 -2.537 0.829 443 HA THR 53 HA THR 53 -8.628 -1.504 1.171 444 HB THR 53 HB THR 53 -8.104 -0.063 -0.752 445 HG1 THR 53 HG1 THR 53 -9.771 -0.869 -2.183 446 HG21 THR 53 1HG2 THR 53 -7.463 -2.595 -2.312 447 HG22 THR 53 2HG2 THR 53 -6.287 -1.385 -1.791 448 HG23 THR 53 3HG2 THR 53 -7.530 -0.954 -2.966 449 H GLU 54 H GLU 54 -10.213 -3.034 0.414 450 HA GLU 54 HA GLU 54 -9.228 -5.804 0.388 451 HB2 GLU 54 2HB GLU 54 -11.958 -4.558 0.914 452 HB3 GLU 54 3HB GLU 54 -11.758 -6.293 0.691 453 HG2 GLU 54 2HG GLU 54 -11.885 -5.731 3.056 454 HG3 GLU 54 3HG GLU 54 -10.311 -6.412 2.666 455 H ASP 55 H ASP 55 -10.365 -3.409 -1.751 456 HA ASP 55 HA ASP 55 -11.765 -4.995 -3.662 457 HB2 ASP 55 2HB ASP 55 -11.954 -2.473 -3.431 458 HB3 ASP 55 3HB ASP 55 -10.347 -2.326 -4.132 459 H LYS 56 H LYS 56 -10.640 -6.756 -4.323 460 HA LYS 56 HA LYS 56 -7.906 -7.098 -4.645 461 HB2 LYS 56 2HB LYS 56 -10.093 -8.587 -6.157 462 HB3 LYS 56 3HB LYS 56 -8.448 -9.160 -5.882 463 HG2 LYS 56 2HG LYS 56 -8.861 -9.286 -3.478 464 HG3 LYS 56 3HG LYS 56 -10.481 -8.630 -3.691 465 HD2 LYS 56 2HD LYS 56 -9.554 -11.250 -4.928 466 HD3 LYS 56 3HD LYS 56 -10.337 -11.143 -3.354 467 HE2 LYS 56 2HE LYS 56 -12.019 -11.764 -4.931 468 HE3 LYS 56 3HE LYS 56 -12.323 -10.078 -4.518 469 HZ1 LYS 56 1HZ LYS 56 -12.539 -10.536 -6.896 470 HZ2 LYS 56 2HZ LYS 56 -10.928 -11.020 -6.972 471 HZ3 LYS 56 3HZ LYS 56 -11.312 -9.412 -6.609 472 H GLU 57 H GLU 57 -10.220 -5.800 -6.939 473 HA GLU 57 HA GLU 57 -8.691 -6.224 -9.325 474 HB2 GLU 57 2HB GLU 57 -10.946 -4.203 -8.994 475 HB3 GLU 57 3HB GLU 57 -10.433 -5.003 -10.474 476 HG2 GLU 57 2HG GLU 57 -11.941 -6.187 -8.137 477 HG3 GLU 57 3HG GLU 57 -12.500 -6.001 -9.792 478 H SER 58 H SER 58 -9.118 -3.485 -7.107 479 HA SER 58 HA SER 58 -7.577 -1.610 -8.641 480 HB2 SER 58 2HB SER 58 -7.698 -0.185 -6.609 481 HB3 SER 58 3HB SER 58 -9.281 -0.832 -7.047 482 HG SER 58 HG SER 58 -9.030 -2.381 -5.421 483 H ILE 59 H ILE 59 -6.951 -3.650 -5.780 484 HA ILE 59 HA ILE 59 -4.279 -3.137 -5.229 485 HB ILE 59 HB ILE 59 -5.713 -5.846 -5.188 486 HG12 ILE 59 2HG1 ILE 59 -5.248 -3.905 -2.870 487 HG13 ILE 59 3HG1 ILE 59 -6.771 -4.096 -3.729 488 HG21 ILE 59 1HG2 ILE 59 -3.122 -5.074 -3.813 489 HG22 ILE 59 2HG2 ILE 59 -3.298 -6.198 -5.160 490 HG23 ILE 59 3HG2 ILE 59 -3.986 -6.596 -3.588 491 HD11 ILE 59 1HD1 ILE 59 -5.391 -6.189 -2.048 492 HD12 ILE 59 2HD1 ILE 59 -6.868 -6.450 -2.978 493 HD13 ILE 59 3HD1 ILE 59 -6.858 -5.294 -1.651 494 H SER 60 H SER 60 -5.690 -5.386 -7.555 495 HA SER 60 HA SER 60 -3.503 -6.624 -8.660 496 HB2 SER 60 2HB SER 60 -5.689 -7.433 -9.192 497 HB3 SER 60 3HB SER 60 -6.197 -5.880 -9.850 498 HG SER 60 HG SER 60 -4.093 -7.408 -10.976 499 H GLU 61 H GLU 61 -5.071 -3.602 -9.824 500 HA GLU 61 HA GLU 61 -3.482 -3.182 -12.101 501 HB2 GLU 61 2HB GLU 61 -4.959 -1.149 -10.371 502 HB3 GLU 61 3HB GLU 61 -4.244 -0.776 -11.937 503 HG2 GLU 61 2HG GLU 61 -5.755 -2.510 -12.967 504 HG3 GLU 61 3HG GLU 61 -6.542 -2.683 -11.397 505 H ILE 62 H ILE 62 -3.133 -1.818 -8.806 506 HA ILE 62 HA ILE 62 -0.875 -0.230 -9.280 507 HB ILE 62 HB ILE 62 -2.031 -1.417 -6.737 508 HG12 ILE 62 2HG1 ILE 62 -2.201 1.069 -6.109 509 HG13 ILE 62 3HG1 ILE 62 -1.648 1.454 -7.731 510 HG21 ILE 62 1HG2 ILE 62 0.588 0.111 -6.866 511 HG22 ILE 62 2HG2 ILE 62 0.357 -1.549 -6.310 512 HG23 ILE 62 3HG2 ILE 62 -0.314 -0.207 -5.387 513 HD11 ILE 62 1HD1 ILE 62 -4.200 0.023 -7.007 514 HD12 ILE 62 2HD1 ILE 62 -3.658 0.384 -8.648 515 HD13 ILE 62 3HD1 ILE 62 -4.043 1.699 -7.537 516 H ILE 63 H ILE 63 -1.065 -3.616 -8.043 517 HA ILE 63 HA ILE 63 1.690 -4.034 -7.688 518 HB ILE 63 HB ILE 63 -0.408 -6.146 -8.377 519 HG12 ILE 63 2HG1 ILE 63 0.649 -5.277 -5.642 520 HG13 ILE 63 3HG1 ILE 63 -0.936 -4.872 -6.291 521 HG21 ILE 63 1HG2 ILE 63 1.168 -7.778 -7.362 522 HG22 ILE 63 2HG2 ILE 63 2.363 -6.496 -7.159 523 HG23 ILE 63 3HG2 ILE 63 1.873 -6.993 -8.778 524 HD11 ILE 63 1HD1 ILE 63 -1.103 -6.685 -4.726 525 HD12 ILE 63 2HD1 ILE 63 0.062 -7.636 -5.642 526 HD13 ILE 63 3HD1 ILE 63 -1.514 -7.251 -6.343 527 H LYS 64 H LYS 64 -0.384 -4.531 -10.561 528 HA LYS 64 HA LYS 64 1.470 -5.766 -12.267 529 HB2 LYS 64 2HB LYS 64 -0.842 -3.895 -12.910 530 HB3 LYS 64 3HB LYS 64 0.072 -4.758 -14.142 531 HG2 LYS 64 2HG LYS 64 -0.685 -6.903 -13.294 532 HG3 LYS 64 3HG LYS 64 -1.464 -6.125 -11.912 533 HD2 LYS 64 2HD LYS 64 -3.160 -6.691 -13.577 534 HD3 LYS 64 3HD LYS 64 -3.009 -4.938 -13.472 535 HE2 LYS 64 2HE LYS 64 -1.584 -4.976 -15.520 536 HE3 LYS 64 3HE LYS 64 -1.826 -6.720 -15.635 537 HZ1 LYS 64 1HZ LYS 64 -3.961 -4.652 -15.777 538 HZ2 LYS 64 2HZ LYS 64 -4.210 -6.321 -15.865 539 HZ3 LYS 64 3HZ LYS 64 -3.343 -5.534 -17.082 540 H GLN 65 H GLN 65 0.852 -2.327 -11.618 541 HA GLN 65 HA GLN 65 2.769 -1.273 -13.452 542 HB2 GLN 65 2HB GLN 65 1.603 0.004 -10.946 543 HB3 GLN 65 3HB GLN 65 2.446 0.857 -12.231 544 HG2 GLN 65 2HG GLN 65 -0.218 -0.560 -12.473 545 HG3 GLN 65 3HG GLN 65 0.039 1.182 -12.407 546 HE21 GLN 65 1HE2 GLN 65 0.976 2.215 -14.199 547 HE22 GLN 65 2HE2 GLN 65 0.990 1.497 -15.769 548 H VAL 66 H VAL 66 2.966 -2.318 -10.070 549 HA VAL 66 HA VAL 66 5.621 -1.315 -9.586 550 HB VAL 66 HB VAL 66 3.914 -3.321 -8.030 551 HG11 VAL 66 1HG1 VAL 66 6.273 -3.647 -7.478 552 HG12 VAL 66 2HG1 VAL 66 5.429 -2.898 -6.128 553 HG13 VAL 66 3HG1 VAL 66 6.461 -1.920 -7.167 554 HG21 VAL 66 1HG2 VAL 66 2.892 -1.080 -8.132 555 HG22 VAL 66 2HG2 VAL 66 4.384 -0.353 -7.535 556 HG23 VAL 66 3HG2 VAL 66 3.450 -1.432 -6.493 557 H LEU 67 H LEU 67 4.259 -4.327 -10.801 558 HA LEU 67 HA LEU 67 6.602 -5.957 -10.725 559 HB2 LEU 67 2HB LEU 67 4.167 -6.073 -12.566 560 HB3 LEU 67 3HB LEU 67 5.409 -7.307 -12.506 561 HG LEU 67 HG LEU 67 3.527 -6.629 -10.208 562 HD11 LEU 67 1HD1 LEU 67 2.412 -8.757 -10.704 563 HD12 LEU 67 2HD1 LEU 67 3.447 -8.982 -12.117 564 HD13 LEU 67 3HD1 LEU 67 2.302 -7.639 -12.064 565 HD21 LEU 67 1HD2 LEU 67 4.342 -8.708 -9.177 566 HD22 LEU 67 2HD2 LEU 67 5.627 -7.522 -9.372 567 HD23 LEU 67 3HD2 LEU 67 5.523 -8.893 -10.479 568 H ASP 68 H ASP 68 5.063 -3.835 -13.070 569 HA ASP 68 HA ASP 68 6.861 -4.079 -15.220 570 HB2 ASP 68 2HB ASP 68 4.561 -3.207 -15.461 571 HB3 ASP 68 3HB ASP 68 4.955 -1.809 -14.468 572 H SER 69 H SER 69 6.760 -1.823 -12.457 573 HA SER 69 HA SER 69 9.031 -0.265 -13.459 574 HB2 SER 69 2HB SER 69 7.325 0.057 -10.954 575 HB3 SER 69 3HB SER 69 8.583 1.183 -11.476 576 HG SER 69 HG SER 69 6.160 0.542 -12.792 577 H GLY 70 H GLY 70 8.562 -2.960 -11.383 578 HA2 GLY 70 2HA GLY 70 10.012 -4.252 -10.172 579 HA3 GLY 70 3HA GLY 70 11.333 -3.307 -10.836 580 H ALA 71 H ALA 71 8.609 -2.338 -8.736 581 HA ALA 71 HA ALA 71 10.523 -1.006 -6.903 582 HB1 ALA 71 1HB ALA 71 8.915 0.453 -8.051 583 HB2 ALA 71 2HB ALA 71 8.619 0.449 -6.311 584 HB3 ALA 71 3HB ALA 71 7.570 -0.479 -7.389 585 H LYS 72 H LYS 72 9.545 -0.746 -4.591 586 HA LYS 72 HA LYS 72 8.877 -3.382 -3.489 587 HB2 LYS 72 2HB LYS 72 9.782 -0.745 -2.243 588 HB3 LYS 72 3HB LYS 72 9.122 -2.034 -1.248 589 HG2 LYS 72 2HG LYS 72 11.586 -2.006 -1.214 590 HG3 LYS 72 3HG LYS 72 10.950 -3.521 -1.845 591 HD2 LYS 72 2HD LYS 72 12.923 -2.779 -3.109 592 HD3 LYS 72 3HD LYS 72 11.490 -2.802 -4.139 593 HE2 LYS 72 2HE LYS 72 12.700 -0.802 -4.652 594 HE3 LYS 72 3HE LYS 72 11.282 -0.306 -3.729 595 HZ1 LYS 72 1HZ LYS 72 12.748 -0.263 -1.746 596 HZ2 LYS 72 2HZ LYS 72 13.149 0.880 -2.920 597 HZ3 LYS 72 3HZ LYS 72 14.076 -0.519 -2.755 598 H VAL 73 H VAL 73 6.859 -3.884 -2.646 599 HA VAL 73 HA VAL 73 4.936 -1.739 -2.108 600 HB VAL 73 HB VAL 73 4.480 -2.298 -4.440 601 HG11 VAL 73 1HG1 VAL 73 3.684 -4.508 -5.163 602 HG12 VAL 73 2HG1 VAL 73 4.020 -5.154 -3.554 603 HG13 VAL 73 3HG1 VAL 73 5.342 -4.561 -4.560 604 HG21 VAL 73 1HG2 VAL 73 2.572 -1.642 -3.041 605 HG22 VAL 73 2HG2 VAL 73 2.264 -3.332 -2.630 606 HG23 VAL 73 3HG2 VAL 73 2.064 -2.777 -4.294 607 H LEU 74 H LEU 74 3.574 -2.142 -0.462 608 HA LEU 74 HA LEU 74 3.441 -4.858 0.712 609 HB2 LEU 74 2HB LEU 74 4.610 -3.213 2.181 610 HB3 LEU 74 3HB LEU 74 3.201 -2.172 2.128 611 HG LEU 74 HG LEU 74 1.867 -3.959 3.280 612 HD11 LEU 74 1HD1 LEU 74 4.505 -5.417 3.565 613 HD12 LEU 74 2HD1 LEU 74 3.117 -5.932 2.600 614 HD13 LEU 74 3HD1 LEU 74 2.983 -5.846 4.353 615 HD21 LEU 74 1HD2 LEU 74 4.332 -3.063 4.808 616 HD22 LEU 74 2HD2 LEU 74 2.817 -3.632 5.517 617 HD23 LEU 74 3HD2 LEU 74 2.844 -2.136 4.589 618 H ILE 75 H ILE 75 1.495 -5.693 0.287 619 HA ILE 75 HA ILE 75 -0.853 -3.956 -0.053 620 HB ILE 75 HB ILE 75 -0.469 -6.914 -0.660 621 HG12 ILE 75 2HG1 ILE 75 0.697 -5.495 -2.265 622 HG13 ILE 75 3HG1 ILE 75 -0.718 -6.193 -3.038 623 HG21 ILE 75 1HG2 ILE 75 -2.955 -5.227 -1.134 624 HG22 ILE 75 2HG2 ILE 75 -2.800 -6.548 0.027 625 HG23 ILE 75 3HG2 ILE 75 -2.708 -6.881 -1.703 626 HD11 ILE 75 1HD1 ILE 75 -0.406 -3.890 -3.702 627 HD12 ILE 75 2HD1 ILE 75 -0.467 -3.357 -2.025 628 HD13 ILE 75 3HD1 ILE 75 -1.904 -4.049 -2.785 629 H LEU 76 H LEU 76 -2.164 -3.685 1.560 630 HA LEU 76 HA LEU 76 -2.321 -5.607 3.788 631 HB2 LEU 76 2HB LEU 76 -2.859 -2.602 3.756 632 HB3 LEU 76 3HB LEU 76 -3.028 -3.646 5.159 633 HG LEU 76 HG LEU 76 -0.399 -3.057 3.731 634 HD11 LEU 76 1HD1 LEU 76 0.198 -1.726 5.700 635 HD12 LEU 76 2HD1 LEU 76 -1.402 -2.004 6.394 636 HD13 LEU 76 3HD1 LEU 76 -1.234 -1.075 4.903 637 HD21 LEU 76 1HD2 LEU 76 0.664 -4.197 5.635 638 HD22 LEU 76 2HD2 LEU 76 -0.393 -5.279 4.734 639 HD23 LEU 76 3HD2 LEU 76 -0.927 -4.614 6.280 640 H SER 77 H SER 77 -4.247 -6.604 3.994 641 HA SER 77 HA SER 77 -6.737 -5.233 3.256 642 HB2 SER 77 2HB SER 77 -6.174 -8.122 2.409 643 HB3 SER 77 3HB SER 77 -7.652 -7.205 2.107 644 HG SER 77 HG SER 77 -6.096 -5.709 0.957 645 H SER 78 H SER 78 -8.380 -5.694 4.708 646 HA SER 78 HA SER 78 -7.748 -6.816 7.231 647 HB2 SER 78 2HB SER 78 -10.195 -6.481 7.697 648 HB3 SER 78 3HB SER 78 -9.419 -5.054 7.014 649 HG SER 78 HG SER 78 -10.994 -5.148 5.614 650 H ASP 79 H ASP 79 -9.092 -8.110 4.317 651 HA ASP 79 HA ASP 79 -9.757 -10.704 5.507 652 HB2 ASP 79 2HB ASP 79 -11.301 -9.556 3.855 653 HB3 ASP 79 3HB ASP 79 -10.071 -9.779 2.616 654 H GLU 80 H GLU 80 -8.328 -12.310 5.500 655 HA GLU 80 HA GLU 80 -5.700 -11.979 4.313 656 HB2 GLU 80 2HB GLU 80 -5.053 -13.922 5.662 657 HB3 GLU 80 3HB GLU 80 -5.890 -12.723 6.640 658 HG2 GLU 80 2HG GLU 80 -7.966 -14.074 6.517 659 HG3 GLU 80 3HG GLU 80 -7.108 -15.279 5.555 660 H ASN 81 H ASN 81 -8.596 -13.577 3.362 661 HA ASN 81 HA ASN 81 -7.335 -15.692 1.801 662 HB2 ASN 81 2HB ASN 81 -10.197 -14.626 1.872 663 HB3 ASN 81 3HB ASN 81 -9.681 -15.925 0.807 664 HD21 ASN 81 1HD2 ASN 81 -8.405 -15.715 4.116 665 HD22 ASN 81 2HD2 ASN 81 -9.312 -17.052 4.719 666 H ILE 82 H ILE 82 -8.529 -12.419 1.363 667 HA ILE 82 HA ILE 82 -7.985 -12.109 -1.406 668 HB ILE 82 HB ILE 82 -8.154 -10.101 0.888 669 HG12 ILE 82 2HG1 ILE 82 -10.063 -10.738 -1.413 670 HG13 ILE 82 3HG1 ILE 82 -10.276 -11.218 0.266 671 HG21 ILE 82 1HG2 ILE 82 -8.191 -8.266 -0.795 672 HG22 ILE 82 2HG2 ILE 82 -7.773 -9.430 -2.051 673 HG23 ILE 82 3HG2 ILE 82 -6.637 -9.102 -0.745 674 HD11 ILE 82 1HD1 ILE 82 -10.320 -8.409 -0.806 675 HD12 ILE 82 2HD1 ILE 82 -10.474 -8.858 0.894 676 HD13 ILE 82 3HD1 ILE 82 -11.701 -9.365 -0.265 677 H ILE 83 H ILE 83 -6.064 -11.316 1.556 678 HA ILE 83 HA ILE 83 -3.646 -10.627 0.355 679 HB ILE 83 HB ILE 83 -4.211 -12.006 3.011 680 HG12 ILE 83 2HG1 ILE 83 -4.976 -9.661 2.782 681 HG13 ILE 83 3HG1 ILE 83 -3.701 -9.786 3.986 682 HG21 ILE 83 1HG2 ILE 83 -1.937 -12.709 2.447 683 HG22 ILE 83 2HG2 ILE 83 -1.902 -11.533 3.761 684 HG23 ILE 83 3HG2 ILE 83 -1.474 -11.035 2.124 685 HD11 ILE 83 1HD1 ILE 83 -3.381 -8.756 1.157 686 HD12 ILE 83 2HD1 ILE 83 -2.085 -8.894 2.351 687 HD13 ILE 83 3HD1 ILE 83 -3.434 -7.797 2.636 688 H GLU 84 H GLU 84 -4.874 -13.897 1.052 689 HA GLU 84 HA GLU 84 -2.597 -15.417 0.354 690 HB2 GLU 84 2HB GLU 84 -4.710 -16.120 1.649 691 HB3 GLU 84 3HB GLU 84 -5.506 -16.317 0.102 692 HG2 GLU 84 2HG GLU 84 -2.989 -17.826 0.847 693 HG3 GLU 84 3HG GLU 84 -4.589 -18.416 1.261 694 H SER 85 H SER 85 -5.466 -14.431 -1.536 695 HA SER 85 HA SER 85 -4.837 -15.606 -3.993 696 HB2 SER 85 2HB SER 85 -7.068 -14.704 -3.397 697 HB3 SER 85 3HB SER 85 -6.422 -13.064 -3.436 698 HG SER 85 HG SER 85 -6.177 -13.206 -5.617 699 H ILE 86 H ILE 86 -3.935 -12.475 -2.617 700 HA ILE 86 HA ILE 86 -2.707 -11.398 -4.950 701 HB ILE 86 HB ILE 86 -2.494 -10.648 -2.001 702 HG12 ILE 86 2HG1 ILE 86 -4.734 -10.271 -2.854 703 HG13 ILE 86 3HG1 ILE 86 -3.961 -8.705 -2.700 704 HG21 ILE 86 1HG2 ILE 86 -1.542 -8.477 -2.712 705 HG22 ILE 86 2HG2 ILE 86 -1.409 -9.090 -4.362 706 HG23 ILE 86 3HG2 ILE 86 -0.468 -9.834 -3.068 707 HD11 ILE 86 1HD1 ILE 86 -5.284 -8.807 -4.709 708 HD12 ILE 86 2HD1 ILE 86 -4.419 -10.236 -5.267 709 HD13 ILE 86 3HD1 ILE 86 -3.580 -8.685 -5.146 710 H ARG 87 H ARG 87 -1.498 -13.407 -2.290 711 HA ARG 87 HA ARG 87 1.301 -13.147 -2.985 712 HB2 ARG 87 2HB ARG 87 -0.082 -15.243 -1.265 713 HB3 ARG 87 3HB ARG 87 1.661 -15.019 -1.383 714 HG2 ARG 87 2HG ARG 87 1.415 -12.755 -0.394 715 HG3 ARG 87 3HG ARG 87 -0.322 -13.026 -0.248 716 HD2 ARG 87 2HD ARG 87 1.908 -14.480 1.205 717 HD3 ARG 87 3HD ARG 87 0.641 -13.464 1.904 718 HE ARG 87 HE ARG 87 0.070 -16.058 0.584 719 HH11 ARG 87 1HH1 ARG 87 -0.340 -13.954 3.400 720 HH12 ARG 87 2HH1 ARG 87 -1.444 -15.050 4.172 721 HH21 ARG 87 1HH2 ARG 87 -1.338 -17.442 1.621 722 HH22 ARG 87 2HH2 ARG 87 -2.004 -17.017 3.169 723 H LYS 88 H LYS 88 -1.326 -15.311 -3.936 724 HA LYS 88 HA LYS 88 0.514 -17.289 -5.064 725 HB2 LYS 88 2HB LYS 88 -1.358 -18.717 -5.381 726 HB3 LYS 88 3HB LYS 88 -1.570 -17.946 -3.816 727 HG2 LYS 88 2HG LYS 88 -3.122 -16.287 -5.072 728 HG3 LYS 88 3HG LYS 88 -3.107 -17.475 -6.375 729 HD2 LYS 88 2HD LYS 88 -4.089 -17.881 -3.528 730 HD3 LYS 88 3HD LYS 88 -5.067 -17.840 -4.991 731 HE2 LYS 88 2HE LYS 88 -4.170 -19.959 -5.736 732 HE3 LYS 88 3HE LYS 88 -2.964 -19.961 -4.440 733 HZ1 LYS 88 1HZ LYS 88 -4.780 -20.074 -2.822 734 HZ2 LYS 88 2HZ LYS 88 -4.802 -21.397 -3.870 735 HZ3 LYS 88 3HZ LYS 88 -5.914 -20.140 -4.076 736 H GLN 89 H GLN 89 -1.728 -14.797 -6.277 737 HA GLN 89 HA GLN 89 -1.246 -15.373 -9.061 738 HB2 GLN 89 2HB GLN 89 -2.384 -12.885 -7.697 739 HB3 GLN 89 3HB GLN 89 -2.318 -13.114 -9.442 740 HG2 GLN 89 2HG GLN 89 -3.836 -15.022 -9.295 741 HG3 GLN 89 3HG GLN 89 -3.845 -14.912 -7.536 742 HE21 GLN 89 1HE2 GLN 89 -6.112 -14.679 -7.520 743 HE22 GLN 89 2HE2 GLN 89 -6.894 -13.215 -8.007 744 H TYR 90 H TYR 90 0.021 -13.064 -6.682 745 HA TYR 90 HA TYR 90 2.287 -12.405 -8.497 746 HB2 TYR 90 2HB TYR 90 1.311 -10.596 -6.247 747 HB3 TYR 90 3HB TYR 90 2.317 -10.173 -7.628 748 HD1 TYR 90 HD1 TYR 90 1.215 -10.058 -9.956 749 HD2 TYR 90 HD2 TYR 90 -1.086 -10.375 -6.363 750 HE1 TYR 90 HE1 TYR 90 -0.798 -9.326 -11.168 751 HE2 TYR 90 HE2 TYR 90 -3.091 -9.639 -7.581 752 HH TYR 90 HH TYR 90 -3.281 -9.569 -10.931 753 HA PRO 91 HA PRO 91 3.958 -14.809 -4.911 754 HB2 PRO 91 2HB PRO 91 6.299 -15.626 -6.118 755 HB3 PRO 91 3HB PRO 91 4.736 -16.414 -6.402 756 HG2 PRO 91 2HG PRO 91 6.136 -14.362 -8.093 757 HG3 PRO 91 3HG PRO 91 5.328 -15.868 -8.591 758 HD2 PRO 91 2HD PRO 91 4.105 -13.461 -8.813 759 HD3 PRO 91 3HD PRO 91 3.194 -14.940 -8.430 760 H LYS 92 H LYS 92 5.472 -12.181 -6.661 761 HA LYS 92 HA LYS 92 7.677 -11.902 -4.754 762 HB2 LYS 92 2HB LYS 92 7.118 -10.383 -7.334 763 HB3 LYS 92 3HB LYS 92 8.629 -10.383 -6.423 764 HG2 LYS 92 2HG LYS 92 8.940 -12.782 -6.915 765 HG3 LYS 92 3HG LYS 92 7.416 -12.807 -7.805 766 HD2 LYS 92 2HD LYS 92 9.895 -11.203 -8.545 767 HD3 LYS 92 3HD LYS 92 9.331 -12.672 -9.343 768 HE2 LYS 92 2HE LYS 92 7.266 -11.482 -10.040 769 HE3 LYS 92 3HE LYS 92 7.865 -10.010 -9.267 770 HZ1 LYS 92 1HZ LYS 92 9.757 -10.034 -10.782 771 HZ2 LYS 92 2HZ LYS 92 8.308 -9.996 -11.641 772 HZ3 LYS 92 3HZ LYS 92 9.180 -11.437 -11.526 773 H VAL 93 H VAL 93 4.608 -10.816 -4.552 774 HA VAL 93 HA VAL 93 5.188 -8.023 -3.839 775 HB VAL 93 HB VAL 93 3.095 -8.499 -5.080 776 HG11 VAL 93 1HG1 VAL 93 2.608 -10.742 -4.182 777 HG12 VAL 93 2HG1 VAL 93 1.205 -9.684 -4.114 778 HG13 VAL 93 3HG1 VAL 93 2.126 -10.022 -2.647 779 HG21 VAL 93 1HG2 VAL 93 2.517 -7.489 -2.277 780 HG22 VAL 93 2HG2 VAL 93 1.521 -7.205 -3.707 781 HG23 VAL 93 3HG2 VAL 93 3.146 -6.531 -3.616 782 H GLU 94 H GLU 94 5.603 -7.366 -1.725 783 HA GLU 94 HA GLU 94 5.345 -9.177 0.496 784 HB2 GLU 94 2HB GLU 94 5.835 -6.164 0.446 785 HB3 GLU 94 3HB GLU 94 5.787 -7.129 1.918 786 HG2 GLU 94 2HG GLU 94 8.052 -7.003 1.551 787 HG3 GLU 94 3HG GLU 94 7.673 -8.533 0.777 788 H THR 95 H THR 95 3.611 -9.450 1.814 789 HA THR 95 HA THR 95 1.322 -7.576 1.689 790 HB THR 95 HB THR 95 -0.276 -9.483 1.646 791 HG1 THR 95 HG1 THR 95 2.063 -11.076 1.289 792 HG21 THR 95 1HG2 THR 95 0.009 -10.244 -0.686 793 HG22 THR 95 2HG2 THR 95 1.658 -9.614 -0.693 794 HG23 THR 95 3HG2 THR 95 0.291 -8.509 -0.540 795 H ARG 96 H ARG 96 -0.091 -7.755 3.530 796 HA ARG 96 HA ARG 96 0.389 -9.655 5.637 797 HB2 ARG 96 2HB ARG 96 2.032 -7.930 6.329 798 HB3 ARG 96 3HB ARG 96 0.810 -6.667 6.206 799 HG2 ARG 96 2HG ARG 96 -0.491 -7.887 8.009 800 HG3 ARG 96 3HG ARG 96 0.895 -8.955 8.201 801 HD2 ARG 96 2HD ARG 96 2.277 -7.117 8.965 802 HD3 ARG 96 3HD ARG 96 1.005 -5.944 8.577 803 HE ARG 96 HE ARG 96 0.016 -7.901 10.370 804 HH11 ARG 96 1HH1 ARG 96 2.136 -5.078 10.418 805 HH12 ARG 96 2HH1 ARG 96 1.829 -4.749 12.091 806 HH21 ARG 96 1HH2 ARG 96 -0.389 -7.429 12.534 807 HH22 ARG 96 2HH2 ARG 96 0.402 -6.079 13.287 808 H ARG 97 H ARG 97 -1.551 -10.080 6.633 809 HA ARG 97 HA ARG 97 -3.978 -8.759 5.950 810 HB2 ARG 97 2HB ARG 97 -3.951 -11.104 6.770 811 HB3 ARG 97 3HB ARG 97 -3.327 -10.565 8.326 812 HG2 ARG 97 2HG ARG 97 -5.492 -9.188 8.550 813 HG3 ARG 97 3HG ARG 97 -6.091 -10.104 7.163 814 HD2 ARG 97 2HD ARG 97 -6.870 -11.133 9.228 815 HD3 ARG 97 3HD ARG 97 -5.719 -12.213 8.432 816 HE ARG 97 HE ARG 97 -4.729 -10.426 10.551 817 HH11 ARG 97 1HH1 ARG 97 -5.555 -13.732 9.587 818 HH12 ARG 97 2HH1 ARG 97 -4.726 -14.442 10.930 819 HH21 ARG 97 1HH2 ARG 97 -3.684 -11.387 12.318 820 HH22 ARG 97 2HH2 ARG 97 -3.664 -13.114 12.483 821 H ALA 98 H ALA 98 -4.690 -6.840 6.723 822 HA ALA 98 HA ALA 98 -3.867 -5.919 9.405 823 HB1 ALA 98 1HB ALA 98 -2.499 -4.674 7.775 824 HB2 ALA 98 2HB ALA 98 -3.666 -3.607 8.563 825 HB3 ALA 98 3HB ALA 98 -3.956 -4.174 6.913 826 H GLN 99 H GLN 99 -5.747 -6.251 10.412 827 HA GLN 99 HA GLN 99 -8.324 -5.926 9.144 828 HB2 GLN 99 2HB GLN 99 -7.571 -6.553 12.034 829 HB3 GLN 99 3HB GLN 99 -9.224 -6.526 11.425 830 HG2 GLN 99 2HG GLN 99 -8.748 -8.402 9.937 831 HG3 GLN 99 3HG GLN 99 -7.056 -8.404 10.437 832 HE21 GLN 99 1HE2 GLN 99 -7.219 -10.574 11.187 833 HE22 GLN 99 2HE2 GLN 99 -8.056 -10.973 12.639 834 H ASP 100 H ASP 100 -6.856 -4.573 12.059 835 HA ASP 100 HA ASP 100 -8.725 -2.393 12.254 836 HB2 ASP 100 2HB ASP 100 -6.139 -2.905 13.802 837 HB3 ASP 100 3HB ASP 100 -7.398 -1.758 14.252 838 H LYS 101 H LYS 101 -8.192 -0.183 12.131 839 HA LYS 101 HA LYS 101 -6.366 0.808 10.241 840 HB2 LYS 101 2HB LYS 101 -6.914 3.013 11.181 841 HB3 LYS 101 3HB LYS 101 -8.362 2.026 11.055 842 HG2 LYS 101 2HG LYS 101 -8.114 1.488 13.519 843 HG3 LYS 101 3HG LYS 101 -6.821 2.691 13.582 844 HD2 LYS 101 2HD LYS 101 -8.474 4.412 12.751 845 HD3 LYS 101 3HD LYS 101 -9.741 3.184 12.869 846 HE2 LYS 101 2HE LYS 101 -9.801 4.583 14.848 847 HE3 LYS 101 3HE LYS 101 -9.266 2.969 15.301 848 HZ1 LYS 101 1HZ LYS 101 -7.941 4.608 16.412 849 HZ2 LYS 101 2HZ LYS 101 -7.533 5.362 14.944 850 HZ3 LYS 101 3HZ LYS 101 -6.966 3.822 15.279 851 H GLU 102 H GLU 102 -6.031 0.013 13.619 852 HA GLU 102 HA GLU 102 -3.512 1.085 14.249 853 HB2 GLU 102 2HB GLU 102 -4.740 -1.529 15.241 854 HB3 GLU 102 3HB GLU 102 -3.464 -0.620 16.039 855 HG2 GLU 102 2HG GLU 102 -6.350 0.222 15.687 856 HG3 GLU 102 3HG GLU 102 -5.574 -0.281 17.184 857 H GLU 103 H GLU 103 -4.417 -2.167 13.064 858 HA GLU 103 HA GLU 103 -1.926 -3.325 12.736 859 HB2 GLU 103 2HB GLU 103 -4.382 -3.719 10.979 860 HB3 GLU 103 3HB GLU 103 -3.001 -4.805 11.029 861 HG2 GLU 103 2HG GLU 103 -4.870 -4.233 13.338 862 HG3 GLU 103 3HG GLU 103 -4.949 -5.642 12.286 863 H VAL 104 H VAL 104 -3.706 -1.186 10.540 864 HA VAL 104 HA VAL 104 -2.060 -1.540 8.257 865 HB VAL 104 HB VAL 104 -3.831 0.860 8.909 866 HG11 VAL 104 1HG1 VAL 104 -2.266 1.347 7.090 867 HG12 VAL 104 2HG1 VAL 104 -3.899 1.196 6.451 868 HG13 VAL 104 3HG1 VAL 104 -2.752 -0.123 6.239 869 HG21 VAL 104 1HG2 VAL 104 -4.561 -1.685 7.413 870 HG22 VAL 104 2HG2 VAL 104 -5.593 -0.262 7.592 871 HG23 VAL 104 3HG2 VAL 104 -5.143 -1.208 9.009 872 H LYS 105 H LYS 105 -2.261 1.184 10.610 873 HA LYS 105 HA LYS 105 -0.261 2.716 9.310 874 HB2 LYS 105 2HB LYS 105 -0.400 4.252 11.198 875 HB3 LYS 105 3HB LYS 105 -2.013 3.738 10.717 876 HG2 LYS 105 2HG LYS 105 -1.955 2.061 12.611 877 HG3 LYS 105 3HG LYS 105 -0.443 2.809 13.137 878 HD2 LYS 105 2HD LYS 105 -1.646 4.984 13.411 879 HD3 LYS 105 3HD LYS 105 -3.154 4.188 12.937 880 HE2 LYS 105 2HE LYS 105 -2.817 2.610 14.892 881 HE3 LYS 105 3HE LYS 105 -1.479 3.643 15.406 882 HZ1 LYS 105 1HZ LYS 105 -3.583 4.156 16.521 883 HZ2 LYS 105 2HZ LYS 105 -4.279 4.549 15.038 884 HZ3 LYS 105 3HZ LYS 105 -2.997 5.474 15.639 885 H ASP 106 H ASP 106 -0.097 0.470 12.074 886 HA ASP 106 HA ASP 106 2.674 0.833 12.594 887 HB2 ASP 106 2HB ASP 106 0.655 -1.318 13.312 888 HB3 ASP 106 3HB ASP 106 2.342 -1.466 13.793 889 H ALA 107 H ALA 107 0.918 -1.294 10.359 890 HA ALA 107 HA ALA 107 3.150 -2.913 9.609 891 HB1 ALA 107 1HB ALA 107 0.843 -3.634 9.146 892 HB2 ALA 107 2HB ALA 107 1.799 -3.588 7.662 893 HB3 ALA 107 3HB ALA 107 0.640 -2.300 8.008 894 H VAL 108 H VAL 108 1.866 0.160 8.480 895 HA VAL 108 HA VAL 108 3.571 0.531 6.223 896 HB VAL 108 HB VAL 108 2.151 2.621 7.955 897 HG11 VAL 108 1HG1 VAL 108 3.417 2.986 5.213 898 HG12 VAL 108 2HG1 VAL 108 4.016 3.664 6.725 899 HG13 VAL 108 3HG1 VAL 108 2.467 4.198 6.073 900 HG21 VAL 108 1HG2 VAL 108 0.594 1.059 6.846 901 HG22 VAL 108 2HG2 VAL 108 1.324 1.428 5.285 902 HG23 VAL 108 3HG2 VAL 108 0.450 2.683 6.169 903 H GLU 109 H GLU 109 3.606 1.844 9.528 904 HA GLU 109 HA GLU 109 5.934 3.295 9.593 905 HB2 GLU 109 2HB GLU 109 4.281 3.309 11.416 906 HB3 GLU 109 3HB GLU 109 4.661 1.637 11.820 907 HG2 GLU 109 2HG GLU 109 6.976 2.360 12.422 908 HG3 GLU 109 3HG GLU 109 6.497 4.020 12.113 909 H GLU 110 H GLU 110 5.500 -0.172 10.204 910 HA GLU 110 HA GLU 110 8.166 -0.770 10.996 911 HB2 GLU 110 2HB GLU 110 6.206 -2.200 11.573 912 HB3 GLU 110 3HB GLU 110 6.037 -2.654 9.878 913 HG2 GLU 110 2HG GLU 110 8.212 -3.747 9.908 914 HG3 GLU 110 3HG GLU 110 8.504 -3.215 11.565 915 H PHE 111 H PHE 111 6.422 -1.184 7.897 916 HA PHE 111 HA PHE 111 8.456 -2.351 6.354 917 HB2 PHE 111 2HB PHE 111 5.969 -2.097 5.789 918 HB3 PHE 111 3HB PHE 111 6.300 -0.438 5.336 919 HD1 PHE 111 HD1 PHE 111 6.634 -3.974 4.348 920 HD2 PHE 111 HD2 PHE 111 7.520 0.053 3.209 921 HE1 PHE 111 HE1 PHE 111 7.065 -4.713 2.039 922 HE2 PHE 111 HE2 PHE 111 7.957 -0.698 0.906 923 HZ PHE 111 HZ PHE 111 7.724 -3.080 0.316 924 H LEU 112 H LEU 112 7.927 0.948 7.345 925 HA LEU 112 HA LEU 112 9.866 2.168 5.583 926 HB2 LEU 112 2HB LEU 112 8.537 3.312 8.069 927 HB3 LEU 112 3HB LEU 112 9.397 4.226 6.835 928 HG LEU 112 HG LEU 112 6.771 2.747 6.479 929 HD11 LEU 112 1HD1 LEU 112 6.505 4.825 7.694 930 HD12 LEU 112 2HD1 LEU 112 5.792 4.939 6.089 931 HD13 LEU 112 3HD1 LEU 112 7.348 5.707 6.417 932 HD21 LEU 112 1HD2 LEU 112 6.715 3.632 4.203 933 HD22 LEU 112 2HD2 LEU 112 8.061 2.525 4.446 934 HD23 LEU 112 3HD2 LEU 112 8.349 4.268 4.404 935 H LYS 113 H LYS 113 9.782 1.258 9.096 936 HA LYS 113 HA LYS 113 12.322 2.207 9.809 937 HB2 LYS 113 2HB LYS 113 10.844 -0.217 10.933 938 HB3 LYS 113 3HB LYS 113 12.243 0.539 11.682 939 HG2 LYS 113 2HG LYS 113 10.847 2.659 11.891 940 HG3 LYS 113 3HG LYS 113 9.461 1.694 11.377 941 HD2 LYS 113 2HD LYS 113 9.908 0.139 13.321 942 HD3 LYS 113 3HD LYS 113 11.169 1.252 13.858 943 HE2 LYS 113 2HE LYS 113 8.195 1.789 13.680 944 HE3 LYS 113 3HE LYS 113 9.170 1.672 15.139 945 HZ1 LYS 113 1HZ LYS 113 9.278 3.812 13.087 946 HZ2 LYS 113 2HZ LYS 113 10.373 3.679 14.361 947 HZ3 LYS 113 3HZ LYS 113 8.738 3.963 14.681 948 H GLU 114 H GLU 114 11.294 -0.910 8.494 949 HA GLU 114 HA GLU 114 13.913 -2.100 8.538 950 HB2 GLU 114 2HB GLU 114 11.458 -3.086 7.016 951 HB3 GLU 114 3HB GLU 114 12.855 -4.035 7.506 952 HG2 GLU 114 2HG GLU 114 10.600 -2.984 9.221 953 HG3 GLU 114 3HG GLU 114 11.102 -4.650 8.978 954 H GLY 115 H GLY 115 12.143 -0.080 6.348 955 HA2 GLY 115 2HA GLY 115 13.057 1.081 4.524 956 HA3 GLY 115 3HA GLY 115 14.345 -0.112 4.393 957 H GLY 116 H GLY 116 12.926 -2.438 4.304 958 HA2 GLY 116 2HA GLY 116 10.716 -2.329 2.412 959 HA3 GLY 116 3HA GLY 116 12.199 -3.092 1.811 960 H SER 117 H SER 117 9.514 -4.218 2.523 961 HA SER 117 HA SER 117 8.593 -6.099 3.334 962 HB2 SER 117 2HB SER 117 11.485 -6.968 3.601 963 HB3 SER 117 3HB SER 117 10.108 -8.057 3.760 964 HG SER 117 HG SER 117 9.973 -6.566 1.491 965 H LEU 118 H LEU 118 8.697 -7.795 5.255 966 HA LEU 118 HA LEU 118 8.858 -6.257 7.781 967 HB2 LEU 118 2HB LEU 118 6.700 -8.257 7.000 968 HB3 LEU 118 3HB LEU 118 6.743 -7.290 8.465 969 HG LEU 118 HG LEU 118 6.371 -6.184 5.643 970 HD11 LEU 118 1HD1 LEU 118 4.418 -7.464 6.361 971 HD12 LEU 118 2HD1 LEU 118 4.043 -5.744 6.301 972 HD13 LEU 118 3HD1 LEU 118 4.324 -6.534 7.857 973 HD21 LEU 118 1HD2 LEU 118 5.845 -4.045 6.743 974 HD22 LEU 118 2HD2 LEU 118 7.496 -4.559 7.076 975 HD23 LEU 118 3HD2 LEU 118 6.251 -4.743 8.316 976 H GLU 119 H GLU 119 8.585 -9.590 6.433 977 HA GLU 119 HA GLU 119 9.549 -10.880 8.816 978 HB2 GLU 119 2HB GLU 119 9.363 -12.052 6.002 979 HB3 GLU 119 3HB GLU 119 9.581 -12.960 7.490 980 HG2 GLU 119 2HG GLU 119 7.330 -13.302 7.021 981 HG3 GLU 119 3HG GLU 119 7.265 -11.979 8.179 982 H HIS 120 H HIS 120 10.987 -10.902 5.532 983 HA HIS 120 HA HIS 120 13.652 -10.341 6.702 984 HB2 HIS 120 2HB HIS 120 12.941 -12.464 4.637 985 HB3 HIS 120 3HB HIS 120 14.564 -11.773 4.710 986 HD1 HIS 120 HD1 HIS 120 12.228 -14.029 6.594 987 HD2 HIS 120 HD2 HIS 120 16.093 -12.526 6.961 988 HE1 HIS 120 HE1 HIS 120 13.297 -15.342 8.454 989 HE2 HIS 120 HE2 HIS 120 15.558 -14.295 8.764 990 H HIS 121 H HIS 121 14.807 -8.799 5.626 991 HA HIS 121 HA HIS 121 12.922 -6.888 4.586 992 HB2 HIS 121 2HB HIS 121 15.835 -6.458 5.373 993 HB3 HIS 121 3HB HIS 121 14.572 -5.230 5.234 994 HD1 HIS 121 HD1 HIS 121 12.300 -6.354 6.790 995 HD2 HIS 121 HD2 HIS 121 16.227 -6.769 8.080 996 HE1 HIS 121 HE1 HIS 121 12.151 -6.995 9.201 997 HE2 HIS 121 HE2 HIS 121 14.529 -7.015 10.003 998 H HIS 122 H HIS 122 12.781 -6.072 2.647 999 HA HIS 122 HA HIS 122 14.327 -7.087 0.430 1000 HB2 HIS 122 2HB HIS 122 11.777 -6.667 0.461 1001 HB3 HIS 122 3HB HIS 122 12.131 -4.956 0.354 1002 HD1 HIS 122 HD1 HIS 122 10.444 -6.145 -1.791 1003 HD2 HIS 122 HD2 HIS 122 14.588 -6.053 -2.043 1004 HE1 HIS 122 HE1 HIS 122 10.976 -6.266 -4.237 1005 HE2 HIS 122 HE2 HIS 122 13.479 -6.411 -4.338 1006 H HIS 123 H HIS 123 16.345 -6.147 1.322 1007 HA HIS 123 HA HIS 123 16.701 -3.271 0.840 1008 HB2 HIS 123 2HB HIS 123 18.961 -3.592 1.860 1009 HB3 HIS 123 3HB HIS 123 17.636 -4.022 2.926 1010 HD1 HIS 123 HD1 HIS 123 20.521 -5.497 1.058 1011 HD2 HIS 123 HD2 HIS 123 17.610 -6.698 3.762 1012 HE1 HIS 123 HE1 HIS 123 21.267 -7.738 1.898 1013 HE2 HIS 123 HE2 HIS 123 19.575 -8.361 3.647 1014 H HIS 124 H HIS 124 16.043 -4.243 -1.389 1015 HA HIS 124 HA HIS 124 18.377 -4.137 -3.119 1016 HB2 HIS 124 2HB HIS 124 18.037 -6.589 -2.715 1017 HB3 HIS 124 3HB HIS 124 16.384 -6.454 -3.297 1018 HD1 HIS 124 HD1 HIS 124 16.029 -6.608 -5.797 1019 HD2 HIS 124 HD2 HIS 124 20.044 -6.231 -4.790 1020 HE1 HIS 124 HE1 HIS 124 17.297 -7.005 -7.922 1021 HE2 HIS 124 HE2 HIS 124 19.701 -6.585 -7.326 1022 H HIS 125 H HIS 125 17.877 -2.717 -4.673 1023 HA HIS 125 HA HIS 125 15.158 -2.498 -5.737 1024 HB2 HIS 125 2HB HIS 125 15.164 -0.025 -5.571 1025 HB3 HIS 125 3HB HIS 125 15.247 -0.771 -3.979 1026 HD1 HIS 125 HD1 HIS 125 16.937 1.670 -6.127 1027 HD2 HIS 125 HD2 HIS 125 17.920 -0.586 -2.771 1028 HE1 HIS 125 HE1 HIS 125 18.998 2.739 -5.172 1029 HE2 HIS 125 HE2 HIS 125 19.690 1.227 -3.286 Start of MODEL 3 1 H1 MET 1 1H MET 1 16.808 6.705 -1.752 2 H2 MET 1 2H MET 1 17.285 5.803 -3.102 3 H3 MET 1 3H MET 1 16.118 5.192 -2.040 4 HA MET 1 HA MET 1 15.805 7.618 -3.699 5 HB2 MET 1 2HB MET 1 14.732 4.794 -4.060 6 HB3 MET 1 3HB MET 1 14.041 6.178 -4.892 7 HG2 MET 1 2HG MET 1 16.928 5.330 -5.174 8 HG3 MET 1 3HG MET 1 15.639 4.809 -6.254 9 HE1 MET 1 1HE MET 1 14.345 6.418 -7.927 10 HE2 MET 1 2HE MET 1 14.562 8.166 -7.957 11 HE3 MET 1 3HE MET 1 13.829 7.395 -6.551 12 H GLY 2 H GLY 2 14.859 8.928 -2.225 13 HA2 GLY 2 2HA GLY 2 13.022 7.958 -0.206 14 HA3 GLY 2 3HA GLY 2 13.579 9.606 -0.438 15 H LYS 3 H LYS 3 11.327 7.168 -1.680 16 HA LYS 3 HA LYS 3 9.263 9.169 -1.505 17 HB2 LYS 3 2HB LYS 3 9.953 9.469 -3.881 18 HB3 LYS 3 3HB LYS 3 9.621 7.769 -4.193 19 HG2 LYS 3 2HG LYS 3 7.786 9.265 -4.977 20 HG3 LYS 3 3HG LYS 3 7.241 8.089 -3.778 21 HD2 LYS 3 2HD LYS 3 6.240 10.291 -3.342 22 HD3 LYS 3 3HD LYS 3 7.318 9.832 -2.024 23 HE2 LYS 3 2HE LYS 3 9.106 11.261 -3.137 24 HE3 LYS 3 3HE LYS 3 7.846 11.846 -4.229 25 HZ1 LYS 3 1HZ LYS 3 6.630 12.660 -2.300 26 HZ2 LYS 3 2HZ LYS 3 8.174 13.346 -2.372 27 HZ3 LYS 3 3HZ LYS 3 7.850 12.106 -1.267 28 H VAL 4 H VAL 4 8.412 8.009 0.108 29 HA VAL 4 HA VAL 4 7.184 5.406 -0.468 30 HB VAL 4 HB VAL 4 6.833 7.103 2.053 31 HG11 VAL 4 1HG1 VAL 4 6.368 4.128 1.576 32 HG12 VAL 4 2HG1 VAL 4 5.117 5.366 1.706 33 HG13 VAL 4 3HG1 VAL 4 6.125 4.987 3.101 34 HG21 VAL 4 1HG2 VAL 4 8.919 4.930 1.605 35 HG22 VAL 4 2HG2 VAL 4 8.585 5.743 3.135 36 HG23 VAL 4 3HG2 VAL 4 9.233 6.658 1.775 37 H VAL 5 H VAL 5 5.069 5.271 -1.081 38 HA VAL 5 HA VAL 5 3.276 7.606 -0.747 39 HB VAL 5 HB VAL 5 3.457 5.749 -3.182 40 HG11 VAL 5 1HG1 VAL 5 1.427 7.954 -2.644 41 HG12 VAL 5 2HG1 VAL 5 1.098 6.221 -2.697 42 HG13 VAL 5 3HG1 VAL 5 1.604 7.062 -4.159 43 HG21 VAL 5 1HG2 VAL 5 5.176 7.487 -3.215 44 HG22 VAL 5 2HG2 VAL 5 3.974 8.740 -2.920 45 HG23 VAL 5 3HG2 VAL 5 3.957 7.846 -4.438 46 H PHE 6 H PHE 6 1.692 7.047 0.619 47 HA PHE 6 HA PHE 6 0.801 4.243 0.783 48 HB2 PHE 6 2HB PHE 6 1.317 5.361 2.944 49 HB3 PHE 6 3HB PHE 6 0.101 6.594 2.611 50 HD1 PHE 6 HD1 PHE 6 0.560 2.927 3.081 51 HD2 PHE 6 HD2 PHE 6 -2.197 6.186 3.204 52 HE1 PHE 6 HE1 PHE 6 -1.158 1.431 3.985 53 HE2 PHE 6 HE2 PHE 6 -3.911 4.685 4.120 54 HZ PHE 6 HZ PHE 6 -3.391 2.305 4.495 55 H LEU 7 H LEU 7 -0.794 3.734 -0.496 56 HA LEU 7 HA LEU 7 -2.988 5.610 -1.106 57 HB2 LEU 7 2HB LEU 7 -2.001 4.574 -3.065 58 HB3 LEU 7 3HB LEU 7 -2.077 2.978 -2.335 59 HG LEU 7 HG LEU 7 -4.553 3.024 -2.482 60 HD11 LEU 7 1HD1 LEU 7 -5.718 4.756 -3.789 61 HD12 LEU 7 2HD1 LEU 7 -4.221 5.686 -3.898 62 HD13 LEU 7 3HD1 LEU 7 -4.982 5.415 -2.328 63 HD21 LEU 7 1HD2 LEU 7 -3.194 3.559 -5.140 64 HD22 LEU 7 2HD2 LEU 7 -4.715 2.697 -4.892 65 HD23 LEU 7 3HD2 LEU 7 -3.214 2.014 -4.281 66 H SER 8 H SER 8 -5.026 5.216 -0.242 67 HA SER 8 HA SER 8 -5.781 2.492 0.444 68 HB2 SER 8 2HB SER 8 -5.009 3.336 2.622 69 HB3 SER 8 3HB SER 8 -6.015 4.770 2.457 70 HG SER 8 HG SER 8 -7.525 3.636 3.360 71 H ASP 9 H ASP 9 -7.982 2.166 0.307 72 HA ASP 9 HA ASP 9 -9.457 4.093 -1.325 73 HB2 ASP 9 2HB ASP 9 -9.318 1.659 -1.906 74 HB3 ASP 9 3HB ASP 9 -10.163 1.271 -0.420 75 H ASP 10 H ASP 10 -9.191 3.086 1.942 76 HA ASP 10 HA ASP 10 -11.736 4.332 2.776 77 HB2 ASP 10 2HB ASP 10 -11.261 2.059 3.666 78 HB3 ASP 10 3HB ASP 10 -9.751 2.631 4.362 79 H GLN 11 H GLN 11 -11.729 6.301 3.753 80 HA GLN 11 HA GLN 11 -9.446 7.968 3.640 81 HB2 GLN 11 2HB GLN 11 -11.710 8.821 3.276 82 HB3 GLN 11 3HB GLN 11 -12.157 8.436 4.933 83 HG2 GLN 11 2HG GLN 11 -11.778 10.832 4.674 84 HG3 GLN 11 3HG GLN 11 -10.584 10.141 5.770 85 HE21 GLN 11 1HE2 GLN 11 -8.398 10.116 5.126 86 HE22 GLN 11 2HE2 GLN 11 -7.827 11.012 3.768 87 H GLU 12 H GLU 12 -11.068 6.436 6.444 88 HA GLU 12 HA GLU 12 -9.763 7.852 8.499 89 HB2 GLU 12 2HB GLU 12 -10.790 4.987 8.552 90 HB3 GLU 12 3HB GLU 12 -10.345 5.919 9.978 91 HG2 GLU 12 2HG GLU 12 -12.156 7.540 9.459 92 HG3 GLU 12 3HG GLU 12 -12.605 6.569 8.059 93 H ILE 13 H ILE 13 -8.939 4.747 6.977 94 HA ILE 13 HA ILE 13 -6.563 4.071 8.166 95 HB ILE 13 HB ILE 13 -7.134 3.918 5.171 96 HG12 ILE 13 2HG1 ILE 13 -8.926 2.834 6.605 97 HG13 ILE 13 3HG1 ILE 13 -8.133 1.760 5.468 98 HG21 ILE 13 1HG2 ILE 13 -5.240 2.268 6.868 99 HG22 ILE 13 2HG2 ILE 13 -4.785 3.508 5.698 100 HG23 ILE 13 3HG2 ILE 13 -5.569 2.030 5.152 101 HD11 ILE 13 1HD1 ILE 13 -7.565 1.894 8.416 102 HD12 ILE 13 2HD1 ILE 13 -6.845 0.769 7.267 103 HD13 ILE 13 3HD1 ILE 13 -8.573 0.701 7.608 104 H ILE 14 H ILE 14 -6.975 6.267 5.368 105 HA ILE 14 HA ILE 14 -4.328 6.888 4.750 106 HB ILE 14 HB ILE 14 -6.791 8.681 4.510 107 HG12 ILE 14 2HG1 ILE 14 -5.526 6.899 2.379 108 HG13 ILE 14 3HG1 ILE 14 -6.954 6.468 3.314 109 HG21 ILE 14 1HG2 ILE 14 -5.577 9.934 2.769 110 HG22 ILE 14 2HG2 ILE 14 -4.141 8.953 3.054 111 HG23 ILE 14 3HG2 ILE 14 -4.735 10.028 4.319 112 HD11 ILE 14 1HD1 ILE 14 -7.592 7.255 1.143 113 HD12 ILE 14 2HD1 ILE 14 -6.703 8.760 1.377 114 HD13 ILE 14 3HD1 ILE 14 -8.128 8.410 2.361 115 H GLU 15 H GLU 15 -6.574 8.530 6.959 116 HA GLU 15 HA GLU 15 -4.836 10.664 7.695 117 HB2 GLU 15 2HB GLU 15 -7.273 9.562 9.146 118 HB3 GLU 15 3HB GLU 15 -6.505 11.115 9.471 119 HG2 GLU 15 2HG GLU 15 -7.060 11.853 7.154 120 HG3 GLU 15 3HG GLU 15 -7.886 10.317 6.886 121 H GLU 16 H GLU 16 -5.426 7.458 9.073 122 HA GLU 16 HA GLU 16 -4.000 7.765 11.498 123 HB2 GLU 16 2HB GLU 16 -4.564 5.312 9.793 124 HB3 GLU 16 3HB GLU 16 -3.806 5.225 11.378 125 HG2 GLU 16 2HG GLU 16 -6.566 6.320 10.811 126 HG3 GLU 16 3HG GLU 16 -6.205 4.726 11.459 127 H VAL 17 H VAL 17 -2.975 6.532 8.325 128 HA VAL 17 HA VAL 17 -0.300 5.940 9.124 129 HB VAL 17 HB VAL 17 -1.552 6.193 6.358 130 HG11 VAL 17 1HG1 VAL 17 1.153 5.022 7.112 131 HG12 VAL 17 2HG1 VAL 17 0.863 6.468 6.142 132 HG13 VAL 17 3HG1 VAL 17 0.389 4.888 5.527 133 HG21 VAL 17 1HG2 VAL 17 -1.640 3.727 6.403 134 HG22 VAL 17 2HG2 VAL 17 -2.576 4.422 7.725 135 HG23 VAL 17 3HG2 VAL 17 -0.987 3.720 8.042 136 H SER 18 H SER 18 -1.841 8.703 7.495 137 HA SER 18 HA SER 18 0.543 10.102 6.818 138 HB2 SER 18 2HB SER 18 -1.657 10.531 5.728 139 HB3 SER 18 3HB SER 18 -2.269 11.213 7.234 140 HG SER 18 HG SER 18 0.100 12.339 6.380 141 H LYS 19 H LYS 19 -1.640 10.214 9.622 142 HA LYS 19 HA LYS 19 -0.394 12.358 11.005 143 HB2 LYS 19 2HB LYS 19 -2.666 11.629 11.581 144 HB3 LYS 19 3HB LYS 19 -2.079 10.040 12.050 145 HG2 LYS 19 2HG LYS 19 -2.621 11.435 14.008 146 HG3 LYS 19 3HG LYS 19 -0.917 10.986 13.979 147 HD2 LYS 19 2HD LYS 19 -1.158 13.319 14.660 148 HD3 LYS 19 3HD LYS 19 -0.343 13.230 13.100 149 HE2 LYS 19 2HE LYS 19 -2.548 13.747 11.995 150 HE3 LYS 19 3HE LYS 19 -3.243 13.987 13.601 151 HZ1 LYS 19 1HZ LYS 19 -2.559 16.078 12.606 152 HZ2 LYS 19 2HZ LYS 19 -0.973 15.520 12.444 153 HZ3 LYS 19 3HZ LYS 19 -1.630 15.756 13.984 154 H LYS 20 H LYS 20 -0.004 8.837 11.165 155 HA LYS 20 HA LYS 20 2.010 8.719 13.146 156 HB2 LYS 20 2HB LYS 20 0.599 6.802 12.436 157 HB3 LYS 20 3HB LYS 20 1.453 6.752 10.895 158 HG2 LYS 20 2HG LYS 20 3.528 6.155 11.999 159 HG3 LYS 20 3HG LYS 20 2.798 6.390 13.590 160 HD2 LYS 20 2HD LYS 20 1.189 4.530 13.063 161 HD3 LYS 20 3HD LYS 20 2.075 4.255 11.557 162 HE2 LYS 20 2HE LYS 20 2.806 2.700 13.262 163 HE3 LYS 20 3HE LYS 20 4.123 3.790 12.862 164 HZ1 LYS 20 1HZ LYS 20 2.350 3.979 15.244 165 HZ2 LYS 20 2HZ LYS 20 3.595 5.058 14.862 166 HZ3 LYS 20 3HZ LYS 20 3.960 3.450 15.234 167 H ALA 21 H ALA 21 2.138 9.054 9.641 168 HA ALA 21 HA ALA 21 4.952 8.851 9.301 169 HB1 ALA 21 1HB ALA 21 3.374 8.600 7.434 170 HB2 ALA 21 2HB ALA 21 4.566 9.854 7.095 171 HB3 ALA 21 3HB ALA 21 2.921 10.300 7.567 172 H GLU 22 H GLU 22 2.786 11.515 10.118 173 HA GLU 22 HA GLU 22 4.702 13.628 9.905 174 HB2 GLU 22 2HB GLU 22 2.279 14.051 9.832 175 HB3 GLU 22 3HB GLU 22 2.090 13.446 11.476 176 HG2 GLU 22 2HG GLU 22 3.439 15.326 12.330 177 HG3 GLU 22 3HG GLU 22 3.656 15.935 10.687 178 H GLU 23 H GLU 23 3.572 11.572 12.605 179 HA GLU 23 HA GLU 23 5.054 12.637 14.714 180 HB2 GLU 23 2HB GLU 23 4.425 9.684 14.242 181 HB3 GLU 23 3HB GLU 23 4.905 10.394 15.779 182 HG2 GLU 23 2HG GLU 23 2.811 11.761 15.756 183 HG3 GLU 23 3HG GLU 23 2.332 10.943 14.275 184 H GLU 24 H GLU 24 5.948 10.135 12.364 185 HA GLU 24 HA GLU 24 8.617 9.777 13.450 186 HB2 GLU 24 2HB GLU 24 7.103 8.501 11.149 187 HB3 GLU 24 3HB GLU 24 8.773 8.098 11.519 188 HG2 GLU 24 2HG GLU 24 6.417 7.705 13.399 189 HG3 GLU 24 3HG GLU 24 7.196 6.447 12.440 190 H GLY 25 H GLY 25 7.211 11.788 11.072 191 HA2 GLY 25 2HA GLY 25 8.118 13.373 9.669 192 HA3 GLY 25 3HA GLY 25 9.719 12.932 10.246 193 H TYR 26 H TYR 26 7.696 10.408 9.006 194 HA TYR 26 HA TYR 26 9.417 9.811 6.799 195 HB2 TYR 26 2HB TYR 26 6.689 8.720 7.598 196 HB3 TYR 26 3HB TYR 26 7.579 8.128 6.203 197 HD1 TYR 26 HD1 TYR 26 10.371 8.018 7.370 198 HD2 TYR 26 HD2 TYR 26 6.608 6.783 8.984 199 HE1 TYR 26 HE1 TYR 26 11.507 6.302 8.718 200 HE2 TYR 26 HE2 TYR 26 7.744 5.076 10.341 201 HH TYR 26 HH TYR 26 11.116 4.988 10.771 202 H ASP 27 H ASP 27 9.409 10.882 4.912 203 HA ASP 27 HA ASP 27 7.274 12.453 3.859 204 HB2 ASP 27 2HB ASP 27 9.515 12.987 3.144 205 HB3 ASP 27 3HB ASP 27 9.831 11.331 2.645 206 H ILE 28 H ILE 28 5.409 11.226 3.834 207 HA ILE 28 HA ILE 28 5.246 9.045 1.827 208 HB ILE 28 HB ILE 28 3.509 9.313 4.334 209 HG12 ILE 28 2HG1 ILE 28 5.796 7.368 3.748 210 HG13 ILE 28 3HG1 ILE 28 5.743 8.580 5.022 211 HG21 ILE 28 1HG2 ILE 28 2.319 8.311 2.425 212 HG22 ILE 28 2HG2 ILE 28 2.597 7.110 3.681 213 HG23 ILE 28 3HG2 ILE 28 3.605 7.114 2.232 214 HD11 ILE 28 1HD1 ILE 28 4.095 6.063 4.840 215 HD12 ILE 28 2HD1 ILE 28 3.852 7.322 6.053 216 HD13 ILE 28 3HD1 ILE 28 5.375 6.440 5.990 217 H GLN 29 H GLN 29 4.097 9.683 0.105 218 HA GLN 29 HA GLN 29 2.142 11.825 0.179 219 HB2 GLN 29 2HB GLN 29 3.539 11.548 -1.811 220 HB3 GLN 29 3HB GLN 29 2.993 9.888 -2.016 221 HG2 GLN 29 2HG GLN 29 1.880 11.277 -3.634 222 HG3 GLN 29 3HG GLN 29 0.693 10.723 -2.464 223 HE21 GLN 29 1HE2 GLN 29 2.975 13.417 -1.984 224 HE22 GLN 29 2HE2 GLN 29 1.758 14.642 -1.912 225 H THR 30 H THR 30 0.180 11.433 0.984 226 HA THR 30 HA THR 30 -0.997 8.729 0.823 227 HB THR 30 HB THR 30 -2.492 9.527 2.688 228 HG1 THR 30 HG1 THR 30 -0.767 11.793 2.575 229 HG21 THR 30 1HG2 THR 30 0.481 9.647 3.315 230 HG22 THR 30 2HG2 THR 30 -0.496 8.181 3.218 231 HG23 THR 30 3HG2 THR 30 -0.814 9.366 4.480 232 H SER 31 H SER 31 -2.900 8.411 -0.220 233 HA SER 31 HA SER 31 -4.605 10.603 -1.083 234 HB2 SER 31 2HB SER 31 -2.900 10.565 -2.879 235 HB3 SER 31 3HB SER 31 -3.166 8.842 -3.122 236 HG SER 31 HG SER 31 -4.275 10.387 -4.585 237 H ASN 32 H ASN 32 -6.547 9.823 -2.136 238 HA ASN 32 HA ASN 32 -7.424 7.172 -1.168 239 HB2 ASN 32 2HB ASN 32 -8.659 9.176 -0.299 240 HB3 ASN 32 3HB ASN 32 -9.096 9.612 -1.943 241 HD21 ASN 32 1HD2 ASN 32 -9.531 7.180 0.572 242 HD22 ASN 32 2HD2 ASN 32 -11.030 6.560 -0.021 243 H ASP 33 H ASP 33 -7.086 9.265 -3.952 244 HA ASP 33 HA ASP 33 -8.584 7.590 -5.771 245 HB2 ASP 33 2HB ASP 33 -8.537 10.028 -6.118 246 HB3 ASP 33 3HB ASP 33 -6.788 9.992 -6.321 247 H LYS 34 H LYS 34 -7.747 5.667 -6.136 248 HA LYS 34 HA LYS 34 -5.029 4.899 -6.108 249 HB2 LYS 34 2HB LYS 34 -5.830 2.741 -6.883 250 HB3 LYS 34 3HB LYS 34 -6.981 3.390 -5.725 251 HG2 LYS 34 2HG LYS 34 -8.202 4.280 -7.923 252 HG3 LYS 34 3HG LYS 34 -7.284 2.985 -8.684 253 HD2 LYS 34 2HD LYS 34 -9.480 2.147 -8.122 254 HD3 LYS 34 3HD LYS 34 -8.303 1.369 -7.063 255 HE2 LYS 34 2HE LYS 34 -8.913 2.869 -5.229 256 HE3 LYS 34 3HE LYS 34 -10.015 3.757 -6.283 257 HZ1 LYS 34 1HZ LYS 34 -11.221 2.216 -4.911 258 HZ2 LYS 34 2HZ LYS 34 -10.293 0.916 -5.458 259 HZ3 LYS 34 3HZ LYS 34 -11.326 1.719 -6.524 260 H LYS 35 H LYS 35 -7.027 6.242 -8.593 261 HA LYS 35 HA LYS 35 -5.720 5.193 -10.896 262 HB2 LYS 35 2HB LYS 35 -7.447 7.689 -10.657 263 HB3 LYS 35 3HB LYS 35 -7.105 6.790 -12.136 264 HG2 LYS 35 2HG LYS 35 -8.317 4.824 -11.210 265 HG3 LYS 35 3HG LYS 35 -8.669 5.747 -9.747 266 HD2 LYS 35 2HD LYS 35 -10.622 5.735 -11.227 267 HD3 LYS 35 3HD LYS 35 -9.978 7.372 -11.091 268 HE2 LYS 35 2HE LYS 35 -8.887 7.151 -13.273 269 HE3 LYS 35 3HE LYS 35 -9.432 5.475 -13.399 270 HZ1 LYS 35 1HZ LYS 35 -11.699 6.229 -13.465 271 HZ2 LYS 35 2HZ LYS 35 -10.811 7.015 -14.668 272 HZ3 LYS 35 3HZ LYS 35 -11.225 7.842 -13.252 273 H GLU 36 H GLU 36 -5.425 8.202 -9.046 274 HA GLU 36 HA GLU 36 -3.471 9.537 -10.592 275 HB2 GLU 36 2HB GLU 36 -4.715 10.630 -8.719 276 HB3 GLU 36 3HB GLU 36 -3.890 9.590 -7.560 277 HG2 GLU 36 2HG GLU 36 -1.692 10.632 -8.524 278 HG3 GLU 36 3HG GLU 36 -2.752 11.864 -9.201 279 H ILE 37 H ILE 37 -3.259 7.245 -7.908 280 HA ILE 37 HA ILE 37 -0.467 7.399 -7.489 281 HB ILE 37 HB ILE 37 -2.448 5.216 -6.690 282 HG12 ILE 37 2HG1 ILE 37 -3.102 7.396 -5.780 283 HG13 ILE 37 3HG1 ILE 37 -2.475 6.399 -4.476 284 HG21 ILE 37 1HG2 ILE 37 0.333 5.754 -5.593 285 HG22 ILE 37 2HG2 ILE 37 -0.161 4.358 -6.554 286 HG23 ILE 37 3HG2 ILE 37 -0.829 4.595 -4.939 287 HD11 ILE 37 1HD1 ILE 37 -1.072 8.692 -5.853 288 HD12 ILE 37 2HD1 ILE 37 -0.313 7.635 -4.662 289 HD13 ILE 37 3HD1 ILE 37 -1.683 8.638 -4.201 290 H ILE 38 H ILE 38 -2.461 5.211 -9.442 291 HA ILE 38 HA ILE 38 -0.517 3.433 -10.414 292 HB ILE 38 HB ILE 38 -3.039 4.537 -11.738 293 HG12 ILE 38 2HG1 ILE 38 -2.520 1.822 -10.438 294 HG13 ILE 38 3HG1 ILE 38 -3.360 3.160 -9.669 295 HG21 ILE 38 1HG2 ILE 38 -2.906 2.678 -13.371 296 HG22 ILE 38 2HG2 ILE 38 -1.330 2.227 -12.726 297 HG23 ILE 38 3HG2 ILE 38 -1.540 3.782 -13.528 298 HD11 ILE 38 1HD1 ILE 38 -4.287 1.633 -12.095 299 HD12 ILE 38 2HD1 ILE 38 -5.119 3.019 -11.383 300 HD13 ILE 38 3HD1 ILE 38 -4.933 1.531 -10.457 301 H ASP 39 H ASP 39 -1.549 6.617 -11.569 302 HA ASP 39 HA ASP 39 0.061 6.749 -13.894 303 HB2 ASP 39 2HB ASP 39 -1.959 8.158 -13.522 304 HB3 ASP 39 3HB ASP 39 -1.117 9.037 -12.252 305 H ARG 40 H ARG 40 0.649 7.610 -10.531 306 HA ARG 40 HA ARG 40 3.138 8.988 -10.965 307 HB2 ARG 40 2HB ARG 40 2.025 7.774 -8.405 308 HB3 ARG 40 3HB ARG 40 3.322 8.965 -8.508 309 HG2 ARG 40 2HG ARG 40 1.742 10.622 -9.432 310 HG3 ARG 40 3HG ARG 40 0.457 9.417 -9.384 311 HD2 ARG 40 2HD ARG 40 0.182 10.886 -7.498 312 HD3 ARG 40 3HD ARG 40 0.715 9.316 -6.891 313 HE ARG 40 HE ARG 40 3.020 10.364 -6.855 314 HH11 ARG 40 1HH1 ARG 40 0.120 12.306 -6.354 315 HH12 ARG 40 2HH1 ARG 40 0.951 13.502 -5.410 316 HH21 ARG 40 1HH2 ARG 40 4.078 11.905 -5.622 317 HH22 ARG 40 2HH2 ARG 40 3.216 13.273 -4.991 318 H LEU 41 H LEU 41 2.205 5.653 -10.315 319 HA LEU 41 HA LEU 41 4.808 4.520 -10.036 320 HB2 LEU 41 2HB LEU 41 2.190 3.314 -11.023 321 HB3 LEU 41 3HB LEU 41 3.636 2.367 -10.719 322 HG LEU 41 HG LEU 41 2.230 3.986 -8.560 323 HD11 LEU 41 1HD1 LEU 41 1.928 1.018 -9.117 324 HD12 LEU 41 2HD1 LEU 41 0.696 2.253 -9.380 325 HD13 LEU 41 3HD1 LEU 41 1.246 1.899 -7.745 326 HD21 LEU 41 1HD2 LEU 41 3.552 2.615 -7.009 327 HD22 LEU 41 2HD2 LEU 41 4.580 3.545 -8.096 328 HD23 LEU 41 3HD2 LEU 41 4.341 1.817 -8.376 329 H LYS 42 H LYS 42 2.781 5.319 -12.808 330 HA LYS 42 HA LYS 42 4.323 4.131 -14.882 331 HB2 LYS 42 2HB LYS 42 2.372 6.463 -14.916 332 HB3 LYS 42 3HB LYS 42 3.074 5.767 -16.375 333 HG2 LYS 42 2HG LYS 42 1.971 3.643 -15.960 334 HG3 LYS 42 3HG LYS 42 1.382 4.213 -14.396 335 HD2 LYS 42 2HD LYS 42 -0.391 4.272 -16.122 336 HD3 LYS 42 3HD LYS 42 -0.036 5.880 -15.488 337 HE2 LYS 42 2HE LYS 42 -0.345 5.935 -17.927 338 HE3 LYS 42 3HE LYS 42 1.310 6.379 -17.497 339 HZ1 LYS 42 1HZ LYS 42 2.049 4.190 -18.110 340 HZ2 LYS 42 2HZ LYS 42 1.156 4.831 -19.396 341 HZ3 LYS 42 3HZ LYS 42 0.463 3.671 -18.381 342 H ARG 43 H ARG 43 4.489 7.280 -13.283 343 HA ARG 43 HA ARG 43 6.465 8.479 -14.979 344 HB2 ARG 43 2HB ARG 43 5.959 9.115 -12.029 345 HB3 ARG 43 3HB ARG 43 6.699 10.169 -13.233 346 HG2 ARG 43 2HG ARG 43 4.583 10.450 -14.386 347 HG3 ARG 43 3HG ARG 43 3.822 9.235 -13.363 348 HD2 ARG 43 2HD ARG 43 4.363 10.767 -11.377 349 HD3 ARG 43 3HD ARG 43 4.746 12.009 -12.578 350 HE ARG 43 HE ARG 43 2.232 11.060 -13.243 351 HH11 ARG 43 1HH1 ARG 43 3.655 12.683 -10.463 352 HH12 ARG 43 2HH1 ARG 43 2.167 13.445 -9.999 353 HH21 ARG 43 1HH2 ARG 43 0.285 12.014 -12.592 354 HH22 ARG 43 2HH2 ARG 43 0.249 13.070 -11.208 355 H ARG 44 H ARG 44 6.646 5.930 -12.746 356 HA ARG 44 HA ARG 44 8.188 4.824 -11.549 357 HB2 ARG 44 2HB ARG 44 9.732 5.873 -13.815 358 HB3 ARG 44 3HB ARG 44 10.757 5.791 -12.396 359 HG2 ARG 44 2HG ARG 44 9.258 3.503 -13.699 360 HG3 ARG 44 3HG ARG 44 11.003 3.756 -13.659 361 HD2 ARG 44 2HD ARG 44 9.194 3.048 -11.333 362 HD3 ARG 44 3HD ARG 44 10.452 2.046 -12.052 363 HE ARG 44 HE ARG 44 11.524 4.491 -11.029 364 HH11 ARG 44 1HH1 ARG 44 10.428 1.303 -9.981 365 HH12 ARG 44 2HH1 ARG 44 11.398 1.317 -8.545 366 HH21 ARG 44 1HH2 ARG 44 12.737 4.512 -9.108 367 HH22 ARG 44 2HH2 ARG 44 12.704 3.134 -8.049 368 H ASN 45 H ASN 45 7.174 7.439 -10.715 369 HA ASN 45 HA ASN 45 9.306 8.917 -9.448 370 HB2 ASN 45 2HB ASN 45 7.196 9.926 -10.458 371 HB3 ASN 45 3HB ASN 45 6.292 9.273 -9.099 372 HD21 ASN 45 1HD2 ASN 45 8.620 11.629 -10.132 373 HD22 ASN 45 2HD2 ASN 45 8.575 12.608 -8.712 374 H ILE 46 H ILE 46 7.275 6.301 -8.587 375 HA ILE 46 HA ILE 46 7.495 6.746 -5.677 376 HB ILE 46 HB ILE 46 5.855 4.644 -7.177 377 HG12 ILE 46 2HG1 ILE 46 4.978 7.324 -5.995 378 HG13 ILE 46 3HG1 ILE 46 5.010 6.899 -7.699 379 HG21 ILE 46 1HG2 ILE 46 4.702 4.297 -5.016 380 HG22 ILE 46 2HG2 ILE 46 5.771 5.471 -4.249 381 HG23 ILE 46 3HG2 ILE 46 6.429 3.960 -4.876 382 HD11 ILE 46 1HD1 ILE 46 3.220 5.291 -7.352 383 HD12 ILE 46 2HD1 ILE 46 2.754 6.893 -6.787 384 HD13 ILE 46 3HD1 ILE 46 3.208 5.651 -5.624 385 H ASP 47 H ASP 47 9.036 5.643 -4.550 386 HA ASP 47 HA ASP 47 10.585 3.525 -5.871 387 HB2 ASP 47 2HB ASP 47 11.839 5.266 -4.699 388 HB3 ASP 47 3HB ASP 47 10.965 4.942 -3.203 389 H MET 48 H MET 48 8.521 4.004 -3.049 390 HA MET 48 HA MET 48 7.916 1.153 -2.944 391 HB2 MET 48 2HB MET 48 8.307 1.037 -0.479 392 HB3 MET 48 3HB MET 48 9.786 1.308 -1.385 393 HG2 MET 48 2HG MET 48 9.580 3.759 -0.809 394 HG3 MET 48 3HG MET 48 8.263 3.318 0.276 395 HE1 MET 48 1HE MET 48 10.224 0.954 2.822 396 HE2 MET 48 2HE MET 48 9.516 0.387 1.310 397 HE3 MET 48 3HE MET 48 8.632 1.527 2.327 398 H ILE 49 H ILE 49 5.880 0.740 -2.181 399 HA ILE 49 HA ILE 49 4.120 3.006 -1.539 400 HB ILE 49 HB ILE 49 4.049 2.875 -3.970 401 HG12 ILE 49 2HG1 ILE 49 1.531 1.622 -2.778 402 HG13 ILE 49 3HG1 ILE 49 1.883 3.343 -2.888 403 HG21 ILE 49 1HG2 ILE 49 3.365 -0.072 -3.720 404 HG22 ILE 49 2HG2 ILE 49 4.899 0.592 -4.282 405 HG23 ILE 49 3HG2 ILE 49 3.432 0.851 -5.224 406 HD11 ILE 49 1HD1 ILE 49 0.298 2.660 -4.573 407 HD12 ILE 49 2HD1 ILE 49 1.437 1.476 -5.210 408 HD13 ILE 49 3HD1 ILE 49 1.798 3.201 -5.326 409 H ILE 50 H ILE 50 2.237 2.403 -0.432 410 HA ILE 50 HA ILE 50 1.874 -0.444 0.299 411 HB ILE 50 HB ILE 50 1.737 1.908 2.255 412 HG12 ILE 50 2HG1 ILE 50 3.847 -0.301 2.114 413 HG13 ILE 50 3HG1 ILE 50 4.090 1.353 1.580 414 HG21 ILE 50 1HG2 ILE 50 1.463 0.162 4.004 415 HG22 ILE 50 2HG2 ILE 50 1.411 -1.078 2.752 416 HG23 ILE 50 3HG2 ILE 50 0.141 0.142 2.838 417 HD11 ILE 50 1HD1 ILE 50 3.587 0.452 4.402 418 HD12 ILE 50 2HD1 ILE 50 3.766 2.129 3.880 419 HD13 ILE 50 3HD1 ILE 50 5.112 1.002 3.711 420 H VAL 51 H VAL 51 -0.168 -1.025 -0.203 421 HA VAL 51 HA VAL 51 -2.271 1.046 -0.504 422 HB VAL 51 HB VAL 51 -1.991 -1.593 -2.033 423 HG11 VAL 51 1HG1 VAL 51 -4.351 -0.941 -1.765 424 HG12 VAL 51 2HG1 VAL 51 -3.843 -0.775 -3.443 425 HG13 VAL 51 3HG1 VAL 51 -4.004 0.659 -2.429 426 HG21 VAL 51 1HG2 VAL 51 -0.264 -0.005 -2.726 427 HG22 VAL 51 2HG2 VAL 51 -1.479 1.250 -2.983 428 HG23 VAL 51 3HG2 VAL 51 -1.470 -0.191 -4.000 429 H LYS 52 H LYS 52 -3.870 0.866 0.923 430 HA LYS 52 HA LYS 52 -4.630 -1.774 2.034 431 HB2 LYS 52 2HB LYS 52 -3.921 -0.351 3.840 432 HB3 LYS 52 3HB LYS 52 -4.825 1.022 3.213 433 HG2 LYS 52 2HG LYS 52 -5.902 0.094 5.210 434 HG3 LYS 52 3HG LYS 52 -6.945 -0.061 3.797 435 HD2 LYS 52 2HD LYS 52 -6.297 -2.457 3.606 436 HD3 LYS 52 3HD LYS 52 -5.281 -2.287 5.043 437 HE2 LYS 52 2HE LYS 52 -7.479 -3.315 5.559 438 HE3 LYS 52 3HE LYS 52 -7.249 -1.784 6.409 439 HZ1 LYS 52 1HZ LYS 52 -9.458 -1.923 5.498 440 HZ2 LYS 52 2HZ LYS 52 -8.862 -2.212 3.945 441 HZ3 LYS 52 3HZ LYS 52 -8.605 -0.712 4.687 442 H THR 53 H THR 53 -6.302 -2.538 0.874 443 HA THR 53 HA THR 53 -8.815 -1.168 0.919 444 HB THR 53 HB THR 53 -8.071 -0.033 -1.079 445 HG1 THR 53 HG1 THR 53 -10.056 -0.439 -1.678 446 HG21 THR 53 1HG2 THR 53 -7.306 -1.155 -3.110 447 HG22 THR 53 2HG2 THR 53 -7.426 -2.726 -2.322 448 HG23 THR 53 3HG2 THR 53 -6.233 -1.551 -1.766 449 H GLU 54 H GLU 54 -10.554 -2.506 0.444 450 HA GLU 54 HA GLU 54 -10.099 -5.396 0.596 451 HB2 GLU 54 2HB GLU 54 -12.536 -3.598 0.899 452 HB3 GLU 54 3HB GLU 54 -12.698 -5.348 0.828 453 HG2 GLU 54 2HG GLU 54 -12.742 -4.408 3.135 454 HG3 GLU 54 3HG GLU 54 -11.500 -5.627 2.886 455 H ASP 55 H ASP 55 -10.221 -3.238 -1.858 456 HA ASP 55 HA ASP 55 -11.948 -4.752 -3.671 457 HB2 ASP 55 2HB ASP 55 -11.987 -2.205 -3.594 458 HB3 ASP 55 3HB ASP 55 -10.375 -2.214 -4.300 459 H LYS 56 H LYS 56 -11.032 -6.482 -4.427 460 HA LYS 56 HA LYS 56 -8.410 -7.265 -4.672 461 HB2 LYS 56 2HB LYS 56 -10.758 -8.079 -6.434 462 HB3 LYS 56 3HB LYS 56 -9.249 -8.978 -6.274 463 HG2 LYS 56 2HG LYS 56 -9.715 -9.497 -3.962 464 HG3 LYS 56 3HG LYS 56 -11.112 -8.417 -3.948 465 HD2 LYS 56 2HD LYS 56 -11.779 -10.795 -4.082 466 HD3 LYS 56 3HD LYS 56 -12.313 -9.881 -5.492 467 HE2 LYS 56 2HE LYS 56 -11.460 -12.085 -6.139 468 HE3 LYS 56 3HE LYS 56 -10.436 -10.810 -6.802 469 HZ1 LYS 56 1HZ LYS 56 -9.150 -12.637 -5.874 470 HZ2 LYS 56 2HZ LYS 56 -9.857 -12.393 -4.361 471 HZ3 LYS 56 3HZ LYS 56 -8.858 -11.205 -5.026 472 H GLU 57 H GLU 57 -10.321 -5.428 -7.033 473 HA GLU 57 HA GLU 57 -8.464 -5.728 -9.226 474 HB2 GLU 57 2HB GLU 57 -10.707 -3.675 -8.947 475 HB3 GLU 57 3HB GLU 57 -9.893 -4.151 -10.434 476 HG2 GLU 57 2HG GLU 57 -10.824 -6.472 -10.117 477 HG3 GLU 57 3HG GLU 57 -11.748 -5.849 -8.751 478 H SER 58 H SER 58 -9.084 -3.283 -6.743 479 HA SER 58 HA SER 58 -7.474 -1.198 -7.831 480 HB2 SER 58 2HB SER 58 -8.340 -1.688 -4.948 481 HB3 SER 58 3HB SER 58 -7.697 -0.170 -5.584 482 HG SER 58 HG SER 58 -9.909 -1.292 -6.886 483 H ILE 59 H ILE 59 -6.932 -3.709 -5.392 484 HA ILE 59 HA ILE 59 -4.247 -3.224 -4.760 485 HB ILE 59 HB ILE 59 -5.785 -5.865 -4.871 486 HG12 ILE 59 2HG1 ILE 59 -5.187 -4.034 -2.497 487 HG13 ILE 59 3HG1 ILE 59 -6.749 -4.210 -3.283 488 HG21 ILE 59 1HG2 ILE 59 -3.385 -6.305 -4.943 489 HG22 ILE 59 2HG2 ILE 59 -4.052 -6.786 -3.387 490 HG23 ILE 59 3HG2 ILE 59 -3.135 -5.287 -3.522 491 HD11 ILE 59 1HD1 ILE 59 -6.705 -5.428 -1.213 492 HD12 ILE 59 2HD1 ILE 59 -5.289 -6.339 -1.731 493 HD13 ILE 59 3HD1 ILE 59 -6.833 -6.555 -2.561 494 H SER 60 H SER 60 -5.698 -5.329 -7.249 495 HA SER 60 HA SER 60 -3.415 -6.590 -8.204 496 HB2 SER 60 2HB SER 60 -5.705 -7.380 -8.671 497 HB3 SER 60 3HB SER 60 -5.999 -5.982 -9.708 498 HG SER 60 HG SER 60 -4.036 -7.997 -10.131 499 H GLU 61 H GLU 61 -5.048 -3.680 -9.531 500 HA GLU 61 HA GLU 61 -3.497 -3.333 -11.827 501 HB2 GLU 61 2HB GLU 61 -4.952 -1.228 -10.179 502 HB3 GLU 61 3HB GLU 61 -4.277 -0.933 -11.775 503 HG2 GLU 61 2HG GLU 61 -6.547 -2.804 -11.075 504 HG3 GLU 61 3HG GLU 61 -6.648 -1.294 -11.973 505 H ILE 62 H ILE 62 -3.080 -1.837 -8.601 506 HA ILE 62 HA ILE 62 -0.819 -0.287 -9.184 507 HB ILE 62 HB ILE 62 -1.959 -1.345 -6.591 508 HG12 ILE 62 2HG1 ILE 62 -1.999 1.137 -6.026 509 HG13 ILE 62 3HG1 ILE 62 -1.382 1.470 -7.638 510 HG21 ILE 62 1HG2 ILE 62 0.767 -0.016 -6.783 511 HG22 ILE 62 2HG2 ILE 62 0.403 -1.618 -6.133 512 HG23 ILE 62 3HG2 ILE 62 -0.154 -0.178 -5.290 513 HD11 ILE 62 1HD1 ILE 62 -4.040 0.246 -6.930 514 HD12 ILE 62 2HD1 ILE 62 -3.443 0.466 -8.575 515 HD13 ILE 62 3HD1 ILE 62 -3.743 1.870 -7.550 516 H ILE 63 H ILE 63 -1.026 -3.654 -7.914 517 HA ILE 63 HA ILE 63 1.743 -4.025 -7.470 518 HB ILE 63 HB ILE 63 -0.283 -6.179 -8.219 519 HG12 ILE 63 2HG1 ILE 63 0.584 -5.248 -5.442 520 HG13 ILE 63 3HG1 ILE 63 -0.947 -4.832 -6.208 521 HG21 ILE 63 1HG2 ILE 63 2.402 -6.436 -6.796 522 HG22 ILE 63 2HG2 ILE 63 2.042 -6.980 -8.435 523 HG23 ILE 63 3HG2 ILE 63 1.252 -7.749 -7.062 524 HD11 ILE 63 1HD1 ILE 63 -1.212 -6.627 -4.621 525 HD12 ILE 63 2HD1 ILE 63 -0.034 -7.607 -5.490 526 HD13 ILE 63 3HD1 ILE 63 -1.570 -7.184 -6.254 527 H LYS 64 H LYS 64 -0.259 -4.633 -10.354 528 HA LYS 64 HA LYS 64 1.616 -5.905 -12.010 529 HB2 LYS 64 2HB LYS 64 -0.699 -4.058 -12.738 530 HB3 LYS 64 3HB LYS 64 0.166 -5.067 -13.895 531 HG2 LYS 64 2HG LYS 64 -0.660 -7.094 -12.885 532 HG3 LYS 64 3HG LYS 64 -1.295 -6.213 -11.494 533 HD2 LYS 64 2HD LYS 64 -3.119 -6.848 -13.001 534 HD3 LYS 64 3HD LYS 64 -2.952 -5.093 -12.950 535 HE2 LYS 64 2HE LYS 64 -3.330 -5.759 -15.236 536 HE3 LYS 64 3HE LYS 64 -1.661 -5.214 -15.100 537 HZ1 LYS 64 1HZ LYS 64 -1.701 -7.187 -16.392 538 HZ2 LYS 64 2HZ LYS 64 -2.633 -8.010 -15.247 539 HZ3 LYS 64 3HZ LYS 64 -1.039 -7.598 -14.892 540 H GLN 65 H GLN 65 0.851 -2.445 -11.594 541 HA GLN 65 HA GLN 65 2.715 -1.330 -13.394 542 HB2 GLN 65 2HB GLN 65 1.778 -0.163 -10.735 543 HB3 GLN 65 3HB GLN 65 2.523 0.743 -12.042 544 HG2 GLN 65 2HG GLN 65 -0.183 -0.608 -12.116 545 HG3 GLN 65 3HG GLN 65 0.120 1.121 -11.956 546 HE21 GLN 65 1HE2 GLN 65 0.999 2.241 -13.762 547 HE22 GLN 65 2HE2 GLN 65 0.795 1.634 -15.364 548 H VAL 66 H VAL 66 3.014 -2.142 -9.956 549 HA VAL 66 HA VAL 66 5.547 -0.941 -9.512 550 HB VAL 66 HB VAL 66 4.034 -3.022 -7.858 551 HG11 VAL 66 1HG1 VAL 66 5.453 -2.313 -5.960 552 HG12 VAL 66 2HG1 VAL 66 6.409 -1.305 -7.042 553 HG13 VAL 66 3HG1 VAL 66 6.405 -3.057 -7.241 554 HG21 VAL 66 1HG2 VAL 66 3.320 -1.118 -6.477 555 HG22 VAL 66 2HG2 VAL 66 2.818 -0.883 -8.149 556 HG23 VAL 66 3HG2 VAL 66 4.205 0.001 -7.516 557 H LEU 67 H LEU 67 4.602 -4.292 -10.275 558 HA LEU 67 HA LEU 67 7.144 -5.492 -9.783 559 HB2 LEU 67 2HB LEU 67 4.897 -6.463 -11.587 560 HB3 LEU 67 3HB LEU 67 6.262 -7.433 -11.059 561 HG LEU 67 HG LEU 67 4.078 -6.329 -9.253 562 HD11 LEU 67 1HD1 LEU 67 3.339 -8.657 -9.032 563 HD12 LEU 67 2HD1 LEU 67 4.556 -9.165 -10.205 564 HD13 LEU 67 3HD1 LEU 67 3.240 -8.097 -10.700 565 HD21 LEU 67 1HD2 LEU 67 5.051 -7.720 -7.480 566 HD22 LEU 67 2HD2 LEU 67 6.179 -6.481 -8.023 567 HD23 LEU 67 3HD2 LEU 67 6.392 -8.155 -8.543 568 H ASP 68 H ASP 68 5.597 -4.091 -12.618 569 HA ASP 68 HA ASP 68 7.665 -4.800 -14.492 570 HB2 ASP 68 2HB ASP 68 5.299 -4.423 -15.175 571 HB3 ASP 68 3HB ASP 68 5.436 -2.722 -14.731 572 H SER 69 H SER 69 6.901 -2.019 -12.486 573 HA SER 69 HA SER 69 8.907 -0.262 -13.615 574 HB2 SER 69 2HB SER 69 7.112 0.007 -11.165 575 HB3 SER 69 3HB SER 69 8.170 1.284 -11.772 576 HG SER 69 HG SER 69 6.083 0.045 -13.258 577 H GLY 70 H GLY 70 8.889 -2.739 -11.221 578 HA2 GLY 70 2HA GLY 70 10.536 -3.604 -9.883 579 HA3 GLY 70 3HA GLY 70 11.676 -2.541 -10.689 580 H ALA 71 H ALA 71 8.916 -2.219 -8.461 581 HA ALA 71 HA ALA 71 10.577 -0.576 -6.622 582 HB1 ALA 71 1HB ALA 71 9.048 0.917 -7.844 583 HB2 ALA 71 2HB ALA 71 8.560 0.810 -6.153 584 HB3 ALA 71 3HB ALA 71 7.668 -0.080 -7.389 585 H LYS 72 H LYS 72 9.426 -0.494 -4.378 586 HA LYS 72 HA LYS 72 8.684 -3.240 -3.608 587 HB2 LYS 72 2HB LYS 72 9.495 -0.804 -1.968 588 HB3 LYS 72 3HB LYS 72 8.844 -2.257 -1.224 589 HG2 LYS 72 2HG LYS 72 11.215 -2.369 -1.022 590 HG3 LYS 72 3HG LYS 72 10.742 -3.560 -2.228 591 HD2 LYS 72 2HD LYS 72 12.758 -2.419 -2.965 592 HD3 LYS 72 3HD LYS 72 11.421 -1.958 -4.021 593 HE2 LYS 72 2HE LYS 72 11.175 0.165 -2.743 594 HE3 LYS 72 3HE LYS 72 12.550 -0.302 -1.735 595 HZ1 LYS 72 1HZ LYS 72 13.212 1.200 -3.500 596 HZ2 LYS 72 2HZ LYS 72 12.626 0.128 -4.670 597 HZ3 LYS 72 3HZ LYS 72 13.943 -0.315 -3.708 598 H VAL 73 H VAL 73 6.712 -3.768 -2.677 599 HA VAL 73 HA VAL 73 4.688 -1.699 -2.266 600 HB VAL 73 HB VAL 73 4.287 -2.278 -4.573 601 HG11 VAL 73 1HG1 VAL 73 4.231 -5.195 -3.759 602 HG12 VAL 73 2HG1 VAL 73 5.441 -4.395 -4.759 603 HG13 VAL 73 3HG1 VAL 73 3.790 -4.579 -5.354 604 HG21 VAL 73 1HG2 VAL 73 2.277 -1.925 -3.206 605 HG22 VAL 73 2HG2 VAL 73 2.193 -3.651 -2.844 606 HG23 VAL 73 3HG2 VAL 73 1.953 -3.083 -4.498 607 H LEU 74 H LEU 74 3.507 -2.073 -0.526 608 HA LEU 74 HA LEU 74 3.338 -4.779 0.656 609 HB2 LEU 74 2HB LEU 74 4.509 -3.282 2.168 610 HB3 LEU 74 3HB LEU 74 3.287 -2.037 1.970 611 HG LEU 74 HG LEU 74 1.635 -3.454 3.163 612 HD11 LEU 74 1HD1 LEU 74 3.898 -5.417 3.585 613 HD12 LEU 74 2HD1 LEU 74 2.447 -5.672 2.611 614 HD13 LEU 74 3HD1 LEU 74 2.310 -5.483 4.355 615 HD21 LEU 74 1HD2 LEU 74 2.942 -1.820 4.438 616 HD22 LEU 74 2HD2 LEU 74 4.180 -3.035 4.757 617 HD23 LEU 74 3HD2 LEU 74 2.555 -3.233 5.419 618 H ILE 75 H ILE 75 1.374 -5.631 0.551 619 HA ILE 75 HA ILE 75 -0.988 -3.941 0.053 620 HB ILE 75 HB ILE 75 -0.482 -6.896 -0.519 621 HG12 ILE 75 2HG1 ILE 75 0.595 -5.455 -2.151 622 HG13 ILE 75 3HG1 ILE 75 -0.810 -6.187 -2.908 623 HG21 ILE 75 1HG2 ILE 75 -2.813 -6.653 0.184 624 HG22 ILE 75 2HG2 ILE 75 -2.732 -6.972 -1.547 625 HG23 ILE 75 3HG2 ILE 75 -3.056 -5.335 -0.967 626 HD11 ILE 75 1HD1 ILE 75 -0.559 -3.873 -3.570 627 HD12 ILE 75 2HD1 ILE 75 -0.610 -3.350 -1.887 628 HD13 ILE 75 3HD1 ILE 75 -2.039 -4.072 -2.633 629 H LEU 76 H LEU 76 -2.324 -3.688 1.625 630 HA LEU 76 HA LEU 76 -2.541 -5.607 3.857 631 HB2 LEU 76 2HB LEU 76 -2.846 -2.565 3.927 632 HB3 LEU 76 3HB LEU 76 -3.068 -3.643 5.299 633 HG LEU 76 HG LEU 76 -0.429 -3.256 3.823 634 HD11 LEU 76 1HD1 LEU 76 0.355 -2.008 5.770 635 HD12 LEU 76 2HD1 LEU 76 -1.239 -2.132 6.517 636 HD13 LEU 76 3HD1 LEU 76 -1.031 -1.212 5.027 637 HD21 LEU 76 1HD2 LEU 76 -1.032 -4.780 6.375 638 HD22 LEU 76 2HD2 LEU 76 0.572 -4.508 5.688 639 HD23 LEU 76 3HD2 LEU 76 -0.605 -5.478 4.809 640 H SER 77 H SER 77 -4.564 -6.366 4.184 641 HA SER 77 HA SER 77 -6.937 -4.878 3.450 642 HB2 SER 77 2HB SER 77 -6.402 -6.024 1.287 643 HB3 SER 77 3HB SER 77 -6.408 -7.584 2.112 644 HG SER 77 HG SER 77 -8.549 -5.857 1.514 645 H SER 78 H SER 78 -8.686 -5.539 4.612 646 HA SER 78 HA SER 78 -8.314 -6.934 7.035 647 HB2 SER 78 2HB SER 78 -10.761 -6.610 7.315 648 HB3 SER 78 3HB SER 78 -9.989 -5.138 6.729 649 HG SER 78 HG SER 78 -10.601 -5.953 4.566 650 H ASP 79 H ASP 79 -9.399 -7.898 3.866 651 HA ASP 79 HA ASP 79 -10.308 -10.535 4.757 652 HB2 ASP 79 2HB ASP 79 -11.592 -9.177 3.040 653 HB3 ASP 79 3HB ASP 79 -10.249 -9.418 1.924 654 H GLU 80 H GLU 80 -8.802 -11.964 5.069 655 HA GLU 80 HA GLU 80 -6.132 -11.782 3.996 656 HB2 GLU 80 2HB GLU 80 -5.730 -13.866 5.381 657 HB3 GLU 80 3HB GLU 80 -6.268 -12.450 6.275 658 HG2 GLU 80 2HG GLU 80 -8.536 -13.345 6.424 659 HG3 GLU 80 3HG GLU 80 -8.081 -14.725 5.424 660 H ASN 81 H ASN 81 -9.007 -13.298 2.889 661 HA ASN 81 HA ASN 81 -7.792 -15.475 1.430 662 HB2 ASN 81 2HB ASN 81 -10.429 -14.064 0.801 663 HB3 ASN 81 3HB ASN 81 -9.931 -15.656 0.242 664 HD21 ASN 81 1HD2 ASN 81 -12.245 -14.620 1.882 665 HD22 ASN 81 2HD2 ASN 81 -12.284 -15.649 3.265 666 H ILE 82 H ILE 82 -8.660 -12.092 0.797 667 HA ILE 82 HA ILE 82 -7.866 -11.964 -1.941 668 HB ILE 82 HB ILE 82 -7.989 -9.700 0.118 669 HG12 ILE 82 2HG1 ILE 82 -10.053 -10.503 -1.993 670 HG13 ILE 82 3HG1 ILE 82 -10.191 -10.834 -0.270 671 HG21 ILE 82 1HG2 ILE 82 -8.048 -8.156 -1.821 672 HG22 ILE 82 2HG2 ILE 82 -7.830 -9.517 -2.922 673 HG23 ILE 82 3HG2 ILE 82 -6.549 -9.086 -1.789 674 HD11 ILE 82 1HD1 ILE 82 -10.147 -8.108 -1.555 675 HD12 ILE 82 2HD1 ILE 82 -10.239 -8.424 0.180 676 HD13 ILE 82 3HD1 ILE 82 -11.546 -8.943 -0.881 677 H ILE 83 H ILE 83 -6.246 -11.109 1.151 678 HA ILE 83 HA ILE 83 -3.743 -10.356 0.210 679 HB ILE 83 HB ILE 83 -4.516 -11.812 2.774 680 HG12 ILE 83 2HG1 ILE 83 -5.391 -9.507 2.498 681 HG13 ILE 83 3HG1 ILE 83 -4.247 -9.598 3.829 682 HG21 ILE 83 1HG2 ILE 83 -2.155 -12.355 2.405 683 HG22 ILE 83 2HG2 ILE 83 -2.309 -11.213 3.738 684 HG23 ILE 83 3HG2 ILE 83 -1.776 -10.651 2.153 685 HD11 ILE 83 1HD1 ILE 83 -3.679 -8.487 1.074 686 HD12 ILE 83 2HD1 ILE 83 -2.514 -8.589 2.398 687 HD13 ILE 83 3HD1 ILE 83 -3.939 -7.563 2.552 688 H GLU 84 H GLU 84 -4.931 -13.666 0.886 689 HA GLU 84 HA GLU 84 -2.502 -15.001 0.248 690 HB2 GLU 84 2HB GLU 84 -4.225 -16.024 1.677 691 HB3 GLU 84 3HB GLU 84 -5.346 -16.092 0.317 692 HG2 GLU 84 2HG GLU 84 -3.891 -17.676 -0.847 693 HG3 GLU 84 3HG GLU 84 -2.684 -17.550 0.429 694 H SER 85 H SER 85 -5.393 -14.198 -1.709 695 HA SER 85 HA SER 85 -4.715 -15.554 -4.077 696 HB2 SER 85 2HB SER 85 -6.216 -12.911 -3.802 697 HB3 SER 85 3HB SER 85 -6.239 -13.968 -5.220 698 HG SER 85 HG SER 85 -7.673 -14.126 -2.913 699 H ILE 86 H ILE 86 -3.811 -12.416 -2.816 700 HA ILE 86 HA ILE 86 -2.349 -11.469 -5.067 701 HB ILE 86 HB ILE 86 -2.399 -10.626 -2.137 702 HG12 ILE 86 2HG1 ILE 86 -4.505 -10.215 -3.292 703 HG13 ILE 86 3HG1 ILE 86 -3.705 -8.675 -3.018 704 HG21 ILE 86 1HG2 ILE 86 -0.975 -9.205 -4.408 705 HG22 ILE 86 2HG2 ILE 86 -0.228 -9.943 -2.990 706 HG23 ILE 86 3HG2 ILE 86 -1.262 -8.526 -2.805 707 HD11 ILE 86 1HD1 ILE 86 -3.857 -10.185 -5.630 708 HD12 ILE 86 2HD1 ILE 86 -2.973 -8.678 -5.382 709 HD13 ILE 86 3HD1 ILE 86 -4.724 -8.714 -5.194 710 H ARG 87 H ARG 87 -1.489 -13.376 -2.211 711 HA ARG 87 HA ARG 87 1.339 -13.251 -2.517 712 HB2 ARG 87 2HB ARG 87 -0.426 -15.304 -1.122 713 HB3 ARG 87 3HB ARG 87 1.335 -15.292 -1.024 714 HG2 ARG 87 2HG ARG 87 1.220 -12.997 -0.028 715 HG3 ARG 87 3HG ARG 87 -0.538 -13.129 -0.024 716 HD2 ARG 87 2HD ARG 87 0.454 -13.642 2.190 717 HD3 ARG 87 3HD ARG 87 -0.426 -15.020 1.524 718 HE ARG 87 HE ARG 87 1.526 -16.201 1.400 719 HH11 ARG 87 1HH1 ARG 87 2.390 -12.820 1.939 720 HH12 ARG 87 2HH1 ARG 87 4.069 -13.165 2.184 721 HH21 ARG 87 1HH2 ARG 87 3.735 -16.615 1.663 722 HH22 ARG 87 2HH2 ARG 87 4.836 -15.320 2.027 723 H LYS 88 H LYS 88 -1.082 -15.624 -3.580 724 HA LYS 88 HA LYS 88 0.854 -17.484 -4.595 725 HB2 LYS 88 2HB LYS 88 -1.090 -18.804 -5.321 726 HB3 LYS 88 3HB LYS 88 -1.251 -18.269 -3.657 727 HG2 LYS 88 2HG LYS 88 -2.730 -16.384 -4.533 728 HG3 LYS 88 3HG LYS 88 -2.729 -17.223 -6.083 729 HD2 LYS 88 2HD LYS 88 -3.764 -18.321 -3.438 730 HD3 LYS 88 3HD LYS 88 -4.746 -17.788 -4.803 731 HE2 LYS 88 2HE LYS 88 -2.850 -20.157 -4.781 732 HE3 LYS 88 3HE LYS 88 -4.610 -20.232 -4.748 733 HZ1 LYS 88 1HZ LYS 88 -4.632 -19.169 -6.937 734 HZ2 LYS 88 2HZ LYS 88 -3.802 -20.642 -6.954 735 HZ3 LYS 88 3HZ LYS 88 -2.939 -19.189 -6.971 736 H GLN 89 H GLN 89 -1.189 -14.974 -6.077 737 HA GLN 89 HA GLN 89 -0.353 -15.591 -8.780 738 HB2 GLN 89 2HB GLN 89 -1.749 -13.132 -7.649 739 HB3 GLN 89 3HB GLN 89 -1.477 -13.431 -9.363 740 HG2 GLN 89 2HG GLN 89 -2.919 -15.427 -9.263 741 HG3 GLN 89 3HG GLN 89 -3.158 -15.168 -7.534 742 HE21 GLN 89 1HE2 GLN 89 -5.389 -14.946 -7.736 743 HE22 GLN 89 2HE2 GLN 89 -6.134 -13.573 -8.472 744 H TYR 90 H TYR 90 0.673 -13.326 -6.244 745 HA TYR 90 HA TYR 90 2.915 -12.392 -7.956 746 HB2 TYR 90 2HB TYR 90 1.558 -10.662 -5.850 747 HB3 TYR 90 3HB TYR 90 2.704 -10.155 -7.081 748 HD1 TYR 90 HD1 TYR 90 1.904 -10.151 -9.534 749 HD2 TYR 90 HD2 TYR 90 -0.809 -10.565 -6.261 750 HE1 TYR 90 HE1 TYR 90 0.051 -9.465 -10.981 751 HE2 TYR 90 HE2 TYR 90 -2.669 -9.890 -7.720 752 HH TYR 90 HH TYR 90 -2.415 -9.757 -11.091 753 HA PRO 91 HA PRO 91 4.902 -14.243 -4.213 754 HB2 PRO 91 2HB PRO 91 7.378 -14.628 -5.358 755 HB3 PRO 91 3HB PRO 91 6.017 -15.748 -5.583 756 HG2 PRO 91 2HG PRO 91 6.970 -13.558 -7.408 757 HG3 PRO 91 3HG PRO 91 6.513 -15.231 -7.806 758 HD2 PRO 91 2HD PRO 91 4.808 -13.171 -8.194 759 HD3 PRO 91 3HD PRO 91 4.227 -14.775 -7.692 760 H LYS 92 H LYS 92 6.250 -11.605 -6.242 761 HA LYS 92 HA LYS 92 8.340 -10.960 -4.370 762 HB2 LYS 92 2HB LYS 92 7.447 -9.497 -6.882 763 HB3 LYS 92 3HB LYS 92 8.880 -9.090 -5.944 764 HG2 LYS 92 2HG LYS 92 9.709 -11.466 -6.397 765 HG3 LYS 92 3HG LYS 92 8.380 -11.619 -7.544 766 HD2 LYS 92 2HD LYS 92 10.629 -9.568 -7.686 767 HD3 LYS 92 3HD LYS 92 10.493 -11.015 -8.683 768 HE2 LYS 92 2HE LYS 92 8.566 -8.669 -8.689 769 HE3 LYS 92 3HE LYS 92 9.781 -9.008 -9.917 770 HZ1 LYS 92 1HZ LYS 92 7.479 -10.763 -9.257 771 HZ2 LYS 92 2HZ LYS 92 8.641 -11.051 -10.451 772 HZ3 LYS 92 3HZ LYS 92 7.588 -9.740 -10.599 773 H VAL 93 H VAL 93 5.063 -9.952 -4.577 774 HA VAL 93 HA VAL 93 5.387 -7.360 -3.346 775 HB VAL 93 HB VAL 93 3.406 -7.811 -4.730 776 HG11 VAL 93 1HG1 VAL 93 2.564 -9.831 -2.632 777 HG12 VAL 93 2HG1 VAL 93 3.108 -10.197 -4.271 778 HG13 VAL 93 3HG1 VAL 93 1.602 -9.314 -4.020 779 HG21 VAL 93 1HG2 VAL 93 3.182 -6.124 -2.921 780 HG22 VAL 93 2HG2 VAL 93 2.547 -7.367 -1.844 781 HG23 VAL 93 3HG2 VAL 93 1.647 -6.906 -3.291 782 H GLU 94 H GLU 94 5.326 -6.837 -1.172 783 HA GLU 94 HA GLU 94 5.274 -8.932 0.853 784 HB2 GLU 94 2HB GLU 94 5.514 -5.899 1.018 785 HB3 GLU 94 3HB GLU 94 5.482 -6.940 2.439 786 HG2 GLU 94 2HG GLU 94 7.545 -7.060 0.225 787 HG3 GLU 94 3HG GLU 94 7.777 -6.294 1.797 788 H THR 95 H THR 95 3.551 -9.368 2.221 789 HA THR 95 HA THR 95 1.024 -7.899 1.836 790 HB THR 95 HB THR 95 -0.090 -10.260 1.682 791 HG1 THR 95 HG1 THR 95 2.287 -11.131 0.478 792 HG21 THR 95 1HG2 THR 95 1.542 -9.281 -0.688 793 HG22 THR 95 2HG2 THR 95 -0.080 -8.741 -0.252 794 HG23 THR 95 3HG2 THR 95 0.182 -10.407 -0.767 795 H ARG 96 H ARG 96 -0.378 -8.001 3.563 796 HA ARG 96 HA ARG 96 -0.126 -9.917 5.693 797 HB2 ARG 96 2HB ARG 96 1.609 -8.316 6.435 798 HB3 ARG 96 3HB ARG 96 0.483 -6.974 6.277 799 HG2 ARG 96 2HG ARG 96 -0.939 -8.064 8.058 800 HG3 ARG 96 3HG ARG 96 0.344 -9.250 8.278 801 HD2 ARG 96 2HD ARG 96 1.885 -7.514 9.007 802 HD3 ARG 96 3HD ARG 96 0.692 -6.255 8.647 803 HE ARG 96 HE ARG 96 -0.096 -8.316 10.566 804 HH11 ARG 96 1HH1 ARG 96 1.117 -5.038 10.137 805 HH12 ARG 96 2HH1 ARG 96 0.682 -4.537 11.739 806 HH21 ARG 96 1HH2 ARG 96 -0.678 -7.630 12.649 807 HH22 ARG 96 2HH2 ARG 96 -0.335 -6.005 13.150 808 H ARG 97 H ARG 97 -2.135 -10.211 6.623 809 HA ARG 97 HA ARG 97 -4.409 -8.691 5.808 810 HB2 ARG 97 2HB ARG 97 -4.583 -11.066 6.625 811 HB3 ARG 97 3HB ARG 97 -4.170 -10.515 8.246 812 HG2 ARG 97 2HG ARG 97 -6.279 -8.872 7.805 813 HG3 ARG 97 3HG ARG 97 -6.733 -10.176 6.710 814 HD2 ARG 97 2HD ARG 97 -7.786 -10.522 8.854 815 HD3 ARG 97 3HD ARG 97 -6.561 -11.776 8.621 816 HE ARG 97 HE ARG 97 -5.240 -9.815 9.983 817 HH11 ARG 97 1HH1 ARG 97 -8.199 -11.624 10.664 818 HH12 ARG 97 2HH1 ARG 97 -7.995 -11.508 12.385 819 HH21 ARG 97 1HH2 ARG 97 -5.010 -9.659 12.200 820 HH22 ARG 97 2HH2 ARG 97 -6.182 -10.390 13.259 821 H ALA 98 H ALA 98 -5.232 -6.870 6.699 822 HA ALA 98 HA ALA 98 -4.535 -6.033 9.427 823 HB1 ALA 98 1HB ALA 98 -2.855 -4.940 7.982 824 HB2 ALA 98 2HB ALA 98 -3.966 -3.753 8.665 825 HB3 ALA 98 3HB ALA 98 -4.140 -4.258 6.982 826 H GLN 99 H GLN 99 -6.546 -6.073 10.236 827 HA GLN 99 HA GLN 99 -8.874 -5.459 8.580 828 HB2 GLN 99 2HB GLN 99 -8.687 -6.494 11.436 829 HB3 GLN 99 3HB GLN 99 -10.200 -6.225 10.572 830 HG2 GLN 99 2HG GLN 99 -9.393 -7.863 8.826 831 HG3 GLN 99 3HG GLN 99 -8.040 -8.238 9.891 832 HE21 GLN 99 1HE2 GLN 99 -10.234 -9.917 8.896 833 HE22 GLN 99 2HE2 GLN 99 -10.981 -10.589 10.300 834 H ASP 100 H ASP 100 -7.550 -4.383 11.687 835 HA ASP 100 HA ASP 100 -9.182 -1.956 11.594 836 HB2 ASP 100 2HB ASP 100 -8.816 -3.394 13.720 837 HB3 ASP 100 3HB ASP 100 -7.194 -2.704 13.784 838 H LYS 101 H LYS 101 -8.262 0.108 11.706 839 HA LYS 101 HA LYS 101 -6.106 0.669 9.995 840 HB2 LYS 101 2HB LYS 101 -6.434 3.061 10.876 841 HB3 LYS 101 3HB LYS 101 -7.814 2.281 10.129 842 HG2 LYS 101 2HG LYS 101 -8.614 1.680 12.471 843 HG3 LYS 101 3HG LYS 101 -7.366 2.770 13.078 844 HD2 LYS 101 2HD LYS 101 -8.401 4.656 11.871 845 HD3 LYS 101 3HD LYS 101 -9.602 3.572 11.165 846 HE2 LYS 101 2HE LYS 101 -10.521 3.116 13.404 847 HE3 LYS 101 3HE LYS 101 -9.307 4.170 14.131 848 HZ1 LYS 101 1HZ LYS 101 -10.256 6.043 12.949 849 HZ2 LYS 101 2HZ LYS 101 -11.453 5.272 13.861 850 HZ3 LYS 101 3HZ LYS 101 -11.386 5.038 12.191 851 H GLU 102 H GLU 102 -6.139 0.047 13.415 852 HA GLU 102 HA GLU 102 -3.604 0.999 14.190 853 HB2 GLU 102 2HB GLU 102 -5.166 -1.452 15.069 854 HB3 GLU 102 3HB GLU 102 -3.680 -0.933 15.852 855 HG2 GLU 102 2HG GLU 102 -6.158 0.783 15.646 856 HG3 GLU 102 3HG GLU 102 -5.813 -0.272 17.011 857 H GLU 103 H GLU 103 -4.549 -2.229 12.968 858 HA GLU 103 HA GLU 103 -2.010 -3.420 12.820 859 HB2 GLU 103 2HB GLU 103 -4.477 -3.977 11.120 860 HB3 GLU 103 3HB GLU 103 -3.077 -5.036 11.237 861 HG2 GLU 103 2HG GLU 103 -3.560 -5.465 13.594 862 HG3 GLU 103 3HG GLU 103 -4.917 -4.338 13.539 863 H VAL 104 H VAL 104 -3.729 -1.355 10.552 864 HA VAL 104 HA VAL 104 -2.157 -1.893 8.245 865 HB VAL 104 HB VAL 104 -3.803 0.609 8.842 866 HG11 VAL 104 1HG1 VAL 104 -3.917 0.849 6.375 867 HG12 VAL 104 2HG1 VAL 104 -2.837 -0.527 6.187 868 HG13 VAL 104 3HG1 VAL 104 -2.261 0.948 6.968 869 HG21 VAL 104 1HG2 VAL 104 -5.195 -1.406 9.057 870 HG22 VAL 104 2HG2 VAL 104 -4.682 -1.957 7.461 871 HG23 VAL 104 3HG2 VAL 104 -5.645 -0.488 7.620 872 H LYS 105 H LYS 105 -2.217 0.973 10.432 873 HA LYS 105 HA LYS 105 -0.018 2.271 9.179 874 HB2 LYS 105 2HB LYS 105 -0.137 3.887 10.996 875 HB3 LYS 105 3HB LYS 105 -1.763 3.469 10.475 876 HG2 LYS 105 2HG LYS 105 -1.922 1.899 12.435 877 HG3 LYS 105 3HG LYS 105 -0.354 2.504 12.978 878 HD2 LYS 105 2HD LYS 105 -1.345 4.820 13.080 879 HD3 LYS 105 3HD LYS 105 -2.913 4.117 12.670 880 HE2 LYS 105 2HE LYS 105 -2.846 2.758 14.727 881 HE3 LYS 105 3HE LYS 105 -1.280 3.460 15.141 882 HZ1 LYS 105 1HZ LYS 105 -3.175 4.509 16.283 883 HZ2 LYS 105 2HZ LYS 105 -3.771 5.031 14.791 884 HZ3 LYS 105 3HZ LYS 105 -2.287 5.608 15.351 885 H ASP 106 H ASP 106 -0.229 0.110 11.976 886 HA ASP 106 HA ASP 106 2.351 -0.058 12.895 887 HB2 ASP 106 2HB ASP 106 0.472 -1.284 13.867 888 HB3 ASP 106 3HB ASP 106 0.272 -2.238 12.405 889 H ALA 107 H ALA 107 0.947 -1.992 10.215 890 HA ALA 107 HA ALA 107 3.307 -3.393 9.531 891 HB1 ALA 107 1HB ALA 107 0.848 -2.865 7.833 892 HB2 ALA 107 2HB ALA 107 1.063 -4.208 8.955 893 HB3 ALA 107 3HB ALA 107 2.075 -4.094 7.514 894 H VAL 108 H VAL 108 1.940 -0.355 8.438 895 HA VAL 108 HA VAL 108 3.566 0.217 6.222 896 HB VAL 108 HB VAL 108 2.266 2.096 8.251 897 HG11 VAL 108 1HG1 VAL 108 3.536 2.886 5.600 898 HG12 VAL 108 2HG1 VAL 108 4.154 3.285 7.202 899 HG13 VAL 108 3HG1 VAL 108 2.614 3.948 6.667 900 HG21 VAL 108 1HG2 VAL 108 0.576 2.467 6.495 901 HG22 VAL 108 2HG2 VAL 108 0.680 0.759 6.919 902 HG23 VAL 108 3HG2 VAL 108 1.419 1.342 5.427 903 H GLU 109 H GLU 109 3.982 1.064 9.682 904 HA GLU 109 HA GLU 109 6.423 2.424 9.462 905 HB2 GLU 109 2HB GLU 109 4.942 2.509 11.475 906 HB3 GLU 109 3HB GLU 109 5.397 0.855 11.867 907 HG2 GLU 109 2HG GLU 109 7.797 1.646 12.032 908 HG3 GLU 109 3HG GLU 109 7.202 3.295 11.851 909 H GLU 110 H GLU 110 5.740 -1.012 10.098 910 HA GLU 110 HA GLU 110 8.369 -1.905 10.606 911 HB2 GLU 110 2HB GLU 110 6.017 -3.460 9.448 912 HB3 GLU 110 3HB GLU 110 7.473 -4.186 10.117 913 HG2 GLU 110 2HG GLU 110 5.449 -2.528 11.648 914 HG3 GLU 110 3HG GLU 110 5.619 -4.280 11.710 915 H PHE 111 H PHE 111 6.552 -1.595 7.605 916 HA PHE 111 HA PHE 111 8.394 -2.851 5.825 917 HB2 PHE 111 2HB PHE 111 5.925 -2.406 5.430 918 HB3 PHE 111 3HB PHE 111 6.303 -0.703 5.232 919 HD1 PHE 111 HD1 PHE 111 7.151 -4.075 3.799 920 HD2 PHE 111 HD2 PHE 111 6.689 0.105 3.030 921 HE1 PHE 111 HE1 PHE 111 7.402 -4.474 1.393 922 HE2 PHE 111 HE2 PHE 111 6.953 -0.314 0.620 923 HZ PHE 111 HZ PHE 111 7.307 -2.605 -0.202 924 H LEU 112 H LEU 112 8.007 0.392 7.090 925 HA LEU 112 HA LEU 112 9.973 1.665 5.387 926 HB2 LEU 112 2HB LEU 112 8.580 2.677 7.893 927 HB3 LEU 112 3HB LEU 112 9.515 3.664 6.775 928 HG LEU 112 HG LEU 112 6.931 2.213 6.102 929 HD11 LEU 112 1HD1 LEU 112 5.898 4.419 5.978 930 HD12 LEU 112 2HD1 LEU 112 7.408 5.170 6.506 931 HD13 LEU 112 3HD1 LEU 112 6.528 4.092 7.592 932 HD21 LEU 112 1HD2 LEU 112 8.368 2.327 4.158 933 HD22 LEU 112 2HD2 LEU 112 8.589 4.064 4.386 934 HD23 LEU 112 3HD2 LEU 112 6.998 3.419 3.975 935 H LYS 113 H LYS 113 10.001 0.187 8.608 936 HA LYS 113 HA LYS 113 12.378 1.289 9.610 937 HB2 LYS 113 2HB LYS 113 11.070 -1.413 10.124 938 HB3 LYS 113 3HB LYS 113 12.500 -0.864 10.996 939 HG2 LYS 113 2HG LYS 113 11.191 1.098 11.826 940 HG3 LYS 113 3HG LYS 113 9.761 0.433 11.032 941 HD2 LYS 113 2HD LYS 113 9.894 -1.589 12.434 942 HD3 LYS 113 3HD LYS 113 11.359 -0.974 13.209 943 HE2 LYS 113 2HE LYS 113 8.623 0.335 13.330 944 HE3 LYS 113 3HE LYS 113 9.351 -0.639 14.607 945 HZ1 LYS 113 1HZ LYS 113 9.543 1.821 14.873 946 HZ2 LYS 113 2HZ LYS 113 10.599 1.833 13.553 947 HZ3 LYS 113 3HZ LYS 113 11.008 0.980 14.955 948 H GLU 114 H GLU 114 11.815 -1.649 7.682 949 HA GLU 114 HA GLU 114 14.677 -2.082 7.273 950 HB2 GLU 114 2HB GLU 114 12.308 -3.536 6.022 951 HB3 GLU 114 3HB GLU 114 13.993 -4.045 5.976 952 HG2 GLU 114 2HG GLU 114 13.874 -4.124 8.551 953 HG3 GLU 114 3HG GLU 114 12.126 -4.005 8.356 954 H GLY 115 H GLY 115 12.048 -0.458 5.728 955 HA2 GLY 115 2HA GLY 115 11.920 0.934 3.925 956 HA3 GLY 115 3HA GLY 115 13.676 0.942 3.904 957 H GLY 116 H GLY 116 11.573 -1.875 3.497 958 HA2 GLY 116 2HA GLY 116 11.793 -2.047 0.655 959 HA3 GLY 116 3HA GLY 116 13.028 -3.036 1.434 960 H SER 117 H SER 117 11.639 -3.965 3.663 961 HA SER 117 HA SER 117 9.303 -5.409 2.634 962 HB2 SER 117 2HB SER 117 10.325 -7.626 3.178 963 HB3 SER 117 3HB SER 117 11.211 -6.791 1.903 964 HG SER 117 HG SER 117 11.919 -6.959 4.654 965 H LEU 118 H LEU 118 8.438 -6.922 4.349 966 HA LEU 118 HA LEU 118 8.233 -5.650 6.938 967 HB2 LEU 118 2HB LEU 118 7.154 -8.313 5.930 968 HB3 LEU 118 3HB LEU 118 6.712 -7.560 7.456 969 HG LEU 118 HG LEU 118 6.110 -6.401 4.705 970 HD11 LEU 118 1HD1 LEU 118 3.779 -7.030 5.122 971 HD12 LEU 118 2HD1 LEU 118 4.240 -7.817 6.633 972 HD13 LEU 118 3HD1 LEU 118 4.828 -8.444 5.090 973 HD21 LEU 118 1HD2 LEU 118 5.227 -5.455 7.458 974 HD22 LEU 118 2HD2 LEU 118 4.658 -4.809 5.917 975 HD23 LEU 118 3HD2 LEU 118 6.349 -4.631 6.369 976 H GLU 119 H GLU 119 8.666 -6.789 8.931 977 HA GLU 119 HA GLU 119 11.265 -7.874 9.127 978 HB2 GLU 119 2HB GLU 119 10.214 -6.504 10.879 979 HB3 GLU 119 3HB GLU 119 8.978 -7.730 11.132 980 HG2 GLU 119 2HG GLU 119 10.774 -9.307 11.895 981 HG3 GLU 119 3HG GLU 119 11.938 -7.989 11.756 982 H HIS 120 H HIS 120 11.950 -9.938 8.933 983 HA HIS 120 HA HIS 120 10.138 -12.173 8.553 984 HB2 HIS 120 2HB HIS 120 12.214 -11.897 7.196 985 HB3 HIS 120 3HB HIS 120 13.195 -12.082 8.640 986 HD1 HIS 120 HD1 HIS 120 10.822 -14.104 6.452 987 HD2 HIS 120 HD2 HIS 120 13.880 -14.680 9.206 988 HE1 HIS 120 HE1 HIS 120 11.277 -16.575 6.454 989 HE2 HIS 120 HE2 HIS 120 13.180 -16.885 8.064 990 H HIS 121 H HIS 121 9.439 -11.428 10.892 991 HA HIS 121 HA HIS 121 10.243 -13.542 12.727 992 HB2 HIS 121 2HB HIS 121 10.469 -10.585 13.460 993 HB3 HIS 121 3HB HIS 121 10.308 -11.841 14.679 994 HD1 HIS 121 HD1 HIS 121 12.333 -13.507 14.922 995 HD2 HIS 121 HD2 HIS 121 13.044 -10.247 12.444 996 HE1 HIS 121 HE1 HIS 121 14.811 -13.454 14.569 997 HE2 HIS 121 HE2 HIS 121 15.209 -11.554 12.982 998 H HIS 122 H HIS 122 8.267 -10.613 12.244 999 HA HIS 122 HA HIS 122 6.041 -11.750 13.782 1000 HB2 HIS 122 2HB HIS 122 6.887 -9.332 14.051 1001 HB3 HIS 122 3HB HIS 122 6.181 -8.997 12.476 1002 HD1 HIS 122 HD1 HIS 122 5.255 -9.750 16.032 1003 HD2 HIS 122 HD2 HIS 122 3.371 -8.688 12.481 1004 HE1 HIS 122 HE1 HIS 122 2.877 -9.242 16.649 1005 HE2 HIS 122 HE2 HIS 122 1.720 -8.826 14.462 1006 H HIS 123 H HIS 123 6.955 -12.510 10.853 1007 HA HIS 123 HA HIS 123 4.856 -11.787 9.089 1008 HB2 HIS 123 2HB HIS 123 7.027 -12.650 8.265 1009 HB3 HIS 123 3HB HIS 123 6.667 -14.236 8.941 1010 HD1 HIS 123 HD1 HIS 123 5.636 -15.833 7.301 1011 HD2 HIS 123 HD2 HIS 123 4.913 -11.879 6.257 1012 HE1 HIS 123 HE1 HIS 123 4.326 -15.928 5.163 1013 HE2 HIS 123 HE2 HIS 123 3.689 -13.545 4.708 1014 H HIS 124 H HIS 124 5.012 -14.176 11.584 1015 HA HIS 124 HA HIS 124 2.964 -15.936 10.934 1016 HB2 HIS 124 2HB HIS 124 4.366 -16.258 12.903 1017 HB3 HIS 124 3HB HIS 124 3.764 -14.776 13.631 1018 HD1 HIS 124 HD1 HIS 124 2.686 -18.300 12.834 1019 HD2 HIS 124 HD2 HIS 124 1.424 -15.057 15.103 1020 HE1 HIS 124 HE1 HIS 124 0.813 -19.164 14.265 1021 HE2 HIS 124 HE2 HIS 124 0.019 -17.176 15.573 1022 H HIS 125 H HIS 125 0.870 -15.621 10.532 1023 HA HIS 125 HA HIS 125 -0.490 -13.167 10.696 1024 HB2 HIS 125 2HB HIS 125 -1.162 -14.932 9.108 1025 HB3 HIS 125 3HB HIS 125 -1.623 -15.992 10.437 1026 HD1 HIS 125 HD1 HIS 125 -3.699 -15.074 11.930 1027 HD2 HIS 125 HD2 HIS 125 -3.184 -13.290 8.215 1028 HE1 HIS 125 HE1 HIS 125 -5.849 -13.899 11.440 1029 HE2 HIS 125 HE2 HIS 125 -5.595 -13.085 9.095 Start of MODEL 4 1 H1 MET 1 1H MET 1 16.804 9.090 -1.914 2 H2 MET 1 2H MET 1 15.317 9.703 -2.426 3 H3 MET 1 3H MET 1 16.286 8.825 -3.496 4 HA MET 1 HA MET 1 15.997 6.830 -2.289 5 HB2 MET 1 2HB MET 1 14.631 6.719 -0.238 6 HB3 MET 1 3HB MET 1 15.973 7.835 -0.027 7 HG2 MET 1 2HG MET 1 13.108 8.637 -0.595 8 HG3 MET 1 3HG MET 1 13.902 8.690 0.979 9 HE1 MET 1 1HE MET 1 13.544 12.483 -0.067 10 HE2 MET 1 2HE MET 1 13.135 11.272 1.151 11 HE3 MET 1 3HE MET 1 12.414 11.192 -0.461 12 H GLY 2 H GLY 2 14.572 8.737 -4.276 13 HA2 GLY 2 2HA GLY 2 12.980 8.340 -5.880 14 HA3 GLY 2 3HA GLY 2 12.508 6.873 -5.035 15 H LYS 3 H LYS 3 10.561 6.919 -4.010 16 HA LYS 3 HA LYS 3 9.576 9.223 -2.632 17 HB2 LYS 3 2HB LYS 3 8.899 9.763 -5.000 18 HB3 LYS 3 3HB LYS 3 7.955 8.278 -5.049 19 HG2 LYS 3 2HG LYS 3 6.573 10.305 -4.618 20 HG3 LYS 3 3HG LYS 3 6.451 9.102 -3.326 21 HD2 LYS 3 2HD LYS 3 8.147 10.421 -2.011 22 HD3 LYS 3 3HD LYS 3 8.146 11.645 -3.282 23 HE2 LYS 3 2HE LYS 3 5.802 12.137 -2.821 24 HE3 LYS 3 3HE LYS 3 5.743 10.841 -1.622 25 HZ1 LYS 3 1HZ LYS 3 7.276 12.018 -0.248 26 HZ2 LYS 3 2HZ LYS 3 6.048 13.090 -0.683 27 HZ3 LYS 3 3HZ LYS 3 7.550 13.185 -1.439 28 H VAL 4 H VAL 4 8.390 8.576 -0.948 29 HA VAL 4 HA VAL 4 7.288 5.855 -0.753 30 HB VAL 4 HB VAL 4 7.363 8.039 1.389 31 HG11 VAL 4 1HG1 VAL 4 5.684 6.284 1.789 32 HG12 VAL 4 2HG1 VAL 4 6.987 6.189 2.976 33 HG13 VAL 4 3HG1 VAL 4 6.931 5.040 1.636 34 HG21 VAL 4 1HG2 VAL 4 9.672 7.517 0.717 35 HG22 VAL 4 2HG2 VAL 4 9.377 5.798 0.979 36 HG23 VAL 4 3HG2 VAL 4 9.342 6.915 2.343 37 H VAL 5 H VAL 5 5.156 5.578 -1.231 38 HA VAL 5 HA VAL 5 3.239 7.830 -0.934 39 HB VAL 5 HB VAL 5 3.458 5.855 -3.258 40 HG11 VAL 5 1HG1 VAL 5 1.071 6.089 -2.693 41 HG12 VAL 5 2HG1 VAL 5 1.426 6.887 -4.227 42 HG13 VAL 5 3HG1 VAL 5 1.214 7.847 -2.759 43 HG21 VAL 5 1HG2 VAL 5 3.597 8.893 -3.202 44 HG22 VAL 5 2HG2 VAL 5 3.680 7.893 -4.656 45 HG23 VAL 5 3HG2 VAL 5 4.959 7.794 -3.441 46 H PHE 6 H PHE 6 1.361 7.317 0.105 47 HA PHE 6 HA PHE 6 0.645 4.481 0.533 48 HB2 PHE 6 2HB PHE 6 1.081 5.703 2.671 49 HB3 PHE 6 3HB PHE 6 -0.154 6.884 2.245 50 HD1 PHE 6 HD1 PHE 6 0.344 3.225 2.836 51 HD2 PHE 6 HD2 PHE 6 -2.423 6.486 2.911 52 HE1 PHE 6 HE1 PHE 6 -1.359 1.758 3.818 53 HE2 PHE 6 HE2 PHE 6 -4.120 5.005 3.899 54 HZ PHE 6 HZ PHE 6 -3.589 2.641 4.343 55 H LEU 7 H LEU 7 -1.402 3.871 0.090 56 HA LEU 7 HA LEU 7 -3.351 5.738 -1.087 57 HB2 LEU 7 2HB LEU 7 -2.119 4.718 -2.943 58 HB3 LEU 7 3HB LEU 7 -2.337 3.117 -2.258 59 HG LEU 7 HG LEU 7 -4.792 3.272 -2.703 60 HD11 LEU 7 1HD1 LEU 7 -5.098 5.688 -2.612 61 HD12 LEU 7 2HD1 LEU 7 -5.702 5.038 -4.132 62 HD13 LEU 7 3HD1 LEU 7 -4.155 5.888 -4.091 63 HD21 LEU 7 1HD2 LEU 7 -3.072 3.716 -5.160 64 HD22 LEU 7 2HD2 LEU 7 -4.655 2.933 -5.112 65 HD23 LEU 7 3HD2 LEU 7 -3.281 2.185 -4.305 66 H SER 8 H SER 8 -5.453 5.285 -0.437 67 HA SER 8 HA SER 8 -6.293 2.606 0.288 68 HB2 SER 8 2HB SER 8 -5.410 3.467 2.463 69 HB3 SER 8 3HB SER 8 -6.473 4.867 2.340 70 HG SER 8 HG SER 8 -7.287 2.143 2.540 71 H ASP 9 H ASP 9 -8.644 2.466 0.460 72 HA ASP 9 HA ASP 9 -10.167 4.227 -1.199 73 HB2 ASP 9 2HB ASP 9 -11.434 2.455 0.942 74 HB3 ASP 9 3HB ASP 9 -12.103 2.937 -0.612 75 H ASP 10 H ASP 10 -9.602 3.858 2.230 76 HA ASP 10 HA ASP 10 -11.786 5.662 2.989 77 HB2 ASP 10 2HB ASP 10 -11.782 3.373 3.926 78 HB3 ASP 10 3HB ASP 10 -10.183 3.640 4.612 79 H GLN 11 H GLN 11 -11.532 7.407 4.267 80 HA GLN 11 HA GLN 11 -9.100 8.861 4.240 81 HB2 GLN 11 2HB GLN 11 -11.304 9.956 4.120 82 HB3 GLN 11 3HB GLN 11 -11.688 9.405 5.747 83 HG2 GLN 11 2HG GLN 11 -11.056 11.762 5.773 84 HG3 GLN 11 3HG GLN 11 -9.873 10.808 6.660 85 HE21 GLN 11 1HE2 GLN 11 -7.759 10.598 5.812 86 HE22 GLN 11 2HE2 GLN 11 -7.177 11.614 4.540 87 H GLU 12 H GLU 12 -10.858 7.208 6.941 88 HA GLU 12 HA GLU 12 -9.311 8.202 9.084 89 HB2 GLU 12 2HB GLU 12 -10.783 5.535 8.944 90 HB3 GLU 12 3HB GLU 12 -10.187 6.296 10.422 91 HG2 GLU 12 2HG GLU 12 -11.727 8.202 10.040 92 HG3 GLU 12 3HG GLU 12 -12.343 7.395 8.591 93 H ILE 13 H ILE 13 -8.812 5.505 6.931 94 HA ILE 13 HA ILE 13 -6.715 4.134 8.249 95 HB ILE 13 HB ILE 13 -7.353 4.397 5.273 96 HG12 ILE 13 2HG1 ILE 13 -9.209 3.373 6.570 97 HG13 ILE 13 3HG1 ILE 13 -8.479 2.206 5.478 98 HG21 ILE 13 1HG2 ILE 13 -6.004 2.371 4.934 99 HG22 ILE 13 2HG2 ILE 13 -5.554 2.379 6.640 100 HG23 ILE 13 3HG2 ILE 13 -5.031 3.692 5.583 101 HD11 ILE 13 1HD1 ILE 13 -9.042 1.232 7.627 102 HD12 ILE 13 2HD1 ILE 13 -7.990 2.378 8.448 103 HD13 ILE 13 3HD1 ILE 13 -7.302 1.179 7.350 104 H ILE 14 H ILE 14 -6.725 6.551 5.648 105 HA ILE 14 HA ILE 14 -3.985 7.023 5.355 106 HB ILE 14 HB ILE 14 -6.453 8.683 4.721 107 HG12 ILE 14 2HG1 ILE 14 -4.510 7.088 2.994 108 HG13 ILE 14 3HG1 ILE 14 -6.173 6.657 3.378 109 HG21 ILE 14 1HG2 ILE 14 -5.077 10.231 3.363 110 HG22 ILE 14 2HG2 ILE 14 -3.617 9.463 3.985 111 HG23 ILE 14 3HG2 ILE 14 -4.684 10.336 5.082 112 HD11 ILE 14 1HD1 ILE 14 -6.057 7.456 1.143 113 HD12 ILE 14 2HD1 ILE 14 -5.233 8.930 1.647 114 HD13 ILE 14 3HD1 ILE 14 -6.915 8.654 2.111 115 H GLU 15 H GLU 15 -6.327 8.460 7.600 116 HA GLU 15 HA GLU 15 -4.754 10.673 8.453 117 HB2 GLU 15 2HB GLU 15 -7.083 9.271 9.835 118 HB3 GLU 15 3HB GLU 15 -6.368 10.792 10.380 119 HG2 GLU 15 2HG GLU 15 -6.970 11.821 8.192 120 HG3 GLU 15 3HG GLU 15 -7.759 10.316 7.727 121 H GLU 16 H GLU 16 -5.249 7.398 9.714 122 HA GLU 16 HA GLU 16 -3.660 7.599 12.052 123 HB2 GLU 16 2HB GLU 16 -4.502 5.214 10.366 124 HB3 GLU 16 3HB GLU 16 -3.667 5.060 11.909 125 HG2 GLU 16 2HG GLU 16 -6.369 6.346 11.478 126 HG3 GLU 16 3HG GLU 16 -6.082 4.735 12.121 127 H VAL 17 H VAL 17 -2.963 6.459 8.778 128 HA VAL 17 HA VAL 17 -0.323 5.565 9.158 129 HB VAL 17 HB VAL 17 -1.899 6.467 6.710 130 HG11 VAL 17 1HG1 VAL 17 0.920 5.357 6.728 131 HG12 VAL 17 2HG1 VAL 17 0.399 6.915 6.096 132 HG13 VAL 17 3HG1 VAL 17 -0.104 5.426 5.293 133 HG21 VAL 17 1HG2 VAL 17 -1.943 4.035 6.211 134 HG22 VAL 17 2HG2 VAL 17 -2.646 4.386 7.790 135 HG23 VAL 17 3HG2 VAL 17 -1.015 3.719 7.680 136 H SER 18 H SER 18 -1.566 8.669 7.931 137 HA SER 18 HA SER 18 0.961 9.910 7.545 138 HB2 SER 18 2HB SER 18 -1.103 10.541 6.285 139 HB3 SER 18 3HB SER 18 -1.796 11.200 7.769 140 HG SER 18 HG SER 18 0.656 12.235 7.362 141 H LYS 19 H LYS 19 -1.243 9.655 10.269 142 HA LYS 19 HA LYS 19 -0.152 11.678 11.938 143 HB2 LYS 19 2HB LYS 19 -2.341 10.733 12.436 144 HB3 LYS 19 3HB LYS 19 -1.675 9.119 12.562 145 HG2 LYS 19 2HG LYS 19 -2.169 9.786 14.772 146 HG3 LYS 19 3HG LYS 19 -0.420 9.892 14.631 147 HD2 LYS 19 2HD LYS 19 -2.204 12.340 14.313 148 HD3 LYS 19 3HD LYS 19 -1.666 11.784 15.894 149 HE2 LYS 19 2HE LYS 19 0.720 11.966 14.991 150 HE3 LYS 19 3HE LYS 19 0.031 12.824 13.614 151 HZ1 LYS 19 1HZ LYS 19 0.837 14.343 15.270 152 HZ2 LYS 19 2HZ LYS 19 -0.146 13.649 16.456 153 HZ3 LYS 19 3HZ LYS 19 -0.847 14.469 15.160 154 H LYS 20 H LYS 20 0.417 8.138 11.774 155 HA LYS 20 HA LYS 20 2.382 8.087 13.822 156 HB2 LYS 20 2HB LYS 20 0.927 6.121 12.874 157 HB3 LYS 20 3HB LYS 20 2.178 5.969 11.644 158 HG2 LYS 20 2HG LYS 20 2.602 4.386 13.442 159 HG3 LYS 20 3HG LYS 20 3.872 5.619 13.444 160 HD2 LYS 20 2HD LYS 20 2.654 6.820 15.273 161 HD3 LYS 20 3HD LYS 20 1.446 5.532 15.293 162 HE2 LYS 20 2HE LYS 20 2.969 5.146 17.107 163 HE3 LYS 20 3HE LYS 20 3.302 3.930 15.872 164 HZ1 LYS 20 1HZ LYS 20 5.188 5.210 15.145 165 HZ2 LYS 20 2HZ LYS 20 5.314 4.889 16.797 166 HZ3 LYS 20 3HZ LYS 20 4.860 6.428 16.268 167 H ALA 21 H ALA 21 2.518 8.291 10.314 168 HA ALA 21 HA ALA 21 5.274 8.180 9.875 169 HB1 ALA 21 1HB ALA 21 3.183 9.728 8.310 170 HB2 ALA 21 2HB ALA 21 3.598 8.028 8.081 171 HB3 ALA 21 3HB ALA 21 4.796 9.275 7.734 172 H GLU 22 H GLU 22 3.144 10.960 10.574 173 HA GLU 22 HA GLU 22 4.985 13.066 10.409 174 HB2 GLU 22 2HB GLU 22 2.540 13.405 10.580 175 HB3 GLU 22 3HB GLU 22 2.552 12.785 12.227 176 HG2 GLU 22 2HG GLU 22 4.026 14.728 12.872 177 HG3 GLU 22 3HG GLU 22 3.822 15.364 11.243 178 H GLU 23 H GLU 23 4.019 11.094 13.218 179 HA GLU 23 HA GLU 23 5.560 12.367 15.174 180 HB2 GLU 23 2HB GLU 23 4.638 9.463 15.122 181 HB3 GLU 23 3HB GLU 23 5.175 10.340 16.552 182 HG2 GLU 23 2HG GLU 23 2.694 10.914 14.908 183 HG3 GLU 23 3HG GLU 23 2.745 10.181 16.507 184 H GLU 24 H GLU 24 6.376 9.626 13.051 185 HA GLU 24 HA GLU 24 8.957 9.218 14.372 186 HB2 GLU 24 2HB GLU 24 7.822 7.729 11.984 187 HB3 GLU 24 3HB GLU 24 9.160 7.227 13.009 188 HG2 GLU 24 2HG GLU 24 6.217 7.326 13.714 189 HG3 GLU 24 3HG GLU 24 7.240 5.901 13.567 190 H GLY 25 H GLY 25 7.804 11.157 11.852 191 HA2 GLY 25 2HA GLY 25 9.058 12.741 10.684 192 HA3 GLY 25 3HA GLY 25 10.527 11.843 11.020 193 H TYR 26 H TYR 26 8.191 9.730 9.847 194 HA TYR 26 HA TYR 26 9.439 9.349 7.299 195 HB2 TYR 26 2HB TYR 26 6.752 8.304 8.303 196 HB3 TYR 26 3HB TYR 26 7.606 7.719 6.885 197 HD1 TYR 26 HD1 TYR 26 10.325 7.218 7.738 198 HD2 TYR 26 HD2 TYR 26 6.702 6.622 9.932 199 HE1 TYR 26 HE1 TYR 26 11.405 5.444 9.054 200 HE2 TYR 26 HE2 TYR 26 7.788 4.864 11.256 201 HH TYR 26 HH TYR 26 11.168 4.338 11.201 202 H ASP 27 H ASP 27 9.089 10.645 5.527 203 HA ASP 27 HA ASP 27 6.608 12.184 5.199 204 HB2 ASP 27 2HB ASP 27 8.590 13.421 4.634 205 HB3 ASP 27 3HB ASP 27 9.239 12.100 3.678 206 H ILE 28 H ILE 28 4.932 11.292 4.209 207 HA ILE 28 HA ILE 28 5.287 9.327 2.020 208 HB ILE 28 HB ILE 28 3.000 9.263 4.053 209 HG12 ILE 28 2HG1 ILE 28 5.465 7.456 4.016 210 HG13 ILE 28 3HG1 ILE 28 5.106 8.675 5.237 211 HG21 ILE 28 1HG2 ILE 28 2.512 7.053 3.072 212 HG22 ILE 28 2HG2 ILE 28 3.869 7.240 1.960 213 HG23 ILE 28 3HG2 ILE 28 2.475 8.317 1.840 214 HD11 ILE 28 1HD1 ILE 28 4.564 6.513 6.086 215 HD12 ILE 28 2HD1 ILE 28 3.550 6.151 4.693 216 HD13 ILE 28 3HD1 ILE 28 3.067 7.407 5.839 217 H GLN 29 H GLN 29 4.014 9.797 0.198 218 HA GLN 29 HA GLN 29 2.153 12.064 0.296 219 HB2 GLN 29 2HB GLN 29 3.787 11.824 -1.621 220 HB3 GLN 29 3HB GLN 29 2.952 10.351 -2.106 221 HG2 GLN 29 2HG GLN 29 2.206 12.235 -3.476 222 HG3 GLN 29 3HG GLN 29 0.876 11.654 -2.470 223 HE21 GLN 29 1HE2 GLN 29 -0.271 13.585 -2.428 224 HE22 GLN 29 2HE2 GLN 29 0.299 15.015 -1.649 225 H THR 30 H THR 30 0.173 11.563 0.983 226 HA THR 30 HA THR 30 -0.899 8.828 0.702 227 HB THR 30 HB THR 30 -2.535 9.580 2.463 228 HG1 THR 30 HG1 THR 30 -1.724 11.997 1.798 229 HG21 THR 30 1HG2 THR 30 0.388 9.981 3.227 230 HG22 THR 30 2HG2 THR 30 -0.467 8.436 3.183 231 HG23 THR 30 3HG2 THR 30 -0.936 9.665 4.359 232 H SER 31 H SER 31 -2.855 8.431 -0.320 233 HA SER 31 HA SER 31 -4.434 10.572 -1.520 234 HB2 SER 31 2HB SER 31 -2.623 10.310 -3.173 235 HB3 SER 31 3HB SER 31 -2.866 8.567 -3.216 236 HG SER 31 HG SER 31 -3.860 9.596 -4.983 237 H ASN 32 H ASN 32 -6.438 9.882 -2.249 238 HA ASN 32 HA ASN 32 -7.310 7.141 -1.576 239 HB2 ASN 32 2HB ASN 32 -8.982 9.644 -2.102 240 HB3 ASN 32 3HB ASN 32 -9.648 8.048 -1.768 241 HD21 ASN 32 1HD2 ASN 32 -9.347 7.150 0.343 242 HD22 ASN 32 2HD2 ASN 32 -9.032 8.173 1.701 243 H ASP 33 H ASP 33 -6.692 9.306 -4.213 244 HA ASP 33 HA ASP 33 -8.334 7.852 -6.135 245 HB2 ASP 33 2HB ASP 33 -8.033 10.380 -6.251 246 HB3 ASP 33 3HB ASP 33 -6.355 10.105 -6.714 247 H LYS 34 H LYS 34 -7.566 5.894 -6.493 248 HA LYS 34 HA LYS 34 -4.883 5.031 -6.479 249 HB2 LYS 34 2HB LYS 34 -5.797 2.892 -7.354 250 HB3 LYS 34 3HB LYS 34 -6.748 3.523 -6.008 251 HG2 LYS 34 2HG LYS 34 -8.357 4.481 -7.698 252 HG3 LYS 34 3HG LYS 34 -7.462 3.618 -8.954 253 HD2 LYS 34 2HD LYS 34 -8.037 1.473 -7.952 254 HD3 LYS 34 3HD LYS 34 -8.779 2.272 -6.562 255 HE2 LYS 34 2HE LYS 34 -10.485 3.263 -8.087 256 HE3 LYS 34 3HE LYS 34 -9.763 2.377 -9.434 257 HZ1 LYS 34 1HZ LYS 34 -10.957 1.160 -7.006 258 HZ2 LYS 34 2HZ LYS 34 -10.273 0.317 -8.298 259 HZ3 LYS 34 3HZ LYS 34 -11.675 1.226 -8.535 260 H LYS 35 H LYS 35 -6.841 6.368 -9.049 261 HA LYS 35 HA LYS 35 -5.482 5.201 -11.288 262 HB2 LYS 35 2HB LYS 35 -7.201 7.719 -11.157 263 HB3 LYS 35 3HB LYS 35 -6.721 6.878 -12.631 264 HG2 LYS 35 2HG LYS 35 -7.972 4.864 -11.862 265 HG3 LYS 35 3HG LYS 35 -8.498 5.762 -10.438 266 HD2 LYS 35 2HD LYS 35 -10.276 5.768 -12.113 267 HD3 LYS 35 3HD LYS 35 -9.647 7.404 -11.916 268 HE2 LYS 35 2HE LYS 35 -8.342 7.177 -13.978 269 HE3 LYS 35 3HE LYS 35 -8.861 5.498 -14.150 270 HZ1 LYS 35 1HZ LYS 35 -10.115 7.027 -15.556 271 HZ2 LYS 35 2HZ LYS 35 -10.674 7.845 -14.191 272 HZ3 LYS 35 3HZ LYS 35 -11.113 6.237 -14.448 273 H GLU 36 H GLU 36 -5.178 8.213 -9.518 274 HA GLU 36 HA GLU 36 -3.187 9.562 -10.990 275 HB2 GLU 36 2HB GLU 36 -4.550 10.619 -9.230 276 HB3 GLU 36 3HB GLU 36 -3.855 9.552 -8.019 277 HG2 GLU 36 2HG GLU 36 -1.588 10.651 -8.589 278 HG3 GLU 36 3HG GLU 36 -2.529 11.868 -9.458 279 H ILE 37 H ILE 37 -3.057 7.225 -8.353 280 HA ILE 37 HA ILE 37 -0.254 7.244 -7.924 281 HB ILE 37 HB ILE 37 -2.338 5.136 -7.205 282 HG12 ILE 37 2HG1 ILE 37 -2.949 7.273 -6.211 283 HG13 ILE 37 3HG1 ILE 37 -2.294 6.261 -4.932 284 HG21 ILE 37 1HG2 ILE 37 0.452 5.534 -6.082 285 HG22 ILE 37 2HG2 ILE 37 -0.084 4.191 -7.096 286 HG23 ILE 37 3HG2 ILE 37 -0.747 4.389 -5.472 287 HD11 ILE 37 1HD1 ILE 37 -0.922 8.568 -6.322 288 HD12 ILE 37 2HD1 ILE 37 -0.130 7.494 -5.165 289 HD13 ILE 37 3HD1 ILE 37 -1.489 8.490 -4.655 290 H ILE 38 H ILE 38 -2.402 5.137 -9.822 291 HA ILE 38 HA ILE 38 -0.565 3.261 -10.824 292 HB ILE 38 HB ILE 38 -3.186 4.358 -11.935 293 HG12 ILE 38 2HG1 ILE 38 -2.537 1.629 -10.729 294 HG13 ILE 38 3HG1 ILE 38 -3.288 2.960 -9.856 295 HG21 ILE 38 1HG2 ILE 38 -3.245 2.551 -13.613 296 HG22 ILE 38 2HG2 ILE 38 -1.622 2.059 -13.147 297 HG23 ILE 38 3HG2 ILE 38 -1.879 3.634 -13.888 298 HD11 ILE 38 1HD1 ILE 38 -4.461 1.475 -12.201 299 HD12 ILE 38 2HD1 ILE 38 -5.205 2.857 -11.391 300 HD13 ILE 38 3HD1 ILE 38 -4.945 1.353 -10.509 301 H ASP 39 H ASP 39 -1.507 6.495 -11.909 302 HA ASP 39 HA ASP 39 -0.119 6.612 -14.366 303 HB2 ASP 39 2HB ASP 39 -1.927 8.204 -13.680 304 HB3 ASP 39 3HB ASP 39 -0.852 8.901 -12.479 305 H ARG 40 H ARG 40 0.817 7.483 -11.052 306 HA ARG 40 HA ARG 40 3.386 8.564 -11.679 307 HB2 ARG 40 2HB ARG 40 2.344 7.431 -9.048 308 HB3 ARG 40 3HB ARG 40 3.829 8.367 -9.231 309 HG2 ARG 40 2HG ARG 40 2.486 10.307 -10.000 310 HG3 ARG 40 3HG ARG 40 1.015 9.369 -9.760 311 HD2 ARG 40 2HD ARG 40 1.409 9.239 -7.369 312 HD3 ARG 40 3HD ARG 40 3.000 9.992 -7.543 313 HE ARG 40 HE ARG 40 1.398 11.876 -8.580 314 HH11 ARG 40 1HH1 ARG 40 1.130 10.116 -5.548 315 HH12 ARG 40 2HH1 ARG 40 0.325 11.412 -4.726 316 HH21 ARG 40 1HH2 ARG 40 0.340 13.565 -7.504 317 HH22 ARG 40 2HH2 ARG 40 -0.125 13.376 -5.843 318 H LEU 41 H LEU 41 2.228 5.330 -10.879 319 HA LEU 41 HA LEU 41 4.780 4.041 -10.690 320 HB2 LEU 41 2HB LEU 41 1.993 2.946 -11.230 321 HB3 LEU 41 3HB LEU 41 3.402 1.931 -10.959 322 HG LEU 41 HG LEU 41 2.364 3.912 -8.890 323 HD11 LEU 41 1HD1 LEU 41 1.326 2.028 -7.720 324 HD12 LEU 41 2HD1 LEU 41 1.776 0.937 -9.036 325 HD13 LEU 41 3HD1 LEU 41 0.621 2.242 -9.323 326 HD21 LEU 41 1HD2 LEU 41 4.725 3.313 -8.618 327 HD22 LEU 41 2HD2 LEU 41 4.313 1.596 -8.636 328 HD23 LEU 41 3HD2 LEU 41 3.752 2.627 -7.316 329 H LYS 42 H LYS 42 2.571 4.814 -13.320 330 HA LYS 42 HA LYS 42 3.902 3.359 -15.409 331 HB2 LYS 42 2HB LYS 42 1.957 5.703 -15.461 332 HB3 LYS 42 3HB LYS 42 2.594 4.973 -16.931 333 HG2 LYS 42 2HG LYS 42 1.553 2.837 -16.344 334 HG3 LYS 42 3HG LYS 42 0.951 3.525 -14.836 335 HD2 LYS 42 2HD LYS 42 -0.528 5.026 -16.019 336 HD3 LYS 42 3HD LYS 42 0.207 4.622 -17.574 337 HE2 LYS 42 2HE LYS 42 -1.357 2.686 -15.831 338 HE3 LYS 42 3HE LYS 42 -1.999 3.525 -17.244 339 HZ1 LYS 42 1HZ LYS 42 -0.470 2.372 -18.646 340 HZ2 LYS 42 2HZ LYS 42 -1.255 1.223 -17.690 341 HZ3 LYS 42 3HZ LYS 42 0.330 1.679 -17.330 342 H ARG 43 H ARG 43 4.304 6.515 -13.944 343 HA ARG 43 HA ARG 43 6.328 7.421 -15.815 344 HB2 ARG 43 2HB ARG 43 5.574 8.509 -13.072 345 HB3 ARG 43 3HB ARG 43 6.589 9.327 -14.260 346 HG2 ARG 43 2HG ARG 43 4.696 9.527 -15.787 347 HG3 ARG 43 3HG ARG 43 3.681 8.614 -14.670 348 HD2 ARG 43 2HD ARG 43 4.009 10.422 -12.966 349 HD3 ARG 43 3HD ARG 43 4.895 11.354 -14.177 350 HE ARG 43 HE ARG 43 2.037 10.620 -14.330 351 HH11 ARG 43 1HH1 ARG 43 4.641 12.803 -15.228 352 HH12 ARG 43 2HH1 ARG 43 3.585 13.905 -16.052 353 HH21 ARG 43 1HH2 ARG 43 0.691 12.013 -15.444 354 HH22 ARG 43 2HH2 ARG 43 1.326 13.452 -16.176 355 H ARG 44 H ARG 44 6.317 5.252 -13.210 356 HA ARG 44 HA ARG 44 7.833 4.239 -11.879 357 HB2 ARG 44 2HB ARG 44 9.616 5.150 -14.153 358 HB3 ARG 44 3HB ARG 44 10.363 4.443 -12.730 359 HG2 ARG 44 2HG ARG 44 10.095 2.751 -14.437 360 HG3 ARG 44 3HG ARG 44 9.066 2.382 -13.060 361 HD2 ARG 44 2HD ARG 44 7.841 1.892 -15.076 362 HD3 ARG 44 3HD ARG 44 7.117 3.329 -14.342 363 HE ARG 44 HE ARG 44 8.783 4.485 -16.043 364 HH11 ARG 44 1HH1 ARG 44 6.635 1.748 -16.634 365 HH12 ARG 44 2HH1 ARG 44 6.461 2.120 -18.319 366 HH21 ARG 44 1HH2 ARG 44 8.529 4.936 -18.256 367 HH22 ARG 44 2HH2 ARG 44 7.523 3.909 -19.228 368 H ASN 45 H ASN 45 7.007 6.916 -11.250 369 HA ASN 45 HA ASN 45 9.312 8.313 -10.131 370 HB2 ASN 45 2HB ASN 45 6.355 9.024 -10.286 371 HB3 ASN 45 3HB ASN 45 7.524 10.015 -9.415 372 HD21 ASN 45 1HD2 ASN 45 9.637 9.476 -11.505 373 HD22 ASN 45 2HD2 ASN 45 9.182 10.476 -12.832 374 H ILE 46 H ILE 46 7.473 5.780 -9.019 375 HA ILE 46 HA ILE 46 7.623 6.651 -6.179 376 HB ILE 46 HB ILE 46 5.832 4.475 -7.357 377 HG12 ILE 46 2HG1 ILE 46 5.136 7.284 -6.374 378 HG13 ILE 46 3HG1 ILE 46 5.045 6.714 -8.037 379 HG21 ILE 46 1HG2 ILE 46 6.507 3.976 -5.030 380 HG22 ILE 46 2HG2 ILE 46 4.791 4.377 -5.112 381 HG23 ILE 46 3HG2 ILE 46 5.947 5.570 -4.516 382 HD11 ILE 46 1HD1 ILE 46 3.327 5.787 -5.732 383 HD12 ILE 46 2HD1 ILE 46 3.246 5.168 -7.386 384 HD13 ILE 46 3HD1 ILE 46 2.849 6.851 -7.055 385 H ASP 47 H ASP 47 9.102 5.690 -4.963 386 HA ASP 47 HA ASP 47 10.723 3.455 -5.868 387 HB2 ASP 47 2HB ASP 47 11.824 5.285 -4.694 388 HB3 ASP 47 3HB ASP 47 10.736 5.133 -3.326 389 H MET 48 H MET 48 8.561 4.144 -3.139 390 HA MET 48 HA MET 48 7.948 1.288 -2.808 391 HB2 MET 48 2HB MET 48 8.199 1.547 -0.305 392 HB3 MET 48 3HB MET 48 9.716 1.598 -1.187 393 HG2 MET 48 2HG MET 48 9.769 4.039 -0.993 394 HG3 MET 48 3HG MET 48 8.230 4.012 -0.129 395 HE1 MET 48 1HE MET 48 9.222 2.156 3.187 396 HE2 MET 48 2HE MET 48 8.600 1.400 1.721 397 HE3 MET 48 3HE MET 48 7.916 2.926 2.286 398 H ILE 49 H ILE 49 5.893 0.917 -2.113 399 HA ILE 49 HA ILE 49 4.113 3.170 -1.527 400 HB ILE 49 HB ILE 49 4.032 2.998 -3.961 401 HG12 ILE 49 2HG1 ILE 49 1.533 1.838 -2.647 402 HG13 ILE 49 3HG1 ILE 49 1.894 3.541 -2.913 403 HG21 ILE 49 1HG2 ILE 49 3.322 0.066 -3.630 404 HG22 ILE 49 2HG2 ILE 49 4.858 0.699 -4.226 405 HG23 ILE 49 3HG2 ILE 49 3.381 0.953 -5.157 406 HD11 ILE 49 1HD1 ILE 49 1.333 1.479 -5.039 407 HD12 ILE 49 2HD1 ILE 49 1.741 3.173 -5.334 408 HD13 ILE 49 3HD1 ILE 49 0.253 2.757 -4.484 409 H ILE 50 H ILE 50 2.316 2.599 -0.360 410 HA ILE 50 HA ILE 50 1.908 -0.236 0.416 411 HB ILE 50 HB ILE 50 1.756 2.179 2.297 412 HG12 ILE 50 2HG1 ILE 50 3.852 -0.045 2.269 413 HG13 ILE 50 3HG1 ILE 50 4.115 1.572 1.628 414 HG21 ILE 50 1HG2 ILE 50 1.423 -0.790 2.869 415 HG22 ILE 50 2HG2 ILE 50 0.150 0.433 2.910 416 HG23 ILE 50 3HG2 ILE 50 1.459 0.481 4.092 417 HD11 ILE 50 1HD1 ILE 50 3.577 0.863 4.499 418 HD12 ILE 50 2HD1 ILE 50 3.795 2.497 3.869 419 HD13 ILE 50 3HD1 ILE 50 5.119 1.336 3.790 420 H VAL 51 H VAL 51 -0.210 -0.824 0.168 421 HA VAL 51 HA VAL 51 -2.263 1.270 -0.265 422 HB VAL 51 HB VAL 51 -2.044 -1.316 -1.884 423 HG11 VAL 51 1HG1 VAL 51 -3.874 1.088 -2.239 424 HG12 VAL 51 2HG1 VAL 51 -4.356 -0.491 -1.618 425 HG13 VAL 51 3HG1 VAL 51 -3.819 -0.329 -3.293 426 HG21 VAL 51 1HG2 VAL 51 -0.200 0.170 -2.523 427 HG22 VAL 51 2HG2 VAL 51 -1.325 1.513 -2.739 428 HG23 VAL 51 3HG2 VAL 51 -1.408 0.114 -3.810 429 H LYS 52 H LYS 52 -3.704 1.055 1.357 430 HA LYS 52 HA LYS 52 -4.547 -1.607 2.291 431 HB2 LYS 52 2HB LYS 52 -4.088 -0.038 4.078 432 HB3 LYS 52 3HB LYS 52 -5.087 1.200 3.331 433 HG2 LYS 52 2HG LYS 52 -6.184 0.195 5.295 434 HG3 LYS 52 3HG LYS 52 -7.118 -0.068 3.821 435 HD2 LYS 52 2HD LYS 52 -6.285 -2.387 3.695 436 HD3 LYS 52 3HD LYS 52 -5.297 -2.126 5.137 437 HE2 LYS 52 2HE LYS 52 -7.367 -3.343 5.666 438 HE3 LYS 52 3HE LYS 52 -7.332 -1.782 6.481 439 HZ1 LYS 52 1HZ LYS 52 -8.852 -2.452 4.021 440 HZ2 LYS 52 2HZ LYS 52 -8.786 -0.919 4.726 441 HZ3 LYS 52 3HZ LYS 52 -9.492 -2.205 5.564 442 H THR 53 H THR 53 -5.892 -2.440 0.839 443 HA THR 53 HA THR 53 -8.547 -1.373 0.631 444 HB THR 53 HB THR 53 -7.569 -0.190 -1.312 445 HG1 THR 53 HG1 THR 53 -9.549 -0.616 -1.934 446 HG21 THR 53 1HG2 THR 53 -6.883 -2.916 -2.440 447 HG22 THR 53 2HG2 THR 53 -5.712 -1.751 -1.837 448 HG23 THR 53 3HG2 THR 53 -6.677 -1.364 -3.261 449 H GLU 54 H GLU 54 -10.018 -3.001 0.251 450 HA GLU 54 HA GLU 54 -8.978 -5.768 0.148 451 HB2 GLU 54 2HB GLU 54 -10.624 -4.914 1.968 452 HB3 GLU 54 3HB GLU 54 -11.852 -4.940 0.708 453 HG2 GLU 54 2HG GLU 54 -11.239 -7.410 0.374 454 HG3 GLU 54 3HG GLU 54 -10.311 -7.281 1.867 455 H ASP 55 H ASP 55 -10.260 -3.388 -1.873 456 HA ASP 55 HA ASP 55 -11.873 -4.934 -3.674 457 HB2 ASP 55 2HB ASP 55 -11.989 -2.409 -3.400 458 HB3 ASP 55 3HB ASP 55 -10.437 -2.288 -4.215 459 H LYS 56 H LYS 56 -10.927 -6.637 -4.599 460 HA LYS 56 HA LYS 56 -8.245 -7.191 -4.985 461 HB2 LYS 56 2HB LYS 56 -10.632 -8.318 -6.493 462 HB3 LYS 56 3HB LYS 56 -9.023 -9.041 -6.463 463 HG2 LYS 56 2HG LYS 56 -9.222 -9.435 -4.050 464 HG3 LYS 56 3HG LYS 56 -10.810 -8.659 -4.040 465 HD2 LYS 56 2HD LYS 56 -11.022 -11.121 -4.059 466 HD3 LYS 56 3HD LYS 56 -11.704 -10.408 -5.522 467 HE2 LYS 56 2HE LYS 56 -9.637 -11.013 -6.762 468 HE3 LYS 56 3HE LYS 56 -8.980 -11.744 -5.296 469 HZ1 LYS 56 1HZ LYS 56 -10.814 -13.311 -5.303 470 HZ2 LYS 56 2HZ LYS 56 -9.950 -13.399 -6.751 471 HZ3 LYS 56 3HZ LYS 56 -11.445 -12.615 -6.708 472 H GLU 57 H GLU 57 -10.513 -5.666 -7.241 473 HA GLU 57 HA GLU 57 -8.968 -5.803 -9.600 474 HB2 GLU 57 2HB GLU 57 -10.992 -3.690 -8.758 475 HB3 GLU 57 3HB GLU 57 -10.395 -3.918 -10.399 476 HG2 GLU 57 2HG GLU 57 -11.977 -5.970 -8.819 477 HG3 GLU 57 3HG GLU 57 -12.668 -4.859 -9.998 478 H SER 58 H SER 58 -9.227 -3.308 -7.053 479 HA SER 58 HA SER 58 -7.460 -1.410 -8.209 480 HB2 SER 58 2HB SER 58 -8.286 -1.760 -5.295 481 HB3 SER 58 3HB SER 58 -7.571 -0.306 -6.006 482 HG SER 58 HG SER 58 -10.138 -1.342 -6.258 483 H ILE 59 H ILE 59 -7.025 -3.908 -5.700 484 HA ILE 59 HA ILE 59 -4.397 -3.513 -4.930 485 HB ILE 59 HB ILE 59 -5.799 -6.211 -5.298 486 HG12 ILE 59 2HG1 ILE 59 -5.635 -4.474 -2.791 487 HG13 ILE 59 3HG1 ILE 59 -7.054 -4.635 -3.813 488 HG21 ILE 59 1HG2 ILE 59 -3.382 -5.505 -3.594 489 HG22 ILE 59 2HG2 ILE 59 -3.385 -6.513 -5.042 490 HG23 ILE 59 3HG2 ILE 59 -4.214 -7.064 -3.589 491 HD11 ILE 59 1HD1 ILE 59 -7.285 -5.971 -1.831 492 HD12 ILE 59 2HD1 ILE 59 -5.780 -6.822 -2.180 493 HD13 ILE 59 3HD1 ILE 59 -7.177 -7.020 -3.244 494 H SER 60 H SER 60 -5.600 -5.683 -7.494 495 HA SER 60 HA SER 60 -3.144 -6.663 -8.394 496 HB2 SER 60 2HB SER 60 -5.300 -7.770 -8.881 497 HB3 SER 60 3HB SER 60 -5.753 -6.446 -9.955 498 HG SER 60 HG SER 60 -3.421 -8.033 -10.308 499 H GLU 61 H GLU 61 -5.094 -3.889 -9.552 500 HA GLU 61 HA GLU 61 -3.695 -3.137 -11.823 501 HB2 GLU 61 2HB GLU 61 -5.077 -1.402 -9.737 502 HB3 GLU 61 3HB GLU 61 -4.401 -0.732 -11.219 503 HG2 GLU 61 2HG GLU 61 -6.628 -2.774 -11.044 504 HG3 GLU 61 3HG GLU 61 -6.818 -1.059 -11.388 505 H ILE 62 H ILE 62 -3.177 -1.880 -8.517 506 HA ILE 62 HA ILE 62 -0.962 -0.271 -9.071 507 HB ILE 62 HB ILE 62 -2.080 -1.443 -6.517 508 HG12 ILE 62 2HG1 ILE 62 -2.276 1.003 -5.890 509 HG13 ILE 62 3HG1 ILE 62 -1.607 1.433 -7.457 510 HG21 ILE 62 1HG2 ILE 62 0.318 -1.612 -6.104 511 HG22 ILE 62 2HG2 ILE 62 -0.346 -0.281 -5.162 512 HG23 ILE 62 3HG2 ILE 62 0.558 0.055 -6.634 513 HD11 ILE 62 1HD1 ILE 62 -3.562 0.442 -8.545 514 HD12 ILE 62 2HD1 ILE 62 -3.993 1.722 -7.412 515 HD13 ILE 62 3HD1 ILE 62 -4.221 0.034 -6.959 516 H ILE 63 H ILE 63 -1.070 -3.679 -7.901 517 HA ILE 63 HA ILE 63 1.676 -4.052 -7.442 518 HB ILE 63 HB ILE 63 -0.341 -6.153 -8.354 519 HG12 ILE 63 2HG1 ILE 63 0.612 -5.479 -5.534 520 HG13 ILE 63 3HG1 ILE 63 -0.927 -4.962 -6.218 521 HG21 ILE 63 1HG2 ILE 63 2.397 -6.543 -7.063 522 HG22 ILE 63 2HG2 ILE 63 1.963 -6.957 -8.723 523 HG23 ILE 63 3HG2 ILE 63 1.226 -7.829 -7.380 524 HD11 ILE 63 1HD1 ILE 63 -0.073 -7.814 -5.771 525 HD12 ILE 63 2HD1 ILE 63 -1.620 -7.280 -6.438 526 HD13 ILE 63 3HD1 ILE 63 -1.191 -6.881 -4.776 527 H LYS 64 H LYS 64 -0.245 -4.738 -10.397 528 HA LYS 64 HA LYS 64 1.729 -5.781 -12.067 529 HB2 LYS 64 2HB LYS 64 -0.744 -4.120 -12.714 530 HB3 LYS 64 3HB LYS 64 0.225 -4.925 -13.948 531 HG2 LYS 64 2HG LYS 64 -0.415 -7.087 -13.226 532 HG3 LYS 64 3HG LYS 64 -0.974 -6.499 -11.658 533 HD2 LYS 64 2HD LYS 64 -2.862 -7.126 -13.125 534 HD3 LYS 64 3HD LYS 64 -2.902 -5.414 -12.698 535 HE2 LYS 64 2HE LYS 64 -3.480 -5.729 -15.051 536 HE3 LYS 64 3HE LYS 64 -1.955 -4.856 -14.919 537 HZ1 LYS 64 1HZ LYS 64 -0.802 -6.959 -15.341 538 HZ2 LYS 64 2HZ LYS 64 -1.821 -6.528 -16.617 539 HZ3 LYS 64 3HZ LYS 64 -2.285 -7.741 -15.532 540 H GLN 65 H GLN 65 0.780 -2.421 -11.440 541 HA GLN 65 HA GLN 65 2.598 -1.251 -13.328 542 HB2 GLN 65 2HB GLN 65 1.168 0.059 -10.986 543 HB3 GLN 65 3HB GLN 65 1.937 0.892 -12.333 544 HG2 GLN 65 2HG GLN 65 -0.588 -0.764 -12.363 545 HG3 GLN 65 3HG GLN 65 -0.398 0.935 -12.745 546 HE21 GLN 65 1HE2 GLN 65 0.625 1.484 -14.738 547 HE22 GLN 65 2HE2 GLN 65 0.676 0.373 -16.061 548 H VAL 66 H VAL 66 2.841 -2.136 -9.935 549 HA VAL 66 HA VAL 66 5.261 -0.693 -9.344 550 HB VAL 66 HB VAL 66 3.845 -2.980 -7.890 551 HG11 VAL 66 1HG1 VAL 66 6.241 -1.389 -6.913 552 HG12 VAL 66 2HG1 VAL 66 6.259 -3.090 -7.366 553 HG13 VAL 66 3HG1 VAL 66 5.333 -2.561 -5.966 554 HG21 VAL 66 1HG2 VAL 66 2.641 -0.820 -7.883 555 HG22 VAL 66 2HG2 VAL 66 4.062 -0.027 -7.205 556 HG23 VAL 66 3HG2 VAL 66 3.199 -1.244 -6.263 557 H LEU 67 H LEU 67 4.453 -3.940 -10.489 558 HA LEU 67 HA LEU 67 7.049 -5.095 -10.328 559 HB2 LEU 67 2HB LEU 67 4.770 -5.815 -12.223 560 HB3 LEU 67 3HB LEU 67 6.180 -6.810 -11.893 561 HG LEU 67 HG LEU 67 3.936 -6.153 -9.952 562 HD11 LEU 67 1HD1 LEU 67 4.700 -8.777 -11.246 563 HD12 LEU 67 2HD1 LEU 67 3.283 -7.787 -11.614 564 HD13 LEU 67 3HD1 LEU 67 3.435 -8.549 -10.034 565 HD21 LEU 67 1HD2 LEU 67 6.446 -7.773 -9.410 566 HD22 LEU 67 2HD2 LEU 67 5.044 -7.670 -8.341 567 HD23 LEU 67 3HD2 LEU 67 6.001 -6.230 -8.674 568 H ASP 68 H ASP 68 5.210 -3.444 -12.870 569 HA ASP 68 HA ASP 68 7.157 -3.402 -14.910 570 HB2 ASP 68 2HB ASP 68 4.753 -2.934 -15.312 571 HB3 ASP 68 3HB ASP 68 4.856 -1.469 -14.343 572 H SER 69 H SER 69 6.547 -1.281 -12.153 573 HA SER 69 HA SER 69 8.405 0.765 -12.916 574 HB2 SER 69 2HB SER 69 6.390 1.226 -11.497 575 HB3 SER 69 3HB SER 69 7.116 0.294 -10.188 576 HG SER 69 HG SER 69 8.949 1.868 -10.458 577 H GLY 70 H GLY 70 8.672 -2.280 -11.280 578 HA2 GLY 70 2HA GLY 70 10.335 -3.350 -10.116 579 HA3 GLY 70 3HA GLY 70 11.465 -2.193 -10.813 580 H ALA 71 H ALA 71 8.743 -1.995 -8.535 581 HA ALA 71 HA ALA 71 10.383 -0.380 -6.663 582 HB1 ALA 71 1HB ALA 71 7.420 -0.135 -7.320 583 HB2 ALA 71 2HB ALA 71 8.692 0.987 -7.798 584 HB3 ALA 71 3HB ALA 71 8.273 0.808 -6.095 585 H LYS 72 H LYS 72 9.354 -0.382 -4.414 586 HA LYS 72 HA LYS 72 8.750 -3.106 -3.510 587 HB2 LYS 72 2HB LYS 72 9.444 -0.524 -2.040 588 HB3 LYS 72 3HB LYS 72 8.900 -1.962 -1.195 589 HG2 LYS 72 2HG LYS 72 11.280 -1.869 -1.025 590 HG3 LYS 72 3HG LYS 72 10.863 -3.207 -2.089 591 HD2 LYS 72 2HD LYS 72 12.811 -2.004 -2.938 592 HD3 LYS 72 3HD LYS 72 11.453 -1.819 -4.051 593 HE2 LYS 72 2HE LYS 72 12.659 0.298 -3.780 594 HE3 LYS 72 3HE LYS 72 11.024 0.437 -3.143 595 HZ1 LYS 72 1HZ LYS 72 12.625 1.484 -1.693 596 HZ2 LYS 72 2HZ LYS 72 13.491 0.042 -1.542 597 HZ3 LYS 72 3HZ LYS 72 11.932 0.158 -0.907 598 H VAL 73 H VAL 73 6.769 -3.659 -2.571 599 HA VAL 73 HA VAL 73 4.704 -1.606 -2.193 600 HB VAL 73 HB VAL 73 4.329 -2.319 -4.486 601 HG11 VAL 73 1HG1 VAL 73 3.773 -4.639 -5.127 602 HG12 VAL 73 2HG1 VAL 73 4.128 -5.176 -3.485 603 HG13 VAL 73 3HG1 VAL 73 5.414 -4.503 -4.486 604 HG21 VAL 73 1HG2 VAL 73 2.329 -1.793 -3.158 605 HG22 VAL 73 2HG2 VAL 73 2.176 -3.486 -2.676 606 HG23 VAL 73 3HG2 VAL 73 1.967 -3.027 -4.369 607 H LEU 74 H LEU 74 3.424 -1.970 -0.500 608 HA LEU 74 HA LEU 74 3.287 -4.642 0.751 609 HB2 LEU 74 2HB LEU 74 4.390 -3.126 2.276 610 HB3 LEU 74 3HB LEU 74 3.175 -1.887 2.016 611 HG LEU 74 HG LEU 74 1.483 -3.247 3.205 612 HD11 LEU 74 1HD1 LEU 74 2.099 -5.291 4.442 613 HD12 LEU 74 2HD1 LEU 74 3.671 -5.294 3.637 614 HD13 LEU 74 3HD1 LEU 74 2.195 -5.496 2.693 615 HD21 LEU 74 1HD2 LEU 74 4.016 -2.899 4.826 616 HD22 LEU 74 2HD2 LEU 74 2.378 -3.053 5.470 617 HD23 LEU 74 3HD2 LEU 74 2.811 -1.654 4.489 618 H ILE 75 H ILE 75 1.392 -5.532 0.297 619 HA ILE 75 HA ILE 75 -1.015 -3.917 -0.152 620 HB ILE 75 HB ILE 75 -0.413 -6.849 -0.709 621 HG12 ILE 75 2HG1 ILE 75 0.607 -5.325 -2.337 622 HG13 ILE 75 3HG1 ILE 75 -0.726 -6.182 -3.099 623 HG21 ILE 75 1HG2 ILE 75 -2.660 -7.023 -1.753 624 HG22 ILE 75 2HG2 ILE 75 -3.049 -5.404 -1.163 625 HG23 ILE 75 3HG2 ILE 75 -2.761 -6.714 -0.015 626 HD11 ILE 75 1HD1 ILE 75 -0.804 -3.330 -2.102 627 HD12 ILE 75 2HD1 ILE 75 -2.133 -4.188 -2.889 628 HD13 ILE 75 3HD1 ILE 75 -0.647 -3.855 -3.777 629 H LEU 76 H LEU 76 -2.359 -3.635 1.418 630 HA LEU 76 HA LEU 76 -2.597 -5.522 3.680 631 HB2 LEU 76 2HB LEU 76 -3.134 -2.513 3.616 632 HB3 LEU 76 3HB LEU 76 -3.323 -3.558 5.019 633 HG LEU 76 HG LEU 76 -0.671 -2.964 3.637 634 HD11 LEU 76 1HD1 LEU 76 -1.708 -1.882 6.274 635 HD12 LEU 76 2HD1 LEU 76 -1.549 -0.971 4.770 636 HD13 LEU 76 3HD1 LEU 76 -0.111 -1.594 5.575 637 HD21 LEU 76 1HD2 LEU 76 -0.692 -5.178 4.674 638 HD22 LEU 76 2HD2 LEU 76 -1.243 -4.485 6.203 639 HD23 LEU 76 3HD2 LEU 76 0.358 -4.083 5.571 640 H SER 77 H SER 77 -4.466 -6.602 3.586 641 HA SER 77 HA SER 77 -6.937 -5.279 2.674 642 HB2 SER 77 2HB SER 77 -6.228 -8.152 1.896 643 HB3 SER 77 3HB SER 77 -7.631 -7.215 1.374 644 HG SER 77 HG SER 77 -5.842 -5.739 0.516 645 H SER 78 H SER 78 -8.739 -5.933 3.847 646 HA SER 78 HA SER 78 -8.279 -6.854 6.482 647 HB2 SER 78 2HB SER 78 -10.931 -6.538 5.020 648 HB3 SER 78 3HB SER 78 -10.703 -6.613 6.771 649 HG SER 78 HG SER 78 -10.797 -4.484 6.283 650 H ASP 79 H ASP 79 -9.363 -8.438 3.555 651 HA ASP 79 HA ASP 79 -10.170 -10.897 4.899 652 HB2 ASP 79 2HB ASP 79 -11.506 -9.943 3.005 653 HB3 ASP 79 3HB ASP 79 -10.143 -10.220 1.926 654 H GLU 80 H GLU 80 -8.942 -12.618 5.125 655 HA GLU 80 HA GLU 80 -6.167 -12.684 4.596 656 HB2 GLU 80 2HB GLU 80 -7.954 -15.019 5.402 657 HB3 GLU 80 3HB GLU 80 -6.207 -14.905 5.625 658 HG2 GLU 80 2HG GLU 80 -6.522 -13.048 7.205 659 HG3 GLU 80 3HG GLU 80 -8.268 -13.138 6.977 660 H ASN 81 H ASN 81 -8.920 -14.020 2.835 661 HA ASN 81 HA ASN 81 -7.426 -15.993 1.331 662 HB2 ASN 81 2HB ASN 81 -10.233 -14.927 0.758 663 HB3 ASN 81 3HB ASN 81 -9.520 -16.415 0.135 664 HD21 ASN 81 1HD2 ASN 81 -10.904 -14.835 2.921 665 HD22 ASN 81 2HD2 ASN 81 -11.182 -16.277 3.840 666 H ILE 82 H ILE 82 -8.508 -12.677 0.884 667 HA ILE 82 HA ILE 82 -7.795 -12.448 -1.878 668 HB ILE 82 HB ILE 82 -8.277 -10.350 0.280 669 HG12 ILE 82 2HG1 ILE 82 -9.971 -11.291 -2.090 670 HG13 ILE 82 3HG1 ILE 82 -10.256 -11.689 -0.400 671 HG21 ILE 82 1HG2 ILE 82 -6.729 -9.384 -1.375 672 HG22 ILE 82 2HG2 ILE 82 -8.322 -8.639 -1.513 673 HG23 ILE 82 3HG2 ILE 82 -7.812 -9.854 -2.687 674 HD11 ILE 82 1HD1 ILE 82 -10.462 -8.953 -1.642 675 HD12 ILE 82 2HD1 ILE 82 -10.713 -9.335 0.063 676 HD13 ILE 82 3HD1 ILE 82 -11.792 -10.005 -1.157 677 H ILE 83 H ILE 83 -6.160 -11.491 1.199 678 HA ILE 83 HA ILE 83 -3.653 -10.748 0.185 679 HB ILE 83 HB ILE 83 -4.411 -12.089 2.819 680 HG12 ILE 83 2HG1 ILE 83 -5.248 -9.747 2.399 681 HG13 ILE 83 3HG1 ILE 83 -4.195 -9.860 3.802 682 HG21 ILE 83 1HG2 ILE 83 -2.069 -12.664 2.470 683 HG22 ILE 83 2HG2 ILE 83 -2.186 -11.439 3.732 684 HG23 ILE 83 3HG2 ILE 83 -1.673 -10.985 2.106 685 HD11 ILE 83 1HD1 ILE 83 -3.389 -8.827 1.074 686 HD12 ILE 83 2HD1 ILE 83 -2.345 -8.912 2.498 687 HD13 ILE 83 3HD1 ILE 83 -3.754 -7.855 2.499 688 H GLU 84 H GLU 84 -4.965 -13.968 0.810 689 HA GLU 84 HA GLU 84 -2.704 -15.567 0.304 690 HB2 GLU 84 2HB GLU 84 -4.708 -16.386 1.457 691 HB3 GLU 84 3HB GLU 84 -5.667 -16.175 -0.001 692 HG2 GLU 84 2HG GLU 84 -4.291 -17.931 -1.120 693 HG3 GLU 84 3HG GLU 84 -3.420 -18.172 0.396 694 H SER 85 H SER 85 -5.322 -14.478 -1.888 695 HA SER 85 HA SER 85 -4.434 -15.853 -4.195 696 HB2 SER 85 2HB SER 85 -6.161 -13.357 -3.964 697 HB3 SER 85 3HB SER 85 -5.961 -14.318 -5.434 698 HG SER 85 HG SER 85 -6.775 -15.546 -3.030 699 H ILE 86 H ILE 86 -3.744 -12.651 -2.916 700 HA ILE 86 HA ILE 86 -2.169 -11.702 -5.081 701 HB ILE 86 HB ILE 86 -2.241 -10.837 -2.153 702 HG12 ILE 86 2HG1 ILE 86 -4.427 -10.526 -3.175 703 HG13 ILE 86 3HG1 ILE 86 -3.680 -8.944 -3.038 704 HG21 ILE 86 1HG2 ILE 86 -1.015 -9.394 -4.524 705 HG22 ILE 86 2HG2 ILE 86 -0.150 -10.069 -3.145 706 HG23 ILE 86 3HG2 ILE 86 -1.234 -8.698 -2.912 707 HD11 ILE 86 1HD1 ILE 86 -4.842 -9.145 -5.128 708 HD12 ILE 86 2HD1 ILE 86 -3.944 -10.600 -5.552 709 HD13 ILE 86 3HD1 ILE 86 -3.111 -9.043 -5.446 710 H ARG 87 H ARG 87 -1.419 -13.563 -2.156 711 HA ARG 87 HA ARG 87 1.414 -13.509 -2.359 712 HB2 ARG 87 2HB ARG 87 -0.605 -15.143 -0.831 713 HB3 ARG 87 3HB ARG 87 1.044 -15.756 -0.912 714 HG2 ARG 87 2HG ARG 87 1.887 -13.674 0.071 715 HG3 ARG 87 3HG ARG 87 0.247 -13.023 0.135 716 HD2 ARG 87 2HD ARG 87 1.001 -15.601 1.540 717 HD3 ARG 87 3HD ARG 87 1.227 -14.028 2.299 718 HE ARG 87 HE ARG 87 -1.258 -13.732 1.833 719 HH11 ARG 87 1HH1 ARG 87 0.104 -16.898 2.479 720 HH12 ARG 87 2HH1 ARG 87 -1.361 -17.507 3.179 721 HH21 ARG 87 1HH2 ARG 87 -3.138 -14.519 2.856 722 HH22 ARG 87 2HH2 ARG 87 -3.186 -16.165 3.393 723 H LYS 88 H LYS 88 -1.029 -15.753 -3.652 724 HA LYS 88 HA LYS 88 0.956 -17.728 -4.411 725 HB2 LYS 88 2HB LYS 88 -0.931 -19.071 -5.223 726 HB3 LYS 88 3HB LYS 88 -1.230 -18.472 -3.595 727 HG2 LYS 88 2HG LYS 88 -2.648 -16.646 -4.617 728 HG3 LYS 88 3HG LYS 88 -2.475 -17.456 -6.175 729 HD2 LYS 88 2HD LYS 88 -3.697 -18.707 -3.676 730 HD3 LYS 88 3HD LYS 88 -4.613 -17.995 -5.005 731 HE2 LYS 88 2HE LYS 88 -2.743 -20.374 -5.271 732 HE3 LYS 88 3HE LYS 88 -4.501 -20.468 -5.152 733 HZ1 LYS 88 1HZ LYS 88 -3.796 -20.603 -7.435 734 HZ2 LYS 88 2HZ LYS 88 -2.973 -19.136 -7.315 735 HZ3 LYS 88 3HZ LYS 88 -4.655 -19.167 -7.195 736 H GLN 89 H GLN 89 -0.877 -15.177 -6.050 737 HA GLN 89 HA GLN 89 0.096 -15.943 -8.689 738 HB2 GLN 89 2HB GLN 89 -1.320 -13.384 -7.818 739 HB3 GLN 89 3HB GLN 89 -1.032 -13.890 -9.484 740 HG2 GLN 89 2HG GLN 89 -2.478 -15.871 -9.117 741 HG3 GLN 89 3HG GLN 89 -2.784 -15.330 -7.466 742 HE21 GLN 89 1HE2 GLN 89 -5.004 -15.108 -7.765 743 HE22 GLN 89 2HE2 GLN 89 -5.700 -13.889 -8.773 744 H TYR 90 H TYR 90 0.848 -13.505 -6.222 745 HA TYR 90 HA TYR 90 3.308 -12.721 -7.700 746 HB2 TYR 90 2HB TYR 90 1.827 -10.965 -5.700 747 HB3 TYR 90 3HB TYR 90 3.114 -10.490 -6.798 748 HD1 TYR 90 HD1 TYR 90 2.598 -10.345 -9.308 749 HD2 TYR 90 HD2 TYR 90 -0.475 -10.844 -6.370 750 HE1 TYR 90 HE1 TYR 90 0.917 -9.563 -10.921 751 HE2 TYR 90 HE2 TYR 90 -2.153 -10.069 -7.990 752 HH TYR 90 HH TYR 90 -1.481 -9.726 -11.321 753 HA PRO 91 HA PRO 91 4.795 -14.728 -3.820 754 HB2 PRO 91 2HB PRO 91 7.336 -15.305 -4.700 755 HB3 PRO 91 3HB PRO 91 5.923 -16.293 -5.130 756 HG2 PRO 91 2HG PRO 91 7.274 -14.149 -6.751 757 HG3 PRO 91 3HG PRO 91 6.720 -15.764 -7.259 758 HD2 PRO 91 2HD PRO 91 5.245 -13.535 -7.744 759 HD3 PRO 91 3HD PRO 91 4.488 -15.109 -7.409 760 H LYS 92 H LYS 92 6.323 -12.067 -5.623 761 HA LYS 92 HA LYS 92 8.326 -11.610 -3.553 762 HB2 LYS 92 2HB LYS 92 7.829 -10.134 -6.160 763 HB3 LYS 92 3HB LYS 92 9.216 -9.892 -5.097 764 HG2 LYS 92 2HG LYS 92 9.892 -12.260 -5.484 765 HG3 LYS 92 3HG LYS 92 8.536 -12.448 -6.601 766 HD2 LYS 92 2HD LYS 92 10.893 -10.543 -6.932 767 HD3 LYS 92 3HD LYS 92 10.635 -12.044 -7.824 768 HE2 LYS 92 2HE LYS 92 8.573 -11.085 -8.815 769 HE3 LYS 92 3HE LYS 92 8.859 -9.579 -7.937 770 HZ1 LYS 92 1HZ LYS 92 9.634 -9.405 -10.189 771 HZ2 LYS 92 2HZ LYS 92 10.624 -10.759 -10.007 772 HZ3 LYS 92 3HZ LYS 92 10.957 -9.352 -9.137 773 H VAL 93 H VAL 93 5.157 -10.492 -4.016 774 HA VAL 93 HA VAL 93 5.488 -7.772 -3.114 775 HB VAL 93 HB VAL 93 3.566 -8.341 -4.537 776 HG11 VAL 93 1HG1 VAL 93 1.690 -9.735 -3.783 777 HG12 VAL 93 2HG1 VAL 93 2.542 -10.095 -2.281 778 HG13 VAL 93 3HG1 VAL 93 3.191 -10.665 -3.818 779 HG21 VAL 93 1HG2 VAL 93 1.744 -7.253 -3.283 780 HG22 VAL 93 2HG2 VAL 93 3.282 -6.447 -2.978 781 HG23 VAL 93 3HG2 VAL 93 2.604 -7.533 -1.766 782 H GLU 94 H GLU 94 5.718 -7.095 -1.004 783 HA GLU 94 HA GLU 94 5.407 -8.780 1.273 784 HB2 GLU 94 2HB GLU 94 5.680 -5.775 0.911 785 HB3 GLU 94 3HB GLU 94 5.376 -6.462 2.501 786 HG2 GLU 94 2HG GLU 94 7.759 -7.192 0.766 787 HG3 GLU 94 3HG GLU 94 7.783 -5.953 2.020 788 H THR 95 H THR 95 3.500 -9.526 1.950 789 HA THR 95 HA THR 95 1.065 -7.848 1.766 790 HB THR 95 HB THR 95 -0.159 -10.137 1.666 791 HG1 THR 95 HG1 THR 95 2.299 -11.069 0.598 792 HG21 THR 95 1HG2 THR 95 0.052 -10.331 -0.772 793 HG22 THR 95 2HG2 THR 95 1.503 -9.324 -0.739 794 HG23 THR 95 3HG2 THR 95 -0.060 -8.635 -0.287 795 H ARG 96 H ARG 96 -0.308 -7.917 3.476 796 HA ARG 96 HA ARG 96 0.065 -9.635 5.757 797 HB2 ARG 96 2HB ARG 96 1.793 -7.987 6.270 798 HB3 ARG 96 3HB ARG 96 0.700 -6.652 5.924 799 HG2 ARG 96 2HG ARG 96 -0.634 -7.173 7.903 800 HG3 ARG 96 3HG ARG 96 0.348 -8.604 8.223 801 HD2 ARG 96 2HD ARG 96 2.282 -7.250 8.724 802 HD3 ARG 96 3HD ARG 96 1.461 -5.783 8.180 803 HE ARG 96 HE ARG 96 -0.022 -6.964 10.271 804 HH11 ARG 96 1HH1 ARG 96 3.022 -5.241 9.830 805 HH12 ARG 96 2HH1 ARG 96 3.016 -4.595 11.441 806 HH21 ARG 96 1HH2 ARG 96 -0.006 -6.080 12.360 807 HH22 ARG 96 2HH2 ARG 96 1.316 -5.070 12.855 808 H ARG 97 H ARG 97 -1.895 -10.016 6.563 809 HA ARG 97 HA ARG 97 -4.270 -8.714 5.703 810 HB2 ARG 97 2HB ARG 97 -4.236 -11.082 6.449 811 HB3 ARG 97 3HB ARG 97 -3.783 -10.573 8.070 812 HG2 ARG 97 2HG ARG 97 -6.151 -9.149 7.618 813 HG3 ARG 97 3HG ARG 97 -6.456 -10.682 6.799 814 HD2 ARG 97 2HD ARG 97 -7.236 -10.767 9.120 815 HD3 ARG 97 3HD ARG 97 -5.896 -11.895 8.877 816 HE ARG 97 HE ARG 97 -4.441 -10.322 9.992 817 HH11 ARG 97 1HH1 ARG 97 -7.876 -9.760 10.470 818 HH12 ARG 97 2HH1 ARG 97 -7.630 -8.826 11.912 819 HH21 ARG 97 1HH2 ARG 97 -4.152 -9.064 11.839 820 HH22 ARG 97 2HH2 ARG 97 -5.533 -8.431 12.682 821 H ALA 98 H ALA 98 -5.249 -6.948 6.540 822 HA ALA 98 HA ALA 98 -4.748 -5.980 9.252 823 HB1 ALA 98 1HB ALA 98 -4.161 -3.693 8.486 824 HB2 ALA 98 2HB ALA 98 -4.157 -4.246 6.807 825 HB3 ALA 98 3HB ALA 98 -2.962 -4.870 7.946 826 H GLN 99 H GLN 99 -6.756 -5.719 9.976 827 HA GLN 99 HA GLN 99 -8.939 -5.040 8.100 828 HB2 GLN 99 2HB GLN 99 -9.230 -6.034 10.971 829 HB3 GLN 99 3HB GLN 99 -10.523 -5.815 9.792 830 HG2 GLN 99 2HG GLN 99 -9.230 -7.538 8.353 831 HG3 GLN 99 3HG GLN 99 -8.347 -7.911 9.826 832 HE21 GLN 99 1HE2 GLN 99 -9.569 -8.773 11.622 833 HE22 GLN 99 2HE2 GLN 99 -11.033 -9.641 11.341 834 H ASP 100 H ASP 100 -7.795 -4.098 11.380 835 HA ASP 100 HA ASP 100 -9.454 -1.686 11.287 836 HB2 ASP 100 2HB ASP 100 -9.235 -3.256 13.339 837 HB3 ASP 100 3HB ASP 100 -7.629 -2.576 13.564 838 H LYS 101 H LYS 101 -8.537 0.407 11.662 839 HA LYS 101 HA LYS 101 -6.363 1.043 9.991 840 HB2 LYS 101 2HB LYS 101 -6.681 3.386 10.852 841 HB3 LYS 101 3HB LYS 101 -8.146 2.617 10.257 842 HG2 LYS 101 2HG LYS 101 -8.780 2.106 12.643 843 HG3 LYS 101 3HG LYS 101 -7.384 3.061 13.166 844 HD2 LYS 101 2HD LYS 101 -8.321 5.072 12.094 845 HD3 LYS 101 3HD LYS 101 -9.671 4.135 11.447 846 HE2 LYS 101 2HE LYS 101 -10.496 3.723 13.713 847 HE3 LYS 101 3HE LYS 101 -9.109 4.569 14.400 848 HZ1 LYS 101 1HZ LYS 101 -11.094 5.831 12.599 849 HZ2 LYS 101 2HZ LYS 101 -9.868 6.599 13.467 850 HZ3 LYS 101 3HZ LYS 101 -11.168 5.899 14.288 851 H GLU 102 H GLU 102 -6.432 0.288 13.387 852 HA GLU 102 HA GLU 102 -3.937 1.335 14.209 853 HB2 GLU 102 2HB GLU 102 -5.326 -1.217 15.139 854 HB3 GLU 102 3HB GLU 102 -4.039 -0.378 16.003 855 HG2 GLU 102 2HG GLU 102 -6.788 0.743 15.420 856 HG3 GLU 102 3HG GLU 102 -6.282 0.036 16.946 857 H GLU 103 H GLU 103 -4.844 -1.849 12.963 858 HA GLU 103 HA GLU 103 -2.286 -3.043 12.917 859 HB2 GLU 103 2HB GLU 103 -4.677 -3.807 11.183 860 HB3 GLU 103 3HB GLU 103 -3.343 -4.848 11.683 861 HG2 GLU 103 2HG GLU 103 -4.091 -4.635 14.046 862 HG3 GLU 103 3HG GLU 103 -5.453 -3.653 13.513 863 H VAL 104 H VAL 104 -3.999 -1.047 10.614 864 HA VAL 104 HA VAL 104 -2.382 -1.537 8.320 865 HB VAL 104 HB VAL 104 -4.086 0.915 8.948 866 HG11 VAL 104 1HG1 VAL 104 -4.120 1.253 6.484 867 HG12 VAL 104 2HG1 VAL 104 -2.999 -0.089 6.291 868 HG13 VAL 104 3HG1 VAL 104 -2.489 1.368 7.143 869 HG21 VAL 104 1HG2 VAL 104 -5.435 -1.136 9.039 870 HG22 VAL 104 2HG2 VAL 104 -4.844 -1.625 7.451 871 HG23 VAL 104 3HG2 VAL 104 -5.862 -0.189 7.612 872 H LYS 105 H LYS 105 -2.478 1.234 10.644 873 HA LYS 105 HA LYS 105 -0.339 2.657 9.467 874 HB2 LYS 105 2HB LYS 105 -0.372 4.100 11.431 875 HB3 LYS 105 3HB LYS 105 -2.026 3.724 10.963 876 HG2 LYS 105 2HG LYS 105 -2.091 1.983 12.758 877 HG3 LYS 105 3HG LYS 105 -0.476 2.488 13.263 878 HD2 LYS 105 2HD LYS 105 -1.375 4.761 13.764 879 HD3 LYS 105 3HD LYS 105 -2.986 4.215 13.290 880 HE2 LYS 105 2HE LYS 105 -2.869 2.483 15.103 881 HE3 LYS 105 3HE LYS 105 -1.338 3.187 15.622 882 HZ1 LYS 105 1HZ LYS 105 -3.116 4.034 16.953 883 HZ2 LYS 105 2HZ LYS 105 -3.986 4.518 15.589 884 HZ3 LYS 105 3HZ LYS 105 -2.536 5.291 15.979 885 H ASP 106 H ASP 106 -0.404 0.254 12.100 886 HA ASP 106 HA ASP 106 2.267 0.219 12.873 887 HB2 ASP 106 2HB ASP 106 0.490 -1.081 14.010 888 HB3 ASP 106 3HB ASP 106 0.330 -2.134 12.610 889 H ALA 107 H ALA 107 0.663 -1.613 10.267 890 HA ALA 107 HA ALA 107 2.887 -3.107 9.396 891 HB1 ALA 107 1HB ALA 107 1.516 -3.598 7.413 892 HB2 ALA 107 2HB ALA 107 0.394 -2.308 7.866 893 HB3 ALA 107 3HB ALA 107 0.566 -3.732 8.895 894 H VAL 108 H VAL 108 1.597 0.025 8.447 895 HA VAL 108 HA VAL 108 3.203 0.563 6.210 896 HB VAL 108 HB VAL 108 1.855 2.454 8.193 897 HG11 VAL 108 1HG1 VAL 108 3.136 3.157 5.528 898 HG12 VAL 108 2HG1 VAL 108 3.710 3.656 7.117 899 HG13 VAL 108 3HG1 VAL 108 2.172 4.248 6.514 900 HG21 VAL 108 1HG2 VAL 108 0.303 1.044 6.896 901 HG22 VAL 108 2HG2 VAL 108 1.052 1.580 5.393 902 HG23 VAL 108 3HG2 VAL 108 0.168 2.731 6.395 903 H GLU 109 H GLU 109 3.544 1.766 9.568 904 HA GLU 109 HA GLU 109 6.002 3.024 9.470 905 HB2 GLU 109 2HB GLU 109 4.475 3.127 11.404 906 HB3 GLU 109 3HB GLU 109 4.769 1.427 11.760 907 HG2 GLU 109 2HG GLU 109 7.234 2.085 12.107 908 HG3 GLU 109 3HG GLU 109 6.673 3.761 12.070 909 H GLU 110 H GLU 110 5.290 -0.358 10.013 910 HA GLU 110 HA GLU 110 7.769 -1.428 10.704 911 HB2 GLU 110 2HB GLU 110 5.395 -2.435 10.813 912 HB3 GLU 110 3HB GLU 110 5.566 -2.801 9.104 913 HG2 GLU 110 2HG GLU 110 6.014 -4.785 10.347 914 HG3 GLU 110 3HG GLU 110 7.532 -4.219 9.649 915 H PHE 111 H PHE 111 6.192 -1.127 7.518 916 HA PHE 111 HA PHE 111 8.213 -2.322 5.909 917 HB2 PHE 111 2HB PHE 111 5.770 -2.100 5.338 918 HB3 PHE 111 3HB PHE 111 6.001 -0.376 5.121 919 HD1 PHE 111 HD1 PHE 111 7.064 -3.699 3.780 920 HD2 PHE 111 HD2 PHE 111 6.618 0.461 2.965 921 HE1 PHE 111 HE1 PHE 111 7.466 -4.123 1.406 922 HE2 PHE 111 HE2 PHE 111 7.038 0.030 0.584 923 HZ PHE 111 HZ PHE 111 7.450 -2.263 -0.200 924 H LEU 112 H LEU 112 7.584 0.941 7.011 925 HA LEU 112 HA LEU 112 9.295 2.383 5.238 926 HB2 LEU 112 2HB LEU 112 8.234 3.172 7.978 927 HB3 LEU 112 3HB LEU 112 8.946 4.276 6.808 928 HG LEU 112 HG LEU 112 6.363 2.732 6.392 929 HD11 LEU 112 1HD1 LEU 112 6.734 5.655 7.042 930 HD12 LEU 112 2HD1 LEU 112 6.090 4.413 8.121 931 HD13 LEU 112 3HD1 LEU 112 5.207 4.853 6.662 932 HD21 LEU 112 1HD2 LEU 112 6.031 4.155 4.428 933 HD22 LEU 112 2HD2 LEU 112 7.471 3.155 4.276 934 HD23 LEU 112 3HD2 LEU 112 7.627 4.869 4.668 935 H LYS 113 H LYS 113 9.752 0.917 8.441 936 HA LYS 113 HA LYS 113 12.133 2.103 9.260 937 HB2 LYS 113 2HB LYS 113 11.046 -0.692 9.785 938 HB3 LYS 113 3HB LYS 113 12.494 -0.072 10.581 939 HG2 LYS 113 2HG LYS 113 11.192 1.775 11.545 940 HG3 LYS 113 3HG LYS 113 9.736 1.173 10.749 941 HD2 LYS 113 2HD LYS 113 9.784 -0.861 12.091 942 HD3 LYS 113 3HD LYS 113 11.339 -0.401 12.799 943 HE2 LYS 113 2HE LYS 113 8.711 1.081 13.163 944 HE3 LYS 113 3HE LYS 113 9.489 0.041 14.357 945 HZ1 LYS 113 1HZ LYS 113 10.475 2.639 13.323 946 HZ2 LYS 113 2HZ LYS 113 11.420 1.599 14.256 947 HZ3 LYS 113 3HZ LYS 113 10.009 2.261 14.906 948 H GLU 114 H GLU 114 11.729 -0.647 7.063 949 HA GLU 114 HA GLU 114 14.635 -0.771 6.567 950 HB2 GLU 114 2HB GLU 114 12.376 -2.588 5.636 951 HB3 GLU 114 3HB GLU 114 14.079 -2.815 5.224 952 HG2 GLU 114 2HG GLU 114 14.617 -3.064 7.624 953 HG3 GLU 114 3HG GLU 114 12.905 -2.876 8.018 954 H GLY 115 H GLY 115 11.851 0.693 5.321 955 HA2 GLY 115 2HA GLY 115 11.475 1.992 3.476 956 HA3 GLY 115 3HA GLY 115 13.160 1.782 3.028 957 H GLY 116 H GLY 116 11.331 -1.109 3.533 958 HA2 GLY 116 2HA GLY 116 10.114 -1.561 1.097 959 HA3 GLY 116 3HA GLY 116 11.804 -1.971 0.848 960 H SER 117 H SER 117 10.608 -2.629 4.043 961 HA SER 117 HA SER 117 9.438 -5.168 3.524 962 HB2 SER 117 2HB SER 117 11.781 -5.817 3.058 963 HB3 SER 117 3HB SER 117 12.287 -5.208 4.634 964 HG SER 117 HG SER 117 11.098 -6.825 5.620 965 H LEU 118 H LEU 118 8.603 -6.136 5.364 966 HA LEU 118 HA LEU 118 8.544 -4.572 7.868 967 HB2 LEU 118 2HB LEU 118 6.839 -6.966 7.030 968 HB3 LEU 118 3HB LEU 118 6.638 -6.016 8.488 969 HG LEU 118 HG LEU 118 6.206 -4.018 6.786 970 HD11 LEU 118 1HD1 LEU 118 6.813 -5.256 4.768 971 HD12 LEU 118 2HD1 LEU 118 5.146 -4.690 4.709 972 HD13 LEU 118 3HD1 LEU 118 5.489 -6.389 5.053 973 HD21 LEU 118 1HD2 LEU 118 4.542 -4.854 8.383 974 HD22 LEU 118 2HD2 LEU 118 4.116 -6.164 7.278 975 HD23 LEU 118 3HD2 LEU 118 3.799 -4.486 6.826 976 H GLU 119 H GLU 119 8.618 -5.941 9.950 977 HA GLU 119 HA GLU 119 10.414 -8.181 9.937 978 HB2 GLU 119 2HB GLU 119 8.504 -7.173 12.086 979 HB3 GLU 119 3HB GLU 119 9.589 -8.544 12.313 980 HG2 GLU 119 2HG GLU 119 10.411 -5.680 11.732 981 HG3 GLU 119 3HG GLU 119 10.554 -6.516 13.279 982 H HIS 120 H HIS 120 9.612 -9.354 8.337 983 HA HIS 120 HA HIS 120 7.270 -11.071 8.725 984 HB2 HIS 120 2HB HIS 120 6.498 -9.014 7.535 985 HB3 HIS 120 3HB HIS 120 7.770 -9.207 6.342 986 HD1 HIS 120 HD1 HIS 120 6.950 -10.143 4.215 987 HD2 HIS 120 HD2 HIS 120 4.654 -11.417 7.428 988 HE1 HIS 120 HE1 HIS 120 5.054 -11.448 3.223 989 HE2 HIS 120 HE2 HIS 120 3.567 -11.982 5.167 990 H HIS 121 H HIS 121 10.444 -10.869 8.317 991 HA HIS 121 HA HIS 121 11.121 -12.013 5.819 992 HB2 HIS 121 2HB HIS 121 12.752 -11.842 8.387 993 HB3 HIS 121 3HB HIS 121 13.409 -12.281 6.817 994 HD1 HIS 121 HD1 HIS 121 13.839 -10.388 5.136 995 HD2 HIS 121 HD2 HIS 121 12.185 -9.084 8.715 996 HE1 HIS 121 HE1 HIS 121 14.121 -7.897 5.157 997 HE2 HIS 121 HE2 HIS 121 13.255 -7.171 7.397 998 H HIS 122 H HIS 122 9.964 -13.879 5.548 999 HA HIS 122 HA HIS 122 10.987 -16.316 6.808 1000 HB2 HIS 122 2HB HIS 122 8.011 -15.591 6.740 1001 HB3 HIS 122 3HB HIS 122 8.630 -17.190 7.119 1002 HD1 HIS 122 HD1 HIS 122 7.269 -14.450 8.786 1003 HD2 HIS 122 HD2 HIS 122 10.597 -16.826 9.512 1004 HE1 HIS 122 HE1 HIS 122 7.769 -14.188 11.227 1005 HE2 HIS 122 HE2 HIS 122 9.911 -15.443 11.578 1006 H HIS 123 H HIS 123 10.227 -18.252 5.562 1007 HA HIS 123 HA HIS 123 9.741 -17.845 2.749 1008 HB2 HIS 123 2HB HIS 123 9.611 -20.348 4.493 1009 HB3 HIS 123 3HB HIS 123 9.255 -20.367 2.767 1010 HD1 HIS 123 HD1 HIS 123 11.217 -21.025 1.387 1011 HD2 HIS 123 HD2 HIS 123 12.388 -19.161 4.904 1012 HE1 HIS 123 HE1 HIS 123 13.727 -21.002 1.337 1013 HE2 HIS 123 HE2 HIS 123 14.405 -19.787 3.430 1014 H HIS 124 H HIS 124 8.059 -16.392 2.880 1015 HA HIS 124 HA HIS 124 5.665 -16.733 4.346 1016 HB2 HIS 124 2HB HIS 124 4.848 -14.766 2.928 1017 HB3 HIS 124 3HB HIS 124 6.320 -14.485 3.841 1018 HD1 HIS 124 HD1 HIS 124 8.501 -14.121 2.513 1019 HD2 HIS 124 HD2 HIS 124 5.174 -14.738 0.106 1020 HE1 HIS 124 HE1 HIS 124 9.219 -13.516 0.197 1021 HE2 HIS 124 HE2 HIS 124 7.270 -14.127 -1.251 1022 H HIS 125 H HIS 125 4.243 -18.266 3.959 1023 HA HIS 125 HA HIS 125 3.683 -19.199 1.211 1024 HB2 HIS 125 2HB HIS 125 2.962 -20.509 3.881 1025 HB3 HIS 125 3HB HIS 125 2.716 -21.204 2.280 1026 HD1 HIS 125 HD1 HIS 125 4.840 -21.684 4.987 1027 HD2 HIS 125 HD2 HIS 125 5.548 -21.166 0.925 1028 HE1 HIS 125 HE1 HIS 125 7.111 -22.676 4.564 1029 HE2 HIS 125 HE2 HIS 125 7.398 -22.552 2.068 Start of MODEL 5 1 H1 MET 1 1H MET 1 15.905 7.144 -2.886 2 H2 MET 1 2H MET 1 17.159 6.706 -1.841 3 H3 MET 1 3H MET 1 17.337 8.040 -2.865 4 HA MET 1 HA MET 1 16.913 8.688 -0.584 5 HB2 MET 1 2HB MET 1 16.180 10.100 -2.548 6 HB3 MET 1 3HB MET 1 14.595 9.352 -2.455 7 HG2 MET 1 2HG MET 1 15.825 10.990 -0.222 8 HG3 MET 1 3HG MET 1 14.722 11.636 -1.436 9 HE1 MET 1 1HE MET 1 12.552 11.498 1.874 10 HE2 MET 1 2HE MET 1 13.197 12.548 0.612 11 HE3 MET 1 3HE MET 1 14.283 11.813 1.794 12 H GLY 2 H GLY 2 13.833 7.515 -1.975 13 HA2 GLY 2 2HA GLY 2 12.791 5.518 -0.834 14 HA3 GLY 2 3HA GLY 2 13.030 6.414 0.668 15 H LYS 3 H LYS 3 11.616 6.837 -2.594 16 HA LYS 3 HA LYS 3 9.717 8.820 -1.763 17 HB2 LYS 3 2HB LYS 3 10.569 8.660 -4.117 18 HB3 LYS 3 3HB LYS 3 9.708 7.143 -4.308 19 HG2 LYS 3 2HG LYS 3 8.431 8.846 -5.394 20 HG3 LYS 3 3HG LYS 3 7.535 8.385 -3.949 21 HD2 LYS 3 2HD LYS 3 9.412 10.766 -3.859 22 HD3 LYS 3 3HD LYS 3 7.836 10.945 -4.622 23 HE2 LYS 3 2HE LYS 3 6.681 10.557 -2.583 24 HE3 LYS 3 3HE LYS 3 8.109 9.878 -1.801 25 HZ1 LYS 3 1HZ LYS 3 7.678 12.097 -1.017 26 HZ2 LYS 3 2HZ LYS 3 7.747 12.719 -2.580 27 HZ3 LYS 3 3HZ LYS 3 9.135 12.074 -1.866 28 H VAL 4 H VAL 4 8.543 8.028 -0.089 29 HA VAL 4 HA VAL 4 7.039 5.528 -0.295 30 HB VAL 4 HB VAL 4 6.918 7.531 2.008 31 HG11 VAL 4 1HG1 VAL 4 6.347 4.541 1.920 32 HG12 VAL 4 2HG1 VAL 4 5.127 5.821 1.921 33 HG13 VAL 4 3HG1 VAL 4 6.172 5.598 3.325 34 HG21 VAL 4 1HG2 VAL 4 8.644 6.231 3.186 35 HG22 VAL 4 2HG2 VAL 4 9.287 6.930 1.699 36 HG23 VAL 4 3HG2 VAL 4 8.873 5.217 1.761 37 H VAL 5 H VAL 5 5.141 5.625 -1.324 38 HA VAL 5 HA VAL 5 3.368 7.949 -0.855 39 HB VAL 5 HB VAL 5 3.458 6.203 -3.364 40 HG11 VAL 5 1HG1 VAL 5 1.755 7.774 -4.271 41 HG12 VAL 5 2HG1 VAL 5 1.674 8.584 -2.705 42 HG13 VAL 5 3HG1 VAL 5 1.154 6.904 -2.857 43 HG21 VAL 5 1HG2 VAL 5 5.357 7.772 -3.276 44 HG22 VAL 5 2HG2 VAL 5 4.253 9.119 -2.991 45 HG23 VAL 5 3HG2 VAL 5 4.211 8.256 -4.530 46 H PHE 6 H PHE 6 1.904 7.330 0.582 47 HA PHE 6 HA PHE 6 0.903 4.599 0.717 48 HB2 PHE 6 2HB PHE 6 1.344 5.819 2.828 49 HB3 PHE 6 3HB PHE 6 0.191 7.071 2.370 50 HD1 PHE 6 HD1 PHE 6 0.428 3.380 2.969 51 HD2 PHE 6 HD2 PHE 6 -2.083 6.847 3.072 52 HE1 PHE 6 HE1 PHE 6 -1.383 2.043 3.955 53 HE2 PHE 6 HE2 PHE 6 -3.888 5.493 4.063 54 HZ PHE 6 HZ PHE 6 -3.534 3.096 4.491 55 H LEU 7 H LEU 7 -0.977 3.970 -0.051 56 HA LEU 7 HA LEU 7 -2.988 5.853 -1.126 57 HB2 LEU 7 2HB LEU 7 -1.919 4.667 -2.983 58 HB3 LEU 7 3HB LEU 7 -2.080 3.126 -2.157 59 HG LEU 7 HG LEU 7 -4.553 3.228 -2.423 60 HD11 LEU 7 1HD1 LEU 7 -4.080 5.781 -3.988 61 HD12 LEU 7 2HD1 LEU 7 -4.888 5.646 -2.426 62 HD13 LEU 7 3HD1 LEU 7 -5.613 4.915 -3.855 63 HD21 LEU 7 1HD2 LEU 7 -4.639 2.794 -4.827 64 HD22 LEU 7 2HD2 LEU 7 -3.203 2.068 -4.111 65 HD23 LEU 7 3HD2 LEU 7 -3.064 3.560 -5.043 66 H SER 8 H SER 8 -4.999 5.585 -0.184 67 HA SER 8 HA SER 8 -5.953 2.923 0.427 68 HB2 SER 8 2HB SER 8 -5.031 3.594 2.634 69 HB3 SER 8 3HB SER 8 -5.981 5.081 2.584 70 HG SER 8 HG SER 8 -7.009 2.425 2.601 71 H ASP 9 H ASP 9 -8.170 2.799 0.298 72 HA ASP 9 HA ASP 9 -9.449 4.912 -1.231 73 HB2 ASP 9 2HB ASP 9 -9.632 2.468 -1.812 74 HB3 ASP 9 3HB ASP 9 -10.550 2.211 -0.335 75 H ASP 10 H ASP 10 -9.215 4.069 2.079 76 HA ASP 10 HA ASP 10 -11.751 5.422 2.816 77 HB2 ASP 10 2HB ASP 10 -11.531 3.090 3.643 78 HB3 ASP 10 3HB ASP 10 -10.024 3.504 4.449 79 H GLN 11 H GLN 11 -11.744 7.129 4.244 80 HA GLN 11 HA GLN 11 -9.514 8.882 4.236 81 HB2 GLN 11 2HB GLN 11 -11.808 9.716 4.140 82 HB3 GLN 11 3HB GLN 11 -12.169 9.022 5.715 83 HG2 GLN 11 2HG GLN 11 -11.890 11.425 5.921 84 HG3 GLN 11 3HG GLN 11 -10.584 10.610 6.771 85 HE21 GLN 11 1HE2 GLN 11 -8.461 10.772 5.934 86 HE22 GLN 11 2HE2 GLN 11 -8.032 11.988 4.784 87 H GLU 12 H GLU 12 -11.081 7.110 6.971 88 HA GLU 12 HA GLU 12 -9.587 8.194 9.090 89 HB2 GLU 12 2HB GLU 12 -10.895 5.448 8.904 90 HB3 GLU 12 3HB GLU 12 -10.238 6.132 10.390 91 HG2 GLU 12 2HG GLU 12 -11.885 8.011 10.192 92 HG3 GLU 12 3HG GLU 12 -12.587 7.188 8.797 93 H ILE 13 H ILE 13 -8.897 5.557 6.919 94 HA ILE 13 HA ILE 13 -6.760 4.304 8.288 95 HB ILE 13 HB ILE 13 -7.346 4.486 5.299 96 HG12 ILE 13 2HG1 ILE 13 -9.195 3.414 6.579 97 HG13 ILE 13 3HG1 ILE 13 -8.408 2.275 5.500 98 HG21 ILE 13 1HG2 ILE 13 -5.905 2.524 5.036 99 HG22 ILE 13 2HG2 ILE 13 -5.511 2.567 6.752 100 HG23 ILE 13 3HG2 ILE 13 -5.009 3.889 5.699 101 HD11 ILE 13 1HD1 ILE 13 -8.054 2.442 8.491 102 HD12 ILE 13 2HD1 ILE 13 -7.219 1.307 7.426 103 HD13 ILE 13 3HD1 ILE 13 -8.971 1.235 7.594 104 H ILE 14 H ILE 14 -6.853 6.720 5.669 105 HA ILE 14 HA ILE 14 -4.130 7.177 5.288 106 HB ILE 14 HB ILE 14 -6.483 9.080 4.852 107 HG12 ILE 14 2HG1 ILE 14 -5.006 7.263 2.890 108 HG13 ILE 14 3HG1 ILE 14 -6.597 6.938 3.568 109 HG21 ILE 14 1HG2 ILE 14 -3.667 9.325 3.725 110 HG22 ILE 14 2HG2 ILE 14 -4.377 10.378 4.948 111 HG23 ILE 14 3HG2 ILE 14 -5.035 10.362 3.312 112 HD11 ILE 14 1HD1 ILE 14 -6.800 7.755 1.324 113 HD12 ILE 14 2HD1 ILE 14 -5.860 9.195 1.713 114 HD13 ILE 14 3HD1 ILE 14 -7.452 8.954 2.440 115 H GLU 15 H GLU 15 -6.425 8.704 7.533 116 HA GLU 15 HA GLU 15 -4.745 10.811 8.449 117 HB2 GLU 15 2HB GLU 15 -7.183 9.537 9.761 118 HB3 GLU 15 3HB GLU 15 -6.434 11.051 10.274 119 HG2 GLU 15 2HG GLU 15 -6.947 12.071 8.099 120 HG3 GLU 15 3HG GLU 15 -7.649 10.554 7.540 121 H GLU 16 H GLU 16 -5.302 7.518 9.648 122 HA GLU 16 HA GLU 16 -3.782 7.807 12.065 123 HB2 GLU 16 2HB GLU 16 -4.803 5.375 10.554 124 HB3 GLU 16 3HB GLU 16 -3.964 5.271 12.103 125 HG2 GLU 16 2HG GLU 16 -6.488 6.879 11.669 126 HG3 GLU 16 3HG GLU 16 -6.472 5.216 12.230 127 H VAL 17 H VAL 17 -3.064 6.531 8.838 128 HA VAL 17 HA VAL 17 -0.392 5.697 9.365 129 HB VAL 17 HB VAL 17 -1.844 6.412 6.773 130 HG11 VAL 17 1HG1 VAL 17 0.002 5.282 5.552 131 HG12 VAL 17 2HG1 VAL 17 0.919 5.168 7.055 132 HG13 VAL 17 3HG1 VAL 17 0.548 6.750 6.367 133 HG21 VAL 17 1HG2 VAL 17 -2.714 4.433 7.964 134 HG22 VAL 17 2HG2 VAL 17 -1.099 3.720 7.982 135 HG23 VAL 17 3HG2 VAL 17 -1.937 3.965 6.451 136 H SER 18 H SER 18 -1.847 8.730 8.269 137 HA SER 18 HA SER 18 0.537 10.162 7.717 138 HB2 SER 18 2HB SER 18 -1.707 10.818 6.853 139 HB3 SER 18 3HB SER 18 -2.220 11.225 8.489 140 HG SER 18 HG SER 18 -0.970 12.982 8.464 141 H LYS 19 H LYS 19 -1.434 9.713 10.635 142 HA LYS 19 HA LYS 19 -0.068 11.546 12.325 143 HB2 LYS 19 2HB LYS 19 -2.319 10.692 12.858 144 HB3 LYS 19 3HB LYS 19 -1.695 9.056 12.997 145 HG2 LYS 19 2HG LYS 19 -2.091 9.990 15.213 146 HG3 LYS 19 3HG LYS 19 -0.363 9.728 14.979 147 HD2 LYS 19 2HD LYS 19 -0.753 11.856 16.118 148 HD3 LYS 19 3HD LYS 19 -0.067 12.149 14.520 149 HE2 LYS 19 2HE LYS 19 -1.868 13.749 15.017 150 HE3 LYS 19 3HE LYS 19 -2.314 12.717 13.660 151 HZ1 LYS 19 1HZ LYS 19 -4.149 13.007 15.180 152 HZ2 LYS 19 2HZ LYS 19 -3.233 12.399 16.464 153 HZ3 LYS 19 3HZ LYS 19 -3.654 11.391 15.180 154 H LYS 20 H LYS 20 0.167 8.014 11.878 155 HA LYS 20 HA LYS 20 2.274 7.435 13.605 156 HB2 LYS 20 2HB LYS 20 0.881 5.675 12.633 157 HB3 LYS 20 3HB LYS 20 1.411 6.088 11.013 158 HG2 LYS 20 2HG LYS 20 2.556 4.101 11.501 159 HG3 LYS 20 3HG LYS 20 3.771 5.347 11.752 160 HD2 LYS 20 2HD LYS 20 2.185 4.002 13.982 161 HD3 LYS 20 3HD LYS 20 3.788 3.501 13.456 162 HE2 LYS 20 2HE LYS 20 4.583 5.851 14.057 163 HE3 LYS 20 3HE LYS 20 3.017 6.087 14.829 164 HZ1 LYS 20 1HZ LYS 20 4.709 5.399 16.400 165 HZ2 LYS 20 2HZ LYS 20 4.983 3.982 15.523 166 HZ3 LYS 20 3HZ LYS 20 3.493 4.227 16.280 167 H ALA 21 H ALA 21 2.288 8.490 10.239 168 HA ALA 21 HA ALA 21 5.006 8.288 9.645 169 HB1 ALA 21 1HB ALA 21 4.554 9.931 7.871 170 HB2 ALA 21 2HB ALA 21 2.996 10.322 8.612 171 HB3 ALA 21 3HB ALA 21 3.282 8.713 7.944 172 H GLU 22 H GLU 22 3.134 11.120 10.781 173 HA GLU 22 HA GLU 22 5.221 12.962 10.969 174 HB2 GLU 22 2HB GLU 22 2.800 13.521 10.968 175 HB3 GLU 22 3HB GLU 22 2.649 12.879 12.601 176 HG2 GLU 22 2HG GLU 22 4.255 14.623 13.389 177 HG3 GLU 22 3HG GLU 22 4.306 15.283 11.754 178 H GLU 23 H GLU 23 3.892 10.798 13.473 179 HA GLU 23 HA GLU 23 5.422 11.569 15.665 180 HB2 GLU 23 2HB GLU 23 4.296 8.833 14.941 181 HB3 GLU 23 3HB GLU 23 4.991 9.216 16.510 182 HG2 GLU 23 2HG GLU 23 2.555 10.565 15.309 183 HG3 GLU 23 3HG GLU 23 2.518 9.274 16.507 184 H GLU 24 H GLU 24 6.157 9.010 13.235 185 HA GLU 24 HA GLU 24 8.769 8.481 14.384 186 HB2 GLU 24 2HB GLU 24 7.603 7.495 11.746 187 HB3 GLU 24 3HB GLU 24 9.018 6.847 12.568 188 HG2 GLU 24 2HG GLU 24 6.126 6.655 13.410 189 HG3 GLU 24 3HG GLU 24 7.207 5.342 12.950 190 H GLY 25 H GLY 25 7.610 10.885 12.318 191 HA2 GLY 25 2HA GLY 25 8.780 12.670 11.419 192 HA3 GLY 25 3HA GLY 25 10.292 11.831 11.721 193 H TYR 26 H TYR 26 7.446 10.884 9.821 194 HA TYR 26 HA TYR 26 9.139 10.488 7.437 195 HB2 TYR 26 2HB TYR 26 6.596 9.004 8.237 196 HB3 TYR 26 3HB TYR 26 7.470 8.763 6.728 197 HD1 TYR 26 HD1 TYR 26 10.319 8.843 7.971 198 HD2 TYR 26 HD2 TYR 26 6.753 6.736 9.055 199 HE1 TYR 26 HE1 TYR 26 11.669 7.062 8.984 200 HE2 TYR 26 HE2 TYR 26 8.119 4.960 10.070 201 HH TYR 26 HH TYR 26 11.384 5.313 10.740 202 H ASP 27 H ASP 27 8.650 11.694 5.738 203 HA ASP 27 HA ASP 27 6.069 13.118 5.573 204 HB2 ASP 27 2HB ASP 27 8.710 13.570 4.107 205 HB3 ASP 27 3HB ASP 27 7.227 14.452 3.752 206 H ILE 28 H ILE 28 5.098 11.024 5.124 207 HA ILE 28 HA ILE 28 5.578 9.669 2.612 208 HB ILE 28 HB ILE 28 3.208 9.421 4.537 209 HG12 ILE 28 2HG1 ILE 28 5.725 7.698 4.366 210 HG13 ILE 28 3HG1 ILE 28 5.380 8.864 5.640 211 HG21 ILE 28 1HG2 ILE 28 2.791 7.235 3.450 212 HG22 ILE 28 2HG2 ILE 28 4.109 7.542 2.319 213 HG23 ILE 28 3HG2 ILE 28 2.669 8.560 2.289 214 HD11 ILE 28 1HD1 ILE 28 3.410 7.528 6.289 215 HD12 ILE 28 2HD1 ILE 28 4.929 6.644 6.413 216 HD13 ILE 28 3HD1 ILE 28 3.844 6.334 5.059 217 H GLN 29 H GLN 29 4.574 10.128 0.643 218 HA GLN 29 HA GLN 29 2.616 12.245 0.426 219 HB2 GLN 29 2HB GLN 29 4.304 11.886 -1.357 220 HB3 GLN 29 3HB GLN 29 3.676 10.266 -1.648 221 HG2 GLN 29 2HG GLN 29 2.911 11.872 -3.356 222 HG3 GLN 29 3HG GLN 29 1.557 11.195 -2.451 223 HE21 GLN 29 1HE2 GLN 29 0.419 12.557 -0.987 224 HE22 GLN 29 2HE2 GLN 29 0.560 14.278 -1.048 225 H THR 30 H THR 30 0.595 11.831 1.075 226 HA THR 30 HA THR 30 -0.530 9.110 0.925 227 HB THR 30 HB THR 30 -2.381 10.220 2.356 228 HG1 THR 30 HG1 THR 30 -2.179 12.281 2.814 229 HG21 THR 30 1HG2 THR 30 -1.050 10.127 4.441 230 HG22 THR 30 2HG2 THR 30 0.444 10.161 3.500 231 HG23 THR 30 3HG2 THR 30 -0.650 8.778 3.377 232 H SER 31 H SER 31 -2.384 8.657 -0.181 233 HA SER 31 HA SER 31 -3.843 10.694 -1.685 234 HB2 SER 31 2HB SER 31 -1.999 9.983 -3.219 235 HB3 SER 31 3HB SER 31 -2.496 8.302 -3.045 236 HG SER 31 HG SER 31 -3.285 9.450 -4.960 237 H ASN 32 H ASN 32 -5.893 10.024 -2.264 238 HA ASN 32 HA ASN 32 -6.923 7.578 -1.009 239 HB2 ASN 32 2HB ASN 32 -7.925 9.732 -0.273 240 HB3 ASN 32 3HB ASN 32 -8.443 10.059 -1.921 241 HD21 ASN 32 1HD2 ASN 32 -8.928 7.965 0.869 242 HD22 ASN 32 2HD2 ASN 32 -10.501 7.417 0.413 243 H ASP 33 H ASP 33 -6.643 9.265 -4.101 244 HA ASP 33 HA ASP 33 -8.503 7.496 -5.489 245 HB2 ASP 33 2HB ASP 33 -8.409 9.892 -6.106 246 HB3 ASP 33 3HB ASP 33 -6.720 9.717 -6.581 247 H LYS 34 H LYS 34 -7.899 5.557 -6.057 248 HA LYS 34 HA LYS 34 -5.246 4.587 -6.167 249 HB2 LYS 34 2HB LYS 34 -6.255 2.444 -6.803 250 HB3 LYS 34 3HB LYS 34 -7.184 3.193 -5.509 251 HG2 LYS 34 2HG LYS 34 -8.883 3.942 -7.140 252 HG3 LYS 34 3HG LYS 34 -7.937 3.228 -8.448 253 HD2 LYS 34 2HD LYS 34 -9.713 1.701 -7.940 254 HD3 LYS 34 3HD LYS 34 -8.217 0.988 -7.346 255 HE2 LYS 34 2HE LYS 34 -9.907 0.598 -5.691 256 HE3 LYS 34 3HE LYS 34 -8.840 1.838 -5.038 257 HZ1 LYS 34 1HZ LYS 34 -11.490 2.305 -6.310 258 HZ2 LYS 34 2HZ LYS 34 -10.470 3.510 -5.707 259 HZ3 LYS 34 3HZ LYS 34 -11.151 2.380 -4.653 260 H LYS 35 H LYS 35 -7.471 5.717 -8.672 261 HA LYS 35 HA LYS 35 -6.204 4.581 -10.948 262 HB2 LYS 35 2HB LYS 35 -8.047 6.981 -10.655 263 HB3 LYS 35 3HB LYS 35 -7.483 6.396 -12.220 264 HG2 LYS 35 2HG LYS 35 -8.554 4.199 -11.779 265 HG3 LYS 35 3HG LYS 35 -9.148 4.812 -10.230 266 HD2 LYS 35 2HD LYS 35 -10.925 4.937 -11.936 267 HD3 LYS 35 3HD LYS 35 -10.452 6.555 -11.418 268 HE2 LYS 35 2HE LYS 35 -8.998 6.726 -13.467 269 HE3 LYS 35 3HE LYS 35 -9.631 5.168 -13.998 270 HZ1 LYS 35 1HZ LYS 35 -11.841 6.131 -14.054 271 HZ2 LYS 35 2HZ LYS 35 -10.786 7.000 -15.042 272 HZ3 LYS 35 3HZ LYS 35 -11.242 7.624 -13.538 273 H GLU 36 H GLU 36 -5.830 7.698 -9.306 274 HA GLU 36 HA GLU 36 -3.965 8.968 -10.970 275 HB2 GLU 36 2HB GLU 36 -5.087 10.111 -9.073 276 HB3 GLU 36 3HB GLU 36 -4.224 9.090 -7.927 277 HG2 GLU 36 2HG GLU 36 -2.066 10.091 -8.925 278 HG3 GLU 36 3HG GLU 36 -3.108 11.285 -9.694 279 H ILE 37 H ILE 37 -3.581 6.726 -8.276 280 HA ILE 37 HA ILE 37 -0.763 6.856 -8.057 281 HB ILE 37 HB ILE 37 -2.793 4.826 -7.043 282 HG12 ILE 37 2HG1 ILE 37 -3.027 7.062 -6.052 283 HG13 ILE 37 3HG1 ILE 37 -2.384 5.956 -4.845 284 HG21 ILE 37 1HG2 ILE 37 -0.669 3.655 -7.208 285 HG22 ILE 37 2HG2 ILE 37 -1.021 3.992 -5.513 286 HG23 ILE 37 3HG2 ILE 37 0.163 4.973 -6.380 287 HD11 ILE 37 1HD1 ILE 37 -0.107 6.885 -5.306 288 HD12 ILE 37 2HD1 ILE 37 -1.260 8.040 -4.651 289 HD13 ILE 37 3HD1 ILE 37 -0.868 8.078 -6.365 290 H ILE 38 H ILE 38 -2.905 4.526 -9.752 291 HA ILE 38 HA ILE 38 -1.022 2.682 -10.696 292 HB ILE 38 HB ILE 38 -3.592 3.693 -12.024 293 HG12 ILE 38 2HG1 ILE 38 -3.087 1.173 -10.366 294 HG13 ILE 38 3HG1 ILE 38 -3.887 2.626 -9.782 295 HG21 ILE 38 1HG2 ILE 38 -3.591 1.652 -13.418 296 HG22 ILE 38 2HG2 ILE 38 -2.021 1.193 -12.764 297 HG23 ILE 38 3HG2 ILE 38 -2.169 2.647 -13.751 298 HD11 ILE 38 1HD1 ILE 38 -4.906 0.802 -11.957 299 HD12 ILE 38 2HD1 ILE 38 -5.703 2.269 -11.381 300 HD13 ILE 38 3HD1 ILE 38 -5.492 0.895 -10.295 301 H ASP 39 H ASP 39 -1.968 5.850 -11.891 302 HA ASP 39 HA ASP 39 -0.526 5.796 -14.362 303 HB2 ASP 39 2HB ASP 39 -2.628 7.136 -13.902 304 HB3 ASP 39 3HB ASP 39 -1.676 8.207 -12.894 305 H ARG 40 H ARG 40 0.146 6.969 -11.104 306 HA ARG 40 HA ARG 40 2.548 8.427 -11.744 307 HB2 ARG 40 2HB ARG 40 1.599 7.312 -9.063 308 HB3 ARG 40 3HB ARG 40 2.889 8.498 -9.281 309 HG2 ARG 40 2HG ARG 40 1.299 10.130 -10.161 310 HG3 ARG 40 3HG ARG 40 0.013 8.939 -10.120 311 HD2 ARG 40 2HD ARG 40 -0.227 10.461 -8.249 312 HD3 ARG 40 3HD ARG 40 0.156 8.844 -7.661 313 HE ARG 40 HE ARG 40 2.583 10.032 -7.766 314 HH11 ARG 40 1HH1 ARG 40 -0.456 11.046 -6.281 315 HH12 ARG 40 2HH1 ARG 40 0.331 11.945 -5.022 316 HH21 ARG 40 1HH2 ARG 40 3.586 11.229 -6.127 317 HH22 ARG 40 2HH2 ARG 40 2.628 12.046 -4.942 318 H LEU 41 H LEU 41 1.776 5.135 -10.836 319 HA LEU 41 HA LEU 41 4.445 4.160 -10.567 320 HB2 LEU 41 2HB LEU 41 1.824 2.745 -11.159 321 HB3 LEU 41 3HB LEU 41 3.331 1.912 -10.820 322 HG LEU 41 HG LEU 41 1.991 3.781 -8.823 323 HD11 LEU 41 1HD1 LEU 41 1.144 1.777 -7.679 324 HD12 LEU 41 2HD1 LEU 41 1.768 0.756 -8.977 325 HD13 LEU 41 3HD1 LEU 41 0.477 1.913 -9.306 326 HD21 LEU 41 1HD2 LEU 41 4.391 3.466 -8.446 327 HD22 LEU 41 2HD2 LEU 41 4.188 1.711 -8.477 328 HD23 LEU 41 3HD2 LEU 41 3.456 2.664 -7.184 329 H LYS 42 H LYS 42 2.186 4.527 -13.320 330 HA LYS 42 HA LYS 42 3.640 3.224 -15.350 331 HB2 LYS 42 2HB LYS 42 2.013 5.789 -15.593 332 HB3 LYS 42 3HB LYS 42 2.572 4.830 -16.959 333 HG2 LYS 42 2HG LYS 42 1.154 2.958 -16.243 334 HG3 LYS 42 3HG LYS 42 0.616 3.892 -14.842 335 HD2 LYS 42 2HD LYS 42 -0.261 5.647 -16.460 336 HD3 LYS 42 3HD LYS 42 0.112 4.533 -17.778 337 HE2 LYS 42 2HE LYS 42 -1.504 2.927 -16.935 338 HE3 LYS 42 3HE LYS 42 -1.773 3.898 -15.486 339 HZ1 LYS 42 1HZ LYS 42 -2.669 5.664 -16.895 340 HZ2 LYS 42 2HZ LYS 42 -3.538 4.228 -17.076 341 HZ3 LYS 42 3HZ LYS 42 -2.443 4.703 -18.270 342 H ARG 43 H ARG 43 4.097 6.337 -13.840 343 HA ARG 43 HA ARG 43 6.160 7.293 -15.636 344 HB2 ARG 43 2HB ARG 43 5.238 8.425 -12.950 345 HB3 ARG 43 3HB ARG 43 6.183 9.272 -14.175 346 HG2 ARG 43 2HG ARG 43 4.308 9.258 -15.723 347 HG3 ARG 43 3HG ARG 43 3.368 8.241 -14.632 348 HD2 ARG 43 2HD ARG 43 3.439 10.125 -12.947 349 HD3 ARG 43 3HD ARG 43 4.190 11.132 -14.191 350 HE ARG 43 HE ARG 43 1.532 9.877 -14.596 351 HH11 ARG 43 1HH1 ARG 43 3.495 12.807 -14.542 352 HH12 ARG 43 2HH1 ARG 43 2.225 13.800 -15.182 353 HH21 ARG 43 1HH2 ARG 43 -0.104 11.186 -15.441 354 HH22 ARG 43 2HH2 ARG 43 0.188 12.878 -15.689 355 H ARG 44 H ARG 44 6.143 5.069 -13.139 356 HA ARG 44 HA ARG 44 7.650 4.031 -11.798 357 HB2 ARG 44 2HB ARG 44 9.620 5.284 -13.759 358 HB3 ARG 44 3HB ARG 44 10.137 4.232 -12.450 359 HG2 ARG 44 2HG ARG 44 10.058 2.923 -14.458 360 HG3 ARG 44 3HG ARG 44 8.738 2.397 -13.418 361 HD2 ARG 44 2HD ARG 44 7.126 3.628 -14.775 362 HD3 ARG 44 3HD ARG 44 8.428 4.310 -15.751 363 HE ARG 44 HE ARG 44 8.046 1.391 -15.686 364 HH11 ARG 44 1HH1 ARG 44 7.904 4.389 -17.527 365 HH12 ARG 44 2HH1 ARG 44 7.753 3.574 -19.056 366 HH21 ARG 44 1HH2 ARG 44 7.775 0.346 -17.657 367 HH22 ARG 44 2HH2 ARG 44 7.679 1.272 -19.127 368 H ASN 45 H ASN 45 6.650 6.593 -11.045 369 HA ASN 45 HA ASN 45 8.777 8.347 -10.198 370 HB2 ASN 45 2HB ASN 45 6.603 9.119 -11.198 371 HB3 ASN 45 3HB ASN 45 5.769 8.573 -9.748 372 HD21 ASN 45 1HD2 ASN 45 7.987 10.937 -11.060 373 HD22 ASN 45 2HD2 ASN 45 7.834 12.064 -9.771 374 H ILE 46 H ILE 46 7.196 5.713 -8.789 375 HA ILE 46 HA ILE 46 7.488 6.692 -6.005 376 HB ILE 46 HB ILE 46 5.691 4.446 -7.042 377 HG12 ILE 46 2HG1 ILE 46 5.004 7.323 -6.253 378 HG13 ILE 46 3HG1 ILE 46 4.897 6.637 -7.869 379 HG21 ILE 46 1HG2 ILE 46 4.683 4.500 -4.783 380 HG22 ILE 46 2HG2 ILE 46 5.841 5.733 -4.286 381 HG23 ILE 46 3HG2 ILE 46 6.402 4.112 -4.700 382 HD11 ILE 46 1HD1 ILE 46 2.716 6.854 -6.899 383 HD12 ILE 46 2HD1 ILE 46 3.202 5.913 -5.491 384 HD13 ILE 46 3HD1 ILE 46 3.104 5.143 -7.078 385 H ASP 47 H ASP 47 8.864 5.617 -4.650 386 HA ASP 47 HA ASP 47 10.599 3.514 -5.754 387 HB2 ASP 47 2HB ASP 47 11.750 5.345 -4.649 388 HB3 ASP 47 3HB ASP 47 10.747 5.193 -3.213 389 H MET 48 H MET 48 8.403 4.079 -3.080 390 HA MET 48 HA MET 48 7.825 1.239 -2.852 391 HB2 MET 48 2HB MET 48 7.954 1.368 -0.338 392 HB3 MET 48 3HB MET 48 9.510 1.414 -1.146 393 HG2 MET 48 2HG MET 48 9.826 3.704 -0.634 394 HG3 MET 48 3HG MET 48 8.125 3.937 -0.234 395 HE1 MET 48 1HE MET 48 10.804 1.327 2.485 396 HE2 MET 48 2HE MET 48 11.383 1.927 0.931 397 HE3 MET 48 3HE MET 48 10.074 0.742 0.992 398 H ILE 49 H ILE 49 5.742 0.875 -2.331 399 HA ILE 49 HA ILE 49 3.961 3.157 -1.789 400 HB ILE 49 HB ILE 49 3.883 2.905 -4.194 401 HG12 ILE 49 2HG1 ILE 49 1.438 1.631 -2.885 402 HG13 ILE 49 3HG1 ILE 49 1.688 3.339 -3.232 403 HG21 ILE 49 1HG2 ILE 49 4.859 0.655 -4.392 404 HG22 ILE 49 2HG2 ILE 49 3.397 0.805 -5.367 405 HG23 ILE 49 3HG2 ILE 49 3.344 -0.057 -3.828 406 HD11 ILE 49 1HD1 ILE 49 1.297 1.133 -5.248 407 HD12 ILE 49 2HD1 ILE 49 1.627 2.823 -5.641 408 HD13 ILE 49 3HD1 ILE 49 0.143 2.387 -4.795 409 H ILE 50 H ILE 50 2.257 2.656 -0.481 410 HA ILE 50 HA ILE 50 1.895 -0.160 0.407 411 HB ILE 50 HB ILE 50 1.805 2.333 2.189 412 HG12 ILE 50 2HG1 ILE 50 3.936 0.135 2.065 413 HG13 ILE 50 3HG1 ILE 50 4.136 1.781 1.481 414 HG21 ILE 50 1HG2 ILE 50 0.249 0.599 2.951 415 HG22 ILE 50 2HG2 ILE 50 1.613 0.710 4.061 416 HG23 ILE 50 3HG2 ILE 50 1.533 -0.614 2.900 417 HD11 ILE 50 1HD1 ILE 50 3.887 2.613 3.769 418 HD12 ILE 50 2HD1 ILE 50 5.230 1.486 3.590 419 HD13 ILE 50 3HD1 ILE 50 3.731 0.949 4.345 420 H VAL 51 H VAL 51 -0.057 -0.700 -0.365 421 HA VAL 51 HA VAL 51 -2.214 1.302 -0.648 422 HB VAL 51 HB VAL 51 -1.957 -1.481 -1.899 423 HG11 VAL 51 1HG1 VAL 51 -3.858 -0.816 -3.338 424 HG12 VAL 51 2HG1 VAL 51 -4.009 0.702 -2.450 425 HG13 VAL 51 3HG1 VAL 51 -4.323 -0.832 -1.635 426 HG21 VAL 51 1HG2 VAL 51 -1.543 -0.240 -4.015 427 HG22 VAL 51 2HG2 VAL 51 -0.274 0.021 -2.818 428 HG23 VAL 51 3HG2 VAL 51 -1.492 1.269 -3.105 429 H LYS 52 H LYS 52 -4.014 1.165 0.567 430 HA LYS 52 HA LYS 52 -4.686 -1.358 1.952 431 HB2 LYS 52 2HB LYS 52 -3.975 0.164 3.671 432 HB3 LYS 52 3HB LYS 52 -4.877 1.502 2.970 433 HG2 LYS 52 2HG LYS 52 -5.922 0.614 5.030 434 HG3 LYS 52 3HG LYS 52 -6.985 0.508 3.627 435 HD2 LYS 52 2HD LYS 52 -6.475 -1.895 3.410 436 HD3 LYS 52 3HD LYS 52 -5.377 -1.805 4.791 437 HE2 LYS 52 2HE LYS 52 -7.188 -1.369 6.303 438 HE3 LYS 52 3HE LYS 52 -8.321 -1.088 4.978 439 HZ1 LYS 52 1HZ LYS 52 -8.167 -3.383 4.371 440 HZ2 LYS 52 2HZ LYS 52 -8.594 -3.262 5.999 441 HZ3 LYS 52 3HZ LYS 52 -7.015 -3.680 5.563 442 H THR 53 H THR 53 -6.194 -2.143 0.677 443 HA THR 53 HA THR 53 -8.840 -1.168 0.782 444 HB THR 53 HB THR 53 -8.154 0.263 -1.149 445 HG1 THR 53 HG1 THR 53 -10.239 -0.233 -1.383 446 HG21 THR 53 1HG2 THR 53 -7.560 -2.332 -2.626 447 HG22 THR 53 2HG2 THR 53 -6.358 -1.146 -2.114 448 HG23 THR 53 3HG2 THR 53 -7.560 -0.709 -3.327 449 H GLU 54 H GLU 54 -10.310 -2.775 -0.245 450 HA GLU 54 HA GLU 54 -9.136 -5.490 -0.135 451 HB2 GLU 54 2HB GLU 54 -11.941 -4.447 0.390 452 HB3 GLU 54 3HB GLU 54 -11.634 -6.157 0.112 453 HG2 GLU 54 2HG GLU 54 -11.787 -5.740 2.477 454 HG3 GLU 54 3HG GLU 54 -10.134 -6.208 2.076 455 H ASP 55 H ASP 55 -10.131 -3.243 -2.438 456 HA ASP 55 HA ASP 55 -11.695 -4.900 -4.176 457 HB2 ASP 55 2HB ASP 55 -11.774 -2.364 -4.151 458 HB3 ASP 55 3HB ASP 55 -10.185 -2.345 -4.911 459 H LYS 56 H LYS 56 -10.702 -6.729 -4.688 460 HA LYS 56 HA LYS 56 -7.977 -7.267 -4.856 461 HB2 LYS 56 2HB LYS 56 -10.264 -8.834 -6.124 462 HB3 LYS 56 3HB LYS 56 -8.658 -9.465 -5.757 463 HG2 LYS 56 2HG LYS 56 -9.041 -9.153 -3.364 464 HG3 LYS 56 3HG LYS 56 -10.614 -8.423 -3.684 465 HD2 LYS 56 2HD LYS 56 -10.911 -10.733 -2.971 466 HD3 LYS 56 3HD LYS 56 -11.393 -10.576 -4.660 467 HE2 LYS 56 2HE LYS 56 -9.200 -11.527 -5.348 468 HE3 LYS 56 3HE LYS 56 -8.761 -11.712 -3.647 469 HZ1 LYS 56 1HZ LYS 56 -11.041 -13.038 -5.014 470 HZ2 LYS 56 2HZ LYS 56 -10.666 -13.181 -3.374 471 HZ3 LYS 56 3HZ LYS 56 -9.592 -13.771 -4.534 472 H GLU 57 H GLU 57 -10.224 -6.327 -7.352 473 HA GLU 57 HA GLU 57 -8.745 -7.093 -9.653 474 HB2 GLU 57 2HB GLU 57 -10.951 -5.007 -9.349 475 HB3 GLU 57 3HB GLU 57 -10.407 -5.703 -10.877 476 HG2 GLU 57 2HG GLU 57 -11.209 -7.903 -10.225 477 HG3 GLU 57 3HG GLU 57 -11.617 -7.320 -8.613 478 H SER 58 H SER 58 -9.115 -3.999 -7.903 479 HA SER 58 HA SER 58 -7.433 -2.488 -9.671 480 HB2 SER 58 2HB SER 58 -7.626 -0.694 -7.998 481 HB3 SER 58 3HB SER 58 -9.202 -1.413 -8.323 482 HG SER 58 HG SER 58 -9.062 -2.516 -6.394 483 H ILE 59 H ILE 59 -6.986 -4.004 -6.465 484 HA ILE 59 HA ILE 59 -4.416 -3.271 -5.781 485 HB ILE 59 HB ILE 59 -5.773 -5.985 -5.385 486 HG12 ILE 59 2HG1 ILE 59 -5.427 -3.663 -3.422 487 HG13 ILE 59 3HG1 ILE 59 -6.910 -4.028 -4.294 488 HG21 ILE 59 1HG2 ILE 59 -4.113 -6.428 -3.597 489 HG22 ILE 59 2HG2 ILE 59 -3.250 -4.955 -4.043 490 HG23 ILE 59 3HG2 ILE 59 -3.352 -6.294 -5.185 491 HD11 ILE 59 1HD1 ILE 59 -7.026 -6.205 -3.138 492 HD12 ILE 59 2HD1 ILE 59 -7.066 -4.830 -2.037 493 HD13 ILE 59 3HD1 ILE 59 -5.584 -5.768 -2.215 494 H SER 60 H SER 60 -5.415 -6.050 -7.777 495 HA SER 60 HA SER 60 -3.031 -7.166 -8.547 496 HB2 SER 60 2HB SER 60 -5.160 -8.181 -9.124 497 HB3 SER 60 3HB SER 60 -5.603 -6.804 -10.130 498 HG SER 60 HG SER 60 -4.472 -7.597 -11.717 499 H GLU 61 H GLU 61 -4.702 -4.381 -10.041 500 HA GLU 61 HA GLU 61 -2.922 -4.069 -12.223 501 HB2 GLU 61 2HB GLU 61 -4.857 -2.049 -11.012 502 HB3 GLU 61 3HB GLU 61 -4.054 -1.876 -12.571 503 HG2 GLU 61 2HG GLU 61 -6.113 -3.954 -11.790 504 HG3 GLU 61 3HG GLU 61 -6.311 -2.641 -12.947 505 H ILE 62 H ILE 62 -3.136 -2.367 -9.055 506 HA ILE 62 HA ILE 62 -1.048 -0.561 -9.309 507 HB ILE 62 HB ILE 62 -2.151 -2.015 -6.888 508 HG12 ILE 62 2HG1 ILE 62 -2.485 0.435 -6.091 509 HG13 ILE 62 3HG1 ILE 62 -2.006 0.928 -7.707 510 HG21 ILE 62 1HG2 ILE 62 -0.596 -0.817 -5.366 511 HG22 ILE 62 2HG2 ILE 62 0.325 -0.259 -6.758 512 HG23 ILE 62 3HG2 ILE 62 0.241 -1.983 -6.390 513 HD11 ILE 62 1HD1 ILE 62 -4.397 -0.753 -7.001 514 HD12 ILE 62 2HD1 ILE 62 -3.928 -0.255 -8.628 515 HD13 ILE 62 3HD1 ILE 62 -4.397 0.957 -7.435 516 H ILE 63 H ILE 63 -0.853 -3.936 -8.120 517 HA ILE 63 HA ILE 63 1.896 -4.051 -7.589 518 HB ILE 63 HB ILE 63 0.120 -6.384 -8.442 519 HG12 ILE 63 2HG1 ILE 63 0.671 -5.400 -5.600 520 HG13 ILE 63 3HG1 ILE 63 -0.794 -5.025 -6.503 521 HG21 ILE 63 1HG2 ILE 63 2.521 -6.964 -8.468 522 HG22 ILE 63 2HG2 ILE 63 1.698 -7.795 -7.149 523 HG23 ILE 63 3HG2 ILE 63 2.698 -6.379 -6.812 524 HD11 ILE 63 1HD1 ILE 63 -1.318 -7.403 -6.642 525 HD12 ILE 63 2HD1 ILE 63 -1.169 -6.847 -4.976 526 HD13 ILE 63 3HD1 ILE 63 0.137 -7.773 -5.715 527 H LYS 64 H LYS 64 0.089 -4.859 -10.561 528 HA LYS 64 HA LYS 64 2.146 -5.910 -12.143 529 HB2 LYS 64 2HB LYS 64 -0.351 -4.342 -12.896 530 HB3 LYS 64 3HB LYS 64 0.708 -5.078 -14.099 531 HG2 LYS 64 2HG LYS 64 0.195 -7.283 -13.366 532 HG3 LYS 64 3HG LYS 64 -0.554 -6.700 -11.879 533 HD2 LYS 64 2HD LYS 64 -2.240 -7.460 -13.519 534 HD3 LYS 64 3HD LYS 64 -2.416 -5.747 -13.139 535 HE2 LYS 64 2HE LYS 64 -1.295 -5.157 -15.258 536 HE3 LYS 64 3HE LYS 64 -1.086 -6.871 -15.632 537 HZ1 LYS 64 1HZ LYS 64 -3.706 -5.514 -15.265 538 HZ2 LYS 64 2HZ LYS 64 -3.464 -7.127 -15.699 539 HZ3 LYS 64 3HZ LYS 64 -3.005 -5.898 -16.757 540 H GLN 65 H GLN 65 1.076 -2.537 -11.719 541 HA GLN 65 HA GLN 65 2.915 -1.342 -13.520 542 HB2 GLN 65 2HB GLN 65 1.720 -0.041 -11.040 543 HB3 GLN 65 3HB GLN 65 2.360 0.776 -12.460 544 HG2 GLN 65 2HG GLN 65 -0.173 -0.848 -12.268 545 HG3 GLN 65 3HG GLN 65 -0.038 0.890 -12.496 546 HE21 GLN 65 1HE2 GLN 65 0.647 1.666 -14.520 547 HE22 GLN 65 2HE2 GLN 65 0.515 0.710 -15.954 548 H VAL 66 H VAL 66 3.085 -2.076 -10.049 549 HA VAL 66 HA VAL 66 5.489 -0.684 -9.464 550 HB VAL 66 HB VAL 66 4.218 -3.023 -7.957 551 HG11 VAL 66 1HG1 VAL 66 6.242 -0.971 -6.994 552 HG12 VAL 66 2HG1 VAL 66 6.585 -2.667 -7.328 553 HG13 VAL 66 3HG1 VAL 66 5.503 -2.229 -6.012 554 HG21 VAL 66 1HG2 VAL 66 3.903 -0.034 -7.493 555 HG22 VAL 66 2HG2 VAL 66 3.181 -1.316 -6.516 556 HG23 VAL 66 3HG2 VAL 66 2.683 -1.094 -8.192 557 H LEU 67 H LEU 67 4.809 -4.048 -10.411 558 HA LEU 67 HA LEU 67 7.410 -5.115 -10.021 559 HB2 LEU 67 2HB LEU 67 5.155 -6.050 -11.847 560 HB3 LEU 67 3HB LEU 67 6.619 -6.972 -11.540 561 HG LEU 67 HG LEU 67 4.541 -6.244 -9.431 562 HD11 LEU 67 1HD1 LEU 67 3.670 -7.869 -11.032 563 HD12 LEU 67 2HD1 LEU 67 3.932 -8.613 -9.458 564 HD13 LEU 67 3HD1 LEU 67 5.075 -8.909 -10.773 565 HD21 LEU 67 1HD2 LEU 67 5.734 -7.806 -7.954 566 HD22 LEU 67 2HD2 LEU 67 6.765 -6.456 -8.421 567 HD23 LEU 67 3HD2 LEU 67 6.984 -8.035 -9.180 568 H ASP 68 H ASP 68 5.721 -3.669 -12.764 569 HA ASP 68 HA ASP 68 7.694 -3.841 -14.767 570 HB2 ASP 68 2HB ASP 68 5.392 -3.236 -15.336 571 HB3 ASP 68 3HB ASP 68 5.453 -1.804 -14.318 572 H SER 69 H SER 69 7.136 -1.475 -12.178 573 HA SER 69 HA SER 69 9.131 0.406 -13.059 574 HB2 SER 69 2HB SER 69 7.562 0.185 -10.453 575 HB3 SER 69 3HB SER 69 8.611 1.542 -10.880 576 HG SER 69 HG SER 69 6.277 0.687 -12.243 577 H GLY 70 H GLY 70 9.067 -2.390 -10.969 578 HA2 GLY 70 2HA GLY 70 10.724 -3.508 -9.835 579 HA3 GLY 70 3HA GLY 70 11.898 -2.342 -10.428 580 H ALA 71 H ALA 71 8.965 -1.571 -8.631 581 HA ALA 71 HA ALA 71 10.565 -0.315 -6.489 582 HB1 ALA 71 1HB ALA 71 7.659 0.084 -7.295 583 HB2 ALA 71 2HB ALA 71 9.003 1.167 -7.655 584 HB3 ALA 71 3HB ALA 71 8.478 0.941 -5.986 585 H LYS 72 H LYS 72 9.433 -0.390 -4.257 586 HA LYS 72 HA LYS 72 8.658 -3.141 -3.568 587 HB2 LYS 72 2HB LYS 72 9.310 -0.703 -1.846 588 HB3 LYS 72 3HB LYS 72 8.653 -2.185 -1.175 589 HG2 LYS 72 2HG LYS 72 10.990 -2.258 -0.800 590 HG3 LYS 72 3HG LYS 72 10.642 -3.417 -2.077 591 HD2 LYS 72 2HD LYS 72 12.676 -2.213 -2.642 592 HD3 LYS 72 3HD LYS 72 11.405 -1.713 -3.761 593 HE2 LYS 72 2HE LYS 72 11.049 0.343 -2.391 594 HE3 LYS 72 3HE LYS 72 12.361 -0.164 -1.323 595 HZ1 LYS 72 1HZ LYS 72 13.882 -0.034 -3.194 596 HZ2 LYS 72 2HZ LYS 72 13.110 1.446 -2.941 597 HZ3 LYS 72 3HZ LYS 72 12.627 0.452 -4.216 598 H VAL 73 H VAL 73 6.637 -3.680 -2.689 599 HA VAL 73 HA VAL 73 4.552 -1.615 -2.464 600 HB VAL 73 HB VAL 73 4.257 -2.264 -4.750 601 HG11 VAL 73 1HG1 VAL 73 4.278 -5.178 -3.907 602 HG12 VAL 73 2HG1 VAL 73 5.522 -4.340 -4.832 603 HG13 VAL 73 3HG1 VAL 73 3.922 -4.589 -5.535 604 HG21 VAL 73 1HG2 VAL 73 2.158 -1.994 -3.491 605 HG22 VAL 73 2HG2 VAL 73 2.136 -3.722 -3.126 606 HG23 VAL 73 3HG2 VAL 73 1.968 -3.168 -4.795 607 H LEU 74 H LEU 74 3.320 -1.938 -0.737 608 HA LEU 74 HA LEU 74 3.175 -4.594 0.557 609 HB2 LEU 74 2HB LEU 74 4.272 -2.818 1.921 610 HB3 LEU 74 3HB LEU 74 2.833 -1.826 1.787 611 HG LEU 74 HG LEU 74 1.538 -3.501 3.081 612 HD11 LEU 74 1HD1 LEU 74 2.699 -5.543 2.440 613 HD12 LEU 74 2HD1 LEU 74 2.632 -5.393 4.194 614 HD13 LEU 74 3HD1 LEU 74 4.135 -5.039 3.338 615 HD21 LEU 74 1HD2 LEU 74 2.575 -3.140 5.275 616 HD22 LEU 74 2HD2 LEU 74 2.626 -1.676 4.298 617 HD23 LEU 74 3HD2 LEU 74 4.084 -2.650 4.497 618 H ILE 75 H ILE 75 1.249 -5.506 0.285 619 HA ILE 75 HA ILE 75 -1.131 -3.888 -0.300 620 HB ILE 75 HB ILE 75 -0.621 -6.879 -0.622 621 HG12 ILE 75 2HG1 ILE 75 0.556 -5.615 -2.330 622 HG13 ILE 75 3HG1 ILE 75 -0.857 -6.334 -3.088 623 HG21 ILE 75 1HG2 ILE 75 -2.839 -6.991 -1.736 624 HG22 ILE 75 2HG2 ILE 75 -3.140 -5.308 -1.303 625 HG23 ILE 75 3HG2 ILE 75 -2.983 -6.528 -0.038 626 HD11 ILE 75 1HD1 ILE 75 -0.533 -3.445 -2.262 627 HD12 ILE 75 2HD1 ILE 75 -2.006 -4.140 -2.944 628 HD13 ILE 75 3HD1 ILE 75 -0.525 -4.095 -3.901 629 H LEU 76 H LEU 76 -2.469 -3.489 1.265 630 HA LEU 76 HA LEU 76 -2.618 -5.199 3.666 631 HB2 LEU 76 2HB LEU 76 -3.124 -2.199 3.405 632 HB3 LEU 76 3HB LEU 76 -3.293 -3.135 4.886 633 HG LEU 76 HG LEU 76 -0.683 -2.648 3.386 634 HD11 LEU 76 1HD1 LEU 76 -1.464 -0.633 4.530 635 HD12 LEU 76 2HD1 LEU 76 -0.022 -1.287 5.304 636 HD13 LEU 76 3HD1 LEU 76 -1.607 -1.529 6.045 637 HD21 LEU 76 1HD2 LEU 76 -0.661 -4.843 4.436 638 HD22 LEU 76 2HD2 LEU 76 -1.172 -4.148 5.977 639 HD23 LEU 76 3HD2 LEU 76 0.411 -3.745 5.304 640 H SER 77 H SER 77 -4.458 -6.277 3.764 641 HA SER 77 HA SER 77 -6.995 -5.078 2.892 642 HB2 SER 77 2HB SER 77 -6.113 -7.897 2.088 643 HB3 SER 77 3HB SER 77 -7.676 -7.156 1.735 644 HG SER 77 HG SER 77 -6.207 -5.464 0.688 645 H SER 78 H SER 78 -8.759 -5.822 4.116 646 HA SER 78 HA SER 78 -8.111 -6.597 6.789 647 HB2 SER 78 2HB SER 78 -10.617 -6.500 7.111 648 HB3 SER 78 3HB SER 78 -9.922 -5.040 6.411 649 HG SER 78 HG SER 78 -11.457 -5.355 4.993 650 H ASP 79 H ASP 79 -9.399 -8.238 3.981 651 HA ASP 79 HA ASP 79 -10.046 -10.683 5.424 652 HB2 ASP 79 2HB ASP 79 -11.533 -9.773 3.630 653 HB3 ASP 79 3HB ASP 79 -10.247 -10.024 2.457 654 H GLU 80 H GLU 80 -8.722 -12.346 5.607 655 HA GLU 80 HA GLU 80 -5.987 -12.203 4.818 656 HB2 GLU 80 2HB GLU 80 -5.769 -14.375 6.022 657 HB3 GLU 80 3HB GLU 80 -6.590 -13.142 6.970 658 HG2 GLU 80 2HG GLU 80 -8.785 -14.198 6.376 659 HG3 GLU 80 3HG GLU 80 -7.905 -15.467 5.526 660 H ASN 81 H ASN 81 -8.767 -13.688 3.319 661 HA ASN 81 HA ASN 81 -7.242 -15.602 1.745 662 HB2 ASN 81 2HB ASN 81 -10.175 -14.760 1.677 663 HB3 ASN 81 3HB ASN 81 -9.484 -15.891 0.516 664 HD21 ASN 81 1HD2 ASN 81 -10.217 -15.393 3.917 665 HD22 ASN 81 2HD2 ASN 81 -10.207 -17.067 4.347 666 H ILE 82 H ILE 82 -8.565 -12.322 1.358 667 HA ILE 82 HA ILE 82 -7.943 -11.929 -1.380 668 HB ILE 82 HB ILE 82 -7.943 -9.889 0.905 669 HG12 ILE 82 2HG1 ILE 82 -10.029 -10.533 -1.235 670 HG13 ILE 82 3HG1 ILE 82 -10.160 -10.897 0.482 671 HG21 ILE 82 1HG2 ILE 82 -8.002 -8.113 -0.837 672 HG22 ILE 82 2HG2 ILE 82 -7.782 -9.338 -2.087 673 HG23 ILE 82 3HG2 ILE 82 -6.503 -9.044 -0.910 674 HD11 ILE 82 1HD1 ILE 82 -10.110 -8.156 -0.767 675 HD12 ILE 82 2HD1 ILE 82 -10.180 -8.491 0.965 676 HD13 ILE 82 3HD1 ILE 82 -11.507 -8.988 -0.082 677 H ILE 83 H ILE 83 -6.068 -11.219 1.598 678 HA ILE 83 HA ILE 83 -3.620 -10.497 0.517 679 HB ILE 83 HB ILE 83 -4.231 -12.047 3.072 680 HG12 ILE 83 2HG1 ILE 83 -5.149 -9.735 2.960 681 HG13 ILE 83 3HG1 ILE 83 -3.907 -9.861 4.197 682 HG21 ILE 83 1HG2 ILE 83 -1.560 -10.833 2.291 683 HG22 ILE 83 2HG2 ILE 83 -1.904 -12.550 2.498 684 HG23 ILE 83 3HG2 ILE 83 -1.961 -11.464 3.888 685 HD11 ILE 83 1HD1 ILE 83 -3.556 -8.635 1.450 686 HD12 ILE 83 2HD1 ILE 83 -2.299 -8.765 2.687 687 HD13 ILE 83 3HD1 ILE 83 -3.726 -7.772 2.979 688 H GLU 84 H GLU 84 -4.830 -13.805 1.161 689 HA GLU 84 HA GLU 84 -2.533 -15.260 0.450 690 HB2 GLU 84 2HB GLU 84 -4.410 -16.278 1.679 691 HB3 GLU 84 3HB GLU 84 -5.465 -16.077 0.285 692 HG2 GLU 84 2HG GLU 84 -4.777 -18.393 0.427 693 HG3 GLU 84 3HG GLU 84 -4.042 -17.669 -1.000 694 H SER 85 H SER 85 -5.385 -14.295 -1.515 695 HA SER 85 HA SER 85 -4.696 -15.525 -3.923 696 HB2 SER 85 2HB SER 85 -6.283 -12.966 -3.467 697 HB3 SER 85 3HB SER 85 -6.245 -13.873 -4.985 698 HG SER 85 HG SER 85 -7.062 -14.965 -2.499 699 H ILE 86 H ILE 86 -3.795 -12.392 -2.592 700 HA ILE 86 HA ILE 86 -2.511 -11.333 -4.896 701 HB ILE 86 HB ILE 86 -2.318 -10.583 -1.944 702 HG12 ILE 86 2HG1 ILE 86 -4.573 -10.238 -2.767 703 HG13 ILE 86 3HG1 ILE 86 -3.821 -8.659 -2.642 704 HG21 ILE 86 1HG2 ILE 86 -0.315 -9.744 -3.046 705 HG22 ILE 86 2HG2 ILE 86 -1.395 -8.405 -2.665 706 HG23 ILE 86 3HG2 ILE 86 -1.288 -9.008 -4.319 707 HD11 ILE 86 1HD1 ILE 86 -4.289 -10.228 -5.183 708 HD12 ILE 86 2HD1 ILE 86 -3.471 -8.665 -5.092 709 HD13 ILE 86 3HD1 ILE 86 -5.167 -8.802 -4.633 710 H ARG 87 H ARG 87 -1.367 -13.275 -2.157 711 HA ARG 87 HA ARG 87 1.438 -13.044 -2.682 712 HB2 ARG 87 2HB ARG 87 0.011 -15.319 -1.234 713 HB3 ARG 87 3HB ARG 87 1.732 -14.949 -1.157 714 HG2 ARG 87 2HG ARG 87 1.070 -12.709 -0.142 715 HG3 ARG 87 3HG ARG 87 -0.562 -13.358 -0.006 716 HD2 ARG 87 2HD ARG 87 1.943 -14.427 1.318 717 HD3 ARG 87 3HD ARG 87 0.591 -13.615 2.107 718 HE ARG 87 HE ARG 87 -0.325 -15.959 0.787 719 HH11 ARG 87 1HH1 ARG 87 1.534 -14.988 3.633 720 HH12 ARG 87 2HH1 ARG 87 1.138 -16.430 4.519 721 HH21 ARG 87 1HH2 ARG 87 -0.767 -17.865 1.949 722 HH22 ARG 87 2HH2 ARG 87 -0.162 -18.058 3.568 723 H LYS 88 H LYS 88 -1.042 -15.423 -3.663 724 HA LYS 88 HA LYS 88 0.870 -17.267 -4.782 725 HB2 LYS 88 2HB LYS 88 -1.079 -18.597 -5.478 726 HB3 LYS 88 3HB LYS 88 -1.211 -18.102 -3.796 727 HG2 LYS 88 2HG LYS 88 -2.793 -16.324 -4.442 728 HG3 LYS 88 3HG LYS 88 -2.679 -16.828 -6.127 729 HD2 LYS 88 2HD LYS 88 -3.755 -18.515 -3.827 730 HD3 LYS 88 3HD LYS 88 -4.726 -17.703 -5.056 731 HE2 LYS 88 2HE LYS 88 -3.610 -19.119 -6.804 732 HE3 LYS 88 3HE LYS 88 -2.768 -19.983 -5.514 733 HZ1 LYS 88 1HZ LYS 88 -5.716 -19.841 -5.864 734 HZ2 LYS 88 2HZ LYS 88 -4.909 -20.670 -4.631 735 HZ3 LYS 88 3HZ LYS 88 -4.734 -21.169 -6.235 736 H GLN 89 H GLN 89 -1.298 -14.780 -6.116 737 HA GLN 89 HA GLN 89 -0.738 -15.223 -8.866 738 HB2 GLN 89 2HB GLN 89 -1.604 -12.703 -7.388 739 HB3 GLN 89 3HB GLN 89 -1.525 -12.823 -9.143 740 HG2 GLN 89 2HG GLN 89 -3.278 -14.509 -9.158 741 HG3 GLN 89 3HG GLN 89 -3.283 -14.559 -7.394 742 HE21 GLN 89 1HE2 GLN 89 -5.468 -13.995 -7.287 743 HE22 GLN 89 2HE2 GLN 89 -6.037 -12.403 -7.631 744 H TYR 90 H TYR 90 0.647 -12.976 -6.465 745 HA TYR 90 HA TYR 90 3.014 -12.515 -8.208 746 HB2 TYR 90 2HB TYR 90 1.760 -10.466 -6.317 747 HB3 TYR 90 3HB TYR 90 3.071 -10.192 -7.460 748 HD1 TYR 90 HD1 TYR 90 2.545 -10.324 -9.970 749 HD2 TYR 90 HD2 TYR 90 -0.530 -10.171 -6.998 750 HE1 TYR 90 HE1 TYR 90 0.929 -9.631 -11.675 751 HE2 TYR 90 HE2 TYR 90 -2.152 -9.488 -8.723 752 HH TYR 90 HH TYR 90 -2.150 -8.416 -10.935 753 HA PRO 91 HA PRO 91 4.495 -14.219 -4.140 754 HB2 PRO 91 2HB PRO 91 6.720 -15.521 -5.123 755 HB3 PRO 91 3HB PRO 91 5.092 -16.228 -5.129 756 HG2 PRO 91 2HG PRO 91 6.571 -14.900 -7.374 757 HG3 PRO 91 3HG PRO 91 5.566 -16.366 -7.399 758 HD2 PRO 91 2HD PRO 91 4.645 -13.937 -8.252 759 HD3 PRO 91 3HD PRO 91 3.582 -15.167 -7.532 760 H LYS 92 H LYS 92 5.914 -12.021 -6.414 761 HA LYS 92 HA LYS 92 8.195 -11.322 -4.778 762 HB2 LYS 92 2HB LYS 92 7.046 -9.939 -7.241 763 HB3 LYS 92 3HB LYS 92 8.536 -9.473 -6.436 764 HG2 LYS 92 2HG LYS 92 9.345 -10.725 -8.210 765 HG3 LYS 92 3HG LYS 92 9.304 -11.924 -6.921 766 HD2 LYS 92 2HD LYS 92 8.442 -12.949 -8.928 767 HD3 LYS 92 3HD LYS 92 7.087 -12.721 -7.819 768 HE2 LYS 92 2HE LYS 92 6.330 -10.772 -9.077 769 HE3 LYS 92 3HE LYS 92 7.759 -10.840 -10.114 770 HZ1 LYS 92 1HZ LYS 92 5.886 -11.808 -11.228 771 HZ2 LYS 92 2HZ LYS 92 5.613 -12.887 -9.961 772 HZ3 LYS 92 3HZ LYS 92 7.017 -13.016 -10.895 773 H VAL 93 H VAL 93 4.877 -10.436 -4.638 774 HA VAL 93 HA VAL 93 5.250 -7.680 -3.824 775 HB VAL 93 HB VAL 93 3.134 -8.546 -4.949 776 HG11 VAL 93 1HG1 VAL 93 2.886 -10.635 -3.641 777 HG12 VAL 93 2HG1 VAL 93 1.414 -9.674 -3.648 778 HG13 VAL 93 3HG1 VAL 93 2.454 -9.687 -2.224 779 HG21 VAL 93 1HG2 VAL 93 2.706 -7.108 -2.307 780 HG22 VAL 93 2HG2 VAL 93 1.558 -7.150 -3.648 781 HG23 VAL 93 3HG2 VAL 93 3.117 -6.356 -3.848 782 H GLU 94 H GLU 94 5.037 -6.837 -1.691 783 HA GLU 94 HA GLU 94 5.329 -8.721 0.548 784 HB2 GLU 94 2HB GLU 94 5.192 -5.679 0.733 785 HB3 GLU 94 3HB GLU 94 5.825 -6.805 1.929 786 HG2 GLU 94 2HG GLU 94 7.067 -5.984 -0.701 787 HG3 GLU 94 3HG GLU 94 7.679 -5.689 0.925 788 H THR 95 H THR 95 3.602 -9.213 1.863 789 HA THR 95 HA THR 95 1.058 -7.701 1.567 790 HB THR 95 HB THR 95 -0.110 -9.953 1.849 791 HG1 THR 95 HG1 THR 95 2.563 -10.842 1.498 792 HG21 THR 95 1HG2 THR 95 0.099 -10.637 -0.505 793 HG22 THR 95 2HG2 THR 95 1.546 -9.642 -0.667 794 HG23 THR 95 3HG2 THR 95 -0.016 -8.880 -0.367 795 H ARG 96 H ARG 96 -0.231 -7.605 3.414 796 HA ARG 96 HA ARG 96 0.332 -9.145 5.782 797 HB2 ARG 96 2HB ARG 96 2.006 -7.298 5.941 798 HB3 ARG 96 3HB ARG 96 0.717 -6.116 5.870 799 HG2 ARG 96 2HG ARG 96 0.497 -8.127 8.056 800 HG3 ARG 96 3HG ARG 96 1.857 -7.036 8.180 801 HD2 ARG 96 2HD ARG 96 -0.101 -5.219 7.719 802 HD3 ARG 96 3HD ARG 96 -1.062 -6.492 8.462 803 HE ARG 96 HE ARG 96 1.242 -5.138 9.732 804 HH11 ARG 96 1HH1 ARG 96 -1.830 -6.802 10.080 805 HH12 ARG 96 2HH1 ARG 96 -1.883 -6.563 11.791 806 HH21 ARG 96 1HH2 ARG 96 1.130 -4.828 11.957 807 HH22 ARG 96 2HH2 ARG 96 -0.218 -5.457 12.851 808 H ARG 97 H ARG 97 -1.453 -9.227 7.105 809 HA ARG 97 HA ARG 97 -3.959 -8.346 5.905 810 HB2 ARG 97 2HB ARG 97 -3.741 -10.652 6.871 811 HB3 ARG 97 3HB ARG 97 -3.465 -9.948 8.460 812 HG2 ARG 97 2HG ARG 97 -5.860 -8.767 7.835 813 HG3 ARG 97 3HG ARG 97 -6.018 -10.269 6.926 814 HD2 ARG 97 2HD ARG 97 -7.010 -10.641 9.069 815 HD3 ARG 97 3HD ARG 97 -5.463 -11.497 9.080 816 HE ARG 97 HE ARG 97 -5.313 -8.808 10.150 817 HH11 ARG 97 1HH1 ARG 97 -5.926 -12.176 11.001 818 HH12 ARG 97 2HH1 ARG 97 -5.578 -11.918 12.680 819 HH21 ARG 97 1HH2 ARG 97 -5.043 -8.491 12.370 820 HH22 ARG 97 2HH2 ARG 97 -5.083 -9.849 13.454 821 H ALA 98 H ALA 98 -5.010 -6.538 6.569 822 HA ALA 98 HA ALA 98 -4.418 -5.358 9.210 823 HB1 ALA 98 1HB ALA 98 -4.357 -3.801 6.589 824 HB2 ALA 98 2HB ALA 98 -2.959 -4.171 7.601 825 HB3 ALA 98 3HB ALA 98 -4.230 -3.109 8.210 826 H GLN 99 H GLN 99 -6.372 -5.606 10.095 827 HA GLN 99 HA GLN 99 -8.805 -5.595 8.528 828 HB2 GLN 99 2HB GLN 99 -8.342 -5.879 11.527 829 HB3 GLN 99 3HB GLN 99 -9.931 -5.965 10.772 830 HG2 GLN 99 2HG GLN 99 -9.270 -7.963 9.520 831 HG3 GLN 99 3HG GLN 99 -7.634 -7.859 10.180 832 HE21 GLN 99 1HE2 GLN 99 -7.891 -9.968 11.024 833 HE22 GLN 99 2HE2 GLN 99 -8.812 -10.266 12.452 834 H ASP 100 H ASP 100 -7.713 -3.723 11.354 835 HA ASP 100 HA ASP 100 -9.455 -1.464 10.541 836 HB2 ASP 100 2HB ASP 100 -9.941 -2.599 12.746 837 HB3 ASP 100 3HB ASP 100 -8.335 -2.160 13.301 838 H LYS 101 H LYS 101 -8.542 0.657 11.395 839 HA LYS 101 HA LYS 101 -6.501 1.513 9.785 840 HB2 LYS 101 2HB LYS 101 -6.770 3.651 10.924 841 HB3 LYS 101 3HB LYS 101 -8.341 2.869 10.806 842 HG2 LYS 101 2HG LYS 101 -7.772 1.991 13.250 843 HG3 LYS 101 3HG LYS 101 -6.630 3.334 13.248 844 HD2 LYS 101 2HD LYS 101 -8.594 4.205 14.255 845 HD3 LYS 101 3HD LYS 101 -8.624 4.836 12.605 846 HE2 LYS 101 2HE LYS 101 -10.186 3.003 11.975 847 HE3 LYS 101 3HE LYS 101 -10.168 2.443 13.656 848 HZ1 LYS 101 1HZ LYS 101 -11.085 4.601 14.311 849 HZ2 LYS 101 2HZ LYS 101 -12.101 3.807 13.222 850 HZ3 LYS 101 3HZ LYS 101 -11.141 5.092 12.693 851 H GLU 102 H GLU 102 -6.203 0.165 12.978 852 HA GLU 102 HA GLU 102 -3.707 1.441 13.627 853 HB2 GLU 102 2HB GLU 102 -3.951 -0.403 15.634 854 HB3 GLU 102 3HB GLU 102 -4.706 1.179 15.646 855 HG2 GLU 102 2HG GLU 102 -6.464 -0.195 16.281 856 HG3 GLU 102 3HG GLU 102 -6.743 0.014 14.577 857 H GLU 103 H GLU 103 -4.669 -1.843 12.635 858 HA GLU 103 HA GLU 103 -2.069 -2.949 12.511 859 HB2 GLU 103 2HB GLU 103 -4.570 -3.622 10.919 860 HB3 GLU 103 3HB GLU 103 -3.075 -4.549 10.820 861 HG2 GLU 103 2HG GLU 103 -3.264 -5.023 13.271 862 HG3 GLU 103 3HG GLU 103 -4.839 -4.211 13.254 863 H VAL 104 H VAL 104 -3.800 -0.823 10.331 864 HA VAL 104 HA VAL 104 -2.190 -1.223 8.013 865 HB VAL 104 HB VAL 104 -3.787 1.285 8.719 866 HG11 VAL 104 1HG1 VAL 104 -3.846 1.671 6.284 867 HG12 VAL 104 2HG1 VAL 104 -2.892 0.220 6.011 868 HG13 VAL 104 3HG1 VAL 104 -2.182 1.592 6.861 869 HG21 VAL 104 1HG2 VAL 104 -5.657 0.296 7.430 870 HG22 VAL 104 2HG2 VAL 104 -5.255 -0.682 8.842 871 HG23 VAL 104 3HG2 VAL 104 -4.734 -1.198 7.237 872 H LYS 105 H LYS 105 -2.230 1.351 10.546 873 HA LYS 105 HA LYS 105 -0.000 2.757 9.504 874 HB2 LYS 105 2HB LYS 105 -0.023 4.052 11.591 875 HB3 LYS 105 3HB LYS 105 -1.640 3.886 10.929 876 HG2 LYS 105 2HG LYS 105 -2.121 2.109 12.597 877 HG3 LYS 105 3HG LYS 105 -0.511 2.341 13.286 878 HD2 LYS 105 2HD LYS 105 -1.117 4.710 13.831 879 HD3 LYS 105 3HD LYS 105 -2.738 4.430 13.187 880 HE2 LYS 105 2HE LYS 105 -3.111 2.692 14.920 881 HE3 LYS 105 3HE LYS 105 -1.499 2.995 15.566 882 HZ1 LYS 105 1HZ LYS 105 -2.173 5.236 16.119 883 HZ2 LYS 105 2HZ LYS 105 -3.231 4.121 16.826 884 HZ3 LYS 105 3HZ LYS 105 -3.703 4.976 15.450 885 H ASP 106 H ASP 106 -0.274 0.265 12.051 886 HA ASP 106 HA ASP 106 2.318 -0.108 12.854 887 HB2 ASP 106 2HB ASP 106 0.339 -1.402 13.646 888 HB3 ASP 106 3HB ASP 106 0.287 -2.281 12.127 889 H ALA 107 H ALA 107 0.801 -1.540 9.969 890 HA ALA 107 HA ALA 107 2.998 -3.035 9.057 891 HB1 ALA 107 1HB ALA 107 0.651 -1.962 7.472 892 HB2 ALA 107 2HB ALA 107 0.664 -3.455 8.407 893 HB3 ALA 107 3HB ALA 107 1.712 -3.298 6.998 894 H VAL 108 H VAL 108 1.931 0.245 8.348 895 HA VAL 108 HA VAL 108 3.685 0.846 6.207 896 HB VAL 108 HB VAL 108 2.313 2.686 8.230 897 HG11 VAL 108 1HG1 VAL 108 4.256 3.853 7.259 898 HG12 VAL 108 2HG1 VAL 108 2.753 4.537 6.640 899 HG13 VAL 108 3HG1 VAL 108 3.706 3.446 5.633 900 HG21 VAL 108 1HG2 VAL 108 1.573 1.989 5.360 901 HG22 VAL 108 2HG2 VAL 108 0.676 3.076 6.423 902 HG23 VAL 108 3HG2 VAL 108 0.776 1.356 6.800 903 H GLU 109 H GLU 109 3.882 1.554 9.707 904 HA GLU 109 HA GLU 109 6.366 2.798 9.862 905 HB2 GLU 109 2HB GLU 109 4.828 2.778 11.738 906 HB3 GLU 109 3HB GLU 109 4.906 1.023 11.860 907 HG2 GLU 109 2HG GLU 109 7.288 1.197 12.529 908 HG3 GLU 109 3HG GLU 109 7.171 2.955 12.437 909 H GLU 110 H GLU 110 5.577 -0.634 10.183 910 HA GLU 110 HA GLU 110 8.091 -1.735 10.666 911 HB2 GLU 110 2HB GLU 110 5.945 -2.918 10.996 912 HB3 GLU 110 3HB GLU 110 5.652 -2.909 9.261 913 HG2 GLU 110 2HG GLU 110 6.361 -5.116 9.885 914 HG3 GLU 110 3HG GLU 110 7.664 -4.368 8.962 915 H PHE 111 H PHE 111 6.398 -1.063 7.612 916 HA PHE 111 HA PHE 111 8.125 -2.427 5.833 917 HB2 PHE 111 2HB PHE 111 5.706 -1.689 5.430 918 HB3 PHE 111 3HB PHE 111 6.308 -0.058 5.177 919 HD1 PHE 111 HD1 PHE 111 6.311 -3.520 3.839 920 HD2 PHE 111 HD2 PHE 111 7.304 0.559 3.034 921 HE1 PHE 111 HE1 PHE 111 6.619 -4.054 1.465 922 HE2 PHE 111 HE2 PHE 111 7.607 -0.002 0.661 923 HZ PHE 111 HZ PHE 111 7.255 -2.301 -0.122 924 H LEU 112 H LEU 112 7.994 0.929 6.969 925 HA LEU 112 HA LEU 112 9.916 1.920 5.067 926 HB2 LEU 112 2HB LEU 112 8.918 3.311 7.587 927 HB3 LEU 112 3HB LEU 112 9.715 4.061 6.210 928 HG LEU 112 HG LEU 112 6.905 2.941 6.353 929 HD11 LEU 112 1HD1 LEU 112 6.248 5.167 5.563 930 HD12 LEU 112 2HD1 LEU 112 7.938 5.675 5.598 931 HD13 LEU 112 3HD1 LEU 112 7.119 5.222 7.094 932 HD21 LEU 112 1HD2 LEU 112 8.363 3.695 3.807 933 HD22 LEU 112 2HD2 LEU 112 6.637 3.348 3.944 934 HD23 LEU 112 3HD2 LEU 112 7.813 2.079 4.268 935 H LYS 113 H LYS 113 10.023 1.003 8.514 936 HA LYS 113 HA LYS 113 12.740 1.781 8.947 937 HB2 LYS 113 2HB LYS 113 10.885 -0.066 10.501 938 HB3 LYS 113 3HB LYS 113 12.498 0.377 11.060 939 HG2 LYS 113 2HG LYS 113 11.840 2.750 11.107 940 HG3 LYS 113 3HG LYS 113 10.227 2.324 10.526 941 HD2 LYS 113 2HD LYS 113 9.821 1.031 12.600 942 HD3 LYS 113 3HD LYS 113 11.445 1.430 13.173 943 HE2 LYS 113 2HE LYS 113 10.858 3.816 13.224 944 HE3 LYS 113 3HE LYS 113 9.252 3.453 12.590 945 HZ1 LYS 113 1HZ LYS 113 9.202 3.786 14.962 946 HZ2 LYS 113 2HZ LYS 113 10.335 2.563 15.213 947 HZ3 LYS 113 3HZ LYS 113 8.798 2.186 14.610 948 H GLU 114 H GLU 114 11.222 -1.130 7.694 949 HA GLU 114 HA GLU 114 13.749 -2.595 7.568 950 HB2 GLU 114 2HB GLU 114 10.950 -3.277 6.589 951 HB3 GLU 114 3HB GLU 114 12.347 -4.331 6.375 952 HG2 GLU 114 2HG GLU 114 11.108 -3.467 8.997 953 HG3 GLU 114 3HG GLU 114 11.062 -5.075 8.277 954 H GLY 115 H GLY 115 12.267 -0.219 5.684 955 HA2 GLY 115 2HA GLY 115 12.722 0.692 3.632 956 HA3 GLY 115 3HA GLY 115 14.189 -0.272 3.612 957 H GLY 116 H GLY 116 11.135 -1.874 3.918 958 HA2 GLY 116 2HA GLY 116 10.033 -2.397 1.564 959 HA3 GLY 116 3HA GLY 116 11.542 -3.290 1.385 960 H SER 117 H SER 117 11.507 -5.350 2.047 961 HA SER 117 HA SER 117 9.180 -6.651 2.790 962 HB2 SER 117 2HB SER 117 12.045 -7.624 3.102 963 HB3 SER 117 3HB SER 117 10.611 -8.646 2.967 964 HG SER 117 HG SER 117 10.383 -8.049 0.863 965 H LEU 118 H LEU 118 8.157 -6.942 4.663 966 HA LEU 118 HA LEU 118 8.703 -5.509 6.988 967 HB2 LEU 118 2HB LEU 118 6.914 -7.960 6.718 968 HB3 LEU 118 3HB LEU 118 6.793 -6.741 7.979 969 HG LEU 118 HG LEU 118 6.290 -6.212 5.017 970 HD11 LEU 118 1HD1 LEU 118 4.293 -6.620 7.259 971 HD12 LEU 118 2HD1 LEU 118 4.588 -7.704 5.897 972 HD13 LEU 118 3HD1 LEU 118 3.906 -6.105 5.613 973 HD21 LEU 118 1HD2 LEU 118 7.024 -4.198 6.215 974 HD22 LEU 118 2HD2 LEU 118 5.756 -4.436 7.420 975 HD23 LEU 118 3HD2 LEU 118 5.329 -4.082 5.745 976 H GLU 119 H GLU 119 9.018 -8.961 6.465 977 HA GLU 119 HA GLU 119 10.625 -9.348 8.938 978 HB2 GLU 119 2HB GLU 119 9.788 -11.646 8.991 979 HB3 GLU 119 3HB GLU 119 8.420 -10.548 8.930 980 HG2 GLU 119 2HG GLU 119 9.510 -12.102 6.554 981 HG3 GLU 119 3HG GLU 119 8.113 -12.575 7.512 982 H HIS 120 H HIS 120 11.290 -8.587 6.113 983 HA HIS 120 HA HIS 120 12.600 -8.946 4.382 984 HB2 HIS 120 2HB HIS 120 14.278 -9.170 6.408 985 HB3 HIS 120 3HB HIS 120 14.352 -10.868 5.947 986 HD1 HIS 120 HD1 HIS 120 15.594 -7.512 5.049 987 HD2 HIS 120 HD2 HIS 120 15.502 -11.285 3.298 988 HE1 HIS 120 HE1 HIS 120 17.169 -7.391 3.097 989 HE2 HIS 120 HE2 HIS 120 17.036 -9.651 2.012 990 H HIS 121 H HIS 121 10.328 -10.374 4.228 991 HA HIS 121 HA HIS 121 10.401 -12.891 3.076 992 HB2 HIS 121 2HB HIS 121 8.313 -11.745 2.942 993 HB3 HIS 121 3HB HIS 121 9.041 -10.304 2.255 994 HD1 HIS 121 HD1 HIS 121 8.919 -10.022 -0.206 995 HD2 HIS 121 HD2 HIS 121 8.038 -13.922 0.950 996 HE1 HIS 121 HE1 HIS 121 8.197 -11.199 -2.299 997 HE2 HIS 121 HE2 HIS 121 7.769 -13.575 -1.600 998 H HIS 122 H HIS 122 11.439 -13.773 1.301 999 HA HIS 122 HA HIS 122 14.015 -12.865 1.016 1000 HB2 HIS 122 2HB HIS 122 12.564 -14.905 -0.689 1001 HB3 HIS 122 3HB HIS 122 14.303 -14.631 -0.767 1002 HD1 HIS 122 HD1 HIS 122 12.013 -16.838 0.734 1003 HD2 HIS 122 HD2 HIS 122 15.401 -14.861 2.104 1004 HE1 HIS 122 HE1 HIS 122 12.770 -18.124 2.754 1005 HE2 HIS 122 HE2 HIS 122 14.879 -16.977 3.484 1006 H HIS 123 H HIS 123 14.269 -10.898 0.363 1007 HA HIS 123 HA HIS 123 13.978 -10.204 -2.501 1008 HB2 HIS 123 2HB HIS 123 12.432 -8.812 -1.158 1009 HB3 HIS 123 3HB HIS 123 13.710 -8.413 -0.024 1010 HD1 HIS 123 HD1 HIS 123 15.322 -6.533 -0.669 1011 HD2 HIS 123 HD2 HIS 123 12.515 -7.387 -3.609 1012 HE1 HIS 123 HE1 HIS 123 15.474 -4.639 -2.315 1013 HE2 HIS 123 HE2 HIS 123 13.876 -5.267 -4.148 1014 H HIS 124 H HIS 124 15.920 -9.533 -3.399 1015 HA HIS 124 HA HIS 124 18.300 -10.365 -2.169 1016 HB2 HIS 124 2HB HIS 124 19.459 -9.673 -4.141 1017 HB3 HIS 124 3HB HIS 124 17.871 -10.179 -4.691 1018 HD1 HIS 124 HD1 HIS 124 20.159 -7.904 -5.677 1019 HD2 HIS 124 HD2 HIS 124 16.193 -7.395 -4.530 1020 HE1 HIS 124 HE1 HIS 124 19.422 -5.752 -6.729 1021 HE2 HIS 124 HE2 HIS 124 17.123 -5.358 -5.824 1022 H HIS 125 H HIS 125 20.102 -9.226 -1.397 1023 HA HIS 125 HA HIS 125 19.655 -6.873 0.133 1024 HB2 HIS 125 2HB HIS 125 21.311 -8.509 0.885 1025 HB3 HIS 125 3HB HIS 125 22.248 -8.321 -0.596 1026 HD1 HIS 125 HD1 HIS 125 23.920 -6.429 -0.691 1027 HD2 HIS 125 HD2 HIS 125 21.484 -6.226 2.681 1028 HE1 HIS 125 HE1 HIS 125 24.901 -4.623 0.752 1029 HE2 HIS 125 HE2 HIS 125 23.354 -4.440 2.724 Start of MODEL 6 1 H1 MET 1 1H MET 1 13.673 9.832 -5.208 2 H2 MET 1 2H MET 1 13.472 8.171 -5.454 3 H3 MET 1 3H MET 1 14.747 8.988 -6.199 4 HA MET 1 HA MET 1 15.461 7.660 -4.312 5 HB2 MET 1 2HB MET 1 15.782 10.683 -4.064 6 HB3 MET 1 3HB MET 1 16.746 9.526 -3.155 7 HG2 MET 1 2HG MET 1 16.701 9.833 -6.169 8 HG3 MET 1 3HG MET 1 17.999 10.326 -5.075 9 HE1 MET 1 1HE MET 1 19.776 8.950 -6.540 10 HE2 MET 1 2HE MET 1 18.500 8.434 -7.647 11 HE3 MET 1 3HE MET 1 19.591 7.243 -6.939 12 H GLY 2 H GLY 2 14.042 6.617 -2.958 13 HA2 GLY 2 2HA GLY 2 13.058 6.150 -0.940 14 HA3 GLY 2 3HA GLY 2 13.718 7.664 -0.342 15 H LYS 3 H LYS 3 11.451 7.382 -3.040 16 HA LYS 3 HA LYS 3 9.604 9.198 -1.762 17 HB2 LYS 3 2HB LYS 3 10.064 9.503 -4.139 18 HB3 LYS 3 3HB LYS 3 9.550 7.860 -4.497 19 HG2 LYS 3 2HG LYS 3 7.880 9.619 -5.143 20 HG3 LYS 3 3HG LYS 3 7.237 8.387 -4.055 21 HD2 LYS 3 2HD LYS 3 6.446 10.642 -3.453 22 HD3 LYS 3 3HD LYS 3 7.416 9.941 -2.157 23 HE2 LYS 3 2HE LYS 3 8.002 12.278 -2.404 24 HE3 LYS 3 3HE LYS 3 9.366 11.313 -2.961 25 HZ1 LYS 3 1HZ LYS 3 8.929 13.152 -4.448 26 HZ2 LYS 3 2HZ LYS 3 7.338 12.631 -4.680 27 HZ3 LYS 3 3HZ LYS 3 8.619 11.694 -5.240 28 H VAL 4 H VAL 4 8.381 8.350 -0.190 29 HA VAL 4 HA VAL 4 7.054 5.748 -0.534 30 HB VAL 4 HB VAL 4 6.868 7.554 1.920 31 HG11 VAL 4 1HG1 VAL 4 6.399 4.561 1.604 32 HG12 VAL 4 2HG1 VAL 4 5.143 5.796 1.737 33 HG13 VAL 4 3HG1 VAL 4 6.225 5.490 3.097 34 HG21 VAL 4 1HG2 VAL 4 8.666 6.247 2.976 35 HG22 VAL 4 2HG2 VAL 4 9.256 7.075 1.534 36 HG23 VAL 4 3HG2 VAL 4 8.913 5.346 1.481 37 H VAL 5 H VAL 5 5.048 5.730 -1.357 38 HA VAL 5 HA VAL 5 3.212 7.995 -0.836 39 HB VAL 5 HB VAL 5 3.367 6.275 -3.361 40 HG11 VAL 5 1HG1 VAL 5 1.460 7.601 -4.229 41 HG12 VAL 5 2HG1 VAL 5 1.297 8.392 -2.659 42 HG13 VAL 5 3HG1 VAL 5 1.004 6.658 -2.807 43 HG21 VAL 5 1HG2 VAL 5 3.773 9.269 -2.992 44 HG22 VAL 5 2HG2 VAL 5 3.825 8.405 -4.532 45 HG23 VAL 5 3HG2 VAL 5 5.044 8.083 -3.296 46 H PHE 6 H PHE 6 1.674 7.375 0.514 47 HA PHE 6 HA PHE 6 0.876 4.560 0.753 48 HB2 PHE 6 2HB PHE 6 1.450 5.780 2.832 49 HB3 PHE 6 3HB PHE 6 0.206 6.978 2.489 50 HD1 PHE 6 HD1 PHE 6 0.639 3.295 2.942 51 HD2 PHE 6 HD2 PHE 6 -1.935 6.671 3.465 52 HE1 PHE 6 HE1 PHE 6 -0.995 1.869 4.084 53 HE2 PHE 6 HE2 PHE 6 -3.565 5.230 4.616 54 HZ PHE 6 HZ PHE 6 -3.091 2.827 4.910 55 H LEU 7 H LEU 7 -0.844 3.911 -0.320 56 HA LEU 7 HA LEU 7 -2.978 5.777 -1.176 57 HB2 LEU 7 2HB LEU 7 -1.786 4.673 -3.026 58 HB3 LEU 7 3HB LEU 7 -2.038 3.098 -2.289 59 HG LEU 7 HG LEU 7 -4.480 3.295 -2.680 60 HD11 LEU 7 1HD1 LEU 7 -4.735 5.710 -2.560 61 HD12 LEU 7 2HD1 LEU 7 -5.399 5.089 -4.069 62 HD13 LEU 7 3HD1 LEU 7 -3.836 5.906 -4.066 63 HD21 LEU 7 1HD2 LEU 7 -4.439 2.963 -5.093 64 HD22 LEU 7 2HD2 LEU 7 -3.050 2.182 -4.344 65 HD23 LEU 7 3HD2 LEU 7 -2.845 3.713 -5.200 66 H SER 8 H SER 8 -5.038 5.421 -0.309 67 HA SER 8 HA SER 8 -5.891 2.756 0.478 68 HB2 SER 8 2HB SER 8 -5.750 5.052 2.473 69 HB3 SER 8 3HB SER 8 -6.761 3.622 2.716 70 HG SER 8 HG SER 8 -3.973 3.596 2.290 71 H ASP 9 H ASP 9 -8.108 2.528 0.512 72 HA ASP 9 HA ASP 9 -9.622 4.572 -0.958 73 HB2 ASP 9 2HB ASP 9 -9.535 2.173 -1.718 74 HB3 ASP 9 3HB ASP 9 -10.333 1.690 -0.226 75 H ASP 10 H ASP 10 -8.940 4.598 2.082 76 HA ASP 10 HA ASP 10 -11.632 5.142 3.137 77 HB2 ASP 10 2HB ASP 10 -11.073 2.737 3.625 78 HB3 ASP 10 3HB ASP 10 -9.633 3.263 4.483 79 H GLN 11 H GLN 11 -11.625 6.932 4.389 80 HA GLN 11 HA GLN 11 -9.326 8.571 4.539 81 HB2 GLN 11 2HB GLN 11 -11.675 9.410 4.317 82 HB3 GLN 11 3HB GLN 11 -11.972 8.960 5.993 83 HG2 GLN 11 2HG GLN 11 -11.549 11.359 5.798 84 HG3 GLN 11 3HG GLN 11 -10.266 10.592 6.734 85 HE21 GLN 11 1HE2 GLN 11 -8.177 10.435 5.803 86 HE22 GLN 11 2HE2 GLN 11 -7.716 11.394 4.440 87 H GLU 12 H GLU 12 -11.069 6.721 7.043 88 HA GLU 12 HA GLU 12 -9.749 7.611 9.337 89 HB2 GLU 12 2HB GLU 12 -10.958 4.900 8.686 90 HB3 GLU 12 3HB GLU 12 -10.363 5.309 10.288 91 HG2 GLU 12 2HG GLU 12 -12.540 6.863 8.869 92 HG3 GLU 12 3HG GLU 12 -12.854 5.511 9.956 93 H ILE 13 H ILE 13 -8.835 5.188 6.966 94 HA ILE 13 HA ILE 13 -6.583 4.092 8.328 95 HB ILE 13 HB ILE 13 -7.243 4.187 5.352 96 HG12 ILE 13 2HG1 ILE 13 -8.945 2.953 6.670 97 HG13 ILE 13 3HG1 ILE 13 -8.054 1.872 5.612 98 HG21 ILE 13 1HG2 ILE 13 -5.627 2.347 5.089 99 HG22 ILE 13 2HG2 ILE 13 -5.182 2.503 6.789 100 HG23 ILE 13 3HG2 ILE 13 -4.856 3.825 5.669 101 HD11 ILE 13 1HD1 ILE 13 -6.736 1.103 7.543 102 HD12 ILE 13 2HD1 ILE 13 -8.467 0.843 7.744 103 HD13 ILE 13 3HD1 ILE 13 -7.678 2.172 8.588 104 H ILE 14 H ILE 14 -6.962 6.529 5.748 105 HA ILE 14 HA ILE 14 -4.298 7.140 5.220 106 HB ILE 14 HB ILE 14 -6.795 8.877 4.925 107 HG12 ILE 14 2HG1 ILE 14 -5.252 7.274 2.826 108 HG13 ILE 14 3HG1 ILE 14 -6.754 6.759 3.579 109 HG21 ILE 14 1HG2 ILE 14 -5.515 10.304 3.353 110 HG22 ILE 14 2HG2 ILE 14 -4.047 9.411 3.745 111 HG23 ILE 14 3HG2 ILE 14 -4.850 10.370 4.987 112 HD11 ILE 14 1HD1 ILE 14 -6.402 9.162 1.786 113 HD12 ILE 14 2HD1 ILE 14 -7.909 8.670 2.562 114 HD13 ILE 14 3HD1 ILE 14 -7.154 7.622 1.362 115 H GLU 15 H GLU 15 -6.511 8.555 7.620 116 HA GLU 15 HA GLU 15 -4.813 10.740 8.369 117 HB2 GLU 15 2HB GLU 15 -7.222 9.538 9.799 118 HB3 GLU 15 3HB GLU 15 -6.452 11.066 10.229 119 HG2 GLU 15 2HG GLU 15 -7.038 11.999 8.025 120 HG3 GLU 15 3HG GLU 15 -7.788 10.471 7.569 121 H GLU 16 H GLU 16 -5.474 7.542 9.796 122 HA GLU 16 HA GLU 16 -3.949 7.825 12.158 123 HB2 GLU 16 2HB GLU 16 -4.817 5.379 10.569 124 HB3 GLU 16 3HB GLU 16 -3.937 5.245 12.088 125 HG2 GLU 16 2HG GLU 16 -6.600 6.652 11.769 126 HG3 GLU 16 3HG GLU 16 -6.406 4.991 12.320 127 H VAL 17 H VAL 17 -3.088 6.544 8.958 128 HA VAL 17 HA VAL 17 -0.394 5.854 9.584 129 HB VAL 17 HB VAL 17 -1.776 6.347 6.911 130 HG11 VAL 17 1HG1 VAL 17 0.111 5.120 5.870 131 HG12 VAL 17 2HG1 VAL 17 0.945 5.094 7.425 132 HG13 VAL 17 3HG1 VAL 17 0.639 6.631 6.616 133 HG21 VAL 17 1HG2 VAL 17 -1.889 3.879 6.782 134 HG22 VAL 17 2HG2 VAL 17 -2.735 4.480 8.204 135 HG23 VAL 17 3HG2 VAL 17 -1.138 3.754 8.370 136 H SER 18 H SER 18 -1.934 8.714 8.118 137 HA SER 18 HA SER 18 0.307 10.239 7.432 138 HB2 SER 18 2HB SER 18 -2.023 10.805 6.756 139 HB3 SER 18 3HB SER 18 -2.417 11.212 8.424 140 HG SER 18 HG SER 18 -1.151 13.001 8.291 141 H LYS 19 H LYS 19 -1.415 9.859 10.482 142 HA LYS 19 HA LYS 19 -0.093 11.850 11.992 143 HB2 LYS 19 2HB LYS 19 -2.270 10.862 12.664 144 HB3 LYS 19 3HB LYS 19 -1.486 9.314 12.936 145 HG2 LYS 19 2HG LYS 19 -1.849 10.308 15.070 146 HG3 LYS 19 3HG LYS 19 -0.119 10.389 14.758 147 HD2 LYS 19 2HD LYS 19 -1.880 12.776 14.127 148 HD3 LYS 19 3HD LYS 19 -1.387 12.466 15.787 149 HE2 LYS 19 2HE LYS 19 0.971 12.643 15.158 150 HE3 LYS 19 3HE LYS 19 0.528 12.852 13.462 151 HZ1 LYS 19 1HZ LYS 19 -0.146 14.711 15.678 152 HZ2 LYS 19 2HZ LYS 19 -0.615 14.903 14.068 153 HZ3 LYS 19 3HZ LYS 19 1.021 14.965 14.480 154 H LYS 20 H LYS 20 0.358 8.286 11.852 155 HA LYS 20 HA LYS 20 2.459 8.175 13.726 156 HB2 LYS 20 2HB LYS 20 0.982 6.216 12.903 157 HB3 LYS 20 3HB LYS 20 2.048 6.125 11.503 158 HG2 LYS 20 2HG LYS 20 2.795 4.490 13.115 159 HG3 LYS 20 3HG LYS 20 3.987 5.797 13.089 160 HD2 LYS 20 2HD LYS 20 2.695 6.798 15.090 161 HD3 LYS 20 3HD LYS 20 1.851 5.254 15.184 162 HE2 LYS 20 2HE LYS 20 3.651 5.235 16.770 163 HE3 LYS 20 3HE LYS 20 4.092 4.146 15.450 164 HZ1 LYS 20 1HZ LYS 20 5.903 5.630 16.185 165 HZ2 LYS 20 2HZ LYS 20 5.013 6.963 15.656 166 HZ3 LYS 20 3HZ LYS 20 5.534 5.797 14.549 167 H ALA 21 H ALA 21 2.442 8.381 10.209 168 HA ALA 21 HA ALA 21 5.170 8.214 9.648 169 HB1 ALA 21 1HB ALA 21 3.425 8.098 7.922 170 HB2 ALA 21 2HB ALA 21 4.620 9.338 7.533 171 HB3 ALA 21 3HB ALA 21 3.039 9.799 8.180 172 H GLU 22 H GLU 22 3.109 11.055 10.383 173 HA GLU 22 HA GLU 22 5.051 13.063 10.077 174 HB2 GLU 22 2HB GLU 22 2.614 13.529 10.260 175 HB3 GLU 22 3HB GLU 22 2.650 13.061 11.959 176 HG2 GLU 22 2HG GLU 22 4.209 14.933 12.431 177 HG3 GLU 22 3HG GLU 22 4.146 15.410 10.736 178 H GLU 23 H GLU 23 4.035 11.276 13.006 179 HA GLU 23 HA GLU 23 5.633 12.479 14.932 180 HB2 GLU 23 2HB GLU 23 4.763 9.558 14.782 181 HB3 GLU 23 3HB GLU 23 5.385 10.347 16.232 182 HG2 GLU 23 2HG GLU 23 3.464 11.889 16.231 183 HG3 GLU 23 3HG GLU 23 2.837 11.118 14.773 184 H GLU 24 H GLU 24 6.423 9.741 12.799 185 HA GLU 24 HA GLU 24 9.107 9.431 13.870 186 HB2 GLU 24 2HB GLU 24 7.835 8.184 11.407 187 HB3 GLU 24 3HB GLU 24 9.333 7.671 12.174 188 HG2 GLU 24 2HG GLU 24 6.543 7.474 13.339 189 HG3 GLU 24 3HG GLU 24 7.539 6.146 12.743 190 H GLY 25 H GLY 25 7.640 11.380 11.459 191 HA2 GLY 25 2HA GLY 25 8.586 13.118 10.247 192 HA3 GLY 25 3HA GLY 25 10.194 12.517 10.620 193 H TYR 26 H TYR 26 8.040 10.136 9.407 194 HA TYR 26 HA TYR 26 9.498 9.764 6.986 195 HB2 TYR 26 2HB TYR 26 6.853 8.538 7.894 196 HB3 TYR 26 3HB TYR 26 7.745 8.031 6.463 197 HD1 TYR 26 HD1 TYR 26 10.547 8.009 7.459 198 HD2 TYR 26 HD2 TYR 26 6.949 6.647 9.327 199 HE1 TYR 26 HE1 TYR 26 11.838 6.397 8.780 200 HE2 TYR 26 HE2 TYR 26 8.247 5.034 10.652 201 HH TYR 26 HH TYR 26 11.690 5.158 10.791 202 H ASP 27 H ASP 27 9.376 11.191 5.389 203 HA ASP 27 HA ASP 27 7.132 12.811 4.721 204 HB2 ASP 27 2HB ASP 27 9.442 13.508 4.189 205 HB3 ASP 27 3HB ASP 27 9.635 12.127 3.115 206 H ILE 28 H ILE 28 5.326 11.515 4.349 207 HA ILE 28 HA ILE 28 5.421 9.624 2.058 208 HB ILE 28 HB ILE 28 3.494 9.536 4.428 209 HG12 ILE 28 2HG1 ILE 28 5.933 7.805 3.822 210 HG13 ILE 28 3HG1 ILE 28 5.714 8.868 5.207 211 HG21 ILE 28 1HG2 ILE 28 2.761 7.377 3.488 212 HG22 ILE 28 2HG2 ILE 28 3.869 7.585 2.130 213 HG23 ILE 28 3HG2 ILE 28 2.507 8.689 2.335 214 HD11 ILE 28 1HD1 ILE 28 4.248 6.290 4.649 215 HD12 ILE 28 2HD1 ILE 28 3.862 7.395 5.970 216 HD13 ILE 28 3HD1 ILE 28 5.438 6.613 5.910 217 H GLN 29 H GLN 29 4.200 10.179 0.353 218 HA GLN 29 HA GLN 29 2.191 12.283 0.496 219 HB2 GLN 29 2HB GLN 29 3.752 12.176 -1.439 220 HB3 GLN 29 3HB GLN 29 3.172 10.559 -1.830 221 HG2 GLN 29 2HG GLN 29 2.216 12.307 -3.305 222 HG3 GLN 29 3HG GLN 29 0.978 11.426 -2.408 223 HE21 GLN 29 1HE2 GLN 29 -0.204 12.525 -0.786 224 HE22 GLN 29 2HE2 GLN 29 -0.170 14.242 -0.619 225 H THR 30 H THR 30 0.173 11.701 1.182 226 HA THR 30 HA THR 30 -0.758 8.916 0.848 227 HB THR 30 HB THR 30 -2.584 9.596 2.467 228 HG1 THR 30 HG1 THR 30 -1.275 11.784 3.428 229 HG21 THR 30 1HG2 THR 30 -0.560 8.452 3.312 230 HG22 THR 30 2HG2 THR 30 -1.161 9.628 4.483 231 HG23 THR 30 3HG2 THR 30 0.251 10.012 3.495 232 H SER 31 H SER 31 -2.796 8.467 -0.036 233 HA SER 31 HA SER 31 -4.303 10.507 -1.484 234 HB2 SER 31 2HB SER 31 -2.471 9.916 -3.069 235 HB3 SER 31 3HB SER 31 -2.883 8.209 -2.933 236 HG SER 31 HG SER 31 -4.092 8.670 -4.611 237 H ASN 32 H ASN 32 -6.368 9.826 -2.025 238 HA ASN 32 HA ASN 32 -7.302 7.192 -1.137 239 HB2 ASN 32 2HB ASN 32 -8.667 9.103 -0.402 240 HB3 ASN 32 3HB ASN 32 -8.863 9.644 -2.068 241 HD21 ASN 32 1HD2 ASN 32 -9.789 7.220 0.284 242 HD22 ASN 32 2HD2 ASN 32 -11.148 6.619 -0.596 243 H ASP 33 H ASP 33 -7.268 9.304 -3.944 244 HA ASP 33 HA ASP 33 -8.618 7.602 -5.760 245 HB2 ASP 33 2HB ASP 33 -8.595 10.049 -5.977 246 HB3 ASP 33 3HB ASP 33 -6.849 10.040 -6.194 247 H LYS 34 H LYS 34 -7.792 5.702 -6.255 248 HA LYS 34 HA LYS 34 -5.037 5.021 -6.290 249 HB2 LYS 34 2HB LYS 34 -5.823 2.776 -7.018 250 HB3 LYS 34 3HB LYS 34 -6.704 3.388 -5.623 251 HG2 LYS 34 2HG LYS 34 -8.556 4.084 -7.178 252 HG3 LYS 34 3HG LYS 34 -7.680 3.294 -8.490 253 HD2 LYS 34 2HD LYS 34 -9.421 1.806 -7.668 254 HD3 LYS 34 3HD LYS 34 -7.842 1.131 -7.269 255 HE2 LYS 34 2HE LYS 34 -8.079 1.926 -4.949 256 HE3 LYS 34 3HE LYS 34 -9.639 2.653 -5.346 257 HZ1 LYS 34 1HZ LYS 34 -10.487 0.438 -5.858 258 HZ2 LYS 34 2HZ LYS 34 -9.928 0.521 -4.267 259 HZ3 LYS 34 3HZ LYS 34 -8.998 -0.250 -5.450 260 H LYS 35 H LYS 35 -7.178 6.146 -8.840 261 HA LYS 35 HA LYS 35 -5.903 4.801 -11.019 262 HB2 LYS 35 2HB LYS 35 -7.280 6.051 -12.510 263 HB3 LYS 35 3HB LYS 35 -8.259 5.711 -11.095 264 HG2 LYS 35 2HG LYS 35 -7.968 8.011 -10.305 265 HG3 LYS 35 3HG LYS 35 -6.910 8.361 -11.676 266 HD2 LYS 35 2HD LYS 35 -8.842 7.852 -13.217 267 HD3 LYS 35 3HD LYS 35 -9.876 7.670 -11.796 268 HE2 LYS 35 2HE LYS 35 -8.397 10.203 -12.604 269 HE3 LYS 35 3HE LYS 35 -10.125 9.906 -12.801 270 HZ1 LYS 35 1HZ LYS 35 -9.681 11.237 -10.842 271 HZ2 LYS 35 2HZ LYS 35 -8.683 10.030 -10.203 272 HZ3 LYS 35 3HZ LYS 35 -10.332 9.744 -10.400 273 H GLU 36 H GLU 36 -5.453 8.005 -9.555 274 HA GLU 36 HA GLU 36 -3.522 9.043 -11.342 275 HB2 GLU 36 2HB GLU 36 -4.588 10.468 -9.619 276 HB3 GLU 36 3HB GLU 36 -3.807 9.535 -8.343 277 HG2 GLU 36 2HG GLU 36 -1.575 10.248 -9.295 278 HG3 GLU 36 3HG GLU 36 -2.443 11.310 -10.399 279 H ILE 37 H ILE 37 -3.291 7.005 -8.474 280 HA ILE 37 HA ILE 37 -0.480 7.148 -8.126 281 HB ILE 37 HB ILE 37 -2.495 5.130 -7.048 282 HG12 ILE 37 2HG1 ILE 37 -3.062 7.422 -6.375 283 HG13 ILE 37 3HG1 ILE 37 -2.447 6.545 -4.982 284 HG21 ILE 37 1HG2 ILE 37 -0.840 4.661 -5.276 285 HG22 ILE 37 2HG2 ILE 37 0.327 5.704 -6.093 286 HG23 ILE 37 3HG2 ILE 37 -0.232 4.225 -6.875 287 HD11 ILE 37 1HD1 ILE 37 -0.940 8.586 -6.615 288 HD12 ILE 37 2HD1 ILE 37 -0.275 7.680 -5.253 289 HD13 ILE 37 3HD1 ILE 37 -1.613 8.800 -5.002 290 H ILE 38 H ILE 38 -2.590 4.778 -9.729 291 HA ILE 38 HA ILE 38 -0.717 2.845 -10.528 292 HB ILE 38 HB ILE 38 -3.280 3.803 -11.889 293 HG12 ILE 38 2HG1 ILE 38 -2.764 1.352 -10.139 294 HG13 ILE 38 3HG1 ILE 38 -3.548 2.832 -9.605 295 HG21 ILE 38 1HG2 ILE 38 -3.299 1.738 -13.225 296 HG22 ILE 38 2HG2 ILE 38 -1.740 1.269 -12.549 297 HG23 ILE 38 3HG2 ILE 38 -1.857 2.694 -13.582 298 HD11 ILE 38 1HD1 ILE 38 -5.175 1.108 -10.014 299 HD12 ILE 38 2HD1 ILE 38 -4.609 0.910 -11.672 300 HD13 ILE 38 3HD1 ILE 38 -5.385 2.418 -11.176 301 H ASP 39 H ASP 39 -1.649 5.942 -11.967 302 HA ASP 39 HA ASP 39 -0.051 5.740 -14.325 303 HB2 ASP 39 2HB ASP 39 -2.070 7.196 -14.155 304 HB3 ASP 39 3HB ASP 39 -1.219 8.231 -13.027 305 H ARG 40 H ARG 40 0.512 6.941 -11.064 306 HA ARG 40 HA ARG 40 3.002 8.264 -11.601 307 HB2 ARG 40 2HB ARG 40 1.986 7.138 -8.948 308 HB3 ARG 40 3HB ARG 40 3.311 8.285 -9.148 309 HG2 ARG 40 2HG ARG 40 1.698 9.933 -10.095 310 HG3 ARG 40 3HG ARG 40 0.403 8.781 -9.818 311 HD2 ARG 40 2HD ARG 40 0.341 10.365 -8.029 312 HD3 ARG 40 3HD ARG 40 0.927 8.840 -7.372 313 HE ARG 40 HE ARG 40 3.239 10.063 -7.822 314 HH11 ARG 40 1HH1 ARG 40 0.298 11.386 -6.377 315 HH12 ARG 40 2HH1 ARG 40 1.151 12.524 -5.388 316 HH21 ARG 40 1HH2 ARG 40 4.340 11.596 -6.537 317 HH22 ARG 40 2HH2 ARG 40 3.450 12.642 -5.479 318 H LEU 41 H LEU 41 2.079 4.969 -10.688 319 HA LEU 41 HA LEU 41 4.689 3.884 -10.359 320 HB2 LEU 41 2HB LEU 41 2.094 2.533 -11.188 321 HB3 LEU 41 3HB LEU 41 3.541 1.683 -10.664 322 HG LEU 41 HG LEU 41 1.995 3.622 -8.897 323 HD11 LEU 41 1HD1 LEU 41 0.555 1.735 -9.441 324 HD12 LEU 41 2HD1 LEU 41 1.057 1.670 -7.753 325 HD13 LEU 41 3HD1 LEU 41 1.809 0.597 -8.939 326 HD21 LEU 41 1HD2 LEU 41 3.286 2.612 -7.061 327 HD22 LEU 41 2HD2 LEU 41 4.333 3.386 -8.248 328 HD23 LEU 41 3HD2 LEU 41 4.179 1.626 -8.223 329 H LYS 42 H LYS 42 2.556 4.290 -13.159 330 HA LYS 42 HA LYS 42 4.102 3.075 -15.174 331 HB2 LYS 42 2HB LYS 42 2.154 5.413 -15.293 332 HB3 LYS 42 3HB LYS 42 2.876 4.704 -16.733 333 HG2 LYS 42 2HG LYS 42 1.788 2.594 -16.340 334 HG3 LYS 42 3HG LYS 42 1.243 3.105 -14.746 335 HD2 LYS 42 2HD LYS 42 -0.620 3.117 -16.319 336 HD3 LYS 42 3HD LYS 42 -0.277 4.756 -15.786 337 HE2 LYS 42 2HE LYS 42 0.806 3.691 -18.406 338 HE3 LYS 42 3HE LYS 42 -0.815 4.367 -18.279 339 HZ1 LYS 42 1HZ LYS 42 1.726 5.785 -17.696 340 HZ2 LYS 42 2HZ LYS 42 0.193 6.429 -17.436 341 HZ3 LYS 42 3HZ LYS 42 0.693 6.059 -19.006 342 H ARG 43 H ARG 43 4.300 6.268 -13.707 343 HA ARG 43 HA ARG 43 6.312 7.280 -15.528 344 HB2 ARG 43 2HB ARG 43 5.144 8.437 -12.957 345 HB3 ARG 43 3HB ARG 43 6.231 9.310 -14.038 346 HG2 ARG 43 2HG ARG 43 4.569 9.199 -15.848 347 HG3 ARG 43 3HG ARG 43 3.497 8.242 -14.826 348 HD2 ARG 43 2HD ARG 43 3.425 10.199 -13.220 349 HD3 ARG 43 3HD ARG 43 4.302 11.144 -14.426 350 HE ARG 43 HE ARG 43 1.546 10.125 -14.629 351 HH11 ARG 43 1HH1 ARG 43 4.093 12.091 -16.072 352 HH12 ARG 43 2HH1 ARG 43 3.012 12.876 -17.177 353 HH21 ARG 43 1HH2 ARG 43 0.172 11.153 -16.082 354 HH22 ARG 43 2HH2 ARG 43 0.789 12.344 -17.183 355 H ARG 44 H ARG 44 6.518 5.128 -12.989 356 HA ARG 44 HA ARG 44 8.052 4.407 -11.484 357 HB2 ARG 44 2HB ARG 44 9.952 5.824 -13.389 358 HB3 ARG 44 3HB ARG 44 10.553 5.033 -11.938 359 HG2 ARG 44 2HG ARG 44 10.859 3.534 -13.788 360 HG3 ARG 44 3HG ARG 44 9.582 2.879 -12.760 361 HD2 ARG 44 2HD ARG 44 9.016 2.626 -15.119 362 HD3 ARG 44 3HD ARG 44 7.883 3.730 -14.338 363 HE ARG 44 HE ARG 44 9.628 5.474 -15.351 364 HH11 ARG 44 1HH1 ARG 44 8.183 2.662 -16.910 365 HH12 ARG 44 2HH1 ARG 44 8.265 3.353 -18.497 366 HH21 ARG 44 1HH2 ARG 44 9.715 6.360 -17.454 367 HH22 ARG 44 2HH2 ARG 44 9.128 5.444 -18.803 368 H ASN 45 H ASN 45 6.670 6.923 -11.153 369 HA ASN 45 HA ASN 45 8.266 8.959 -9.996 370 HB2 ASN 45 2HB ASN 45 6.107 9.336 -11.156 371 HB3 ASN 45 3HB ASN 45 5.259 8.438 -9.907 372 HD21 ASN 45 1HD2 ASN 45 6.936 11.414 -10.681 373 HD22 ASN 45 2HD2 ASN 45 6.288 12.328 -9.369 374 H ILE 46 H ILE 46 6.996 6.039 -8.738 375 HA ILE 46 HA ILE 46 7.231 6.931 -5.921 376 HB ILE 46 HB ILE 46 5.582 4.592 -6.992 377 HG12 ILE 46 2HG1 ILE 46 4.661 7.368 -6.116 378 HG13 ILE 46 3HG1 ILE 46 4.614 6.732 -7.754 379 HG21 ILE 46 1HG2 ILE 46 6.341 4.252 -4.678 380 HG22 ILE 46 2HG2 ILE 46 4.601 4.531 -4.724 381 HG23 ILE 46 3HG2 ILE 46 5.686 5.825 -4.215 382 HD11 ILE 46 1HD1 ILE 46 2.422 6.725 -6.762 383 HD12 ILE 46 2HD1 ILE 46 2.988 5.741 -5.414 384 HD13 ILE 46 3HD1 ILE 46 2.954 5.070 -7.049 385 H ASP 47 H ASP 47 8.756 5.949 -4.708 386 HA ASP 47 HA ASP 47 10.495 3.885 -5.829 387 HB2 ASP 47 2HB ASP 47 11.617 5.708 -4.725 388 HB3 ASP 47 3HB ASP 47 10.595 5.574 -3.303 389 H MET 48 H MET 48 8.203 4.312 -3.199 390 HA MET 48 HA MET 48 7.796 1.458 -2.930 391 HB2 MET 48 2HB MET 48 8.122 1.542 -0.416 392 HB3 MET 48 3HB MET 48 9.594 1.638 -1.364 393 HG2 MET 48 2HG MET 48 9.596 4.108 -1.023 394 HG3 MET 48 3HG MET 48 8.210 3.919 0.054 395 HE1 MET 48 1HE MET 48 8.323 2.403 2.307 396 HE2 MET 48 2HE MET 48 9.810 1.663 2.896 397 HE3 MET 48 3HE MET 48 9.043 1.052 1.431 398 H ILE 49 H ILE 49 5.749 1.010 -2.359 399 HA ILE 49 HA ILE 49 3.914 3.221 -1.680 400 HB ILE 49 HB ILE 49 3.825 3.011 -4.109 401 HG12 ILE 49 2HG1 ILE 49 1.374 1.760 -2.794 402 HG13 ILE 49 3HG1 ILE 49 1.669 3.474 -3.064 403 HG21 ILE 49 1HG2 ILE 49 3.234 0.062 -3.750 404 HG22 ILE 49 2HG2 ILE 49 4.737 0.755 -4.360 405 HG23 ILE 49 3HG2 ILE 49 3.248 0.939 -5.285 406 HD11 ILE 49 1HD1 ILE 49 1.182 1.385 -5.188 407 HD12 ILE 49 2HD1 ILE 49 1.554 3.083 -5.496 408 HD13 ILE 49 3HD1 ILE 49 0.070 2.645 -4.653 409 H ILE 50 H ILE 50 2.222 2.625 -0.380 410 HA ILE 50 HA ILE 50 1.887 -0.238 0.353 411 HB ILE 50 HB ILE 50 1.849 2.138 2.288 412 HG12 ILE 50 2HG1 ILE 50 3.870 -0.143 2.067 413 HG13 ILE 50 3HG1 ILE 50 4.152 1.514 1.557 414 HG21 ILE 50 1HG2 ILE 50 1.567 0.433 4.071 415 HG22 ILE 50 2HG2 ILE 50 1.431 -0.822 2.838 416 HG23 ILE 50 3HG2 ILE 50 0.207 0.445 2.945 417 HD11 ILE 50 1HD1 ILE 50 3.944 2.257 3.878 418 HD12 ILE 50 2HD1 ILE 50 5.227 1.070 3.654 419 HD13 ILE 50 3HD1 ILE 50 3.699 0.582 4.385 420 H VAL 51 H VAL 51 -0.135 -0.816 -0.193 421 HA VAL 51 HA VAL 51 -2.238 1.250 -0.487 422 HB VAL 51 HB VAL 51 -2.028 -1.397 -1.998 423 HG11 VAL 51 1HG1 VAL 51 -3.869 0.983 -2.441 424 HG12 VAL 51 2HG1 VAL 51 -4.342 -0.580 -1.772 425 HG13 VAL 51 3HG1 VAL 51 -3.798 -0.466 -3.448 426 HG21 VAL 51 1HG2 VAL 51 -1.295 1.398 -2.930 427 HG22 VAL 51 2HG2 VAL 51 -1.394 -0.021 -3.969 428 HG23 VAL 51 3HG2 VAL 51 -0.187 0.044 -2.684 429 H LYS 52 H LYS 52 -3.694 1.101 1.123 430 HA LYS 52 HA LYS 52 -4.549 -1.532 2.144 431 HB2 LYS 52 2HB LYS 52 -3.917 0.055 3.881 432 HB3 LYS 52 3HB LYS 52 -4.953 1.291 3.189 433 HG2 LYS 52 2HG LYS 52 -5.986 0.388 5.182 434 HG3 LYS 52 3HG LYS 52 -6.950 -0.049 3.769 435 HD2 LYS 52 2HD LYS 52 -6.024 -2.305 3.792 436 HD3 LYS 52 3HD LYS 52 -4.943 -1.886 5.127 437 HE2 LYS 52 2HE LYS 52 -6.845 -3.135 5.955 438 HE3 LYS 52 3HE LYS 52 -6.925 -1.489 6.569 439 HZ1 LYS 52 1HZ LYS 52 -8.452 -2.555 4.272 440 HZ2 LYS 52 2HZ LYS 52 -8.567 -0.989 4.887 441 HZ3 LYS 52 3HZ LYS 52 -9.068 -2.306 5.819 442 H THR 53 H THR 53 -6.016 -2.308 0.756 443 HA THR 53 HA THR 53 -8.625 -1.159 0.667 444 HB THR 53 HB THR 53 -7.641 0.106 -1.251 445 HG1 THR 53 HG1 THR 53 -9.866 -0.533 -1.306 446 HG21 THR 53 1HG2 THR 53 -7.249 -2.601 -2.576 447 HG22 THR 53 2HG2 THR 53 -5.952 -1.549 -2.005 448 HG23 THR 53 3HG2 THR 53 -6.992 -1.023 -3.329 449 H GLU 54 H GLU 54 -10.139 -2.653 -0.483 450 HA GLU 54 HA GLU 54 -9.279 -5.477 -0.120 451 HB2 GLU 54 2HB GLU 54 -10.677 -4.424 1.745 452 HB3 GLU 54 3HB GLU 54 -12.001 -4.291 0.597 453 HG2 GLU 54 2HG GLU 54 -12.133 -6.711 0.408 454 HG3 GLU 54 3HG GLU 54 -10.690 -6.906 1.404 455 H ASP 55 H ASP 55 -9.844 -3.460 -2.482 456 HA ASP 55 HA ASP 55 -11.731 -5.083 -4.068 457 HB2 ASP 55 2HB ASP 55 -11.946 -2.582 -4.123 458 HB3 ASP 55 3HB ASP 55 -10.319 -2.464 -4.783 459 H LYS 56 H LYS 56 -10.722 -6.885 -4.778 460 HA LYS 56 HA LYS 56 -8.008 -7.397 -5.012 461 HB2 LYS 56 2HB LYS 56 -10.231 -8.740 -6.607 462 HB3 LYS 56 3HB LYS 56 -8.629 -9.410 -6.303 463 HG2 LYS 56 2HG LYS 56 -9.143 -9.534 -3.888 464 HG3 LYS 56 3HG LYS 56 -10.753 -8.876 -4.197 465 HD2 LYS 56 2HD LYS 56 -9.658 -11.505 -5.282 466 HD3 LYS 56 3HD LYS 56 -10.831 -11.335 -3.974 467 HE2 LYS 56 2HE LYS 56 -12.480 -10.403 -5.508 468 HE3 LYS 56 3HE LYS 56 -11.305 -10.382 -6.825 469 HZ1 LYS 56 1HZ LYS 56 -12.383 -12.802 -5.483 470 HZ2 LYS 56 2HZ LYS 56 -11.212 -12.806 -6.701 471 HZ3 LYS 56 3HZ LYS 56 -12.774 -12.258 -7.035 472 H GLU 57 H GLU 57 -10.267 -6.335 -7.530 473 HA GLU 57 HA GLU 57 -8.674 -6.899 -9.775 474 HB2 GLU 57 2HB GLU 57 -10.875 -4.804 -9.538 475 HB3 GLU 57 3HB GLU 57 -10.213 -5.425 -11.047 476 HG2 GLU 57 2HG GLU 57 -11.901 -6.894 -9.016 477 HG3 GLU 57 3HG GLU 57 -12.298 -6.529 -10.692 478 H SER 58 H SER 58 -9.055 -3.918 -7.881 479 HA SER 58 HA SER 58 -7.305 -2.352 -9.517 480 HB2 SER 58 2HB SER 58 -7.521 -0.648 -7.730 481 HB3 SER 58 3HB SER 58 -9.084 -1.269 -8.248 482 HG SER 58 HG SER 58 -9.022 -2.652 -6.397 483 H ILE 59 H ILE 59 -6.963 -4.061 -6.376 484 HA ILE 59 HA ILE 59 -4.411 -3.370 -5.567 485 HB ILE 59 HB ILE 59 -5.771 -6.106 -5.416 486 HG12 ILE 59 2HG1 ILE 59 -5.440 -3.961 -3.270 487 HG13 ILE 59 3HG1 ILE 59 -6.910 -4.263 -4.182 488 HG21 ILE 59 1HG2 ILE 59 -3.256 -5.237 -3.954 489 HG22 ILE 59 2HG2 ILE 59 -3.361 -6.470 -5.212 490 HG23 ILE 59 3HG2 ILE 59 -4.146 -6.732 -3.657 491 HD11 ILE 59 1HD1 ILE 59 -5.607 -6.172 -2.239 492 HD12 ILE 59 2HD1 ILE 59 -7.064 -6.501 -3.181 493 HD13 ILE 59 3HD1 ILE 59 -7.067 -5.217 -1.973 494 H SER 60 H SER 60 -5.343 -6.004 -7.757 495 HA SER 60 HA SER 60 -2.878 -7.030 -8.458 496 HB2 SER 60 2HB SER 60 -5.065 -8.076 -9.025 497 HB3 SER 60 3HB SER 60 -5.356 -6.813 -10.220 498 HG SER 60 HG SER 60 -4.202 -7.923 -11.566 499 H GLU 61 H GLU 61 -4.681 -4.294 -9.948 500 HA GLU 61 HA GLU 61 -2.965 -3.851 -12.142 501 HB2 GLU 61 2HB GLU 61 -4.688 -1.769 -10.725 502 HB3 GLU 61 3HB GLU 61 -4.009 -1.622 -12.344 503 HG2 GLU 61 2HG GLU 61 -6.175 -3.503 -11.412 504 HG3 GLU 61 3HG GLU 61 -6.326 -2.176 -12.556 505 H ILE 62 H ILE 62 -3.044 -2.298 -8.909 506 HA ILE 62 HA ILE 62 -0.919 -0.530 -9.142 507 HB ILE 62 HB ILE 62 -2.044 -2.022 -6.754 508 HG12 ILE 62 2HG1 ILE 62 -2.369 0.385 -5.895 509 HG13 ILE 62 3HG1 ILE 62 -1.814 0.941 -7.466 510 HG21 ILE 62 1HG2 ILE 62 0.456 -0.303 -6.562 511 HG22 ILE 62 2HG2 ILE 62 0.359 -2.040 -6.263 512 HG23 ILE 62 3HG2 ILE 62 -0.472 -0.918 -5.194 513 HD11 ILE 62 1HD1 ILE 62 -4.271 -0.709 -6.933 514 HD12 ILE 62 2HD1 ILE 62 -3.719 -0.162 -8.519 515 HD13 ILE 62 3HD1 ILE 62 -4.214 1.015 -7.301 516 H ILE 63 H ILE 63 -0.797 -3.950 -8.064 517 HA ILE 63 HA ILE 63 1.966 -4.122 -7.571 518 HB ILE 63 HB ILE 63 0.149 -6.416 -8.449 519 HG12 ILE 63 2HG1 ILE 63 0.746 -5.512 -5.591 520 HG13 ILE 63 3HG1 ILE 63 -0.725 -5.092 -6.464 521 HG21 ILE 63 1HG2 ILE 63 1.729 -7.870 -7.206 522 HG22 ILE 63 2HG2 ILE 63 2.747 -6.472 -6.855 523 HG23 ILE 63 3HG2 ILE 63 2.542 -7.015 -8.521 524 HD11 ILE 63 1HD1 ILE 63 0.172 -7.875 -5.754 525 HD12 ILE 63 2HD1 ILE 63 -1.290 -7.458 -6.654 526 HD13 ILE 63 3HD1 ILE 63 -1.108 -6.942 -4.979 527 H LYS 64 H LYS 64 0.099 -4.837 -10.528 528 HA LYS 64 HA LYS 64 2.081 -5.924 -12.175 529 HB2 LYS 64 2HB LYS 64 -0.391 -4.260 -12.817 530 HB3 LYS 64 3HB LYS 64 0.599 -4.999 -14.074 531 HG2 LYS 64 2HG LYS 64 -0.006 -7.194 -13.442 532 HG3 LYS 64 3HG LYS 64 -0.583 -6.680 -11.855 533 HD2 LYS 64 2HD LYS 64 -2.467 -7.266 -13.317 534 HD3 LYS 64 3HD LYS 64 -2.509 -5.554 -12.899 535 HE2 LYS 64 2HE LYS 64 -1.552 -5.005 -15.116 536 HE3 LYS 64 3HE LYS 64 -1.531 -6.723 -15.522 537 HZ1 LYS 64 1HZ LYS 64 -3.987 -5.194 -14.842 538 HZ2 LYS 64 2HZ LYS 64 -3.909 -6.793 -15.383 539 HZ3 LYS 64 3HZ LYS 64 -3.474 -5.529 -16.416 540 H GLN 65 H GLN 65 1.172 -2.553 -11.580 541 HA GLN 65 HA GLN 65 3.044 -1.456 -13.491 542 HB2 GLN 65 2HB GLN 65 1.429 -0.012 -11.355 543 HB3 GLN 65 3HB GLN 65 2.181 0.712 -12.775 544 HG2 GLN 65 2HG GLN 65 -0.105 -1.276 -12.792 545 HG3 GLN 65 3HG GLN 65 -0.244 0.453 -13.060 546 HE21 GLN 65 1HE2 GLN 65 0.210 1.261 -15.053 547 HE22 GLN 65 2HE2 GLN 65 0.612 0.300 -16.425 548 H VAL 66 H VAL 66 3.079 -2.130 -10.024 549 HA VAL 66 HA VAL 66 5.373 -0.536 -9.357 550 HB VAL 66 HB VAL 66 4.228 -2.966 -7.882 551 HG11 VAL 66 1HG1 VAL 66 6.577 -2.592 -7.265 552 HG12 VAL 66 2HG1 VAL 66 5.524 -2.142 -5.927 553 HG13 VAL 66 3HG1 VAL 66 6.242 -0.890 -6.938 554 HG21 VAL 66 1HG2 VAL 66 2.629 -1.080 -8.006 555 HG22 VAL 66 2HG2 VAL 66 3.834 -0.012 -7.298 556 HG23 VAL 66 3HG2 VAL 66 3.181 -1.353 -6.355 557 H LEU 67 H LEU 67 4.850 -3.962 -10.166 558 HA LEU 67 HA LEU 67 7.471 -4.922 -9.880 559 HB2 LEU 67 2HB LEU 67 5.239 -5.899 -11.713 560 HB3 LEU 67 3HB LEU 67 6.733 -6.781 -11.436 561 HG LEU 67 HG LEU 67 4.605 -6.187 -9.342 562 HD11 LEU 67 1HD1 LEU 67 3.869 -7.862 -10.950 563 HD12 LEU 67 2HD1 LEU 67 4.169 -8.602 -9.380 564 HD13 LEU 67 3HD1 LEU 67 5.340 -8.804 -10.688 565 HD21 LEU 67 1HD2 LEU 67 5.897 -7.634 -7.832 566 HD22 LEU 67 2HD2 LEU 67 6.813 -6.204 -8.298 567 HD23 LEU 67 3HD2 LEU 67 7.181 -7.765 -9.038 568 H ASP 68 H ASP 68 5.735 -3.529 -12.635 569 HA ASP 68 HA ASP 68 7.855 -3.755 -14.539 570 HB2 ASP 68 2HB ASP 68 5.403 -3.554 -15.125 571 HB3 ASP 68 3HB ASP 68 5.447 -1.876 -14.600 572 H SER 69 H SER 69 6.910 -1.292 -12.174 573 HA SER 69 HA SER 69 8.762 0.748 -13.027 574 HB2 SER 69 2HB SER 69 6.716 1.299 -11.707 575 HB3 SER 69 3HB SER 69 7.348 0.391 -10.334 576 HG SER 69 HG SER 69 9.040 1.900 -10.178 577 H GLY 70 H GLY 70 8.962 -2.138 -11.094 578 HA2 GLY 70 2HA GLY 70 10.672 -3.170 -9.970 579 HA3 GLY 70 3HA GLY 70 11.776 -1.962 -10.609 580 H ALA 71 H ALA 71 8.909 -1.301 -8.676 581 HA ALA 71 HA ALA 71 10.545 -0.009 -6.584 582 HB1 ALA 71 1HB ALA 71 8.465 1.211 -6.030 583 HB2 ALA 71 2HB ALA 71 7.600 0.314 -7.280 584 HB3 ALA 71 3HB ALA 71 8.901 1.420 -7.728 585 H LYS 72 H LYS 72 9.187 -0.029 -4.369 586 HA LYS 72 HA LYS 72 8.624 -2.832 -3.650 587 HB2 LYS 72 2HB LYS 72 9.131 -0.356 -1.947 588 HB3 LYS 72 3HB LYS 72 8.530 -1.858 -1.260 589 HG2 LYS 72 2HG LYS 72 10.840 -1.898 -0.860 590 HG3 LYS 72 3HG LYS 72 10.598 -2.986 -2.223 591 HD2 LYS 72 2HD LYS 72 12.559 -1.677 -2.679 592 HD3 LYS 72 3HD LYS 72 11.285 -1.087 -3.751 593 HE2 LYS 72 2HE LYS 72 10.893 0.818 -2.240 594 HE3 LYS 72 3HE LYS 72 12.122 0.200 -1.131 595 HZ1 LYS 72 1HZ LYS 72 13.772 0.478 -2.852 596 HZ2 LYS 72 2HZ LYS 72 12.995 1.943 -2.539 597 HZ3 LYS 72 3HZ LYS 72 12.605 1.065 -3.923 598 H VAL 73 H VAL 73 6.651 -3.464 -2.761 599 HA VAL 73 HA VAL 73 4.478 -1.533 -2.442 600 HB VAL 73 HB VAL 73 4.155 -2.211 -4.728 601 HG11 VAL 73 1HG1 VAL 73 3.830 -4.553 -5.458 602 HG12 VAL 73 2HG1 VAL 73 4.271 -5.107 -3.842 603 HG13 VAL 73 3HG1 VAL 73 5.454 -4.252 -4.832 604 HG21 VAL 73 1HG2 VAL 73 2.123 -3.662 -2.989 605 HG22 VAL 73 2HG2 VAL 73 1.882 -3.170 -4.669 606 HG23 VAL 73 3HG2 VAL 73 2.101 -1.948 -3.416 607 H LEU 74 H LEU 74 3.284 -1.947 -0.706 608 HA LEU 74 HA LEU 74 3.214 -4.649 0.498 609 HB2 LEU 74 2HB LEU 74 4.395 -3.150 2.006 610 HB3 LEU 74 3HB LEU 74 3.153 -1.919 1.845 611 HG LEU 74 HG LEU 74 1.540 -3.351 3.063 612 HD11 LEU 74 1HD1 LEU 74 2.316 -5.547 2.405 613 HD12 LEU 74 2HD1 LEU 74 2.226 -5.425 4.160 614 HD13 LEU 74 3HD1 LEU 74 3.795 -5.344 3.349 615 HD21 LEU 74 1HD2 LEU 74 2.906 -1.773 4.350 616 HD22 LEU 74 2HD2 LEU 74 4.131 -3.018 4.603 617 HD23 LEU 74 3HD2 LEU 74 2.517 -3.209 5.295 618 H ILE 75 H ILE 75 1.298 -5.505 0.055 619 HA ILE 75 HA ILE 75 -1.109 -3.884 -0.286 620 HB ILE 75 HB ILE 75 -0.603 -6.854 -0.749 621 HG12 ILE 75 2HG1 ILE 75 0.507 -5.486 -2.429 622 HG13 ILE 75 3HG1 ILE 75 -0.892 -6.245 -3.173 623 HG21 ILE 75 1HG2 ILE 75 -3.159 -5.297 -1.292 624 HG22 ILE 75 2HG2 ILE 75 -2.944 -6.561 -0.078 625 HG23 ILE 75 3HG2 ILE 75 -2.846 -6.962 -1.795 626 HD11 ILE 75 1HD1 ILE 75 -2.118 -4.119 -3.002 627 HD12 ILE 75 2HD1 ILE 75 -0.620 -3.966 -3.921 628 HD13 ILE 75 3HD1 ILE 75 -0.696 -3.371 -2.265 629 H LEU 76 H LEU 76 -2.436 -3.584 1.301 630 HA LEU 76 HA LEU 76 -2.610 -5.412 3.607 631 HB2 LEU 76 2HB LEU 76 -3.067 -2.395 3.501 632 HB3 LEU 76 3HB LEU 76 -3.264 -3.400 4.929 633 HG LEU 76 HG LEU 76 -0.621 -2.899 3.494 634 HD11 LEU 76 1HD1 LEU 76 -1.419 -0.876 4.615 635 HD12 LEU 76 2HD1 LEU 76 -0.002 -1.535 5.427 636 HD13 LEU 76 3HD1 LEU 76 -1.608 -1.764 6.129 637 HD21 LEU 76 1HD2 LEU 76 -0.662 -5.093 4.547 638 HD22 LEU 76 2HD2 LEU 76 -1.189 -4.384 6.076 639 HD23 LEU 76 3HD2 LEU 76 0.412 -4.009 5.431 640 H SER 77 H SER 77 -4.518 -6.444 3.625 641 HA SER 77 HA SER 77 -6.976 -5.117 2.683 642 HB2 SER 77 2HB SER 77 -6.225 -7.990 1.943 643 HB3 SER 77 3HB SER 77 -7.695 -7.131 1.473 644 HG SER 77 HG SER 77 -6.028 -5.577 0.520 645 H SER 78 H SER 78 -8.782 -5.682 3.901 646 HA SER 78 HA SER 78 -8.299 -6.633 6.541 647 HB2 SER 78 2HB SER 78 -10.980 -6.126 5.184 648 HB3 SER 78 3HB SER 78 -10.673 -6.184 6.923 649 HG SER 78 HG SER 78 -10.755 -4.033 6.054 650 H ASP 79 H ASP 79 -9.647 -8.081 3.650 651 HA ASP 79 HA ASP 79 -10.371 -10.581 4.947 652 HB2 ASP 79 2HB ASP 79 -11.794 -9.654 3.134 653 HB3 ASP 79 3HB ASP 79 -10.456 -9.810 2.000 654 H GLU 80 H GLU 80 -9.072 -12.238 5.165 655 HA GLU 80 HA GLU 80 -6.325 -12.178 4.423 656 HB2 GLU 80 2HB GLU 80 -7.344 -13.128 6.555 657 HB3 GLU 80 3HB GLU 80 -7.862 -14.516 5.610 658 HG2 GLU 80 2HG GLU 80 -5.539 -15.083 5.110 659 HG3 GLU 80 3HG GLU 80 -4.978 -13.636 5.950 660 H ASN 81 H ASN 81 -9.165 -13.648 2.978 661 HA ASN 81 HA ASN 81 -7.814 -15.703 1.475 662 HB2 ASN 81 2HB ASN 81 -10.528 -14.457 0.838 663 HB3 ASN 81 3HB ASN 81 -9.927 -16.024 0.303 664 HD21 ASN 81 1HD2 ASN 81 -11.300 -14.229 2.943 665 HD22 ASN 81 2HD2 ASN 81 -11.639 -15.586 3.957 666 H ILE 82 H ILE 82 -8.718 -12.329 0.967 667 HA ILE 82 HA ILE 82 -7.960 -12.100 -1.778 668 HB ILE 82 HB ILE 82 -8.216 -9.978 0.404 669 HG12 ILE 82 2HG1 ILE 82 -10.028 -10.702 -1.941 670 HG13 ILE 82 3HG1 ILE 82 -10.332 -11.079 -0.252 671 HG21 ILE 82 1HG2 ILE 82 -7.738 -9.491 -2.564 672 HG22 ILE 82 2HG2 ILE 82 -6.602 -9.138 -1.261 673 HG23 ILE 82 3HG2 ILE 82 -8.118 -8.245 -1.371 674 HD11 ILE 82 1HD1 ILE 82 -10.236 -8.322 -1.456 675 HD12 ILE 82 2HD1 ILE 82 -10.528 -8.703 0.244 676 HD13 ILE 82 3HD1 ILE 82 -11.676 -9.223 -0.986 677 H ILE 83 H ILE 83 -6.285 -11.314 1.318 678 HA ILE 83 HA ILE 83 -3.766 -10.612 0.372 679 HB ILE 83 HB ILE 83 -4.569 -12.140 2.885 680 HG12 ILE 83 2HG1 ILE 83 -5.345 -9.786 2.706 681 HG13 ILE 83 3HG1 ILE 83 -4.200 -9.979 4.026 682 HG21 ILE 83 1HG2 ILE 83 -2.330 -11.693 3.851 683 HG22 ILE 83 2HG2 ILE 83 -1.777 -11.090 2.289 684 HG23 ILE 83 3HG2 ILE 83 -2.242 -12.783 2.464 685 HD11 ILE 83 1HD1 ILE 83 -3.815 -7.912 2.836 686 HD12 ILE 83 2HD1 ILE 83 -3.603 -8.776 1.316 687 HD13 ILE 83 3HD1 ILE 83 -2.431 -8.983 2.624 688 H GLU 84 H GLU 84 -5.048 -13.874 0.961 689 HA GLU 84 HA GLU 84 -2.776 -15.374 0.241 690 HB2 GLU 84 2HB GLU 84 -4.542 -16.409 1.521 691 HB3 GLU 84 3HB GLU 84 -5.740 -16.061 0.278 692 HG2 GLU 84 2HG GLU 84 -5.081 -18.451 0.340 693 HG3 GLU 84 3HG GLU 84 -4.762 -17.691 -1.218 694 H SER 85 H SER 85 -5.616 -14.342 -1.719 695 HA SER 85 HA SER 85 -4.985 -15.612 -4.121 696 HB2 SER 85 2HB SER 85 -6.358 -12.919 -3.718 697 HB3 SER 85 3HB SER 85 -6.440 -13.904 -5.184 698 HG SER 85 HG SER 85 -7.913 -14.076 -2.949 699 H ILE 86 H ILE 86 -3.969 -12.504 -2.826 700 HA ILE 86 HA ILE 86 -2.550 -11.586 -5.119 701 HB ILE 86 HB ILE 86 -2.513 -10.691 -2.204 702 HG12 ILE 86 2HG1 ILE 86 -4.710 -10.366 -3.182 703 HG13 ILE 86 3HG1 ILE 86 -3.945 -8.790 -3.068 704 HG21 ILE 86 1HG2 ILE 86 -0.433 -9.949 -3.231 705 HG22 ILE 86 2HG2 ILE 86 -1.503 -8.568 -2.978 706 HG23 ILE 86 3HG2 ILE 86 -1.320 -9.261 -4.591 707 HD11 ILE 86 1HD1 ILE 86 -4.266 -10.456 -5.570 708 HD12 ILE 86 2HD1 ILE 86 -3.430 -8.901 -5.484 709 HD13 ILE 86 3HD1 ILE 86 -5.154 -8.996 -5.134 710 H ARG 87 H ARG 87 -1.674 -13.537 -2.296 711 HA ARG 87 HA ARG 87 1.162 -13.442 -2.682 712 HB2 ARG 87 2HB ARG 87 -0.573 -15.447 -1.181 713 HB3 ARG 87 3HB ARG 87 1.191 -15.473 -1.175 714 HG2 ARG 87 2HG ARG 87 1.106 -13.103 -0.266 715 HG3 ARG 87 3HG ARG 87 -0.625 -13.337 -0.045 716 HD2 ARG 87 2HD ARG 87 1.535 -15.054 1.204 717 HD3 ARG 87 3HD ARG 87 0.699 -13.726 2.013 718 HE ARG 87 HE ARG 87 -1.003 -15.847 0.969 719 HH11 ARG 87 1HH1 ARG 87 0.766 -14.627 3.760 720 HH12 ARG 87 2HH1 ARG 87 -0.165 -15.529 4.906 721 HH21 ARG 87 1HH2 ARG 87 -2.215 -17.041 2.477 722 HH22 ARG 87 2HH2 ARG 87 -1.869 -16.909 4.165 723 H LYS 88 H LYS 88 -1.345 -15.812 -3.657 724 HA LYS 88 HA LYS 88 0.546 -17.654 -4.773 725 HB2 LYS 88 2HB LYS 88 -1.386 -18.905 -5.636 726 HB3 LYS 88 3HB LYS 88 -1.567 -18.503 -3.936 727 HG2 LYS 88 2HG LYS 88 -3.185 -16.761 -4.463 728 HG3 LYS 88 3HG LYS 88 -2.929 -17.002 -6.195 729 HD2 LYS 88 2HD LYS 88 -5.013 -18.109 -5.420 730 HD3 LYS 88 3HD LYS 88 -3.852 -19.275 -6.054 731 HE2 LYS 88 2HE LYS 88 -3.165 -19.782 -3.689 732 HE3 LYS 88 3HE LYS 88 -4.449 -18.710 -3.128 733 HZ1 LYS 88 1HZ LYS 88 -5.194 -20.979 -3.090 734 HZ2 LYS 88 2HZ LYS 88 -4.791 -21.197 -4.715 735 HZ3 LYS 88 3HZ LYS 88 -6.045 -20.149 -4.295 736 H GLN 89 H GLN 89 -1.397 -15.025 -6.122 737 HA GLN 89 HA GLN 89 -0.631 -15.478 -8.846 738 HB2 GLN 89 2HB GLN 89 -1.653 -12.963 -7.458 739 HB3 GLN 89 3HB GLN 89 -1.425 -13.110 -9.198 740 HG2 GLN 89 2HG GLN 89 -3.117 -14.895 -9.279 741 HG3 GLN 89 3HG GLN 89 -3.340 -14.773 -7.536 742 HE21 GLN 89 1HE2 GLN 89 -4.377 -12.890 -6.687 743 HE22 GLN 89 2HE2 GLN 89 -5.373 -11.895 -7.688 744 H TYR 90 H TYR 90 0.531 -13.250 -6.275 745 HA TYR 90 HA TYR 90 2.964 -12.666 -7.899 746 HB2 TYR 90 2HB TYR 90 1.514 -10.769 -6.001 747 HB3 TYR 90 3HB TYR 90 2.943 -10.390 -6.956 748 HD1 TYR 90 HD1 TYR 90 2.743 -10.363 -9.502 749 HD2 TYR 90 HD2 TYR 90 -0.680 -10.512 -6.940 750 HE1 TYR 90 HE1 TYR 90 1.322 -9.586 -11.344 751 HE2 TYR 90 HE2 TYR 90 -2.103 -9.741 -8.793 752 HH TYR 90 HH TYR 90 -1.848 -8.480 -10.909 753 HA PRO 91 HA PRO 91 4.888 -14.201 -3.985 754 HB2 PRO 91 2HB PRO 91 7.287 -14.879 -5.194 755 HB3 PRO 91 3HB PRO 91 5.885 -15.963 -5.113 756 HG2 PRO 91 2HG PRO 91 6.796 -14.242 -7.390 757 HG3 PRO 91 3HG PRO 91 6.189 -15.915 -7.410 758 HD2 PRO 91 2HD PRO 91 4.617 -13.801 -8.082 759 HD3 PRO 91 3HD PRO 91 3.965 -15.257 -7.297 760 H LYS 92 H LYS 92 6.024 -11.923 -6.476 761 HA LYS 92 HA LYS 92 8.192 -10.849 -4.902 762 HB2 LYS 92 2HB LYS 92 6.932 -9.884 -7.492 763 HB3 LYS 92 3HB LYS 92 8.373 -9.177 -6.782 764 HG2 LYS 92 2HG LYS 92 8.140 -12.038 -7.770 765 HG3 LYS 92 3HG LYS 92 8.836 -10.700 -8.673 766 HD2 LYS 92 2HD LYS 92 10.790 -11.565 -7.837 767 HD3 LYS 92 3HD LYS 92 10.393 -10.523 -6.472 768 HE2 LYS 92 2HE LYS 92 11.076 -12.722 -5.675 769 HE3 LYS 92 3HE LYS 92 9.365 -12.487 -5.324 770 HZ1 LYS 92 1HZ LYS 92 8.840 -13.834 -7.293 771 HZ2 LYS 92 2HZ LYS 92 9.781 -14.703 -6.191 772 HZ3 LYS 92 3HZ LYS 92 10.486 -14.065 -7.585 773 H VAL 93 H VAL 93 4.977 -10.367 -4.374 774 HA VAL 93 HA VAL 93 5.316 -7.541 -3.542 775 HB VAL 93 HB VAL 93 3.307 -8.042 -4.910 776 HG11 VAL 93 1HG1 VAL 93 2.372 -9.808 -2.631 777 HG12 VAL 93 2HG1 VAL 93 2.886 -10.363 -4.224 778 HG13 VAL 93 3HG1 VAL 93 1.435 -9.372 -4.065 779 HG21 VAL 93 1HG2 VAL 93 1.630 -6.906 -3.539 780 HG22 VAL 93 2HG2 VAL 93 3.217 -6.186 -3.274 781 HG23 VAL 93 3HG2 VAL 93 2.540 -7.280 -2.072 782 H GLU 94 H GLU 94 5.272 -6.944 -1.381 783 HA GLU 94 HA GLU 94 5.131 -8.946 0.722 784 HB2 GLU 94 2HB GLU 94 5.678 -5.985 0.594 785 HB3 GLU 94 3HB GLU 94 5.041 -6.609 2.112 786 HG2 GLU 94 2HG GLU 94 7.511 -6.453 2.068 787 HG3 GLU 94 3HG GLU 94 6.912 -8.079 2.391 788 H THR 95 H THR 95 3.317 -9.512 1.777 789 HA THR 95 HA THR 95 0.873 -7.864 1.538 790 HB THR 95 HB THR 95 -0.382 -10.119 1.570 791 HG1 THR 95 HG1 THR 95 1.978 -11.261 0.521 792 HG21 THR 95 1HG2 THR 95 -0.155 -10.535 -0.847 793 HG22 THR 95 2HG2 THR 95 1.318 -9.562 -0.888 794 HG23 THR 95 3HG2 THR 95 -0.232 -8.803 -0.515 795 H ARG 96 H ARG 96 -0.376 -7.767 3.368 796 HA ARG 96 HA ARG 96 0.014 -9.502 5.643 797 HB2 ARG 96 2HB ARG 96 1.751 -7.857 6.164 798 HB3 ARG 96 3HB ARG 96 0.664 -6.519 5.813 799 HG2 ARG 96 2HG ARG 96 -0.721 -7.128 7.771 800 HG3 ARG 96 3HG ARG 96 0.364 -8.473 8.119 801 HD2 ARG 96 2HD ARG 96 2.166 -6.975 8.672 802 HD3 ARG 96 3HD ARG 96 1.270 -5.579 8.056 803 HE ARG 96 HE ARG 96 -0.278 -6.741 10.055 804 HH11 ARG 96 1HH1 ARG 96 2.829 -5.093 9.892 805 HH12 ARG 96 2HH1 ARG 96 2.714 -4.486 11.512 806 HH21 ARG 96 1HH2 ARG 96 -0.418 -5.902 12.153 807 HH22 ARG 96 2HH2 ARG 96 0.881 -4.945 12.780 808 H ARG 97 H ARG 97 -1.958 -9.875 6.455 809 HA ARG 97 HA ARG 97 -4.316 -8.527 5.620 810 HB2 ARG 97 2HB ARG 97 -4.297 -10.904 6.365 811 HB3 ARG 97 3HB ARG 97 -3.885 -10.389 7.998 812 HG2 ARG 97 2HG ARG 97 -6.087 -9.120 8.044 813 HG3 ARG 97 3HG ARG 97 -6.486 -9.898 6.510 814 HD2 ARG 97 2HD ARG 97 -6.212 -12.114 7.611 815 HD3 ARG 97 3HD ARG 97 -5.915 -11.289 9.143 816 HE ARG 97 HE ARG 97 -8.361 -10.362 8.177 817 HH11 ARG 97 1HH1 ARG 97 -6.993 -13.426 9.226 818 HH12 ARG 97 2HH1 ARG 97 -8.508 -14.047 9.799 819 HH21 ARG 97 1HH2 ARG 97 -10.347 -11.187 8.980 820 HH22 ARG 97 2HH2 ARG 97 -10.403 -12.781 9.662 821 H ALA 98 H ALA 98 -5.235 -6.742 6.444 822 HA ALA 98 HA ALA 98 -4.495 -5.705 9.099 823 HB1 ALA 98 1HB ALA 98 -2.974 -4.608 7.490 824 HB2 ALA 98 2HB ALA 98 -4.124 -3.448 8.155 825 HB3 ALA 98 3HB ALA 98 -4.351 -4.077 6.519 826 H GLN 99 H GLN 99 -6.413 -5.750 10.033 827 HA GLN 99 HA GLN 99 -8.903 -5.032 8.595 828 HB2 GLN 99 2HB GLN 99 -8.499 -6.395 11.302 829 HB3 GLN 99 3HB GLN 99 -10.046 -6.160 10.487 830 HG2 GLN 99 2HG GLN 99 -9.516 -7.731 8.788 831 HG3 GLN 99 3HG GLN 99 -7.809 -7.758 9.228 832 HE21 GLN 99 1HE2 GLN 99 -7.155 -8.961 11.036 833 HE22 GLN 99 2HE2 GLN 99 -8.179 -10.144 11.773 834 H ASP 100 H ASP 100 -6.968 -4.386 11.443 835 HA ASP 100 HA ASP 100 -8.637 -2.175 12.379 836 HB2 ASP 100 2HB ASP 100 -6.007 -3.247 13.493 837 HB3 ASP 100 3HB ASP 100 -7.123 -2.161 14.309 838 H LYS 101 H LYS 101 -8.088 -0.033 12.116 839 HA LYS 101 HA LYS 101 -6.191 0.836 10.204 840 HB2 LYS 101 2HB LYS 101 -6.791 3.129 10.956 841 HB3 LYS 101 3HB LYS 101 -8.209 2.119 10.698 842 HG2 LYS 101 2HG LYS 101 -8.264 1.701 13.193 843 HG3 LYS 101 3HG LYS 101 -6.995 2.920 13.361 844 HD2 LYS 101 2HD LYS 101 -8.512 4.620 12.354 845 HD3 LYS 101 3HD LYS 101 -9.773 3.391 12.188 846 HE2 LYS 101 2HE LYS 101 -9.719 3.096 14.682 847 HE3 LYS 101 3HE LYS 101 -8.589 4.448 14.775 848 HZ1 LYS 101 1HZ LYS 101 -11.372 4.550 13.748 849 HZ2 LYS 101 2HZ LYS 101 -10.298 5.845 13.723 850 HZ3 LYS 101 3HZ LYS 101 -10.815 5.208 15.198 851 H GLU 102 H GLU 102 -5.988 0.400 13.661 852 HA GLU 102 HA GLU 102 -3.474 1.637 14.137 853 HB2 GLU 102 2HB GLU 102 -3.418 0.105 16.186 854 HB3 GLU 102 3HB GLU 102 -4.808 1.179 16.066 855 HG2 GLU 102 2HG GLU 102 -6.158 -0.698 15.168 856 HG3 GLU 102 3HG GLU 102 -4.762 -1.762 15.351 857 H GLU 103 H GLU 103 -4.374 -1.714 13.240 858 HA GLU 103 HA GLU 103 -1.735 -2.748 13.082 859 HB2 GLU 103 2HB GLU 103 -4.347 -3.662 11.837 860 HB3 GLU 103 3HB GLU 103 -2.840 -4.543 11.608 861 HG2 GLU 103 2HG GLU 103 -4.151 -3.990 14.284 862 HG3 GLU 103 3HG GLU 103 -4.242 -5.508 13.392 863 H VAL 104 H VAL 104 -3.638 -0.852 10.829 864 HA VAL 104 HA VAL 104 -2.085 -1.430 8.492 865 HB VAL 104 HB VAL 104 -3.834 1.016 9.022 866 HG11 VAL 104 1HG1 VAL 104 -3.900 1.214 6.536 867 HG12 VAL 104 2HG1 VAL 104 -2.728 -0.090 6.413 868 HG13 VAL 104 3HG1 VAL 104 -2.275 1.432 7.182 869 HG21 VAL 104 1HG2 VAL 104 -4.538 -1.595 7.638 870 HG22 VAL 104 2HG2 VAL 104 -5.581 -0.176 7.738 871 HG23 VAL 104 3HG2 VAL 104 -5.141 -1.051 9.203 872 H LYS 105 H LYS 105 -2.172 1.418 10.726 873 HA LYS 105 HA LYS 105 0.022 2.734 9.497 874 HB2 LYS 105 2HB LYS 105 0.077 4.216 11.464 875 HB3 LYS 105 3HB LYS 105 -1.552 4.024 10.836 876 HG2 LYS 105 2HG LYS 105 -2.095 2.458 12.647 877 HG3 LYS 105 3HG LYS 105 -0.448 2.605 13.279 878 HD2 LYS 105 2HD LYS 105 -0.821 5.017 13.689 879 HD3 LYS 105 3HD LYS 105 -2.457 4.886 13.041 880 HE2 LYS 105 2HE LYS 105 -3.053 3.339 14.867 881 HE3 LYS 105 3HE LYS 105 -1.415 3.468 15.514 882 HZ1 LYS 105 1HZ LYS 105 -3.379 5.681 15.260 883 HZ2 LYS 105 2HZ LYS 105 -1.795 5.845 15.825 884 HZ3 LYS 105 3HZ LYS 105 -2.909 4.917 16.695 885 H ASP 106 H ASP 106 -0.170 0.426 12.195 886 HA ASP 106 HA ASP 106 2.509 0.234 12.864 887 HB2 ASP 106 2HB ASP 106 0.751 -1.029 14.045 888 HB3 ASP 106 3HB ASP 106 0.472 -2.028 12.618 889 H ALA 107 H ALA 107 0.767 -1.575 10.283 890 HA ALA 107 HA ALA 107 2.904 -3.106 9.333 891 HB1 ALA 107 1HB ALA 107 0.548 -3.558 8.805 892 HB2 ALA 107 2HB ALA 107 1.512 -3.450 7.331 893 HB3 ALA 107 3HB ALA 107 0.476 -2.101 7.814 894 H VAL 108 H VAL 108 1.840 0.128 8.455 895 HA VAL 108 HA VAL 108 3.516 0.601 6.229 896 HB VAL 108 HB VAL 108 2.245 2.567 8.197 897 HG11 VAL 108 1HG1 VAL 108 2.583 4.309 6.462 898 HG12 VAL 108 2HG1 VAL 108 3.497 3.156 5.490 899 HG13 VAL 108 3HG1 VAL 108 4.116 3.673 7.058 900 HG21 VAL 108 1HG2 VAL 108 0.609 1.192 6.965 901 HG22 VAL 108 2HG2 VAL 108 1.331 1.688 5.436 902 HG23 VAL 108 3HG2 VAL 108 0.521 2.878 6.458 903 H GLU 109 H GLU 109 3.798 1.511 9.681 904 HA GLU 109 HA GLU 109 6.298 2.784 9.531 905 HB2 GLU 109 2HB GLU 109 4.692 3.056 11.420 906 HB3 GLU 109 3HB GLU 109 5.038 1.409 11.941 907 HG2 GLU 109 2HG GLU 109 7.477 2.133 12.191 908 HG3 GLU 109 3HG GLU 109 6.916 3.786 11.931 909 H GLU 110 H GLU 110 5.448 -0.612 10.055 910 HA GLU 110 HA GLU 110 8.015 -1.574 10.810 911 HB2 GLU 110 2HB GLU 110 5.712 -3.081 9.486 912 HB3 GLU 110 3HB GLU 110 7.084 -3.827 10.296 913 HG2 GLU 110 2HG GLU 110 5.072 -2.039 11.681 914 HG3 GLU 110 3HG GLU 110 4.929 -3.783 11.599 915 H PHE 111 H PHE 111 6.290 -1.329 7.705 916 HA PHE 111 HA PHE 111 8.180 -2.638 6.048 917 HB2 PHE 111 2HB PHE 111 5.729 -2.137 5.522 918 HB3 PHE 111 3HB PHE 111 6.194 -0.472 5.219 919 HD1 PHE 111 HD1 PHE 111 6.704 -3.978 4.057 920 HD2 PHE 111 HD2 PHE 111 7.047 0.163 3.049 921 HE1 PHE 111 HE1 PHE 111 7.161 -4.577 1.717 922 HE2 PHE 111 HE2 PHE 111 7.507 -0.451 0.712 923 HZ PHE 111 HZ PHE 111 7.562 -2.820 0.044 924 H LEU 112 H LEU 112 7.873 0.621 7.247 925 HA LEU 112 HA LEU 112 9.813 1.858 5.519 926 HB2 LEU 112 2HB LEU 112 8.459 2.800 8.071 927 HB3 LEU 112 3HB LEU 112 9.506 3.816 7.088 928 HG LEU 112 HG LEU 112 6.948 2.544 6.035 929 HD11 LEU 112 1HD1 LEU 112 5.859 4.696 6.264 930 HD12 LEU 112 2HD1 LEU 112 7.300 5.378 7.022 931 HD13 LEU 112 3HD1 LEU 112 6.391 4.102 7.836 932 HD21 LEU 112 1HD2 LEU 112 8.644 4.773 4.888 933 HD22 LEU 112 2HD2 LEU 112 7.158 4.116 4.198 934 HD23 LEU 112 3HD2 LEU 112 8.593 3.105 4.309 935 H LYS 113 H LYS 113 9.811 0.853 8.995 936 HA LYS 113 HA LYS 113 12.417 1.811 9.572 937 HB2 LYS 113 2HB LYS 113 10.633 -0.185 11.026 938 HB3 LYS 113 3HB LYS 113 12.216 0.287 11.643 939 HG2 LYS 113 2HG LYS 113 11.389 2.692 11.596 940 HG3 LYS 113 3HG LYS 113 9.778 2.049 11.271 941 HD2 LYS 113 2HD LYS 113 9.799 0.833 13.403 942 HD3 LYS 113 3HD LYS 113 11.463 1.342 13.707 943 HE2 LYS 113 2HE LYS 113 9.015 3.130 13.593 944 HE3 LYS 113 3HE LYS 113 9.953 2.714 15.025 945 HZ1 LYS 113 1HZ LYS 113 10.525 4.898 14.241 946 HZ2 LYS 113 2HZ LYS 113 10.909 4.303 12.707 947 HZ3 LYS 113 3HZ LYS 113 11.852 3.869 14.046 948 H GLU 114 H GLU 114 11.241 -1.354 8.474 949 HA GLU 114 HA GLU 114 13.865 -2.587 8.684 950 HB2 GLU 114 2HB GLU 114 11.407 -3.664 7.256 951 HB3 GLU 114 3HB GLU 114 12.829 -4.578 7.743 952 HG2 GLU 114 2HG GLU 114 10.737 -3.343 9.544 953 HG3 GLU 114 3HG GLU 114 11.015 -5.057 9.262 954 H GLY 115 H GLY 115 12.684 -0.346 6.589 955 HA2 GLY 115 2HA GLY 115 13.793 0.673 4.866 956 HA3 GLY 115 3HA GLY 115 14.994 -0.605 4.895 957 H GLY 116 H GLY 116 11.558 -0.105 4.014 958 HA2 GLY 116 2HA GLY 116 10.404 -0.535 2.075 959 HA3 GLY 116 3HA GLY 116 11.945 -0.799 1.272 960 H SER 117 H SER 117 10.594 -2.520 4.052 961 HA SER 117 HA SER 117 9.779 -4.883 2.673 962 HB2 SER 117 2HB SER 117 11.587 -6.400 3.540 963 HB3 SER 117 3HB SER 117 12.217 -5.205 2.407 964 HG SER 117 HG SER 117 12.374 -4.116 4.798 965 H LEU 118 H LEU 118 8.709 -6.322 4.078 966 HA LEU 118 HA LEU 118 8.190 -5.457 6.806 967 HB2 LEU 118 2HB LEU 118 7.270 -7.887 5.223 968 HB3 LEU 118 3HB LEU 118 6.864 -7.657 6.917 969 HG LEU 118 HG LEU 118 5.999 -5.876 4.610 970 HD11 LEU 118 1HD1 LEU 118 4.811 -7.999 4.644 971 HD12 LEU 118 2HD1 LEU 118 3.735 -6.693 5.129 972 HD13 LEU 118 3HD1 LEU 118 4.398 -7.783 6.348 973 HD21 LEU 118 1HD2 LEU 118 6.359 -4.493 6.587 974 HD22 LEU 118 2HD2 LEU 118 5.382 -5.582 7.576 975 HD23 LEU 118 3HD2 LEU 118 4.634 -4.659 6.271 976 H GLU 119 H GLU 119 9.344 -8.547 5.388 977 HA GLU 119 HA GLU 119 10.345 -10.351 6.293 978 HB2 GLU 119 2HB GLU 119 12.148 -8.204 7.453 979 HB3 GLU 119 3HB GLU 119 12.531 -9.920 7.485 980 HG2 GLU 119 2HG GLU 119 12.252 -8.148 5.053 981 HG3 GLU 119 3HG GLU 119 13.725 -8.904 5.664 982 H HIS 120 H HIS 120 8.141 -9.237 7.818 983 HA HIS 120 HA HIS 120 8.715 -10.019 10.589 984 HB2 HIS 120 2HB HIS 120 6.405 -8.545 9.279 985 HB3 HIS 120 3HB HIS 120 6.226 -9.249 10.885 986 HD1 HIS 120 HD1 HIS 120 9.429 -7.561 9.796 987 HD2 HIS 120 HD2 HIS 120 6.126 -6.823 12.205 988 HE1 HIS 120 HE1 HIS 120 10.018 -5.542 11.156 989 HE2 HIS 120 HE2 HIS 120 8.080 -5.238 12.724 990 H HIS 121 H HIS 121 9.124 -12.071 9.132 991 HA HIS 121 HA HIS 121 8.738 -14.261 8.820 992 HB2 HIS 121 2HB HIS 121 6.765 -13.997 11.133 993 HB3 HIS 121 3HB HIS 121 7.655 -15.442 10.659 994 HD1 HIS 121 HD1 HIS 121 7.746 -12.779 13.048 995 HD2 HIS 121 HD2 HIS 121 10.634 -14.966 11.006 996 HE1 HIS 121 HE1 HIS 121 9.878 -12.446 14.329 997 HE2 HIS 121 HE2 HIS 121 11.633 -13.636 12.979 998 H HIS 122 H HIS 122 7.681 -13.475 6.740 999 HA HIS 122 HA HIS 122 4.843 -13.558 6.479 1000 HB2 HIS 122 2HB HIS 122 5.153 -13.465 4.072 1001 HB3 HIS 122 3HB HIS 122 6.306 -12.377 4.828 1002 HD1 HIS 122 HD1 HIS 122 6.034 -15.259 2.566 1003 HD2 HIS 122 HD2 HIS 122 9.061 -13.313 4.647 1004 HE1 HIS 122 HE1 HIS 122 8.176 -16.076 1.559 1005 HE2 HIS 122 HE2 HIS 122 9.966 -14.714 2.681 1006 H HIS 123 H HIS 123 3.872 -15.316 7.207 1007 HA HIS 123 HA HIS 123 5.147 -17.955 6.995 1008 HB2 HIS 123 2HB HIS 123 3.525 -18.545 8.856 1009 HB3 HIS 123 3HB HIS 123 4.658 -17.259 9.259 1010 HD1 HIS 123 HD1 HIS 123 3.709 -14.962 9.812 1011 HD2 HIS 123 HD2 HIS 123 0.809 -17.631 8.479 1012 HE1 HIS 123 HE1 HIS 123 1.505 -13.808 10.161 1013 HE2 HIS 123 HE2 HIS 123 -0.201 -15.372 9.179 1014 H HIS 124 H HIS 124 3.800 -19.831 6.773 1015 HA HIS 124 HA HIS 124 1.787 -19.696 4.680 1016 HB2 HIS 124 2HB HIS 124 2.788 -22.075 6.320 1017 HB3 HIS 124 3HB HIS 124 1.780 -22.183 4.882 1018 HD1 HIS 124 HD1 HIS 124 4.493 -23.623 5.154 1019 HD2 HIS 124 HD2 HIS 124 3.965 -19.938 3.305 1020 HE1 HIS 124 HE1 HIS 124 6.386 -23.408 3.527 1021 HE2 HIS 124 HE2 HIS 124 6.146 -21.094 2.569 1022 H HIS 125 H HIS 125 -0.435 -20.065 5.011 1023 HA HIS 125 HA HIS 125 -1.491 -21.238 7.383 1024 HB2 HIS 125 2HB HIS 125 -1.082 -18.970 8.330 1025 HB3 HIS 125 3HB HIS 125 -2.049 -18.247 7.048 1026 HD1 HIS 125 HD1 HIS 125 -4.206 -17.516 8.061 1027 HD2 HIS 125 HD2 HIS 125 -2.962 -21.180 9.600 1028 HE1 HIS 125 HE1 HIS 125 -6.021 -18.256 9.621 1029 HE2 HIS 125 HE2 HIS 125 -5.295 -20.503 10.466 Start of MODEL 7 1 H1 MET 1 1H MET 1 13.311 10.805 -0.939 2 H2 MET 1 2H MET 1 14.379 10.709 0.365 3 H3 MET 1 3H MET 1 13.005 9.725 0.325 4 HA MET 1 HA MET 1 15.260 9.603 -1.588 5 HB2 MET 1 2HB MET 1 14.515 7.757 0.727 6 HB3 MET 1 3HB MET 1 15.721 7.364 -0.493 7 HG2 MET 1 2HG MET 1 17.061 9.315 0.217 8 HG3 MET 1 3HG MET 1 15.859 9.678 1.455 9 HE1 MET 1 1HE MET 1 18.552 5.915 1.512 10 HE2 MET 1 2HE MET 1 18.601 7.132 0.239 11 HE3 MET 1 3HE MET 1 17.203 6.064 0.384 12 H GLY 2 H GLY 2 14.369 9.138 -3.520 13 HA2 GLY 2 2HA GLY 2 13.033 8.275 -5.163 14 HA3 GLY 2 3HA GLY 2 12.617 6.960 -4.068 15 H LYS 3 H LYS 3 10.714 7.043 -2.947 16 HA LYS 3 HA LYS 3 9.354 9.198 -1.959 17 HB2 LYS 3 2HB LYS 3 8.773 9.847 -4.300 18 HB3 LYS 3 3HB LYS 3 8.059 8.266 -4.575 19 HG2 LYS 3 2HG LYS 3 6.345 10.006 -4.213 20 HG3 LYS 3 3HG LYS 3 6.272 8.745 -2.983 21 HD2 LYS 3 2HD LYS 3 5.949 10.978 -1.993 22 HD3 LYS 3 3HD LYS 3 7.414 10.219 -1.372 23 HE2 LYS 3 2HE LYS 3 8.781 11.597 -2.889 24 HE3 LYS 3 3HE LYS 3 7.320 12.334 -3.556 25 HZ1 LYS 3 1HZ LYS 3 8.386 13.724 -1.868 26 HZ2 LYS 3 2HZ LYS 3 8.167 12.513 -0.714 27 HZ3 LYS 3 3HZ LYS 3 6.829 13.269 -1.407 28 H VAL 4 H VAL 4 8.138 8.337 -0.341 29 HA VAL 4 HA VAL 4 6.996 5.628 -0.630 30 HB VAL 4 HB VAL 4 6.888 7.348 1.895 31 HG11 VAL 4 1HG1 VAL 4 6.500 5.204 3.041 32 HG12 VAL 4 2HG1 VAL 4 6.642 4.336 1.512 33 HG13 VAL 4 3HG1 VAL 4 5.303 5.456 1.768 34 HG21 VAL 4 1HG2 VAL 4 8.876 6.151 2.757 35 HG22 VAL 4 2HG2 VAL 4 9.264 7.114 1.331 36 HG23 VAL 4 3HG2 VAL 4 9.088 5.366 1.190 37 H VAL 5 H VAL 5 4.876 5.505 -1.217 38 HA VAL 5 HA VAL 5 3.047 7.768 -0.592 39 HB VAL 5 HB VAL 5 2.972 5.893 -3.024 40 HG11 VAL 5 1HG1 VAL 5 0.907 7.984 -2.194 41 HG12 VAL 5 2HG1 VAL 5 0.671 6.234 -2.212 42 HG13 VAL 5 3HG1 VAL 5 0.916 7.104 -3.725 43 HG21 VAL 5 1HG2 VAL 5 3.297 8.922 -2.853 44 HG22 VAL 5 2HG2 VAL 5 3.197 7.982 -4.343 45 HG23 VAL 5 3HG2 VAL 5 4.565 7.760 -3.255 46 H PHE 6 H PHE 6 1.622 7.207 0.937 47 HA PHE 6 HA PHE 6 0.778 4.412 1.261 48 HB2 PHE 6 2HB PHE 6 1.357 5.643 3.322 49 HB3 PHE 6 3HB PHE 6 0.152 6.876 2.947 50 HD1 PHE 6 HD1 PHE 6 0.468 3.178 3.445 51 HD2 PHE 6 HD2 PHE 6 -2.022 6.632 3.873 52 HE1 PHE 6 HE1 PHE 6 -1.233 1.818 4.567 53 HE2 PHE 6 HE2 PHE 6 -3.714 5.257 5.009 54 HZ PHE 6 HZ PHE 6 -3.312 2.853 5.344 55 H LEU 7 H LEU 7 -0.704 3.895 -0.167 56 HA LEU 7 HA LEU 7 -2.884 5.730 -0.932 57 HB2 LEU 7 2HB LEU 7 -1.551 4.796 -2.765 58 HB3 LEU 7 3HB LEU 7 -1.775 3.167 -2.148 59 HG LEU 7 HG LEU 7 -4.204 3.309 -2.680 60 HD11 LEU 7 1HD1 LEU 7 -3.542 5.994 -3.936 61 HD12 LEU 7 2HD1 LEU 7 -4.547 5.727 -2.508 62 HD13 LEU 7 3HD1 LEU 7 -5.077 5.131 -4.078 63 HD21 LEU 7 1HD2 LEU 7 -3.956 3.071 -5.092 64 HD22 LEU 7 2HD2 LEU 7 -2.604 2.311 -4.263 65 HD23 LEU 7 3HD2 LEU 7 -2.389 3.882 -5.043 66 H SER 8 H SER 8 -4.905 5.333 -0.068 67 HA SER 8 HA SER 8 -5.777 2.596 0.484 68 HB2 SER 8 2HB SER 8 -5.775 4.793 2.595 69 HB3 SER 8 3HB SER 8 -6.727 3.313 2.732 70 HG SER 8 HG SER 8 -3.940 3.290 2.311 71 H ASP 9 H ASP 9 -8.079 2.430 0.692 72 HA ASP 9 HA ASP 9 -9.535 4.620 -0.673 73 HB2 ASP 9 2HB ASP 9 -9.418 2.415 -1.864 74 HB3 ASP 9 3HB ASP 9 -10.264 1.665 -0.516 75 H ASP 10 H ASP 10 -9.005 3.636 2.393 76 HA ASP 10 HA ASP 10 -11.722 4.431 3.306 77 HB2 ASP 10 2HB ASP 10 -11.047 2.110 3.989 78 HB3 ASP 10 3HB ASP 10 -9.653 2.775 4.830 79 H GLN 11 H GLN 11 -11.838 6.314 4.347 80 HA GLN 11 HA GLN 11 -9.696 8.144 4.334 81 HB2 GLN 11 2HB GLN 11 -12.062 8.783 4.000 82 HB3 GLN 11 3HB GLN 11 -12.427 8.356 5.667 83 HG2 GLN 11 2HG GLN 11 -12.259 10.763 5.481 84 HG3 GLN 11 3HG GLN 11 -10.903 10.172 6.440 85 HE21 GLN 11 1HE2 GLN 11 -8.800 10.273 5.543 86 HE22 GLN 11 2HE2 GLN 11 -8.439 11.268 4.179 87 H GLU 12 H GLU 12 -11.155 6.282 7.003 88 HA GLU 12 HA GLU 12 -9.981 7.680 9.176 89 HB2 GLU 12 2HB GLU 12 -10.686 4.710 9.165 90 HB3 GLU 12 3HB GLU 12 -10.594 5.774 10.564 91 HG2 GLU 12 2HG GLU 12 -12.677 5.828 8.367 92 HG3 GLU 12 3HG GLU 12 -12.908 5.308 10.035 93 H ILE 13 H ILE 13 -9.087 4.625 7.606 94 HA ILE 13 HA ILE 13 -6.628 4.040 8.622 95 HB ILE 13 HB ILE 13 -7.463 3.846 5.692 96 HG12 ILE 13 2HG1 ILE 13 -9.066 2.689 7.175 97 HG13 ILE 13 3HG1 ILE 13 -8.182 1.533 6.194 98 HG21 ILE 13 1HG2 ILE 13 -5.300 2.290 7.135 99 HG22 ILE 13 2HG2 ILE 13 -5.039 3.575 5.955 100 HG23 ILE 13 3HG2 ILE 13 -5.806 2.073 5.460 101 HD11 ILE 13 1HD1 ILE 13 -8.509 0.703 8.426 102 HD12 ILE 13 2HD1 ILE 13 -7.728 2.123 9.117 103 HD13 ILE 13 3HD1 ILE 13 -6.791 0.982 8.148 104 H ILE 14 H ILE 14 -7.261 6.237 5.854 105 HA ILE 14 HA ILE 14 -4.641 6.911 5.171 106 HB ILE 14 HB ILE 14 -7.215 8.514 4.824 107 HG12 ILE 14 2HG1 ILE 14 -5.588 6.879 2.820 108 HG13 ILE 14 3HG1 ILE 14 -7.058 6.326 3.609 109 HG21 ILE 14 1HG2 ILE 14 -4.509 9.135 3.565 110 HG22 ILE 14 2HG2 ILE 14 -5.329 10.114 4.783 111 HG23 ILE 14 3HG2 ILE 14 -6.030 9.942 3.174 112 HD11 ILE 14 1HD1 ILE 14 -6.816 8.612 1.672 113 HD12 ILE 14 2HD1 ILE 14 -8.299 8.127 2.499 114 HD13 ILE 14 3HD1 ILE 14 -7.520 7.023 1.366 115 H GLU 15 H GLU 15 -6.873 8.533 7.431 116 HA GLU 15 HA GLU 15 -5.135 10.743 7.969 117 HB2 GLU 15 2HB GLU 15 -7.660 9.801 9.390 118 HB3 GLU 15 3HB GLU 15 -6.817 11.306 9.747 119 HG2 GLU 15 2HG GLU 15 -7.146 11.969 7.327 120 HG3 GLU 15 3HG GLU 15 -8.175 10.552 7.152 121 H GLU 16 H GLU 16 -5.744 7.676 9.611 122 HA GLU 16 HA GLU 16 -4.354 8.175 12.031 123 HB2 GLU 16 2HB GLU 16 -5.077 5.650 10.512 124 HB3 GLU 16 3HB GLU 16 -4.133 5.561 11.992 125 HG2 GLU 16 2HG GLU 16 -6.826 6.935 11.888 126 HG3 GLU 16 3HG GLU 16 -6.657 5.212 12.181 127 H VAL 17 H VAL 17 -3.309 6.740 8.951 128 HA VAL 17 HA VAL 17 -0.597 6.278 9.818 129 HB VAL 17 HB VAL 17 -1.785 6.158 7.011 130 HG11 VAL 17 1HG1 VAL 17 0.663 6.336 6.928 131 HG12 VAL 17 2HG1 VAL 17 0.151 4.719 6.448 132 HG13 VAL 17 3HG1 VAL 17 0.824 4.987 8.057 133 HG21 VAL 17 1HG2 VAL 17 -1.989 3.722 7.388 134 HG22 VAL 17 2HG2 VAL 17 -2.946 4.629 8.560 135 HG23 VAL 17 3HG2 VAL 17 -1.405 3.920 9.039 136 H SER 18 H SER 18 -2.277 8.790 7.985 137 HA SER 18 HA SER 18 -0.075 10.227 6.979 138 HB2 SER 18 2HB SER 18 -2.473 10.539 6.261 139 HB3 SER 18 3HB SER 18 -2.800 11.348 7.793 140 HG SER 18 HG SER 18 -1.105 12.853 7.153 141 H LYS 19 H LYS 19 -1.967 10.556 9.952 142 HA LYS 19 HA LYS 19 -0.556 12.695 11.126 143 HB2 LYS 19 2HB LYS 19 -2.773 12.140 11.922 144 HB3 LYS 19 3HB LYS 19 -2.303 10.491 12.301 145 HG2 LYS 19 2HG LYS 19 -2.634 11.964 14.301 146 HG3 LYS 19 3HG LYS 19 -1.057 11.189 14.227 147 HD2 LYS 19 2HD LYS 19 -0.908 13.530 15.001 148 HD3 LYS 19 3HD LYS 19 -0.013 13.275 13.507 149 HE2 LYS 19 2HE LYS 19 -1.919 14.297 12.252 150 HE3 LYS 19 3HE LYS 19 -2.723 14.619 13.791 151 HZ1 LYS 19 1HZ LYS 19 -1.574 16.573 13.113 152 HZ2 LYS 19 2HZ LYS 19 -0.132 15.722 12.867 153 HZ3 LYS 19 3HZ LYS 19 -0.730 15.924 14.429 154 H LYS 20 H LYS 20 -0.198 9.155 11.481 155 HA LYS 20 HA LYS 20 1.940 9.063 13.283 156 HB2 LYS 20 2HB LYS 20 0.635 7.095 12.635 157 HB3 LYS 20 3HB LYS 20 1.279 7.169 10.995 158 HG2 LYS 20 2HG LYS 20 3.506 6.622 11.767 159 HG3 LYS 20 3HG LYS 20 3.008 6.773 13.456 160 HD2 LYS 20 2HD LYS 20 1.447 4.840 13.113 161 HD3 LYS 20 3HD LYS 20 2.097 4.652 11.480 162 HE2 LYS 20 2HE LYS 20 3.116 3.113 13.130 163 HE3 LYS 20 3HE LYS 20 4.304 4.162 12.367 164 HZ1 LYS 20 1HZ LYS 20 4.311 5.537 14.331 165 HZ2 LYS 20 2HZ LYS 20 4.624 3.936 14.770 166 HZ3 LYS 20 3HZ LYS 20 3.096 4.606 15.047 167 H ALA 21 H ALA 21 1.994 9.255 9.736 168 HA ALA 21 HA ALA 21 4.810 9.067 9.379 169 HB1 ALA 21 1HB ALA 21 3.206 8.529 7.589 170 HB2 ALA 21 2HB ALA 21 4.360 9.754 7.059 171 HB3 ALA 21 3HB ALA 21 2.713 10.219 7.503 172 H GLU 22 H GLU 22 2.602 11.743 9.926 173 HA GLU 22 HA GLU 22 4.384 13.881 9.265 174 HB2 GLU 22 2HB GLU 22 1.887 14.067 9.277 175 HB3 GLU 22 3HB GLU 22 1.887 13.898 11.032 176 HG2 GLU 22 2HG GLU 22 3.234 15.998 11.187 177 HG3 GLU 22 3HG GLU 22 3.129 16.167 9.436 178 H GLU 23 H GLU 23 3.339 12.390 12.341 179 HA GLU 23 HA GLU 23 4.821 13.968 14.119 180 HB2 GLU 23 2HB GLU 23 3.899 11.079 14.434 181 HB3 GLU 23 3HB GLU 23 4.514 12.078 15.744 182 HG2 GLU 23 2HG GLU 23 1.971 12.515 14.173 183 HG3 GLU 23 3HG GLU 23 2.108 11.986 15.846 184 H GLU 24 H GLU 24 5.642 10.844 12.607 185 HA GLU 24 HA GLU 24 8.245 10.660 13.816 186 HB2 GLU 24 2HB GLU 24 6.962 9.137 11.511 187 HB3 GLU 24 3HB GLU 24 8.540 8.749 12.181 188 HG2 GLU 24 2HG GLU 24 5.886 8.578 13.645 189 HG3 GLU 24 3HG GLU 24 6.848 7.228 13.045 190 H GLY 25 H GLY 25 6.988 12.239 11.014 191 HA2 GLY 25 2HA GLY 25 8.013 13.685 9.535 192 HA3 GLY 25 3HA GLY 25 9.572 13.299 10.249 193 H TYR 26 H TYR 26 7.635 10.597 9.259 194 HA TYR 26 HA TYR 26 9.398 9.700 7.214 195 HB2 TYR 26 2HB TYR 26 6.509 8.928 7.823 196 HB3 TYR 26 3HB TYR 26 7.501 8.094 6.640 197 HD1 TYR 26 HD1 TYR 26 10.076 7.748 8.088 198 HD2 TYR 26 HD2 TYR 26 6.060 7.337 9.496 199 HE1 TYR 26 HE1 TYR 26 10.824 6.107 9.755 200 HE2 TYR 26 HE2 TYR 26 6.817 5.704 11.177 201 HH TYR 26 HH TYR 26 10.123 5.195 11.894 202 H ASP 27 H ASP 27 9.575 10.555 5.174 203 HA ASP 27 HA ASP 27 7.707 12.356 3.979 204 HB2 ASP 27 2HB ASP 27 10.047 12.524 3.336 205 HB3 ASP 27 3HB ASP 27 10.093 10.839 2.831 206 H ILE 28 H ILE 28 5.688 11.399 3.894 207 HA ILE 28 HA ILE 28 5.283 9.209 1.951 208 HB ILE 28 HB ILE 28 3.810 9.431 4.628 209 HG12 ILE 28 2HG1 ILE 28 5.921 7.418 3.703 210 HG13 ILE 28 3HG1 ILE 28 6.064 8.556 5.035 211 HG21 ILE 28 1HG2 ILE 28 3.561 7.341 2.425 212 HG22 ILE 28 2HG2 ILE 28 2.369 8.586 2.811 213 HG23 ILE 28 3HG2 ILE 28 2.717 7.310 3.975 214 HD11 ILE 28 1HD1 ILE 28 5.709 6.341 5.879 215 HD12 ILE 28 2HD1 ILE 28 4.250 6.153 4.911 216 HD13 ILE 28 3HD1 ILE 28 4.289 7.324 6.233 217 H GLN 29 H GLN 29 3.914 9.829 0.394 218 HA GLN 29 HA GLN 29 1.985 12.008 0.745 219 HB2 GLN 29 2HB GLN 29 3.241 11.914 -1.367 220 HB3 GLN 29 3HB GLN 29 2.713 10.259 -1.652 221 HG2 GLN 29 2HG GLN 29 1.496 11.850 -3.077 222 HG3 GLN 29 3HG GLN 29 0.406 11.010 -1.979 223 HE21 GLN 29 1HE2 GLN 29 -0.686 12.209 -0.399 224 HE22 GLN 29 2HE2 GLN 29 -0.684 13.935 -0.355 225 H THR 30 H THR 30 0.095 11.478 1.712 226 HA THR 30 HA THR 30 -1.042 8.768 1.444 227 HB THR 30 HB THR 30 -2.646 9.550 3.255 228 HG1 THR 30 HG1 THR 30 -1.903 11.497 4.394 229 HG21 THR 30 1HG2 THR 30 0.311 9.751 3.966 230 HG22 THR 30 2HG2 THR 30 -0.618 8.253 3.837 231 HG23 THR 30 3HG2 THR 30 -1.011 9.428 5.089 232 H SER 31 H SER 31 -2.905 8.382 0.302 233 HA SER 31 HA SER 31 -4.482 10.549 -0.845 234 HB2 SER 31 2HB SER 31 -2.426 10.406 -2.304 235 HB3 SER 31 3HB SER 31 -2.835 8.732 -2.672 236 HG SER 31 HG SER 31 -4.651 10.857 -3.136 237 H ASN 32 H ASN 32 -6.274 9.764 -2.160 238 HA ASN 32 HA ASN 32 -7.307 7.159 -1.234 239 HB2 ASN 32 2HB ASN 32 -8.602 9.119 -0.503 240 HB3 ASN 32 3HB ASN 32 -8.769 9.665 -2.165 241 HD21 ASN 32 1HD2 ASN 32 -9.149 6.292 -1.057 242 HD22 ASN 32 2HD2 ASN 32 -10.836 6.193 -1.427 243 H ASP 33 H ASP 33 -7.127 9.255 -4.114 244 HA ASP 33 HA ASP 33 -8.383 7.380 -5.901 245 HB2 ASP 33 2HB ASP 33 -8.589 9.808 -6.289 246 HB3 ASP 33 3HB ASP 33 -6.844 9.955 -6.464 247 H LYS 34 H LYS 34 -7.340 5.548 -6.400 248 HA LYS 34 HA LYS 34 -4.530 5.199 -6.332 249 HB2 LYS 34 2HB LYS 34 -4.866 2.935 -6.918 250 HB3 LYS 34 3HB LYS 34 -6.253 3.369 -5.944 251 HG2 LYS 34 2HG LYS 34 -6.318 3.254 -8.974 252 HG3 LYS 34 3HG LYS 34 -6.695 1.875 -7.951 253 HD2 LYS 34 2HD LYS 34 -8.199 4.515 -8.007 254 HD3 LYS 34 3HD LYS 34 -8.734 3.002 -8.736 255 HE2 LYS 34 2HE LYS 34 -8.725 1.972 -6.427 256 HE3 LYS 34 3HE LYS 34 -8.391 3.581 -5.777 257 HZ1 LYS 34 1HZ LYS 34 -10.772 2.860 -7.402 258 HZ2 LYS 34 2HZ LYS 34 -10.462 4.367 -6.700 259 HZ3 LYS 34 3HZ LYS 34 -10.752 3.022 -5.720 260 H LYS 35 H LYS 35 -6.524 6.428 -8.834 261 HA LYS 35 HA LYS 35 -5.233 5.231 -11.104 262 HB2 LYS 35 2HB LYS 35 -7.076 7.658 -10.932 263 HB3 LYS 35 3HB LYS 35 -6.617 6.842 -12.426 264 HG2 LYS 35 2HG LYS 35 -8.186 5.602 -10.141 265 HG3 LYS 35 3HG LYS 35 -8.868 6.168 -11.665 266 HD2 LYS 35 2HD LYS 35 -6.832 3.916 -11.397 267 HD3 LYS 35 3HD LYS 35 -8.571 3.691 -11.586 268 HE2 LYS 35 2HE LYS 35 -8.529 4.665 -13.796 269 HE3 LYS 35 3HE LYS 35 -6.846 5.152 -13.607 270 HZ1 LYS 35 1HZ LYS 35 -7.812 2.348 -13.676 271 HZ2 LYS 35 2HZ LYS 35 -6.201 2.840 -13.562 272 HZ3 LYS 35 3HZ LYS 35 -7.085 3.161 -14.965 273 H GLU 36 H GLU 36 -4.938 8.313 -9.445 274 HA GLU 36 HA GLU 36 -3.061 9.565 -11.203 275 HB2 GLU 36 2HB GLU 36 -4.540 10.828 -9.673 276 HB3 GLU 36 3HB GLU 36 -3.762 10.090 -8.277 277 HG2 GLU 36 2HG GLU 36 -1.631 11.226 -8.909 278 HG3 GLU 36 3HG GLU 36 -2.475 12.010 -10.246 279 H ILE 37 H ILE 37 -2.841 7.633 -8.255 280 HA ILE 37 HA ILE 37 -0.041 7.827 -7.819 281 HB ILE 37 HB ILE 37 -2.012 5.677 -6.906 282 HG12 ILE 37 2HG1 ILE 37 -2.788 7.871 -6.159 283 HG13 ILE 37 3HG1 ILE 37 -2.134 7.019 -4.772 284 HG21 ILE 37 1HG2 ILE 37 0.706 6.392 -5.758 285 HG22 ILE 37 2HG2 ILE 37 0.310 4.923 -6.654 286 HG23 ILE 37 3HG2 ILE 37 -0.428 5.221 -5.080 287 HD11 ILE 37 1HD1 ILE 37 -0.060 8.368 -4.951 288 HD12 ILE 37 2HD1 ILE 37 -1.504 9.349 -4.702 289 HD13 ILE 37 3HD1 ILE 37 -0.776 9.250 -6.304 290 H ILE 38 H ILE 38 -2.071 5.559 -9.587 291 HA ILE 38 HA ILE 38 -0.236 3.651 -10.490 292 HB ILE 38 HB ILE 38 -2.898 4.697 -11.491 293 HG12 ILE 38 2HG1 ILE 38 -2.015 1.884 -10.689 294 HG13 ILE 38 3HG1 ILE 38 -2.785 3.043 -9.611 295 HG21 ILE 38 1HG2 ILE 38 -1.747 4.342 -13.613 296 HG22 ILE 38 2HG2 ILE 38 -2.977 3.101 -13.381 297 HG23 ILE 38 3HG2 ILE 38 -1.277 2.717 -13.120 298 HD11 ILE 38 1HD1 ILE 38 -4.016 1.758 -12.043 299 HD12 ILE 38 2HD1 ILE 38 -4.790 2.998 -11.052 300 HD13 ILE 38 3HD1 ILE 38 -4.389 1.430 -10.350 301 H ASP 39 H ASP 39 -1.109 6.827 -11.785 302 HA ASP 39 HA ASP 39 0.375 6.779 -14.187 303 HB2 ASP 39 2HB ASP 39 -1.455 8.378 -13.774 304 HB3 ASP 39 3HB ASP 39 -0.538 9.137 -12.480 305 H ARG 40 H ARG 40 1.256 7.694 -10.876 306 HA ARG 40 HA ARG 40 3.858 8.743 -11.578 307 HB2 ARG 40 2HB ARG 40 2.848 7.921 -8.822 308 HB3 ARG 40 3HB ARG 40 4.255 8.925 -9.167 309 HG2 ARG 40 2HG ARG 40 2.668 10.601 -10.233 310 HG3 ARG 40 3HG ARG 40 1.340 9.624 -9.605 311 HD2 ARG 40 2HD ARG 40 1.695 11.440 -8.075 312 HD3 ARG 40 3HD ARG 40 2.292 9.977 -7.286 313 HE ARG 40 HE ARG 40 4.572 10.726 -8.073 314 HH11 ARG 40 1HH1 ARG 40 2.071 13.095 -7.340 315 HH12 ARG 40 2HH1 ARG 40 3.206 14.349 -6.967 316 HH21 ARG 40 1HH2 ARG 40 6.026 12.391 -7.614 317 HH22 ARG 40 2HH2 ARG 40 5.441 13.950 -7.123 318 H LEU 41 H LEU 41 2.598 5.615 -10.472 319 HA LEU 41 HA LEU 41 5.047 4.250 -10.089 320 HB2 LEU 41 2HB LEU 41 2.325 3.214 -10.962 321 HB3 LEU 41 3HB LEU 41 3.675 2.157 -10.589 322 HG LEU 41 HG LEU 41 2.422 4.066 -8.569 323 HD11 LEU 41 1HD1 LEU 41 1.310 2.113 -7.589 324 HD12 LEU 41 2HD1 LEU 41 1.941 1.080 -8.877 325 HD13 LEU 41 3HD1 LEU 41 0.785 2.361 -9.256 326 HD21 LEU 41 1HD2 LEU 41 4.759 3.494 -8.062 327 HD22 LEU 41 2HD2 LEU 41 4.381 1.773 -8.173 328 HD23 LEU 41 3HD2 LEU 41 3.660 2.757 -6.895 329 H LYS 42 H LYS 42 3.133 4.905 -12.993 330 HA LYS 42 HA LYS 42 4.567 3.368 -14.901 331 HB2 LYS 42 2HB LYS 42 3.002 5.962 -15.245 332 HB3 LYS 42 3HB LYS 42 3.569 4.962 -16.582 333 HG2 LYS 42 2HG LYS 42 2.106 3.150 -15.952 334 HG3 LYS 42 3HG LYS 42 1.672 3.953 -14.441 335 HD2 LYS 42 2HD LYS 42 -0.147 4.195 -16.060 336 HD3 LYS 42 3HD LYS 42 0.570 5.772 -15.725 337 HE2 LYS 42 2HE LYS 42 1.874 5.583 -17.846 338 HE3 LYS 42 3HE LYS 42 1.057 4.053 -18.181 339 HZ1 LYS 42 1HZ LYS 42 -0.034 5.802 -19.359 340 HZ2 LYS 42 2HZ LYS 42 -0.208 6.732 -17.963 341 HZ3 LYS 42 3HZ LYS 42 -1.066 5.287 -18.123 342 H ARG 43 H ARG 43 5.192 6.515 -13.475 343 HA ARG 43 HA ARG 43 7.319 7.238 -15.333 344 HB2 ARG 43 2HB ARG 43 6.413 8.609 -12.749 345 HB3 ARG 43 3HB ARG 43 7.492 9.296 -13.966 346 HG2 ARG 43 2HG ARG 43 5.691 9.314 -15.625 347 HG3 ARG 43 3HG ARG 43 4.612 8.500 -14.492 348 HD2 ARG 43 2HD ARG 43 4.818 10.496 -12.967 349 HD3 ARG 43 3HD ARG 43 5.719 11.318 -14.246 350 HE ARG 43 HE ARG 43 2.874 10.524 -14.318 351 HH11 ARG 43 1HH1 ARG 43 5.482 12.381 -15.756 352 HH12 ARG 43 2HH1 ARG 43 4.425 13.266 -16.808 353 HH21 ARG 43 1HH2 ARG 43 1.506 11.676 -15.690 354 HH22 ARG 43 2HH2 ARG 43 2.171 12.870 -16.774 355 H ARG 44 H ARG 44 7.173 5.132 -12.761 356 HA ARG 44 HA ARG 44 8.560 4.187 -11.236 357 HB2 ARG 44 2HB ARG 44 10.722 5.430 -12.991 358 HB3 ARG 44 3HB ARG 44 11.111 4.469 -11.575 359 HG2 ARG 44 2HG ARG 44 11.355 3.106 -13.546 360 HG3 ARG 44 3HG ARG 44 9.983 2.508 -12.616 361 HD2 ARG 44 2HD ARG 44 8.431 3.610 -14.175 362 HD3 ARG 44 3HD ARG 44 9.796 4.282 -15.076 363 HE ARG 44 HE ARG 44 10.392 1.751 -15.333 364 HH11 ARG 44 1HH1 ARG 44 7.176 3.143 -15.527 365 HH12 ARG 44 2HH1 ARG 44 6.581 1.920 -16.606 366 HH21 ARG 44 1HH2 ARG 44 9.599 0.172 -16.771 367 HH22 ARG 44 2HH2 ARG 44 7.947 0.249 -17.310 368 H ASN 45 H ASN 45 7.489 6.905 -10.926 369 HA ASN 45 HA ASN 45 9.415 8.646 -9.716 370 HB2 ASN 45 2HB ASN 45 7.293 9.245 -11.098 371 HB3 ASN 45 3HB ASN 45 6.382 8.948 -9.625 372 HD21 ASN 45 1HD2 ASN 45 9.554 10.543 -10.034 373 HD22 ASN 45 2HD2 ASN 45 9.031 12.074 -9.441 374 H ILE 46 H ILE 46 7.397 6.130 -8.596 375 HA ILE 46 HA ILE 46 7.586 6.925 -5.748 376 HB ILE 46 HB ILE 46 5.827 4.750 -6.997 377 HG12 ILE 46 2HG1 ILE 46 5.018 7.541 -6.049 378 HG13 ILE 46 3HG1 ILE 46 5.121 7.033 -7.729 379 HG21 ILE 46 1HG2 ILE 46 4.679 4.708 -4.802 380 HG22 ILE 46 2HG2 ILE 46 5.801 5.917 -4.179 381 HG23 ILE 46 3HG2 ILE 46 6.393 4.316 -4.623 382 HD11 ILE 46 1HD1 ILE 46 3.307 5.441 -7.358 383 HD12 ILE 46 2HD1 ILE 46 2.834 7.091 -6.960 384 HD13 ILE 46 3HD1 ILE 46 3.207 5.949 -5.669 385 H ASP 47 H ASP 47 9.113 5.886 -4.581 386 HA ASP 47 HA ASP 47 10.685 3.709 -5.660 387 HB2 ASP 47 2HB ASP 47 11.779 5.458 -4.324 388 HB3 ASP 47 3HB ASP 47 10.759 5.093 -2.938 389 H MET 48 H MET 48 8.296 4.134 -3.092 390 HA MET 48 HA MET 48 7.719 1.290 -2.986 391 HB2 MET 48 2HB MET 48 8.018 1.205 -0.475 392 HB3 MET 48 3HB MET 48 9.521 1.351 -1.374 393 HG2 MET 48 2HG MET 48 9.513 3.805 -0.878 394 HG3 MET 48 3HG MET 48 8.108 3.550 0.155 395 HE1 MET 48 1HE MET 48 8.204 2.045 2.424 396 HE2 MET 48 2HE MET 48 9.670 1.240 2.977 397 HE3 MET 48 3HE MET 48 8.858 0.680 1.515 398 H ILE 49 H ILE 49 5.639 0.886 -2.328 399 HA ILE 49 HA ILE 49 3.933 3.150 -1.501 400 HB ILE 49 HB ILE 49 3.736 3.123 -3.920 401 HG12 ILE 49 2HG1 ILE 49 1.284 1.820 -2.640 402 HG13 ILE 49 3HG1 ILE 49 1.621 3.545 -2.730 403 HG21 ILE 49 1HG2 ILE 49 3.069 1.154 -5.247 404 HG22 ILE 49 2HG2 ILE 49 3.070 0.159 -3.792 405 HG23 ILE 49 3HG2 ILE 49 4.580 0.852 -4.382 406 HD11 ILE 49 1HD1 ILE 49 0.995 1.705 -5.032 407 HD12 ILE 49 2HD1 ILE 49 1.422 3.409 -5.190 408 HD13 ILE 49 3HD1 ILE 49 -0.049 2.944 -4.337 409 H ILE 50 H ILE 50 2.180 2.563 -0.239 410 HA ILE 50 HA ILE 50 1.853 -0.292 0.508 411 HB ILE 50 HB ILE 50 1.743 2.144 2.366 412 HG12 ILE 50 2HG1 ILE 50 3.771 -0.150 2.243 413 HG13 ILE 50 3HG1 ILE 50 4.066 1.494 1.697 414 HG21 ILE 50 1HG2 ILE 50 1.332 -0.805 3.025 415 HG22 ILE 50 2HG2 ILE 50 0.088 0.449 3.043 416 HG23 ILE 50 3HG2 ILE 50 1.416 0.506 4.203 417 HD11 ILE 50 1HD1 ILE 50 3.805 2.282 4.008 418 HD12 ILE 50 2HD1 ILE 50 5.105 1.107 3.815 419 HD13 ILE 50 3HD1 ILE 50 3.572 0.610 4.529 420 H VAL 51 H VAL 51 -0.062 -0.886 -0.265 421 HA VAL 51 HA VAL 51 -2.279 1.030 -0.597 422 HB VAL 51 HB VAL 51 -1.890 -1.691 -1.951 423 HG11 VAL 51 1HG1 VAL 51 -4.254 -0.987 -1.849 424 HG12 VAL 51 2HG1 VAL 51 -3.656 -0.944 -3.507 425 HG13 VAL 51 3HG1 VAL 51 -3.843 0.559 -2.599 426 HG21 VAL 51 1HG2 VAL 51 -1.306 1.080 -3.065 427 HG22 VAL 51 2HG2 VAL 51 -1.210 -0.439 -3.960 428 HG23 VAL 51 3HG2 VAL 51 -0.105 -0.138 -2.620 429 H LYS 52 H LYS 52 -3.890 0.865 0.838 430 HA LYS 52 HA LYS 52 -4.641 -1.757 1.978 431 HB2 LYS 52 2HB LYS 52 -3.970 -0.485 3.844 432 HB3 LYS 52 3HB LYS 52 -4.593 1.012 3.180 433 HG2 LYS 52 2HG LYS 52 -5.899 0.357 5.104 434 HG3 LYS 52 3HG LYS 52 -6.893 0.290 3.654 435 HD2 LYS 52 2HD LYS 52 -6.652 -2.182 3.626 436 HD3 LYS 52 3HD LYS 52 -5.667 -2.098 5.094 437 HE2 LYS 52 2HE LYS 52 -7.557 -1.154 6.342 438 HE3 LYS 52 3HE LYS 52 -8.541 -1.114 4.875 439 HZ1 LYS 52 1HZ LYS 52 -9.098 -3.005 6.230 440 HZ2 LYS 52 2HZ LYS 52 -7.502 -3.535 6.202 441 HZ3 LYS 52 3HZ LYS 52 -8.395 -3.527 4.790 442 H THR 53 H THR 53 -6.202 -2.495 0.760 443 HA THR 53 HA THR 53 -8.795 -1.296 0.695 444 HB THR 53 HB THR 53 -7.981 -0.113 -1.288 445 HG1 THR 53 HG1 THR 53 -9.956 -0.580 -1.879 446 HG21 THR 53 1HG2 THR 53 -7.135 -1.245 -3.291 447 HG22 THR 53 2HG2 THR 53 -7.225 -2.808 -2.479 448 HG23 THR 53 3HG2 THR 53 -6.085 -1.582 -1.916 449 H GLU 54 H GLU 54 -10.384 -2.832 0.107 450 HA GLU 54 HA GLU 54 -9.514 -5.605 0.512 451 HB2 GLU 54 2HB GLU 54 -12.183 -4.190 0.801 452 HB3 GLU 54 3HB GLU 54 -12.101 -5.948 0.757 453 HG2 GLU 54 2HG GLU 54 -12.218 -5.042 3.059 454 HG3 GLU 54 3HG GLU 54 -10.777 -6.013 2.780 455 H ASP 55 H ASP 55 -10.403 -3.613 -2.094 456 HA ASP 55 HA ASP 55 -11.620 -5.703 -3.718 457 HB2 ASP 55 2HB ASP 55 -12.252 -3.250 -3.910 458 HB3 ASP 55 3HB ASP 55 -10.658 -2.928 -4.585 459 H LYS 56 H LYS 56 -10.301 -7.297 -4.360 460 HA LYS 56 HA LYS 56 -7.507 -7.294 -4.463 461 HB2 LYS 56 2HB LYS 56 -7.666 -9.505 -5.498 462 HB3 LYS 56 3HB LYS 56 -8.869 -9.347 -4.223 463 HG2 LYS 56 2HG LYS 56 -10.591 -8.854 -5.991 464 HG3 LYS 56 3HG LYS 56 -9.368 -9.204 -7.214 465 HD2 LYS 56 2HD LYS 56 -9.190 -11.519 -6.440 466 HD3 LYS 56 3HD LYS 56 -10.280 -11.187 -5.089 467 HE2 LYS 56 2HE LYS 56 -12.096 -10.672 -6.731 468 HE3 LYS 56 3HE LYS 56 -11.001 -11.125 -8.041 469 HZ1 LYS 56 1HZ LYS 56 -10.874 -13.351 -7.098 470 HZ2 LYS 56 2HZ LYS 56 -12.471 -12.932 -7.447 471 HZ3 LYS 56 3HZ LYS 56 -11.923 -12.902 -5.850 472 H GLU 57 H GLU 57 -9.774 -6.276 -6.916 473 HA GLU 57 HA GLU 57 -7.939 -6.532 -9.157 474 HB2 GLU 57 2HB GLU 57 -10.610 -5.056 -9.006 475 HB3 GLU 57 3HB GLU 57 -9.699 -5.397 -10.478 476 HG2 GLU 57 2HG GLU 57 -9.984 -7.842 -10.042 477 HG3 GLU 57 3HG GLU 57 -10.973 -7.441 -8.638 478 H SER 58 H SER 58 -8.989 -4.018 -6.909 479 HA SER 58 HA SER 58 -7.664 -1.804 -8.172 480 HB2 SER 58 2HB SER 58 -8.535 -2.126 -5.254 481 HB3 SER 58 3HB SER 58 -8.097 -0.605 -6.042 482 HG SER 58 HG SER 58 -10.175 -2.276 -6.988 483 H ILE 59 H ILE 59 -6.875 -4.049 -5.541 484 HA ILE 59 HA ILE 59 -4.283 -3.294 -4.857 485 HB ILE 59 HB ILE 59 -5.569 -6.066 -5.016 486 HG12 ILE 59 2HG1 ILE 59 -5.063 -4.290 -2.578 487 HG13 ILE 59 3HG1 ILE 59 -6.613 -4.457 -3.392 488 HG21 ILE 59 1HG2 ILE 59 -2.937 -5.344 -3.707 489 HG22 ILE 59 2HG2 ILE 59 -3.156 -6.377 -5.117 490 HG23 ILE 59 3HG2 ILE 59 -3.759 -6.892 -3.543 491 HD11 ILE 59 1HD1 ILE 59 -5.125 -6.637 -1.931 492 HD12 ILE 59 2HD1 ILE 59 -6.656 -6.839 -2.788 493 HD13 ILE 59 3HD1 ILE 59 -6.566 -5.779 -1.381 494 H SER 60 H SER 60 -5.409 -5.566 -7.330 495 HA SER 60 HA SER 60 -3.030 -6.519 -8.351 496 HB2 SER 60 2HB SER 60 -5.174 -7.581 -8.849 497 HB3 SER 60 3HB SER 60 -5.714 -6.167 -9.757 498 HG SER 60 HG SER 60 -3.467 -7.774 -10.402 499 H GLU 61 H GLU 61 -4.979 -3.730 -9.438 500 HA GLU 61 HA GLU 61 -3.672 -2.950 -11.728 501 HB2 GLU 61 2HB GLU 61 -5.073 -1.313 -9.588 502 HB3 GLU 61 3HB GLU 61 -4.423 -0.557 -11.037 503 HG2 GLU 61 2HG GLU 61 -6.485 -2.767 -11.037 504 HG3 GLU 61 3HG GLU 61 -6.853 -1.049 -11.163 505 H ILE 62 H ILE 62 -2.937 -1.819 -8.422 506 HA ILE 62 HA ILE 62 -0.755 -0.170 -9.049 507 HB ILE 62 HB ILE 62 -1.620 -1.527 -6.471 508 HG12 ILE 62 2HG1 ILE 62 -1.875 0.861 -5.696 509 HG13 ILE 62 3HG1 ILE 62 -1.353 1.412 -7.281 510 HG21 ILE 62 1HG2 ILE 62 0.195 -0.345 -5.229 511 HG22 ILE 62 2HG2 ILE 62 0.933 0.098 -6.765 512 HG23 ILE 62 3HG2 ILE 62 0.815 -1.600 -6.308 513 HD11 ILE 62 1HD1 ILE 62 -3.855 -0.157 -6.681 514 HD12 ILE 62 2HD1 ILE 62 -3.350 0.410 -8.276 515 HD13 ILE 62 3HD1 ILE 62 -3.752 1.568 -7.010 516 H ILE 63 H ILE 63 -0.886 -3.611 -8.090 517 HA ILE 63 HA ILE 63 1.923 -4.006 -7.952 518 HB ILE 63 HB ILE 63 -0.209 -6.114 -8.513 519 HG12 ILE 63 2HG1 ILE 63 1.011 -5.234 -5.846 520 HG13 ILE 63 3HG1 ILE 63 -0.610 -4.822 -6.400 521 HG21 ILE 63 1HG2 ILE 63 1.451 -7.740 -7.618 522 HG22 ILE 63 2HG2 ILE 63 2.642 -6.448 -7.471 523 HG23 ILE 63 3HG2 ILE 63 2.063 -6.930 -9.065 524 HD11 ILE 63 1HD1 ILE 63 -0.672 -6.622 -4.811 525 HD12 ILE 63 2HD1 ILE 63 0.411 -7.587 -5.813 526 HD13 ILE 63 3HD1 ILE 63 -1.209 -7.184 -6.392 527 H LYS 64 H LYS 64 -0.366 -4.184 -10.690 528 HA LYS 64 HA LYS 64 1.299 -5.394 -12.631 529 HB2 LYS 64 2HB LYS 64 -0.892 -3.295 -13.033 530 HB3 LYS 64 3HB LYS 64 -0.214 -4.315 -14.300 531 HG2 LYS 64 2HG LYS 64 -1.222 -6.288 -13.383 532 HG3 LYS 64 3HG LYS 64 -1.643 -5.455 -11.890 533 HD2 LYS 64 2HD LYS 64 -3.667 -5.658 -13.163 534 HD3 LYS 64 3HD LYS 64 -3.185 -3.963 -13.239 535 HE2 LYS 64 2HE LYS 64 -3.927 -4.670 -15.430 536 HE3 LYS 64 3HE LYS 64 -2.180 -4.417 -15.496 537 HZ1 LYS 64 1HZ LYS 64 -2.781 -6.446 -16.618 538 HZ2 LYS 64 2HZ LYS 64 -3.570 -7.030 -15.242 539 HZ3 LYS 64 3HZ LYS 64 -1.895 -6.824 -15.228 540 H GLN 65 H GLN 65 0.754 -2.003 -11.690 541 HA GLN 65 HA GLN 65 2.561 -0.831 -13.572 542 HB2 GLN 65 2HB GLN 65 1.740 0.411 -10.918 543 HB3 GLN 65 3HB GLN 65 2.224 1.239 -12.390 544 HG2 GLN 65 2HG GLN 65 -0.366 -0.222 -11.872 545 HG3 GLN 65 3HG GLN 65 -0.141 1.507 -12.090 546 HE21 GLN 65 1HE2 GLN 65 0.240 2.298 -14.202 547 HE22 GLN 65 2HE2 GLN 65 -0.159 1.375 -15.606 548 H VAL 66 H VAL 66 2.964 -2.210 -10.369 549 HA VAL 66 HA VAL 66 5.649 -1.220 -9.937 550 HB VAL 66 HB VAL 66 4.002 -3.279 -8.388 551 HG11 VAL 66 1HG1 VAL 66 6.691 -2.066 -7.629 552 HG12 VAL 66 2HG1 VAL 66 6.389 -3.753 -8.050 553 HG13 VAL 66 3HG1 VAL 66 5.688 -3.075 -6.581 554 HG21 VAL 66 1HG2 VAL 66 3.730 -1.493 -6.708 555 HG22 VAL 66 2HG2 VAL 66 3.123 -0.959 -8.276 556 HG23 VAL 66 3HG2 VAL 66 4.688 -0.387 -7.701 557 H LEU 67 H LEU 67 4.194 -4.105 -11.359 558 HA LEU 67 HA LEU 67 6.588 -5.695 -11.469 559 HB2 LEU 67 2HB LEU 67 4.079 -5.796 -13.201 560 HB3 LEU 67 3HB LEU 67 5.376 -6.976 -13.279 561 HG LEU 67 HG LEU 67 3.530 -6.513 -10.900 562 HD11 LEU 67 1HD1 LEU 67 2.619 -8.733 -11.415 563 HD12 LEU 67 2HD1 LEU 67 3.656 -8.842 -12.840 564 HD13 LEU 67 3HD1 LEU 67 2.391 -7.614 -12.758 565 HD21 LEU 67 1HD2 LEU 67 4.586 -8.479 -9.866 566 HD22 LEU 67 2HD2 LEU 67 5.747 -7.175 -10.101 567 HD23 LEU 67 3HD2 LEU 67 5.750 -8.564 -11.191 568 H ASP 68 H ASP 68 5.011 -3.327 -13.555 569 HA ASP 68 HA ASP 68 6.809 -3.381 -15.735 570 HB2 ASP 68 2HB ASP 68 4.543 -2.508 -15.958 571 HB3 ASP 68 3HB ASP 68 4.835 -1.286 -14.726 572 H SER 69 H SER 69 6.692 -1.338 -12.786 573 HA SER 69 HA SER 69 8.907 0.335 -13.664 574 HB2 SER 69 2HB SER 69 8.570 1.505 -11.470 575 HB3 SER 69 3HB SER 69 7.087 1.387 -12.413 576 HG SER 69 HG SER 69 6.242 0.425 -10.771 577 H GLY 70 H GLY 70 8.344 -1.854 -10.904 578 HA2 GLY 70 2HA GLY 70 9.884 -3.473 -10.082 579 HA3 GLY 70 3HA GLY 70 11.219 -2.555 -10.772 580 H ALA 71 H ALA 71 8.523 -1.307 -8.839 581 HA ALA 71 HA ALA 71 10.350 -0.165 -6.845 582 HB1 ALA 71 1HB ALA 71 8.548 1.246 -7.776 583 HB2 ALA 71 2HB ALA 71 8.320 1.018 -6.043 584 HB3 ALA 71 3HB ALA 71 7.330 0.109 -7.189 585 H LYS 72 H LYS 72 9.423 -0.302 -4.467 586 HA LYS 72 HA LYS 72 8.702 -3.048 -3.718 587 HB2 LYS 72 2HB LYS 72 9.361 -0.553 -2.086 588 HB3 LYS 72 3HB LYS 72 8.632 -1.963 -1.333 589 HG2 LYS 72 2HG LYS 72 10.983 -2.065 -0.928 590 HG3 LYS 72 3HG LYS 72 10.584 -3.331 -2.087 591 HD2 LYS 72 2HD LYS 72 12.671 -2.257 -2.728 592 HD3 LYS 72 3HD LYS 72 11.435 -1.881 -3.929 593 HE2 LYS 72 2HE LYS 72 11.117 0.346 -2.879 594 HE3 LYS 72 3HE LYS 72 12.365 -0.044 -1.692 595 HZ1 LYS 72 1HZ LYS 72 12.750 0.178 -4.627 596 HZ2 LYS 72 2HZ LYS 72 13.951 -0.258 -3.519 597 HZ3 LYS 72 3HZ LYS 72 13.270 1.289 -3.459 598 H VAL 73 H VAL 73 6.684 -3.610 -2.871 599 HA VAL 73 HA VAL 73 4.628 -1.562 -2.517 600 HB VAL 73 HB VAL 73 4.316 -2.217 -4.860 601 HG11 VAL 73 1HG1 VAL 73 4.004 -5.076 -3.897 602 HG12 VAL 73 2HG1 VAL 73 5.324 -4.436 -4.874 603 HG13 VAL 73 3HG1 VAL 73 3.693 -4.512 -5.544 604 HG21 VAL 73 1HG2 VAL 73 2.106 -3.341 -3.088 605 HG22 VAL 73 2HG2 VAL 73 1.923 -2.877 -4.783 606 HG23 VAL 73 3HG2 VAL 73 2.304 -1.653 -3.570 607 H LEU 74 H LEU 74 3.397 -1.963 -0.830 608 HA LEU 74 HA LEU 74 3.320 -4.636 0.413 609 HB2 LEU 74 2HB LEU 74 4.369 -2.949 1.868 610 HB3 LEU 74 3HB LEU 74 2.994 -1.872 1.658 611 HG LEU 74 HG LEU 74 1.533 -3.425 2.877 612 HD11 LEU 74 1HD1 LEU 74 2.364 -5.457 3.929 613 HD12 LEU 74 2HD1 LEU 74 3.947 -5.226 3.185 614 HD13 LEU 74 3HD1 LEU 74 2.531 -5.541 2.176 615 HD21 LEU 74 1HD2 LEU 74 4.085 -2.883 4.434 616 HD22 LEU 74 2HD2 LEU 74 2.495 -3.223 5.123 617 HD23 LEU 74 3HD2 LEU 74 2.753 -1.748 4.196 618 H ILE 75 H ILE 75 1.356 -5.530 0.659 619 HA ILE 75 HA ILE 75 -1.068 -3.993 -0.053 620 HB ILE 75 HB ILE 75 -0.465 -6.953 -0.491 621 HG12 ILE 75 2HG1 ILE 75 0.655 -5.626 -2.181 622 HG13 ILE 75 3HG1 ILE 75 -0.753 -6.351 -2.941 623 HG21 ILE 75 1HG2 ILE 75 -2.692 -7.104 -1.582 624 HG22 ILE 75 2HG2 ILE 75 -3.045 -5.451 -1.075 625 HG23 ILE 75 3HG2 ILE 75 -2.817 -6.713 0.136 626 HD11 ILE 75 1HD1 ILE 75 -1.939 -4.179 -2.712 627 HD12 ILE 75 2HD1 ILE 75 -0.483 -4.088 -3.701 628 HD13 ILE 75 3HD1 ILE 75 -0.459 -3.480 -2.048 629 H LEU 76 H LEU 76 -2.315 -3.669 1.604 630 HA LEU 76 HA LEU 76 -2.471 -5.558 3.865 631 HB2 LEU 76 2HB LEU 76 -2.832 -2.525 3.872 632 HB3 LEU 76 3HB LEU 76 -3.047 -3.574 5.266 633 HG LEU 76 HG LEU 76 -0.415 -3.110 3.807 634 HD11 LEU 76 1HD1 LEU 76 0.310 -1.902 5.810 635 HD12 LEU 76 2HD1 LEU 76 -1.285 -2.111 6.536 636 HD13 LEU 76 3HD1 LEU 76 -1.099 -1.131 5.079 637 HD21 LEU 76 1HD2 LEU 76 -0.500 -5.376 4.716 638 HD22 LEU 76 2HD2 LEU 76 -0.964 -4.755 6.302 639 HD23 LEU 76 3HD2 LEU 76 0.631 -4.389 5.642 640 H SER 77 H SER 77 -4.407 -6.524 3.965 641 HA SER 77 HA SER 77 -6.855 -5.089 3.231 642 HB2 SER 77 2HB SER 77 -6.211 -6.315 1.150 643 HB3 SER 77 3HB SER 77 -6.161 -7.828 2.056 644 HG SER 77 HG SER 77 -8.412 -6.180 1.535 645 H SER 78 H SER 78 -8.665 -5.838 4.298 646 HA SER 78 HA SER 78 -8.288 -7.124 6.809 647 HB2 SER 78 2HB SER 78 -10.890 -6.545 5.323 648 HB3 SER 78 3HB SER 78 -10.728 -6.886 7.048 649 HG SER 78 HG SER 78 -10.816 -4.693 6.841 650 H ASP 79 H ASP 79 -9.426 -8.138 3.648 651 HA ASP 79 HA ASP 79 -10.384 -10.732 4.457 652 HB2 ASP 79 2HB ASP 79 -9.900 -9.502 1.712 653 HB3 ASP 79 3HB ASP 79 -10.561 -11.118 1.955 654 H GLU 80 H GLU 80 -9.007 -12.180 5.115 655 HA GLU 80 HA GLU 80 -6.232 -12.320 4.491 656 HB2 GLU 80 2HB GLU 80 -7.947 -14.519 5.732 657 HB3 GLU 80 3HB GLU 80 -6.205 -14.295 5.902 658 HG2 GLU 80 2HG GLU 80 -6.600 -12.183 7.117 659 HG3 GLU 80 3HG GLU 80 -8.335 -12.427 6.958 660 H ASN 81 H ASN 81 -9.114 -13.789 3.124 661 HA ASN 81 HA ASN 81 -7.799 -15.838 1.609 662 HB2 ASN 81 2HB ASN 81 -10.551 -14.594 1.141 663 HB3 ASN 81 3HB ASN 81 -9.952 -16.074 0.400 664 HD21 ASN 81 1HD2 ASN 81 -11.374 -14.691 3.206 665 HD22 ASN 81 2HD2 ASN 81 -11.534 -16.156 4.110 666 H ILE 82 H ILE 82 -8.694 -12.474 1.033 667 HA ILE 82 HA ILE 82 -7.899 -12.432 -1.732 668 HB ILE 82 HB ILE 82 -8.603 -10.238 0.254 669 HG12 ILE 82 2HG1 ILE 82 -9.924 -11.228 -2.320 670 HG13 ILE 82 3HG1 ILE 82 -10.438 -11.630 -0.687 671 HG21 ILE 82 1HG2 ILE 82 -8.446 -8.561 -1.583 672 HG22 ILE 82 2HG2 ILE 82 -7.691 -9.779 -2.612 673 HG23 ILE 82 3HG2 ILE 82 -6.868 -9.231 -1.153 674 HD11 ILE 82 1HD1 ILE 82 -10.560 -8.941 -2.017 675 HD12 ILE 82 2HD1 ILE 82 -10.952 -9.239 -0.321 676 HD13 ILE 82 3HD1 ILE 82 -11.904 -10.004 -1.593 677 H ILE 83 H ILE 83 -6.291 -11.584 1.366 678 HA ILE 83 HA ILE 83 -3.823 -10.720 0.362 679 HB ILE 83 HB ILE 83 -4.506 -12.228 2.928 680 HG12 ILE 83 2HG1 ILE 83 -5.331 -9.894 2.761 681 HG13 ILE 83 3HG1 ILE 83 -4.107 -10.026 4.017 682 HG21 ILE 83 1HG2 ILE 83 -2.237 -11.722 3.808 683 HG22 ILE 83 2HG2 ILE 83 -1.752 -11.142 2.213 684 HG23 ILE 83 3HG2 ILE 83 -2.180 -12.839 2.440 685 HD11 ILE 83 1HD1 ILE 83 -3.834 -7.977 2.743 686 HD12 ILE 83 2HD1 ILE 83 -3.689 -8.888 1.241 687 HD13 ILE 83 3HD1 ILE 83 -2.444 -9.032 2.485 688 H GLU 84 H GLU 84 -5.015 -14.024 0.970 689 HA GLU 84 HA GLU 84 -2.731 -15.492 0.212 690 HB2 GLU 84 2HB GLU 84 -4.642 -16.491 1.442 691 HB3 GLU 84 3HB GLU 84 -5.670 -16.301 0.023 692 HG2 GLU 84 2HG GLU 84 -4.097 -17.839 -1.222 693 HG3 GLU 84 3HG GLU 84 -3.247 -18.112 0.298 694 H SER 85 H SER 85 -5.528 -14.309 -1.677 695 HA SER 85 HA SER 85 -4.977 -15.504 -4.143 696 HB2 SER 85 2HB SER 85 -6.353 -12.843 -3.582 697 HB3 SER 85 3HB SER 85 -6.456 -13.748 -5.096 698 HG SER 85 HG SER 85 -7.099 -15.159 -2.798 699 H ILE 86 H ILE 86 -3.967 -12.383 -2.815 700 HA ILE 86 HA ILE 86 -2.608 -11.426 -5.121 701 HB ILE 86 HB ILE 86 -2.387 -10.581 -2.193 702 HG12 ILE 86 2HG1 ILE 86 -4.666 -10.263 -2.944 703 HG13 ILE 86 3HG1 ILE 86 -3.916 -8.679 -2.938 704 HG21 ILE 86 1HG2 ILE 86 -0.417 -9.798 -3.410 705 HG22 ILE 86 2HG2 ILE 86 -1.471 -8.440 -3.020 706 HG23 ILE 86 3HG2 ILE 86 -1.440 -9.088 -4.661 707 HD11 ILE 86 1HD1 ILE 86 -4.489 -10.396 -5.359 708 HD12 ILE 86 2HD1 ILE 86 -3.645 -8.846 -5.399 709 HD13 ILE 86 3HD1 ILE 86 -5.323 -8.921 -4.870 710 H ARG 87 H ARG 87 -1.618 -13.385 -2.365 711 HA ARG 87 HA ARG 87 1.212 -13.265 -2.870 712 HB2 ARG 87 2HB ARG 87 -0.435 -15.208 -1.199 713 HB3 ARG 87 3HB ARG 87 1.327 -15.172 -1.238 714 HG2 ARG 87 2HG ARG 87 1.269 -12.838 -0.384 715 HG3 ARG 87 3HG ARG 87 -0.483 -12.948 -0.272 716 HD2 ARG 87 2HD ARG 87 1.500 -14.669 1.249 717 HD3 ARG 87 3HD ARG 87 0.604 -13.302 1.905 718 HE ARG 87 HE ARG 87 -1.428 -14.580 1.720 719 HH11 ARG 87 1HH1 ARG 87 1.492 -16.451 1.213 720 HH12 ARG 87 2HH1 ARG 87 0.734 -17.968 1.589 721 HH21 ARG 87 1HH2 ARG 87 -2.404 -16.574 2.263 722 HH22 ARG 87 2HH2 ARG 87 -1.473 -18.040 2.181 723 H LYS 88 H LYS 88 -1.382 -15.540 -3.773 724 HA LYS 88 HA LYS 88 0.437 -17.575 -4.721 725 HB2 LYS 88 2HB LYS 88 -1.552 -18.830 -5.387 726 HB3 LYS 88 3HB LYS 88 -1.756 -18.193 -3.762 727 HG2 LYS 88 2HG LYS 88 -3.174 -16.378 -4.655 728 HG3 LYS 88 3HG LYS 88 -2.999 -17.041 -6.278 729 HD2 LYS 88 2HD LYS 88 -4.277 -18.486 -3.921 730 HD3 LYS 88 3HD LYS 88 -5.160 -17.660 -5.205 731 HE2 LYS 88 2HE LYS 88 -4.129 -19.235 -6.862 732 HE3 LYS 88 3HE LYS 88 -3.379 -20.102 -5.516 733 HZ1 LYS 88 1HZ LYS 88 -5.454 -21.129 -6.246 734 HZ2 LYS 88 2HZ LYS 88 -6.303 -19.714 -5.878 735 HZ3 LYS 88 3HZ LYS 88 -5.558 -20.598 -4.647 736 H GLN 89 H GLN 89 -1.399 -14.932 -6.189 737 HA GLN 89 HA GLN 89 -0.704 -15.553 -8.920 738 HB2 GLN 89 2HB GLN 89 -1.543 -12.907 -7.639 739 HB3 GLN 89 3HB GLN 89 -1.420 -13.190 -9.371 740 HG2 GLN 89 2HG GLN 89 -3.273 -14.740 -9.324 741 HG3 GLN 89 3HG GLN 89 -3.316 -14.703 -7.559 742 HE21 GLN 89 1HE2 GLN 89 -5.446 -13.985 -7.478 743 HE22 GLN 89 2HE2 GLN 89 -5.917 -12.385 -7.933 744 H TYR 90 H TYR 90 0.442 -13.192 -6.509 745 HA TYR 90 HA TYR 90 2.895 -12.650 -8.086 746 HB2 TYR 90 2HB TYR 90 1.604 -10.817 -6.017 747 HB3 TYR 90 3HB TYR 90 2.873 -10.410 -7.161 748 HD1 TYR 90 HD1 TYR 90 2.239 -10.411 -9.692 749 HD2 TYR 90 HD2 TYR 90 -0.678 -10.381 -6.562 750 HE1 TYR 90 HE1 TYR 90 0.563 -9.528 -11.253 751 HE2 TYR 90 HE2 TYR 90 -2.351 -9.501 -8.132 752 HH TYR 90 HH TYR 90 -1.890 -9.467 -11.480 753 HA PRO 91 HA PRO 91 4.507 -14.769 -4.282 754 HB2 PRO 91 2HB PRO 91 6.972 -15.432 -5.304 755 HB3 PRO 91 3HB PRO 91 5.497 -16.345 -5.683 756 HG2 PRO 91 2HG PRO 91 6.840 -14.198 -7.309 757 HG3 PRO 91 3HG PRO 91 6.234 -15.787 -7.835 758 HD2 PRO 91 2HD PRO 91 4.794 -13.532 -8.222 759 HD3 PRO 91 3HD PRO 91 4.005 -15.083 -7.850 760 H LYS 92 H LYS 92 5.991 -12.118 -6.078 761 HA LYS 92 HA LYS 92 8.167 -11.669 -4.239 762 HB2 LYS 92 2HB LYS 92 7.143 -9.989 -6.557 763 HB3 LYS 92 3HB LYS 92 8.615 -9.648 -5.655 764 HG2 LYS 92 2HG LYS 92 9.607 -11.762 -6.431 765 HG3 LYS 92 3HG LYS 92 8.125 -12.143 -7.322 766 HD2 LYS 92 2HD LYS 92 8.434 -10.182 -8.758 767 HD3 LYS 92 3HD LYS 92 9.836 -9.669 -7.815 768 HE2 LYS 92 2HE LYS 92 11.061 -11.689 -8.541 769 HE3 LYS 92 3HE LYS 92 9.655 -12.202 -9.482 770 HZ1 LYS 92 1HZ LYS 92 11.174 -9.686 -9.910 771 HZ2 LYS 92 2HZ LYS 92 9.858 -10.222 -10.827 772 HZ3 LYS 92 3HZ LYS 92 11.312 -11.084 -10.848 773 H VAL 93 H VAL 93 4.908 -10.403 -4.550 774 HA VAL 93 HA VAL 93 5.372 -7.831 -3.402 775 HB VAL 93 HB VAL 93 3.444 -8.241 -4.889 776 HG11 VAL 93 1HG1 VAL 93 2.259 -9.937 -2.663 777 HG12 VAL 93 2HG1 VAL 93 2.866 -10.533 -4.208 778 HG13 VAL 93 3HG1 VAL 93 1.450 -9.483 -4.168 779 HG21 VAL 93 1HG2 VAL 93 2.503 -7.410 -2.116 780 HG22 VAL 93 2HG2 VAL 93 1.728 -7.005 -3.650 781 HG23 VAL 93 3HG2 VAL 93 3.325 -6.363 -3.273 782 H GLU 94 H GLU 94 5.505 -7.231 -1.279 783 HA GLU 94 HA GLU 94 5.066 -9.063 0.870 784 HB2 GLU 94 2HB GLU 94 5.660 -6.097 0.782 785 HB3 GLU 94 3HB GLU 94 5.189 -6.869 2.293 786 HG2 GLU 94 2HG GLU 94 7.596 -6.727 2.187 787 HG3 GLU 94 3HG GLU 94 7.100 -8.416 2.110 788 H THR 95 H THR 95 3.362 -9.237 2.214 789 HA THR 95 HA THR 95 0.826 -7.873 1.697 790 HB THR 95 HB THR 95 -0.167 -10.347 1.564 791 HG1 THR 95 HG1 THR 95 2.384 -10.817 0.392 792 HG21 THR 95 1HG2 THR 95 -0.026 -10.397 -0.892 793 HG22 THR 95 2HG2 THR 95 1.260 -9.188 -0.861 794 HG23 THR 95 3HG2 THR 95 -0.366 -8.760 -0.324 795 H ARG 96 H ARG 96 -0.521 -8.002 3.503 796 HA ARG 96 HA ARG 96 -0.180 -9.958 5.585 797 HB2 ARG 96 2HB ARG 96 1.635 -8.422 6.203 798 HB3 ARG 96 3HB ARG 96 0.547 -7.043 6.119 799 HG2 ARG 96 2HG ARG 96 -0.717 -7.959 8.071 800 HG3 ARG 96 3HG ARG 96 0.444 -9.287 8.174 801 HD2 ARG 96 2HD ARG 96 2.243 -7.772 8.695 802 HD3 ARG 96 3HD ARG 96 1.246 -6.363 8.328 803 HE ARG 96 HE ARG 96 0.142 -7.905 10.465 804 HH11 ARG 96 1HH1 ARG 96 2.681 -5.584 9.727 805 HH12 ARG 96 2HH1 ARG 96 2.740 -4.952 11.341 806 HH21 ARG 96 1HH2 ARG 96 0.202 -7.015 12.562 807 HH22 ARG 96 2HH2 ARG 96 1.343 -5.763 12.937 808 H ARG 97 H ARG 97 -2.008 -10.082 6.856 809 HA ARG 97 HA ARG 97 -4.403 -8.771 6.093 810 HB2 ARG 97 2HB ARG 97 -4.380 -11.001 7.239 811 HB3 ARG 97 3HB ARG 97 -3.792 -10.223 8.706 812 HG2 ARG 97 2HG ARG 97 -5.994 -8.730 8.408 813 HG3 ARG 97 3HG ARG 97 -6.534 -10.115 7.456 814 HD2 ARG 97 2HD ARG 97 -7.328 -10.444 9.679 815 HD3 ARG 97 3HD ARG 97 -5.977 -11.569 9.465 816 HE ARG 97 HE ARG 97 -5.177 -9.041 10.578 817 HH11 ARG 97 1HH1 ARG 97 -6.519 -12.180 11.458 818 HH12 ARG 97 2HH1 ARG 97 -5.966 -12.075 13.100 819 HH21 ARG 97 1HH2 ARG 97 -4.532 -8.888 12.699 820 HH22 ARG 97 2HH2 ARG 97 -4.831 -10.195 13.811 821 H ALA 98 H ALA 98 -5.118 -6.837 6.703 822 HA ALA 98 HA ALA 98 -4.455 -5.696 9.316 823 HB1 ALA 98 1HB ALA 98 -2.813 -4.666 7.791 824 HB2 ALA 98 2HB ALA 98 -3.997 -3.479 8.334 825 HB3 ALA 98 3HB ALA 98 -4.111 -4.159 6.706 826 H GLN 99 H GLN 99 -6.434 -5.733 10.095 827 HA GLN 99 HA GLN 99 -8.798 -5.128 8.431 828 HB2 GLN 99 2HB GLN 99 -8.730 -6.038 11.345 829 HB3 GLN 99 3HB GLN 99 -10.115 -6.057 10.253 830 HG2 GLN 99 2HG GLN 99 -9.172 -7.852 8.957 831 HG3 GLN 99 3HG GLN 99 -7.626 -7.725 9.798 832 HE21 GLN 99 1HE2 GLN 99 -7.509 -8.390 11.992 833 HE22 GLN 99 2HE2 GLN 99 -8.639 -9.532 12.633 834 H ASP 100 H ASP 100 -7.440 -4.263 11.579 835 HA ASP 100 HA ASP 100 -9.035 -1.804 11.748 836 HB2 ASP 100 2HB ASP 100 -8.800 -3.421 13.703 837 HB3 ASP 100 3HB ASP 100 -7.090 -3.023 13.777 838 H LYS 101 H LYS 101 -7.978 0.210 12.183 839 HA LYS 101 HA LYS 101 -5.912 0.899 10.444 840 HB2 LYS 101 2HB LYS 101 -5.920 3.131 11.436 841 HB3 LYS 101 3HB LYS 101 -7.562 2.563 11.216 842 HG2 LYS 101 2HG LYS 101 -6.197 2.322 13.907 843 HG3 LYS 101 3HG LYS 101 -6.941 3.837 13.404 844 HD2 LYS 101 2HD LYS 101 -9.117 2.741 13.194 845 HD3 LYS 101 3HD LYS 101 -8.390 1.177 13.572 846 HE2 LYS 101 2HE LYS 101 -7.712 2.167 15.823 847 HE3 LYS 101 3HE LYS 101 -8.748 3.544 15.432 848 HZ1 LYS 101 1HZ LYS 101 -9.898 1.892 16.770 849 HZ2 LYS 101 2HZ LYS 101 -9.630 0.709 15.589 850 HZ3 LYS 101 3HZ LYS 101 -10.620 2.038 15.251 851 H GLU 102 H GLU 102 -5.698 -0.213 13.780 852 HA GLU 102 HA GLU 102 -3.085 0.733 14.364 853 HB2 GLU 102 2HB GLU 102 -3.024 -0.881 16.201 854 HB3 GLU 102 3HB GLU 102 -4.597 -0.097 16.153 855 HG2 GLU 102 2HG GLU 102 -5.589 -2.100 15.124 856 HG3 GLU 102 3HG GLU 102 -4.012 -2.883 15.092 857 H GLU 103 H GLU 103 -4.271 -2.338 12.996 858 HA GLU 103 HA GLU 103 -1.832 -3.676 12.635 859 HB2 GLU 103 2HB GLU 103 -4.391 -3.904 10.987 860 HB3 GLU 103 3HB GLU 103 -3.064 -5.059 10.953 861 HG2 GLU 103 2HG GLU 103 -3.485 -5.667 13.281 862 HG3 GLU 103 3HG GLU 103 -4.751 -4.447 13.396 863 H VAL 104 H VAL 104 -3.499 -1.298 10.642 864 HA VAL 104 HA VAL 104 -1.959 -1.659 8.266 865 HB VAL 104 HB VAL 104 -3.578 0.805 9.079 866 HG11 VAL 104 1HG1 VAL 104 -2.632 -0.125 6.337 867 HG12 VAL 104 2HG1 VAL 104 -2.010 1.260 7.237 868 HG13 VAL 104 3HG1 VAL 104 -3.668 1.266 6.642 869 HG21 VAL 104 1HG2 VAL 104 -4.486 -1.616 7.470 870 HG22 VAL 104 2HG2 VAL 104 -5.442 -0.164 7.779 871 HG23 VAL 104 3HG2 VAL 104 -4.987 -1.224 9.115 872 H LYS 105 H LYS 105 -1.947 0.978 10.740 873 HA LYS 105 HA LYS 105 0.235 2.345 9.527 874 HB2 LYS 105 2HB LYS 105 0.185 3.836 11.477 875 HB3 LYS 105 3HB LYS 105 -1.424 3.561 10.838 876 HG2 LYS 105 2HG LYS 105 -1.814 1.899 12.673 877 HG3 LYS 105 3HG LYS 105 -0.249 2.353 13.356 878 HD2 LYS 105 2HD LYS 105 -1.025 4.667 13.671 879 HD3 LYS 105 3HD LYS 105 -2.562 4.283 12.891 880 HE2 LYS 105 2HE LYS 105 -3.124 2.734 14.710 881 HE3 LYS 105 3HE LYS 105 -1.568 3.051 15.483 882 HZ1 LYS 105 1HZ LYS 105 -3.534 4.301 16.374 883 HZ2 LYS 105 2HZ LYS 105 -3.540 5.188 14.938 884 HZ3 LYS 105 3HZ LYS 105 -2.200 5.248 15.960 885 H ASP 106 H ASP 106 0.063 0.067 12.258 886 HA ASP 106 HA ASP 106 2.704 -0.105 13.033 887 HB2 ASP 106 2HB ASP 106 0.953 -1.378 14.153 888 HB3 ASP 106 3HB ASP 106 0.598 -2.292 12.694 889 H ALA 107 H ALA 107 1.107 -1.823 10.318 890 HA ALA 107 HA ALA 107 3.432 -3.199 9.415 891 HB1 ALA 107 1HB ALA 107 2.061 -3.797 7.454 892 HB2 ALA 107 2HB ALA 107 0.831 -2.632 7.956 893 HB3 ALA 107 3HB ALA 107 1.181 -4.038 8.963 894 H VAL 108 H VAL 108 2.063 -0.039 8.649 895 HA VAL 108 HA VAL 108 3.587 0.561 6.353 896 HB VAL 108 HB VAL 108 2.377 2.411 8.463 897 HG11 VAL 108 1HG1 VAL 108 3.586 3.221 5.780 898 HG12 VAL 108 2HG1 VAL 108 4.250 3.604 7.369 899 HG13 VAL 108 3HG1 VAL 108 2.703 4.287 6.876 900 HG21 VAL 108 1HG2 VAL 108 0.759 1.078 7.141 901 HG22 VAL 108 2HG2 VAL 108 1.452 1.708 5.647 902 HG23 VAL 108 3HG2 VAL 108 0.626 2.796 6.764 903 H GLU 109 H GLU 109 4.137 1.481 9.776 904 HA GLU 109 HA GLU 109 6.695 2.603 9.509 905 HB2 GLU 109 2HB GLU 109 5.245 2.830 11.531 906 HB3 GLU 109 3HB GLU 109 5.546 1.143 11.931 907 HG2 GLU 109 2HG GLU 109 8.035 1.767 12.023 908 HG3 GLU 109 3HG GLU 109 7.512 3.449 11.951 909 H GLU 110 H GLU 110 5.647 -0.703 9.987 910 HA GLU 110 HA GLU 110 8.128 -1.919 10.588 911 HB2 GLU 110 2HB GLU 110 5.846 -2.886 11.073 912 HB3 GLU 110 3HB GLU 110 5.637 -3.179 9.352 913 HG2 GLU 110 2HG GLU 110 6.248 -5.249 10.394 914 HG3 GLU 110 3HG GLU 110 7.618 -4.711 9.425 915 H PHE 111 H PHE 111 6.384 -1.309 7.554 916 HA PHE 111 HA PHE 111 8.135 -2.802 5.830 917 HB2 PHE 111 2HB PHE 111 5.684 -2.187 5.389 918 HB3 PHE 111 3HB PHE 111 6.225 -0.555 5.027 919 HD1 PHE 111 HD1 PHE 111 6.876 -4.124 4.021 920 HD2 PHE 111 HD2 PHE 111 6.681 -0.042 2.758 921 HE1 PHE 111 HE1 PHE 111 7.202 -4.816 1.690 922 HE2 PHE 111 HE2 PHE 111 7.015 -0.751 0.425 923 HZ PHE 111 HZ PHE 111 7.272 -3.140 -0.113 924 H LEU 112 H LEU 112 7.989 0.477 7.019 925 HA LEU 112 HA LEU 112 9.896 1.673 5.256 926 HB2 LEU 112 2HB LEU 112 8.941 2.505 8.028 927 HB3 LEU 112 3HB LEU 112 9.897 3.523 6.957 928 HG LEU 112 HG LEU 112 7.124 2.484 6.250 929 HD11 LEU 112 1HD1 LEU 112 6.961 3.948 8.195 930 HD12 LEU 112 2HD1 LEU 112 6.253 4.699 6.769 931 HD13 LEU 112 3HD1 LEU 112 7.844 5.215 7.339 932 HD21 LEU 112 1HD2 LEU 112 8.812 4.633 4.938 933 HD22 LEU 112 2HD2 LEU 112 7.162 4.194 4.488 934 HD23 LEU 112 3HD2 LEU 112 8.466 3.028 4.288 935 H LYS 113 H LYS 113 10.112 0.356 8.579 936 HA LYS 113 HA LYS 113 12.884 0.959 8.946 937 HB2 LYS 113 2HB LYS 113 10.944 -0.797 10.511 938 HB3 LYS 113 3HB LYS 113 12.615 -0.535 11.008 939 HG2 LYS 113 2HG LYS 113 12.195 1.894 11.180 940 HG3 LYS 113 3HG LYS 113 10.514 1.641 10.699 941 HD2 LYS 113 2HD LYS 113 10.058 0.383 12.736 942 HD3 LYS 113 3HD LYS 113 11.768 0.391 13.180 943 HE2 LYS 113 2HE LYS 113 11.711 2.814 13.502 944 HE3 LYS 113 3HE LYS 113 10.036 2.879 12.947 945 HZ1 LYS 113 1HZ LYS 113 10.992 1.467 15.383 946 HZ2 LYS 113 2HZ LYS 113 9.386 1.552 14.856 947 HZ3 LYS 113 3HZ LYS 113 10.189 2.953 15.351 948 H GLU 114 H GLU 114 11.123 -1.966 7.951 949 HA GLU 114 HA GLU 114 13.554 -3.577 7.771 950 HB2 GLU 114 2HB GLU 114 10.680 -4.206 6.981 951 HB3 GLU 114 3HB GLU 114 12.005 -5.362 6.933 952 HG2 GLU 114 2HG GLU 114 10.944 -4.001 9.427 953 HG3 GLU 114 3HG GLU 114 10.582 -5.651 8.929 954 H GLY 115 H GLY 115 11.870 -1.399 5.712 955 HA2 GLY 115 2HA GLY 115 12.689 -0.549 3.692 956 HA3 GLY 115 3HA GLY 115 13.727 -1.956 3.509 957 H GLY 116 H GLY 116 12.186 -4.071 3.489 958 HA2 GLY 116 2HA GLY 116 9.764 -3.759 1.898 959 HA3 GLY 116 3HA GLY 116 11.135 -4.486 1.060 960 H SER 117 H SER 117 9.841 -4.781 4.378 961 HA SER 117 HA SER 117 8.914 -7.496 4.023 962 HB2 SER 117 2HB SER 117 11.351 -6.960 5.797 963 HB3 SER 117 3HB SER 117 10.410 -8.452 5.844 964 HG SER 117 HG SER 117 11.090 -8.957 3.824 965 H LEU 118 H LEU 118 7.762 -8.289 5.934 966 HA LEU 118 HA LEU 118 7.236 -6.280 8.061 967 HB2 LEU 118 2HB LEU 118 5.170 -8.085 6.742 968 HB3 LEU 118 3HB LEU 118 4.878 -7.120 8.182 969 HG LEU 118 HG LEU 118 5.330 -6.118 5.352 970 HD11 LEU 118 1HD1 LEU 118 2.998 -5.864 7.273 971 HD12 LEU 118 2HD1 LEU 118 3.079 -6.897 5.840 972 HD13 LEU 118 3HD1 LEU 118 3.098 -5.149 5.663 973 HD21 LEU 118 1HD2 LEU 118 5.102 -3.834 6.239 974 HD22 LEU 118 2HD2 LEU 118 6.553 -4.624 6.843 975 HD23 LEU 118 3HD2 LEU 118 5.140 -4.463 7.888 976 H GLU 119 H GLU 119 6.510 -9.627 7.179 977 HA GLU 119 HA GLU 119 6.275 -10.625 9.779 978 HB2 GLU 119 2HB GLU 119 6.285 -12.876 8.734 979 HB3 GLU 119 3HB GLU 119 5.172 -11.769 7.957 980 HG2 GLU 119 2HG GLU 119 7.914 -12.299 6.812 981 HG3 GLU 119 3HG GLU 119 6.576 -13.385 6.485 982 H HIS 120 H HIS 120 7.852 -10.610 11.213 983 HA HIS 120 HA HIS 120 10.646 -10.649 10.564 984 HB2 HIS 120 2HB HIS 120 9.091 -10.526 13.159 985 HB3 HIS 120 3HB HIS 120 10.814 -10.882 13.211 986 HD1 HIS 120 HD1 HIS 120 12.376 -8.952 13.099 987 HD2 HIS 120 HD2 HIS 120 8.527 -7.895 11.956 988 HE1 HIS 120 HE1 HIS 120 12.408 -6.453 12.862 989 HE2 HIS 120 HE2 HIS 120 10.046 -5.839 12.290 990 H HIS 121 H HIS 121 10.745 -12.574 9.396 991 HA HIS 121 HA HIS 121 11.136 -15.011 11.047 992 HB2 HIS 121 2HB HIS 121 10.154 -14.814 8.156 993 HB3 HIS 121 3HB HIS 121 10.659 -16.315 8.922 994 HD1 HIS 121 HD1 HIS 121 8.651 -17.652 9.494 995 HD2 HIS 121 HD2 HIS 121 7.956 -13.598 10.045 996 HE1 HIS 121 HE1 HIS 121 6.276 -17.469 10.291 997 HE2 HIS 121 HE2 HIS 121 5.922 -15.021 10.722 998 H HIS 122 H HIS 122 11.967 -13.823 7.756 999 HA HIS 122 HA HIS 122 14.763 -13.432 8.380 1000 HB2 HIS 122 2HB HIS 122 13.924 -15.783 6.642 1001 HB3 HIS 122 3HB HIS 122 15.482 -14.998 6.392 1002 HD1 HIS 122 HD1 HIS 122 13.973 -17.685 8.248 1003 HD2 HIS 122 HD2 HIS 122 17.057 -14.992 8.954 1004 HE1 HIS 122 HE1 HIS 122 15.338 -18.690 10.096 1005 HE2 HIS 122 HE2 HIS 122 17.238 -17.087 10.451 1006 H HIS 123 H HIS 123 12.396 -13.824 5.736 1007 HA HIS 123 HA HIS 123 13.198 -11.226 4.607 1008 HB2 HIS 123 2HB HIS 123 12.894 -13.785 2.968 1009 HB3 HIS 123 3HB HIS 123 12.979 -12.178 2.265 1010 HD1 HIS 123 HD1 HIS 123 15.311 -11.004 2.274 1011 HD2 HIS 123 HD2 HIS 123 15.346 -14.898 3.733 1012 HE1 HIS 123 HE1 HIS 123 17.716 -11.709 2.263 1013 HE2 HIS 123 HE2 HIS 123 17.693 -14.114 2.996 1014 H HIS 124 H HIS 124 10.915 -13.810 3.581 1015 HA HIS 124 HA HIS 124 8.536 -12.308 4.199 1016 HB2 HIS 124 2HB HIS 124 9.233 -10.983 2.263 1017 HB3 HIS 124 3HB HIS 124 9.527 -12.428 1.310 1018 HD1 HIS 124 HD1 HIS 124 6.494 -10.943 3.102 1019 HD2 HIS 124 HD2 HIS 124 7.504 -12.827 -0.467 1020 HE1 HIS 124 HE1 HIS 124 4.366 -11.072 1.778 1021 HE2 HIS 124 HE2 HIS 124 5.051 -12.030 -0.439 1022 H HIS 125 H HIS 125 6.659 -13.593 3.964 1023 HA HIS 125 HA HIS 125 7.014 -16.377 3.079 1024 HB2 HIS 125 2HB HIS 125 5.916 -15.997 5.291 1025 HB3 HIS 125 3HB HIS 125 4.634 -15.082 4.503 1026 HD1 HIS 125 HD1 HIS 125 5.819 -18.560 5.135 1027 HD2 HIS 125 HD2 HIS 125 2.741 -16.694 3.065 1028 HE1 HIS 125 HE1 HIS 125 4.156 -20.366 4.633 1029 HE2 HIS 125 HE2 HIS 125 2.425 -19.255 3.188 Start of MODEL 8 1 H1 MET 1 1H MET 1 13.829 10.586 -7.010 2 H2 MET 1 2H MET 1 12.715 9.315 -7.054 3 H3 MET 1 3H MET 1 14.148 9.220 -7.945 4 HA MET 1 HA MET 1 14.217 7.860 -5.954 5 HB2 MET 1 2HB MET 1 16.305 8.748 -6.916 6 HB3 MET 1 3HB MET 1 16.134 10.235 -5.997 7 HG2 MET 1 2HG MET 1 16.475 9.007 -3.906 8 HG3 MET 1 3HG MET 1 16.558 7.480 -4.785 9 HE1 MET 1 1HE MET 1 18.317 8.285 -7.367 10 HE2 MET 1 2HE MET 1 18.569 6.824 -6.413 11 HE3 MET 1 3HE MET 1 19.931 7.880 -6.775 12 H GLY 2 H GLY 2 13.518 7.626 -3.906 13 HA2 GLY 2 2HA GLY 2 12.918 8.106 -1.733 14 HA3 GLY 2 3HA GLY 2 13.410 9.776 -1.981 15 H LYS 3 H LYS 3 10.787 7.441 -2.438 16 HA LYS 3 HA LYS 3 8.859 9.462 -1.832 17 HB2 LYS 3 2HB LYS 3 9.061 9.953 -4.228 18 HB3 LYS 3 3HB LYS 3 8.766 8.265 -4.629 19 HG2 LYS 3 2HG LYS 3 6.783 9.684 -5.017 20 HG3 LYS 3 3HG LYS 3 6.471 8.419 -3.835 21 HD2 LYS 3 2HD LYS 3 5.409 10.499 -3.141 22 HD3 LYS 3 3HD LYS 3 6.681 10.069 -2.004 23 HE2 LYS 3 2HE LYS 3 7.164 12.066 -4.234 24 HE3 LYS 3 3HE LYS 3 6.441 12.544 -2.701 25 HZ1 LYS 3 1HZ LYS 3 8.779 12.938 -2.645 26 HZ2 LYS 3 2HZ LYS 3 9.134 11.345 -3.064 27 HZ3 LYS 3 3HZ LYS 3 8.424 11.685 -1.568 28 H VAL 4 H VAL 4 7.980 8.353 -0.268 29 HA VAL 4 HA VAL 4 6.841 5.685 -0.663 30 HB VAL 4 HB VAL 4 6.591 7.508 1.776 31 HG11 VAL 4 1HG1 VAL 4 6.199 4.501 1.525 32 HG12 VAL 4 2HG1 VAL 4 4.912 5.699 1.673 33 HG13 VAL 4 3HG1 VAL 4 6.037 5.449 3.009 34 HG21 VAL 4 1HG2 VAL 4 8.986 7.088 1.369 35 HG22 VAL 4 2HG2 VAL 4 8.684 5.351 1.332 36 HG23 VAL 4 3HG2 VAL 4 8.432 6.253 2.823 37 H VAL 5 H VAL 5 4.829 5.573 -1.538 38 HA VAL 5 HA VAL 5 2.886 7.756 -1.013 39 HB VAL 5 HB VAL 5 3.051 5.906 -3.432 40 HG11 VAL 5 1HG1 VAL 5 1.036 7.073 -4.300 41 HG12 VAL 5 2HG1 VAL 5 0.892 7.943 -2.771 42 HG13 VAL 5 3HG1 VAL 5 0.681 6.191 -2.811 43 HG21 VAL 5 1HG2 VAL 5 4.607 7.811 -3.544 44 HG22 VAL 5 2HG2 VAL 5 3.276 8.928 -3.231 45 HG23 VAL 5 3HG2 VAL 5 3.310 7.994 -4.729 46 H PHE 6 H PHE 6 1.414 7.144 0.428 47 HA PHE 6 HA PHE 6 0.590 4.345 0.684 48 HB2 PHE 6 2HB PHE 6 1.124 5.657 2.756 49 HB3 PHE 6 3HB PHE 6 -0.199 6.755 2.375 50 HD1 PHE 6 HD1 PHE 6 0.468 3.108 2.805 51 HD2 PHE 6 HD2 PHE 6 -2.310 6.313 3.368 52 HE1 PHE 6 HE1 PHE 6 -1.080 1.569 3.904 53 HE2 PHE 6 HE2 PHE 6 -3.849 4.753 4.467 54 HZ PHE 6 HZ PHE 6 -3.236 2.382 4.726 55 H LEU 7 H LEU 7 -0.831 3.861 -0.900 56 HA LEU 7 HA LEU 7 -3.036 5.674 -1.603 57 HB2 LEU 7 2HB LEU 7 -1.867 4.652 -3.479 58 HB3 LEU 7 3HB LEU 7 -2.077 3.048 -2.795 59 HG LEU 7 HG LEU 7 -4.548 3.221 -3.157 60 HD11 LEU 7 1HD1 LEU 7 -4.815 5.640 -3.021 61 HD12 LEU 7 2HD1 LEU 7 -5.480 5.024 -4.531 62 HD13 LEU 7 3HD1 LEU 7 -3.919 5.847 -4.529 63 HD21 LEU 7 1HD2 LEU 7 -3.142 2.138 -4.840 64 HD22 LEU 7 2HD2 LEU 7 -2.910 3.685 -5.663 65 HD23 LEU 7 3HD2 LEU 7 -4.517 2.953 -5.583 66 H SER 8 H SER 8 -4.770 5.514 -0.266 67 HA SER 8 HA SER 8 -5.827 2.848 0.415 68 HB2 SER 8 2HB SER 8 -4.801 3.711 2.468 69 HB3 SER 8 3HB SER 8 -5.656 5.239 2.299 70 HG SER 8 HG SER 8 -7.067 4.273 3.536 71 H ASP 9 H ASP 9 -8.028 2.682 0.322 72 HA ASP 9 HA ASP 9 -9.466 4.837 -1.076 73 HB2 ASP 9 2HB ASP 9 -9.354 2.383 -1.894 74 HB3 ASP 9 3HB ASP 9 -10.417 1.985 -0.555 75 H ASP 10 H ASP 10 -8.865 4.230 2.034 76 HA ASP 10 HA ASP 10 -11.618 4.701 3.066 77 HB2 ASP 10 2HB ASP 10 -10.803 2.302 3.313 78 HB3 ASP 10 3HB ASP 10 -9.486 2.899 4.308 79 H GLN 11 H GLN 11 -11.758 6.370 4.502 80 HA GLN 11 HA GLN 11 -9.588 8.172 4.853 81 HB2 GLN 11 2HB GLN 11 -11.917 8.950 4.686 82 HB3 GLN 11 3HB GLN 11 -12.324 8.131 6.186 83 HG2 GLN 11 2HG GLN 11 -12.109 10.492 6.631 84 HG3 GLN 11 3HG GLN 11 -10.766 9.663 7.407 85 HE21 GLN 11 1HE2 GLN 11 -8.670 9.901 6.535 86 HE22 GLN 11 2HE2 GLN 11 -8.271 11.218 5.496 87 H GLU 12 H GLU 12 -11.259 6.005 7.158 88 HA GLU 12 HA GLU 12 -10.125 6.764 9.568 89 HB2 GLU 12 2HB GLU 12 -10.920 3.983 8.608 90 HB3 GLU 12 3HB GLU 12 -10.490 4.327 10.282 91 HG2 GLU 12 2HG GLU 12 -12.802 5.621 8.792 92 HG3 GLU 12 3HG GLU 12 -12.940 4.224 9.856 93 H ILE 13 H ILE 13 -8.841 4.708 7.085 94 HA ILE 13 HA ILE 13 -6.569 3.678 8.450 95 HB ILE 13 HB ILE 13 -7.098 3.987 5.472 96 HG12 ILE 13 2HG1 ILE 13 -8.867 2.625 6.548 97 HG13 ILE 13 3HG1 ILE 13 -7.871 1.642 5.488 98 HG21 ILE 13 1HG2 ILE 13 -5.440 2.208 5.169 99 HG22 ILE 13 2HG2 ILE 13 -5.125 2.201 6.905 100 HG23 ILE 13 3HG2 ILE 13 -4.738 3.626 5.940 101 HD11 ILE 13 1HD1 ILE 13 -8.430 0.448 7.494 102 HD12 ILE 13 2HD1 ILE 13 -7.744 1.724 8.494 103 HD13 ILE 13 3HD1 ILE 13 -6.696 0.758 7.455 104 H ILE 14 H ILE 14 -7.040 6.281 6.049 105 HA ILE 14 HA ILE 14 -4.375 7.017 5.608 106 HB ILE 14 HB ILE 14 -6.901 8.712 5.330 107 HG12 ILE 14 2HG1 ILE 14 -5.396 7.118 3.206 108 HG13 ILE 14 3HG1 ILE 14 -6.869 6.578 3.998 109 HG21 ILE 14 1HG2 ILE 14 -4.914 10.167 5.361 110 HG22 ILE 14 2HG2 ILE 14 -5.628 10.127 3.749 111 HG23 ILE 14 3HG2 ILE 14 -4.168 9.195 4.090 112 HD11 ILE 14 1HD1 ILE 14 -6.597 8.984 2.198 113 HD12 ILE 14 2HD1 ILE 14 -8.078 8.478 3.018 114 HD13 ILE 14 3HD1 ILE 14 -7.344 7.437 1.798 115 H GLU 15 H GLU 15 -6.714 8.209 7.992 116 HA GLU 15 HA GLU 15 -5.328 10.481 8.937 117 HB2 GLU 15 2HB GLU 15 -7.348 8.700 10.372 118 HB3 GLU 15 3HB GLU 15 -6.858 10.309 10.912 119 HG2 GLU 15 2HG GLU 15 -7.822 11.312 8.908 120 HG3 GLU 15 3HG GLU 15 -8.236 9.720 8.273 121 H GLU 16 H GLU 16 -5.448 7.134 10.090 122 HA GLU 16 HA GLU 16 -3.804 7.420 12.372 123 HB2 GLU 16 2HB GLU 16 -4.594 5.026 10.690 124 HB3 GLU 16 3HB GLU 16 -3.638 4.871 12.156 125 HG2 GLU 16 2HG GLU 16 -6.398 6.102 12.030 126 HG3 GLU 16 3HG GLU 16 -6.069 4.430 12.459 127 H VAL 17 H VAL 17 -3.102 6.290 9.070 128 HA VAL 17 HA VAL 17 -0.395 5.591 9.490 129 HB VAL 17 HB VAL 17 -1.912 6.275 6.937 130 HG11 VAL 17 1HG1 VAL 17 -0.088 5.126 5.688 131 HG12 VAL 17 2HG1 VAL 17 0.847 5.018 7.183 132 HG13 VAL 17 3HG1 VAL 17 0.475 6.596 6.485 133 HG21 VAL 17 1HG2 VAL 17 -1.163 3.582 8.139 134 HG22 VAL 17 2HG2 VAL 17 -2.022 3.824 6.620 135 HG23 VAL 17 3HG2 VAL 17 -2.776 4.300 8.140 136 H SER 18 H SER 18 -1.941 8.576 8.335 137 HA SER 18 HA SER 18 0.456 9.928 7.628 138 HB2 SER 18 2HB SER 18 -1.782 10.479 6.669 139 HB3 SER 18 3HB SER 18 -2.272 11.129 8.233 140 HG SER 18 HG SER 18 -0.599 12.681 8.033 141 H LYS 19 H LYS 19 -1.532 9.872 10.580 142 HA LYS 19 HA LYS 19 -0.138 11.997 11.905 143 HB2 LYS 19 2HB LYS 19 -2.455 11.409 12.509 144 HB3 LYS 19 3HB LYS 19 -1.931 9.816 13.036 145 HG2 LYS 19 2HG LYS 19 -2.340 11.287 14.946 146 HG3 LYS 19 3HG LYS 19 -0.652 10.800 14.877 147 HD2 LYS 19 2HD LYS 19 -0.871 13.185 15.486 148 HD3 LYS 19 3HD LYS 19 -0.020 13.000 13.952 149 HE2 LYS 19 2HE LYS 19 -2.092 13.600 12.742 150 HE3 LYS 19 3HE LYS 19 -2.950 13.746 14.276 151 HZ1 LYS 19 1HZ LYS 19 -1.441 15.545 14.884 152 HZ2 LYS 19 2HZ LYS 19 -2.284 15.897 13.464 153 HZ3 LYS 19 3HZ LYS 19 -0.664 15.421 13.387 154 H LYS 20 H LYS 20 0.071 8.464 12.018 155 HA LYS 20 HA LYS 20 2.193 8.215 13.866 156 HB2 LYS 20 2HB LYS 20 0.757 6.340 13.155 157 HB3 LYS 20 3HB LYS 20 1.463 6.403 11.542 158 HG2 LYS 20 2HG LYS 20 3.592 5.641 12.335 159 HG3 LYS 20 3HG LYS 20 3.134 5.893 14.023 160 HD2 LYS 20 2HD LYS 20 1.423 4.110 13.807 161 HD3 LYS 20 3HD LYS 20 1.927 3.845 12.136 162 HE2 LYS 20 2HE LYS 20 2.892 2.173 13.616 163 HE3 LYS 20 3HE LYS 20 4.152 3.182 12.918 164 HZ1 LYS 20 1HZ LYS 20 4.587 2.819 15.222 165 HZ2 LYS 20 2HZ LYS 20 3.056 3.380 15.663 166 HZ3 LYS 20 3HZ LYS 20 4.190 4.445 15.004 167 H ALA 21 H ALA 21 2.170 8.564 10.329 168 HA ALA 21 HA ALA 21 4.929 8.467 9.824 169 HB1 ALA 21 1HB ALA 21 4.393 9.597 7.697 170 HB2 ALA 21 2HB ALA 21 2.784 9.992 8.312 171 HB3 ALA 21 3HB ALA 21 3.235 8.308 8.046 172 H GLU 22 H GLU 22 2.801 11.093 10.797 173 HA GLU 22 HA GLU 22 4.547 13.289 10.579 174 HB2 GLU 22 2HB GLU 22 2.120 13.531 10.877 175 HB3 GLU 22 3HB GLU 22 2.211 12.803 12.474 176 HG2 GLU 22 2HG GLU 22 3.528 14.728 13.281 177 HG3 GLU 22 3HG GLU 22 3.449 15.449 11.674 178 H GLU 23 H GLU 23 3.784 11.207 13.367 179 HA GLU 23 HA GLU 23 5.615 12.303 15.192 180 HB2 GLU 23 2HB GLU 23 4.323 9.560 15.036 181 HB3 GLU 23 3HB GLU 23 5.258 10.108 16.424 182 HG2 GLU 23 2HG GLU 23 2.699 11.379 15.388 183 HG3 GLU 23 3HG GLU 23 2.836 10.336 16.803 184 H GLU 24 H GLU 24 6.042 9.842 12.693 185 HA GLU 24 HA GLU 24 8.640 8.984 13.761 186 HB2 GLU 24 2HB GLU 24 6.995 7.969 11.416 187 HB3 GLU 24 3HB GLU 24 8.533 7.280 11.926 188 HG2 GLU 24 2HG GLU 24 5.957 7.322 13.533 189 HG3 GLU 24 3HG GLU 24 6.657 5.931 12.709 190 H GLY 25 H GLY 25 7.560 11.399 11.662 191 HA2 GLY 25 2HA GLY 25 8.799 12.950 10.485 192 HA3 GLY 25 3HA GLY 25 10.253 12.018 10.791 193 H TYR 26 H TYR 26 7.575 10.383 9.353 194 HA TYR 26 HA TYR 26 8.898 10.122 6.774 195 HB2 TYR 26 2HB TYR 26 6.327 8.870 7.821 196 HB3 TYR 26 3HB TYR 26 7.078 8.494 6.275 197 HD1 TYR 26 HD1 TYR 26 9.863 8.083 6.816 198 HD2 TYR 26 HD2 TYR 26 6.510 7.016 9.238 199 HE1 TYR 26 HE1 TYR 26 11.158 6.259 7.807 200 HE2 TYR 26 HE2 TYR 26 7.815 5.195 10.247 201 HH TYR 26 HH TYR 26 11.175 4.941 9.865 202 H ASP 27 H ASP 27 8.514 11.684 5.268 203 HA ASP 27 HA ASP 27 5.894 12.941 5.001 204 HB2 ASP 27 2HB ASP 27 6.872 14.195 3.119 205 HB3 ASP 27 3HB ASP 27 7.920 14.292 4.522 206 H ILE 28 H ILE 28 4.460 11.309 4.533 207 HA ILE 28 HA ILE 28 4.966 9.591 2.170 208 HB ILE 28 HB ILE 28 2.858 9.208 4.339 209 HG12 ILE 28 2HG1 ILE 28 5.519 7.756 3.982 210 HG13 ILE 28 3HG1 ILE 28 5.132 8.888 5.273 211 HG21 ILE 28 1HG2 ILE 28 2.201 8.224 2.185 212 HG22 ILE 28 2HG2 ILE 28 2.555 6.952 3.357 213 HG23 ILE 28 3HG2 ILE 28 3.731 7.350 2.103 214 HD11 ILE 28 1HD1 ILE 28 3.876 6.178 4.826 215 HD12 ILE 28 2HD1 ILE 28 3.412 7.320 6.089 216 HD13 ILE 28 3HD1 ILE 28 5.030 6.625 6.083 217 H GLN 29 H GLN 29 3.815 10.018 0.321 218 HA GLN 29 HA GLN 29 1.703 11.970 0.263 219 HB2 GLN 29 2HB GLN 29 3.242 11.639 -1.681 220 HB3 GLN 29 3HB GLN 29 2.627 10.002 -1.889 221 HG2 GLN 29 2HG GLN 29 1.586 11.473 -3.524 222 HG3 GLN 29 3HG GLN 29 0.366 10.928 -2.370 223 HE21 GLN 29 1HE2 GLN 29 -1.039 12.645 -2.549 224 HE22 GLN 29 2HE2 GLN 29 -0.644 14.277 -2.135 225 H THR 30 H THR 30 -0.127 11.404 1.268 226 HA THR 30 HA THR 30 -1.244 8.684 1.039 227 HB THR 30 HB THR 30 -2.858 9.531 2.820 228 HG1 THR 30 HG1 THR 30 -2.048 11.870 2.173 229 HG21 THR 30 1HG2 THR 30 0.091 9.676 3.551 230 HG22 THR 30 2HG2 THR 30 -0.890 8.209 3.502 231 HG23 THR 30 3HG2 THR 30 -1.240 9.463 4.694 232 H SER 31 H SER 31 -3.064 8.305 -0.186 233 HA SER 31 HA SER 31 -4.628 10.477 -1.332 234 HB2 SER 31 2HB SER 31 -2.609 10.459 -2.772 235 HB3 SER 31 3HB SER 31 -2.831 8.741 -3.088 236 HG SER 31 HG SER 31 -4.411 10.924 -3.941 237 H ASN 32 H ASN 32 -6.491 9.766 -2.414 238 HA ASN 32 HA ASN 32 -7.259 6.915 -2.163 239 HB2 ASN 32 2HB ASN 32 -8.996 9.377 -2.643 240 HB3 ASN 32 3HB ASN 32 -9.600 7.732 -2.503 241 HD21 ASN 32 1HD2 ASN 32 -9.619 6.736 -0.450 242 HD22 ASN 32 2HD2 ASN 32 -9.484 7.661 1.000 243 H ASP 33 H ASP 33 -6.135 9.209 -4.355 244 HA ASP 33 HA ASP 33 -7.713 8.606 -6.687 245 HB2 ASP 33 2HB ASP 33 -5.059 10.095 -6.496 246 HB3 ASP 33 3HB ASP 33 -6.165 10.115 -7.867 247 H LYS 34 H LYS 34 -7.423 6.280 -6.735 248 HA LYS 34 HA LYS 34 -4.961 4.943 -6.868 249 HB2 LYS 34 2HB LYS 34 -6.216 2.989 -7.500 250 HB3 LYS 34 3HB LYS 34 -7.201 3.910 -6.372 251 HG2 LYS 34 2HG LYS 34 -8.405 4.877 -8.417 252 HG3 LYS 34 3HG LYS 34 -7.548 3.665 -9.371 253 HD2 LYS 34 2HD LYS 34 -9.671 2.710 -8.968 254 HD3 LYS 34 3HD LYS 34 -8.611 1.913 -7.809 255 HE2 LYS 34 2HE LYS 34 -10.500 4.213 -7.204 256 HE3 LYS 34 3HE LYS 34 -10.793 2.524 -6.815 257 HZ1 LYS 34 1HZ LYS 34 -8.785 4.348 -5.631 258 HZ2 LYS 34 2HZ LYS 34 -8.712 2.673 -5.433 259 HZ3 LYS 34 3HZ LYS 34 -10.047 3.529 -4.860 260 H LYS 35 H LYS 35 -6.874 6.500 -9.361 261 HA LYS 35 HA LYS 35 -5.682 5.289 -11.647 262 HB2 LYS 35 2HB LYS 35 -7.060 8.003 -11.489 263 HB3 LYS 35 3HB LYS 35 -6.813 7.039 -12.943 264 HG2 LYS 35 2HG LYS 35 -8.602 6.325 -10.594 265 HG3 LYS 35 3HG LYS 35 -9.141 6.930 -12.163 266 HD2 LYS 35 2HD LYS 35 -7.724 4.280 -11.671 267 HD3 LYS 35 3HD LYS 35 -9.455 4.489 -11.929 268 HE2 LYS 35 2HE LYS 35 -7.260 5.075 -13.952 269 HE3 LYS 35 3HE LYS 35 -8.390 3.720 -13.982 270 HZ1 LYS 35 1HZ LYS 35 -10.212 5.280 -14.258 271 HZ2 LYS 35 2HZ LYS 35 -9.076 5.470 -15.493 272 HZ3 LYS 35 3HZ LYS 35 -9.140 6.590 -14.228 273 H GLU 36 H GLU 36 -5.042 8.288 -9.835 274 HA GLU 36 HA GLU 36 -3.006 9.316 -11.524 275 HB2 GLU 36 2HB GLU 36 -4.190 10.721 -9.829 276 HB3 GLU 36 3HB GLU 36 -3.401 9.803 -8.546 277 HG2 GLU 36 2HG GLU 36 -1.168 10.552 -9.570 278 HG3 GLU 36 3HG GLU 36 -2.105 11.664 -10.562 279 H ILE 37 H ILE 37 -2.946 7.358 -8.555 280 HA ILE 37 HA ILE 37 -0.153 7.352 -8.166 281 HB ILE 37 HB ILE 37 -2.258 5.393 -7.162 282 HG12 ILE 37 2HG1 ILE 37 -2.854 7.610 -6.400 283 HG13 ILE 37 3HG1 ILE 37 -2.133 6.786 -5.030 284 HG21 ILE 37 1HG2 ILE 37 -0.691 4.835 -5.350 285 HG22 ILE 37 2HG2 ILE 37 0.531 5.877 -6.083 286 HG23 ILE 37 3HG2 ILE 37 -0.017 4.429 -6.930 287 HD11 ILE 37 1HD1 ILE 37 -1.392 9.050 -5.078 288 HD12 ILE 37 2HD1 ILE 37 -0.869 8.911 -6.754 289 HD13 ILE 37 3HD1 ILE 37 -0.017 8.022 -5.488 290 H ILE 38 H ILE 38 -2.283 5.020 -9.833 291 HA ILE 38 HA ILE 38 -0.455 3.082 -10.675 292 HB ILE 38 HB ILE 38 -2.975 4.198 -11.965 293 HG12 ILE 38 2HG1 ILE 38 -2.385 1.523 -10.624 294 HG13 ILE 38 3HG1 ILE 38 -3.298 2.854 -9.931 295 HG21 ILE 38 1HG2 ILE 38 -2.992 2.407 -13.640 296 HG22 ILE 38 2HG2 ILE 38 -1.415 1.852 -13.087 297 HG23 ILE 38 3HG2 ILE 38 -1.575 3.433 -13.845 298 HD11 ILE 38 1HD1 ILE 38 -4.110 1.177 -12.305 299 HD12 ILE 38 2HD1 ILE 38 -5.020 2.546 -11.660 300 HD13 ILE 38 3HD1 ILE 38 -4.775 1.105 -10.674 301 H ASP 39 H ASP 39 -1.228 6.239 -12.090 302 HA ASP 39 HA ASP 39 0.385 5.969 -14.430 303 HB2 ASP 39 2HB ASP 39 -1.632 7.454 -14.259 304 HB3 ASP 39 3HB ASP 39 -0.739 8.513 -13.180 305 H ARG 40 H ARG 40 0.977 7.180 -11.182 306 HA ARG 40 HA ARG 40 3.466 8.525 -11.774 307 HB2 ARG 40 2HB ARG 40 2.417 7.564 -9.079 308 HB3 ARG 40 3HB ARG 40 3.704 8.742 -9.337 309 HG2 ARG 40 2HG ARG 40 2.100 10.310 -10.320 310 HG3 ARG 40 3HG ARG 40 0.822 9.113 -10.181 311 HD2 ARG 40 2HD ARG 40 0.516 10.643 -8.387 312 HD3 ARG 40 3HD ARG 40 1.145 9.150 -7.689 313 HE ARG 40 HE ARG 40 3.389 10.609 -8.031 314 HH11 ARG 40 1HH1 ARG 40 0.295 11.415 -6.522 315 HH12 ARG 40 2HH1 ARG 40 1.009 12.535 -5.408 316 HH21 ARG 40 1HH2 ARG 40 4.267 12.121 -6.565 317 HH22 ARG 40 2HH2 ARG 40 3.238 12.933 -5.436 318 H LEU 41 H LEU 41 2.506 5.274 -10.731 319 HA LEU 41 HA LEU 41 5.071 4.139 -10.372 320 HB2 LEU 41 2HB LEU 41 2.479 2.879 -11.357 321 HB3 LEU 41 3HB LEU 41 3.912 1.954 -10.931 322 HG LEU 41 HG LEU 41 2.426 3.735 -8.955 323 HD11 LEU 41 1HD1 LEU 41 0.924 1.948 -9.689 324 HD12 LEU 41 2HD1 LEU 41 1.424 1.720 -8.014 325 HD13 LEU 41 3HD1 LEU 41 2.149 0.738 -9.291 326 HD21 LEU 41 1HD2 LEU 41 4.522 1.583 -8.522 327 HD22 LEU 41 2HD2 LEU 41 3.687 2.487 -7.254 328 HD23 LEU 41 3HD2 LEU 41 4.764 3.326 -8.365 329 H LYS 42 H LYS 42 3.011 4.541 -13.277 330 HA LYS 42 HA LYS 42 4.694 3.411 -15.234 331 HB2 LYS 42 2HB LYS 42 2.820 5.798 -15.557 332 HB3 LYS 42 3HB LYS 42 3.514 4.870 -16.882 333 HG2 LYS 42 2HG LYS 42 2.246 2.886 -16.190 334 HG3 LYS 42 3HG LYS 42 1.602 3.768 -14.798 335 HD2 LYS 42 2HD LYS 42 0.507 5.382 -16.367 336 HD3 LYS 42 3HD LYS 42 1.111 4.433 -17.729 337 HE2 LYS 42 2HE LYS 42 -0.764 3.373 -15.592 338 HE3 LYS 42 3HE LYS 42 -1.282 3.970 -17.167 339 HZ1 LYS 42 1HZ LYS 42 0.046 2.222 -18.210 340 HZ2 LYS 42 2HZ LYS 42 -1.124 1.580 -17.170 341 HZ3 LYS 42 3HZ LYS 42 0.495 1.636 -16.688 342 H ARG 43 H ARG 43 4.710 6.613 -13.757 343 HA ARG 43 HA ARG 43 6.698 7.753 -15.526 344 HB2 ARG 43 2HB ARG 43 5.486 8.771 -12.937 345 HB3 ARG 43 3HB ARG 43 6.588 9.705 -13.947 346 HG2 ARG 43 2HG ARG 43 4.938 9.658 -15.776 347 HG3 ARG 43 3HG ARG 43 3.832 8.736 -14.754 348 HD2 ARG 43 2HD ARG 43 3.824 10.625 -13.124 349 HD3 ARG 43 3HD ARG 43 4.861 11.545 -14.222 350 HE ARG 43 HE ARG 43 2.385 10.595 -15.372 351 HH11 ARG 43 1HH1 ARG 43 3.934 13.275 -13.704 352 HH12 ARG 43 2HH1 ARG 43 2.764 14.436 -14.242 353 HH21 ARG 43 1HH2 ARG 43 0.870 12.102 -16.057 354 HH22 ARG 43 2HH2 ARG 43 1.015 13.765 -15.587 355 H ARG 44 H ARG 44 6.959 5.629 -12.920 356 HA ARG 44 HA ARG 44 8.583 4.952 -11.509 357 HB2 ARG 44 2HB ARG 44 10.209 6.358 -13.602 358 HB3 ARG 44 3HB ARG 44 11.031 5.976 -12.100 359 HG2 ARG 44 2HG ARG 44 9.672 3.969 -13.928 360 HG3 ARG 44 3HG ARG 44 11.414 4.257 -13.800 361 HD2 ARG 44 2HD ARG 44 9.561 3.083 -11.701 362 HD3 ARG 44 3HD ARG 44 10.950 2.319 -12.482 363 HE ARG 44 HE ARG 44 11.900 4.584 -11.150 364 HH11 ARG 44 1HH1 ARG 44 10.481 1.481 -10.251 365 HH12 ARG 44 2HH1 ARG 44 11.260 1.454 -8.705 366 HH21 ARG 44 1HH2 ARG 44 12.840 4.541 -9.118 367 HH22 ARG 44 2HH2 ARG 44 12.594 3.190 -8.066 368 H ASN 45 H ASN 45 7.140 7.580 -11.162 369 HA ASN 45 HA ASN 45 8.816 9.372 -9.692 370 HB2 ASN 45 2HB ASN 45 5.822 9.147 -10.135 371 HB3 ASN 45 3HB ASN 45 6.470 10.327 -9.004 372 HD21 ASN 45 1HD2 ASN 45 8.318 9.592 -11.900 373 HD22 ASN 45 2HD2 ASN 45 7.943 11.062 -12.716 374 H ILE 46 H ILE 46 7.130 6.482 -8.857 375 HA ILE 46 HA ILE 46 7.257 7.039 -5.949 376 HB ILE 46 HB ILE 46 5.754 4.795 -7.379 377 HG12 ILE 46 2HG1 ILE 46 4.671 7.409 -6.239 378 HG13 ILE 46 3HG1 ILE 46 4.799 7.017 -7.950 379 HG21 ILE 46 1HG2 ILE 46 5.605 5.716 -4.482 380 HG22 ILE 46 2HG2 ILE 46 6.367 4.230 -5.054 381 HG23 ILE 46 3HG2 ILE 46 4.622 4.440 -5.210 382 HD11 ILE 46 1HD1 ILE 46 3.005 5.642 -5.939 383 HD12 ILE 46 2HD1 ILE 46 3.147 5.226 -7.650 384 HD13 ILE 46 3HD1 ILE 46 2.522 6.802 -7.176 385 H ASP 47 H ASP 47 8.883 6.096 -4.814 386 HA ASP 47 HA ASP 47 10.564 4.011 -5.988 387 HB2 ASP 47 2HB ASP 47 11.723 5.710 -4.702 388 HB3 ASP 47 3HB ASP 47 10.669 5.463 -3.315 389 H MET 48 H MET 48 8.337 4.377 -3.272 390 HA MET 48 HA MET 48 7.861 1.493 -3.153 391 HB2 MET 48 2HB MET 48 8.234 1.424 -0.699 392 HB3 MET 48 3HB MET 48 9.708 1.796 -1.577 393 HG2 MET 48 2HG MET 48 9.234 4.248 -1.032 394 HG3 MET 48 3HG MET 48 8.027 3.650 0.106 395 HE1 MET 48 1HE MET 48 9.735 0.858 1.035 396 HE2 MET 48 2HE MET 48 8.720 1.848 2.083 397 HE3 MET 48 3HE MET 48 10.389 1.515 2.536 398 H ILE 49 H ILE 49 5.834 0.982 -2.369 399 HA ILE 49 HA ILE 49 3.943 3.157 -1.815 400 HB ILE 49 HB ILE 49 3.892 2.962 -4.248 401 HG12 ILE 49 2HG1 ILE 49 1.449 1.622 -3.004 402 HG13 ILE 49 3HG1 ILE 49 1.709 3.351 -3.194 403 HG21 ILE 49 1HG2 ILE 49 3.371 -0.005 -3.912 404 HG22 ILE 49 2HG2 ILE 49 4.873 0.726 -4.483 405 HG23 ILE 49 3HG2 ILE 49 3.399 0.880 -5.441 406 HD11 ILE 49 1HD1 ILE 49 0.147 2.548 -4.833 407 HD12 ILE 49 2HD1 ILE 49 1.300 1.345 -5.411 408 HD13 ILE 49 3HD1 ILE 49 1.627 3.066 -5.641 409 H ILE 50 H ILE 50 2.250 2.543 -0.563 410 HA ILE 50 HA ILE 50 1.932 -0.299 0.207 411 HB ILE 50 HB ILE 50 1.811 2.105 2.100 412 HG12 ILE 50 2HG1 ILE 50 3.905 -0.114 1.919 413 HG13 ILE 50 3HG1 ILE 50 4.144 1.552 1.415 414 HG21 ILE 50 1HG2 ILE 50 1.494 -0.859 2.691 415 HG22 ILE 50 2HG2 ILE 50 0.218 0.358 2.749 416 HG23 ILE 50 3HG2 ILE 50 1.549 0.424 3.905 417 HD11 ILE 50 1HD1 ILE 50 3.878 2.273 3.748 418 HD12 ILE 50 2HD1 ILE 50 5.210 1.141 3.525 419 HD13 ILE 50 3HD1 ILE 50 3.695 0.584 4.235 420 H VAL 51 H VAL 51 -0.092 -0.931 -0.320 421 HA VAL 51 HA VAL 51 -2.210 1.096 -0.721 422 HB VAL 51 HB VAL 51 -1.977 -1.651 -2.016 423 HG11 VAL 51 1HG1 VAL 51 -3.917 0.610 -2.619 424 HG12 VAL 51 2HG1 VAL 51 -4.325 -0.908 -1.819 425 HG13 VAL 51 3HG1 VAL 51 -3.808 -0.916 -3.506 426 HG21 VAL 51 1HG2 VAL 51 -1.413 1.078 -3.225 427 HG22 VAL 51 2HG2 VAL 51 -1.408 -0.453 -4.103 428 HG23 VAL 51 3HG2 VAL 51 -0.208 -0.155 -2.843 429 H LYS 52 H LYS 52 -3.865 1.048 0.717 430 HA LYS 52 HA LYS 52 -4.655 -1.526 1.950 431 HB2 LYS 52 2HB LYS 52 -3.882 0.035 3.670 432 HB3 LYS 52 3HB LYS 52 -4.942 1.295 3.053 433 HG2 LYS 52 2HG LYS 52 -5.861 0.319 5.100 434 HG3 LYS 52 3HG LYS 52 -6.927 0.002 3.730 435 HD2 LYS 52 2HD LYS 52 -6.032 -2.302 3.571 436 HD3 LYS 52 3HD LYS 52 -4.950 -1.977 4.931 437 HE2 LYS 52 2HE LYS 52 -6.953 -3.247 5.627 438 HE3 LYS 52 3HE LYS 52 -6.874 -1.675 6.419 439 HZ1 LYS 52 1HZ LYS 52 -9.098 -2.356 5.556 440 HZ2 LYS 52 2HZ LYS 52 -8.495 -2.167 3.990 441 HZ3 LYS 52 3HZ LYS 52 -8.572 -0.840 5.032 442 H THR 53 H THR 53 -6.254 -2.273 0.721 443 HA THR 53 HA THR 53 -8.821 -1.038 0.806 444 HB THR 53 HB THR 53 -8.034 0.193 -1.183 445 HG1 THR 53 HG1 THR 53 -10.160 -0.274 -1.382 446 HG21 THR 53 1HG2 THR 53 -7.418 -0.938 -3.282 447 HG22 THR 53 2HG2 THR 53 -7.538 -2.503 -2.476 448 HG23 THR 53 3HG2 THR 53 -6.290 -1.356 -1.987 449 H GLU 54 H GLU 54 -10.485 -2.562 0.237 450 HA GLU 54 HA GLU 54 -9.608 -5.372 0.320 451 HB2 GLU 54 2HB GLU 54 -12.270 -4.017 0.870 452 HB3 GLU 54 3HB GLU 54 -12.152 -5.760 0.680 453 HG2 GLU 54 2HG GLU 54 -12.158 -5.259 3.031 454 HG3 GLU 54 3HG GLU 54 -10.558 -5.846 2.587 455 H ASP 55 H ASP 55 -10.166 -3.212 -2.076 456 HA ASP 55 HA ASP 55 -11.656 -4.950 -3.885 457 HB2 ASP 55 2HB ASP 55 -11.836 -2.391 -3.833 458 HB3 ASP 55 3HB ASP 55 -10.235 -2.346 -4.554 459 H LYS 56 H LYS 56 -10.388 -6.761 -4.087 460 HA LYS 56 HA LYS 56 -7.570 -6.841 -4.245 461 HB2 LYS 56 2HB LYS 56 -7.893 -9.254 -4.889 462 HB3 LYS 56 3HB LYS 56 -8.777 -8.772 -3.446 463 HG2 LYS 56 2HG LYS 56 -10.829 -8.503 -4.915 464 HG3 LYS 56 3HG LYS 56 -9.901 -9.251 -6.219 465 HD2 LYS 56 2HD LYS 56 -9.655 -11.307 -4.909 466 HD3 LYS 56 3HD LYS 56 -10.446 -10.552 -3.520 467 HE2 LYS 56 2HE LYS 56 -11.728 -11.163 -6.205 468 HE3 LYS 56 3HE LYS 56 -12.022 -12.018 -4.691 469 HZ1 LYS 56 1HZ LYS 56 -12.924 -9.935 -3.775 470 HZ2 LYS 56 2HZ LYS 56 -13.788 -10.474 -5.120 471 HZ3 LYS 56 3HZ LYS 56 -12.712 -9.181 -5.275 472 H GLU 57 H GLU 57 -9.991 -6.422 -6.722 473 HA GLU 57 HA GLU 57 -8.462 -7.175 -8.998 474 HB2 GLU 57 2HB GLU 57 -10.791 -5.213 -8.825 475 HB3 GLU 57 3HB GLU 57 -10.141 -5.902 -10.314 476 HG2 GLU 57 2HG GLU 57 -10.756 -8.183 -9.432 477 HG3 GLU 57 3HG GLU 57 -11.568 -7.383 -8.083 478 H SER 58 H SER 58 -9.073 -4.024 -7.424 479 HA SER 58 HA SER 58 -7.539 -2.468 -9.257 480 HB2 SER 58 2HB SER 58 -7.800 -0.630 -7.634 481 HB3 SER 58 3HB SER 58 -9.332 -1.479 -7.840 482 HG SER 58 HG SER 58 -8.993 -2.507 -5.885 483 H ILE 59 H ILE 59 -6.853 -3.961 -6.113 484 HA ILE 59 HA ILE 59 -4.284 -3.059 -5.547 485 HB ILE 59 HB ILE 59 -5.463 -5.843 -5.110 486 HG12 ILE 59 2HG1 ILE 59 -5.150 -3.532 -3.141 487 HG13 ILE 59 3HG1 ILE 59 -6.656 -4.014 -3.913 488 HG21 ILE 59 1HG2 ILE 59 -3.685 -6.222 -3.431 489 HG22 ILE 59 2HG2 ILE 59 -2.931 -4.697 -3.896 490 HG23 ILE 59 3HG2 ILE 59 -3.029 -6.024 -5.053 491 HD11 ILE 59 1HD1 ILE 59 -5.054 -5.657 -1.944 492 HD12 ILE 59 2HD1 ILE 59 -6.529 -6.191 -2.754 493 HD13 ILE 59 3HD1 ILE 59 -6.578 -4.824 -1.645 494 H SER 60 H SER 60 -5.239 -5.895 -7.475 495 HA SER 60 HA SER 60 -2.693 -6.849 -8.134 496 HB2 SER 60 2HB SER 60 -4.769 -8.177 -8.296 497 HB3 SER 60 3HB SER 60 -5.325 -7.175 -9.635 498 HG SER 60 HG SER 60 -3.388 -9.177 -9.573 499 H GLU 61 H GLU 61 -4.646 -4.319 -9.669 500 HA GLU 61 HA GLU 61 -3.126 -4.116 -12.085 501 HB2 GLU 61 2HB GLU 61 -4.866 -1.992 -10.771 502 HB3 GLU 61 3HB GLU 61 -4.310 -1.986 -12.444 503 HG2 GLU 61 2HG GLU 61 -6.306 -3.878 -11.161 504 HG3 GLU 61 3HG GLU 61 -6.624 -2.659 -12.392 505 H ILE 62 H ILE 62 -3.067 -2.316 -8.982 506 HA ILE 62 HA ILE 62 -0.953 -0.557 -9.521 507 HB ILE 62 HB ILE 62 -1.992 -1.753 -6.937 508 HG12 ILE 62 2HG1 ILE 62 -2.274 0.737 -6.349 509 HG13 ILE 62 3HG1 ILE 62 -1.817 1.104 -8.009 510 HG21 ILE 62 1HG2 ILE 62 0.390 -1.735 -6.500 511 HG22 ILE 62 2HG2 ILE 62 -0.355 -0.415 -5.606 512 HG23 ILE 62 3HG2 ILE 62 0.532 -0.078 -7.091 513 HD11 ILE 62 1HD1 ILE 62 -4.193 1.187 -7.700 514 HD12 ILE 62 2HD1 ILE 62 -4.211 -0.483 -7.131 515 HD13 ILE 62 3HD1 ILE 62 -3.761 -0.121 -8.800 516 H ILE 63 H ILE 63 -0.877 -3.913 -8.269 517 HA ILE 63 HA ILE 63 1.896 -4.092 -7.808 518 HB ILE 63 HB ILE 63 0.020 -6.393 -8.499 519 HG12 ILE 63 2HG1 ILE 63 0.801 -5.330 -5.745 520 HG13 ILE 63 3HG1 ILE 63 -0.744 -5.023 -6.530 521 HG21 ILE 63 1HG2 ILE 63 1.665 -7.822 -7.293 522 HG22 ILE 63 2HG2 ILE 63 2.717 -6.419 -7.078 523 HG23 ILE 63 3HG2 ILE 63 2.393 -7.043 -8.698 524 HD11 ILE 63 1HD1 ILE 63 0.301 -7.730 -5.699 525 HD12 ILE 63 2HD1 ILE 63 -1.252 -7.408 -6.477 526 HD13 ILE 63 3HD1 ILE 63 -0.922 -6.771 -4.868 527 H LYS 64 H LYS 64 -0.027 -4.879 -10.734 528 HA LYS 64 HA LYS 64 1.982 -5.890 -12.400 529 HB2 LYS 64 2HB LYS 64 -0.415 -4.144 -13.119 530 HB3 LYS 64 3HB LYS 64 0.596 -4.949 -14.318 531 HG2 LYS 64 2HG LYS 64 -0.063 -7.133 -13.464 532 HG3 LYS 64 3HG LYS 64 -0.993 -6.379 -12.168 533 HD2 LYS 64 2HD LYS 64 -2.480 -5.332 -13.887 534 HD3 LYS 64 3HD LYS 64 -1.571 -6.167 -15.152 535 HE2 LYS 64 2HE LYS 64 -3.638 -7.382 -14.634 536 HE3 LYS 64 3HE LYS 64 -2.230 -8.342 -14.169 537 HZ1 LYS 64 1HZ LYS 64 -3.862 -6.687 -12.325 538 HZ2 LYS 64 2HZ LYS 64 -2.545 -7.652 -11.881 539 HZ3 LYS 64 3HZ LYS 64 -3.959 -8.367 -12.472 540 H GLN 65 H GLN 65 1.001 -2.546 -11.765 541 HA GLN 65 HA GLN 65 2.957 -1.349 -13.481 542 HB2 GLN 65 2HB GLN 65 1.276 -0.141 -11.258 543 HB3 GLN 65 3HB GLN 65 2.257 0.787 -12.388 544 HG2 GLN 65 2HG GLN 65 -0.267 -0.781 -12.939 545 HG3 GLN 65 3HG GLN 65 0.056 0.924 -13.232 546 HE21 GLN 65 1HE2 GLN 65 1.660 1.416 -14.912 547 HE22 GLN 65 2HE2 GLN 65 1.786 0.373 -16.286 548 H VAL 66 H VAL 66 3.037 -2.375 -10.115 549 HA VAL 66 HA VAL 66 5.452 -0.974 -9.424 550 HB VAL 66 HB VAL 66 4.061 -3.339 -8.098 551 HG11 VAL 66 1HG1 VAL 66 6.465 -3.373 -7.529 552 HG12 VAL 66 2HG1 VAL 66 5.498 -2.925 -6.132 553 HG13 VAL 66 3HG1 VAL 66 6.371 -1.685 -7.023 554 HG21 VAL 66 1HG2 VAL 66 4.135 -0.399 -7.325 555 HG22 VAL 66 2HG2 VAL 66 3.328 -1.678 -6.415 556 HG23 VAL 66 3HG2 VAL 66 2.755 -1.247 -8.026 557 H LEU 67 H LEU 67 4.677 -4.156 -10.779 558 HA LEU 67 HA LEU 67 7.336 -5.218 -10.659 559 HB2 LEU 67 2HB LEU 67 5.040 -6.011 -12.498 560 HB3 LEU 67 3HB LEU 67 6.514 -6.936 -12.251 561 HG LEU 67 HG LEU 67 4.312 -6.449 -10.210 562 HD11 LEU 67 1HD1 LEU 67 3.703 -8.094 -11.879 563 HD12 LEU 67 2HD1 LEU 67 3.964 -8.869 -10.319 564 HD13 LEU 67 3HD1 LEU 67 5.193 -8.994 -11.581 565 HD21 LEU 67 1HD2 LEU 67 6.928 -7.936 -9.818 566 HD22 LEU 67 2HD2 LEU 67 5.574 -7.926 -8.686 567 HD23 LEU 67 3HD2 LEU 67 6.439 -6.433 -9.030 568 H ASP 68 H ASP 68 5.418 -3.471 -13.049 569 HA ASP 68 HA ASP 68 7.220 -3.426 -15.204 570 HB2 ASP 68 2HB ASP 68 4.825 -2.898 -15.429 571 HB3 ASP 68 3HB ASP 68 5.011 -1.474 -14.417 572 H SER 69 H SER 69 6.814 -1.239 -12.429 573 HA SER 69 HA SER 69 8.838 0.633 -13.334 574 HB2 SER 69 2HB SER 69 8.381 1.755 -11.149 575 HB3 SER 69 3HB SER 69 6.906 1.462 -12.071 576 HG SER 69 HG SER 69 6.256 0.533 -10.318 577 H GLY 70 H GLY 70 8.661 -2.152 -11.238 578 HA2 GLY 70 2HA GLY 70 10.242 -3.318 -10.041 579 HA3 GLY 70 3HA GLY 70 11.486 -2.258 -10.690 580 H ALA 71 H ALA 71 8.598 -1.311 -8.905 581 HA ALA 71 HA ALA 71 10.165 0.084 -6.875 582 HB1 ALA 71 1HB ALA 71 7.998 1.013 -6.168 583 HB2 ALA 71 2HB ALA 71 7.164 -0.047 -7.310 584 HB3 ALA 71 3HB ALA 71 8.239 1.217 -7.907 585 H LYS 72 H LYS 72 9.200 -0.068 -4.575 586 HA LYS 72 HA LYS 72 8.987 -2.889 -3.724 587 HB2 LYS 72 2HB LYS 72 9.776 -0.313 -2.308 588 HB3 LYS 72 3HB LYS 72 9.298 -1.720 -1.376 589 HG2 LYS 72 2HG LYS 72 11.751 -1.483 -1.534 590 HG3 LYS 72 3HG LYS 72 11.173 -3.000 -2.216 591 HD2 LYS 72 2HD LYS 72 12.967 -2.045 -3.587 592 HD3 LYS 72 3HD LYS 72 11.458 -2.103 -4.494 593 HE2 LYS 72 2HE LYS 72 12.528 -0.006 -4.970 594 HE3 LYS 72 3HE LYS 72 11.132 0.341 -3.957 595 HZ1 LYS 72 1HZ LYS 72 12.922 1.635 -3.174 596 HZ2 LYS 72 2HZ LYS 72 13.985 0.320 -3.176 597 HZ3 LYS 72 3HZ LYS 72 12.732 0.385 -2.047 598 H VAL 73 H VAL 73 7.040 -3.654 -2.807 599 HA VAL 73 HA VAL 73 4.882 -1.684 -2.362 600 HB VAL 73 HB VAL 73 4.618 -2.543 -4.642 601 HG11 VAL 73 1HG1 VAL 73 4.346 -5.319 -3.436 602 HG12 VAL 73 2HG1 VAL 73 5.677 -4.741 -4.444 603 HG13 VAL 73 3HG1 VAL 73 4.057 -4.891 -5.125 604 HG21 VAL 73 1HG2 VAL 73 2.598 -1.900 -3.417 605 HG22 VAL 73 2HG2 VAL 73 2.421 -3.543 -2.794 606 HG23 VAL 73 3HG2 VAL 73 2.252 -3.231 -4.524 607 H LEU 74 H LEU 74 3.597 -2.029 -0.705 608 HA LEU 74 HA LEU 74 3.497 -4.649 0.658 609 HB2 LEU 74 2HB LEU 74 4.589 -2.958 2.076 610 HB3 LEU 74 3HB LEU 74 3.250 -1.852 1.841 611 HG LEU 74 HG LEU 74 1.746 -3.399 3.089 612 HD11 LEU 74 1HD1 LEU 74 4.222 -5.079 3.525 613 HD12 LEU 74 2HD1 LEU 74 2.801 -5.519 2.575 614 HD13 LEU 74 3HD1 LEU 74 2.659 -5.312 4.317 615 HD21 LEU 74 1HD2 LEU 74 2.883 -1.614 4.316 616 HD22 LEU 74 2HD2 LEU 74 4.248 -2.686 4.643 617 HD23 LEU 74 3HD2 LEU 74 2.658 -3.039 5.327 618 H ILE 75 H ILE 75 1.505 -5.544 0.566 619 HA ILE 75 HA ILE 75 -0.828 -3.842 -0.080 620 HB ILE 75 HB ILE 75 -0.391 -6.805 -0.572 621 HG12 ILE 75 2HG1 ILE 75 0.836 -5.498 -2.206 622 HG13 ILE 75 3HG1 ILE 75 -0.580 -6.167 -3.003 623 HG21 ILE 75 1HG2 ILE 75 -2.591 -6.826 -1.708 624 HG22 ILE 75 2HG2 ILE 75 -2.863 -5.161 -1.185 625 HG23 ILE 75 3HG2 ILE 75 -2.735 -6.451 0.012 626 HD11 ILE 75 1HD1 ILE 75 -0.190 -3.323 -2.085 627 HD12 ILE 75 2HD1 ILE 75 -1.692 -3.959 -2.764 628 HD13 ILE 75 3HD1 ILE 75 -0.222 -3.929 -3.738 629 H LEU 76 H LEU 76 -2.338 -3.640 1.387 630 HA LEU 76 HA LEU 76 -2.527 -5.465 3.699 631 HB2 LEU 76 2HB LEU 76 -2.846 -2.424 3.713 632 HB3 LEU 76 3HB LEU 76 -2.996 -3.483 5.108 633 HG LEU 76 HG LEU 76 -0.414 -3.007 3.551 634 HD11 LEU 76 1HD1 LEU 76 -1.201 -1.936 6.269 635 HD12 LEU 76 2HD1 LEU 76 -1.068 -1.001 4.779 636 HD13 LEU 76 3HD1 LEU 76 0.369 -1.741 5.480 637 HD21 LEU 76 1HD2 LEU 76 0.686 -4.210 5.394 638 HD22 LEU 76 2HD2 LEU 76 -0.467 -5.232 4.542 639 HD23 LEU 76 3HD2 LEU 76 -0.891 -4.553 6.116 640 H SER 77 H SER 77 -4.582 -6.217 3.999 641 HA SER 77 HA SER 77 -6.895 -4.597 3.274 642 HB2 SER 77 2HB SER 77 -7.995 -6.390 1.969 643 HB3 SER 77 3HB SER 77 -6.481 -5.911 1.202 644 HG SER 77 HG SER 77 -5.782 -7.861 1.453 645 H SER 78 H SER 78 -8.870 -5.428 4.188 646 HA SER 78 HA SER 78 -8.433 -6.418 6.869 647 HB2 SER 78 2HB SER 78 -10.987 -5.485 5.487 648 HB3 SER 78 3HB SER 78 -10.784 -5.749 7.224 649 HG SER 78 HG SER 78 -10.292 -3.696 7.151 650 H ASP 79 H ASP 79 -8.473 -8.227 4.271 651 HA ASP 79 HA ASP 79 -10.007 -10.417 5.489 652 HB2 ASP 79 2HB ASP 79 -11.489 -9.402 3.788 653 HB3 ASP 79 3HB ASP 79 -10.238 -9.586 2.564 654 H GLU 80 H GLU 80 -8.915 -12.231 5.536 655 HA GLU 80 HA GLU 80 -6.195 -12.411 4.872 656 HB2 GLU 80 2HB GLU 80 -7.428 -13.561 6.772 657 HB3 GLU 80 3HB GLU 80 -8.098 -14.674 5.590 658 HG2 GLU 80 2HG GLU 80 -6.279 -15.792 6.634 659 HG3 GLU 80 3HG GLU 80 -5.740 -15.364 5.013 660 H ASN 81 H ASN 81 -9.091 -13.530 3.107 661 HA ASN 81 HA ASN 81 -7.690 -15.408 1.414 662 HB2 ASN 81 2HB ASN 81 -10.450 -14.180 0.979 663 HB3 ASN 81 3HB ASN 81 -9.804 -15.606 0.169 664 HD21 ASN 81 1HD2 ASN 81 -11.178 -14.343 3.095 665 HD22 ASN 81 2HD2 ASN 81 -11.452 -15.870 3.864 666 H ILE 82 H ILE 82 -8.654 -12.016 1.235 667 HA ILE 82 HA ILE 82 -7.937 -11.510 -1.469 668 HB ILE 82 HB ILE 82 -8.049 -9.641 0.939 669 HG12 ILE 82 2HG1 ILE 82 -10.014 -10.012 -1.368 670 HG13 ILE 82 3HG1 ILE 82 -10.222 -10.672 0.250 671 HG21 ILE 82 1HG2 ILE 82 -7.720 -8.880 -1.988 672 HG22 ILE 82 2HG2 ILE 82 -6.528 -8.652 -0.710 673 HG23 ILE 82 3HG2 ILE 82 -8.038 -7.745 -0.674 674 HD11 ILE 82 1HD1 ILE 82 -11.583 -8.711 -0.054 675 HD12 ILE 82 2HD1 ILE 82 -10.173 -7.749 -0.492 676 HD13 ILE 82 3HD1 ILE 82 -10.334 -8.386 1.147 677 H ILE 83 H ILE 83 -6.157 -11.106 1.620 678 HA ILE 83 HA ILE 83 -3.641 -10.395 0.616 679 HB ILE 83 HB ILE 83 -4.431 -11.968 3.095 680 HG12 ILE 83 2HG1 ILE 83 -5.188 -9.617 3.037 681 HG13 ILE 83 3HG1 ILE 83 -3.971 -9.835 4.285 682 HG21 ILE 83 1HG2 ILE 83 -2.173 -11.577 4.035 683 HG22 ILE 83 2HG2 ILE 83 -1.642 -10.945 2.475 684 HG23 ILE 83 3HG2 ILE 83 -2.131 -12.633 2.623 685 HD11 ILE 83 1HD1 ILE 83 -3.528 -8.589 1.571 686 HD12 ILE 83 2HD1 ILE 83 -2.287 -8.816 2.808 687 HD13 ILE 83 3HD1 ILE 83 -3.656 -7.747 3.114 688 H GLU 84 H GLU 84 -5.068 -13.622 1.010 689 HA GLU 84 HA GLU 84 -2.827 -15.155 0.232 690 HB2 GLU 84 2HB GLU 84 -4.765 -16.140 1.418 691 HB3 GLU 84 3HB GLU 84 -5.772 -15.888 -0.006 692 HG2 GLU 84 2HG GLU 84 -4.306 -17.431 -1.298 693 HG3 GLU 84 3HG GLU 84 -3.336 -17.700 0.150 694 H SER 85 H SER 85 -5.643 -13.971 -1.710 695 HA SER 85 HA SER 85 -4.922 -15.232 -4.116 696 HB2 SER 85 2HB SER 85 -6.470 -13.560 -5.199 697 HB3 SER 85 3HB SER 85 -7.182 -14.420 -3.837 698 HG SER 85 HG SER 85 -5.984 -11.864 -3.583 699 H ILE 86 H ILE 86 -4.101 -12.095 -2.784 700 HA ILE 86 HA ILE 86 -2.687 -11.059 -5.000 701 HB ILE 86 HB ILE 86 -2.629 -10.423 -2.025 702 HG12 ILE 86 2HG1 ILE 86 -4.764 -9.843 -2.964 703 HG13 ILE 86 3HG1 ILE 86 -3.889 -8.330 -2.807 704 HG21 ILE 86 1HG2 ILE 86 -1.477 -8.300 -2.561 705 HG22 ILE 86 2HG2 ILE 86 -1.249 -8.871 -4.214 706 HG23 ILE 86 3HG2 ILE 86 -0.478 -9.720 -2.876 707 HD11 ILE 86 1HD1 ILE 86 -4.360 -9.891 -5.347 708 HD12 ILE 86 2HD1 ILE 86 -3.384 -8.423 -5.234 709 HD13 ILE 86 3HD1 ILE 86 -5.107 -8.369 -4.866 710 H ARG 87 H ARG 87 -1.701 -13.080 -2.241 711 HA ARG 87 HA ARG 87 1.104 -13.009 -2.927 712 HB2 ARG 87 2HB ARG 87 -0.433 -14.626 -0.875 713 HB3 ARG 87 3HB ARG 87 1.295 -14.844 -1.149 714 HG2 ARG 87 2HG ARG 87 1.538 -12.343 -0.675 715 HG3 ARG 87 3HG ARG 87 -0.127 -12.391 -0.089 716 HD2 ARG 87 2HD ARG 87 2.126 -14.124 0.985 717 HD3 ARG 87 3HD ARG 87 1.629 -12.589 1.703 718 HE ARG 87 HE ARG 87 -0.478 -14.575 1.431 719 HH11 ARG 87 1HH1 ARG 87 2.000 -13.252 3.577 720 HH12 ARG 87 2HH1 ARG 87 1.245 -13.869 5.009 721 HH21 ARG 87 1HH2 ARG 87 -1.407 -15.400 3.329 722 HH22 ARG 87 2HH2 ARG 87 -0.679 -15.085 4.866 723 H LYS 88 H LYS 88 -1.559 -15.121 -3.891 724 HA LYS 88 HA LYS 88 0.367 -17.164 -4.818 725 HB2 LYS 88 2HB LYS 88 -1.574 -18.615 -5.305 726 HB3 LYS 88 3HB LYS 88 -1.504 -18.101 -3.626 727 HG2 LYS 88 2HG LYS 88 -3.257 -16.373 -4.160 728 HG3 LYS 88 3HG LYS 88 -3.400 -17.094 -5.767 729 HD2 LYS 88 2HD LYS 88 -4.099 -19.242 -4.777 730 HD3 LYS 88 3HD LYS 88 -3.837 -18.608 -3.151 731 HE2 LYS 88 2HE LYS 88 -5.644 -16.919 -3.589 732 HE3 LYS 88 3HE LYS 88 -5.952 -17.713 -5.135 733 HZ1 LYS 88 1HZ LYS 88 -6.143 -19.045 -2.486 734 HZ2 LYS 88 2HZ LYS 88 -6.567 -19.702 -3.983 735 HZ3 LYS 88 3HZ LYS 88 -7.457 -18.417 -3.344 736 H GLN 89 H GLN 89 -1.693 -14.626 -6.128 737 HA GLN 89 HA GLN 89 -1.095 -15.201 -8.868 738 HB2 GLN 89 2HB GLN 89 -1.761 -12.582 -7.456 739 HB3 GLN 89 3HB GLN 89 -1.528 -12.700 -9.196 740 HG2 GLN 89 2HG GLN 89 -3.455 -14.229 -9.345 741 HG3 GLN 89 3HG GLN 89 -3.695 -14.106 -7.601 742 HE21 GLN 89 1HE2 GLN 89 -5.766 -13.213 -7.797 743 HE22 GLN 89 2HE2 GLN 89 -6.045 -11.614 -8.383 744 H TYR 90 H TYR 90 0.355 -13.076 -6.412 745 HA TYR 90 HA TYR 90 2.890 -12.916 -7.957 746 HB2 TYR 90 2HB TYR 90 1.755 -10.792 -6.081 747 HB3 TYR 90 3HB TYR 90 3.168 -10.637 -7.119 748 HD1 TYR 90 HD1 TYR 90 2.812 -10.621 -9.674 749 HD2 TYR 90 HD2 TYR 90 -0.432 -10.205 -6.912 750 HE1 TYR 90 HE1 TYR 90 1.405 -9.685 -11.456 751 HE2 TYR 90 HE2 TYR 90 -1.840 -9.270 -8.701 752 HH TYR 90 HH TYR 90 -0.933 -9.420 -12.010 753 HA PRO 91 HA PRO 91 3.794 -15.120 -3.982 754 HB2 PRO 91 2HB PRO 91 6.104 -16.387 -4.786 755 HB3 PRO 91 3HB PRO 91 4.484 -16.966 -5.223 756 HG2 PRO 91 2HG PRO 91 6.389 -15.311 -6.863 757 HG3 PRO 91 3HG PRO 91 5.425 -16.729 -7.344 758 HD2 PRO 91 2HD PRO 91 4.621 -14.198 -7.922 759 HD3 PRO 91 3HD PRO 91 3.456 -15.495 -7.569 760 H LYS 92 H LYS 92 5.674 -12.752 -5.640 761 HA LYS 92 HA LYS 92 7.668 -12.552 -3.482 762 HB2 LYS 92 2HB LYS 92 7.594 -11.419 -6.293 763 HB3 LYS 92 3HB LYS 92 8.869 -11.057 -5.128 764 HG2 LYS 92 2HG LYS 92 9.420 -13.479 -5.002 765 HG3 LYS 92 3HG LYS 92 8.190 -13.813 -6.228 766 HD2 LYS 92 2HD LYS 92 10.644 -12.041 -6.620 767 HD3 LYS 92 3HD LYS 92 10.501 -13.711 -7.174 768 HE2 LYS 92 2HE LYS 92 8.682 -13.078 -8.689 769 HE3 LYS 92 3HE LYS 92 8.721 -11.421 -8.088 770 HZ1 LYS 92 1HZ LYS 92 10.948 -11.192 -8.960 771 HZ2 LYS 92 2HZ LYS 92 9.872 -11.635 -10.182 772 HZ3 LYS 92 3HZ LYS 92 10.932 -12.782 -9.534 773 H VAL 93 H VAL 93 4.699 -11.201 -3.939 774 HA VAL 93 HA VAL 93 5.353 -8.442 -3.309 775 HB VAL 93 HB VAL 93 3.280 -9.041 -4.591 776 HG11 VAL 93 1HG1 VAL 93 2.637 -11.094 -3.367 777 HG12 VAL 93 2HG1 VAL 93 1.300 -9.953 -3.479 778 HG13 VAL 93 3HG1 VAL 93 2.192 -10.121 -1.966 779 HG21 VAL 93 1HG2 VAL 93 2.716 -7.560 -1.995 780 HG22 VAL 93 2HG2 VAL 93 1.749 -7.459 -3.471 781 HG23 VAL 93 3HG2 VAL 93 3.409 -6.860 -3.460 782 H GLU 94 H GLU 94 5.393 -7.489 -1.242 783 HA GLU 94 HA GLU 94 5.209 -9.215 1.107 784 HB2 GLU 94 2HB GLU 94 5.864 -6.248 0.822 785 HB3 GLU 94 3HB GLU 94 5.866 -7.131 2.349 786 HG2 GLU 94 2HG GLU 94 7.682 -7.665 -0.023 787 HG3 GLU 94 3HG GLU 94 8.138 -6.831 1.456 788 H THR 95 H THR 95 3.431 -9.314 2.382 789 HA THR 95 HA THR 95 1.306 -7.273 2.146 790 HB THR 95 HB THR 95 -0.470 -8.966 2.054 791 HG1 THR 95 HG1 THR 95 1.682 -10.816 2.100 792 HG21 THR 95 1HG2 THR 95 1.542 -9.621 -0.129 793 HG22 THR 95 2HG2 THR 95 0.444 -8.245 -0.156 794 HG23 THR 95 3HG2 THR 95 -0.203 -9.884 -0.192 795 H ARG 96 H ARG 96 -0.268 -7.441 3.923 796 HA ARG 96 HA ARG 96 0.085 -9.374 6.026 797 HB2 ARG 96 2HB ARG 96 1.638 -7.722 6.955 798 HB3 ARG 96 3HB ARG 96 0.505 -6.411 6.644 799 HG2 ARG 96 2HG ARG 96 -1.068 -7.431 8.314 800 HG3 ARG 96 3HG ARG 96 0.155 -8.650 8.666 801 HD2 ARG 96 2HD ARG 96 1.648 -6.981 9.589 802 HD3 ARG 96 3HD ARG 96 0.602 -5.672 9.028 803 HE ARG 96 HE ARG 96 -0.813 -6.025 10.799 804 HH11 ARG 96 1HH1 ARG 96 1.521 -8.660 10.767 805 HH12 ARG 96 2HH1 ARG 96 1.055 -9.254 12.319 806 HH21 ARG 96 1HH2 ARG 96 -1.431 -6.850 12.836 807 HH22 ARG 96 2HH2 ARG 96 -0.615 -8.230 13.490 808 H ARG 97 H ARG 97 -1.922 -9.917 6.707 809 HA ARG 97 HA ARG 97 -4.293 -8.560 5.930 810 HB2 ARG 97 2HB ARG 97 -4.181 -10.993 6.533 811 HB3 ARG 97 3HB ARG 97 -3.903 -10.540 8.212 812 HG2 ARG 97 2HG ARG 97 -6.195 -9.235 7.940 813 HG3 ARG 97 3HG ARG 97 -6.423 -10.320 6.562 814 HD2 ARG 97 2HD ARG 97 -7.474 -11.255 8.563 815 HD3 ARG 97 3HD ARG 97 -6.101 -12.263 8.077 816 HE ARG 97 HE ARG 97 -5.606 -10.189 10.079 817 HH11 ARG 97 1HH1 ARG 97 -6.051 -13.630 9.493 818 HH12 ARG 97 2HH1 ARG 97 -5.414 -14.081 11.040 819 HH21 ARG 97 1HH2 ARG 97 -4.808 -10.785 12.078 820 HH22 ARG 97 2HH2 ARG 97 -4.704 -12.460 12.514 821 H ALA 98 H ALA 98 -5.184 -6.809 6.838 822 HA ALA 98 HA ALA 98 -4.577 -5.984 9.570 823 HB1 ALA 98 1HB ALA 98 -3.965 -3.694 8.827 824 HB2 ALA 98 2HB ALA 98 -4.047 -4.213 7.140 825 HB3 ALA 98 3HB ALA 98 -2.824 -4.894 8.214 826 H GLN 99 H GLN 99 -6.581 -6.049 10.273 827 HA GLN 99 HA GLN 99 -8.880 -5.413 8.597 828 HB2 GLN 99 2HB GLN 99 -8.698 -6.375 11.477 829 HB3 GLN 99 3HB GLN 99 -10.210 -6.123 10.602 830 HG2 GLN 99 2HG GLN 99 -9.651 -7.884 9.019 831 HG3 GLN 99 3HG GLN 99 -8.054 -8.076 9.749 832 HE21 GLN 99 1HE2 GLN 99 -11.472 -8.698 10.112 833 HE22 GLN 99 2HE2 GLN 99 -11.324 -9.800 11.434 834 H ASP 100 H ASP 100 -7.487 -4.281 11.659 835 HA ASP 100 HA ASP 100 -9.160 -1.882 11.587 836 HB2 ASP 100 2HB ASP 100 -8.748 -3.334 13.718 837 HB3 ASP 100 3HB ASP 100 -7.160 -2.577 13.770 838 H LYS 101 H LYS 101 -8.269 0.163 11.765 839 HA LYS 101 HA LYS 101 -6.282 0.854 9.929 840 HB2 LYS 101 2HB LYS 101 -6.640 3.179 10.877 841 HB3 LYS 101 3HB LYS 101 -8.108 2.331 10.396 842 HG2 LYS 101 2HG LYS 101 -8.437 1.681 12.814 843 HG3 LYS 101 3HG LYS 101 -7.074 2.727 13.223 844 HD2 LYS 101 2HD LYS 101 -8.320 4.667 12.277 845 HD3 LYS 101 3HD LYS 101 -9.685 3.603 11.926 846 HE2 LYS 101 2HE LYS 101 -9.971 3.152 14.313 847 HE3 LYS 101 3HE LYS 101 -8.547 4.127 14.690 848 HZ1 LYS 101 1HZ LYS 101 -10.599 5.360 15.045 849 HZ2 LYS 101 2HZ LYS 101 -11.037 5.143 13.425 850 HZ3 LYS 101 3HZ LYS 101 -9.675 6.060 13.815 851 H GLU 102 H GLU 102 -6.011 0.266 13.377 852 HA GLU 102 HA GLU 102 -3.485 1.492 13.829 853 HB2 GLU 102 2HB GLU 102 -3.367 -0.029 15.859 854 HB3 GLU 102 3HB GLU 102 -4.799 0.988 15.761 855 HG2 GLU 102 2HG GLU 102 -6.147 -0.887 15.018 856 HG3 GLU 102 3HG GLU 102 -4.728 -1.939 14.964 857 H GLU 103 H GLU 103 -4.392 -1.859 12.962 858 HA GLU 103 HA GLU 103 -1.822 -3.008 12.932 859 HB2 GLU 103 2HB GLU 103 -4.188 -3.793 11.184 860 HB3 GLU 103 3HB GLU 103 -2.808 -4.813 11.600 861 HG2 GLU 103 2HG GLU 103 -3.507 -4.732 13.987 862 HG3 GLU 103 3HG GLU 103 -4.928 -3.789 13.522 863 H VAL 104 H VAL 104 -3.585 -1.171 10.528 864 HA VAL 104 HA VAL 104 -1.941 -1.666 8.279 865 HB VAL 104 HB VAL 104 -3.664 0.791 8.811 866 HG11 VAL 104 1HG1 VAL 104 -3.734 0.987 6.336 867 HG12 VAL 104 2HG1 VAL 104 -2.627 -0.372 6.204 868 HG13 VAL 104 3HG1 VAL 104 -2.091 1.131 6.956 869 HG21 VAL 104 1HG2 VAL 104 -5.006 -1.265 9.024 870 HG22 VAL 104 2HG2 VAL 104 -4.433 -1.820 7.449 871 HG23 VAL 104 3HG2 VAL 104 -5.449 -0.381 7.562 872 H LYS 105 H LYS 105 -2.073 1.101 10.581 873 HA LYS 105 HA LYS 105 -0.021 2.595 9.346 874 HB2 LYS 105 2HB LYS 105 -0.028 4.021 11.328 875 HB3 LYS 105 3HB LYS 105 -1.675 3.642 10.852 876 HG2 LYS 105 2HG LYS 105 -1.853 2.015 12.676 877 HG3 LYS 105 3HG LYS 105 -0.173 2.320 13.132 878 HD2 LYS 105 2HD LYS 105 -0.779 4.699 13.613 879 HD3 LYS 105 3HD LYS 105 -2.457 4.326 13.236 880 HE2 LYS 105 2HE LYS 105 -2.501 2.688 15.090 881 HE3 LYS 105 3HE LYS 105 -0.828 3.104 15.480 882 HZ1 LYS 105 1HZ LYS 105 -3.179 4.918 15.614 883 HZ2 LYS 105 2HZ LYS 105 -1.581 5.384 15.908 884 HZ3 LYS 105 3HZ LYS 105 -2.331 4.263 16.929 885 H ASP 106 H ASP 106 0.104 0.217 12.022 886 HA ASP 106 HA ASP 106 2.846 0.471 12.609 887 HB2 ASP 106 2HB ASP 106 1.050 -1.967 12.912 888 HB3 ASP 106 3HB ASP 106 2.656 -1.813 13.617 889 H ALA 107 H ALA 107 1.137 -1.603 10.247 890 HA ALA 107 HA ALA 107 3.360 -3.145 9.385 891 HB1 ALA 107 1HB ALA 107 1.948 -3.726 7.441 892 HB2 ALA 107 2HB ALA 107 0.817 -2.440 7.874 893 HB3 ALA 107 3HB ALA 107 1.029 -3.822 8.949 894 H VAL 108 H VAL 108 2.065 -0.024 8.403 895 HA VAL 108 HA VAL 108 3.628 0.507 6.126 896 HB VAL 108 HB VAL 108 2.354 2.384 8.173 897 HG11 VAL 108 1HG1 VAL 108 3.568 3.161 5.498 898 HG12 VAL 108 2HG1 VAL 108 4.206 3.594 7.084 899 HG13 VAL 108 3HG1 VAL 108 2.646 4.232 6.560 900 HG21 VAL 108 1HG2 VAL 108 0.757 1.033 6.844 901 HG22 VAL 108 2HG2 VAL 108 1.472 1.650 5.355 902 HG23 VAL 108 3HG2 VAL 108 0.628 2.748 6.449 903 H GLU 109 H GLU 109 4.124 1.526 9.545 904 HA GLU 109 HA GLU 109 6.629 2.758 9.231 905 HB2 GLU 109 2HB GLU 109 5.171 2.966 11.270 906 HB3 GLU 109 3HB GLU 109 5.614 1.321 11.717 907 HG2 GLU 109 2HG GLU 109 8.087 2.264 11.591 908 HG3 GLU 109 3HG GLU 109 7.295 3.826 11.760 909 H GLU 110 H GLU 110 5.761 -0.609 9.774 910 HA GLU 110 HA GLU 110 8.267 -1.689 10.472 911 HB2 GLU 110 2HB GLU 110 5.986 -2.801 10.713 912 HB3 GLU 110 3HB GLU 110 5.984 -3.053 8.976 913 HG2 GLU 110 2HG GLU 110 6.627 -5.122 9.941 914 HG3 GLU 110 3HG GLU 110 8.089 -4.428 9.251 915 H PHE 111 H PHE 111 6.565 -1.387 7.360 916 HA PHE 111 HA PHE 111 8.454 -2.649 5.677 917 HB2 PHE 111 2HB PHE 111 5.974 -2.199 5.216 918 HB3 PHE 111 3HB PHE 111 6.397 -0.525 4.906 919 HD1 PHE 111 HD1 PHE 111 6.787 -4.013 3.674 920 HD2 PHE 111 HD2 PHE 111 7.317 0.135 2.751 921 HE1 PHE 111 HE1 PHE 111 7.189 -4.578 1.315 922 HE2 PHE 111 HE2 PHE 111 7.728 -0.449 0.400 923 HZ PHE 111 HZ PHE 111 7.663 -2.800 -0.321 924 H LEU 112 H LEU 112 8.082 0.644 6.829 925 HA LEU 112 HA LEU 112 9.942 1.869 5.003 926 HB2 LEU 112 2HB LEU 112 8.718 2.909 7.581 927 HB3 LEU 112 3HB LEU 112 9.594 3.889 6.412 928 HG LEU 112 HG LEU 112 6.968 2.447 5.876 929 HD11 LEU 112 1HD1 LEU 112 6.646 4.325 7.381 930 HD12 LEU 112 2HD1 LEU 112 5.938 4.650 5.802 931 HD13 LEU 112 3HD1 LEU 112 7.474 5.400 6.251 932 HD21 LEU 112 1HD2 LEU 112 8.317 2.586 3.856 933 HD22 LEU 112 2HD2 LEU 112 8.530 4.324 4.086 934 HD23 LEU 112 3HD2 LEU 112 6.928 3.660 3.752 935 H LYS 113 H LYS 113 10.134 0.825 8.437 936 HA LYS 113 HA LYS 113 12.820 1.820 8.793 937 HB2 LYS 113 2HB LYS 113 11.012 0.112 10.527 938 HB3 LYS 113 3HB LYS 113 12.667 0.490 10.996 939 HG2 LYS 113 2HG LYS 113 12.108 2.913 10.839 940 HG3 LYS 113 3HG LYS 113 10.430 2.468 10.513 941 HD2 LYS 113 2HD LYS 113 10.289 1.384 12.728 942 HD3 LYS 113 3HD LYS 113 11.978 1.796 13.050 943 HE2 LYS 113 2HE LYS 113 11.437 4.177 12.986 944 HE3 LYS 113 3HE LYS 113 9.773 3.816 12.529 945 HZ1 LYS 113 1HZ LYS 113 9.497 2.698 14.673 946 HZ2 LYS 113 2HZ LYS 113 9.890 4.333 14.846 947 HZ3 LYS 113 3HZ LYS 113 11.069 3.149 15.112 948 H GLU 114 H GLU 114 11.424 -1.211 7.777 949 HA GLU 114 HA GLU 114 13.973 -2.595 7.765 950 HB2 GLU 114 2HB GLU 114 11.264 -3.300 6.566 951 HB3 GLU 114 3HB GLU 114 12.677 -4.347 6.473 952 HG2 GLU 114 2HG GLU 114 11.216 -3.489 8.998 953 HG3 GLU 114 3HG GLU 114 11.239 -5.098 8.275 954 H GLY 115 H GLY 115 12.269 -0.403 5.726 955 HA2 GLY 115 2HA GLY 115 12.874 0.711 3.825 956 HA3 GLY 115 3HA GLY 115 14.479 0.016 3.986 957 H GLY 116 H GLY 116 11.357 -1.555 3.560 958 HA2 GLY 116 2HA GLY 116 10.872 -2.289 1.141 959 HA3 GLY 116 3HA GLY 116 12.414 -3.133 1.311 960 H SER 117 H SER 117 12.109 -5.221 1.765 961 HA SER 117 HA SER 117 9.674 -6.422 2.248 962 HB2 SER 117 2HB SER 117 12.430 -7.547 2.872 963 HB3 SER 117 3HB SER 117 10.963 -8.491 2.592 964 HG SER 117 HG SER 117 11.030 -8.007 0.491 965 H LEU 118 H LEU 118 8.498 -7.023 3.998 966 HA LEU 118 HA LEU 118 9.013 -6.185 6.660 967 HB2 LEU 118 2HB LEU 118 7.162 -8.407 5.667 968 HB3 LEU 118 3HB LEU 118 7.108 -7.674 7.266 969 HG LEU 118 HG LEU 118 6.470 -6.259 4.644 970 HD11 LEU 118 1HD1 LEU 118 4.746 -7.857 5.225 971 HD12 LEU 118 2HD1 LEU 118 4.151 -6.220 5.480 972 HD13 LEU 118 3HD1 LEU 118 4.638 -7.203 6.862 973 HD21 LEU 118 1HD2 LEU 118 6.272 -5.199 7.486 974 HD22 LEU 118 2HD2 LEU 118 5.710 -4.372 6.030 975 HD23 LEU 118 3HD2 LEU 118 7.429 -4.679 6.254 976 H GLU 119 H GLU 119 8.948 -9.494 5.273 977 HA GLU 119 HA GLU 119 11.212 -10.300 6.994 978 HB2 GLU 119 2HB GLU 119 9.342 -12.003 5.298 979 HB3 GLU 119 3HB GLU 119 10.746 -12.628 6.148 980 HG2 GLU 119 2HG GLU 119 8.848 -13.200 7.448 981 HG3 GLU 119 3HG GLU 119 9.669 -11.896 8.305 982 H HIS 120 H HIS 120 13.053 -9.771 6.041 983 HA HIS 120 HA HIS 120 13.504 -9.447 3.252 984 HB2 HIS 120 2HB HIS 120 15.515 -9.851 5.510 985 HB3 HIS 120 3HB HIS 120 15.917 -9.303 3.884 986 HD1 HIS 120 HD1 HIS 120 16.063 -6.838 3.656 987 HD2 HIS 120 HD2 HIS 120 13.583 -7.932 6.800 988 HE1 HIS 120 HE1 HIS 120 15.341 -4.693 4.735 989 HE2 HIS 120 HE2 HIS 120 14.019 -5.406 6.754 990 H HIS 121 H HIS 121 13.955 -12.132 5.490 991 HA HIS 121 HA HIS 121 14.189 -13.956 3.170 992 HB2 HIS 121 2HB HIS 121 14.836 -15.713 4.759 993 HB3 HIS 121 3HB HIS 121 15.890 -14.329 4.943 994 HD1 HIS 121 HD1 HIS 121 14.082 -16.702 6.904 995 HD2 HIS 121 HD2 HIS 121 14.986 -12.677 7.329 996 HE1 HIS 121 HE1 HIS 121 13.757 -16.191 9.339 997 HE2 HIS 121 HE2 HIS 121 14.425 -13.778 9.589 998 H HIS 122 H HIS 122 12.076 -13.611 2.504 999 HA HIS 122 HA HIS 122 9.751 -13.824 4.136 1000 HB2 HIS 122 2HB HIS 122 9.875 -12.551 1.970 1001 HB3 HIS 122 3HB HIS 122 9.962 -14.072 1.105 1002 HD1 HIS 122 HD1 HIS 122 7.601 -11.611 2.375 1003 HD2 HIS 122 HD2 HIS 122 7.459 -15.637 1.337 1004 HE1 HIS 122 HE1 HIS 122 5.176 -12.143 2.030 1005 HE2 HIS 122 HE2 HIS 122 5.127 -14.543 1.282 1006 H HIS 123 H HIS 123 10.000 -15.731 5.281 1007 HA HIS 123 HA HIS 123 8.898 -18.118 4.098 1008 HB2 HIS 123 2HB HIS 123 11.310 -18.429 3.544 1009 HB3 HIS 123 3HB HIS 123 11.737 -18.200 5.235 1010 HD1 HIS 123 HD1 HIS 123 11.335 -20.183 6.837 1011 HD2 HIS 123 HD2 HIS 123 10.236 -20.981 2.913 1012 HE1 HIS 123 HE1 HIS 123 10.910 -22.650 6.745 1013 HE2 HIS 123 HE2 HIS 123 10.076 -23.074 4.411 1014 H HIS 124 H HIS 124 7.455 -18.700 5.586 1015 HA HIS 124 HA HIS 124 8.013 -18.666 8.456 1016 HB2 HIS 124 2HB HIS 124 7.186 -16.367 8.021 1017 HB3 HIS 124 3HB HIS 124 5.768 -17.012 7.210 1018 HD1 HIS 124 HD1 HIS 124 3.863 -17.962 8.708 1019 HD2 HIS 124 HD2 HIS 124 7.070 -16.404 10.847 1020 HE1 HIS 124 HE1 HIS 124 3.051 -17.735 11.073 1021 HE2 HIS 124 HE2 HIS 124 5.035 -16.859 12.359 1022 H HIS 125 H HIS 125 7.261 -20.572 9.197 1023 HA HIS 125 HA HIS 125 5.219 -22.070 7.725 1024 HB2 HIS 125 2HB HIS 125 7.235 -23.280 8.483 1025 HB3 HIS 125 3HB HIS 125 6.904 -22.836 10.157 1026 HD1 HIS 125 HD1 HIS 125 5.251 -24.810 7.347 1027 HD2 HIS 125 HD2 HIS 125 5.414 -24.734 11.491 1028 HE1 HIS 125 HE1 HIS 125 3.952 -26.810 8.108 1029 HE2 HIS 125 HE2 HIS 125 3.863 -26.593 10.617 Start of MODEL 9 1 H1 MET 1 1H MET 1 15.055 7.410 -5.679 2 H2 MET 1 2H MET 1 13.639 7.589 -4.785 3 H3 MET 1 3H MET 1 14.522 6.151 -4.681 4 HA MET 1 HA MET 1 16.376 7.304 -3.686 5 HB2 MET 1 2HB MET 1 16.194 9.663 -3.007 6 HB3 MET 1 3HB MET 1 16.012 9.511 -4.746 7 HG2 MET 1 2HG MET 1 13.651 9.927 -4.627 8 HG3 MET 1 3HG MET 1 13.643 9.767 -2.871 9 HE1 MET 1 1HE MET 1 14.580 11.587 -1.199 10 HE2 MET 1 2HE MET 1 15.451 13.035 -1.708 11 HE3 MET 1 3HE MET 1 16.173 11.444 -1.943 12 H GLY 2 H GLY 2 13.215 6.506 -3.159 13 HA2 GLY 2 2HA GLY 2 12.659 5.316 -1.110 14 HA3 GLY 2 3HA GLY 2 13.458 6.594 -0.200 15 H LYS 3 H LYS 3 11.420 7.402 -2.959 16 HA LYS 3 HA LYS 3 9.665 9.016 -1.423 17 HB2 LYS 3 2HB LYS 3 10.136 9.502 -3.822 18 HB3 LYS 3 3HB LYS 3 9.284 8.037 -4.295 19 HG2 LYS 3 2HG LYS 3 7.902 10.065 -4.629 20 HG3 LYS 3 3HG LYS 3 7.149 8.959 -3.465 21 HD2 LYS 3 2HD LYS 3 8.115 10.365 -1.604 22 HD3 LYS 3 3HD LYS 3 8.749 11.483 -2.813 23 HE2 LYS 3 2HE LYS 3 6.436 11.979 -3.548 24 HE3 LYS 3 3HE LYS 3 5.812 10.861 -2.328 25 HZ1 LYS 3 1HZ LYS 3 6.878 12.271 -0.615 26 HZ2 LYS 3 2HZ LYS 3 5.700 13.097 -1.500 27 HZ3 LYS 3 3HZ LYS 3 7.335 13.370 -1.819 28 H VAL 4 H VAL 4 8.361 8.133 0.028 29 HA VAL 4 HA VAL 4 6.952 5.600 -0.447 30 HB VAL 4 HB VAL 4 6.775 7.282 2.101 31 HG11 VAL 4 1HG1 VAL 4 6.433 4.287 1.646 32 HG12 VAL 4 2HG1 VAL 4 5.139 5.467 1.874 33 HG13 VAL 4 3HG1 VAL 4 6.262 5.133 3.190 34 HG21 VAL 4 1HG2 VAL 4 8.663 6.050 3.072 35 HG22 VAL 4 2HG2 VAL 4 9.172 6.969 1.656 36 HG23 VAL 4 3HG2 VAL 4 8.946 5.225 1.534 37 H VAL 5 H VAL 5 4.900 5.613 -1.117 38 HA VAL 5 HA VAL 5 3.123 7.920 -0.554 39 HB VAL 5 HB VAL 5 3.285 6.338 -3.180 40 HG11 VAL 5 1HG1 VAL 5 1.282 8.506 -2.416 41 HG12 VAL 5 2HG1 VAL 5 0.930 6.792 -2.644 42 HG13 VAL 5 3HG1 VAL 5 1.450 7.769 -4.015 43 HG21 VAL 5 1HG2 VAL 5 3.842 8.528 -4.205 44 HG22 VAL 5 2HG2 VAL 5 5.031 8.048 -2.997 45 HG23 VAL 5 3HG2 VAL 5 3.832 9.283 -2.606 46 H PHE 6 H PHE 6 1.538 7.256 0.711 47 HA PHE 6 HA PHE 6 0.665 4.454 0.743 48 HB2 PHE 6 2HB PHE 6 1.111 5.591 2.917 49 HB3 PHE 6 3HB PHE 6 -0.135 6.786 2.559 50 HD1 PHE 6 HD1 PHE 6 0.359 3.087 2.877 51 HD2 PHE 6 HD2 PHE 6 -2.345 6.369 3.335 52 HE1 PHE 6 HE1 PHE 6 -1.331 1.564 3.796 53 HE2 PHE 6 HE2 PHE 6 -4.031 4.838 4.262 54 HZ PHE 6 HZ PHE 6 -3.527 2.435 4.478 55 H LEU 7 H LEU 7 -1.047 3.852 -0.339 56 HA LEU 7 HA LEU 7 -3.155 5.758 -1.169 57 HB2 LEU 7 2HB LEU 7 -1.962 4.729 -3.067 58 HB3 LEU 7 3HB LEU 7 -2.171 3.128 -2.380 59 HG LEU 7 HG LEU 7 -4.623 3.295 -2.762 60 HD11 LEU 7 1HD1 LEU 7 -4.010 5.931 -4.134 61 HD12 LEU 7 2HD1 LEU 7 -4.926 5.711 -2.640 62 HD13 LEU 7 3HD1 LEU 7 -5.561 5.085 -4.159 63 HD21 LEU 7 1HD2 LEU 7 -3.173 2.206 -4.432 64 HD22 LEU 7 2HD2 LEU 7 -2.960 3.746 -5.272 65 HD23 LEU 7 3HD2 LEU 7 -4.554 2.989 -5.196 66 H SER 8 H SER 8 -5.208 5.331 -0.319 67 HA SER 8 HA SER 8 -5.920 2.614 0.481 68 HB2 SER 8 2HB SER 8 -5.042 3.520 2.592 69 HB3 SER 8 3HB SER 8 -6.045 4.958 2.432 70 HG SER 8 HG SER 8 -7.525 3.868 3.435 71 H ASP 9 H ASP 9 -8.173 2.327 0.709 72 HA ASP 9 HA ASP 9 -9.817 4.190 -0.866 73 HB2 ASP 9 2HB ASP 9 -9.911 1.776 -1.397 74 HB3 ASP 9 3HB ASP 9 -10.371 1.400 0.258 75 H ASP 10 H ASP 10 -9.343 3.021 2.401 76 HA ASP 10 HA ASP 10 -11.799 4.197 3.469 77 HB2 ASP 10 2HB ASP 10 -9.549 3.186 5.228 78 HB3 ASP 10 3HB ASP 10 -11.280 3.145 5.513 79 H GLN 11 H GLN 11 -11.882 6.305 4.079 80 HA GLN 11 HA GLN 11 -9.707 8.090 4.245 81 HB2 GLN 11 2HB GLN 11 -12.059 8.795 3.867 82 HB3 GLN 11 3HB GLN 11 -12.478 8.308 5.502 83 HG2 GLN 11 2HG GLN 11 -12.249 10.727 5.356 84 HG3 GLN 11 3HG GLN 11 -11.003 10.056 6.413 85 HE21 GLN 11 1HE2 GLN 11 -8.836 10.126 5.732 86 HE22 GLN 11 2HE2 GLN 11 -8.313 11.113 4.412 87 H GLU 12 H GLU 12 -11.356 6.154 6.710 88 HA GLU 12 HA GLU 12 -10.371 7.263 9.083 89 HB2 GLU 12 2HB GLU 12 -10.756 4.255 8.806 90 HB3 GLU 12 3HB GLU 12 -11.050 5.274 10.208 91 HG2 GLU 12 2HG GLU 12 -12.749 4.920 7.741 92 HG3 GLU 12 3HG GLU 12 -13.168 4.590 9.419 93 H ILE 13 H ILE 13 -9.001 4.902 6.906 94 HA ILE 13 HA ILE 13 -6.734 4.168 8.527 95 HB ILE 13 HB ILE 13 -7.342 3.739 5.562 96 HG12 ILE 13 2HG1 ILE 13 -8.920 2.552 7.058 97 HG13 ILE 13 3HG1 ILE 13 -7.912 1.424 6.170 98 HG21 ILE 13 1HG2 ILE 13 -5.130 2.489 7.211 99 HG22 ILE 13 2HG2 ILE 13 -4.934 3.673 5.918 100 HG23 ILE 13 3HG2 ILE 13 -5.554 2.069 5.552 101 HD11 ILE 13 1HD1 ILE 13 -7.624 2.177 9.076 102 HD12 ILE 13 2HD1 ILE 13 -6.563 1.075 8.198 103 HD13 ILE 13 3HD1 ILE 13 -8.262 0.670 8.421 104 H ILE 14 H ILE 14 -7.280 6.318 5.705 105 HA ILE 14 HA ILE 14 -4.663 7.050 5.052 106 HB ILE 14 HB ILE 14 -7.251 8.671 4.818 107 HG12 ILE 14 2HG1 ILE 14 -5.705 7.095 2.695 108 HG13 ILE 14 3HG1 ILE 14 -7.173 6.553 3.493 109 HG21 ILE 14 1HG2 ILE 14 -5.378 10.257 4.782 110 HG22 ILE 14 2HG2 ILE 14 -6.104 10.139 3.183 111 HG23 ILE 14 3HG2 ILE 14 -4.574 9.324 3.518 112 HD11 ILE 14 1HD1 ILE 14 -7.663 7.355 1.278 113 HD12 ILE 14 2HD1 ILE 14 -6.927 8.916 1.635 114 HD13 ILE 14 3HD1 ILE 14 -8.405 8.424 2.469 115 H GLU 15 H GLU 15 -6.898 8.478 7.386 116 HA GLU 15 HA GLU 15 -5.372 10.710 8.211 117 HB2 GLU 15 2HB GLU 15 -7.534 9.143 9.679 118 HB3 GLU 15 3HB GLU 15 -6.951 10.737 10.157 119 HG2 GLU 15 2HG GLU 15 -7.830 11.740 8.141 120 HG3 GLU 15 3HG GLU 15 -8.237 10.166 7.467 121 H GLU 16 H GLU 16 -5.685 7.440 9.577 122 HA GLU 16 HA GLU 16 -4.077 7.924 11.893 123 HB2 GLU 16 2HB GLU 16 -5.175 5.413 10.589 124 HB3 GLU 16 3HB GLU 16 -4.187 5.350 12.048 125 HG2 GLU 16 2HG GLU 16 -6.760 6.956 11.845 126 HG3 GLU 16 3HG GLU 16 -6.681 5.293 12.425 127 H VAL 17 H VAL 17 -3.355 6.494 8.708 128 HA VAL 17 HA VAL 17 -0.669 5.742 9.353 129 HB VAL 17 HB VAL 17 -1.972 6.216 6.628 130 HG11 VAL 17 1HG1 VAL 17 0.463 6.392 6.418 131 HG12 VAL 17 2HG1 VAL 17 -0.107 4.902 5.671 132 HG13 VAL 17 3HG1 VAL 17 0.681 4.849 7.251 133 HG21 VAL 17 1HG2 VAL 17 -3.056 4.403 7.907 134 HG22 VAL 17 2HG2 VAL 17 -1.500 3.600 8.126 135 HG23 VAL 17 3HG2 VAL 17 -2.189 3.763 6.512 136 H SER 18 H SER 18 -2.180 8.603 7.893 137 HA SER 18 HA SER 18 0.174 10.071 7.316 138 HB2 SER 18 2HB SER 18 -2.088 10.599 6.401 139 HB3 SER 18 3HB SER 18 -2.609 11.124 8.000 140 HG SER 18 HG SER 18 -1.700 12.982 7.635 141 H LYS 19 H LYS 19 -1.801 9.741 10.223 142 HA LYS 19 HA LYS 19 -0.596 11.740 11.832 143 HB2 LYS 19 2HB LYS 19 -2.774 10.803 12.465 144 HB3 LYS 19 3HB LYS 19 -2.105 9.184 12.567 145 HG2 LYS 19 2HG LYS 19 -2.507 10.076 14.804 146 HG3 LYS 19 3HG LYS 19 -0.784 9.821 14.543 147 HD2 LYS 19 2HD LYS 19 -1.071 11.907 15.716 148 HD3 LYS 19 3HD LYS 19 -0.537 12.270 14.075 149 HE2 LYS 19 2HE LYS 19 -2.935 12.713 13.462 150 HE3 LYS 19 3HE LYS 19 -3.361 12.503 15.165 151 HZ1 LYS 19 1HZ LYS 19 -1.574 14.577 14.009 152 HZ2 LYS 19 2HZ LYS 19 -1.768 14.323 15.664 153 HZ3 LYS 19 3HZ LYS 19 -3.084 14.818 14.732 154 H LYS 20 H LYS 20 -0.135 8.187 11.785 155 HA LYS 20 HA LYS 20 1.946 7.955 13.633 156 HB2 LYS 20 2HB LYS 20 0.550 6.067 12.786 157 HB3 LYS 20 3HB LYS 20 1.342 6.173 11.223 158 HG2 LYS 20 2HG LYS 20 2.215 4.298 12.491 159 HG3 LYS 20 3HG LYS 20 3.491 5.508 12.285 160 HD2 LYS 20 2HD LYS 20 3.035 6.348 14.581 161 HD3 LYS 20 3HD LYS 20 1.785 5.113 14.778 162 HE2 LYS 20 2HE LYS 20 4.723 4.562 14.279 163 HE3 LYS 20 3HE LYS 20 3.925 4.492 15.852 164 HZ1 LYS 20 1HZ LYS 20 3.245 2.810 13.509 165 HZ2 LYS 20 2HZ LYS 20 2.520 2.721 15.034 166 HZ3 LYS 20 3HZ LYS 20 4.151 2.310 14.842 167 H ALA 21 H ALA 21 2.051 8.294 10.117 168 HA ALA 21 HA ALA 21 4.795 8.111 9.672 169 HB1 ALA 21 1HB ALA 21 3.131 8.066 7.872 170 HB2 ALA 21 2HB ALA 21 4.362 9.289 7.557 171 HB3 ALA 21 3HB ALA 21 2.766 9.772 8.142 172 H GLU 22 H GLU 22 2.790 11.028 10.195 173 HA GLU 22 HA GLU 22 4.907 12.896 9.936 174 HB2 GLU 22 2HB GLU 22 2.503 13.422 9.553 175 HB3 GLU 22 3HB GLU 22 2.188 13.247 11.278 176 HG2 GLU 22 2HG GLU 22 3.602 15.167 11.775 177 HG3 GLU 22 3HG GLU 22 4.092 15.288 10.088 178 H GLU 23 H GLU 23 3.448 11.333 12.786 179 HA GLU 23 HA GLU 23 4.854 12.623 14.820 180 HB2 GLU 23 2HB GLU 23 3.947 9.720 14.658 181 HB3 GLU 23 3HB GLU 23 4.529 10.489 16.129 182 HG2 GLU 23 2HG GLU 23 2.056 11.331 14.582 183 HG3 GLU 23 3HG GLU 23 2.057 10.314 16.017 184 H GLU 24 H GLU 24 5.798 9.822 12.819 185 HA GLU 24 HA GLU 24 8.422 9.597 14.120 186 HB2 GLU 24 2HB GLU 24 7.175 7.948 11.891 187 HB3 GLU 24 3HB GLU 24 8.664 7.558 12.744 188 HG2 GLU 24 2HG GLU 24 5.880 7.648 13.955 189 HG3 GLU 24 3HG GLU 24 6.776 6.193 13.525 190 H GLY 25 H GLY 25 7.290 11.549 11.688 191 HA2 GLY 25 2HA GLY 25 8.431 13.054 10.364 192 HA3 GLY 25 3HA GLY 25 9.942 12.343 10.906 193 H TYR 26 H TYR 26 7.445 10.416 9.413 194 HA TYR 26 HA TYR 26 9.123 9.771 7.125 195 HB2 TYR 26 2HB TYR 26 6.418 8.675 8.000 196 HB3 TYR 26 3HB TYR 26 7.343 8.074 6.631 197 HD1 TYR 26 HD1 TYR 26 10.081 7.911 7.742 198 HD2 TYR 26 HD2 TYR 26 6.339 6.857 9.509 199 HE1 TYR 26 HE1 TYR 26 11.207 6.230 9.129 200 HE2 TYR 26 HE2 TYR 26 7.467 5.173 10.902 201 HH TYR 26 HH TYR 26 10.904 5.003 11.143 202 H ASP 27 H ASP 27 8.995 11.113 5.391 203 HA ASP 27 HA ASP 27 6.678 12.613 4.621 204 HB2 ASP 27 2HB ASP 27 8.947 13.367 3.979 205 HB3 ASP 27 3HB ASP 27 9.188 11.906 3.029 206 H ILE 28 H ILE 28 4.913 11.265 4.355 207 HA ILE 28 HA ILE 28 5.042 9.246 2.173 208 HB ILE 28 HB ILE 28 3.318 9.053 4.702 209 HG12 ILE 28 2HG1 ILE 28 5.822 7.472 3.915 210 HG13 ILE 28 3HG1 ILE 28 5.673 8.601 5.257 211 HG21 ILE 28 1HG2 ILE 28 2.692 6.819 3.862 212 HG22 ILE 28 2HG2 ILE 28 3.663 7.074 2.409 213 HG23 ILE 28 3HG2 ILE 28 2.242 8.076 2.710 214 HD11 ILE 28 1HD1 ILE 28 5.624 6.373 6.091 215 HD12 ILE 28 2HD1 ILE 28 4.324 5.923 4.992 216 HD13 ILE 28 3HD1 ILE 28 4.021 7.072 6.300 217 H GLN 29 H GLN 29 3.869 9.955 0.502 218 HA GLN 29 HA GLN 29 1.834 11.995 0.760 219 HB2 GLN 29 2HB GLN 29 3.298 11.941 -1.216 220 HB3 GLN 29 3HB GLN 29 2.719 10.338 -1.641 221 HG2 GLN 29 2HG GLN 29 1.750 12.134 -3.046 222 HG3 GLN 29 3HG GLN 29 0.523 11.203 -2.191 223 HE21 GLN 29 1HE2 GLN 29 -0.747 12.240 -0.644 224 HE22 GLN 29 2HE2 GLN 29 -0.728 13.951 -0.407 225 H THR 30 H THR 30 -0.094 11.499 1.514 226 HA THR 30 HA THR 30 -1.226 8.804 1.220 227 HB THR 30 HB THR 30 -2.930 9.822 2.916 228 HG1 THR 30 HG1 THR 30 -2.050 11.630 4.074 229 HG21 THR 30 1HG2 THR 30 -1.442 9.468 4.845 230 HG22 THR 30 2HG2 THR 30 -0.023 9.556 3.798 231 HG23 THR 30 3HG2 THR 30 -1.171 8.225 3.626 232 H SER 31 H SER 31 -2.983 8.416 -0.047 233 HA SER 31 HA SER 31 -4.539 10.575 -1.267 234 HB2 SER 31 2HB SER 31 -2.558 10.386 -2.755 235 HB3 SER 31 3HB SER 31 -2.836 8.653 -2.937 236 HG SER 31 HG SER 31 -4.729 10.643 -3.677 237 H ASN 32 H ASN 32 -6.341 9.777 -2.517 238 HA ASN 32 HA ASN 32 -7.317 7.078 -1.777 239 HB2 ASN 32 2HB ASN 32 -8.561 8.969 -0.704 240 HB3 ASN 32 3HB ASN 32 -8.900 9.648 -2.291 241 HD21 ASN 32 1HD2 ASN 32 -9.078 6.200 -1.362 242 HD22 ASN 32 2HD2 ASN 32 -10.778 6.053 -1.611 243 H ASP 33 H ASP 33 -6.617 9.358 -4.353 244 HA ASP 33 HA ASP 33 -8.278 8.042 -6.345 245 HB2 ASP 33 2HB ASP 33 -7.795 10.566 -6.347 246 HB3 ASP 33 3HB ASP 33 -6.178 10.183 -6.929 247 H LYS 34 H LYS 34 -7.577 5.984 -6.534 248 HA LYS 34 HA LYS 34 -4.905 5.071 -6.526 249 HB2 LYS 34 2HB LYS 34 -5.849 2.879 -7.098 250 HB3 LYS 34 3HB LYS 34 -6.844 3.680 -5.885 251 HG2 LYS 34 2HG LYS 34 -8.403 4.391 -7.741 252 HG3 LYS 34 3HG LYS 34 -7.453 3.383 -8.840 253 HD2 LYS 34 2HD LYS 34 -8.017 1.382 -7.484 254 HD3 LYS 34 3HD LYS 34 -8.948 2.393 -6.374 255 HE2 LYS 34 2HE LYS 34 -10.504 2.974 -8.199 256 HE3 LYS 34 3HE LYS 34 -9.560 1.997 -9.323 257 HZ1 LYS 34 1HZ LYS 34 -10.989 0.968 -6.928 258 HZ2 LYS 34 2HZ LYS 34 -10.104 0.029 -8.016 259 HZ3 LYS 34 3HZ LYS 34 -11.510 0.813 -8.526 260 H LYS 35 H LYS 35 -6.986 6.072 -9.173 261 HA LYS 35 HA LYS 35 -5.468 4.841 -11.287 262 HB2 LYS 35 2HB LYS 35 -6.882 6.243 -12.835 263 HB3 LYS 35 3HB LYS 35 -7.789 5.212 -11.737 264 HG2 LYS 35 2HG LYS 35 -8.320 7.125 -10.319 265 HG3 LYS 35 3HG LYS 35 -7.331 8.180 -11.330 266 HD2 LYS 35 2HD LYS 35 -8.850 7.859 -13.225 267 HD3 LYS 35 3HD LYS 35 -9.807 6.691 -12.305 268 HE2 LYS 35 2HE LYS 35 -10.853 8.948 -12.407 269 HE3 LYS 35 3HE LYS 35 -10.513 8.436 -10.751 270 HZ1 LYS 35 1HZ LYS 35 -8.763 10.228 -12.347 271 HZ2 LYS 35 2HZ LYS 35 -8.583 9.823 -10.712 272 HZ3 LYS 35 3HZ LYS 35 -9.898 10.757 -11.211 273 H GLU 36 H GLU 36 -5.417 8.033 -9.747 274 HA GLU 36 HA GLU 36 -3.500 9.322 -11.404 275 HB2 GLU 36 2HB GLU 36 -4.672 10.539 -9.566 276 HB3 GLU 36 3HB GLU 36 -3.856 9.550 -8.361 277 HG2 GLU 36 2HG GLU 36 -1.656 10.484 -9.309 278 HG3 GLU 36 3HG GLU 36 -2.641 11.655 -10.181 279 H ILE 37 H ILE 37 -3.207 7.220 -8.581 280 HA ILE 37 HA ILE 37 -0.432 7.410 -8.199 281 HB ILE 37 HB ILE 37 -2.355 5.195 -7.345 282 HG12 ILE 37 2HG1 ILE 37 -3.030 7.391 -6.465 283 HG13 ILE 37 3HG1 ILE 37 -2.425 6.388 -5.157 284 HG21 ILE 37 1HG2 ILE 37 -0.715 4.622 -5.610 285 HG22 ILE 37 2HG2 ILE 37 0.421 5.797 -6.276 286 HG23 ILE 37 3HG2 ILE 37 -0.052 4.387 -7.228 287 HD11 ILE 37 1HD1 ILE 37 -0.294 7.646 -5.219 288 HD12 ILE 37 2HD1 ILE 37 -1.690 8.670 -4.894 289 HD13 ILE 37 3HD1 ILE 37 -0.958 8.671 -6.497 290 H ILE 38 H ILE 38 -2.364 5.038 -10.027 291 HA ILE 38 HA ILE 38 -0.378 3.254 -10.901 292 HB ILE 38 HB ILE 38 -2.949 4.201 -12.271 293 HG12 ILE 38 2HG1 ILE 38 -2.397 1.650 -10.668 294 HG13 ILE 38 3HG1 ILE 38 -3.245 3.064 -10.062 295 HG21 ILE 38 1HG2 ILE 38 -2.853 2.204 -13.717 296 HG22 ILE 38 2HG2 ILE 38 -1.271 1.789 -13.058 297 HG23 ILE 38 3HG2 ILE 38 -1.473 3.266 -13.998 298 HD11 ILE 38 1HD1 ILE 38 -4.183 1.238 -12.272 299 HD12 ILE 38 2HD1 ILE 38 -5.025 2.689 -11.719 300 HD13 ILE 38 3HD1 ILE 38 -4.802 1.326 -10.624 301 H ASP 39 H ASP 39 -1.544 6.283 -12.331 302 HA ASP 39 HA ASP 39 0.082 6.386 -14.636 303 HB2 ASP 39 2HB ASP 39 -1.875 7.768 -14.542 304 HB3 ASP 39 3HB ASP 39 -1.389 8.510 -13.024 305 H ARG 40 H ARG 40 0.653 7.480 -11.315 306 HA ARG 40 HA ARG 40 3.098 8.908 -11.871 307 HB2 ARG 40 2HB ARG 40 2.023 7.895 -9.196 308 HB3 ARG 40 3HB ARG 40 3.305 9.090 -9.412 309 HG2 ARG 40 2HG ARG 40 1.644 10.601 -10.531 310 HG3 ARG 40 3HG ARG 40 0.390 9.414 -10.198 311 HD2 ARG 40 2HD ARG 40 0.228 11.118 -8.530 312 HD3 ARG 40 3HD ARG 40 0.892 9.686 -7.733 313 HE ARG 40 HE ARG 40 3.112 11.040 -8.436 314 HH11 ARG 40 1HH1 ARG 40 0.210 12.100 -6.724 315 HH12 ARG 40 2HH1 ARG 40 1.062 13.308 -5.810 316 HH21 ARG 40 1HH2 ARG 40 4.191 12.604 -7.272 317 HH22 ARG 40 2HH2 ARG 40 3.348 13.595 -6.129 318 H LEU 41 H LEU 41 2.286 5.631 -10.831 319 HA LEU 41 HA LEU 41 4.889 4.665 -10.318 320 HB2 LEU 41 2HB LEU 41 2.387 3.213 -11.283 321 HB3 LEU 41 3HB LEU 41 3.859 2.383 -10.810 322 HG LEU 41 HG LEU 41 2.240 4.149 -8.922 323 HD11 LEU 41 1HD1 LEU 41 0.890 2.196 -9.585 324 HD12 LEU 41 2HD1 LEU 41 1.365 2.106 -7.893 325 HD13 LEU 41 3HD1 LEU 41 2.195 1.111 -9.093 326 HD21 LEU 41 1HD2 LEU 41 3.584 3.109 -7.149 327 HD22 LEU 41 2HD2 LEU 41 4.598 3.966 -8.307 328 HD23 LEU 41 3HD2 LEU 41 4.499 2.204 -8.360 329 H LYS 42 H LYS 42 3.005 4.967 -13.321 330 HA LYS 42 HA LYS 42 4.823 3.794 -15.154 331 HB2 LYS 42 2HB LYS 42 2.905 6.128 -15.634 332 HB3 LYS 42 3HB LYS 42 3.694 5.187 -16.900 333 HG2 LYS 42 2HG LYS 42 2.503 3.162 -16.113 334 HG3 LYS 42 3HG LYS 42 1.690 4.132 -14.884 335 HD2 LYS 42 2HD LYS 42 0.620 5.487 -16.680 336 HD3 LYS 42 3HD LYS 42 1.423 4.490 -17.899 337 HE2 LYS 42 2HE LYS 42 0.210 2.497 -17.066 338 HE3 LYS 42 3HE LYS 42 -0.585 3.492 -15.840 339 HZ1 LYS 42 1HZ LYS 42 -1.624 4.772 -17.606 340 HZ2 LYS 42 2HZ LYS 42 -2.007 3.135 -17.754 341 HZ3 LYS 42 3HZ LYS 42 -0.858 3.829 -18.782 342 H ARG 43 H ARG 43 4.769 6.970 -13.650 343 HA ARG 43 HA ARG 43 6.821 8.134 -15.368 344 HB2 ARG 43 2HB ARG 43 5.433 9.253 -12.879 345 HB3 ARG 43 3HB ARG 43 6.484 10.173 -13.959 346 HG2 ARG 43 2HG ARG 43 4.883 9.808 -15.818 347 HG3 ARG 43 3HG ARG 43 3.850 8.881 -14.731 348 HD2 ARG 43 2HD ARG 43 3.660 10.965 -13.296 349 HD3 ARG 43 3HD ARG 43 4.469 11.849 -14.601 350 HE ARG 43 HE ARG 43 1.907 10.388 -14.912 351 HH11 ARG 43 1HH1 ARG 43 3.891 13.196 -15.661 352 HH12 ARG 43 2HH1 ARG 43 2.675 13.930 -16.652 353 HH21 ARG 43 1HH2 ARG 43 0.316 11.361 -16.133 354 HH22 ARG 43 2HH2 ARG 43 0.620 12.879 -16.922 355 H ARG 44 H ARG 44 7.007 5.982 -12.861 356 HA ARG 44 HA ARG 44 8.570 5.276 -11.379 357 HB2 ARG 44 2HB ARG 44 10.476 7.105 -12.927 358 HB3 ARG 44 3HB ARG 44 10.971 5.854 -11.792 359 HG2 ARG 44 2HG ARG 44 9.412 5.293 -14.335 360 HG3 ARG 44 3HG ARG 44 11.171 5.243 -14.234 361 HD2 ARG 44 2HD ARG 44 9.350 3.528 -12.512 362 HD3 ARG 44 3HD ARG 44 10.005 3.010 -14.066 363 HE ARG 44 HE ARG 44 12.226 3.196 -13.141 364 HH11 ARG 44 1HH1 ARG 44 9.640 3.152 -10.744 365 HH12 ARG 44 2HH1 ARG 44 10.687 2.602 -9.477 366 HH21 ARG 44 1HH2 ARG 44 13.545 2.435 -11.494 367 HH22 ARG 44 2HH2 ARG 44 12.895 2.200 -9.903 368 H ASN 45 H ASN 45 6.952 7.663 -10.915 369 HA ASN 45 HA ASN 45 8.437 9.704 -9.553 370 HB2 ASN 45 2HB ASN 45 6.327 10.038 -10.901 371 HB3 ASN 45 3HB ASN 45 5.425 9.194 -9.654 372 HD21 ASN 45 1HD2 ASN 45 7.212 12.082 -10.444 373 HD22 ASN 45 2HD2 ASN 45 6.542 13.076 -9.205 374 H ILE 46 H ILE 46 7.016 6.709 -8.664 375 HA ILE 46 HA ILE 46 7.247 7.273 -5.757 376 HB ILE 46 HB ILE 46 5.460 5.180 -7.108 377 HG12 ILE 46 2HG1 ILE 46 4.714 7.911 -5.943 378 HG13 ILE 46 3HG1 ILE 46 4.653 7.454 -7.640 379 HG21 ILE 46 1HG2 ILE 46 4.437 4.913 -4.874 380 HG22 ILE 46 2HG2 ILE 46 5.563 6.093 -4.200 381 HG23 ILE 46 3HG2 ILE 46 6.164 4.553 -4.821 382 HD11 ILE 46 1HD1 ILE 46 2.874 5.827 -7.098 383 HD12 ILE 46 2HD1 ILE 46 2.453 7.497 -6.715 384 HD13 ILE 46 3HD1 ILE 46 2.920 6.395 -5.423 385 H ASP 47 H ASP 47 8.725 6.102 -4.696 386 HA ASP 47 HA ASP 47 10.375 4.118 -6.099 387 HB2 ASP 47 2HB ASP 47 11.348 6.035 -4.826 388 HB3 ASP 47 3HB ASP 47 10.628 5.421 -3.350 389 H MET 48 H MET 48 8.205 4.388 -3.363 390 HA MET 48 HA MET 48 7.750 1.532 -3.263 391 HB2 MET 48 2HB MET 48 8.137 1.421 -0.767 392 HB3 MET 48 3HB MET 48 9.597 1.618 -1.719 393 HG2 MET 48 2HG MET 48 9.607 4.039 -1.151 394 HG3 MET 48 3HG MET 48 8.203 3.774 -0.116 395 HE1 MET 48 1HE MET 48 8.978 0.823 1.099 396 HE2 MET 48 2HE MET 48 8.271 2.135 2.043 397 HE3 MET 48 3HE MET 48 9.736 1.333 2.608 398 H ILE 49 H ILE 49 5.719 1.045 -2.560 399 HA ILE 49 HA ILE 49 3.907 3.233 -1.767 400 HB ILE 49 HB ILE 49 3.731 3.118 -4.198 401 HG12 ILE 49 2HG1 ILE 49 1.331 1.813 -2.824 402 HG13 ILE 49 3HG1 ILE 49 1.612 3.536 -3.045 403 HG21 ILE 49 1HG2 ILE 49 4.639 0.863 -4.577 404 HG22 ILE 49 2HG2 ILE 49 3.118 1.081 -5.440 405 HG23 ILE 49 3HG2 ILE 49 3.155 0.141 -3.945 406 HD11 ILE 49 1HD1 ILE 49 1.018 1.520 -5.206 407 HD12 ILE 49 2HD1 ILE 49 1.370 3.226 -5.483 408 HD13 ILE 49 3HD1 ILE 49 -0.065 2.757 -4.573 409 H ILE 50 H ILE 50 2.169 2.572 -0.505 410 HA ILE 50 HA ILE 50 1.859 -0.311 0.130 411 HB ILE 50 HB ILE 50 1.861 2.000 2.149 412 HG12 ILE 50 2HG1 ILE 50 3.877 -0.280 1.775 413 HG13 ILE 50 3HG1 ILE 50 4.152 1.409 1.385 414 HG21 ILE 50 1HG2 ILE 50 1.589 0.252 3.886 415 HG22 ILE 50 2HG2 ILE 50 1.435 -0.979 2.630 416 HG23 ILE 50 3HG2 ILE 50 0.218 0.292 2.778 417 HD11 ILE 50 1HD1 ILE 50 5.268 0.807 3.417 418 HD12 ILE 50 2HD1 ILE 50 3.754 0.262 4.137 419 HD13 ILE 50 3HD1 ILE 50 3.990 1.971 3.763 420 H VAL 51 H VAL 51 -0.242 -0.946 -0.107 421 HA VAL 51 HA VAL 51 -2.316 1.146 -0.511 422 HB VAL 51 HB VAL 51 -2.130 -1.526 -2.004 423 HG11 VAL 51 1HG1 VAL 51 -3.880 -0.589 -3.469 424 HG12 VAL 51 2HG1 VAL 51 -3.954 0.870 -2.474 425 HG13 VAL 51 3HG1 VAL 51 -4.428 -0.689 -1.795 426 HG21 VAL 51 1HG2 VAL 51 -0.273 -0.080 -2.686 427 HG22 VAL 51 2HG2 VAL 51 -1.386 1.252 -3.012 428 HG23 VAL 51 3HG2 VAL 51 -1.456 -0.222 -3.985 429 H LYS 52 H LYS 52 -3.842 1.021 0.997 430 HA LYS 52 HA LYS 52 -4.672 -1.569 2.154 431 HB2 LYS 52 2HB LYS 52 -4.105 0.058 3.865 432 HB3 LYS 52 3HB LYS 52 -5.072 1.302 3.089 433 HG2 LYS 52 2HG LYS 52 -6.164 0.465 5.116 434 HG3 LYS 52 3HG LYS 52 -7.138 0.127 3.688 435 HD2 LYS 52 2HD LYS 52 -6.348 -2.225 3.719 436 HD3 LYS 52 3HD LYS 52 -5.370 -1.875 5.151 437 HE2 LYS 52 2HE LYS 52 -7.495 -2.980 5.745 438 HE3 LYS 52 3HE LYS 52 -7.409 -1.361 6.435 439 HZ1 LYS 52 1HZ LYS 52 -8.897 -2.134 3.982 440 HZ2 LYS 52 2HZ LYS 52 -8.809 -0.573 4.621 441 HZ3 LYS 52 3HZ LYS 52 -9.577 -1.799 5.494 442 H THR 53 H THR 53 -6.163 -2.440 0.871 443 HA THR 53 HA THR 53 -8.775 -1.334 0.652 444 HB THR 53 HB THR 53 -7.791 -0.087 -1.285 445 HG1 THR 53 HG1 THR 53 -9.917 -0.574 -1.570 446 HG21 THR 53 1HG2 THR 53 -7.065 -1.244 -3.319 447 HG22 THR 53 2HG2 THR 53 -7.283 -2.811 -2.542 448 HG23 THR 53 3HG2 THR 53 -6.030 -1.709 -1.966 449 H GLU 54 H GLU 54 -10.304 -2.949 0.074 450 HA GLU 54 HA GLU 54 -9.316 -5.730 -0.047 451 HB2 GLU 54 2HB GLU 54 -12.063 -4.569 0.576 452 HB3 GLU 54 3HB GLU 54 -11.759 -6.293 0.418 453 HG2 GLU 54 2HG GLU 54 -11.803 -5.805 2.749 454 HG3 GLU 54 3HG GLU 54 -10.128 -6.124 2.317 455 H ASP 55 H ASP 55 -10.123 -3.340 -2.183 456 HA ASP 55 HA ASP 55 -11.546 -4.854 -4.187 457 HB2 ASP 55 2HB ASP 55 -11.654 -2.355 -4.080 458 HB3 ASP 55 3HB ASP 55 -9.931 -2.260 -4.438 459 H LYS 56 H LYS 56 -10.439 -6.726 -4.542 460 HA LYS 56 HA LYS 56 -7.717 -7.251 -4.736 461 HB2 LYS 56 2HB LYS 56 -9.930 -8.661 -6.293 462 HB3 LYS 56 3HB LYS 56 -8.343 -9.325 -5.917 463 HG2 LYS 56 2HG LYS 56 -8.877 -9.356 -3.535 464 HG3 LYS 56 3HG LYS 56 -10.437 -8.590 -3.845 465 HD2 LYS 56 2HD LYS 56 -9.564 -11.333 -4.841 466 HD3 LYS 56 3HD LYS 56 -10.674 -11.028 -3.503 467 HE2 LYS 56 2HE LYS 56 -12.254 -9.937 -5.093 468 HE3 LYS 56 3HE LYS 56 -11.149 -10.306 -6.421 469 HZ1 LYS 56 1HZ LYS 56 -12.500 -12.305 -4.680 470 HZ2 LYS 56 2HZ LYS 56 -11.430 -12.668 -5.936 471 HZ3 LYS 56 3HZ LYS 56 -12.916 -11.944 -6.278 472 H GLU 57 H GLU 57 -9.895 -6.026 -7.177 473 HA GLU 57 HA GLU 57 -8.212 -6.471 -9.467 474 HB2 GLU 57 2HB GLU 57 -10.702 -4.743 -9.086 475 HB3 GLU 57 3HB GLU 57 -9.974 -5.130 -10.643 476 HG2 GLU 57 2HG GLU 57 -10.516 -7.478 -10.396 477 HG3 GLU 57 3HG GLU 57 -11.038 -7.236 -8.730 478 H SER 58 H SER 58 -8.846 -3.736 -7.281 479 HA SER 58 HA SER 58 -7.252 -1.794 -8.644 480 HB2 SER 58 2HB SER 58 -8.833 -1.070 -6.912 481 HB3 SER 58 3HB SER 58 -7.987 -2.008 -5.683 482 HG SER 58 HG SER 58 -7.105 -0.083 -5.399 483 H ILE 59 H ILE 59 -6.618 -3.964 -5.904 484 HA ILE 59 HA ILE 59 -3.954 -3.475 -5.311 485 HB ILE 59 HB ILE 59 -5.460 -6.143 -5.260 486 HG12 ILE 59 2HG1 ILE 59 -4.919 -4.208 -2.947 487 HG13 ILE 59 3HG1 ILE 59 -6.442 -4.328 -3.818 488 HG21 ILE 59 1HG2 ILE 59 -3.757 -6.950 -3.649 489 HG22 ILE 59 2HG2 ILE 59 -2.826 -5.475 -3.907 490 HG23 ILE 59 3HG2 ILE 59 -3.068 -6.605 -5.235 491 HD11 ILE 59 1HD1 ILE 59 -6.571 -5.489 -1.712 492 HD12 ILE 59 2HD1 ILE 59 -5.188 -6.495 -2.134 493 HD13 ILE 59 3HD1 ILE 59 -6.698 -6.644 -3.038 494 H SER 60 H SER 60 -5.361 -5.678 -7.654 495 HA SER 60 HA SER 60 -3.182 -7.007 -8.685 496 HB2 SER 60 2HB SER 60 -5.545 -7.594 -9.159 497 HB3 SER 60 3HB SER 60 -5.719 -6.139 -10.137 498 HG SER 60 HG SER 60 -3.627 -7.752 -10.874 499 H GLU 61 H GLU 61 -4.629 -3.940 -9.885 500 HA GLU 61 HA GLU 61 -2.912 -3.661 -12.133 501 HB2 GLU 61 2HB GLU 61 -4.529 -1.463 -10.765 502 HB3 GLU 61 3HB GLU 61 -3.844 -1.396 -12.387 503 HG2 GLU 61 2HG GLU 61 -6.175 -3.032 -11.393 504 HG3 GLU 61 3HG GLU 61 -6.138 -1.847 -12.693 505 H ILE 62 H ILE 62 -2.852 -2.181 -8.874 506 HA ILE 62 HA ILE 62 -0.653 -0.469 -9.265 507 HB ILE 62 HB ILE 62 -1.855 -1.696 -6.756 508 HG12 ILE 62 2HG1 ILE 62 -2.178 0.758 -6.120 509 HG13 ILE 62 3HG1 ILE 62 -1.534 1.217 -7.688 510 HG21 ILE 62 1HG2 ILE 62 0.520 -1.730 -6.232 511 HG22 ILE 62 2HG2 ILE 62 -0.251 -0.436 -5.324 512 HG23 ILE 62 3HG2 ILE 62 0.706 -0.053 -6.754 513 HD11 ILE 62 1HD1 ILE 62 -4.077 -0.320 -7.172 514 HD12 ILE 62 2HD1 ILE 62 -3.440 0.094 -8.766 515 HD13 ILE 62 3HD1 ILE 62 -3.937 1.371 -7.656 516 H ILE 63 H ILE 63 -0.713 -3.868 -8.052 517 HA ILE 63 HA ILE 63 2.053 -4.160 -7.596 518 HB ILE 63 HB ILE 63 0.018 -6.315 -8.334 519 HG12 ILE 63 2HG1 ILE 63 1.071 -5.474 -5.581 520 HG13 ILE 63 3HG1 ILE 63 -0.522 -5.087 -6.225 521 HG21 ILE 63 1HG2 ILE 63 2.801 -6.674 -7.139 522 HG22 ILE 63 2HG2 ILE 63 2.295 -7.140 -8.765 523 HG23 ILE 63 3HG2 ILE 63 1.605 -7.955 -7.364 524 HD11 ILE 63 1HD1 ILE 63 -0.641 -6.919 -4.669 525 HD12 ILE 63 2HD1 ILE 63 0.519 -7.848 -5.615 526 HD13 ILE 63 3HD1 ILE 63 -1.072 -7.469 -6.286 527 H LYS 64 H LYS 64 0.108 -4.781 -10.542 528 HA LYS 64 HA LYS 64 2.070 -5.881 -12.223 529 HB2 LYS 64 2HB LYS 64 -0.279 -4.060 -12.920 530 HB3 LYS 64 3HB LYS 64 0.683 -4.915 -14.124 531 HG2 LYS 64 2HG LYS 64 -0.078 -7.058 -13.329 532 HG3 LYS 64 3HG LYS 64 -0.861 -6.321 -11.926 533 HD2 LYS 64 2HD LYS 64 -2.441 -5.136 -13.431 534 HD3 LYS 64 3HD LYS 64 -1.658 -5.877 -14.833 535 HE2 LYS 64 2HE LYS 64 -2.336 -8.105 -14.055 536 HE3 LYS 64 3HE LYS 64 -3.060 -7.395 -12.609 537 HZ1 LYS 64 1HZ LYS 64 -4.623 -6.200 -14.021 538 HZ2 LYS 64 2HZ LYS 64 -4.728 -7.865 -14.280 539 HZ3 LYS 64 3HZ LYS 64 -3.934 -6.888 -15.406 540 H GLN 65 H GLN 65 1.246 -2.497 -11.563 541 HA GLN 65 HA GLN 65 3.148 -1.282 -13.299 542 HB2 GLN 65 2HB GLN 65 1.789 -0.189 -10.797 543 HB3 GLN 65 3HB GLN 65 2.689 0.785 -11.955 544 HG2 GLN 65 2HG GLN 65 0.093 -0.696 -12.447 545 HG3 GLN 65 3HG GLN 65 0.320 1.050 -12.330 546 HE21 GLN 65 1HE2 GLN 65 1.449 2.112 -14.016 547 HE22 GLN 65 2HE2 GLN 65 1.560 1.424 -15.599 548 H VAL 66 H VAL 66 3.321 -2.387 -9.937 549 HA VAL 66 HA VAL 66 5.888 -1.219 -9.366 550 HB VAL 66 HB VAL 66 4.304 -3.368 -7.876 551 HG11 VAL 66 1HG1 VAL 66 5.764 -2.874 -5.939 552 HG12 VAL 66 2HG1 VAL 66 6.748 -1.814 -6.946 553 HG13 VAL 66 3HG1 VAL 66 6.670 -3.542 -7.292 554 HG21 VAL 66 1HG2 VAL 66 3.674 -1.550 -6.324 555 HG22 VAL 66 2HG2 VAL 66 3.131 -1.200 -7.962 556 HG23 VAL 66 3HG2 VAL 66 4.551 -0.378 -7.313 557 H LEU 67 H LEU 67 4.782 -4.294 -10.673 558 HA LEU 67 HA LEU 67 7.281 -5.702 -10.490 559 HB2 LEU 67 2HB LEU 67 4.861 -6.148 -12.305 560 HB3 LEU 67 3HB LEU 67 6.242 -7.233 -12.236 561 HG LEU 67 HG LEU 67 4.341 -6.656 -9.928 562 HD11 LEU 67 1HD1 LEU 67 3.236 -7.955 -11.669 563 HD12 LEU 67 2HD1 LEU 67 3.509 -8.943 -10.236 564 HD13 LEU 67 3HD1 LEU 67 4.543 -9.145 -11.655 565 HD21 LEU 67 1HD2 LEU 67 5.483 -8.498 -8.741 566 HD22 LEU 67 2HD2 LEU 67 6.565 -7.147 -9.069 567 HD23 LEU 67 3HD2 LEU 67 6.664 -8.610 -10.052 568 H ASP 68 H ASP 68 5.616 -3.766 -12.918 569 HA ASP 68 HA ASP 68 7.471 -3.867 -15.028 570 HB2 ASP 68 2HB ASP 68 5.164 -3.088 -15.345 571 HB3 ASP 68 3HB ASP 68 5.405 -1.755 -14.225 572 H SER 69 H SER 69 7.176 -1.648 -12.240 573 HA SER 69 HA SER 69 9.353 0.069 -13.144 574 HB2 SER 69 2HB SER 69 8.802 1.422 -11.123 575 HB3 SER 69 3HB SER 69 7.377 1.101 -12.111 576 HG SER 69 HG SER 69 6.518 0.158 -10.457 577 H GLY 70 H GLY 70 9.000 -2.673 -11.083 578 HA2 GLY 70 2HA GLY 70 10.446 -3.859 -9.747 579 HA3 GLY 70 3HA GLY 70 11.759 -2.872 -10.379 580 H ALA 71 H ALA 71 8.894 -1.645 -8.711 581 HA ALA 71 HA ALA 71 10.541 -0.264 -6.716 582 HB1 ALA 71 1HB ALA 71 8.445 0.907 -6.132 583 HB2 ALA 71 2HB ALA 71 7.536 -0.152 -7.216 584 HB3 ALA 71 3HB ALA 71 8.735 0.964 -7.872 585 H LYS 72 H LYS 72 9.332 -0.151 -4.399 586 HA LYS 72 HA LYS 72 8.870 -2.944 -3.478 587 HB2 LYS 72 2HB LYS 72 9.468 -0.379 -1.935 588 HB3 LYS 72 3HB LYS 72 8.924 -1.843 -1.136 589 HG2 LYS 72 2HG LYS 72 11.298 -1.722 -0.894 590 HG3 LYS 72 3HG LYS 72 10.943 -3.033 -2.018 591 HD2 LYS 72 2HD LYS 72 12.868 -1.767 -2.793 592 HD3 LYS 72 3HD LYS 72 11.523 -1.546 -3.915 593 HE2 LYS 72 2HE LYS 72 11.039 0.656 -2.880 594 HE3 LYS 72 3HE LYS 72 12.401 0.428 -1.775 595 HZ1 LYS 72 1HZ LYS 72 12.963 1.808 -3.695 596 HZ2 LYS 72 2HZ LYS 72 12.607 0.529 -4.736 597 HZ3 LYS 72 3HZ LYS 72 13.893 0.398 -3.652 598 H VAL 73 H VAL 73 6.883 -3.581 -2.575 599 HA VAL 73 HA VAL 73 4.775 -1.580 -2.198 600 HB VAL 73 HB VAL 73 4.445 -2.262 -4.519 601 HG11 VAL 73 1HG1 VAL 73 4.274 -5.120 -3.522 602 HG12 VAL 73 2HG1 VAL 73 5.533 -4.423 -4.541 603 HG13 VAL 73 3HG1 VAL 73 3.890 -4.588 -5.163 604 HG21 VAL 73 1HG2 VAL 73 2.434 -1.751 -3.198 605 HG22 VAL 73 2HG2 VAL 73 2.279 -3.447 -2.731 606 HG23 VAL 73 3HG2 VAL 73 2.078 -2.974 -4.421 607 H LEU 74 H LEU 74 3.471 -1.993 -0.542 608 HA LEU 74 HA LEU 74 3.396 -4.703 0.664 609 HB2 LEU 74 2HB LEU 74 4.574 -3.112 2.149 610 HB3 LEU 74 3HB LEU 74 3.222 -1.995 2.050 611 HG LEU 74 HG LEU 74 1.772 -3.682 3.204 612 HD11 LEU 74 1HD1 LEU 74 2.762 -5.593 4.361 613 HD12 LEU 74 2HD1 LEU 74 4.318 -5.276 3.588 614 HD13 LEU 74 3HD1 LEU 74 2.920 -5.739 2.611 615 HD21 LEU 74 1HD2 LEU 74 2.802 -1.872 4.483 616 HD22 LEU 74 2HD2 LEU 74 4.242 -2.855 4.766 617 HD23 LEU 74 3HD2 LEU 74 2.689 -3.338 5.456 618 H ILE 75 H ILE 75 1.460 -5.562 0.235 619 HA ILE 75 HA ILE 75 -0.915 -3.883 -0.137 620 HB ILE 75 HB ILE 75 -0.459 -6.862 -0.623 621 HG12 ILE 75 2HG1 ILE 75 0.625 -5.491 -2.305 622 HG13 ILE 75 3HG1 ILE 75 -0.802 -6.216 -3.030 623 HG21 ILE 75 1HG2 ILE 75 -2.720 -6.947 -1.630 624 HG22 ILE 75 2HG2 ILE 75 -3.023 -5.287 -1.106 625 HG23 ILE 75 3HG2 ILE 75 -2.787 -6.562 0.092 626 HD11 ILE 75 1HD1 ILE 75 -1.986 -4.058 -2.790 627 HD12 ILE 75 2HD1 ILE 75 -0.526 -3.928 -3.766 628 HD13 ILE 75 3HD1 ILE 75 -0.522 -3.347 -2.102 629 H LEU 76 H LEU 76 -2.260 -3.572 1.434 630 HA LEU 76 HA LEU 76 -2.428 -5.371 3.764 631 HB2 LEU 76 2HB LEU 76 -2.768 -2.331 3.627 632 HB3 LEU 76 3HB LEU 76 -3.029 -3.307 5.067 633 HG LEU 76 HG LEU 76 -0.353 -2.986 3.640 634 HD11 LEU 76 1HD1 LEU 76 -1.249 -1.768 6.269 635 HD12 LEU 76 2HD1 LEU 76 -1.012 -0.902 4.751 636 HD13 LEU 76 3HD1 LEU 76 0.365 -1.650 5.557 637 HD21 LEU 76 1HD2 LEU 76 -0.533 -5.164 4.711 638 HD22 LEU 76 2HD2 LEU 76 -1.015 -4.411 6.233 639 HD23 LEU 76 3HD2 LEU 76 0.606 -4.144 5.587 640 H SER 77 H SER 77 -4.351 -6.379 3.801 641 HA SER 77 HA SER 77 -6.806 -4.971 2.946 642 HB2 SER 77 2HB SER 77 -6.194 -7.879 2.198 643 HB3 SER 77 3HB SER 77 -7.615 -6.939 1.738 644 HG SER 77 HG SER 77 -5.969 -5.494 0.700 645 H SER 78 H SER 78 -8.564 -5.493 4.216 646 HA SER 78 HA SER 78 -8.065 -6.441 6.852 647 HB2 SER 78 2HB SER 78 -10.736 -5.917 5.479 648 HB3 SER 78 3HB SER 78 -10.449 -5.994 7.223 649 HG SER 78 HG SER 78 -9.105 -4.157 5.539 650 H ASP 79 H ASP 79 -9.574 -7.801 3.981 651 HA ASP 79 HA ASP 79 -10.333 -10.273 5.303 652 HB2 ASP 79 2HB ASP 79 -11.734 -9.262 3.501 653 HB3 ASP 79 3HB ASP 79 -10.438 -9.539 2.341 654 H GLU 80 H GLU 80 -8.980 -11.872 5.615 655 HA GLU 80 HA GLU 80 -6.248 -11.834 4.751 656 HB2 GLU 80 2HB GLU 80 -6.072 -13.959 6.065 657 HB3 GLU 80 3HB GLU 80 -6.806 -12.639 6.976 658 HG2 GLU 80 2HG GLU 80 -9.029 -13.567 6.641 659 HG3 GLU 80 3HG GLU 80 -8.384 -14.822 5.584 660 H ASN 81 H ASN 81 -9.136 -13.376 3.517 661 HA ASN 81 HA ASN 81 -7.845 -15.512 2.072 662 HB2 ASN 81 2HB ASN 81 -10.595 -14.336 1.442 663 HB3 ASN 81 3HB ASN 81 -10.010 -15.957 1.081 664 HD21 ASN 81 1HD2 ASN 81 -11.220 -13.824 3.546 665 HD22 ASN 81 2HD2 ASN 81 -11.541 -15.032 4.737 666 H ILE 82 H ILE 82 -8.807 -12.194 1.438 667 HA ILE 82 HA ILE 82 -8.157 -12.050 -1.324 668 HB ILE 82 HB ILE 82 -8.358 -9.912 0.852 669 HG12 ILE 82 2HG1 ILE 82 -10.142 -10.553 -1.553 670 HG13 ILE 82 3HG1 ILE 82 -10.476 -11.000 0.115 671 HG21 ILE 82 1HG2 ILE 82 -8.224 -8.165 -0.915 672 HG22 ILE 82 2HG2 ILE 82 -7.779 -9.402 -2.093 673 HG23 ILE 82 3HG2 ILE 82 -6.712 -9.055 -0.736 674 HD11 ILE 82 1HD1 ILE 82 -10.367 -8.209 -1.001 675 HD12 ILE 82 2HD1 ILE 82 -10.629 -8.620 0.696 676 HD13 ILE 82 3HD1 ILE 82 -11.802 -9.116 -0.523 677 H ILE 83 H ILE 83 -6.294 -11.203 1.659 678 HA ILE 83 HA ILE 83 -3.849 -10.541 0.490 679 HB ILE 83 HB ILE 83 -4.446 -11.888 3.162 680 HG12 ILE 83 2HG1 ILE 83 -5.216 -9.550 2.881 681 HG13 ILE 83 3HG1 ILE 83 -3.960 -9.660 4.106 682 HG21 ILE 83 1HG2 ILE 83 -1.708 -10.900 2.276 683 HG22 ILE 83 2HG2 ILE 83 -2.153 -12.571 2.616 684 HG23 ILE 83 3HG2 ILE 83 -2.140 -11.381 3.917 685 HD11 ILE 83 1HD1 ILE 83 -3.677 -7.682 2.727 686 HD12 ILE 83 2HD1 ILE 83 -3.586 -8.667 1.269 687 HD13 ILE 83 3HD1 ILE 83 -2.316 -8.778 2.493 688 H GLU 84 H GLU 84 -5.066 -13.786 1.299 689 HA GLU 84 HA GLU 84 -2.698 -15.217 0.594 690 HB2 GLU 84 2HB GLU 84 -4.444 -16.014 2.201 691 HB3 GLU 84 3HB GLU 84 -5.567 -16.230 0.864 692 HG2 GLU 84 2HG GLU 84 -4.370 -18.063 -0.009 693 HG3 GLU 84 3HG GLU 84 -2.907 -17.665 0.887 694 H SER 85 H SER 85 -5.634 -14.294 -1.190 695 HA SER 85 HA SER 85 -5.129 -15.788 -3.567 696 HB2 SER 85 2HB SER 85 -7.388 -14.909 -3.014 697 HB3 SER 85 3HB SER 85 -6.794 -13.256 -3.173 698 HG SER 85 HG SER 85 -7.646 -14.963 -5.096 699 H ILE 86 H ILE 86 -4.232 -12.561 -2.436 700 HA ILE 86 HA ILE 86 -3.035 -11.655 -4.861 701 HB ILE 86 HB ILE 86 -2.648 -10.666 -1.989 702 HG12 ILE 86 2HG1 ILE 86 -4.961 -10.381 -2.695 703 HG13 ILE 86 3HG1 ILE 86 -4.196 -8.805 -2.682 704 HG21 ILE 86 1HG2 ILE 86 -1.753 -8.572 -2.940 705 HG22 ILE 86 2HG2 ILE 86 -1.807 -9.270 -4.560 706 HG23 ILE 86 3HG2 ILE 86 -0.732 -9.953 -3.339 707 HD11 ILE 86 1HD1 ILE 86 -5.666 -9.013 -4.572 708 HD12 ILE 86 2HD1 ILE 86 -4.843 -10.475 -5.117 709 HD13 ILE 86 3HD1 ILE 86 -4.000 -8.921 -5.143 710 H ARG 87 H ARG 87 -1.911 -13.578 -2.140 711 HA ARG 87 HA ARG 87 0.882 -13.511 -2.783 712 HB2 ARG 87 2HB ARG 87 -0.741 -15.504 -1.150 713 HB3 ARG 87 3HB ARG 87 1.010 -15.600 -1.336 714 HG2 ARG 87 2HG ARG 87 1.099 -13.225 -0.378 715 HG3 ARG 87 3HG ARG 87 -0.599 -13.446 0.052 716 HD2 ARG 87 2HD ARG 87 1.698 -15.197 0.990 717 HD3 ARG 87 3HD ARG 87 0.929 -13.927 1.939 718 HE ARG 87 HE ARG 87 -0.383 -16.439 1.074 719 HH11 ARG 87 1HH1 ARG 87 -0.131 -13.789 3.392 720 HH12 ARG 87 2HH1 ARG 87 -1.298 -14.471 4.477 721 HH21 ARG 87 1HH2 ARG 87 -1.858 -17.349 2.578 722 HH22 ARG 87 2HH2 ARG 87 -2.265 -16.473 4.016 723 H LYS 88 H LYS 88 -1.758 -15.808 -3.636 724 HA LYS 88 HA LYS 88 -0.031 -17.642 -4.996 725 HB2 LYS 88 2HB LYS 88 -2.006 -18.781 -5.796 726 HB3 LYS 88 3HB LYS 88 -2.280 -18.300 -4.131 727 HG2 LYS 88 2HG LYS 88 -3.693 -16.450 -4.876 728 HG3 LYS 88 3HG LYS 88 -3.388 -16.863 -6.559 729 HD2 LYS 88 2HD LYS 88 -4.769 -18.719 -4.576 730 HD3 LYS 88 3HD LYS 88 -5.624 -17.615 -5.649 731 HE2 LYS 88 2HE LYS 88 -5.705 -19.746 -6.691 732 HE3 LYS 88 3HE LYS 88 -4.505 -18.826 -7.594 733 HZ1 LYS 88 1HZ LYS 88 -3.826 -21.119 -7.123 734 HZ2 LYS 88 2HZ LYS 88 -3.881 -20.806 -5.468 735 HZ3 LYS 88 3HZ LYS 88 -2.760 -20.001 -6.443 736 H GLN 89 H GLN 89 -1.977 -14.886 -6.135 737 HA GLN 89 HA GLN 89 -1.356 -15.182 -8.913 738 HB2 GLN 89 2HB GLN 89 -2.388 -12.811 -7.297 739 HB3 GLN 89 3HB GLN 89 -2.257 -12.818 -9.055 740 HG2 GLN 89 2HG GLN 89 -3.913 -14.588 -9.229 741 HG3 GLN 89 3HG GLN 89 -3.953 -14.768 -7.477 742 HE21 GLN 89 1HE2 GLN 89 -5.123 -13.293 -6.246 743 HE22 GLN 89 2HE2 GLN 89 -6.178 -12.116 -6.931 744 H TYR 90 H TYR 90 0.082 -13.373 -6.223 745 HA TYR 90 HA TYR 90 2.407 -12.616 -7.881 746 HB2 TYR 90 2HB TYR 90 1.067 -10.691 -5.916 747 HB3 TYR 90 3HB TYR 90 2.403 -10.337 -7.007 748 HD1 TYR 90 HD1 TYR 90 1.915 -10.358 -9.550 749 HD2 TYR 90 HD2 TYR 90 -1.204 -10.329 -6.623 750 HE1 TYR 90 HE1 TYR 90 0.318 -9.597 -11.253 751 HE2 TYR 90 HE2 TYR 90 -2.798 -9.573 -8.335 752 HH TYR 90 HH TYR 90 -2.158 -9.700 -11.622 753 HA PRO 91 HA PRO 91 3.970 -14.440 -3.899 754 HB2 PRO 91 2HB PRO 91 6.218 -15.596 -4.964 755 HB3 PRO 91 3HB PRO 91 4.619 -16.363 -5.048 756 HG2 PRO 91 2HG PRO 91 6.052 -14.769 -7.155 757 HG3 PRO 91 3HG PRO 91 5.171 -16.307 -7.313 758 HD2 PRO 91 2HD PRO 91 4.056 -13.924 -7.993 759 HD3 PRO 91 3HD PRO 91 3.093 -15.273 -7.349 760 H LYS 92 H LYS 92 5.410 -12.309 -6.287 761 HA LYS 92 HA LYS 92 7.809 -11.620 -4.976 762 HB2 LYS 92 2HB LYS 92 6.226 -9.954 -6.976 763 HB3 LYS 92 3HB LYS 92 7.934 -9.775 -6.605 764 HG2 LYS 92 2HG LYS 92 6.775 -12.281 -7.866 765 HG3 LYS 92 3HG LYS 92 7.321 -10.897 -8.803 766 HD2 LYS 92 2HD LYS 92 9.163 -12.325 -8.893 767 HD3 LYS 92 3HD LYS 92 9.602 -11.222 -7.594 768 HE2 LYS 92 2HE LYS 92 8.993 -12.907 -5.926 769 HE3 LYS 92 3HE LYS 92 8.429 -13.999 -7.197 770 HZ1 LYS 92 1HZ LYS 92 10.673 -14.554 -6.444 771 HZ2 LYS 92 2HZ LYS 92 11.224 -13.022 -6.887 772 HZ3 LYS 92 3HZ LYS 92 10.677 -14.095 -8.071 773 H VAL 93 H VAL 93 4.551 -10.378 -4.598 774 HA VAL 93 HA VAL 93 5.332 -7.827 -3.471 775 HB VAL 93 HB VAL 93 3.277 -7.927 -4.772 776 HG11 VAL 93 1HG1 VAL 93 2.584 -10.234 -4.352 777 HG12 VAL 93 2HG1 VAL 93 1.256 -9.119 -4.037 778 HG13 VAL 93 3HG1 VAL 93 2.153 -9.831 -2.690 779 HG21 VAL 93 1HG2 VAL 93 2.547 -7.417 -1.860 780 HG22 VAL 93 2HG2 VAL 93 1.747 -6.748 -3.287 781 HG23 VAL 93 3HG2 VAL 93 3.400 -6.283 -2.905 782 H GLU 94 H GLU 94 5.587 -7.281 -1.338 783 HA GLU 94 HA GLU 94 5.211 -9.136 0.809 784 HB2 GLU 94 2HB GLU 94 5.961 -6.227 0.569 785 HB3 GLU 94 3HB GLU 94 5.364 -6.764 2.132 786 HG2 GLU 94 2HG GLU 94 7.691 -8.079 0.701 787 HG3 GLU 94 3HG GLU 94 7.869 -6.740 1.839 788 H THR 95 H THR 95 3.311 -9.738 1.539 789 HA THR 95 HA THR 95 0.980 -7.895 1.476 790 HB THR 95 HB THR 95 -0.393 -10.068 1.437 791 HG1 THR 95 HG1 THR 95 1.942 -11.304 0.435 792 HG21 THR 95 1HG2 THR 95 -0.125 -8.718 -0.619 793 HG22 THR 95 2HG2 THR 95 -0.144 -10.442 -0.995 794 HG23 THR 95 3HG2 THR 95 1.384 -9.556 -0.982 795 H ARG 96 H ARG 96 -0.438 -8.015 3.273 796 HA ARG 96 HA ARG 96 0.124 -9.614 5.607 797 HB2 ARG 96 2HB ARG 96 1.882 -7.955 5.902 798 HB3 ARG 96 3HB ARG 96 0.768 -6.631 5.593 799 HG2 ARG 96 2HG ARG 96 -0.403 -7.103 7.708 800 HG3 ARG 96 3HG ARG 96 0.685 -8.463 8.019 801 HD2 ARG 96 2HD ARG 96 2.604 -6.935 8.090 802 HD3 ARG 96 3HD ARG 96 1.552 -5.568 7.713 803 HE ARG 96 HE ARG 96 0.420 -6.423 9.965 804 HH11 ARG 96 1HH1 ARG 96 3.827 -5.953 9.199 805 HH12 ARG 96 2HH1 ARG 96 4.267 -5.548 10.826 806 HH21 ARG 96 1HH2 ARG 96 1.019 -5.823 12.105 807 HH22 ARG 96 2HH2 ARG 96 2.682 -5.476 12.466 808 H ARG 97 H ARG 97 -1.746 -9.882 6.722 809 HA ARG 97 HA ARG 97 -4.184 -8.597 5.992 810 HB2 ARG 97 2HB ARG 97 -4.027 -10.904 7.060 811 HB3 ARG 97 3HB ARG 97 -3.610 -10.121 8.583 812 HG2 ARG 97 2HG ARG 97 -5.895 -8.795 8.145 813 HG3 ARG 97 3HG ARG 97 -6.257 -10.194 7.132 814 HD2 ARG 97 2HD ARG 97 -7.197 -10.651 9.267 815 HD3 ARG 97 3HD ARG 97 -5.731 -11.640 9.189 816 HE ARG 97 HE ARG 97 -4.845 -9.377 10.386 817 HH11 ARG 97 1HH1 ARG 97 -7.592 -11.476 11.108 818 HH12 ARG 97 2HH1 ARG 97 -7.560 -11.121 12.806 819 HH21 ARG 97 1HH2 ARG 97 -4.864 -8.894 12.615 820 HH22 ARG 97 2HH2 ARG 97 -6.020 -9.665 13.656 821 H ALA 98 H ALA 98 -4.931 -6.658 6.660 822 HA ALA 98 HA ALA 98 -4.203 -5.544 9.284 823 HB1 ALA 98 1HB ALA 98 -3.861 -4.004 6.681 824 HB2 ALA 98 2HB ALA 98 -2.551 -4.584 7.713 825 HB3 ALA 98 3HB ALA 98 -3.664 -3.351 8.311 826 H GLN 99 H GLN 99 -6.151 -5.453 10.127 827 HA GLN 99 HA GLN 99 -8.545 -4.834 8.494 828 HB2 GLN 99 2HB GLN 99 -8.321 -6.017 11.307 829 HB3 GLN 99 3HB GLN 99 -9.817 -5.818 10.392 830 HG2 GLN 99 2HG GLN 99 -8.971 -7.391 8.690 831 HG3 GLN 99 3HG GLN 99 -7.495 -7.616 9.626 832 HE21 GLN 99 1HE2 GLN 99 -9.573 -9.534 8.796 833 HE22 GLN 99 2HE2 GLN 99 -10.091 -10.312 10.249 834 H ASP 100 H ASP 100 -7.068 -4.079 11.611 835 HA ASP 100 HA ASP 100 -8.745 -1.718 11.994 836 HB2 ASP 100 2HB ASP 100 -8.141 -3.433 13.857 837 HB3 ASP 100 3HB ASP 100 -6.545 -2.693 13.884 838 H LYS 101 H LYS 101 -7.914 0.317 12.287 839 HA LYS 101 HA LYS 101 -6.114 1.394 10.518 840 HB2 LYS 101 2HB LYS 101 -6.279 3.452 11.914 841 HB3 LYS 101 3HB LYS 101 -7.846 2.675 11.687 842 HG2 LYS 101 2HG LYS 101 -7.505 1.557 13.938 843 HG3 LYS 101 3HG LYS 101 -6.097 2.596 14.157 844 HD2 LYS 101 2HD LYS 101 -7.545 4.595 14.058 845 HD3 LYS 101 3HD LYS 101 -8.962 3.568 13.787 846 HE2 LYS 101 2HE LYS 101 -7.179 3.479 16.244 847 HE3 LYS 101 3HE LYS 101 -8.755 4.276 16.155 848 HZ1 LYS 101 1HZ LYS 101 -8.911 2.075 17.153 849 HZ2 LYS 101 2HZ LYS 101 -8.262 1.368 15.761 850 HZ3 LYS 101 3HZ LYS 101 -9.768 2.132 15.697 851 H GLU 102 H GLU 102 -5.440 0.142 13.739 852 HA GLU 102 HA GLU 102 -2.847 1.317 14.052 853 HB2 GLU 102 2HB GLU 102 -2.553 -0.241 15.963 854 HB3 GLU 102 3HB GLU 102 -4.059 0.663 16.045 855 HG2 GLU 102 2HG GLU 102 -5.380 -1.226 15.553 856 HG3 GLU 102 3HG GLU 102 -4.011 -2.140 14.916 857 H GLU 103 H GLU 103 -3.996 -1.843 12.964 858 HA GLU 103 HA GLU 103 -1.509 -3.123 12.653 859 HB2 GLU 103 2HB GLU 103 -4.088 -3.610 11.102 860 HB3 GLU 103 3HB GLU 103 -2.702 -4.698 11.142 861 HG2 GLU 103 2HG GLU 103 -3.057 -5.020 13.584 862 HG3 GLU 103 3HG GLU 103 -4.479 -3.977 13.494 863 H VAL 104 H VAL 104 -3.343 -0.999 10.523 864 HA VAL 104 HA VAL 104 -1.809 -1.500 8.160 865 HB VAL 104 HB VAL 104 -3.506 0.965 8.778 866 HG11 VAL 104 1HG1 VAL 104 -2.654 -0.232 6.114 867 HG12 VAL 104 2HG1 VAL 104 -2.046 1.258 6.838 868 HG13 VAL 104 3HG1 VAL 104 -3.724 1.148 6.328 869 HG21 VAL 104 1HG2 VAL 104 -4.874 -1.044 9.114 870 HG22 VAL 104 2HG2 VAL 104 -4.436 -1.644 7.513 871 HG23 VAL 104 3HG2 VAL 104 -5.390 -0.168 7.673 872 H LYS 105 H LYS 105 -1.929 1.306 10.423 873 HA LYS 105 HA LYS 105 0.084 2.785 9.092 874 HB2 LYS 105 2HB LYS 105 0.032 4.315 11.017 875 HB3 LYS 105 3HB LYS 105 -1.589 3.890 10.489 876 HG2 LYS 105 2HG LYS 105 -1.743 2.262 12.380 877 HG3 LYS 105 3HG LYS 105 -0.151 2.798 12.930 878 HD2 LYS 105 2HD LYS 105 -1.045 5.098 13.239 879 HD3 LYS 105 3HD LYS 105 -2.635 4.550 12.700 880 HE2 LYS 105 2HE LYS 105 -2.766 3.016 14.633 881 HE3 LYS 105 3HE LYS 105 -1.172 3.556 15.172 882 HZ1 LYS 105 1HZ LYS 105 -2.025 5.744 15.531 883 HZ2 LYS 105 2HZ LYS 105 -3.043 4.655 16.319 884 HZ3 LYS 105 3HZ LYS 105 -3.520 5.345 14.854 885 H ASP 106 H ASP 106 0.278 0.564 11.843 886 HA ASP 106 HA ASP 106 3.056 0.931 12.358 887 HB2 ASP 106 2HB ASP 106 1.065 -1.254 13.077 888 HB3 ASP 106 3HB ASP 106 2.761 -1.339 13.557 889 H ALA 107 H ALA 107 1.256 -1.302 10.230 890 HA ALA 107 HA ALA 107 3.411 -2.973 9.442 891 HB1 ALA 107 1HB ALA 107 2.013 -3.517 7.474 892 HB2 ALA 107 2HB ALA 107 0.943 -2.163 7.863 893 HB3 ALA 107 3HB ALA 107 1.072 -3.534 8.965 894 H VAL 108 H VAL 108 2.227 0.122 8.288 895 HA VAL 108 HA VAL 108 3.873 0.500 6.027 896 HB VAL 108 HB VAL 108 2.613 2.540 7.932 897 HG11 VAL 108 1HG1 VAL 108 4.491 3.619 6.766 898 HG12 VAL 108 2HG1 VAL 108 2.952 4.257 6.195 899 HG13 VAL 108 3HG1 VAL 108 3.849 3.102 5.205 900 HG21 VAL 108 1HG2 VAL 108 1.695 1.597 5.185 901 HG22 VAL 108 2HG2 VAL 108 0.887 2.798 6.196 902 HG23 VAL 108 3HG2 VAL 108 0.987 1.123 6.731 903 H GLU 109 H GLU 109 4.237 1.507 9.415 904 HA GLU 109 HA GLU 109 6.717 2.792 9.289 905 HB2 GLU 109 2HB GLU 109 5.205 3.017 11.199 906 HB3 GLU 109 3HB GLU 109 5.371 1.309 11.580 907 HG2 GLU 109 2HG GLU 109 7.886 1.820 11.956 908 HG3 GLU 109 3HG GLU 109 7.400 3.522 11.944 909 H GLU 110 H GLU 110 5.958 -0.626 9.825 910 HA GLU 110 HA GLU 110 8.601 -1.517 10.490 911 HB2 GLU 110 2HB GLU 110 6.162 -3.044 9.498 912 HB3 GLU 110 3HB GLU 110 7.626 -3.808 10.124 913 HG2 GLU 110 2HG GLU 110 7.250 -2.808 12.322 914 HG3 GLU 110 3HG GLU 110 5.857 -1.920 11.700 915 H PHE 111 H PHE 111 6.706 -1.309 7.552 916 HA PHE 111 HA PHE 111 8.475 -2.699 5.817 917 HB2 PHE 111 2HB PHE 111 5.989 -2.128 5.428 918 HB3 PHE 111 3HB PHE 111 6.521 -0.509 4.993 919 HD1 PHE 111 HD1 PHE 111 7.114 -4.118 4.121 920 HD2 PHE 111 HD2 PHE 111 7.011 -0.084 2.701 921 HE1 PHE 111 HE1 PHE 111 7.430 -4.906 1.817 922 HE2 PHE 111 HE2 PHE 111 7.329 -0.891 0.398 923 HZ PHE 111 HZ PHE 111 7.535 -3.305 -0.046 924 H LEU 112 H LEU 112 8.314 0.536 7.061 925 HA LEU 112 HA LEU 112 10.409 1.665 5.407 926 HB2 LEU 112 2HB LEU 112 9.055 2.653 7.950 927 HB3 LEU 112 3HB LEU 112 10.168 3.613 6.982 928 HG LEU 112 HG LEU 112 7.547 2.493 5.902 929 HD11 LEU 112 1HD1 LEU 112 7.053 4.073 7.706 930 HD12 LEU 112 2HD1 LEU 112 6.576 4.713 6.137 931 HD13 LEU 112 3HD1 LEU 112 8.047 5.303 6.918 932 HD21 LEU 112 1HD2 LEU 112 9.217 2.942 4.188 933 HD22 LEU 112 2HD2 LEU 112 9.415 4.593 4.781 934 HD23 LEU 112 3HD2 LEU 112 7.878 4.082 4.076 935 H LYS 113 H LYS 113 10.230 0.259 8.718 936 HA LYS 113 HA LYS 113 12.769 0.915 9.673 937 HB2 LYS 113 2HB LYS 113 11.029 -1.533 10.231 938 HB3 LYS 113 3HB LYS 113 12.514 -1.200 11.113 939 HG2 LYS 113 2HG LYS 113 11.505 0.915 11.966 940 HG3 LYS 113 3HG LYS 113 10.012 0.520 11.108 941 HD2 LYS 113 2HD LYS 113 9.810 -1.576 12.447 942 HD3 LYS 113 3HD LYS 113 11.274 -1.144 13.336 943 HE2 LYS 113 2HE LYS 113 8.688 0.455 13.307 944 HE3 LYS 113 3HE LYS 113 9.218 -0.616 14.599 945 HZ1 LYS 113 1HZ LYS 113 10.560 1.883 13.728 946 HZ2 LYS 113 2HZ LYS 113 11.166 0.828 14.896 947 HZ3 LYS 113 3HZ LYS 113 9.711 1.641 15.169 948 H GLU 114 H GLU 114 11.710 -1.962 7.843 949 HA GLU 114 HA GLU 114 14.444 -3.000 7.623 950 HB2 GLU 114 2HB GLU 114 11.922 -4.159 6.368 951 HB3 GLU 114 3HB GLU 114 13.443 -4.989 6.669 952 HG2 GLU 114 2HG GLU 114 11.583 -3.965 8.841 953 HG3 GLU 114 3HG GLU 114 11.578 -5.612 8.225 954 H GLY 115 H GLY 115 12.158 -1.142 5.787 955 HA2 GLY 115 2HA GLY 115 12.371 0.078 3.863 956 HA3 GLY 115 3HA GLY 115 14.081 -0.316 3.868 957 H GLY 116 H GLY 116 11.008 -2.093 3.390 958 HA2 GLY 116 2HA GLY 116 10.518 -2.738 0.998 959 HA3 GLY 116 3HA GLY 116 12.151 -3.392 0.953 960 H SER 117 H SER 117 11.231 -4.057 3.979 961 HA SER 117 HA SER 117 9.458 -6.351 3.486 962 HB2 SER 117 2HB SER 117 12.156 -6.591 4.924 963 HB3 SER 117 3HB SER 117 10.933 -7.862 4.843 964 HG SER 117 HG SER 117 11.277 -7.264 2.374 965 H LEU 118 H LEU 118 8.669 -7.248 5.587 966 HA LEU 118 HA LEU 118 8.229 -5.180 7.654 967 HB2 LEU 118 2HB LEU 118 7.008 -7.946 7.217 968 HB3 LEU 118 3HB LEU 118 6.482 -6.799 8.443 969 HG LEU 118 HG LEU 118 6.370 -6.174 5.470 970 HD11 LEU 118 1HD1 LEU 118 4.147 -7.370 7.151 971 HD12 LEU 118 2HD1 LEU 118 5.018 -8.165 5.836 972 HD13 LEU 118 3HD1 LEU 118 3.995 -6.775 5.495 973 HD21 LEU 118 1HD2 LEU 118 6.315 -4.226 6.933 974 HD22 LEU 118 2HD2 LEU 118 4.972 -4.915 7.851 975 HD23 LEU 118 3HD2 LEU 118 4.749 -4.457 6.160 976 H GLU 119 H GLU 119 8.371 -5.974 9.973 977 HA GLU 119 HA GLU 119 10.869 -7.050 10.671 978 HB2 GLU 119 2HB GLU 119 8.299 -6.774 12.283 979 HB3 GLU 119 3HB GLU 119 9.829 -7.272 12.998 980 HG2 GLU 119 2HG GLU 119 10.835 -5.097 12.287 981 HG3 GLU 119 3HG GLU 119 9.255 -4.612 11.657 982 H HIS 120 H HIS 120 7.662 -8.626 11.007 983 HA HIS 120 HA HIS 120 8.749 -11.303 10.904 984 HB2 HIS 120 2HB HIS 120 5.904 -10.260 10.600 985 HB3 HIS 120 3HB HIS 120 6.318 -11.973 10.504 986 HD1 HIS 120 HD1 HIS 120 6.568 -13.208 12.684 987 HD2 HIS 120 HD2 HIS 120 6.361 -9.100 13.235 988 HE1 HIS 120 HE1 HIS 120 6.373 -12.877 15.158 989 HE2 HIS 120 HE2 HIS 120 6.503 -10.387 15.472 990 H HIS 121 H HIS 121 8.246 -12.796 9.060 991 HA HIS 121 HA HIS 121 8.943 -13.421 6.987 992 HB2 HIS 121 2HB HIS 121 8.317 -10.574 6.037 993 HB3 HIS 121 3HB HIS 121 8.673 -11.948 5.000 994 HD1 HIS 121 HD1 HIS 121 6.262 -11.006 4.028 995 HD2 HIS 121 HD2 HIS 121 6.128 -13.099 7.599 996 HE1 HIS 121 HE1 HIS 121 3.862 -11.684 4.302 997 HE2 HIS 121 HE2 HIS 121 3.823 -13.009 6.441 998 H HIS 122 H HIS 122 10.599 -12.747 8.962 999 HA HIS 122 HA HIS 122 12.566 -10.817 8.568 1000 HB2 HIS 122 2HB HIS 122 13.862 -12.035 10.303 1001 HB3 HIS 122 3HB HIS 122 12.178 -11.831 10.759 1002 HD1 HIS 122 HD1 HIS 122 14.773 -14.414 10.250 1003 HD2 HIS 122 HD2 HIS 122 10.635 -14.298 10.604 1004 HE1 HIS 122 HE1 HIS 122 14.067 -16.784 10.680 1005 HE2 HIS 122 HE2 HIS 122 11.560 -16.703 10.789 1006 H HIS 123 H HIS 123 13.788 -10.690 6.821 1007 HA HIS 123 HA HIS 123 15.158 -11.111 5.078 1008 HB2 HIS 123 2HB HIS 123 16.584 -11.728 7.204 1009 HB3 HIS 123 3HB HIS 123 16.405 -13.395 6.673 1010 HD1 HIS 123 HD1 HIS 123 18.600 -10.587 6.364 1011 HD2 HIS 123 HD2 HIS 123 17.457 -13.663 3.816 1012 HE1 HIS 123 HE1 HIS 123 20.361 -10.670 4.577 1013 HE2 HIS 123 HE2 HIS 123 19.503 -12.360 2.927 1014 H HIS 124 H HIS 124 12.696 -12.204 4.683 1015 HA HIS 124 HA HIS 124 12.749 -14.982 3.946 1016 HB2 HIS 124 2HB HIS 124 10.504 -14.678 3.090 1017 HB3 HIS 124 3HB HIS 124 10.652 -13.814 4.611 1018 HD1 HIS 124 HD1 HIS 124 9.043 -13.412 1.577 1019 HD2 HIS 124 HD2 HIS 124 11.378 -10.853 3.862 1020 HE1 HIS 124 HE1 HIS 124 8.388 -11.103 0.880 1021 HE2 HIS 124 HE2 HIS 124 9.663 -9.586 2.412 1022 H HIS 125 H HIS 125 13.880 -12.187 2.390 1023 HA HIS 125 HA HIS 125 14.658 -13.845 0.069 1024 HB2 HIS 125 2HB HIS 125 13.901 -10.883 0.100 1025 HB3 HIS 125 3HB HIS 125 14.846 -11.599 -1.203 1026 HD1 HIS 125 HD1 HIS 125 13.607 -13.062 -2.895 1027 HD2 HIS 125 HD2 HIS 125 11.197 -11.701 0.189 1028 HE1 HIS 125 HE1 HIS 125 11.269 -13.646 -3.564 1029 HE2 HIS 125 HE2 HIS 125 9.815 -12.651 -1.776 Start of MODEL 10 1 H1 MET 1 1H MET 1 16.470 7.811 -5.425 2 H2 MET 1 2H MET 1 16.999 7.455 -3.860 3 H3 MET 1 3H MET 1 15.940 8.743 -4.119 4 HA MET 1 HA MET 1 14.210 7.252 -4.831 5 HB2 MET 1 2HB MET 1 16.261 5.095 -4.165 6 HB3 MET 1 3HB MET 1 14.560 4.776 -4.474 7 HG2 MET 1 2HG MET 1 15.851 4.256 -6.443 8 HG3 MET 1 3HG MET 1 14.831 5.657 -6.775 9 HE1 MET 1 1HE MET 1 16.343 6.268 -8.971 10 HE2 MET 1 2HE MET 1 17.258 4.798 -8.627 11 HE3 MET 1 3HE MET 1 18.106 6.317 -8.908 12 H GLY 2 H GLY 2 13.505 5.217 -3.002 13 HA2 GLY 2 2HA GLY 2 12.973 4.830 -0.759 14 HA3 GLY 2 3HA GLY 2 13.799 6.317 -0.306 15 H LYS 3 H LYS 3 11.699 6.720 -2.981 16 HA LYS 3 HA LYS 3 10.046 8.562 -1.576 17 HB2 LYS 3 2HB LYS 3 10.566 8.928 -3.949 18 HB3 LYS 3 3HB LYS 3 9.731 7.446 -4.397 19 HG2 LYS 3 2HG LYS 3 8.421 9.537 -4.867 20 HG3 LYS 3 3HG LYS 3 7.561 8.394 -3.819 21 HD2 LYS 3 2HD LYS 3 8.238 9.733 -1.827 22 HD3 LYS 3 3HD LYS 3 9.114 10.858 -2.868 23 HE2 LYS 3 2HE LYS 3 6.123 10.370 -3.026 24 HE3 LYS 3 3HE LYS 3 6.863 11.672 -2.097 25 HZ1 LYS 3 1HZ LYS 3 6.185 12.528 -4.172 26 HZ2 LYS 3 2HZ LYS 3 6.957 11.292 -5.029 27 HZ3 LYS 3 3HZ LYS 3 7.871 12.446 -4.201 28 H VAL 4 H VAL 4 8.669 7.881 -0.103 29 HA VAL 4 HA VAL 4 7.152 5.403 -0.360 30 HB VAL 4 HB VAL 4 6.937 7.410 1.934 31 HG11 VAL 4 1HG1 VAL 4 5.183 5.683 1.793 32 HG12 VAL 4 2HG1 VAL 4 6.169 5.469 3.238 33 HG13 VAL 4 3HG1 VAL 4 6.405 4.410 1.842 34 HG21 VAL 4 1HG2 VAL 4 9.327 6.876 1.720 35 HG22 VAL 4 2HG2 VAL 4 8.970 5.148 1.767 36 HG23 VAL 4 3HG2 VAL 4 8.652 6.153 3.182 37 H VAL 5 H VAL 5 5.139 5.429 -1.195 38 HA VAL 5 HA VAL 5 3.390 7.784 -0.803 39 HB VAL 5 HB VAL 5 3.556 6.055 -3.327 40 HG11 VAL 5 1HG1 VAL 5 1.209 6.597 -2.834 41 HG12 VAL 5 2HG1 VAL 5 1.756 7.471 -4.262 42 HG13 VAL 5 3HG1 VAL 5 1.604 8.314 -2.715 43 HG21 VAL 5 1HG2 VAL 5 4.154 9.026 -2.958 44 HG22 VAL 5 2HG2 VAL 5 4.188 8.154 -4.493 45 HG23 VAL 5 3HG2 VAL 5 5.344 7.751 -3.226 46 H PHE 6 H PHE 6 1.776 7.193 0.498 47 HA PHE 6 HA PHE 6 0.817 4.414 0.577 48 HB2 PHE 6 2HB PHE 6 1.261 5.504 2.759 49 HB3 PHE 6 3HB PHE 6 0.125 6.788 2.364 50 HD1 PHE 6 HD1 PHE 6 0.344 3.101 2.903 51 HD2 PHE 6 HD2 PHE 6 -2.209 6.529 2.913 52 HE1 PHE 6 HE1 PHE 6 -1.482 1.735 3.800 53 HE2 PHE 6 HE2 PHE 6 -4.033 5.154 3.824 54 HZ PHE 6 HZ PHE 6 -3.673 2.754 4.258 55 H LEU 7 H LEU 7 -1.292 3.883 0.134 56 HA LEU 7 HA LEU 7 -3.092 5.849 -1.110 57 HB2 LEU 7 2HB LEU 7 -1.871 4.767 -2.947 58 HB3 LEU 7 3HB LEU 7 -2.193 3.177 -2.271 59 HG LEU 7 HG LEU 7 -4.617 3.481 -2.736 60 HD11 LEU 7 1HD1 LEU 7 -5.383 5.324 -4.203 61 HD12 LEU 7 2HD1 LEU 7 -3.795 6.082 -4.078 62 HD13 LEU 7 3HD1 LEU 7 -4.809 5.909 -2.643 63 HD21 LEU 7 1HD2 LEU 7 -4.473 3.140 -5.158 64 HD22 LEU 7 2HD2 LEU 7 -3.160 2.302 -4.341 65 HD23 LEU 7 3HD2 LEU 7 -2.846 3.822 -5.183 66 H SER 8 H SER 8 -5.168 5.602 -0.350 67 HA SER 8 HA SER 8 -6.303 2.970 0.036 68 HB2 SER 8 2HB SER 8 -5.379 3.407 2.313 69 HB3 SER 8 3HB SER 8 -6.272 4.920 2.393 70 HG SER 8 HG SER 8 -7.294 2.276 2.324 71 H ASP 9 H ASP 9 -8.654 3.088 0.254 72 HA ASP 9 HA ASP 9 -9.824 5.410 -1.119 73 HB2 ASP 9 2HB ASP 9 -10.985 2.670 -0.429 74 HB3 ASP 9 3HB ASP 9 -11.815 3.912 -1.364 75 H ASP 10 H ASP 10 -9.485 4.139 2.037 76 HA ASP 10 HA ASP 10 -11.886 5.536 3.066 77 HB2 ASP 10 2HB ASP 10 -11.700 3.070 3.522 78 HB3 ASP 10 3HB ASP 10 -10.224 3.370 4.433 79 H GLN 11 H GLN 11 -11.643 7.254 4.416 80 HA GLN 11 HA GLN 11 -9.026 8.455 4.545 81 HB2 GLN 11 2HB GLN 11 -11.129 9.752 4.042 82 HB3 GLN 11 3HB GLN 11 -11.617 9.542 5.719 83 HG2 GLN 11 2HG GLN 11 -10.632 11.737 5.464 84 HG3 GLN 11 3HG GLN 11 -9.556 10.742 6.447 85 HE21 GLN 11 1HE2 GLN 11 -7.577 11.588 5.991 86 HE22 GLN 11 2HE2 GLN 11 -6.905 11.769 4.415 87 H GLU 12 H GLU 12 -11.108 6.851 6.939 88 HA GLU 12 HA GLU 12 -9.838 7.633 9.350 89 HB2 GLU 12 2HB GLU 12 -11.121 4.963 8.628 90 HB3 GLU 12 3HB GLU 12 -10.627 5.399 10.261 91 HG2 GLU 12 2HG GLU 12 -12.716 6.885 8.638 92 HG3 GLU 12 3HG GLU 12 -13.071 5.642 9.835 93 H ILE 13 H ILE 13 -8.959 5.358 6.873 94 HA ILE 13 HA ILE 13 -6.795 4.051 8.242 95 HB ILE 13 HB ILE 13 -7.412 4.311 5.261 96 HG12 ILE 13 2HG1 ILE 13 -9.237 3.176 6.495 97 HG13 ILE 13 3HG1 ILE 13 -8.414 2.067 5.409 98 HG21 ILE 13 1HG2 ILE 13 -5.531 2.373 6.642 99 HG22 ILE 13 2HG2 ILE 13 -5.063 3.731 5.617 100 HG23 ILE 13 3HG2 ILE 13 -5.944 2.374 4.924 101 HD11 ILE 13 1HD1 ILE 13 -7.206 1.112 7.337 102 HD12 ILE 13 2HD1 ILE 13 -8.955 0.977 7.492 103 HD13 ILE 13 3HD1 ILE 13 -8.086 2.204 8.409 104 H ILE 14 H ILE 14 -7.071 6.692 5.850 105 HA ILE 14 HA ILE 14 -4.295 7.030 5.365 106 HB ILE 14 HB ILE 14 -6.675 8.847 4.798 107 HG12 ILE 14 2HG1 ILE 14 -5.092 6.944 2.999 108 HG13 ILE 14 3HG1 ILE 14 -6.733 6.699 3.587 109 HG21 ILE 14 1HG2 ILE 14 -5.247 10.125 3.229 110 HG22 ILE 14 2HG2 ILE 14 -3.836 9.201 3.746 111 HG23 ILE 14 3HG2 ILE 14 -4.664 10.264 4.885 112 HD11 ILE 14 1HD1 ILE 14 -6.762 7.357 1.281 113 HD12 ILE 14 2HD1 ILE 14 -5.817 8.801 1.630 114 HD13 ILE 14 3HD1 ILE 14 -7.462 8.651 2.255 115 H GLU 15 H GLU 15 -6.533 8.670 7.572 116 HA GLU 15 HA GLU 15 -4.797 10.773 8.380 117 HB2 GLU 15 2HB GLU 15 -7.212 9.545 9.764 118 HB3 GLU 15 3HB GLU 15 -6.404 11.011 10.320 119 HG2 GLU 15 2HG GLU 15 -6.953 12.131 8.204 120 HG3 GLU 15 3HG GLU 15 -7.726 10.667 7.610 121 H GLU 16 H GLU 16 -5.351 7.513 9.604 122 HA GLU 16 HA GLU 16 -3.751 7.740 11.967 123 HB2 GLU 16 2HB GLU 16 -4.724 5.343 10.379 124 HB3 GLU 16 3HB GLU 16 -3.818 5.189 11.880 125 HG2 GLU 16 2HG GLU 16 -6.514 6.528 11.551 126 HG3 GLU 16 3HG GLU 16 -6.212 4.942 12.250 127 H VAL 17 H VAL 17 -3.093 6.577 8.663 128 HA VAL 17 HA VAL 17 -0.395 5.788 9.155 129 HB VAL 17 HB VAL 17 -1.812 6.498 6.549 130 HG11 VAL 17 1HG1 VAL 17 0.586 6.814 6.186 131 HG12 VAL 17 2HG1 VAL 17 0.060 5.346 5.367 132 HG13 VAL 17 3HG1 VAL 17 0.944 5.234 6.892 133 HG21 VAL 17 1HG2 VAL 17 -2.737 4.523 7.703 134 HG22 VAL 17 2HG2 VAL 17 -1.134 3.781 7.760 135 HG23 VAL 17 3HG2 VAL 17 -1.928 4.058 6.208 136 H SER 18 H SER 18 -1.863 8.807 8.014 137 HA SER 18 HA SER 18 0.559 10.211 7.484 138 HB2 SER 18 2HB SER 18 -1.659 10.868 6.509 139 HB3 SER 18 3HB SER 18 -2.197 11.368 8.112 140 HG SER 18 HG SER 18 -0.042 12.679 7.883 141 H LYS 19 H LYS 19 -1.475 9.846 10.353 142 HA LYS 19 HA LYS 19 -0.112 11.797 11.965 143 HB2 LYS 19 2HB LYS 19 -2.382 11.318 12.561 144 HB3 LYS 19 3HB LYS 19 -2.089 9.591 12.621 145 HG2 LYS 19 2HG LYS 19 -2.431 10.624 14.860 146 HG3 LYS 19 3HG LYS 19 -0.900 9.774 14.704 147 HD2 LYS 19 2HD LYS 19 -0.577 11.838 15.949 148 HD3 LYS 19 3HD LYS 19 0.274 11.924 14.411 149 HE2 LYS 19 2HE LYS 19 -1.622 13.276 13.497 150 HE3 LYS 19 3HE LYS 19 -2.350 13.271 15.106 151 HZ1 LYS 19 1HZ LYS 19 -0.346 14.359 15.949 152 HZ2 LYS 19 2HZ LYS 19 -1.069 15.279 14.733 153 HZ3 LYS 19 3HZ LYS 19 0.315 14.377 14.389 154 H LYS 20 H LYS 20 0.036 8.261 11.701 155 HA LYS 20 HA LYS 20 2.028 7.630 13.550 156 HB2 LYS 20 2HB LYS 20 0.727 5.925 12.320 157 HB3 LYS 20 3HB LYS 20 1.479 6.408 10.813 158 HG2 LYS 20 2HG LYS 20 2.598 4.445 11.302 159 HG3 LYS 20 3HG LYS 20 3.713 5.652 11.933 160 HD2 LYS 20 2HD LYS 20 1.699 4.183 13.679 161 HD3 LYS 20 3HD LYS 20 3.318 3.568 13.363 162 HE2 LYS 20 2HE LYS 20 4.225 5.712 14.338 163 HE3 LYS 20 3HE LYS 20 2.576 6.109 14.836 164 HZ1 LYS 20 1HZ LYS 20 4.141 3.719 15.657 165 HZ2 LYS 20 2HZ LYS 20 2.542 4.026 16.119 166 HZ3 LYS 20 3HZ LYS 20 3.781 5.055 16.630 167 H ALA 21 H ALA 21 2.328 8.480 10.128 168 HA ALA 21 HA ALA 21 5.142 8.338 9.917 169 HB1 ALA 21 1HB ALA 21 3.630 8.176 7.987 170 HB2 ALA 21 2HB ALA 21 4.812 9.463 7.752 171 HB3 ALA 21 3HB ALA 21 3.153 9.861 8.208 172 H GLU 22 H GLU 22 2.916 10.970 10.697 173 HA GLU 22 HA GLU 22 4.691 13.145 10.478 174 HB2 GLU 22 2HB GLU 22 2.253 13.425 10.493 175 HB3 GLU 22 3HB GLU 22 2.165 12.856 12.159 176 HG2 GLU 22 2HG GLU 22 3.287 14.804 12.974 177 HG3 GLU 22 3HG GLU 22 3.726 15.314 11.345 178 H GLU 23 H GLU 23 3.608 11.350 13.388 179 HA GLU 23 HA GLU 23 5.273 12.683 15.236 180 HB2 GLU 23 2HB GLU 23 4.175 9.849 15.534 181 HB3 GLU 23 3HB GLU 23 4.711 10.912 16.831 182 HG2 GLU 23 2HG GLU 23 2.241 11.198 15.106 183 HG3 GLU 23 3HG GLU 23 2.312 10.872 16.834 184 H GLU 24 H GLU 24 5.839 9.818 13.201 185 HA GLU 24 HA GLU 24 8.387 9.187 14.490 186 HB2 GLU 24 2HB GLU 24 7.180 7.977 11.970 187 HB3 GLU 24 3HB GLU 24 8.579 7.364 12.844 188 HG2 GLU 24 2HG GLU 24 5.705 7.413 13.805 189 HG3 GLU 24 3HG GLU 24 6.648 5.999 13.353 190 H GLY 25 H GLY 25 7.393 11.303 11.986 191 HA2 GLY 25 2HA GLY 25 8.702 12.919 10.942 192 HA3 GLY 25 3HA GLY 25 10.154 12.072 11.451 193 H TYR 26 H TYR 26 7.916 9.997 9.925 194 HA TYR 26 HA TYR 26 9.476 9.766 7.499 195 HB2 TYR 26 2HB TYR 26 6.869 8.438 8.329 196 HB3 TYR 26 3HB TYR 26 7.733 8.062 6.843 197 HD1 TYR 26 HD1 TYR 26 10.414 7.533 7.367 198 HD2 TYR 26 HD2 TYR 26 7.148 6.833 10.040 199 HE1 TYR 26 HE1 TYR 26 11.707 5.774 8.489 200 HE2 TYR 26 HE2 TYR 26 8.460 5.078 11.168 201 HH TYR 26 HH TYR 26 11.784 4.655 10.680 202 H ASP 27 H ASP 27 9.201 11.060 5.792 203 HA ASP 27 HA ASP 27 6.750 12.514 5.227 204 HB2 ASP 27 2HB ASP 27 9.313 12.220 3.581 205 HB3 ASP 27 3HB ASP 27 7.984 13.314 3.208 206 H ILE 28 H ILE 28 5.091 11.268 4.540 207 HA ILE 28 HA ILE 28 5.505 9.318 2.343 208 HB ILE 28 HB ILE 28 3.308 9.236 4.474 209 HG12 ILE 28 2HG1 ILE 28 5.774 7.443 4.196 210 HG13 ILE 28 3HG1 ILE 28 5.464 8.597 5.492 211 HG21 ILE 28 1HG2 ILE 28 3.946 7.246 2.252 212 HG22 ILE 28 2HG2 ILE 28 2.567 8.343 2.300 213 HG23 ILE 28 3HG2 ILE 28 2.694 7.047 3.485 214 HD11 ILE 28 1HD1 ILE 28 3.948 6.066 4.914 215 HD12 ILE 28 2HD1 ILE 28 3.481 7.252 6.135 216 HD13 ILE 28 3HD1 ILE 28 5.014 6.396 6.277 217 H GLN 29 H GLN 29 4.392 9.814 0.513 218 HA GLN 29 HA GLN 29 2.504 12.033 0.467 219 HB2 GLN 29 2HB GLN 29 4.267 11.702 -1.293 220 HB3 GLN 29 3HB GLN 29 3.498 10.188 -1.750 221 HG2 GLN 29 2HG GLN 29 2.927 11.945 -3.318 222 HG3 GLN 29 3HG GLN 29 1.487 11.407 -2.454 223 HE21 GLN 29 1HE2 GLN 29 0.444 12.845 -1.053 224 HE22 GLN 29 2HE2 GLN 29 0.840 14.525 -0.967 225 H THR 30 H THR 30 0.456 11.544 1.147 226 HA THR 30 HA THR 30 -0.644 8.845 0.682 227 HB THR 30 HB THR 30 -2.492 9.665 2.280 228 HG1 THR 30 HG1 THR 30 -0.691 11.616 3.197 229 HG21 THR 30 1HG2 THR 30 -0.752 8.160 3.116 230 HG22 THR 30 2HG2 THR 30 -1.127 9.378 4.333 231 HG23 THR 30 3HG2 THR 30 0.346 9.516 3.369 232 H SER 31 H SER 31 -2.665 8.530 -0.353 233 HA SER 31 HA SER 31 -3.932 10.781 -1.767 234 HB2 SER 31 2HB SER 31 -2.169 10.013 -3.316 235 HB3 SER 31 3HB SER 31 -2.757 8.357 -3.206 236 HG SER 31 HG SER 31 -3.474 9.569 -5.092 237 H ASN 32 H ASN 32 -6.040 10.359 -2.501 238 HA ASN 32 HA ASN 32 -7.403 8.033 -1.293 239 HB2 ASN 32 2HB ASN 32 -8.478 10.646 -2.438 240 HB3 ASN 32 3HB ASN 32 -9.510 9.340 -1.860 241 HD21 ASN 32 1HD2 ASN 32 -9.550 8.866 0.370 242 HD22 ASN 32 2HD2 ASN 32 -8.981 9.986 1.551 243 H ASP 33 H ASP 33 -6.535 9.380 -4.398 244 HA ASP 33 HA ASP 33 -8.403 7.601 -5.837 245 HB2 ASP 33 2HB ASP 33 -8.493 9.996 -6.437 246 HB3 ASP 33 3HB ASP 33 -6.789 9.971 -6.877 247 H LYS 34 H LYS 34 -7.626 5.705 -6.444 248 HA LYS 34 HA LYS 34 -4.888 4.959 -6.483 249 HB2 LYS 34 2HB LYS 34 -5.652 2.777 -7.163 250 HB3 LYS 34 3HB LYS 34 -6.827 3.416 -6.019 251 HG2 LYS 34 2HG LYS 34 -8.184 4.152 -8.099 252 HG3 LYS 34 3HG LYS 34 -7.093 3.127 -9.019 253 HD2 LYS 34 2HD LYS 34 -9.101 1.878 -8.586 254 HD3 LYS 34 3HD LYS 34 -7.807 1.177 -7.618 255 HE2 LYS 34 2HE LYS 34 -9.739 3.196 -6.443 256 HE3 LYS 34 3HE LYS 34 -10.141 1.485 -6.526 257 HZ1 LYS 34 1HZ LYS 34 -8.143 1.025 -5.214 258 HZ2 LYS 34 2HZ LYS 34 -9.237 2.011 -4.392 259 HZ3 LYS 34 3HZ LYS 34 -7.848 2.684 -5.075 260 H LYS 35 H LYS 35 -6.992 6.244 -8.945 261 HA LYS 35 HA LYS 35 -5.736 5.112 -11.249 262 HB2 LYS 35 2HB LYS 35 -7.493 7.584 -11.014 263 HB3 LYS 35 3HB LYS 35 -7.093 6.764 -12.520 264 HG2 LYS 35 2HG LYS 35 -8.698 5.604 -10.222 265 HG3 LYS 35 3HG LYS 35 -9.349 6.197 -11.752 266 HD2 LYS 35 2HD LYS 35 -7.487 3.812 -11.404 267 HD3 LYS 35 3HD LYS 35 -9.220 3.737 -11.716 268 HE2 LYS 35 2HE LYS 35 -8.834 4.888 -13.903 269 HE3 LYS 35 3HE LYS 35 -7.097 4.830 -13.596 270 HZ1 LYS 35 1HZ LYS 35 -7.788 3.015 -15.004 271 HZ2 LYS 35 2HZ LYS 35 -8.907 2.492 -13.852 272 HZ3 LYS 35 3HZ LYS 35 -7.252 2.407 -13.520 273 H GLU 36 H GLU 36 -5.430 8.133 -9.555 274 HA GLU 36 HA GLU 36 -3.534 9.506 -11.091 275 HB2 GLU 36 2HB GLU 36 -4.764 10.532 -9.218 276 HB3 GLU 36 3HB GLU 36 -4.026 9.409 -8.077 277 HG2 GLU 36 2HG GLU 36 -1.780 10.440 -8.735 278 HG3 GLU 36 3HG GLU 36 -2.713 11.695 -9.558 279 H ILE 37 H ILE 37 -3.231 7.138 -8.502 280 HA ILE 37 HA ILE 37 -0.402 7.225 -8.205 281 HB ILE 37 HB ILE 37 -2.481 5.218 -7.253 282 HG12 ILE 37 2HG1 ILE 37 -2.786 7.432 -6.280 283 HG13 ILE 37 3HG1 ILE 37 -2.153 6.358 -5.040 284 HG21 ILE 37 1HG2 ILE 37 -0.801 4.353 -5.659 285 HG22 ILE 37 2HG2 ILE 37 0.441 5.345 -6.430 286 HG23 ILE 37 3HG2 ILE 37 -0.343 4.048 -7.334 287 HD11 ILE 37 1HD1 ILE 37 -0.618 8.477 -6.556 288 HD12 ILE 37 2HD1 ILE 37 0.103 7.350 -5.406 289 HD13 ILE 37 3HD1 ILE 37 -1.100 8.517 -4.860 290 H ILE 38 H ILE 38 -2.571 5.075 -9.985 291 HA ILE 38 HA ILE 38 -0.755 3.135 -10.930 292 HB ILE 38 HB ILE 38 -3.354 4.242 -12.098 293 HG12 ILE 38 2HG1 ILE 38 -2.827 1.590 -10.679 294 HG13 ILE 38 3HG1 ILE 38 -3.483 3.021 -9.898 295 HG21 ILE 38 1HG2 ILE 38 -2.020 3.263 -13.951 296 HG22 ILE 38 2HG2 ILE 38 -3.493 2.353 -13.637 297 HG23 ILE 38 3HG2 ILE 38 -1.944 1.734 -13.075 298 HD11 ILE 38 1HD1 ILE 38 -4.791 1.405 -12.079 299 HD12 ILE 38 2HD1 ILE 38 -5.450 2.890 -11.385 300 HD13 ILE 38 3HD1 ILE 38 -5.234 1.463 -10.373 301 H ASP 39 H ASP 39 -1.770 6.271 -12.166 302 HA ASP 39 HA ASP 39 -0.262 6.329 -14.560 303 HB2 ASP 39 2HB ASP 39 -2.165 7.814 -14.229 304 HB3 ASP 39 3HB ASP 39 -1.410 8.555 -12.822 305 H ARG 40 H ARG 40 0.490 7.401 -11.229 306 HA ARG 40 HA ARG 40 3.003 8.626 -11.896 307 HB2 ARG 40 2HB ARG 40 2.037 7.648 -9.179 308 HB3 ARG 40 3HB ARG 40 3.408 8.726 -9.455 309 HG2 ARG 40 2HG ARG 40 1.783 10.378 -10.479 310 HG3 ARG 40 3HG ARG 40 0.480 9.312 -9.961 311 HD2 ARG 40 2HD ARG 40 0.695 11.071 -8.337 312 HD3 ARG 40 3HD ARG 40 1.284 9.579 -7.590 313 HE ARG 40 HE ARG 40 3.450 10.922 -8.780 314 HH11 ARG 40 1HH1 ARG 40 1.289 11.378 -6.033 315 HH12 ARG 40 2HH1 ARG 40 2.442 12.306 -5.137 316 HH21 ARG 40 1HH2 ARG 40 4.914 12.182 -7.619 317 HH22 ARG 40 2HH2 ARG 40 4.505 12.762 -6.044 318 H LEU 41 H LEU 41 2.054 5.380 -10.963 319 HA LEU 41 HA LEU 41 4.657 4.283 -10.583 320 HB2 LEU 41 2HB LEU 41 1.984 3.011 -11.270 321 HB3 LEU 41 3HB LEU 41 3.439 2.068 -10.981 322 HG LEU 41 HG LEU 41 2.220 3.933 -8.901 323 HD11 LEU 41 1HD1 LEU 41 0.612 2.141 -9.404 324 HD12 LEU 41 2HD1 LEU 41 1.286 1.961 -7.787 325 HD13 LEU 41 3HD1 LEU 41 1.856 0.923 -9.097 326 HD21 LEU 41 1HD2 LEU 41 4.610 3.512 -8.570 327 HD22 LEU 41 2HD2 LEU 41 4.337 1.767 -8.636 328 HD23 LEU 41 3HD2 LEU 41 3.665 2.721 -7.310 329 H LYS 42 H LYS 42 2.558 4.690 -13.426 330 HA LYS 42 HA LYS 42 4.175 3.427 -15.393 331 HB2 LYS 42 2HB LYS 42 2.385 5.880 -15.700 332 HB3 LYS 42 3HB LYS 42 3.039 4.934 -17.036 333 HG2 LYS 42 2HG LYS 42 1.714 3.008 -16.383 334 HG3 LYS 42 3HG LYS 42 1.151 3.847 -14.936 335 HD2 LYS 42 2HD LYS 42 0.035 5.549 -16.398 336 HD3 LYS 42 3HD LYS 42 0.531 4.619 -17.817 337 HE2 LYS 42 2HE LYS 42 -0.796 2.688 -16.982 338 HE3 LYS 42 3HE LYS 42 -1.309 3.655 -15.596 339 HZ1 LYS 42 1HZ LYS 42 -2.946 3.586 -17.407 340 HZ2 LYS 42 2HZ LYS 42 -1.847 4.363 -18.425 341 HZ3 LYS 42 3HZ LYS 42 -2.435 5.156 -17.056 342 H ARG 43 H ARG 43 4.215 6.671 -13.991 343 HA ARG 43 HA ARG 43 6.290 7.745 -15.713 344 HB2 ARG 43 2HB ARG 43 5.224 8.880 -13.093 345 HB3 ARG 43 3HB ARG 43 6.172 9.745 -14.300 346 HG2 ARG 43 2HG ARG 43 4.251 9.439 -15.908 347 HG3 ARG 43 3HG ARG 43 3.334 8.745 -14.572 348 HD2 ARG 43 2HD ARG 43 3.644 10.873 -13.302 349 HD3 ARG 43 3HD ARG 43 4.430 11.568 -14.727 350 HE ARG 43 HE ARG 43 1.696 10.494 -14.954 351 HH11 ARG 43 1HH1 ARG 43 3.766 13.338 -14.961 352 HH12 ARG 43 2HH1 ARG 43 2.532 14.370 -15.608 353 HH21 ARG 43 1HH2 ARG 43 0.087 11.876 -15.737 354 HH22 ARG 43 2HH2 ARG 43 0.447 13.545 -16.047 355 H ARG 44 H ARG 44 6.425 5.561 -13.201 356 HA ARG 44 HA ARG 44 8.058 4.573 -12.040 357 HB2 ARG 44 2HB ARG 44 9.339 5.195 -14.280 358 HB3 ARG 44 3HB ARG 44 10.146 6.393 -13.283 359 HG2 ARG 44 2HG ARG 44 11.554 4.474 -13.376 360 HG3 ARG 44 3HG ARG 44 10.860 4.538 -11.754 361 HD2 ARG 44 2HD ARG 44 10.821 2.257 -12.554 362 HD3 ARG 44 3HD ARG 44 9.172 2.860 -12.415 363 HE ARG 44 HE ARG 44 10.662 2.519 -14.944 364 HH11 ARG 44 1HH1 ARG 44 7.584 2.633 -13.266 365 HH12 ARG 44 2HH1 ARG 44 6.669 2.148 -14.657 366 HH21 ARG 44 1HH2 ARG 44 9.450 1.799 -16.734 367 HH22 ARG 44 2HH2 ARG 44 7.725 1.678 -16.613 368 H ASN 45 H ASN 45 6.789 7.213 -11.236 369 HA ASN 45 HA ASN 45 8.653 8.903 -9.906 370 HB2 ASN 45 2HB ASN 45 5.636 8.698 -9.996 371 HB3 ASN 45 3HB ASN 45 6.392 9.793 -8.841 372 HD21 ASN 45 1HD2 ASN 45 7.945 9.343 -11.949 373 HD22 ASN 45 2HD2 ASN 45 7.467 10.856 -12.612 374 H ILE 46 H ILE 46 7.034 6.017 -8.873 375 HA ILE 46 HA ILE 46 7.397 6.707 -6.005 376 HB ILE 46 HB ILE 46 5.552 4.583 -7.192 377 HG12 ILE 46 2HG1 ILE 46 4.908 7.426 -6.246 378 HG13 ILE 46 3HG1 ILE 46 4.789 6.827 -7.897 379 HG21 ILE 46 1HG2 ILE 46 5.749 5.696 -4.360 380 HG22 ILE 46 2HG2 ILE 46 6.241 4.084 -4.882 381 HG23 ILE 46 3HG2 ILE 46 4.540 4.539 -4.921 382 HD11 ILE 46 1HD1 ILE 46 3.098 5.995 -5.558 383 HD12 ILE 46 2HD1 ILE 46 2.962 5.341 -7.195 384 HD13 ILE 46 3HD1 ILE 46 2.620 7.045 -6.888 385 H ASP 47 H ASP 47 8.784 5.517 -4.800 386 HA ASP 47 HA ASP 47 10.294 3.354 -6.151 387 HB2 ASP 47 2HB ASP 47 11.646 5.181 -5.278 388 HB3 ASP 47 3HB ASP 47 10.892 5.049 -3.692 389 H MET 48 H MET 48 8.421 4.028 -3.259 390 HA MET 48 HA MET 48 7.976 1.187 -2.798 391 HB2 MET 48 2HB MET 48 8.421 1.489 -0.301 392 HB3 MET 48 3HB MET 48 9.847 1.488 -1.318 393 HG2 MET 48 2HG MET 48 9.903 3.975 -1.193 394 HG3 MET 48 3HG MET 48 8.536 3.918 -0.083 395 HE1 MET 48 1HE MET 48 8.658 2.771 2.344 396 HE2 MET 48 2HE MET 48 10.131 2.082 3.027 397 HE3 MET 48 3HE MET 48 9.320 1.272 1.686 398 H ILE 49 H ILE 49 5.902 0.861 -2.388 399 HA ILE 49 HA ILE 49 4.145 3.134 -1.695 400 HB ILE 49 HB ILE 49 4.073 2.963 -4.113 401 HG12 ILE 49 2HG1 ILE 49 1.567 1.696 -2.924 402 HG13 ILE 49 3HG1 ILE 49 1.891 3.420 -3.064 403 HG21 ILE 49 1HG2 ILE 49 3.487 0.928 -5.358 404 HG22 ILE 49 2HG2 ILE 49 3.436 0.009 -3.854 405 HG23 ILE 49 3HG2 ILE 49 4.960 0.697 -4.416 406 HD11 ILE 49 1HD1 ILE 49 1.435 1.476 -5.321 407 HD12 ILE 49 2HD1 ILE 49 1.845 3.181 -5.528 408 HD13 ILE 49 3HD1 ILE 49 0.330 2.723 -4.749 409 H ILE 50 H ILE 50 2.327 2.584 -0.516 410 HA ILE 50 HA ILE 50 1.936 -0.246 0.265 411 HB ILE 50 HB ILE 50 1.782 2.176 2.136 412 HG12 ILE 50 2HG1 ILE 50 3.865 -0.072 2.093 413 HG13 ILE 50 3HG1 ILE 50 4.144 1.569 1.530 414 HG21 ILE 50 1HG2 ILE 50 0.151 0.450 2.752 415 HG22 ILE 50 2HG2 ILE 50 1.441 0.508 3.949 416 HG23 ILE 50 3HG2 ILE 50 1.410 -0.787 2.750 417 HD11 ILE 50 1HD1 ILE 50 5.124 1.228 3.690 418 HD12 ILE 50 2HD1 ILE 50 3.575 0.720 4.357 419 HD13 ILE 50 3HD1 ILE 50 3.800 2.387 3.820 420 H VAL 51 H VAL 51 -0.056 -0.806 -0.410 421 HA VAL 51 HA VAL 51 -2.176 1.254 -0.642 422 HB VAL 51 HB VAL 51 -1.869 -1.319 -2.278 423 HG11 VAL 51 1HG1 VAL 51 -3.959 0.891 -2.530 424 HG12 VAL 51 2HG1 VAL 51 -4.246 -0.740 -1.923 425 HG13 VAL 51 3HG1 VAL 51 -3.785 -0.501 -3.607 426 HG21 VAL 51 1HG2 VAL 51 -0.215 0.335 -2.953 427 HG22 VAL 51 2HG2 VAL 51 -1.446 1.595 -3.052 428 HG23 VAL 51 3HG2 VAL 51 -1.473 0.245 -4.186 429 H LYS 52 H LYS 52 -3.637 1.063 0.848 430 HA LYS 52 HA LYS 52 -4.441 -1.551 1.947 431 HB2 LYS 52 2HB LYS 52 -3.766 0.068 3.668 432 HB3 LYS 52 3HB LYS 52 -4.855 1.282 3.009 433 HG2 LYS 52 2HG LYS 52 -5.748 0.272 5.064 434 HG3 LYS 52 3HG LYS 52 -6.800 -0.035 3.678 435 HD2 LYS 52 2HD LYS 52 -5.841 -2.335 3.484 436 HD3 LYS 52 3HD LYS 52 -4.817 -2.010 4.887 437 HE2 LYS 52 2HE LYS 52 -6.831 -3.335 5.453 438 HE3 LYS 52 3HE LYS 52 -6.768 -1.800 6.316 439 HZ1 LYS 52 1HZ LYS 52 -8.346 -0.893 4.750 440 HZ2 LYS 52 2HZ LYS 52 -8.965 -2.288 5.472 441 HZ3 LYS 52 3HZ LYS 52 -8.378 -2.342 3.890 442 H THR 53 H THR 53 -5.985 -2.342 0.665 443 HA THR 53 HA THR 53 -8.568 -1.102 0.613 444 HB THR 53 HB THR 53 -7.642 0.004 -1.405 445 HG1 THR 53 HG1 THR 53 -9.738 -0.287 -1.728 446 HG21 THR 53 1HG2 THR 53 -7.068 -1.255 -3.435 447 HG22 THR 53 2HG2 THR 53 -7.265 -2.777 -2.568 448 HG23 THR 53 3HG2 THR 53 -5.968 -1.669 -2.116 449 H GLU 54 H GLU 54 -10.211 -2.596 0.019 450 HA GLU 54 HA GLU 54 -9.440 -5.422 0.344 451 HB2 GLU 54 2HB GLU 54 -12.205 -4.129 0.535 452 HB3 GLU 54 3HB GLU 54 -11.816 -5.799 0.923 453 HG2 GLU 54 2HG GLU 54 -11.997 -4.767 3.011 454 HG3 GLU 54 3HG GLU 54 -10.257 -4.847 2.741 455 H ASP 55 H ASP 55 -10.257 -3.235 -2.075 456 HA ASP 55 HA ASP 55 -11.832 -4.944 -3.770 457 HB2 ASP 55 2HB ASP 55 -11.971 -2.410 -3.756 458 HB3 ASP 55 3HB ASP 55 -10.389 -2.353 -4.526 459 H LYS 56 H LYS 56 -10.882 -6.711 -4.533 460 HA LYS 56 HA LYS 56 -8.205 -7.360 -4.817 461 HB2 LYS 56 2HB LYS 56 -10.547 -8.465 -6.415 462 HB3 LYS 56 3HB LYS 56 -8.961 -9.226 -6.294 463 HG2 LYS 56 2HG LYS 56 -9.291 -9.598 -3.893 464 HG3 LYS 56 3HG LYS 56 -10.856 -8.774 -3.964 465 HD2 LYS 56 2HD LYS 56 -11.769 -10.501 -5.408 466 HD3 LYS 56 3HD LYS 56 -10.186 -11.266 -5.573 467 HE2 LYS 56 2HE LYS 56 -10.214 -11.785 -3.140 468 HE3 LYS 56 3HE LYS 56 -11.836 -11.093 -3.030 469 HZ1 LYS 56 1HZ LYS 56 -11.096 -13.391 -4.758 470 HZ2 LYS 56 2HZ LYS 56 -12.648 -12.777 -4.512 471 HZ3 LYS 56 3HZ LYS 56 -11.825 -13.527 -3.246 472 H GLU 57 H GLU 57 -10.325 -5.853 -7.216 473 HA GLU 57 HA GLU 57 -8.652 -6.177 -9.504 474 HB2 GLU 57 2HB GLU 57 -10.741 -4.000 -9.036 475 HB3 GLU 57 3HB GLU 57 -10.082 -4.498 -10.592 476 HG2 GLU 57 2HG GLU 57 -11.784 -6.227 -8.767 477 HG3 GLU 57 3HG GLU 57 -12.363 -5.364 -10.186 478 H SER 58 H SER 58 -9.096 -3.566 -7.157 479 HA SER 58 HA SER 58 -7.419 -1.625 -8.360 480 HB2 SER 58 2HB SER 58 -8.239 -1.966 -5.446 481 HB3 SER 58 3HB SER 58 -7.569 -0.490 -6.156 482 HG SER 58 HG SER 58 -9.927 -1.706 -7.160 483 H ILE 59 H ILE 59 -6.891 -3.980 -5.761 484 HA ILE 59 HA ILE 59 -4.249 -3.519 -5.053 485 HB ILE 59 HB ILE 59 -5.762 -6.167 -5.242 486 HG12 ILE 59 2HG1 ILE 59 -5.258 -4.416 -2.787 487 HG13 ILE 59 3HG1 ILE 59 -6.755 -4.414 -3.711 488 HG21 ILE 59 1HG2 ILE 59 -3.359 -6.616 -5.182 489 HG22 ILE 59 2HG2 ILE 59 -4.102 -7.095 -3.660 490 HG23 ILE 59 3HG2 ILE 59 -3.176 -5.595 -3.755 491 HD11 ILE 59 1HD1 ILE 59 -5.616 -6.714 -2.143 492 HD12 ILE 59 2HD1 ILE 59 -7.079 -6.787 -3.130 493 HD13 ILE 59 3HD1 ILE 59 -7.010 -5.721 -1.726 494 H SER 60 H SER 60 -5.483 -5.783 -7.494 495 HA SER 60 HA SER 60 -3.035 -6.827 -8.361 496 HB2 SER 60 2HB SER 60 -5.268 -7.888 -8.726 497 HB3 SER 60 3HB SER 60 -5.628 -6.670 -9.951 498 HG SER 60 HG SER 60 -4.815 -8.621 -10.861 499 H GLU 61 H GLU 61 -4.925 -4.069 -9.644 500 HA GLU 61 HA GLU 61 -3.430 -3.638 -12.016 501 HB2 GLU 61 2HB GLU 61 -4.982 -1.528 -10.457 502 HB3 GLU 61 3HB GLU 61 -4.454 -1.406 -12.132 503 HG2 GLU 61 2HG GLU 61 -6.647 -3.131 -10.977 504 HG3 GLU 61 3HG GLU 61 -6.761 -1.907 -12.230 505 H ILE 62 H ILE 62 -3.179 -2.128 -8.769 506 HA ILE 62 HA ILE 62 -0.980 -0.440 -9.298 507 HB ILE 62 HB ILE 62 -2.095 -1.572 -6.721 508 HG12 ILE 62 2HG1 ILE 62 -2.235 0.879 -6.100 509 HG13 ILE 62 3HG1 ILE 62 -1.553 1.294 -7.666 510 HG21 ILE 62 1HG2 ILE 62 -0.337 -0.456 -5.353 511 HG22 ILE 62 2HG2 ILE 62 0.588 -0.130 -6.815 512 HG23 ILE 62 3HG2 ILE 62 0.301 -1.792 -6.297 513 HD11 ILE 62 1HD1 ILE 62 -3.933 1.643 -7.637 514 HD12 ILE 62 2HD1 ILE 62 -4.215 -0.031 -7.160 515 HD13 ILE 62 3HD1 ILE 62 -3.543 0.332 -8.752 516 H ILE 63 H ILE 63 -1.028 -3.826 -8.111 517 HA ILE 63 HA ILE 63 1.710 -4.178 -7.624 518 HB ILE 63 HB ILE 63 -0.280 -6.269 -8.612 519 HG12 ILE 63 2HG1 ILE 63 0.639 -5.721 -5.750 520 HG13 ILE 63 3HG1 ILE 63 -0.872 -5.125 -6.432 521 HG21 ILE 63 1HG2 ILE 63 2.023 -7.060 -8.983 522 HG22 ILE 63 2HG2 ILE 63 1.273 -7.975 -7.679 523 HG23 ILE 63 3HG2 ILE 63 2.443 -6.706 -7.303 524 HD11 ILE 63 1HD1 ILE 63 -1.620 -7.420 -6.781 525 HD12 ILE 63 2HD1 ILE 63 -1.229 -7.093 -5.093 526 HD13 ILE 63 3HD1 ILE 63 -0.107 -8.014 -6.091 527 H LYS 64 H LYS 64 -0.176 -4.713 -10.597 528 HA LYS 64 HA LYS 64 1.828 -5.699 -12.297 529 HB2 LYS 64 2HB LYS 64 -0.598 -3.977 -12.954 530 HB3 LYS 64 3HB LYS 64 0.367 -4.825 -14.159 531 HG2 LYS 64 2HG LYS 64 -0.348 -6.971 -13.344 532 HG3 LYS 64 3HG LYS 64 -1.089 -6.244 -11.915 533 HD2 LYS 64 2HD LYS 64 -2.717 -5.060 -13.397 534 HD3 LYS 64 3HD LYS 64 -2.013 -5.887 -14.791 535 HE2 LYS 64 2HE LYS 64 -2.709 -8.053 -13.895 536 HE3 LYS 64 3HE LYS 64 -3.313 -7.282 -12.425 537 HZ1 LYS 64 1HZ LYS 64 -5.067 -7.785 -14.039 538 HZ2 LYS 64 2HZ LYS 64 -4.349 -6.752 -15.154 539 HZ3 LYS 64 3HZ LYS 64 -4.961 -6.133 -13.708 540 H GLN 65 H GLN 65 0.811 -2.389 -11.568 541 HA GLN 65 HA GLN 65 2.636 -1.090 -13.370 542 HB2 GLN 65 2HB GLN 65 1.099 0.018 -10.995 543 HB3 GLN 65 3HB GLN 65 1.880 0.987 -12.243 544 HG2 GLN 65 2HG GLN 65 -0.493 -0.860 -12.576 545 HG3 GLN 65 3HG GLN 65 -0.488 0.895 -12.658 546 HE21 GLN 65 1HE2 GLN 65 0.460 1.897 -14.479 547 HE22 GLN 65 2HE2 GLN 65 0.695 1.049 -15.968 548 H VAL 66 H VAL 66 2.927 -2.256 -10.090 549 HA VAL 66 HA VAL 66 5.392 -0.809 -9.543 550 HB VAL 66 HB VAL 66 4.037 -3.051 -7.979 551 HG11 VAL 66 1HG1 VAL 66 5.508 -2.394 -6.095 552 HG12 VAL 66 2HG1 VAL 66 6.350 -1.259 -7.145 553 HG13 VAL 66 3HG1 VAL 66 6.431 -2.991 -7.468 554 HG21 VAL 66 1HG2 VAL 66 2.668 -0.998 -8.064 555 HG22 VAL 66 2HG2 VAL 66 4.025 -0.046 -7.464 556 HG23 VAL 66 3HG2 VAL 66 3.284 -1.277 -6.436 557 H LEU 67 H LEU 67 4.439 -3.972 -10.777 558 HA LEU 67 HA LEU 67 7.031 -5.184 -10.847 559 HB2 LEU 67 2HB LEU 67 4.670 -5.650 -12.731 560 HB3 LEU 67 3HB LEU 67 6.066 -6.704 -12.561 561 HG LEU 67 HG LEU 67 3.990 -6.192 -10.400 562 HD11 LEU 67 1HD1 LEU 67 3.016 -7.448 -12.249 563 HD12 LEU 67 2HD1 LEU 67 3.179 -8.460 -10.817 564 HD13 LEU 67 3HD1 LEU 67 4.319 -8.638 -12.154 565 HD21 LEU 67 1HD2 LEU 67 5.053 -8.039 -9.163 566 HD22 LEU 67 2HD2 LEU 67 6.167 -6.699 -9.409 567 HD23 LEU 67 3HD2 LEU 67 6.309 -8.151 -10.402 568 H ASP 68 H ASP 68 5.096 -3.314 -13.132 569 HA ASP 68 HA ASP 68 6.838 -2.854 -15.250 570 HB2 ASP 68 2HB ASP 68 4.492 -2.243 -15.385 571 HB3 ASP 68 3HB ASP 68 4.618 -1.178 -13.999 572 H SER 69 H SER 69 6.476 -1.153 -12.156 573 HA SER 69 HA SER 69 8.475 0.835 -12.755 574 HB2 SER 69 2HB SER 69 6.435 1.252 -11.278 575 HB3 SER 69 3HB SER 69 7.217 0.276 -10.041 576 HG SER 69 HG SER 69 8.675 1.815 -9.709 577 H GLY 70 H GLY 70 8.564 -2.354 -11.460 578 HA2 GLY 70 2HA GLY 70 10.189 -3.661 -10.469 579 HA3 GLY 70 3HA GLY 70 11.365 -2.482 -11.050 580 H ALA 71 H ALA 71 8.712 -1.692 -8.894 581 HA ALA 71 HA ALA 71 10.616 -0.571 -6.937 582 HB1 ALA 71 1HB ALA 71 9.016 0.990 -7.998 583 HB2 ALA 71 2HB ALA 71 8.709 0.865 -6.265 584 HB3 ALA 71 3HB ALA 71 7.663 0.022 -7.410 585 H LYS 72 H LYS 72 9.511 -0.425 -4.642 586 HA LYS 72 HA LYS 72 8.771 -3.107 -3.727 587 HB2 LYS 72 2HB LYS 72 9.525 -0.549 -2.262 588 HB3 LYS 72 3HB LYS 72 8.871 -1.938 -1.407 589 HG2 LYS 72 2HG LYS 72 11.233 -2.026 -1.153 590 HG3 LYS 72 3HG LYS 72 10.791 -3.303 -2.277 591 HD2 LYS 72 2HD LYS 72 12.798 -2.252 -3.093 592 HD3 LYS 72 3HD LYS 72 11.481 -1.776 -4.168 593 HE2 LYS 72 2HE LYS 72 11.309 0.389 -2.976 594 HE3 LYS 72 3HE LYS 72 12.638 -0.089 -1.917 595 HZ1 LYS 72 1HZ LYS 72 14.060 -0.227 -3.891 596 HZ2 LYS 72 2HZ LYS 72 13.425 1.326 -3.675 597 HZ3 LYS 72 3HZ LYS 72 12.777 0.302 -4.852 598 H VAL 73 H VAL 73 6.785 -3.617 -2.829 599 HA VAL 73 HA VAL 73 4.757 -1.544 -2.451 600 HB VAL 73 HB VAL 73 4.350 -2.234 -4.757 601 HG11 VAL 73 1HG1 VAL 73 3.758 -4.552 -5.388 602 HG12 VAL 73 2HG1 VAL 73 4.146 -5.086 -3.751 603 HG13 VAL 73 3HG1 VAL 73 5.412 -4.424 -4.783 604 HG21 VAL 73 1HG2 VAL 73 1.977 -2.933 -4.606 605 HG22 VAL 73 2HG2 VAL 73 2.367 -1.699 -3.408 606 HG23 VAL 73 3HG2 VAL 73 2.216 -3.386 -2.915 607 H LEU 74 H LEU 74 3.419 -1.936 -0.813 608 HA LEU 74 HA LEU 74 3.361 -4.599 0.464 609 HB2 LEU 74 2HB LEU 74 4.445 -3.037 1.973 610 HB3 LEU 74 3HB LEU 74 3.189 -1.836 1.726 611 HG LEU 74 HG LEU 74 1.568 -3.174 2.951 612 HD11 LEU 74 1HD1 LEU 74 2.204 -5.418 2.292 613 HD12 LEU 74 2HD1 LEU 74 2.142 -5.307 4.047 614 HD13 LEU 74 3HD1 LEU 74 3.703 -5.307 3.221 615 HD21 LEU 74 1HD2 LEU 74 2.543 -3.127 5.215 616 HD22 LEU 74 2HD2 LEU 74 2.983 -1.687 4.301 617 HD23 LEU 74 3HD2 LEU 74 4.164 -2.980 4.526 618 H ILE 75 H ILE 75 1.547 -5.500 -0.145 619 HA ILE 75 HA ILE 75 -0.949 -4.054 -0.505 620 HB ILE 75 HB ILE 75 -0.233 -7.001 -0.812 621 HG12 ILE 75 2HG1 ILE 75 0.757 -5.672 -2.581 622 HG13 ILE 75 3HG1 ILE 75 -0.622 -6.512 -3.271 623 HG21 ILE 75 1HG2 ILE 75 -2.912 -5.683 -1.394 624 HG22 ILE 75 2HG2 ILE 75 -2.581 -6.859 -0.123 625 HG23 ILE 75 3HG2 ILE 75 -2.473 -7.343 -1.816 626 HD11 ILE 75 1HD1 ILE 75 -0.506 -4.247 -4.118 627 HD12 ILE 75 2HD1 ILE 75 -0.515 -3.590 -2.483 628 HD13 ILE 75 3HD1 ILE 75 -1.941 -4.419 -3.109 629 H LEU 76 H LEU 76 -1.784 -3.426 1.362 630 HA LEU 76 HA LEU 76 -2.183 -5.326 3.569 631 HB2 LEU 76 2HB LEU 76 -2.707 -2.329 3.356 632 HB3 LEU 76 3HB LEU 76 -3.070 -3.304 4.774 633 HG LEU 76 HG LEU 76 -0.291 -2.809 3.636 634 HD11 LEU 76 1HD1 LEU 76 0.129 -1.480 5.646 635 HD12 LEU 76 2HD1 LEU 76 -1.531 -1.733 6.190 636 HD13 LEU 76 3HD1 LEU 76 -1.213 -0.805 4.722 637 HD21 LEU 76 1HD2 LEU 76 -1.115 -4.368 6.114 638 HD22 LEU 76 2HD2 LEU 76 0.543 -3.982 5.642 639 HD23 LEU 76 3HD2 LEU 76 -0.431 -5.042 4.630 640 H SER 77 H SER 77 -4.008 -6.435 3.599 641 HA SER 77 HA SER 77 -6.526 -5.289 2.606 642 HB2 SER 77 2HB SER 77 -5.555 -8.104 1.895 643 HB3 SER 77 3HB SER 77 -7.094 -7.382 1.427 644 HG SER 77 HG SER 77 -5.702 -5.722 0.367 645 H SER 78 H SER 78 -8.265 -5.954 3.842 646 HA SER 78 HA SER 78 -7.650 -6.630 6.540 647 HB2 SER 78 2HB SER 78 -10.345 -6.333 5.150 648 HB3 SER 78 3HB SER 78 -10.076 -6.311 6.893 649 HG SER 78 HG SER 78 -9.996 -4.220 6.487 650 H ASP 79 H ASP 79 -8.922 -8.391 3.820 651 HA ASP 79 HA ASP 79 -9.590 -10.774 5.384 652 HB2 ASP 79 2HB ASP 79 -11.236 -9.958 3.741 653 HB3 ASP 79 3HB ASP 79 -10.050 -10.115 2.447 654 H GLU 80 H GLU 80 -8.411 -12.605 5.377 655 HA GLU 80 HA GLU 80 -5.708 -12.560 4.382 656 HB2 GLU 80 2HB GLU 80 -7.277 -14.712 5.838 657 HB3 GLU 80 3HB GLU 80 -5.578 -14.873 5.397 658 HG2 GLU 80 2HG GLU 80 -5.046 -12.904 6.792 659 HG3 GLU 80 3HG GLU 80 -6.743 -12.802 7.269 660 H ASN 81 H ASN 81 -8.695 -13.843 3.100 661 HA ASN 81 HA ASN 81 -7.437 -15.918 1.503 662 HB2 ASN 81 2HB ASN 81 -10.218 -14.727 1.132 663 HB3 ASN 81 3HB ASN 81 -9.634 -16.264 0.500 664 HD21 ASN 81 1HD2 ASN 81 -10.834 -14.565 3.265 665 HD22 ASN 81 2HD2 ASN 81 -11.033 -15.932 4.303 666 H ILE 82 H ILE 82 -8.485 -12.569 1.121 667 HA ILE 82 HA ILE 82 -7.872 -12.245 -1.640 668 HB ILE 82 HB ILE 82 -7.892 -10.157 0.594 669 HG12 ILE 82 2HG1 ILE 82 -10.046 -10.963 -1.415 670 HG13 ILE 82 3HG1 ILE 82 -10.083 -11.244 0.317 671 HG21 ILE 82 1HG2 ILE 82 -8.082 -8.452 -1.197 672 HG22 ILE 82 2HG2 ILE 82 -7.910 -9.709 -2.424 673 HG23 ILE 82 3HG2 ILE 82 -6.572 -9.350 -1.331 674 HD11 ILE 82 1HD1 ILE 82 -10.181 -8.556 -1.035 675 HD12 ILE 82 2HD1 ILE 82 -10.249 -8.848 0.704 676 HD13 ILE 82 3HD1 ILE 82 -11.541 -9.433 -0.339 677 H ILE 83 H ILE 83 -6.020 -11.468 1.336 678 HA ILE 83 HA ILE 83 -3.542 -10.801 0.282 679 HB ILE 83 HB ILE 83 -4.282 -12.268 2.835 680 HG12 ILE 83 2HG1 ILE 83 -4.884 -9.879 2.672 681 HG13 ILE 83 3HG1 ILE 83 -3.695 -10.150 3.937 682 HG21 ILE 83 1HG2 ILE 83 -1.989 -11.989 3.726 683 HG22 ILE 83 2HG2 ILE 83 -1.442 -11.450 2.140 684 HG23 ILE 83 3HG2 ILE 83 -2.029 -13.097 2.353 685 HD11 ILE 83 1HD1 ILE 83 -3.212 -8.108 2.722 686 HD12 ILE 83 2HD1 ILE 83 -3.146 -8.986 1.195 687 HD13 ILE 83 3HD1 ILE 83 -1.927 -9.283 2.438 688 H GLU 84 H GLU 84 -4.793 -14.061 0.907 689 HA GLU 84 HA GLU 84 -2.459 -15.523 0.273 690 HB2 GLU 84 2HB GLU 84 -4.268 -16.446 1.673 691 HB3 GLU 84 3HB GLU 84 -5.384 -16.391 0.309 692 HG2 GLU 84 2HG GLU 84 -3.998 -18.042 -0.886 693 HG3 GLU 84 3HG GLU 84 -2.883 -18.093 0.481 694 H SER 85 H SER 85 -5.287 -14.539 -1.652 695 HA SER 85 HA SER 85 -4.669 -15.889 -4.041 696 HB2 SER 85 2HB SER 85 -6.231 -13.308 -3.622 697 HB3 SER 85 3HB SER 85 -6.208 -14.243 -5.119 698 HG SER 85 HG SER 85 -8.029 -14.727 -3.812 699 H ILE 86 H ILE 86 -3.772 -12.707 -2.805 700 HA ILE 86 HA ILE 86 -2.391 -11.823 -5.131 701 HB ILE 86 HB ILE 86 -2.196 -10.872 -2.237 702 HG12 ILE 86 2HG1 ILE 86 -4.461 -10.569 -3.052 703 HG13 ILE 86 3HG1 ILE 86 -3.694 -8.990 -3.061 704 HG21 ILE 86 1HG2 ILE 86 -1.250 -8.766 -3.129 705 HG22 ILE 86 2HG2 ILE 86 -1.178 -9.488 -4.739 706 HG23 ILE 86 3HG2 ILE 86 -0.200 -10.150 -3.430 707 HD11 ILE 86 1HD1 ILE 86 -4.201 -10.750 -5.472 708 HD12 ILE 86 2HD1 ILE 86 -3.381 -9.187 -5.507 709 HD13 ILE 86 3HD1 ILE 86 -5.075 -9.282 -5.028 710 H ARG 87 H ARG 87 -1.459 -13.798 -2.378 711 HA ARG 87 HA ARG 87 1.379 -13.735 -2.889 712 HB2 ARG 87 2HB ARG 87 -0.249 -15.682 -1.214 713 HB3 ARG 87 3HB ARG 87 1.512 -15.607 -1.253 714 HG2 ARG 87 2HG ARG 87 1.358 -13.244 -0.389 715 HG3 ARG 87 3HG ARG 87 -0.380 -13.478 -0.220 716 HD2 ARG 87 2HD ARG 87 1.809 -14.993 1.232 717 HD3 ARG 87 3HD ARG 87 0.687 -13.824 1.931 718 HE ARG 87 HE ARG 87 -0.545 -16.148 0.696 719 HH11 ARG 87 1HH1 ARG 87 0.651 -14.800 3.726 720 HH12 ARG 87 2HH1 ARG 87 -0.272 -15.895 4.700 721 HH21 ARG 87 1HH2 ARG 87 -1.681 -17.596 1.986 722 HH22 ARG 87 2HH2 ARG 87 -1.593 -17.482 3.714 723 H LYS 88 H LYS 88 -1.266 -15.995 -3.744 724 HA LYS 88 HA LYS 88 0.476 -18.033 -4.771 725 HB2 LYS 88 2HB LYS 88 -1.544 -19.160 -5.592 726 HB3 LYS 88 3HB LYS 88 -1.780 -18.596 -3.944 727 HG2 LYS 88 2HG LYS 88 -2.975 -16.584 -4.936 728 HG3 LYS 88 3HG LYS 88 -2.932 -17.421 -6.482 729 HD2 LYS 88 2HD LYS 88 -4.205 -18.635 -3.999 730 HD3 LYS 88 3HD LYS 88 -5.093 -17.584 -5.095 731 HE2 LYS 88 2HE LYS 88 -5.628 -19.820 -5.696 732 HE3 LYS 88 3HE LYS 88 -4.553 -19.212 -6.949 733 HZ1 LYS 88 1HZ LYS 88 -3.761 -20.975 -4.699 734 HZ2 LYS 88 2HZ LYS 88 -2.743 -20.440 -5.938 735 HZ3 LYS 88 3HZ LYS 88 -4.031 -21.471 -6.289 736 H GLN 89 H GLN 89 -1.202 -15.279 -6.208 737 HA GLN 89 HA GLN 89 -0.340 -15.805 -8.910 738 HB2 GLN 89 2HB GLN 89 -1.323 -13.243 -7.584 739 HB3 GLN 89 3HB GLN 89 -1.075 -13.447 -9.318 740 HG2 GLN 89 2HG GLN 89 -2.853 -15.116 -9.421 741 HG3 GLN 89 3HG GLN 89 -3.045 -15.064 -7.667 742 HE21 GLN 89 1HE2 GLN 89 -4.010 -13.218 -6.723 743 HE22 GLN 89 2HE2 GLN 89 -4.972 -12.126 -7.633 744 H TYR 90 H TYR 90 0.706 -13.541 -6.349 745 HA TYR 90 HA TYR 90 3.324 -13.165 -7.690 746 HB2 TYR 90 2HB TYR 90 2.084 -11.011 -5.937 747 HB3 TYR 90 3HB TYR 90 3.333 -10.848 -7.164 748 HD1 TYR 90 HD1 TYR 90 2.653 -10.831 -9.616 749 HD2 TYR 90 HD2 TYR 90 -0.259 -10.786 -6.486 750 HE1 TYR 90 HE1 TYR 90 0.960 -10.030 -11.201 751 HE2 TYR 90 HE2 TYR 90 -1.952 -9.992 -8.075 752 HH TYR 90 HH TYR 90 -2.069 -8.799 -10.205 753 HA PRO 91 HA PRO 91 4.275 -14.802 -3.430 754 HB2 PRO 91 2HB PRO 91 6.607 -16.079 -4.089 755 HB3 PRO 91 3HB PRO 91 5.012 -16.800 -4.385 756 HG2 PRO 91 2HG PRO 91 6.810 -15.355 -6.308 757 HG3 PRO 91 3HG PRO 91 5.908 -16.871 -6.533 758 HD2 PRO 91 2HD PRO 91 5.009 -14.486 -7.487 759 HD3 PRO 91 3HD PRO 91 3.904 -15.774 -6.955 760 H LYS 92 H LYS 92 5.977 -12.725 -5.623 761 HA LYS 92 HA LYS 92 8.224 -12.097 -3.930 762 HB2 LYS 92 2HB LYS 92 7.302 -10.776 -6.513 763 HB3 LYS 92 3HB LYS 92 8.886 -10.604 -5.771 764 HG2 LYS 92 2HG LYS 92 7.785 -13.210 -6.885 765 HG3 LYS 92 3HG LYS 92 8.811 -12.100 -7.785 766 HD2 LYS 92 2HD LYS 92 10.389 -13.646 -7.056 767 HD3 LYS 92 3HD LYS 92 10.491 -12.447 -5.772 768 HE2 LYS 92 2HE LYS 92 8.985 -13.864 -4.374 769 HE3 LYS 92 3HE LYS 92 8.971 -15.078 -5.654 770 HZ1 LYS 92 1HZ LYS 92 11.413 -14.121 -4.264 771 HZ2 LYS 92 2HZ LYS 92 11.319 -15.394 -5.370 772 HZ3 LYS 92 3HZ LYS 92 10.579 -15.531 -3.859 773 H VAL 93 H VAL 93 5.026 -10.851 -4.171 774 HA VAL 93 HA VAL 93 5.646 -8.120 -3.401 775 HB VAL 93 HB VAL 93 3.671 -8.565 -4.807 776 HG11 VAL 93 1HG1 VAL 93 3.031 -10.762 -3.951 777 HG12 VAL 93 2HG1 VAL 93 1.655 -9.665 -3.948 778 HG13 VAL 93 3HG1 VAL 93 2.486 -10.043 -2.435 779 HG21 VAL 93 1HG2 VAL 93 2.000 -7.194 -3.637 780 HG22 VAL 93 2HG2 VAL 93 3.617 -6.551 -3.371 781 HG23 VAL 93 3HG2 VAL 93 2.818 -7.465 -2.093 782 H GLU 94 H GLU 94 5.496 -7.193 -1.349 783 HA GLU 94 HA GLU 94 5.350 -8.861 0.998 784 HB2 GLU 94 2HB GLU 94 5.312 -5.812 0.709 785 HB3 GLU 94 3HB GLU 94 5.437 -6.669 2.241 786 HG2 GLU 94 2HG GLU 94 7.463 -6.749 -0.008 787 HG3 GLU 94 3HG GLU 94 7.603 -5.805 1.475 788 H THR 95 H THR 95 3.449 -9.662 1.667 789 HA THR 95 HA THR 95 0.968 -8.056 1.435 790 HB THR 95 HB THR 95 -0.146 -10.428 1.507 791 HG1 THR 95 HG1 THR 95 2.417 -11.174 0.522 792 HG21 THR 95 1HG2 THR 95 0.057 -10.752 -0.938 793 HG22 THR 95 2HG2 THR 95 1.398 -9.604 -0.983 794 HG23 THR 95 3HG2 THR 95 -0.218 -9.057 -0.534 795 H ARG 96 H ARG 96 -0.358 -7.984 3.225 796 HA ARG 96 HA ARG 96 0.107 -9.587 5.579 797 HB2 ARG 96 2HB ARG 96 1.886 -7.992 5.938 798 HB3 ARG 96 3HB ARG 96 0.840 -6.634 5.543 799 HG2 ARG 96 2HG ARG 96 -0.437 -6.971 7.600 800 HG3 ARG 96 3HG ARG 96 0.506 -8.414 7.979 801 HD2 ARG 96 2HD ARG 96 2.482 -7.132 8.385 802 HD3 ARG 96 3HD ARG 96 1.781 -5.682 7.660 803 HE ARG 96 HE ARG 96 0.133 -6.310 9.763 804 HH11 ARG 96 1HH1 ARG 96 3.565 -5.541 9.492 805 HH12 ARG 96 2HH1 ARG 96 3.639 -4.828 11.068 806 HH21 ARG 96 1HH2 ARG 96 0.215 -5.247 11.731 807 HH22 ARG 96 2HH2 ARG 96 1.729 -4.654 12.343 808 H ARG 97 H ARG 97 -1.811 -9.934 6.488 809 HA ARG 97 HA ARG 97 -4.223 -8.601 5.954 810 HB2 ARG 97 2HB ARG 97 -4.265 -10.832 6.923 811 HB3 ARG 97 3HB ARG 97 -3.341 -10.298 8.325 812 HG2 ARG 97 2HG ARG 97 -5.324 -8.784 8.901 813 HG3 ARG 97 3HG ARG 97 -6.234 -9.646 7.656 814 HD2 ARG 97 2HD ARG 97 -6.613 -10.511 9.977 815 HD3 ARG 97 3HD ARG 97 -5.997 -11.737 8.865 816 HE ARG 97 HE ARG 97 -3.931 -10.386 10.369 817 HH11 ARG 97 1HH1 ARG 97 -6.212 -13.068 10.489 818 HH12 ARG 97 2HH1 ARG 97 -5.290 -13.956 11.655 819 HH21 ARG 97 1HH2 ARG 97 -2.712 -11.582 11.862 820 HH22 ARG 97 2HH2 ARG 97 -3.293 -13.108 12.440 821 H ALA 98 H ALA 98 -4.995 -6.674 6.681 822 HA ALA 98 HA ALA 98 -4.268 -5.648 9.339 823 HB1 ALA 98 1HB ALA 98 -3.959 -3.999 6.791 824 HB2 ALA 98 2HB ALA 98 -2.643 -4.558 7.824 825 HB3 ALA 98 3HB ALA 98 -3.805 -3.376 8.438 826 H GLN 99 H GLN 99 -6.296 -5.635 10.202 827 HA GLN 99 HA GLN 99 -8.639 -5.135 8.493 828 HB2 GLN 99 2HB GLN 99 -8.419 -6.160 11.351 829 HB3 GLN 99 3HB GLN 99 -9.954 -5.867 10.533 830 HG2 GLN 99 2HG GLN 99 -9.337 -7.524 8.796 831 HG3 GLN 99 3HG GLN 99 -7.821 -7.831 9.644 832 HE21 GLN 99 1HE2 GLN 99 -8.389 -10.027 9.827 833 HE22 GLN 99 2HE2 GLN 99 -9.551 -10.580 10.974 834 H ASP 100 H ASP 100 -7.352 -3.931 11.611 835 HA ASP 100 HA ASP 100 -9.103 -1.593 11.467 836 HB2 ASP 100 2HB ASP 100 -8.719 -2.987 13.621 837 HB3 ASP 100 3HB ASP 100 -7.141 -2.210 13.713 838 H LYS 101 H LYS 101 -8.293 0.527 11.663 839 HA LYS 101 HA LYS 101 -6.144 1.227 9.984 840 HB2 LYS 101 2HB LYS 101 -6.622 3.566 10.847 841 HB3 LYS 101 3HB LYS 101 -8.002 2.706 10.181 842 HG2 LYS 101 2HG LYS 101 -8.716 2.127 12.519 843 HG3 LYS 101 3HG LYS 101 -7.386 3.118 13.127 844 HD2 LYS 101 2HD LYS 101 -8.374 5.094 11.958 845 HD3 LYS 101 3HD LYS 101 -9.727 4.086 11.443 846 HE2 LYS 101 2HE LYS 101 -10.455 3.787 13.724 847 HE3 LYS 101 3HE LYS 101 -9.006 4.572 14.351 848 HZ1 LYS 101 1HZ LYS 101 -10.826 6.098 14.409 849 HZ2 LYS 101 2HZ LYS 101 -11.172 5.852 12.775 850 HZ3 LYS 101 3HZ LYS 101 -9.740 6.627 13.225 851 H GLU 102 H GLU 102 -6.217 0.656 13.450 852 HA GLU 102 HA GLU 102 -3.698 1.655 14.231 853 HB2 GLU 102 2HB GLU 102 -5.209 -0.825 15.156 854 HB3 GLU 102 3HB GLU 102 -3.784 -0.195 15.979 855 HG2 GLU 102 2HG GLU 102 -6.356 1.355 15.605 856 HG3 GLU 102 3HG GLU 102 -6.000 0.368 17.015 857 H GLU 103 H GLU 103 -4.652 -1.516 13.015 858 HA GLU 103 HA GLU 103 -2.081 -2.703 12.970 859 HB2 GLU 103 2HB GLU 103 -4.570 -3.460 11.385 860 HB3 GLU 103 3HB GLU 103 -3.190 -4.507 11.697 861 HG2 GLU 103 2HG GLU 103 -3.708 -4.380 14.144 862 HG3 GLU 103 3HG GLU 103 -5.149 -3.439 13.753 863 H VAL 104 H VAL 104 -3.847 -0.781 10.610 864 HA VAL 104 HA VAL 104 -2.240 -1.382 8.322 865 HB VAL 104 HB VAL 104 -3.925 1.112 8.825 866 HG11 VAL 104 1HG1 VAL 104 -2.871 -0.025 6.202 867 HG12 VAL 104 2HG1 VAL 104 -2.324 1.455 6.994 868 HG13 VAL 104 3HG1 VAL 104 -3.961 1.353 6.362 869 HG21 VAL 104 1HG2 VAL 104 -4.722 -1.485 7.445 870 HG22 VAL 104 2HG2 VAL 104 -5.705 -0.021 7.538 871 HG23 VAL 104 3HG2 VAL 104 -5.308 -0.905 9.007 872 H LYS 105 H LYS 105 -2.293 1.433 10.564 873 HA LYS 105 HA LYS 105 -0.126 2.817 9.335 874 HB2 LYS 105 2HB LYS 105 -0.159 4.318 11.251 875 HB3 LYS 105 3HB LYS 105 -1.814 3.943 10.796 876 HG2 LYS 105 2HG LYS 105 -1.919 2.294 12.656 877 HG3 LYS 105 3HG LYS 105 -0.283 2.756 13.125 878 HD2 LYS 105 2HD LYS 105 -1.077 5.073 13.548 879 HD3 LYS 105 3HD LYS 105 -2.712 4.584 13.107 880 HE2 LYS 105 2HE LYS 105 -2.721 2.958 14.978 881 HE3 LYS 105 3HE LYS 105 -1.105 3.489 15.438 882 HZ1 LYS 105 1HZ LYS 105 -2.799 4.525 16.787 883 HZ2 LYS 105 2HZ LYS 105 -3.548 5.169 15.417 884 HZ3 LYS 105 3HZ LYS 105 -2.010 5.697 15.861 885 H ASP 106 H ASP 106 -0.255 0.503 12.029 886 HA ASP 106 HA ASP 106 2.439 0.486 12.782 887 HB2 ASP 106 2HB ASP 106 0.601 -0.612 14.050 888 HB3 ASP 106 3HB ASP 106 0.437 -1.812 12.772 889 H ALA 107 H ALA 107 0.735 -1.308 10.244 890 HA ALA 107 HA ALA 107 2.886 -2.968 9.387 891 HB1 ALA 107 1HB ALA 107 0.531 -3.485 8.906 892 HB2 ALA 107 2HB ALA 107 1.474 -3.413 7.419 893 HB3 ALA 107 3HB ALA 107 0.420 -2.066 7.862 894 H VAL 108 H VAL 108 1.750 0.222 8.434 895 HA VAL 108 HA VAL 108 3.449 0.668 6.208 896 HB VAL 108 HB VAL 108 2.085 2.640 8.096 897 HG11 VAL 108 1HG1 VAL 108 4.031 3.755 7.071 898 HG12 VAL 108 2HG1 VAL 108 2.528 4.409 6.432 899 HG13 VAL 108 3HG1 VAL 108 3.479 3.283 5.461 900 HG21 VAL 108 1HG2 VAL 108 1.338 1.764 5.272 901 HG22 VAL 108 2HG2 VAL 108 0.462 2.925 6.273 902 HG23 VAL 108 3HG2 VAL 108 0.546 1.237 6.761 903 H GLU 109 H GLU 109 3.684 1.807 9.585 904 HA GLU 109 HA GLU 109 6.199 2.950 9.652 905 HB2 GLU 109 2HB GLU 109 4.609 3.007 11.565 906 HB3 GLU 109 3HB GLU 109 4.838 1.282 11.821 907 HG2 GLU 109 2HG GLU 109 7.325 1.853 12.234 908 HG3 GLU 109 3HG GLU 109 6.792 3.531 12.333 909 H GLU 110 H GLU 110 5.294 -0.433 9.974 910 HA GLU 110 HA GLU 110 7.766 -1.555 10.705 911 HB2 GLU 110 2HB GLU 110 5.441 -2.642 10.845 912 HB3 GLU 110 3HB GLU 110 5.562 -2.951 9.120 913 HG2 GLU 110 2HG GLU 110 6.136 -4.962 10.285 914 HG3 GLU 110 3HG GLU 110 7.602 -4.320 9.543 915 H PHE 111 H PHE 111 6.178 -1.333 7.512 916 HA PHE 111 HA PHE 111 8.149 -2.482 5.876 917 HB2 PHE 111 2HB PHE 111 5.742 -1.941 5.306 918 HB3 PHE 111 3HB PHE 111 6.202 -0.258 5.140 919 HD1 PHE 111 HD1 PHE 111 6.767 -3.670 3.685 920 HD2 PHE 111 HD2 PHE 111 7.029 0.549 3.017 921 HE1 PHE 111 HE1 PHE 111 7.137 -4.057 1.287 922 HE2 PHE 111 HE2 PHE 111 7.401 0.140 0.620 923 HZ PHE 111 HZ PHE 111 7.450 -2.165 -0.248 924 H LEU 112 H LEU 112 7.852 0.755 7.166 925 HA LEU 112 HA LEU 112 9.858 2.019 5.532 926 HB2 LEU 112 2HB LEU 112 8.625 2.893 8.172 927 HB3 LEU 112 3HB LEU 112 9.568 3.920 7.097 928 HG LEU 112 HG LEU 112 6.927 2.629 6.333 929 HD11 LEU 112 1HD1 LEU 112 6.579 4.258 8.133 930 HD12 LEU 112 2HD1 LEU 112 5.864 4.788 6.615 931 HD13 LEU 112 3HD1 LEU 112 7.381 5.501 7.168 932 HD21 LEU 112 1HD2 LEU 112 8.571 4.733 4.909 933 HD22 LEU 112 2HD2 LEU 112 6.972 4.169 4.420 934 HD23 LEU 112 3HD2 LEU 112 8.334 3.057 4.406 935 H LYS 113 H LYS 113 9.799 0.868 8.940 936 HA LYS 113 HA LYS 113 12.386 1.689 9.677 937 HB2 LYS 113 2HB LYS 113 10.707 -0.600 10.803 938 HB3 LYS 113 3HB LYS 113 12.164 0.032 11.563 939 HG2 LYS 113 2HG LYS 113 11.040 2.228 11.832 940 HG3 LYS 113 3HG LYS 113 9.576 1.544 11.134 941 HD2 LYS 113 2HD LYS 113 10.900 0.643 13.729 942 HD3 LYS 113 3HD LYS 113 9.459 1.648 13.603 943 HE2 LYS 113 2HE LYS 113 8.615 -0.500 14.089 944 HE3 LYS 113 3HE LYS 113 8.396 -0.356 12.348 945 HZ1 LYS 113 1HZ LYS 113 10.380 -1.700 12.022 946 HZ2 LYS 113 2HZ LYS 113 9.273 -2.519 12.985 947 HZ3 LYS 113 3HZ LYS 113 10.627 -1.794 13.686 948 H GLU 114 H GLU 114 11.177 -1.363 8.368 949 HA GLU 114 HA GLU 114 13.722 -2.743 8.576 950 HB2 GLU 114 2HB GLU 114 11.237 -3.675 7.105 951 HB3 GLU 114 3HB GLU 114 12.549 -4.674 7.712 952 HG2 GLU 114 2HG GLU 114 10.405 -3.243 9.285 953 HG3 GLU 114 3HG GLU 114 10.636 -4.979 9.122 954 H GLY 115 H GLY 115 12.479 -0.518 6.374 955 HA2 GLY 115 2HA GLY 115 13.639 0.446 4.617 956 HA3 GLY 115 3HA GLY 115 14.782 -0.882 4.652 957 H GLY 116 H GLY 116 11.341 -0.319 3.871 958 HA2 GLY 116 2HA GLY 116 10.183 -0.597 1.896 959 HA3 GLY 116 3HA GLY 116 11.699 -0.965 1.097 960 H SER 117 H SER 117 10.728 -2.860 3.854 961 HA SER 117 HA SER 117 9.253 -4.880 2.454 962 HB2 SER 117 2HB SER 117 11.498 -5.463 1.574 963 HB3 SER 117 3HB SER 117 12.160 -5.495 3.206 964 HG SER 117 HG SER 117 9.995 -7.133 2.922 965 H LEU 118 H LEU 118 8.027 -5.927 3.981 966 HA LEU 118 HA LEU 118 8.323 -5.446 6.797 967 HB2 LEU 118 2HB LEU 118 6.693 -7.572 5.351 968 HB3 LEU 118 3HB LEU 118 6.555 -7.202 7.063 969 HG LEU 118 HG LEU 118 5.776 -5.380 4.761 970 HD11 LEU 118 1HD1 LEU 118 4.252 -7.243 5.014 971 HD12 LEU 118 2HD1 LEU 118 3.474 -5.773 5.591 972 HD13 LEU 118 3HD1 LEU 118 4.105 -6.947 6.749 973 HD21 LEU 118 1HD2 LEU 118 4.838 -3.891 6.498 974 HD22 LEU 118 2HD2 LEU 118 6.587 -4.037 6.629 975 HD23 LEU 118 3HD2 LEU 118 5.549 -4.913 7.755 976 H GLU 119 H GLU 119 8.287 -8.570 5.090 977 HA GLU 119 HA GLU 119 10.356 -10.023 6.120 978 HB2 GLU 119 2HB GLU 119 9.685 -9.327 8.396 979 HB3 GLU 119 3HB GLU 119 8.029 -9.836 8.105 980 HG2 GLU 119 2HG GLU 119 8.800 -12.195 7.993 981 HG3 GLU 119 3HG GLU 119 10.443 -11.658 8.345 982 H HIS 120 H HIS 120 10.130 -11.801 4.770 983 HA HIS 120 HA HIS 120 7.489 -12.870 4.119 984 HB2 HIS 120 2HB HIS 120 10.275 -13.904 3.439 985 HB3 HIS 120 3HB HIS 120 8.781 -14.683 2.929 986 HD1 HIS 120 HD1 HIS 120 7.508 -13.631 0.939 987 HD2 HIS 120 HD2 HIS 120 10.831 -11.422 2.112 988 HE1 HIS 120 HE1 HIS 120 7.877 -11.951 -0.889 989 HE2 HIS 120 HE2 HIS 120 9.710 -10.461 -0.005 990 H HIS 121 H HIS 121 6.796 -13.204 6.269 991 HA HIS 121 HA HIS 121 8.059 -14.908 8.126 992 HB2 HIS 121 2HB HIS 121 5.834 -14.992 9.302 993 HB3 HIS 121 3HB HIS 121 6.480 -13.387 9.027 994 HD1 HIS 121 HD1 HIS 121 3.374 -14.633 9.355 995 HD2 HIS 121 HD2 HIS 121 5.131 -12.635 6.165 996 HE1 HIS 121 HE1 HIS 121 1.480 -13.522 8.129 997 HE2 HIS 121 HE2 HIS 121 2.549 -12.445 6.123 998 H HIS 122 H HIS 122 8.733 -16.755 7.245 999 HA HIS 122 HA HIS 122 7.298 -18.241 5.337 1000 HB2 HIS 122 2HB HIS 122 9.135 -19.888 5.434 1001 HB3 HIS 122 3HB HIS 122 9.722 -18.245 5.284 1002 HD1 HIS 122 HD1 HIS 122 11.154 -20.939 6.478 1003 HD2 HIS 122 HD2 HIS 122 9.928 -17.555 8.537 1004 HE1 HIS 122 HE1 HIS 122 12.628 -20.820 8.502 1005 HE2 HIS 122 HE2 HIS 122 12.020 -18.640 9.605 1006 H HIS 123 H HIS 123 5.566 -19.366 5.689 1007 HA HIS 123 HA HIS 123 5.085 -20.701 8.264 1008 HB2 HIS 123 2HB HIS 123 2.696 -20.836 7.524 1009 HB3 HIS 123 3HB HIS 123 3.298 -19.194 7.652 1010 HD1 HIS 123 HD1 HIS 123 1.284 -21.196 5.530 1011 HD2 HIS 123 HD2 HIS 123 4.040 -18.166 4.889 1012 HE1 HIS 123 HE1 HIS 123 0.719 -20.250 3.279 1013 HE2 HIS 123 HE2 HIS 123 2.500 -18.529 2.840 1014 H HIS 124 H HIS 124 5.041 -22.815 8.458 1015 HA HIS 124 HA HIS 124 6.375 -24.480 6.589 1016 HB2 HIS 124 2HB HIS 124 4.790 -25.252 9.086 1017 HB3 HIS 124 3HB HIS 124 5.943 -26.285 8.252 1018 HD1 HIS 124 HD1 HIS 124 8.352 -26.103 8.965 1019 HD2 HIS 124 HD2 HIS 124 6.006 -23.035 10.514 1020 HE1 HIS 124 HE1 HIS 124 9.772 -24.983 10.706 1021 HE2 HIS 124 HE2 HIS 124 8.393 -23.038 11.523 1022 H HIS 125 H HIS 125 5.570 -25.996 5.117 1023 HA HIS 125 HA HIS 125 2.885 -27.067 5.485 1024 HB2 HIS 125 2HB HIS 125 2.353 -26.861 2.998 1025 HB3 HIS 125 3HB HIS 125 2.274 -25.369 3.915 1026 HD1 HIS 125 HD1 HIS 125 4.274 -27.083 1.238 1027 HD2 HIS 125 HD2 HIS 125 4.037 -23.376 3.085 1028 HE1 HIS 125 HE1 HIS 125 5.588 -25.526 -0.226 1029 HE2 HIS 125 HE2 HIS 125 5.302 -23.260 0.824 Start of MODEL 11 1 H1 MET 1 1H MET 1 16.325 9.732 0.802 2 H2 MET 1 2H MET 1 15.866 8.112 0.696 3 H3 MET 1 3H MET 1 14.755 9.277 1.219 4 HA MET 1 HA MET 1 14.764 10.334 -0.909 5 HB2 MET 1 2HB MET 1 15.989 9.398 -2.808 6 HB3 MET 1 3HB MET 1 17.117 9.741 -1.506 7 HG2 MET 1 2HG MET 1 17.176 7.353 -0.914 8 HG3 MET 1 3HG MET 1 16.017 7.001 -2.194 9 HE1 MET 1 1HE MET 1 19.723 8.002 -1.324 10 HE2 MET 1 2HE MET 1 19.156 9.444 -2.171 11 HE3 MET 1 3HE MET 1 20.362 8.401 -2.919 12 H GLY 2 H GLY 2 14.001 7.509 0.606 13 HA2 GLY 2 2HA GLY 2 12.705 5.962 -1.380 14 HA3 GLY 2 3HA GLY 2 12.477 5.846 0.355 15 H LYS 3 H LYS 3 11.275 7.240 -2.613 16 HA LYS 3 HA LYS 3 9.262 8.915 -1.559 17 HB2 LYS 3 2HB LYS 3 10.012 9.085 -3.913 18 HB3 LYS 3 3HB LYS 3 9.357 7.487 -4.249 19 HG2 LYS 3 2HG LYS 3 7.875 9.243 -5.104 20 HG3 LYS 3 3HG LYS 3 7.063 8.319 -3.834 21 HD2 LYS 3 2HD LYS 3 7.657 10.139 -2.206 22 HD3 LYS 3 3HD LYS 3 8.365 11.058 -3.537 23 HE2 LYS 3 2HE LYS 3 6.116 11.052 -4.650 24 HE3 LYS 3 3HE LYS 3 5.460 10.263 -3.212 25 HZ1 LYS 3 1HZ LYS 3 5.092 12.622 -3.097 26 HZ2 LYS 3 2HZ LYS 3 6.730 12.949 -3.313 27 HZ3 LYS 3 3HZ LYS 3 6.200 12.189 -1.899 28 H VAL 4 H VAL 4 8.037 7.966 0.014 29 HA VAL 4 HA VAL 4 6.642 5.442 -0.490 30 HB VAL 4 HB VAL 4 6.196 7.183 1.965 31 HG11 VAL 4 1HG1 VAL 4 4.645 5.307 1.595 32 HG12 VAL 4 2HG1 VAL 4 5.620 5.047 3.040 33 HG13 VAL 4 3HG1 VAL 4 5.999 4.172 1.555 34 HG21 VAL 4 1HG2 VAL 4 8.632 6.924 1.824 35 HG22 VAL 4 2HG2 VAL 4 8.464 5.174 1.693 36 HG23 VAL 4 3HG2 VAL 4 7.980 5.999 3.177 37 H VAL 5 H VAL 5 4.641 5.401 -1.291 38 HA VAL 5 HA VAL 5 2.820 7.706 -0.906 39 HB VAL 5 HB VAL 5 3.119 5.928 -3.382 40 HG11 VAL 5 1HG1 VAL 5 0.724 6.182 -2.927 41 HG12 VAL 5 2HG1 VAL 5 1.181 7.106 -4.354 42 HG13 VAL 5 3HG1 VAL 5 0.902 7.937 -2.821 43 HG21 VAL 5 1HG2 VAL 5 4.681 7.833 -3.304 44 HG22 VAL 5 2HG2 VAL 5 3.337 8.954 -3.072 45 HG23 VAL 5 3HG2 VAL 5 3.489 8.058 -4.585 46 H PHE 6 H PHE 6 1.074 7.158 0.238 47 HA PHE 6 HA PHE 6 0.347 4.313 0.572 48 HB2 PHE 6 2HB PHE 6 0.943 5.621 2.628 49 HB3 PHE 6 3HB PHE 6 -0.396 6.716 2.300 50 HD1 PHE 6 HD1 PHE 6 0.299 3.065 2.729 51 HD2 PHE 6 HD2 PHE 6 -2.427 6.281 3.415 52 HE1 PHE 6 HE1 PHE 6 -1.167 1.551 3.985 53 HE2 PHE 6 HE2 PHE 6 -3.890 4.756 4.672 54 HZ PHE 6 HZ PHE 6 -3.261 2.392 4.946 55 H LEU 7 H LEU 7 -1.148 3.797 -0.908 56 HA LEU 7 HA LEU 7 -3.409 5.596 -1.505 57 HB2 LEU 7 2HB LEU 7 -2.315 4.439 -3.408 58 HB3 LEU 7 3HB LEU 7 -2.613 2.879 -2.655 59 HG LEU 7 HG LEU 7 -5.082 3.263 -2.901 60 HD11 LEU 7 1HD1 LEU 7 -5.929 5.041 -4.351 61 HD12 LEU 7 2HD1 LEU 7 -4.309 5.731 -4.475 62 HD13 LEU 7 3HD1 LEU 7 -5.140 5.697 -2.918 63 HD21 LEU 7 1HD2 LEU 7 -3.870 1.941 -4.568 64 HD22 LEU 7 2HD2 LEU 7 -3.534 3.399 -5.506 65 HD23 LEU 7 3HD2 LEU 7 -5.196 2.835 -5.309 66 H SER 8 H SER 8 -5.262 5.378 -0.304 67 HA SER 8 HA SER 8 -5.778 2.845 1.136 68 HB2 SER 8 2HB SER 8 -4.883 4.503 2.720 69 HB3 SER 8 3HB SER 8 -6.090 5.676 2.211 70 HG SER 8 HG SER 8 -7.065 4.819 3.905 71 H ASP 9 H ASP 9 -7.981 2.596 1.793 72 HA ASP 9 HA ASP 9 -9.891 3.498 -0.255 73 HB2 ASP 9 2HB ASP 9 -11.201 1.541 0.383 74 HB3 ASP 9 3HB ASP 9 -9.539 1.040 0.110 75 H ASP 10 H ASP 10 -9.121 3.813 3.121 76 HA ASP 10 HA ASP 10 -11.726 5.101 3.704 77 HB2 ASP 10 2HB ASP 10 -11.804 2.909 4.717 78 HB3 ASP 10 3HB ASP 10 -10.195 3.086 5.395 79 H GLN 11 H GLN 11 -11.718 6.865 5.017 80 HA GLN 11 HA GLN 11 -9.524 8.584 4.904 81 HB2 GLN 11 2HB GLN 11 -11.876 9.352 4.944 82 HB3 GLN 11 3HB GLN 11 -12.034 8.836 6.618 83 HG2 GLN 11 2HG GLN 11 -11.735 11.266 6.456 84 HG3 GLN 11 3HG GLN 11 -10.382 10.523 7.310 85 HE21 GLN 11 1HE2 GLN 11 -8.332 10.501 6.295 86 HE22 GLN 11 2HE2 GLN 11 -7.961 11.534 4.964 87 H GLU 12 H GLU 12 -10.839 6.802 7.737 88 HA GLU 12 HA GLU 12 -9.235 7.990 9.724 89 HB2 GLU 12 2HB GLU 12 -10.410 5.180 9.632 90 HB3 GLU 12 3HB GLU 12 -9.692 5.905 11.065 91 HG2 GLU 12 2HG GLU 12 -11.439 7.653 11.063 92 HG3 GLU 12 3HG GLU 12 -12.153 6.933 9.620 93 H ILE 13 H ILE 13 -8.754 4.961 7.910 94 HA ILE 13 HA ILE 13 -6.250 4.170 8.611 95 HB ILE 13 HB ILE 13 -7.148 4.353 5.705 96 HG12 ILE 13 2HG1 ILE 13 -8.927 3.264 7.099 97 HG13 ILE 13 3HG1 ILE 13 -8.244 2.205 5.882 98 HG21 ILE 13 1HG2 ILE 13 -5.739 2.415 5.331 99 HG22 ILE 13 2HG2 ILE 13 -5.300 2.358 7.037 100 HG23 ILE 13 3HG2 ILE 13 -4.791 3.721 6.040 101 HD11 ILE 13 1HD1 ILE 13 -8.669 1.005 7.911 102 HD12 ILE 13 2HD1 ILE 13 -7.679 2.124 8.839 103 HD13 ILE 13 3HD1 ILE 13 -6.931 1.076 7.631 104 H ILE 14 H ILE 14 -6.956 6.626 6.065 105 HA ILE 14 HA ILE 14 -4.379 7.324 5.267 106 HB ILE 14 HB ILE 14 -6.905 9.044 5.359 107 HG12 ILE 14 2HG1 ILE 14 -5.580 7.577 3.035 108 HG13 ILE 14 3HG1 ILE 14 -7.031 7.054 3.879 109 HG21 ILE 14 1HG2 ILE 14 -5.840 10.606 3.764 110 HG22 ILE 14 2HG2 ILE 14 -4.322 9.723 3.910 111 HG23 ILE 14 3HG2 ILE 14 -4.980 10.574 5.306 112 HD11 ILE 14 1HD1 ILE 14 -6.757 9.544 2.197 113 HD12 ILE 14 2HD1 ILE 14 -8.213 9.039 3.059 114 HD13 ILE 14 3HD1 ILE 14 -7.577 8.047 1.746 115 H GLU 15 H GLU 15 -6.363 8.726 7.859 116 HA GLU 15 HA GLU 15 -4.616 10.873 8.515 117 HB2 GLU 15 2HB GLU 15 -6.869 9.603 10.130 118 HB3 GLU 15 3HB GLU 15 -6.113 11.153 10.491 119 HG2 GLU 15 2HG GLU 15 -6.921 12.074 8.359 120 HG3 GLU 15 3HG GLU 15 -7.622 10.516 7.937 121 H GLU 16 H GLU 16 -4.992 7.600 9.807 122 HA GLU 16 HA GLU 16 -3.334 7.885 12.101 123 HB2 GLU 16 2HB GLU 16 -4.113 5.425 10.489 124 HB3 GLU 16 3HB GLU 16 -3.298 5.368 12.043 125 HG2 GLU 16 2HG GLU 16 -6.035 6.542 11.554 126 HG3 GLU 16 3HG GLU 16 -5.715 4.943 12.198 127 H VAL 17 H VAL 17 -2.717 6.589 8.845 128 HA VAL 17 HA VAL 17 0.026 5.961 9.279 129 HB VAL 17 HB VAL 17 -1.642 6.275 6.741 130 HG11 VAL 17 1HG1 VAL 17 0.172 5.062 5.541 131 HG12 VAL 17 2HG1 VAL 17 1.203 5.236 6.964 132 HG13 VAL 17 3HG1 VAL 17 0.663 6.668 6.087 133 HG21 VAL 17 1HG2 VAL 17 -2.330 4.419 8.208 134 HG22 VAL 17 2HG2 VAL 17 -0.682 3.784 8.212 135 HG23 VAL 17 3HG2 VAL 17 -1.618 3.802 6.717 136 H SER 18 H SER 18 -1.662 8.768 7.909 137 HA SER 18 HA SER 18 0.526 10.287 7.055 138 HB2 SER 18 2HB SER 18 -1.829 10.822 6.494 139 HB3 SER 18 3HB SER 18 -2.143 11.252 8.174 140 HG SER 18 HG SER 18 -1.613 12.984 6.552 141 H LYS 19 H LYS 19 -1.151 10.210 10.204 142 HA LYS 19 HA LYS 19 0.416 12.192 11.498 143 HB2 LYS 19 2HB LYS 19 -1.787 11.687 12.347 144 HB3 LYS 19 3HB LYS 19 -1.395 9.989 12.565 145 HG2 LYS 19 2HG LYS 19 -1.559 11.286 14.696 146 HG3 LYS 19 3HG LYS 19 -0.018 10.464 14.478 147 HD2 LYS 19 2HD LYS 19 0.268 12.708 15.441 148 HD3 LYS 19 3HD LYS 19 1.061 12.568 13.876 149 HE2 LYS 19 2HE LYS 19 -0.839 13.787 12.839 150 HE3 LYS 19 3HE LYS 19 -1.583 13.955 14.433 151 HZ1 LYS 19 1HZ LYS 19 1.052 15.061 13.586 152 HZ2 LYS 19 2HZ LYS 19 0.426 15.152 15.157 153 HZ3 LYS 19 3HZ LYS 19 -0.366 15.940 13.891 154 H LYS 20 H LYS 20 0.564 8.618 11.585 155 HA LYS 20 HA LYS 20 2.748 8.281 13.276 156 HB2 LYS 20 2HB LYS 20 1.449 6.354 12.677 157 HB3 LYS 20 3HB LYS 20 1.693 6.620 10.960 158 HG2 LYS 20 2HG LYS 20 2.922 4.644 11.877 159 HG3 LYS 20 3HG LYS 20 3.956 5.816 11.065 160 HD2 LYS 20 2HD LYS 20 5.040 4.971 13.078 161 HD3 LYS 20 3HD LYS 20 4.692 6.687 13.258 162 HE2 LYS 20 2HE LYS 20 2.714 6.107 14.647 163 HE3 LYS 20 3HE LYS 20 3.124 4.395 14.486 164 HZ1 LYS 20 1HZ LYS 20 4.790 6.490 15.782 165 HZ2 LYS 20 2HZ LYS 20 5.274 4.892 15.545 166 HZ3 LYS 20 3HZ LYS 20 3.969 5.231 16.560 167 H ALA 21 H ALA 21 2.739 8.538 9.712 168 HA ALA 21 HA ALA 21 5.497 8.371 9.276 169 HB1 ALA 21 1HB ALA 21 5.014 9.349 7.080 170 HB2 ALA 21 2HB ALA 21 3.407 9.830 7.639 171 HB3 ALA 21 3HB ALA 21 3.829 8.120 7.515 172 H GLU 22 H GLU 22 3.435 11.176 9.945 173 HA GLU 22 HA GLU 22 5.267 13.238 9.297 174 HB2 GLU 22 2HB GLU 22 2.834 13.584 9.422 175 HB3 GLU 22 3HB GLU 22 2.834 13.226 11.147 176 HG2 GLU 22 2HG GLU 22 4.126 15.257 11.593 177 HG3 GLU 22 3HG GLU 22 4.254 15.585 9.869 178 H GLU 23 H GLU 23 4.341 11.771 12.412 179 HA GLU 23 HA GLU 23 6.078 13.350 13.996 180 HB2 GLU 23 2HB GLU 23 4.905 10.630 14.724 181 HB3 GLU 23 3HB GLU 23 5.589 11.803 15.840 182 HG2 GLU 23 2HG GLU 23 2.976 11.942 14.346 183 HG3 GLU 23 3HG GLU 23 3.265 12.039 16.076 184 H GLU 24 H GLU 24 6.537 10.216 12.397 185 HA GLU 24 HA GLU 24 9.125 9.712 13.622 186 HB2 GLU 24 2HB GLU 24 7.905 8.405 11.154 187 HB3 GLU 24 3HB GLU 24 9.274 7.808 12.078 188 HG2 GLU 24 2HG GLU 24 6.420 7.990 13.052 189 HG3 GLU 24 3HG GLU 24 7.233 6.530 12.514 190 H GLY 25 H GLY 25 7.961 11.497 10.883 191 HA2 GLY 25 2HA GLY 25 9.204 13.066 9.658 192 HA3 GLY 25 3HA GLY 25 10.691 12.247 10.095 193 H TYR 26 H TYR 26 8.394 9.996 8.978 194 HA TYR 26 HA TYR 26 9.658 9.612 6.423 195 HB2 TYR 26 2HB TYR 26 7.025 8.454 7.452 196 HB3 TYR 26 3HB TYR 26 7.903 7.897 6.031 197 HD1 TYR 26 HD1 TYR 26 10.546 7.334 6.662 198 HD2 TYR 26 HD2 TYR 26 7.202 7.042 9.311 199 HE1 TYR 26 HE1 TYR 26 11.762 5.688 8.028 200 HE2 TYR 26 HE2 TYR 26 8.425 5.399 10.673 201 HH TYR 26 HH TYR 26 11.776 4.798 10.263 202 H ASP 27 H ASP 27 9.084 10.484 4.492 203 HA ASP 27 HA ASP 27 6.748 12.248 4.290 204 HB2 ASP 27 2HB ASP 27 8.943 11.673 2.253 205 HB3 ASP 27 3HB ASP 27 7.678 12.886 2.084 206 H ILE 28 H ILE 28 4.895 11.121 3.983 207 HA ILE 28 HA ILE 28 4.800 9.096 1.811 208 HB ILE 28 HB ILE 28 2.983 9.145 4.269 209 HG12 ILE 28 2HG1 ILE 28 5.425 7.412 3.670 210 HG13 ILE 28 3HG1 ILE 28 5.188 8.475 5.047 211 HG21 ILE 28 1HG2 ILE 28 2.209 6.959 3.449 212 HG22 ILE 28 2HG2 ILE 28 3.283 7.085 2.056 213 HG23 ILE 28 3HG2 ILE 28 1.939 8.214 2.239 214 HD11 ILE 28 1HD1 ILE 28 3.776 5.869 4.506 215 HD12 ILE 28 2HD1 ILE 28 3.368 6.967 5.829 216 HD13 ILE 28 3HD1 ILE 28 4.962 6.218 5.761 217 H GLN 29 H GLN 29 3.696 9.851 0.091 218 HA GLN 29 HA GLN 29 1.726 11.986 0.316 219 HB2 GLN 29 2HB GLN 29 3.317 11.761 -1.645 220 HB3 GLN 29 3HB GLN 29 2.444 10.313 -2.140 221 HG2 GLN 29 2HG GLN 29 1.690 12.204 -3.458 222 HG3 GLN 29 3HG GLN 29 0.377 11.682 -2.401 223 HE21 GLN 29 1HE2 GLN 29 -0.668 13.677 -2.430 224 HE22 GLN 29 2HE2 GLN 29 -0.032 15.089 -1.666 225 H THR 30 H THR 30 -0.264 11.469 1.023 226 HA THR 30 HA THR 30 -1.286 8.719 0.732 227 HB THR 30 HB THR 30 -2.994 9.471 2.460 228 HG1 THR 30 HG1 THR 30 -1.358 11.803 2.475 229 HG21 THR 30 1HG2 THR 30 -0.990 8.209 3.173 230 HG22 THR 30 2HG2 THR 30 -1.468 9.391 4.392 231 HG23 THR 30 3HG2 THR 30 -0.090 9.721 3.341 232 H SER 31 H SER 31 -3.198 8.279 -0.308 233 HA SER 31 HA SER 31 -4.822 10.361 -1.549 234 HB2 SER 31 2HB SER 31 -2.938 10.081 -3.165 235 HB3 SER 31 3HB SER 31 -3.235 8.345 -3.225 236 HG SER 31 HG SER 31 -4.558 8.802 -4.794 237 H ASN 32 H ASN 32 -6.688 9.422 -2.657 238 HA ASN 32 HA ASN 32 -7.437 6.691 -1.778 239 HB2 ASN 32 2HB ASN 32 -8.729 8.456 -0.590 240 HB3 ASN 32 3HB ASN 32 -9.254 9.122 -2.129 241 HD21 ASN 32 1HD2 ASN 32 -9.502 6.345 0.011 242 HD22 ASN 32 2HD2 ASN 32 -10.993 5.750 -0.631 243 H ASP 33 H ASP 33 -7.360 9.101 -4.338 244 HA ASP 33 HA ASP 33 -8.764 7.568 -6.327 245 HB2 ASP 33 2HB ASP 33 -8.661 10.020 -6.504 246 HB3 ASP 33 3HB ASP 33 -6.907 9.973 -6.622 247 H LYS 34 H LYS 34 -7.950 5.655 -6.966 248 HA LYS 34 HA LYS 34 -5.231 4.887 -6.921 249 HB2 LYS 34 2HB LYS 34 -5.940 2.797 -7.808 250 HB3 LYS 34 3HB LYS 34 -7.295 3.376 -6.850 251 HG2 LYS 34 2HG LYS 34 -8.220 4.305 -9.105 252 HG3 LYS 34 3HG LYS 34 -7.038 3.235 -9.852 253 HD2 LYS 34 2HD LYS 34 -9.168 2.103 -9.787 254 HD3 LYS 34 3HD LYS 34 -8.094 1.303 -8.637 255 HE2 LYS 34 2HE LYS 34 -9.172 2.514 -6.779 256 HE3 LYS 34 3HE LYS 34 -10.215 3.366 -7.921 257 HZ1 LYS 34 1HZ LYS 34 -11.241 1.286 -8.520 258 HZ2 LYS 34 2HZ LYS 34 -11.312 1.479 -6.847 259 HZ3 LYS 34 3HZ LYS 34 -10.189 0.419 -7.522 260 H LYS 35 H LYS 35 -7.127 6.477 -9.425 261 HA LYS 35 HA LYS 35 -5.763 5.596 -11.745 262 HB2 LYS 35 2HB LYS 35 -7.260 8.213 -11.296 263 HB3 LYS 35 3HB LYS 35 -6.774 7.586 -12.870 264 HG2 LYS 35 2HG LYS 35 -8.235 5.594 -12.489 265 HG3 LYS 35 3HG LYS 35 -8.776 6.317 -10.972 266 HD2 LYS 35 2HD LYS 35 -9.153 7.514 -13.749 267 HD3 LYS 35 3HD LYS 35 -10.405 6.725 -12.792 268 HE2 LYS 35 2HE LYS 35 -10.217 8.500 -11.081 269 HE3 LYS 35 3HE LYS 35 -8.952 9.285 -12.034 270 HZ1 LYS 35 1HZ LYS 35 -10.563 9.607 -13.822 271 HZ2 LYS 35 2HZ LYS 35 -11.103 10.331 -12.394 272 HZ3 LYS 35 3HZ LYS 35 -11.767 8.861 -12.901 273 H GLU 36 H GLU 36 -5.302 8.427 -9.661 274 HA GLU 36 HA GLU 36 -3.207 9.730 -10.991 275 HB2 GLU 36 2HB GLU 36 -4.477 10.695 -9.081 276 HB3 GLU 36 3HB GLU 36 -3.785 9.499 -7.997 277 HG2 GLU 36 2HG GLU 36 -2.713 11.664 -7.681 278 HG3 GLU 36 3HG GLU 36 -1.562 10.483 -8.294 279 H ILE 37 H ILE 37 -3.189 7.243 -8.473 280 HA ILE 37 HA ILE 37 -0.400 7.213 -8.005 281 HB ILE 37 HB ILE 37 -2.547 5.156 -7.326 282 HG12 ILE 37 2HG1 ILE 37 -3.172 7.293 -6.382 283 HG13 ILE 37 3HG1 ILE 37 -2.536 6.321 -5.066 284 HG21 ILE 37 1HG2 ILE 37 -0.326 4.163 -7.104 285 HG22 ILE 37 2HG2 ILE 37 -1.057 4.416 -5.520 286 HG23 ILE 37 3HG2 ILE 37 0.202 5.513 -6.092 287 HD11 ILE 37 1HD1 ILE 37 -1.762 8.568 -4.832 288 HD12 ILE 37 2HD1 ILE 37 -1.147 8.601 -6.482 289 HD13 ILE 37 3HD1 ILE 37 -0.381 7.567 -5.273 290 H ILE 38 H ILE 38 -2.504 5.153 -9.980 291 HA ILE 38 HA ILE 38 -0.688 3.200 -10.861 292 HB ILE 38 HB ILE 38 -3.197 4.383 -12.149 293 HG12 ILE 38 2HG1 ILE 38 -2.755 1.687 -10.781 294 HG13 ILE 38 3HG1 ILE 38 -3.475 3.095 -10.015 295 HG21 ILE 38 1HG2 ILE 38 -1.820 3.495 -13.984 296 HG22 ILE 38 2HG2 ILE 38 -3.255 2.500 -13.738 297 HG23 ILE 38 3HG2 ILE 38 -1.687 1.945 -13.151 298 HD11 ILE 38 1HD1 ILE 38 -5.175 1.528 -10.651 299 HD12 ILE 38 2HD1 ILE 38 -4.627 1.538 -12.326 300 HD13 ILE 38 3HD1 ILE 38 -5.337 2.993 -11.618 301 H ASP 39 H ASP 39 -1.482 6.436 -12.092 302 HA ASP 39 HA ASP 39 0.260 6.271 -14.366 303 HB2 ASP 39 2HB ASP 39 -1.809 7.710 -14.314 304 HB3 ASP 39 3HB ASP 39 -0.987 8.788 -13.194 305 H ARG 40 H ARG 40 0.654 7.348 -11.024 306 HA ARG 40 HA ARG 40 3.150 8.726 -11.453 307 HB2 ARG 40 2HB ARG 40 2.202 7.465 -8.838 308 HB3 ARG 40 3HB ARG 40 3.442 8.702 -9.028 309 HG2 ARG 40 2HG ARG 40 1.596 10.211 -9.963 310 HG3 ARG 40 3HG ARG 40 0.463 8.984 -9.411 311 HD2 ARG 40 2HD ARG 40 0.501 10.578 -7.674 312 HD3 ARG 40 3HD ARG 40 1.513 9.259 -7.088 313 HE ARG 40 HE ARG 40 3.410 10.611 -7.324 314 HH11 ARG 40 1HH1 ARG 40 0.546 12.324 -8.453 315 HH12 ARG 40 2HH1 ARG 40 1.331 13.871 -8.456 316 HH21 ARG 40 1HH2 ARG 40 4.427 12.653 -7.351 317 HH22 ARG 40 2HH2 ARG 40 3.526 14.055 -7.835 318 H LEU 41 H LEU 41 2.201 5.415 -10.719 319 HA LEU 41 HA LEU 41 4.819 4.311 -10.468 320 HB2 LEU 41 2HB LEU 41 2.145 3.070 -11.216 321 HB3 LEU 41 3HB LEU 41 3.604 2.127 -10.971 322 HG LEU 41 HG LEU 41 2.438 3.895 -8.783 323 HD11 LEU 41 1HD1 LEU 41 1.396 1.907 -7.798 324 HD12 LEU 41 2HD1 LEU 41 1.896 0.934 -9.185 325 HD13 LEU 41 3HD1 LEU 41 0.730 2.242 -9.397 326 HD21 LEU 41 1HD2 LEU 41 3.798 2.502 -7.283 327 HD22 LEU 41 2HD2 LEU 41 4.799 3.290 -8.500 328 HD23 LEU 41 3HD2 LEU 41 4.399 1.578 -8.665 329 H LYS 42 H LYS 42 2.677 4.990 -13.229 330 HA LYS 42 HA LYS 42 4.317 3.947 -15.306 331 HB2 LYS 42 2HB LYS 42 2.280 6.209 -15.346 332 HB3 LYS 42 3HB LYS 42 3.080 5.613 -16.796 333 HG2 LYS 42 2HG LYS 42 2.059 3.437 -16.547 334 HG3 LYS 42 3HG LYS 42 1.413 3.869 -14.967 335 HD2 LYS 42 2HD LYS 42 -0.407 3.941 -16.529 336 HD3 LYS 42 3HD LYS 42 -0.031 5.604 -16.097 337 HE2 LYS 42 2HE LYS 42 0.929 4.263 -18.649 338 HE3 LYS 42 3HE LYS 42 -0.551 5.210 -18.535 339 HZ1 LYS 42 1HZ LYS 42 2.225 6.182 -18.156 340 HZ2 LYS 42 2HZ LYS 42 0.853 7.109 -17.805 341 HZ3 LYS 42 3HZ LYS 42 1.148 6.594 -19.391 342 H ARG 43 H ARG 43 4.363 7.042 -13.582 343 HA ARG 43 HA ARG 43 6.424 8.272 -15.187 344 HB2 ARG 43 2HB ARG 43 5.499 9.009 -12.364 345 HB3 ARG 43 3HB ARG 43 6.467 10.022 -13.432 346 HG2 ARG 43 2HG ARG 43 4.624 10.323 -14.955 347 HG3 ARG 43 3HG ARG 43 3.663 9.114 -14.113 348 HD2 ARG 43 2HD ARG 43 3.937 10.727 -12.048 349 HD3 ARG 43 3HD ARG 43 4.319 11.933 -13.282 350 HE ARG 43 HE ARG 43 2.016 10.913 -14.224 351 HH11 ARG 43 1HH1 ARG 43 2.847 12.057 -10.990 352 HH12 ARG 43 2HH1 ARG 43 1.215 12.527 -10.615 353 HH21 ARG 43 1HH2 ARG 43 -0.120 11.466 -13.699 354 HH22 ARG 43 2HH2 ARG 43 -0.468 12.190 -12.152 355 H ARG 44 H ARG 44 6.522 5.732 -13.012 356 HA ARG 44 HA ARG 44 8.066 4.630 -11.775 357 HB2 ARG 44 2HB ARG 44 10.101 6.406 -13.195 358 HB3 ARG 44 3HB ARG 44 10.467 4.921 -12.330 359 HG2 ARG 44 2HG ARG 44 8.621 4.949 -14.727 360 HG3 ARG 44 3HG ARG 44 10.368 4.802 -14.895 361 HD2 ARG 44 2HD ARG 44 8.582 2.912 -13.346 362 HD3 ARG 44 3HD ARG 44 9.225 2.620 -14.965 363 HE ARG 44 HE ARG 44 10.938 2.953 -12.568 364 HH11 ARG 44 1HH1 ARG 44 10.171 1.232 -15.534 365 HH12 ARG 44 2HH1 ARG 44 11.539 0.177 -15.416 366 HH21 ARG 44 1HH2 ARG 44 12.718 1.576 -12.421 367 HH22 ARG 44 2HH2 ARG 44 12.989 0.377 -13.642 368 H ASN 45 H ASN 45 6.879 7.207 -10.938 369 HA ASN 45 HA ASN 45 8.718 8.948 -9.677 370 HB2 ASN 45 2HB ASN 45 6.432 9.521 -10.632 371 HB3 ASN 45 3HB ASN 45 5.692 8.708 -9.259 372 HD21 ASN 45 1HD2 ASN 45 8.480 10.918 -9.485 373 HD22 ASN 45 2HD2 ASN 45 7.801 12.140 -8.486 374 H ILE 46 H ILE 46 7.062 6.111 -8.633 375 HA ILE 46 HA ILE 46 7.257 6.788 -5.764 376 HB ILE 46 HB ILE 46 5.647 4.554 -7.086 377 HG12 ILE 46 2HG1 ILE 46 4.720 7.312 -6.142 378 HG13 ILE 46 3HG1 ILE 46 4.796 6.763 -7.811 379 HG21 ILE 46 1HG2 ILE 46 5.536 5.665 -4.256 380 HG22 ILE 46 2HG2 ILE 46 6.210 4.103 -4.728 381 HG23 ILE 46 3HG2 ILE 46 4.484 4.410 -4.915 382 HD11 ILE 46 1HD1 ILE 46 2.528 6.760 -6.993 383 HD12 ILE 46 2HD1 ILE 46 2.968 5.685 -5.669 384 HD13 ILE 46 3HD1 ILE 46 3.046 5.111 -7.338 385 H ASP 47 H ASP 47 8.795 5.826 -4.579 386 HA ASP 47 HA ASP 47 10.554 3.780 -5.698 387 HB2 ASP 47 2HB ASP 47 11.632 5.609 -4.562 388 HB3 ASP 47 3HB ASP 47 10.590 5.461 -3.159 389 H MET 48 H MET 48 8.202 4.166 -3.147 390 HA MET 48 HA MET 48 7.784 1.315 -2.915 391 HB2 MET 48 2HB MET 48 8.046 1.299 -0.436 392 HB3 MET 48 3HB MET 48 9.559 1.601 -1.270 393 HG2 MET 48 2HG MET 48 9.271 4.048 -0.775 394 HG3 MET 48 3HG MET 48 7.863 3.632 0.199 395 HE1 MET 48 1HE MET 48 9.607 1.356 2.980 396 HE2 MET 48 2HE MET 48 9.048 0.749 1.424 397 HE3 MET 48 3HE MET 48 8.059 1.894 2.330 398 H ILE 49 H ILE 49 5.707 0.861 -2.189 399 HA ILE 49 HA ILE 49 3.872 3.068 -1.648 400 HB ILE 49 HB ILE 49 3.846 2.905 -4.076 401 HG12 ILE 49 2HG1 ILE 49 1.350 1.600 -2.901 402 HG13 ILE 49 3HG1 ILE 49 1.662 3.328 -3.008 403 HG21 ILE 49 1HG2 ILE 49 4.762 0.642 -4.356 404 HG22 ILE 49 2HG2 ILE 49 3.299 0.854 -5.317 405 HG23 ILE 49 3HG2 ILE 49 3.236 -0.056 -3.806 406 HD11 ILE 49 1HD1 ILE 49 0.110 2.619 -4.709 407 HD12 ILE 49 2HD1 ILE 49 1.270 1.449 -5.332 408 HD13 ILE 49 3HD1 ILE 49 1.607 3.179 -5.450 409 H ILE 50 H ILE 50 2.143 2.464 -0.421 410 HA ILE 50 HA ILE 50 1.755 -0.400 0.230 411 HB ILE 50 HB ILE 50 1.563 1.955 2.173 412 HG12 ILE 50 2HG1 ILE 50 3.622 -0.304 2.060 413 HG13 ILE 50 3HG1 ILE 50 3.923 1.365 1.606 414 HG21 ILE 50 1HG2 ILE 50 1.156 -1.015 2.668 415 HG22 ILE 50 2HG2 ILE 50 -0.098 0.227 2.689 416 HG23 ILE 50 3HG2 ILE 50 1.172 0.235 3.912 417 HD11 ILE 50 1HD1 ILE 50 4.854 0.894 3.762 418 HD12 ILE 50 2HD1 ILE 50 3.291 0.353 4.372 419 HD13 ILE 50 3HD1 ILE 50 3.532 2.047 3.932 420 H VAL 51 H VAL 51 -0.215 -1.005 -0.430 421 HA VAL 51 HA VAL 51 -2.349 1.008 -0.822 422 HB VAL 51 HB VAL 51 -2.121 -1.757 -2.117 423 HG11 VAL 51 1HG1 VAL 51 -4.433 -0.912 -2.015 424 HG12 VAL 51 2HG1 VAL 51 -3.848 -0.927 -3.679 425 HG13 VAL 51 3HG1 VAL 51 -3.935 0.596 -2.790 426 HG21 VAL 51 1HG2 VAL 51 -0.256 -0.334 -2.848 427 HG22 VAL 51 2HG2 VAL 51 -1.390 0.939 -3.310 428 HG23 VAL 51 3HG2 VAL 51 -1.402 -0.607 -4.160 429 H LYS 52 H LYS 52 -3.591 0.988 0.968 430 HA LYS 52 HA LYS 52 -4.538 -1.543 2.129 431 HB2 LYS 52 2HB LYS 52 -3.877 0.076 3.792 432 HB3 LYS 52 3HB LYS 52 -4.766 1.370 2.997 433 HG2 LYS 52 2HG LYS 52 -5.866 0.638 5.065 434 HG3 LYS 52 3HG LYS 52 -6.891 0.372 3.658 435 HD2 LYS 52 2HD LYS 52 -6.181 -2.049 3.698 436 HD3 LYS 52 3HD LYS 52 -5.318 -1.722 5.206 437 HE2 LYS 52 2HE LYS 52 -7.558 -2.702 5.597 438 HE3 LYS 52 3HE LYS 52 -7.424 -1.089 6.298 439 HZ1 LYS 52 1HZ LYS 52 -8.683 -1.699 3.678 440 HZ2 LYS 52 2HZ LYS 52 -8.640 -0.191 4.438 441 HZ3 LYS 52 3HZ LYS 52 -9.529 -1.455 5.117 442 H THR 53 H THR 53 -6.110 -2.404 0.906 443 HA THR 53 HA THR 53 -8.681 -1.210 0.894 444 HB THR 53 HB THR 53 -7.865 0.000 -1.113 445 HG1 THR 53 HG1 THR 53 -9.732 -0.311 -2.081 446 HG21 THR 53 1HG2 THR 53 -6.163 -1.630 -1.906 447 HG22 THR 53 2HG2 THR 53 -7.281 -1.159 -3.185 448 HG23 THR 53 3HG2 THR 53 -7.458 -2.727 -2.398 449 H GLU 54 H GLU 54 -10.312 -2.683 0.158 450 HA GLU 54 HA GLU 54 -9.494 -5.531 0.227 451 HB2 GLU 54 2HB GLU 54 -11.170 -4.374 1.905 452 HB3 GLU 54 3HB GLU 54 -12.325 -4.477 0.597 453 HG2 GLU 54 2HG GLU 54 -10.926 -6.985 1.526 454 HG3 GLU 54 3HG GLU 54 -12.228 -6.318 2.501 455 H ASP 55 H ASP 55 -10.288 -3.122 -1.945 456 HA ASP 55 HA ASP 55 -11.940 -4.614 -3.800 457 HB2 ASP 55 2HB ASP 55 -12.130 -2.134 -3.577 458 HB3 ASP 55 3HB ASP 55 -10.489 -1.955 -4.187 459 H LYS 56 H LYS 56 -11.096 -6.187 -4.866 460 HA LYS 56 HA LYS 56 -8.415 -6.880 -5.132 461 HB2 LYS 56 2HB LYS 56 -10.751 -7.934 -6.793 462 HB3 LYS 56 3HB LYS 56 -9.163 -8.680 -6.688 463 HG2 LYS 56 2HG LYS 56 -10.426 -9.993 -5.236 464 HG3 LYS 56 3HG LYS 56 -9.648 -8.863 -4.128 465 HD2 LYS 56 2HD LYS 56 -11.751 -7.494 -4.124 466 HD3 LYS 56 3HD LYS 56 -12.504 -8.693 -5.172 467 HE2 LYS 56 2HE LYS 56 -11.456 -9.211 -2.375 468 HE3 LYS 56 3HE LYS 56 -13.144 -8.944 -2.799 469 HZ1 LYS 56 1HZ LYS 56 -11.502 -11.167 -3.874 470 HZ2 LYS 56 2HZ LYS 56 -13.167 -10.950 -4.055 471 HZ3 LYS 56 3HZ LYS 56 -12.521 -11.300 -2.534 472 H GLU 57 H GLU 57 -10.468 -5.067 -7.348 473 HA GLU 57 HA GLU 57 -8.787 -5.222 -9.651 474 HB2 GLU 57 2HB GLU 57 -10.973 -3.235 -8.893 475 HB3 GLU 57 3HB GLU 57 -10.207 -3.306 -10.480 476 HG2 GLU 57 2HG GLU 57 -11.086 -5.559 -10.851 477 HG3 GLU 57 3HG GLU 57 -11.750 -5.596 -9.221 478 H SER 58 H SER 58 -9.093 -2.840 -6.987 479 HA SER 58 HA SER 58 -7.253 -0.928 -7.973 480 HB2 SER 58 2HB SER 58 -7.889 -1.582 -5.057 481 HB3 SER 58 3HB SER 58 -7.143 -0.093 -5.653 482 HG SER 58 HG SER 58 -9.785 -0.933 -5.736 483 H ILE 59 H ILE 59 -6.889 -3.668 -5.757 484 HA ILE 59 HA ILE 59 -4.157 -3.497 -5.177 485 HB ILE 59 HB ILE 59 -5.971 -5.955 -5.332 486 HG12 ILE 59 2HG1 ILE 59 -5.191 -4.278 -2.896 487 HG13 ILE 59 3HG1 ILE 59 -6.712 -4.118 -3.762 488 HG21 ILE 59 1HG2 ILE 59 -3.625 -6.672 -5.363 489 HG22 ILE 59 2HG2 ILE 59 -4.376 -7.080 -3.822 490 HG23 ILE 59 3HG2 ILE 59 -3.287 -5.696 -3.932 491 HD11 ILE 59 1HD1 ILE 59 -7.045 -5.382 -1.762 492 HD12 ILE 59 2HD1 ILE 59 -5.776 -6.522 -2.208 493 HD13 ILE 59 3HD1 ILE 59 -7.268 -6.444 -3.151 494 H SER 60 H SER 60 -5.845 -5.312 -7.738 495 HA SER 60 HA SER 60 -3.717 -6.712 -8.848 496 HB2 SER 60 2HB SER 60 -6.119 -7.181 -9.299 497 HB3 SER 60 3HB SER 60 -6.226 -5.708 -10.267 498 HG SER 60 HG SER 60 -4.788 -8.091 -10.785 499 H GLU 61 H GLU 61 -5.133 -3.612 -9.975 500 HA GLU 61 HA GLU 61 -3.490 -3.268 -12.219 501 HB2 GLU 61 2HB GLU 61 -4.966 -1.143 -10.602 502 HB3 GLU 61 3HB GLU 61 -4.278 -0.890 -12.201 503 HG2 GLU 61 2HG GLU 61 -6.579 -2.715 -11.475 504 HG3 GLU 61 3HG GLU 61 -6.653 -1.232 -12.417 505 H ILE 62 H ILE 62 -3.192 -1.824 -8.935 506 HA ILE 62 HA ILE 62 -0.914 -0.285 -9.446 507 HB ILE 62 HB ILE 62 -2.112 -1.340 -6.878 508 HG12 ILE 62 2HG1 ILE 62 -2.140 1.151 -6.307 509 HG13 ILE 62 3HG1 ILE 62 -1.517 1.478 -7.916 510 HG21 ILE 62 1HG2 ILE 62 0.236 -1.606 -6.383 511 HG22 ILE 62 2HG2 ILE 62 -0.322 -0.148 -5.569 512 HG23 ILE 62 3HG2 ILE 62 0.612 -0.017 -7.053 513 HD11 ILE 62 1HD1 ILE 62 -4.182 0.262 -7.223 514 HD12 ILE 62 2HD1 ILE 62 -3.580 0.511 -8.865 515 HD13 ILE 62 3HD1 ILE 62 -3.877 1.896 -7.812 516 H ILE 63 H ILE 63 -1.129 -3.687 -8.222 517 HA ILE 63 HA ILE 63 1.599 -4.104 -7.713 518 HB ILE 63 HB ILE 63 -0.486 -6.139 -8.621 519 HG12 ILE 63 2HG1 ILE 63 0.646 -5.594 -5.832 520 HG13 ILE 63 3HG1 ILE 63 -0.917 -5.030 -6.410 521 HG21 ILE 63 1HG2 ILE 63 2.295 -6.695 -7.506 522 HG22 ILE 63 2HG2 ILE 63 1.744 -7.032 -9.149 523 HG23 ILE 63 3HG2 ILE 63 1.046 -7.911 -7.791 524 HD11 ILE 63 1HD1 ILE 63 -1.161 -6.983 -5.015 525 HD12 ILE 63 2HD1 ILE 63 -0.097 -7.910 -6.072 526 HD13 ILE 63 3HD1 ILE 63 -1.661 -7.341 -6.666 527 H LYS 64 H LYS 64 -0.264 -4.586 -10.733 528 HA LYS 64 HA LYS 64 1.723 -5.659 -12.394 529 HB2 LYS 64 2HB LYS 64 -0.513 -3.728 -13.160 530 HB3 LYS 64 3HB LYS 64 0.365 -4.759 -14.284 531 HG2 LYS 64 2HG LYS 64 -0.601 -6.752 -13.309 532 HG3 LYS 64 3HG LYS 64 -1.341 -5.816 -12.010 533 HD2 LYS 64 2HD LYS 64 -2.779 -4.657 -13.663 534 HD3 LYS 64 3HD LYS 64 -2.027 -5.580 -14.967 535 HE2 LYS 64 2HE LYS 64 -2.912 -7.670 -14.000 536 HE3 LYS 64 3HE LYS 64 -3.648 -6.747 -12.684 537 HZ1 LYS 64 1HZ LYS 64 -4.993 -5.578 -14.321 538 HZ2 LYS 64 2HZ LYS 64 -5.254 -7.241 -14.397 539 HZ3 LYS 64 3HZ LYS 64 -4.304 -6.479 -15.567 540 H GLN 65 H GLN 65 0.876 -2.280 -11.739 541 HA GLN 65 HA GLN 65 2.778 -1.039 -13.454 542 HB2 GLN 65 2HB GLN 65 1.408 0.066 -10.973 543 HB3 GLN 65 3HB GLN 65 2.181 1.021 -12.228 544 HG2 GLN 65 2HG GLN 65 -0.269 -0.711 -12.598 545 HG3 GLN 65 3HG GLN 65 -0.269 1.042 -12.402 546 HE21 GLN 65 1HE2 GLN 65 0.451 2.324 -14.113 547 HE22 GLN 65 2HE2 GLN 65 0.609 1.714 -15.724 548 H VAL 66 H VAL 66 2.944 -2.124 -10.095 549 HA VAL 66 HA VAL 66 5.426 -0.829 -9.437 550 HB VAL 66 HB VAL 66 3.994 -3.149 -8.052 551 HG11 VAL 66 1HG1 VAL 66 6.287 -1.435 -7.025 552 HG12 VAL 66 2HG1 VAL 66 6.388 -3.135 -7.481 553 HG13 VAL 66 3HG1 VAL 66 5.415 -2.654 -6.101 554 HG21 VAL 66 1HG2 VAL 66 4.022 -0.186 -7.346 555 HG22 VAL 66 2HG2 VAL 66 3.223 -1.465 -6.425 556 HG23 VAL 66 3HG2 VAL 66 2.665 -1.068 -8.048 557 H LEU 67 H LEU 67 4.490 -4.029 -10.669 558 HA LEU 67 HA LEU 67 6.953 -5.371 -10.463 559 HB2 LEU 67 2HB LEU 67 4.786 -5.699 -12.583 560 HB3 LEU 67 3HB LEU 67 6.111 -6.825 -12.336 561 HG LEU 67 HG LEU 67 3.873 -6.266 -10.347 562 HD11 LEU 67 1HD1 LEU 67 4.339 -8.697 -12.096 563 HD12 LEU 67 2HD1 LEU 67 3.061 -7.494 -12.290 564 HD13 LEU 67 3HD1 LEU 67 3.082 -8.528 -10.865 565 HD21 LEU 67 1HD2 LEU 67 6.129 -8.284 -10.160 566 HD22 LEU 67 2HD2 LEU 67 4.764 -8.155 -9.049 567 HD23 LEU 67 3HD2 LEU 67 5.929 -6.840 -9.163 568 H ASP 68 H ASP 68 5.625 -3.191 -12.891 569 HA ASP 68 HA ASP 68 7.709 -3.321 -14.815 570 HB2 ASP 68 2HB ASP 68 5.430 -2.453 -15.315 571 HB3 ASP 68 3HB ASP 68 5.701 -1.083 -14.247 572 H SER 69 H SER 69 7.169 -1.247 -11.959 573 HA SER 69 HA SER 69 9.383 0.526 -12.661 574 HB2 SER 69 2HB SER 69 7.176 1.442 -11.879 575 HB3 SER 69 3HB SER 69 7.471 0.733 -10.305 576 HG SER 69 HG SER 69 9.449 2.028 -10.288 577 H GLY 70 H GLY 70 8.960 -2.289 -10.811 578 HA2 GLY 70 2HA GLY 70 10.389 -3.522 -9.510 579 HA3 GLY 70 3HA GLY 70 11.656 -2.376 -9.906 580 H ALA 71 H ALA 71 8.721 -1.279 -8.359 581 HA ALA 71 HA ALA 71 10.253 -0.166 -6.152 582 HB1 ALA 71 1HB ALA 71 8.550 1.191 -7.303 583 HB2 ALA 71 2HB ALA 71 8.150 1.011 -5.595 584 HB3 ALA 71 3HB ALA 71 7.287 0.062 -6.809 585 H LYS 72 H LYS 72 9.473 -0.355 -3.850 586 HA LYS 72 HA LYS 72 8.799 -3.093 -3.090 587 HB2 LYS 72 2HB LYS 72 9.251 -0.571 -1.421 588 HB3 LYS 72 3HB LYS 72 8.716 -2.083 -0.707 589 HG2 LYS 72 2HG LYS 72 11.062 -1.924 -0.338 590 HG3 LYS 72 3HG LYS 72 10.811 -3.165 -1.560 591 HD2 LYS 72 2HD LYS 72 12.729 -1.818 -2.192 592 HD3 LYS 72 3HD LYS 72 11.415 -1.472 -3.321 593 HE2 LYS 72 2HE LYS 72 10.899 0.606 -2.078 594 HE3 LYS 72 3HE LYS 72 12.192 0.245 -0.932 595 HZ1 LYS 72 1HZ LYS 72 12.932 1.831 -2.561 596 HZ2 LYS 72 2HZ LYS 72 12.524 0.794 -3.827 597 HZ3 LYS 72 3HZ LYS 72 13.779 0.381 -2.772 598 H VAL 73 H VAL 73 6.728 -3.832 -2.875 599 HA VAL 73 HA VAL 73 4.535 -1.865 -2.457 600 HB VAL 73 HB VAL 73 4.371 -2.672 -4.726 601 HG11 VAL 73 1HG1 VAL 73 4.342 -5.506 -3.656 602 HG12 VAL 73 2HG1 VAL 73 5.636 -4.748 -4.588 603 HG13 VAL 73 3HG1 VAL 73 4.066 -5.040 -5.338 604 HG21 VAL 73 1HG2 VAL 73 2.211 -3.984 -3.039 605 HG22 VAL 73 2HG2 VAL 73 2.081 -3.586 -4.755 606 HG23 VAL 73 3HG2 VAL 73 2.245 -2.298 -3.562 607 H LEU 74 H LEU 74 3.283 -2.177 -0.773 608 HA LEU 74 HA LEU 74 3.137 -4.824 0.550 609 HB2 LEU 74 2HB LEU 74 4.247 -3.274 2.039 610 HB3 LEU 74 3HB LEU 74 3.045 -2.029 1.741 611 HG LEU 74 HG LEU 74 1.346 -3.317 2.964 612 HD11 LEU 74 1HD1 LEU 74 2.059 -5.589 2.435 613 HD12 LEU 74 2HD1 LEU 74 1.853 -5.371 4.169 614 HD13 LEU 74 3HD1 LEU 74 3.474 -5.403 3.476 615 HD21 LEU 74 1HD2 LEU 74 2.719 -1.742 4.236 616 HD22 LEU 74 2HD2 LEU 74 3.901 -3.008 4.573 617 HD23 LEU 74 3HD2 LEU 74 2.268 -3.123 5.236 618 H ILE 75 H ILE 75 1.209 -5.723 0.262 619 HA ILE 75 HA ILE 75 -1.176 -4.083 -0.294 620 HB ILE 75 HB ILE 75 -0.727 -7.085 -0.603 621 HG12 ILE 75 2HG1 ILE 75 0.546 -5.844 -2.282 622 HG13 ILE 75 3HG1 ILE 75 -0.821 -6.626 -3.061 623 HG21 ILE 75 1HG2 ILE 75 -2.898 -7.152 -1.784 624 HG22 ILE 75 2HG2 ILE 75 -3.164 -5.452 -1.397 625 HG23 ILE 75 3HG2 ILE 75 -3.088 -6.648 -0.103 626 HD11 ILE 75 1HD1 ILE 75 -0.634 -3.698 -2.333 627 HD12 ILE 75 2HD1 ILE 75 -2.011 -4.477 -3.123 628 HD13 ILE 75 3HD1 ILE 75 -0.449 -4.398 -3.940 629 H LEU 76 H LEU 76 -2.288 -3.565 1.453 630 HA LEU 76 HA LEU 76 -2.595 -5.460 3.696 631 HB2 LEU 76 2HB LEU 76 -2.984 -2.435 3.605 632 HB3 LEU 76 3HB LEU 76 -3.292 -3.440 5.012 633 HG LEU 76 HG LEU 76 -0.565 -3.042 3.712 634 HD11 LEU 76 1HD1 LEU 76 0.041 -1.760 5.701 635 HD12 LEU 76 2HD1 LEU 76 -1.595 -1.934 6.341 636 HD13 LEU 76 3HD1 LEU 76 -1.316 -1.009 4.863 637 HD21 LEU 76 1HD2 LEU 76 -1.302 -4.561 6.232 638 HD22 LEU 76 2HD2 LEU 76 0.338 -4.251 5.653 639 HD23 LEU 76 3HD2 LEU 76 -0.748 -5.261 4.707 640 H SER 77 H SER 77 -4.513 -6.478 3.770 641 HA SER 77 HA SER 77 -6.953 -5.228 2.686 642 HB2 SER 77 2HB SER 77 -6.055 -8.066 1.972 643 HB3 SER 77 3HB SER 77 -7.548 -7.281 1.451 644 HG SER 77 HG SER 77 -5.987 -5.649 0.527 645 H SER 78 H SER 78 -8.784 -5.826 3.801 646 HA SER 78 HA SER 78 -8.519 -6.814 6.449 647 HB2 SER 78 2HB SER 78 -11.039 -6.362 4.794 648 HB3 SER 78 3HB SER 78 -10.977 -6.539 6.551 649 HG SER 78 HG SER 78 -10.710 -4.451 6.543 650 H ASP 79 H ASP 79 -9.313 -8.303 3.403 651 HA ASP 79 HA ASP 79 -10.030 -10.872 4.635 652 HB2 ASP 79 2HB ASP 79 -11.440 -10.109 2.776 653 HB3 ASP 79 3HB ASP 79 -10.037 -9.990 1.726 654 H GLU 80 H GLU 80 -8.518 -12.304 5.031 655 HA GLU 80 HA GLU 80 -5.797 -12.047 4.135 656 HB2 GLU 80 2HB GLU 80 -5.338 -13.968 5.574 657 HB3 GLU 80 3HB GLU 80 -6.357 -12.809 6.416 658 HG2 GLU 80 2HG GLU 80 -8.352 -14.245 5.805 659 HG3 GLU 80 3HG GLU 80 -7.217 -15.450 5.207 660 H ASN 81 H ASN 81 -8.572 -13.597 2.837 661 HA ASN 81 HA ASN 81 -7.137 -15.653 1.373 662 HB2 ASN 81 2HB ASN 81 -10.012 -14.659 1.107 663 HB3 ASN 81 3HB ASN 81 -9.344 -16.039 0.240 664 HD21 ASN 81 1HD2 ASN 81 -10.429 -14.851 3.317 665 HD22 ASN 81 2HD2 ASN 81 -10.430 -16.366 4.147 666 H ILE 82 H ILE 82 -8.247 -12.323 0.807 667 HA ILE 82 HA ILE 82 -7.427 -12.055 -1.897 668 HB ILE 82 HB ILE 82 -7.345 -9.999 0.376 669 HG12 ILE 82 2HG1 ILE 82 -9.245 -10.176 -2.009 670 HG13 ILE 82 3HG1 ILE 82 -9.635 -10.661 -0.362 671 HG21 ILE 82 1HG2 ILE 82 -6.788 -9.485 -2.577 672 HG22 ILE 82 2HG2 ILE 82 -5.609 -9.399 -1.265 673 HG23 ILE 82 3HG2 ILE 82 -6.939 -8.246 -1.329 674 HD11 ILE 82 1HD1 ILE 82 -8.940 -7.871 -1.258 675 HD12 ILE 82 2HD1 ILE 82 -9.304 -8.363 0.398 676 HD13 ILE 82 3HD1 ILE 82 -10.543 -8.480 -0.849 677 H ILE 83 H ILE 83 -5.758 -11.459 1.205 678 HA ILE 83 HA ILE 83 -3.217 -10.818 0.314 679 HB ILE 83 HB ILE 83 -4.110 -12.313 2.810 680 HG12 ILE 83 2HG1 ILE 83 -5.054 -10.058 2.618 681 HG13 ILE 83 3HG1 ILE 83 -3.876 -10.091 3.921 682 HG21 ILE 83 1HG2 ILE 83 -1.988 -11.711 3.879 683 HG22 ILE 83 2HG2 ILE 83 -1.388 -11.082 2.349 684 HG23 ILE 83 3HG2 ILE 83 -1.739 -12.799 2.511 685 HD11 ILE 83 1HD1 ILE 83 -3.463 -8.917 1.163 686 HD12 ILE 83 2HD1 ILE 83 -2.240 -8.980 2.437 687 HD13 ILE 83 3HD1 ILE 83 -3.709 -8.036 2.671 688 H GLU 84 H GLU 84 -4.503 -14.087 0.970 689 HA GLU 84 HA GLU 84 -2.116 -15.516 0.438 690 HB2 GLU 84 2HB GLU 84 -4.047 -16.355 1.813 691 HB3 GLU 84 3HB GLU 84 -4.982 -16.533 0.335 692 HG2 GLU 84 2HG GLU 84 -4.205 -18.700 0.904 693 HG3 GLU 84 3HG GLU 84 -3.235 -18.183 -0.466 694 H SER 85 H SER 85 -4.918 -14.670 -1.652 695 HA SER 85 HA SER 85 -4.062 -16.226 -3.895 696 HB2 SER 85 2HB SER 85 -5.800 -14.957 -5.169 697 HB3 SER 85 3HB SER 85 -6.417 -15.632 -3.666 698 HG SER 85 HG SER 85 -6.379 -13.634 -2.746 699 H ILE 86 H ILE 86 -3.503 -12.898 -2.869 700 HA ILE 86 HA ILE 86 -2.170 -11.978 -5.217 701 HB ILE 86 HB ILE 86 -2.090 -11.004 -2.321 702 HG12 ILE 86 2HG1 ILE 86 -4.297 -10.768 -3.370 703 HG13 ILE 86 3HG1 ILE 86 -3.578 -9.182 -3.145 704 HG21 ILE 86 1HG2 ILE 86 -1.129 -8.877 -3.165 705 HG22 ILE 86 2HG2 ILE 86 -0.924 -9.611 -4.757 706 HG23 ILE 86 3HG2 ILE 86 -0.032 -10.243 -3.374 707 HD11 ILE 86 1HD1 ILE 86 -2.994 -9.134 -5.541 708 HD12 ILE 86 2HD1 ILE 86 -4.723 -9.312 -5.255 709 HD13 ILE 86 3HD1 ILE 86 -3.769 -10.712 -5.743 710 H ARG 87 H ARG 87 -1.148 -13.691 -2.325 711 HA ARG 87 HA ARG 87 1.674 -13.578 -2.737 712 HB2 ARG 87 2HB ARG 87 -0.178 -15.268 -1.042 713 HB3 ARG 87 3HB ARG 87 1.524 -15.697 -1.150 714 HG2 ARG 87 2HG ARG 87 2.234 -13.791 -0.008 715 HG3 ARG 87 3HG ARG 87 0.783 -12.872 -0.420 716 HD2 ARG 87 2HD ARG 87 0.988 -13.600 2.012 717 HD3 ARG 87 3HD ARG 87 -0.526 -13.999 1.206 718 HE ARG 87 HE ARG 87 0.145 -16.282 1.104 719 HH11 ARG 87 1HH1 ARG 87 2.271 -14.299 3.102 720 HH12 ARG 87 2HH1 ARG 87 2.898 -15.661 3.975 721 HH21 ARG 87 1HH2 ARG 87 0.916 -18.029 2.270 722 HH22 ARG 87 2HH2 ARG 87 2.123 -17.793 3.498 723 H LYS 88 H LYS 88 -0.825 -15.986 -3.727 724 HA LYS 88 HA LYS 88 1.116 -17.877 -4.713 725 HB2 LYS 88 2HB LYS 88 -0.724 -19.213 -5.520 726 HB3 LYS 88 3HB LYS 88 -1.165 -18.579 -3.944 727 HG2 LYS 88 2HG LYS 88 -2.544 -16.839 -5.073 728 HG3 LYS 88 3HG LYS 88 -2.158 -17.578 -6.627 729 HD2 LYS 88 2HD LYS 88 -3.239 -19.701 -5.846 730 HD3 LYS 88 3HD LYS 88 -3.680 -18.894 -4.337 731 HE2 LYS 88 2HE LYS 88 -4.986 -17.216 -5.697 732 HE3 LYS 88 3HE LYS 88 -4.641 -18.184 -7.132 733 HZ1 LYS 88 1HZ LYS 88 -5.783 -20.056 -6.068 734 HZ2 LYS 88 2HZ LYS 88 -6.797 -18.719 -6.250 735 HZ3 LYS 88 3HZ LYS 88 -6.147 -19.081 -4.735 736 H GLN 89 H GLN 89 -0.852 -15.320 -6.207 737 HA GLN 89 HA GLN 89 -0.103 -15.887 -8.919 738 HB2 GLN 89 2HB GLN 89 -1.224 -13.350 -7.638 739 HB3 GLN 89 3HB GLN 89 -1.044 -13.588 -9.374 740 HG2 GLN 89 2HG GLN 89 -2.669 -15.379 -9.365 741 HG3 GLN 89 3HG GLN 89 -2.755 -15.355 -7.607 742 HE21 GLN 89 1HE2 GLN 89 -2.824 -12.470 -7.352 743 HE22 GLN 89 2HE2 GLN 89 -4.378 -11.962 -7.897 744 H TYR 90 H TYR 90 1.013 -13.542 -6.485 745 HA TYR 90 HA TYR 90 3.393 -12.896 -8.133 746 HB2 TYR 90 2HB TYR 90 2.077 -11.132 -6.011 747 HB3 TYR 90 3HB TYR 90 3.361 -10.670 -7.128 748 HD1 TYR 90 HD1 TYR 90 2.802 -10.555 -9.636 749 HD2 TYR 90 HD2 TYR 90 -0.240 -10.889 -6.647 750 HE1 TYR 90 HE1 TYR 90 1.121 -9.796 -11.259 751 HE2 TYR 90 HE2 TYR 90 -1.926 -10.129 -8.280 752 HH TYR 90 HH TYR 90 -1.336 -9.976 -11.611 753 HA PRO 91 HA PRO 91 4.969 -15.341 -4.588 754 HB2 PRO 91 2HB PRO 91 7.534 -15.716 -5.561 755 HB3 PRO 91 3HB PRO 91 6.132 -16.669 -6.085 756 HG2 PRO 91 2HG PRO 91 7.387 -14.291 -7.425 757 HG3 PRO 91 3HG PRO 91 6.863 -15.834 -8.141 758 HD2 PRO 91 2HD PRO 91 5.330 -13.628 -8.323 759 HD3 PRO 91 3HD PRO 91 4.601 -15.238 -8.106 760 H LYS 92 H LYS 92 6.491 -12.412 -5.865 761 HA LYS 92 HA LYS 92 8.256 -12.186 -3.501 762 HB2 LYS 92 2HB LYS 92 8.405 -10.935 -6.271 763 HB3 LYS 92 3HB LYS 92 9.533 -10.568 -4.964 764 HG2 LYS 92 2HG LYS 92 10.386 -12.817 -4.935 765 HG3 LYS 92 3HG LYS 92 9.106 -13.393 -5.996 766 HD2 LYS 92 2HD LYS 92 11.254 -11.407 -6.831 767 HD3 LYS 92 3HD LYS 92 11.338 -13.147 -7.114 768 HE2 LYS 92 2HE LYS 92 9.201 -12.977 -8.423 769 HE3 LYS 92 3HE LYS 92 9.282 -11.223 -8.245 770 HZ1 LYS 92 1HZ LYS 92 11.343 -12.914 -9.556 771 HZ2 LYS 92 2HZ LYS 92 11.382 -11.231 -9.431 772 HZ3 LYS 92 3HZ LYS 92 10.189 -11.981 -10.368 773 H VAL 93 H VAL 93 5.266 -11.093 -4.214 774 HA VAL 93 HA VAL 93 5.502 -8.296 -3.482 775 HB VAL 93 HB VAL 93 3.611 -9.243 -4.880 776 HG11 VAL 93 1HG1 VAL 93 3.211 -11.307 -3.580 777 HG12 VAL 93 2HG1 VAL 93 1.729 -10.387 -3.829 778 HG13 VAL 93 3HG1 VAL 93 2.541 -10.346 -2.261 779 HG21 VAL 93 1HG2 VAL 93 3.380 -7.020 -3.855 780 HG22 VAL 93 2HG2 VAL 93 2.721 -7.740 -2.387 781 HG23 VAL 93 3HG2 VAL 93 1.821 -7.844 -3.903 782 H GLU 94 H GLU 94 5.126 -7.355 -1.483 783 HA GLU 94 HA GLU 94 5.116 -9.100 0.863 784 HB2 GLU 94 2HB GLU 94 6.715 -7.241 0.778 785 HB3 GLU 94 3HB GLU 94 5.399 -6.086 0.596 786 HG2 GLU 94 2HG GLU 94 6.225 -6.090 2.870 787 HG3 GLU 94 3HG GLU 94 4.567 -6.677 2.807 788 H THR 95 H THR 95 3.353 -9.301 2.169 789 HA THR 95 HA THR 95 0.936 -7.699 1.717 790 HB THR 95 HB THR 95 -0.462 -9.790 1.567 791 HG1 THR 95 HG1 THR 95 1.864 -10.983 2.095 792 HG21 THR 95 1HG2 THR 95 1.530 -9.584 -0.715 793 HG22 THR 95 2HG2 THR 95 0.055 -8.634 -0.547 794 HG23 THR 95 3HG2 THR 95 -0.046 -10.378 -0.779 795 H ARG 96 H ARG 96 -0.492 -7.793 3.485 796 HA ARG 96 HA ARG 96 -0.212 -9.701 5.627 797 HB2 ARG 96 2HB ARG 96 1.529 -7.994 6.245 798 HB3 ARG 96 3HB ARG 96 0.289 -6.746 6.241 799 HG2 ARG 96 2HG ARG 96 -0.867 -7.934 8.114 800 HG3 ARG 96 3HG ARG 96 0.439 -9.122 8.134 801 HD2 ARG 96 2HD ARG 96 2.050 -7.249 8.603 802 HD3 ARG 96 3HD ARG 96 0.670 -6.153 8.726 803 HE ARG 96 HE ARG 96 0.506 -8.454 10.469 804 HH11 ARG 96 1HH1 ARG 96 1.740 -5.164 10.216 805 HH12 ARG 96 2HH1 ARG 96 1.829 -4.938 11.928 806 HH21 ARG 96 1HH2 ARG 96 0.692 -8.160 12.698 807 HH22 ARG 96 2HH2 ARG 96 1.233 -6.647 13.337 808 H ARG 97 H ARG 97 -2.213 -9.976 6.622 809 HA ARG 97 HA ARG 97 -4.490 -8.556 5.646 810 HB2 ARG 97 2HB ARG 97 -4.557 -10.922 6.574 811 HB3 ARG 97 3HB ARG 97 -4.352 -10.245 8.185 812 HG2 ARG 97 2HG ARG 97 -6.494 -8.876 7.684 813 HG3 ARG 97 3HG ARG 97 -6.723 -9.964 6.315 814 HD2 ARG 97 2HD ARG 97 -8.032 -10.830 8.118 815 HD3 ARG 97 3HD ARG 97 -6.627 -11.895 7.977 816 HE ARG 97 HE ARG 97 -6.330 -9.725 9.866 817 HH11 ARG 97 1HH1 ARG 97 -7.331 -13.087 9.515 818 HH12 ARG 97 2HH1 ARG 97 -7.133 -13.432 11.203 819 HH21 ARG 97 1HH2 ARG 97 -6.138 -10.181 12.064 820 HH22 ARG 97 2HH2 ARG 97 -6.458 -11.782 12.649 821 H ALA 98 H ALA 98 -5.388 -6.692 6.407 822 HA ALA 98 HA ALA 98 -4.757 -5.648 9.074 823 HB1 ALA 98 1HB ALA 98 -2.991 -4.707 7.625 824 HB2 ALA 98 2HB ALA 98 -4.088 -3.450 8.201 825 HB3 ALA 98 3HB ALA 98 -4.220 -4.048 6.545 826 H GLN 99 H GLN 99 -6.736 -5.492 9.830 827 HA GLN 99 HA GLN 99 -9.015 -4.828 8.088 828 HB2 GLN 99 2HB GLN 99 -8.948 -5.854 10.960 829 HB3 GLN 99 3HB GLN 99 -10.411 -5.583 10.017 830 HG2 GLN 99 2HG GLN 99 -9.705 -7.335 8.416 831 HG3 GLN 99 3HG GLN 99 -8.238 -7.604 9.360 832 HE21 GLN 99 1HE2 GLN 99 -8.767 -9.764 9.769 833 HE22 GLN 99 2HE2 GLN 99 -10.038 -10.235 10.832 834 H ASP 100 H ASP 100 -7.675 -3.878 11.251 835 HA ASP 100 HA ASP 100 -9.318 -1.435 11.274 836 HB2 ASP 100 2HB ASP 100 -9.083 -3.122 13.277 837 HB3 ASP 100 3HB ASP 100 -7.527 -2.355 13.564 838 H LYS 101 H LYS 101 -8.366 0.581 11.834 839 HA LYS 101 HA LYS 101 -6.246 1.355 10.171 840 HB2 LYS 101 2HB LYS 101 -6.524 3.599 11.234 841 HB3 LYS 101 3HB LYS 101 -8.038 2.887 10.694 842 HG2 LYS 101 2HG LYS 101 -8.609 2.254 12.995 843 HG3 LYS 101 3HG LYS 101 -7.063 2.889 13.568 844 HD2 LYS 101 2HD LYS 101 -7.713 5.155 12.857 845 HD3 LYS 101 3HD LYS 101 -9.254 4.550 12.251 846 HE2 LYS 101 2HE LYS 101 -8.388 4.277 15.142 847 HE3 LYS 101 3HE LYS 101 -9.305 5.663 14.538 848 HZ1 LYS 101 1HZ LYS 101 -10.195 2.829 14.410 849 HZ2 LYS 101 2HZ LYS 101 -11.083 4.173 13.893 850 HZ3 LYS 101 3HZ LYS 101 -10.726 3.973 15.533 851 H GLU 102 H GLU 102 -6.282 0.513 13.586 852 HA GLU 102 HA GLU 102 -3.656 1.467 14.182 853 HB2 GLU 102 2HB GLU 102 -3.836 -0.073 16.208 854 HB3 GLU 102 3HB GLU 102 -5.067 1.173 16.060 855 HG2 GLU 102 2HG GLU 102 -6.672 -0.486 15.205 856 HG3 GLU 102 3HG GLU 102 -5.444 -1.750 15.341 857 H GLU 103 H GLU 103 -4.908 -1.710 13.201 858 HA GLU 103 HA GLU 103 -2.459 -3.105 13.155 859 HB2 GLU 103 2HB GLU 103 -4.879 -3.597 11.369 860 HB3 GLU 103 3HB GLU 103 -3.604 -4.752 11.747 861 HG2 GLU 103 2HG GLU 103 -4.319 -4.680 14.155 862 HG3 GLU 103 3HG GLU 103 -5.655 -3.631 13.681 863 H VAL 104 H VAL 104 -3.977 -0.972 10.786 864 HA VAL 104 HA VAL 104 -2.274 -1.630 8.582 865 HB VAL 104 HB VAL 104 -3.970 0.868 9.041 866 HG11 VAL 104 1HG1 VAL 104 -3.827 1.179 6.579 867 HG12 VAL 104 2HG1 VAL 104 -2.690 -0.160 6.481 868 HG13 VAL 104 3HG1 VAL 104 -2.249 1.307 7.355 869 HG21 VAL 104 1HG2 VAL 104 -5.640 -0.211 7.588 870 HG22 VAL 104 2HG2 VAL 104 -5.324 -1.189 9.021 871 HG23 VAL 104 3HG2 VAL 104 -4.626 -1.650 7.470 872 H LYS 105 H LYS 105 -2.350 1.136 10.902 873 HA LYS 105 HA LYS 105 -0.144 2.490 9.737 874 HB2 LYS 105 2HB LYS 105 -0.173 3.974 11.670 875 HB3 LYS 105 3HB LYS 105 -1.820 3.664 11.139 876 HG2 LYS 105 2HG LYS 105 -2.067 2.000 12.983 877 HG3 LYS 105 3HG LYS 105 -0.445 2.419 13.540 878 HD2 LYS 105 2HD LYS 105 -1.197 4.764 13.909 879 HD3 LYS 105 3HD LYS 105 -2.818 4.320 13.383 880 HE2 LYS 105 2HE LYS 105 -3.063 2.819 15.304 881 HE3 LYS 105 3HE LYS 105 -1.404 3.154 15.805 882 HZ1 LYS 105 1HZ LYS 105 -3.589 5.158 15.648 883 HZ2 LYS 105 2HZ LYS 105 -2.011 5.469 16.151 884 HZ3 LYS 105 3HZ LYS 105 -3.006 4.453 17.069 885 H ASP 106 H ASP 106 -0.362 0.121 12.378 886 HA ASP 106 HA ASP 106 2.323 -0.015 13.138 887 HB2 ASP 106 2HB ASP 106 0.539 -1.166 14.364 888 HB3 ASP 106 3HB ASP 106 0.200 -2.205 12.983 889 H ALA 107 H ALA 107 0.607 -1.698 10.490 890 HA ALA 107 HA ALA 107 2.799 -3.330 9.675 891 HB1 ALA 107 1HB ALA 107 0.301 -2.555 8.130 892 HB2 ALA 107 2HB ALA 107 0.457 -3.933 9.220 893 HB3 ALA 107 3HB ALA 107 1.401 -3.880 7.730 894 H VAL 108 H VAL 108 1.639 -0.143 8.697 895 HA VAL 108 HA VAL 108 3.367 0.247 6.468 896 HB VAL 108 HB VAL 108 1.950 2.278 8.269 897 HG11 VAL 108 1HG1 VAL 108 2.391 3.958 6.497 898 HG12 VAL 108 2HG1 VAL 108 3.394 2.796 5.638 899 HG13 VAL 108 3HG1 VAL 108 3.886 3.378 7.227 900 HG21 VAL 108 1HG2 VAL 108 0.362 2.488 6.385 901 HG22 VAL 108 2HG2 VAL 108 0.428 0.828 6.981 902 HG23 VAL 108 3HG2 VAL 108 1.259 1.260 5.485 903 H GLU 109 H GLU 109 3.516 1.379 9.861 904 HA GLU 109 HA GLU 109 5.936 2.720 9.876 905 HB2 GLU 109 2HB GLU 109 4.427 2.831 11.774 906 HB3 GLU 109 3HB GLU 109 4.567 1.100 12.063 907 HG2 GLU 109 2HG GLU 109 6.952 1.420 12.664 908 HG3 GLU 109 3HG GLU 109 6.765 3.154 12.418 909 H GLU 110 H GLU 110 5.320 -0.689 10.602 910 HA GLU 110 HA GLU 110 7.919 -1.530 11.206 911 HB2 GLU 110 2HB GLU 110 5.804 -2.766 11.740 912 HB3 GLU 110 3HB GLU 110 5.607 -3.142 10.035 913 HG2 GLU 110 2HG GLU 110 6.466 -5.091 11.132 914 HG3 GLU 110 3HG GLU 110 7.756 -4.433 10.126 915 H PHE 111 H PHE 111 6.124 -1.499 8.116 916 HA PHE 111 HA PHE 111 8.001 -2.847 6.483 917 HB2 PHE 111 2HB PHE 111 5.576 -2.419 5.939 918 HB3 PHE 111 3HB PHE 111 5.952 -0.726 5.676 919 HD1 PHE 111 HD1 PHE 111 6.696 -4.174 4.405 920 HD2 PHE 111 HD2 PHE 111 6.618 0.002 3.487 921 HE1 PHE 111 HE1 PHE 111 7.085 -4.674 2.028 922 HE2 PHE 111 HE2 PHE 111 7.014 -0.519 1.112 923 HZ PHE 111 HZ PHE 111 7.242 -2.855 0.383 924 H LEU 112 H LEU 112 7.614 0.536 7.368 925 HA LEU 112 HA LEU 112 9.522 1.655 5.553 926 HB2 LEU 112 2HB LEU 112 8.344 2.792 8.121 927 HB3 LEU 112 3HB LEU 112 9.259 3.716 6.941 928 HG LEU 112 HG LEU 112 6.594 2.370 6.348 929 HD11 LEU 112 1HD1 LEU 112 7.118 5.297 6.939 930 HD12 LEU 112 2HD1 LEU 112 6.302 4.154 8.008 931 HD13 LEU 112 3HD1 LEU 112 5.575 4.582 6.463 932 HD21 LEU 112 1HD2 LEU 112 7.971 2.649 4.357 933 HD22 LEU 112 2HD2 LEU 112 8.190 4.362 4.719 934 HD23 LEU 112 3HD2 LEU 112 6.587 3.740 4.318 935 H LYS 113 H LYS 113 9.647 0.672 8.994 936 HA LYS 113 HA LYS 113 12.274 1.695 9.484 937 HB2 LYS 113 2HB LYS 113 10.589 -0.310 11.041 938 HB3 LYS 113 3HB LYS 113 12.130 0.328 11.611 939 HG2 LYS 113 2HG LYS 113 11.109 2.651 11.437 940 HG3 LYS 113 3HG LYS 113 9.558 1.863 11.146 941 HD2 LYS 113 2HD LYS 113 9.675 0.770 13.346 942 HD3 LYS 113 3HD LYS 113 11.269 1.477 13.635 943 HE2 LYS 113 2HE LYS 113 8.642 2.973 13.356 944 HE3 LYS 113 3HE LYS 113 9.589 2.772 14.824 945 HZ1 LYS 113 1HZ LYS 113 9.915 4.954 13.886 946 HZ2 LYS 113 2HZ LYS 113 10.411 4.299 12.411 947 HZ3 LYS 113 3HZ LYS 113 11.360 4.082 13.797 948 H GLU 114 H GLU 114 11.002 -1.474 8.556 949 HA GLU 114 HA GLU 114 13.584 -2.791 8.543 950 HB2 GLU 114 2HB GLU 114 10.939 -3.652 7.295 951 HB3 GLU 114 3HB GLU 114 12.356 -4.676 7.488 952 HG2 GLU 114 2HG GLU 114 10.711 -3.476 9.733 953 HG3 GLU 114 3HG GLU 114 10.652 -5.148 9.191 954 H GLY 115 H GLY 115 12.341 -0.445 6.570 955 HA2 GLY 115 2HA GLY 115 13.366 0.456 4.674 956 HA3 GLY 115 3HA GLY 115 14.147 -1.088 4.350 957 H GLY 116 H GLY 116 12.237 -2.882 4.203 958 HA2 GLY 116 2HA GLY 116 9.748 -2.163 3.058 959 HA3 GLY 116 3HA GLY 116 10.896 -2.590 1.784 960 H SER 117 H SER 117 9.929 -3.834 5.028 961 HA SER 117 HA SER 117 9.197 -6.424 3.930 962 HB2 SER 117 2HB SER 117 11.557 -6.193 5.858 963 HB3 SER 117 3HB SER 117 10.752 -7.711 5.453 964 HG SER 117 HG SER 117 11.313 -6.856 3.155 965 H LEU 118 H LEU 118 7.857 -7.556 5.210 966 HA LEU 118 HA LEU 118 7.436 -6.868 8.057 967 HB2 LEU 118 2HB LEU 118 5.326 -7.815 6.054 968 HB3 LEU 118 3HB LEU 118 5.067 -7.644 7.781 969 HG LEU 118 HG LEU 118 5.547 -5.384 5.802 970 HD11 LEU 118 1HD1 LEU 118 3.090 -6.122 7.431 971 HD12 LEU 118 2HD1 LEU 118 3.287 -6.318 5.687 972 HD13 LEU 118 3HD1 LEU 118 3.260 -4.704 6.390 973 HD21 LEU 118 1HD2 LEU 118 5.195 -3.862 7.690 974 HD22 LEU 118 2HD2 LEU 118 6.627 -4.858 7.921 975 HD23 LEU 118 3HD2 LEU 118 5.142 -5.236 8.798 976 H GLU 119 H GLU 119 6.936 -9.311 5.493 977 HA GLU 119 HA GLU 119 7.346 -11.585 7.200 978 HB2 GLU 119 2HB GLU 119 7.270 -11.317 4.166 979 HB3 GLU 119 3HB GLU 119 7.447 -12.858 4.999 980 HG2 GLU 119 2HG GLU 119 5.079 -10.977 5.194 981 HG3 GLU 119 3HG GLU 119 5.128 -12.506 4.319 982 H HIS 120 H HIS 120 9.083 -13.110 7.006 983 HA HIS 120 HA HIS 120 11.608 -11.699 7.264 984 HB2 HIS 120 2HB HIS 120 10.798 -14.557 7.966 985 HB3 HIS 120 3HB HIS 120 12.394 -13.876 8.273 986 HD1 HIS 120 HD1 HIS 120 8.874 -13.826 9.523 987 HD2 HIS 120 HD2 HIS 120 12.504 -11.985 10.394 988 HE1 HIS 120 HE1 HIS 120 8.537 -12.669 11.732 989 HE2 HIS 120 HE2 HIS 120 10.684 -11.429 12.144 990 H HIS 121 H HIS 121 12.643 -11.384 5.370 991 HA HIS 121 HA HIS 121 13.127 -13.295 3.318 992 HB2 HIS 121 2HB HIS 121 13.520 -10.866 3.016 993 HB3 HIS 121 3HB HIS 121 14.773 -10.890 4.250 994 HD1 HIS 121 HD1 HIS 121 16.976 -10.640 3.132 995 HD2 HIS 121 HD2 HIS 121 14.372 -12.939 0.853 996 HE1 HIS 121 HE1 HIS 121 18.258 -11.277 1.072 997 HE2 HIS 121 HE2 HIS 121 16.750 -12.860 -0.153 998 H HIS 122 H HIS 122 13.880 -15.252 3.934 999 HA HIS 122 HA HIS 122 14.955 -15.856 6.423 1000 HB2 HIS 122 2HB HIS 122 15.115 -17.558 3.911 1001 HB3 HIS 122 3HB HIS 122 15.322 -18.139 5.559 1002 HD1 HIS 122 HD1 HIS 122 13.064 -17.600 7.125 1003 HD2 HIS 122 HD2 HIS 122 12.586 -17.922 3.013 1004 HE1 HIS 122 HE1 HIS 122 10.615 -18.013 6.764 1005 HE2 HIS 122 HE2 HIS 122 10.349 -18.204 4.280 1006 H HIS 123 H HIS 123 16.843 -15.248 7.188 1007 HA HIS 123 HA HIS 123 19.247 -14.970 5.568 1008 HB2 HIS 123 2HB HIS 123 18.931 -14.774 8.595 1009 HB3 HIS 123 3HB HIS 123 20.299 -14.200 7.645 1010 HD1 HIS 123 HD1 HIS 123 17.766 -12.770 9.475 1011 HD2 HIS 123 HD2 HIS 123 18.953 -12.228 5.522 1012 HE1 HIS 123 HE1 HIS 123 16.938 -10.488 8.823 1013 HE2 HIS 123 HE2 HIS 123 17.571 -10.230 6.405 1014 H HIS 124 H HIS 124 19.935 -16.963 4.869 1015 HA HIS 124 HA HIS 124 19.823 -19.338 6.520 1016 HB2 HIS 124 2HB HIS 124 21.029 -18.850 3.764 1017 HB3 HIS 124 3HB HIS 124 21.022 -20.421 4.557 1018 HD1 HIS 124 HD1 HIS 124 18.979 -21.846 4.221 1019 HD2 HIS 124 HD2 HIS 124 18.311 -17.885 3.148 1020 HE1 HIS 124 HE1 HIS 124 16.723 -21.809 3.117 1021 HE2 HIS 124 HE2 HIS 124 16.438 -19.450 2.309 1022 H HIS 125 H HIS 125 21.898 -20.762 6.526 1023 HA HIS 125 HA HIS 125 24.348 -19.245 7.068 1024 HB2 HIS 125 2HB HIS 125 24.724 -20.418 9.230 1025 HB3 HIS 125 3HB HIS 125 23.322 -19.359 9.268 1026 HD1 HIS 125 HD1 HIS 125 24.363 -22.580 10.354 1027 HD2 HIS 125 HD2 HIS 125 20.806 -21.030 8.862 1028 HE1 HIS 125 HE1 HIS 125 22.573 -24.192 11.064 1029 HE2 HIS 125 HE2 HIS 125 20.429 -23.128 10.320 Start of MODEL 12 1 H1 MET 1 1H MET 1 15.380 11.101 -1.631 2 H2 MET 1 2H MET 1 16.878 11.746 -2.059 3 H3 MET 1 3H MET 1 16.763 10.142 -1.540 4 HA MET 1 HA MET 1 15.527 11.238 -3.984 5 HB2 MET 1 2HB MET 1 17.994 9.461 -3.675 6 HB3 MET 1 3HB MET 1 17.249 9.902 -5.212 7 HG2 MET 1 2HG MET 1 18.580 11.790 -3.248 8 HG3 MET 1 3HG MET 1 19.197 11.295 -4.830 9 HE1 MET 1 1HE MET 1 18.172 15.122 -5.283 10 HE2 MET 1 2HE MET 1 19.513 13.979 -5.349 11 HE3 MET 1 3HE MET 1 18.784 14.397 -3.796 12 H GLY 2 H GLY 2 13.627 10.248 -4.012 13 HA2 GLY 2 2HA GLY 2 12.963 7.693 -4.568 14 HA3 GLY 2 3HA GLY 2 13.132 7.655 -2.810 15 H LYS 3 H LYS 3 10.757 7.076 -3.076 16 HA LYS 3 HA LYS 3 9.140 9.375 -2.480 17 HB2 LYS 3 2HB LYS 3 9.165 9.319 -5.021 18 HB3 LYS 3 3HB LYS 3 8.369 7.754 -4.945 19 HG2 LYS 3 2HG LYS 3 6.711 9.434 -5.401 20 HG3 LYS 3 3HG LYS 3 6.446 8.850 -3.752 21 HD2 LYS 3 2HD LYS 3 7.587 10.855 -2.848 22 HD3 LYS 3 3HD LYS 3 7.935 11.413 -4.488 23 HE2 LYS 3 2HE LYS 3 5.468 11.565 -4.896 24 HE3 LYS 3 3HE LYS 3 5.204 11.136 -3.203 25 HZ1 LYS 3 1HZ LYS 3 5.142 13.538 -3.619 26 HZ2 LYS 3 2HZ LYS 3 6.758 13.495 -4.106 27 HZ3 LYS 3 3HZ LYS 3 6.345 13.102 -2.517 28 H VAL 4 H VAL 4 8.320 8.543 -0.647 29 HA VAL 4 HA VAL 4 7.228 5.818 -0.546 30 HB VAL 4 HB VAL 4 7.273 7.830 1.758 31 HG11 VAL 4 1HG1 VAL 4 5.768 5.891 2.035 32 HG12 VAL 4 2HG1 VAL 4 7.112 5.816 3.176 33 HG13 VAL 4 3HG1 VAL 4 7.118 4.787 1.741 34 HG21 VAL 4 1HG2 VAL 4 9.373 6.802 2.552 35 HG22 VAL 4 2HG2 VAL 4 9.597 7.569 0.979 36 HG23 VAL 4 3HG2 VAL 4 9.456 5.814 1.090 37 H VAL 5 H VAL 5 5.119 5.544 -0.976 38 HA VAL 5 HA VAL 5 3.204 7.768 -0.542 39 HB VAL 5 HB VAL 5 3.253 5.781 -2.870 40 HG11 VAL 5 1HG1 VAL 5 0.920 6.204 -2.193 41 HG12 VAL 5 2HG1 VAL 5 1.263 6.966 -3.748 42 HG13 VAL 5 3HG1 VAL 5 1.195 7.947 -2.281 43 HG21 VAL 5 1HG2 VAL 5 3.563 7.795 -4.280 44 HG22 VAL 5 2HG2 VAL 5 4.887 7.593 -3.132 45 HG23 VAL 5 3HG2 VAL 5 3.632 8.799 -2.827 46 H PHE 6 H PHE 6 1.420 7.245 0.594 47 HA PHE 6 HA PHE 6 0.771 4.385 1.032 48 HB2 PHE 6 2HB PHE 6 1.235 5.624 3.135 49 HB3 PHE 6 3HB PHE 6 -0.008 6.805 2.728 50 HD1 PHE 6 HD1 PHE 6 0.411 3.094 3.116 51 HD2 PHE 6 HD2 PHE 6 -2.171 6.472 3.646 52 HE1 PHE 6 HE1 PHE 6 -1.287 1.643 4.131 53 HE2 PHE 6 HE2 PHE 6 -3.858 5.004 4.662 54 HZ PHE 6 HZ PHE 6 -3.418 2.593 4.895 55 H LEU 7 H LEU 7 -0.705 3.810 -0.420 56 HA LEU 7 HA LEU 7 -2.985 5.534 -1.110 57 HB2 LEU 7 2HB LEU 7 -1.893 4.402 -2.977 58 HB3 LEU 7 3HB LEU 7 -2.011 2.848 -2.168 59 HG LEU 7 HG LEU 7 -4.499 2.910 -2.426 60 HD11 LEU 7 1HD1 LEU 7 -5.554 4.581 -3.888 61 HD12 LEU 7 2HD1 LEU 7 -4.032 5.471 -3.965 62 HD13 LEU 7 3HD1 LEU 7 -4.882 5.301 -2.428 63 HD21 LEU 7 1HD2 LEU 7 -2.991 3.262 -5.035 64 HD22 LEU 7 2HD2 LEU 7 -4.567 2.488 -4.840 65 HD23 LEU 7 3HD2 LEU 7 -3.137 1.766 -4.107 66 H SER 8 H SER 8 -4.998 5.181 -0.221 67 HA SER 8 HA SER 8 -5.861 2.570 0.617 68 HB2 SER 8 2HB SER 8 -4.783 3.276 2.703 69 HB3 SER 8 3HB SER 8 -5.641 4.814 2.672 70 HG SER 8 HG SER 8 -7.361 3.867 3.443 71 H ASP 9 H ASP 9 -8.053 2.390 0.478 72 HA ASP 9 HA ASP 9 -9.465 4.441 -0.985 73 HB2 ASP 9 2HB ASP 9 -9.789 2.138 -1.638 74 HB3 ASP 9 3HB ASP 9 -10.258 1.667 -0.005 75 H ASP 10 H ASP 10 -9.279 3.427 2.316 76 HA ASP 10 HA ASP 10 -11.686 4.951 3.086 77 HB2 ASP 10 2HB ASP 10 -11.517 2.630 3.953 78 HB3 ASP 10 3HB ASP 10 -9.983 3.020 4.727 79 H GLN 11 H GLN 11 -11.543 6.828 4.112 80 HA GLN 11 HA GLN 11 -9.164 8.342 4.134 81 HB2 GLN 11 2HB GLN 11 -11.375 9.361 3.786 82 HB3 GLN 11 3HB GLN 11 -11.863 8.926 5.418 83 HG2 GLN 11 2HG GLN 11 -11.320 11.286 5.346 84 HG3 GLN 11 3HG GLN 11 -10.126 10.455 6.334 85 HE21 GLN 11 1HE2 GLN 11 -7.969 10.296 5.556 86 HE22 GLN 11 2HE2 GLN 11 -7.396 11.298 4.269 87 H GLU 12 H GLU 12 -10.916 6.691 6.770 88 HA GLU 12 HA GLU 12 -9.566 7.987 8.928 89 HB2 GLU 12 2HB GLU 12 -10.958 5.275 8.972 90 HB3 GLU 12 3HB GLU 12 -10.583 6.289 10.370 91 HG2 GLU 12 2HG GLU 12 -12.145 7.999 9.589 92 HG3 GLU 12 3HG GLU 12 -12.479 7.063 8.129 93 H ILE 13 H ILE 13 -8.936 5.110 7.031 94 HA ILE 13 HA ILE 13 -6.773 3.992 8.501 95 HB ILE 13 HB ILE 13 -7.357 3.922 5.500 96 HG12 ILE 13 2HG1 ILE 13 -9.163 2.904 6.955 97 HG13 ILE 13 3HG1 ILE 13 -8.426 1.762 5.841 98 HG21 ILE 13 1HG2 ILE 13 -5.470 2.171 7.108 99 HG22 ILE 13 2HG2 ILE 13 -5.006 3.411 5.940 100 HG23 ILE 13 3HG2 ILE 13 -5.864 1.974 5.398 101 HD11 ILE 13 1HD1 ILE 13 -7.865 1.988 8.792 102 HD12 ILE 13 2HD1 ILE 13 -7.113 0.832 7.690 103 HD13 ILE 13 3HD1 ILE 13 -8.848 0.762 7.996 104 H ILE 14 H ILE 14 -6.960 6.249 5.755 105 HA ILE 14 HA ILE 14 -4.271 6.823 5.305 106 HB ILE 14 HB ILE 14 -6.716 8.627 4.957 107 HG12 ILE 14 2HG1 ILE 14 -5.253 6.990 2.831 108 HG13 ILE 14 3HG1 ILE 14 -6.715 6.453 3.652 109 HG21 ILE 14 1HG2 ILE 14 -5.379 9.975 3.379 110 HG22 ILE 14 2HG2 ILE 14 -3.951 9.009 3.759 111 HG23 ILE 14 3HG2 ILE 14 -4.694 10.015 5.003 112 HD11 ILE 14 1HD1 ILE 14 -7.272 7.330 1.490 113 HD12 ILE 14 2HD1 ILE 14 -6.454 8.848 1.840 114 HD13 ILE 14 3HD1 ILE 14 -7.914 8.409 2.728 115 H GLU 15 H GLU 15 -6.576 8.251 7.602 116 HA GLU 15 HA GLU 15 -4.943 10.439 8.423 117 HB2 GLU 15 2HB GLU 15 -7.427 9.204 9.689 118 HB3 GLU 15 3HB GLU 15 -6.680 10.713 10.228 119 HG2 GLU 15 2HG GLU 15 -7.093 11.730 8.034 120 HG3 GLU 15 3HG GLU 15 -7.782 10.226 7.442 121 H GLU 16 H GLU 16 -5.466 7.159 9.668 122 HA GLU 16 HA GLU 16 -4.064 7.405 12.117 123 HB2 GLU 16 2HB GLU 16 -4.607 5.002 10.331 124 HB3 GLU 16 3HB GLU 16 -3.770 4.854 11.875 125 HG2 GLU 16 2HG GLU 16 -6.585 5.900 11.474 126 HG3 GLU 16 3HG GLU 16 -6.155 4.298 12.063 127 H VAL 17 H VAL 17 -3.021 6.365 8.890 128 HA VAL 17 HA VAL 17 -0.286 5.885 9.578 129 HB VAL 17 HB VAL 17 -1.619 6.296 6.860 130 HG11 VAL 17 1HG1 VAL 17 0.796 6.713 6.658 131 HG12 VAL 17 2HG1 VAL 17 0.370 5.191 5.875 132 HG13 VAL 17 3HG1 VAL 17 1.148 5.180 7.460 133 HG21 VAL 17 1HG2 VAL 17 -0.900 3.742 8.357 134 HG22 VAL 17 2HG2 VAL 17 -1.573 3.813 6.728 135 HG23 VAL 17 3HG2 VAL 17 -2.527 4.376 8.100 136 H SER 18 H SER 18 -1.989 8.617 8.094 137 HA SER 18 HA SER 18 0.209 10.156 7.280 138 HB2 SER 18 2HB SER 18 -2.049 10.520 6.363 139 HB3 SER 18 3HB SER 18 -2.638 11.036 7.940 140 HG SER 18 HG SER 18 -1.405 12.876 7.791 141 H LYS 19 H LYS 19 -1.786 10.245 10.243 142 HA LYS 19 HA LYS 19 -0.601 12.480 11.432 143 HB2 LYS 19 2HB LYS 19 -2.811 11.323 12.081 144 HB3 LYS 19 3HB LYS 19 -1.833 10.157 12.966 145 HG2 LYS 19 2HG LYS 19 -2.612 11.843 14.505 146 HG3 LYS 19 3HG LYS 19 -0.864 12.027 14.309 147 HD2 LYS 19 2HD LYS 19 -1.284 13.861 12.639 148 HD3 LYS 19 3HD LYS 19 -3.018 13.711 12.949 149 HE2 LYS 19 2HE LYS 19 -2.212 15.561 14.218 150 HE3 LYS 19 3HE LYS 19 -2.533 14.258 15.359 151 HZ1 LYS 19 1HZ LYS 19 0.138 15.011 14.288 152 HZ2 LYS 19 2HZ LYS 19 -0.159 13.762 15.389 153 HZ3 LYS 19 3HZ LYS 19 -0.447 15.363 15.833 154 H LYS 20 H LYS 20 0.055 8.998 11.847 155 HA LYS 20 HA LYS 20 2.097 9.349 13.800 156 HB2 LYS 20 2HB LYS 20 0.696 7.264 13.468 157 HB3 LYS 20 3HB LYS 20 1.688 6.892 12.055 158 HG2 LYS 20 2HG LYS 20 3.676 6.690 13.417 159 HG3 LYS 20 3HG LYS 20 2.828 7.316 14.834 160 HD2 LYS 20 2HD LYS 20 1.266 5.236 14.535 161 HD3 LYS 20 3HD LYS 20 2.559 4.617 13.497 162 HE2 LYS 20 2HE LYS 20 2.821 5.410 16.415 163 HE3 LYS 20 3HE LYS 20 2.825 3.773 15.765 164 HZ1 LYS 20 1HZ LYS 20 4.848 4.321 14.553 165 HZ2 LYS 20 2HZ LYS 20 5.047 4.476 16.220 166 HZ3 LYS 20 3HZ LYS 20 4.869 5.853 15.260 167 H ALA 21 H ALA 21 2.120 9.074 10.292 168 HA ALA 21 HA ALA 21 4.906 8.948 9.849 169 HB1 ALA 21 1HB ALA 21 2.758 10.169 8.081 170 HB2 ALA 21 2HB ALA 21 3.253 8.475 8.080 171 HB3 ALA 21 3HB ALA 21 4.393 9.727 7.572 172 H GLU 22 H GLU 22 2.654 11.623 10.382 173 HA GLU 22 HA GLU 22 4.439 13.786 10.002 174 HB2 GLU 22 2HB GLU 22 1.979 14.044 10.042 175 HB3 GLU 22 3HB GLU 22 1.946 13.586 11.739 176 HG2 GLU 22 2HG GLU 22 3.378 15.630 12.216 177 HG3 GLU 22 3HG GLU 22 3.119 16.110 10.539 178 H GLU 23 H GLU 23 3.490 11.943 12.923 179 HA GLU 23 HA GLU 23 4.926 13.301 14.868 180 HB2 GLU 23 2HB GLU 23 4.465 10.287 14.793 181 HB3 GLU 23 3HB GLU 23 4.795 11.255 16.229 182 HG2 GLU 23 2HG GLU 23 2.305 11.350 14.506 183 HG3 GLU 23 3HG GLU 23 2.444 10.642 16.107 184 H GLU 24 H GLU 24 5.997 10.683 12.722 185 HA GLU 24 HA GLU 24 8.669 10.612 13.930 186 HB2 GLU 24 2HB GLU 24 7.444 8.889 11.749 187 HB3 GLU 24 3HB GLU 24 9.017 8.627 12.500 188 HG2 GLU 24 2HG GLU 24 6.285 8.385 13.795 189 HG3 GLU 24 3HG GLU 24 7.444 7.092 13.473 190 H GLY 25 H GLY 25 7.161 12.253 11.399 191 HA2 GLY 25 2HA GLY 25 8.009 13.752 9.881 192 HA3 GLY 25 3HA GLY 25 9.633 13.349 10.407 193 H TYR 26 H TYR 26 7.614 10.726 9.416 194 HA TYR 26 HA TYR 26 9.149 9.985 7.149 195 HB2 TYR 26 2HB TYR 26 6.391 9.106 8.102 196 HB3 TYR 26 3HB TYR 26 7.174 8.402 6.697 197 HD1 TYR 26 HD1 TYR 26 9.905 7.910 7.495 198 HD2 TYR 26 HD2 TYR 26 6.334 7.495 9.816 199 HE1 TYR 26 HE1 TYR 26 10.980 6.171 8.844 200 HE2 TYR 26 HE2 TYR 26 7.418 5.761 11.187 201 HH TYR 26 HH TYR 26 10.798 5.124 10.997 202 H ASP 27 H ASP 27 9.183 11.169 5.316 203 HA ASP 27 HA ASP 27 7.031 12.855 4.432 204 HB2 ASP 27 2HB ASP 27 9.366 13.499 4.011 205 HB3 ASP 27 3HB ASP 27 9.631 12.039 3.060 206 H ILE 28 H ILE 28 5.286 11.489 4.204 207 HA ILE 28 HA ILE 28 5.339 9.524 1.980 208 HB ILE 28 HB ILE 28 3.505 9.442 4.429 209 HG12 ILE 28 2HG1 ILE 28 5.966 7.740 3.797 210 HG13 ILE 28 3HG1 ILE 28 5.819 8.907 5.105 211 HG21 ILE 28 1HG2 ILE 28 2.483 8.471 2.405 212 HG22 ILE 28 2HG2 ILE 28 2.835 7.217 3.593 213 HG23 ILE 28 3HG2 ILE 28 3.885 7.418 2.188 214 HD11 ILE 28 1HD1 ILE 28 4.302 6.310 4.846 215 HD12 ILE 28 2HD1 ILE 28 4.080 7.499 6.134 216 HD13 ILE 28 3HD1 ILE 28 5.626 6.671 5.955 217 H GLN 29 H GLN 29 4.147 10.171 0.284 218 HA GLN 29 HA GLN 29 2.074 12.199 0.465 219 HB2 GLN 29 2HB GLN 29 3.538 12.166 -1.508 220 HB3 GLN 29 3HB GLN 29 3.098 10.508 -1.866 221 HG2 GLN 29 2HG GLN 29 1.971 12.144 -3.364 222 HG3 GLN 29 3HG GLN 29 0.834 11.160 -2.444 223 HE21 GLN 29 1HE2 GLN 29 2.112 14.370 -2.901 224 HE22 GLN 29 2HE2 GLN 29 0.935 15.193 -1.946 225 H THR 30 H THR 30 0.012 11.670 0.965 226 HA THR 30 HA THR 30 -0.857 8.850 0.853 227 HB THR 30 HB THR 30 -2.733 9.721 2.394 228 HG1 THR 30 HG1 THR 30 -1.003 11.913 2.892 229 HG21 THR 30 1HG2 THR 30 -1.316 9.706 4.424 230 HG22 THR 30 2HG2 THR 30 0.125 9.924 3.427 231 HG23 THR 30 3HG2 THR 30 -0.820 8.437 3.298 232 H SER 31 H SER 31 -2.721 8.260 -0.207 233 HA SER 31 HA SER 31 -4.332 10.206 -1.673 234 HB2 SER 31 2HB SER 31 -2.446 9.699 -3.227 235 HB3 SER 31 3HB SER 31 -2.799 7.977 -3.102 236 HG SER 31 HG SER 31 -3.688 9.217 -4.968 237 H ASN 32 H ASN 32 -6.331 9.359 -2.314 238 HA ASN 32 HA ASN 32 -7.123 6.704 -1.296 239 HB2 ASN 32 2HB ASN 32 -8.443 8.635 -0.438 240 HB3 ASN 32 3HB ASN 32 -8.855 9.103 -2.080 241 HD21 ASN 32 1HD2 ASN 32 -10.545 8.352 0.223 242 HD22 ASN 32 2HD2 ASN 32 -11.557 7.073 -0.337 243 H ASP 33 H ASP 33 -7.257 8.847 -4.095 244 HA ASP 33 HA ASP 33 -8.605 7.014 -5.836 245 HB2 ASP 33 2HB ASP 33 -8.848 9.405 -6.202 246 HB3 ASP 33 3HB ASP 33 -7.100 9.610 -6.361 247 H LYS 34 H LYS 34 -7.655 5.204 -6.476 248 HA LYS 34 HA LYS 34 -4.862 4.746 -6.654 249 HB2 LYS 34 2HB LYS 34 -5.342 2.537 -7.384 250 HB3 LYS 34 3HB LYS 34 -6.622 2.945 -6.251 251 HG2 LYS 34 2HG LYS 34 -6.993 3.201 -9.248 252 HG3 LYS 34 3HG LYS 34 -7.255 1.675 -8.408 253 HD2 LYS 34 2HD LYS 34 -8.705 4.240 -7.648 254 HD3 LYS 34 3HD LYS 34 -9.327 3.113 -8.855 255 HE2 LYS 34 2HE LYS 34 -9.316 1.310 -7.121 256 HE3 LYS 34 3HE LYS 34 -8.801 2.501 -5.922 257 HZ1 LYS 34 1HZ LYS 34 -11.231 1.997 -6.014 258 HZ2 LYS 34 2HZ LYS 34 -11.286 2.778 -7.510 259 HZ3 LYS 34 3HZ LYS 34 -10.837 3.636 -6.120 260 H LYS 35 H LYS 35 -7.071 6.145 -8.959 261 HA LYS 35 HA LYS 35 -5.867 5.264 -11.388 262 HB2 LYS 35 2HB LYS 35 -7.400 7.861 -10.952 263 HB3 LYS 35 3HB LYS 35 -7.181 7.014 -12.480 264 HG2 LYS 35 2HG LYS 35 -8.690 5.771 -10.161 265 HG3 LYS 35 3HG LYS 35 -9.472 6.863 -11.293 266 HD2 LYS 35 2HD LYS 35 -10.017 4.726 -12.100 267 HD3 LYS 35 3HD LYS 35 -8.700 5.237 -13.151 268 HE2 LYS 35 2HE LYS 35 -7.139 3.809 -11.922 269 HE3 LYS 35 3HE LYS 35 -8.398 3.399 -10.757 270 HZ1 LYS 35 1HZ LYS 35 -8.099 1.648 -12.384 271 HZ2 LYS 35 2HZ LYS 35 -8.446 2.718 -13.647 272 HZ3 LYS 35 3HZ LYS 35 -9.642 2.324 -12.523 273 H GLU 36 H GLU 36 -5.399 8.109 -9.330 274 HA GLU 36 HA GLU 36 -3.390 9.487 -10.727 275 HB2 GLU 36 2HB GLU 36 -4.554 10.495 -8.818 276 HB3 GLU 36 3HB GLU 36 -3.948 9.242 -7.735 277 HG2 GLU 36 2HG GLU 36 -1.605 10.106 -8.190 278 HG3 GLU 36 3HG GLU 36 -2.336 11.443 -9.079 279 H ILE 37 H ILE 37 -3.242 6.957 -8.280 280 HA ILE 37 HA ILE 37 -0.492 6.838 -7.825 281 HB ILE 37 HB ILE 37 -2.663 4.722 -7.553 282 HG12 ILE 37 2HG1 ILE 37 -3.033 6.712 -6.147 283 HG13 ILE 37 3HG1 ILE 37 -2.622 5.327 -5.144 284 HG21 ILE 37 1HG2 ILE 37 -0.534 3.563 -7.678 285 HG22 ILE 37 2HG2 ILE 37 -1.134 3.516 -6.019 286 HG23 ILE 37 3HG2 ILE 37 0.161 4.634 -6.459 287 HD11 ILE 37 1HD1 ILE 37 -0.803 7.607 -5.893 288 HD12 ILE 37 2HD1 ILE 37 -0.313 6.184 -4.965 289 HD13 ILE 37 3HD1 ILE 37 -1.531 7.282 -4.322 290 H ILE 38 H ILE 38 -2.509 4.803 -9.947 291 HA ILE 38 HA ILE 38 -0.517 3.070 -10.902 292 HB ILE 38 HB ILE 38 -3.191 3.884 -12.141 293 HG12 ILE 38 2HG1 ILE 38 -2.479 1.368 -10.557 294 HG13 ILE 38 3HG1 ILE 38 -3.219 2.797 -9.843 295 HG21 ILE 38 1HG2 ILE 38 -1.441 1.514 -12.903 296 HG22 ILE 38 2HG2 ILE 38 -1.749 2.934 -13.901 297 HG23 ILE 38 3HG2 ILE 38 -3.067 1.828 -13.516 298 HD11 ILE 38 1HD1 ILE 38 -4.870 1.102 -10.257 299 HD12 ILE 38 2HD1 ILE 38 -4.439 1.043 -11.966 300 HD13 ILE 38 3HD1 ILE 38 -5.171 2.501 -11.287 301 H ASP 39 H ASP 39 -1.705 6.191 -12.047 302 HA ASP 39 HA ASP 39 -0.292 6.398 -14.477 303 HB2 ASP 39 2HB ASP 39 -2.098 7.946 -14.072 304 HB3 ASP 39 3HB ASP 39 -1.382 8.504 -12.564 305 H ARG 40 H ARG 40 0.542 7.446 -11.169 306 HA ARG 40 HA ARG 40 3.064 8.596 -11.839 307 HB2 ARG 40 2HB ARG 40 1.975 7.634 -9.156 308 HB3 ARG 40 3HB ARG 40 3.455 8.580 -9.356 309 HG2 ARG 40 2HG ARG 40 2.086 10.380 -10.438 310 HG3 ARG 40 3HG ARG 40 0.642 9.444 -10.064 311 HD2 ARG 40 2HD ARG 40 0.956 9.737 -7.707 312 HD3 ARG 40 3HD ARG 40 2.581 10.405 -7.939 313 HE ARG 40 HE ARG 40 0.701 11.972 -9.352 314 HH11 ARG 40 1HH1 ARG 40 1.645 11.360 -6.009 315 HH12 ARG 40 2HH1 ARG 40 1.136 12.929 -5.472 316 HH21 ARG 40 1HH2 ARG 40 0.106 14.023 -8.624 317 HH22 ARG 40 2HH2 ARG 40 0.267 14.425 -6.942 318 H LEU 41 H LEU 41 2.061 5.357 -10.912 319 HA LEU 41 HA LEU 41 4.633 4.211 -10.587 320 HB2 LEU 41 2HB LEU 41 1.937 3.000 -11.271 321 HB3 LEU 41 3HB LEU 41 3.374 2.027 -10.995 322 HG LEU 41 HG LEU 41 2.137 3.884 -8.913 323 HD11 LEU 41 1HD1 LEU 41 1.919 0.865 -9.111 324 HD12 LEU 41 2HD1 LEU 41 0.622 2.024 -9.422 325 HD13 LEU 41 3HD1 LEU 41 1.299 1.881 -7.802 326 HD21 LEU 41 1HD2 LEU 41 3.609 2.731 -7.320 327 HD22 LEU 41 2HD2 LEU 41 4.535 3.556 -8.570 328 HD23 LEU 41 3HD2 LEU 41 4.332 1.802 -8.640 329 H LYS 42 H LYS 42 2.542 4.727 -13.433 330 HA LYS 42 HA LYS 42 3.954 3.284 -15.397 331 HB2 LYS 42 2HB LYS 42 2.494 5.948 -15.725 332 HB3 LYS 42 3HB LYS 42 3.030 4.936 -17.062 333 HG2 LYS 42 2HG LYS 42 1.462 3.201 -16.457 334 HG3 LYS 42 3HG LYS 42 1.018 4.057 -14.982 335 HD2 LYS 42 2HD LYS 42 0.151 5.949 -16.398 336 HD3 LYS 42 3HD LYS 42 0.491 4.973 -17.833 337 HE2 LYS 42 2HE LYS 42 -1.410 4.176 -15.599 338 HE3 LYS 42 3HE LYS 42 -1.899 4.888 -17.138 339 HZ1 LYS 42 1HZ LYS 42 -0.550 2.268 -16.769 340 HZ2 LYS 42 2HZ LYS 42 -0.922 2.956 -18.263 341 HZ3 LYS 42 3HZ LYS 42 -2.163 2.520 -17.206 342 H ARG 43 H ARG 43 4.463 6.467 -14.024 343 HA ARG 43 HA ARG 43 6.601 7.202 -15.871 344 HB2 ARG 43 2HB ARG 43 5.623 8.782 -13.456 345 HB3 ARG 43 3HB ARG 43 6.469 9.393 -14.878 346 HG2 ARG 43 2HG ARG 43 4.461 8.854 -16.258 347 HG3 ARG 43 3HG ARG 43 3.635 8.323 -14.788 348 HD2 ARG 43 2HD ARG 43 3.979 10.647 -13.860 349 HD3 ARG 43 3HD ARG 43 4.581 11.129 -15.450 350 HE ARG 43 HE ARG 43 1.914 9.908 -15.279 351 HH11 ARG 43 1HH1 ARG 43 3.793 12.857 -15.751 352 HH12 ARG 43 2HH1 ARG 43 2.447 13.745 -16.384 353 HH21 ARG 43 1HH2 ARG 43 0.175 11.085 -16.057 354 HH22 ARG 43 2HH2 ARG 43 0.383 12.737 -16.558 355 H ARG 44 H ARG 44 6.422 5.425 -13.039 356 HA ARG 44 HA ARG 44 7.790 4.729 -11.396 357 HB2 ARG 44 2HB ARG 44 9.383 4.699 -13.633 358 HB3 ARG 44 3HB ARG 44 10.317 5.805 -12.643 359 HG2 ARG 44 2HG ARG 44 9.543 2.962 -11.892 360 HG3 ARG 44 3HG ARG 44 11.123 3.473 -12.475 361 HD2 ARG 44 2HD ARG 44 11.462 4.813 -10.461 362 HD3 ARG 44 3HD ARG 44 9.841 4.420 -9.889 363 HE ARG 44 HE ARG 44 11.040 1.988 -10.199 364 HH11 ARG 44 1HH1 ARG 44 11.867 4.883 -8.380 365 HH12 ARG 44 2HH1 ARG 44 12.684 4.009 -7.129 366 HH21 ARG 44 1HH2 ARG 44 12.097 0.863 -8.521 367 HH22 ARG 44 2HH2 ARG 44 12.808 1.744 -7.211 368 H ASN 45 H ASN 45 6.639 7.404 -11.353 369 HA ASN 45 HA ASN 45 8.302 9.245 -10.000 370 HB2 ASN 45 2HB ASN 45 5.271 8.898 -9.950 371 HB3 ASN 45 3HB ASN 45 6.104 10.246 -9.180 372 HD21 ASN 45 1HD2 ASN 45 8.073 10.490 -11.410 373 HD22 ASN 45 2HD2 ASN 45 7.179 11.198 -12.705 374 H ILE 46 H ILE 46 6.592 6.394 -8.968 375 HA ILE 46 HA ILE 46 6.984 6.989 -6.093 376 HB ILE 46 HB ILE 46 5.228 4.839 -7.371 377 HG12 ILE 46 2HG1 ILE 46 4.437 7.518 -6.125 378 HG13 ILE 46 3HG1 ILE 46 4.335 7.102 -7.832 379 HG21 ILE 46 1HG2 ILE 46 4.295 4.525 -5.100 380 HG22 ILE 46 2HG2 ILE 46 5.439 5.707 -4.462 381 HG23 ILE 46 3HG2 ILE 46 6.025 4.183 -5.134 382 HD11 ILE 46 1HD1 ILE 46 2.624 5.404 -7.292 383 HD12 ILE 46 2HD1 ILE 46 2.154 7.034 -6.818 384 HD13 ILE 46 3HD1 ILE 46 2.703 5.890 -5.593 385 H ASP 47 H ASP 47 8.530 5.931 -5.013 386 HA ASP 47 HA ASP 47 10.105 3.819 -6.349 387 HB2 ASP 47 2HB ASP 47 11.391 5.699 -5.539 388 HB3 ASP 47 3HB ASP 47 10.657 5.595 -3.939 389 H MET 48 H MET 48 8.136 4.363 -3.504 390 HA MET 48 HA MET 48 7.801 1.513 -3.100 391 HB2 MET 48 2HB MET 48 8.319 1.635 -0.647 392 HB3 MET 48 3HB MET 48 9.727 1.855 -1.669 393 HG2 MET 48 2HG MET 48 9.512 4.330 -1.315 394 HG3 MET 48 3HG MET 48 8.248 3.989 -0.131 395 HE1 MET 48 1HE MET 48 9.437 1.258 1.217 396 HE2 MET 48 2HE MET 48 8.706 2.575 2.135 397 HE3 MET 48 3HE MET 48 10.296 1.961 2.586 398 H ILE 49 H ILE 49 5.809 1.042 -2.260 399 HA ILE 49 HA ILE 49 4.071 3.215 -1.347 400 HB ILE 49 HB ILE 49 3.764 3.233 -3.781 401 HG12 ILE 49 2HG1 ILE 49 1.361 2.006 -2.352 402 HG13 ILE 49 3HG1 ILE 49 1.797 3.711 -2.357 403 HG21 ILE 49 1HG2 ILE 49 2.984 0.307 -3.579 404 HG22 ILE 49 2HG2 ILE 49 4.459 0.941 -4.311 405 HG23 ILE 49 3HG2 ILE 49 2.891 1.303 -5.036 406 HD11 ILE 49 1HD1 ILE 49 -0.026 3.277 -3.849 407 HD12 ILE 49 2HD1 ILE 49 0.929 2.092 -4.740 408 HD13 ILE 49 3HD1 ILE 49 1.390 3.799 -4.756 409 H ILE 50 H ILE 50 2.291 2.543 -0.178 410 HA ILE 50 HA ILE 50 1.992 -0.337 0.454 411 HB ILE 50 HB ILE 50 1.801 2.004 2.415 412 HG12 ILE 50 2HG1 ILE 50 3.902 -0.212 2.260 413 HG13 ILE 50 3HG1 ILE 50 4.145 1.439 1.701 414 HG21 ILE 50 1HG2 ILE 50 1.520 0.257 4.160 415 HG22 ILE 50 2HG2 ILE 50 1.479 -0.982 2.905 416 HG23 ILE 50 3HG2 ILE 50 0.203 0.235 2.985 417 HD11 ILE 50 1HD1 ILE 50 5.182 1.164 3.808 418 HD12 ILE 50 2HD1 ILE 50 3.702 0.529 4.519 419 HD13 ILE 50 3HD1 ILE 50 3.785 2.220 4.015 420 H VAL 51 H VAL 51 0.033 -0.949 -0.177 421 HA VAL 51 HA VAL 51 -2.150 1.011 -0.529 422 HB VAL 51 HB VAL 51 -1.744 -1.693 -1.903 423 HG11 VAL 51 1HG1 VAL 51 -3.606 -1.001 -3.395 424 HG12 VAL 51 2HG1 VAL 51 -3.841 0.453 -2.420 425 HG13 VAL 51 3HG1 VAL 51 -4.133 -1.139 -1.715 426 HG21 VAL 51 1HG2 VAL 51 -1.327 1.120 -2.983 427 HG22 VAL 51 2HG2 VAL 51 -1.246 -0.361 -3.940 428 HG23 VAL 51 3HG2 VAL 51 -0.067 -0.074 -2.658 429 H LYS 52 H LYS 52 -3.502 0.914 1.181 430 HA LYS 52 HA LYS 52 -4.353 -1.692 2.261 431 HB2 LYS 52 2HB LYS 52 -3.629 -0.127 3.996 432 HB3 LYS 52 3HB LYS 52 -4.689 1.128 3.367 433 HG2 LYS 52 2HG LYS 52 -5.649 0.111 5.387 434 HG3 LYS 52 3HG LYS 52 -6.674 -0.192 3.981 435 HD2 LYS 52 2HD LYS 52 -5.679 -2.476 3.793 436 HD3 LYS 52 3HD LYS 52 -4.730 -2.162 5.252 437 HE2 LYS 52 2HE LYS 52 -6.731 -3.495 5.740 438 HE3 LYS 52 3HE LYS 52 -6.803 -1.931 6.552 439 HZ1 LYS 52 1HZ LYS 52 -8.906 -2.590 5.505 440 HZ2 LYS 52 2HZ LYS 52 -8.162 -2.565 3.992 441 HZ3 LYS 52 3HZ LYS 52 -8.313 -1.136 4.885 442 H THR 53 H THR 53 -5.915 -2.419 0.952 443 HA THR 53 HA THR 53 -8.515 -1.332 1.197 444 HB THR 53 HB THR 53 -7.823 0.185 -0.656 445 HG1 THR 53 HG1 THR 53 -9.805 -0.032 -1.312 446 HG21 THR 53 1HG2 THR 53 -6.122 -1.248 -1.746 447 HG22 THR 53 2HG2 THR 53 -7.319 -0.670 -2.907 448 HG23 THR 53 3HG2 THR 53 -7.394 -2.331 -2.310 449 H GLU 54 H GLU 54 -10.101 -2.743 0.155 450 HA GLU 54 HA GLU 54 -9.151 -5.528 -0.148 451 HB2 GLU 54 2HB GLU 54 -11.908 -4.390 0.486 452 HB3 GLU 54 3HB GLU 54 -11.594 -6.095 0.202 453 HG2 GLU 54 2HG GLU 54 -11.740 -5.732 2.568 454 HG3 GLU 54 3HG GLU 54 -10.068 -6.125 2.164 455 H ASP 55 H ASP 55 -9.959 -2.891 -2.014 456 HA ASP 55 HA ASP 55 -11.530 -4.096 -4.075 457 HB2 ASP 55 2HB ASP 55 -11.463 -1.618 -3.652 458 HB3 ASP 55 3HB ASP 55 -9.786 -1.588 -4.198 459 H LYS 56 H LYS 56 -10.579 -5.959 -4.738 460 HA LYS 56 HA LYS 56 -7.894 -6.577 -5.052 461 HB2 LYS 56 2HB LYS 56 -10.226 -7.783 -6.596 462 HB3 LYS 56 3HB LYS 56 -8.647 -8.534 -6.344 463 HG2 LYS 56 2HG LYS 56 -9.080 -8.592 -3.902 464 HG3 LYS 56 3HG LYS 56 -10.677 -7.886 -4.176 465 HD2 LYS 56 2HD LYS 56 -9.695 -10.578 -5.192 466 HD3 LYS 56 3HD LYS 56 -10.825 -10.306 -3.863 467 HE2 LYS 56 2HE LYS 56 -11.325 -9.622 -6.787 468 HE3 LYS 56 3HE LYS 56 -12.013 -10.980 -5.898 469 HZ1 LYS 56 1HZ LYS 56 -13.556 -9.119 -6.085 470 HZ2 LYS 56 2HZ LYS 56 -12.483 -8.124 -5.241 471 HZ3 LYS 56 3HZ LYS 56 -13.179 -9.455 -4.475 472 H GLU 57 H GLU 57 -10.091 -5.065 -7.314 473 HA GLU 57 HA GLU 57 -8.677 -5.329 -9.724 474 HB2 GLU 57 2HB GLU 57 -10.562 -3.108 -8.826 475 HB3 GLU 57 3HB GLU 57 -10.044 -3.378 -10.493 476 HG2 GLU 57 2HG GLU 57 -11.157 -5.534 -10.553 477 HG3 GLU 57 3HG GLU 57 -11.554 -5.423 -8.837 478 H SER 58 H SER 58 -8.571 -2.707 -7.264 479 HA SER 58 HA SER 58 -6.646 -1.117 -8.662 480 HB2 SER 58 2HB SER 58 -6.451 0.160 -6.536 481 HB3 SER 58 3HB SER 58 -8.127 -0.072 -7.023 482 HG SER 58 HG SER 58 -8.394 -1.555 -5.440 483 H ILE 59 H ILE 59 -6.455 -3.259 -5.818 484 HA ILE 59 HA ILE 59 -3.818 -3.155 -5.103 485 HB ILE 59 HB ILE 59 -5.585 -5.645 -5.221 486 HG12 ILE 59 2HG1 ILE 59 -5.059 -3.759 -2.872 487 HG13 ILE 59 3HG1 ILE 59 -6.519 -3.763 -3.856 488 HG21 ILE 59 1HG2 ILE 59 -3.035 -5.217 -3.630 489 HG22 ILE 59 2HG2 ILE 59 -3.241 -6.315 -4.992 490 HG23 ILE 59 3HG2 ILE 59 -4.106 -6.612 -3.487 491 HD11 ILE 59 1HD1 ILE 59 -6.980 -6.074 -3.117 492 HD12 ILE 59 2HD1 ILE 59 -6.930 -4.910 -1.798 493 HD13 ILE 59 3HD1 ILE 59 -5.564 -5.992 -2.062 494 H SER 60 H SER 60 -5.197 -5.459 -7.434 495 HA SER 60 HA SER 60 -2.934 -6.776 -8.300 496 HB2 SER 60 2HB SER 60 -5.206 -7.542 -8.828 497 HB3 SER 60 3HB SER 60 -5.472 -6.137 -9.859 498 HG SER 60 HG SER 60 -3.224 -7.532 -10.546 499 H GLU 61 H GLU 61 -4.478 -3.869 -9.767 500 HA GLU 61 HA GLU 61 -2.687 -3.643 -11.923 501 HB2 GLU 61 2HB GLU 61 -4.416 -1.488 -10.640 502 HB3 GLU 61 3HB GLU 61 -3.536 -1.288 -12.156 503 HG2 GLU 61 2HG GLU 61 -5.840 -3.168 -11.595 504 HG3 GLU 61 3HG GLU 61 -5.828 -1.779 -12.676 505 H ILE 62 H ILE 62 -2.600 -2.111 -8.681 506 HA ILE 62 HA ILE 62 -0.369 -0.458 -9.067 507 HB ILE 62 HB ILE 62 -1.593 -1.682 -6.581 508 HG12 ILE 62 2HG1 ILE 62 -1.705 0.749 -5.863 509 HG13 ILE 62 3HG1 ILE 62 -0.970 1.200 -7.396 510 HG21 ILE 62 1HG2 ILE 62 0.139 -0.606 -5.128 511 HG22 ILE 62 2HG2 ILE 62 1.101 -0.267 -6.565 512 HG23 ILE 62 3HG2 ILE 62 0.785 -1.936 -6.085 513 HD11 ILE 62 1HD1 ILE 62 -3.662 -0.075 -6.998 514 HD12 ILE 62 2HD1 ILE 62 -2.940 0.317 -8.562 515 HD13 ILE 62 3HD1 ILE 62 -3.331 1.604 -7.420 516 H ILE 63 H ILE 63 -0.515 -3.858 -7.899 517 HA ILE 63 HA ILE 63 2.234 -4.230 -7.443 518 HB ILE 63 HB ILE 63 0.248 -6.382 -8.309 519 HG12 ILE 63 2HG1 ILE 63 1.008 -5.564 -5.463 520 HG13 ILE 63 3HG1 ILE 63 -0.461 -5.039 -6.278 521 HG21 ILE 63 1HG2 ILE 63 1.779 -7.959 -7.142 522 HG22 ILE 63 2HG2 ILE 63 2.899 -6.634 -6.815 523 HG23 ILE 63 3HG2 ILE 63 2.591 -7.143 -8.477 524 HD11 ILE 63 1HD1 ILE 63 -0.918 -6.875 -4.797 525 HD12 ILE 63 2HD1 ILE 63 0.271 -7.883 -5.621 526 HD13 ILE 63 3HD1 ILE 63 -1.189 -7.363 -6.469 527 H LYS 64 H LYS 64 0.272 -4.869 -10.365 528 HA LYS 64 HA LYS 64 2.182 -6.000 -12.061 529 HB2 LYS 64 2HB LYS 64 -0.176 -4.181 -12.731 530 HB3 LYS 64 3HB LYS 64 0.725 -5.110 -13.929 531 HG2 LYS 64 2HG LYS 64 -0.015 -7.213 -12.940 532 HG3 LYS 64 3HG LYS 64 -0.784 -6.356 -11.602 533 HD2 LYS 64 2HD LYS 64 -2.474 -7.067 -13.215 534 HD3 LYS 64 3HD LYS 64 -2.376 -5.304 -13.188 535 HE2 LYS 64 2HE LYS 64 -2.574 -6.081 -15.486 536 HE3 LYS 64 3HE LYS 64 -0.967 -5.393 -15.253 537 HZ1 LYS 64 1HZ LYS 64 -0.710 -7.398 -16.446 538 HZ2 LYS 64 2HZ LYS 64 -1.705 -8.263 -15.393 539 HZ3 LYS 64 3HZ LYS 64 -0.186 -7.732 -14.873 540 H GLN 65 H GLN 65 1.337 -2.623 -11.455 541 HA GLN 65 HA GLN 65 3.123 -1.428 -13.315 542 HB2 GLN 65 2HB GLN 65 1.772 -0.311 -10.831 543 HB3 GLN 65 3HB GLN 65 2.664 0.664 -11.992 544 HG2 GLN 65 2HG GLN 65 0.130 -0.895 -12.551 545 HG3 GLN 65 3HG GLN 65 0.247 0.846 -12.326 546 HE21 GLN 65 1HE2 GLN 65 1.304 2.075 -13.935 547 HE22 GLN 65 2HE2 GLN 65 1.455 1.480 -15.552 548 H VAL 66 H VAL 66 3.411 -2.357 -9.910 549 HA VAL 66 HA VAL 66 5.912 -1.064 -9.411 550 HB VAL 66 HB VAL 66 4.417 -3.243 -7.892 551 HG11 VAL 66 1HG1 VAL 66 6.795 -3.548 -7.395 552 HG12 VAL 66 2HG1 VAL 66 5.990 -2.835 -5.999 553 HG13 VAL 66 3HG1 VAL 66 6.974 -1.825 -7.055 554 HG21 VAL 66 1HG2 VAL 66 3.350 -1.009 -7.891 555 HG22 VAL 66 2HG2 VAL 66 4.838 -0.288 -7.276 556 HG23 VAL 66 3HG2 VAL 66 3.934 -1.429 -6.279 557 H LEU 67 H LEU 67 4.966 -4.216 -10.662 558 HA LEU 67 HA LEU 67 7.514 -5.484 -10.598 559 HB2 LEU 67 2HB LEU 67 5.171 -5.946 -12.496 560 HB3 LEU 67 3HB LEU 67 6.552 -7.020 -12.326 561 HG LEU 67 HG LEU 67 4.519 -6.432 -10.134 562 HD11 LEU 67 1HD1 LEU 67 4.787 -8.914 -11.844 563 HD12 LEU 67 2HD1 LEU 67 3.500 -7.709 -11.941 564 HD13 LEU 67 3HD1 LEU 67 3.674 -8.691 -10.489 565 HD21 LEU 67 1HD2 LEU 67 6.796 -8.437 -10.153 566 HD22 LEU 67 2HD2 LEU 67 5.562 -8.282 -8.898 567 HD23 LEU 67 3HD2 LEU 67 6.699 -6.966 -9.177 568 H ASP 68 H ASP 68 5.844 -3.447 -12.995 569 HA ASP 68 HA ASP 68 7.849 -3.516 -15.019 570 HB2 ASP 68 2HB ASP 68 5.533 -2.905 -15.560 571 HB3 ASP 68 3HB ASP 68 5.612 -1.505 -14.494 572 H SER 69 H SER 69 7.239 -1.347 -12.275 573 HA SER 69 HA SER 69 9.139 0.673 -13.125 574 HB2 SER 69 2HB SER 69 8.474 1.806 -11.010 575 HB3 SER 69 3HB SER 69 7.070 1.337 -11.966 576 HG SER 69 HG SER 69 6.438 0.336 -10.258 577 H GLY 70 H GLY 70 9.175 -2.175 -11.153 578 HA2 GLY 70 2HA GLY 70 10.794 -3.213 -9.906 579 HA3 GLY 70 3HA GLY 70 11.964 -2.073 -10.563 580 H ALA 71 H ALA 71 9.027 -1.525 -8.653 581 HA ALA 71 HA ALA 71 10.537 0.098 -6.693 582 HB1 ALA 71 1HB ALA 71 8.660 1.201 -7.854 583 HB2 ALA 71 2HB ALA 71 8.324 1.052 -6.127 584 HB3 ALA 71 3HB ALA 71 7.550 -0.043 -7.279 585 H LYS 72 H LYS 72 9.148 0.013 -4.437 586 HA LYS 72 HA LYS 72 8.788 -2.820 -3.628 587 HB2 LYS 72 2HB LYS 72 9.293 -0.322 -1.946 588 HB3 LYS 72 3HB LYS 72 8.766 -1.843 -1.246 589 HG2 LYS 72 2HG LYS 72 11.102 -1.723 -0.913 590 HG3 LYS 72 3HG LYS 72 10.834 -2.919 -2.174 591 HD2 LYS 72 2HD LYS 72 12.758 -1.510 -2.725 592 HD3 LYS 72 3HD LYS 72 11.455 -1.234 -3.888 593 HE2 LYS 72 2HE LYS 72 10.827 0.831 -2.724 594 HE3 LYS 72 3HE LYS 72 12.060 0.534 -1.497 595 HZ1 LYS 72 1HZ LYS 72 13.733 0.683 -3.240 596 HZ2 LYS 72 2HZ LYS 72 12.845 2.104 -3.081 597 HZ3 LYS 72 3HZ LYS 72 12.535 1.061 -4.371 598 H VAL 73 H VAL 73 6.825 -3.462 -2.728 599 HA VAL 73 HA VAL 73 4.726 -1.481 -2.243 600 HB VAL 73 HB VAL 73 4.348 -2.069 -4.575 601 HG11 VAL 73 1HG1 VAL 73 3.786 -4.365 -5.306 602 HG12 VAL 73 2HG1 VAL 73 4.196 -4.963 -3.698 603 HG13 VAL 73 3HG1 VAL 73 5.442 -4.232 -4.706 604 HG21 VAL 73 1HG2 VAL 73 1.994 -2.821 -4.461 605 HG22 VAL 73 2HG2 VAL 73 2.359 -1.627 -3.215 606 HG23 VAL 73 3HG2 VAL 73 2.235 -3.334 -2.786 607 H LEU 74 H LEU 74 3.464 -1.972 -0.572 608 HA LEU 74 HA LEU 74 3.422 -4.714 0.549 609 HB2 LEU 74 2HB LEU 74 4.420 -3.130 2.123 610 HB3 LEU 74 3HB LEU 74 3.074 -2.025 1.936 611 HG LEU 74 HG LEU 74 1.565 -3.601 3.084 612 HD11 LEU 74 1HD1 LEU 74 3.950 -5.448 3.332 613 HD12 LEU 74 2HD1 LEU 74 2.499 -5.718 2.360 614 HD13 LEU 74 3HD1 LEU 74 2.380 -5.668 4.117 615 HD21 LEU 74 1HD2 LEU 74 2.523 -3.502 5.342 616 HD22 LEU 74 2HD2 LEU 74 2.788 -1.997 4.466 617 HD23 LEU 74 3HD2 LEU 74 4.117 -3.143 4.663 618 H ILE 75 H ILE 75 1.455 -5.661 0.637 619 HA ILE 75 HA ILE 75 -0.939 -4.093 -0.086 620 HB ILE 75 HB ILE 75 -0.369 -7.058 -0.521 621 HG12 ILE 75 2HG1 ILE 75 0.816 -5.710 -2.159 622 HG13 ILE 75 3HG1 ILE 75 -0.562 -6.448 -2.964 623 HG21 ILE 75 1HG2 ILE 75 -2.568 -7.163 -1.661 624 HG22 ILE 75 2HG2 ILE 75 -2.896 -5.495 -1.183 625 HG23 ILE 75 3HG2 ILE 75 -2.738 -6.753 0.046 626 HD11 ILE 75 1HD1 ILE 75 -0.293 -4.198 -3.717 627 HD12 ILE 75 2HD1 ILE 75 -0.298 -3.581 -2.068 628 HD13 ILE 75 3HD1 ILE 75 -1.768 -4.278 -2.752 629 H LEU 76 H LEU 76 -2.182 -3.725 1.550 630 HA LEU 76 HA LEU 76 -2.481 -5.648 3.767 631 HB2 LEU 76 2HB LEU 76 -2.810 -2.611 3.758 632 HB3 LEU 76 3HB LEU 76 -3.097 -3.656 5.142 633 HG LEU 76 HG LEU 76 -0.393 -3.238 3.799 634 HD11 LEU 76 1HD1 LEU 76 -1.121 -1.219 4.974 635 HD12 LEU 76 2HD1 LEU 76 0.236 -1.979 5.800 636 HD13 LEU 76 3HD1 LEU 76 -1.398 -2.153 6.448 637 HD21 LEU 76 1HD2 LEU 76 -1.111 -4.787 6.309 638 HD22 LEU 76 2HD2 LEU 76 0.525 -4.475 5.720 639 HD23 LEU 76 3HD2 LEU 76 -0.576 -5.467 4.769 640 H SER 77 H SER 77 -4.432 -6.544 3.861 641 HA SER 77 HA SER 77 -6.862 -5.087 3.101 642 HB2 SER 77 2HB SER 77 -6.371 -7.937 2.091 643 HB3 SER 77 3HB SER 77 -7.738 -6.886 1.715 644 HG SER 77 HG SER 77 -5.939 -5.466 0.821 645 H SER 78 H SER 78 -8.633 -5.743 4.345 646 HA SER 78 HA SER 78 -8.109 -7.018 6.836 647 HB2 SER 78 2HB SER 78 -10.602 -6.772 7.167 648 HB3 SER 78 3HB SER 78 -9.795 -5.271 6.704 649 HG SER 78 HG SER 78 -11.359 -6.991 5.092 650 H ASP 79 H ASP 79 -9.662 -8.042 3.826 651 HA ASP 79 HA ASP 79 -10.678 -10.530 4.849 652 HB2 ASP 79 2HB ASP 79 -10.463 -9.395 2.030 653 HB3 ASP 79 3HB ASP 79 -11.204 -10.954 2.393 654 H GLU 80 H GLU 80 -9.523 -12.262 5.191 655 HA GLU 80 HA GLU 80 -6.847 -12.701 4.414 656 HB2 GLU 80 2HB GLU 80 -7.531 -15.205 5.175 657 HB3 GLU 80 3HB GLU 80 -7.241 -13.917 6.323 658 HG2 GLU 80 2HG GLU 80 -9.215 -15.277 6.895 659 HG3 GLU 80 3HG GLU 80 -9.615 -13.580 6.654 660 H ASN 81 H ASN 81 -9.879 -13.562 2.809 661 HA ASN 81 HA ASN 81 -8.926 -15.525 1.003 662 HB2 ASN 81 2HB ASN 81 -11.283 -13.601 0.959 663 HB3 ASN 81 3HB ASN 81 -10.912 -14.552 -0.474 664 HD21 ASN 81 1HD2 ASN 81 -12.039 -14.715 2.844 665 HD22 ASN 81 2HD2 ASN 81 -12.655 -16.323 2.739 666 H ILE 82 H ILE 82 -9.015 -12.005 0.916 667 HA ILE 82 HA ILE 82 -8.131 -11.719 -1.789 668 HB ILE 82 HB ILE 82 -8.314 -9.685 0.484 669 HG12 ILE 82 2HG1 ILE 82 -10.164 -10.246 -1.887 670 HG13 ILE 82 3HG1 ILE 82 -10.482 -10.696 -0.216 671 HG21 ILE 82 1HG2 ILE 82 -6.667 -8.897 -1.181 672 HG22 ILE 82 2HG2 ILE 82 -8.133 -7.917 -1.249 673 HG23 ILE 82 3HG2 ILE 82 -7.838 -9.150 -2.477 674 HD11 ILE 82 1HD1 ILE 82 -10.590 -8.328 0.386 675 HD12 ILE 82 2HD1 ILE 82 -11.763 -8.763 -0.853 676 HD13 ILE 82 3HD1 ILE 82 -10.299 -7.891 -1.300 677 H ILE 83 H ILE 83 -6.514 -11.432 1.422 678 HA ILE 83 HA ILE 83 -3.935 -10.791 0.473 679 HB ILE 83 HB ILE 83 -4.740 -12.292 3.013 680 HG12 ILE 83 2HG1 ILE 83 -5.609 -9.946 2.822 681 HG13 ILE 83 3HG1 ILE 83 -4.457 -10.112 4.143 682 HG21 ILE 83 1HG2 ILE 83 -2.387 -12.809 2.519 683 HG22 ILE 83 2HG2 ILE 83 -2.489 -11.732 3.912 684 HG23 ILE 83 3HG2 ILE 83 -2.019 -11.091 2.335 685 HD11 ILE 83 1HD1 ILE 83 -3.859 -8.928 1.425 686 HD12 ILE 83 2HD1 ILE 83 -2.719 -9.067 2.770 687 HD13 ILE 83 3HD1 ILE 83 -4.142 -8.041 2.921 688 H GLU 84 H GLU 84 -5.469 -13.964 1.010 689 HA GLU 84 HA GLU 84 -3.311 -15.631 0.335 690 HB2 GLU 84 2HB GLU 84 -5.570 -16.228 1.432 691 HB3 GLU 84 3HB GLU 84 -6.237 -16.301 -0.193 692 HG2 GLU 84 2HG GLU 84 -3.888 -17.992 0.737 693 HG3 GLU 84 3HG GLU 84 -5.561 -18.514 0.886 694 H SER 85 H SER 85 -5.926 -14.291 -1.691 695 HA SER 85 HA SER 85 -5.200 -15.377 -4.139 696 HB2 SER 85 2HB SER 85 -6.557 -12.716 -3.572 697 HB3 SER 85 3HB SER 85 -6.511 -13.514 -5.149 698 HG SER 85 HG SER 85 -8.114 -13.987 -3.013 699 H ILE 86 H ILE 86 -4.143 -12.328 -2.638 700 HA ILE 86 HA ILE 86 -2.639 -11.428 -4.875 701 HB ILE 86 HB ILE 86 -2.544 -10.572 -1.949 702 HG12 ILE 86 2HG1 ILE 86 -4.724 -10.094 -2.899 703 HG13 ILE 86 3HG1 ILE 86 -3.855 -8.570 -2.829 704 HG21 ILE 86 1HG2 ILE 86 -0.427 -9.958 -3.006 705 HG22 ILE 86 2HG2 ILE 86 -1.402 -8.512 -2.734 706 HG23 ILE 86 3HG2 ILE 86 -1.287 -9.209 -4.353 707 HD11 ILE 86 1HD1 ILE 86 -3.370 -8.785 -5.252 708 HD12 ILE 86 2HD1 ILE 86 -5.091 -8.733 -4.879 709 HD13 ILE 86 3HD1 ILE 86 -4.330 -10.269 -5.281 710 H ARG 87 H ARG 87 -1.853 -13.417 -2.061 711 HA ARG 87 HA ARG 87 0.968 -13.451 -2.439 712 HB2 ARG 87 2HB ARG 87 -0.945 -15.236 -0.905 713 HB3 ARG 87 3HB ARG 87 0.777 -15.609 -0.990 714 HG2 ARG 87 2HG ARG 87 1.318 -13.444 0.040 715 HG3 ARG 87 3HG ARG 87 -0.397 -13.027 0.106 716 HD2 ARG 87 2HD ARG 87 0.754 -15.469 1.494 717 HD3 ARG 87 3HD ARG 87 0.665 -13.890 2.271 718 HE ARG 87 HE ARG 87 -1.832 -14.065 1.759 719 HH11 ARG 87 1HH1 ARG 87 0.120 -16.932 2.393 720 HH12 ARG 87 2HH1 ARG 87 -1.203 -17.837 3.053 721 HH21 ARG 87 1HH2 ARG 87 -3.517 -15.205 2.787 722 HH22 ARG 87 2HH2 ARG 87 -3.266 -16.847 3.278 723 H LYS 88 H LYS 88 -1.652 -15.553 -3.687 724 HA LYS 88 HA LYS 88 0.250 -17.476 -4.763 725 HB2 LYS 88 2HB LYS 88 -1.669 -18.773 -5.497 726 HB3 LYS 88 3HB LYS 88 -1.901 -18.246 -3.835 727 HG2 LYS 88 2HG LYS 88 -3.399 -16.419 -4.684 728 HG3 LYS 88 3HG LYS 88 -3.255 -17.112 -6.306 729 HD2 LYS 88 2HD LYS 88 -4.237 -19.237 -5.485 730 HD3 LYS 88 3HD LYS 88 -4.348 -18.565 -3.857 731 HE2 LYS 88 2HE LYS 88 -5.874 -16.774 -4.855 732 HE3 LYS 88 3HE LYS 88 -5.911 -17.753 -6.318 733 HZ1 LYS 88 1HZ LYS 88 -6.747 -19.595 -4.946 734 HZ2 LYS 88 2HZ LYS 88 -7.788 -18.267 -4.967 735 HZ3 LYS 88 3HZ LYS 88 -6.820 -18.558 -3.611 736 H GLN 89 H GLN 89 -1.758 -14.853 -6.066 737 HA GLN 89 HA GLN 89 -1.082 -15.343 -8.817 738 HB2 GLN 89 2HB GLN 89 -2.144 -12.793 -7.505 739 HB3 GLN 89 3HB GLN 89 -2.102 -13.114 -9.239 740 HG2 GLN 89 2HG GLN 89 -3.707 -14.950 -8.957 741 HG3 GLN 89 3HG GLN 89 -3.714 -14.698 -7.214 742 HE21 GLN 89 1HE2 GLN 89 -4.670 -12.748 -6.397 743 HE22 GLN 89 2HE2 GLN 89 -5.851 -11.887 -7.314 744 H TYR 90 H TYR 90 0.204 -13.386 -6.187 745 HA TYR 90 HA TYR 90 2.598 -12.660 -7.778 746 HB2 TYR 90 2HB TYR 90 1.181 -10.785 -5.824 747 HB3 TYR 90 3HB TYR 90 2.579 -10.405 -6.820 748 HD1 TYR 90 HD1 TYR 90 2.281 -10.230 -9.351 749 HD2 TYR 90 HD2 TYR 90 -1.052 -10.506 -6.675 750 HE1 TYR 90 HE1 TYR 90 0.792 -9.369 -11.103 751 HE2 TYR 90 HE2 TYR 90 -2.539 -9.650 -8.436 752 HH TYR 90 HH TYR 90 -1.569 -9.417 -11.698 753 HA PRO 91 HA PRO 91 3.986 -14.571 -3.766 754 HB2 PRO 91 2HB PRO 91 6.249 -15.779 -4.731 755 HB3 PRO 91 3HB PRO 91 4.632 -16.488 -4.944 756 HG2 PRO 91 2HG PRO 91 6.253 -14.881 -6.907 757 HG3 PRO 91 3HG PRO 91 5.336 -16.385 -7.169 758 HD2 PRO 91 2HD PRO 91 4.332 -13.930 -7.836 759 HD3 PRO 91 3HD PRO 91 3.294 -15.279 -7.326 760 H LYS 92 H LYS 92 5.648 -12.467 -6.050 761 HA LYS 92 HA LYS 92 7.936 -11.970 -4.325 762 HB2 LYS 92 2HB LYS 92 7.238 -10.686 -7.000 763 HB3 LYS 92 3HB LYS 92 8.816 -10.714 -6.220 764 HG2 LYS 92 2HG LYS 92 7.347 -13.157 -7.283 765 HG3 LYS 92 3HG LYS 92 8.631 -12.296 -8.134 766 HD2 LYS 92 2HD LYS 92 8.944 -13.711 -5.454 767 HD3 LYS 92 3HD LYS 92 9.420 -14.377 -7.018 768 HE2 LYS 92 2HE LYS 92 10.579 -11.884 -5.723 769 HE3 LYS 92 3HE LYS 92 11.358 -13.461 -5.826 770 HZ1 LYS 92 1HZ LYS 92 10.609 -11.776 -8.153 771 HZ2 LYS 92 2HZ LYS 92 11.416 -13.256 -8.214 772 HZ3 LYS 92 3HZ LYS 92 12.164 -11.919 -7.506 773 H VAL 93 H VAL 93 4.862 -10.737 -4.253 774 HA VAL 93 HA VAL 93 5.596 -7.960 -3.606 775 HB VAL 93 HB VAL 93 3.523 -8.335 -4.929 776 HG11 VAL 93 1HG1 VAL 93 2.855 -10.521 -4.023 777 HG12 VAL 93 2HG1 VAL 93 1.521 -9.371 -3.966 778 HG13 VAL 93 3HG1 VAL 93 2.414 -9.767 -2.491 779 HG21 VAL 93 1HG2 VAL 93 1.983 -6.915 -3.660 780 HG22 VAL 93 2HG2 VAL 93 3.641 -6.357 -3.448 781 HG23 VAL 93 3HG2 VAL 93 2.857 -7.266 -2.163 782 H GLU 94 H GLU 94 5.406 -7.077 -1.465 783 HA GLU 94 HA GLU 94 5.356 -8.919 0.765 784 HB2 GLU 94 2HB GLU 94 5.447 -5.874 0.658 785 HB3 GLU 94 3HB GLU 94 5.455 -6.797 2.163 786 HG2 GLU 94 2HG GLU 94 7.567 -6.835 -0.017 787 HG3 GLU 94 3HG GLU 94 7.719 -6.144 1.603 788 H THR 95 H THR 95 3.654 -9.318 2.111 789 HA THR 95 HA THR 95 1.079 -7.961 1.727 790 HB THR 95 HB THR 95 -0.006 -10.335 1.713 791 HG1 THR 95 HG1 THR 95 1.965 -11.546 0.366 792 HG21 THR 95 1HG2 THR 95 0.156 -10.582 -0.731 793 HG22 THR 95 2HG2 THR 95 1.548 -9.497 -0.763 794 HG23 THR 95 3HG2 THR 95 -0.039 -8.882 -0.293 795 H ARG 96 H ARG 96 -0.229 -8.053 3.507 796 HA ARG 96 HA ARG 96 0.175 -9.905 5.678 797 HB2 ARG 96 2HB ARG 96 1.805 -8.166 6.363 798 HB3 ARG 96 3HB ARG 96 0.589 -6.909 6.152 799 HG2 ARG 96 2HG ARG 96 -0.771 -8.269 7.942 800 HG3 ARG 96 3HG ARG 96 0.781 -9.015 8.311 801 HD2 ARG 96 2HD ARG 96 1.688 -6.991 9.112 802 HD3 ARG 96 3HD ARG 96 0.455 -6.008 8.306 803 HE ARG 96 HE ARG 96 -1.014 -7.521 9.998 804 HH11 ARG 96 1HH1 ARG 96 1.799 -5.473 10.564 805 HH12 ARG 96 2HH1 ARG 96 1.329 -5.097 12.192 806 HH21 ARG 96 1HH2 ARG 96 -1.620 -6.998 12.102 807 HH22 ARG 96 2HH2 ARG 96 -0.608 -5.962 13.058 808 H ARG 97 H ARG 97 -1.741 -10.229 6.732 809 HA ARG 97 HA ARG 97 -4.190 -9.006 5.901 810 HB2 ARG 97 2HB ARG 97 -4.031 -11.352 6.796 811 HB3 ARG 97 3HB ARG 97 -3.599 -10.699 8.371 812 HG2 ARG 97 2HG ARG 97 -5.990 -9.390 7.880 813 HG3 ARG 97 3HG ARG 97 -6.266 -10.932 7.069 814 HD2 ARG 97 2HD ARG 97 -7.087 -11.176 9.293 815 HD3 ARG 97 3HD ARG 97 -5.556 -12.057 9.244 816 HE ARG 97 HE ARG 97 -4.925 -9.497 10.103 817 HH11 ARG 97 1HH1 ARG 97 -6.927 -12.149 11.317 818 HH12 ARG 97 2HH1 ARG 97 -6.730 -11.686 12.975 819 HH21 ARG 97 1HH2 ARG 97 -4.789 -8.862 12.280 820 HH22 ARG 97 2HH2 ARG 97 -5.521 -9.827 13.519 821 H ALA 98 H ALA 98 -5.054 -7.139 6.670 822 HA ALA 98 HA ALA 98 -4.350 -6.112 9.337 823 HB1 ALA 98 1HB ALA 98 -2.818 -4.960 7.778 824 HB2 ALA 98 2HB ALA 98 -4.002 -3.828 8.435 825 HB3 ALA 98 3HB ALA 98 -4.182 -4.443 6.787 826 H GLN 99 H GLN 99 -6.297 -6.289 10.213 827 HA GLN 99 HA GLN 99 -8.764 -5.696 8.715 828 HB2 GLN 99 2HB GLN 99 -8.411 -7.003 11.452 829 HB3 GLN 99 3HB GLN 99 -9.933 -6.840 10.574 830 HG2 GLN 99 2HG GLN 99 -9.093 -8.317 8.809 831 HG3 GLN 99 3HG GLN 99 -7.539 -8.447 9.628 832 HE21 GLN 99 1HE2 GLN 99 -8.711 -8.673 12.305 833 HE22 GLN 99 2HE2 GLN 99 -9.399 -10.251 12.397 834 H ASP 100 H ASP 100 -7.078 -4.848 11.717 835 HA ASP 100 HA ASP 100 -8.893 -2.594 12.204 836 HB2 ASP 100 2HB ASP 100 -7.886 -4.193 14.032 837 HB3 ASP 100 3HB ASP 100 -6.415 -3.249 13.849 838 H LYS 101 H LYS 101 -8.168 -0.449 12.239 839 HA LYS 101 HA LYS 101 -6.348 0.378 10.243 840 HB2 LYS 101 2HB LYS 101 -6.734 2.708 11.313 841 HB3 LYS 101 3HB LYS 101 -8.111 1.870 10.627 842 HG2 LYS 101 2HG LYS 101 -8.926 2.802 12.613 843 HG3 LYS 101 3HG LYS 101 -8.670 1.104 13.006 844 HD2 LYS 101 2HD LYS 101 -6.616 1.645 14.206 845 HD3 LYS 101 3HD LYS 101 -6.714 3.330 13.686 846 HE2 LYS 101 2HE LYS 101 -8.855 3.548 14.953 847 HE3 LYS 101 3HE LYS 101 -8.631 1.897 15.548 848 HZ1 LYS 101 1HZ LYS 101 -6.712 4.123 15.980 849 HZ2 LYS 101 2HZ LYS 101 -6.633 2.568 16.651 850 HZ3 LYS 101 3HZ LYS 101 -7.873 3.625 17.103 851 H GLU 102 H GLU 102 -5.900 -0.273 13.636 852 HA GLU 102 HA GLU 102 -3.420 1.071 14.020 853 HB2 GLU 102 2HB GLU 102 -3.135 -0.240 16.042 854 HB3 GLU 102 3HB GLU 102 -4.805 0.296 15.938 855 HG2 GLU 102 2HG GLU 102 -5.528 -1.923 15.271 856 HG3 GLU 102 3HG GLU 102 -3.862 -2.490 15.195 857 H GLU 103 H GLU 103 -4.276 -2.262 12.998 858 HA GLU 103 HA GLU 103 -1.726 -3.376 12.760 859 HB2 GLU 103 2HB GLU 103 -4.171 -3.923 11.024 860 HB3 GLU 103 3HB GLU 103 -2.715 -4.920 11.063 861 HG2 GLU 103 2HG GLU 103 -3.172 -5.318 13.516 862 HG3 GLU 103 3HG GLU 103 -4.740 -4.525 13.281 863 H VAL 104 H VAL 104 -3.547 -1.301 10.590 864 HA VAL 104 HA VAL 104 -1.962 -1.610 8.269 865 HB VAL 104 HB VAL 104 -3.646 0.828 9.005 866 HG11 VAL 104 1HG1 VAL 104 -2.721 -0.216 6.299 867 HG12 VAL 104 2HG1 VAL 104 -2.115 1.224 7.117 868 HG13 VAL 104 3HG1 VAL 104 -3.781 1.168 6.552 869 HG21 VAL 104 1HG2 VAL 104 -4.508 -1.711 7.559 870 HG22 VAL 104 2HG2 VAL 104 -5.500 -0.264 7.769 871 HG23 VAL 104 3HG2 VAL 104 -5.013 -1.211 9.178 872 H LYS 105 H LYS 105 -2.078 1.075 10.698 873 HA LYS 105 HA LYS 105 0.067 2.508 9.496 874 HB2 LYS 105 2HB LYS 105 0.042 3.956 11.473 875 HB3 LYS 105 3HB LYS 105 -1.585 3.664 10.876 876 HG2 LYS 105 2HG LYS 105 -1.958 2.023 12.691 877 HG3 LYS 105 3HG LYS 105 -0.325 2.335 13.301 878 HD2 LYS 105 2HD LYS 105 -0.934 4.716 13.684 879 HD3 LYS 105 3HD LYS 105 -2.562 4.394 13.087 880 HE2 LYS 105 2HE LYS 105 -2.894 2.782 14.958 881 HE3 LYS 105 3HE LYS 105 -1.293 3.210 15.575 882 HZ1 LYS 105 1HZ LYS 105 -2.991 4.451 16.720 883 HZ2 LYS 105 2HZ LYS 105 -3.600 5.046 15.261 884 HZ3 LYS 105 3HZ LYS 105 -2.066 5.511 15.778 885 H ASP 106 H ASP 106 -0.000 0.127 12.156 886 HA ASP 106 HA ASP 106 2.683 0.150 12.852 887 HB2 ASP 106 2HB ASP 106 0.838 -2.268 12.701 888 HB3 ASP 106 3HB ASP 106 2.407 -2.248 13.508 889 H ALA 107 H ALA 107 1.088 -1.824 10.312 890 HA ALA 107 HA ALA 107 3.394 -3.208 9.458 891 HB1 ALA 107 1HB ALA 107 2.050 -3.883 7.510 892 HB2 ALA 107 2HB ALA 107 0.839 -2.659 7.908 893 HB3 ALA 107 3HB ALA 107 1.112 -4.014 9.004 894 H VAL 108 H VAL 108 2.018 -0.111 8.516 895 HA VAL 108 HA VAL 108 3.562 0.455 6.242 896 HB VAL 108 HB VAL 108 2.300 2.324 8.304 897 HG11 VAL 108 1HG1 VAL 108 3.560 3.116 5.647 898 HG12 VAL 108 2HG1 VAL 108 4.182 3.521 7.245 899 HG13 VAL 108 3HG1 VAL 108 2.643 4.189 6.708 900 HG21 VAL 108 1HG2 VAL 108 0.695 1.008 6.959 901 HG22 VAL 108 2HG2 VAL 108 1.429 1.611 5.475 902 HG23 VAL 108 3HG2 VAL 108 0.591 2.724 6.559 903 H GLU 109 H GLU 109 4.040 1.363 9.657 904 HA GLU 109 HA GLU 109 6.512 2.676 9.273 905 HB2 GLU 109 2HB GLU 109 5.008 3.074 11.225 906 HB3 GLU 109 3HB GLU 109 5.404 1.468 11.840 907 HG2 GLU 109 2HG GLU 109 7.743 2.108 12.123 908 HG3 GLU 109 3HG GLU 109 7.437 3.679 11.385 909 H GLU 110 H GLU 110 5.704 -0.675 10.109 910 HA GLU 110 HA GLU 110 8.308 -1.628 10.662 911 HB2 GLU 110 2HB GLU 110 5.854 -3.107 9.619 912 HB3 GLU 110 3HB GLU 110 7.324 -3.900 10.178 913 HG2 GLU 110 2HG GLU 110 5.459 -2.201 11.860 914 HG3 GLU 110 3HG GLU 110 5.555 -3.960 11.872 915 H PHE 111 H PHE 111 6.423 -1.293 7.672 916 HA PHE 111 HA PHE 111 8.117 -2.701 5.900 917 HB2 PHE 111 2HB PHE 111 5.736 -2.044 5.419 918 HB3 PHE 111 3HB PHE 111 6.254 -0.376 5.256 919 HD1 PHE 111 HD1 PHE 111 6.618 -3.780 3.758 920 HD2 PHE 111 HD2 PHE 111 7.077 0.430 3.131 921 HE1 PHE 111 HE1 PHE 111 6.954 -4.159 1.352 922 HE2 PHE 111 HE2 PHE 111 7.416 0.031 0.731 923 HZ PHE 111 HZ PHE 111 7.349 -2.260 -0.157 924 H LEU 112 H LEU 112 8.042 0.594 7.074 925 HA LEU 112 HA LEU 112 10.078 1.667 5.367 926 HB2 LEU 112 2HB LEU 112 9.039 2.683 8.047 927 HB3 LEU 112 3HB LEU 112 9.983 3.619 6.891 928 HG LEU 112 HG LEU 112 7.199 2.500 6.364 929 HD11 LEU 112 1HD1 LEU 112 7.102 4.274 8.026 930 HD12 LEU 112 2HD1 LEU 112 6.370 4.776 6.504 931 HD13 LEU 112 3HD1 LEU 112 7.979 5.361 6.943 932 HD21 LEU 112 1HD2 LEU 112 8.883 4.355 4.661 933 HD22 LEU 112 2HD2 LEU 112 7.219 3.859 4.332 934 HD23 LEU 112 3HD2 LEU 112 8.510 2.663 4.317 935 H LYS 113 H LYS 113 10.063 0.319 8.689 936 HA LYS 113 HA LYS 113 12.721 0.818 9.416 937 HB2 LYS 113 2HB LYS 113 10.837 -1.424 10.244 938 HB3 LYS 113 3HB LYS 113 12.388 -1.122 11.027 939 HG2 LYS 113 2HG LYS 113 11.624 1.094 11.746 940 HG3 LYS 113 3HG LYS 113 10.083 0.853 10.913 941 HD2 LYS 113 2HD LYS 113 9.589 -1.077 12.399 942 HD3 LYS 113 3HD LYS 113 11.126 -0.827 13.232 943 HE2 LYS 113 2HE LYS 113 10.342 1.406 13.966 944 HE3 LYS 113 3HE LYS 113 8.806 1.125 13.145 945 HZ1 LYS 113 1HZ LYS 113 8.578 0.636 15.458 946 HZ2 LYS 113 2HZ LYS 113 9.891 -0.429 15.423 947 HZ3 LYS 113 3HZ LYS 113 8.473 -0.808 14.588 948 H GLU 114 H GLU 114 11.322 -1.938 7.650 949 HA GLU 114 HA GLU 114 13.829 -3.416 7.591 950 HB2 GLU 114 2HB GLU 114 11.203 -3.991 6.177 951 HB3 GLU 114 3HB GLU 114 12.545 -5.115 6.362 952 HG2 GLU 114 2HG GLU 114 10.822 -3.996 8.600 953 HG3 GLU 114 3HG GLU 114 10.704 -5.615 7.914 954 H GLY 115 H GLY 115 13.066 -0.726 5.981 955 HA2 GLY 115 2HA GLY 115 14.016 0.316 4.183 956 HA3 GLY 115 3HA GLY 115 15.040 -1.097 3.954 957 H GLY 116 H GLY 116 11.505 -0.720 3.878 958 HA2 GLY 116 2HA GLY 116 10.024 -0.746 2.095 959 HA3 GLY 116 3HA GLY 116 11.360 -1.016 0.986 960 H SER 117 H SER 117 10.537 -2.933 3.858 961 HA SER 117 HA SER 117 9.314 -5.084 2.335 962 HB2 SER 117 2HB SER 117 11.999 -5.540 3.740 963 HB3 SER 117 3HB SER 117 10.983 -6.812 3.063 964 HG SER 117 HG SER 117 11.245 -5.344 1.052 965 H LEU 118 H LEU 118 8.674 -6.885 3.817 966 HA LEU 118 HA LEU 118 8.600 -6.189 6.703 967 HB2 LEU 118 2HB LEU 118 6.524 -7.641 5.003 968 HB3 LEU 118 3HB LEU 118 6.570 -7.808 6.751 969 HG LEU 118 HG LEU 118 5.937 -5.290 5.166 970 HD11 LEU 118 1HD1 LEU 118 4.092 -6.883 5.358 971 HD12 LEU 118 2HD1 LEU 118 3.770 -5.440 6.316 972 HD13 LEU 118 3HD1 LEU 118 4.281 -6.931 7.115 973 HD21 LEU 118 1HD2 LEU 118 5.628 -4.154 7.341 974 HD22 LEU 118 2HD2 LEU 118 7.304 -4.620 7.068 975 HD23 LEU 118 3HD2 LEU 118 6.299 -5.565 8.170 976 H GLU 119 H GLU 119 8.267 -8.297 7.971 977 HA GLU 119 HA GLU 119 9.824 -10.538 6.843 978 HB2 GLU 119 2HB GLU 119 9.878 -11.369 9.241 979 HB3 GLU 119 3HB GLU 119 10.776 -9.885 8.953 980 HG2 GLU 119 2HG GLU 119 9.131 -8.551 10.051 981 HG3 GLU 119 3HG GLU 119 7.959 -9.868 10.062 982 H HIS 120 H HIS 120 8.345 -11.652 5.639 983 HA HIS 120 HA HIS 120 5.725 -12.393 6.485 984 HB2 HIS 120 2HB HIS 120 7.620 -13.581 4.420 985 HB3 HIS 120 3HB HIS 120 6.094 -14.365 4.795 986 HD1 HIS 120 HD1 HIS 120 7.541 -11.783 2.680 987 HD2 HIS 120 HD2 HIS 120 3.780 -12.671 4.201 988 HE1 HIS 120 HE1 HIS 120 5.919 -10.568 1.213 989 HE2 HIS 120 HE2 HIS 120 3.654 -11.298 2.029 990 H HIS 121 H HIS 121 5.084 -14.045 7.783 991 HA HIS 121 HA HIS 121 7.114 -15.316 9.458 992 HB2 HIS 121 2HB HIS 121 4.075 -15.327 9.705 993 HB3 HIS 121 3HB HIS 121 5.214 -15.894 10.926 994 HD1 HIS 121 HD1 HIS 121 3.073 -13.321 10.880 995 HD2 HIS 121 HD2 HIS 121 7.235 -13.273 10.951 996 HE1 HIS 121 HE1 HIS 121 3.716 -11.068 11.787 997 HE2 HIS 121 HE2 HIS 121 6.232 -11.064 11.808 998 H HIS 122 H HIS 122 7.370 -16.257 7.026 999 HA HIS 122 HA HIS 122 6.683 -19.103 7.244 1000 HB2 HIS 122 2HB HIS 122 6.539 -17.400 4.704 1001 HB3 HIS 122 3HB HIS 122 6.540 -19.159 4.698 1002 HD1 HIS 122 HD1 HIS 122 4.239 -16.721 4.106 1003 HD2 HIS 122 HD2 HIS 122 4.234 -19.881 6.789 1004 HE1 HIS 122 HE1 HIS 122 1.829 -17.161 4.613 1005 HE2 HIS 122 HE2 HIS 122 1.852 -19.179 6.117 1006 H HIS 123 H HIS 123 8.932 -17.614 8.168 1007 HA HIS 123 HA HIS 123 11.220 -17.818 6.509 1008 HB2 HIS 123 2HB HIS 123 11.239 -16.450 8.558 1009 HB3 HIS 123 3HB HIS 123 10.968 -17.871 9.556 1010 HD1 HIS 123 HD1 HIS 123 12.977 -19.348 10.094 1011 HD2 HIS 123 HD2 HIS 123 13.923 -16.143 7.628 1012 HE1 HIS 123 HE1 HIS 123 15.482 -19.235 10.074 1013 HE2 HIS 123 HE2 HIS 123 16.024 -17.349 8.494 1014 H HIS 124 H HIS 124 11.185 -19.753 5.452 1015 HA HIS 124 HA HIS 124 10.816 -22.292 6.902 1016 HB2 HIS 124 2HB HIS 124 9.365 -21.551 4.907 1017 HB3 HIS 124 3HB HIS 124 10.767 -21.830 3.886 1018 HD1 HIS 124 HD1 HIS 124 11.136 -24.192 3.109 1019 HD2 HIS 124 HD2 HIS 124 8.289 -23.947 6.122 1020 HE1 HIS 124 HE1 HIS 124 10.116 -26.475 3.255 1021 HE2 HIS 124 HE2 HIS 124 8.236 -26.217 4.904 1022 H HIS 125 H HIS 125 13.349 -20.431 6.034 1023 HA HIS 125 HA HIS 125 15.230 -22.628 6.196 1024 HB2 HIS 125 2HB HIS 125 14.922 -22.431 3.741 1025 HB3 HIS 125 3HB HIS 125 15.292 -20.711 3.815 1026 HD1 HIS 125 HD1 HIS 125 16.987 -24.016 4.646 1027 HD2 HIS 125 HD2 HIS 125 17.948 -20.185 3.352 1028 HE1 HIS 125 HE1 HIS 125 19.456 -24.049 4.220 1029 HE2 HIS 125 HE2 HIS 125 19.957 -21.799 3.217 Start of MODEL 13 1 H1 MET 1 1H MET 1 15.782 6.973 -4.321 2 H2 MET 1 2H MET 1 16.460 8.487 -4.632 3 H3 MET 1 3H MET 1 14.829 8.203 -4.966 4 HA MET 1 HA MET 1 16.040 8.129 -2.272 5 HB2 MET 1 2HB MET 1 14.300 10.277 -3.564 6 HB3 MET 1 3HB MET 1 14.738 10.234 -1.857 7 HG2 MET 1 2HG MET 1 16.141 11.822 -3.039 8 HG3 MET 1 3HG MET 1 17.118 10.469 -2.466 9 HE1 MET 1 1HE MET 1 19.100 11.279 -4.128 10 HE2 MET 1 2HE MET 1 18.093 12.596 -4.731 11 HE3 MET 1 3HE MET 1 18.876 11.495 -5.864 12 H GLY 2 H GLY 2 14.468 7.858 -0.575 13 HA2 GLY 2 2HA GLY 2 12.610 5.754 -1.214 14 HA3 GLY 2 3HA GLY 2 12.991 6.387 0.374 15 H LYS 3 H LYS 3 11.223 7.279 -2.598 16 HA LYS 3 HA LYS 3 9.325 8.938 -1.186 17 HB2 LYS 3 2HB LYS 3 9.823 9.521 -3.494 18 HB3 LYS 3 3HB LYS 3 9.397 7.910 -4.053 19 HG2 LYS 3 2HG LYS 3 7.679 9.649 -4.592 20 HG3 LYS 3 3HG LYS 3 7.048 8.296 -3.658 21 HD2 LYS 3 2HD LYS 3 6.108 10.410 -2.855 22 HD3 LYS 3 3HD LYS 3 7.110 9.674 -1.606 23 HE2 LYS 3 2HE LYS 3 7.513 12.066 -1.660 24 HE3 LYS 3 3HE LYS 3 8.960 11.242 -2.236 25 HZ1 LYS 3 1HZ LYS 3 8.577 13.033 -3.679 26 HZ2 LYS 3 2HZ LYS 3 6.931 12.701 -3.818 27 HZ3 LYS 3 3HZ LYS 3 8.062 11.674 -4.535 28 H VAL 4 H VAL 4 8.158 7.872 0.266 29 HA VAL 4 HA VAL 4 6.779 5.367 -0.320 30 HB VAL 4 HB VAL 4 6.396 7.149 2.132 31 HG11 VAL 4 1HG1 VAL 4 5.895 4.171 1.746 32 HG12 VAL 4 2HG1 VAL 4 4.660 5.434 1.797 33 HG13 VAL 4 3HG1 VAL 4 5.625 5.087 3.234 34 HG21 VAL 4 1HG2 VAL 4 8.796 6.644 1.945 35 HG22 VAL 4 2HG2 VAL 4 8.442 4.919 1.851 36 HG23 VAL 4 3HG2 VAL 4 8.075 5.815 3.325 37 H VAL 5 H VAL 5 4.763 5.363 -1.214 38 HA VAL 5 HA VAL 5 3.011 7.718 -0.776 39 HB VAL 5 HB VAL 5 3.075 5.886 -3.230 40 HG11 VAL 5 1HG1 VAL 5 1.140 8.142 -2.563 41 HG12 VAL 5 2HG1 VAL 5 0.749 6.424 -2.675 42 HG13 VAL 5 3HG1 VAL 5 1.239 7.310 -4.118 43 HG21 VAL 5 1HG2 VAL 5 4.852 7.602 -3.251 44 HG22 VAL 5 2HG2 VAL 5 3.653 8.869 -2.973 45 HG23 VAL 5 3HG2 VAL 5 3.634 7.950 -4.481 46 H PHE 6 H PHE 6 1.541 7.196 0.695 47 HA PHE 6 HA PHE 6 0.598 4.441 1.006 48 HB2 PHE 6 2HB PHE 6 1.240 5.719 3.038 49 HB3 PHE 6 3HB PHE 6 0.010 6.927 2.674 50 HD1 PHE 6 HD1 PHE 6 0.420 3.263 3.253 51 HD2 PHE 6 HD2 PHE 6 -2.153 6.660 3.635 52 HE1 PHE 6 HE1 PHE 6 -1.222 1.888 4.439 53 HE2 PHE 6 HE2 PHE 6 -3.789 5.263 4.831 54 HZ PHE 6 HZ PHE 6 -3.317 2.882 5.217 55 H LEU 7 H LEU 7 -0.840 3.995 -0.482 56 HA LEU 7 HA LEU 7 -3.078 5.776 -1.184 57 HB2 LEU 7 2HB LEU 7 -1.711 4.855 -3.018 58 HB3 LEU 7 3HB LEU 7 -1.951 3.224 -2.412 59 HG LEU 7 HG LEU 7 -4.368 3.372 -2.975 60 HD11 LEU 7 1HD1 LEU 7 -4.682 5.790 -2.742 61 HD12 LEU 7 2HD1 LEU 7 -5.237 5.218 -4.311 62 HD13 LEU 7 3HD1 LEU 7 -3.696 6.069 -4.183 63 HD21 LEU 7 1HD2 LEU 7 -4.099 3.188 -5.393 64 HD22 LEU 7 2HD2 LEU 7 -2.752 2.412 -4.569 65 HD23 LEU 7 3HD2 LEU 7 -2.533 4.000 -5.312 66 H SER 8 H SER 8 -5.141 5.282 -0.380 67 HA SER 8 HA SER 8 -5.850 2.549 0.353 68 HB2 SER 8 2HB SER 8 -5.797 4.801 2.401 69 HB3 SER 8 3HB SER 8 -6.697 3.301 2.636 70 HG SER 8 HG SER 8 -3.926 3.385 2.077 71 H ASP 9 H ASP 9 -8.085 2.237 0.706 72 HA ASP 9 HA ASP 9 -9.820 3.935 -0.882 73 HB2 ASP 9 2HB ASP 9 -9.979 1.548 -1.242 74 HB3 ASP 9 3HB ASP 9 -10.169 1.227 0.478 75 H ASP 10 H ASP 10 -9.482 2.933 2.502 76 HA ASP 10 HA ASP 10 -11.908 4.380 3.325 77 HB2 ASP 10 2HB ASP 10 -11.533 2.090 4.191 78 HB3 ASP 10 3HB ASP 10 -10.006 2.589 4.902 79 H GLN 11 H GLN 11 -11.899 6.242 4.479 80 HA GLN 11 HA GLN 11 -9.618 7.934 4.351 81 HB2 GLN 11 2HB GLN 11 -11.965 8.721 4.025 82 HB3 GLN 11 3HB GLN 11 -12.290 8.436 5.730 83 HG2 GLN 11 2HG GLN 11 -11.904 10.818 5.276 84 HG3 GLN 11 3HG GLN 11 -10.672 10.169 6.354 85 HE21 GLN 11 1HE2 GLN 11 -8.546 9.928 5.566 86 HE22 GLN 11 2HE2 GLN 11 -8.002 10.741 4.142 87 H GLU 12 H GLU 12 -11.256 6.317 7.106 88 HA GLU 12 HA GLU 12 -9.930 7.574 9.254 89 HB2 GLU 12 2HB GLU 12 -10.870 4.671 9.155 90 HB3 GLU 12 3HB GLU 12 -10.523 5.590 10.618 91 HG2 GLU 12 2HG GLU 12 -12.421 7.081 10.146 92 HG3 GLU 12 3HG GLU 12 -12.756 6.201 8.654 93 H ILE 13 H ILE 13 -9.027 4.871 7.214 94 HA ILE 13 HA ILE 13 -6.677 3.978 8.498 95 HB ILE 13 HB ILE 13 -7.452 3.937 5.544 96 HG12 ILE 13 2HG1 ILE 13 -9.082 2.723 6.948 97 HG13 ILE 13 3HG1 ILE 13 -8.200 1.611 5.917 98 HG21 ILE 13 1HG2 ILE 13 -5.310 2.314 6.931 99 HG22 ILE 13 2HG2 ILE 13 -5.047 3.622 5.779 100 HG23 ILE 13 3HG2 ILE 13 -5.823 2.133 5.254 101 HD11 ILE 13 1HD1 ILE 13 -7.780 2.040 8.871 102 HD12 ILE 13 2HD1 ILE 13 -6.830 0.953 7.857 103 HD13 ILE 13 3HD1 ILE 13 -8.551 0.662 8.092 104 H ILE 14 H ILE 14 -7.159 6.278 5.786 105 HA ILE 14 HA ILE 14 -4.502 6.879 5.173 106 HB ILE 14 HB ILE 14 -6.953 8.679 4.821 107 HG12 ILE 14 2HG1 ILE 14 -5.669 6.759 2.817 108 HG13 ILE 14 3HG1 ILE 14 -7.152 6.440 3.707 109 HG21 ILE 14 1HG2 ILE 14 -4.260 8.853 3.412 110 HG22 ILE 14 2HG2 ILE 14 -4.878 9.993 4.608 111 HG23 ILE 14 3HG2 ILE 14 -5.679 9.840 3.044 112 HD11 ILE 14 1HD1 ILE 14 -6.744 8.616 1.656 113 HD12 ILE 14 2HD1 ILE 14 -8.227 8.333 2.572 114 HD13 ILE 14 3HD1 ILE 14 -7.641 7.111 1.444 115 H GLU 15 H GLU 15 -6.748 8.464 7.412 116 HA GLU 15 HA GLU 15 -5.175 10.735 8.044 117 HB2 GLU 15 2HB GLU 15 -7.447 9.419 9.594 118 HB3 GLU 15 3HB GLU 15 -6.776 11.010 9.958 119 HG2 GLU 15 2HG GLU 15 -7.508 11.860 7.787 120 HG3 GLU 15 3HG GLU 15 -8.079 10.259 7.324 121 H GLU 16 H GLU 16 -5.576 7.601 9.703 122 HA GLU 16 HA GLU 16 -4.060 8.196 12.026 123 HB2 GLU 16 2HB GLU 16 -4.843 5.569 10.711 124 HB3 GLU 16 3HB GLU 16 -4.007 5.643 12.260 125 HG2 GLU 16 2HG GLU 16 -6.638 7.052 11.779 126 HG3 GLU 16 3HG GLU 16 -6.548 5.378 12.297 127 H VAL 17 H VAL 17 -3.185 6.610 8.972 128 HA VAL 17 HA VAL 17 -0.477 6.027 9.697 129 HB VAL 17 HB VAL 17 -1.834 6.169 6.969 130 HG11 VAL 17 1HG1 VAL 17 0.056 4.810 6.124 131 HG12 VAL 17 2HG1 VAL 17 0.865 4.969 7.684 132 HG13 VAL 17 3HG1 VAL 17 0.589 6.397 6.685 133 HG21 VAL 17 1HG2 VAL 17 -1.969 3.705 7.157 134 HG22 VAL 17 2HG2 VAL 17 -2.831 4.494 8.477 135 HG23 VAL 17 3HG2 VAL 17 -1.243 3.783 8.763 136 H SER 18 H SER 18 -2.044 8.702 7.948 137 HA SER 18 HA SER 18 0.260 10.124 7.150 138 HB2 SER 18 2HB SER 18 -2.020 10.520 6.232 139 HB3 SER 18 3HB SER 18 -2.535 11.187 7.779 140 HG SER 18 HG SER 18 -2.004 12.900 6.519 141 H LYS 19 H LYS 19 -1.639 10.129 10.112 142 HA LYS 19 HA LYS 19 -0.415 12.304 11.447 143 HB2 LYS 19 2HB LYS 19 -2.605 11.390 12.135 144 HB3 LYS 19 3HB LYS 19 -1.858 9.854 12.554 145 HG2 LYS 19 2HG LYS 19 -2.378 11.202 14.547 146 HG3 LYS 19 3HG LYS 19 -0.653 10.889 14.404 147 HD2 LYS 19 2HD LYS 19 -1.041 13.195 15.123 148 HD3 LYS 19 3HD LYS 19 -0.310 13.178 13.518 149 HE2 LYS 19 2HE LYS 19 -2.584 13.544 12.535 150 HE3 LYS 19 3HE LYS 19 -3.238 13.662 14.172 151 HZ1 LYS 19 1HZ LYS 19 -1.886 15.586 14.580 152 HZ2 LYS 19 2HZ LYS 19 -2.749 15.835 13.148 153 HZ3 LYS 19 3HZ LYS 19 -1.108 15.432 13.084 154 H LYS 20 H LYS 20 0.208 8.790 11.475 155 HA LYS 20 HA LYS 20 2.443 8.832 13.208 156 HB2 LYS 20 2HB LYS 20 1.255 6.755 12.729 157 HB3 LYS 20 3HB LYS 20 1.704 6.838 11.026 158 HG2 LYS 20 2HG LYS 20 4.005 6.386 11.502 159 HG3 LYS 20 3HG LYS 20 3.787 6.670 13.227 160 HD2 LYS 20 2HD LYS 20 2.538 4.357 11.697 161 HD3 LYS 20 3HD LYS 20 4.043 4.258 12.615 162 HE2 LYS 20 2HE LYS 20 2.746 4.938 14.672 163 HE3 LYS 20 3HE LYS 20 1.267 4.811 13.712 164 HZ1 LYS 20 1HZ LYS 20 1.629 2.781 14.932 165 HZ2 LYS 20 2HZ LYS 20 3.188 2.620 14.298 166 HZ3 LYS 20 3HZ LYS 20 1.848 2.464 13.283 167 H ALA 21 H ALA 21 2.177 9.206 9.684 168 HA ALA 21 HA ALA 21 4.914 9.214 9.006 169 HB1 ALA 21 1HB ALA 21 4.206 10.316 6.927 170 HB2 ALA 21 2HB ALA 21 2.631 10.685 7.642 171 HB3 ALA 21 3HB ALA 21 3.098 9.009 7.349 172 H GLU 22 H GLU 22 2.794 11.680 10.281 173 HA GLU 22 HA GLU 22 4.514 13.940 9.956 174 HB2 GLU 22 2HB GLU 22 2.063 14.097 10.192 175 HB3 GLU 22 3HB GLU 22 2.158 13.459 11.829 176 HG2 GLU 22 2HG GLU 22 3.331 15.456 12.585 177 HG3 GLU 22 3HG GLU 22 3.405 16.076 10.935 178 H GLU 23 H GLU 23 3.676 11.959 12.819 179 HA GLU 23 HA GLU 23 5.348 13.243 14.687 180 HB2 GLU 23 2HB GLU 23 4.192 10.424 14.702 181 HB3 GLU 23 3HB GLU 23 4.910 11.216 16.106 182 HG2 GLU 23 2HG GLU 23 3.168 12.946 16.054 183 HG3 GLU 23 3HG GLU 23 2.475 12.225 14.601 184 H GLU 24 H GLU 24 5.894 10.240 12.825 185 HA GLU 24 HA GLU 24 8.550 9.743 13.803 186 HB2 GLU 24 2HB GLU 24 7.116 8.731 11.305 187 HB3 GLU 24 3HB GLU 24 8.623 8.076 11.932 188 HG2 GLU 24 2HG GLU 24 6.130 8.080 13.635 189 HG3 GLU 24 3HG GLU 24 6.375 6.845 12.405 190 H GLY 25 H GLY 25 7.197 11.747 11.305 191 HA2 GLY 25 2HA GLY 25 8.153 13.294 9.901 192 HA3 GLY 25 3HA GLY 25 9.731 12.892 10.563 193 H TYR 26 H TYR 26 7.586 10.482 9.159 194 HA TYR 26 HA TYR 26 9.424 9.705 7.088 195 HB2 TYR 26 2HB TYR 26 6.500 8.992 7.579 196 HB3 TYR 26 3HB TYR 26 7.469 8.273 6.304 197 HD1 TYR 26 HD1 TYR 26 10.038 7.756 7.790 198 HD2 TYR 26 HD2 TYR 26 5.966 7.126 8.943 199 HE1 TYR 26 HE1 TYR 26 10.728 5.894 9.232 200 HE2 TYR 26 HE2 TYR 26 6.667 5.266 10.399 201 HH TYR 26 HH TYR 26 8.553 3.672 10.572 202 H ASP 27 H ASP 27 9.399 10.270 4.919 203 HA ASP 27 HA ASP 27 7.623 12.407 3.996 204 HB2 ASP 27 2HB ASP 27 9.997 12.600 3.408 205 HB3 ASP 27 3HB ASP 27 9.986 11.004 2.669 206 H ILE 28 H ILE 28 5.646 11.274 4.029 207 HA ILE 28 HA ILE 28 5.260 9.210 1.930 208 HB ILE 28 HB ILE 28 3.512 9.633 4.407 209 HG12 ILE 28 2HG1 ILE 28 5.647 7.509 3.885 210 HG13 ILE 28 3HG1 ILE 28 5.655 8.722 5.156 211 HG21 ILE 28 1HG2 ILE 28 3.463 7.425 2.315 212 HG22 ILE 28 2HG2 ILE 28 2.289 8.734 2.464 213 HG23 ILE 28 3HG2 ILE 28 2.421 7.525 3.740 214 HD11 ILE 28 1HD1 ILE 28 3.821 6.335 4.935 215 HD12 ILE 28 2HD1 ILE 28 3.655 7.609 6.145 216 HD13 ILE 28 3HD1 ILE 28 5.106 6.612 6.112 217 H GLN 29 H GLN 29 4.057 9.881 0.226 218 HA GLN 29 HA GLN 29 2.144 12.095 0.435 219 HB2 GLN 29 2HB GLN 29 3.535 11.938 -1.604 220 HB3 GLN 29 3HB GLN 29 2.965 10.299 -1.903 221 HG2 GLN 29 2HG GLN 29 1.820 11.818 -3.401 222 HG3 GLN 29 3HG GLN 29 0.660 11.181 -2.237 223 HE21 GLN 29 1HE2 GLN 29 -0.792 12.882 -2.432 224 HE22 GLN 29 2HE2 GLN 29 -0.445 14.494 -1.916 225 H THR 30 H THR 30 0.169 11.569 1.263 226 HA THR 30 HA THR 30 -0.877 8.822 1.018 227 HB THR 30 HB THR 30 -2.597 9.601 2.707 228 HG1 THR 30 HG1 THR 30 -2.420 11.608 3.612 229 HG21 THR 30 1HG2 THR 30 -0.566 8.443 3.501 230 HG22 THR 30 2HG2 THR 30 -1.076 9.677 4.654 231 HG23 THR 30 3HG2 THR 30 0.293 9.984 3.583 232 H SER 31 H SER 31 -2.935 8.421 0.101 233 HA SER 31 HA SER 31 -4.502 10.490 -1.177 234 HB2 SER 31 2HB SER 31 -2.618 10.263 -2.793 235 HB3 SER 31 3HB SER 31 -2.917 8.531 -2.911 236 HG SER 31 HG SER 31 -4.809 10.542 -3.612 237 H ASN 32 H ASN 32 -6.370 9.627 -2.276 238 HA ASN 32 HA ASN 32 -7.204 6.907 -1.457 239 HB2 ASN 32 2HB ASN 32 -8.613 8.586 -0.414 240 HB3 ASN 32 3HB ASN 32 -8.822 9.445 -1.935 241 HD21 ASN 32 1HD2 ASN 32 -9.586 6.465 -0.233 242 HD22 ASN 32 2HD2 ASN 32 -11.025 6.104 -1.122 243 H ASP 33 H ASP 33 -7.405 9.338 -3.988 244 HA ASP 33 HA ASP 33 -8.552 7.684 -5.994 245 HB2 ASP 33 2HB ASP 33 -8.020 9.634 -7.521 246 HB3 ASP 33 3HB ASP 33 -9.016 10.020 -6.131 247 H LYS 34 H LYS 34 -7.471 5.936 -6.562 248 HA LYS 34 HA LYS 34 -4.689 5.564 -6.425 249 HB2 LYS 34 2HB LYS 34 -5.064 3.333 -7.228 250 HB3 LYS 34 3HB LYS 34 -6.402 3.764 -6.169 251 HG2 LYS 34 2HG LYS 34 -7.808 4.224 -8.197 252 HG3 LYS 34 3HG LYS 34 -6.466 3.682 -9.208 253 HD2 LYS 34 2HD LYS 34 -8.111 1.892 -8.925 254 HD3 LYS 34 3HD LYS 34 -6.579 1.443 -8.164 255 HE2 LYS 34 2HE LYS 34 -8.476 0.840 -6.743 256 HE3 LYS 34 3HE LYS 34 -7.505 2.074 -5.955 257 HZ1 LYS 34 1HZ LYS 34 -10.062 2.503 -7.405 258 HZ2 LYS 34 2HZ LYS 34 -9.130 3.722 -6.696 259 HZ3 LYS 34 3HZ LYS 34 -9.842 2.538 -5.732 260 H LYS 35 H LYS 35 -6.700 6.537 -9.105 261 HA LYS 35 HA LYS 35 -4.906 5.728 -11.205 262 HB2 LYS 35 2HB LYS 35 -7.253 7.669 -11.267 263 HB3 LYS 35 3HB LYS 35 -6.366 7.142 -12.698 264 HG2 LYS 35 2HG LYS 35 -7.006 4.781 -12.195 265 HG3 LYS 35 3HG LYS 35 -7.957 5.350 -10.824 266 HD2 LYS 35 2HD LYS 35 -8.454 6.091 -13.736 267 HD3 LYS 35 3HD LYS 35 -9.338 4.858 -12.841 268 HE2 LYS 35 2HE LYS 35 -10.784 6.690 -12.727 269 HE3 LYS 35 3HE LYS 35 -9.922 6.818 -11.199 270 HZ1 LYS 35 1HZ LYS 35 -8.493 8.512 -12.225 271 HZ2 LYS 35 2HZ LYS 35 -10.120 8.955 -12.266 272 HZ3 LYS 35 3HZ LYS 35 -9.372 8.383 -13.666 273 H GLU 36 H GLU 36 -5.135 8.545 -9.188 274 HA GLU 36 HA GLU 36 -3.377 10.289 -10.563 275 HB2 GLU 36 2HB GLU 36 -4.869 10.917 -8.631 276 HB3 GLU 36 3HB GLU 36 -3.835 9.989 -7.559 277 HG2 GLU 36 2HG GLU 36 -3.269 12.272 -7.247 278 HG3 GLU 36 3HG GLU 36 -1.949 11.557 -8.166 279 H ILE 37 H ILE 37 -2.905 7.722 -8.172 280 HA ILE 37 HA ILE 37 -0.079 8.102 -7.802 281 HB ILE 37 HB ILE 37 -1.921 5.834 -6.921 282 HG12 ILE 37 2HG1 ILE 37 -2.750 7.896 -5.981 283 HG13 ILE 37 3HG1 ILE 37 -1.890 7.072 -4.687 284 HG21 ILE 37 1HG2 ILE 37 -0.220 5.342 -5.198 285 HG22 ILE 37 2HG2 ILE 37 0.851 6.545 -5.921 286 HG23 ILE 37 3HG2 ILE 37 0.400 5.102 -6.834 287 HD11 ILE 37 1HD1 ILE 37 -0.910 9.437 -6.295 288 HD12 ILE 37 2HD1 ILE 37 0.055 8.579 -5.090 289 HD13 ILE 37 3HD1 ILE 37 -1.415 9.421 -4.608 290 H ILE 38 H ILE 38 -2.094 5.885 -9.655 291 HA ILE 38 HA ILE 38 -0.214 4.029 -10.583 292 HB ILE 38 HB ILE 38 -2.838 5.040 -11.775 293 HG12 ILE 38 2HG1 ILE 38 -2.128 2.363 -10.473 294 HG13 ILE 38 3HG1 ILE 38 -2.976 3.683 -9.680 295 HG21 ILE 38 1HG2 ILE 38 -1.170 2.769 -12.906 296 HG22 ILE 38 2HG2 ILE 38 -1.480 4.317 -13.690 297 HG23 ILE 38 3HG2 ILE 38 -2.808 3.188 -13.411 298 HD11 ILE 38 1HD1 ILE 38 -3.991 2.067 -12.017 299 HD12 ILE 38 2HD1 ILE 38 -4.831 3.431 -11.274 300 HD13 ILE 38 3HD1 ILE 38 -4.529 1.967 -10.338 301 H ASP 39 H ASP 39 -1.049 7.278 -11.633 302 HA ASP 39 HA ASP 39 0.349 7.378 -14.085 303 HB2 ASP 39 2HB ASP 39 -1.407 9.037 -13.238 304 HB3 ASP 39 3HB ASP 39 -0.162 9.738 -12.217 305 H ARG 40 H ARG 40 1.353 7.924 -10.742 306 HA ARG 40 HA ARG 40 4.003 8.893 -11.441 307 HB2 ARG 40 2HB ARG 40 2.770 8.199 -8.746 308 HB3 ARG 40 3HB ARG 40 4.369 8.917 -8.961 309 HG2 ARG 40 2HG ARG 40 3.388 10.900 -9.982 310 HG3 ARG 40 3HG ARG 40 1.785 10.176 -9.907 311 HD2 ARG 40 2HD ARG 40 1.765 10.304 -7.489 312 HD3 ARG 40 3HD ARG 40 3.459 10.799 -7.453 313 HE ARG 40 HE ARG 40 2.760 12.940 -7.700 314 HH11 ARG 40 1HH1 ARG 40 0.238 10.963 -9.184 315 HH12 ARG 40 2HH1 ARG 40 -0.754 12.328 -9.556 316 HH21 ARG 40 1HH2 ARG 40 1.418 14.688 -8.188 317 HH22 ARG 40 2HH2 ARG 40 -0.097 14.427 -8.997 318 H LEU 41 H LEU 41 2.541 5.834 -10.573 319 HA LEU 41 HA LEU 41 4.940 4.303 -10.381 320 HB2 LEU 41 2HB LEU 41 2.116 3.499 -11.183 321 HB3 LEU 41 3HB LEU 41 3.415 2.352 -10.898 322 HG LEU 41 HG LEU 41 2.272 4.229 -8.784 323 HD11 LEU 41 1HD1 LEU 41 1.789 1.253 -9.142 324 HD12 LEU 41 2HD1 LEU 41 0.620 2.542 -9.447 325 HD13 LEU 41 3HD1 LEU 41 1.200 2.256 -7.809 326 HD21 LEU 41 1HD2 LEU 41 4.601 3.682 -8.328 327 HD22 LEU 41 2HD2 LEU 41 4.267 1.955 -8.509 328 HD23 LEU 41 3HD2 LEU 41 3.546 2.865 -7.176 329 H LYS 42 H LYS 42 2.933 5.400 -13.076 330 HA LYS 42 HA LYS 42 4.289 4.070 -15.220 331 HB2 LYS 42 2HB LYS 42 2.600 6.606 -15.163 332 HB3 LYS 42 3HB LYS 42 3.207 5.883 -16.647 333 HG2 LYS 42 2HG LYS 42 1.837 3.939 -16.373 334 HG3 LYS 42 3HG LYS 42 1.415 4.384 -14.718 335 HD2 LYS 42 2HD LYS 42 -0.447 4.829 -16.299 336 HD3 LYS 42 3HD LYS 42 0.117 6.304 -15.516 337 HE2 LYS 42 2HE LYS 42 1.443 6.831 -17.566 338 HE3 LYS 42 3HE LYS 42 0.768 5.396 -18.338 339 HZ1 LYS 42 1HZ LYS 42 -1.429 6.350 -18.135 340 HZ2 LYS 42 2HZ LYS 42 -0.413 7.416 -18.963 341 HZ3 LYS 42 3HZ LYS 42 -0.813 7.710 -17.347 342 H ARG 43 H ARG 43 4.831 7.050 -13.445 343 HA ARG 43 HA ARG 43 6.955 8.053 -15.120 344 HB2 ARG 43 2HB ARG 43 6.247 8.764 -12.237 345 HB3 ARG 43 3HB ARG 43 7.342 9.669 -13.278 346 HG2 ARG 43 2HG ARG 43 5.503 10.319 -14.734 347 HG3 ARG 43 3HG ARG 43 4.389 9.291 -13.836 348 HD2 ARG 43 2HD ARG 43 4.889 10.708 -11.788 349 HD3 ARG 43 3HD ARG 43 5.764 11.809 -12.855 350 HE ARG 43 HE ARG 43 3.014 11.234 -13.614 351 HH11 ARG 43 1HH1 ARG 43 5.143 13.447 -11.873 352 HH12 ARG 43 2HH1 ARG 43 4.003 14.755 -11.894 353 HH21 ARG 43 1HH2 ARG 43 1.512 12.928 -13.591 354 HH22 ARG 43 2HH2 ARG 43 1.936 14.454 -12.874 355 H ARG 44 H ARG 44 6.735 5.563 -12.797 356 HA ARG 44 HA ARG 44 8.134 4.284 -11.567 357 HB2 ARG 44 2HB ARG 44 10.010 5.180 -13.780 358 HB3 ARG 44 3HB ARG 44 10.651 4.243 -12.441 359 HG2 ARG 44 2HG ARG 44 10.202 2.750 -14.266 360 HG3 ARG 44 3HG ARG 44 9.049 2.412 -12.981 361 HD2 ARG 44 2HD ARG 44 7.956 2.314 -15.153 362 HD3 ARG 44 3HD ARG 44 7.321 3.681 -14.230 363 HE ARG 44 HE ARG 44 9.034 5.026 -15.588 364 HH11 ARG 44 1HH1 ARG 44 7.290 2.237 -16.908 365 HH12 ARG 44 2HH1 ARG 44 7.382 2.825 -18.543 366 HH21 ARG 44 1HH2 ARG 44 9.104 5.777 -17.707 367 HH22 ARG 44 2HH2 ARG 44 8.413 4.836 -18.993 368 H ASN 45 H ASN 45 7.704 7.097 -10.788 369 HA ASN 45 HA ASN 45 10.242 7.914 -9.530 370 HB2 ASN 45 2HB ASN 45 7.704 9.462 -10.150 371 HB3 ASN 45 3HB ASN 45 8.996 10.119 -9.146 372 HD21 ASN 45 1HD2 ASN 45 8.070 11.159 -11.664 373 HD22 ASN 45 2HD2 ASN 45 9.414 11.113 -12.741 374 H ILE 46 H ILE 46 7.918 5.946 -8.602 375 HA ILE 46 HA ILE 46 7.868 6.837 -5.772 376 HB ILE 46 HB ILE 46 6.122 4.730 -7.151 377 HG12 ILE 46 2HG1 ILE 46 5.393 7.512 -6.114 378 HG13 ILE 46 3HG1 ILE 46 5.508 7.043 -7.805 379 HG21 ILE 46 1HG2 ILE 46 6.001 5.729 -4.275 380 HG22 ILE 46 2HG2 ILE 46 6.555 4.134 -4.791 381 HG23 ILE 46 3HG2 ILE 46 4.871 4.598 -5.025 382 HD11 ILE 46 1HD1 ILE 46 3.494 5.963 -5.825 383 HD12 ILE 46 2HD1 ILE 46 3.607 5.548 -7.538 384 HD13 ILE 46 3HD1 ILE 46 3.201 7.191 -7.057 385 H ASP 47 H ASP 47 9.077 5.706 -4.332 386 HA ASP 47 HA ASP 47 10.867 3.618 -5.298 387 HB2 ASP 47 2HB ASP 47 11.736 5.454 -3.896 388 HB3 ASP 47 3HB ASP 47 10.649 5.008 -2.591 389 H MET 48 H MET 48 8.410 4.033 -2.785 390 HA MET 48 HA MET 48 7.742 1.202 -2.873 391 HB2 MET 48 2HB MET 48 7.948 0.858 -0.468 392 HB3 MET 48 3HB MET 48 9.493 1.383 -1.113 393 HG2 MET 48 2HG MET 48 8.760 3.752 -0.306 394 HG3 MET 48 3HG MET 48 7.601 2.870 0.687 395 HE1 MET 48 1HE MET 48 10.335 0.554 2.669 396 HE2 MET 48 2HE MET 48 9.729 0.166 1.059 397 HE3 MET 48 3HE MET 48 8.613 0.694 2.318 398 H ILE 49 H ILE 49 5.625 0.817 -2.459 399 HA ILE 49 HA ILE 49 3.854 3.083 -1.795 400 HB ILE 49 HB ILE 49 3.873 2.932 -4.247 401 HG12 ILE 49 2HG1 ILE 49 1.280 1.813 -3.072 402 HG13 ILE 49 3HG1 ILE 49 1.716 3.512 -3.199 403 HG21 ILE 49 1HG2 ILE 49 4.629 0.614 -4.517 404 HG22 ILE 49 2HG2 ILE 49 3.185 0.918 -5.483 405 HG23 ILE 49 3HG2 ILE 49 3.058 0.021 -3.967 406 HD11 ILE 49 1HD1 ILE 49 0.100 2.905 -4.879 407 HD12 ILE 49 2HD1 ILE 49 1.164 1.646 -5.503 408 HD13 ILE 49 3HD1 ILE 49 1.627 3.344 -5.642 409 H ILE 50 H ILE 50 1.972 2.515 -0.763 410 HA ILE 50 HA ILE 50 1.601 -0.296 0.126 411 HB ILE 50 HB ILE 50 1.106 2.254 1.758 412 HG12 ILE 50 2HG1 ILE 50 3.322 0.183 2.130 413 HG13 ILE 50 3HG1 ILE 50 3.546 1.769 1.407 414 HG21 ILE 50 1HG2 ILE 50 -0.458 0.457 2.351 415 HG22 ILE 50 2HG2 ILE 50 0.693 0.722 3.659 416 HG23 ILE 50 3HG2 ILE 50 0.886 -0.665 2.587 417 HD11 ILE 50 1HD1 ILE 50 2.749 1.212 4.255 418 HD12 ILE 50 2HD1 ILE 50 2.915 2.813 3.528 419 HD13 ILE 50 3HD1 ILE 50 4.321 1.758 3.670 420 H VAL 51 H VAL 51 -0.471 -1.038 -0.238 421 HA VAL 51 HA VAL 51 -2.613 0.903 -0.922 422 HB VAL 51 HB VAL 51 -2.163 -1.847 -2.204 423 HG11 VAL 51 1HG1 VAL 51 -4.031 -1.256 -3.714 424 HG12 VAL 51 2HG1 VAL 51 -4.288 0.245 -2.823 425 HG13 VAL 51 3HG1 VAL 51 -4.562 -1.309 -2.032 426 HG21 VAL 51 1HG2 VAL 51 -1.650 -0.615 -4.281 427 HG22 VAL 51 2HG2 VAL 51 -0.511 -0.199 -2.999 428 HG23 VAL 51 3HG2 VAL 51 -1.809 0.921 -3.421 429 H LYS 52 H LYS 52 -3.932 0.868 0.821 430 HA LYS 52 HA LYS 52 -4.712 -1.728 2.007 431 HB2 LYS 52 2HB LYS 52 -3.822 -0.287 3.711 432 HB3 LYS 52 3HB LYS 52 -4.758 1.086 3.145 433 HG2 LYS 52 2HG LYS 52 -5.688 0.230 5.228 434 HG3 LYS 52 3HG LYS 52 -6.841 0.011 3.911 435 HD2 LYS 52 2HD LYS 52 -6.097 -2.392 3.752 436 HD3 LYS 52 3HD LYS 52 -5.081 -2.130 5.175 437 HE2 LYS 52 2HE LYS 52 -7.172 -3.169 5.841 438 HE3 LYS 52 3HE LYS 52 -7.130 -1.525 6.474 439 HZ1 LYS 52 1HZ LYS 52 -8.526 -0.848 4.600 440 HZ2 LYS 52 2HZ LYS 52 -9.278 -2.026 5.546 441 HZ3 LYS 52 3HZ LYS 52 -8.594 -2.449 4.061 442 H THR 53 H THR 53 -6.356 -2.453 0.931 443 HA THR 53 HA THR 53 -8.910 -1.077 1.069 444 HB THR 53 HB THR 53 -8.105 -0.344 -1.161 445 HG1 THR 53 HG1 THR 53 -10.003 -0.676 -2.046 446 HG21 THR 53 1HG2 THR 53 -7.931 -3.283 -1.913 447 HG22 THR 53 2HG2 THR 53 -6.556 -2.199 -1.692 448 HG23 THR 53 3HG2 THR 53 -7.702 -1.914 -3.004 449 H GLU 54 H GLU 54 -10.315 -3.107 -0.462 450 HA GLU 54 HA GLU 54 -9.490 -5.705 0.631 451 HB2 GLU 54 2HB GLU 54 -11.040 -4.388 2.286 452 HB3 GLU 54 3HB GLU 54 -12.322 -4.685 1.121 453 HG2 GLU 54 2HG GLU 54 -11.803 -7.182 1.401 454 HG3 GLU 54 3HG GLU 54 -10.788 -6.721 2.770 455 H ASP 55 H ASP 55 -9.551 -4.526 -1.993 456 HA ASP 55 HA ASP 55 -11.403 -6.366 -3.388 457 HB2 ASP 55 2HB ASP 55 -12.426 -4.161 -3.583 458 HB3 ASP 55 3HB ASP 55 -10.896 -3.433 -4.072 459 H LYS 56 H LYS 56 -10.206 -7.777 -4.432 460 HA LYS 56 HA LYS 56 -7.431 -7.732 -4.732 461 HB2 LYS 56 2HB LYS 56 -9.431 -9.407 -6.307 462 HB3 LYS 56 3HB LYS 56 -7.717 -9.766 -6.108 463 HG2 LYS 56 2HG LYS 56 -8.033 -10.146 -3.724 464 HG3 LYS 56 3HG LYS 56 -9.730 -9.681 -3.835 465 HD2 LYS 56 2HD LYS 56 -8.522 -12.056 -5.307 466 HD3 LYS 56 3HD LYS 56 -9.288 -12.176 -3.724 467 HE2 LYS 56 2HE LYS 56 -10.922 -12.858 -5.325 468 HE3 LYS 56 3HE LYS 56 -11.406 -11.254 -4.791 469 HZ1 LYS 56 1HZ LYS 56 -10.593 -10.325 -6.835 470 HZ2 LYS 56 2HZ LYS 56 -11.593 -11.632 -7.211 471 HZ3 LYS 56 3HZ LYS 56 -9.918 -11.804 -7.307 472 H GLU 57 H GLU 57 -9.947 -6.634 -6.916 473 HA GLU 57 HA GLU 57 -8.515 -6.785 -9.364 474 HB2 GLU 57 2HB GLU 57 -10.875 -4.940 -8.809 475 HB3 GLU 57 3HB GLU 57 -10.418 -5.684 -10.337 476 HG2 GLU 57 2HG GLU 57 -11.629 -7.048 -7.918 477 HG3 GLU 57 3HG GLU 57 -12.401 -6.763 -9.474 478 H SER 58 H SER 58 -9.299 -4.089 -7.174 479 HA SER 58 HA SER 58 -7.940 -2.034 -8.572 480 HB2 SER 58 2HB SER 58 -8.166 -0.806 -6.379 481 HB3 SER 58 3HB SER 58 -9.678 -1.480 -6.977 482 HG SER 58 HG SER 58 -9.388 -3.213 -5.522 483 H ILE 59 H ILE 59 -7.037 -4.139 -5.868 484 HA ILE 59 HA ILE 59 -4.439 -3.305 -5.275 485 HB ILE 59 HB ILE 59 -5.717 -6.077 -5.286 486 HG12 ILE 59 2HG1 ILE 59 -5.067 -4.245 -2.929 487 HG13 ILE 59 3HG1 ILE 59 -6.649 -4.378 -3.685 488 HG21 ILE 59 1HG2 ILE 59 -3.878 -6.906 -3.884 489 HG22 ILE 59 2HG2 ILE 59 -3.028 -5.378 -4.096 490 HG23 ILE 59 3HG2 ILE 59 -3.313 -6.423 -5.484 491 HD11 ILE 59 1HD1 ILE 59 -6.742 -6.750 -3.029 492 HD12 ILE 59 2HD1 ILE 59 -6.599 -5.656 -1.655 493 HD13 ILE 59 3HD1 ILE 59 -5.191 -6.564 -2.205 494 H SER 60 H SER 60 -5.595 -5.570 -7.742 495 HA SER 60 HA SER 60 -3.172 -6.585 -8.688 496 HB2 SER 60 2HB SER 60 -5.367 -7.647 -9.079 497 HB3 SER 60 3HB SER 60 -5.839 -6.325 -10.146 498 HG SER 60 HG SER 60 -3.531 -7.905 -10.601 499 H GLU 61 H GLU 61 -4.976 -3.685 -9.642 500 HA GLU 61 HA GLU 61 -3.659 -3.137 -12.085 501 HB2 GLU 61 2HB GLU 61 -5.024 -1.178 -10.180 502 HB3 GLU 61 3HB GLU 61 -4.600 -0.842 -11.859 503 HG2 GLU 61 2HG GLU 61 -6.675 -2.780 -10.820 504 HG3 GLU 61 3HG GLU 61 -6.938 -1.336 -11.792 505 H ILE 62 H ILE 62 -3.119 -1.869 -8.793 506 HA ILE 62 HA ILE 62 -0.896 -0.234 -9.365 507 HB ILE 62 HB ILE 62 -1.910 -1.490 -6.792 508 HG12 ILE 62 2HG1 ILE 62 -2.156 0.952 -6.107 509 HG13 ILE 62 3HG1 ILE 62 -1.628 1.413 -7.720 510 HG21 ILE 62 1HG2 ILE 62 0.504 -1.562 -6.493 511 HG22 ILE 62 2HG2 ILE 62 -0.154 -0.260 -5.506 512 HG23 ILE 62 3HG2 ILE 62 0.659 0.115 -7.024 513 HD11 ILE 62 1HD1 ILE 62 -4.034 1.587 -7.465 514 HD12 ILE 62 2HD1 ILE 62 -4.136 -0.123 -7.047 515 HD13 ILE 62 3HD1 ILE 62 -3.624 0.362 -8.666 516 H ILE 63 H ILE 63 -1.120 -3.662 -8.345 517 HA ILE 63 HA ILE 63 1.621 -4.187 -8.028 518 HB ILE 63 HB ILE 63 -0.572 -6.147 -8.856 519 HG12 ILE 63 2HG1 ILE 63 0.609 -5.489 -6.111 520 HG13 ILE 63 3HG1 ILE 63 -1.008 -5.075 -6.671 521 HG21 ILE 63 1HG2 ILE 63 0.949 -7.945 -8.072 522 HG22 ILE 63 2HG2 ILE 63 2.217 -6.752 -7.785 523 HG23 ILE 63 3HG2 ILE 63 1.654 -7.059 -9.428 524 HD11 ILE 63 1HD1 ILE 63 -1.062 -6.963 -5.177 525 HD12 ILE 63 2HD1 ILE 63 0.046 -7.858 -6.214 526 HD13 ILE 63 3HD1 ILE 63 -1.570 -7.445 -6.793 527 H LYS 64 H LYS 64 -0.446 -4.405 -10.961 528 HA LYS 64 HA LYS 64 1.391 -5.427 -12.811 529 HB2 LYS 64 2HB LYS 64 -0.822 -3.366 -13.238 530 HB3 LYS 64 3HB LYS 64 0.065 -4.128 -14.554 531 HG2 LYS 64 2HG LYS 64 -0.817 -6.333 -13.846 532 HG3 LYS 64 3HG LYS 64 -1.734 -5.539 -12.566 533 HD2 LYS 64 2HD LYS 64 -2.961 -4.218 -14.303 534 HD3 LYS 64 3HD LYS 64 -2.073 -5.088 -15.560 535 HE2 LYS 64 2HE LYS 64 -4.286 -6.063 -15.296 536 HE3 LYS 64 3HE LYS 64 -3.079 -7.223 -14.735 537 HZ1 LYS 64 1HZ LYS 64 -4.908 -7.128 -13.199 538 HZ2 LYS 64 2HZ LYS 64 -4.751 -5.457 -13.028 539 HZ3 LYS 64 3HZ LYS 64 -3.537 -6.479 -12.453 540 H GLN 65 H GLN 65 0.727 -2.068 -11.843 541 HA GLN 65 HA GLN 65 2.663 -0.804 -13.492 542 HB2 GLN 65 2HB GLN 65 1.478 0.167 -10.864 543 HB3 GLN 65 3HB GLN 65 2.300 1.171 -12.052 544 HG2 GLN 65 2HG GLN 65 -0.345 -0.251 -12.401 545 HG3 GLN 65 3HG GLN 65 -0.098 1.481 -12.203 546 HE21 GLN 65 1HE2 GLN 65 0.860 2.641 -13.940 547 HE22 GLN 65 2HE2 GLN 65 0.794 2.043 -15.558 548 H VAL 66 H VAL 66 2.890 -2.231 -10.263 549 HA VAL 66 HA VAL 66 5.525 -1.199 -9.701 550 HB VAL 66 HB VAL 66 3.909 -3.329 -8.224 551 HG11 VAL 66 1HG1 VAL 66 5.495 -2.991 -6.355 552 HG12 VAL 66 2HG1 VAL 66 6.447 -1.893 -7.346 553 HG13 VAL 66 3HG1 VAL 66 6.321 -3.596 -7.784 554 HG21 VAL 66 1HG2 VAL 66 4.331 -0.384 -7.565 555 HG22 VAL 66 2HG2 VAL 66 3.434 -1.544 -6.579 556 HG23 VAL 66 3HG2 VAL 66 2.840 -1.099 -8.180 557 H LEU 67 H LEU 67 4.223 -4.045 -11.279 558 HA LEU 67 HA LEU 67 6.624 -5.616 -11.227 559 HB2 LEU 67 2HB LEU 67 4.253 -5.666 -13.143 560 HB3 LEU 67 3HB LEU 67 5.564 -6.835 -13.186 561 HG LEU 67 HG LEU 67 3.626 -6.462 -10.865 562 HD11 LEU 67 1HD1 LEU 67 3.731 -8.690 -12.916 563 HD12 LEU 67 2HD1 LEU 67 2.507 -7.422 -12.811 564 HD13 LEU 67 3HD1 LEU 67 2.653 -8.607 -11.517 565 HD21 LEU 67 1HD2 LEU 67 5.796 -8.553 -11.225 566 HD22 LEU 67 2HD2 LEU 67 4.596 -8.521 -9.930 567 HD23 LEU 67 3HD2 LEU 67 5.793 -7.235 -10.050 568 H ASP 68 H ASP 68 5.313 -3.092 -13.320 569 HA ASP 68 HA ASP 68 7.349 -3.147 -15.324 570 HB2 ASP 68 2HB ASP 68 5.164 -2.203 -15.856 571 HB3 ASP 68 3HB ASP 68 5.297 -1.021 -14.556 572 H SER 69 H SER 69 6.966 -1.345 -12.256 573 HA SER 69 HA SER 69 9.240 0.403 -12.814 574 HB2 SER 69 2HB SER 69 8.664 1.401 -10.592 575 HB3 SER 69 3HB SER 69 7.294 1.363 -11.700 576 HG SER 69 HG SER 69 6.274 0.224 -10.290 577 H GLY 70 H GLY 70 8.525 -2.458 -10.936 578 HA2 GLY 70 2HA GLY 70 9.859 -3.949 -9.803 579 HA3 GLY 70 3HA GLY 70 11.271 -3.034 -10.306 580 H ALA 71 H ALA 71 8.605 -1.531 -8.593 581 HA ALA 71 HA ALA 71 10.360 -0.545 -6.502 582 HB1 ALA 71 1HB ALA 71 8.377 0.739 -5.775 583 HB2 ALA 71 2HB ALA 71 7.365 -0.166 -6.907 584 HB3 ALA 71 3HB ALA 71 8.632 0.902 -7.516 585 H LYS 72 H LYS 72 9.523 -0.593 -4.133 586 HA LYS 72 HA LYS 72 8.792 -3.310 -3.312 587 HB2 LYS 72 2HB LYS 72 9.445 -0.795 -1.705 588 HB3 LYS 72 3HB LYS 72 8.823 -2.251 -0.946 589 HG2 LYS 72 2HG LYS 72 11.184 -2.257 -0.642 590 HG3 LYS 72 3HG LYS 72 10.811 -3.505 -1.828 591 HD2 LYS 72 2HD LYS 72 12.820 -2.277 -2.490 592 HD3 LYS 72 3HD LYS 72 11.523 -1.972 -3.650 593 HE2 LYS 72 2HE LYS 72 11.074 0.208 -2.547 594 HE3 LYS 72 3HE LYS 72 12.376 -0.112 -1.400 595 HZ1 LYS 72 1HZ LYS 72 13.955 -0.103 -3.207 596 HZ2 LYS 72 2HZ LYS 72 13.073 1.342 -3.215 597 HZ3 LYS 72 3HZ LYS 72 12.724 0.131 -4.342 598 H VAL 73 H VAL 73 6.707 -3.914 -3.132 599 HA VAL 73 HA VAL 73 4.615 -1.835 -2.744 600 HB VAL 73 HB VAL 73 4.447 -2.737 -4.989 601 HG11 VAL 73 1HG1 VAL 73 4.225 -5.513 -3.791 602 HG12 VAL 73 2HG1 VAL 73 5.572 -4.882 -4.739 603 HG13 VAL 73 3HG1 VAL 73 3.994 -5.109 -5.496 604 HG21 VAL 73 1HG2 VAL 73 2.184 -3.808 -3.268 605 HG22 VAL 73 2HG2 VAL 73 2.100 -3.499 -5.005 606 HG23 VAL 73 3HG2 VAL 73 2.342 -2.160 -3.884 607 H LEU 74 H LEU 74 3.325 -2.071 -1.078 608 HA LEU 74 HA LEU 74 3.192 -4.606 0.424 609 HB2 LEU 74 2HB LEU 74 4.161 -2.810 1.762 610 HB3 LEU 74 3HB LEU 74 2.841 -1.729 1.344 611 HG LEU 74 HG LEU 74 1.260 -3.104 2.641 612 HD11 LEU 74 1HD1 LEU 74 2.021 -4.966 4.056 613 HD12 LEU 74 2HD1 LEU 74 3.618 -4.883 3.309 614 HD13 LEU 74 3HD1 LEU 74 2.208 -5.311 2.338 615 HD21 LEU 74 1HD2 LEU 74 2.075 -2.580 4.883 616 HD22 LEU 74 2HD2 LEU 74 2.433 -1.266 3.766 617 HD23 LEU 74 3HD2 LEU 74 3.716 -2.372 4.263 618 H ILE 75 H ILE 75 1.254 -5.563 0.453 619 HA ILE 75 HA ILE 75 -1.155 -4.090 -0.425 620 HB ILE 75 HB ILE 75 -0.476 -7.051 -0.756 621 HG12 ILE 75 2HG1 ILE 75 0.696 -5.743 -2.428 622 HG13 ILE 75 3HG1 ILE 75 -0.655 -6.530 -3.230 623 HG21 ILE 75 1HG2 ILE 75 -2.640 -7.286 -1.933 624 HG22 ILE 75 2HG2 ILE 75 -3.046 -5.618 -1.528 625 HG23 ILE 75 3HG2 ILE 75 -2.865 -6.819 -0.246 626 HD11 ILE 75 1HD1 ILE 75 -0.429 -3.625 -2.446 627 HD12 ILE 75 2HD1 ILE 75 -1.902 -4.360 -3.085 628 HD13 ILE 75 3HD1 ILE 75 -0.440 -4.312 -4.069 629 H LEU 76 H LEU 76 -2.184 -3.562 1.368 630 HA LEU 76 HA LEU 76 -2.524 -5.467 3.583 631 HB2 LEU 76 2HB LEU 76 -3.057 -2.467 3.428 632 HB3 LEU 76 3HB LEU 76 -3.297 -3.458 4.858 633 HG LEU 76 HG LEU 76 -0.602 -2.928 3.533 634 HD11 LEU 76 1HD1 LEU 76 -0.078 -1.533 5.467 635 HD12 LEU 76 2HD1 LEU 76 -1.704 -1.781 6.113 636 HD13 LEU 76 3HD1 LEU 76 -1.479 -0.905 4.597 637 HD21 LEU 76 1HD2 LEU 76 -0.636 -5.105 4.619 638 HD22 LEU 76 2HD2 LEU 76 -1.244 -4.386 6.112 639 HD23 LEU 76 3HD2 LEU 76 0.374 -3.983 5.528 640 H SER 77 H SER 77 -4.421 -6.531 3.670 641 HA SER 77 HA SER 77 -6.905 -5.273 2.724 642 HB2 SER 77 2HB SER 77 -6.098 -8.133 2.015 643 HB3 SER 77 3HB SER 77 -7.622 -7.347 1.595 644 HG SER 77 HG SER 77 -5.718 -5.778 0.711 645 H SER 78 H SER 78 -8.767 -6.063 3.830 646 HA SER 78 HA SER 78 -8.157 -6.815 6.568 647 HB2 SER 78 2HB SER 78 -10.817 -6.073 5.282 648 HB3 SER 78 3HB SER 78 -10.476 -6.146 7.014 649 HG SER 78 HG SER 78 -10.146 -4.070 6.618 650 H ASP 79 H ASP 79 -8.275 -8.801 4.115 651 HA ASP 79 HA ASP 79 -9.866 -10.890 5.446 652 HB2 ASP 79 2HB ASP 79 -11.302 -9.961 3.649 653 HB3 ASP 79 3HB ASP 79 -10.035 -10.247 2.464 654 H GLU 80 H GLU 80 -8.830 -12.750 5.586 655 HA GLU 80 HA GLU 80 -6.111 -13.079 4.981 656 HB2 GLU 80 2HB GLU 80 -8.282 -14.987 5.900 657 HB3 GLU 80 3HB GLU 80 -6.632 -15.544 5.658 658 HG2 GLU 80 2HG GLU 80 -7.357 -13.266 7.514 659 HG3 GLU 80 3HG GLU 80 -7.270 -14.949 8.031 660 H ASN 81 H ASN 81 -8.983 -14.104 3.190 661 HA ASN 81 HA ASN 81 -7.611 -16.052 1.556 662 HB2 ASN 81 2HB ASN 81 -10.377 -14.836 1.103 663 HB3 ASN 81 3HB ASN 81 -9.754 -16.338 0.420 664 HD21 ASN 81 1HD2 ASN 81 -10.997 -14.780 3.287 665 HD22 ASN 81 2HD2 ASN 81 -11.264 -16.231 4.201 666 H ILE 82 H ILE 82 -8.629 -12.681 1.252 667 HA ILE 82 HA ILE 82 -7.949 -12.272 -1.480 668 HB ILE 82 HB ILE 82 -8.217 -10.323 0.858 669 HG12 ILE 82 2HG1 ILE 82 -9.988 -10.902 -1.563 670 HG13 ILE 82 3HG1 ILE 82 -10.319 -11.355 0.104 671 HG21 ILE 82 1HG2 ILE 82 -8.139 -8.440 -0.771 672 HG22 ILE 82 2HG2 ILE 82 -7.671 -9.570 -2.041 673 HG23 ILE 82 3HG2 ILE 82 -6.600 -9.295 -0.669 674 HD11 ILE 82 1HD1 ILE 82 -10.231 -8.553 -1.002 675 HD12 ILE 82 2HD1 ILE 82 -10.507 -8.982 0.692 676 HD13 ILE 82 3HD1 ILE 82 -11.664 -9.478 -0.541 677 H ILE 83 H ILE 83 -6.153 -11.688 1.571 678 HA ILE 83 HA ILE 83 -3.704 -10.834 0.522 679 HB ILE 83 HB ILE 83 -4.363 -12.366 3.080 680 HG12 ILE 83 2HG1 ILE 83 -5.254 -10.052 2.924 681 HG13 ILE 83 3HG1 ILE 83 -4.042 -10.174 4.192 682 HG21 ILE 83 1HG2 ILE 83 -1.654 -11.185 2.371 683 HG22 ILE 83 2HG2 ILE 83 -2.028 -12.898 2.573 684 HG23 ILE 83 3HG2 ILE 83 -2.118 -11.807 3.956 685 HD11 ILE 83 1HD1 ILE 83 -3.632 -8.977 1.443 686 HD12 ILE 83 2HD1 ILE 83 -2.393 -9.112 2.696 687 HD13 ILE 83 3HD1 ILE 83 -3.814 -8.103 2.964 688 H GLU 84 H GLU 84 -4.906 -14.127 1.136 689 HA GLU 84 HA GLU 84 -2.611 -15.592 0.401 690 HB2 GLU 84 2HB GLU 84 -4.451 -16.564 1.718 691 HB3 GLU 84 3HB GLU 84 -5.552 -16.404 0.350 692 HG2 GLU 84 2HG GLU 84 -4.192 -18.026 -0.931 693 HG3 GLU 84 3HG GLU 84 -3.086 -18.178 0.434 694 H SER 85 H SER 85 -5.433 -14.499 -1.503 695 HA SER 85 HA SER 85 -4.842 -15.756 -3.931 696 HB2 SER 85 2HB SER 85 -6.285 -13.123 -3.410 697 HB3 SER 85 3HB SER 85 -6.285 -13.971 -4.959 698 HG SER 85 HG SER 85 -7.802 -14.416 -2.766 699 H ILE 86 H ILE 86 -3.841 -12.598 -2.650 700 HA ILE 86 HA ILE 86 -2.477 -11.729 -5.002 701 HB ILE 86 HB ILE 86 -2.222 -10.730 -2.124 702 HG12 ILE 86 2HG1 ILE 86 -4.537 -10.523 -2.887 703 HG13 ILE 86 3HG1 ILE 86 -3.818 -8.923 -2.849 704 HG21 ILE 86 1HG2 ILE 86 -1.383 -8.611 -3.106 705 HG22 ILE 86 2HG2 ILE 86 -1.376 -9.362 -4.703 706 HG23 ILE 86 3HG2 ILE 86 -0.306 -9.970 -3.439 707 HD11 ILE 86 1HD1 ILE 86 -3.565 -9.004 -5.303 708 HD12 ILE 86 2HD1 ILE 86 -5.239 -9.195 -4.780 709 HD13 ILE 86 3HD1 ILE 86 -4.321 -10.602 -5.312 710 H ARG 87 H ARG 87 -1.503 -13.591 -2.159 711 HA ARG 87 HA ARG 87 1.324 -13.500 -2.555 712 HB2 ARG 87 2HB ARG 87 -0.426 -15.491 -1.050 713 HB3 ARG 87 3HB ARG 87 1.336 -15.555 -1.049 714 HG2 ARG 87 2HG ARG 87 1.361 -13.245 -0.077 715 HG3 ARG 87 3HG ARG 87 -0.395 -13.326 0.048 716 HD2 ARG 87 2HD ARG 87 1.578 -15.171 1.432 717 HD3 ARG 87 3HD ARG 87 0.681 -13.852 2.186 718 HE ARG 87 HE ARG 87 -0.705 -16.175 0.982 719 HH11 ARG 87 1HH1 ARG 87 -0.119 -14.149 3.813 720 HH12 ARG 87 2HH1 ARG 87 -1.364 -14.909 4.756 721 HH21 ARG 87 1HH2 ARG 87 -2.303 -17.183 2.270 722 HH22 ARG 87 2HH2 ARG 87 -2.589 -16.613 3.885 723 H LYS 88 H LYS 88 -1.195 -15.792 -3.666 724 HA LYS 88 HA LYS 88 0.777 -17.639 -4.736 725 HB2 LYS 88 2HB LYS 88 -1.136 -19.022 -5.454 726 HB3 LYS 88 3HB LYS 88 -1.225 -18.584 -3.756 727 HG2 LYS 88 2HG LYS 88 -2.919 -16.853 -4.302 728 HG3 LYS 88 3HG LYS 88 -2.860 -17.352 -5.997 729 HD2 LYS 88 2HD LYS 88 -3.627 -19.631 -5.349 730 HD3 LYS 88 3HD LYS 88 -3.681 -19.134 -3.655 731 HE2 LYS 88 2HE LYS 88 -5.452 -17.509 -4.176 732 HE3 LYS 88 3HE LYS 88 -5.365 -17.941 -5.885 733 HZ1 LYS 88 1HZ LYS 88 -6.075 -20.187 -5.311 734 HZ2 LYS 88 2HZ LYS 88 -7.208 -19.044 -4.791 735 HZ3 LYS 88 3HZ LYS 88 -6.164 -19.765 -3.675 736 H GLN 89 H GLN 89 -1.476 -15.247 -6.098 737 HA GLN 89 HA GLN 89 -0.866 -15.777 -8.841 738 HB2 GLN 89 2HB GLN 89 -2.018 -13.291 -7.494 739 HB3 GLN 89 3HB GLN 89 -1.906 -13.499 -9.239 740 HG2 GLN 89 2HG GLN 89 -3.451 -15.393 -9.147 741 HG3 GLN 89 3HG GLN 89 -3.515 -15.285 -7.387 742 HE21 GLN 89 1HE2 GLN 89 -4.670 -13.549 -6.439 743 HE22 GLN 89 2HE2 GLN 89 -5.813 -12.612 -7.328 744 H TYR 90 H TYR 90 0.462 -13.555 -6.400 745 HA TYR 90 HA TYR 90 2.666 -12.801 -8.253 746 HB2 TYR 90 2HB TYR 90 1.644 -11.000 -6.011 747 HB3 TYR 90 3HB TYR 90 2.654 -10.561 -7.387 748 HD1 TYR 90 HD1 TYR 90 1.564 -10.590 -9.747 749 HD2 TYR 90 HD2 TYR 90 -0.729 -10.804 -6.144 750 HE1 TYR 90 HE1 TYR 90 -0.470 -9.977 -10.991 751 HE2 TYR 90 HE2 TYR 90 -2.752 -10.187 -7.387 752 HH TYR 90 HH TYR 90 -2.874 -10.172 -10.810 753 HA PRO 91 HA PRO 91 4.558 -15.191 -4.816 754 HB2 PRO 91 2HB PRO 91 6.999 -15.648 -6.015 755 HB3 PRO 91 3HB PRO 91 5.532 -16.559 -6.429 756 HG2 PRO 91 2HG PRO 91 6.741 -14.205 -7.861 757 HG3 PRO 91 3HG PRO 91 6.134 -15.738 -8.535 758 HD2 PRO 91 2HD PRO 91 4.627 -13.495 -8.587 759 HD3 PRO 91 3HD PRO 91 3.894 -15.095 -8.346 760 H LYS 92 H LYS 92 5.994 -12.322 -6.345 761 HA LYS 92 HA LYS 92 7.951 -12.016 -4.145 762 HB2 LYS 92 2HB LYS 92 7.849 -10.592 -6.833 763 HB3 LYS 92 3HB LYS 92 9.167 -10.547 -5.666 764 HG2 LYS 92 2HG LYS 92 9.492 -13.013 -6.037 765 HG3 LYS 92 3HG LYS 92 8.278 -12.935 -7.310 766 HD2 LYS 92 2HD LYS 92 10.935 -11.439 -7.294 767 HD3 LYS 92 3HD LYS 92 10.578 -12.897 -8.214 768 HE2 LYS 92 2HE LYS 92 10.413 -11.117 -9.769 769 HE3 LYS 92 3HE LYS 92 8.746 -11.540 -9.391 770 HZ1 LYS 92 1HZ LYS 92 8.580 -9.620 -7.974 771 HZ2 LYS 92 2HZ LYS 92 9.194 -9.118 -9.464 772 HZ3 LYS 92 3HZ LYS 92 10.228 -9.281 -8.139 773 H VAL 93 H VAL 93 4.922 -11.030 -4.353 774 HA VAL 93 HA VAL 93 5.236 -8.171 -3.822 775 HB VAL 93 HB VAL 93 3.216 -9.081 -5.009 776 HG11 VAL 93 1HG1 VAL 93 2.448 -10.302 -2.337 777 HG12 VAL 93 2HG1 VAL 93 2.964 -11.191 -3.767 778 HG13 VAL 93 3HG1 VAL 93 1.455 -10.281 -3.799 779 HG21 VAL 93 1HG2 VAL 93 1.509 -7.751 -3.824 780 HG22 VAL 93 2HG2 VAL 93 3.049 -6.897 -3.899 781 HG23 VAL 93 3HG2 VAL 93 2.547 -7.674 -2.397 782 H GLU 94 H GLU 94 5.055 -7.197 -1.711 783 HA GLU 94 HA GLU 94 5.217 -8.984 0.618 784 HB2 GLU 94 2HB GLU 94 5.436 -5.938 0.411 785 HB3 GLU 94 3HB GLU 94 5.598 -6.854 1.905 786 HG2 GLU 94 2HG GLU 94 7.434 -7.025 -0.499 787 HG3 GLU 94 3HG GLU 94 7.783 -6.192 1.015 788 H THR 95 H THR 95 3.290 -9.650 1.408 789 HA THR 95 HA THR 95 0.976 -7.782 1.437 790 HB THR 95 HB THR 95 -0.505 -9.785 1.479 791 HG1 THR 95 HG1 THR 95 1.677 -11.420 0.763 792 HG21 THR 95 1HG2 THR 95 1.409 -9.827 -0.877 793 HG22 THR 95 2HG2 THR 95 -0.022 -8.804 -0.727 794 HG23 THR 95 3HG2 THR 95 -0.197 -10.556 -0.847 795 H ARG 96 H ARG 96 -0.280 -7.763 3.284 796 HA ARG 96 HA ARG 96 0.159 -9.505 5.529 797 HB2 ARG 96 2HB ARG 96 1.967 -7.846 5.913 798 HB3 ARG 96 3HB ARG 96 0.814 -6.524 5.770 799 HG2 ARG 96 2HG ARG 96 -0.323 -7.272 7.823 800 HG3 ARG 96 3HG ARG 96 0.787 -8.637 7.956 801 HD2 ARG 96 2HD ARG 96 2.671 -7.117 8.283 802 HD3 ARG 96 3HD ARG 96 1.619 -5.718 8.033 803 HE ARG 96 HE ARG 96 0.581 -7.218 10.159 804 HH11 ARG 96 1HH1 ARG 96 3.448 -5.279 9.477 805 HH12 ARG 96 2HH1 ARG 96 3.679 -4.815 11.132 806 HH21 ARG 96 1HH2 ARG 96 0.876 -6.578 12.307 807 HH22 ARG 96 2HH2 ARG 96 2.211 -5.559 12.737 808 H ARG 97 H ARG 97 -1.813 -9.739 6.558 809 HA ARG 97 HA ARG 97 -4.116 -8.296 5.689 810 HB2 ARG 97 2HB ARG 97 -4.243 -10.637 6.619 811 HB3 ARG 97 3HB ARG 97 -3.850 -9.997 8.211 812 HG2 ARG 97 2HG ARG 97 -5.967 -8.479 7.856 813 HG3 ARG 97 3HG ARG 97 -6.387 -9.642 6.599 814 HD2 ARG 97 2HD ARG 97 -7.507 -10.209 8.685 815 HD3 ARG 97 3HD ARG 97 -6.320 -11.460 8.292 816 HE ARG 97 HE ARG 97 -4.809 -10.161 9.903 817 HH11 ARG 97 1HH1 ARG 97 -8.300 -10.418 10.397 818 HH12 ARG 97 2HH1 ARG 97 -8.175 -10.216 12.118 819 HH21 ARG 97 1HH2 ARG 97 -4.697 -9.868 12.144 820 HH22 ARG 97 2HH2 ARG 97 -6.149 -9.907 13.100 821 H ALA 98 H ALA 98 -5.091 -6.569 6.565 822 HA ALA 98 HA ALA 98 -4.474 -5.599 9.251 823 HB1 ALA 98 1HB ALA 98 -4.077 -3.292 8.448 824 HB2 ALA 98 2HB ALA 98 -4.169 -3.843 6.772 825 HB3 ALA 98 3HB ALA 98 -2.855 -4.396 7.814 826 H GLN 99 H GLN 99 -6.468 -5.466 10.109 827 HA GLN 99 HA GLN 99 -8.800 -4.903 8.375 828 HB2 GLN 99 2HB GLN 99 -8.675 -5.952 11.242 829 HB3 GLN 99 3HB GLN 99 -10.174 -5.566 10.397 830 HG2 GLN 99 2HG GLN 99 -9.569 -7.263 8.655 831 HG3 GLN 99 3HG GLN 99 -8.173 -7.717 9.631 832 HE21 GLN 99 1HE2 GLN 99 -10.533 -9.288 8.799 833 HE22 GLN 99 2HE2 GLN 99 -11.233 -9.890 10.262 834 H ASP 100 H ASP 100 -7.525 -3.886 11.535 835 HA ASP 100 HA ASP 100 -9.137 -1.445 11.478 836 HB2 ASP 100 2HB ASP 100 -8.860 -3.042 13.530 837 HB3 ASP 100 3HB ASP 100 -7.272 -2.309 13.731 838 H LYS 101 H LYS 101 -8.132 0.581 12.087 839 HA LYS 101 HA LYS 101 -6.149 1.406 10.274 840 HB2 LYS 101 2HB LYS 101 -6.447 3.615 11.311 841 HB3 LYS 101 3HB LYS 101 -7.997 2.815 11.088 842 HG2 LYS 101 2HG LYS 101 -7.598 2.045 13.622 843 HG3 LYS 101 3HG LYS 101 -6.539 3.455 13.647 844 HD2 LYS 101 2HD LYS 101 -8.727 4.115 14.457 845 HD3 LYS 101 3HD LYS 101 -8.478 4.860 12.874 846 HE2 LYS 101 2HE LYS 101 -9.831 3.050 11.839 847 HE3 LYS 101 3HE LYS 101 -10.090 2.351 13.442 848 HZ1 LYS 101 1HZ LYS 101 -10.976 5.061 12.575 849 HZ2 LYS 101 2HZ LYS 101 -11.244 4.381 14.094 850 HZ3 LYS 101 3HZ LYS 101 -11.975 3.706 12.729 851 H GLU 102 H GLU 102 -5.963 0.552 13.687 852 HA GLU 102 HA GLU 102 -3.358 1.564 14.239 853 HB2 GLU 102 2HB GLU 102 -3.495 0.067 16.267 854 HB3 GLU 102 3HB GLU 102 -4.855 1.169 16.075 855 HG2 GLU 102 2HG GLU 102 -6.166 -0.734 15.055 856 HG3 GLU 102 3HG GLU 102 -4.820 -1.802 15.483 857 H GLU 103 H GLU 103 -4.566 -1.630 13.231 858 HA GLU 103 HA GLU 103 -2.159 -3.049 13.091 859 HB2 GLU 103 2HB GLU 103 -4.575 -3.384 11.254 860 HB3 GLU 103 3HB GLU 103 -3.319 -4.584 11.551 861 HG2 GLU 103 2HG GLU 103 -4.050 -4.652 13.961 862 HG3 GLU 103 3HG GLU 103 -5.386 -3.581 13.533 863 H VAL 104 H VAL 104 -3.727 -0.904 10.755 864 HA VAL 104 HA VAL 104 -2.057 -1.453 8.528 865 HB VAL 104 HB VAL 104 -3.713 1.058 9.070 866 HG11 VAL 104 1HG1 VAL 104 -3.650 1.409 6.626 867 HG12 VAL 104 2HG1 VAL 104 -2.596 0.011 6.443 868 HG13 VAL 104 3HG1 VAL 104 -2.027 1.435 7.313 869 HG21 VAL 104 1HG2 VAL 104 -5.453 -0.002 7.670 870 HG22 VAL 104 2HG2 VAL 104 -5.108 -0.964 9.106 871 HG23 VAL 104 3HG2 VAL 104 -4.466 -1.460 7.541 872 H LYS 105 H LYS 105 -2.025 1.264 10.908 873 HA LYS 105 HA LYS 105 0.179 2.554 9.651 874 HB2 LYS 105 2HB LYS 105 0.246 4.050 11.641 875 HB3 LYS 105 3HB LYS 105 -1.335 3.941 10.885 876 HG2 LYS 105 2HG LYS 105 -2.063 2.382 12.685 877 HG3 LYS 105 3HG LYS 105 -0.488 2.587 13.467 878 HD2 LYS 105 2HD LYS 105 -0.915 4.995 13.751 879 HD3 LYS 105 3HD LYS 105 -2.442 4.854 12.880 880 HE2 LYS 105 2HE LYS 105 -3.363 3.452 14.663 881 HE3 LYS 105 3HE LYS 105 -1.823 3.490 15.522 882 HZ1 LYS 105 1HZ LYS 105 -2.083 5.897 15.762 883 HZ2 LYS 105 2HZ LYS 105 -3.373 5.058 16.467 884 HZ3 LYS 105 3HZ LYS 105 -3.578 5.824 14.974 885 H ASP 106 H ASP 106 0.027 0.257 12.392 886 HA ASP 106 HA ASP 106 2.796 0.249 12.971 887 HB2 ASP 106 2HB ASP 106 0.705 -1.947 13.242 888 HB3 ASP 106 3HB ASP 106 2.362 -2.142 13.812 889 H ALA 107 H ALA 107 0.915 -1.474 10.510 890 HA ALA 107 HA ALA 107 2.949 -3.166 9.512 891 HB1 ALA 107 1HB ALA 107 1.476 -3.423 7.543 892 HB2 ALA 107 2HB ALA 107 0.503 -2.054 8.087 893 HB3 ALA 107 3HB ALA 107 0.558 -3.534 9.046 894 H VAL 108 H VAL 108 1.893 0.092 8.627 895 HA VAL 108 HA VAL 108 3.560 0.557 6.385 896 HB VAL 108 HB VAL 108 2.235 2.483 8.361 897 HG11 VAL 108 1HG1 VAL 108 3.594 3.206 5.735 898 HG12 VAL 108 2HG1 VAL 108 4.136 3.663 7.349 899 HG13 VAL 108 3HG1 VAL 108 2.619 4.299 6.718 900 HG21 VAL 108 1HG2 VAL 108 1.437 1.686 5.534 901 HG22 VAL 108 2HG2 VAL 108 0.565 2.809 6.579 902 HG23 VAL 108 3HG2 VAL 108 0.681 1.107 7.017 903 H GLU 109 H GLU 109 3.885 1.340 9.824 904 HA GLU 109 HA GLU 109 6.243 2.803 9.834 905 HB2 GLU 109 2HB GLU 109 4.592 2.492 11.741 906 HB3 GLU 109 3HB GLU 109 5.297 0.906 12.025 907 HG2 GLU 109 2HG GLU 109 7.519 2.093 12.382 908 HG3 GLU 109 3HG GLU 109 6.623 3.612 12.358 909 H GLU 110 H GLU 110 5.754 -0.713 10.223 910 HA GLU 110 HA GLU 110 8.519 -1.393 10.561 911 HB2 GLU 110 2HB GLU 110 6.075 -3.087 9.924 912 HB3 GLU 110 3HB GLU 110 7.676 -3.767 10.220 913 HG2 GLU 110 2HG GLU 110 7.668 -2.757 12.489 914 HG3 GLU 110 3HG GLU 110 6.046 -2.130 12.192 915 H PHE 111 H PHE 111 6.346 -1.263 7.779 916 HA PHE 111 HA PHE 111 7.911 -2.642 5.874 917 HB2 PHE 111 2HB PHE 111 5.513 -2.087 5.517 918 HB3 PHE 111 3HB PHE 111 5.895 -0.373 5.465 919 HD1 PHE 111 HD1 PHE 111 7.060 -3.515 3.734 920 HD2 PHE 111 HD2 PHE 111 5.824 0.551 3.302 921 HE1 PHE 111 HE1 PHE 111 7.280 -3.709 1.299 922 HE2 PHE 111 HE2 PHE 111 6.055 0.356 0.860 923 HZ PHE 111 HZ PHE 111 6.782 -1.771 -0.149 924 H LEU 112 H LEU 112 7.923 0.681 7.037 925 HA LEU 112 HA LEU 112 9.881 1.613 5.119 926 HB2 LEU 112 2HB LEU 112 8.844 3.024 7.603 927 HB3 LEU 112 3HB LEU 112 9.689 3.763 6.248 928 HG LEU 112 HG LEU 112 6.887 2.597 6.252 929 HD11 LEU 112 1HD1 LEU 112 7.006 4.826 7.171 930 HD12 LEU 112 2HD1 LEU 112 6.173 4.843 5.620 931 HD13 LEU 112 3HD1 LEU 112 7.842 5.412 5.731 932 HD21 LEU 112 1HD2 LEU 112 8.429 3.575 3.841 933 HD22 LEU 112 2HD2 LEU 112 6.709 3.177 3.872 934 HD23 LEU 112 3HD2 LEU 112 7.905 1.919 4.161 935 H LYS 113 H LYS 113 9.942 0.833 8.649 936 HA LYS 113 HA LYS 113 12.615 1.687 9.088 937 HB2 LYS 113 2HB LYS 113 10.917 -0.289 10.664 938 HB3 LYS 113 3HB LYS 113 12.514 0.246 11.183 939 HG2 LYS 113 2HG LYS 113 11.582 2.633 11.141 940 HG3 LYS 113 3HG LYS 113 9.984 1.903 10.948 941 HD2 LYS 113 2HD LYS 113 10.432 0.595 13.089 942 HD3 LYS 113 3HD LYS 113 11.902 1.552 13.289 943 HE2 LYS 113 2HE LYS 113 9.053 2.582 13.264 944 HE3 LYS 113 3HE LYS 113 10.123 2.488 14.655 945 HZ1 LYS 113 1HZ LYS 113 11.540 4.145 13.632 946 HZ2 LYS 113 2HZ LYS 113 9.959 4.727 13.774 947 HZ3 LYS 113 3HZ LYS 113 10.536 4.211 12.272 948 H GLU 114 H GLU 114 11.267 -1.344 7.985 949 HA GLU 114 HA GLU 114 13.890 -2.676 7.994 950 HB2 GLU 114 2HB GLU 114 11.114 -3.745 7.310 951 HB3 GLU 114 3HB GLU 114 12.588 -4.707 7.386 952 HG2 GLU 114 2HG GLU 114 11.276 -3.263 9.707 953 HG3 GLU 114 3HG GLU 114 11.242 -5.000 9.409 954 H GLY 115 H GLY 115 11.776 -0.970 5.868 955 HA2 GLY 115 2HA GLY 115 11.994 -0.340 3.671 956 HA3 GLY 115 3HA GLY 115 13.546 -1.161 3.619 957 H GLY 116 H GLY 116 10.976 -3.142 4.672 958 HA2 GLY 116 2HA GLY 116 9.962 -4.181 2.250 959 HA3 GLY 116 3HA GLY 116 11.398 -5.099 2.707 960 H SER 117 H SER 117 11.232 -6.620 4.320 961 HA SER 117 HA SER 117 8.761 -7.765 4.844 962 HB2 SER 117 2HB SER 117 10.071 -9.232 6.471 963 HB3 SER 117 3HB SER 117 10.724 -9.130 4.836 964 HG SER 117 HG SER 117 11.665 -7.302 6.741 965 H LEU 118 H LEU 118 7.195 -7.268 6.162 966 HA LEU 118 HA LEU 118 7.446 -5.413 8.412 967 HB2 LEU 118 2HB LEU 118 4.996 -6.907 7.375 968 HB3 LEU 118 3HB LEU 118 4.994 -5.616 8.563 969 HG LEU 118 HG LEU 118 5.804 -4.040 6.720 970 HD11 LEU 118 1HD1 LEU 118 5.072 -6.322 4.870 971 HD12 LEU 118 2HD1 LEU 118 6.699 -5.696 5.142 972 HD13 LEU 118 3HD1 LEU 118 5.478 -4.667 4.397 973 HD21 LEU 118 1HD2 LEU 118 3.476 -4.174 7.497 974 HD22 LEU 118 2HD2 LEU 118 3.139 -5.395 6.265 975 HD23 LEU 118 3HD2 LEU 118 3.603 -3.761 5.796 976 H GLU 119 H GLU 119 7.121 -8.742 7.749 977 HA GLU 119 HA GLU 119 6.512 -9.542 10.524 978 HB2 GLU 119 2HB GLU 119 5.762 -11.735 9.164 979 HB3 GLU 119 3HB GLU 119 4.684 -10.367 9.351 980 HG2 GLU 119 2HG GLU 119 4.628 -11.280 7.080 981 HG3 GLU 119 3HG GLU 119 5.166 -9.603 7.098 982 H HIS 120 H HIS 120 7.174 -12.326 9.982 983 HA HIS 120 HA HIS 120 8.816 -13.742 10.506 984 HB2 HIS 120 2HB HIS 120 10.915 -11.790 9.465 985 HB3 HIS 120 3HB HIS 120 11.119 -13.507 9.762 986 HD1 HIS 120 HD1 HIS 120 9.526 -15.053 8.062 987 HD2 HIS 120 HD2 HIS 120 10.506 -11.206 6.854 988 HE1 HIS 120 HE1 HIS 120 9.205 -15.031 5.574 989 HE2 HIS 120 HE2 HIS 120 9.618 -12.644 4.908 990 H HIS 121 H HIS 121 10.310 -10.526 11.041 991 HA HIS 121 HA HIS 121 11.139 -11.083 13.708 992 HB2 HIS 121 2HB HIS 121 11.933 -8.841 13.796 993 HB3 HIS 121 3HB HIS 121 12.169 -9.353 12.137 994 HD1 HIS 121 HD1 HIS 121 11.752 -6.378 13.499 995 HD2 HIS 121 HD2 HIS 121 9.169 -8.435 10.976 996 HE1 HIS 121 HE1 HIS 121 10.302 -4.633 12.440 997 HE2 HIS 121 HE2 HIS 121 8.577 -5.935 11.179 998 H HIS 122 H HIS 122 10.213 -10.591 15.655 999 HA HIS 122 HA HIS 122 8.712 -10.135 17.273 1000 HB2 HIS 122 2HB HIS 122 8.943 -7.796 16.275 1001 HB3 HIS 122 3HB HIS 122 7.469 -8.099 15.368 1002 HD1 HIS 122 HD1 HIS 122 6.187 -6.204 16.539 1003 HD2 HIS 122 HD2 HIS 122 7.679 -9.036 19.191 1004 HE1 HIS 122 HE1 HIS 122 5.117 -5.687 18.753 1005 HE2 HIS 122 HE2 HIS 122 6.061 -7.393 20.340 1006 H HIS 123 H HIS 123 8.092 -12.124 15.070 1007 HA HIS 123 HA HIS 123 5.215 -12.528 15.726 1008 HB2 HIS 123 2HB HIS 123 6.803 -13.339 13.249 1009 HB3 HIS 123 3HB HIS 123 5.304 -14.154 13.681 1010 HD1 HIS 123 HD1 HIS 123 3.518 -13.316 12.226 1011 HD2 HIS 123 HD2 HIS 123 6.112 -10.264 13.309 1012 HE1 HIS 123 HE1 HIS 123 2.614 -11.256 11.143 1013 HE2 HIS 123 HE2 HIS 123 4.033 -9.400 12.054 1014 H HIS 124 H HIS 124 5.191 -13.800 17.459 1015 HA HIS 124 HA HIS 124 7.290 -15.469 18.328 1016 HB2 HIS 124 2HB HIS 124 4.808 -14.466 19.434 1017 HB3 HIS 124 3HB HIS 124 4.809 -16.203 19.674 1018 HD1 HIS 124 HD1 HIS 124 5.084 -16.020 22.206 1019 HD2 HIS 124 HD2 HIS 124 8.140 -14.151 20.100 1020 HE1 HIS 124 HE1 HIS 124 6.836 -15.456 23.914 1021 HE2 HIS 124 HE2 HIS 124 8.746 -14.525 22.575 1022 H HIS 125 H HIS 125 7.793 -17.053 16.829 1023 HA HIS 125 HA HIS 125 5.825 -19.204 16.309 1024 HB2 HIS 125 2HB HIS 125 8.527 -18.603 15.007 1025 HB3 HIS 125 3HB HIS 125 7.585 -20.053 14.677 1026 HD1 HIS 125 HD1 HIS 125 7.698 -16.389 13.979 1027 HD2 HIS 125 HD2 HIS 125 5.339 -19.674 13.029 1028 HE1 HIS 125 HE1 HIS 125 6.228 -15.644 12.092 1029 HE2 HIS 125 HE2 HIS 125 4.923 -17.689 11.437 Start of MODEL 14 1 H1 MET 1 1H MET 1 16.710 10.235 -4.828 2 H2 MET 1 2H MET 1 17.053 11.485 -5.910 3 H3 MET 1 3H MET 1 16.787 9.919 -6.487 4 HA MET 1 HA MET 1 14.796 11.628 -5.119 5 HB2 MET 1 2HB MET 1 15.375 12.411 -7.412 6 HB3 MET 1 3HB MET 1 15.013 10.818 -8.053 7 HG2 MET 1 2HG MET 1 13.132 12.105 -8.602 8 HG3 MET 1 3HG MET 1 12.619 11.208 -7.178 9 HE1 MET 1 1HE MET 1 12.957 12.513 -4.577 10 HE2 MET 1 2HE MET 1 11.346 12.371 -5.284 11 HE3 MET 1 3HE MET 1 11.868 13.899 -4.576 12 H GLY 2 H GLY 2 13.883 10.153 -3.777 13 HA2 GLY 2 2HA GLY 2 12.684 7.695 -4.951 14 HA3 GLY 2 3HA GLY 2 13.135 7.883 -3.258 15 H LYS 3 H LYS 3 10.728 7.140 -3.225 16 HA LYS 3 HA LYS 3 9.048 9.332 -2.533 17 HB2 LYS 3 2HB LYS 3 8.908 9.463 -5.053 18 HB3 LYS 3 3HB LYS 3 8.267 7.826 -5.077 19 HG2 LYS 3 2HG LYS 3 6.464 9.444 -5.331 20 HG3 LYS 3 3HG LYS 3 6.289 8.583 -3.796 21 HD2 LYS 3 2HD LYS 3 7.388 10.518 -2.643 22 HD3 LYS 3 3HD LYS 3 7.429 11.373 -4.187 23 HE2 LYS 3 2HE LYS 3 4.965 11.329 -4.270 24 HE3 LYS 3 3HE LYS 3 4.929 10.454 -2.733 25 HZ1 LYS 3 1HZ LYS 3 6.035 13.183 -3.147 26 HZ2 LYS 3 2HZ LYS 3 6.024 12.347 -1.682 27 HZ3 LYS 3 3HZ LYS 3 4.567 12.816 -2.395 28 H VAL 4 H VAL 4 8.294 8.394 -0.706 29 HA VAL 4 HA VAL 4 7.170 5.683 -0.706 30 HB VAL 4 HB VAL 4 7.244 7.695 1.609 31 HG11 VAL 4 1HG1 VAL 4 6.815 4.681 1.624 32 HG12 VAL 4 2HG1 VAL 4 5.576 5.912 1.877 33 HG13 VAL 4 3HG1 VAL 4 6.881 5.726 3.048 34 HG21 VAL 4 1HG2 VAL 4 9.267 5.496 1.032 35 HG22 VAL 4 2HG2 VAL 4 9.230 6.520 2.470 36 HG23 VAL 4 3HG2 VAL 4 9.549 7.232 0.888 37 H VAL 5 H VAL 5 5.091 5.501 -1.355 38 HA VAL 5 HA VAL 5 3.143 7.662 -0.741 39 HB VAL 5 HB VAL 5 3.172 5.730 -3.127 40 HG11 VAL 5 1HG1 VAL 5 0.857 6.001 -2.325 41 HG12 VAL 5 2HG1 VAL 5 1.080 6.796 -3.881 42 HG13 VAL 5 3HG1 VAL 5 1.014 7.759 -2.401 43 HG21 VAL 5 1HG2 VAL 5 4.678 7.657 -3.398 44 HG22 VAL 5 2HG2 VAL 5 3.356 8.771 -3.042 45 HG23 VAL 5 3HG2 VAL 5 3.306 7.780 -4.503 46 H PHE 6 H PHE 6 1.500 7.057 0.577 47 HA PHE 6 HA PHE 6 0.776 4.200 0.773 48 HB2 PHE 6 2HB PHE 6 1.245 5.316 2.949 49 HB3 PHE 6 3HB PHE 6 -0.016 6.502 2.618 50 HD1 PHE 6 HD1 PHE 6 0.556 2.833 2.981 51 HD2 PHE 6 HD2 PHE 6 -2.260 6.033 3.294 52 HE1 PHE 6 HE1 PHE 6 -1.095 1.283 3.924 53 HE2 PHE 6 HE2 PHE 6 -3.905 4.476 4.247 54 HZ PHE 6 HZ PHE 6 -3.323 2.101 4.552 55 H LEU 7 H LEU 7 -0.805 3.674 -0.556 56 HA LEU 7 HA LEU 7 -2.990 5.559 -1.180 57 HB2 LEU 7 2HB LEU 7 -1.844 4.503 -3.100 58 HB3 LEU 7 3HB LEU 7 -2.168 2.908 -2.441 59 HG LEU 7 HG LEU 7 -4.606 3.267 -2.778 60 HD11 LEU 7 1HD1 LEU 7 -4.735 5.689 -2.580 61 HD12 LEU 7 2HD1 LEU 7 -5.418 5.166 -4.117 62 HD13 LEU 7 3HD1 LEU 7 -3.809 5.892 -4.071 63 HD21 LEU 7 1HD2 LEU 7 -4.602 3.062 -5.218 64 HD22 LEU 7 2HD2 LEU 7 -3.280 2.140 -4.509 65 HD23 LEU 7 3HD2 LEU 7 -2.954 3.691 -5.289 66 H SER 8 H SER 8 -5.036 5.163 -0.362 67 HA SER 8 HA SER 8 -5.909 2.492 0.347 68 HB2 SER 8 2HB SER 8 -4.907 3.184 2.486 69 HB3 SER 8 3HB SER 8 -5.782 4.711 2.442 70 HG SER 8 HG SER 8 -6.770 2.106 2.910 71 H ASP 9 H ASP 9 -8.239 2.447 0.760 72 HA ASP 9 HA ASP 9 -9.701 4.636 -0.589 73 HB2 ASP 9 2HB ASP 9 -10.009 2.263 -1.396 74 HB3 ASP 9 3HB ASP 9 -10.695 1.853 0.174 75 H ASP 10 H ASP 10 -9.200 3.070 2.429 76 HA ASP 10 HA ASP 10 -11.698 3.845 3.680 77 HB2 ASP 10 2HB ASP 10 -9.260 2.667 5.043 78 HB3 ASP 10 3HB ASP 10 -10.939 2.538 5.539 79 H GLN 11 H GLN 11 -11.969 5.848 4.504 80 HA GLN 11 HA GLN 11 -10.106 7.882 4.366 81 HB2 GLN 11 2HB GLN 11 -12.540 8.292 4.441 82 HB3 GLN 11 3HB GLN 11 -12.591 7.799 6.128 83 HG2 GLN 11 2HG GLN 11 -12.672 10.224 5.975 84 HG3 GLN 11 3HG GLN 11 -11.155 9.738 6.730 85 HE21 GLN 11 1HE2 GLN 11 -9.203 10.072 5.588 86 HE22 GLN 11 2HE2 GLN 11 -9.118 11.115 4.213 87 H GLU 12 H GLU 12 -11.117 6.129 7.340 88 HA GLU 12 HA GLU 12 -9.604 7.550 9.215 89 HB2 GLU 12 2HB GLU 12 -10.378 4.593 9.273 90 HB3 GLU 12 3HB GLU 12 -9.723 5.477 10.651 91 HG2 GLU 12 2HG GLU 12 -11.693 6.986 10.595 92 HG3 GLU 12 3HG GLU 12 -12.353 6.052 9.252 93 H ILE 13 H ILE 13 -8.791 4.475 7.664 94 HA ILE 13 HA ILE 13 -6.234 3.995 8.367 95 HB ILE 13 HB ILE 13 -7.439 3.680 5.586 96 HG12 ILE 13 2HG1 ILE 13 -8.695 2.539 7.448 97 HG13 ILE 13 3HG1 ILE 13 -8.060 1.424 6.247 98 HG21 ILE 13 1HG2 ILE 13 -5.767 1.924 5.197 99 HG22 ILE 13 2HG2 ILE 13 -4.996 2.304 6.737 100 HG23 ILE 13 3HG2 ILE 13 -5.015 3.499 5.440 101 HD11 ILE 13 1HD1 ILE 13 -6.841 1.963 8.943 102 HD12 ILE 13 2HD1 ILE 13 -6.271 0.796 7.749 103 HD13 ILE 13 3HD1 ILE 13 -7.844 0.582 8.512 104 H ILE 14 H ILE 14 -7.151 6.123 5.608 105 HA ILE 14 HA ILE 14 -4.593 6.831 4.708 106 HB ILE 14 HB ILE 14 -7.147 8.518 4.632 107 HG12 ILE 14 2HG1 ILE 14 -5.971 6.624 2.536 108 HG13 ILE 14 3HG1 ILE 14 -7.391 6.301 3.523 109 HG21 ILE 14 1HG2 ILE 14 -5.160 9.925 4.230 110 HG22 ILE 14 2HG2 ILE 14 -6.110 9.751 2.756 111 HG23 ILE 14 3HG2 ILE 14 -4.621 8.825 2.960 112 HD11 ILE 14 1HD1 ILE 14 -8.028 6.942 1.297 113 HD12 ILE 14 2HD1 ILE 14 -7.117 8.445 1.431 114 HD13 ILE 14 3HD1 ILE 14 -8.542 8.180 2.442 115 H GLU 15 H GLU 15 -6.698 8.383 7.098 116 HA GLU 15 HA GLU 15 -4.951 10.563 7.749 117 HB2 GLU 15 2HB GLU 15 -7.305 9.422 9.305 118 HB3 GLU 15 3HB GLU 15 -6.577 11.010 9.548 119 HG2 GLU 15 2HG GLU 15 -7.337 11.754 7.367 120 HG3 GLU 15 3HG GLU 15 -7.916 10.136 6.970 121 H GLU 16 H GLU 16 -5.262 7.289 8.943 122 HA GLU 16 HA GLU 16 -3.975 7.683 11.487 123 HB2 GLU 16 2HB GLU 16 -4.740 5.224 9.871 124 HB3 GLU 16 3HB GLU 16 -3.837 5.081 11.371 125 HG2 GLU 16 2HG GLU 16 -6.533 6.443 11.161 126 HG3 GLU 16 3HG GLU 16 -6.322 4.746 11.573 127 H VAL 17 H VAL 17 -2.981 6.416 8.343 128 HA VAL 17 HA VAL 17 -0.242 5.941 9.079 129 HB VAL 17 HB VAL 17 -1.611 6.073 6.349 130 HG11 VAL 17 1HG1 VAL 17 0.373 4.845 5.480 131 HG12 VAL 17 2HG1 VAL 17 1.182 5.084 7.030 132 HG13 VAL 17 3HG1 VAL 17 0.763 6.476 6.029 133 HG21 VAL 17 1HG2 VAL 17 -1.567 3.607 6.440 134 HG22 VAL 17 2HG2 VAL 17 -2.483 4.277 7.788 135 HG23 VAL 17 3HG2 VAL 17 -0.849 3.665 8.051 136 H SER 18 H SER 18 -2.049 8.581 7.539 137 HA SER 18 HA SER 18 0.152 10.203 6.814 138 HB2 SER 18 2HB SER 18 -2.192 10.468 5.956 139 HB3 SER 18 3HB SER 18 -2.670 11.111 7.525 140 HG SER 18 HG SER 18 -1.415 12.325 5.447 141 H LYS 19 H LYS 19 -1.883 10.087 9.741 142 HA LYS 19 HA LYS 19 -0.694 12.176 11.197 143 HB2 LYS 19 2HB LYS 19 -2.831 11.094 11.893 144 HB3 LYS 19 3HB LYS 19 -1.970 9.611 12.259 145 HG2 LYS 19 2HG LYS 19 -2.381 10.598 14.350 146 HG3 LYS 19 3HG LYS 19 -0.686 10.944 14.034 147 HD2 LYS 19 2HD LYS 19 -2.900 12.955 13.474 148 HD3 LYS 19 3HD LYS 19 -2.119 12.824 15.045 149 HE2 LYS 19 2HE LYS 19 0.051 13.380 14.025 150 HE3 LYS 19 3HE LYS 19 -0.717 13.486 12.440 151 HZ1 LYS 19 1HZ LYS 19 -1.193 15.250 14.778 152 HZ2 LYS 19 2HZ LYS 19 -2.150 15.273 13.389 153 HZ3 LYS 19 3HZ LYS 19 -0.513 15.677 13.289 154 H LYS 20 H LYS 20 0.021 8.690 11.070 155 HA LYS 20 HA LYS 20 2.225 8.730 12.853 156 HB2 LYS 20 2HB LYS 20 0.975 6.681 12.423 157 HB3 LYS 20 3HB LYS 20 1.425 6.705 10.721 158 HG2 LYS 20 2HG LYS 20 3.652 6.082 11.165 159 HG3 LYS 20 3HG LYS 20 3.564 6.563 12.857 160 HD2 LYS 20 2HD LYS 20 2.065 4.193 11.670 161 HD3 LYS 20 3HD LYS 20 3.624 4.087 12.487 162 HE2 LYS 20 2HE LYS 20 2.485 5.149 14.515 163 HE3 LYS 20 3HE LYS 20 0.955 4.856 13.681 164 HZ1 LYS 20 1HZ LYS 20 1.532 2.479 13.606 165 HZ2 LYS 20 2HZ LYS 20 1.458 3.051 15.194 166 HZ3 LYS 20 3HZ LYS 20 2.960 2.794 14.457 167 H ALA 21 H ALA 21 1.962 9.302 9.386 168 HA ALA 21 HA ALA 21 4.698 9.204 8.701 169 HB1 ALA 21 1HB ALA 21 2.927 9.296 7.003 170 HB2 ALA 21 2HB ALA 21 4.105 10.585 6.756 171 HB3 ALA 21 3HB ALA 21 2.531 10.949 7.475 172 H GLU 22 H GLU 22 2.651 11.848 9.944 173 HA GLU 22 HA GLU 22 4.669 13.864 9.984 174 HB2 GLU 22 2HB GLU 22 2.266 14.413 10.041 175 HB3 GLU 22 3HB GLU 22 2.096 13.626 11.608 176 HG2 GLU 22 2HG GLU 22 3.577 15.310 12.628 177 HG3 GLU 22 3HG GLU 22 3.789 16.091 11.063 178 H GLU 23 H GLU 23 3.381 11.732 12.548 179 HA GLU 23 HA GLU 23 4.807 12.651 14.741 180 HB2 GLU 23 2HB GLU 23 3.794 9.832 14.169 181 HB3 GLU 23 3HB GLU 23 4.320 10.396 15.755 182 HG2 GLU 23 2HG GLU 23 2.500 11.971 15.887 183 HG3 GLU 23 3HG GLU 23 2.028 11.668 14.217 184 H GLU 24 H GLU 24 5.667 9.985 12.534 185 HA GLU 24 HA GLU 24 8.236 9.517 13.805 186 HB2 GLU 24 2HB GLU 24 7.101 8.424 11.198 187 HB3 GLU 24 3HB GLU 24 8.554 7.843 12.004 188 HG2 GLU 24 2HG GLU 24 5.740 7.690 13.128 189 HG3 GLU 24 3HG GLU 24 6.605 6.367 12.349 190 H GLY 25 H GLY 25 7.029 11.563 11.300 191 HA2 GLY 25 2HA GLY 25 8.166 13.333 10.273 192 HA3 GLY 25 3HA GLY 25 9.701 12.601 10.712 193 H TYR 26 H TYR 26 7.643 10.302 9.344 194 HA TYR 26 HA TYR 26 9.265 9.862 7.049 195 HB2 TYR 26 2HB TYR 26 6.458 8.851 7.675 196 HB3 TYR 26 3HB TYR 26 7.453 8.257 6.359 197 HD1 TYR 26 HD1 TYR 26 10.106 7.946 7.917 198 HD2 TYR 26 HD2 TYR 26 6.073 6.861 8.850 199 HE1 TYR 26 HE1 TYR 26 10.918 6.060 9.279 200 HE2 TYR 26 HE2 TYR 26 6.893 4.992 10.222 201 HH TYR 26 HH TYR 26 8.920 3.555 10.353 202 H ASP 27 H ASP 27 9.135 10.914 5.066 203 HA ASP 27 HA ASP 27 6.832 12.512 4.316 204 HB2 ASP 27 2HB ASP 27 9.259 11.672 2.654 205 HB3 ASP 27 3HB ASP 27 8.020 12.804 2.123 206 H ILE 28 H ILE 28 5.110 11.008 4.372 207 HA ILE 28 HA ILE 28 5.080 8.972 2.195 208 HB ILE 28 HB ILE 28 3.235 8.979 4.642 209 HG12 ILE 28 2HG1 ILE 28 5.688 7.202 4.221 210 HG13 ILE 28 3HG1 ILE 28 5.605 8.553 5.346 211 HG21 ILE 28 1HG2 ILE 28 2.329 7.847 2.651 212 HG22 ILE 28 2HG2 ILE 28 2.695 6.674 3.914 213 HG23 ILE 28 3HG2 ILE 28 3.782 6.850 2.532 214 HD11 ILE 28 1HD1 ILE 28 5.304 6.497 6.534 215 HD12 ILE 28 2HD1 ILE 28 3.983 6.013 5.473 216 HD13 ILE 28 3HD1 ILE 28 3.785 7.393 6.559 217 H GLN 29 H GLN 29 3.929 9.727 0.489 218 HA GLN 29 HA GLN 29 1.882 11.758 0.697 219 HB2 GLN 29 2HB GLN 29 3.250 11.678 -1.312 220 HB3 GLN 29 3HB GLN 29 2.851 9.990 -1.589 221 HG2 GLN 29 2HG GLN 29 1.688 11.420 -3.174 222 HG3 GLN 29 3HG GLN 29 0.534 10.609 -2.120 223 HE21 GLN 29 1HE2 GLN 29 1.926 13.682 -3.009 224 HE22 GLN 29 2HE2 GLN 29 0.790 14.671 -2.167 225 H THR 30 H THR 30 0.025 11.202 1.661 226 HA THR 30 HA THR 30 -1.116 8.503 1.361 227 HB THR 30 HB THR 30 -2.735 9.397 3.193 228 HG1 THR 30 HG1 THR 30 -2.099 11.634 2.909 229 HG21 THR 30 1HG2 THR 30 -0.948 7.764 3.670 230 HG22 THR 30 2HG2 THR 30 -1.149 8.901 5.001 231 HG23 THR 30 3HG2 THR 30 0.209 9.084 3.889 232 H SER 31 H SER 31 -2.933 8.147 0.202 233 HA SER 31 HA SER 31 -4.451 10.356 -0.972 234 HB2 SER 31 2HB SER 31 -2.404 10.181 -2.383 235 HB3 SER 31 3HB SER 31 -2.735 8.473 -2.658 236 HG SER 31 HG SER 31 -3.465 9.762 -4.385 237 H ASN 32 H ASN 32 -6.293 9.654 -2.159 238 HA ASN 32 HA ASN 32 -7.102 6.809 -1.903 239 HB2 ASN 32 2HB ASN 32 -8.563 8.336 -0.616 240 HB3 ASN 32 3HB ASN 32 -8.841 9.318 -2.041 241 HD21 ASN 32 1HD2 ASN 32 -8.853 5.759 -1.969 242 HD22 ASN 32 2HD2 ASN 32 -10.536 5.591 -2.320 243 H ASP 33 H ASP 33 -6.009 9.172 -3.975 244 HA ASP 33 HA ASP 33 -7.599 8.644 -6.317 245 HB2 ASP 33 2HB ASP 33 -4.953 10.144 -6.061 246 HB3 ASP 33 3HB ASP 33 -6.031 10.177 -7.455 247 H LYS 34 H LYS 34 -7.319 6.323 -6.332 248 HA LYS 34 HA LYS 34 -4.869 4.953 -6.524 249 HB2 LYS 34 2HB LYS 34 -6.188 3.012 -7.248 250 HB3 LYS 34 3HB LYS 34 -7.067 3.865 -5.980 251 HG2 LYS 34 2HG LYS 34 -8.489 4.942 -7.690 252 HG3 LYS 34 3HG LYS 34 -7.585 4.096 -8.948 253 HD2 LYS 34 2HD LYS 34 -9.741 3.012 -8.557 254 HD3 LYS 34 3HD LYS 34 -8.415 1.936 -8.126 255 HE2 LYS 34 2HE LYS 34 -8.790 2.386 -5.752 256 HE3 LYS 34 3HE LYS 34 -10.060 3.549 -6.148 257 HZ1 LYS 34 1HZ LYS 34 -10.719 1.149 -5.530 258 HZ2 LYS 34 2HZ LYS 34 -10.260 0.753 -7.103 259 HZ3 LYS 34 3HZ LYS 34 -11.490 1.879 -6.837 260 H LYS 35 H LYS 35 -6.924 6.478 -8.930 261 HA LYS 35 HA LYS 35 -5.789 5.415 -11.291 262 HB2 LYS 35 2HB LYS 35 -7.286 8.038 -10.849 263 HB3 LYS 35 3HB LYS 35 -6.920 7.345 -12.429 264 HG2 LYS 35 2HG LYS 35 -8.286 5.361 -11.878 265 HG3 LYS 35 3HG LYS 35 -8.671 6.064 -10.304 266 HD2 LYS 35 2HD LYS 35 -9.386 7.314 -12.989 267 HD3 LYS 35 3HD LYS 35 -10.489 6.366 -11.996 268 HE2 LYS 35 2HE LYS 35 -10.266 8.046 -10.179 269 HE3 LYS 35 3HE LYS 35 -9.210 9.008 -11.217 270 HZ1 LYS 35 1HZ LYS 35 -11.506 9.812 -11.248 271 HZ2 LYS 35 2HZ LYS 35 -12.040 8.314 -11.813 272 HZ3 LYS 35 3HZ LYS 35 -11.040 9.269 -12.782 273 H GLU 36 H GLU 36 -5.152 8.415 -9.466 274 HA GLU 36 HA GLU 36 -3.182 9.511 -11.184 275 HB2 GLU 36 2HB GLU 36 -4.315 10.823 -9.363 276 HB3 GLU 36 3HB GLU 36 -3.441 9.884 -8.157 277 HG2 GLU 36 2HG GLU 36 -1.284 10.746 -9.282 278 HG3 GLU 36 3HG GLU 36 -2.315 11.885 -10.143 279 H ILE 37 H ILE 37 -3.011 7.373 -8.363 280 HA ILE 37 HA ILE 37 -0.196 7.350 -8.078 281 HB ILE 37 HB ILE 37 -2.277 5.333 -7.115 282 HG12 ILE 37 2HG1 ILE 37 -2.683 7.509 -6.119 283 HG13 ILE 37 3HG1 ILE 37 -1.938 6.504 -4.886 284 HG21 ILE 37 1HG2 ILE 37 0.625 5.603 -6.264 285 HG22 ILE 37 2HG2 ILE 37 -0.084 4.262 -7.170 286 HG23 ILE 37 3HG2 ILE 37 -0.580 4.560 -5.504 287 HD11 ILE 37 1HD1 ILE 37 -1.034 8.708 -4.755 288 HD12 ILE 37 2HD1 ILE 37 -0.639 8.722 -6.471 289 HD13 ILE 37 3HD1 ILE 37 0.233 7.649 -5.373 290 H ILE 38 H ILE 38 -2.427 5.147 -9.793 291 HA ILE 38 HA ILE 38 -0.612 3.228 -10.749 292 HB ILE 38 HB ILE 38 -3.237 4.277 -11.914 293 HG12 ILE 38 2HG1 ILE 38 -2.607 1.646 -10.495 294 HG13 ILE 38 3HG1 ILE 38 -3.336 3.048 -9.734 295 HG21 ILE 38 1HG2 ILE 38 -3.322 2.334 -13.435 296 HG22 ILE 38 2HG2 ILE 38 -1.695 1.865 -12.941 297 HG23 ILE 38 3HG2 ILE 38 -1.949 3.379 -13.806 298 HD11 ILE 38 1HD1 ILE 38 -5.276 2.828 -11.207 299 HD12 ILE 38 2HD1 ILE 38 -4.993 1.386 -10.234 300 HD13 ILE 38 3HD1 ILE 38 -4.547 1.397 -11.940 301 H ASP 39 H ASP 39 -1.550 6.386 -12.004 302 HA ASP 39 HA ASP 39 -0.179 6.354 -14.487 303 HB2 ASP 39 2HB ASP 39 -2.035 7.892 -14.055 304 HB3 ASP 39 3HB ASP 39 -1.160 8.658 -12.742 305 H ARG 40 H ARG 40 0.751 7.464 -11.241 306 HA ARG 40 HA ARG 40 3.275 8.621 -12.009 307 HB2 ARG 40 2HB ARG 40 2.354 7.744 -9.234 308 HB3 ARG 40 3HB ARG 40 3.679 8.854 -9.591 309 HG2 ARG 40 2HG ARG 40 2.104 10.498 -10.487 310 HG3 ARG 40 3HG ARG 40 0.777 9.366 -10.276 311 HD2 ARG 40 2HD ARG 40 0.661 10.956 -8.489 312 HD3 ARG 40 3HD ARG 40 1.195 9.424 -7.791 313 HE ARG 40 HE ARG 40 3.539 10.558 -8.164 314 HH11 ARG 40 1HH1 ARG 40 0.618 12.116 -6.921 315 HH12 ARG 40 2HH1 ARG 40 1.509 13.264 -5.973 316 HH21 ARG 40 1HH2 ARG 40 4.671 12.069 -6.946 317 HH22 ARG 40 2HH2 ARG 40 3.817 13.235 -5.990 318 H LEU 41 H LEU 41 2.196 5.464 -10.952 319 HA LEU 41 HA LEU 41 4.767 4.240 -10.656 320 HB2 LEU 41 2HB LEU 41 1.988 3.101 -11.116 321 HB3 LEU 41 3HB LEU 41 3.402 2.095 -10.860 322 HG LEU 41 HG LEU 41 2.416 4.108 -8.801 323 HD11 LEU 41 1HD1 LEU 41 1.804 1.132 -8.925 324 HD12 LEU 41 2HD1 LEU 41 0.654 2.447 -9.180 325 HD13 LEU 41 3HD1 LEU 41 1.392 2.226 -7.596 326 HD21 LEU 41 1HD2 LEU 41 4.363 1.790 -8.584 327 HD22 LEU 41 2HD2 LEU 41 3.810 2.799 -7.242 328 HD23 LEU 41 3HD2 LEU 41 4.760 3.512 -8.543 329 H LYS 42 H LYS 42 2.563 4.772 -13.400 330 HA LYS 42 HA LYS 42 3.913 3.198 -15.364 331 HB2 LYS 42 2HB LYS 42 2.335 5.778 -15.782 332 HB3 LYS 42 3HB LYS 42 2.850 4.690 -17.067 333 HG2 LYS 42 2HG LYS 42 1.404 2.919 -16.122 334 HG3 LYS 42 3HG LYS 42 0.856 4.050 -14.881 335 HD2 LYS 42 2HD LYS 42 0.001 5.560 -16.684 336 HD3 LYS 42 3HD LYS 42 0.481 4.357 -17.885 337 HE2 LYS 42 2HE LYS 42 -1.088 2.731 -16.818 338 HE3 LYS 42 3HE LYS 42 -1.599 4.004 -15.704 339 HZ1 LYS 42 1HZ LYS 42 -2.379 5.302 -17.584 340 HZ2 LYS 42 2HZ LYS 42 -3.113 3.782 -17.582 341 HZ3 LYS 42 3HZ LYS 42 -1.861 4.111 -18.666 342 H ARG 43 H ARG 43 4.452 6.372 -14.042 343 HA ARG 43 HA ARG 43 6.548 7.161 -15.883 344 HB2 ARG 43 2HB ARG 43 5.773 8.325 -13.168 345 HB3 ARG 43 3HB ARG 43 6.796 9.099 -14.378 346 HG2 ARG 43 2HG ARG 43 4.891 9.277 -15.911 347 HG3 ARG 43 3HG ARG 43 3.868 8.416 -14.760 348 HD2 ARG 43 2HD ARG 43 4.269 10.282 -13.110 349 HD3 ARG 43 3HD ARG 43 5.114 11.163 -14.391 350 HE ARG 43 HE ARG 43 2.323 10.278 -14.770 351 HH11 ARG 43 1HH1 ARG 43 4.601 12.964 -14.500 352 HH12 ARG 43 2HH1 ARG 43 3.443 14.142 -15.033 353 HH21 ARG 43 1HH2 ARG 43 0.841 11.814 -15.442 354 HH22 ARG 43 2HH2 ARG 43 1.300 13.486 -15.571 355 H ARG 44 H ARG 44 6.318 5.149 -13.153 356 HA ARG 44 HA ARG 44 7.708 4.076 -11.740 357 HB2 ARG 44 2HB ARG 44 9.711 4.843 -13.886 358 HB3 ARG 44 3HB ARG 44 10.251 4.052 -12.415 359 HG2 ARG 44 2HG ARG 44 10.002 2.386 -14.115 360 HG3 ARG 44 3HG ARG 44 8.746 2.147 -12.911 361 HD2 ARG 44 2HD ARG 44 7.818 1.785 -15.111 362 HD3 ARG 44 3HD ARG 44 7.122 3.265 -14.442 363 HE ARG 44 HE ARG 44 9.102 4.311 -15.836 364 HH11 ARG 44 1HH1 ARG 44 6.893 1.746 -16.843 365 HH12 ARG 44 2HH1 ARG 44 7.008 2.160 -18.524 366 HH21 ARG 44 1HH2 ARG 44 9.223 4.839 -18.031 367 HH22 ARG 44 2HH2 ARG 44 8.330 3.915 -19.200 368 H ASN 45 H ASN 45 7.107 6.976 -11.468 369 HA ASN 45 HA ASN 45 9.411 8.236 -10.241 370 HB2 ASN 45 2HB ASN 45 6.541 9.100 -10.721 371 HB3 ASN 45 3HB ASN 45 7.638 10.075 -9.756 372 HD21 ASN 45 1HD2 ASN 45 8.880 8.336 -12.551 373 HD22 ASN 45 2HD2 ASN 45 9.063 9.730 -13.550 374 H ILE 46 H ILE 46 7.377 5.914 -9.077 375 HA ILE 46 HA ILE 46 7.518 6.885 -6.278 376 HB ILE 46 HB ILE 46 5.672 4.746 -7.446 377 HG12 ILE 46 2HG1 ILE 46 5.013 7.552 -6.419 378 HG13 ILE 46 3HG1 ILE 46 5.017 7.054 -8.106 379 HG21 ILE 46 1HG2 ILE 46 6.284 4.209 -5.116 380 HG22 ILE 46 2HG2 ILE 46 4.591 4.681 -5.226 381 HG23 ILE 46 3HG2 ILE 46 5.781 5.822 -4.596 382 HD11 ILE 46 1HD1 ILE 46 3.150 5.534 -7.661 383 HD12 ILE 46 2HD1 ILE 46 2.767 7.202 -7.242 384 HD13 ILE 46 3HD1 ILE 46 3.142 6.042 -5.969 385 H ASP 47 H ASP 47 8.962 5.893 -4.992 386 HA ASP 47 HA ASP 47 10.655 3.766 -6.049 387 HB2 ASP 47 2HB ASP 47 11.794 5.623 -5.023 388 HB3 ASP 47 3HB ASP 47 10.796 5.538 -3.580 389 H MET 48 H MET 48 8.357 4.239 -3.427 390 HA MET 48 HA MET 48 7.896 1.396 -3.238 391 HB2 MET 48 2HB MET 48 8.263 1.251 -0.793 392 HB3 MET 48 3HB MET 48 9.744 1.601 -1.666 393 HG2 MET 48 2HG MET 48 9.430 4.028 -1.032 394 HG3 MET 48 3HG MET 48 8.124 3.500 0.032 395 HE1 MET 48 1HE MET 48 10.164 1.061 2.447 396 HE2 MET 48 2HE MET 48 9.529 0.551 0.884 397 HE3 MET 48 3HE MET 48 8.551 1.571 1.942 398 H ILE 49 H ILE 49 5.890 0.895 -2.349 399 HA ILE 49 HA ILE 49 4.094 3.071 -1.584 400 HB ILE 49 HB ILE 49 3.884 3.014 -4.010 401 HG12 ILE 49 2HG1 ILE 49 1.482 1.711 -2.639 402 HG13 ILE 49 3HG1 ILE 49 1.802 3.437 -2.778 403 HG21 ILE 49 1HG2 ILE 49 4.743 0.749 -4.442 404 HG22 ILE 49 2HG2 ILE 49 3.213 1.009 -5.276 405 HG23 ILE 49 3HG2 ILE 49 3.257 0.044 -3.797 406 HD11 ILE 49 1HD1 ILE 49 1.154 1.550 -5.033 407 HD12 ILE 49 2HD1 ILE 49 1.523 3.267 -5.212 408 HD13 ILE 49 3HD1 ILE 49 0.089 2.760 -4.319 409 H ILE 50 H ILE 50 2.370 2.415 -0.326 410 HA ILE 50 HA ILE 50 2.009 -0.468 0.271 411 HB ILE 50 HB ILE 50 1.933 1.834 2.296 412 HG12 ILE 50 2HG1 ILE 50 3.997 -0.410 1.992 413 HG13 ILE 50 3HG1 ILE 50 4.257 1.279 1.586 414 HG21 ILE 50 1HG2 ILE 50 1.568 -1.154 2.747 415 HG22 ILE 50 2HG2 ILE 50 0.313 0.082 2.864 416 HG23 ILE 50 3HG2 ILE 50 1.650 0.075 4.012 417 HD11 ILE 50 1HD1 ILE 50 3.784 0.165 4.343 418 HD12 ILE 50 2HD1 ILE 50 4.009 1.872 3.948 419 HD13 ILE 50 3HD1 ILE 50 5.314 0.723 3.667 420 H VAL 51 H VAL 51 -0.069 -1.078 -0.128 421 HA VAL 51 HA VAL 51 -2.184 0.988 -0.434 422 HB VAL 51 HB VAL 51 -1.948 -1.675 -1.933 423 HG11 VAL 51 1HG1 VAL 51 -3.819 -0.859 -3.321 424 HG12 VAL 51 2HG1 VAL 51 -3.945 0.596 -2.328 425 HG13 VAL 51 3HG1 VAL 51 -4.294 -0.987 -1.627 426 HG21 VAL 51 1HG2 VAL 51 -0.213 -0.106 -2.676 427 HG22 VAL 51 2HG2 VAL 51 -1.427 1.144 -2.958 428 HG23 VAL 51 3HG2 VAL 51 -1.430 -0.327 -3.934 429 H LYS 52 H LYS 52 -3.750 0.832 1.085 430 HA LYS 52 HA LYS 52 -4.549 -1.840 2.112 431 HB2 LYS 52 2HB LYS 52 -3.750 -0.561 3.984 432 HB3 LYS 52 3HB LYS 52 -4.611 0.881 3.466 433 HG2 LYS 52 2HG LYS 52 -5.677 -0.132 5.430 434 HG3 LYS 52 3HG LYS 52 -6.759 -0.139 4.039 435 HD2 LYS 52 2HD LYS 52 -6.212 -2.552 3.669 436 HD3 LYS 52 3HD LYS 52 -5.196 -2.522 5.116 437 HE2 LYS 52 2HE LYS 52 -7.438 -3.468 5.563 438 HE3 LYS 52 3HE LYS 52 -7.146 -2.008 6.508 439 HZ1 LYS 52 1HZ LYS 52 -9.350 -1.956 5.616 440 HZ2 LYS 52 2HZ LYS 52 -8.798 -2.238 4.046 441 HZ3 LYS 52 3HZ LYS 52 -8.446 -0.773 4.814 442 H THR 53 H THR 53 -6.253 -2.480 0.991 443 HA THR 53 HA THR 53 -8.782 -1.274 1.381 444 HB THR 53 HB THR 53 -8.170 0.218 -0.491 445 HG1 THR 53 HG1 THR 53 -10.297 -0.187 -0.588 446 HG21 THR 53 1HG2 THR 53 -7.810 -2.278 -2.189 447 HG22 THR 53 2HG2 THR 53 -6.515 -1.199 -1.661 448 HG23 THR 53 3HG2 THR 53 -7.759 -0.612 -2.765 449 H GLU 54 H GLU 54 -10.520 -2.635 0.365 450 HA GLU 54 HA GLU 54 -9.659 -5.450 -0.003 451 HB2 GLU 54 2HB GLU 54 -12.371 -4.306 0.799 452 HB3 GLU 54 3HB GLU 54 -12.085 -6.009 0.458 453 HG2 GLU 54 2HG GLU 54 -12.121 -5.704 2.839 454 HG3 GLU 54 3HG GLU 54 -10.473 -6.096 2.352 455 H ASP 55 H ASP 55 -10.333 -2.823 -1.804 456 HA ASP 55 HA ASP 55 -11.918 -3.902 -3.944 457 HB2 ASP 55 2HB ASP 55 -11.615 -1.421 -3.405 458 HB3 ASP 55 3HB ASP 55 -9.980 -1.530 -4.037 459 H LYS 56 H LYS 56 -10.974 -5.859 -4.431 460 HA LYS 56 HA LYS 56 -8.293 -6.540 -4.698 461 HB2 LYS 56 2HB LYS 56 -10.691 -7.754 -6.132 462 HB3 LYS 56 3HB LYS 56 -9.110 -8.516 -5.977 463 HG2 LYS 56 2HG LYS 56 -9.369 -8.671 -3.555 464 HG3 LYS 56 3HG LYS 56 -10.896 -7.788 -3.636 465 HD2 LYS 56 2HD LYS 56 -11.253 -10.231 -3.392 466 HD3 LYS 56 3HD LYS 56 -11.934 -9.612 -4.899 467 HE2 LYS 56 2HE LYS 56 -9.921 -10.438 -6.116 468 HE3 LYS 56 3HE LYS 56 -9.300 -11.101 -4.601 469 HZ1 LYS 56 1HZ LYS 56 -10.462 -12.724 -6.047 470 HZ2 LYS 56 2HZ LYS 56 -11.907 -11.886 -5.790 471 HZ3 LYS 56 3HZ LYS 56 -11.105 -12.613 -4.491 472 H GLU 57 H GLU 57 -10.462 -5.120 -7.087 473 HA GLU 57 HA GLU 57 -8.954 -5.604 -9.434 474 HB2 GLU 57 2HB GLU 57 -11.000 -3.420 -8.800 475 HB3 GLU 57 3HB GLU 57 -10.324 -3.691 -10.406 476 HG2 GLU 57 2HG GLU 57 -11.261 -5.988 -10.397 477 HG3 GLU 57 3HG GLU 57 -11.963 -5.683 -8.814 478 H SER 58 H SER 58 -9.073 -2.776 -7.235 479 HA SER 58 HA SER 58 -7.249 -1.176 -8.718 480 HB2 SER 58 2HB SER 58 -7.200 0.287 -6.721 481 HB3 SER 58 3HB SER 58 -8.852 -0.180 -7.130 482 HG SER 58 HG SER 58 -8.750 -1.734 -5.484 483 H ILE 59 H ILE 59 -6.884 -3.178 -5.778 484 HA ILE 59 HA ILE 59 -4.220 -2.836 -5.136 485 HB ILE 59 HB ILE 59 -5.820 -5.449 -5.067 486 HG12 ILE 59 2HG1 ILE 59 -5.291 -3.448 -2.810 487 HG13 ILE 59 3HG1 ILE 59 -6.807 -3.599 -3.691 488 HG21 ILE 59 1HG2 ILE 59 -3.430 -5.944 -4.954 489 HG22 ILE 59 2HG2 ILE 59 -4.187 -6.253 -3.394 490 HG23 ILE 59 3HG2 ILE 59 -3.224 -4.792 -3.633 491 HD11 ILE 59 1HD1 ILE 59 -7.058 -5.895 -2.837 492 HD12 ILE 59 2HD1 ILE 59 -6.965 -4.694 -1.552 493 HD13 ILE 59 3HD1 ILE 59 -5.564 -5.699 -1.914 494 H SER 60 H SER 60 -5.622 -5.171 -7.393 495 HA SER 60 HA SER 60 -3.356 -6.482 -8.302 496 HB2 SER 60 2HB SER 60 -5.700 -7.219 -8.704 497 HB3 SER 60 3HB SER 60 -5.914 -5.901 -9.858 498 HG SER 60 HG SER 60 -5.383 -7.701 -11.019 499 H GLU 61 H GLU 61 -4.953 -3.558 -9.660 500 HA GLU 61 HA GLU 61 -3.364 -3.336 -11.979 501 HB2 GLU 61 2HB GLU 61 -4.775 -1.054 -10.528 502 HB3 GLU 61 3HB GLU 61 -4.216 -1.039 -12.197 503 HG2 GLU 61 2HG GLU 61 -6.521 -2.569 -11.006 504 HG3 GLU 61 3HG GLU 61 -6.551 -1.368 -12.284 505 H ILE 62 H ILE 62 -3.105 -1.665 -8.817 506 HA ILE 62 HA ILE 62 -0.844 -0.127 -9.301 507 HB ILE 62 HB ILE 62 -2.009 -1.260 -6.743 508 HG12 ILE 62 2HG1 ILE 62 -2.025 1.292 -6.165 509 HG13 ILE 62 3HG1 ILE 62 -1.628 1.568 -7.853 510 HG21 ILE 62 1HG2 ILE 62 0.658 0.188 -6.848 511 HG22 ILE 62 2HG2 ILE 62 0.358 -1.453 -6.272 512 HG23 ILE 62 3HG2 ILE 62 -0.283 -0.076 -5.381 513 HD11 ILE 62 1HD1 ILE 62 -3.717 0.466 -8.507 514 HD12 ILE 62 2HD1 ILE 62 -3.974 1.867 -7.468 515 HD13 ILE 62 3HD1 ILE 62 -4.114 0.239 -6.801 516 H ILE 63 H ILE 63 -1.005 -3.518 -8.102 517 HA ILE 63 HA ILE 63 1.759 -3.879 -7.652 518 HB ILE 63 HB ILE 63 -0.279 -6.023 -8.410 519 HG12 ILE 63 2HG1 ILE 63 0.653 -5.246 -5.607 520 HG13 ILE 63 3HG1 ILE 63 -0.822 -4.629 -6.341 521 HG21 ILE 63 1HG2 ILE 63 2.015 -6.859 -8.693 522 HG22 ILE 63 2HG2 ILE 63 1.276 -7.615 -7.284 523 HG23 ILE 63 3HG2 ILE 63 2.448 -6.311 -7.070 524 HD11 ILE 63 1HD1 ILE 63 -0.224 -7.528 -5.809 525 HD12 ILE 63 2HD1 ILE 63 -1.710 -6.875 -6.504 526 HD13 ILE 63 3HD1 ILE 63 -1.265 -6.480 -4.846 527 H LYS 64 H LYS 64 -0.242 -4.471 -10.557 528 HA LYS 64 HA LYS 64 1.654 -5.697 -12.229 529 HB2 LYS 64 2HB LYS 64 -0.623 -3.802 -12.971 530 HB3 LYS 64 3HB LYS 64 0.262 -4.792 -14.129 531 HG2 LYS 64 2HG LYS 64 -0.620 -6.824 -13.197 532 HG3 LYS 64 3HG LYS 64 -1.314 -5.964 -11.819 533 HD2 LYS 64 2HD LYS 64 -2.855 -4.761 -13.345 534 HD3 LYS 64 3HD LYS 64 -2.159 -5.617 -14.725 535 HE2 LYS 64 2HE LYS 64 -2.993 -7.748 -13.856 536 HE3 LYS 64 3HE LYS 64 -3.606 -6.941 -12.406 537 HZ1 LYS 64 1HZ LYS 64 -4.535 -6.451 -15.193 538 HZ2 LYS 64 2HZ LYS 64 -5.099 -5.643 -13.822 539 HZ3 LYS 64 3HZ LYS 64 -5.376 -7.299 -13.996 540 H GLN 65 H GLN 65 0.917 -2.277 -11.643 541 HA GLN 65 HA GLN 65 2.807 -1.151 -13.433 542 HB2 GLN 65 2HB GLN 65 1.851 0.120 -10.839 543 HB3 GLN 65 3HB GLN 65 2.456 0.938 -12.272 544 HG2 GLN 65 2HG GLN 65 -0.206 -0.424 -11.892 545 HG3 GLN 65 3HG GLN 65 0.109 1.280 -12.188 546 HE21 GLN 65 1HE2 GLN 65 0.710 1.924 -14.291 547 HE22 GLN 65 2HE2 GLN 65 0.343 0.958 -15.678 548 H VAL 66 H VAL 66 3.010 -2.153 -10.030 549 HA VAL 66 HA VAL 66 5.611 -1.059 -9.526 550 HB VAL 66 HB VAL 66 3.973 -3.083 -7.929 551 HG11 VAL 66 1HG1 VAL 66 6.504 -1.602 -7.123 552 HG12 VAL 66 2HG1 VAL 66 6.328 -3.340 -7.344 553 HG13 VAL 66 3HG1 VAL 66 5.487 -2.532 -6.032 554 HG21 VAL 66 1HG2 VAL 66 4.377 -0.092 -7.495 555 HG22 VAL 66 2HG2 VAL 66 3.431 -1.173 -6.466 556 HG23 VAL 66 3HG2 VAL 66 2.913 -0.856 -8.121 557 H LEU 67 H LEU 67 4.474 -4.162 -10.746 558 HA LEU 67 HA LEU 67 6.887 -5.644 -10.440 559 HB2 LEU 67 2HB LEU 67 4.684 -5.917 -12.536 560 HB3 LEU 67 3HB LEU 67 5.974 -7.087 -12.298 561 HG LEU 67 HG LEU 67 3.860 -6.404 -10.213 562 HD11 LEU 67 1HD1 LEU 67 2.838 -7.514 -12.132 563 HD12 LEU 67 2HD1 LEU 67 2.839 -8.563 -10.720 564 HD13 LEU 67 3HD1 LEU 67 4.006 -8.835 -12.017 565 HD21 LEU 67 1HD2 LEU 67 4.660 -8.402 -9.012 566 HD22 LEU 67 2HD2 LEU 67 5.923 -7.183 -9.162 567 HD23 LEU 67 3HD2 LEU 67 5.947 -8.609 -10.203 568 H ASP 68 H ASP 68 5.564 -3.562 -12.946 569 HA ASP 68 HA ASP 68 7.780 -3.651 -14.770 570 HB2 ASP 68 2HB ASP 68 5.499 -3.076 -15.530 571 HB3 ASP 68 3HB ASP 68 5.472 -1.662 -14.484 572 H SER 69 H SER 69 6.961 -1.729 -11.947 573 HA SER 69 HA SER 69 8.727 0.471 -12.566 574 HB2 SER 69 2HB SER 69 6.486 0.745 -11.397 575 HB3 SER 69 3HB SER 69 7.201 -0.006 -9.972 576 HG SER 69 HG SER 69 8.878 1.804 -10.396 577 H GLY 70 H GLY 70 8.779 -2.361 -10.516 578 HA2 GLY 70 2HA GLY 70 10.475 -3.383 -9.351 579 HA3 GLY 70 3HA GLY 70 11.583 -2.150 -9.926 580 H ALA 71 H ALA 71 8.622 -1.360 -8.183 581 HA ALA 71 HA ALA 71 10.161 0.021 -6.109 582 HB1 ALA 71 1HB ALA 71 7.159 -0.030 -6.624 583 HB2 ALA 71 2HB ALA 71 8.284 1.186 -7.226 584 HB3 ALA 71 3HB ALA 71 7.997 1.034 -5.492 585 H LYS 72 H LYS 72 9.554 -0.212 -3.755 586 HA LYS 72 HA LYS 72 9.022 -2.998 -2.984 587 HB2 LYS 72 2HB LYS 72 9.650 -0.544 -1.281 588 HB3 LYS 72 3HB LYS 72 9.185 -2.084 -0.579 589 HG2 LYS 72 2HG LYS 72 11.528 -2.030 -0.436 590 HG3 LYS 72 3HG LYS 72 11.165 -3.115 -1.771 591 HD2 LYS 72 2HD LYS 72 13.032 -1.692 -2.386 592 HD3 LYS 72 3HD LYS 72 11.630 -1.237 -3.364 593 HE2 LYS 72 2HE LYS 72 11.199 0.672 -1.840 594 HE3 LYS 72 3HE LYS 72 12.596 0.210 -0.864 595 HZ1 LYS 72 1HZ LYS 72 13.993 0.578 -2.839 596 HZ2 LYS 72 2HZ LYS 72 13.187 1.982 -2.353 597 HZ3 LYS 72 3HZ LYS 72 12.637 1.115 -3.690 598 H VAL 73 H VAL 73 6.985 -3.694 -2.886 599 HA VAL 73 HA VAL 73 4.806 -1.783 -2.246 600 HB VAL 73 HB VAL 73 4.621 -2.492 -4.539 601 HG11 VAL 73 1HG1 VAL 73 5.886 -4.564 -4.521 602 HG12 VAL 73 2HG1 VAL 73 4.297 -4.840 -5.238 603 HG13 VAL 73 3HG1 VAL 73 4.623 -5.369 -3.586 604 HG21 VAL 73 1HG2 VAL 73 2.486 -3.866 -2.870 605 HG22 VAL 73 2HG2 VAL 73 2.328 -3.410 -4.569 606 HG23 VAL 73 3HG2 VAL 73 2.516 -2.163 -3.335 607 H LEU 74 H LEU 74 3.665 -2.137 -0.495 608 HA LEU 74 HA LEU 74 3.472 -4.851 0.685 609 HB2 LEU 74 2HB LEU 74 4.590 -3.315 2.230 610 HB3 LEU 74 3HB LEU 74 3.315 -2.126 2.031 611 HG LEU 74 HG LEU 74 1.707 -3.591 3.178 612 HD11 LEU 74 1HD1 LEU 74 2.527 -5.768 2.498 613 HD12 LEU 74 2HD1 LEU 74 2.389 -5.682 4.251 614 HD13 LEU 74 3HD1 LEU 74 3.977 -5.566 3.487 615 HD21 LEU 74 1HD2 LEU 74 2.638 -3.510 5.450 616 HD22 LEU 74 2HD2 LEU 74 2.998 -2.034 4.559 617 HD23 LEU 74 3HD2 LEU 74 4.256 -3.251 4.791 618 H ILE 75 H ILE 75 1.528 -5.719 0.461 619 HA ILE 75 HA ILE 75 -0.829 -4.042 -0.097 620 HB ILE 75 HB ILE 75 -0.361 -7.025 -0.546 621 HG12 ILE 75 2HG1 ILE 75 0.861 -5.691 -2.173 622 HG13 ILE 75 3HG1 ILE 75 -0.532 -6.395 -2.983 623 HG21 ILE 75 1HG2 ILE 75 -2.555 -7.075 -1.679 624 HG22 ILE 75 2HG2 ILE 75 -2.844 -5.396 -1.218 625 HG23 ILE 75 3HG2 ILE 75 -2.722 -6.643 0.024 626 HD11 ILE 75 1HD1 ILE 75 -0.260 -3.537 -2.041 627 HD12 ILE 75 2HD1 ILE 75 -1.696 -4.222 -2.807 628 HD13 ILE 75 3HD1 ILE 75 -0.180 -4.118 -3.705 629 H LEU 76 H LEU 76 -2.303 -3.819 1.382 630 HA LEU 76 HA LEU 76 -2.487 -5.598 3.723 631 HB2 LEU 76 2HB LEU 76 -2.872 -2.565 3.644 632 HB3 LEU 76 3HB LEU 76 -3.108 -3.582 5.057 633 HG LEU 76 HG LEU 76 -0.439 -3.137 3.655 634 HD11 LEU 76 1HD1 LEU 76 -1.200 -1.098 4.798 635 HD12 LEU 76 2HD1 LEU 76 0.206 -1.798 5.595 636 HD13 LEU 76 3HD1 LEU 76 -1.401 -2.003 6.302 637 HD21 LEU 76 1HD2 LEU 76 0.549 -4.287 5.598 638 HD22 LEU 76 2HD2 LEU 76 -0.533 -5.338 4.689 639 HD23 LEU 76 3HD2 LEU 76 -1.068 -4.633 6.217 640 H SER 77 H SER 77 -4.487 -6.380 4.053 641 HA SER 77 HA SER 77 -6.891 -4.957 3.221 642 HB2 SER 77 2HB SER 77 -6.362 -6.351 1.206 643 HB3 SER 77 3HB SER 77 -6.327 -7.799 2.214 644 HG SER 77 HG SER 77 -8.523 -6.172 1.501 645 H SER 78 H SER 78 -8.697 -5.642 4.418 646 HA SER 78 HA SER 78 -8.157 -6.678 7.014 647 HB2 SER 78 2HB SER 78 -10.854 -6.191 5.667 648 HB3 SER 78 3HB SER 78 -10.565 -6.364 7.401 649 HG SER 78 HG SER 78 -9.874 -4.244 5.679 650 H ASP 79 H ASP 79 -8.902 -8.183 4.030 651 HA ASP 79 HA ASP 79 -9.629 -10.733 5.361 652 HB2 ASP 79 2HB ASP 79 -11.317 -9.841 3.778 653 HB3 ASP 79 3HB ASP 79 -10.125 -9.883 2.481 654 H GLU 80 H GLU 80 -8.304 -12.424 5.239 655 HA GLU 80 HA GLU 80 -5.660 -12.105 4.106 656 HB2 GLU 80 2HB GLU 80 -5.103 -14.195 5.301 657 HB3 GLU 80 3HB GLU 80 -5.852 -12.998 6.351 658 HG2 GLU 80 2HG GLU 80 -8.019 -14.225 6.143 659 HG3 GLU 80 3HG GLU 80 -7.188 -15.448 5.182 660 H ASN 81 H ASN 81 -8.547 -13.454 2.914 661 HA ASN 81 HA ASN 81 -7.252 -15.482 1.253 662 HB2 ASN 81 2HB ASN 81 -10.137 -14.496 1.063 663 HB3 ASN 81 3HB ASN 81 -9.471 -15.987 0.399 664 HD21 ASN 81 1HD2 ASN 81 -10.586 -14.374 3.260 665 HD22 ASN 81 2HD2 ASN 81 -10.630 -15.763 4.289 666 H ILE 82 H ILE 82 -8.553 -12.187 0.984 667 HA ILE 82 HA ILE 82 -7.945 -11.718 -1.753 668 HB ILE 82 HB ILE 82 -7.997 -9.756 0.603 669 HG12 ILE 82 2HG1 ILE 82 -10.097 -10.355 -1.544 670 HG13 ILE 82 3HG1 ILE 82 -10.183 -10.837 0.148 671 HG21 ILE 82 1HG2 ILE 82 -8.127 -7.924 -1.061 672 HG22 ILE 82 2HG2 ILE 82 -7.910 -9.086 -2.371 673 HG23 ILE 82 3HG2 ILE 82 -6.611 -8.817 -1.209 674 HD11 ILE 82 1HD1 ILE 82 -10.288 -8.475 0.803 675 HD12 ILE 82 2HD1 ILE 82 -11.604 -8.942 -0.273 676 HD13 ILE 82 3HD1 ILE 82 -10.246 -8.012 -0.902 677 H ILE 83 H ILE 83 -6.117 -11.164 1.261 678 HA ILE 83 HA ILE 83 -3.649 -10.377 0.219 679 HB ILE 83 HB ILE 83 -4.430 -11.835 2.769 680 HG12 ILE 83 2HG1 ILE 83 -5.151 -9.495 2.566 681 HG13 ILE 83 3HG1 ILE 83 -3.946 -9.645 3.835 682 HG21 ILE 83 1HG2 ILE 83 -1.617 -10.902 2.157 683 HG22 ILE 83 2HG2 ILE 83 -2.136 -12.571 2.371 684 HG23 ILE 83 3HG2 ILE 83 -2.198 -11.446 3.731 685 HD11 ILE 83 1HD1 ILE 83 -3.474 -8.559 1.054 686 HD12 ILE 83 2HD1 ILE 83 -2.243 -8.724 2.309 687 HD13 ILE 83 3HD1 ILE 83 -3.604 -7.628 2.545 688 H GLU 84 H GLU 84 -4.912 -13.689 0.714 689 HA GLU 84 HA GLU 84 -2.577 -15.102 -0.079 690 HB2 GLU 84 2HB GLU 84 -4.410 -16.170 1.196 691 HB3 GLU 84 3HB GLU 84 -5.491 -16.003 -0.186 692 HG2 GLU 84 2HG GLU 84 -3.863 -17.466 -1.492 693 HG3 GLU 84 3HG GLU 84 -3.022 -17.758 0.029 694 H SER 85 H SER 85 -5.444 -13.969 -1.902 695 HA SER 85 HA SER 85 -4.908 -15.129 -4.389 696 HB2 SER 85 2HB SER 85 -6.282 -12.488 -3.730 697 HB3 SER 85 3HB SER 85 -6.345 -13.282 -5.308 698 HG SER 85 HG SER 85 -7.072 -14.830 -3.105 699 H ILE 86 H ILE 86 -3.826 -12.121 -2.940 700 HA ILE 86 HA ILE 86 -2.346 -11.132 -5.163 701 HB ILE 86 HB ILE 86 -2.289 -10.434 -2.195 702 HG12 ILE 86 2HG1 ILE 86 -4.450 -9.913 -3.146 703 HG13 ILE 86 3HG1 ILE 86 -3.592 -8.391 -2.975 704 HG21 ILE 86 1HG2 ILE 86 -1.165 -8.322 -2.831 705 HG22 ILE 86 2HG2 ILE 86 -0.962 -8.939 -4.472 706 HG23 ILE 86 3HG2 ILE 86 -0.162 -9.744 -3.123 707 HD11 ILE 86 1HD1 ILE 86 -4.037 -9.936 -5.534 708 HD12 ILE 86 2HD1 ILE 86 -3.083 -8.457 -5.407 709 HD13 ILE 86 3HD1 ILE 86 -4.809 -8.427 -5.049 710 H ARG 87 H ARG 87 -1.515 -13.144 -2.354 711 HA ARG 87 HA ARG 87 1.300 -13.212 -2.680 712 HB2 ARG 87 2HB ARG 87 -0.626 -15.185 -1.390 713 HB3 ARG 87 3HB ARG 87 1.117 -15.430 -1.383 714 HG2 ARG 87 2HG ARG 87 1.434 -13.382 -0.084 715 HG3 ARG 87 3HG ARG 87 -0.299 -13.052 -0.145 716 HD2 ARG 87 2HD ARG 87 -0.756 -15.104 1.133 717 HD3 ARG 87 3HD ARG 87 0.971 -15.489 1.159 718 HE ARG 87 HE ARG 87 0.199 -12.922 2.302 719 HH11 ARG 87 1HH1 ARG 87 0.978 -16.298 2.975 720 HH12 ARG 87 2HH1 ARG 87 1.328 -16.002 4.651 721 HH21 ARG 87 1HH2 ARG 87 0.691 -12.556 4.503 722 HH22 ARG 87 2HH2 ARG 87 1.164 -13.881 5.515 723 H LYS 88 H LYS 88 -1.278 -15.260 -4.034 724 HA LYS 88 HA LYS 88 0.606 -17.229 -5.037 725 HB2 LYS 88 2HB LYS 88 -1.371 -18.499 -5.737 726 HB3 LYS 88 3HB LYS 88 -1.509 -17.972 -4.066 727 HG2 LYS 88 2HG LYS 88 -2.947 -16.047 -4.959 728 HG3 LYS 88 3HG LYS 88 -3.005 -16.935 -6.479 729 HD2 LYS 88 2HD LYS 88 -3.973 -17.987 -3.784 730 HD3 LYS 88 3HD LYS 88 -5.003 -17.314 -5.043 731 HE2 LYS 88 2HE LYS 88 -5.228 -19.652 -5.264 732 HE3 LYS 88 3HE LYS 88 -4.124 -19.197 -6.557 733 HZ1 LYS 88 1HZ LYS 88 -3.484 -21.223 -5.301 734 HZ2 LYS 88 2HZ LYS 88 -3.238 -20.268 -3.930 735 HZ3 LYS 88 3HZ LYS 88 -2.288 -20.033 -5.306 736 H GLN 89 H GLN 89 -1.439 -14.664 -6.430 737 HA GLN 89 HA GLN 89 -0.673 -15.189 -9.162 738 HB2 GLN 89 2HB GLN 89 -1.902 -12.715 -7.875 739 HB3 GLN 89 3HB GLN 89 -1.653 -12.913 -9.610 740 HG2 GLN 89 2HG GLN 89 -3.186 -14.822 -9.640 741 HG3 GLN 89 3HG GLN 89 -3.409 -14.683 -7.893 742 HE21 GLN 89 1HE2 GLN 89 -4.642 -12.982 -7.071 743 HE22 GLN 89 2HE2 GLN 89 -5.685 -12.023 -8.058 744 H TYR 90 H TYR 90 0.590 -13.217 -6.535 745 HA TYR 90 HA TYR 90 2.909 -12.429 -8.198 746 HB2 TYR 90 2HB TYR 90 1.706 -10.616 -6.059 747 HB3 TYR 90 3HB TYR 90 2.910 -10.198 -7.274 748 HD1 TYR 90 HD1 TYR 90 2.120 -10.171 -9.761 749 HD2 TYR 90 HD2 TYR 90 -0.615 -10.216 -6.478 750 HE1 TYR 90 HE1 TYR 90 0.336 -9.339 -11.235 751 HE2 TYR 90 HE2 TYR 90 -2.397 -9.388 -7.954 752 HH TYR 90 HH TYR 90 -2.564 -8.072 -10.108 753 HA PRO 91 HA PRO 91 4.258 -14.849 -4.476 754 HB2 PRO 91 2HB PRO 91 6.627 -15.798 -5.527 755 HB3 PRO 91 3HB PRO 91 5.044 -16.535 -5.853 756 HG2 PRO 91 2HG PRO 91 6.607 -14.608 -7.542 757 HG3 PRO 91 3HG PRO 91 5.756 -16.094 -8.027 758 HD2 PRO 91 2HD PRO 91 4.659 -13.651 -8.404 759 HD3 PRO 91 3HD PRO 91 3.661 -15.065 -8.000 760 H LYS 92 H LYS 92 6.035 -12.297 -6.151 761 HA LYS 92 HA LYS 92 8.011 -12.080 -3.966 762 HB2 LYS 92 2HB LYS 92 7.954 -10.724 -6.691 763 HB3 LYS 92 3HB LYS 92 9.251 -10.581 -5.508 764 HG2 LYS 92 2HG LYS 92 9.562 -13.098 -5.698 765 HG3 LYS 92 3HG LYS 92 8.437 -13.061 -7.056 766 HD2 LYS 92 2HD LYS 92 11.119 -11.631 -6.883 767 HD3 LYS 92 3HD LYS 92 10.755 -13.054 -7.860 768 HE2 LYS 92 2HE LYS 92 9.533 -10.295 -8.234 769 HE3 LYS 92 3HE LYS 92 10.817 -10.993 -9.217 770 HZ1 LYS 92 1HZ LYS 92 8.079 -12.115 -8.969 771 HZ2 LYS 92 2HZ LYS 92 9.312 -12.695 -9.965 772 HZ3 LYS 92 3HZ LYS 92 8.636 -11.176 -10.260 773 H VAL 93 H VAL 93 5.026 -10.934 -4.134 774 HA VAL 93 HA VAL 93 5.607 -8.153 -3.377 775 HB VAL 93 HB VAL 93 3.580 -8.614 -4.750 776 HG11 VAL 93 1HG1 VAL 93 1.612 -9.722 -3.834 777 HG12 VAL 93 2HG1 VAL 93 2.459 -10.041 -2.317 778 HG13 VAL 93 3HG1 VAL 93 2.993 -10.814 -3.802 779 HG21 VAL 93 1HG2 VAL 93 1.988 -7.224 -3.501 780 HG22 VAL 93 2HG2 VAL 93 3.624 -6.607 -3.294 781 HG23 VAL 93 3HG2 VAL 93 2.862 -7.524 -1.997 782 H GLU 94 H GLU 94 5.535 -7.375 -1.253 783 HA GLU 94 HA GLU 94 5.352 -9.271 0.954 784 HB2 GLU 94 2HB GLU 94 5.708 -6.234 0.937 785 HB3 GLU 94 3HB GLU 94 5.765 -7.242 2.381 786 HG2 GLU 94 2HG GLU 94 7.696 -7.362 0.045 787 HG3 GLU 94 3HG GLU 94 8.007 -6.620 1.614 788 H THR 95 H THR 95 3.481 -9.676 2.061 789 HA THR 95 HA THR 95 1.182 -7.819 1.800 790 HB THR 95 HB THR 95 -0.353 -9.779 1.627 791 HG1 THR 95 HG1 THR 95 2.096 -11.225 1.542 792 HG21 THR 95 1HG2 THR 95 0.081 -10.411 -0.707 793 HG22 THR 95 2HG2 THR 95 1.722 -9.772 -0.588 794 HG23 THR 95 3HG2 THR 95 0.340 -8.682 -0.472 795 H ARG 96 H ARG 96 -0.328 -7.924 3.526 796 HA ARG 96 HA ARG 96 -0.063 -9.778 5.714 797 HB2 ARG 96 2HB ARG 96 1.587 -8.206 6.517 798 HB3 ARG 96 3HB ARG 96 0.586 -6.823 6.107 799 HG2 ARG 96 2HG ARG 96 -1.011 -7.477 7.908 800 HG3 ARG 96 3HG ARG 96 0.042 -8.829 8.331 801 HD2 ARG 96 2HD ARG 96 1.801 -7.337 9.040 802 HD3 ARG 96 3HD ARG 96 0.962 -5.933 8.373 803 HE ARG 96 HE ARG 96 -0.684 -7.153 10.314 804 HH11 ARG 96 1HH1 ARG 96 2.314 -5.299 10.181 805 HH12 ARG 96 2HH1 ARG 96 2.107 -4.625 11.766 806 HH21 ARG 96 1HH2 ARG 96 -0.947 -6.229 12.378 807 HH22 ARG 96 2HH2 ARG 96 0.261 -5.155 13.005 808 H ARG 97 H ARG 97 -2.079 -10.172 6.410 809 HA ARG 97 HA ARG 97 -4.305 -8.499 5.658 810 HB2 ARG 97 2HB ARG 97 -4.649 -10.885 5.711 811 HB3 ARG 97 3HB ARG 97 -4.087 -11.007 7.368 812 HG2 ARG 97 2HG ARG 97 -6.473 -9.261 6.934 813 HG3 ARG 97 3HG ARG 97 -6.721 -10.982 6.639 814 HD2 ARG 97 2HD ARG 97 -5.666 -9.758 9.213 815 HD3 ARG 97 3HD ARG 97 -7.303 -10.364 8.943 816 HE ARG 97 HE ARG 97 -6.440 -12.591 8.781 817 HH11 ARG 97 1HH1 ARG 97 -4.057 -10.257 9.901 818 HH12 ARG 97 2HH1 ARG 97 -3.025 -11.464 10.599 819 HH21 ARG 97 1HH2 ARG 97 -5.069 -14.164 9.641 820 HH22 ARG 97 2HH2 ARG 97 -3.602 -13.697 10.447 821 H ALA 98 H ALA 98 -5.032 -6.816 6.778 822 HA ALA 98 HA ALA 98 -4.306 -6.352 9.584 823 HB1 ALA 98 1HB ALA 98 -2.479 -5.327 8.280 824 HB2 ALA 98 2HB ALA 98 -3.464 -4.080 9.049 825 HB3 ALA 98 3HB ALA 98 -3.650 -4.415 7.324 826 H GLN 99 H GLN 99 -6.245 -6.107 10.429 827 HA GLN 99 HA GLN 99 -8.534 -5.231 8.791 828 HB2 GLN 99 2HB GLN 99 -8.594 -6.471 11.580 829 HB3 GLN 99 3HB GLN 99 -9.942 -6.310 10.450 830 HG2 GLN 99 2HG GLN 99 -8.762 -7.856 8.891 831 HG3 GLN 99 3HG GLN 99 -7.499 -8.067 10.097 832 HE21 GLN 99 1HE2 GLN 99 -10.713 -8.928 9.139 833 HE22 GLN 99 2HE2 GLN 99 -10.981 -10.125 10.361 834 H ASP 100 H ASP 100 -7.053 -4.621 11.940 835 HA ASP 100 HA ASP 100 -8.669 -2.301 12.538 836 HB2 ASP 100 2HB ASP 100 -6.120 -3.270 13.911 837 HB3 ASP 100 3HB ASP 100 -7.285 -2.122 14.559 838 H LYS 101 H LYS 101 -8.002 -0.158 12.501 839 HA LYS 101 HA LYS 101 -6.194 0.702 10.495 840 HB2 LYS 101 2HB LYS 101 -6.696 2.999 11.362 841 HB3 LYS 101 3HB LYS 101 -8.133 2.033 11.050 842 HG2 LYS 101 2HG LYS 101 -8.224 1.497 13.506 843 HG3 LYS 101 3HG LYS 101 -6.912 2.654 13.752 844 HD2 LYS 101 2HD LYS 101 -8.316 4.485 12.942 845 HD3 LYS 101 3HD LYS 101 -9.610 3.356 12.515 846 HE2 LYS 101 2HE LYS 101 -9.856 2.748 14.903 847 HE3 LYS 101 3HE LYS 101 -8.577 3.891 15.323 848 HZ1 LYS 101 1HZ LYS 101 -10.816 4.801 15.665 849 HZ2 LYS 101 2HZ LYS 101 -11.149 4.632 14.016 850 HZ3 LYS 101 3HZ LYS 101 -9.947 5.700 14.530 851 H GLU 102 H GLU 102 -5.847 0.235 13.932 852 HA GLU 102 HA GLU 102 -3.293 1.439 14.283 853 HB2 GLU 102 2HB GLU 102 -3.138 -0.013 16.351 854 HB3 GLU 102 3HB GLU 102 -4.592 0.975 16.260 855 HG2 GLU 102 2HG GLU 102 -5.875 -0.984 15.482 856 HG3 GLU 102 3HG GLU 102 -4.421 -1.979 15.602 857 H GLU 103 H GLU 103 -4.300 -1.853 13.393 858 HA GLU 103 HA GLU 103 -1.723 -3.035 13.243 859 HB2 GLU 103 2HB GLU 103 -4.389 -3.778 11.981 860 HB3 GLU 103 3HB GLU 103 -2.957 -4.795 11.851 861 HG2 GLU 103 2HG GLU 103 -4.121 -3.962 14.523 862 HG3 GLU 103 3HG GLU 103 -4.664 -5.397 13.658 863 H VAL 104 H VAL 104 -3.621 -1.204 10.905 864 HA VAL 104 HA VAL 104 -2.069 -1.898 8.594 865 HB VAL 104 HB VAL 104 -4.003 0.419 9.069 866 HG11 VAL 104 1HG1 VAL 104 -2.757 -0.499 6.447 867 HG12 VAL 104 2HG1 VAL 104 -2.457 1.034 7.267 868 HG13 VAL 104 3HG1 VAL 104 -4.050 0.688 6.603 869 HG21 VAL 104 1HG2 VAL 104 -4.384 -2.226 7.609 870 HG22 VAL 104 2HG2 VAL 104 -5.587 -0.940 7.744 871 HG23 VAL 104 3HG2 VAL 104 -5.056 -1.804 9.186 872 H LYS 105 H LYS 105 -2.216 1.091 10.627 873 HA LYS 105 HA LYS 105 -0.072 2.371 9.257 874 HB2 LYS 105 2HB LYS 105 -0.085 4.043 11.052 875 HB3 LYS 105 3HB LYS 105 -1.720 3.689 10.515 876 HG2 LYS 105 2HG LYS 105 -2.034 2.236 12.518 877 HG3 LYS 105 3HG LYS 105 -0.414 2.690 13.063 878 HD2 LYS 105 2HD LYS 105 -1.113 5.060 13.184 879 HD3 LYS 105 3HD LYS 105 -2.721 4.626 12.612 880 HE2 LYS 105 2HE LYS 105 -3.036 3.230 14.655 881 HE3 LYS 105 3HE LYS 105 -1.458 3.770 15.235 882 HZ1 LYS 105 1HZ LYS 105 -3.763 5.551 14.642 883 HZ2 LYS 105 2HZ LYS 105 -2.272 6.035 15.272 884 HZ3 LYS 105 3HZ LYS 105 -3.294 5.048 16.184 885 H ASP 106 H ASP 106 -0.175 0.231 12.072 886 HA ASP 106 HA ASP 106 2.508 0.237 12.841 887 HB2 ASP 106 2HB ASP 106 0.747 -0.918 14.103 888 HB3 ASP 106 3HB ASP 106 0.474 -2.037 12.776 889 H ALA 107 H ALA 107 0.870 -1.687 10.307 890 HA ALA 107 HA ALA 107 3.083 -3.272 9.528 891 HB1 ALA 107 1HB ALA 107 0.635 -2.491 7.905 892 HB2 ALA 107 2HB ALA 107 0.757 -3.872 8.997 893 HB3 ALA 107 3HB ALA 107 1.743 -3.818 7.534 894 H VAL 108 H VAL 108 1.902 -0.132 8.476 895 HA VAL 108 HA VAL 108 3.609 0.297 6.243 896 HB VAL 108 HB VAL 108 2.240 2.301 8.111 897 HG11 VAL 108 1HG1 VAL 108 4.131 3.388 6.947 898 HG12 VAL 108 2HG1 VAL 108 2.588 4.003 6.367 899 HG13 VAL 108 3HG1 VAL 108 3.497 2.851 5.390 900 HG21 VAL 108 1HG2 VAL 108 0.678 0.817 6.903 901 HG22 VAL 108 2HG2 VAL 108 1.401 1.291 5.365 902 HG23 VAL 108 3HG2 VAL 108 0.539 2.483 6.342 903 H GLU 109 H GLU 109 3.739 1.558 9.564 904 HA GLU 109 HA GLU 109 6.111 2.917 9.678 905 HB2 GLU 109 2HB GLU 109 4.409 2.813 11.481 906 HB3 GLU 109 3HB GLU 109 4.859 1.150 11.827 907 HG2 GLU 109 2HG GLU 109 7.197 2.071 12.376 908 HG3 GLU 109 3HG GLU 109 6.453 3.669 12.337 909 H GLU 110 H GLU 110 5.565 -0.493 10.334 910 HA GLU 110 HA GLU 110 8.140 -1.308 11.091 911 HB2 GLU 110 2HB GLU 110 6.120 -2.569 11.646 912 HB3 GLU 110 3HB GLU 110 5.769 -2.848 9.943 913 HG2 GLU 110 2HG GLU 110 7.764 -4.256 9.744 914 HG3 GLU 110 3HG GLU 110 8.178 -3.938 11.430 915 H PHE 111 H PHE 111 6.421 -1.572 7.974 916 HA PHE 111 HA PHE 111 8.331 -2.945 6.458 917 HB2 PHE 111 2HB PHE 111 5.927 -2.523 5.858 918 HB3 PHE 111 3HB PHE 111 6.320 -0.850 5.515 919 HD1 PHE 111 HD1 PHE 111 6.957 -4.360 4.412 920 HD2 PHE 111 HD2 PHE 111 7.091 -0.229 3.320 921 HE1 PHE 111 HE1 PHE 111 7.306 -4.974 2.064 922 HE2 PHE 111 HE2 PHE 111 7.448 -0.868 0.971 923 HZ PHE 111 HZ PHE 111 7.545 -3.241 0.342 924 H LEU 112 H LEU 112 8.034 0.448 7.250 925 HA LEU 112 HA LEU 112 10.029 1.431 5.398 926 HB2 LEU 112 2HB LEU 112 8.733 2.766 7.806 927 HB3 LEU 112 3HB LEU 112 9.646 3.588 6.545 928 HG LEU 112 HG LEU 112 7.071 2.056 6.024 929 HD11 LEU 112 1HD1 LEU 112 5.923 4.212 5.882 930 HD12 LEU 112 2HD1 LEU 112 7.389 5.037 6.423 931 HD13 LEU 112 3HD1 LEU 112 6.560 3.906 7.497 932 HD21 LEU 112 1HD2 LEU 112 8.465 2.243 4.044 933 HD22 LEU 112 2HD2 LEU 112 8.591 3.991 4.260 934 HD23 LEU 112 3HD2 LEU 112 7.030 3.255 3.884 935 H LYS 113 H LYS 113 9.973 0.649 8.913 936 HA LYS 113 HA LYS 113 12.676 1.476 9.429 937 HB2 LYS 113 2HB LYS 113 10.852 -0.410 10.992 938 HB3 LYS 113 3HB LYS 113 12.402 0.190 11.576 939 HG2 LYS 113 2HG LYS 113 11.476 2.528 11.427 940 HG3 LYS 113 3HG LYS 113 9.908 1.828 11.020 941 HD2 LYS 113 2HD LYS 113 9.939 0.597 13.205 942 HD3 LYS 113 3HD LYS 113 11.455 1.408 13.613 943 HE2 LYS 113 2HE LYS 113 8.736 2.687 13.207 944 HE3 LYS 113 3HE LYS 113 9.632 2.553 14.714 945 HZ1 LYS 113 1HZ LYS 113 9.789 4.771 13.826 946 HZ2 LYS 113 2HZ LYS 113 10.394 4.198 12.355 947 HZ3 LYS 113 3HZ LYS 113 11.315 4.040 13.769 948 H GLU 114 H GLU 114 11.188 -1.444 8.256 949 HA GLU 114 HA GLU 114 13.613 -3.072 8.435 950 HB2 GLU 114 2HB GLU 114 10.825 -3.725 7.385 951 HB3 GLU 114 3HB GLU 114 12.137 -4.886 7.541 952 HG2 GLU 114 2HG GLU 114 10.870 -3.396 9.866 953 HG3 GLU 114 3HG GLU 114 10.419 -5.019 9.355 954 H GLY 115 H GLY 115 12.734 -0.681 6.450 955 HA2 GLY 115 2HA GLY 115 13.918 0.005 4.567 956 HA3 GLY 115 3HA GLY 115 14.456 -1.642 4.294 957 H GLY 116 H GLY 116 12.521 -3.173 3.796 958 HA2 GLY 116 2HA GLY 116 10.210 -2.189 2.477 959 HA3 GLY 116 3HA GLY 116 11.475 -2.517 1.294 960 H SER 117 H SER 117 10.667 -4.213 4.304 961 HA SER 117 HA SER 117 9.466 -6.487 2.983 962 HB2 SER 117 2HB SER 117 11.215 -8.120 3.817 963 HB3 SER 117 3HB SER 117 11.816 -7.043 2.554 964 HG SER 117 HG SER 117 12.172 -6.042 5.092 965 H LEU 118 H LEU 118 7.977 -7.338 4.391 966 HA LEU 118 HA LEU 118 7.986 -6.613 7.199 967 HB2 LEU 118 2HB LEU 118 6.223 -8.554 5.673 968 HB3 LEU 118 3HB LEU 118 6.034 -8.189 7.381 969 HG LEU 118 HG LEU 118 5.562 -6.314 5.040 970 HD11 LEU 118 1HD1 LEU 118 3.268 -6.270 5.936 971 HD12 LEU 118 2HD1 LEU 118 3.729 -7.430 7.185 972 HD13 LEU 118 3HD1 LEU 118 3.773 -7.894 5.480 973 HD21 LEU 118 1HD2 LEU 118 4.945 -4.573 6.676 974 HD22 LEU 118 2HD2 LEU 118 6.648 -5.000 6.807 975 HD23 LEU 118 3HD2 LEU 118 5.496 -5.606 7.999 976 H GLU 119 H GLU 119 9.393 -9.140 5.332 977 HA GLU 119 HA GLU 119 9.660 -11.163 7.261 978 HB2 GLU 119 2HB GLU 119 10.339 -11.474 4.890 979 HB3 GLU 119 3HB GLU 119 11.681 -10.359 5.119 980 HG2 GLU 119 2HG GLU 119 12.420 -12.713 5.163 981 HG3 GLU 119 3HG GLU 119 12.754 -11.888 6.682 982 H HIS 120 H HIS 120 10.294 -10.815 9.255 983 HA HIS 120 HA HIS 120 11.449 -8.338 10.056 984 HB2 HIS 120 2HB HIS 120 10.814 -10.826 11.694 985 HB3 HIS 120 3HB HIS 120 11.237 -9.254 12.373 986 HD1 HIS 120 HD1 HIS 120 8.380 -11.210 11.227 987 HD2 HIS 120 HD2 HIS 120 9.258 -7.178 11.715 988 HE1 HIS 120 HE1 HIS 120 6.166 -10.043 11.267 989 HE2 HIS 120 HE2 HIS 120 6.740 -7.604 11.372 990 H HIS 121 H HIS 121 13.390 -7.879 10.977 991 HA HIS 121 HA HIS 121 15.647 -9.600 10.337 992 HB2 HIS 121 2HB HIS 121 15.492 -6.788 11.520 993 HB3 HIS 121 3HB HIS 121 16.996 -7.612 11.109 994 HD1 HIS 121 HD1 HIS 121 14.785 -5.206 9.744 995 HD2 HIS 121 HD2 HIS 121 16.846 -8.446 8.160 996 HE1 HIS 121 HE1 HIS 121 14.889 -4.790 7.270 997 HE2 HIS 121 HE2 HIS 121 15.975 -6.851 6.323 998 H HIS 122 H HIS 122 14.593 -11.177 11.860 999 HA HIS 122 HA HIS 122 15.021 -10.695 14.717 1000 HB2 HIS 122 2HB HIS 122 12.858 -11.694 13.870 1001 HB3 HIS 122 3HB HIS 122 13.761 -13.112 13.348 1002 HD1 HIS 122 HD1 HIS 122 14.251 -14.876 15.121 1003 HD2 HIS 122 HD2 HIS 122 12.701 -11.365 16.724 1004 HE1 HIS 122 HE1 HIS 122 13.781 -15.381 17.539 1005 HE2 HIS 122 HE2 HIS 122 12.856 -13.246 18.486 1006 H HIS 123 H HIS 123 17.343 -10.587 14.271 1007 HA HIS 123 HA HIS 123 18.681 -13.181 13.917 1008 HB2 HIS 123 2HB HIS 123 20.807 -11.875 13.853 1009 HB3 HIS 123 3HB HIS 123 19.667 -11.403 12.606 1010 HD1 HIS 123 HD1 HIS 123 21.600 -10.073 15.456 1011 HD2 HIS 123 HD2 HIS 123 18.496 -8.805 12.989 1012 HE1 HIS 123 HE1 HIS 123 21.446 -7.583 15.781 1013 HE2 HIS 123 HE2 HIS 123 19.452 -6.873 14.420 1014 H HIS 124 H HIS 124 17.801 -10.925 16.427 1015 HA HIS 124 HA HIS 124 19.523 -11.968 18.460 1016 HB2 HIS 124 2HB HIS 124 18.461 -9.793 18.811 1017 HB3 HIS 124 3HB HIS 124 16.859 -10.508 18.716 1018 HD1 HIS 124 HD1 HIS 124 19.902 -10.450 20.982 1019 HD2 HIS 124 HD2 HIS 124 15.859 -11.431 21.142 1020 HE1 HIS 124 HE1 HIS 124 19.402 -10.886 23.407 1021 HE2 HIS 124 HE2 HIS 124 16.990 -11.580 23.464 1022 H HIS 125 H HIS 125 19.464 -13.910 19.317 1023 HA HIS 125 HA HIS 125 16.909 -15.317 19.784 1024 HB2 HIS 125 2HB HIS 125 19.412 -16.532 18.507 1025 HB3 HIS 125 3HB HIS 125 18.086 -17.491 19.156 1026 HD1 HIS 125 HD1 HIS 125 19.032 -15.352 16.253 1027 HD2 HIS 125 HD2 HIS 125 15.741 -17.502 17.598 1028 HE1 HIS 125 HE1 HIS 125 17.455 -15.459 14.308 1029 HE2 HIS 125 HE2 HIS 125 15.582 -16.948 15.080 Start of MODEL 15 1 H1 MET 1 1H MET 1 14.664 8.163 -7.150 2 H2 MET 1 2H MET 1 13.602 7.108 -6.367 3 H3 MET 1 3H MET 1 15.265 6.997 -6.079 4 HA MET 1 HA MET 1 15.280 9.158 -5.045 5 HB2 MET 1 2HB MET 1 12.262 9.070 -5.509 6 HB3 MET 1 3HB MET 1 13.117 10.320 -4.612 7 HG2 MET 1 2HG MET 1 14.315 10.958 -6.690 8 HG3 MET 1 3HG MET 1 13.374 9.754 -7.579 9 HE1 MET 1 1HE MET 1 10.494 10.067 -6.094 10 HE2 MET 1 2HE MET 1 10.686 9.899 -7.840 11 HE3 MET 1 3HE MET 1 9.727 11.223 -7.182 12 H GLY 2 H GLY 2 13.275 9.428 -2.931 13 HA2 GLY 2 2HA GLY 2 13.158 6.727 -1.682 14 HA3 GLY 2 3HA GLY 2 13.569 8.180 -0.772 15 H LYS 3 H LYS 3 11.142 7.769 -3.300 16 HA LYS 3 HA LYS 3 9.114 9.144 -1.754 17 HB2 LYS 3 2HB LYS 3 9.333 9.694 -4.097 18 HB3 LYS 3 3HB LYS 3 9.200 8.018 -4.570 19 HG2 LYS 3 2HG LYS 3 7.110 8.751 -5.167 20 HG3 LYS 3 3HG LYS 3 6.766 8.195 -3.539 21 HD2 LYS 3 2HD LYS 3 7.361 11.102 -4.196 22 HD3 LYS 3 3HD LYS 3 5.739 10.427 -4.288 23 HE2 LYS 3 2HE LYS 3 5.660 11.310 -2.163 24 HE3 LYS 3 3HE LYS 3 6.279 9.711 -1.762 25 HZ1 LYS 3 1HZ LYS 3 7.558 11.313 -0.621 26 HZ2 LYS 3 2HZ LYS 3 7.807 12.231 -2.018 27 HZ3 LYS 3 3HZ LYS 3 8.539 10.715 -1.860 28 H VAL 4 H VAL 4 8.217 7.917 -0.152 29 HA VAL 4 HA VAL 4 6.925 5.357 -0.799 30 HB VAL 4 HB VAL 4 6.580 6.935 1.792 31 HG11 VAL 4 1HG1 VAL 4 4.887 5.178 1.385 32 HG12 VAL 4 2HG1 VAL 4 5.911 4.769 2.764 33 HG13 VAL 4 3HG1 VAL 4 6.169 3.975 1.208 34 HG21 VAL 4 1HG2 VAL 4 8.336 5.549 2.820 35 HG22 VAL 4 2HG2 VAL 4 8.991 6.517 1.499 36 HG23 VAL 4 3HG2 VAL 4 8.674 4.800 1.260 37 H VAL 5 H VAL 5 4.811 5.241 -1.406 38 HA VAL 5 HA VAL 5 3.029 7.574 -0.953 39 HB VAL 5 HB VAL 5 3.179 5.789 -3.427 40 HG11 VAL 5 1HG1 VAL 5 1.067 7.878 -2.775 41 HG12 VAL 5 2HG1 VAL 5 0.800 6.137 -2.877 42 HG13 VAL 5 3HG1 VAL 5 1.236 7.047 -4.326 43 HG21 VAL 5 1HG2 VAL 5 3.499 8.796 -3.111 44 HG22 VAL 5 2HG2 VAL 5 3.554 7.917 -4.641 45 HG23 VAL 5 3HG2 VAL 5 4.800 7.644 -3.421 46 H PHE 6 H PHE 6 1.311 7.060 0.279 47 HA PHE 6 HA PHE 6 0.464 4.252 0.546 48 HB2 PHE 6 2HB PHE 6 0.975 5.513 2.640 49 HB3 PHE 6 3HB PHE 6 -0.282 6.676 2.236 50 HD1 PHE 6 HD1 PHE 6 0.195 2.996 2.686 51 HD2 PHE 6 HD2 PHE 6 -2.443 6.332 3.170 52 HE1 PHE 6 HE1 PHE 6 -1.439 1.539 3.772 53 HE2 PHE 6 HE2 PHE 6 -4.070 4.852 4.254 54 HZ PHE 6 HZ PHE 6 -3.567 2.458 4.543 55 H LEU 7 H LEU 7 -1.055 3.728 -0.928 56 HA LEU 7 HA LEU 7 -3.364 5.487 -1.445 57 HB2 LEU 7 2HB LEU 7 -2.382 4.332 -3.382 58 HB3 LEU 7 3HB LEU 7 -2.549 2.780 -2.581 59 HG LEU 7 HG LEU 7 -5.040 2.970 -2.730 60 HD11 LEU 7 1HD1 LEU 7 -4.529 5.522 -4.276 61 HD12 LEU 7 2HD1 LEU 7 -5.283 5.392 -2.686 62 HD13 LEU 7 3HD1 LEU 7 -6.090 4.713 -4.097 63 HD21 LEU 7 1HD2 LEU 7 -3.638 3.295 -5.397 64 HD22 LEU 7 2HD2 LEU 7 -5.242 2.599 -5.143 65 HD23 LEU 7 3HD2 LEU 7 -3.819 1.792 -4.488 66 H SER 8 H SER 8 -5.480 4.896 -0.711 67 HA SER 8 HA SER 8 -5.944 2.355 0.615 68 HB2 SER 8 2HB SER 8 -5.051 3.727 2.471 69 HB3 SER 8 3HB SER 8 -6.238 4.979 2.143 70 HG SER 8 HG SER 8 -7.349 3.910 3.583 71 H ASP 9 H ASP 9 -8.252 2.272 1.385 72 HA ASP 9 HA ASP 9 -10.101 3.619 -0.490 73 HB2 ASP 9 2HB ASP 9 -10.034 1.165 -0.671 74 HB3 ASP 9 3HB ASP 9 -10.349 1.006 1.057 75 H ASP 10 H ASP 10 -9.444 2.878 2.897 76 HA ASP 10 HA ASP 10 -11.894 4.230 3.828 77 HB2 ASP 10 2HB ASP 10 -9.800 3.059 5.676 78 HB3 ASP 10 3HB ASP 10 -11.513 3.288 5.972 79 H GLN 11 H GLN 11 -11.862 6.270 4.580 80 HA GLN 11 HA GLN 11 -9.623 7.976 4.443 81 HB2 GLN 11 2HB GLN 11 -11.972 8.737 4.184 82 HB3 GLN 11 3HB GLN 11 -12.274 8.407 5.883 83 HG2 GLN 11 2HG GLN 11 -11.986 10.806 5.472 84 HG3 GLN 11 3HG GLN 11 -10.724 10.201 6.536 85 HE21 GLN 11 1HE2 GLN 11 -8.585 10.127 5.763 86 HE22 GLN 11 2HE2 GLN 11 -8.092 11.000 4.357 87 H GLU 12 H GLU 12 -11.179 6.387 7.241 88 HA GLU 12 HA GLU 12 -9.819 7.409 9.413 89 HB2 GLU 12 2HB GLU 12 -10.685 4.530 8.883 90 HB3 GLU 12 3HB GLU 12 -10.106 5.086 10.449 91 HG2 GLU 12 2HG GLU 12 -12.557 6.186 9.040 92 HG3 GLU 12 3HG GLU 12 -12.588 4.919 10.267 93 H ILE 13 H ILE 13 -8.886 4.585 7.489 94 HA ILE 13 HA ILE 13 -6.426 3.936 8.511 95 HB ILE 13 HB ILE 13 -7.311 3.805 5.601 96 HG12 ILE 13 2HG1 ILE 13 -8.855 2.591 7.175 97 HG13 ILE 13 3HG1 ILE 13 -8.073 1.528 6.019 98 HG21 ILE 13 1HG2 ILE 13 -5.636 2.045 5.324 99 HG22 ILE 13 2HG2 ILE 13 -5.124 2.250 6.997 100 HG23 ILE 13 3HG2 ILE 13 -4.883 3.551 5.831 101 HD11 ILE 13 1HD1 ILE 13 -7.368 1.853 8.914 102 HD12 ILE 13 2HD1 ILE 13 -6.531 0.804 7.772 103 HD13 ILE 13 3HD1 ILE 13 -8.221 0.504 8.172 104 H ILE 14 H ILE 14 -7.098 6.206 5.805 105 HA ILE 14 HA ILE 14 -4.504 6.850 5.006 106 HB ILE 14 HB ILE 14 -6.985 8.637 4.940 107 HG12 ILE 14 2HG1 ILE 14 -5.811 6.851 2.760 108 HG13 ILE 14 3HG1 ILE 14 -7.242 6.482 3.711 109 HG21 ILE 14 1HG2 ILE 14 -5.859 9.929 3.149 110 HG22 ILE 14 2HG2 ILE 14 -4.401 8.956 3.360 111 HG23 ILE 14 3HG2 ILE 14 -4.957 10.013 4.659 112 HD11 ILE 14 1HD1 ILE 14 -6.947 8.757 1.748 113 HD12 ILE 14 2HD1 ILE 14 -8.381 8.430 2.728 114 HD13 ILE 14 3HD1 ILE 14 -7.856 7.264 1.514 115 H GLU 15 H GLU 15 -6.571 8.366 7.453 116 HA GLU 15 HA GLU 15 -4.829 10.538 8.071 117 HB2 GLU 15 2HB GLU 15 -7.224 9.434 9.597 118 HB3 GLU 15 3HB GLU 15 -6.409 10.960 9.962 119 HG2 GLU 15 2HG GLU 15 -6.974 11.796 7.699 120 HG3 GLU 15 3HG GLU 15 -7.819 10.287 7.359 121 H GLU 16 H GLU 16 -5.205 7.283 9.386 122 HA GLU 16 HA GLU 16 -3.643 7.735 11.761 123 HB2 GLU 16 2HB GLU 16 -4.587 5.202 10.377 124 HB3 GLU 16 3HB GLU 16 -3.583 5.159 11.827 125 HG2 GLU 16 2HG GLU 16 -6.327 6.417 11.587 126 HG3 GLU 16 3HG GLU 16 -5.947 4.892 12.382 127 H VAL 17 H VAL 17 -2.926 6.462 8.536 128 HA VAL 17 HA VAL 17 -0.207 5.775 9.082 129 HB VAL 17 HB VAL 17 -1.684 6.259 6.454 130 HG11 VAL 17 1HG1 VAL 17 1.085 5.060 6.855 131 HG12 VAL 17 2HG1 VAL 17 0.725 6.597 6.068 132 HG13 VAL 17 3HG1 VAL 17 0.196 5.086 5.328 133 HG21 VAL 17 1HG2 VAL 17 -0.920 3.680 7.885 134 HG22 VAL 17 2HG2 VAL 17 -1.724 3.778 6.317 135 HG23 VAL 17 3HG2 VAL 17 -2.547 4.357 7.766 136 H SER 18 H SER 18 -1.843 8.669 7.811 137 HA SER 18 HA SER 18 0.484 10.223 7.310 138 HB2 SER 18 2HB SER 18 -1.722 10.747 6.303 139 HB3 SER 18 3HB SER 18 -2.366 11.147 7.894 140 HG SER 18 HG SER 18 -0.622 12.777 7.962 141 H LYS 19 H LYS 19 -1.573 9.779 10.166 142 HA LYS 19 HA LYS 19 -0.544 11.696 11.905 143 HB2 LYS 19 2HB LYS 19 -2.611 10.430 12.305 144 HB3 LYS 19 3HB LYS 19 -1.715 8.926 12.391 145 HG2 LYS 19 2HG LYS 19 -2.469 9.714 14.584 146 HG3 LYS 19 3HG LYS 19 -0.714 9.561 14.485 147 HD2 LYS 19 2HD LYS 19 -0.386 11.908 14.459 148 HD3 LYS 19 3HD LYS 19 -2.068 12.235 14.029 149 HE2 LYS 19 2HE LYS 19 -1.469 12.742 16.419 150 HE3 LYS 19 3HE LYS 19 -2.832 11.647 16.210 151 HZ1 LYS 19 1HZ LYS 19 -0.056 10.786 16.841 152 HZ2 LYS 19 2HZ LYS 19 -1.413 9.785 16.743 153 HZ3 LYS 19 3HZ LYS 19 -1.298 10.935 17.975 154 H LYS 20 H LYS 20 0.358 8.266 11.491 155 HA LYS 20 HA LYS 20 2.562 8.339 13.289 156 HB2 LYS 20 2HB LYS 20 1.399 6.266 12.880 157 HB3 LYS 20 3HB LYS 20 1.754 6.333 11.158 158 HG2 LYS 20 2HG LYS 20 4.003 5.718 11.449 159 HG3 LYS 20 3HG LYS 20 4.041 6.257 13.129 160 HD2 LYS 20 2HD LYS 20 2.478 3.844 12.157 161 HD3 LYS 20 3HD LYS 20 4.110 3.763 12.822 162 HE2 LYS 20 2HE LYS 20 3.204 4.823 14.940 163 HE3 LYS 20 3HE LYS 20 1.582 4.633 14.265 164 HZ1 LYS 20 1HZ LYS 20 2.206 2.823 15.750 165 HZ2 LYS 20 2HZ LYS 20 3.499 2.414 14.739 166 HZ3 LYS 20 3HZ LYS 20 1.908 2.271 14.181 167 H ALA 21 H ALA 21 2.248 8.832 9.789 168 HA ALA 21 HA ALA 21 4.971 8.855 9.076 169 HB1 ALA 21 1HB ALA 21 2.726 10.486 7.841 170 HB2 ALA 21 2HB ALA 21 3.147 8.829 7.406 171 HB3 ALA 21 3HB ALA 21 4.289 10.138 7.096 172 H GLU 22 H GLU 22 2.883 11.335 10.430 173 HA GLU 22 HA GLU 22 4.627 13.565 10.209 174 HB2 GLU 22 2HB GLU 22 2.192 13.785 10.488 175 HB3 GLU 22 3HB GLU 22 2.284 13.015 12.068 176 HG2 GLU 22 2HG GLU 22 3.615 14.934 12.912 177 HG3 GLU 22 3HG GLU 22 3.486 15.707 11.331 178 H GLU 23 H GLU 23 3.750 11.468 12.963 179 HA GLU 23 HA GLU 23 5.461 12.595 14.890 180 HB2 GLU 23 2HB GLU 23 4.232 9.809 14.800 181 HB3 GLU 23 3HB GLU 23 4.931 10.560 16.239 182 HG2 GLU 23 2HG GLU 23 3.215 12.293 16.228 183 HG3 GLU 23 3HG GLU 23 2.563 11.685 14.706 184 H GLU 24 H GLU 24 5.990 9.943 12.612 185 HA GLU 24 HA GLU 24 8.571 9.204 13.794 186 HB2 GLU 24 2HB GLU 24 6.891 8.017 11.558 187 HB3 GLU 24 3HB GLU 24 8.510 7.432 11.930 188 HG2 GLU 24 2HG GLU 24 6.173 7.432 13.870 189 HG3 GLU 24 3HG GLU 24 6.708 6.046 12.918 190 H GLY 25 H GLY 25 7.482 11.413 11.469 191 HA2 GLY 25 2HA GLY 25 8.593 12.781 10.013 192 HA3 GLY 25 3HA GLY 25 10.110 12.129 10.606 193 H TYR 26 H TYR 26 7.598 10.117 9.223 194 HA TYR 26 HA TYR 26 9.304 9.137 7.127 195 HB2 TYR 26 2HB TYR 26 6.387 8.588 7.809 196 HB3 TYR 26 3HB TYR 26 7.201 7.837 6.446 197 HD1 TYR 26 HD1 TYR 26 9.901 7.303 7.750 198 HD2 TYR 26 HD2 TYR 26 5.903 6.649 9.135 199 HE1 TYR 26 HE1 TYR 26 10.684 5.434 9.128 200 HE2 TYR 26 HE2 TYR 26 6.693 4.784 10.526 201 HH TYR 26 HH TYR 26 8.676 3.166 10.499 202 H ASP 27 H ASP 27 9.407 9.768 5.072 203 HA ASP 27 HA ASP 27 7.681 11.756 3.875 204 HB2 ASP 27 2HB ASP 27 10.001 11.697 3.137 205 HB3 ASP 27 3HB ASP 27 9.913 9.968 2.813 206 H ILE 28 H ILE 28 5.566 10.989 3.709 207 HA ILE 28 HA ILE 28 5.137 8.734 1.835 208 HB ILE 28 HB ILE 28 3.296 9.208 4.234 209 HG12 ILE 28 2HG1 ILE 28 5.362 6.983 3.900 210 HG13 ILE 28 3HG1 ILE 28 5.467 8.304 5.059 211 HG21 ILE 28 1HG2 ILE 28 2.200 8.246 2.250 212 HG22 ILE 28 2HG2 ILE 28 2.265 7.066 3.559 213 HG23 ILE 28 3HG2 ILE 28 3.397 6.946 2.208 214 HD11 ILE 28 1HD1 ILE 28 3.414 6.089 5.040 215 HD12 ILE 28 2HD1 ILE 28 3.429 7.451 6.164 216 HD13 ILE 28 3HD1 ILE 28 4.758 6.295 6.164 217 H GLN 29 H GLN 29 3.697 9.242 0.237 218 HA GLN 29 HA GLN 29 2.080 11.707 0.443 219 HB2 GLN 29 2HB GLN 29 3.701 11.505 -1.485 220 HB3 GLN 29 3HB GLN 29 2.813 10.097 -2.051 221 HG2 GLN 29 2HG GLN 29 2.181 12.105 -3.315 222 HG3 GLN 29 3HG GLN 29 0.807 11.489 -2.395 223 HE21 GLN 29 1HE2 GLN 29 3.216 14.029 -2.590 224 HE22 GLN 29 2HE2 GLN 29 2.414 15.143 -1.543 225 H THR 30 H THR 30 -0.017 11.312 0.988 226 HA THR 30 HA THR 30 -1.105 8.583 0.722 227 HB THR 30 HB THR 30 -2.884 9.474 2.339 228 HG1 THR 30 HG1 THR 30 -2.842 11.534 2.754 229 HG21 THR 30 1HG2 THR 30 -1.428 9.364 4.331 230 HG22 THR 30 2HG2 THR 30 -0.003 9.581 3.311 231 HG23 THR 30 3HG2 THR 30 -0.979 8.117 3.161 232 H SER 31 H SER 31 -3.136 8.171 -0.203 233 HA SER 31 HA SER 31 -4.703 10.199 -1.523 234 HB2 SER 31 2HB SER 31 -2.840 9.954 -3.150 235 HB3 SER 31 3HB SER 31 -3.126 8.219 -3.231 236 HG SER 31 HG SER 31 -4.751 10.333 -4.190 237 H ASN 32 H ASN 32 -6.500 9.234 -2.772 238 HA ASN 32 HA ASN 32 -7.451 6.616 -1.753 239 HB2 ASN 32 2HB ASN 32 -8.565 8.551 -0.621 240 HB3 ASN 32 3HB ASN 32 -9.051 9.187 -2.187 241 HD21 ASN 32 1HD2 ASN 32 -9.207 5.832 -0.967 242 HD22 ASN 32 2HD2 ASN 32 -10.918 5.688 -1.118 243 H ASP 33 H ASP 33 -6.524 8.288 -4.504 244 HA ASP 33 HA ASP 33 -8.590 7.107 -6.286 245 HB2 ASP 33 2HB ASP 33 -8.300 9.576 -6.418 246 HB3 ASP 33 3HB ASP 33 -6.600 9.356 -6.819 247 H LYS 34 H LYS 34 -7.987 5.187 -7.059 248 HA LYS 34 HA LYS 34 -5.468 4.047 -7.024 249 HB2 LYS 34 2HB LYS 34 -6.411 2.154 -8.105 250 HB3 LYS 34 3HB LYS 34 -7.775 2.882 -7.271 251 HG2 LYS 34 2HG LYS 34 -8.477 3.941 -9.440 252 HG3 LYS 34 3HG LYS 34 -7.150 3.104 -10.239 253 HD2 LYS 34 2HD LYS 34 -9.081 1.804 -10.688 254 HD3 LYS 34 3HD LYS 34 -8.211 0.918 -9.433 255 HE2 LYS 34 2HE LYS 34 -10.633 0.966 -8.988 256 HE3 LYS 34 3HE LYS 34 -9.750 1.824 -7.726 257 HZ1 LYS 34 1HZ LYS 34 -10.353 3.913 -8.768 258 HZ2 LYS 34 2HZ LYS 34 -11.739 3.009 -8.425 259 HZ3 LYS 34 3HZ LYS 34 -11.165 3.100 -10.013 260 H LYS 35 H LYS 35 -6.982 5.920 -9.629 261 HA LYS 35 HA LYS 35 -5.138 4.941 -11.672 262 HB2 LYS 35 2HB LYS 35 -6.394 6.274 -13.258 263 HB3 LYS 35 3HB LYS 35 -7.504 5.357 -12.250 264 HG2 LYS 35 2HG LYS 35 -8.043 7.355 -10.957 265 HG3 LYS 35 3HG LYS 35 -6.852 8.294 -11.864 266 HD2 LYS 35 2HD LYS 35 -8.167 7.878 -13.950 267 HD3 LYS 35 3HD LYS 35 -9.378 7.019 -12.996 268 HE2 LYS 35 2HE LYS 35 -9.907 9.072 -11.775 269 HE3 LYS 35 3HE LYS 35 -8.618 9.934 -12.620 270 HZ1 LYS 35 1HZ LYS 35 -10.765 10.407 -13.599 271 HZ2 LYS 35 2HZ LYS 35 -11.036 8.763 -13.882 272 HZ3 LYS 35 3HZ LYS 35 -9.794 9.565 -14.702 273 H GLU 36 H GLU 36 -5.493 7.709 -9.603 274 HA GLU 36 HA GLU 36 -3.570 9.488 -10.596 275 HB2 GLU 36 2HB GLU 36 -5.028 9.999 -8.654 276 HB3 GLU 36 3HB GLU 36 -4.260 8.733 -7.715 277 HG2 GLU 36 2HG GLU 36 -3.459 10.881 -6.964 278 HG3 GLU 36 3HG GLU 36 -2.135 10.012 -7.745 279 H ILE 37 H ILE 37 -3.318 6.803 -8.340 280 HA ILE 37 HA ILE 37 -0.557 6.931 -7.837 281 HB ILE 37 HB ILE 37 -2.547 4.658 -7.472 282 HG12 ILE 37 2HG1 ILE 37 -3.289 6.609 -6.236 283 HG13 ILE 37 3HG1 ILE 37 -2.614 5.480 -5.070 284 HG21 ILE 37 1HG2 ILE 37 0.188 5.002 -6.217 285 HG22 ILE 37 2HG2 ILE 37 -0.277 3.774 -7.395 286 HG23 ILE 37 3HG2 ILE 37 -0.988 3.757 -5.781 287 HD11 ILE 37 1HD1 ILE 37 -1.358 8.007 -6.120 288 HD12 ILE 37 2HD1 ILE 37 -0.510 6.833 -5.109 289 HD13 ILE 37 3HD1 ILE 37 -1.928 7.669 -4.488 290 H ILE 38 H ILE 38 -2.457 4.822 -9.993 291 HA ILE 38 HA ILE 38 -0.448 3.126 -10.952 292 HB ILE 38 HB ILE 38 -3.036 4.094 -12.242 293 HG12 ILE 38 2HG1 ILE 38 -2.343 1.426 -10.925 294 HG13 ILE 38 3HG1 ILE 38 -3.239 2.730 -10.154 295 HG21 ILE 38 1HG2 ILE 38 -2.875 2.284 -13.895 296 HG22 ILE 38 2HG2 ILE 38 -1.298 1.824 -13.260 297 HG23 ILE 38 3HG2 ILE 38 -1.504 3.383 -14.057 298 HD11 ILE 38 1HD1 ILE 38 -4.743 1.014 -10.895 299 HD12 ILE 38 2HD1 ILE 38 -4.120 1.118 -12.542 300 HD13 ILE 38 3HD1 ILE 38 -5.012 2.476 -11.845 301 H ASP 39 H ASP 39 -1.494 6.326 -12.082 302 HA ASP 39 HA ASP 39 0.100 6.417 -14.437 303 HB2 ASP 39 2HB ASP 39 -1.980 7.831 -13.931 304 HB3 ASP 39 3HB ASP 39 -0.961 8.832 -12.903 305 H ARG 40 H ARG 40 0.654 7.319 -11.079 306 HA ARG 40 HA ARG 40 3.112 8.779 -11.524 307 HB2 ARG 40 2HB ARG 40 1.943 7.664 -8.942 308 HB3 ARG 40 3HB ARG 40 3.251 8.845 -9.056 309 HG2 ARG 40 2HG ARG 40 1.775 10.510 -9.974 310 HG3 ARG 40 3HG ARG 40 0.491 9.323 -10.186 311 HD2 ARG 40 2HD ARG 40 -0.032 10.698 -8.283 312 HD3 ARG 40 3HD ARG 40 0.338 9.064 -7.733 313 HE ARG 40 HE ARG 40 2.682 10.118 -7.341 314 HH11 ARG 40 1HH1 ARG 40 -0.395 11.716 -6.776 315 HH12 ARG 40 2HH1 ARG 40 0.221 12.717 -5.510 316 HH21 ARG 40 1HH2 ARG 40 3.479 11.426 -5.672 317 HH22 ARG 40 2HH2 ARG 40 2.434 12.551 -4.878 318 H LEU 41 H LEU 41 2.227 5.475 -10.691 319 HA LEU 41 HA LEU 41 4.801 4.387 -10.291 320 HB2 LEU 41 2HB LEU 41 2.254 3.138 -11.404 321 HB3 LEU 41 3HB LEU 41 3.692 2.209 -11.011 322 HG LEU 41 HG LEU 41 2.152 3.853 -8.955 323 HD11 LEU 41 1HD1 LEU 41 1.172 1.782 -8.132 324 HD12 LEU 41 2HD1 LEU 41 1.931 0.871 -9.443 325 HD13 LEU 41 3HD1 LEU 41 0.689 2.077 -9.802 326 HD21 LEU 41 1HD2 LEU 41 3.404 2.553 -7.307 327 HD22 LEU 41 2HD2 LEU 41 4.488 3.441 -8.373 328 HD23 LEU 41 3HD2 LEU 41 4.261 1.703 -8.601 329 H LYS 42 H LYS 42 2.847 4.980 -13.213 330 HA LYS 42 HA LYS 42 4.618 3.920 -15.161 331 HB2 LYS 42 2HB LYS 42 2.513 6.112 -15.407 332 HB3 LYS 42 3HB LYS 42 3.343 5.385 -16.780 333 HG2 LYS 42 2HG LYS 42 2.358 3.228 -16.314 334 HG3 LYS 42 3HG LYS 42 1.642 3.828 -14.815 335 HD2 LYS 42 2HD LYS 42 0.142 5.294 -16.043 336 HD3 LYS 42 3HD LYS 42 0.959 4.932 -17.567 337 HE2 LYS 42 2HE LYS 42 -0.589 2.917 -15.900 338 HE3 LYS 42 3HE LYS 42 -1.204 3.732 -17.339 339 HZ1 LYS 42 1HZ LYS 42 1.098 1.857 -17.220 340 HZ2 LYS 42 2HZ LYS 42 0.637 2.719 -18.597 341 HZ3 LYS 42 3HZ LYS 42 -0.411 1.570 -17.931 342 H ARG 43 H ARG 43 4.424 7.082 -13.601 343 HA ARG 43 HA ARG 43 6.364 8.449 -15.207 344 HB2 ARG 43 2HB ARG 43 5.453 9.027 -12.356 345 HB3 ARG 43 3HB ARG 43 6.377 10.136 -13.366 346 HG2 ARG 43 2HG ARG 43 4.509 10.422 -14.877 347 HG3 ARG 43 3HG ARG 43 3.591 9.154 -14.064 348 HD2 ARG 43 2HD ARG 43 3.731 10.620 -11.954 349 HD3 ARG 43 3HD ARG 43 4.295 11.911 -13.021 350 HE ARG 43 HE ARG 43 1.945 10.883 -14.114 351 HH11 ARG 43 1HH1 ARG 43 2.871 12.625 -11.195 352 HH12 ARG 43 2HH1 ARG 43 1.319 13.371 -11.016 353 HH21 ARG 43 1HH2 ARG 43 -0.089 11.807 -13.808 354 HH22 ARG 43 2HH2 ARG 43 -0.359 12.907 -12.496 355 H ARG 44 H ARG 44 6.663 5.958 -12.960 356 HA ARG 44 HA ARG 44 8.282 4.886 -11.896 357 HB2 ARG 44 2HB ARG 44 9.502 5.499 -14.170 358 HB3 ARG 44 3HB ARG 44 10.431 6.604 -13.171 359 HG2 ARG 44 2HG ARG 44 11.687 4.556 -13.394 360 HG3 ARG 44 3HG ARG 44 11.086 4.649 -11.734 361 HD2 ARG 44 2HD ARG 44 10.825 2.386 -12.636 362 HD3 ARG 44 3HD ARG 44 9.256 3.116 -12.281 363 HE ARG 44 HE ARG 44 10.392 3.013 -15.027 364 HH11 ARG 44 1HH1 ARG 44 7.666 2.512 -12.858 365 HH12 ARG 44 2HH1 ARG 44 6.582 2.069 -14.135 366 HH21 ARG 44 1HH2 ARG 44 8.934 2.408 -16.678 367 HH22 ARG 44 2HH2 ARG 44 7.291 2.012 -16.270 368 H ASN 45 H ASN 45 7.091 7.412 -10.906 369 HA ASN 45 HA ASN 45 9.111 8.853 -9.426 370 HB2 ASN 45 2HB ASN 45 6.114 9.139 -9.755 371 HB3 ASN 45 3HB ASN 45 6.942 10.024 -8.481 372 HD21 ASN 45 1HD2 ASN 45 8.597 9.477 -11.560 373 HD22 ASN 45 2HD2 ASN 45 8.467 11.112 -12.092 374 H ILE 46 H ILE 46 7.073 6.133 -8.778 375 HA ILE 46 HA ILE 46 7.216 6.536 -5.843 376 HB ILE 46 HB ILE 46 5.508 4.527 -7.372 377 HG12 ILE 46 2HG1 ILE 46 4.748 7.258 -6.224 378 HG13 ILE 46 3HG1 ILE 46 4.789 6.818 -7.928 379 HG21 ILE 46 1HG2 ILE 46 5.419 5.371 -4.448 380 HG22 ILE 46 2HG2 ILE 46 6.003 3.822 -5.063 381 HG23 ILE 46 3HG2 ILE 46 4.300 4.247 -5.229 382 HD11 ILE 46 1HD1 ILE 46 2.880 5.700 -5.867 383 HD12 ILE 46 2HD1 ILE 46 2.917 5.289 -7.587 384 HD13 ILE 46 3HD1 ILE 46 2.519 6.928 -7.080 385 H ASP 47 H ASP 47 8.784 5.550 -4.815 386 HA ASP 47 HA ASP 47 10.385 3.420 -6.043 387 HB2 ASP 47 2HB ASP 47 10.760 5.029 -3.474 388 HB3 ASP 47 3HB ASP 47 11.910 3.843 -4.081 389 H MET 48 H MET 48 8.299 3.936 -3.261 390 HA MET 48 HA MET 48 7.749 1.082 -3.119 391 HB2 MET 48 2HB MET 48 8.130 0.991 -0.638 392 HB3 MET 48 3HB MET 48 9.605 1.180 -1.570 393 HG2 MET 48 2HG MET 48 9.497 3.653 -1.054 394 HG3 MET 48 3HG MET 48 8.188 3.286 0.073 395 HE1 MET 48 1HE MET 48 8.545 1.433 2.064 396 HE2 MET 48 2HE MET 48 10.130 0.862 2.580 397 HE3 MET 48 3HE MET 48 9.439 0.288 1.063 398 H ILE 49 H ILE 49 5.741 0.647 -2.174 399 HA ILE 49 HA ILE 49 3.962 2.924 -1.612 400 HB ILE 49 HB ILE 49 3.894 2.710 -4.044 401 HG12 ILE 49 2HG1 ILE 49 1.381 1.544 -2.770 402 HG13 ILE 49 3HG1 ILE 49 1.753 3.251 -2.989 403 HG21 ILE 49 1HG2 ILE 49 3.255 0.651 -5.205 404 HG22 ILE 49 2HG2 ILE 49 3.182 -0.209 -3.667 405 HG23 ILE 49 3HG2 ILE 49 4.725 0.414 -4.259 406 HD11 ILE 49 1HD1 ILE 49 1.244 1.249 -5.174 407 HD12 ILE 49 2HD1 ILE 49 1.649 2.953 -5.406 408 HD13 ILE 49 3HD1 ILE 49 0.148 2.504 -4.599 409 H ILE 50 H ILE 50 2.086 2.356 -0.529 410 HA ILE 50 HA ILE 50 1.683 -0.446 0.323 411 HB ILE 50 HB ILE 50 1.565 2.003 2.156 412 HG12 ILE 50 2HG1 ILE 50 3.624 -0.258 2.127 413 HG13 ILE 50 3HG1 ILE 50 3.913 1.376 1.552 414 HG21 ILE 50 1HG2 ILE 50 1.212 0.359 3.982 415 HG22 ILE 50 2HG2 ILE 50 1.165 -0.941 2.789 416 HG23 ILE 50 3HG2 ILE 50 -0.084 0.307 2.784 417 HD11 ILE 50 1HD1 ILE 50 4.894 1.053 3.716 418 HD12 ILE 50 2HD1 ILE 50 3.343 0.559 4.393 419 HD13 ILE 50 3HD1 ILE 50 3.575 2.217 3.830 420 H VAL 51 H VAL 51 -0.385 -1.031 -0.188 421 HA VAL 51 HA VAL 51 -2.469 1.051 -0.592 422 HB VAL 51 HB VAL 51 -2.186 -1.607 -2.066 423 HG11 VAL 51 1HG1 VAL 51 -4.181 0.643 -2.524 424 HG12 VAL 51 2HG1 VAL 51 -4.552 -0.953 -1.870 425 HG13 VAL 51 3HG1 VAL 51 -4.011 -0.790 -3.546 426 HG21 VAL 51 1HG2 VAL 51 -1.628 -0.257 -4.063 427 HG22 VAL 51 2HG2 VAL 51 -0.437 -0.042 -2.778 428 HG23 VAL 51 3HG2 VAL 51 -1.650 1.206 -3.076 429 H LYS 52 H LYS 52 -4.057 0.924 0.894 430 HA LYS 52 HA LYS 52 -4.822 -1.672 2.087 431 HB2 LYS 52 2HB LYS 52 -4.179 -0.041 3.767 432 HB3 LYS 52 3HB LYS 52 -5.190 1.195 3.033 433 HG2 LYS 52 2HG LYS 52 -6.225 0.393 5.081 434 HG3 LYS 52 3HG LYS 52 -7.223 -0.042 3.698 435 HD2 LYS 52 2HD LYS 52 -6.449 -2.353 3.819 436 HD3 LYS 52 3HD LYS 52 -5.308 -1.944 5.106 437 HE2 LYS 52 2HE LYS 52 -7.404 -3.057 5.925 438 HE3 LYS 52 3HE LYS 52 -7.126 -1.473 6.646 439 HZ1 LYS 52 1HZ LYS 52 -8.790 -0.516 5.258 440 HZ2 LYS 52 2HZ LYS 52 -9.451 -1.924 5.927 441 HZ3 LYS 52 3HZ LYS 52 -8.922 -1.919 4.328 442 H THR 53 H THR 53 -6.345 -2.542 0.756 443 HA THR 53 HA THR 53 -8.980 -1.481 0.806 444 HB THR 53 HB THR 53 -8.230 -0.061 -1.078 445 HG1 THR 53 HG1 THR 53 -9.847 -0.718 -2.563 446 HG21 THR 53 1HG2 THR 53 -6.418 -1.469 -1.991 447 HG22 THR 53 2HG2 THR 53 -7.566 -1.005 -3.247 448 HG23 THR 53 3HG2 THR 53 -7.616 -2.633 -2.567 449 H GLU 54 H GLU 54 -10.541 -2.927 -0.226 450 HA GLU 54 HA GLU 54 -9.616 -5.736 -0.346 451 HB2 GLU 54 2HB GLU 54 -12.405 -4.602 0.116 452 HB3 GLU 54 3HB GLU 54 -12.009 -6.319 0.049 453 HG2 GLU 54 2HG GLU 54 -10.529 -6.027 2.031 454 HG3 GLU 54 3HG GLU 54 -11.007 -4.333 2.115 455 H ASP 55 H ASP 55 -10.401 -3.212 -2.429 456 HA ASP 55 HA ASP 55 -11.770 -4.751 -4.464 457 HB2 ASP 55 2HB ASP 55 -12.003 -2.229 -4.237 458 HB3 ASP 55 3HB ASP 55 -10.351 -2.077 -4.831 459 H LYS 56 H LYS 56 -10.634 -6.472 -5.052 460 HA LYS 56 HA LYS 56 -7.860 -6.772 -5.179 461 HB2 LYS 56 2HB LYS 56 -10.039 -8.375 -6.565 462 HB3 LYS 56 3HB LYS 56 -8.356 -8.879 -6.432 463 HG2 LYS 56 2HG LYS 56 -8.551 -8.949 -3.985 464 HG3 LYS 56 3HG LYS 56 -10.232 -8.420 -4.095 465 HD2 LYS 56 2HD LYS 56 -10.106 -10.853 -3.763 466 HD3 LYS 56 3HD LYS 56 -10.816 -10.472 -5.331 467 HE2 LYS 56 2HE LYS 56 -8.570 -10.915 -6.387 468 HE3 LYS 56 3HE LYS 56 -7.973 -11.419 -4.802 469 HZ1 LYS 56 1HZ LYS 56 -9.590 -13.185 -4.772 470 HZ2 LYS 56 2HZ LYS 56 -8.682 -13.289 -6.192 471 HZ3 LYS 56 3HZ LYS 56 -10.254 -12.668 -6.238 472 H GLU 57 H GLU 57 -10.110 -5.598 -7.613 473 HA GLU 57 HA GLU 57 -8.485 -5.933 -9.919 474 HB2 GLU 57 2HB GLU 57 -10.713 -3.934 -9.358 475 HB3 GLU 57 3HB GLU 57 -9.977 -4.171 -10.940 476 HG2 GLU 57 2HG GLU 57 -11.549 -6.243 -9.372 477 HG3 GLU 57 3HG GLU 57 -12.140 -5.326 -10.757 478 H SER 58 H SER 58 -8.882 -3.250 -7.585 479 HA SER 58 HA SER 58 -7.154 -1.362 -8.826 480 HB2 SER 58 2HB SER 58 -7.855 -1.653 -5.866 481 HB3 SER 58 3HB SER 58 -7.114 -0.231 -6.614 482 HG SER 58 HG SER 58 -9.492 -1.209 -7.683 483 H ILE 59 H ILE 59 -6.693 -3.676 -6.181 484 HA ILE 59 HA ILE 59 -4.042 -3.185 -5.496 485 HB ILE 59 HB ILE 59 -5.541 -5.846 -5.423 486 HG12 ILE 59 2HG1 ILE 59 -5.222 -3.738 -3.233 487 HG13 ILE 59 3HG1 ILE 59 -6.679 -3.990 -4.187 488 HG21 ILE 59 1HG2 ILE 59 -3.133 -6.233 -5.176 489 HG22 ILE 59 2HG2 ILE 59 -3.954 -6.516 -3.643 490 HG23 ILE 59 3HG2 ILE 59 -3.047 -5.025 -3.892 491 HD11 ILE 59 1HD1 ILE 59 -6.917 -4.980 -2.008 492 HD12 ILE 59 2HD1 ILE 59 -5.464 -5.951 -2.238 493 HD13 ILE 59 3HD1 ILE 59 -6.895 -6.249 -3.231 494 H SER 60 H SER 60 -5.333 -5.525 -7.845 495 HA SER 60 HA SER 60 -3.020 -6.749 -8.763 496 HB2 SER 60 2HB SER 60 -5.272 -7.567 -9.317 497 HB3 SER 60 3HB SER 60 -5.597 -6.125 -10.267 498 HG SER 60 HG SER 60 -3.328 -7.458 -11.031 499 H GLU 61 H GLU 61 -4.693 -3.877 -10.152 500 HA GLU 61 HA GLU 61 -2.894 -3.507 -12.296 501 HB2 GLU 61 2HB GLU 61 -4.811 -1.521 -11.020 502 HB3 GLU 61 3HB GLU 61 -3.967 -1.256 -12.545 503 HG2 GLU 61 2HG GLU 61 -6.061 -3.364 -11.956 504 HG3 GLU 61 3HG GLU 61 -6.240 -1.952 -12.990 505 H ILE 62 H ILE 62 -2.994 -2.005 -9.058 506 HA ILE 62 HA ILE 62 -0.875 -0.198 -9.384 507 HB ILE 62 HB ILE 62 -2.117 -1.495 -6.956 508 HG12 ILE 62 2HG1 ILE 62 -2.285 0.965 -6.226 509 HG13 ILE 62 3HG1 ILE 62 -1.626 1.402 -7.795 510 HG21 ILE 62 1HG2 ILE 62 -0.481 -0.370 -5.427 511 HG22 ILE 62 2HG2 ILE 62 0.531 -0.013 -6.822 512 HG23 ILE 62 3HG2 ILE 62 0.227 -1.688 -6.352 513 HD11 ILE 62 1HD1 ILE 62 -4.234 0.000 -7.270 514 HD12 ILE 62 2HD1 ILE 62 -3.584 0.384 -8.869 515 HD13 ILE 62 3HD1 ILE 62 -4.008 1.683 -7.752 516 H ILE 63 H ILE 63 -0.816 -3.587 -8.158 517 HA ILE 63 HA ILE 63 1.962 -3.688 -7.633 518 HB ILE 63 HB ILE 63 0.082 -6.010 -8.236 519 HG12 ILE 63 2HG1 ILE 63 1.018 -4.906 -5.550 520 HG13 ILE 63 3HG1 ILE 63 -0.563 -4.603 -6.266 521 HG21 ILE 63 1HG2 ILE 63 1.750 -7.456 -7.094 522 HG22 ILE 63 2HG2 ILE 63 2.845 -6.078 -6.943 523 HG23 ILE 63 3HG2 ILE 63 2.432 -6.710 -8.538 524 HD11 ILE 63 1HD1 ILE 63 0.523 -7.272 -5.396 525 HD12 ILE 63 2HD1 ILE 63 -1.031 -7.012 -6.200 526 HD13 ILE 63 3HD1 ILE 63 -0.730 -6.315 -4.613 527 H LYS 64 H LYS 64 0.097 -4.504 -10.546 528 HA LYS 64 HA LYS 64 2.094 -5.626 -12.147 529 HB2 LYS 64 2HB LYS 64 -0.309 -3.903 -12.857 530 HB3 LYS 64 3HB LYS 64 0.712 -4.656 -14.080 531 HG2 LYS 64 2HG LYS 64 0.072 -6.863 -13.393 532 HG3 LYS 64 3HG LYS 64 -0.713 -6.257 -11.931 533 HD2 LYS 64 2HD LYS 64 -2.354 -6.869 -13.701 534 HD3 LYS 64 3HD LYS 64 -2.453 -5.167 -13.250 535 HE2 LYS 64 2HE LYS 64 -1.098 -4.600 -15.284 536 HE3 LYS 64 3HE LYS 64 -1.127 -6.307 -15.736 537 HZ1 LYS 64 1HZ LYS 64 -3.471 -6.222 -15.982 538 HZ2 LYS 64 2HZ LYS 64 -2.830 -4.912 -16.838 539 HZ3 LYS 64 3HZ LYS 64 -3.560 -4.666 -15.332 540 H GLN 65 H GLN 65 1.129 -2.211 -11.702 541 HA GLN 65 HA GLN 65 3.218 -1.195 -13.404 542 HB2 GLN 65 2HB GLN 65 1.397 0.252 -11.451 543 HB3 GLN 65 3HB GLN 65 2.469 1.036 -12.608 544 HG2 GLN 65 2HG GLN 65 0.012 -0.633 -13.191 545 HG3 GLN 65 3HG GLN 65 0.279 1.072 -13.551 546 HE21 GLN 65 1HE2 GLN 65 1.810 1.587 -15.204 547 HE22 GLN 65 2HE2 GLN 65 2.153 0.472 -16.482 548 H VAL 66 H VAL 66 3.104 -2.088 -10.054 549 HA VAL 66 HA VAL 66 5.492 -0.685 -9.249 550 HB VAL 66 HB VAL 66 4.065 -3.083 -7.996 551 HG11 VAL 66 1HG1 VAL 66 5.403 -2.657 -5.969 552 HG12 VAL 66 2HG1 VAL 66 6.266 -1.367 -6.796 553 HG13 VAL 66 3HG1 VAL 66 6.453 -3.035 -7.331 554 HG21 VAL 66 1HG2 VAL 66 2.714 -1.015 -8.001 555 HG22 VAL 66 2HG2 VAL 66 4.028 -0.146 -7.211 556 HG23 VAL 66 3HG2 VAL 66 3.196 -1.449 -6.360 557 H LEU 67 H LEU 67 4.717 -3.866 -10.627 558 HA LEU 67 HA LEU 67 7.355 -4.971 -10.485 559 HB2 LEU 67 2HB LEU 67 5.061 -5.704 -12.357 560 HB3 LEU 67 3HB LEU 67 6.507 -6.667 -12.097 561 HG LEU 67 HG LEU 67 4.354 -6.113 -10.015 562 HD11 LEU 67 1HD1 LEU 67 3.563 -7.618 -11.764 563 HD12 LEU 67 2HD1 LEU 67 3.740 -8.456 -10.225 564 HD13 LEU 67 3HD1 LEU 67 4.948 -8.682 -11.495 565 HD21 LEU 67 1HD2 LEU 67 6.532 -6.348 -8.934 566 HD22 LEU 67 2HD2 LEU 67 6.809 -7.878 -9.774 567 HD23 LEU 67 3HD2 LEU 67 5.506 -7.737 -8.588 568 H ASP 68 H ASP 68 5.484 -3.124 -12.852 569 HA ASP 68 HA ASP 68 7.345 -2.826 -14.921 570 HB2 ASP 68 2HB ASP 68 5.064 -2.192 -15.312 571 HB3 ASP 68 3HB ASP 68 5.036 -1.121 -13.921 572 H SER 69 H SER 69 6.919 -0.986 -11.883 573 HA SER 69 HA SER 69 9.021 0.888 -12.459 574 HB2 SER 69 2HB SER 69 7.535 0.299 -9.874 575 HB3 SER 69 3HB SER 69 8.729 1.577 -10.054 576 HG SER 69 HG SER 69 6.229 1.336 -11.363 577 H GLY 70 H GLY 70 8.896 -2.300 -11.092 578 HA2 GLY 70 2HA GLY 70 10.396 -3.625 -9.980 579 HA3 GLY 70 3HA GLY 70 11.670 -2.547 -10.538 580 H ALA 71 H ALA 71 8.853 -1.934 -8.492 581 HA ALA 71 HA ALA 71 10.541 -0.618 -6.458 582 HB1 ALA 71 1HB ALA 71 8.453 0.625 -5.900 583 HB2 ALA 71 2HB ALA 71 7.615 -0.232 -7.198 584 HB3 ALA 71 3HB ALA 71 8.948 0.859 -7.577 585 H LYS 72 H LYS 72 9.443 -0.651 -4.200 586 HA LYS 72 HA LYS 72 8.705 -3.417 -3.472 587 HB2 LYS 72 2HB LYS 72 9.608 -0.987 -1.898 588 HB3 LYS 72 3HB LYS 72 8.728 -2.254 -1.061 589 HG2 LYS 72 2HG LYS 72 11.129 -2.539 -0.759 590 HG3 LYS 72 3HG LYS 72 10.452 -3.891 -1.663 591 HD2 LYS 72 2HD LYS 72 12.579 -3.269 -2.644 592 HD3 LYS 72 3HD LYS 72 11.293 -2.858 -3.781 593 HE2 LYS 72 2HE LYS 72 12.923 -1.061 -3.727 594 HE3 LYS 72 3HE LYS 72 11.430 -0.476 -2.993 595 HZ1 LYS 72 1HZ LYS 72 12.412 -0.829 -0.810 596 HZ2 LYS 72 2HZ LYS 72 13.406 0.172 -1.745 597 HZ3 LYS 72 3HZ LYS 72 13.822 -1.452 -1.516 598 H VAL 73 H VAL 73 6.677 -3.983 -2.685 599 HA VAL 73 HA VAL 73 4.659 -1.873 -2.297 600 HB VAL 73 HB VAL 73 4.299 -2.558 -4.582 601 HG11 VAL 73 1HG1 VAL 73 4.152 -5.439 -3.645 602 HG12 VAL 73 2HG1 VAL 73 5.407 -4.721 -4.655 603 HG13 VAL 73 3HG1 VAL 73 3.762 -4.875 -5.272 604 HG21 VAL 73 1HG2 VAL 73 2.152 -3.809 -2.831 605 HG22 VAL 73 2HG2 VAL 73 1.955 -3.310 -4.515 606 HG23 VAL 73 3HG2 VAL 73 2.279 -2.103 -3.269 607 H LEU 74 H LEU 74 3.412 -2.173 -0.624 608 HA LEU 74 HA LEU 74 3.181 -4.782 0.725 609 HB2 LEU 74 2HB LEU 74 4.368 -3.261 2.176 610 HB3 LEU 74 3HB LEU 74 3.244 -1.958 1.841 611 HG LEU 74 HG LEU 74 1.466 -3.116 3.117 612 HD11 LEU 74 1HD1 LEU 74 1.946 -5.127 4.445 613 HD12 LEU 74 2HD1 LEU 74 3.520 -5.269 3.656 614 HD13 LEU 74 3HD1 LEU 74 2.037 -5.427 2.711 615 HD21 LEU 74 1HD2 LEU 74 4.038 -2.860 4.701 616 HD22 LEU 74 2HD2 LEU 74 2.399 -2.861 5.364 617 HD23 LEU 74 3HD2 LEU 74 2.918 -1.552 4.304 618 H ILE 75 H ILE 75 1.161 -5.595 0.595 619 HA ILE 75 HA ILE 75 -1.121 -3.779 0.073 620 HB ILE 75 HB ILE 75 -0.868 -6.767 -0.460 621 HG12 ILE 75 2HG1 ILE 75 0.422 -5.478 -2.078 622 HG13 ILE 75 3HG1 ILE 75 -1.022 -6.092 -2.869 623 HG21 ILE 75 1HG2 ILE 75 -3.229 -4.933 -1.023 624 HG22 ILE 75 2HG2 ILE 75 -3.187 -6.245 0.153 625 HG23 ILE 75 3HG2 ILE 75 -3.091 -6.610 -1.572 626 HD11 ILE 75 1HD1 ILE 75 -2.055 -3.871 -2.673 627 HD12 ILE 75 2HD1 ILE 75 -0.537 -3.847 -3.568 628 HD13 ILE 75 3HD1 ILE 75 -0.579 -3.270 -1.905 629 H LEU 76 H LEU 76 -2.238 -3.338 1.801 630 HA LEU 76 HA LEU 76 -2.587 -5.303 3.971 631 HB2 LEU 76 2HB LEU 76 -2.929 -2.268 3.958 632 HB3 LEU 76 3HB LEU 76 -3.187 -3.308 5.355 633 HG LEU 76 HG LEU 76 -0.506 -2.985 3.930 634 HD11 LEU 76 1HD1 LEU 76 -1.363 -1.771 6.560 635 HD12 LEU 76 2HD1 LEU 76 -1.137 -0.902 5.041 636 HD13 LEU 76 3HD1 LEU 76 0.241 -1.671 5.823 637 HD21 LEU 76 1HD2 LEU 76 0.430 -4.166 5.865 638 HD22 LEU 76 2HD2 LEU 76 -0.750 -5.159 5.016 639 HD23 LEU 76 3HD2 LEU 76 -1.192 -4.376 6.536 640 H SER 77 H SER 77 -4.606 -6.073 4.336 641 HA SER 77 HA SER 77 -6.987 -4.697 3.439 642 HB2 SER 77 2HB SER 77 -6.333 -5.956 1.375 643 HB3 SER 77 3HB SER 77 -6.343 -7.464 2.290 644 HG SER 77 HG SER 77 -8.346 -6.389 1.043 645 H SER 78 H SER 78 -8.729 -5.275 4.630 646 HA SER 78 HA SER 78 -8.468 -6.543 7.099 647 HB2 SER 78 2HB SER 78 -11.018 -6.071 5.493 648 HB3 SER 78 3HB SER 78 -10.920 -6.325 7.240 649 HG SER 78 HG SER 78 -10.904 -4.190 7.132 650 H ASP 79 H ASP 79 -9.433 -7.797 3.950 651 HA ASP 79 HA ASP 79 -10.346 -10.355 5.032 652 HB2 ASP 79 2HB ASP 79 -11.661 -9.145 3.277 653 HB3 ASP 79 3HB ASP 79 -10.308 -9.331 2.164 654 H GLU 80 H GLU 80 -9.079 -12.054 5.165 655 HA GLU 80 HA GLU 80 -6.311 -12.019 4.467 656 HB2 GLU 80 2HB GLU 80 -6.214 -14.232 5.519 657 HB3 GLU 80 3HB GLU 80 -7.127 -13.114 6.524 658 HG2 GLU 80 2HG GLU 80 -9.236 -14.101 5.770 659 HG3 GLU 80 3HG GLU 80 -8.372 -15.191 4.684 660 H ASN 81 H ASN 81 -9.166 -13.237 2.852 661 HA ASN 81 HA ASN 81 -7.896 -15.325 1.313 662 HB2 ASN 81 2HB ASN 81 -10.530 -13.892 0.690 663 HB3 ASN 81 3HB ASN 81 -9.996 -15.445 0.045 664 HD21 ASN 81 1HD2 ASN 81 -11.319 -13.778 2.822 665 HD22 ASN 81 2HD2 ASN 81 -11.748 -15.207 3.700 666 H ILE 82 H ILE 82 -8.688 -11.918 0.912 667 HA ILE 82 HA ILE 82 -7.784 -11.572 -1.771 668 HB ILE 82 HB ILE 82 -8.116 -9.604 0.532 669 HG12 ILE 82 2HG1 ILE 82 -9.861 -10.136 -1.909 670 HG13 ILE 82 3HG1 ILE 82 -10.185 -10.737 -0.289 671 HG21 ILE 82 1HG2 ILE 82 -8.000 -7.762 -1.129 672 HG22 ILE 82 2HG2 ILE 82 -7.586 -8.928 -2.387 673 HG23 ILE 82 3HG2 ILE 82 -6.477 -8.649 -1.044 674 HD11 ILE 82 1HD1 ILE 82 -10.178 -7.862 -1.169 675 HD12 ILE 82 2HD1 ILE 82 -10.434 -8.423 0.487 676 HD13 ILE 82 3HD1 ILE 82 -11.578 -8.860 -0.780 677 H ILE 83 H ILE 83 -6.273 -10.941 1.417 678 HA ILE 83 HA ILE 83 -3.748 -10.076 0.649 679 HB ILE 83 HB ILE 83 -4.760 -11.620 3.058 680 HG12 ILE 83 2HG1 ILE 83 -5.505 -9.284 2.858 681 HG13 ILE 83 3HG1 ILE 83 -4.407 -9.428 4.227 682 HG21 ILE 83 1HG2 ILE 83 -1.909 -10.627 2.800 683 HG22 ILE 83 2HG2 ILE 83 -2.423 -12.309 2.906 684 HG23 ILE 83 3HG2 ILE 83 -2.654 -11.230 4.282 685 HD11 ILE 83 1HD1 ILE 83 -3.708 -8.335 1.500 686 HD12 ILE 83 2HD1 ILE 83 -2.596 -8.487 2.864 687 HD13 ILE 83 3HD1 ILE 83 -3.984 -7.406 2.973 688 H GLU 84 H GLU 84 -4.777 -13.434 1.147 689 HA GLU 84 HA GLU 84 -2.237 -14.571 0.435 690 HB2 GLU 84 2HB GLU 84 -3.798 -15.556 2.099 691 HB3 GLU 84 3HB GLU 84 -4.926 -15.945 0.796 692 HG2 GLU 84 2HG GLU 84 -3.235 -17.452 -0.208 693 HG3 GLU 84 3HG GLU 84 -2.101 -17.039 1.079 694 H SER 85 H SER 85 -5.225 -13.832 -1.331 695 HA SER 85 HA SER 85 -4.705 -15.341 -3.683 696 HB2 SER 85 2HB SER 85 -6.937 -14.347 -3.204 697 HB3 SER 85 3HB SER 85 -6.261 -12.728 -3.369 698 HG SER 85 HG SER 85 -6.917 -14.607 -5.309 699 H ILE 86 H ILE 86 -3.824 -12.125 -2.581 700 HA ILE 86 HA ILE 86 -2.557 -11.225 -4.961 701 HB ILE 86 HB ILE 86 -2.476 -10.238 -2.081 702 HG12 ILE 86 2HG1 ILE 86 -4.701 -9.997 -3.032 703 HG13 ILE 86 3HG1 ILE 86 -3.974 -8.397 -2.990 704 HG21 ILE 86 1HG2 ILE 86 -1.535 -8.115 -2.939 705 HG22 ILE 86 2HG2 ILE 86 -1.359 -8.860 -4.530 706 HG23 ILE 86 3HG2 ILE 86 -0.438 -9.479 -3.160 707 HD11 ILE 86 1HD1 ILE 86 -4.311 -10.173 -5.406 708 HD12 ILE 86 2HD1 ILE 86 -3.469 -8.618 -5.406 709 HD13 ILE 86 3HD1 ILE 86 -5.187 -8.693 -5.023 710 H ARG 87 H ARG 87 -1.440 -12.929 -2.047 711 HA ARG 87 HA ARG 87 1.351 -12.809 -2.691 712 HB2 ARG 87 2HB ARG 87 -0.223 -14.609 -0.843 713 HB3 ARG 87 3HB ARG 87 1.488 -14.900 -1.137 714 HG2 ARG 87 2HG ARG 87 1.892 -12.493 -0.395 715 HG3 ARG 87 3HG ARG 87 0.216 -12.481 0.168 716 HD2 ARG 87 2HD ARG 87 0.721 -14.408 1.652 717 HD3 ARG 87 3HD ARG 87 2.393 -14.411 1.081 718 HE ARG 87 HE ARG 87 1.129 -12.520 2.910 719 HH11 ARG 87 1HH1 ARG 87 4.030 -13.274 1.055 720 HH12 ARG 87 2HH1 ARG 87 5.041 -12.216 1.987 721 HH21 ARG 87 1HH2 ARG 87 2.519 -11.180 4.138 722 HH22 ARG 87 2HH2 ARG 87 4.197 -11.046 3.708 723 H LYS 88 H LYS 88 -1.176 -15.274 -3.435 724 HA LYS 88 HA LYS 88 0.697 -17.140 -4.557 725 HB2 LYS 88 2HB LYS 88 -1.243 -18.455 -5.307 726 HB3 LYS 88 3HB LYS 88 -1.401 -17.979 -3.622 727 HG2 LYS 88 2HG LYS 88 -2.969 -16.179 -4.293 728 HG3 LYS 88 3HG LYS 88 -2.849 -16.705 -5.972 729 HD2 LYS 88 2HD LYS 88 -3.833 -18.488 -3.706 730 HD3 LYS 88 3HD LYS 88 -4.902 -17.510 -4.710 731 HE2 LYS 88 2HE LYS 88 -3.057 -19.674 -5.794 732 HE3 LYS 88 3HE LYS 88 -4.767 -19.906 -5.426 733 HZ1 LYS 88 1HZ LYS 88 -4.486 -19.461 -7.756 734 HZ2 LYS 88 2HZ LYS 88 -3.638 -18.036 -7.443 735 HZ3 LYS 88 3HZ LYS 88 -5.284 -18.148 -7.046 736 H GLN 89 H GLN 89 -1.318 -14.566 -5.934 737 HA GLN 89 HA GLN 89 -0.648 -15.091 -8.671 738 HB2 GLN 89 2HB GLN 89 -1.716 -12.592 -7.287 739 HB3 GLN 89 3HB GLN 89 -1.509 -12.719 -9.033 740 HG2 GLN 89 2HG GLN 89 -3.160 -14.517 -9.128 741 HG3 GLN 89 3HG GLN 89 -3.330 -14.486 -7.371 742 HE21 GLN 89 1HE2 GLN 89 -4.463 -12.749 -6.404 743 HE22 GLN 89 2HE2 GLN 89 -5.456 -11.676 -7.322 744 H TYR 90 H TYR 90 0.653 -12.977 -6.135 745 HA TYR 90 HA TYR 90 2.956 -12.250 -7.876 746 HB2 TYR 90 2HB TYR 90 1.693 -10.437 -5.773 747 HB3 TYR 90 3HB TYR 90 2.975 -10.017 -6.900 748 HD1 TYR 90 HD1 TYR 90 2.405 -9.931 -9.417 749 HD2 TYR 90 HD2 TYR 90 -0.596 -10.112 -6.365 750 HE1 TYR 90 HE1 TYR 90 0.736 -9.083 -11.005 751 HE2 TYR 90 HE2 TYR 90 -2.271 -9.277 -7.960 752 HH TYR 90 HH TYR 90 -1.673 -9.103 -11.322 753 HA PRO 91 HA PRO 91 4.773 -14.482 -4.234 754 HB2 PRO 91 2HB PRO 91 7.200 -14.481 -5.979 755 HB3 PRO 91 3HB PRO 91 6.383 -15.844 -5.187 756 HG2 PRO 91 2HG PRO 91 6.247 -15.402 -7.853 757 HG3 PRO 91 3HG PRO 91 4.943 -16.183 -6.935 758 HD2 PRO 91 2HD PRO 91 5.073 -13.409 -8.046 759 HD3 PRO 91 3HD PRO 91 3.670 -14.468 -7.808 760 H LYS 92 H LYS 92 6.090 -11.788 -6.091 761 HA LYS 92 HA LYS 92 8.194 -11.186 -4.209 762 HB2 LYS 92 2HB LYS 92 7.232 -9.636 -6.642 763 HB3 LYS 92 3HB LYS 92 8.693 -9.271 -5.719 764 HG2 LYS 92 2HG LYS 92 9.545 -11.566 -6.262 765 HG3 LYS 92 3HG LYS 92 8.134 -11.808 -7.298 766 HD2 LYS 92 2HD LYS 92 8.873 -9.909 -8.720 767 HD3 LYS 92 3HD LYS 92 10.272 -9.666 -7.667 768 HE2 LYS 92 2HE LYS 92 9.709 -12.116 -9.385 769 HE3 LYS 92 3HE LYS 92 10.952 -10.898 -9.671 770 HZ1 LYS 92 1HZ LYS 92 12.040 -11.575 -7.618 771 HZ2 LYS 92 2HZ LYS 92 11.871 -12.892 -8.665 772 HZ3 LYS 92 3HZ LYS 92 10.842 -12.734 -7.333 773 H VAL 93 H VAL 93 4.872 -10.262 -4.209 774 HA VAL 93 HA VAL 93 5.295 -7.693 -2.898 775 HB VAL 93 HB VAL 93 3.299 -7.972 -4.359 776 HG11 VAL 93 1HG1 VAL 93 2.275 -9.960 -2.300 777 HG12 VAL 93 2HG1 VAL 93 2.790 -10.333 -3.942 778 HG13 VAL 93 3HG1 VAL 93 1.365 -9.336 -3.682 779 HG21 VAL 93 1HG2 VAL 93 3.204 -6.293 -2.546 780 HG22 VAL 93 2HG2 VAL 93 2.503 -7.493 -1.462 781 HG23 VAL 93 3HG2 VAL 93 1.603 -6.958 -2.885 782 H GLU 94 H GLU 94 5.300 -7.324 -0.715 783 HA GLU 94 HA GLU 94 4.737 -9.458 1.207 784 HB2 GLU 94 2HB GLU 94 5.966 -6.709 1.372 785 HB3 GLU 94 3HB GLU 94 5.136 -7.284 2.811 786 HG2 GLU 94 2HG GLU 94 7.374 -8.807 1.427 787 HG3 GLU 94 3HG GLU 94 7.608 -7.710 2.790 788 H THR 95 H THR 95 2.728 -9.747 1.987 789 HA THR 95 HA THR 95 0.794 -7.488 1.960 790 HB THR 95 HB THR 95 -1.030 -9.037 1.509 791 HG1 THR 95 HG1 THR 95 -0.623 -11.259 1.221 792 HG21 THR 95 1HG2 THR 95 1.232 -9.632 -0.432 793 HG22 THR 95 2HG2 THR 95 0.141 -8.248 -0.519 794 HG23 THR 95 3HG2 THR 95 -0.487 -9.881 -0.742 795 H ARG 96 H ARG 96 -0.870 -7.683 3.664 796 HA ARG 96 HA ARG 96 -0.460 -9.534 5.846 797 HB2 ARG 96 2HB ARG 96 1.285 -7.991 6.469 798 HB3 ARG 96 3HB ARG 96 0.257 -6.601 6.165 799 HG2 ARG 96 2HG ARG 96 -1.152 -7.217 8.112 800 HG3 ARG 96 3HG ARG 96 -0.099 -8.599 8.419 801 HD2 ARG 96 2HD ARG 96 1.760 -7.153 8.936 802 HD3 ARG 96 3HD ARG 96 0.863 -5.725 8.402 803 HE ARG 96 HE ARG 96 -0.604 -6.961 10.439 804 HH11 ARG 96 1HH1 ARG 96 2.469 -5.305 10.108 805 HH12 ARG 96 2HH1 ARG 96 2.458 -4.712 11.732 806 HH21 ARG 96 1HH2 ARG 96 -0.626 -6.160 12.560 807 HH22 ARG 96 2HH2 ARG 96 0.703 -5.200 13.120 808 H ARG 97 H ARG 97 -2.365 -9.999 6.640 809 HA ARG 97 HA ARG 97 -4.813 -8.716 6.184 810 HB2 ARG 97 2HB ARG 97 -4.551 -11.108 6.910 811 HB3 ARG 97 3HB ARG 97 -4.002 -10.556 8.488 812 HG2 ARG 97 2HG ARG 97 -6.322 -9.373 8.651 813 HG3 ARG 97 3HG ARG 97 -6.782 -10.402 7.292 814 HD2 ARG 97 2HD ARG 97 -5.908 -11.268 10.066 815 HD3 ARG 97 3HD ARG 97 -7.493 -11.491 9.323 816 HE ARG 97 HE ARG 97 -5.660 -12.808 7.702 817 HH11 ARG 97 1HH1 ARG 97 -6.785 -13.130 11.017 818 HH12 ARG 97 2HH1 ARG 97 -6.487 -14.833 11.077 819 HH21 ARG 97 1HH2 ARG 97 -5.280 -15.045 7.790 820 HH22 ARG 97 2HH2 ARG 97 -5.629 -15.927 9.243 821 H ALA 98 H ALA 98 -5.414 -6.763 6.975 822 HA ALA 98 HA ALA 98 -4.719 -5.961 9.713 823 HB1 ALA 98 1HB ALA 98 -4.154 -3.674 8.938 824 HB2 ALA 98 2HB ALA 98 -4.344 -4.189 7.258 825 HB3 ALA 98 3HB ALA 98 -3.050 -4.868 8.247 826 H GLN 99 H GLN 99 -6.693 -6.073 10.507 827 HA GLN 99 HA GLN 99 -9.063 -5.260 8.978 828 HB2 GLN 99 2HB GLN 99 -8.824 -6.733 11.648 829 HB3 GLN 99 3HB GLN 99 -10.335 -6.385 10.807 830 HG2 GLN 99 2HG GLN 99 -9.569 -7.771 8.888 831 HG3 GLN 99 3HG GLN 99 -8.101 -8.171 9.781 832 HE21 GLN 99 1HE2 GLN 99 -10.254 -9.901 8.753 833 HE22 GLN 99 2HE2 GLN 99 -10.829 -10.794 10.117 834 H ASP 100 H ASP 100 -6.898 -3.800 11.016 835 HA ASP 100 HA ASP 100 -8.865 -1.764 11.847 836 HB2 ASP 100 2HB ASP 100 -8.210 -3.472 13.745 837 HB3 ASP 100 3HB ASP 100 -6.642 -2.670 13.740 838 H LYS 101 H LYS 101 -7.921 0.280 12.245 839 HA LYS 101 HA LYS 101 -6.033 1.071 10.265 840 HB2 LYS 101 2HB LYS 101 -6.437 3.367 11.188 841 HB3 LYS 101 3HB LYS 101 -7.911 2.490 10.791 842 HG2 LYS 101 2HG LYS 101 -8.131 1.900 13.242 843 HG3 LYS 101 3HG LYS 101 -6.772 2.988 13.563 844 HD2 LYS 101 2HD LYS 101 -8.076 4.872 12.568 845 HD3 LYS 101 3HD LYS 101 -9.432 3.776 12.291 846 HE2 LYS 101 2HE LYS 101 -9.574 3.397 14.751 847 HE3 LYS 101 3HE LYS 101 -8.272 4.565 14.984 848 HZ1 LYS 101 1HZ LYS 101 -10.854 5.193 13.665 849 HZ2 LYS 101 2HZ LYS 101 -9.638 6.279 14.099 850 HZ3 LYS 101 3HZ LYS 101 -10.525 5.484 15.302 851 H GLU 102 H GLU 102 -5.794 0.373 13.649 852 HA GLU 102 HA GLU 102 -3.281 1.582 14.240 853 HB2 GLU 102 2HB GLU 102 -4.621 -0.844 15.531 854 HB3 GLU 102 3HB GLU 102 -3.269 0.068 16.215 855 HG2 GLU 102 2HG GLU 102 -4.727 2.079 16.215 856 HG3 GLU 102 3HG GLU 102 -6.078 1.082 15.716 857 H GLU 103 H GLU 103 -4.270 -1.675 13.360 858 HA GLU 103 HA GLU 103 -1.745 -2.925 13.160 859 HB2 GLU 103 2HB GLU 103 -4.372 -3.549 11.760 860 HB3 GLU 103 3HB GLU 103 -2.950 -4.584 11.626 861 HG2 GLU 103 2HG GLU 103 -4.413 -3.909 14.202 862 HG3 GLU 103 3HG GLU 103 -4.554 -5.421 13.307 863 H VAL 104 H VAL 104 -3.518 -0.951 10.821 864 HA VAL 104 HA VAL 104 -1.913 -1.559 8.545 865 HB VAL 104 HB VAL 104 -3.741 0.824 9.071 866 HG11 VAL 104 1HG1 VAL 104 -2.413 -0.014 6.466 867 HG12 VAL 104 2HG1 VAL 104 -2.079 1.460 7.370 868 HG13 VAL 104 3HG1 VAL 104 -3.647 1.226 6.610 869 HG21 VAL 104 1HG2 VAL 104 -4.918 -1.339 9.002 870 HG22 VAL 104 2HG2 VAL 104 -4.178 -1.712 7.444 871 HG23 VAL 104 3HG2 VAL 104 -5.320 -0.374 7.578 872 H LYS 105 H LYS 105 -1.983 1.344 10.689 873 HA LYS 105 HA LYS 105 0.133 2.687 9.388 874 HB2 LYS 105 2HB LYS 105 0.165 4.217 11.300 875 HB3 LYS 105 3HB LYS 105 -1.491 3.878 10.814 876 HG2 LYS 105 2HG LYS 105 -1.706 2.273 12.689 877 HG3 LYS 105 3HG LYS 105 -0.048 2.641 13.181 878 HD2 LYS 105 2HD LYS 105 -0.726 5.019 13.551 879 HD3 LYS 105 3HD LYS 105 -2.389 4.592 13.137 880 HE2 LYS 105 2HE LYS 105 -2.446 3.020 15.050 881 HE3 LYS 105 3HE LYS 105 -0.791 3.470 15.466 882 HZ1 LYS 105 1HZ LYS 105 -3.158 5.254 15.472 883 HZ2 LYS 105 2HZ LYS 105 -1.573 5.747 15.795 884 HZ3 LYS 105 3HZ LYS 105 -2.347 4.655 16.831 885 H ASP 106 H ASP 106 0.119 0.441 12.145 886 HA ASP 106 HA ASP 106 2.843 0.523 12.811 887 HB2 ASP 106 2HB ASP 106 0.821 -1.745 13.024 888 HB3 ASP 106 3HB ASP 106 2.445 -1.832 13.699 889 H ALA 107 H ALA 107 1.077 -1.514 10.441 890 HA ALA 107 HA ALA 107 3.237 -3.141 9.602 891 HB1 ALA 107 1HB ALA 107 0.886 -3.701 9.141 892 HB2 ALA 107 2HB ALA 107 1.828 -3.664 7.649 893 HB3 ALA 107 3HB ALA 107 0.758 -2.317 8.051 894 H VAL 108 H VAL 108 2.074 0.007 8.557 895 HA VAL 108 HA VAL 108 3.723 0.464 6.323 896 HB VAL 108 HB VAL 108 2.416 2.388 8.308 897 HG11 VAL 108 1HG1 VAL 108 4.335 3.547 7.291 898 HG12 VAL 108 2HG1 VAL 108 2.819 4.214 6.683 899 HG13 VAL 108 3HG1 VAL 108 3.764 3.110 5.680 900 HG21 VAL 108 1HG2 VAL 108 0.830 1.063 6.953 901 HG22 VAL 108 2HG2 VAL 108 1.616 1.614 5.473 902 HG23 VAL 108 3HG2 VAL 108 0.764 2.770 6.501 903 H GLU 109 H GLU 109 4.090 1.329 9.770 904 HA GLU 109 HA GLU 109 6.499 2.724 9.652 905 HB2 GLU 109 2HB GLU 109 4.965 2.767 11.584 906 HB3 GLU 109 3HB GLU 109 5.362 1.094 11.956 907 HG2 GLU 109 2HG GLU 109 7.708 1.763 12.399 908 HG3 GLU 109 3HG GLU 109 7.295 3.435 12.043 909 H GLU 110 H GLU 110 5.996 -0.688 10.569 910 HA GLU 110 HA GLU 110 8.676 -1.424 10.886 911 HB2 GLU 110 2HB GLU 110 6.100 -2.931 10.423 912 HB3 GLU 110 3HB GLU 110 7.611 -3.817 10.329 913 HG2 GLU 110 2HG GLU 110 6.702 -4.093 12.525 914 HG3 GLU 110 3HG GLU 110 8.157 -3.112 12.648 915 H PHE 111 H PHE 111 6.670 -1.320 7.963 916 HA PHE 111 HA PHE 111 8.412 -2.829 6.272 917 HB2 PHE 111 2HB PHE 111 5.938 -2.457 5.889 918 HB3 PHE 111 3HB PHE 111 6.288 -0.786 5.480 919 HD1 PHE 111 HD1 PHE 111 7.019 -4.312 4.447 920 HD2 PHE 111 HD2 PHE 111 6.789 -0.213 3.208 921 HE1 PHE 111 HE1 PHE 111 7.298 -4.995 2.100 922 HE2 PHE 111 HE2 PHE 111 7.078 -0.912 0.868 923 HZ PHE 111 HZ PHE 111 7.331 -3.298 0.311 924 H LEU 112 H LEU 112 8.051 0.599 7.067 925 HA LEU 112 HA LEU 112 9.856 1.577 5.053 926 HB2 LEU 112 2HB LEU 112 8.740 3.009 7.494 927 HB3 LEU 112 3HB LEU 112 9.580 3.779 6.154 928 HG LEU 112 HG LEU 112 6.847 2.454 6.079 929 HD11 LEU 112 1HD1 LEU 112 6.037 4.668 5.444 930 HD12 LEU 112 2HD1 LEU 112 7.667 5.323 5.630 931 HD13 LEU 112 3HD1 LEU 112 6.808 4.669 7.027 932 HD21 LEU 112 1HD2 LEU 112 6.712 3.068 3.710 933 HD22 LEU 112 2HD2 LEU 112 7.979 1.884 4.009 934 HD23 LEU 112 3HD2 LEU 112 8.403 3.578 3.740 935 H LYS 113 H LYS 113 10.212 0.656 8.455 936 HA LYS 113 HA LYS 113 12.769 1.878 8.869 937 HB2 LYS 113 2HB LYS 113 11.495 -0.464 10.343 938 HB3 LYS 113 3HB LYS 113 12.988 0.328 10.841 939 HG2 LYS 113 2HG LYS 113 11.591 2.502 10.937 940 HG3 LYS 113 3HG LYS 113 10.175 1.451 10.845 941 HD2 LYS 113 2HD LYS 113 10.994 0.264 12.901 942 HD3 LYS 113 3HD LYS 113 12.335 1.408 12.990 943 HE2 LYS 113 2HE LYS 113 9.382 2.041 13.273 944 HE3 LYS 113 3HE LYS 113 10.601 2.091 14.545 945 HZ1 LYS 113 1HZ LYS 113 10.076 4.290 13.732 946 HZ2 LYS 113 2HZ LYS 113 10.518 3.863 12.157 947 HZ3 LYS 113 3HZ LYS 113 11.684 3.912 13.379 948 H GLU 114 H GLU 114 11.729 -1.315 7.765 949 HA GLU 114 HA GLU 114 14.440 -2.307 7.395 950 HB2 GLU 114 2HB GLU 114 11.755 -3.499 6.574 951 HB3 GLU 114 3HB GLU 114 13.306 -4.334 6.515 952 HG2 GLU 114 2HG GLU 114 11.963 -3.313 9.037 953 HG3 GLU 114 3HG GLU 114 11.913 -4.980 8.466 954 H GLY 115 H GLY 115 12.072 -0.600 5.510 955 HA2 GLY 115 2HA GLY 115 12.399 0.500 3.507 956 HA3 GLY 115 3HA GLY 115 13.900 -0.367 3.262 957 H GLY 116 H GLY 116 12.006 -2.873 3.862 958 HA2 GLY 116 2HA GLY 116 10.170 -3.138 1.765 959 HA3 GLY 116 3HA GLY 116 11.726 -3.704 1.168 960 H SER 117 H SER 117 10.530 -4.025 4.488 961 HA SER 117 HA SER 117 9.781 -6.822 4.150 962 HB2 SER 117 2HB SER 117 12.134 -6.028 5.935 963 HB3 SER 117 3HB SER 117 11.314 -7.586 6.019 964 HG SER 117 HG SER 117 12.002 -7.071 3.480 965 H LEU 118 H LEU 118 8.145 -7.313 5.493 966 HA LEU 118 HA LEU 118 7.183 -5.470 7.505 967 HB2 LEU 118 2HB LEU 118 6.323 -8.231 6.586 968 HB3 LEU 118 3HB LEU 118 5.525 -7.403 7.917 969 HG LEU 118 HG LEU 118 5.646 -6.354 5.065 970 HD11 LEU 118 1HD1 LEU 118 4.311 -8.406 5.219 971 HD12 LEU 118 2HD1 LEU 118 3.295 -7.000 4.923 972 HD13 LEU 118 3HD1 LEU 118 3.365 -7.706 6.539 973 HD21 LEU 118 1HD2 LEU 118 4.127 -5.362 7.508 974 HD22 LEU 118 2HD2 LEU 118 3.953 -4.742 5.866 975 HD23 LEU 118 3HD2 LEU 118 5.483 -4.551 6.713 976 H GLU 119 H GLU 119 6.487 -6.524 9.657 977 HA GLU 119 HA GLU 119 8.575 -7.859 11.074 978 HB2 GLU 119 2HB GLU 119 6.490 -8.345 12.724 979 HB3 GLU 119 3HB GLU 119 7.273 -6.780 12.637 980 HG2 GLU 119 2HG GLU 119 4.843 -6.543 12.727 981 HG3 GLU 119 3HG GLU 119 5.484 -5.907 11.215 982 H HIS 120 H HIS 120 5.836 -8.936 9.170 983 HA HIS 120 HA HIS 120 5.838 -11.688 9.478 984 HB2 HIS 120 2HB HIS 120 4.255 -10.664 7.950 985 HB3 HIS 120 3HB HIS 120 5.543 -10.005 6.948 986 HD1 HIS 120 HD1 HIS 120 6.443 -11.468 5.095 987 HD2 HIS 120 HD2 HIS 120 3.897 -13.522 7.650 988 HE1 HIS 120 HE1 HIS 120 6.081 -13.708 4.037 989 HE2 HIS 120 HE2 HIS 120 4.388 -14.843 5.501 990 H HIS 121 H HIS 121 8.017 -9.673 7.502 991 HA HIS 121 HA HIS 121 9.799 -11.988 7.030 992 HB2 HIS 121 2HB HIS 121 8.883 -10.688 5.030 993 HB3 HIS 121 3HB HIS 121 9.834 -9.309 5.572 994 HD1 HIS 121 HD1 HIS 121 12.263 -9.268 4.894 995 HD2 HIS 121 HD2 HIS 121 10.500 -12.965 4.231 996 HE1 HIS 121 HE1 HIS 121 13.935 -10.582 3.582 997 HE2 HIS 121 HE2 HIS 121 12.764 -12.728 3.025 998 H HIS 122 H HIS 122 9.934 -11.236 9.510 999 HA HIS 122 HA HIS 122 11.797 -9.261 10.284 1000 HB2 HIS 122 2HB HIS 122 10.294 -10.396 11.877 1001 HB3 HIS 122 3HB HIS 122 11.096 -11.931 11.585 1002 HD1 HIS 122 HD1 HIS 122 12.935 -12.514 13.178 1003 HD2 HIS 122 HD2 HIS 122 12.077 -8.444 13.228 1004 HE1 HIS 122 HE1 HIS 122 14.305 -11.549 15.046 1005 HE2 HIS 122 HE2 HIS 122 13.787 -9.091 15.038 1006 H HIS 123 H HIS 123 12.135 -12.494 9.054 1007 HA HIS 123 HA HIS 123 15.013 -12.148 8.614 1008 HB2 HIS 123 2HB HIS 123 15.534 -14.397 9.470 1009 HB3 HIS 123 3HB HIS 123 14.814 -13.434 10.751 1010 HD1 HIS 123 HD1 HIS 123 14.474 -16.622 8.985 1011 HD2 HIS 123 HD2 HIS 123 12.014 -14.184 11.287 1012 HE1 HIS 123 HE1 HIS 123 12.561 -18.074 9.714 1013 HE2 HIS 123 HE2 HIS 123 11.163 -16.612 11.212 1014 H HIS 124 H HIS 124 15.640 -14.392 7.320 1015 HA HIS 124 HA HIS 124 13.893 -14.460 4.951 1016 HB2 HIS 124 2HB HIS 124 16.682 -15.628 5.395 1017 HB3 HIS 124 3HB HIS 124 15.800 -15.684 3.872 1018 HD1 HIS 124 HD1 HIS 124 18.160 -14.467 3.181 1019 HD2 HIS 124 HD2 HIS 124 15.419 -12.192 5.308 1020 HE1 HIS 124 HE1 HIS 124 18.841 -12.085 2.826 1021 HE2 HIS 124 HE2 HIS 124 17.300 -10.755 4.301 1022 H HIS 125 H HIS 125 13.043 -16.421 4.096 1023 HA HIS 125 HA HIS 125 12.356 -18.457 6.065 1024 HB2 HIS 125 2HB HIS 125 11.550 -18.153 3.133 1025 HB3 HIS 125 3HB HIS 125 10.911 -19.376 4.225 1026 HD1 HIS 125 HD1 HIS 125 9.726 -16.524 2.763 1027 HD2 HIS 125 HD2 HIS 125 9.924 -17.686 6.750 1028 HE1 HIS 125 HE1 HIS 125 7.962 -15.186 3.950 1029 HE2 HIS 125 HE2 HIS 125 7.941 -16.108 6.281 Start of MODEL 16 1 H1 MET 1 1H MET 1 15.716 10.654 -2.563 2 H2 MET 1 2H MET 1 14.702 11.044 -1.268 3 H3 MET 1 3H MET 1 15.523 12.270 -2.095 4 HA MET 1 HA MET 1 13.184 12.172 -2.678 5 HB2 MET 1 2HB MET 1 13.512 12.229 -5.136 6 HB3 MET 1 3HB MET 1 14.796 13.073 -4.291 7 HG2 MET 1 2HG MET 1 16.294 11.145 -4.631 8 HG3 MET 1 3HG MET 1 15.002 10.298 -5.487 9 HE1 MET 1 1HE MET 1 16.564 9.932 -7.643 10 HE2 MET 1 2HE MET 1 17.889 10.714 -6.778 11 HE3 MET 1 3HE MET 1 17.467 11.238 -8.408 12 H GLY 2 H GLY 2 14.131 9.325 -1.791 13 HA2 GLY 2 2HA GLY 2 12.791 7.426 -3.426 14 HA3 GLY 2 3HA GLY 2 13.224 7.236 -1.731 15 H LYS 3 H LYS 3 10.736 8.098 -3.954 16 HA LYS 3 HA LYS 3 9.008 9.472 -2.170 17 HB2 LYS 3 2HB LYS 3 9.105 9.746 -4.674 18 HB3 LYS 3 3HB LYS 3 8.318 8.183 -4.831 19 HG2 LYS 3 2HG LYS 3 6.712 9.985 -5.136 20 HG3 LYS 3 3HG LYS 3 6.320 9.070 -3.675 21 HD2 LYS 3 2HD LYS 3 7.284 10.820 -2.268 22 HD3 LYS 3 3HD LYS 3 7.872 11.692 -3.687 23 HE2 LYS 3 2HE LYS 3 5.527 12.089 -4.392 24 HE3 LYS 3 3HE LYS 3 4.961 11.233 -2.957 25 HZ1 LYS 3 1HZ LYS 3 4.925 13.627 -2.632 26 HZ2 LYS 3 2HZ LYS 3 6.585 13.726 -2.938 27 HZ3 LYS 3 3HZ LYS 3 6.024 12.901 -1.575 28 H VAL 4 H VAL 4 8.306 8.377 -0.430 29 HA VAL 4 HA VAL 4 7.050 5.743 -0.602 30 HB VAL 4 HB VAL 4 7.034 7.644 1.797 31 HG11 VAL 4 1HG1 VAL 4 6.683 4.624 1.646 32 HG12 VAL 4 2HG1 VAL 4 5.394 5.808 1.885 33 HG13 VAL 4 3HG1 VAL 4 6.641 5.603 3.115 34 HG21 VAL 4 1HG2 VAL 4 9.025 6.475 2.677 35 HG22 VAL 4 2HG2 VAL 4 9.382 7.287 1.152 36 HG23 VAL 4 3HG2 VAL 4 9.150 5.540 1.184 37 H VAL 5 H VAL 5 4.948 5.564 -1.156 38 HA VAL 5 HA VAL 5 3.088 7.837 -0.696 39 HB VAL 5 HB VAL 5 3.186 5.976 -3.133 40 HG11 VAL 5 1HG1 VAL 5 1.238 7.227 -4.011 41 HG12 VAL 5 2HG1 VAL 5 1.115 8.112 -2.488 42 HG13 VAL 5 3HG1 VAL 5 0.840 6.369 -2.521 43 HG21 VAL 5 1HG2 VAL 5 4.844 7.787 -3.246 44 HG22 VAL 5 2HG2 VAL 5 3.589 8.988 -2.940 45 HG23 VAL 5 3HG2 VAL 5 3.564 8.050 -4.433 46 H PHE 6 H PHE 6 1.503 7.269 0.662 47 HA PHE 6 HA PHE 6 0.636 4.461 0.877 48 HB2 PHE 6 2HB PHE 6 1.076 5.627 3.019 49 HB3 PHE 6 3HB PHE 6 -0.098 6.876 2.602 50 HD1 PHE 6 HD1 PHE 6 0.161 3.154 3.009 51 HD2 PHE 6 HD2 PHE 6 -2.322 6.616 3.401 52 HE1 PHE 6 HE1 PHE 6 -1.612 1.775 4.001 53 HE2 PHE 6 HE2 PHE 6 -4.089 5.223 4.397 54 HZ PHE 6 HZ PHE 6 -3.735 2.806 4.688 55 H LEU 7 H LEU 7 -0.812 3.980 -0.614 56 HA LEU 7 HA LEU 7 -3.016 5.793 -1.334 57 HB2 LEU 7 2HB LEU 7 -1.834 4.657 -3.178 58 HB3 LEU 7 3HB LEU 7 -2.106 3.093 -2.424 59 HG LEU 7 HG LEU 7 -4.555 3.346 -2.801 60 HD11 LEU 7 1HD1 LEU 7 -5.416 5.109 -4.286 61 HD12 LEU 7 2HD1 LEU 7 -3.836 5.895 -4.275 62 HD13 LEU 7 3HD1 LEU 7 -4.769 5.764 -2.782 63 HD21 LEU 7 1HD2 LEU 7 -3.146 2.130 -4.408 64 HD22 LEU 7 2HD2 LEU 7 -2.905 3.615 -5.333 65 HD23 LEU 7 3HD2 LEU 7 -4.517 2.909 -5.196 66 H SER 8 H SER 8 -5.120 5.393 -0.568 67 HA SER 8 HA SER 8 -6.023 2.767 0.185 68 HB2 SER 8 2HB SER 8 -4.955 3.353 2.319 69 HB3 SER 8 3HB SER 8 -5.765 4.913 2.343 70 HG SER 8 HG SER 8 -7.290 3.929 3.390 71 H ASP 9 H ASP 9 -8.319 2.768 0.701 72 HA ASP 9 HA ASP 9 -9.811 4.973 -0.606 73 HB2 ASP 9 2HB ASP 9 -10.705 2.153 0.158 74 HB3 ASP 9 3HB ASP 9 -11.720 3.348 -0.644 75 H ASP 10 H ASP 10 -9.282 3.280 2.354 76 HA ASP 10 HA ASP 10 -11.640 4.174 3.763 77 HB2 ASP 10 2HB ASP 10 -9.172 2.904 4.996 78 HB3 ASP 10 3HB ASP 10 -10.829 2.832 5.576 79 H GLN 11 H GLN 11 -11.774 6.219 4.525 80 HA GLN 11 HA GLN 11 -9.701 8.098 4.485 81 HB2 GLN 11 2HB GLN 11 -12.052 8.737 4.261 82 HB3 GLN 11 3HB GLN 11 -12.387 8.220 5.909 83 HG2 GLN 11 2HG GLN 11 -12.251 10.668 5.746 84 HG3 GLN 11 3HG GLN 11 -10.981 10.034 6.791 85 HE21 GLN 11 1HE2 GLN 11 -8.802 10.199 6.089 86 HE22 GLN 11 2HE2 GLN 11 -8.344 11.239 4.789 87 H GLU 12 H GLU 12 -11.164 6.500 7.359 88 HA GLU 12 HA GLU 12 -9.632 7.993 9.258 89 HB2 GLU 12 2HB GLU 12 -11.060 5.347 9.731 90 HB3 GLU 12 3HB GLU 12 -10.589 6.529 10.951 91 HG2 GLU 12 2HG GLU 12 -12.152 8.178 9.735 92 HG3 GLU 12 3HG GLU 12 -12.757 6.778 8.853 93 H ILE 13 H ILE 13 -9.006 5.142 7.434 94 HA ILE 13 HA ILE 13 -6.795 4.083 8.900 95 HB ILE 13 HB ILE 13 -7.621 3.929 5.976 96 HG12 ILE 13 2HG1 ILE 13 -9.080 2.726 7.628 97 HG13 ILE 13 3HG1 ILE 13 -8.356 1.666 6.432 98 HG21 ILE 13 1HG2 ILE 13 -5.959 2.182 5.616 99 HG22 ILE 13 2HG2 ILE 13 -5.326 2.428 7.241 100 HG23 ILE 13 3HG2 ILE 13 -5.199 3.715 6.041 101 HD11 ILE 13 1HD1 ILE 13 -8.398 0.628 8.580 102 HD12 ILE 13 2HD1 ILE 13 -7.508 1.968 9.295 103 HD13 ILE 13 3HD1 ILE 13 -6.730 0.929 8.100 104 H ILE 14 H ILE 14 -7.100 6.276 6.080 105 HA ILE 14 HA ILE 14 -4.403 6.822 5.601 106 HB ILE 14 HB ILE 14 -6.801 8.642 5.044 107 HG12 ILE 14 2HG1 ILE 14 -5.395 6.629 3.228 108 HG13 ILE 14 3HG1 ILE 14 -6.975 6.404 3.962 109 HG21 ILE 14 1HG2 ILE 14 -5.377 9.718 3.317 110 HG22 ILE 14 2HG2 ILE 14 -4.006 8.745 3.848 111 HG23 ILE 14 3HG2 ILE 14 -4.712 9.937 4.939 112 HD11 ILE 14 1HD1 ILE 14 -6.259 8.476 1.889 113 HD12 ILE 14 2HD1 ILE 14 -7.846 8.281 2.639 114 HD13 ILE 14 3HD1 ILE 14 -7.184 6.995 1.632 115 H GLU 15 H GLU 15 -6.699 8.403 7.782 116 HA GLU 15 HA GLU 15 -5.131 10.653 8.520 117 HB2 GLU 15 2HB GLU 15 -7.382 9.259 10.038 118 HB3 GLU 15 3HB GLU 15 -6.742 10.856 10.428 119 HG2 GLU 15 2HG GLU 15 -7.474 11.700 8.223 120 HG3 GLU 15 3HG GLU 15 -8.087 10.101 7.814 121 H GLU 16 H GLU 16 -5.446 7.417 9.903 122 HA GLU 16 HA GLU 16 -3.775 7.877 12.189 123 HB2 GLU 16 2HB GLU 16 -4.977 5.417 10.895 124 HB3 GLU 16 3HB GLU 16 -3.862 5.266 12.246 125 HG2 GLU 16 2HG GLU 16 -6.310 7.021 12.460 126 HG3 GLU 16 3HG GLU 16 -6.415 5.290 12.712 127 H VAL 17 H VAL 17 -3.206 6.631 8.921 128 HA VAL 17 HA VAL 17 -0.486 5.811 9.421 129 HB VAL 17 HB VAL 17 -2.023 6.257 6.817 130 HG11 VAL 17 1HG1 VAL 17 0.354 6.541 6.338 131 HG12 VAL 17 2HG1 VAL 17 -0.206 5.003 5.681 132 HG13 VAL 17 3HG1 VAL 17 0.739 5.031 7.171 133 HG21 VAL 17 1HG2 VAL 17 -2.890 4.405 8.199 134 HG22 VAL 17 2HG2 VAL 17 -1.284 3.673 8.248 135 HG23 VAL 17 3HG2 VAL 17 -2.152 3.797 6.718 136 H SER 18 H SER 18 -2.079 8.688 8.120 137 HA SER 18 HA SER 18 0.216 10.178 7.418 138 HB2 SER 18 2HB SER 18 -2.083 10.746 6.645 139 HB3 SER 18 3HB SER 18 -2.532 11.188 8.292 140 HG SER 18 HG SER 18 -1.982 13.059 7.288 141 H LYS 19 H LYS 19 -1.614 9.775 10.414 142 HA LYS 19 HA LYS 19 -0.177 11.626 12.014 143 HB2 LYS 19 2HB LYS 19 -2.393 10.814 12.699 144 HB3 LYS 19 3HB LYS 19 -1.799 9.161 12.795 145 HG2 LYS 19 2HG LYS 19 -2.068 10.150 15.029 146 HG3 LYS 19 3HG LYS 19 -0.382 9.749 14.712 147 HD2 LYS 19 2HD LYS 19 -0.506 11.892 15.840 148 HD3 LYS 19 3HD LYS 19 0.059 12.142 14.189 149 HE2 LYS 19 2HE LYS 19 -2.234 12.850 13.537 150 HE3 LYS 19 3HE LYS 19 -2.763 12.634 15.209 151 HZ1 LYS 19 1HZ LYS 19 -1.188 14.325 15.899 152 HZ2 LYS 19 2HZ LYS 19 -2.217 14.952 14.712 153 HZ3 LYS 19 3HZ LYS 19 -0.637 14.512 14.313 154 H LYS 20 H LYS 20 0.143 8.090 11.527 155 HA LYS 20 HA LYS 20 2.314 7.593 13.231 156 HB2 LYS 20 2HB LYS 20 0.906 5.820 12.244 157 HB3 LYS 20 3HB LYS 20 1.491 6.214 10.640 158 HG2 LYS 20 2HG LYS 20 2.546 4.198 11.279 159 HG3 LYS 20 3HG LYS 20 3.787 5.441 11.369 160 HD2 LYS 20 2HD LYS 20 2.259 4.549 13.843 161 HD3 LYS 20 3HD LYS 20 3.653 3.650 13.256 162 HE2 LYS 20 2HE LYS 20 5.031 5.708 13.459 163 HE3 LYS 20 3HE LYS 20 3.640 6.550 14.138 164 HZ1 LYS 20 1HZ LYS 20 3.653 5.056 15.999 165 HZ2 LYS 20 2HZ LYS 20 5.204 5.719 15.825 166 HZ3 LYS 20 3HZ LYS 20 4.894 4.135 15.319 167 H ALA 21 H ALA 21 2.247 8.508 9.815 168 HA ALA 21 HA ALA 21 4.980 8.481 9.210 169 HB1 ALA 21 1HB ALA 21 2.788 10.261 8.086 170 HB2 ALA 21 2HB ALA 21 3.205 8.645 7.518 171 HB3 ALA 21 3HB ALA 21 4.367 9.958 7.337 172 H GLU 22 H GLU 22 2.869 11.059 10.435 173 HA GLU 22 HA GLU 22 4.732 13.169 10.468 174 HB2 GLU 22 2HB GLU 22 2.278 13.450 10.529 175 HB3 GLU 22 3HB GLU 22 2.217 12.736 12.136 176 HG2 GLU 22 2HG GLU 22 3.475 14.641 13.045 177 HG3 GLU 22 3HG GLU 22 3.601 15.346 11.433 178 H GLU 23 H GLU 23 3.732 10.907 13.058 179 HA GLU 23 HA GLU 23 5.246 11.976 15.142 180 HB2 GLU 23 2HB GLU 23 4.455 9.062 14.749 181 HB3 GLU 23 3HB GLU 23 4.991 9.781 16.262 182 HG2 GLU 23 2HG GLU 23 2.407 10.291 14.785 183 HG3 GLU 23 3HG GLU 23 2.623 9.589 16.378 184 H GLU 24 H GLU 24 6.147 9.463 12.761 185 HA GLU 24 HA GLU 24 8.794 9.088 13.909 186 HB2 GLU 24 2HB GLU 24 7.658 8.048 11.289 187 HB3 GLU 24 3HB GLU 24 9.149 7.512 12.050 188 HG2 GLU 24 2HG GLU 24 6.330 7.093 13.054 189 HG3 GLU 24 3HG GLU 24 7.420 5.872 12.407 190 H GLY 25 H GLY 25 7.396 11.205 11.572 191 HA2 GLY 25 2HA GLY 25 8.321 12.964 10.399 192 HA3 GLY 25 3HA GLY 25 9.917 12.496 10.963 193 H TYR 26 H TYR 26 7.648 10.423 9.221 194 HA TYR 26 HA TYR 26 9.478 10.005 6.985 195 HB2 TYR 26 2HB TYR 26 6.712 8.851 7.555 196 HB3 TYR 26 3HB TYR 26 7.737 8.376 6.207 197 HD1 TYR 26 HD1 TYR 26 10.388 8.120 7.576 198 HD2 TYR 26 HD2 TYR 26 6.489 6.846 8.786 199 HE1 TYR 26 HE1 TYR 26 11.386 6.295 8.875 200 HE2 TYR 26 HE2 TYR 26 7.495 5.020 10.094 201 HH TYR 26 HH TYR 26 10.790 4.887 10.804 202 H ASP 27 H ASP 27 9.218 10.890 4.973 203 HA ASP 27 HA ASP 27 6.954 12.623 4.344 204 HB2 ASP 27 2HB ASP 27 9.369 11.795 2.669 205 HB3 ASP 27 3HB ASP 27 8.154 12.963 2.164 206 H ILE 28 H ILE 28 5.259 11.064 4.421 207 HA ILE 28 HA ILE 28 5.186 9.117 2.179 208 HB ILE 28 HB ILE 28 3.367 9.188 4.636 209 HG12 ILE 28 2HG1 ILE 28 5.767 7.391 4.061 210 HG13 ILE 28 3HG1 ILE 28 5.672 8.620 5.315 211 HG21 ILE 28 1HG2 ILE 28 2.644 6.952 3.874 212 HG22 ILE 28 2HG2 ILE 28 3.701 7.081 2.468 213 HG23 ILE 28 3HG2 ILE 28 2.327 8.174 2.641 214 HD11 ILE 28 1HD1 ILE 28 5.391 6.493 6.316 215 HD12 ILE 28 2HD1 ILE 28 4.125 6.042 5.178 216 HD13 ILE 28 3HD1 ILE 28 3.833 7.315 6.367 217 H GLN 29 H GLN 29 3.913 9.632 0.525 218 HA GLN 29 HA GLN 29 2.162 11.958 0.602 219 HB2 GLN 29 2HB GLN 29 3.833 11.389 -1.273 220 HB3 GLN 29 3HB GLN 29 2.749 10.082 -1.731 221 HG2 GLN 29 2HG GLN 29 2.389 11.996 -3.166 222 HG3 GLN 29 3HG GLN 29 0.958 11.756 -2.158 223 HE21 GLN 29 1HE2 GLN 29 0.427 13.349 -0.643 224 HE22 GLN 29 2HE2 GLN 29 1.239 14.872 -0.548 225 H THR 30 H THR 30 0.162 11.580 1.359 226 HA THR 30 HA THR 30 -1.061 8.914 1.143 227 HB THR 30 HB THR 30 -2.726 9.946 2.809 228 HG1 THR 30 HG1 THR 30 -2.208 11.890 3.734 229 HG21 THR 30 1HG2 THR 30 0.194 9.879 3.676 230 HG22 THR 30 2HG2 THR 30 -0.890 8.486 3.597 231 HG23 THR 30 3HG2 THR 30 -1.206 9.784 4.750 232 H SER 31 H SER 31 -2.715 8.526 -0.221 233 HA SER 31 HA SER 31 -4.154 10.696 -1.578 234 HB2 SER 31 2HB SER 31 -2.504 8.587 -3.065 235 HB3 SER 31 3HB SER 31 -3.578 9.768 -3.823 236 HG SER 31 HG SER 31 -2.081 11.270 -2.438 237 H ASN 32 H ASN 32 -6.026 9.971 -2.705 238 HA ASN 32 HA ASN 32 -7.164 7.424 -1.704 239 HB2 ASN 32 2HB ASN 32 -8.277 9.482 -0.859 240 HB3 ASN 32 3HB ASN 32 -8.575 10.008 -2.509 241 HD21 ASN 32 1HD2 ASN 32 -8.949 6.687 -1.274 242 HD22 ASN 32 2HD2 ASN 32 -10.656 6.626 -1.500 243 H ASP 33 H ASP 33 -6.786 9.535 -4.535 244 HA ASP 33 HA ASP 33 -8.346 7.834 -6.285 245 HB2 ASP 33 2HB ASP 33 -8.270 10.322 -6.571 246 HB3 ASP 33 3HB ASP 33 -6.571 10.209 -7.012 247 H LYS 34 H LYS 34 -7.515 5.882 -6.662 248 HA LYS 34 HA LYS 34 -4.746 5.217 -6.756 249 HB2 LYS 34 2HB LYS 34 -5.501 2.964 -7.355 250 HB3 LYS 34 3HB LYS 34 -6.506 3.622 -6.068 251 HG2 LYS 34 2HG LYS 34 -8.195 4.267 -7.825 252 HG3 LYS 34 3HG LYS 34 -7.228 3.364 -8.995 253 HD2 LYS 34 2HD LYS 34 -7.582 1.288 -7.710 254 HD3 LYS 34 3HD LYS 34 -8.488 2.185 -6.483 255 HE2 LYS 34 2HE LYS 34 -10.118 2.845 -8.307 256 HE3 LYS 34 3HE LYS 34 -9.277 1.720 -9.376 257 HZ1 LYS 34 1HZ LYS 34 -11.250 0.762 -8.336 258 HZ2 LYS 34 2HZ LYS 34 -10.561 0.980 -6.810 259 HZ3 LYS 34 3HZ LYS 34 -9.848 -0.076 -7.918 260 H LYS 35 H LYS 35 -7.041 6.243 -9.176 261 HA LYS 35 HA LYS 35 -5.826 5.289 -11.532 262 HB2 LYS 35 2HB LYS 35 -7.536 7.758 -11.028 263 HB3 LYS 35 3HB LYS 35 -7.111 7.177 -12.633 264 HG2 LYS 35 2HG LYS 35 -8.734 5.642 -10.577 265 HG3 LYS 35 3HG LYS 35 -9.394 6.507 -11.964 266 HD2 LYS 35 2HD LYS 35 -7.564 4.075 -12.061 267 HD3 LYS 35 3HD LYS 35 -9.287 4.105 -12.430 268 HE2 LYS 35 2HE LYS 35 -7.097 5.509 -14.001 269 HE3 LYS 35 3HE LYS 35 -7.976 4.065 -14.496 270 HZ1 LYS 35 1HZ LYS 35 -8.828 6.030 -15.581 271 HZ2 LYS 35 2HZ LYS 35 -9.167 6.756 -14.099 272 HZ3 LYS 35 3HZ LYS 35 -10.008 5.365 -14.572 273 H GLU 36 H GLU 36 -5.390 8.282 -9.692 274 HA GLU 36 HA GLU 36 -3.441 9.583 -11.228 275 HB2 GLU 36 2HB GLU 36 -4.642 10.575 -9.262 276 HB3 GLU 36 3HB GLU 36 -3.733 9.518 -8.189 277 HG2 GLU 36 2HG GLU 36 -1.623 10.623 -9.022 278 HG3 GLU 36 3HG GLU 36 -2.637 11.774 -9.892 279 H ILE 37 H ILE 37 -3.202 7.205 -8.638 280 HA ILE 37 HA ILE 37 -0.401 7.266 -8.281 281 HB ILE 37 HB ILE 37 -2.504 5.210 -7.472 282 HG12 ILE 37 2HG1 ILE 37 -2.901 7.405 -6.471 283 HG13 ILE 37 3HG1 ILE 37 -2.317 6.317 -5.221 284 HG21 ILE 37 1HG2 ILE 37 -0.903 4.348 -5.823 285 HG22 ILE 37 2HG2 ILE 37 0.352 5.400 -6.476 286 HG23 ILE 37 3HG2 ILE 37 -0.321 4.111 -7.474 287 HD11 ILE 37 1HD1 ILE 37 -0.077 7.360 -5.411 288 HD12 ILE 37 2HD1 ILE 37 -1.341 8.497 -4.956 289 HD13 ILE 37 3HD1 ILE 37 -0.729 8.485 -6.607 290 H ILE 38 H ILE 38 -2.486 5.135 -10.224 291 HA ILE 38 HA ILE 38 -0.610 3.261 -11.167 292 HB ILE 38 HB ILE 38 -3.162 4.388 -12.418 293 HG12 ILE 38 2HG1 ILE 38 -2.657 1.684 -11.086 294 HG13 ILE 38 3HG1 ILE 38 -3.408 3.065 -10.298 295 HG21 ILE 38 1HG2 ILE 38 -1.780 3.570 -14.272 296 HG22 ILE 38 2HG2 ILE 38 -3.171 2.516 -14.029 297 HG23 ILE 38 3HG2 ILE 38 -1.578 2.016 -13.461 298 HD11 ILE 38 1HD1 ILE 38 -4.529 1.528 -12.641 299 HD12 ILE 38 2HD1 ILE 38 -5.268 2.951 -11.901 300 HD13 ILE 38 3HD1 ILE 38 -5.078 1.471 -10.965 301 H ASP 39 H ASP 39 -1.548 6.469 -12.334 302 HA ASP 39 HA ASP 39 0.090 6.527 -14.667 303 HB2 ASP 39 2HB ASP 39 -1.953 7.946 -14.357 304 HB3 ASP 39 3HB ASP 39 -1.115 8.867 -13.119 305 H ARG 40 H ARG 40 0.580 7.449 -11.282 306 HA ARG 40 HA ARG 40 3.064 8.854 -11.701 307 HB2 ARG 40 2HB ARG 40 1.977 7.647 -9.117 308 HB3 ARG 40 3HB ARG 40 3.303 8.801 -9.243 309 HG2 ARG 40 2HG ARG 40 1.692 10.462 -10.223 310 HG3 ARG 40 3HG ARG 40 0.398 9.306 -9.929 311 HD2 ARG 40 2HD ARG 40 0.333 10.833 -8.111 312 HD3 ARG 40 3HD ARG 40 1.066 9.360 -7.469 313 HE ARG 40 HE ARG 40 3.271 10.522 -7.846 314 HH11 ARG 40 1HH1 ARG 40 0.339 12.380 -7.197 315 HH12 ARG 40 2HH1 ARG 40 1.205 13.736 -6.547 316 HH21 ARG 40 1HH2 ARG 40 4.390 12.331 -7.044 317 HH22 ARG 40 2HH2 ARG 40 3.503 13.705 -6.461 318 H LEU 41 H LEU 41 2.173 5.520 -10.979 319 HA LEU 41 HA LEU 41 4.802 4.499 -10.623 320 HB2 LEU 41 2HB LEU 41 2.215 3.160 -11.510 321 HB3 LEU 41 3HB LEU 41 3.691 2.273 -11.169 322 HG LEU 41 HG LEU 41 2.300 4.011 -9.088 323 HD11 LEU 41 1HD1 LEU 41 1.339 1.978 -8.117 324 HD12 LEU 41 2HD1 LEU 41 1.992 1.011 -9.442 325 HD13 LEU 41 3HD1 LEU 41 0.755 2.228 -9.763 326 HD21 LEU 41 1HD2 LEU 41 3.673 2.759 -7.480 327 HD22 LEU 41 2HD2 LEU 41 4.671 3.609 -8.656 328 HD23 LEU 41 3HD2 LEU 41 4.427 1.866 -8.804 329 H LYS 42 H LYS 42 2.775 5.097 -13.498 330 HA LYS 42 HA LYS 42 4.572 4.123 -15.477 331 HB2 LYS 42 2HB LYS 42 2.593 6.433 -15.699 332 HB3 LYS 42 3HB LYS 42 3.399 5.662 -17.059 333 HG2 LYS 42 2HG LYS 42 2.231 3.553 -16.580 334 HG3 LYS 42 3HG LYS 42 1.436 4.300 -15.188 335 HD2 LYS 42 2HD LYS 42 0.358 5.949 -16.719 336 HD3 LYS 42 3HD LYS 42 1.123 5.152 -18.098 337 HE2 LYS 42 2HE LYS 42 -0.112 3.069 -17.538 338 HE3 LYS 42 3HE LYS 42 -0.906 3.920 -16.209 339 HZ1 LYS 42 1HZ LYS 42 -2.274 3.837 -18.211 340 HZ2 LYS 42 2HZ LYS 42 -1.094 4.687 -19.072 341 HZ3 LYS 42 3HZ LYS 42 -1.898 5.426 -17.790 342 H ARG 43 H ARG 43 4.378 7.230 -13.756 343 HA ARG 43 HA ARG 43 6.413 8.616 -15.233 344 HB2 ARG 43 2HB ARG 43 5.420 9.165 -12.391 345 HB3 ARG 43 3HB ARG 43 6.378 10.270 -13.369 346 HG2 ARG 43 2HG ARG 43 4.518 10.541 -14.938 347 HG3 ARG 43 3HG ARG 43 3.564 9.363 -14.038 348 HD2 ARG 43 2HD ARG 43 3.874 10.957 -12.006 349 HD3 ARG 43 3HD ARG 43 4.376 12.156 -13.204 350 HE ARG 43 HE ARG 43 2.012 11.263 -14.191 351 HH11 ARG 43 1HH1 ARG 43 2.923 12.565 -11.035 352 HH12 ARG 43 2HH1 ARG 43 1.346 13.207 -10.717 353 HH21 ARG 43 1HH2 ARG 43 -0.053 12.028 -13.724 354 HH22 ARG 43 2HH2 ARG 43 -0.358 12.901 -12.257 355 H ARG 44 H ARG 44 6.536 6.060 -13.023 356 HA ARG 44 HA ARG 44 8.082 4.996 -11.773 357 HB2 ARG 44 2HB ARG 44 10.169 6.753 -13.148 358 HB3 ARG 44 3HB ARG 44 10.465 5.218 -12.342 359 HG2 ARG 44 2HG ARG 44 8.646 5.412 -14.756 360 HG3 ARG 44 3HG ARG 44 10.385 5.218 -14.924 361 HD2 ARG 44 2HD ARG 44 8.638 3.298 -13.367 362 HD3 ARG 44 3HD ARG 44 9.020 3.100 -15.080 363 HE ARG 44 HE ARG 44 11.179 3.308 -13.079 364 HH11 ARG 44 1HH1 ARG 44 9.566 1.380 -15.548 365 HH12 ARG 44 2HH1 ARG 44 10.822 0.188 -15.605 366 HH21 ARG 44 1HH2 ARG 44 12.816 1.772 -13.170 367 HH22 ARG 44 2HH2 ARG 44 12.682 0.419 -14.241 368 H ASN 45 H ASN 45 6.806 7.527 -11.052 369 HA ASN 45 HA ASN 45 8.475 9.329 -9.666 370 HB2 ASN 45 2HB ASN 45 6.331 9.991 -10.682 371 HB3 ASN 45 3HB ASN 45 5.449 8.900 -9.623 372 HD21 ASN 45 1HD2 ASN 45 7.345 11.853 -9.746 373 HD22 ASN 45 2HD2 ASN 45 6.697 12.548 -8.311 374 H ILE 46 H ILE 46 6.820 6.409 -8.741 375 HA ILE 46 HA ILE 46 7.070 6.986 -5.850 376 HB ILE 46 HB ILE 46 5.448 4.778 -7.202 377 HG12 ILE 46 2HG1 ILE 46 4.526 7.475 -6.105 378 HG13 ILE 46 3HG1 ILE 46 4.556 7.006 -7.799 379 HG21 ILE 46 1HG2 ILE 46 5.434 5.750 -4.315 380 HG22 ILE 46 2HG2 ILE 46 6.101 4.218 -4.888 381 HG23 ILE 46 3HG2 ILE 46 4.367 4.517 -4.993 382 HD11 ILE 46 1HD1 ILE 46 2.801 5.825 -5.654 383 HD12 ILE 46 2HD1 ILE 46 2.850 5.304 -7.343 384 HD13 ILE 46 3HD1 ILE 46 2.320 6.935 -6.937 385 H ASP 47 H ASP 47 8.777 6.103 -4.849 386 HA ASP 47 HA ASP 47 10.379 4.007 -6.042 387 HB2 ASP 47 2HB ASP 47 11.478 5.859 -4.847 388 HB3 ASP 47 3HB ASP 47 10.647 5.423 -3.360 389 H MET 48 H MET 48 8.245 4.364 -3.267 390 HA MET 48 HA MET 48 7.801 1.492 -3.152 391 HB2 MET 48 2HB MET 48 8.284 1.334 -0.721 392 HB3 MET 48 3HB MET 48 9.720 1.722 -1.652 393 HG2 MET 48 2HG MET 48 9.359 4.147 -0.981 394 HG3 MET 48 3HG MET 48 8.131 3.564 0.141 395 HE1 MET 48 1HE MET 48 9.787 0.645 0.835 396 HE2 MET 48 2HE MET 48 8.763 1.556 1.948 397 HE3 MET 48 3HE MET 48 10.422 1.166 2.395 398 H ILE 49 H ILE 49 5.797 0.969 -2.285 399 HA ILE 49 HA ILE 49 3.988 3.194 -1.626 400 HB ILE 49 HB ILE 49 3.884 3.015 -4.059 401 HG12 ILE 49 2HG1 ILE 49 1.383 1.833 -2.771 402 HG13 ILE 49 3HG1 ILE 49 1.763 3.544 -2.923 403 HG21 ILE 49 1HG2 ILE 49 3.200 0.977 -5.251 404 HG22 ILE 49 2HG2 ILE 49 3.167 0.089 -3.727 405 HG23 ILE 49 3HG2 ILE 49 4.695 0.717 -4.344 406 HD11 ILE 49 1HD1 ILE 49 1.182 1.638 -5.185 407 HD12 ILE 49 2HD1 ILE 49 1.623 3.338 -5.367 408 HD13 ILE 49 3HD1 ILE 49 0.123 2.898 -4.553 409 H ILE 50 H ILE 50 2.152 2.605 -0.500 410 HA ILE 50 HA ILE 50 1.805 -0.216 0.339 411 HB ILE 50 HB ILE 50 1.624 2.254 2.147 412 HG12 ILE 50 2HG1 ILE 50 3.702 0.010 2.204 413 HG13 ILE 50 3HG1 ILE 50 3.982 1.618 1.553 414 HG21 ILE 50 1HG2 ILE 50 1.252 -0.684 2.840 415 HG22 ILE 50 2HG2 ILE 50 -0.009 0.551 2.800 416 HG23 ILE 50 3HG2 ILE 50 1.281 0.646 3.996 417 HD11 ILE 50 1HD1 ILE 50 3.399 0.941 4.423 418 HD12 ILE 50 2HD1 ILE 50 3.620 2.570 3.781 419 HD13 ILE 50 3HD1 ILE 50 4.949 1.413 3.730 420 H VAL 51 H VAL 51 -0.161 -0.812 -0.377 421 HA VAL 51 HA VAL 51 -2.305 1.200 -0.753 422 HB VAL 51 HB VAL 51 -1.996 -1.510 -2.146 423 HG11 VAL 51 1HG1 VAL 51 -4.341 -0.769 -1.974 424 HG12 VAL 51 2HG1 VAL 51 -3.786 -0.712 -3.646 425 HG13 VAL 51 3HG1 VAL 51 -3.921 0.780 -2.712 426 HG21 VAL 51 1HG2 VAL 51 -0.199 0.015 -2.841 427 HG22 VAL 51 2HG2 VAL 51 -1.384 1.267 -3.225 428 HG23 VAL 51 3HG2 VAL 51 -1.352 -0.233 -4.153 429 H LYS 52 H LYS 52 -3.660 1.120 0.942 430 HA LYS 52 HA LYS 52 -4.503 -1.464 2.089 431 HB2 LYS 52 2HB LYS 52 -3.795 0.123 3.774 432 HB3 LYS 52 3HB LYS 52 -4.787 1.399 3.080 433 HG2 LYS 52 2HG LYS 52 -5.745 0.491 5.166 434 HG3 LYS 52 3HG LYS 52 -6.826 0.275 3.788 435 HD2 LYS 52 2HD LYS 52 -6.024 -2.101 3.613 436 HD3 LYS 52 3HD LYS 52 -5.068 -1.849 5.081 437 HE2 LYS 52 2HE LYS 52 -7.217 -2.955 5.559 438 HE3 LYS 52 3HE LYS 52 -7.123 -1.380 6.349 439 HZ1 LYS 52 1HZ LYS 52 -9.263 -1.701 5.336 440 HZ2 LYS 52 2HZ LYS 52 -8.570 -2.003 3.833 441 HZ3 LYS 52 3HZ LYS 52 -8.451 -0.462 4.521 442 H THR 53 H THR 53 -6.123 -2.294 1.017 443 HA THR 53 HA THR 53 -8.618 -0.887 0.615 444 HB THR 53 HB THR 53 -7.477 -0.271 -1.471 445 HG1 THR 53 HG1 THR 53 -9.192 -0.680 -2.623 446 HG21 THR 53 1HG2 THR 53 -6.718 -1.953 -3.107 447 HG22 THR 53 2HG2 THR 53 -7.051 -3.236 -1.942 448 HG23 THR 53 3HG2 THR 53 -5.797 -2.041 -1.602 449 H GLU 54 H GLU 54 -10.084 -2.691 -0.698 450 HA GLU 54 HA GLU 54 -9.468 -5.402 0.278 451 HB2 GLU 54 2HB GLU 54 -10.980 -4.005 1.907 452 HB3 GLU 54 3HB GLU 54 -12.234 -4.201 0.692 453 HG2 GLU 54 2HG GLU 54 -11.796 -6.748 0.912 454 HG3 GLU 54 3HG GLU 54 -10.889 -6.345 2.367 455 H ASP 55 H ASP 55 -9.643 -3.887 -2.385 456 HA ASP 55 HA ASP 55 -11.490 -5.784 -3.751 457 HB2 ASP 55 2HB ASP 55 -12.173 -3.370 -4.001 458 HB3 ASP 55 3HB ASP 55 -10.637 -3.040 -4.795 459 H LYS 56 H LYS 56 -10.397 -7.322 -4.691 460 HA LYS 56 HA LYS 56 -7.634 -7.562 -4.887 461 HB2 LYS 56 2HB LYS 56 -9.729 -9.116 -6.459 462 HB3 LYS 56 3HB LYS 56 -8.065 -9.621 -6.172 463 HG2 LYS 56 2HG LYS 56 -8.539 -9.708 -3.729 464 HG3 LYS 56 3HG LYS 56 -10.220 -9.290 -4.056 465 HD2 LYS 56 2HD LYS 56 -8.770 -11.792 -4.999 466 HD3 LYS 56 3HD LYS 56 -9.959 -11.709 -3.701 467 HE2 LYS 56 2HE LYS 56 -10.500 -11.158 -6.642 468 HE3 LYS 56 3HE LYS 56 -10.953 -12.612 -5.755 469 HZ1 LYS 56 1HZ LYS 56 -11.944 -9.886 -5.112 470 HZ2 LYS 56 2HZ LYS 56 -12.429 -11.333 -4.392 471 HZ3 LYS 56 3HZ LYS 56 -12.796 -11.035 -6.011 472 H GLU 57 H GLU 57 -9.930 -6.512 -7.367 473 HA GLU 57 HA GLU 57 -8.051 -6.641 -9.552 474 HB2 GLU 57 2HB GLU 57 -10.789 -5.319 -9.346 475 HB3 GLU 57 3HB GLU 57 -9.854 -5.456 -10.835 476 HG2 GLU 57 2HG GLU 57 -9.897 -7.961 -10.555 477 HG3 GLU 57 3HG GLU 57 -10.981 -7.735 -9.186 478 H SER 58 H SER 58 -9.087 -4.149 -7.272 479 HA SER 58 HA SER 58 -7.798 -1.918 -8.502 480 HB2 SER 58 2HB SER 58 -8.465 -2.394 -5.561 481 HB3 SER 58 3HB SER 58 -8.056 -0.835 -6.284 482 HG SER 58 HG SER 58 -10.213 -2.381 -7.256 483 H ILE 59 H ILE 59 -6.875 -4.227 -5.986 484 HA ILE 59 HA ILE 59 -4.293 -3.416 -5.321 485 HB ILE 59 HB ILE 59 -5.543 -6.205 -5.427 486 HG12 ILE 59 2HG1 ILE 59 -5.041 -4.384 -3.032 487 HG13 ILE 59 3HG1 ILE 59 -6.588 -4.576 -3.844 488 HG21 ILE 59 1HG2 ILE 59 -3.119 -6.489 -5.531 489 HG22 ILE 59 2HG2 ILE 59 -3.731 -7.015 -3.964 490 HG23 ILE 59 3HG2 ILE 59 -2.915 -5.459 -4.114 491 HD11 ILE 59 1HD1 ILE 59 -5.094 -6.705 -2.324 492 HD12 ILE 59 2HD1 ILE 59 -6.610 -6.946 -3.196 493 HD13 ILE 59 3HD1 ILE 59 -6.553 -5.852 -1.815 494 H SER 60 H SER 60 -5.430 -5.664 -7.805 495 HA SER 60 HA SER 60 -3.005 -6.679 -8.711 496 HB2 SER 60 2HB SER 60 -5.178 -7.740 -9.179 497 HB3 SER 60 3HB SER 60 -5.635 -6.401 -10.236 498 HG SER 60 HG SER 60 -3.588 -8.338 -10.608 499 H GLU 61 H GLU 61 -4.861 -3.853 -9.881 500 HA GLU 61 HA GLU 61 -3.332 -3.310 -12.182 501 HB2 GLU 61 2HB GLU 61 -5.015 -1.440 -10.467 502 HB3 GLU 61 3HB GLU 61 -4.302 -0.967 -12.008 503 HG2 GLU 61 2HG GLU 61 -6.415 -3.076 -11.529 504 HG3 GLU 61 3HG GLU 61 -6.592 -1.557 -12.400 505 H ILE 62 H ILE 62 -3.045 -1.957 -8.882 506 HA ILE 62 HA ILE 62 -0.839 -0.287 -9.401 507 HB ILE 62 HB ILE 62 -1.913 -1.476 -6.823 508 HG12 ILE 62 2HG1 ILE 62 -2.262 0.960 -6.226 509 HG13 ILE 62 3HG1 ILE 62 -1.635 1.414 -7.803 510 HG21 ILE 62 1HG2 ILE 62 -0.217 -0.145 -5.543 511 HG22 ILE 62 2HG2 ILE 62 0.630 0.173 -7.050 512 HG23 ILE 62 3HG2 ILE 62 0.493 -1.481 -6.453 513 HD11 ILE 62 1HD1 ILE 62 -4.054 1.568 -7.713 514 HD12 ILE 62 2HD1 ILE 62 -4.171 -0.136 -7.278 515 HD13 ILE 62 3HD1 ILE 62 -3.561 0.330 -8.868 516 H ILE 63 H ILE 63 -0.979 -3.689 -8.220 517 HA ILE 63 HA ILE 63 1.750 -4.124 -7.785 518 HB ILE 63 HB ILE 63 -0.351 -6.146 -8.696 519 HG12 ILE 63 2HG1 ILE 63 0.753 -5.505 -5.919 520 HG13 ILE 63 3HG1 ILE 63 -0.874 -5.167 -6.498 521 HG21 ILE 63 1HG2 ILE 63 1.192 -7.923 -7.918 522 HG22 ILE 63 2HG2 ILE 63 2.431 -6.709 -7.597 523 HG23 ILE 63 3HG2 ILE 63 1.893 -6.998 -9.251 524 HD11 ILE 63 1HD1 ILE 63 -0.858 -7.091 -5.045 525 HD12 ILE 63 2HD1 ILE 63 0.322 -7.902 -6.073 526 HD13 ILE 63 3HD1 ILE 63 -1.303 -7.568 -6.682 527 H LYS 64 H LYS 64 -0.177 -4.613 -10.766 528 HA LYS 64 HA LYS 64 1.733 -5.714 -12.463 529 HB2 LYS 64 2HB LYS 64 -0.657 -3.913 -13.000 530 HB3 LYS 64 3HB LYS 64 0.299 -4.608 -14.304 531 HG2 LYS 64 2HG LYS 64 -0.395 -6.819 -13.814 532 HG3 LYS 64 3HG LYS 64 -0.980 -6.373 -12.206 533 HD2 LYS 64 2HD LYS 64 -2.816 -6.774 -13.899 534 HD3 LYS 64 3HD LYS 64 -2.870 -5.188 -13.128 535 HE2 LYS 64 2HE LYS 64 -1.836 -4.174 -15.124 536 HE3 LYS 64 3HE LYS 64 -1.744 -5.760 -15.895 537 HZ1 LYS 64 1HZ LYS 64 -4.169 -5.883 -15.791 538 HZ2 LYS 64 2HZ LYS 64 -3.655 -4.542 -16.681 539 HZ3 LYS 64 3HZ LYS 64 -4.235 -4.338 -15.106 540 H GLN 65 H GLN 65 0.911 -2.285 -11.938 541 HA GLN 65 HA GLN 65 2.810 -1.144 -13.706 542 HB2 GLN 65 2HB GLN 65 1.566 0.019 -11.185 543 HB3 GLN 65 3HB GLN 65 2.395 0.952 -12.421 544 HG2 GLN 65 2HG GLN 65 -0.180 -0.595 -12.792 545 HG3 GLN 65 3HG GLN 65 -0.036 1.154 -12.617 546 HE21 GLN 65 1HE2 GLN 65 0.828 2.358 -14.339 547 HE22 GLN 65 2HE2 GLN 65 0.970 1.716 -15.938 548 H VAL 66 H VAL 66 2.994 -1.998 -10.274 549 HA VAL 66 HA VAL 66 5.526 -0.815 -9.730 550 HB VAL 66 HB VAL 66 3.904 -2.912 -8.219 551 HG11 VAL 66 1HG1 VAL 66 5.393 -2.471 -6.282 552 HG12 VAL 66 2HG1 VAL 66 6.443 -1.517 -7.320 553 HG13 VAL 66 3HG1 VAL 66 6.241 -3.241 -7.621 554 HG21 VAL 66 1HG2 VAL 66 4.346 0.049 -7.659 555 HG22 VAL 66 2HG2 VAL 66 3.381 -1.055 -6.675 556 HG23 VAL 66 3HG2 VAL 66 2.874 -0.666 -8.319 557 H LEU 67 H LEU 67 4.528 -4.037 -10.846 558 HA LEU 67 HA LEU 67 6.987 -5.407 -10.443 559 HB2 LEU 67 2HB LEU 67 4.796 -5.928 -12.499 560 HB3 LEU 67 3HB LEU 67 6.132 -7.022 -12.180 561 HG LEU 67 HG LEU 67 3.855 -6.329 -10.292 562 HD11 LEU 67 1HD1 LEU 67 3.250 -8.691 -10.497 563 HD12 LEU 67 2HD1 LEU 67 4.561 -8.942 -11.651 564 HD13 LEU 67 3HD1 LEU 67 3.215 -7.873 -12.058 565 HD21 LEU 67 1HD2 LEU 67 6.245 -8.111 -9.720 566 HD22 LEU 67 2HD2 LEU 67 4.811 -7.946 -8.701 567 HD23 LEU 67 3HD2 LEU 67 5.874 -6.565 -8.950 568 H ASP 68 H ASP 68 5.591 -3.575 -13.093 569 HA ASP 68 HA ASP 68 7.630 -3.895 -15.030 570 HB2 ASP 68 2HB ASP 68 5.396 -3.201 -15.705 571 HB3 ASP 68 3HB ASP 68 5.453 -1.778 -14.678 572 H SER 69 H SER 69 7.105 -1.497 -12.450 573 HA SER 69 HA SER 69 9.330 0.171 -13.345 574 HB2 SER 69 2HB SER 69 7.495 0.592 -10.961 575 HB3 SER 69 3HB SER 69 8.603 1.767 -11.649 576 HG SER 69 HG SER 69 6.339 0.622 -12.922 577 H GLY 70 H GLY 70 8.915 -2.474 -11.273 578 HA2 GLY 70 2HA GLY 70 10.300 -3.603 -9.850 579 HA3 GLY 70 3HA GLY 70 11.612 -2.589 -10.428 580 H ALA 71 H ALA 71 8.723 -1.328 -8.885 581 HA ALA 71 HA ALA 71 10.277 -0.050 -6.779 582 HB1 ALA 71 1HB ALA 71 8.495 1.231 -7.896 583 HB2 ALA 71 2HB ALA 71 8.151 1.065 -6.174 584 HB3 ALA 71 3HB ALA 71 7.288 0.066 -7.346 585 H LYS 72 H LYS 72 9.492 -0.181 -4.456 586 HA LYS 72 HA LYS 72 8.891 -2.939 -3.642 587 HB2 LYS 72 2HB LYS 72 9.555 -0.434 -2.025 588 HB3 LYS 72 3HB LYS 72 9.046 -1.934 -1.266 589 HG2 LYS 72 2HG LYS 72 11.437 -1.788 -1.124 590 HG3 LYS 72 3HG LYS 72 11.029 -3.079 -2.251 591 HD2 LYS 72 2HD LYS 72 12.923 -1.760 -3.096 592 HD3 LYS 72 3HD LYS 72 11.523 -1.557 -4.155 593 HE2 LYS 72 2HE LYS 72 11.034 0.618 -3.075 594 HE3 LYS 72 3HE LYS 72 12.429 0.402 -2.015 595 HZ1 LYS 72 1HZ LYS 72 12.943 1.843 -3.889 596 HZ2 LYS 72 2HZ LYS 72 12.543 0.616 -4.978 597 HZ3 LYS 72 3HZ LYS 72 13.868 0.433 -3.949 598 H VAL 73 H VAL 73 6.911 -3.588 -2.776 599 HA VAL 73 HA VAL 73 4.797 -1.564 -2.409 600 HB VAL 73 HB VAL 73 4.518 -2.223 -4.715 601 HG11 VAL 73 1HG1 VAL 73 4.103 -4.548 -5.445 602 HG12 VAL 73 2HG1 VAL 73 4.466 -5.110 -3.813 603 HG13 VAL 73 3HG1 VAL 73 5.718 -4.320 -4.767 604 HG21 VAL 73 1HG2 VAL 73 2.449 -1.845 -3.449 605 HG22 VAL 73 2HG2 VAL 73 2.363 -3.557 -3.029 606 HG23 VAL 73 3HG2 VAL 73 2.191 -3.051 -4.712 607 H LEU 74 H LEU 74 3.512 -1.946 -0.772 608 HA LEU 74 HA LEU 74 3.351 -4.605 0.494 609 HB2 LEU 74 2HB LEU 74 4.405 -3.118 2.054 610 HB3 LEU 74 3HB LEU 74 3.279 -1.821 1.695 611 HG LEU 74 HG LEU 74 1.469 -3.002 2.852 612 HD11 LEU 74 1HD1 LEU 74 1.866 -5.065 4.165 613 HD12 LEU 74 2HD1 LEU 74 3.437 -5.238 3.378 614 HD13 LEU 74 3HD1 LEU 74 1.958 -5.309 2.423 615 HD21 LEU 74 1HD2 LEU 74 3.958 -2.818 4.573 616 HD22 LEU 74 2HD2 LEU 74 2.289 -2.821 5.153 617 HD23 LEU 74 3HD2 LEU 74 2.871 -1.490 4.157 618 H ILE 75 H ILE 75 1.474 -5.496 0.038 619 HA ILE 75 HA ILE 75 -0.947 -3.936 -0.484 620 HB ILE 75 HB ILE 75 -0.337 -6.909 -0.815 621 HG12 ILE 75 2HG1 ILE 75 0.802 -5.595 -2.513 622 HG13 ILE 75 3HG1 ILE 75 -0.563 -6.398 -3.275 623 HG21 ILE 75 1HG2 ILE 75 -2.530 -7.122 -1.932 624 HG22 ILE 75 2HG2 ILE 75 -2.909 -5.448 -1.526 625 HG23 ILE 75 3HG2 ILE 75 -2.709 -6.643 -0.242 626 HD11 ILE 75 1HD1 ILE 75 -0.413 -3.487 -2.474 627 HD12 ILE 75 2HD1 ILE 75 -1.823 -4.271 -3.194 628 HD13 ILE 75 3HD1 ILE 75 -0.320 -4.148 -4.106 629 H LEU 76 H LEU 76 -1.987 -3.397 1.302 630 HA LEU 76 HA LEU 76 -2.396 -5.323 3.497 631 HB2 LEU 76 2HB LEU 76 -2.879 -2.312 3.373 632 HB3 LEU 76 3HB LEU 76 -3.210 -3.325 4.772 633 HG LEU 76 HG LEU 76 -0.449 -2.859 3.577 634 HD11 LEU 76 1HD1 LEU 76 -1.619 -1.730 6.135 635 HD12 LEU 76 2HD1 LEU 76 -1.319 -0.830 4.647 636 HD13 LEU 76 3HD1 LEU 76 0.033 -1.511 5.547 637 HD21 LEU 76 1HD2 LEU 76 -0.636 -5.061 4.602 638 HD22 LEU 76 2HD2 LEU 76 -1.260 -4.345 6.091 639 HD23 LEU 76 3HD2 LEU 76 0.394 -4.009 5.570 640 H SER 77 H SER 77 -4.341 -6.277 3.665 641 HA SER 77 HA SER 77 -6.711 -5.073 2.408 642 HB2 SER 77 2HB SER 77 -5.934 -8.005 2.094 643 HB3 SER 77 3HB SER 77 -7.384 -7.235 1.446 644 HG SER 77 HG SER 77 -5.396 -5.810 0.549 645 H SER 78 H SER 78 -8.624 -5.502 3.480 646 HA SER 78 HA SER 78 -8.381 -6.154 6.285 647 HB2 SER 78 2HB SER 78 -10.832 -5.388 4.639 648 HB3 SER 78 3HB SER 78 -10.741 -5.413 6.398 649 HG SER 78 HG SER 78 -10.472 -3.323 5.531 650 H ASP 79 H ASP 79 -8.330 -8.316 3.957 651 HA ASP 79 HA ASP 79 -10.056 -10.261 5.296 652 HB2 ASP 79 2HB ASP 79 -11.484 -9.307 3.534 653 HB3 ASP 79 3HB ASP 79 -10.246 -9.597 2.321 654 H GLU 80 H GLU 80 -9.240 -12.211 5.367 655 HA GLU 80 HA GLU 80 -6.493 -12.652 4.892 656 HB2 GLU 80 2HB GLU 80 -8.616 -14.712 5.631 657 HB3 GLU 80 3HB GLU 80 -6.876 -14.900 5.802 658 HG2 GLU 80 2HG GLU 80 -7.565 -14.449 7.982 659 HG3 GLU 80 3HG GLU 80 -6.997 -12.884 7.417 660 H ASN 81 H ASN 81 -9.390 -13.624 3.117 661 HA ASN 81 HA ASN 81 -8.183 -15.743 1.604 662 HB2 ASN 81 2HB ASN 81 -10.727 -14.207 0.866 663 HB3 ASN 81 3HB ASN 81 -10.274 -15.826 0.353 664 HD21 ASN 81 1HD2 ASN 81 -11.585 -13.907 2.954 665 HD22 ASN 81 2HD2 ASN 81 -12.101 -15.228 3.940 666 H ILE 82 H ILE 82 -8.813 -12.302 1.132 667 HA ILE 82 HA ILE 82 -7.991 -12.048 -1.568 668 HB ILE 82 HB ILE 82 -8.052 -9.999 0.696 669 HG12 ILE 82 2HG1 ILE 82 -9.961 -10.502 -1.635 670 HG13 ILE 82 3HG1 ILE 82 -10.272 -10.857 0.059 671 HG21 ILE 82 1HG2 ILE 82 -7.833 -8.225 -1.028 672 HG22 ILE 82 2HG2 ILE 82 -7.551 -9.459 -2.254 673 HG23 ILE 82 3HG2 ILE 82 -6.394 -9.244 -0.943 674 HD11 ILE 82 1HD1 ILE 82 -9.934 -8.114 -1.141 675 HD12 ILE 82 2HD1 ILE 82 -10.214 -8.468 0.566 676 HD13 ILE 82 3HD1 ILE 82 -11.443 -8.872 -0.631 677 H ILE 83 H ILE 83 -6.235 -11.525 1.541 678 HA ILE 83 HA ILE 83 -3.704 -10.959 0.467 679 HB ILE 83 HB ILE 83 -4.476 -12.264 3.112 680 HG12 ILE 83 2HG1 ILE 83 -5.177 -9.905 2.766 681 HG13 ILE 83 3HG1 ILE 83 -3.992 -10.034 4.056 682 HG21 ILE 83 1HG2 ILE 83 -2.189 -13.022 2.642 683 HG22 ILE 83 2HG2 ILE 83 -2.181 -11.837 3.950 684 HG23 ILE 83 3HG2 ILE 83 -1.678 -11.360 2.326 685 HD11 ILE 83 1HD1 ILE 83 -3.449 -9.081 1.236 686 HD12 ILE 83 2HD1 ILE 83 -2.246 -9.211 2.524 687 HD13 ILE 83 3HD1 ILE 83 -3.588 -8.079 2.680 688 H GLU 84 H GLU 84 -5.199 -14.115 1.181 689 HA GLU 84 HA GLU 84 -3.030 -15.807 0.639 690 HB2 GLU 84 2HB GLU 84 -5.088 -16.579 1.757 691 HB3 GLU 84 3HB GLU 84 -6.014 -16.329 0.281 692 HG2 GLU 84 2HG GLU 84 -4.617 -18.089 -0.839 693 HG3 GLU 84 3HG GLU 84 -3.804 -18.376 0.697 694 H SER 85 H SER 85 -5.567 -14.568 -1.559 695 HA SER 85 HA SER 85 -4.701 -16.039 -3.831 696 HB2 SER 85 2HB SER 85 -6.240 -14.485 -5.100 697 HB3 SER 85 3HB SER 85 -6.993 -15.307 -3.737 698 HG SER 85 HG SER 85 -5.914 -12.696 -3.530 699 H ILE 86 H ILE 86 -3.950 -12.786 -2.616 700 HA ILE 86 HA ILE 86 -2.435 -11.977 -4.911 701 HB ILE 86 HB ILE 86 -2.355 -10.843 -2.071 702 HG12 ILE 86 2HG1 ILE 86 -4.620 -10.675 -3.028 703 HG13 ILE 86 3HG1 ILE 86 -3.897 -9.078 -2.934 704 HG21 ILE 86 1HG2 ILE 86 -1.425 -8.787 -3.089 705 HG22 ILE 86 2HG2 ILE 86 -1.355 -9.590 -4.658 706 HG23 ILE 86 3HG2 ILE 86 -0.352 -10.170 -3.327 707 HD11 ILE 86 1HD1 ILE 86 -4.211 -10.762 -5.427 708 HD12 ILE 86 2HD1 ILE 86 -3.436 -9.175 -5.359 709 HD13 ILE 86 3HD1 ILE 86 -5.148 -9.337 -4.978 710 H ARG 87 H ARG 87 -1.646 -13.775 -1.948 711 HA ARG 87 HA ARG 87 1.192 -13.698 -2.196 712 HB2 ARG 87 2HB ARG 87 -0.612 -15.712 -0.794 713 HB3 ARG 87 3HB ARG 87 1.144 -15.772 -0.719 714 HG2 ARG 87 2HG ARG 87 1.102 -13.473 0.322 715 HG3 ARG 87 3HG ARG 87 -0.656 -13.605 0.394 716 HD2 ARG 87 2HD ARG 87 1.384 -15.342 1.813 717 HD3 ARG 87 3HD ARG 87 0.221 -14.240 2.548 718 HE ARG 87 HE ARG 87 -0.518 -16.748 1.145 719 HH11 ARG 87 1HH1 ARG 87 -1.072 -14.488 3.780 720 HH12 ARG 87 2HH1 ARG 87 -2.381 -15.402 4.447 721 HH21 ARG 87 1HH2 ARG 87 -2.248 -17.930 2.036 722 HH22 ARG 87 2HH2 ARG 87 -3.048 -17.355 3.460 723 H LYS 88 H LYS 88 -1.257 -16.039 -3.372 724 HA LYS 88 HA LYS 88 0.712 -17.896 -4.343 725 HB2 LYS 88 2HB LYS 88 -1.140 -19.168 -5.291 726 HB3 LYS 88 3HB LYS 88 -1.510 -18.673 -3.646 727 HG2 LYS 88 2HG LYS 88 -2.985 -16.908 -4.472 728 HG3 LYS 88 3HG LYS 88 -2.576 -17.320 -6.141 729 HD2 LYS 88 2HD LYS 88 -3.556 -19.596 -5.782 730 HD3 LYS 88 3HD LYS 88 -4.028 -19.114 -4.150 731 HE2 LYS 88 2HE LYS 88 -5.513 -17.398 -5.054 732 HE3 LYS 88 3HE LYS 88 -4.980 -17.766 -6.699 733 HZ1 LYS 88 1HZ LYS 88 -7.115 -18.796 -6.110 734 HZ2 LYS 88 2HZ LYS 88 -6.342 -19.696 -4.906 735 HZ3 LYS 88 3HZ LYS 88 -5.938 -19.938 -6.525 736 H GLN 89 H GLN 89 -1.222 -15.321 -5.884 737 HA GLN 89 HA GLN 89 -0.274 -15.822 -8.552 738 HB2 GLN 89 2HB GLN 89 -1.477 -13.302 -7.330 739 HB3 GLN 89 3HB GLN 89 -1.203 -13.553 -9.053 740 HG2 GLN 89 2HG GLN 89 -2.812 -15.408 -9.058 741 HG3 GLN 89 3HG GLN 89 -3.065 -15.203 -7.324 742 HE21 GLN 89 1HE2 GLN 89 -4.174 -13.353 -6.582 743 HE22 GLN 89 2HE2 GLN 89 -5.146 -12.387 -7.627 744 H TYR 90 H TYR 90 0.675 -13.595 -5.967 745 HA TYR 90 HA TYR 90 3.224 -12.991 -7.358 746 HB2 TYR 90 2HB TYR 90 1.663 -11.013 -5.644 747 HB3 TYR 90 3HB TYR 90 3.081 -10.681 -6.627 748 HD1 TYR 90 HD1 TYR 90 2.816 -10.741 -9.188 749 HD2 TYR 90 HD2 TYR 90 -0.550 -10.779 -6.548 750 HE1 TYR 90 HE1 TYR 90 1.360 -10.020 -11.029 751 HE2 TYR 90 HE2 TYR 90 -2.008 -10.064 -8.398 752 HH TYR 90 HH TYR 90 -0.955 -10.040 -11.675 753 HA PRO 91 HA PRO 91 4.151 -14.637 -3.120 754 HB2 PRO 91 2HB PRO 91 6.395 -16.037 -3.762 755 HB3 PRO 91 3HB PRO 91 4.768 -16.662 -4.095 756 HG2 PRO 91 2HG PRO 91 6.685 -15.321 -5.976 757 HG3 PRO 91 3HG PRO 91 5.691 -16.772 -6.235 758 HD2 PRO 91 2HD PRO 91 4.972 -14.290 -7.149 759 HD3 PRO 91 3HD PRO 91 3.785 -15.543 -6.719 760 H LYS 92 H LYS 92 5.996 -12.704 -5.346 761 HA LYS 92 HA LYS 92 8.153 -12.085 -3.509 762 HB2 LYS 92 2HB LYS 92 7.537 -11.142 -6.337 763 HB3 LYS 92 3HB LYS 92 8.951 -10.619 -5.430 764 HG2 LYS 92 2HG LYS 92 8.323 -13.486 -6.214 765 HG3 LYS 92 3HG LYS 92 9.487 -12.434 -7.018 766 HD2 LYS 92 2HD LYS 92 9.668 -13.361 -4.123 767 HD3 LYS 92 3HD LYS 92 10.577 -14.045 -5.469 768 HE2 LYS 92 2HE LYS 92 11.755 -11.928 -5.806 769 HE3 LYS 92 3HE LYS 92 10.770 -11.150 -4.566 770 HZ1 LYS 92 1HZ LYS 92 11.765 -12.509 -2.897 771 HZ2 LYS 92 2HZ LYS 92 13.011 -11.818 -3.805 772 HZ3 LYS 92 3HZ LYS 92 12.591 -13.436 -4.042 773 H VAL 93 H VAL 93 5.040 -10.689 -4.139 774 HA VAL 93 HA VAL 93 5.737 -8.000 -3.282 775 HB VAL 93 HB VAL 93 3.783 -8.292 -4.761 776 HG11 VAL 93 1HG1 VAL 93 3.008 -10.485 -4.031 777 HG12 VAL 93 2HG1 VAL 93 1.684 -9.320 -3.995 778 HG13 VAL 93 3HG1 VAL 93 2.473 -9.811 -2.493 779 HG21 VAL 93 1HG2 VAL 93 2.156 -6.874 -3.612 780 HG22 VAL 93 2HG2 VAL 93 3.789 -6.354 -3.199 781 HG23 VAL 93 3HG2 VAL 93 2.851 -7.293 -2.043 782 H GLU 94 H GLU 94 5.597 -7.151 -1.192 783 HA GLU 94 HA GLU 94 5.259 -8.899 1.066 784 HB2 GLU 94 2HB GLU 94 5.469 -5.866 0.848 785 HB3 GLU 94 3HB GLU 94 5.373 -6.724 2.380 786 HG2 GLU 94 2HG GLU 94 7.583 -6.956 0.324 787 HG3 GLU 94 3HG GLU 94 7.679 -6.136 1.882 788 H THR 95 H THR 95 3.294 -9.642 1.631 789 HA THR 95 HA THR 95 0.931 -7.837 1.493 790 HB THR 95 HB THR 95 -0.473 -9.923 1.334 791 HG1 THR 95 HG1 THR 95 1.409 -11.261 2.159 792 HG21 THR 95 1HG2 THR 95 0.079 -8.714 -0.741 793 HG22 THR 95 2HG2 THR 95 -0.006 -10.453 -1.026 794 HG23 THR 95 3HG2 THR 95 1.563 -9.656 -0.902 795 H ARG 96 H ARG 96 -0.193 -7.554 3.357 796 HA ARG 96 HA ARG 96 0.050 -9.453 5.558 797 HB2 ARG 96 2HB ARG 96 1.805 -7.756 6.043 798 HB3 ARG 96 3HB ARG 96 0.609 -6.466 5.927 799 HG2 ARG 96 2HG ARG 96 -0.619 -7.507 7.855 800 HG3 ARG 96 3HG ARG 96 0.680 -8.692 7.994 801 HD2 ARG 96 2HD ARG 96 2.281 -6.860 8.457 802 HD3 ARG 96 3HD ARG 96 0.960 -5.689 8.343 803 HE ARG 96 HE ARG 96 0.838 -7.874 10.322 804 HH11 ARG 96 1HH1 ARG 96 0.993 -4.423 9.692 805 HH12 ARG 96 2HH1 ARG 96 0.656 -3.984 11.330 806 HH21 ARG 96 1HH2 ARG 96 0.447 -7.269 12.474 807 HH22 ARG 96 2HH2 ARG 96 0.347 -5.589 12.894 808 H ARG 97 H ARG 97 -1.909 -9.815 6.360 809 HA ARG 97 HA ARG 97 -4.233 -8.392 5.528 810 HB2 ARG 97 2HB ARG 97 -4.221 -10.842 5.989 811 HB3 ARG 97 3HB ARG 97 -3.906 -10.521 7.686 812 HG2 ARG 97 2HG ARG 97 -6.275 -9.042 6.919 813 HG3 ARG 97 3HG ARG 97 -6.452 -10.700 6.346 814 HD2 ARG 97 2HD ARG 97 -7.405 -10.447 8.572 815 HD3 ARG 97 3HD ARG 97 -6.009 -11.523 8.627 816 HE ARG 97 HE ARG 97 -4.754 -9.434 9.379 817 HH11 ARG 97 1HH1 ARG 97 -8.111 -10.091 10.233 818 HH12 ARG 97 2HH1 ARG 97 -8.034 -9.161 11.694 819 HH21 ARG 97 1HH2 ARG 97 -4.702 -8.178 11.223 820 HH22 ARG 97 2HH2 ARG 97 -6.092 -8.073 12.253 821 H ALA 98 H ALA 98 -5.044 -6.616 6.439 822 HA ALA 98 HA ALA 98 -4.538 -5.846 9.205 823 HB1 ALA 98 1HB ALA 98 -3.667 -3.614 8.551 824 HB2 ALA 98 2HB ALA 98 -3.652 -4.115 6.857 825 HB3 ALA 98 3HB ALA 98 -2.586 -4.904 8.019 826 H GLN 99 H GLN 99 -6.450 -5.241 9.904 827 HA GLN 99 HA GLN 99 -8.550 -4.374 7.987 828 HB2 GLN 99 2HB GLN 99 -8.928 -5.511 10.796 829 HB3 GLN 99 3HB GLN 99 -10.201 -5.138 9.637 830 HG2 GLN 99 2HG GLN 99 -9.241 -6.890 8.114 831 HG3 GLN 99 3HG GLN 99 -8.116 -7.330 9.398 832 HE21 GLN 99 1HE2 GLN 99 -10.125 -9.003 8.152 833 HE22 GLN 99 2HE2 GLN 99 -11.217 -9.491 9.399 834 H ASP 100 H ASP 100 -7.490 -3.851 11.336 835 HA ASP 100 HA ASP 100 -9.055 -1.418 11.583 836 HB2 ASP 100 2HB ASP 100 -8.816 -3.163 13.437 837 HB3 ASP 100 3HB ASP 100 -7.151 -2.639 13.646 838 H LYS 101 H LYS 101 -8.124 0.544 12.346 839 HA LYS 101 HA LYS 101 -6.266 1.664 10.624 840 HB2 LYS 101 2HB LYS 101 -6.483 3.661 12.052 841 HB3 LYS 101 3HB LYS 101 -8.043 2.911 11.740 842 HG2 LYS 101 2HG LYS 101 -7.809 1.762 14.014 843 HG3 LYS 101 3HG LYS 101 -6.431 2.828 14.308 844 HD2 LYS 101 2HD LYS 101 -7.938 4.799 13.986 845 HD3 LYS 101 3HD LYS 101 -9.300 3.693 13.783 846 HE2 LYS 101 2HE LYS 101 -9.289 4.520 16.064 847 HE3 LYS 101 3HE LYS 101 -8.863 2.804 16.080 848 HZ1 LYS 101 1HZ LYS 101 -7.466 4.158 17.542 849 HZ2 LYS 101 2HZ LYS 101 -6.905 5.035 16.211 850 HZ3 LYS 101 3HZ LYS 101 -6.563 3.385 16.341 851 H GLU 102 H GLU 102 -5.791 0.334 13.849 852 HA GLU 102 HA GLU 102 -3.160 1.374 14.248 853 HB2 GLU 102 2HB GLU 102 -3.022 -0.154 16.178 854 HB3 GLU 102 3HB GLU 102 -4.511 0.777 16.183 855 HG2 GLU 102 2HG GLU 102 -5.798 -1.141 15.458 856 HG3 GLU 102 3HG GLU 102 -4.336 -2.093 15.213 857 H GLU 103 H GLU 103 -4.457 -1.646 13.005 858 HA GLU 103 HA GLU 103 -2.023 -3.082 12.833 859 HB2 GLU 103 2HB GLU 103 -4.525 -3.530 11.151 860 HB3 GLU 103 3HB GLU 103 -3.270 -4.708 11.528 861 HG2 GLU 103 2HG GLU 103 -3.922 -4.519 13.960 862 HG3 GLU 103 3HG GLU 103 -5.271 -3.500 13.466 863 H VAL 104 H VAL 104 -3.658 -0.878 10.642 864 HA VAL 104 HA VAL 104 -2.077 -1.497 8.325 865 HB VAL 104 HB VAL 104 -3.859 0.910 8.890 866 HG11 VAL 104 1HG1 VAL 104 -3.895 1.235 6.440 867 HG12 VAL 104 2HG1 VAL 104 -2.738 -0.074 6.243 868 HG13 VAL 104 3HG1 VAL 104 -2.262 1.398 7.087 869 HG21 VAL 104 1HG2 VAL 104 -4.479 -1.690 7.435 870 HG22 VAL 104 2HG2 VAL 104 -5.571 -0.311 7.582 871 HG23 VAL 104 3HG2 VAL 104 -5.090 -1.212 9.020 872 H LYS 105 H LYS 105 -2.140 1.291 10.625 873 HA LYS 105 HA LYS 105 0.047 2.640 9.426 874 HB2 LYS 105 2HB LYS 105 0.080 4.087 11.378 875 HB3 LYS 105 3HB LYS 105 -1.582 3.786 10.899 876 HG2 LYS 105 2HG LYS 105 -1.776 2.102 12.724 877 HG3 LYS 105 3HG LYS 105 -0.130 2.497 13.228 878 HD2 LYS 105 2HD LYS 105 -0.848 4.843 13.671 879 HD3 LYS 105 3HD LYS 105 -2.494 4.422 13.193 880 HE2 LYS 105 2HE LYS 105 -2.590 2.787 15.066 881 HE3 LYS 105 3HE LYS 105 -0.970 3.274 15.557 882 HZ1 LYS 105 1HZ LYS 105 -3.310 5.092 15.417 883 HZ2 LYS 105 2HZ LYS 105 -1.781 5.471 16.019 884 HZ3 LYS 105 3HZ LYS 105 -2.759 4.357 16.832 885 H ASP 106 H ASP 106 -0.104 0.274 12.054 886 HA ASP 106 HA ASP 106 2.546 0.064 12.844 887 HB2 ASP 106 2HB ASP 106 0.698 -1.090 13.958 888 HB3 ASP 106 3HB ASP 106 0.372 -2.058 12.531 889 H ALA 107 H ALA 107 0.904 -1.450 10.074 890 HA ALA 107 HA ALA 107 3.050 -3.076 9.164 891 HB1 ALA 107 1HB ALA 107 1.707 -3.325 7.111 892 HB2 ALA 107 2HB ALA 107 0.654 -2.006 7.635 893 HB3 ALA 107 3HB ALA 107 0.708 -3.512 8.553 894 H VAL 108 H VAL 108 1.956 0.182 8.385 895 HA VAL 108 HA VAL 108 3.636 0.764 6.203 896 HB VAL 108 HB VAL 108 2.295 2.589 8.253 897 HG11 VAL 108 1HG1 VAL 108 3.595 3.429 5.635 898 HG12 VAL 108 2HG1 VAL 108 4.187 3.813 7.252 899 HG13 VAL 108 3HG1 VAL 108 2.646 4.470 6.700 900 HG21 VAL 108 1HG2 VAL 108 1.497 1.894 5.398 901 HG22 VAL 108 2HG2 VAL 108 0.603 2.947 6.498 902 HG23 VAL 108 3HG2 VAL 108 0.763 1.228 6.856 903 H GLU 109 H GLU 109 3.962 1.620 9.636 904 HA GLU 109 HA GLU 109 6.467 2.821 9.676 905 HB2 GLU 109 2HB GLU 109 4.913 2.906 11.563 906 HB3 GLU 109 3HB GLU 109 5.016 1.164 11.786 907 HG2 GLU 109 2HG GLU 109 7.423 1.436 12.400 908 HG3 GLU 109 3HG GLU 109 7.224 3.182 12.265 909 H GLU 110 H GLU 110 5.573 -0.592 9.938 910 HA GLU 110 HA GLU 110 8.081 -1.678 10.654 911 HB2 GLU 110 2HB GLU 110 5.804 -2.791 10.895 912 HB3 GLU 110 3HB GLU 110 5.820 -3.075 9.159 913 HG2 GLU 110 2HG GLU 110 6.491 -5.098 10.287 914 HG3 GLU 110 3HG GLU 110 7.887 -4.443 9.432 915 H PHE 111 H PHE 111 6.405 -1.394 7.542 916 HA PHE 111 HA PHE 111 8.165 -2.746 5.842 917 HB2 PHE 111 2HB PHE 111 5.823 -2.083 5.287 918 HB3 PHE 111 3HB PHE 111 6.308 -0.397 5.230 919 HD1 PHE 111 HD1 PHE 111 7.491 -3.622 3.663 920 HD2 PHE 111 HD2 PHE 111 6.379 0.454 3.040 921 HE1 PHE 111 HE1 PHE 111 7.826 -3.900 1.256 922 HE2 PHE 111 HE2 PHE 111 6.732 0.173 0.622 923 HZ PHE 111 HZ PHE 111 7.450 -2.004 -0.276 924 H LEU 112 H LEU 112 8.083 0.587 6.941 925 HA LEU 112 HA LEU 112 10.159 1.553 5.187 926 HB2 LEU 112 2HB LEU 112 8.870 2.805 7.637 927 HB3 LEU 112 3HB LEU 112 9.911 3.654 6.500 928 HG LEU 112 HG LEU 112 7.236 2.387 5.790 929 HD11 LEU 112 1HD1 LEU 112 6.897 4.313 7.231 930 HD12 LEU 112 2HD1 LEU 112 6.351 4.644 5.590 931 HD13 LEU 112 3HD1 LEU 112 7.881 5.317 6.162 932 HD21 LEU 112 1HD2 LEU 112 9.059 4.119 4.105 933 HD22 LEU 112 2HD2 LEU 112 7.450 3.554 3.650 934 HD23 LEU 112 3HD2 LEU 112 8.748 2.393 3.891 935 H LYS 113 H LYS 113 10.057 0.677 8.692 936 HA LYS 113 HA LYS 113 12.754 1.480 9.182 937 HB2 LYS 113 2HB LYS 113 10.845 -0.244 10.815 938 HB3 LYS 113 3HB LYS 113 12.470 0.174 11.365 939 HG2 LYS 113 2HG LYS 113 11.914 2.570 11.228 940 HG3 LYS 113 3HG LYS 113 10.286 2.165 10.682 941 HD2 LYS 113 2HD LYS 113 9.821 1.079 12.855 942 HD3 LYS 113 3HD LYS 113 11.463 1.449 13.400 943 HE2 LYS 113 2HE LYS 113 11.008 3.848 13.240 944 HE3 LYS 113 3HE LYS 113 9.404 3.531 12.582 945 HZ1 LYS 113 1HZ LYS 113 10.341 2.863 15.320 946 HZ2 LYS 113 2HZ LYS 113 8.816 2.481 14.699 947 HZ3 LYS 113 3HZ LYS 113 9.269 4.096 14.890 948 H GLU 114 H GLU 114 11.302 -1.608 8.229 949 HA GLU 114 HA GLU 114 13.906 -2.966 8.225 950 HB2 GLU 114 2HB GLU 114 11.146 -3.972 7.402 951 HB3 GLU 114 3HB GLU 114 12.610 -4.946 7.400 952 HG2 GLU 114 2HG GLU 114 12.793 -4.486 9.893 953 HG3 GLU 114 3HG GLU 114 11.180 -3.780 9.796 954 H GLY 115 H GLY 115 13.107 -0.607 6.398 955 HA2 GLY 115 2HA GLY 115 14.161 0.073 4.459 956 HA3 GLY 115 3HA GLY 115 14.660 -1.586 4.153 957 H GLY 116 H GLY 116 13.002 -3.078 3.345 958 HA2 GLY 116 2HA GLY 116 10.612 -1.917 2.088 959 HA3 GLY 116 3HA GLY 116 11.846 -2.571 1.010 960 H SER 117 H SER 117 10.621 -3.665 4.175 961 HA SER 117 HA SER 117 9.199 -5.932 3.097 962 HB2 SER 117 2HB SER 117 10.638 -7.665 4.220 963 HB3 SER 117 3HB SER 117 11.476 -6.829 2.912 964 HG SER 117 HG SER 117 11.921 -5.445 5.127 965 H LEU 118 H LEU 118 7.959 -7.015 4.645 966 HA LEU 118 HA LEU 118 8.211 -6.270 7.499 967 HB2 LEU 118 2HB LEU 118 5.667 -7.391 6.240 968 HB3 LEU 118 3HB LEU 118 5.880 -6.731 7.851 969 HG LEU 118 HG LEU 118 6.301 -4.452 6.648 970 HD11 LEU 118 1HD1 LEU 118 4.942 -5.928 4.379 971 HD12 LEU 118 2HD1 LEU 118 6.599 -5.318 4.389 972 HD13 LEU 118 3HD1 LEU 118 5.249 -4.191 4.465 973 HD21 LEU 118 1HD2 LEU 118 3.530 -5.697 6.605 974 HD22 LEU 118 2HD2 LEU 118 3.901 -3.970 6.601 975 HD23 LEU 118 3HD2 LEU 118 4.311 -4.953 8.003 976 H GLU 119 H GLU 119 9.712 -7.889 7.865 977 HA GLU 119 HA GLU 119 9.471 -10.557 6.877 978 HB2 GLU 119 2HB GLU 119 11.644 -9.461 7.528 979 HB3 GLU 119 3HB GLU 119 11.158 -9.556 9.218 980 HG2 GLU 119 2HG GLU 119 11.173 -11.987 9.135 981 HG3 GLU 119 3HG GLU 119 11.491 -11.975 7.407 982 H HIS 120 H HIS 120 7.707 -11.685 7.463 983 HA HIS 120 HA HIS 120 5.886 -10.997 9.434 984 HB2 HIS 120 2HB HIS 120 6.149 -13.765 8.191 985 HB3 HIS 120 3HB HIS 120 4.688 -13.059 8.877 986 HD1 HIS 120 HD1 HIS 120 3.649 -11.003 7.509 987 HD2 HIS 120 HD2 HIS 120 6.599 -13.153 5.525 988 HE1 HIS 120 HE1 HIS 120 3.470 -10.337 5.102 989 HE2 HIS 120 HE2 HIS 120 5.132 -11.786 3.901 990 H HIS 121 H HIS 121 8.393 -13.460 9.598 991 HA HIS 121 HA HIS 121 8.192 -13.401 12.555 992 HB2 HIS 121 2HB HIS 121 9.388 -15.533 10.720 993 HB3 HIS 121 3HB HIS 121 9.526 -15.534 12.480 994 HD1 HIS 121 HD1 HIS 121 7.314 -16.635 9.767 995 HD2 HIS 121 HD2 HIS 121 6.935 -15.778 13.820 996 HE1 HIS 121 HE1 HIS 121 5.111 -17.625 10.470 997 HE2 HIS 121 HE2 HIS 121 4.978 -17.210 12.946 998 H HIS 122 H HIS 122 9.480 -11.799 13.139 999 HA HIS 122 HA HIS 122 11.462 -10.653 11.413 1000 HB2 HIS 122 2HB HIS 122 10.675 -9.948 14.277 1001 HB3 HIS 122 3HB HIS 122 11.636 -8.933 13.206 1002 HD1 HIS 122 HD1 HIS 122 10.373 -7.620 11.362 1003 HD2 HIS 122 HD2 HIS 122 7.909 -10.023 13.691 1004 HE1 HIS 122 HE1 HIS 122 8.030 -6.986 10.743 1005 HE2 HIS 122 HE2 HIS 122 6.566 -8.492 12.117 1006 H HIS 123 H HIS 123 13.310 -9.721 13.506 1007 HA HIS 123 HA HIS 123 15.421 -11.453 13.090 1008 HB2 HIS 123 2HB HIS 123 15.649 -9.067 13.759 1009 HB3 HIS 123 3HB HIS 123 15.111 -9.471 15.382 1010 HD1 HIS 123 HD1 HIS 123 17.089 -9.190 16.822 1011 HD2 HIS 123 HD2 HIS 123 18.084 -11.090 13.260 1012 HE1 HIS 123 HE1 HIS 123 19.532 -9.728 17.006 1013 HE2 HIS 123 HE2 HIS 123 20.115 -10.853 14.839 1014 H HIS 124 H HIS 124 14.839 -13.531 13.514 1015 HA HIS 124 HA HIS 124 15.258 -14.502 16.254 1016 HB2 HIS 124 2HB HIS 124 12.940 -15.376 14.454 1017 HB3 HIS 124 3HB HIS 124 13.453 -16.280 15.872 1018 HD1 HIS 124 HD1 HIS 124 13.008 -15.138 18.219 1019 HD2 HIS 124 HD2 HIS 124 11.270 -13.213 14.971 1020 HE1 HIS 124 HE1 HIS 124 11.331 -13.546 19.192 1021 HE2 HIS 124 HE2 HIS 124 10.263 -12.430 17.211 1022 H HIS 125 H HIS 125 16.518 -14.291 13.406 1023 HA HIS 125 HA HIS 125 17.230 -17.014 12.742 1024 HB2 HIS 125 2HB HIS 125 17.141 -15.395 10.930 1025 HB3 HIS 125 3HB HIS 125 18.248 -14.311 11.759 1026 HD1 HIS 125 HD1 HIS 125 20.585 -14.418 10.910 1027 HD2 HIS 125 HD2 HIS 125 18.579 -18.003 10.263 1028 HE1 HIS 125 HE1 HIS 125 22.197 -15.878 9.655 1029 HE2 HIS 125 HE2 HIS 125 20.924 -17.988 9.176 Start of MODEL 17 1 H1 MET 1 1H MET 1 15.257 4.099 -4.537 2 H2 MET 1 2H MET 1 15.645 4.787 -6.032 3 H3 MET 1 3H MET 1 14.108 5.019 -5.368 4 HA MET 1 HA MET 1 16.653 5.982 -4.227 5 HB2 MET 1 2HB MET 1 16.054 7.199 -6.295 6 HB3 MET 1 3HB MET 1 14.448 7.521 -5.660 7 HG2 MET 1 2HG MET 1 15.400 8.942 -3.905 8 HG3 MET 1 3HG MET 1 17.030 8.584 -4.481 9 HE1 MET 1 1HE MET 1 16.329 12.382 -5.491 10 HE2 MET 1 2HE MET 1 17.313 11.327 -4.475 11 HE3 MET 1 3HE MET 1 15.608 11.584 -4.098 12 H GLY 2 H GLY 2 13.292 7.267 -4.009 13 HA2 GLY 2 2HA GLY 2 12.685 6.359 -1.416 14 HA3 GLY 2 3HA GLY 2 13.569 7.876 -1.259 15 H LYS 3 H LYS 3 10.661 6.362 -2.414 16 HA LYS 3 HA LYS 3 9.151 8.820 -2.113 17 HB2 LYS 3 2HB LYS 3 9.882 8.823 -4.547 18 HB3 LYS 3 3HB LYS 3 9.038 7.294 -4.769 19 HG2 LYS 3 2HG LYS 3 7.671 9.142 -5.598 20 HG3 LYS 3 3HG LYS 3 6.892 8.401 -4.194 21 HD2 LYS 3 2HD LYS 3 7.803 10.231 -2.754 22 HD3 LYS 3 3HD LYS 3 8.526 10.975 -4.184 23 HE2 LYS 3 2HE LYS 3 6.252 11.263 -5.146 24 HE3 LYS 3 3HE LYS 3 5.561 10.569 -3.674 25 HZ1 LYS 3 1HZ LYS 3 7.229 13.023 -3.782 26 HZ2 LYS 3 2HZ LYS 3 6.491 12.380 -2.404 27 HZ3 LYS 3 3HZ LYS 3 5.543 12.995 -3.659 28 H VAL 4 H VAL 4 8.162 7.832 -0.434 29 HA VAL 4 HA VAL 4 6.800 5.266 -0.674 30 HB VAL 4 HB VAL 4 6.624 7.183 1.705 31 HG11 VAL 4 1HG1 VAL 4 6.174 5.156 3.016 32 HG12 VAL 4 2HG1 VAL 4 6.376 4.153 1.579 33 HG13 VAL 4 3HG1 VAL 4 5.030 5.294 1.675 34 HG21 VAL 4 1HG2 VAL 4 9.029 6.885 1.249 35 HG22 VAL 4 2HG2 VAL 4 8.838 5.131 1.300 36 HG23 VAL 4 3HG2 VAL 4 8.564 6.090 2.755 37 H VAL 5 H VAL 5 4.794 5.253 -1.538 38 HA VAL 5 HA VAL 5 2.983 7.570 -1.098 39 HB VAL 5 HB VAL 5 3.125 5.737 -3.550 40 HG11 VAL 5 1HG1 VAL 5 1.306 7.124 -4.511 41 HG12 VAL 5 2HG1 VAL 5 1.174 8.004 -2.986 42 HG13 VAL 5 3HG1 VAL 5 0.780 6.285 -3.048 43 HG21 VAL 5 1HG2 VAL 5 4.909 7.444 -3.551 44 HG22 VAL 5 2HG2 VAL 5 3.711 8.719 -3.315 45 HG23 VAL 5 3HG2 VAL 5 3.721 7.786 -4.813 46 H PHE 6 H PHE 6 1.585 6.926 0.449 47 HA PHE 6 HA PHE 6 0.588 4.184 0.584 48 HB2 PHE 6 2HB PHE 6 1.133 5.406 2.698 49 HB3 PHE 6 3HB PHE 6 -0.109 6.596 2.323 50 HD1 PHE 6 HD1 PHE 6 0.436 2.983 3.007 51 HD2 PHE 6 HD2 PHE 6 -2.401 6.183 2.992 52 HE1 PHE 6 HE1 PHE 6 -1.219 1.518 4.067 53 HE2 PHE 6 HE2 PHE 6 -4.054 4.705 4.056 54 HZ PHE 6 HZ PHE 6 -3.463 2.370 4.578 55 H LEU 7 H LEU 7 -0.884 3.752 -0.924 56 HA LEU 7 HA LEU 7 -3.087 5.593 -1.545 57 HB2 LEU 7 2HB LEU 7 -1.979 4.412 -3.413 58 HB3 LEU 7 3HB LEU 7 -2.300 2.868 -2.649 59 HG LEU 7 HG LEU 7 -4.747 3.198 -2.995 60 HD11 LEU 7 1HD1 LEU 7 -3.967 5.729 -4.461 61 HD12 LEU 7 2HD1 LEU 7 -4.869 5.620 -2.949 62 HD13 LEU 7 3HD1 LEU 7 -5.576 5.001 -4.438 63 HD21 LEU 7 1HD2 LEU 7 -3.426 1.959 -4.653 64 HD22 LEU 7 2HD2 LEU 7 -3.136 3.451 -5.552 65 HD23 LEU 7 3HD2 LEU 7 -4.776 2.813 -5.402 66 H SER 8 H SER 8 -5.166 5.225 -0.723 67 HA SER 8 HA SER 8 -5.928 2.596 0.278 68 HB2 SER 8 2HB SER 8 -5.028 3.726 2.297 69 HB3 SER 8 3HB SER 8 -6.087 5.102 2.021 70 HG SER 8 HG SER 8 -7.147 3.896 3.481 71 H ASP 9 H ASP 9 -8.258 2.521 0.700 72 HA ASP 9 HA ASP 9 -9.844 4.477 -0.887 73 HB2 ASP 9 2HB ASP 9 -9.558 1.695 -1.304 74 HB3 ASP 9 3HB ASP 9 -11.071 1.792 -0.421 75 H ASP 10 H ASP 10 -9.028 3.892 2.124 76 HA ASP 10 HA ASP 10 -11.708 3.966 3.393 77 HB2 ASP 10 2HB ASP 10 -9.223 2.511 4.421 78 HB3 ASP 10 3HB ASP 10 -10.826 2.473 5.135 79 H GLN 11 H GLN 11 -11.909 5.792 4.657 80 HA GLN 11 HA GLN 11 -9.874 7.729 4.797 81 HB2 GLN 11 2HB GLN 11 -12.247 8.336 4.719 82 HB3 GLN 11 3HB GLN 11 -12.509 7.634 6.312 83 HG2 GLN 11 2HG GLN 11 -12.386 10.071 6.467 84 HG3 GLN 11 3HG GLN 11 -11.023 9.350 7.315 85 HE21 GLN 11 1HE2 GLN 11 -8.894 9.622 6.411 86 HE22 GLN 11 2HE2 GLN 11 -8.583 10.831 5.219 87 H GLU 12 H GLU 12 -11.307 5.871 7.565 88 HA GLU 12 HA GLU 12 -9.894 7.004 9.676 89 HB2 GLU 12 2HB GLU 12 -10.751 4.098 9.418 90 HB3 GLU 12 3HB GLU 12 -10.300 4.886 10.926 91 HG2 GLU 12 2HG GLU 12 -12.250 6.360 10.774 92 HG3 GLU 12 3HG GLU 12 -12.682 5.648 9.216 93 H ILE 13 H ILE 13 -8.985 4.371 7.581 94 HA ILE 13 HA ILE 13 -6.574 3.486 8.603 95 HB ILE 13 HB ILE 13 -7.507 3.823 5.726 96 HG12 ILE 13 2HG1 ILE 13 -8.992 2.366 7.102 97 HG13 ILE 13 3HG1 ILE 13 -8.194 1.465 5.823 98 HG21 ILE 13 1HG2 ILE 13 -5.839 2.145 5.094 99 HG22 ILE 13 2HG2 ILE 13 -5.219 2.139 6.742 100 HG23 ILE 13 3HG2 ILE 13 -5.084 3.595 5.757 101 HD11 ILE 13 1HD1 ILE 13 -8.304 0.175 7.841 102 HD12 ILE 13 2HD1 ILE 13 -7.472 1.436 8.743 103 HD13 ILE 13 3HD1 ILE 13 -6.624 0.556 7.472 104 H ILE 14 H ILE 14 -7.122 6.019 6.136 105 HA ILE 14 HA ILE 14 -4.461 6.794 5.678 106 HB ILE 14 HB ILE 14 -6.978 8.504 5.327 107 HG12 ILE 14 2HG1 ILE 14 -5.653 6.735 3.223 108 HG13 ILE 14 3HG1 ILE 14 -7.034 6.221 4.179 109 HG21 ILE 14 1HG2 ILE 14 -4.886 9.824 5.140 110 HG22 ILE 14 2HG2 ILE 14 -5.723 9.716 3.593 111 HG23 ILE 14 3HG2 ILE 14 -4.300 8.716 3.896 112 HD11 ILE 14 1HD1 ILE 14 -7.711 6.970 1.979 113 HD12 ILE 14 2HD1 ILE 14 -6.991 8.553 2.265 114 HD13 ILE 14 3HD1 ILE 14 -8.377 8.025 3.224 115 H GLU 15 H GLU 15 -6.848 7.944 8.013 116 HA GLU 15 HA GLU 15 -5.538 10.301 8.918 117 HB2 GLU 15 2HB GLU 15 -7.598 8.525 10.314 118 HB3 GLU 15 3HB GLU 15 -7.143 10.147 10.842 119 HG2 GLU 15 2HG GLU 15 -7.992 11.097 8.744 120 HG3 GLU 15 3HG GLU 15 -8.406 9.489 8.157 121 H GLU 16 H GLU 16 -5.418 6.939 9.900 122 HA GLU 16 HA GLU 16 -3.800 7.371 12.248 123 HB2 GLU 16 2HB GLU 16 -4.858 4.918 10.820 124 HB3 GLU 16 3HB GLU 16 -3.743 4.775 12.177 125 HG2 GLU 16 2HG GLU 16 -6.375 6.271 12.343 126 HG3 GLU 16 3HG GLU 16 -6.198 4.566 12.740 127 H VAL 17 H VAL 17 -3.208 6.224 8.925 128 HA VAL 17 HA VAL 17 -0.450 5.590 9.312 129 HB VAL 17 HB VAL 17 -2.016 6.193 6.757 130 HG11 VAL 17 1HG1 VAL 17 0.367 6.587 6.315 131 HG12 VAL 17 2HG1 VAL 17 -0.155 5.102 5.516 132 HG13 VAL 17 3HG1 VAL 17 0.782 5.017 7.010 133 HG21 VAL 17 1HG2 VAL 17 -2.057 3.740 6.469 134 HG22 VAL 17 2HG2 VAL 17 -2.819 4.213 7.986 135 HG23 VAL 17 3HG2 VAL 17 -1.189 3.539 7.993 136 H SER 18 H SER 18 -2.200 8.507 8.310 137 HA SER 18 HA SER 18 0.054 10.151 7.767 138 HB2 SER 18 2HB SER 18 -2.266 10.637 6.963 139 HB3 SER 18 3HB SER 18 -2.757 10.984 8.618 140 HG SER 18 HG SER 18 -1.535 12.581 6.824 141 H LYS 19 H LYS 19 -1.803 9.411 10.711 142 HA LYS 19 HA LYS 19 -0.595 11.192 12.525 143 HB2 LYS 19 2HB LYS 19 -2.580 9.927 13.180 144 HB3 LYS 19 3HB LYS 19 -1.754 8.400 12.938 145 HG2 LYS 19 2HG LYS 19 -2.045 8.925 15.337 146 HG3 LYS 19 3HG LYS 19 -0.343 8.789 14.899 147 HD2 LYS 19 2HD LYS 19 -0.695 10.671 16.431 148 HD3 LYS 19 3HD LYS 19 -0.155 11.257 14.857 149 HE2 LYS 19 2HE LYS 19 -2.544 11.797 14.307 150 HE3 LYS 19 3HE LYS 19 -2.992 11.314 15.946 151 HZ1 LYS 19 1HZ LYS 19 -2.718 13.684 15.828 152 HZ2 LYS 19 2HZ LYS 19 -1.158 13.531 15.207 153 HZ3 LYS 19 3HZ LYS 19 -1.488 13.039 16.788 154 H LYS 20 H LYS 20 0.222 7.808 11.798 155 HA LYS 20 HA LYS 20 2.564 7.504 13.262 156 HB2 LYS 20 2HB LYS 20 1.322 5.636 12.266 157 HB3 LYS 20 3HB LYS 20 1.645 6.234 10.646 158 HG2 LYS 20 2HG LYS 20 3.024 4.284 11.132 159 HG3 LYS 20 3HG LYS 20 4.039 5.710 10.914 160 HD2 LYS 20 2HD LYS 20 4.900 4.445 12.771 161 HD3 LYS 20 3HD LYS 20 4.183 5.920 13.414 162 HE2 LYS 20 2HE LYS 20 2.173 4.637 14.092 163 HE3 LYS 20 3HE LYS 20 2.887 3.165 13.421 164 HZ1 LYS 20 1HZ LYS 20 4.746 3.445 14.991 165 HZ2 LYS 20 2HZ LYS 20 3.263 3.230 15.774 166 HZ3 LYS 20 3HZ LYS 20 3.954 4.769 15.685 167 H ALA 21 H ALA 21 2.109 8.635 9.933 168 HA ALA 21 HA ALA 21 4.818 8.840 9.178 169 HB1 ALA 21 1HB ALA 21 3.968 10.091 7.251 170 HB2 ALA 21 2HB ALA 21 2.400 10.276 8.046 171 HB3 ALA 21 3HB ALA 21 2.967 8.673 7.570 172 H GLU 22 H GLU 22 2.563 11.159 10.669 173 HA GLU 22 HA GLU 22 4.221 13.472 10.325 174 HB2 GLU 22 2HB GLU 22 1.766 13.652 10.614 175 HB3 GLU 22 3HB GLU 22 1.897 13.017 12.252 176 HG2 GLU 22 2HG GLU 22 3.180 14.987 12.952 177 HG3 GLU 22 3HG GLU 22 3.167 15.613 11.305 178 H GLU 23 H GLU 23 3.533 11.355 13.126 179 HA GLU 23 HA GLU 23 5.101 12.579 15.085 180 HB2 GLU 23 2HB GLU 23 4.499 9.612 14.721 181 HB3 GLU 23 3HB GLU 23 5.138 10.326 16.201 182 HG2 GLU 23 2HG GLU 23 3.105 11.615 16.525 183 HG3 GLU 23 3HG GLU 23 2.463 11.064 14.976 184 H GLU 24 H GLU 24 5.993 9.941 12.846 185 HA GLU 24 HA GLU 24 8.718 9.814 13.851 186 HB2 GLU 24 2HB GLU 24 7.469 8.312 11.510 187 HB3 GLU 24 3HB GLU 24 8.994 7.938 12.308 188 HG2 GLU 24 2HG GLU 24 6.204 7.657 13.452 189 HG3 GLU 24 3HG GLU 24 7.340 6.367 13.068 190 H GLY 25 H GLY 25 7.099 11.615 11.450 191 HA2 GLY 25 2HA GLY 25 7.900 13.262 10.058 192 HA3 GLY 25 3HA GLY 25 9.546 12.833 10.489 193 H TYR 26 H TYR 26 7.507 10.283 9.384 194 HA TYR 26 HA TYR 26 9.076 9.645 7.095 195 HB2 TYR 26 2HB TYR 26 6.296 8.692 7.932 196 HB3 TYR 26 3HB TYR 26 7.205 8.002 6.598 197 HD1 TYR 26 HD1 TYR 26 9.956 8.042 8.157 198 HD2 TYR 26 HD2 TYR 26 6.043 6.590 9.111 199 HE1 TYR 26 HE1 TYR 26 10.942 6.318 9.601 200 HE2 TYR 26 HE2 TYR 26 7.034 4.875 10.566 201 HH TYR 26 HH TYR 26 10.182 4.927 11.626 202 H ASP 27 H ASP 27 9.002 10.708 5.157 203 HA ASP 27 HA ASP 27 6.740 12.301 4.300 204 HB2 ASP 27 2HB ASP 27 9.312 11.482 2.875 205 HB3 ASP 27 3HB ASP 27 8.087 12.514 2.141 206 H ILE 28 H ILE 28 4.959 11.224 3.799 207 HA ILE 28 HA ILE 28 5.018 8.979 1.867 208 HB ILE 28 HB ILE 28 3.174 9.119 4.318 209 HG12 ILE 28 2HG1 ILE 28 5.560 7.260 3.877 210 HG13 ILE 28 3HG1 ILE 28 5.525 8.611 5.002 211 HG21 ILE 28 1HG2 ILE 28 2.492 6.841 3.680 212 HG22 ILE 28 2HG2 ILE 28 3.558 6.902 2.275 213 HG23 ILE 28 3HG2 ILE 28 2.166 7.983 2.373 214 HD11 ILE 28 1HD1 ILE 28 3.737 7.489 6.263 215 HD12 ILE 28 2HD1 ILE 28 5.222 6.547 6.178 216 HD13 ILE 28 3HD1 ILE 28 3.845 6.110 5.165 217 H GLN 29 H GLN 29 3.753 9.489 0.123 218 HA GLN 29 HA GLN 29 1.793 11.640 0.184 219 HB2 GLN 29 2HB GLN 29 3.145 11.419 -1.820 220 HB3 GLN 29 3HB GLN 29 2.748 9.715 -1.984 221 HG2 GLN 29 2HG GLN 29 1.585 11.056 -3.668 222 HG3 GLN 29 3HG GLN 29 0.434 10.284 -2.582 223 HE21 GLN 29 1HE2 GLN 29 -0.828 11.597 -1.225 224 HE22 GLN 29 2HE2 GLN 29 -0.930 13.309 -1.430 225 H THR 30 H THR 30 -0.104 11.170 1.173 226 HA THR 30 HA THR 30 -1.332 8.505 0.889 227 HB THR 30 HB THR 30 -2.948 9.404 2.672 228 HG1 THR 30 HG1 THR 30 -2.755 11.468 3.039 229 HG21 THR 30 1HG2 THR 30 -0.016 9.202 3.458 230 HG22 THR 30 2HG2 THR 30 -1.134 7.845 3.291 231 HG23 THR 30 3HG2 THR 30 -1.384 9.050 4.559 232 H SER 31 H SER 31 -3.074 8.186 -0.381 233 HA SER 31 HA SER 31 -4.693 10.364 -1.454 234 HB2 SER 31 2HB SER 31 -2.949 8.652 -3.307 235 HB3 SER 31 3HB SER 31 -4.147 9.837 -3.832 236 HG SER 31 HG SER 31 -2.728 11.256 -2.326 237 H ASN 32 H ASN 32 -6.473 9.512 -2.842 238 HA ASN 32 HA ASN 32 -7.175 6.661 -2.356 239 HB2 ASN 32 2HB ASN 32 -9.065 9.039 -2.694 240 HB3 ASN 32 3HB ASN 32 -9.589 7.357 -2.639 241 HD21 ASN 32 1HD2 ASN 32 -10.547 6.999 -0.723 242 HD22 ASN 32 2HD2 ASN 32 -9.974 7.558 0.808 243 H ASP 33 H ASP 33 -6.654 9.148 -4.678 244 HA ASP 33 HA ASP 33 -8.084 8.072 -6.886 245 HB2 ASP 33 2HB ASP 33 -5.671 9.951 -6.904 246 HB3 ASP 33 3HB ASP 33 -6.774 9.669 -8.249 247 H LYS 34 H LYS 34 -7.567 5.832 -6.913 248 HA LYS 34 HA LYS 34 -4.963 4.751 -6.940 249 HB2 LYS 34 2HB LYS 34 -5.958 2.646 -7.486 250 HB3 LYS 34 3HB LYS 34 -7.137 3.484 -6.486 251 HG2 LYS 34 2HG LYS 34 -8.407 4.112 -8.532 252 HG3 LYS 34 3HG LYS 34 -7.227 3.240 -9.507 253 HD2 LYS 34 2HD LYS 34 -9.062 1.766 -9.325 254 HD3 LYS 34 3HD LYS 34 -7.883 1.145 -8.173 255 HE2 LYS 34 2HE LYS 34 -10.271 2.884 -7.443 256 HE3 LYS 34 3HE LYS 34 -10.242 1.128 -7.329 257 HZ1 LYS 34 1HZ LYS 34 -8.377 1.374 -5.738 258 HZ2 LYS 34 2HZ LYS 34 -9.833 2.035 -5.193 259 HZ3 LYS 34 3HZ LYS 34 -8.611 3.045 -5.764 260 H LYS 35 H LYS 35 -7.049 6.000 -9.439 261 HA LYS 35 HA LYS 35 -5.730 5.153 -11.774 262 HB2 LYS 35 2HB LYS 35 -7.368 7.668 -11.246 263 HB3 LYS 35 3HB LYS 35 -6.934 7.074 -12.846 264 HG2 LYS 35 2HG LYS 35 -8.623 5.534 -10.844 265 HG3 LYS 35 3HG LYS 35 -9.274 6.514 -12.159 266 HD2 LYS 35 2HD LYS 35 -7.500 4.056 -12.481 267 HD3 LYS 35 3HD LYS 35 -9.247 4.116 -12.729 268 HE2 LYS 35 2HE LYS 35 -7.159 5.601 -14.366 269 HE3 LYS 35 3HE LYS 35 -8.100 4.201 -14.879 270 HZ1 LYS 35 1HZ LYS 35 -9.045 6.192 -15.776 271 HZ2 LYS 35 2HZ LYS 35 -9.174 6.896 -14.245 272 HZ3 LYS 35 3HZ LYS 35 -10.114 5.547 -14.639 273 H GLU 36 H GLU 36 -5.326 8.064 -9.776 274 HA GLU 36 HA GLU 36 -3.321 9.347 -11.301 275 HB2 GLU 36 2HB GLU 36 -4.617 10.535 -9.562 276 HB3 GLU 36 3HB GLU 36 -3.916 9.502 -8.319 277 HG2 GLU 36 2HG GLU 36 -1.626 10.437 -9.042 278 HG3 GLU 36 3HG GLU 36 -2.524 11.637 -9.964 279 H ILE 37 H ILE 37 -3.200 7.040 -8.571 280 HA ILE 37 HA ILE 37 -0.387 7.263 -8.185 281 HB ILE 37 HB ILE 37 -2.268 5.067 -7.202 282 HG12 ILE 37 2HG1 ILE 37 -3.066 7.223 -6.386 283 HG13 ILE 37 3HG1 ILE 37 -2.273 6.414 -5.045 284 HG21 ILE 37 1HG2 ILE 37 -0.558 4.676 -5.455 285 HG22 ILE 37 2HG2 ILE 37 0.494 5.870 -6.219 286 HG23 ILE 37 3HG2 ILE 37 0.086 4.380 -7.073 287 HD11 ILE 37 1HD1 ILE 37 -1.206 8.710 -6.690 288 HD12 ILE 37 2HD1 ILE 37 -0.259 7.842 -5.480 289 HD13 ILE 37 3HD1 ILE 37 -1.704 8.727 -5.000 290 H ILE 38 H ILE 38 -2.402 4.946 -9.990 291 HA ILE 38 HA ILE 38 -0.419 3.176 -10.944 292 HB ILE 38 HB ILE 38 -3.069 4.083 -12.176 293 HG12 ILE 38 2HG1 ILE 38 -2.376 1.415 -10.856 294 HG13 ILE 38 3HG1 ILE 38 -3.160 2.753 -10.028 295 HG21 ILE 38 1HG2 ILE 38 -2.962 2.210 -13.768 296 HG22 ILE 38 2HG2 ILE 38 -1.352 1.789 -13.187 297 HG23 ILE 38 3HG2 ILE 38 -1.612 3.319 -14.017 298 HD11 ILE 38 1HD1 ILE 38 -5.068 2.578 -11.563 299 HD12 ILE 38 2HD1 ILE 38 -4.780 1.090 -10.665 300 HD13 ILE 38 3HD1 ILE 38 -4.294 1.201 -12.357 301 H ASP 39 H ASP 39 -1.571 6.316 -12.084 302 HA ASP 39 HA ASP 39 -0.122 6.558 -14.499 303 HB2 ASP 39 2HB ASP 39 -2.104 7.931 -13.865 304 HB3 ASP 39 3HB ASP 39 -1.174 8.714 -12.610 305 H ARG 40 H ARG 40 0.700 7.363 -11.142 306 HA ARG 40 HA ARG 40 3.169 8.757 -11.736 307 HB2 ARG 40 2HB ARG 40 2.152 7.640 -9.088 308 HB3 ARG 40 3HB ARG 40 3.450 8.820 -9.284 309 HG2 ARG 40 2HG ARG 40 1.903 10.501 -10.071 310 HG3 ARG 40 3HG ARG 40 0.614 9.314 -10.194 311 HD2 ARG 40 2HD ARG 40 0.201 10.648 -8.243 312 HD3 ARG 40 3HD ARG 40 0.670 9.036 -7.713 313 HE ARG 40 HE ARG 40 3.003 10.235 -7.569 314 HH11 ARG 40 1HH1 ARG 40 -0.126 11.518 -6.505 315 HH12 ARG 40 2HH1 ARG 40 0.582 12.501 -5.264 316 HH21 ARG 40 1HH2 ARG 40 3.894 11.537 -5.984 317 HH22 ARG 40 2HH2 ARG 40 2.878 12.507 -4.971 318 H LEU 41 H LEU 41 2.229 5.481 -10.892 319 HA LEU 41 HA LEU 41 4.817 4.334 -10.606 320 HB2 LEU 41 2HB LEU 41 2.126 3.133 -11.371 321 HB3 LEU 41 3HB LEU 41 3.564 2.163 -11.119 322 HG LEU 41 HG LEU 41 2.354 3.916 -8.937 323 HD11 LEU 41 1HD1 LEU 41 0.694 2.229 -9.565 324 HD12 LEU 41 2HD1 LEU 41 1.363 1.880 -7.974 325 HD13 LEU 41 3HD1 LEU 41 1.890 0.944 -9.377 326 HD21 LEU 41 1HD2 LEU 41 4.714 3.402 -8.629 327 HD22 LEU 41 2HD2 LEU 41 4.395 1.674 -8.817 328 HD23 LEU 41 3HD2 LEU 41 3.735 2.552 -7.434 329 H LYS 42 H LYS 42 2.721 5.002 -13.392 330 HA LYS 42 HA LYS 42 4.255 3.732 -15.425 331 HB2 LYS 42 2HB LYS 42 2.380 6.131 -15.595 332 HB3 LYS 42 3HB LYS 42 3.055 5.311 -16.999 333 HG2 LYS 42 2HG LYS 42 1.873 3.248 -16.379 334 HG3 LYS 42 3HG LYS 42 1.221 4.042 -14.945 335 HD2 LYS 42 2HD LYS 42 0.050 5.691 -16.439 336 HD3 LYS 42 3HD LYS 42 0.648 4.797 -17.843 337 HE2 LYS 42 2HE LYS 42 -0.585 2.788 -17.052 338 HE3 LYS 42 3HE LYS 42 -1.198 3.727 -15.693 339 HZ1 LYS 42 1HZ LYS 42 -2.366 5.161 -17.203 340 HZ2 LYS 42 2HZ LYS 42 -2.785 3.558 -17.539 341 HZ3 LYS 42 3HZ LYS 42 -1.702 4.376 -18.544 342 H ARG 43 H ARG 43 4.453 6.889 -13.857 343 HA ARG 43 HA ARG 43 6.512 7.998 -15.526 344 HB2 ARG 43 2HB ARG 43 5.834 8.846 -12.665 345 HB3 ARG 43 3HB ARG 43 6.687 9.790 -13.880 346 HG2 ARG 43 2HG ARG 43 4.638 9.959 -15.232 347 HG3 ARG 43 3HG ARG 43 3.771 8.969 -14.058 348 HD2 ARG 43 2HD ARG 43 4.310 10.748 -12.324 349 HD3 ARG 43 3HD ARG 43 4.906 11.752 -13.651 350 HE ARG 43 HE ARG 43 2.227 10.764 -14.047 351 HH11 ARG 43 1HH1 ARG 43 4.095 13.393 -12.626 352 HH12 ARG 43 2HH1 ARG 43 2.764 14.499 -12.645 353 HH21 ARG 43 1HH2 ARG 43 0.494 12.207 -14.002 354 HH22 ARG 43 2HH2 ARG 43 0.714 13.827 -13.424 355 H ARG 44 H ARG 44 6.546 5.529 -13.223 356 HA ARG 44 HA ARG 44 8.122 4.262 -12.200 357 HB2 ARG 44 2HB ARG 44 10.141 5.846 -13.852 358 HB3 ARG 44 3HB ARG 44 10.461 4.312 -13.052 359 HG2 ARG 44 2HG ARG 44 8.275 4.495 -15.132 360 HG3 ARG 44 3HG ARG 44 9.959 4.376 -15.636 361 HD2 ARG 44 2HD ARG 44 8.594 2.385 -13.809 362 HD3 ARG 44 3HD ARG 44 8.710 2.205 -15.562 363 HE ARG 44 HE ARG 44 11.162 2.491 -13.931 364 HH11 ARG 44 1HH1 ARG 44 9.193 0.511 -16.091 365 HH12 ARG 44 2HH1 ARG 44 10.449 -0.655 -16.361 366 HH21 ARG 44 1HH2 ARG 44 12.801 0.958 -14.307 367 HH22 ARG 44 2HH2 ARG 44 12.496 -0.397 -15.345 368 H ASN 45 H ASN 45 7.299 6.952 -11.186 369 HA ASN 45 HA ASN 45 9.587 8.315 -10.079 370 HB2 ASN 45 2HB ASN 45 7.432 9.401 -10.977 371 HB3 ASN 45 3HB ASN 45 6.635 8.863 -9.505 372 HD21 ASN 45 1HD2 ASN 45 8.934 11.060 -10.871 373 HD22 ASN 45 2HD2 ASN 45 9.079 12.087 -9.504 374 H ILE 46 H ILE 46 7.410 5.892 -9.019 375 HA ILE 46 HA ILE 46 7.588 6.542 -6.157 376 HB ILE 46 HB ILE 46 5.861 4.469 -7.583 377 HG12 ILE 46 2HG1 ILE 46 5.143 7.231 -6.482 378 HG13 ILE 46 3HG1 ILE 46 5.202 6.778 -8.180 379 HG21 ILE 46 1HG2 ILE 46 4.642 4.248 -5.448 380 HG22 ILE 46 2HG2 ILE 46 5.760 5.380 -4.682 381 HG23 ILE 46 3HG2 ILE 46 6.343 3.813 -5.249 382 HD11 ILE 46 1HD1 ILE 46 2.924 6.939 -7.373 383 HD12 ILE 46 2HD1 ILE 46 3.235 5.712 -6.146 384 HD13 ILE 46 3HD1 ILE 46 3.299 5.289 -7.860 385 H ASP 47 H ASP 47 8.925 5.497 -4.863 386 HA ASP 47 HA ASP 47 10.705 3.407 -5.882 387 HB2 ASP 47 2HB ASP 47 11.763 5.246 -4.742 388 HB3 ASP 47 3HB ASP 47 10.672 5.126 -3.371 389 H MET 48 H MET 48 8.316 3.918 -3.360 390 HA MET 48 HA MET 48 7.684 1.091 -3.253 391 HB2 MET 48 2HB MET 48 7.765 0.994 -0.757 392 HB3 MET 48 3HB MET 48 9.352 1.164 -1.486 393 HG2 MET 48 2HG MET 48 9.543 3.427 -0.786 394 HG3 MET 48 3HG MET 48 7.829 3.527 -0.387 395 HE1 MET 48 1HE MET 48 11.257 1.775 0.654 396 HE2 MET 48 2HE MET 48 10.133 0.416 0.570 397 HE3 MET 48 3HE MET 48 10.749 0.960 2.131 398 H ILE 49 H ILE 49 5.604 0.710 -2.476 399 HA ILE 49 HA ILE 49 3.848 3.012 -1.962 400 HB ILE 49 HB ILE 49 3.774 2.800 -4.380 401 HG12 ILE 49 2HG1 ILE 49 1.272 1.564 -3.137 402 HG13 ILE 49 3HG1 ILE 49 1.605 3.281 -3.340 403 HG21 ILE 49 1HG2 ILE 49 3.139 -0.141 -4.036 404 HG22 ILE 49 2HG2 ILE 49 4.665 0.531 -4.612 405 HG23 ILE 49 3HG2 ILE 49 3.195 0.733 -5.569 406 HD11 ILE 49 1HD1 ILE 49 1.159 1.288 -5.554 407 HD12 ILE 49 2HD1 ILE 49 1.524 3.001 -5.768 408 HD13 ILE 49 3HD1 ILE 49 0.025 2.510 -4.982 409 H ILE 50 H ILE 50 2.062 2.481 -0.732 410 HA ILE 50 HA ILE 50 1.743 -0.324 0.172 411 HB ILE 50 HB ILE 50 1.712 2.148 1.986 412 HG12 ILE 50 2HG1 ILE 50 3.872 -0.015 1.731 413 HG13 ILE 50 3HG1 ILE 50 4.027 1.663 1.240 414 HG21 ILE 50 1HG2 ILE 50 1.483 -0.801 2.678 415 HG22 ILE 50 2HG2 ILE 50 0.192 0.399 2.773 416 HG23 ILE 50 3HG2 ILE 50 1.587 0.515 3.848 417 HD11 ILE 50 1HD1 ILE 50 3.710 0.674 4.070 418 HD12 ILE 50 2HD1 ILE 50 3.846 2.364 3.572 419 HD13 ILE 50 3HD1 ILE 50 5.189 1.255 3.304 420 H VAL 51 H VAL 51 -0.286 -0.904 -0.425 421 HA VAL 51 HA VAL 51 -2.422 1.142 -0.623 422 HB VAL 51 HB VAL 51 -2.237 -1.490 -2.157 423 HG11 VAL 51 1HG1 VAL 51 -4.560 -0.747 -1.843 424 HG12 VAL 51 2HG1 VAL 51 -4.083 -0.602 -3.537 425 HG13 VAL 51 3HG1 VAL 51 -4.160 0.837 -2.517 426 HG21 VAL 51 1HG2 VAL 51 -0.450 0.018 -2.895 427 HG22 VAL 51 2HG2 VAL 51 -1.620 1.313 -3.147 428 HG23 VAL 51 3HG2 VAL 51 -1.684 -0.135 -4.147 429 H LYS 52 H LYS 52 -3.827 0.998 1.022 430 HA LYS 52 HA LYS 52 -4.740 -1.625 2.027 431 HB2 LYS 52 2HB LYS 52 -4.182 -0.169 3.865 432 HB3 LYS 52 3HB LYS 52 -5.012 1.196 3.131 433 HG2 LYS 52 2HG LYS 52 -6.311 0.375 5.022 434 HG3 LYS 52 3HG LYS 52 -7.203 0.092 3.530 435 HD2 LYS 52 2HD LYS 52 -6.432 -2.296 3.593 436 HD3 LYS 52 3HD LYS 52 -5.668 -1.978 5.155 437 HE2 LYS 52 2HE LYS 52 -7.875 -3.052 5.431 438 HE3 LYS 52 3HE LYS 52 -7.888 -1.426 6.120 439 HZ1 LYS 52 1HZ LYS 52 -8.946 -0.653 4.013 440 HZ2 LYS 52 2HZ LYS 52 -9.891 -1.766 4.864 441 HZ3 LYS 52 3HZ LYS 52 -9.038 -2.263 3.496 442 H THR 53 H THR 53 -6.285 -2.391 0.706 443 HA THR 53 HA THR 53 -8.858 -1.190 0.796 444 HB THR 53 HB THR 53 -8.014 0.097 -1.173 445 HG1 THR 53 HG1 THR 53 -10.199 -0.371 -1.164 446 HG21 THR 53 1HG2 THR 53 -6.397 -1.550 -2.093 447 HG22 THR 53 2HG2 THR 53 -7.540 -0.993 -3.319 448 HG23 THR 53 3HG2 THR 53 -7.745 -2.582 -2.578 449 H GLU 54 H GLU 54 -10.499 -2.648 0.079 450 HA GLU 54 HA GLU 54 -9.735 -5.490 -0.050 451 HB2 GLU 54 2HB GLU 54 -12.396 -4.068 0.400 452 HB3 GLU 54 3HB GLU 54 -12.297 -5.801 0.123 453 HG2 GLU 54 2HG GLU 54 -12.496 -5.306 2.512 454 HG3 GLU 54 3HG GLU 54 -10.948 -6.080 2.157 455 H ASP 55 H ASP 55 -10.346 -2.951 -2.174 456 HA ASP 55 HA ASP 55 -11.680 -4.339 -4.312 457 HB2 ASP 55 2HB ASP 55 -11.597 -1.783 -3.982 458 HB3 ASP 55 3HB ASP 55 -9.936 -1.835 -4.546 459 H LYS 56 H LYS 56 -10.601 -6.211 -4.670 460 HA LYS 56 HA LYS 56 -7.893 -6.785 -4.782 461 HB2 LYS 56 2HB LYS 56 -10.199 -8.073 -6.285 462 HB3 LYS 56 3HB LYS 56 -8.606 -8.801 -6.104 463 HG2 LYS 56 2HG LYS 56 -8.899 -9.069 -3.733 464 HG3 LYS 56 3HG LYS 56 -10.347 -8.064 -3.735 465 HD2 LYS 56 2HD LYS 56 -10.936 -10.433 -3.500 466 HD3 LYS 56 3HD LYS 56 -11.569 -9.781 -5.007 467 HE2 LYS 56 2HE LYS 56 -8.989 -11.378 -4.879 468 HE3 LYS 56 3HE LYS 56 -10.570 -12.125 -5.097 469 HZ1 LYS 56 1HZ LYS 56 -10.815 -10.564 -7.069 470 HZ2 LYS 56 2HZ LYS 56 -9.748 -11.858 -7.236 471 HZ3 LYS 56 3HZ LYS 56 -9.143 -10.310 -6.945 472 H GLU 57 H GLU 57 -9.956 -5.445 -7.307 473 HA GLU 57 HA GLU 57 -8.146 -5.948 -9.498 474 HB2 GLU 57 2HB GLU 57 -10.631 -4.199 -9.273 475 HB3 GLU 57 3HB GLU 57 -9.760 -4.483 -10.778 476 HG2 GLU 57 2HG GLU 57 -11.152 -6.594 -9.096 477 HG3 GLU 57 3HG GLU 57 -11.741 -5.923 -10.613 478 H SER 58 H SER 58 -8.783 -3.274 -7.284 479 HA SER 58 HA SER 58 -7.175 -1.261 -8.474 480 HB2 SER 58 2HB SER 58 -8.767 -0.769 -6.629 481 HB3 SER 58 3HB SER 58 -7.806 -1.739 -5.516 482 HG SER 58 HG SER 58 -6.098 -0.039 -6.461 483 H ILE 59 H ILE 59 -6.570 -3.630 -5.919 484 HA ILE 59 HA ILE 59 -3.889 -3.181 -5.321 485 HB ILE 59 HB ILE 59 -5.499 -5.782 -5.269 486 HG12 ILE 59 2HG1 ILE 59 -4.883 -3.874 -2.960 487 HG13 ILE 59 3HG1 ILE 59 -6.391 -3.871 -3.865 488 HG21 ILE 59 1HG2 ILE 59 -3.136 -6.351 -5.231 489 HG22 ILE 59 2HG2 ILE 59 -3.832 -6.621 -3.633 490 HG23 ILE 59 3HG2 ILE 59 -2.846 -5.194 -3.934 491 HD11 ILE 59 1HD1 ILE 59 -5.352 -6.144 -2.171 492 HD12 ILE 59 2HD1 ILE 59 -6.852 -6.155 -3.103 493 HD13 ILE 59 3HD1 ILE 59 -6.656 -5.026 -1.766 494 H SER 60 H SER 60 -5.333 -5.406 -7.669 495 HA SER 60 HA SER 60 -3.124 -6.762 -8.627 496 HB2 SER 60 2HB SER 60 -5.399 -7.478 -9.122 497 HB3 SER 60 3HB SER 60 -5.717 -5.995 -10.016 498 HG SER 60 HG SER 60 -4.106 -8.192 -10.727 499 H GLU 61 H GLU 61 -4.667 -3.840 -10.063 500 HA GLU 61 HA GLU 61 -2.877 -3.572 -12.221 501 HB2 GLU 61 2HB GLU 61 -4.646 -1.440 -10.948 502 HB3 GLU 61 3HB GLU 61 -3.821 -1.274 -12.498 503 HG2 GLU 61 2HG GLU 61 -6.065 -3.176 -11.800 504 HG3 GLU 61 3HG GLU 61 -6.107 -1.828 -12.934 505 H ILE 62 H ILE 62 -2.912 -1.973 -9.022 506 HA ILE 62 HA ILE 62 -0.748 -0.253 -9.311 507 HB ILE 62 HB ILE 62 -2.034 -1.575 -6.927 508 HG12 ILE 62 2HG1 ILE 62 -2.092 0.860 -6.104 509 HG13 ILE 62 3HG1 ILE 62 -1.380 1.325 -7.640 510 HG21 ILE 62 1HG2 ILE 62 -0.383 -0.642 -5.312 511 HG22 ILE 62 2HG2 ILE 62 0.682 -0.245 -6.653 512 HG23 ILE 62 3HG2 ILE 62 0.297 -1.931 -6.307 513 HD11 ILE 62 1HD1 ILE 62 -3.732 1.736 -7.659 514 HD12 ILE 62 2HD1 ILE 62 -4.074 0.065 -7.213 515 HD13 ILE 62 3HD1 ILE 62 -3.368 0.432 -8.790 516 H ILE 63 H ILE 63 -0.714 -3.652 -8.142 517 HA ILE 63 HA ILE 63 2.056 -3.803 -7.629 518 HB ILE 63 HB ILE 63 0.118 -6.079 -8.241 519 HG12 ILE 63 2HG1 ILE 63 1.060 -4.995 -5.542 520 HG13 ILE 63 3HG1 ILE 63 -0.525 -4.707 -6.253 521 HG21 ILE 63 1HG2 ILE 63 2.881 -6.206 -6.970 522 HG22 ILE 63 2HG2 ILE 63 2.433 -6.830 -8.560 523 HG23 ILE 63 3HG2 ILE 63 1.755 -7.559 -7.107 524 HD11 ILE 63 1HD1 ILE 63 -1.006 -7.099 -6.151 525 HD12 ILE 63 2HD1 ILE 63 -0.634 -6.421 -4.569 526 HD13 ILE 63 3HD1 ILE 63 0.575 -7.384 -5.415 527 H LYS 64 H LYS 64 0.127 -4.638 -10.519 528 HA LYS 64 HA LYS 64 2.047 -5.825 -12.149 529 HB2 LYS 64 2HB LYS 64 -0.327 -4.049 -12.835 530 HB3 LYS 64 3HB LYS 64 0.642 -4.843 -14.074 531 HG2 LYS 64 2HG LYS 64 -0.027 -7.027 -13.344 532 HG3 LYS 64 3HG LYS 64 -0.742 -6.389 -11.861 533 HD2 LYS 64 2HD LYS 64 -2.468 -7.003 -13.538 534 HD3 LYS 64 3HD LYS 64 -2.515 -5.288 -13.129 535 HE2 LYS 64 2HE LYS 64 -1.307 -4.766 -15.229 536 HE3 LYS 64 3HE LYS 64 -1.275 -6.485 -15.633 537 HZ1 LYS 64 1HZ LYS 64 -3.650 -6.510 -15.755 538 HZ2 LYS 64 2HZ LYS 64 -3.092 -5.237 -16.719 539 HZ3 LYS 64 3HZ LYS 64 -3.760 -4.917 -15.198 540 H GLN 65 H GLN 65 1.239 -2.352 -11.810 541 HA GLN 65 HA GLN 65 3.157 -1.333 -13.629 542 HB2 GLN 65 2HB GLN 65 2.132 0.091 -11.142 543 HB3 GLN 65 3HB GLN 65 2.792 0.835 -12.592 544 HG2 GLN 65 2HG GLN 65 0.152 -0.615 -12.338 545 HG3 GLN 65 3HG GLN 65 0.386 1.119 -12.513 546 HE21 GLN 65 1HE2 GLN 65 0.997 1.935 -14.530 547 HE22 GLN 65 2HE2 GLN 65 0.831 1.029 -15.991 548 H VAL 66 H VAL 66 3.310 -1.991 -10.152 549 HA VAL 66 HA VAL 66 5.849 -0.916 -9.532 550 HB VAL 66 HB VAL 66 4.228 -3.137 -8.196 551 HG11 VAL 66 1HG1 VAL 66 5.551 -2.733 -6.151 552 HG12 VAL 66 2HG1 VAL 66 6.593 -1.629 -7.045 553 HG13 VAL 66 3HG1 VAL 66 6.559 -3.339 -7.469 554 HG21 VAL 66 1HG2 VAL 66 3.482 -1.385 -6.636 555 HG22 VAL 66 2HG2 VAL 66 3.075 -0.958 -8.298 556 HG23 VAL 66 3HG2 VAL 66 4.447 -0.186 -7.506 557 H LEU 67 H LEU 67 4.852 -4.118 -10.697 558 HA LEU 67 HA LEU 67 7.318 -5.487 -10.313 559 HB2 LEU 67 2HB LEU 67 5.038 -6.128 -12.232 560 HB3 LEU 67 3HB LEU 67 6.359 -7.219 -11.837 561 HG LEU 67 HG LEU 67 4.163 -6.274 -9.965 562 HD11 LEU 67 1HD1 LEU 67 4.757 -9.035 -11.041 563 HD12 LEU 67 2HD1 LEU 67 3.407 -7.991 -11.490 564 HD13 LEU 67 3HD1 LEU 67 3.513 -8.632 -9.852 565 HD21 LEU 67 1HD2 LEU 67 5.159 -7.704 -8.234 566 HD22 LEU 67 2HD2 LEU 67 6.218 -6.373 -8.689 567 HD23 LEU 67 3HD2 LEU 67 6.549 -8.004 -9.281 568 H ASP 68 H ASP 68 6.006 -3.532 -12.900 569 HA ASP 68 HA ASP 68 8.181 -3.968 -14.757 570 HB2 ASP 68 2HB ASP 68 5.937 -3.370 -15.605 571 HB3 ASP 68 3HB ASP 68 5.954 -1.871 -14.682 572 H SER 69 H SER 69 7.334 -1.572 -12.259 573 HA SER 69 HA SER 69 9.245 0.388 -13.186 574 HB2 SER 69 2HB SER 69 7.437 0.394 -10.748 575 HB3 SER 69 3HB SER 69 8.416 1.755 -11.279 576 HG SER 69 HG SER 69 6.500 0.497 -12.940 577 H GLY 70 H GLY 70 9.458 -2.310 -11.119 578 HA2 GLY 70 2HA GLY 70 11.178 -3.145 -9.855 579 HA3 GLY 70 3HA GLY 70 12.193 -1.843 -10.464 580 H ALA 71 H ALA 71 9.285 -2.061 -8.446 581 HA ALA 71 HA ALA 71 10.523 -0.334 -6.366 582 HB1 ALA 71 1HB ALA 71 7.657 -0.206 -7.411 583 HB2 ALA 71 2HB ALA 71 8.925 0.984 -7.715 584 HB3 ALA 71 3HB ALA 71 8.310 0.753 -6.077 585 H LYS 72 H LYS 72 9.212 -0.500 -4.262 586 HA LYS 72 HA LYS 72 8.540 -3.312 -3.663 587 HB2 LYS 72 2HB LYS 72 9.141 -0.950 -1.818 588 HB3 LYS 72 3HB LYS 72 8.533 -2.488 -1.232 589 HG2 LYS 72 2HG LYS 72 10.876 -2.492 -0.845 590 HG3 LYS 72 3HG LYS 72 10.581 -3.590 -2.188 591 HD2 LYS 72 2HD LYS 72 12.557 -2.264 -2.690 592 HD3 LYS 72 3HD LYS 72 11.256 -1.748 -3.770 593 HE2 LYS 72 2HE LYS 72 10.819 0.194 -2.264 594 HE3 LYS 72 3HE LYS 72 12.161 -0.324 -1.238 595 HZ1 LYS 72 1HZ LYS 72 12.842 1.409 -2.765 596 HZ2 LYS 72 2HZ LYS 72 12.380 0.468 -4.091 597 HZ3 LYS 72 3HZ LYS 72 13.656 -0.032 -3.103 598 H VAL 73 H VAL 73 6.530 -3.846 -2.695 599 HA VAL 73 HA VAL 73 4.468 -1.766 -2.466 600 HB VAL 73 HB VAL 73 4.186 -2.525 -4.753 601 HG11 VAL 73 1HG1 VAL 73 3.664 -4.847 -5.386 602 HG12 VAL 73 2HG1 VAL 73 3.952 -5.364 -3.724 603 HG13 VAL 73 3HG1 VAL 73 5.277 -4.698 -4.679 604 HG21 VAL 73 1HG2 VAL 73 2.144 -1.976 -3.506 605 HG22 VAL 73 2HG2 VAL 73 1.966 -3.660 -3.009 606 HG23 VAL 73 3HG2 VAL 73 1.820 -3.223 -4.714 607 H LEU 74 H LEU 74 3.208 -2.048 -0.751 608 HA LEU 74 HA LEU 74 3.102 -4.633 0.681 609 HB2 LEU 74 2HB LEU 74 4.376 -2.990 1.980 610 HB3 LEU 74 3HB LEU 74 3.098 -1.805 1.804 611 HG LEU 74 HG LEU 74 1.600 -3.163 3.229 612 HD11 LEU 74 1HD1 LEU 74 2.381 -5.399 2.706 613 HD12 LEU 74 2HD1 LEU 74 2.377 -5.127 4.446 614 HD13 LEU 74 3HD1 LEU 74 3.902 -5.098 3.554 615 HD21 LEU 74 1HD2 LEU 74 4.275 -2.661 4.563 616 HD22 LEU 74 2HD2 LEU 74 2.714 -2.824 5.373 617 HD23 LEU 74 3HD2 LEU 74 3.005 -1.467 4.291 618 H ILE 75 H ILE 75 1.103 -5.463 0.531 619 HA ILE 75 HA ILE 75 -1.216 -3.693 0.116 620 HB ILE 75 HB ILE 75 -0.882 -6.652 -0.527 621 HG12 ILE 75 2HG1 ILE 75 0.343 -5.263 -2.108 622 HG13 ILE 75 3HG1 ILE 75 -1.090 -5.886 -2.908 623 HG21 ILE 75 1HG2 ILE 75 -3.203 -6.230 0.148 624 HG22 ILE 75 2HG2 ILE 75 -3.119 -6.524 -1.590 625 HG23 ILE 75 3HG2 ILE 75 -3.311 -4.878 -0.986 626 HD11 ILE 75 1HD1 ILE 75 -0.707 -3.090 -1.850 627 HD12 ILE 75 2HD1 ILE 75 -2.170 -3.696 -2.637 628 HD13 ILE 75 3HD1 ILE 75 -0.653 -3.609 -3.534 629 H LEU 76 H LEU 76 -2.537 -3.455 1.685 630 HA LEU 76 HA LEU 76 -2.671 -5.321 3.968 631 HB2 LEU 76 2HB LEU 76 -3.100 -2.291 3.943 632 HB3 LEU 76 3HB LEU 76 -3.112 -3.329 5.365 633 HG LEU 76 HG LEU 76 -0.663 -2.875 3.601 634 HD11 LEU 76 1HD1 LEU 76 -1.253 -0.797 4.746 635 HD12 LEU 76 2HD1 LEU 76 0.256 -1.474 5.353 636 HD13 LEU 76 3HD1 LEU 76 -1.227 -1.634 6.301 637 HD21 LEU 76 1HD2 LEU 76 0.591 -3.947 5.416 638 HD22 LEU 76 2HD2 LEU 76 -0.613 -5.031 4.726 639 HD23 LEU 76 3HD2 LEU 76 -0.915 -4.258 6.285 640 H SER 77 H SER 77 -4.690 -6.090 4.412 641 HA SER 77 HA SER 77 -7.122 -4.756 3.605 642 HB2 SER 77 2HB SER 77 -6.547 -5.939 1.477 643 HB3 SER 77 3HB SER 77 -6.434 -7.466 2.352 644 HG SER 77 HG SER 77 -8.732 -5.874 1.887 645 H SER 78 H SER 78 -8.971 -5.730 4.544 646 HA SER 78 HA SER 78 -8.381 -7.083 7.087 647 HB2 SER 78 2HB SER 78 -10.716 -6.209 7.651 648 HB3 SER 78 3HB SER 78 -9.506 -4.968 7.326 649 HG SER 78 HG SER 78 -10.445 -4.520 5.417 650 H ASP 79 H ASP 79 -9.012 -8.206 4.151 651 HA ASP 79 HA ASP 79 -10.938 -10.280 5.063 652 HB2 ASP 79 2HB ASP 79 -11.853 -8.814 3.253 653 HB3 ASP 79 3HB ASP 79 -10.525 -9.291 2.203 654 H GLU 80 H GLU 80 -10.222 -12.273 5.135 655 HA GLU 80 HA GLU 80 -7.617 -13.127 4.881 656 HB2 GLU 80 2HB GLU 80 -9.901 -15.089 4.467 657 HB3 GLU 80 3HB GLU 80 -8.373 -15.340 5.302 658 HG2 GLU 80 2HG GLU 80 -10.762 -13.768 6.291 659 HG3 GLU 80 3HG GLU 80 -10.212 -15.332 6.880 660 H ASN 81 H ASN 81 -10.273 -13.586 2.516 661 HA ASN 81 HA ASN 81 -8.933 -15.403 0.805 662 HB2 ASN 81 2HB ASN 81 -11.231 -13.544 0.035 663 HB3 ASN 81 3HB ASN 81 -10.780 -15.045 -0.768 664 HD21 ASN 81 1HD2 ASN 81 -12.374 -13.626 1.976 665 HD22 ASN 81 2HD2 ASN 81 -13.128 -15.073 2.551 666 H ILE 82 H ILE 82 -9.223 -11.906 0.881 667 HA ILE 82 HA ILE 82 -8.184 -11.346 -1.708 668 HB ILE 82 HB ILE 82 -8.464 -9.561 0.755 669 HG12 ILE 82 2HG1 ILE 82 -10.208 -9.882 -1.729 670 HG13 ILE 82 3HG1 ILE 82 -10.592 -10.481 -0.123 671 HG21 ILE 82 1HG2 ILE 82 -7.850 -8.719 -2.108 672 HG22 ILE 82 2HG2 ILE 82 -6.750 -8.597 -0.735 673 HG23 ILE 82 3HG2 ILE 82 -8.218 -7.619 -0.776 674 HD11 ILE 82 1HD1 ILE 82 -11.853 -8.511 -0.622 675 HD12 ILE 82 2HD1 ILE 82 -10.381 -7.599 -0.948 676 HD13 ILE 82 3HD1 ILE 82 -10.720 -8.178 0.684 677 H ILE 83 H ILE 83 -6.699 -11.021 1.597 678 HA ILE 83 HA ILE 83 -4.114 -10.301 0.827 679 HB ILE 83 HB ILE 83 -5.023 -11.964 3.223 680 HG12 ILE 83 2HG1 ILE 83 -5.844 -9.589 3.075 681 HG13 ILE 83 3HG1 ILE 83 -4.840 -9.872 4.489 682 HG21 ILE 83 1HG2 ILE 83 -2.244 -10.788 2.784 683 HG22 ILE 83 2HG2 ILE 83 -2.655 -12.502 2.863 684 HG23 ILE 83 3HG2 ILE 83 -2.825 -11.489 4.296 685 HD11 ILE 83 1HD1 ILE 83 -4.351 -7.726 3.486 686 HD12 ILE 83 2HD1 ILE 83 -3.978 -8.487 1.941 687 HD13 ILE 83 3HD1 ILE 83 -2.944 -8.780 3.345 688 H GLU 84 H GLU 84 -5.438 -13.577 1.269 689 HA GLU 84 HA GLU 84 -3.178 -15.105 0.695 690 HB2 GLU 84 2HB GLU 84 -5.239 -16.029 1.694 691 HB3 GLU 84 3HB GLU 84 -6.108 -15.753 0.191 692 HG2 GLU 84 2HG GLU 84 -5.557 -18.111 0.385 693 HG3 GLU 84 3HG GLU 84 -4.656 -17.405 -0.953 694 H SER 85 H SER 85 -5.787 -14.013 -1.530 695 HA SER 85 HA SER 85 -4.931 -15.203 -3.897 696 HB2 SER 85 2HB SER 85 -6.455 -12.602 -3.471 697 HB3 SER 85 3HB SER 85 -6.223 -13.345 -5.054 698 HG SER 85 HG SER 85 -7.437 -14.652 -2.848 699 H ILE 86 H ILE 86 -4.079 -12.068 -2.504 700 HA ILE 86 HA ILE 86 -2.576 -11.088 -4.702 701 HB ILE 86 HB ILE 86 -2.490 -10.215 -1.776 702 HG12 ILE 86 2HG1 ILE 86 -4.760 -9.951 -2.496 703 HG13 ILE 86 3HG1 ILE 86 -4.062 -8.350 -2.621 704 HG21 ILE 86 1HG2 ILE 86 -0.533 -9.365 -2.975 705 HG22 ILE 86 2HG2 ILE 86 -1.644 -8.044 -2.616 706 HG23 ILE 86 3HG2 ILE 86 -1.565 -8.710 -4.247 707 HD11 ILE 86 1HD1 ILE 86 -4.651 -10.256 -4.894 708 HD12 ILE 86 2HD1 ILE 86 -3.840 -8.698 -5.080 709 HD13 ILE 86 3HD1 ILE 86 -5.501 -8.765 -4.493 710 H ARG 87 H ARG 87 -1.672 -12.973 -1.817 711 HA ARG 87 HA ARG 87 1.160 -12.805 -2.127 712 HB2 ARG 87 2HB ARG 87 -0.399 -15.124 -0.890 713 HB3 ARG 87 3HB ARG 87 1.310 -14.764 -0.649 714 HG2 ARG 87 2HG ARG 87 0.579 -12.571 0.410 715 HG3 ARG 87 3HG ARG 87 -1.072 -13.190 0.352 716 HD2 ARG 87 2HD ARG 87 1.271 -14.347 1.887 717 HD3 ARG 87 3HD ARG 87 -0.168 -13.579 2.558 718 HE ARG 87 HE ARG 87 -1.026 -15.786 1.065 719 HH11 ARG 87 1HH1 ARG 87 0.895 -15.194 3.989 720 HH12 ARG 87 2HH1 ARG 87 0.488 -16.721 4.696 721 HH21 ARG 87 1HH2 ARG 87 -1.457 -17.814 1.990 722 HH22 ARG 87 2HH2 ARG 87 -0.845 -18.212 3.563 723 H LYS 88 H LYS 88 -1.178 -15.350 -3.122 724 HA LYS 88 HA LYS 88 0.881 -17.040 -4.193 725 HB2 LYS 88 2HB LYS 88 -0.961 -18.551 -4.861 726 HB3 LYS 88 3HB LYS 88 -1.083 -18.045 -3.181 727 HG2 LYS 88 2HG LYS 88 -2.819 -16.365 -3.858 728 HG3 LYS 88 3HG LYS 88 -2.755 -17.017 -5.502 729 HD2 LYS 88 2HD LYS 88 -3.510 -19.223 -4.682 730 HD3 LYS 88 3HD LYS 88 -3.493 -18.636 -3.016 731 HE2 LYS 88 2HE LYS 88 -5.281 -17.030 -3.564 732 HE3 LYS 88 3HE LYS 88 -5.292 -17.603 -5.236 733 HZ1 LYS 88 1HZ LYS 88 -7.049 -18.608 -3.914 734 HZ2 LYS 88 2HZ LYS 88 -5.912 -19.250 -2.847 735 HZ3 LYS 88 3HZ LYS 88 -5.955 -19.777 -4.452 736 H GLN 89 H GLN 89 -1.201 -14.594 -5.616 737 HA GLN 89 HA GLN 89 -0.556 -15.257 -8.358 738 HB2 GLN 89 2HB GLN 89 -1.796 -12.767 -7.101 739 HB3 GLN 89 3HB GLN 89 -1.602 -12.988 -8.839 740 HG2 GLN 89 2HG GLN 89 -3.160 -14.822 -8.866 741 HG3 GLN 89 3HG GLN 89 -3.187 -14.897 -7.104 742 HE21 GLN 89 1HE2 GLN 89 -5.440 -14.693 -7.067 743 HE22 GLN 89 2HE2 GLN 89 -6.225 -13.186 -7.381 744 H TYR 90 H TYR 90 0.650 -12.948 -5.916 745 HA TYR 90 HA TYR 90 2.789 -12.079 -7.799 746 HB2 TYR 90 2HB TYR 90 1.470 -10.406 -5.619 747 HB3 TYR 90 3HB TYR 90 2.692 -9.855 -6.762 748 HD1 TYR 90 HD1 TYR 90 2.073 -9.798 -9.268 749 HD2 TYR 90 HD2 TYR 90 -0.866 -10.281 -6.195 750 HE1 TYR 90 HE1 TYR 90 0.316 -9.120 -10.843 751 HE2 TYR 90 HE2 TYR 90 -2.628 -9.612 -7.776 752 HH TYR 90 HH TYR 90 -2.125 -9.422 -11.119 753 HA PRO 91 HA PRO 91 5.243 -13.858 -4.329 754 HB2 PRO 91 2HB PRO 91 7.596 -14.143 -5.707 755 HB3 PRO 91 3HB PRO 91 6.229 -15.258 -5.925 756 HG2 PRO 91 2HG PRO 91 7.011 -12.906 -7.636 757 HG3 PRO 91 3HG PRO 91 6.577 -14.560 -8.135 758 HD2 PRO 91 2HD PRO 91 4.771 -12.538 -8.220 759 HD3 PRO 91 3HD PRO 91 4.294 -14.204 -7.841 760 H LYS 92 H LYS 92 6.052 -11.044 -6.339 761 HA LYS 92 HA LYS 92 8.207 -10.116 -4.684 762 HB2 LYS 92 2HB LYS 92 6.684 -8.572 -6.816 763 HB3 LYS 92 3HB LYS 92 8.277 -8.181 -6.175 764 HG2 LYS 92 2HG LYS 92 7.526 -10.542 -7.921 765 HG3 LYS 92 3HG LYS 92 8.525 -9.155 -8.364 766 HD2 LYS 92 2HD LYS 92 10.225 -9.909 -6.660 767 HD3 LYS 92 3HD LYS 92 9.232 -11.340 -6.361 768 HE2 LYS 92 2HE LYS 92 9.483 -11.937 -8.792 769 HE3 LYS 92 3HE LYS 92 10.611 -10.587 -8.957 770 HZ1 LYS 92 1HZ LYS 92 11.843 -12.578 -8.614 771 HZ2 LYS 92 2HZ LYS 92 10.935 -12.994 -7.251 772 HZ3 LYS 92 3HZ LYS 92 11.972 -11.660 -7.200 773 H VAL 93 H VAL 93 4.801 -9.800 -4.361 774 HA VAL 93 HA VAL 93 4.843 -7.181 -3.132 775 HB VAL 93 HB VAL 93 2.858 -7.985 -4.441 776 HG11 VAL 93 1HG1 VAL 93 1.223 -9.532 -3.467 777 HG12 VAL 93 2HG1 VAL 93 2.286 -9.826 -2.089 778 HG13 VAL 93 3HG1 VAL 93 2.772 -10.337 -3.703 779 HG21 VAL 93 1HG2 VAL 93 1.146 -7.074 -2.924 780 HG22 VAL 93 2HG2 VAL 93 2.632 -6.126 -2.857 781 HG23 VAL 93 3HG2 VAL 93 2.252 -7.258 -1.559 782 H GLU 94 H GLU 94 5.075 -6.766 -0.973 783 HA GLU 94 HA GLU 94 4.980 -8.876 1.040 784 HB2 GLU 94 2HB GLU 94 5.190 -5.837 1.304 785 HB3 GLU 94 3HB GLU 94 5.315 -6.976 2.644 786 HG2 GLU 94 2HG GLU 94 7.223 -6.705 0.307 787 HG3 GLU 94 3HG GLU 94 7.517 -6.213 1.975 788 H THR 95 H THR 95 3.052 -9.446 2.026 789 HA THR 95 HA THR 95 0.851 -7.449 2.061 790 HB THR 95 HB THR 95 -0.804 -9.281 2.060 791 HG1 THR 95 HG1 THR 95 1.268 -11.113 1.474 792 HG21 THR 95 1HG2 THR 95 1.103 -9.593 -0.289 793 HG22 THR 95 2HG2 THR 95 -0.187 -8.392 -0.168 794 HG23 THR 95 3HG2 THR 95 -0.582 -10.112 -0.252 795 H ARG 96 H ARG 96 -0.356 -7.367 3.947 796 HA ARG 96 HA ARG 96 0.110 -9.236 6.124 797 HB2 ARG 96 2HB ARG 96 1.784 -7.577 6.712 798 HB3 ARG 96 3HB ARG 96 0.681 -6.247 6.392 799 HG2 ARG 96 2HG ARG 96 -0.671 -6.861 8.352 800 HG3 ARG 96 3HG ARG 96 0.370 -8.255 8.653 801 HD2 ARG 96 2HD ARG 96 2.236 -6.837 9.201 802 HD3 ARG 96 3HD ARG 96 1.384 -5.400 8.637 803 HE ARG 96 HE ARG 96 -0.061 -6.642 10.740 804 HH11 ARG 96 1HH1 ARG 96 2.841 -4.723 10.213 805 HH12 ARG 96 2HH1 ARG 96 2.817 -4.026 11.801 806 HH21 ARG 96 1HH2 ARG 96 -0.064 -5.699 12.841 807 HH22 ARG 96 2HH2 ARG 96 1.188 -4.575 13.272 808 H ARG 97 H ARG 97 -1.862 -9.805 6.745 809 HA ARG 97 HA ARG 97 -4.241 -8.431 6.052 810 HB2 ARG 97 2HB ARG 97 -4.176 -10.878 6.517 811 HB3 ARG 97 3HB ARG 97 -3.799 -10.543 8.208 812 HG2 ARG 97 2HG ARG 97 -6.009 -9.273 8.328 813 HG3 ARG 97 3HG ARG 97 -6.385 -9.933 6.732 814 HD2 ARG 97 2HD ARG 97 -7.407 -11.259 8.512 815 HD3 ARG 97 3HD ARG 97 -6.214 -12.216 7.630 816 HE ARG 97 HE ARG 97 -4.777 -11.245 9.703 817 HH11 ARG 97 1HH1 ARG 97 -7.858 -12.956 9.634 818 HH12 ARG 97 2HH1 ARG 97 -7.615 -13.677 11.196 819 HH21 ARG 97 1HH2 ARG 97 -4.465 -12.189 11.709 820 HH22 ARG 97 2HH2 ARG 97 -5.674 -13.237 12.377 821 H ALA 98 H ALA 98 -5.177 -6.742 7.060 822 HA ALA 98 HA ALA 98 -4.552 -6.049 9.839 823 HB1 ALA 98 1HB ALA 98 -2.889 -4.836 8.487 824 HB2 ALA 98 2HB ALA 98 -4.042 -3.711 9.206 825 HB3 ALA 98 3HB ALA 98 -4.171 -4.137 7.494 826 H GLN 99 H GLN 99 -6.547 -6.321 10.545 827 HA GLN 99 HA GLN 99 -8.923 -5.242 9.234 828 HB2 GLN 99 2HB GLN 99 -8.651 -6.727 11.891 829 HB3 GLN 99 3HB GLN 99 -10.165 -6.329 11.083 830 HG2 GLN 99 2HG GLN 99 -9.570 -7.815 9.207 831 HG3 GLN 99 3HG GLN 99 -8.041 -8.210 9.994 832 HE21 GLN 99 1HE2 GLN 99 -8.083 -9.520 11.900 833 HE22 GLN 99 2HE2 GLN 99 -9.460 -10.486 12.293 834 H ASP 100 H ASP 100 -6.636 -4.400 11.645 835 HA ASP 100 HA ASP 100 -8.254 -2.115 12.575 836 HB2 ASP 100 2HB ASP 100 -5.800 -3.453 13.799 837 HB3 ASP 100 3HB ASP 100 -6.481 -1.940 14.400 838 H LYS 101 H LYS 101 -7.683 -0.136 12.057 839 HA LYS 101 HA LYS 101 -5.731 0.639 10.185 840 HB2 LYS 101 2HB LYS 101 -6.304 2.981 11.026 841 HB3 LYS 101 3HB LYS 101 -7.653 1.997 10.469 842 HG2 LYS 101 2HG LYS 101 -8.116 1.416 12.910 843 HG3 LYS 101 3HG LYS 101 -6.926 2.652 13.347 844 HD2 LYS 101 2HD LYS 101 -8.268 4.363 12.146 845 HD3 LYS 101 3HD LYS 101 -9.447 3.129 11.698 846 HE2 LYS 101 2HE LYS 101 -10.011 2.797 14.070 847 HE3 LYS 101 3HE LYS 101 -8.803 3.998 14.535 848 HZ1 LYS 101 1HZ LYS 101 -11.235 4.503 12.906 849 HZ2 LYS 101 2HZ LYS 101 -10.053 5.655 13.266 850 HZ3 LYS 101 3HZ LYS 101 -10.980 4.987 14.506 851 H GLU 102 H GLU 102 -5.514 0.089 13.562 852 HA GLU 102 HA GLU 102 -3.115 1.432 14.245 853 HB2 GLU 102 2HB GLU 102 -4.071 -1.222 15.424 854 HB3 GLU 102 3HB GLU 102 -3.091 0.021 16.213 855 HG2 GLU 102 2HG GLU 102 -5.064 1.562 16.025 856 HG3 GLU 102 3HG GLU 102 -6.016 0.213 15.444 857 H GLU 103 H GLU 103 -3.853 -1.814 13.148 858 HA GLU 103 HA GLU 103 -1.192 -2.808 12.933 859 HB2 GLU 103 2HB GLU 103 -3.768 -3.807 11.647 860 HB3 GLU 103 3HB GLU 103 -2.251 -4.705 11.690 861 HG2 GLU 103 2HG GLU 103 -3.801 -3.831 14.146 862 HG3 GLU 103 3HG GLU 103 -3.900 -5.429 13.414 863 H VAL 104 H VAL 104 -3.300 -1.117 10.659 864 HA VAL 104 HA VAL 104 -1.820 -1.614 8.286 865 HB VAL 104 HB VAL 104 -3.670 0.717 8.974 866 HG11 VAL 104 1HG1 VAL 104 -2.180 1.389 7.150 867 HG12 VAL 104 2HG1 VAL 104 -3.803 1.129 6.528 868 HG13 VAL 104 3HG1 VAL 104 -2.564 -0.082 6.260 869 HG21 VAL 104 1HG2 VAL 104 -4.829 -1.449 9.001 870 HG22 VAL 104 2HG2 VAL 104 -4.215 -1.825 7.390 871 HG23 VAL 104 3HG2 VAL 104 -5.352 -0.495 7.612 872 H LYS 105 H LYS 105 -1.860 1.253 10.483 873 HA LYS 105 HA LYS 105 0.275 2.596 9.197 874 HB2 LYS 105 2HB LYS 105 0.346 4.095 11.119 875 HB3 LYS 105 3HB LYS 105 -1.317 3.800 10.637 876 HG2 LYS 105 2HG LYS 105 -1.579 2.202 12.504 877 HG3 LYS 105 3HG LYS 105 0.092 2.508 12.995 878 HD2 LYS 105 2HD LYS 105 -0.456 4.869 13.431 879 HD3 LYS 105 3HD LYS 105 -2.112 4.608 12.890 880 HE2 LYS 105 2HE LYS 105 -2.444 3.011 14.764 881 HE3 LYS 105 3HE LYS 105 -0.801 3.350 15.321 882 HZ1 LYS 105 1HZ LYS 105 -3.010 5.320 15.100 883 HZ2 LYS 105 2HZ LYS 105 -1.438 5.672 15.602 884 HZ3 LYS 105 3HZ LYS 105 -2.415 4.654 16.537 885 H ASP 106 H ASP 106 0.221 0.272 11.876 886 HA ASP 106 HA ASP 106 2.909 0.325 12.637 887 HB2 ASP 106 2HB ASP 106 1.015 -0.860 13.828 888 HB3 ASP 106 3HB ASP 106 1.049 -2.102 12.582 889 H ALA 107 H ALA 107 1.255 -1.490 10.056 890 HA ALA 107 HA ALA 107 3.423 -3.080 9.186 891 HB1 ALA 107 1HB ALA 107 2.086 -3.438 7.156 892 HB2 ALA 107 2HB ALA 107 1.014 -2.108 7.611 893 HB3 ALA 107 3HB ALA 107 1.085 -3.568 8.600 894 H VAL 108 H VAL 108 2.272 0.130 8.262 895 HA VAL 108 HA VAL 108 3.976 0.685 6.084 896 HB VAL 108 HB VAL 108 2.651 2.590 8.084 897 HG11 VAL 108 1HG1 VAL 108 2.975 4.385 6.411 898 HG12 VAL 108 2HG1 VAL 108 3.897 3.274 5.396 899 HG13 VAL 108 3HG1 VAL 108 4.523 3.746 6.976 900 HG21 VAL 108 1HG2 VAL 108 1.769 1.761 5.289 901 HG22 VAL 108 2HG2 VAL 108 0.924 2.901 6.344 902 HG23 VAL 108 3HG2 VAL 108 1.053 1.200 6.798 903 H GLU 109 H GLU 109 4.295 1.489 9.556 904 HA GLU 109 HA GLU 109 6.778 2.811 9.450 905 HB2 GLU 109 2HB GLU 109 5.271 3.021 11.365 906 HB3 GLU 109 3HB GLU 109 5.445 1.307 11.742 907 HG2 GLU 109 2HG GLU 109 7.825 1.661 12.282 908 HG3 GLU 109 3HG GLU 109 7.672 3.368 11.864 909 H GLU 110 H GLU 110 5.986 -0.584 10.153 910 HA GLU 110 HA GLU 110 8.635 -1.469 10.678 911 HB2 GLU 110 2HB GLU 110 6.136 -3.046 9.920 912 HB3 GLU 110 3HB GLU 110 7.644 -3.779 10.447 913 HG2 GLU 110 2HG GLU 110 5.860 -1.970 12.101 914 HG3 GLU 110 3HG GLU 110 6.040 -3.711 12.281 915 H PHE 111 H PHE 111 6.790 -1.109 7.724 916 HA PHE 111 HA PHE 111 8.418 -2.649 5.938 917 HB2 PHE 111 2HB PHE 111 6.013 -1.843 5.562 918 HB3 PHE 111 3HB PHE 111 6.650 -0.233 5.306 919 HD1 PHE 111 HD1 PHE 111 6.574 -3.694 3.918 920 HD2 PHE 111 HD2 PHE 111 7.473 0.411 3.106 921 HE1 PHE 111 HE1 PHE 111 6.706 -4.193 1.522 922 HE2 PHE 111 HE2 PHE 111 7.612 -0.115 0.705 923 HZ PHE 111 HZ PHE 111 7.216 -2.409 -0.082 924 H LEU 112 H LEU 112 8.365 0.685 7.088 925 HA LEU 112 HA LEU 112 10.428 1.660 5.325 926 HB2 LEU 112 2HB LEU 112 9.045 2.940 7.712 927 HB3 LEU 112 3HB LEU 112 10.173 3.784 6.655 928 HG LEU 112 HG LEU 112 7.500 2.597 5.788 929 HD11 LEU 112 1HD1 LEU 112 7.170 4.583 7.153 930 HD12 LEU 112 2HD1 LEU 112 6.755 4.905 5.471 931 HD13 LEU 112 3HD1 LEU 112 8.280 5.502 6.133 932 HD21 LEU 112 1HD2 LEU 112 9.525 4.176 4.185 933 HD22 LEU 112 2HD2 LEU 112 7.912 3.707 3.639 934 HD23 LEU 112 3HD2 LEU 112 9.113 2.468 3.985 935 H LYS 113 H LYS 113 10.396 0.453 8.681 936 HA LYS 113 HA LYS 113 12.991 1.334 9.439 937 HB2 LYS 113 2HB LYS 113 11.298 -1.010 10.396 938 HB3 LYS 113 3HB LYS 113 12.838 -0.575 11.137 939 HG2 LYS 113 2HG LYS 113 11.923 1.650 11.725 940 HG3 LYS 113 3HG LYS 113 10.372 1.198 11.004 941 HD2 LYS 113 2HD LYS 113 10.095 -0.602 12.648 942 HD3 LYS 113 3HD LYS 113 11.690 -0.267 13.327 943 HE2 LYS 113 2HE LYS 113 10.925 1.926 14.097 944 HE3 LYS 113 3HE LYS 113 9.349 1.658 13.350 945 HZ1 LYS 113 1HZ LYS 113 10.521 0.089 15.573 946 HZ2 LYS 113 2HZ LYS 113 9.045 -0.250 14.821 947 HZ3 LYS 113 3HZ LYS 113 9.244 1.189 15.683 948 H GLU 114 H GLU 114 11.810 -1.532 7.771 949 HA GLU 114 HA GLU 114 14.415 -2.779 7.493 950 HB2 GLU 114 2HB GLU 114 11.817 -3.391 6.030 951 HB3 GLU 114 3HB GLU 114 13.214 -4.452 6.187 952 HG2 GLU 114 2HG GLU 114 11.562 -3.530 8.557 953 HG3 GLU 114 3HG GLU 114 11.190 -4.982 7.637 954 H GLY 115 H GLY 115 12.486 -0.447 5.812 955 HA2 GLY 115 2HA GLY 115 12.799 0.867 3.977 956 HA3 GLY 115 3HA GLY 115 14.484 0.372 3.994 957 H GLY 116 H GLY 116 11.679 -1.723 3.636 958 HA2 GLY 116 2HA GLY 116 11.497 -2.106 0.905 959 HA3 GLY 116 3HA GLY 116 12.821 -3.151 1.435 960 H SER 117 H SER 117 12.147 -5.192 1.815 961 HA SER 117 HA SER 117 9.500 -6.069 2.079 962 HB2 SER 117 2HB SER 117 11.238 -7.596 1.371 963 HB3 SER 117 3HB SER 117 12.141 -7.361 2.865 964 HG SER 117 HG SER 117 9.831 -8.874 2.381 965 H LEU 118 H LEU 118 8.401 -7.092 3.979 966 HA LEU 118 HA LEU 118 8.557 -5.570 6.407 967 HB2 LEU 118 2HB LEU 118 7.135 -8.193 5.824 968 HB3 LEU 118 3HB LEU 118 6.932 -7.275 7.308 969 HG LEU 118 HG LEU 118 6.128 -6.339 4.521 970 HD11 LEU 118 1HD1 LEU 118 3.813 -6.591 5.330 971 HD12 LEU 118 2HD1 LEU 118 4.408 -7.273 6.845 972 HD13 LEU 118 3HD1 LEU 118 4.680 -8.126 5.323 973 HD21 LEU 118 1HD2 LEU 118 6.794 -4.427 5.875 974 HD22 LEU 118 2HD2 LEU 118 5.763 -4.958 7.205 975 HD23 LEU 118 3HD2 LEU 118 5.043 -4.439 5.679 976 H GLU 119 H GLU 119 10.089 -8.484 5.304 977 HA GLU 119 HA GLU 119 11.468 -8.838 7.894 978 HB2 GLU 119 2HB GLU 119 11.159 -11.285 7.783 979 HB3 GLU 119 3HB GLU 119 9.610 -10.455 7.878 980 HG2 GLU 119 2HG GLU 119 9.313 -10.760 5.419 981 HG3 GLU 119 3HG GLU 119 10.839 -11.638 5.360 982 H HIS 120 H HIS 120 13.566 -9.482 7.733 983 HA HIS 120 HA HIS 120 14.560 -10.713 5.243 984 HB2 HIS 120 2HB HIS 120 16.826 -9.599 5.706 985 HB3 HIS 120 3HB HIS 120 15.551 -8.565 5.079 986 HD1 HIS 120 HD1 HIS 120 17.569 -9.216 8.168 987 HD2 HIS 120 HD2 HIS 120 14.793 -6.472 6.768 988 HE1 HIS 120 HE1 HIS 120 17.602 -7.325 9.809 989 HE2 HIS 120 HE2 HIS 120 15.748 -5.805 9.057 990 H HIS 121 H HIS 121 13.906 -11.014 8.418 991 HA HIS 121 HA HIS 121 15.014 -13.686 8.479 992 HB2 HIS 121 2HB HIS 121 15.715 -11.614 10.630 993 HB3 HIS 121 3HB HIS 121 15.737 -13.342 10.959 994 HD1 HIS 121 HD1 HIS 121 17.991 -10.741 10.144 995 HD2 HIS 121 HD2 HIS 121 17.561 -14.693 8.946 996 HE1 HIS 121 HE1 HIS 121 20.205 -11.400 9.155 997 HE2 HIS 121 HE2 HIS 121 19.853 -13.726 8.300 998 H HIS 122 H HIS 122 13.122 -14.805 8.798 999 HA HIS 122 HA HIS 122 10.907 -13.841 10.333 1000 HB2 HIS 122 2HB HIS 122 10.477 -15.557 8.654 1001 HB3 HIS 122 3HB HIS 122 11.612 -16.669 9.417 1002 HD1 HIS 122 HD1 HIS 122 8.427 -14.829 10.523 1003 HD2 HIS 122 HD2 HIS 122 10.268 -18.532 10.894 1004 HE1 HIS 122 HE1 HIS 122 6.892 -16.205 11.954 1005 HE2 HIS 122 HE2 HIS 122 7.993 -18.458 12.097 1006 H HIS 123 H HIS 123 11.805 -13.106 12.214 1007 HA HIS 123 HA HIS 123 12.252 -14.714 14.469 1008 HB2 HIS 123 2HB HIS 123 14.356 -15.454 13.554 1009 HB3 HIS 123 3HB HIS 123 14.758 -13.856 12.942 1010 HD1 HIS 123 HD1 HIS 123 14.432 -15.672 16.283 1011 HD2 HIS 123 HD2 HIS 123 16.396 -12.414 14.611 1012 HE1 HIS 123 HE1 HIS 123 15.965 -14.812 18.069 1013 HE2 HIS 123 HE2 HIS 123 17.287 -12.993 16.948 1014 H HIS 124 H HIS 124 10.945 -13.111 15.400 1015 HA HIS 124 HA HIS 124 12.229 -10.549 16.069 1016 HB2 HIS 124 2HB HIS 124 9.681 -11.874 17.144 1017 HB3 HIS 124 3HB HIS 124 10.262 -10.282 17.621 1018 HD1 HIS 124 HD1 HIS 124 8.033 -11.866 15.266 1019 HD2 HIS 124 HD2 HIS 124 10.373 -8.428 15.282 1020 HE1 HIS 124 HE1 HIS 124 7.102 -10.405 13.449 1021 HE2 HIS 124 HE2 HIS 124 8.617 -8.398 13.394 1022 H HIS 125 H HIS 125 10.973 -13.341 17.869 1023 HA HIS 125 HA HIS 125 13.597 -13.889 19.050 1024 HB2 HIS 125 2HB HIS 125 10.991 -13.682 20.659 1025 HB3 HIS 125 3HB HIS 125 12.419 -14.528 21.247 1026 HD1 HIS 125 HD1 HIS 125 10.962 -11.156 20.837 1027 HD2 HIS 125 HD2 HIS 125 14.629 -12.805 21.867 1028 HE1 HIS 125 HE1 HIS 125 12.244 -9.305 21.938 1029 HE2 HIS 125 HE2 HIS 125 14.424 -10.348 22.625 Start of MODEL 18 1 H1 MET 1 1H MET 1 17.429 9.581 -1.697 2 H2 MET 1 2H MET 1 16.638 8.092 -1.806 3 H3 MET 1 3H MET 1 17.095 8.689 -0.302 4 HA MET 1 HA MET 1 15.584 10.523 -0.517 5 HB2 MET 1 2HB MET 1 14.715 9.132 -3.083 6 HB3 MET 1 3HB MET 1 13.912 10.522 -2.357 7 HG2 MET 1 2HG MET 1 15.263 11.248 -4.219 8 HG3 MET 1 3HG MET 1 15.969 11.862 -2.723 9 HE1 MET 1 1HE MET 1 18.277 12.405 -3.990 10 HE2 MET 1 2HE MET 1 17.576 11.820 -5.500 11 HE3 MET 1 3HE MET 1 19.145 11.220 -4.968 12 H GLY 2 H GLY 2 14.448 7.381 -1.879 13 HA2 GLY 2 2HA GLY 2 12.992 5.793 -1.080 14 HA3 GLY 2 3HA GLY 2 13.294 6.413 0.540 15 H LYS 3 H LYS 3 11.644 7.407 -2.474 16 HA LYS 3 HA LYS 3 9.751 9.100 -1.181 17 HB2 LYS 3 2HB LYS 3 10.370 9.499 -3.510 18 HB3 LYS 3 3HB LYS 3 9.759 7.920 -3.984 19 HG2 LYS 3 2HG LYS 3 8.244 9.796 -4.621 20 HG3 LYS 3 3HG LYS 3 7.468 8.593 -3.590 21 HD2 LYS 3 2HD LYS 3 6.743 10.753 -2.837 22 HD3 LYS 3 3HD LYS 3 7.861 10.144 -1.622 23 HE2 LYS 3 2HE LYS 3 8.671 12.110 -3.792 24 HE3 LYS 3 3HE LYS 3 8.079 12.605 -2.212 25 HZ1 LYS 3 1HZ LYS 3 9.951 11.385 -1.214 26 HZ2 LYS 3 2HZ LYS 3 10.446 12.653 -2.213 27 HZ3 LYS 3 3HZ LYS 3 10.556 11.060 -2.762 28 H VAL 4 H VAL 4 8.287 8.335 0.167 29 HA VAL 4 HA VAL 4 6.892 5.793 -0.325 30 HB VAL 4 HB VAL 4 6.680 7.548 2.163 31 HG11 VAL 4 1HG1 VAL 4 5.867 5.488 3.242 32 HG12 VAL 4 2HG1 VAL 4 6.032 4.604 1.723 33 HG13 VAL 4 3HG1 VAL 4 4.854 5.913 1.860 34 HG21 VAL 4 1HG2 VAL 4 8.334 6.087 3.253 35 HG22 VAL 4 2HG2 VAL 4 9.044 6.927 1.874 36 HG23 VAL 4 3HG2 VAL 4 8.597 5.227 1.735 37 H VAL 5 H VAL 5 4.930 5.864 -1.207 38 HA VAL 5 HA VAL 5 3.137 8.163 -0.674 39 HB VAL 5 HB VAL 5 3.386 6.603 -3.298 40 HG11 VAL 5 1HG1 VAL 5 1.011 7.069 -2.830 41 HG12 VAL 5 2HG1 VAL 5 1.583 8.056 -4.174 42 HG13 VAL 5 3HG1 VAL 5 1.379 8.777 -2.575 43 HG21 VAL 5 1HG2 VAL 5 5.126 8.323 -3.040 44 HG22 VAL 5 2HG2 VAL 5 3.898 9.541 -2.686 45 HG23 VAL 5 3HG2 VAL 5 3.972 8.801 -4.289 46 H PHE 6 H PHE 6 1.534 7.473 0.588 47 HA PHE 6 HA PHE 6 0.681 4.674 0.622 48 HB2 PHE 6 2HB PHE 6 0.972 5.848 2.775 49 HB3 PHE 6 3HB PHE 6 -0.222 7.055 2.307 50 HD1 PHE 6 HD1 PHE 6 0.094 3.327 2.640 51 HD2 PHE 6 HD2 PHE 6 -2.417 6.750 3.151 52 HE1 PHE 6 HE1 PHE 6 -1.660 1.895 3.586 53 HE2 PHE 6 HE2 PHE 6 -4.171 5.307 4.100 54 HZ PHE 6 HZ PHE 6 -3.790 2.882 4.307 55 H LEU 7 H LEU 7 -1.353 4.008 0.133 56 HA LEU 7 HA LEU 7 -3.330 5.825 -1.063 57 HB2 LEU 7 2HB LEU 7 -2.121 4.835 -2.949 58 HB3 LEU 7 3HB LEU 7 -2.249 3.230 -2.249 59 HG LEU 7 HG LEU 7 -4.736 3.302 -2.603 60 HD11 LEU 7 1HD1 LEU 7 -4.192 5.901 -4.065 61 HD12 LEU 7 2HD1 LEU 7 -5.091 5.718 -2.556 62 HD13 LEU 7 3HD1 LEU 7 -5.722 5.020 -4.046 63 HD21 LEU 7 1HD2 LEU 7 -3.258 2.215 -4.238 64 HD22 LEU 7 2HD2 LEU 7 -3.101 3.735 -5.122 65 HD23 LEU 7 3HD2 LEU 7 -4.668 2.931 -5.014 66 H SER 8 H SER 8 -5.327 5.415 -0.215 67 HA SER 8 HA SER 8 -6.084 2.695 0.578 68 HB2 SER 8 2HB SER 8 -5.369 3.748 2.707 69 HB3 SER 8 3HB SER 8 -6.399 5.141 2.385 70 HG SER 8 HG SER 8 -7.834 4.043 3.450 71 H ASP 9 H ASP 9 -8.320 2.378 0.500 72 HA ASP 9 HA ASP 9 -9.749 4.169 -1.316 73 HB2 ASP 9 2HB ASP 9 -9.673 1.591 -1.489 74 HB3 ASP 9 3HB ASP 9 -10.759 1.553 -0.111 75 H ASP 10 H ASP 10 -9.388 3.780 2.028 76 HA ASP 10 HA ASP 10 -11.935 5.184 2.644 77 HB2 ASP 10 2HB ASP 10 -11.888 2.964 3.681 78 HB3 ASP 10 3HB ASP 10 -10.299 3.271 4.375 79 H GLN 11 H GLN 11 -11.866 7.007 3.808 80 HA GLN 11 HA GLN 11 -9.587 8.670 3.791 81 HB2 GLN 11 2HB GLN 11 -11.847 9.561 3.555 82 HB3 GLN 11 3HB GLN 11 -12.299 8.963 5.146 83 HG2 GLN 11 2HG GLN 11 -11.976 11.357 5.251 84 HG3 GLN 11 3HG GLN 11 -10.705 10.569 6.179 85 HE21 GLN 11 1HE2 GLN 11 -8.567 10.646 5.388 86 HE22 GLN 11 2HE2 GLN 11 -8.081 11.774 4.175 87 H GLU 12 H GLU 12 -11.167 6.920 6.469 88 HA GLU 12 HA GLU 12 -9.854 8.292 8.582 89 HB2 GLU 12 2HB GLU 12 -10.995 5.474 8.722 90 HB3 GLU 12 3HB GLU 12 -10.786 6.609 10.054 91 HG2 GLU 12 2HG GLU 12 -12.718 6.884 7.737 92 HG3 GLU 12 3HG GLU 12 -13.131 6.446 9.394 93 H ILE 13 H ILE 13 -9.080 5.420 6.723 94 HA ILE 13 HA ILE 13 -6.869 4.455 8.225 95 HB ILE 13 HB ILE 13 -7.412 4.202 5.230 96 HG12 ILE 13 2HG1 ILE 13 -9.291 3.281 6.578 97 HG13 ILE 13 3HG1 ILE 13 -8.443 2.021 5.696 98 HG21 ILE 13 1HG2 ILE 13 -5.946 2.240 5.295 99 HG22 ILE 13 2HG2 ILE 13 -5.615 2.519 7.002 100 HG23 ILE 13 3HG2 ILE 13 -5.080 3.691 5.795 101 HD11 ILE 13 1HD1 ILE 13 -8.191 2.606 8.647 102 HD12 ILE 13 2HD1 ILE 13 -7.312 1.346 7.773 103 HD13 ILE 13 3HD1 ILE 13 -9.069 1.275 7.899 104 H ILE 14 H ILE 14 -7.174 6.641 5.435 105 HA ILE 14 HA ILE 14 -4.538 7.214 4.798 106 HB ILE 14 HB ILE 14 -7.062 8.915 4.619 107 HG12 ILE 14 2HG1 ILE 14 -5.476 7.496 2.430 108 HG13 ILE 14 3HG1 ILE 14 -6.947 6.876 3.172 109 HG21 ILE 14 1HG2 ILE 14 -4.383 9.664 3.427 110 HG22 ILE 14 2HG2 ILE 14 -5.203 10.502 4.742 111 HG23 ILE 14 3HG2 ILE 14 -5.910 10.494 3.126 112 HD11 ILE 14 1HD1 ILE 14 -8.172 8.841 2.289 113 HD12 ILE 14 2HD1 ILE 14 -7.460 7.828 1.034 114 HD13 ILE 14 3HD1 ILE 14 -6.694 9.355 1.469 115 H GLU 15 H GLU 15 -6.647 8.727 7.219 116 HA GLU 15 HA GLU 15 -4.806 10.793 7.982 117 HB2 GLU 15 2HB GLU 15 -7.347 9.784 9.323 118 HB3 GLU 15 3HB GLU 15 -6.498 11.270 9.753 119 HG2 GLU 15 2HG GLU 15 -6.919 12.193 7.515 120 HG3 GLU 15 3HG GLU 15 -7.709 10.695 7.025 121 H GLU 16 H GLU 16 -5.442 7.528 9.193 122 HA GLU 16 HA GLU 16 -3.992 7.750 11.652 123 HB2 GLU 16 2HB GLU 16 -4.727 5.326 9.966 124 HB3 GLU 16 3HB GLU 16 -3.955 5.209 11.545 125 HG2 GLU 16 2HG GLU 16 -6.644 6.500 11.028 126 HG3 GLU 16 3HG GLU 16 -6.413 4.854 11.591 127 H VAL 17 H VAL 17 -3.108 6.648 8.394 128 HA VAL 17 HA VAL 17 -0.381 5.989 9.017 129 HB VAL 17 HB VAL 17 -1.798 6.416 6.344 130 HG11 VAL 17 1HG1 VAL 17 0.965 5.246 6.846 131 HG12 VAL 17 2HG1 VAL 17 0.602 6.751 5.996 132 HG13 VAL 17 3HG1 VAL 17 0.109 5.205 5.303 133 HG21 VAL 17 1HG2 VAL 17 -1.071 3.852 7.811 134 HG22 VAL 17 2HG2 VAL 17 -1.844 3.953 6.228 135 HG23 VAL 17 3HG2 VAL 17 -2.693 4.535 7.660 136 H SER 18 H SER 18 -2.049 8.822 7.712 137 HA SER 18 HA SER 18 0.175 10.446 7.122 138 HB2 SER 18 2HB SER 18 -2.104 10.997 6.349 139 HB3 SER 18 3HB SER 18 -2.641 11.230 8.011 140 HG SER 18 HG SER 18 -2.177 13.232 7.419 141 H LYS 19 H LYS 19 -1.669 9.876 10.111 142 HA LYS 19 HA LYS 19 -0.273 11.681 11.784 143 HB2 LYS 19 2HB LYS 19 -2.430 10.655 12.460 144 HB3 LYS 19 3HB LYS 19 -1.663 9.073 12.534 145 HG2 LYS 19 2HG LYS 19 -1.895 9.929 14.792 146 HG3 LYS 19 3HG LYS 19 -0.182 9.899 14.377 147 HD2 LYS 19 2HD LYS 19 -0.686 11.954 15.572 148 HD3 LYS 19 3HD LYS 19 -0.288 12.351 13.898 149 HE2 LYS 19 2HE LYS 19 -2.210 13.661 14.661 150 HE3 LYS 19 3HE LYS 19 -2.706 12.550 13.387 151 HZ1 LYS 19 1HZ LYS 19 -4.315 12.570 15.151 152 HZ2 LYS 19 2HZ LYS 19 -3.140 12.185 16.306 153 HZ3 LYS 19 3HZ LYS 19 -3.559 11.059 15.117 154 H LYS 20 H LYS 20 0.190 8.179 11.144 155 HA LYS 20 HA LYS 20 2.405 7.673 12.760 156 HB2 LYS 20 2HB LYS 20 1.101 5.903 11.614 157 HB3 LYS 20 3HB LYS 20 1.682 6.464 10.058 158 HG2 LYS 20 2HG LYS 20 3.013 4.604 10.389 159 HG3 LYS 20 3HG LYS 20 4.069 5.870 11.007 160 HD2 LYS 20 2HD LYS 20 2.289 4.124 12.760 161 HD3 LYS 20 3HD LYS 20 3.970 3.756 12.393 162 HE2 LYS 20 2HE LYS 20 4.627 5.917 13.471 163 HE3 LYS 20 3HE LYS 20 2.942 6.153 13.939 164 HZ1 LYS 20 1HZ LYS 20 4.653 3.862 14.741 165 HZ2 LYS 20 2HZ LYS 20 3.046 4.099 15.204 166 HZ3 LYS 20 3HZ LYS 20 4.241 5.175 15.725 167 H ALA 21 H ALA 21 2.232 8.967 9.484 168 HA ALA 21 HA ALA 21 4.935 9.141 8.830 169 HB1 ALA 21 1HB ALA 21 4.251 10.832 7.198 170 HB2 ALA 21 2HB ALA 21 2.692 11.014 8.013 171 HB3 ALA 21 3HB ALA 21 3.108 9.491 7.222 172 H GLU 22 H GLU 22 2.810 11.522 10.458 173 HA GLU 22 HA GLU 22 4.784 13.538 10.804 174 HB2 GLU 22 2HB GLU 22 2.363 14.013 10.899 175 HB3 GLU 22 3HB GLU 22 2.208 13.056 12.371 176 HG2 GLU 22 2HG GLU 22 3.686 14.655 13.558 177 HG3 GLU 22 3HG GLU 22 3.853 15.596 12.082 178 H GLU 23 H GLU 23 3.614 10.994 13.012 179 HA GLU 23 HA GLU 23 5.008 11.629 15.307 180 HB2 GLU 23 2HB GLU 23 4.355 8.811 14.352 181 HB3 GLU 23 3HB GLU 23 4.703 9.288 16.007 182 HG2 GLU 23 2HG GLU 23 2.276 10.069 14.382 183 HG3 GLU 23 3HG GLU 23 2.324 8.904 15.692 184 H GLU 24 H GLU 24 6.072 9.536 12.616 185 HA GLU 24 HA GLU 24 8.644 9.023 13.934 186 HB2 GLU 24 2HB GLU 24 7.507 7.892 11.357 187 HB3 GLU 24 3HB GLU 24 8.972 7.349 12.166 188 HG2 GLU 24 2HG GLU 24 6.130 7.098 13.172 189 HG3 GLU 24 3HG GLU 24 7.173 5.794 12.612 190 H GLY 25 H GLY 25 7.411 11.201 11.607 191 HA2 GLY 25 2HA GLY 25 8.504 12.890 10.464 192 HA3 GLY 25 3HA GLY 25 10.052 12.235 10.976 193 H TYR 26 H TYR 26 7.603 10.352 9.321 194 HA TYR 26 HA TYR 26 9.308 9.833 7.002 195 HB2 TYR 26 2HB TYR 26 6.510 8.841 7.710 196 HB3 TYR 26 3HB TYR 26 7.463 8.276 6.350 197 HD1 TYR 26 HD1 TYR 26 10.151 7.934 7.834 198 HD2 TYR 26 HD2 TYR 26 6.145 6.784 8.816 199 HE1 TYR 26 HE1 TYR 26 11.009 6.001 9.090 200 HE2 TYR 26 HE2 TYR 26 7.009 4.861 10.082 201 HH TYR 26 HH TYR 26 10.203 4.513 10.976 202 H ASP 27 H ASP 27 9.026 10.896 5.021 203 HA ASP 27 HA ASP 27 6.689 12.595 4.576 204 HB2 ASP 27 2HB ASP 27 7.723 13.270 2.464 205 HB3 ASP 27 3HB ASP 27 8.883 13.415 3.769 206 H ILE 28 H ILE 28 4.972 11.191 4.542 207 HA ILE 28 HA ILE 28 4.851 9.156 2.383 208 HB ILE 28 HB ILE 28 3.084 9.307 4.876 209 HG12 ILE 28 2HG1 ILE 28 5.445 7.436 4.346 210 HG13 ILE 28 3HG1 ILE 28 5.445 8.771 5.493 211 HG21 ILE 28 1HG2 ILE 28 3.388 7.119 2.796 212 HG22 ILE 28 2HG2 ILE 28 2.007 8.209 2.961 213 HG23 ILE 28 3HG2 ILE 28 2.364 7.037 4.232 214 HD11 ILE 28 1HD1 ILE 28 3.733 6.292 5.660 215 HD12 ILE 28 2HD1 ILE 28 3.701 7.643 6.798 216 HD13 ILE 28 3HD1 ILE 28 5.157 6.664 6.630 217 H GLN 29 H GLN 29 4.003 10.219 0.662 218 HA GLN 29 HA GLN 29 1.937 12.226 0.876 219 HB2 GLN 29 2HB GLN 29 3.637 12.309 -0.922 220 HB3 GLN 29 3HB GLN 29 3.076 10.765 -1.553 221 HG2 GLN 29 2HG GLN 29 2.260 12.652 -2.899 222 HG3 GLN 29 3HG GLN 29 0.929 11.759 -2.165 223 HE21 GLN 29 1HE2 GLN 29 2.715 14.741 -2.162 224 HE22 GLN 29 2HE2 GLN 29 1.588 15.662 -1.230 225 H THR 30 H THR 30 -0.127 11.677 1.286 226 HA THR 30 HA THR 30 -1.063 8.912 0.795 227 HB THR 30 HB THR 30 -2.930 9.545 2.368 228 HG1 THR 30 HG1 THR 30 -3.069 11.539 3.158 229 HG21 THR 30 1HG2 THR 30 -0.148 10.026 3.519 230 HG22 THR 30 2HG2 THR 30 -0.903 8.447 3.290 231 HG23 THR 30 3HG2 THR 30 -1.591 9.593 4.443 232 H SER 31 H SER 31 -3.051 8.518 -0.269 233 HA SER 31 HA SER 31 -4.641 10.678 -1.394 234 HB2 SER 31 2HB SER 31 -2.835 10.425 -3.100 235 HB3 SER 31 3HB SER 31 -3.203 8.711 -3.252 236 HG SER 31 HG SER 31 -4.146 10.305 -4.833 237 H ASN 32 H ASN 32 -6.568 9.878 -2.460 238 HA ASN 32 HA ASN 32 -7.522 7.263 -1.456 239 HB2 ASN 32 2HB ASN 32 -8.816 9.245 -0.703 240 HB3 ASN 32 3HB ASN 32 -9.097 9.713 -2.374 241 HD21 ASN 32 1HD2 ASN 32 -9.306 6.391 -1.074 242 HD22 ASN 32 2HD2 ASN 32 -11.005 6.226 -1.339 243 H ASP 33 H ASP 33 -6.898 9.153 -4.330 244 HA ASP 33 HA ASP 33 -8.528 7.483 -6.080 245 HB2 ASP 33 2HB ASP 33 -8.459 9.958 -6.412 246 HB3 ASP 33 3HB ASP 33 -6.739 9.848 -6.787 247 H LYS 34 H LYS 34 -7.703 5.572 -6.423 248 HA LYS 34 HA LYS 34 -5.014 4.774 -6.416 249 HB2 LYS 34 2HB LYS 34 -5.876 2.604 -7.211 250 HB3 LYS 34 3HB LYS 34 -6.909 3.273 -5.952 251 HG2 LYS 34 2HG LYS 34 -8.344 4.202 -7.936 252 HG3 LYS 34 3HG LYS 34 -7.457 3.029 -8.908 253 HD2 LYS 34 2HD LYS 34 -9.596 2.091 -8.206 254 HD3 LYS 34 3HD LYS 34 -8.279 1.204 -7.441 255 HE2 LYS 34 2HE LYS 34 -8.666 2.373 -5.332 256 HE3 LYS 34 3HE LYS 34 -9.883 3.406 -6.089 257 HZ1 LYS 34 1HZ LYS 34 -11.272 1.475 -6.450 258 HZ2 LYS 34 2HZ LYS 34 -10.872 1.599 -4.812 259 HZ3 LYS 34 3HZ LYS 34 -10.098 0.451 -5.785 260 H LYS 35 H LYS 35 -6.970 6.095 -8.979 261 HA LYS 35 HA LYS 35 -5.626 4.957 -11.229 262 HB2 LYS 35 2HB LYS 35 -7.310 7.493 -11.056 263 HB3 LYS 35 3HB LYS 35 -6.850 6.676 -12.548 264 HG2 LYS 35 2HG LYS 35 -8.610 5.506 -10.365 265 HG3 LYS 35 3HG LYS 35 -9.179 6.177 -11.895 266 HD2 LYS 35 2HD LYS 35 -7.358 3.751 -11.613 267 HD3 LYS 35 3HD LYS 35 -9.095 3.688 -11.909 268 HE2 LYS 35 2HE LYS 35 -7.043 4.933 -13.777 269 HE3 LYS 35 3HE LYS 35 -7.783 3.348 -13.977 270 HZ1 LYS 35 1HZ LYS 35 -8.842 5.008 -15.354 271 HZ2 LYS 35 2HZ LYS 35 -9.231 5.934 -13.998 272 HZ3 LYS 35 3HZ LYS 35 -9.930 4.412 -14.205 273 H GLU 36 H GLU 36 -5.327 8.004 -9.482 274 HA GLU 36 HA GLU 36 -3.390 9.321 -11.063 275 HB2 GLU 36 2HB GLU 36 -4.751 10.517 -9.417 276 HB3 GLU 36 3HB GLU 36 -4.106 9.537 -8.103 277 HG2 GLU 36 2HG GLU 36 -1.838 10.524 -8.584 278 HG3 GLU 36 3HG GLU 36 -2.616 11.600 -9.747 279 H ILE 37 H ILE 37 -3.202 7.156 -8.292 280 HA ILE 37 HA ILE 37 -0.405 7.297 -7.856 281 HB ILE 37 HB ILE 37 -2.447 5.190 -7.011 282 HG12 ILE 37 2HG1 ILE 37 -3.082 7.384 -6.151 283 HG13 ILE 37 3HG1 ILE 37 -2.431 6.445 -4.815 284 HG21 ILE 37 1HG2 ILE 37 0.339 5.697 -5.920 285 HG22 ILE 37 2HG2 ILE 37 -0.189 4.278 -6.830 286 HG23 ILE 37 3HG2 ILE 37 -0.847 4.592 -5.223 287 HD11 ILE 37 1HD1 ILE 37 -1.014 8.654 -6.319 288 HD12 ILE 37 2HD1 ILE 37 -0.289 7.677 -5.039 289 HD13 ILE 37 3HD1 ILE 37 -1.664 8.718 -4.683 290 H ILE 38 H ILE 38 -2.463 5.051 -9.720 291 HA ILE 38 HA ILE 38 -0.556 3.208 -10.605 292 HB ILE 38 HB ILE 38 -3.072 4.286 -11.952 293 HG12 ILE 38 2HG1 ILE 38 -2.470 1.553 -10.724 294 HG13 ILE 38 3HG1 ILE 38 -3.360 2.846 -9.928 295 HG21 ILE 38 1HG2 ILE 38 -1.584 3.628 -13.789 296 HG22 ILE 38 2HG2 ILE 38 -2.923 2.491 -13.653 297 HG23 ILE 38 3HG2 ILE 38 -1.329 2.050 -13.045 298 HD11 ILE 38 1HD1 ILE 38 -5.103 2.690 -11.650 299 HD12 ILE 38 2HD1 ILE 38 -4.866 1.173 -10.782 300 HD13 ILE 38 3HD1 ILE 38 -4.216 1.363 -12.410 301 H ASP 39 H ASP 39 -1.441 6.410 -11.901 302 HA ASP 39 HA ASP 39 0.279 6.350 -14.157 303 HB2 ASP 39 2HB ASP 39 -1.690 7.865 -14.013 304 HB3 ASP 39 3HB ASP 39 -0.884 8.792 -12.755 305 H ARG 40 H ARG 40 0.773 7.384 -10.816 306 HA ARG 40 HA ARG 40 3.310 8.646 -11.246 307 HB2 ARG 40 2HB ARG 40 2.119 7.494 -8.693 308 HB3 ARG 40 3HB ARG 40 3.562 8.503 -8.780 309 HG2 ARG 40 2HG ARG 40 2.058 10.298 -9.853 310 HG3 ARG 40 3HG ARG 40 0.696 9.295 -9.344 311 HD2 ARG 40 2HD ARG 40 1.177 11.067 -7.696 312 HD3 ARG 40 3HD ARG 40 1.413 9.458 -7.001 313 HE ARG 40 HE ARG 40 3.849 10.483 -8.070 314 HH11 ARG 40 1HH1 ARG 40 1.761 10.863 -5.247 315 HH12 ARG 40 2HH1 ARG 40 3.067 11.383 -4.231 316 HH21 ARG 40 1HH2 ARG 40 5.522 11.133 -6.704 317 HH22 ARG 40 2HH2 ARG 40 5.183 11.535 -5.053 318 H LEU 41 H LEU 41 2.299 5.359 -10.416 319 HA LEU 41 HA LEU 41 4.882 4.202 -10.120 320 HB2 LEU 41 2HB LEU 41 2.223 2.966 -10.941 321 HB3 LEU 41 3HB LEU 41 3.657 2.033 -10.538 322 HG LEU 41 HG LEU 41 2.271 3.909 -8.575 323 HD11 LEU 41 1HD1 LEU 41 1.989 0.894 -8.792 324 HD12 LEU 41 2HD1 LEU 41 0.748 2.087 -9.189 325 HD13 LEU 41 3HD1 LEU 41 1.306 1.920 -7.527 326 HD21 LEU 41 1HD2 LEU 41 4.641 3.525 -8.070 327 HD22 LEU 41 2HD2 LEU 41 4.391 1.778 -8.129 328 HD23 LEU 41 3HD2 LEU 41 3.609 2.742 -6.873 329 H LYS 42 H LYS 42 2.799 4.847 -12.897 330 HA LYS 42 HA LYS 42 4.327 3.585 -14.930 331 HB2 LYS 42 2HB LYS 42 2.358 5.904 -15.000 332 HB3 LYS 42 3HB LYS 42 3.099 5.262 -16.459 333 HG2 LYS 42 2HG LYS 42 2.017 3.132 -16.170 334 HG3 LYS 42 3HG LYS 42 1.467 3.561 -14.552 335 HD2 LYS 42 2HD LYS 42 -0.403 3.662 -16.110 336 HD3 LYS 42 3HD LYS 42 -0.042 5.280 -15.526 337 HE2 LYS 42 2HE LYS 42 0.985 4.269 -18.194 338 HE3 LYS 42 3HE LYS 42 -0.598 5.016 -18.017 339 HZ1 LYS 42 1HZ LYS 42 0.963 6.650 -18.727 340 HZ2 LYS 42 2HZ LYS 42 2.026 6.294 -17.464 341 HZ3 LYS 42 3HZ LYS 42 0.531 7.008 -17.131 342 H ARG 43 H ARG 43 4.602 6.727 -13.341 343 HA ARG 43 HA ARG 43 6.750 7.710 -15.026 344 HB2 ARG 43 2HB ARG 43 5.889 8.731 -12.264 345 HB3 ARG 43 3HB ARG 43 6.882 9.583 -13.443 346 HG2 ARG 43 2HG ARG 43 4.997 9.788 -14.975 347 HG3 ARG 43 3HG ARG 43 3.990 8.810 -13.911 348 HD2 ARG 43 2HD ARG 43 4.277 10.573 -12.134 349 HD3 ARG 43 3HD ARG 43 5.103 11.571 -13.338 350 HE ARG 43 HE ARG 43 2.503 10.682 -14.199 351 HH11 ARG 43 1HH1 ARG 43 4.141 13.173 -12.310 352 HH12 ARG 43 2HH1 ARG 43 2.847 14.312 -12.487 353 HH21 ARG 43 1HH2 ARG 43 0.819 12.180 -14.373 354 HH22 ARG 43 2HH2 ARG 43 0.970 13.752 -13.653 355 H ARG 44 H ARG 44 6.518 5.437 -12.550 356 HA ARG 44 HA ARG 44 7.829 4.338 -11.110 357 HB2 ARG 44 2HB ARG 44 9.185 4.161 -13.302 358 HB3 ARG 44 3HB ARG 44 10.239 5.402 -12.632 359 HG2 ARG 44 2HG ARG 44 10.773 3.914 -10.728 360 HG3 ARG 44 3HG ARG 44 9.700 2.682 -11.393 361 HD2 ARG 44 2HD ARG 44 11.150 2.673 -13.465 362 HD3 ARG 44 3HD ARG 44 12.279 3.721 -12.601 363 HE ARG 44 HE ARG 44 11.929 0.894 -12.303 364 HH11 ARG 44 1HH1 ARG 44 12.999 3.741 -10.533 365 HH12 ARG 44 2HH1 ARG 44 13.969 2.824 -9.430 366 HH21 ARG 44 1HH2 ARG 44 13.143 -0.278 -10.831 367 HH22 ARG 44 2HH2 ARG 44 14.050 0.541 -9.603 368 H ASN 45 H ASN 45 7.120 7.131 -10.657 369 HA ASN 45 HA ASN 45 9.251 8.639 -9.523 370 HB2 ASN 45 2HB ASN 45 7.115 9.566 -10.537 371 HB3 ASN 45 3HB ASN 45 6.246 9.010 -9.110 372 HD21 ASN 45 1HD2 ASN 45 8.655 11.242 -10.309 373 HD22 ASN 45 2HD2 ASN 45 8.559 12.344 -8.989 374 H ILE 46 H ILE 46 7.222 6.164 -8.309 375 HA ILE 46 HA ILE 46 7.550 6.947 -5.473 376 HB ILE 46 HB ILE 46 5.789 4.714 -6.600 377 HG12 ILE 46 2HG1 ILE 46 5.005 7.576 -5.852 378 HG13 ILE 46 3HG1 ILE 46 5.012 6.899 -7.476 379 HG21 ILE 46 1HG2 ILE 46 6.420 4.419 -4.229 380 HG22 ILE 46 2HG2 ILE 46 4.703 4.786 -4.376 381 HG23 ILE 46 3HG2 ILE 46 5.828 6.041 -3.854 382 HD11 ILE 46 1HD1 ILE 46 3.220 5.364 -6.845 383 HD12 ILE 46 2HD1 ILE 46 2.773 7.050 -6.591 384 HD13 ILE 46 3HD1 ILE 46 3.214 6.044 -5.214 385 H ASP 47 H ASP 47 9.088 5.918 -4.301 386 HA ASP 47 HA ASP 47 10.694 3.794 -5.453 387 HB2 ASP 47 2HB ASP 47 11.784 5.521 -4.100 388 HB3 ASP 47 3HB ASP 47 10.752 5.155 -2.720 389 H MET 48 H MET 48 8.448 4.201 -2.792 390 HA MET 48 HA MET 48 7.922 1.344 -2.638 391 HB2 MET 48 2HB MET 48 8.364 1.297 -0.202 392 HB3 MET 48 3HB MET 48 9.815 1.625 -1.128 393 HG2 MET 48 2HG MET 48 9.423 4.097 -0.575 394 HG3 MET 48 3HG MET 48 8.240 3.535 0.605 395 HE1 MET 48 1HE MET 48 9.065 1.433 2.361 396 HE2 MET 48 2HE MET 48 10.763 1.188 2.764 397 HE3 MET 48 3HE MET 48 10.142 0.644 1.206 398 H ILE 49 H ILE 49 5.851 0.948 -2.123 399 HA ILE 49 HA ILE 49 4.056 3.214 -1.514 400 HB ILE 49 HB ILE 49 4.054 3.080 -3.934 401 HG12 ILE 49 2HG1 ILE 49 1.549 1.757 -2.793 402 HG13 ILE 49 3HG1 ILE 49 1.829 3.480 -3.010 403 HG21 ILE 49 1HG2 ILE 49 5.020 0.844 -4.211 404 HG22 ILE 49 2HG2 ILE 49 3.585 1.043 -5.218 405 HG23 ILE 49 3HG2 ILE 49 3.491 0.112 -3.721 406 HD11 ILE 49 1HD1 ILE 49 0.314 2.653 -4.678 407 HD12 ILE 49 2HD1 ILE 49 1.473 1.430 -5.195 408 HD13 ILE 49 3HD1 ILE 49 1.820 3.143 -5.452 409 H ILE 50 H ILE 50 2.116 2.631 -0.531 410 HA ILE 50 HA ILE 50 1.751 -0.188 0.337 411 HB ILE 50 HB ILE 50 1.397 2.280 2.126 412 HG12 ILE 50 2HG1 ILE 50 3.592 0.178 2.351 413 HG13 ILE 50 3HG1 ILE 50 3.821 1.731 1.561 414 HG21 ILE 50 1HG2 ILE 50 1.230 -0.682 2.806 415 HG22 ILE 50 2HG2 ILE 50 -0.131 0.440 2.709 416 HG23 ILE 50 3HG2 ILE 50 1.095 0.647 3.961 417 HD11 ILE 50 1HD1 ILE 50 4.714 1.757 3.784 418 HD12 ILE 50 2HD1 ILE 50 3.154 1.300 4.461 419 HD13 ILE 50 3HD1 ILE 50 3.351 2.867 3.671 420 H VAL 51 H VAL 51 -0.305 -0.846 -0.122 421 HA VAL 51 HA VAL 51 -2.439 1.185 -0.508 422 HB VAL 51 HB VAL 51 -2.067 -1.400 -2.113 423 HG11 VAL 51 1HG1 VAL 51 -4.206 0.761 -2.372 424 HG12 VAL 51 2HG1 VAL 51 -4.460 -0.888 -1.794 425 HG13 VAL 51 3HG1 VAL 51 -3.991 -0.605 -3.470 426 HG21 VAL 51 1HG2 VAL 51 -1.685 0.131 -4.041 427 HG22 VAL 51 2HG2 VAL 51 -0.447 0.300 -2.795 428 HG23 VAL 51 3HG2 VAL 51 -1.726 1.509 -2.940 429 H LYS 52 H LYS 52 -3.743 1.008 1.176 430 HA LYS 52 HA LYS 52 -4.525 -1.630 2.240 431 HB2 LYS 52 2HB LYS 52 -3.848 -0.213 4.032 432 HB3 LYS 52 3HB LYS 52 -4.681 1.186 3.363 433 HG2 LYS 52 2HG LYS 52 -5.798 0.303 5.379 434 HG3 LYS 52 3HG LYS 52 -6.844 0.264 3.963 435 HD2 LYS 52 2HD LYS 52 -6.377 -2.181 3.722 436 HD3 LYS 52 3HD LYS 52 -5.388 -2.123 5.185 437 HE2 LYS 52 2HE LYS 52 -7.315 -1.560 6.539 438 HE3 LYS 52 3HE LYS 52 -8.326 -1.342 5.108 439 HZ1 LYS 52 1HZ LYS 52 -7.117 -3.905 5.969 440 HZ2 LYS 52 2HZ LYS 52 -8.115 -3.678 4.638 441 HZ3 LYS 52 3HZ LYS 52 -8.728 -3.456 6.194 442 H THR 53 H THR 53 -6.154 -2.438 1.078 443 HA THR 53 HA THR 53 -8.749 -1.351 1.348 444 HB THR 53 HB THR 53 -8.075 0.069 -0.581 445 HG1 THR 53 HG1 THR 53 -10.255 -0.607 -0.395 446 HG21 THR 53 1HG2 THR 53 -7.749 -2.526 -2.133 447 HG22 THR 53 2HG2 THR 53 -6.440 -1.429 -1.686 448 HG23 THR 53 3HG2 THR 53 -7.688 -0.898 -2.814 449 H GLU 54 H GLU 54 -10.381 -2.826 0.563 450 HA GLU 54 HA GLU 54 -9.480 -5.601 0.127 451 HB2 GLU 54 2HB GLU 54 -12.184 -4.420 0.909 452 HB3 GLU 54 3HB GLU 54 -11.983 -6.109 0.460 453 HG2 GLU 54 2HG GLU 54 -12.031 -5.950 2.862 454 HG3 GLU 54 3HG GLU 54 -10.408 -6.414 2.362 455 H ASP 55 H ASP 55 -10.266 -2.926 -1.672 456 HA ASP 55 HA ASP 55 -11.844 -4.023 -3.787 457 HB2 ASP 55 2HB ASP 55 -11.619 -1.547 -3.249 458 HB3 ASP 55 3HB ASP 55 -9.977 -1.598 -3.872 459 H LYS 56 H LYS 56 -10.969 -5.903 -4.490 460 HA LYS 56 HA LYS 56 -8.332 -6.668 -4.768 461 HB2 LYS 56 2HB LYS 56 -10.677 -7.663 -6.438 462 HB3 LYS 56 3HB LYS 56 -9.145 -8.509 -6.216 463 HG2 LYS 56 2HG LYS 56 -9.605 -8.767 -3.821 464 HG3 LYS 56 3HG LYS 56 -11.122 -7.874 -3.997 465 HD2 LYS 56 2HD LYS 56 -11.927 -9.655 -5.583 466 HD3 LYS 56 3HD LYS 56 -10.441 -10.560 -5.276 467 HE2 LYS 56 2HE LYS 56 -11.048 -10.795 -2.913 468 HE3 LYS 56 3HE LYS 56 -12.491 -9.810 -3.163 469 HZ1 LYS 56 1HZ LYS 56 -13.086 -12.110 -3.157 470 HZ2 LYS 56 2HZ LYS 56 -11.939 -12.477 -4.341 471 HZ3 LYS 56 3HZ LYS 56 -13.280 -11.525 -4.733 472 H GLU 57 H GLU 57 -10.320 -4.911 -7.052 473 HA GLU 57 HA GLU 57 -8.693 -5.211 -9.369 474 HB2 GLU 57 2HB GLU 57 -10.798 -3.118 -8.664 475 HB3 GLU 57 3HB GLU 57 -10.090 -3.320 -10.269 476 HG2 GLU 57 2HG GLU 57 -11.026 -5.566 -10.450 477 HG3 GLU 57 3HG GLU 57 -11.649 -5.480 -8.803 478 H SER 58 H SER 58 -8.863 -2.734 -6.800 479 HA SER 58 HA SER 58 -6.986 -0.893 -7.877 480 HB2 SER 58 2HB SER 58 -8.538 -0.333 -5.998 481 HB3 SER 58 3HB SER 58 -7.674 -1.451 -4.945 482 HG SER 58 HG SER 58 -5.840 0.152 -5.927 483 H ILE 59 H ILE 59 -6.725 -3.458 -5.459 484 HA ILE 59 HA ILE 59 -4.053 -3.396 -4.798 485 HB ILE 59 HB ILE 59 -5.931 -5.795 -5.024 486 HG12 ILE 59 2HG1 ILE 59 -5.220 -4.120 -2.565 487 HG13 ILE 59 3HG1 ILE 59 -6.688 -3.915 -3.515 488 HG21 ILE 59 1HG2 ILE 59 -3.618 -6.590 -4.940 489 HG22 ILE 59 2HG2 ILE 59 -4.440 -6.949 -3.422 490 HG23 ILE 59 3HG2 ILE 59 -3.307 -5.601 -3.513 491 HD11 ILE 59 1HD1 ILE 59 -7.340 -6.222 -2.945 492 HD12 ILE 59 2HD1 ILE 59 -7.176 -5.165 -1.545 493 HD13 ILE 59 3HD1 ILE 59 -5.913 -6.340 -1.911 494 H SER 60 H SER 60 -5.601 -5.446 -7.277 495 HA SER 60 HA SER 60 -3.307 -6.751 -8.193 496 HB2 SER 60 2HB SER 60 -5.594 -7.595 -8.610 497 HB3 SER 60 3HB SER 60 -5.902 -6.250 -9.713 498 HG SER 60 HG SER 60 -3.740 -8.052 -10.065 499 H GLU 61 H GLU 61 -4.976 -3.866 -9.539 500 HA GLU 61 HA GLU 61 -3.376 -3.542 -11.836 501 HB2 GLU 61 2HB GLU 61 -5.096 -1.559 -10.294 502 HB3 GLU 61 3HB GLU 61 -4.264 -1.129 -11.791 503 HG2 GLU 61 2HG GLU 61 -5.515 -2.874 -13.001 504 HG3 GLU 61 3HG GLU 61 -6.323 -3.337 -11.505 505 H ILE 62 H ILE 62 -3.130 -1.967 -8.622 506 HA ILE 62 HA ILE 62 -0.884 -0.377 -9.151 507 HB ILE 62 HB ILE 62 -2.137 -1.414 -6.607 508 HG12 ILE 62 2HG1 ILE 62 -2.102 1.086 -6.033 509 HG13 ILE 62 3HG1 ILE 62 -1.420 1.381 -7.624 510 HG21 ILE 62 1HG2 ILE 62 0.207 -1.776 -6.076 511 HG22 ILE 62 2HG2 ILE 62 -0.363 -0.358 -5.201 512 HG23 ILE 62 3HG2 ILE 62 0.624 -0.158 -6.644 513 HD11 ILE 62 1HD1 ILE 62 -3.763 1.869 -7.617 514 HD12 ILE 62 2HD1 ILE 62 -4.139 0.255 -7.017 515 HD13 ILE 62 3HD1 ILE 62 -3.467 0.458 -8.636 516 H ILE 63 H ILE 63 -1.066 -3.753 -7.922 517 HA ILE 63 HA ILE 63 1.677 -4.201 -7.497 518 HB ILE 63 HB ILE 63 -0.482 -6.204 -8.299 519 HG12 ILE 63 2HG1 ILE 63 0.722 -5.636 -5.548 520 HG13 ILE 63 3HG1 ILE 63 -0.819 -4.996 -6.108 521 HG21 ILE 63 1HG2 ILE 63 2.313 -6.772 -7.228 522 HG22 ILE 63 2HG2 ILE 63 1.717 -7.155 -8.844 523 HG23 ILE 63 3HG2 ILE 63 1.042 -7.978 -7.440 524 HD11 ILE 63 1HD1 ILE 63 -1.692 -7.266 -6.313 525 HD12 ILE 63 2HD1 ILE 63 -1.140 -6.908 -4.678 526 HD13 ILE 63 3HD1 ILE 63 -0.149 -7.909 -5.739 527 H LYS 64 H LYS 64 -0.308 -4.719 -10.450 528 HA LYS 64 HA LYS 64 1.605 -5.831 -12.153 529 HB2 LYS 64 2HB LYS 64 -0.616 -3.866 -12.871 530 HB3 LYS 64 3HB LYS 64 0.251 -4.876 -14.027 531 HG2 LYS 64 2HG LYS 64 -0.711 -6.892 -13.070 532 HG3 LYS 64 3HG LYS 64 -1.464 -5.958 -11.773 533 HD2 LYS 64 2HD LYS 64 -2.784 -4.703 -13.522 534 HD3 LYS 64 3HD LYS 64 -2.114 -5.789 -14.742 535 HE2 LYS 64 2HE LYS 64 -3.199 -7.705 -13.643 536 HE3 LYS 64 3HE LYS 64 -3.831 -6.637 -12.386 537 HZ1 LYS 64 1HZ LYS 64 -5.524 -7.037 -14.008 538 HZ2 LYS 64 2HZ LYS 64 -4.518 -6.569 -15.280 539 HZ3 LYS 64 3HZ LYS 64 -5.044 -5.423 -14.152 540 H GLN 65 H GLN 65 0.892 -2.455 -11.396 541 HA GLN 65 HA GLN 65 2.772 -1.273 -13.197 542 HB2 GLN 65 2HB GLN 65 1.378 -0.121 -10.746 543 HB3 GLN 65 3HB GLN 65 2.223 0.821 -11.971 544 HG2 GLN 65 2HG GLN 65 -0.245 -0.870 -12.453 545 HG3 GLN 65 3HG GLN 65 -0.230 0.877 -12.249 546 HE21 GLN 65 1HE2 GLN 65 2.162 1.298 -13.845 547 HE22 GLN 65 2HE2 GLN 65 1.715 1.014 -15.485 548 H VAL 66 H VAL 66 2.960 -2.319 -9.807 549 HA VAL 66 HA VAL 66 5.506 -1.040 -9.308 550 HB VAL 66 HB VAL 66 4.045 -3.145 -7.637 551 HG11 VAL 66 1HG1 VAL 66 6.387 -1.332 -6.914 552 HG12 VAL 66 2HG1 VAL 66 6.450 -3.085 -7.114 553 HG13 VAL 66 3HG1 VAL 66 5.524 -2.383 -5.792 554 HG21 VAL 66 1HG2 VAL 66 4.122 -0.115 -7.321 555 HG22 VAL 66 2HG2 VAL 66 3.338 -1.248 -6.216 556 HG23 VAL 66 3HG2 VAL 66 2.737 -1.061 -7.861 557 H LEU 67 H LEU 67 4.408 -4.159 -10.468 558 HA LEU 67 HA LEU 67 6.896 -5.562 -10.311 559 HB2 LEU 67 2HB LEU 67 4.468 -5.989 -12.114 560 HB3 LEU 67 3HB LEU 67 5.849 -7.073 -12.071 561 HG LEU 67 HG LEU 67 3.948 -6.548 -9.750 562 HD11 LEU 67 1HD1 LEU 67 3.167 -8.845 -10.115 563 HD12 LEU 67 2HD1 LEU 67 4.225 -8.996 -11.521 564 HD13 LEU 67 3HD1 LEU 67 2.892 -7.838 -11.537 565 HD21 LEU 67 1HD2 LEU 67 6.189 -7.034 -8.902 566 HD22 LEU 67 2HD2 LEU 67 6.294 -8.476 -9.914 567 HD23 LEU 67 3HD2 LEU 67 5.115 -8.400 -8.602 568 H ASP 68 H ASP 68 5.226 -3.624 -12.756 569 HA ASP 68 HA ASP 68 7.118 -3.797 -14.845 570 HB2 ASP 68 2HB ASP 68 4.839 -3.089 -15.307 571 HB3 ASP 68 3HB ASP 68 4.980 -1.716 -14.215 572 H SER 69 H SER 69 6.731 -1.469 -12.164 573 HA SER 69 HA SER 69 8.961 0.167 -13.027 574 HB2 SER 69 2HB SER 69 8.543 1.405 -10.908 575 HB3 SER 69 3HB SER 69 7.078 1.225 -11.868 576 HG SER 69 HG SER 69 6.221 0.211 -10.274 577 H GLY 70 H GLY 70 8.516 -2.658 -11.084 578 HA2 GLY 70 2HA GLY 70 9.950 -4.000 -9.914 579 HA3 GLY 70 3HA GLY 70 11.288 -3.096 -10.608 580 H ALA 71 H ALA 71 8.692 -1.710 -8.681 581 HA ALA 71 HA ALA 71 10.621 -0.630 -6.746 582 HB1 ALA 71 1HB ALA 71 7.665 -0.034 -7.160 583 HB2 ALA 71 2HB ALA 71 9.011 0.899 -7.821 584 HB3 ALA 71 3HB ALA 71 8.754 0.837 -6.076 585 H LYS 72 H LYS 72 9.321 -0.363 -4.441 586 HA LYS 72 HA LYS 72 8.725 -3.097 -3.492 587 HB2 LYS 72 2HB LYS 72 9.575 -0.544 -2.045 588 HB3 LYS 72 3HB LYS 72 8.959 -1.946 -1.180 589 HG2 LYS 72 2HG LYS 72 11.334 -2.056 -1.057 590 HG3 LYS 72 3HG LYS 72 10.819 -3.313 -2.178 591 HD2 LYS 72 2HD LYS 72 12.772 -2.297 -3.115 592 HD3 LYS 72 3HD LYS 72 11.402 -1.729 -4.072 593 HE2 LYS 72 2HE LYS 72 12.902 0.131 -3.654 594 HE3 LYS 72 3HE LYS 72 11.423 0.399 -2.732 595 HZ1 LYS 72 1HZ LYS 72 12.537 -0.309 -0.740 596 HZ2 LYS 72 2HZ LYS 72 13.483 0.879 -1.482 597 HZ3 LYS 72 3HZ LYS 72 13.926 -0.748 -1.597 598 H VAL 73 H VAL 73 6.716 -3.626 -2.656 599 HA VAL 73 HA VAL 73 4.724 -1.505 -2.173 600 HB VAL 73 HB VAL 73 4.305 -2.169 -4.485 601 HG11 VAL 73 1HG1 VAL 73 3.962 -5.020 -3.503 602 HG12 VAL 73 2HG1 VAL 73 5.269 -4.410 -4.519 603 HG13 VAL 73 3HG1 VAL 73 3.618 -4.449 -5.139 604 HG21 VAL 73 1HG2 VAL 73 2.351 -1.558 -3.131 605 HG22 VAL 73 2HG2 VAL 73 2.125 -3.241 -2.650 606 HG23 VAL 73 3HG2 VAL 73 1.911 -2.769 -4.338 607 H LEU 74 H LEU 74 3.345 -1.910 -0.536 608 HA LEU 74 HA LEU 74 3.255 -4.591 0.709 609 HB2 LEU 74 2HB LEU 74 4.365 -3.031 2.200 610 HB3 LEU 74 3HB LEU 74 3.101 -1.831 1.978 611 HG LEU 74 HG LEU 74 1.494 -3.277 3.193 612 HD11 LEU 74 1HD1 LEU 74 3.805 -5.191 3.597 613 HD12 LEU 74 2HD1 LEU 74 2.344 -5.484 2.650 614 HD13 LEU 74 3HD1 LEU 74 2.233 -5.287 4.398 615 HD21 LEU 74 1HD2 LEU 74 2.441 -3.039 5.434 616 HD22 LEU 74 2HD2 LEU 74 2.766 -1.614 4.449 617 HD23 LEU 74 3HD2 LEU 74 4.049 -2.792 4.747 618 H ILE 75 H ILE 75 1.350 -5.487 0.293 619 HA ILE 75 HA ILE 75 -1.077 -3.911 -0.134 620 HB ILE 75 HB ILE 75 -0.451 -6.867 -0.563 621 HG12 ILE 75 2HG1 ILE 75 0.574 -5.431 -2.252 622 HG13 ILE 75 3HG1 ILE 75 -0.770 -6.296 -2.983 623 HG21 ILE 75 1HG2 ILE 75 -2.803 -6.698 0.115 624 HG22 ILE 75 2HG2 ILE 75 -2.687 -7.098 -1.600 625 HG23 ILE 75 3HG2 ILE 75 -3.092 -5.452 -1.105 626 HD11 ILE 75 1HD1 ILE 75 -0.685 -4.013 -3.763 627 HD12 ILE 75 2HD1 ILE 75 -0.773 -3.400 -2.114 628 HD13 ILE 75 3HD1 ILE 75 -2.152 -4.255 -2.813 629 H LEU 76 H LEU 76 -2.375 -3.573 1.494 630 HA LEU 76 HA LEU 76 -2.494 -5.412 3.803 631 HB2 LEU 76 2HB LEU 76 -3.012 -2.408 3.675 632 HB3 LEU 76 3HB LEU 76 -3.209 -3.403 5.112 633 HG LEU 76 HG LEU 76 -0.555 -2.956 3.677 634 HD11 LEU 76 1HD1 LEU 76 -1.321 -0.883 4.723 635 HD12 LEU 76 2HD1 LEU 76 0.078 -1.544 5.565 636 HD13 LEU 76 3HD1 LEU 76 -1.535 -1.722 6.262 637 HD21 LEU 76 1HD2 LEU 76 0.449 -4.015 5.653 638 HD22 LEU 76 2HD2 LEU 76 -0.645 -5.113 4.818 639 HD23 LEU 76 3HD2 LEU 76 -1.159 -4.327 6.313 640 H SER 77 H SER 77 -4.339 -6.509 3.891 641 HA SER 77 HA SER 77 -6.888 -5.293 3.082 642 HB2 SER 77 2HB SER 77 -6.010 -8.068 2.122 643 HB3 SER 77 3HB SER 77 -7.540 -7.263 1.764 644 HG SER 77 HG SER 77 -6.090 -5.573 0.803 645 H SER 78 H SER 78 -8.548 -5.976 4.377 646 HA SER 78 HA SER 78 -7.987 -7.242 6.871 647 HB2 SER 78 2HB SER 78 -10.682 -6.599 5.584 648 HB3 SER 78 3HB SER 78 -10.391 -6.923 7.298 649 HG SER 78 HG SER 78 -10.499 -4.685 6.813 650 H ASP 79 H ASP 79 -9.231 -8.295 3.790 651 HA ASP 79 HA ASP 79 -10.389 -10.760 4.791 652 HB2 ASP 79 2HB ASP 79 -11.542 -9.464 3.030 653 HB3 ASP 79 3HB ASP 79 -10.164 -9.671 1.957 654 H GLU 80 H GLU 80 -9.327 -12.558 4.975 655 HA GLU 80 HA GLU 80 -6.610 -12.964 4.398 656 HB2 GLU 80 2HB GLU 80 -7.047 -15.312 5.144 657 HB3 GLU 80 3HB GLU 80 -7.662 -14.089 6.249 658 HG2 GLU 80 2HG GLU 80 -9.938 -14.441 5.429 659 HG3 GLU 80 3HG GLU 80 -9.352 -15.599 4.237 660 H ASN 81 H ASN 81 -9.487 -13.762 2.504 661 HA ASN 81 HA ASN 81 -8.254 -15.781 0.876 662 HB2 ASN 81 2HB ASN 81 -10.731 -14.139 0.177 663 HB3 ASN 81 3HB ASN 81 -10.275 -15.711 -0.476 664 HD21 ASN 81 1HD2 ASN 81 -11.639 -14.019 2.240 665 HD22 ASN 81 2HD2 ASN 81 -12.256 -15.417 3.051 666 H ILE 82 H ILE 82 -8.681 -12.284 0.698 667 HA ILE 82 HA ILE 82 -7.663 -11.871 -1.933 668 HB ILE 82 HB ILE 82 -7.670 -9.962 0.464 669 HG12 ILE 82 2HG1 ILE 82 -9.556 -10.107 -1.931 670 HG13 ILE 82 3HG1 ILE 82 -9.943 -10.654 -0.305 671 HG21 ILE 82 1HG2 ILE 82 -7.294 -8.133 -1.180 672 HG22 ILE 82 2HG2 ILE 82 -7.118 -9.329 -2.465 673 HG23 ILE 82 3HG2 ILE 82 -5.942 -9.269 -1.152 674 HD11 ILE 82 1HD1 ILE 82 -9.357 -7.813 -1.123 675 HD12 ILE 82 2HD1 ILE 82 -9.731 -8.362 0.514 676 HD13 ILE 82 3HD1 ILE 82 -10.938 -8.507 -0.761 677 H ILE 83 H ILE 83 -6.150 -11.607 1.346 678 HA ILE 83 HA ILE 83 -3.543 -10.978 0.581 679 HB ILE 83 HB ILE 83 -4.518 -12.589 2.986 680 HG12 ILE 83 2HG1 ILE 83 -5.349 -10.240 2.859 681 HG13 ILE 83 3HG1 ILE 83 -4.277 -10.465 4.236 682 HG21 ILE 83 1HG2 ILE 83 -1.733 -11.429 2.564 683 HG22 ILE 83 2HG2 ILE 83 -2.150 -13.142 2.650 684 HG23 ILE 83 3HG2 ILE 83 -2.335 -12.117 4.073 685 HD11 ILE 83 1HD1 ILE 83 -3.547 -9.140 1.613 686 HD12 ILE 83 2HD1 ILE 83 -2.457 -9.367 2.987 687 HD13 ILE 83 3HD1 ILE 83 -3.878 -8.337 3.146 688 H GLU 84 H GLU 84 -4.998 -14.201 1.031 689 HA GLU 84 HA GLU 84 -2.810 -15.816 0.382 690 HB2 GLU 84 2HB GLU 84 -4.867 -16.714 1.410 691 HB3 GLU 84 3HB GLU 84 -5.779 -16.372 -0.061 692 HG2 GLU 84 2HG GLU 84 -4.355 -17.981 -1.310 693 HG3 GLU 84 3HG GLU 84 -3.463 -18.327 0.172 694 H SER 85 H SER 85 -5.464 -14.648 -1.758 695 HA SER 85 HA SER 85 -4.651 -15.762 -4.169 696 HB2 SER 85 2HB SER 85 -6.043 -13.096 -3.704 697 HB3 SER 85 3HB SER 85 -5.941 -13.917 -5.266 698 HG SER 85 HG SER 85 -7.697 -14.287 -3.318 699 H ILE 86 H ILE 86 -3.668 -12.727 -2.677 700 HA ILE 86 HA ILE 86 -2.194 -11.759 -4.920 701 HB ILE 86 HB ILE 86 -2.275 -10.826 -2.010 702 HG12 ILE 86 2HG1 ILE 86 -4.453 -10.578 -3.100 703 HG13 ILE 86 3HG1 ILE 86 -3.733 -8.985 -2.927 704 HG21 ILE 86 1HG2 ILE 86 -0.189 -10.042 -2.999 705 HG22 ILE 86 2HG2 ILE 86 -1.303 -8.686 -2.825 706 HG23 ILE 86 3HG2 ILE 86 -1.049 -9.423 -4.409 707 HD11 ILE 86 1HD1 ILE 86 -3.879 -10.619 -5.466 708 HD12 ILE 86 2HD1 ILE 86 -3.092 -9.044 -5.314 709 HD13 ILE 86 3HD1 ILE 86 -4.828 -9.192 -5.057 710 H ARG 87 H ARG 87 -1.351 -13.647 -2.021 711 HA ARG 87 HA ARG 87 1.493 -13.501 -2.398 712 HB2 ARG 87 2HB ARG 87 -0.178 -15.542 -0.852 713 HB3 ARG 87 3HB ARG 87 1.583 -15.460 -0.816 714 HG2 ARG 87 2HG ARG 87 1.311 -13.066 0.048 715 HG3 ARG 87 3HG ARG 87 -0.392 -13.448 0.275 716 HD2 ARG 87 2HD ARG 87 1.936 -14.896 1.577 717 HD3 ARG 87 3HD ARG 87 0.896 -13.704 2.356 718 HE ARG 87 HE ARG 87 -0.514 -16.005 1.293 719 HH11 ARG 87 1HH1 ARG 87 1.172 -14.738 4.133 720 HH12 ARG 87 2HH1 ARG 87 0.388 -15.825 5.233 721 HH21 ARG 87 1HH2 ARG 87 -1.499 -17.456 2.759 722 HH22 ARG 87 2HH2 ARG 87 -1.129 -17.370 4.456 723 H LYS 88 H LYS 88 -1.010 -15.878 -3.359 724 HA LYS 88 HA LYS 88 0.919 -17.806 -4.280 725 HB2 LYS 88 2HB LYS 88 -0.972 -19.183 -4.942 726 HB3 LYS 88 3HB LYS 88 -1.239 -18.529 -3.332 727 HG2 LYS 88 2HG LYS 88 -2.784 -16.851 -4.251 728 HG3 LYS 88 3HG LYS 88 -2.510 -17.470 -5.880 729 HD2 LYS 88 2HD LYS 88 -3.738 -19.045 -3.579 730 HD3 LYS 88 3HD LYS 88 -4.637 -18.297 -4.899 731 HE2 LYS 88 2HE LYS 88 -3.441 -19.769 -6.516 732 HE3 LYS 88 3HE LYS 88 -2.607 -20.546 -5.168 733 HZ1 LYS 88 1HZ LYS 88 -5.546 -20.535 -5.621 734 HZ2 LYS 88 2HZ LYS 88 -4.763 -21.264 -4.312 735 HZ3 LYS 88 3HZ LYS 88 -4.504 -21.841 -5.877 736 H GLN 89 H GLN 89 -1.029 -15.303 -5.851 737 HA GLN 89 HA GLN 89 -0.230 -16.106 -8.534 738 HB2 GLN 89 2HB GLN 89 -1.719 -13.623 -7.554 739 HB3 GLN 89 3HB GLN 89 -1.450 -14.035 -9.247 740 HG2 GLN 89 2HG GLN 89 -2.799 -16.070 -8.989 741 HG3 GLN 89 3HG GLN 89 -3.046 -15.706 -7.280 742 HE21 GLN 89 1HE2 GLN 89 -4.411 -13.938 -6.723 743 HE22 GLN 89 2HE2 GLN 89 -5.546 -13.280 -7.847 744 H TYR 90 H TYR 90 0.525 -13.465 -6.241 745 HA TYR 90 HA TYR 90 2.859 -12.688 -7.919 746 HB2 TYR 90 2HB TYR 90 1.497 -10.900 -5.859 747 HB3 TYR 90 3HB TYR 90 2.636 -10.431 -7.114 748 HD1 TYR 90 HD1 TYR 90 1.857 -10.379 -9.545 749 HD2 TYR 90 HD2 TYR 90 -0.881 -11.000 -6.314 750 HE1 TYR 90 HE1 TYR 90 -0.027 -9.812 -11.020 751 HE2 TYR 90 HE2 TYR 90 -2.761 -10.435 -7.798 752 HH TYR 90 HH TYR 90 -2.446 -10.244 -11.172 753 HA PRO 91 HA PRO 91 4.731 -14.558 -4.105 754 HB2 PRO 91 2HB PRO 91 7.168 -14.727 -5.831 755 HB3 PRO 91 3HB PRO 91 6.318 -16.012 -4.948 756 HG2 PRO 91 2HG PRO 91 6.229 -15.830 -7.633 757 HG3 PRO 91 3HG PRO 91 4.860 -16.447 -6.681 758 HD2 PRO 91 2HD PRO 91 5.213 -13.738 -7.949 759 HD3 PRO 91 3HD PRO 91 3.759 -14.753 -7.823 760 H LYS 92 H LYS 92 6.059 -12.141 -6.280 761 HA LYS 92 HA LYS 92 8.218 -11.299 -4.592 762 HB2 LYS 92 2HB LYS 92 7.089 -10.047 -7.127 763 HB3 LYS 92 3HB LYS 92 8.648 -9.659 -6.397 764 HG2 LYS 92 2HG LYS 92 9.430 -11.965 -6.803 765 HG3 LYS 92 3HG LYS 92 7.866 -12.376 -7.519 766 HD2 LYS 92 2HD LYS 92 8.243 -10.723 -9.324 767 HD3 LYS 92 3HD LYS 92 9.787 -10.265 -8.598 768 HE2 LYS 92 2HE LYS 92 10.646 -12.549 -8.985 769 HE3 LYS 92 3HE LYS 92 9.101 -13.013 -9.704 770 HZ1 LYS 92 1HZ LYS 92 10.706 -12.485 -11.404 771 HZ2 LYS 92 2HZ LYS 92 10.961 -10.945 -10.753 772 HZ3 LYS 92 3HZ LYS 92 9.463 -11.339 -11.424 773 H VAL 93 H VAL 93 4.972 -10.536 -4.303 774 HA VAL 93 HA VAL 93 5.329 -7.730 -3.534 775 HB VAL 93 HB VAL 93 3.277 -8.441 -4.763 776 HG11 VAL 93 1HG1 VAL 93 3.001 -10.690 -3.799 777 HG12 VAL 93 2HG1 VAL 93 1.513 -9.755 -3.706 778 HG13 VAL 93 3HG1 VAL 93 2.506 -9.979 -2.264 779 HG21 VAL 93 1HG2 VAL 93 3.182 -6.428 -3.339 780 HG22 VAL 93 2HG2 VAL 93 2.633 -7.402 -1.979 781 HG23 VAL 93 3HG2 VAL 93 1.616 -7.235 -3.413 782 H GLU 94 H GLU 94 5.210 -6.957 -1.421 783 HA GLU 94 HA GLU 94 5.277 -8.802 0.839 784 HB2 GLU 94 2HB GLU 94 5.518 -5.789 0.510 785 HB3 GLU 94 3HB GLU 94 5.163 -6.461 2.094 786 HG2 GLU 94 2HG GLU 94 7.560 -5.958 1.739 787 HG3 GLU 94 3HG GLU 94 7.224 -7.628 2.177 788 H THR 95 H THR 95 3.353 -9.572 1.629 789 HA THR 95 HA THR 95 1.027 -7.718 1.702 790 HB THR 95 HB THR 95 -0.441 -9.734 1.826 791 HG1 THR 95 HG1 THR 95 1.645 -11.389 0.969 792 HG21 THR 95 1HG2 THR 95 -0.036 -8.718 -0.397 793 HG22 THR 95 2HG2 THR 95 -0.259 -10.464 -0.516 794 HG23 THR 95 3HG2 THR 95 1.362 -9.777 -0.621 795 H ARG 96 H ARG 96 -0.197 -7.737 3.577 796 HA ARG 96 HA ARG 96 0.388 -9.495 5.805 797 HB2 ARG 96 2HB ARG 96 1.975 -7.612 6.223 798 HB3 ARG 96 3HB ARG 96 0.657 -6.457 6.083 799 HG2 ARG 96 2HG ARG 96 -0.413 -7.721 8.098 800 HG3 ARG 96 3HG ARG 96 1.181 -8.455 8.304 801 HD2 ARG 96 2HD ARG 96 2.157 -6.152 8.457 802 HD3 ARG 96 3HD ARG 96 0.526 -5.493 8.377 803 HE ARG 96 HE ARG 96 1.865 -6.567 10.651 804 HH11 ARG 96 1HH1 ARG 96 -1.397 -6.252 9.333 805 HH12 ARG 96 2HH1 ARG 96 -2.145 -6.314 10.895 806 HH21 ARG 96 1HH2 ARG 96 0.858 -6.543 12.668 807 HH22 ARG 96 2HH2 ARG 96 -0.873 -6.475 12.777 808 H ARG 97 H ARG 97 -1.569 -10.070 6.538 809 HA ARG 97 HA ARG 97 -4.008 -8.837 5.845 810 HB2 ARG 97 2HB ARG 97 -3.723 -11.232 6.668 811 HB3 ARG 97 3HB ARG 97 -3.496 -10.587 8.289 812 HG2 ARG 97 2HG ARG 97 -5.809 -9.498 8.016 813 HG3 ARG 97 3HG ARG 97 -6.000 -10.512 6.584 814 HD2 ARG 97 2HD ARG 97 -5.645 -11.407 9.461 815 HD3 ARG 97 3HD ARG 97 -7.057 -11.630 8.427 816 HE ARG 97 HE ARG 97 -4.566 -12.900 7.571 817 HH11 ARG 97 1HH1 ARG 97 -7.693 -13.354 9.118 818 HH12 ARG 97 2HH1 ARG 97 -7.665 -15.079 8.935 819 HH21 ARG 97 1HH2 ARG 97 -4.517 -15.129 7.345 820 HH22 ARG 97 2HH2 ARG 97 -5.843 -16.086 7.923 821 H ALA 98 H ALA 98 -4.776 -6.952 6.589 822 HA ALA 98 HA ALA 98 -4.091 -5.974 9.290 823 HB1 ALA 98 1HB ALA 98 -3.734 -3.696 8.389 824 HB2 ALA 98 2HB ALA 98 -3.912 -4.308 6.740 825 HB3 ALA 98 3HB ALA 98 -2.552 -4.830 7.734 826 H GLN 99 H GLN 99 -6.022 -6.101 10.167 827 HA GLN 99 HA GLN 99 -8.471 -5.787 8.633 828 HB2 GLN 99 2HB GLN 99 -8.045 -6.411 11.592 829 HB3 GLN 99 3HB GLN 99 -9.586 -6.496 10.741 830 HG2 GLN 99 2HG GLN 99 -8.858 -8.367 9.421 831 HG3 GLN 99 3HG GLN 99 -7.191 -8.189 9.973 832 HE21 GLN 99 1HE2 GLN 99 -6.673 -8.809 12.117 833 HE22 GLN 99 2HE2 GLN 99 -7.678 -9.889 13.015 834 H ASP 100 H ASP 100 -7.147 -4.371 11.640 835 HA ASP 100 HA ASP 100 -8.948 -2.065 11.358 836 HB2 ASP 100 2HB ASP 100 -8.642 -3.338 13.561 837 HB3 ASP 100 3HB ASP 100 -7.022 -2.663 13.655 838 H LYS 101 H LYS 101 -8.128 0.064 11.623 839 HA LYS 101 HA LYS 101 -6.200 0.999 9.888 840 HB2 LYS 101 2HB LYS 101 -6.533 3.171 11.065 841 HB3 LYS 101 3HB LYS 101 -8.064 2.342 10.780 842 HG2 LYS 101 2HG LYS 101 -7.901 1.423 13.131 843 HG3 LYS 101 3HG LYS 101 -6.521 2.494 13.382 844 HD2 LYS 101 2HD LYS 101 -7.945 4.452 13.045 845 HD3 LYS 101 3HD LYS 101 -9.332 3.412 12.679 846 HE2 LYS 101 2HE LYS 101 -7.807 3.388 15.306 847 HE3 LYS 101 3HE LYS 101 -9.329 4.246 15.037 848 HZ1 LYS 101 1HZ LYS 101 -10.419 2.151 14.613 849 HZ2 LYS 101 2HZ LYS 101 -9.623 2.071 16.100 850 HZ3 LYS 101 3HZ LYS 101 -8.959 1.306 14.748 851 H GLU 102 H GLU 102 -5.817 0.038 13.266 852 HA GLU 102 HA GLU 102 -3.342 1.316 13.783 853 HB2 GLU 102 2HB GLU 102 -3.155 -0.247 15.729 854 HB3 GLU 102 3HB GLU 102 -4.674 0.637 15.673 855 HG2 GLU 102 2HG GLU 102 -5.852 -1.301 14.853 856 HG3 GLU 102 3HG GLU 102 -4.352 -2.223 14.709 857 H GLU 103 H GLU 103 -4.198 -1.929 12.702 858 HA GLU 103 HA GLU 103 -1.617 -3.026 12.524 859 HB2 GLU 103 2HB GLU 103 -4.099 -3.745 10.918 860 HB3 GLU 103 3HB GLU 103 -2.657 -4.743 11.106 861 HG2 GLU 103 2HG GLU 103 -3.119 -4.773 13.603 862 HG3 GLU 103 3HG GLU 103 -4.668 -3.996 13.240 863 H VAL 104 H VAL 104 -3.452 -0.988 10.370 864 HA VAL 104 HA VAL 104 -1.924 -1.358 8.003 865 HB VAL 104 HB VAL 104 -3.589 1.066 8.837 866 HG11 VAL 104 1HG1 VAL 104 -2.051 1.584 6.979 867 HG12 VAL 104 2HG1 VAL 104 -3.724 1.578 6.428 868 HG13 VAL 104 3HG1 VAL 104 -2.677 0.209 6.066 869 HG21 VAL 104 1HG2 VAL 104 -4.942 -0.991 8.865 870 HG22 VAL 104 2HG2 VAL 104 -4.432 -1.369 7.219 871 HG23 VAL 104 3HG2 VAL 104 -5.428 0.055 7.528 872 H LYS 105 H LYS 105 -1.950 1.294 10.442 873 HA LYS 105 HA LYS 105 0.237 2.685 9.275 874 HB2 LYS 105 2HB LYS 105 0.163 4.128 11.281 875 HB3 LYS 105 3HB LYS 105 -1.427 3.900 10.566 876 HG2 LYS 105 2HG LYS 105 -1.933 2.188 12.311 877 HG3 LYS 105 3HG LYS 105 -0.369 2.531 13.061 878 HD2 LYS 105 2HD LYS 105 -1.077 4.880 13.452 879 HD3 LYS 105 3HD LYS 105 -2.636 4.538 12.696 880 HE2 LYS 105 2HE LYS 105 -3.104 2.863 14.464 881 HE3 LYS 105 3HE LYS 105 -1.569 3.254 15.237 882 HZ1 LYS 105 1HZ LYS 105 -2.358 5.454 15.666 883 HZ2 LYS 105 2HZ LYS 105 -3.510 4.352 16.236 884 HZ3 LYS 105 3HZ LYS 105 -3.775 5.178 14.788 885 H ASP 106 H ASP 106 0.067 0.366 12.007 886 HA ASP 106 HA ASP 106 2.723 0.314 12.785 887 HB2 ASP 106 2HB ASP 106 0.733 -1.982 12.545 888 HB3 ASP 106 3HB ASP 106 2.337 -2.200 13.235 889 H ALA 107 H ALA 107 1.159 -1.560 10.170 890 HA ALA 107 HA ALA 107 3.425 -2.962 9.255 891 HB1 ALA 107 1HB ALA 107 2.065 -3.475 7.280 892 HB2 ALA 107 2HB ALA 107 0.918 -2.202 7.715 893 HB3 ALA 107 3HB ALA 107 1.102 -3.619 8.750 894 H VAL 108 H VAL 108 2.129 0.204 8.459 895 HA VAL 108 HA VAL 108 3.688 0.868 6.221 896 HB VAL 108 HB VAL 108 2.385 2.590 8.386 897 HG11 VAL 108 1HG1 VAL 108 2.763 4.565 6.945 898 HG12 VAL 108 2HG1 VAL 108 3.732 3.582 5.847 899 HG13 VAL 108 3HG1 VAL 108 4.291 3.871 7.495 900 HG21 VAL 108 1HG2 VAL 108 0.864 1.346 6.854 901 HG22 VAL 108 2HG2 VAL 108 1.627 2.127 5.473 902 HG23 VAL 108 3HG2 VAL 108 0.722 3.092 6.640 903 H GLU 109 H GLU 109 4.207 1.497 9.702 904 HA GLU 109 HA GLU 109 6.721 2.751 9.511 905 HB2 GLU 109 2HB GLU 109 5.220 2.769 11.552 906 HB3 GLU 109 3HB GLU 109 5.683 1.097 11.861 907 HG2 GLU 109 2HG GLU 109 8.102 1.923 11.963 908 HG3 GLU 109 3HG GLU 109 7.454 3.560 11.946 909 H GLU 110 H GLU 110 5.804 -0.658 9.938 910 HA GLU 110 HA GLU 110 8.334 -1.818 10.263 911 HB2 GLU 110 2HB GLU 110 5.847 -3.002 8.955 912 HB3 GLU 110 3HB GLU 110 7.243 -3.931 9.479 913 HG2 GLU 110 2HG GLU 110 5.346 -2.386 11.257 914 HG3 GLU 110 3HG GLU 110 5.410 -4.132 11.067 915 H PHE 111 H PHE 111 6.422 -1.204 7.339 916 HA PHE 111 HA PHE 111 8.007 -2.450 5.396 917 HB2 PHE 111 2HB PHE 111 5.647 -1.739 5.066 918 HB3 PHE 111 3HB PHE 111 6.130 -0.052 5.148 919 HD1 PHE 111 HD1 PHE 111 6.890 -3.143 3.174 920 HD2 PHE 111 HD2 PHE 111 6.388 1.071 3.093 921 HE1 PHE 111 HE1 PHE 111 7.115 -3.181 0.748 922 HE2 PHE 111 HE2 PHE 111 6.623 1.048 0.654 923 HZ PHE 111 HZ PHE 111 6.987 -1.074 -0.530 924 H LEU 112 H LEU 112 8.032 0.869 6.657 925 HA LEU 112 HA LEU 112 9.961 1.836 4.756 926 HB2 LEU 112 2HB LEU 112 8.985 3.193 7.297 927 HB3 LEU 112 3HB LEU 112 9.836 3.960 5.963 928 HG LEU 112 HG LEU 112 6.989 2.911 5.995 929 HD11 LEU 112 1HD1 LEU 112 7.256 5.164 6.813 930 HD12 LEU 112 2HD1 LEU 112 6.413 5.174 5.269 931 HD13 LEU 112 3HD1 LEU 112 8.117 5.636 5.349 932 HD21 LEU 112 1HD2 LEU 112 7.928 2.111 3.907 933 HD22 LEU 112 2HD2 LEU 112 8.540 3.722 3.528 934 HD23 LEU 112 3HD2 LEU 112 6.801 3.430 3.604 935 H LYS 113 H LYS 113 10.137 0.787 8.164 936 HA LYS 113 HA LYS 113 12.848 1.573 8.613 937 HB2 LYS 113 2HB LYS 113 11.147 -0.530 10.014 938 HB3 LYS 113 3HB LYS 113 12.735 -0.013 10.575 939 HG2 LYS 113 2HG LYS 113 11.877 2.280 10.912 940 HG3 LYS 113 3HG LYS 113 10.281 1.770 10.354 941 HD2 LYS 113 2HD LYS 113 11.730 0.753 12.839 942 HD3 LYS 113 3HD LYS 113 10.344 1.845 12.813 943 HE2 LYS 113 2HE LYS 113 8.970 0.037 11.781 944 HE3 LYS 113 3HE LYS 113 10.355 -1.052 11.885 945 HZ1 LYS 113 1HZ LYS 113 8.953 0.218 14.170 946 HZ2 LYS 113 2HZ LYS 113 10.312 -0.781 14.300 947 HZ3 LYS 113 3HZ LYS 113 8.858 -1.407 13.713 948 H GLU 114 H GLU 114 11.326 -1.370 7.395 949 HA GLU 114 HA GLU 114 13.775 -2.880 7.146 950 HB2 GLU 114 2HB GLU 114 10.990 -3.354 5.988 951 HB3 GLU 114 3HB GLU 114 12.324 -4.499 5.889 952 HG2 GLU 114 2HG GLU 114 10.981 -3.539 8.432 953 HG3 GLU 114 3HG GLU 114 10.761 -5.112 7.669 954 H GLY 115 H GLY 115 12.228 -0.444 5.296 955 HA2 GLY 115 2HA GLY 115 12.910 0.656 3.395 956 HA3 GLY 115 3HA GLY 115 14.280 -0.439 3.271 957 H GLY 116 H GLY 116 11.208 -1.927 3.545 958 HA2 GLY 116 2HA GLY 116 9.886 -2.096 1.287 959 HA3 GLY 116 3HA GLY 116 11.365 -2.913 0.784 960 H SER 117 H SER 117 11.842 -4.968 1.617 961 HA SER 117 HA SER 117 9.568 -6.570 2.057 962 HB2 SER 117 2HB SER 117 11.654 -7.320 0.870 963 HB3 SER 117 3HB SER 117 12.466 -7.415 2.432 964 HG SER 117 HG SER 117 10.264 -8.924 1.487 965 H LEU 118 H LEU 118 8.428 -6.558 3.894 966 HA LEU 118 HA LEU 118 9.422 -6.011 6.501 967 HB2 LEU 118 2HB LEU 118 6.831 -7.444 5.738 968 HB3 LEU 118 3HB LEU 118 7.229 -6.855 7.339 969 HG LEU 118 HG LEU 118 7.318 -4.474 6.198 970 HD11 LEU 118 1HD1 LEU 118 5.669 -5.970 4.159 971 HD12 LEU 118 2HD1 LEU 118 7.232 -5.192 3.889 972 HD13 LEU 118 3HD1 LEU 118 5.820 -4.215 4.287 973 HD21 LEU 118 1HD2 LEU 118 4.651 -5.881 6.570 974 HD22 LEU 118 2HD2 LEU 118 4.929 -4.136 6.592 975 HD23 LEU 118 3HD2 LEU 118 5.617 -5.151 7.856 976 H GLU 119 H GLU 119 8.861 -7.685 8.314 977 HA GLU 119 HA GLU 119 10.422 -10.105 7.884 978 HB2 GLU 119 2HB GLU 119 8.990 -9.126 10.401 979 HB3 GLU 119 3HB GLU 119 10.212 -10.395 10.320 980 HG2 GLU 119 2HG GLU 119 11.881 -8.703 9.572 981 HG3 GLU 119 3HG GLU 119 10.651 -7.450 9.735 982 H HIS 120 H HIS 120 7.828 -9.883 6.491 983 HA HIS 120 HA HIS 120 5.892 -11.534 7.822 984 HB2 HIS 120 2HB HIS 120 4.521 -11.309 5.810 985 HB3 HIS 120 3HB HIS 120 5.183 -9.744 6.242 986 HD1 HIS 120 HD1 HIS 120 4.634 -11.850 3.402 987 HD2 HIS 120 HD2 HIS 120 7.574 -9.107 4.473 988 HE1 HIS 120 HE1 HIS 120 5.809 -11.244 1.269 989 HE2 HIS 120 HE2 HIS 120 7.658 -9.682 1.955 990 H HIS 121 H HIS 121 7.292 -13.258 8.323 991 HA HIS 121 HA HIS 121 8.544 -14.985 6.487 992 HB2 HIS 121 2HB HIS 121 8.470 -16.682 8.361 993 HB3 HIS 121 3HB HIS 121 9.150 -15.127 8.816 994 HD1 HIS 121 HD1 HIS 121 6.156 -17.324 9.437 995 HD2 HIS 121 HD2 HIS 121 7.716 -13.717 10.772 996 HE1 HIS 121 HE1 HIS 121 4.849 -16.744 11.499 997 HE2 HIS 121 HE2 HIS 121 5.733 -14.498 12.207 998 H HIS 122 H HIS 122 7.852 -16.773 5.402 999 HA HIS 122 HA HIS 122 5.245 -16.686 4.362 1000 HB2 HIS 122 2HB HIS 122 7.343 -18.881 4.145 1001 HB3 HIS 122 3HB HIS 122 5.877 -18.811 3.173 1002 HD1 HIS 122 HD1 HIS 122 6.017 -17.519 1.042 1003 HD2 HIS 122 HD2 HIS 122 9.175 -16.648 3.596 1004 HE1 HIS 122 HE1 HIS 122 7.600 -16.105 -0.294 1005 HE2 HIS 122 HE2 HIS 122 9.401 -15.449 1.330 1006 H HIS 123 H HIS 123 3.450 -17.990 4.617 1007 HA HIS 123 HA HIS 123 2.765 -18.870 7.160 1008 HB2 HIS 123 2HB HIS 123 0.698 -19.705 6.201 1009 HB3 HIS 123 3HB HIS 123 1.126 -18.211 5.383 1010 HD1 HIS 123 HD1 HIS 123 -0.225 -21.371 4.635 1011 HD2 HIS 123 HD2 HIS 123 2.647 -18.992 2.802 1012 HE1 HIS 123 HE1 HIS 123 -0.105 -22.162 2.252 1013 HE2 HIS 123 HE2 HIS 123 1.679 -20.744 1.187 1014 H HIS 124 H HIS 124 4.022 -20.705 4.430 1015 HA HIS 124 HA HIS 124 5.216 -22.629 6.221 1016 HB2 HIS 124 2HB HIS 124 3.247 -23.530 4.069 1017 HB3 HIS 124 3HB HIS 124 4.494 -24.600 4.702 1018 HD1 HIS 124 HD1 HIS 124 4.374 -24.669 7.524 1019 HD2 HIS 124 HD2 HIS 124 0.893 -23.903 5.384 1020 HE1 HIS 124 HE1 HIS 124 2.483 -25.138 9.118 1021 HE2 HIS 124 HE2 HIS 124 0.397 -24.778 7.756 1022 H HIS 125 H HIS 125 6.917 -23.854 5.132 1023 HA HIS 125 HA HIS 125 8.249 -22.279 3.066 1024 HB2 HIS 125 2HB HIS 125 9.550 -23.043 5.013 1025 HB3 HIS 125 3HB HIS 125 9.187 -24.723 4.633 1026 HD1 HIS 125 HD1 HIS 125 11.304 -21.822 3.499 1027 HD2 HIS 125 HD2 HIS 125 10.805 -25.853 2.607 1028 HE1 HIS 125 HE1 HIS 125 13.247 -22.436 2.034 1029 HE2 HIS 125 HE2 HIS 125 12.881 -24.855 1.454 Start of MODEL 19 1 H1 MET 1 1H MET 1 17.109 8.565 -5.251 2 H2 MET 1 2H MET 1 15.483 8.145 -5.072 3 H3 MET 1 3H MET 1 16.661 7.374 -4.138 4 HA MET 1 HA MET 1 17.184 9.429 -3.026 5 HB2 MET 1 2HB MET 1 14.786 10.564 -4.535 6 HB3 MET 1 3HB MET 1 15.765 11.419 -3.349 7 HG2 MET 1 2HG MET 1 17.700 11.294 -4.888 8 HG3 MET 1 3HG MET 1 16.680 10.474 -6.075 9 HE1 MET 1 1HE MET 1 17.015 13.963 -7.771 10 HE2 MET 1 2HE MET 1 17.184 12.218 -7.964 11 HE3 MET 1 3HE MET 1 18.281 13.101 -6.900 12 H GLY 2 H GLY 2 13.880 8.514 -3.984 13 HA2 GLY 2 2HA GLY 2 12.793 6.958 -2.273 14 HA3 GLY 2 3HA GLY 2 13.048 8.297 -1.152 15 H LYS 3 H LYS 3 10.571 7.097 -1.997 16 HA LYS 3 HA LYS 3 8.992 9.419 -2.128 17 HB2 LYS 3 2HB LYS 3 9.561 9.375 -4.572 18 HB3 LYS 3 3HB LYS 3 8.962 7.734 -4.684 19 HG2 LYS 3 2HG LYS 3 7.116 8.810 -5.506 20 HG3 LYS 3 3HG LYS 3 6.687 8.888 -3.803 21 HD2 LYS 3 2HD LYS 3 8.066 11.110 -5.358 22 HD3 LYS 3 3HD LYS 3 6.334 11.027 -5.062 23 HE2 LYS 3 2HE LYS 3 6.711 11.218 -2.650 24 HE3 LYS 3 3HE LYS 3 8.460 11.229 -2.913 25 HZ1 LYS 3 1HZ LYS 3 8.256 13.301 -4.103 26 HZ2 LYS 3 2HZ LYS 3 7.525 13.464 -2.586 27 HZ3 LYS 3 3HZ LYS 3 6.571 13.269 -3.965 28 H VAL 4 H VAL 4 8.221 8.398 -0.305 29 HA VAL 4 HA VAL 4 6.910 5.805 -0.447 30 HB VAL 4 HB VAL 4 6.739 7.774 1.893 31 HG11 VAL 4 1HG1 VAL 4 6.476 4.740 1.802 32 HG12 VAL 4 2HG1 VAL 4 5.138 5.889 1.890 33 HG13 VAL 4 3HG1 VAL 4 6.282 5.767 3.225 34 HG21 VAL 4 1HG2 VAL 4 8.676 6.668 2.942 35 HG22 VAL 4 2HG2 VAL 4 9.133 7.452 1.429 36 HG23 VAL 4 3HG2 VAL 4 8.933 5.701 1.487 37 H VAL 5 H VAL 5 4.897 5.691 -1.235 38 HA VAL 5 HA VAL 5 3.035 7.977 -0.888 39 HB VAL 5 HB VAL 5 3.215 6.026 -3.250 40 HG11 VAL 5 1HG1 VAL 5 1.354 7.312 -4.246 41 HG12 VAL 5 2HG1 VAL 5 1.200 8.254 -2.762 42 HG13 VAL 5 3HG1 VAL 5 0.864 6.520 -2.748 43 HG21 VAL 5 1HG2 VAL 5 3.696 9.035 -3.143 44 HG22 VAL 5 2HG2 VAL 5 3.743 8.036 -4.597 45 HG23 VAL 5 3HG2 VAL 5 4.938 7.793 -3.324 46 H PHE 6 H PHE 6 1.481 7.444 0.526 47 HA PHE 6 HA PHE 6 0.591 4.656 0.777 48 HB2 PHE 6 2HB PHE 6 0.987 5.970 2.880 49 HB3 PHE 6 3HB PHE 6 -0.299 7.086 2.410 50 HD1 PHE 6 HD1 PHE 6 0.321 3.420 2.906 51 HD2 PHE 6 HD2 PHE 6 -2.501 6.622 3.214 52 HE1 PHE 6 HE1 PHE 6 -1.325 1.876 3.868 53 HE2 PHE 6 HE2 PHE 6 -4.143 5.064 4.186 54 HZ PHE 6 HZ PHE 6 -3.554 2.691 4.497 55 H LEU 7 H LEU 7 -1.225 3.984 -0.072 56 HA LEU 7 HA LEU 7 -3.202 5.846 -1.236 57 HB2 LEU 7 2HB LEU 7 -1.875 4.893 -3.056 58 HB3 LEU 7 3HB LEU 7 -2.035 3.277 -2.391 59 HG LEU 7 HG LEU 7 -4.477 3.324 -2.901 60 HD11 LEU 7 1HD1 LEU 7 -5.418 5.071 -4.348 61 HD12 LEU 7 2HD1 LEU 7 -3.915 5.987 -4.237 62 HD13 LEU 7 3HD1 LEU 7 -4.899 5.722 -2.795 63 HD21 LEU 7 1HD2 LEU 7 -2.711 3.854 -5.313 64 HD22 LEU 7 2HD2 LEU 7 -4.265 3.016 -5.318 65 HD23 LEU 7 3HD2 LEU 7 -2.889 2.305 -4.481 66 H SER 8 H SER 8 -5.198 5.479 -0.347 67 HA SER 8 HA SER 8 -6.080 2.765 0.203 68 HB2 SER 8 2HB SER 8 -5.079 3.368 2.369 69 HB3 SER 8 3HB SER 8 -6.011 4.860 2.417 70 HG SER 8 HG SER 8 -7.048 2.208 2.475 71 H ASP 9 H ASP 9 -8.311 2.584 0.384 72 HA ASP 9 HA ASP 9 -9.854 4.687 -0.931 73 HB2 ASP 9 2HB ASP 9 -10.059 2.319 -1.671 74 HB3 ASP 9 3HB ASP 9 -10.616 1.857 -0.069 75 H ASP 10 H ASP 10 -9.233 3.425 2.197 76 HA ASP 10 HA ASP 10 -11.767 4.245 3.427 77 HB2 ASP 10 2HB ASP 10 -9.411 2.995 4.858 78 HB3 ASP 10 3HB ASP 10 -11.110 2.901 5.277 79 H GLN 11 H GLN 11 -11.944 6.005 4.776 80 HA GLN 11 HA GLN 11 -10.047 8.075 4.641 81 HB2 GLN 11 2HB GLN 11 -12.453 8.515 4.801 82 HB3 GLN 11 3HB GLN 11 -12.499 7.830 6.421 83 HG2 GLN 11 2HG GLN 11 -12.547 10.273 6.511 84 HG3 GLN 11 3HG GLN 11 -11.071 9.657 7.246 85 HE21 GLN 11 1HE2 GLN 11 -9.072 10.078 6.219 86 HE22 GLN 11 2HE2 GLN 11 -8.922 11.274 4.983 87 H GLU 12 H GLU 12 -11.056 6.246 7.639 88 HA GLU 12 HA GLU 12 -9.352 7.699 9.373 89 HB2 GLU 12 2HB GLU 12 -10.435 4.891 9.830 90 HB3 GLU 12 3HB GLU 12 -9.697 5.925 11.049 91 HG2 GLU 12 2HG GLU 12 -11.610 7.603 10.449 92 HG3 GLU 12 3HG GLU 12 -12.387 6.190 9.730 93 H ILE 13 H ILE 13 -8.909 4.697 7.637 94 HA ILE 13 HA ILE 13 -6.469 3.788 8.483 95 HB ILE 13 HB ILE 13 -7.560 3.941 5.644 96 HG12 ILE 13 2HG1 ILE 13 -9.034 2.707 7.229 97 HG13 ILE 13 3HG1 ILE 13 -8.384 1.657 5.984 98 HG21 ILE 13 1HG2 ILE 13 -5.129 3.552 5.626 99 HG22 ILE 13 2HG2 ILE 13 -6.034 2.167 5.034 100 HG23 ILE 13 3HG2 ILE 13 -5.353 2.138 6.659 101 HD11 ILE 13 1HD1 ILE 13 -7.463 1.805 8.841 102 HD12 ILE 13 2HD1 ILE 13 -6.791 0.752 7.598 103 HD13 ILE 13 3HD1 ILE 13 -8.463 0.551 8.114 104 H ILE 14 H ILE 14 -7.006 6.193 5.834 105 HA ILE 14 HA ILE 14 -4.318 6.878 5.356 106 HB ILE 14 HB ILE 14 -6.797 8.622 4.931 107 HG12 ILE 14 2HG1 ILE 14 -5.282 6.807 2.998 108 HG13 ILE 14 3HG1 ILE 14 -6.896 6.520 3.634 109 HG21 ILE 14 1HG2 ILE 14 -5.436 9.956 3.348 110 HG22 ILE 14 2HG2 ILE 14 -4.017 8.992 3.752 111 HG23 ILE 14 3HG2 ILE 14 -4.754 10.022 4.977 112 HD11 ILE 14 1HD1 ILE 14 -6.079 8.726 1.752 113 HD12 ILE 14 2HD1 ILE 14 -7.690 8.532 2.452 114 HD13 ILE 14 3HD1 ILE 14 -7.040 7.294 1.373 115 H GLU 15 H GLU 15 -6.670 8.176 7.684 116 HA GLU 15 HA GLU 15 -5.191 10.419 8.599 117 HB2 GLU 15 2HB GLU 15 -7.336 8.794 10.024 118 HB3 GLU 15 3HB GLU 15 -6.739 10.358 10.568 119 HG2 GLU 15 2HG GLU 15 -7.554 11.382 8.435 120 HG3 GLU 15 3HG GLU 15 -8.210 9.809 7.975 121 H GLU 16 H GLU 16 -5.276 7.055 9.674 122 HA GLU 16 HA GLU 16 -3.718 7.396 12.051 123 HB2 GLU 16 2HB GLU 16 -4.479 4.930 10.429 124 HB3 GLU 16 3HB GLU 16 -3.588 4.847 11.943 125 HG2 GLU 16 2HG GLU 16 -6.382 5.929 11.572 126 HG3 GLU 16 3HG GLU 16 -5.940 4.396 12.305 127 H VAL 17 H VAL 17 -2.992 6.237 8.767 128 HA VAL 17 HA VAL 17 -0.229 5.711 9.195 129 HB VAL 17 HB VAL 17 -1.805 6.254 6.638 130 HG11 VAL 17 1HG1 VAL 17 0.107 5.226 5.410 131 HG12 VAL 17 2HG1 VAL 17 1.051 5.244 6.898 132 HG13 VAL 17 3HG1 VAL 17 0.536 6.763 6.165 133 HG21 VAL 17 1HG2 VAL 17 -1.728 3.807 6.363 134 HG22 VAL 17 2HG2 VAL 17 -2.515 4.249 7.877 135 HG23 VAL 17 3HG2 VAL 17 -0.853 3.650 7.887 136 H SER 18 H SER 18 -2.032 8.545 8.086 137 HA SER 18 HA SER 18 0.069 10.262 7.406 138 HB2 SER 18 2HB SER 18 -2.292 10.756 6.861 139 HB3 SER 18 3HB SER 18 -2.669 10.953 8.573 140 HG SER 18 HG SER 18 -0.600 12.484 7.481 141 H LYS 19 H LYS 19 -1.599 9.722 10.495 142 HA LYS 19 HA LYS 19 -0.198 11.601 12.057 143 HB2 LYS 19 2HB LYS 19 -2.336 10.582 12.760 144 HB3 LYS 19 3HB LYS 19 -1.565 9.006 12.880 145 HG2 LYS 19 2HG LYS 19 -1.873 9.962 15.106 146 HG3 LYS 19 3HG LYS 19 -0.151 9.839 14.744 147 HD2 LYS 19 2HD LYS 19 -0.657 11.961 15.867 148 HD3 LYS 19 3HD LYS 19 -0.088 12.253 14.224 149 HE2 LYS 19 2HE LYS 19 -1.997 13.711 14.799 150 HE3 LYS 19 3HE LYS 19 -2.399 12.626 13.468 151 HZ1 LYS 19 1HZ LYS 19 -4.181 12.798 15.090 152 HZ2 LYS 19 2HZ LYS 19 -3.161 12.233 16.311 153 HZ3 LYS 19 3HZ LYS 19 -3.584 11.218 15.028 154 H LYS 20 H LYS 20 0.228 8.083 11.687 155 HA LYS 20 HA LYS 20 2.348 7.658 13.433 156 HB2 LYS 20 2HB LYS 20 0.970 5.848 12.440 157 HB3 LYS 20 3HB LYS 20 1.657 6.178 10.859 158 HG2 LYS 20 2HG LYS 20 2.775 4.252 11.572 159 HG3 LYS 20 3HG LYS 20 3.933 5.534 11.878 160 HD2 LYS 20 2HD LYS 20 2.107 4.482 14.067 161 HD3 LYS 20 3HD LYS 20 3.631 3.691 13.671 162 HE2 LYS 20 2HE LYS 20 4.730 5.992 14.060 163 HE3 LYS 20 3HE LYS 20 3.209 6.456 14.820 164 HZ1 LYS 20 1HZ LYS 20 4.874 5.636 16.414 165 HZ2 LYS 20 2HZ LYS 20 4.873 4.133 15.638 166 HZ3 LYS 20 3HZ LYS 20 3.473 4.685 16.417 167 H ALA 21 H ALA 21 2.414 8.283 9.939 168 HA ALA 21 HA ALA 21 5.179 8.174 9.490 169 HB1 ALA 21 1HB ALA 21 3.081 9.807 8.022 170 HB2 ALA 21 2HB ALA 21 3.495 8.124 7.699 171 HB3 ALA 21 3HB ALA 21 4.689 9.390 7.414 172 H GLU 22 H GLU 22 3.034 10.934 10.198 173 HA GLU 22 HA GLU 22 4.966 12.982 9.845 174 HB2 GLU 22 2HB GLU 22 2.479 13.229 9.684 175 HB3 GLU 22 3HB GLU 22 2.367 13.063 11.434 176 HG2 GLU 22 2HG GLU 22 3.698 15.120 11.717 177 HG3 GLU 22 3HG GLU 22 3.834 15.280 9.968 178 H GLU 23 H GLU 23 3.734 11.349 12.770 179 HA GLU 23 HA GLU 23 5.241 12.730 14.692 180 HB2 GLU 23 2HB GLU 23 4.229 9.853 14.830 181 HB3 GLU 23 3HB GLU 23 4.798 10.797 16.196 182 HG2 GLU 23 2HG GLU 23 2.311 11.330 14.555 183 HG3 GLU 23 3HG GLU 23 2.382 10.696 16.195 184 H GLU 24 H GLU 24 6.009 9.849 12.743 185 HA GLU 24 HA GLU 24 8.598 9.432 14.002 186 HB2 GLU 24 2HB GLU 24 7.302 8.129 11.580 187 HB3 GLU 24 3HB GLU 24 8.852 7.643 12.251 188 HG2 GLU 24 2HG GLU 24 6.155 7.444 13.614 189 HG3 GLU 24 3HG GLU 24 7.116 6.111 12.972 190 H GLY 25 H GLY 25 7.459 11.508 11.562 191 HA2 GLY 25 2HA GLY 25 8.706 13.230 10.598 192 HA3 GLY 25 3HA GLY 25 10.186 12.345 10.902 193 H TYR 26 H TYR 26 8.018 10.247 9.455 194 HA TYR 26 HA TYR 26 9.319 10.311 6.877 195 HB2 TYR 26 2HB TYR 26 6.827 8.781 7.784 196 HB3 TYR 26 3HB TYR 26 7.709 8.497 6.287 197 HD1 TYR 26 HD1 TYR 26 10.386 8.112 6.735 198 HD2 TYR 26 HD2 TYR 26 7.237 7.218 9.487 199 HE1 TYR 26 HE1 TYR 26 11.820 6.458 7.844 200 HE2 TYR 26 HE2 TYR 26 8.674 5.559 10.596 201 HH TYR 26 HH TYR 26 12.002 5.387 10.081 202 H ASP 27 H ASP 27 8.777 11.665 5.256 203 HA ASP 27 HA ASP 27 6.138 12.920 5.101 204 HB2 ASP 27 2HB ASP 27 8.661 13.226 3.413 205 HB3 ASP 27 3HB ASP 27 7.146 14.051 3.044 206 H ILE 28 H ILE 28 4.691 11.379 4.550 207 HA ILE 28 HA ILE 28 5.158 9.688 2.161 208 HB ILE 28 HB ILE 28 3.019 9.406 4.340 209 HG12 ILE 28 2HG1 ILE 28 5.621 7.873 3.893 210 HG13 ILE 28 3HG1 ILE 28 5.197 8.851 5.292 211 HG21 ILE 28 1HG2 ILE 28 2.505 7.234 3.292 212 HG22 ILE 28 2HG2 ILE 28 3.706 7.543 2.038 213 HG23 ILE 28 3HG2 ILE 28 2.266 8.556 2.147 214 HD11 ILE 28 1HD1 ILE 28 3.406 7.214 5.825 215 HD12 ILE 28 2HD1 ILE 28 5.039 6.555 5.871 216 HD13 ILE 28 3HD1 ILE 28 3.995 6.206 4.496 217 H GLN 29 H GLN 29 4.100 10.237 0.313 218 HA GLN 29 HA GLN 29 2.114 12.326 0.176 219 HB2 GLN 29 2HB GLN 29 3.779 11.902 -1.630 220 HB3 GLN 29 3HB GLN 29 3.118 10.289 -1.881 221 HG2 GLN 29 2HG GLN 29 2.386 11.836 -3.631 222 HG3 GLN 29 3HG GLN 29 1.009 11.269 -2.684 223 HE21 GLN 29 1HE2 GLN 29 -0.163 12.771 -1.463 224 HE22 GLN 29 2HE2 GLN 29 0.100 14.474 -1.573 225 H THR 30 H THR 30 0.128 11.881 0.958 226 HA THR 30 HA THR 30 -1.021 9.168 0.787 227 HB THR 30 HB THR 30 -2.743 10.070 2.421 228 HG1 THR 30 HG1 THR 30 -2.060 12.381 1.742 229 HG21 THR 30 1HG2 THR 30 -0.789 8.806 3.268 230 HG22 THR 30 2HG2 THR 30 -1.268 10.071 4.399 231 HG23 THR 30 3HG2 THR 30 0.146 10.301 3.369 232 H SER 31 H SER 31 -2.896 8.754 -0.315 233 HA SER 31 HA SER 31 -4.506 10.845 -1.537 234 HB2 SER 31 2HB SER 31 -2.666 10.643 -3.180 235 HB3 SER 31 3HB SER 31 -2.906 8.898 -3.277 236 HG SER 31 HG SER 31 -3.914 10.218 -4.977 237 H ASN 32 H ASN 32 -6.355 10.001 -2.649 238 HA ASN 32 HA ASN 32 -7.253 7.314 -1.792 239 HB2 ASN 32 2HB ASN 32 -8.516 9.132 -0.704 240 HB3 ASN 32 3HB ASN 32 -8.879 9.857 -2.266 241 HD21 ASN 32 1HD2 ASN 32 -9.505 7.080 -0.189 242 HD22 ASN 32 2HD2 ASN 32 -10.978 6.609 -0.962 243 H ASP 33 H ASP 33 -7.072 9.682 -4.454 244 HA ASP 33 HA ASP 33 -8.440 7.943 -6.326 245 HB2 ASP 33 2HB ASP 33 -8.083 9.653 -8.014 246 HB3 ASP 33 3HB ASP 33 -8.718 10.389 -6.555 247 H LYS 34 H LYS 34 -7.410 6.122 -6.658 248 HA LYS 34 HA LYS 34 -4.614 5.690 -6.696 249 HB2 LYS 34 2HB LYS 34 -5.146 3.413 -7.380 250 HB3 LYS 34 3HB LYS 34 -6.268 3.950 -6.140 251 HG2 LYS 34 2HG LYS 34 -7.942 4.440 -7.986 252 HG3 LYS 34 3HG LYS 34 -6.819 3.667 -9.108 253 HD2 LYS 34 2HD LYS 34 -8.530 2.069 -8.431 254 HD3 LYS 34 3HD LYS 34 -6.967 1.566 -7.782 255 HE2 LYS 34 2HE LYS 34 -8.769 1.307 -6.132 256 HE3 LYS 34 3HE LYS 34 -7.576 2.473 -5.577 257 HZ1 LYS 34 1HZ LYS 34 -9.856 3.217 -5.176 258 HZ2 LYS 34 2HZ LYS 34 -10.191 3.138 -6.828 259 HZ3 LYS 34 3HZ LYS 34 -9.060 4.246 -6.251 260 H LYS 35 H LYS 35 -6.740 6.771 -9.170 261 HA LYS 35 HA LYS 35 -5.405 6.041 -11.523 262 HB2 LYS 35 2HB LYS 35 -6.495 7.987 -12.574 263 HB3 LYS 35 3HB LYS 35 -7.606 7.106 -11.534 264 HG2 LYS 35 2HG LYS 35 -7.279 8.824 -9.759 265 HG3 LYS 35 3HG LYS 35 -6.243 9.734 -10.858 266 HD2 LYS 35 2HD LYS 35 -9.181 9.085 -11.330 267 HD3 LYS 35 3HD LYS 35 -8.548 10.640 -10.789 268 HE2 LYS 35 2HE LYS 35 -7.955 9.323 -13.460 269 HE3 LYS 35 3HE LYS 35 -9.052 10.678 -13.195 270 HZ1 LYS 35 1HZ LYS 35 -7.154 11.976 -12.397 271 HZ2 LYS 35 2HZ LYS 35 -6.949 11.461 -13.992 272 HZ3 LYS 35 3HZ LYS 35 -6.118 10.686 -12.743 273 H GLU 36 H GLU 36 -4.717 8.721 -9.281 274 HA GLU 36 HA GLU 36 -2.627 9.960 -10.762 275 HB2 GLU 36 2HB GLU 36 -3.860 11.017 -8.848 276 HB3 GLU 36 3HB GLU 36 -3.088 9.889 -7.742 277 HG2 GLU 36 2HG GLU 36 -1.969 12.008 -7.570 278 HG3 GLU 36 3HG GLU 36 -0.871 10.880 -8.364 279 H ILE 37 H ILE 37 -2.690 7.496 -8.216 280 HA ILE 37 HA ILE 37 0.103 7.452 -7.736 281 HB ILE 37 HB ILE 37 -2.018 5.422 -6.909 282 HG12 ILE 37 2HG1 ILE 37 -2.786 7.583 -6.152 283 HG13 ILE 37 3HG1 ILE 37 -2.080 6.800 -4.747 284 HG21 ILE 37 1HG2 ILE 37 0.257 4.577 -6.573 285 HG22 ILE 37 2HG2 ILE 37 -0.513 4.920 -5.024 286 HG23 ILE 37 3HG2 ILE 37 0.686 6.038 -5.677 287 HD11 ILE 37 1HD1 ILE 37 -1.444 9.099 -4.740 288 HD12 ILE 37 2HD1 ILE 37 -0.876 9.025 -6.403 289 HD13 ILE 37 3HD1 ILE 37 -0.003 8.165 -5.132 290 H ILE 38 H ILE 38 -2.071 5.147 -9.392 291 HA ILE 38 HA ILE 38 -0.272 3.218 -10.289 292 HB ILE 38 HB ILE 38 -2.876 4.261 -11.510 293 HG12 ILE 38 2HG1 ILE 38 -2.261 1.669 -10.002 294 HG13 ILE 38 3HG1 ILE 38 -3.088 3.069 -9.333 295 HG21 ILE 38 1HG2 ILE 38 -1.322 1.844 -12.489 296 HG22 ILE 38 2HG2 ILE 38 -1.574 3.341 -13.381 297 HG23 ILE 38 3HG2 ILE 38 -2.945 2.294 -13.013 298 HD11 ILE 38 1HD1 ILE 38 -4.677 1.352 -9.854 299 HD12 ILE 38 2HD1 ILE 38 -4.109 1.259 -11.520 300 HD13 ILE 38 3HD1 ILE 38 -4.928 2.715 -10.945 301 H ASP 39 H ASP 39 -1.106 6.378 -11.604 302 HA ASP 39 HA ASP 39 0.222 6.189 -14.103 303 HB2 ASP 39 2HB ASP 39 -1.605 7.804 -13.600 304 HB3 ASP 39 3HB ASP 39 -0.539 8.663 -12.492 305 H ARG 40 H ARG 40 1.253 7.428 -10.909 306 HA ARG 40 HA ARG 40 3.828 8.353 -11.856 307 HB2 ARG 40 2HB ARG 40 2.850 7.970 -9.000 308 HB3 ARG 40 3HB ARG 40 4.325 8.807 -9.473 309 HG2 ARG 40 2HG ARG 40 2.929 10.475 -10.712 310 HG3 ARG 40 3HG ARG 40 1.493 9.651 -10.107 311 HD2 ARG 40 2HD ARG 40 2.181 10.168 -7.776 312 HD3 ARG 40 3HD ARG 40 3.606 11.014 -8.402 313 HE ARG 40 HE ARG 40 0.967 11.876 -9.303 314 HH11 ARG 40 1HH1 ARG 40 3.761 12.604 -7.311 315 HH12 ARG 40 2HH1 ARG 40 3.318 14.274 -7.103 316 HH21 ARG 40 1HH2 ARG 40 0.410 14.040 -9.068 317 HH22 ARG 40 2HH2 ARG 40 1.409 15.092 -8.104 318 H LEU 41 H LEU 41 2.606 5.340 -10.482 319 HA LEU 41 HA LEU 41 5.049 3.991 -10.046 320 HB2 LEU 41 2HB LEU 41 2.387 2.893 -11.053 321 HB3 LEU 41 3HB LEU 41 3.740 1.877 -10.586 322 HG LEU 41 HG LEU 41 2.238 3.742 -8.704 323 HD11 LEU 41 1HD1 LEU 41 1.275 1.705 -7.717 324 HD12 LEU 41 2HD1 LEU 41 2.062 0.720 -8.953 325 HD13 LEU 41 3HD1 LEU 41 0.816 1.884 -9.410 326 HD21 LEU 41 1HD2 LEU 41 4.405 1.702 -8.101 327 HD22 LEU 41 2HD2 LEU 41 3.489 2.628 -6.907 328 HD23 LEU 41 3HD2 LEU 41 4.565 3.460 -8.024 329 H LYS 42 H LYS 42 3.036 4.313 -12.952 330 HA LYS 42 HA LYS 42 4.646 2.881 -14.789 331 HB2 LYS 42 2HB LYS 42 2.653 5.139 -15.246 332 HB3 LYS 42 3HB LYS 42 3.314 4.126 -16.531 333 HG2 LYS 42 2HG LYS 42 2.253 2.148 -15.579 334 HG3 LYS 42 3HG LYS 42 1.689 3.084 -14.194 335 HD2 LYS 42 2HD LYS 42 -0.197 2.850 -15.625 336 HD3 LYS 42 3HD LYS 42 0.353 4.509 -15.839 337 HE2 LYS 42 2HE LYS 42 1.009 2.225 -17.733 338 HE3 LYS 42 3HE LYS 42 -0.322 3.356 -17.957 339 HZ1 LYS 42 1HZ LYS 42 1.352 5.163 -18.013 340 HZ2 LYS 42 2HZ LYS 42 1.499 4.058 -19.282 341 HZ3 LYS 42 3HZ LYS 42 2.579 3.995 -17.981 342 H ARG 43 H ARG 43 4.841 6.205 -13.657 343 HA ARG 43 HA ARG 43 6.815 7.040 -15.622 344 HB2 ARG 43 2HB ARG 43 5.834 8.391 -13.068 345 HB3 ARG 43 3HB ARG 43 6.918 9.133 -14.241 346 HG2 ARG 43 2HG ARG 43 5.140 8.972 -15.970 347 HG3 ARG 43 3HG ARG 43 4.064 8.264 -14.766 348 HD2 ARG 43 2HD ARG 43 4.230 10.354 -13.418 349 HD3 ARG 43 3HD ARG 43 5.248 11.062 -14.679 350 HE ARG 43 HE ARG 43 2.591 10.096 -15.449 351 HH11 ARG 43 1HH1 ARG 43 4.590 12.911 -14.711 352 HH12 ARG 43 2HH1 ARG 43 3.479 14.025 -15.448 353 HH21 ARG 43 1HH2 ARG 43 1.150 11.553 -16.359 354 HH22 ARG 43 2HH2 ARG 43 1.520 13.250 -16.384 355 H ARG 44 H ARG 44 6.983 5.129 -12.881 356 HA ARG 44 HA ARG 44 8.540 4.361 -11.440 357 HB2 ARG 44 2HB ARG 44 10.418 5.401 -13.597 358 HB3 ARG 44 3HB ARG 44 11.040 4.662 -12.131 359 HG2 ARG 44 2HG ARG 44 11.055 3.010 -13.870 360 HG3 ARG 44 3HG ARG 44 9.813 2.562 -12.706 361 HD2 ARG 44 2HD ARG 44 8.056 3.300 -14.217 362 HD3 ARG 44 3HD ARG 44 9.248 3.989 -15.326 363 HE ARG 44 HE ARG 44 9.755 1.229 -14.967 364 HH11 ARG 44 1HH1 ARG 44 7.432 3.324 -16.613 365 HH12 ARG 44 2HH1 ARG 44 7.078 2.141 -17.835 366 HH21 ARG 44 1HH2 ARG 44 9.275 -0.276 -16.574 367 HH22 ARG 44 2HH2 ARG 44 8.118 0.116 -17.810 368 H ASN 45 H ASN 45 7.505 7.147 -11.257 369 HA ASN 45 HA ASN 45 9.540 8.743 -9.968 370 HB2 ASN 45 2HB ASN 45 6.572 9.133 -10.476 371 HB3 ASN 45 3HB ASN 45 7.461 10.233 -9.433 372 HD21 ASN 45 1HD2 ASN 45 8.958 8.819 -12.324 373 HD22 ASN 45 2HD2 ASN 45 8.974 10.290 -13.223 374 H ILE 46 H ILE 46 7.241 6.362 -8.998 375 HA ILE 46 HA ILE 46 7.424 7.063 -6.147 376 HB ILE 46 HB ILE 46 5.777 4.866 -7.496 377 HG12 ILE 46 2HG1 ILE 46 4.953 7.552 -6.299 378 HG13 ILE 46 3HG1 ILE 46 4.951 7.139 -8.007 379 HG21 ILE 46 1HG2 ILE 46 5.776 5.741 -4.573 380 HG22 ILE 46 2HG2 ILE 46 6.412 4.214 -5.184 381 HG23 ILE 46 3HG2 ILE 46 4.685 4.553 -5.288 382 HD11 ILE 46 1HD1 ILE 46 2.722 7.116 -7.135 383 HD12 ILE 46 2HD1 ILE 46 3.170 5.959 -5.884 384 HD13 ILE 46 3HD1 ILE 46 3.191 5.479 -7.584 385 H ASP 47 H ASP 47 8.734 6.029 -4.788 386 HA ASP 47 HA ASP 47 10.585 3.998 -5.807 387 HB2 ASP 47 2HB ASP 47 11.634 5.835 -4.652 388 HB3 ASP 47 3HB ASP 47 10.529 5.713 -3.295 389 H MET 48 H MET 48 8.212 4.475 -3.233 390 HA MET 48 HA MET 48 7.788 1.613 -2.976 391 HB2 MET 48 2HB MET 48 8.095 1.663 -0.482 392 HB3 MET 48 3HB MET 48 9.586 1.903 -1.376 393 HG2 MET 48 2HG MET 48 9.346 4.374 -0.967 394 HG3 MET 48 3HG MET 48 7.985 4.008 0.093 395 HE1 MET 48 1HE MET 48 8.240 2.423 2.272 396 HE2 MET 48 2HE MET 48 9.792 1.864 2.890 397 HE3 MET 48 3HE MET 48 9.144 1.185 1.397 398 H ILE 49 H ILE 49 5.747 1.130 -2.353 399 HA ILE 49 HA ILE 49 3.869 3.321 -1.770 400 HB ILE 49 HB ILE 49 3.764 3.076 -4.182 401 HG12 ILE 49 2HG1 ILE 49 1.382 1.728 -2.830 402 HG13 ILE 49 3HG1 ILE 49 1.581 3.444 -3.156 403 HG21 ILE 49 1HG2 ILE 49 3.308 0.965 -5.361 404 HG22 ILE 49 2HG2 ILE 49 3.329 0.093 -3.828 405 HG23 ILE 49 3HG2 ILE 49 4.802 0.856 -4.423 406 HD11 ILE 49 1HD1 ILE 49 1.474 2.956 -5.581 407 HD12 ILE 49 2HD1 ILE 49 0.016 2.503 -4.698 408 HD13 ILE 49 3HD1 ILE 49 1.165 1.260 -5.191 409 H ILE 50 H ILE 50 2.374 2.759 -0.280 410 HA ILE 50 HA ILE 50 2.005 -0.100 0.441 411 HB ILE 50 HB ILE 50 1.849 2.329 2.304 412 HG12 ILE 50 2HG1 ILE 50 3.966 0.120 2.166 413 HG13 ILE 50 3HG1 ILE 50 4.193 1.774 1.619 414 HG21 ILE 50 1HG2 ILE 50 0.268 0.577 2.976 415 HG22 ILE 50 2HG2 ILE 50 1.604 0.647 4.121 416 HG23 ILE 50 3HG2 ILE 50 1.547 -0.640 2.917 417 HD11 ILE 50 1HD1 ILE 50 3.734 0.897 4.461 418 HD12 ILE 50 2HD1 ILE 50 3.941 2.564 3.915 419 HD13 ILE 50 3HD1 ILE 50 5.258 1.406 3.737 420 H VAL 51 H VAL 51 0.030 -0.749 -0.127 421 HA VAL 51 HA VAL 51 -2.143 1.220 -0.550 422 HB VAL 51 HB VAL 51 -1.914 -1.587 -1.765 423 HG11 VAL 51 1HG1 VAL 51 -3.665 -0.819 -3.322 424 HG12 VAL 51 2HG1 VAL 51 -3.729 0.743 -2.503 425 HG13 VAL 51 3HG1 VAL 51 -4.223 -0.721 -1.650 426 HG21 VAL 51 1HG2 VAL 51 -0.056 -0.221 -2.591 427 HG22 VAL 51 2HG2 VAL 51 -1.175 1.066 -3.048 428 HG23 VAL 51 3HG2 VAL 51 -1.242 -0.494 -3.867 429 H LYS 52 H LYS 52 -3.922 1.038 0.692 430 HA LYS 52 HA LYS 52 -4.603 -1.548 1.949 431 HB2 LYS 52 2HB LYS 52 -3.999 -0.039 3.737 432 HB3 LYS 52 3HB LYS 52 -4.929 1.279 3.029 433 HG2 LYS 52 2HG LYS 52 -6.053 0.356 4.999 434 HG3 LYS 52 3HG LYS 52 -7.024 0.126 3.547 435 HD2 LYS 52 2HD LYS 52 -6.287 -2.243 3.451 436 HD3 LYS 52 3HD LYS 52 -5.331 -1.998 4.922 437 HE2 LYS 52 2HE LYS 52 -7.512 -3.064 5.393 438 HE3 LYS 52 3HE LYS 52 -7.374 -1.495 6.188 439 HZ1 LYS 52 1HZ LYS 52 -8.716 -0.527 4.420 440 HZ2 LYS 52 2HZ LYS 52 -9.536 -1.809 5.160 441 HZ3 LYS 52 3HZ LYS 52 -8.823 -2.029 3.647 442 H THR 53 H THR 53 -6.063 -2.328 0.591 443 HA THR 53 HA THR 53 -8.675 -1.122 0.498 444 HB THR 53 HB THR 53 -7.797 -0.090 -1.549 445 HG1 THR 53 HG1 THR 53 -9.244 -1.304 -3.113 446 HG21 THR 53 1HG2 THR 53 -6.992 -1.378 -3.464 447 HG22 THR 53 2HG2 THR 53 -7.138 -2.880 -2.550 448 HG23 THR 53 3HG2 THR 53 -5.959 -1.661 -2.061 449 H GLU 54 H GLU 54 -10.266 -2.671 0.239 450 HA GLU 54 HA GLU 54 -9.422 -5.461 0.587 451 HB2 GLU 54 2HB GLU 54 -11.078 -4.290 2.153 452 HB3 GLU 54 3HB GLU 54 -12.236 -4.307 0.828 453 HG2 GLU 54 2HG GLU 54 -12.008 -6.841 0.785 454 HG3 GLU 54 3HG GLU 54 -11.048 -6.719 2.261 455 H ASP 55 H ASP 55 -9.934 -3.591 -2.032 456 HA ASP 55 HA ASP 55 -11.593 -5.461 -3.586 457 HB2 ASP 55 2HB ASP 55 -11.875 -2.945 -3.757 458 HB3 ASP 55 3HB ASP 55 -10.271 -2.848 -4.478 459 H LYS 56 H LYS 56 -10.442 -7.248 -4.063 460 HA LYS 56 HA LYS 56 -7.663 -7.503 -4.299 461 HB2 LYS 56 2HB LYS 56 -8.149 -9.794 -5.187 462 HB3 LYS 56 3HB LYS 56 -9.017 -9.404 -3.709 463 HG2 LYS 56 2HG LYS 56 -11.038 -8.877 -5.100 464 HG3 LYS 56 3HG LYS 56 -10.166 -9.457 -6.515 465 HD2 LYS 56 2HD LYS 56 -10.809 -11.118 -4.048 466 HD3 LYS 56 3HD LYS 56 -11.696 -11.174 -5.571 467 HE2 LYS 56 2HE LYS 56 -8.765 -11.900 -5.239 468 HE3 LYS 56 3HE LYS 56 -10.094 -13.049 -5.341 469 HZ1 LYS 56 1HZ LYS 56 -9.368 -11.121 -7.479 470 HZ2 LYS 56 2HZ LYS 56 -10.568 -12.314 -7.562 471 HZ3 LYS 56 3HZ LYS 56 -8.941 -12.756 -7.452 472 H GLU 57 H GLU 57 -9.996 -6.615 -6.754 473 HA GLU 57 HA GLU 57 -8.344 -7.244 -9.027 474 HB2 GLU 57 2HB GLU 57 -10.762 -5.397 -8.882 475 HB3 GLU 57 3HB GLU 57 -10.042 -6.041 -10.354 476 HG2 GLU 57 2HG GLU 57 -11.501 -7.594 -8.201 477 HG3 GLU 57 3HG GLU 57 -12.053 -7.282 -9.840 478 H SER 58 H SER 58 -8.984 -4.287 -7.119 479 HA SER 58 HA SER 58 -7.407 -2.553 -8.780 480 HB2 SER 58 2HB SER 58 -7.651 -0.879 -6.970 481 HB3 SER 58 3HB SER 58 -9.200 -1.626 -7.352 482 HG SER 58 HG SER 58 -8.871 -2.988 -5.526 483 H ILE 59 H ILE 59 -6.829 -4.396 -5.788 484 HA ILE 59 HA ILE 59 -4.205 -3.693 -5.184 485 HB ILE 59 HB ILE 59 -5.515 -6.455 -4.994 486 HG12 ILE 59 2HG1 ILE 59 -5.127 -4.330 -2.825 487 HG13 ILE 59 3HG1 ILE 59 -6.648 -4.702 -3.623 488 HG21 ILE 59 1HG2 ILE 59 -2.943 -5.499 -3.701 489 HG22 ILE 59 2HG2 ILE 59 -3.085 -6.707 -4.978 490 HG23 ILE 59 3HG2 ILE 59 -3.738 -7.039 -3.376 491 HD11 ILE 59 1HD1 ILE 59 -5.085 -6.554 -1.825 492 HD12 ILE 59 2HD1 ILE 59 -6.584 -6.965 -2.660 493 HD13 ILE 59 3HD1 ILE 59 -6.580 -5.703 -1.431 494 H SER 60 H SER 60 -5.402 -6.243 -7.365 495 HA SER 60 HA SER 60 -3.033 -7.281 -8.347 496 HB2 SER 60 2HB SER 60 -5.203 -8.335 -8.753 497 HB3 SER 60 3HB SER 60 -5.724 -6.976 -9.745 498 HG SER 60 HG SER 60 -5.025 -8.336 -11.237 499 H GLU 61 H GLU 61 -4.940 -4.509 -9.577 500 HA GLU 61 HA GLU 61 -3.472 -3.934 -11.894 501 HB2 GLU 61 2HB GLU 61 -5.157 -2.136 -10.108 502 HB3 GLU 61 3HB GLU 61 -4.459 -1.575 -11.622 503 HG2 GLU 61 2HG GLU 61 -6.460 -3.820 -11.298 504 HG3 GLU 61 3HG GLU 61 -6.787 -2.210 -11.930 505 H ILE 62 H ILE 62 -3.156 -2.460 -8.618 506 HA ILE 62 HA ILE 62 -1.036 -0.731 -9.157 507 HB ILE 62 HB ILE 62 -1.990 -2.003 -6.577 508 HG12 ILE 62 2HG1 ILE 62 -2.213 0.452 -5.881 509 HG13 ILE 62 3HG1 ILE 62 -1.712 0.899 -7.503 510 HG21 ILE 62 1HG2 ILE 62 -0.247 -0.773 -5.269 511 HG22 ILE 62 2HG2 ILE 62 0.585 -0.402 -6.772 512 HG23 ILE 62 3HG2 ILE 62 0.423 -2.077 -6.249 513 HD11 ILE 62 1HD1 ILE 62 -4.208 -0.620 -6.770 514 HD12 ILE 62 2HD1 ILE 62 -3.722 -0.171 -8.407 515 HD13 ILE 62 3HD1 ILE 62 -4.108 1.081 -7.225 516 H ILE 63 H ILE 63 -0.912 -4.140 -8.019 517 HA ILE 63 HA ILE 63 1.877 -4.310 -7.664 518 HB ILE 63 HB ILE 63 -0.024 -6.600 -8.348 519 HG12 ILE 63 2HG1 ILE 63 0.904 -5.626 -5.601 520 HG13 ILE 63 3HG1 ILE 63 -0.687 -5.324 -6.290 521 HG21 ILE 63 1HG2 ILE 63 2.331 -7.250 -8.705 522 HG22 ILE 63 2HG2 ILE 63 1.682 -8.072 -7.289 523 HG23 ILE 63 3HG2 ILE 63 2.754 -6.685 -7.086 524 HD11 ILE 63 1HD1 ILE 63 0.453 -8.030 -5.631 525 HD12 ILE 63 2HD1 ILE 63 -1.144 -7.711 -6.314 526 HD13 ILE 63 3HD1 ILE 63 -0.746 -7.135 -4.697 527 H LYS 64 H LYS 64 -0.164 -4.976 -10.523 528 HA LYS 64 HA LYS 64 1.800 -6.047 -12.251 529 HB2 LYS 64 2HB LYS 64 -0.711 -4.426 -12.862 530 HB3 LYS 64 3HB LYS 64 0.246 -5.243 -14.096 531 HG2 LYS 64 2HG LYS 64 -0.371 -7.401 -13.327 532 HG3 LYS 64 3HG LYS 64 -0.930 -6.778 -11.771 533 HD2 LYS 64 2HD LYS 64 -2.852 -7.387 -13.178 534 HD3 LYS 64 3HD LYS 64 -2.825 -5.648 -12.889 535 HE2 LYS 64 2HE LYS 64 -1.738 -5.378 -15.156 536 HE3 LYS 64 3HE LYS 64 -2.010 -7.100 -15.424 537 HZ1 LYS 64 1HZ LYS 64 -4.362 -6.754 -15.227 538 HZ2 LYS 64 2HZ LYS 64 -3.755 -5.689 -16.389 539 HZ3 LYS 64 3HZ LYS 64 -4.153 -5.121 -14.846 540 H GLN 65 H GLN 65 0.812 -2.711 -11.551 541 HA GLN 65 HA GLN 65 2.664 -1.539 -13.455 542 HB2 GLN 65 2HB GLN 65 1.021 -0.165 -11.288 543 HB3 GLN 65 3HB GLN 65 1.797 0.611 -12.664 544 HG2 GLN 65 2HG GLN 65 -0.561 -1.279 -12.715 545 HG3 GLN 65 3HG GLN 65 -0.546 0.421 -13.151 546 HE21 GLN 65 1HE2 GLN 65 0.244 1.011 -15.180 547 HE22 GLN 65 2HE2 GLN 65 0.551 -0.123 -16.439 548 H VAL 66 H VAL 66 2.858 -2.536 -10.134 549 HA VAL 66 HA VAL 66 5.340 -1.123 -9.607 550 HB VAL 66 HB VAL 66 3.959 -3.348 -8.016 551 HG11 VAL 66 1HG1 VAL 66 5.508 -2.746 -6.166 552 HG12 VAL 66 2HG1 VAL 66 6.376 -1.661 -7.249 553 HG13 VAL 66 3HG1 VAL 66 6.368 -3.398 -7.559 554 HG21 VAL 66 1HG2 VAL 66 2.683 -1.233 -8.033 555 HG22 VAL 66 2HG2 VAL 66 4.104 -0.352 -7.476 556 HG23 VAL 66 3HG2 VAL 66 3.343 -1.553 -6.429 557 H LEU 67 H LEU 67 4.331 -4.211 -10.946 558 HA LEU 67 HA LEU 67 6.966 -5.401 -11.039 559 HB2 LEU 67 2HB LEU 67 4.455 -5.996 -12.676 560 HB3 LEU 67 3HB LEU 67 5.928 -6.949 -12.743 561 HG LEU 67 HG LEU 67 4.165 -6.649 -10.281 562 HD11 LEU 67 1HD1 LEU 67 3.034 -7.922 -12.033 563 HD12 LEU 67 2HD1 LEU 67 3.466 -8.959 -10.678 564 HD13 LEU 67 3HD1 LEU 67 4.417 -9.013 -12.166 565 HD21 LEU 67 1HD2 LEU 67 6.589 -8.429 -10.703 566 HD22 LEU 67 2HD2 LEU 67 5.520 -8.458 -9.298 567 HD23 LEU 67 3HD2 LEU 67 6.488 -7.027 -9.635 568 H ASP 68 H ASP 68 4.981 -3.326 -13.096 569 HA ASP 68 HA ASP 68 6.738 -3.153 -15.301 570 HB2 ASP 68 2HB ASP 68 4.299 -2.568 -15.352 571 HB3 ASP 68 3HB ASP 68 4.628 -1.153 -14.358 572 H SER 69 H SER 69 6.392 -1.165 -12.342 573 HA SER 69 HA SER 69 8.325 0.809 -13.178 574 HB2 SER 69 2HB SER 69 8.045 1.717 -10.868 575 HB3 SER 69 3HB SER 69 6.505 1.450 -11.670 576 HG SER 69 HG SER 69 6.026 0.359 -9.964 577 H GLY 70 H GLY 70 8.304 -1.852 -10.847 578 HA2 GLY 70 2HA GLY 70 10.096 -3.098 -10.009 579 HA3 GLY 70 3HA GLY 70 11.238 -1.936 -10.683 580 H ALA 71 H ALA 71 8.429 -0.952 -8.809 581 HA ALA 71 HA ALA 71 10.074 0.359 -6.795 582 HB1 ALA 71 1HB ALA 71 8.084 1.495 -7.705 583 HB2 ALA 71 2HB ALA 71 7.926 1.259 -5.964 584 HB3 ALA 71 3HB ALA 71 7.048 0.208 -7.080 585 H LYS 72 H LYS 72 9.518 0.087 -4.428 586 HA LYS 72 HA LYS 72 9.005 -2.656 -3.559 587 HB2 LYS 72 2HB LYS 72 9.780 -0.077 -2.137 588 HB3 LYS 72 3HB LYS 72 9.094 -1.407 -1.209 589 HG2 LYS 72 2HG LYS 72 11.486 -1.523 -1.045 590 HG3 LYS 72 3HG LYS 72 10.914 -2.889 -1.990 591 HD2 LYS 72 2HD LYS 72 12.806 -2.220 -3.192 592 HD3 LYS 72 3HD LYS 72 11.534 -1.372 -4.068 593 HE2 LYS 72 2HE LYS 72 13.314 -0.146 -1.925 594 HE3 LYS 72 3HE LYS 72 13.550 0.026 -3.658 595 HZ1 LYS 72 1HZ LYS 72 11.479 1.198 -3.826 596 HZ2 LYS 72 2HZ LYS 72 12.473 1.949 -2.682 597 HZ3 LYS 72 3HZ LYS 72 11.174 0.997 -2.173 598 H VAL 73 H VAL 73 7.084 -3.320 -2.485 599 HA VAL 73 HA VAL 73 4.872 -1.405 -2.219 600 HB VAL 73 HB VAL 73 4.634 -2.228 -4.505 601 HG11 VAL 73 1HG1 VAL 73 4.575 -5.042 -3.379 602 HG12 VAL 73 2HG1 VAL 73 5.838 -4.334 -4.387 603 HG13 VAL 73 3HG1 VAL 73 4.225 -4.601 -5.054 604 HG21 VAL 73 1HG2 VAL 73 2.488 -3.438 -2.715 605 HG22 VAL 73 2HG2 VAL 73 2.311 -3.069 -4.432 606 HG23 VAL 73 3HG2 VAL 73 2.560 -1.764 -3.273 607 H LEU 74 H LEU 74 3.500 -1.845 -0.592 608 HA LEU 74 HA LEU 74 3.497 -4.510 0.701 609 HB2 LEU 74 2HB LEU 74 4.528 -2.858 2.201 610 HB3 LEU 74 3HB LEU 74 3.167 -1.767 1.992 611 HG LEU 74 HG LEU 74 1.681 -3.329 3.182 612 HD11 LEU 74 1HD1 LEU 74 4.086 -5.137 3.496 613 HD12 LEU 74 2HD1 LEU 74 2.641 -5.457 2.532 614 HD13 LEU 74 3HD1 LEU 74 2.521 -5.351 4.285 615 HD21 LEU 74 1HD2 LEU 74 4.214 -2.767 4.760 616 HD22 LEU 74 2HD2 LEU 74 2.629 -3.140 5.446 617 HD23 LEU 74 3HD2 LEU 74 2.861 -1.658 4.522 618 H ILE 75 H ILE 75 1.632 -5.462 0.243 619 HA ILE 75 HA ILE 75 -0.822 -3.938 -0.253 620 HB ILE 75 HB ILE 75 -0.146 -6.893 -0.614 621 HG12 ILE 75 2HG1 ILE 75 0.819 -5.536 -2.362 622 HG13 ILE 75 3HG1 ILE 75 -0.577 -6.347 -3.053 623 HG21 ILE 75 1HG2 ILE 75 -2.397 -7.196 -1.628 624 HG22 ILE 75 2HG2 ILE 75 -2.841 -5.567 -1.116 625 HG23 ILE 75 3HG2 ILE 75 -2.486 -6.803 0.093 626 HD11 ILE 75 1HD1 ILE 75 -0.429 -3.449 -2.197 627 HD12 ILE 75 2HD1 ILE 75 -1.857 -4.243 -2.869 628 HD13 ILE 75 3HD1 ILE 75 -0.399 -4.070 -3.847 629 H LEU 76 H LEU 76 -2.226 -3.628 1.240 630 HA LEU 76 HA LEU 76 -2.502 -5.380 3.600 631 HB2 LEU 76 2HB LEU 76 -2.889 -2.350 3.442 632 HB3 LEU 76 3HB LEU 76 -3.176 -3.335 4.867 633 HG LEU 76 HG LEU 76 -0.456 -2.924 3.556 634 HD11 LEU 76 1HD1 LEU 76 -1.247 -0.861 4.622 635 HD12 LEU 76 2HD1 LEU 76 0.122 -1.547 5.492 636 HD13 LEU 76 3HD1 LEU 76 -1.512 -1.729 6.137 637 HD21 LEU 76 1HD2 LEU 76 0.460 -4.034 5.552 638 HD22 LEU 76 2HD2 LEU 76 -0.599 -5.102 4.636 639 HD23 LEU 76 3HD2 LEU 76 -1.177 -4.357 6.130 640 H SER 77 H SER 77 -4.470 -6.325 3.623 641 HA SER 77 HA SER 77 -6.823 -4.939 2.513 642 HB2 SER 77 2HB SER 77 -6.013 -6.503 0.734 643 HB3 SER 77 3HB SER 77 -6.116 -7.844 1.875 644 HG SER 77 HG SER 77 -8.059 -6.694 0.384 645 H SER 78 H SER 78 -8.803 -5.662 3.434 646 HA SER 78 HA SER 78 -8.497 -6.391 6.232 647 HB2 SER 78 2HB SER 78 -10.936 -5.508 4.630 648 HB3 SER 78 3HB SER 78 -10.891 -5.707 6.382 649 HG SER 78 HG SER 78 -10.378 -3.656 6.275 650 H ASP 79 H ASP 79 -8.488 -8.376 3.751 651 HA ASP 79 HA ASP 79 -10.111 -10.476 5.017 652 HB2 ASP 79 2HB ASP 79 -11.434 -9.372 3.158 653 HB3 ASP 79 3HB ASP 79 -10.176 -9.841 2.025 654 H GLU 80 H GLU 80 -8.949 -12.302 5.197 655 HA GLU 80 HA GLU 80 -6.214 -12.432 4.356 656 HB2 GLU 80 2HB GLU 80 -6.130 -14.525 5.630 657 HB3 GLU 80 3HB GLU 80 -6.954 -13.266 6.540 658 HG2 GLU 80 2HG GLU 80 -9.150 -14.276 5.855 659 HG3 GLU 80 3HG GLU 80 -8.254 -15.587 5.092 660 H ASN 81 H ASN 81 -9.170 -13.714 3.012 661 HA ASN 81 HA ASN 81 -7.934 -15.869 1.502 662 HB2 ASN 81 2HB ASN 81 -10.692 -14.631 1.080 663 HB3 ASN 81 3HB ASN 81 -10.147 -16.204 0.514 664 HD21 ASN 81 1HD2 ASN 81 -11.167 -14.349 3.284 665 HD22 ASN 81 2HD2 ASN 81 -11.449 -15.695 4.331 666 H ILE 82 H ILE 82 -8.887 -12.537 1.037 667 HA ILE 82 HA ILE 82 -8.265 -12.281 -1.727 668 HB ILE 82 HB ILE 82 -8.548 -10.282 0.553 669 HG12 ILE 82 2HG1 ILE 82 -10.212 -10.811 -1.955 670 HG13 ILE 82 3HG1 ILE 82 -10.603 -11.365 -0.331 671 HG21 ILE 82 1HG2 ILE 82 -8.376 -8.411 -1.074 672 HG22 ILE 82 2HG2 ILE 82 -7.857 -9.553 -2.311 673 HG23 ILE 82 3HG2 ILE 82 -6.850 -9.282 -0.891 674 HD11 ILE 82 1HD1 ILE 82 -10.827 -9.015 0.368 675 HD12 ILE 82 2HD1 ILE 82 -11.962 -9.500 -0.888 676 HD13 ILE 82 3HD1 ILE 82 -10.554 -8.523 -1.304 677 H ILE 83 H ILE 83 -6.388 -11.565 1.273 678 HA ILE 83 HA ILE 83 -3.938 -10.891 0.094 679 HB ILE 83 HB ILE 83 -4.520 -12.246 2.768 680 HG12 ILE 83 2HG1 ILE 83 -5.335 -9.885 2.481 681 HG13 ILE 83 3HG1 ILE 83 -4.137 -10.036 3.759 682 HG21 ILE 83 1HG2 ILE 83 -2.205 -11.682 3.471 683 HG22 ILE 83 2HG2 ILE 83 -1.828 -11.195 1.820 684 HG23 ILE 83 3HG2 ILE 83 -2.235 -12.875 2.172 685 HD11 ILE 83 1HD1 ILE 83 -2.425 -9.103 2.244 686 HD12 ILE 83 2HD1 ILE 83 -3.789 -8.012 2.474 687 HD13 ILE 83 3HD1 ILE 83 -3.649 -8.938 0.981 688 H GLU 84 H GLU 84 -5.246 -14.083 0.942 689 HA GLU 84 HA GLU 84 -3.073 -15.740 0.332 690 HB2 GLU 84 2HB GLU 84 -5.141 -16.448 1.531 691 HB3 GLU 84 3HB GLU 84 -6.057 -16.286 0.039 692 HG2 GLU 84 2HG GLU 84 -5.665 -18.609 0.367 693 HG3 GLU 84 3HG GLU 84 -4.609 -18.100 -0.951 694 H SER 85 H SER 85 -5.775 -14.609 -1.703 695 HA SER 85 HA SER 85 -5.100 -15.871 -4.111 696 HB2 SER 85 2HB SER 85 -7.316 -14.873 -3.652 697 HB3 SER 85 3HB SER 85 -6.597 -13.260 -3.645 698 HG SER 85 HG SER 85 -7.496 -14.662 -5.719 699 H ILE 86 H ILE 86 -4.229 -12.711 -2.798 700 HA ILE 86 HA ILE 86 -2.892 -11.675 -5.065 701 HB ILE 86 HB ILE 86 -2.746 -10.931 -2.106 702 HG12 ILE 86 2HG1 ILE 86 -4.957 -10.524 -3.011 703 HG13 ILE 86 3HG1 ILE 86 -4.170 -8.966 -2.844 704 HG21 ILE 86 1HG2 ILE 86 -1.722 -8.782 -2.775 705 HG22 ILE 86 2HG2 ILE 86 -1.574 -9.372 -4.430 706 HG23 ILE 86 3HG2 ILE 86 -0.672 -10.157 -3.134 707 HD11 ILE 86 1HD1 ILE 86 -5.448 -9.068 -4.884 708 HD12 ILE 86 2HD1 ILE 86 -4.573 -10.501 -5.419 709 HD13 ILE 86 3HD1 ILE 86 -3.732 -8.952 -5.271 710 H ARG 87 H ARG 87 -1.841 -13.716 -2.386 711 HA ARG 87 HA ARG 87 0.973 -13.538 -2.904 712 HB2 ARG 87 2HB ARG 87 -0.631 -15.596 -1.325 713 HB3 ARG 87 3HB ARG 87 1.132 -15.536 -1.379 714 HG2 ARG 87 2HG ARG 87 1.003 -13.193 -0.444 715 HG3 ARG 87 3HG ARG 87 -0.728 -13.443 -0.234 716 HD2 ARG 87 2HD ARG 87 1.438 -15.129 1.036 717 HD3 ARG 87 3HD ARG 87 0.567 -13.827 1.840 718 HE ARG 87 HE ARG 87 -1.403 -15.536 1.003 719 HH11 ARG 87 1HH1 ARG 87 1.495 -15.939 2.981 720 HH12 ARG 87 2HH1 ARG 87 0.801 -17.208 3.941 721 HH21 ARG 87 1HH2 ARG 87 -2.301 -17.183 2.318 722 HH22 ARG 87 2HH2 ARG 87 -1.339 -17.907 3.565 723 H LYS 88 H LYS 88 -1.571 -15.903 -3.828 724 HA LYS 88 HA LYS 88 0.275 -17.774 -4.963 725 HB2 LYS 88 2HB LYS 88 -1.655 -18.970 -5.867 726 HB3 LYS 88 3HB LYS 88 -1.945 -18.508 -4.196 727 HG2 LYS 88 2HG LYS 88 -3.377 -16.659 -4.937 728 HG3 LYS 88 3HG LYS 88 -3.081 -17.089 -6.623 729 HD2 LYS 88 2HD LYS 88 -4.176 -19.286 -6.253 730 HD3 LYS 88 3HD LYS 88 -4.461 -18.863 -4.563 731 HE2 LYS 88 2HE LYS 88 -5.901 -16.977 -5.292 732 HE3 LYS 88 3HE LYS 88 -5.630 -17.427 -6.977 733 HZ1 LYS 88 1HZ LYS 88 -6.913 -19.143 -4.920 734 HZ2 LYS 88 2HZ LYS 88 -6.679 -19.557 -6.543 735 HZ3 LYS 88 3HZ LYS 88 -7.725 -18.289 -6.132 736 H GLN 89 H GLN 89 -1.635 -15.114 -6.322 737 HA GLN 89 HA GLN 89 -0.851 -15.517 -9.051 738 HB2 GLN 89 2HB GLN 89 -1.972 -13.055 -7.637 739 HB3 GLN 89 3HB GLN 89 -1.819 -13.232 -9.379 740 HG2 GLN 89 2HG GLN 89 -3.457 -15.041 -9.394 741 HG3 GLN 89 3HG GLN 89 -3.542 -15.005 -7.630 742 HE21 GLN 89 1HE2 GLN 89 -4.665 -13.292 -6.623 743 HE22 GLN 89 2HE2 GLN 89 -5.740 -12.262 -7.485 744 H TYR 90 H TYR 90 0.260 -13.390 -6.415 745 HA TYR 90 HA TYR 90 2.728 -12.710 -7.917 746 HB2 TYR 90 2HB TYR 90 1.219 -10.760 -6.105 747 HB3 TYR 90 3HB TYR 90 2.601 -10.405 -7.139 748 HD1 TYR 90 HD1 TYR 90 2.267 -10.452 -9.678 749 HD2 TYR 90 HD2 TYR 90 -1.026 -10.572 -6.949 750 HE1 TYR 90 HE1 TYR 90 0.748 -9.756 -11.472 751 HE2 TYR 90 HE2 TYR 90 -2.542 -9.887 -8.756 752 HH TYR 90 HH TYR 90 -2.394 -8.679 -10.913 753 HA PRO 91 HA PRO 91 3.966 -14.391 -3.766 754 HB2 PRO 91 2HB PRO 91 6.214 -15.707 -4.574 755 HB3 PRO 91 3HB PRO 91 4.590 -16.380 -4.817 756 HG2 PRO 91 2HG PRO 91 6.341 -14.958 -6.789 757 HG3 PRO 91 3HG PRO 91 5.359 -16.422 -7.012 758 HD2 PRO 91 2HD PRO 91 4.540 -13.929 -7.822 759 HD3 PRO 91 3HD PRO 91 3.413 -15.225 -7.366 760 H LYS 92 H LYS 92 5.617 -12.348 -6.051 761 HA LYS 92 HA LYS 92 7.976 -11.773 -4.578 762 HB2 LYS 92 2HB LYS 92 6.626 -10.226 -6.827 763 HB3 LYS 92 3HB LYS 92 8.246 -9.898 -6.223 764 HG2 LYS 92 2HG LYS 92 8.944 -12.185 -6.932 765 HG3 LYS 92 3HG LYS 92 7.336 -12.437 -7.619 766 HD2 LYS 92 2HD LYS 92 7.688 -10.540 -9.167 767 HD3 LYS 92 3HD LYS 92 9.277 -10.244 -8.456 768 HE2 LYS 92 2HE LYS 92 10.034 -12.463 -9.241 769 HE3 LYS 92 3HE LYS 92 8.446 -12.746 -9.963 770 HZ1 LYS 92 1HZ LYS 92 10.379 -10.622 -10.716 771 HZ2 LYS 92 2HZ LYS 92 8.815 -10.758 -11.345 772 HZ3 LYS 92 3HZ LYS 92 9.950 -11.977 -11.635 773 H VAL 93 H VAL 93 4.757 -10.488 -4.314 774 HA VAL 93 HA VAL 93 5.582 -7.887 -3.301 775 HB VAL 93 HB VAL 93 3.615 -7.911 -4.691 776 HG11 VAL 93 1HG1 VAL 93 2.289 -9.797 -2.722 777 HG12 VAL 93 2HG1 VAL 93 2.824 -10.198 -4.353 778 HG13 VAL 93 3HG1 VAL 93 1.511 -9.044 -4.119 779 HG21 VAL 93 1HG2 VAL 93 2.002 -6.707 -3.317 780 HG22 VAL 93 2HG2 VAL 93 3.639 -6.265 -2.837 781 HG23 VAL 93 3HG2 VAL 93 2.704 -7.380 -1.843 782 H GLU 94 H GLU 94 5.746 -7.255 -1.186 783 HA GLU 94 HA GLU 94 5.418 -8.998 1.039 784 HB2 GLU 94 2HB GLU 94 5.553 -5.954 0.890 785 HB3 GLU 94 3HB GLU 94 5.534 -6.844 2.406 786 HG2 GLU 94 2HG GLU 94 7.682 -7.004 0.277 787 HG3 GLU 94 3HG GLU 94 7.791 -6.128 1.804 788 H THR 95 H THR 95 3.486 -9.770 1.664 789 HA THR 95 HA THR 95 1.053 -8.079 1.458 790 HB THR 95 HB THR 95 -0.182 -10.327 1.420 791 HG1 THR 95 HG1 THR 95 2.207 -11.528 0.535 792 HG21 THR 95 1HG2 THR 95 0.139 -9.028 -0.666 793 HG22 THR 95 2HG2 THR 95 0.212 -10.763 -0.975 794 HG23 THR 95 3HG2 THR 95 1.699 -9.816 -0.917 795 H ARG 96 H ARG 96 -0.293 -7.985 3.208 796 HA ARG 96 HA ARG 96 0.056 -9.588 5.588 797 HB2 ARG 96 2HB ARG 96 1.824 -7.813 5.847 798 HB3 ARG 96 3HB ARG 96 0.588 -6.577 5.673 799 HG2 ARG 96 2HG ARG 96 -0.508 -7.631 7.783 800 HG3 ARG 96 3HG ARG 96 1.024 -8.486 7.987 801 HD2 ARG 96 2HD ARG 96 2.204 -6.278 7.981 802 HD3 ARG 96 3HD ARG 96 0.639 -5.475 7.899 803 HE ARG 96 HE ARG 96 1.941 -6.514 10.190 804 HH11 ARG 96 1HH1 ARG 96 -1.329 -5.987 8.962 805 HH12 ARG 96 2HH1 ARG 96 -2.012 -5.900 10.551 806 HH21 ARG 96 1HH2 ARG 96 1.034 -6.332 12.210 807 HH22 ARG 96 2HH2 ARG 96 -0.677 -6.089 12.389 808 H ARG 97 H ARG 97 -1.978 -9.847 6.439 809 HA ARG 97 HA ARG 97 -4.212 -8.341 5.448 810 HB2 ARG 97 2HB ARG 97 -4.468 -10.708 6.195 811 HB3 ARG 97 3HB ARG 97 -4.087 -10.229 7.848 812 HG2 ARG 97 2HG ARG 97 -6.124 -8.704 7.773 813 HG3 ARG 97 3HG ARG 97 -6.535 -9.448 6.223 814 HD2 ARG 97 2HD ARG 97 -7.773 -10.481 8.089 815 HD3 ARG 97 3HD ARG 97 -6.696 -11.645 7.306 816 HE ARG 97 HE ARG 97 -5.930 -10.240 9.796 817 HH11 ARG 97 1HH1 ARG 97 -6.417 -13.262 8.079 818 HH12 ARG 97 2HH1 ARG 97 -5.719 -14.227 9.333 819 HH21 ARG 97 1HH2 ARG 97 -4.996 -11.490 11.411 820 HH22 ARG 97 2HH2 ARG 97 -4.910 -13.215 11.245 821 H ALA 98 H ALA 98 -5.145 -6.582 6.333 822 HA ALA 98 HA ALA 98 -4.499 -5.637 9.019 823 HB1 ALA 98 1HB ALA 98 -2.774 -4.584 7.600 824 HB2 ALA 98 2HB ALA 98 -3.908 -3.377 8.202 825 HB3 ALA 98 3HB ALA 98 -4.020 -3.940 6.530 826 H GLN 99 H GLN 99 -6.499 -5.668 9.729 827 HA GLN 99 HA GLN 99 -8.795 -4.699 8.140 828 HB2 GLN 99 2HB GLN 99 -8.761 -6.162 10.825 829 HB3 GLN 99 3HB GLN 99 -10.194 -5.783 9.869 830 HG2 GLN 99 2HG GLN 99 -9.411 -7.284 8.080 831 HG3 GLN 99 3HG GLN 99 -7.960 -7.646 9.016 832 HE21 GLN 99 1HE2 GLN 99 -8.140 -8.961 10.856 833 HE22 GLN 99 2HE2 GLN 99 -9.534 -9.933 11.160 834 H ASP 100 H ASP 100 -7.246 -4.431 11.285 835 HA ASP 100 HA ASP 100 -8.703 -2.144 12.204 836 HB2 ASP 100 2HB ASP 100 -6.029 -3.221 13.221 837 HB3 ASP 100 3HB ASP 100 -7.165 -2.214 14.107 838 H LYS 101 H LYS 101 -8.026 -0.012 12.224 839 HA LYS 101 HA LYS 101 -6.242 0.953 10.224 840 HB2 LYS 101 2HB LYS 101 -6.780 3.192 11.194 841 HB3 LYS 101 3HB LYS 101 -8.203 2.222 10.849 842 HG2 LYS 101 2HG LYS 101 -8.211 1.567 13.317 843 HG3 LYS 101 3HG LYS 101 -7.006 2.829 13.567 844 HD2 LYS 101 2HD LYS 101 -8.585 4.540 12.785 845 HD3 LYS 101 3HD LYS 101 -9.775 3.299 12.379 846 HE2 LYS 101 2HE LYS 101 -9.862 2.662 14.806 847 HE3 LYS 101 3HE LYS 101 -8.779 4.011 15.161 848 HZ1 LYS 101 1HZ LYS 101 -11.467 4.253 13.903 849 HZ2 LYS 101 2HZ LYS 101 -10.437 5.541 14.283 850 HZ3 LYS 101 3HZ LYS 101 -11.104 4.597 15.518 851 H GLU 102 H GLU 102 -5.876 0.211 13.608 852 HA GLU 102 HA GLU 102 -3.283 1.343 14.003 853 HB2 GLU 102 2HB GLU 102 -3.172 -0.222 15.982 854 HB3 GLU 102 3HB GLU 102 -4.560 0.857 15.967 855 HG2 GLU 102 2HG GLU 102 -6.004 -0.950 15.180 856 HG3 GLU 102 3HG GLU 102 -4.624 -2.049 15.110 857 H GLU 103 H GLU 103 -4.395 -1.895 12.980 858 HA GLU 103 HA GLU 103 -1.917 -3.178 12.687 859 HB2 GLU 103 2HB GLU 103 -4.591 -3.521 11.296 860 HB3 GLU 103 3HB GLU 103 -3.226 -4.538 10.869 861 HG2 GLU 103 2HG GLU 103 -4.125 -4.341 13.743 862 HG3 GLU 103 3HG GLU 103 -4.981 -5.378 12.610 863 H VAL 104 H VAL 104 -3.625 -0.963 10.508 864 HA VAL 104 HA VAL 104 -1.943 -1.388 8.241 865 HB VAL 104 HB VAL 104 -3.744 1.002 8.858 866 HG11 VAL 104 1HG1 VAL 104 -2.040 1.536 7.146 867 HG12 VAL 104 2HG1 VAL 104 -3.653 1.486 6.446 868 HG13 VAL 104 3HG1 VAL 104 -2.547 0.140 6.197 869 HG21 VAL 104 1HG2 VAL 104 -5.398 -0.104 7.389 870 HG22 VAL 104 2HG2 VAL 104 -5.012 -1.106 8.788 871 HG23 VAL 104 3HG2 VAL 104 -4.320 -1.491 7.213 872 H LYS 105 H LYS 105 -2.084 1.277 10.702 873 HA LYS 105 HA LYS 105 0.084 2.724 9.556 874 HB2 LYS 105 2HB LYS 105 0.066 4.118 11.567 875 HB3 LYS 105 3HB LYS 105 -1.568 3.850 10.987 876 HG2 LYS 105 2HG LYS 105 -1.939 2.171 12.751 877 HG3 LYS 105 3HG LYS 105 -0.290 2.419 13.334 878 HD2 LYS 105 2HD LYS 105 -0.823 4.773 13.872 879 HD3 LYS 105 3HD LYS 105 -2.464 4.555 13.267 880 HE2 LYS 105 2HE LYS 105 -2.894 2.875 15.032 881 HE3 LYS 105 3HE LYS 105 -1.254 3.099 15.642 882 HZ1 LYS 105 1HZ LYS 105 -3.402 5.144 15.576 883 HZ2 LYS 105 2HZ LYS 105 -1.816 5.435 16.080 884 HZ3 LYS 105 3HZ LYS 105 -2.793 4.365 16.946 885 H ASP 106 H ASP 106 -0.017 0.355 12.229 886 HA ASP 106 HA ASP 106 2.661 0.243 12.957 887 HB2 ASP 106 2HB ASP 106 0.966 -0.954 14.193 888 HB3 ASP 106 3HB ASP 106 0.504 -1.901 12.790 889 H ALA 107 H ALA 107 0.999 -1.496 10.313 890 HA ALA 107 HA ALA 107 3.170 -3.024 9.359 891 HB1 ALA 107 1HB ALA 107 0.740 -2.016 7.842 892 HB2 ALA 107 2HB ALA 107 0.825 -3.499 8.793 893 HB3 ALA 107 3HB ALA 107 1.804 -3.334 7.335 894 H VAL 108 H VAL 108 2.018 0.208 8.556 895 HA VAL 108 HA VAL 108 3.711 0.774 6.355 896 HB VAL 108 HB VAL 108 2.256 2.629 8.302 897 HG11 VAL 108 1HG1 VAL 108 3.682 3.421 5.731 898 HG12 VAL 108 2HG1 VAL 108 4.177 3.863 7.366 899 HG13 VAL 108 3HG1 VAL 108 2.662 4.476 6.710 900 HG21 VAL 108 1HG2 VAL 108 0.674 2.952 6.433 901 HG22 VAL 108 2HG2 VAL 108 0.792 1.247 6.866 902 HG23 VAL 108 3HG2 VAL 108 1.620 1.849 5.432 903 H GLU 109 H GLU 109 3.916 1.779 9.789 904 HA GLU 109 HA GLU 109 6.333 3.127 9.786 905 HB2 GLU 109 2HB GLU 109 4.877 3.235 11.710 906 HB3 GLU 109 3HB GLU 109 4.989 1.503 11.985 907 HG2 GLU 109 2HG GLU 109 7.349 1.740 12.628 908 HG3 GLU 109 3HG GLU 109 7.281 3.467 12.287 909 H GLU 110 H GLU 110 5.724 -0.328 10.250 910 HA GLU 110 HA GLU 110 8.380 -1.103 10.896 911 HB2 GLU 110 2HB GLU 110 6.302 -2.397 11.474 912 HB3 GLU 110 3HB GLU 110 6.121 -2.827 9.771 913 HG2 GLU 110 2HG GLU 110 8.257 -4.009 9.817 914 HG3 GLU 110 3HG GLU 110 8.531 -3.525 11.486 915 H PHE 111 H PHE 111 6.521 -1.064 7.861 916 HA PHE 111 HA PHE 111 8.373 -2.357 6.158 917 HB2 PHE 111 2HB PHE 111 5.914 -1.959 5.705 918 HB3 PHE 111 3HB PHE 111 6.276 -0.272 5.389 919 HD1 PHE 111 HD1 PHE 111 6.883 -3.752 4.158 920 HD2 PHE 111 HD2 PHE 111 7.004 0.409 3.186 921 HE1 PHE 111 HE1 PHE 111 7.210 -4.302 1.782 922 HE2 PHE 111 HE2 PHE 111 7.338 -0.160 0.815 923 HZ PHE 111 HZ PHE 111 7.436 -2.512 0.113 924 H LEU 112 H LEU 112 8.034 0.946 7.213 925 HA LEU 112 HA LEU 112 9.873 2.178 5.384 926 HB2 LEU 112 2HB LEU 112 8.683 3.142 8.016 927 HB3 LEU 112 3HB LEU 112 9.597 4.156 6.907 928 HG LEU 112 HG LEU 112 6.981 2.784 6.185 929 HD11 LEU 112 1HD1 LEU 112 6.589 4.460 7.923 930 HD12 LEU 112 2HD1 LEU 112 5.892 4.949 6.383 931 HD13 LEU 112 3HD1 LEU 112 7.396 5.686 6.943 932 HD21 LEU 112 1HD2 LEU 112 8.402 3.197 4.260 933 HD22 LEU 112 2HD2 LEU 112 8.562 4.897 4.709 934 HD23 LEU 112 3HD2 LEU 112 6.990 4.246 4.236 935 H LYS 113 H LYS 113 10.036 1.189 8.835 936 HA LYS 113 HA LYS 113 12.719 2.068 9.248 937 HB2 LYS 113 2HB LYS 113 10.925 0.212 10.875 938 HB3 LYS 113 3HB LYS 113 12.537 0.708 11.400 939 HG2 LYS 113 2HG LYS 113 11.849 3.073 11.325 940 HG3 LYS 113 3HG LYS 113 10.233 2.589 10.811 941 HD2 LYS 113 2HD LYS 113 9.834 1.493 12.970 942 HD3 LYS 113 3HD LYS 113 11.492 1.834 13.481 943 HE2 LYS 113 2HE LYS 113 11.056 4.246 13.420 944 HE3 LYS 113 3HE LYS 113 9.430 3.964 12.796 945 HZ1 LYS 113 1HZ LYS 113 9.417 4.444 15.150 946 HZ2 LYS 113 2HZ LYS 113 10.422 3.127 15.470 947 HZ3 LYS 113 3HZ LYS 113 8.859 2.876 14.871 948 H GLU 114 H GLU 114 11.354 -0.898 8.051 949 HA GLU 114 HA GLU 114 13.960 -2.261 7.996 950 HB2 GLU 114 2HB GLU 114 11.195 -3.140 7.086 951 HB3 GLU 114 3HB GLU 114 12.642 -4.135 6.982 952 HG2 GLU 114 2HG GLU 114 12.850 -3.897 9.508 953 HG3 GLU 114 3HG GLU 114 11.245 -3.168 9.481 954 H GLY 115 H GLY 115 13.044 0.235 6.353 955 HA2 GLY 115 2HA GLY 115 14.144 1.120 4.508 956 HA3 GLY 115 3HA GLY 115 14.610 -0.494 4.001 957 H GLY 116 H GLY 116 12.787 -1.887 3.245 958 HA2 GLY 116 2HA GLY 116 10.342 -0.702 2.286 959 HA3 GLY 116 3HA GLY 116 11.509 -1.003 0.994 960 H SER 117 H SER 117 10.814 -2.782 3.965 961 HA SER 117 HA SER 117 9.513 -5.007 2.653 962 HB2 SER 117 2HB SER 117 11.945 -5.483 2.194 963 HB3 SER 117 3HB SER 117 12.263 -5.449 3.930 964 HG SER 117 HG SER 117 11.030 -7.273 4.193 965 H LEU 118 H LEU 118 8.936 -6.688 4.311 966 HA LEU 118 HA LEU 118 8.885 -5.697 7.113 967 HB2 LEU 118 2HB LEU 118 7.066 -7.700 5.717 968 HB3 LEU 118 3HB LEU 118 6.999 -7.332 7.433 969 HG LEU 118 HG LEU 118 6.385 -5.365 5.194 970 HD11 LEU 118 1HD1 LEU 118 4.499 -6.816 7.082 971 HD12 LEU 118 2HD1 LEU 118 4.672 -7.095 5.348 972 HD13 LEU 118 3HD1 LEU 118 4.043 -5.558 5.929 973 HD21 LEU 118 1HD2 LEU 118 7.297 -4.221 7.154 974 HD22 LEU 118 2HD2 LEU 118 6.122 -5.023 8.199 975 HD23 LEU 118 3HD2 LEU 118 5.579 -3.872 6.974 976 H GLU 119 H GLU 119 9.088 -7.447 8.755 977 HA GLU 119 HA GLU 119 11.257 -9.224 8.290 978 HB2 GLU 119 2HB GLU 119 10.722 -10.111 10.616 979 HB3 GLU 119 3HB GLU 119 11.018 -8.380 10.522 980 HG2 GLU 119 2HG GLU 119 8.662 -7.884 10.710 981 HG3 GLU 119 3HG GLU 119 8.240 -9.594 10.591 982 H HIS 120 H HIS 120 10.628 -10.375 6.502 983 HA HIS 120 HA HIS 120 9.777 -11.991 5.211 984 HB2 HIS 120 2HB HIS 120 9.425 -13.414 7.882 985 HB3 HIS 120 3HB HIS 120 9.333 -14.205 6.310 986 HD1 HIS 120 HD1 HIS 120 11.577 -14.331 4.915 987 HD2 HIS 120 HD2 HIS 120 12.026 -12.934 8.800 988 HE1 HIS 120 HE1 HIS 120 14.049 -14.352 5.365 989 HE2 HIS 120 HE2 HIS 120 14.269 -13.672 7.773 990 H HIS 121 H HIS 121 8.018 -9.907 5.899 991 HA HIS 121 HA HIS 121 5.903 -9.208 6.318 992 HB2 HIS 121 2HB HIS 121 4.228 -10.101 4.551 993 HB3 HIS 121 3HB HIS 121 5.678 -9.285 3.984 994 HD1 HIS 121 HD1 HIS 121 7.384 -10.678 2.676 995 HD2 HIS 121 HD2 HIS 121 4.104 -12.883 3.936 996 HE1 HIS 121 HE1 HIS 121 7.513 -12.849 1.425 997 HE2 HIS 121 HE2 HIS 121 5.575 -14.197 2.267 998 H HIS 122 H HIS 122 5.666 -9.842 8.431 999 HA HIS 122 HA HIS 122 4.942 -12.473 9.226 1000 HB2 HIS 122 2HB HIS 122 6.257 -11.045 10.711 1001 HB3 HIS 122 3HB HIS 122 4.962 -9.856 10.790 1002 HD1 HIS 122 HD1 HIS 122 3.162 -10.215 12.548 1003 HD2 HIS 122 HD2 HIS 122 5.645 -13.531 12.137 1004 HE1 HIS 122 HE1 HIS 122 2.490 -11.796 14.381 1005 HE2 HIS 122 HE2 HIS 122 4.074 -13.732 14.181 1006 H HIS 123 H HIS 123 3.049 -13.369 9.590 1007 HA HIS 123 HA HIS 123 0.555 -11.800 9.937 1008 HB2 HIS 123 2HB HIS 123 0.933 -14.486 8.521 1009 HB3 HIS 123 3HB HIS 123 -0.637 -13.844 8.979 1010 HD1 HIS 123 HD1 HIS 123 -1.700 -13.358 6.837 1011 HD2 HIS 123 HD2 HIS 123 2.199 -11.945 6.919 1012 HE1 HIS 123 HE1 HIS 123 -1.376 -12.154 4.679 1013 HE2 HIS 123 HE2 HIS 123 1.055 -11.572 4.645 1014 H HIS 124 H HIS 124 -0.986 -12.859 11.375 1015 HA HIS 124 HA HIS 124 0.084 -14.719 13.351 1016 HB2 HIS 124 2HB HIS 124 -2.706 -13.537 12.958 1017 HB3 HIS 124 3HB HIS 124 -2.302 -14.673 14.243 1018 HD1 HIS 124 HD1 HIS 124 -1.948 -13.492 16.381 1019 HD2 HIS 124 HD2 HIS 124 -0.668 -11.201 13.165 1020 HE1 HIS 124 HE1 HIS 124 -1.086 -11.364 17.374 1021 HE2 HIS 124 HE2 HIS 124 -0.538 -9.916 15.399 1022 H HIS 125 H HIS 125 -2.574 -14.753 10.946 1023 HA HIS 125 HA HIS 125 -1.601 -17.230 9.835 1024 HB2 HIS 125 2HB HIS 125 -3.581 -18.573 10.017 1025 HB3 HIS 125 3HB HIS 125 -3.286 -17.961 11.639 1026 HD1 HIS 125 HD1 HIS 125 -5.037 -16.204 12.561 1027 HD2 HIS 125 HD2 HIS 125 -5.988 -17.831 8.861 1028 HE1 HIS 125 HE1 HIS 125 -7.461 -15.648 12.170 1029 HE2 HIS 125 HE2 HIS 125 -7.924 -16.454 9.838 Start of MODEL 20 1 H1 MET 1 1H MET 1 15.203 8.550 0.935 2 H2 MET 1 2H MET 1 14.050 9.718 1.333 3 H3 MET 1 3H MET 1 15.694 10.115 1.348 4 HA MET 1 HA MET 1 14.598 11.014 -0.572 5 HB2 MET 1 2HB MET 1 16.161 10.189 -2.293 6 HB3 MET 1 3HB MET 1 16.989 10.377 -0.757 7 HG2 MET 1 2HG MET 1 16.824 7.925 -0.395 8 HG3 MET 1 3HG MET 1 16.062 7.766 -1.977 9 HE1 MET 1 1HE MET 1 19.387 8.376 0.003 10 HE2 MET 1 2HE MET 1 19.152 9.970 -0.717 11 HE3 MET 1 3HE MET 1 20.477 8.942 -1.261 12 H GLY 2 H GLY 2 14.237 7.495 -0.270 13 HA2 GLY 2 2HA GLY 2 12.839 6.925 -2.636 14 HA3 GLY 2 3HA GLY 2 12.797 5.977 -1.158 15 H LYS 3 H LYS 3 10.940 7.742 -3.252 16 HA LYS 3 HA LYS 3 9.234 9.239 -1.566 17 HB2 LYS 3 2HB LYS 3 9.465 9.674 -4.002 18 HB3 LYS 3 3HB LYS 3 8.688 8.136 -4.357 19 HG2 LYS 3 2HG LYS 3 7.076 9.918 -4.661 20 HG3 LYS 3 3HG LYS 3 6.592 8.977 -3.243 21 HD2 LYS 3 2HD LYS 3 7.555 10.700 -1.758 22 HD3 LYS 3 3HD LYS 3 8.145 11.603 -3.153 23 HE2 LYS 3 2HE LYS 3 5.713 11.839 -3.877 24 HE3 LYS 3 3HE LYS 3 5.269 11.179 -2.300 25 HZ1 LYS 3 1HZ LYS 3 6.900 13.635 -2.723 26 HZ2 LYS 3 2HZ LYS 3 6.398 13.015 -1.232 27 HZ3 LYS 3 3HZ LYS 3 5.256 13.609 -2.327 28 H VAL 4 H VAL 4 7.888 8.420 -0.102 29 HA VAL 4 HA VAL 4 6.621 5.799 -0.473 30 HB VAL 4 HB VAL 4 6.314 7.552 1.999 31 HG11 VAL 4 1HG1 VAL 4 4.762 5.649 1.763 32 HG12 VAL 4 2HG1 VAL 4 5.856 5.404 3.125 33 HG13 VAL 4 3HG1 VAL 4 6.128 4.536 1.613 34 HG21 VAL 4 1HG2 VAL 4 8.741 7.324 1.653 35 HG22 VAL 4 2HG2 VAL 4 8.580 5.572 1.540 36 HG23 VAL 4 3HG2 VAL 4 8.222 6.394 3.060 37 H VAL 5 H VAL 5 4.528 5.671 -1.075 38 HA VAL 5 HA VAL 5 2.722 7.984 -0.660 39 HB VAL 5 HB VAL 5 2.927 6.262 -3.188 40 HG11 VAL 5 1HG1 VAL 5 0.544 6.576 -2.651 41 HG12 VAL 5 2HG1 VAL 5 0.989 7.519 -4.073 42 HG13 VAL 5 3HG1 VAL 5 0.788 8.320 -2.513 43 HG21 VAL 5 1HG2 VAL 5 4.545 8.104 -3.153 44 HG22 VAL 5 2HG2 VAL 5 3.270 9.261 -2.774 45 HG23 VAL 5 3HG2 VAL 5 3.283 8.450 -4.339 46 H PHE 6 H PHE 6 1.095 7.395 0.615 47 HA PHE 6 HA PHE 6 0.285 4.584 0.847 48 HB2 PHE 6 2HB PHE 6 0.732 5.840 2.961 49 HB3 PHE 6 3HB PHE 6 -0.548 6.981 2.548 50 HD1 PHE 6 HD1 PHE 6 -0.030 3.281 2.864 51 HD2 PHE 6 HD2 PHE 6 -2.672 6.575 3.546 52 HE1 PHE 6 HE1 PHE 6 -1.653 1.761 3.893 53 HE2 PHE 6 HE2 PHE 6 -4.292 5.038 4.577 54 HZ PHE 6 HZ PHE 6 -3.782 2.636 4.738 55 H LEU 7 H LEU 7 -1.069 4.126 -0.774 56 HA LEU 7 HA LEU 7 -3.406 5.800 -1.376 57 HB2 LEU 7 2HB LEU 7 -2.113 4.729 -3.229 58 HB3 LEU 7 3HB LEU 7 -2.441 3.147 -2.538 59 HG LEU 7 HG LEU 7 -4.905 3.532 -2.950 60 HD11 LEU 7 1HD1 LEU 7 -3.969 6.009 -4.420 61 HD12 LEU 7 2HD1 LEU 7 -4.951 5.959 -2.954 62 HD13 LEU 7 3HD1 LEU 7 -5.602 5.337 -4.467 63 HD21 LEU 7 1HD2 LEU 7 -3.569 2.209 -4.520 64 HD22 LEU 7 2HD2 LEU 7 -3.149 3.668 -5.421 65 HD23 LEU 7 3HD2 LEU 7 -4.825 3.114 -5.363 66 H SER 8 H SER 8 -5.524 5.163 -0.686 67 HA SER 8 HA SER 8 -5.928 2.558 0.564 68 HB2 SER 8 2HB SER 8 -5.044 3.936 2.424 69 HB3 SER 8 3HB SER 8 -6.281 5.149 2.132 70 HG SER 8 HG SER 8 -7.154 3.980 3.706 71 H ASP 9 H ASP 9 -8.141 2.377 1.387 72 HA ASP 9 HA ASP 9 -10.109 3.318 -0.571 73 HB2 ASP 9 2HB ASP 9 -9.960 0.928 -0.353 74 HB3 ASP 9 3HB ASP 9 -9.950 1.006 1.402 75 H ASP 10 H ASP 10 -9.322 3.458 2.863 76 HA ASP 10 HA ASP 10 -11.826 4.972 3.422 77 HB2 ASP 10 2HB ASP 10 -12.009 2.733 4.400 78 HB3 ASP 10 3HB ASP 10 -10.442 2.895 5.183 79 H GLN 11 H GLN 11 -11.721 6.690 4.786 80 HA GLN 11 HA GLN 11 -9.363 8.243 4.796 81 HB2 GLN 11 2HB GLN 11 -11.628 9.217 4.614 82 HB3 GLN 11 3HB GLN 11 -11.990 8.717 6.262 83 HG2 GLN 11 2HG GLN 11 -11.467 11.108 6.174 84 HG3 GLN 11 3HG GLN 11 -10.251 10.251 7.119 85 HE21 GLN 11 1HE2 GLN 11 -8.133 10.075 6.272 86 HE22 GLN 11 2HE2 GLN 11 -7.587 11.056 4.962 87 H GLU 12 H GLU 12 -11.071 6.542 7.461 88 HA GLU 12 HA GLU 12 -9.585 7.656 9.608 89 HB2 GLU 12 2HB GLU 12 -11.049 4.993 9.497 90 HB3 GLU 12 3HB GLU 12 -10.482 5.783 10.970 91 HG2 GLU 12 2HG GLU 12 -12.006 7.718 10.440 92 HG3 GLU 12 3HG GLU 12 -12.637 6.784 9.081 93 H ILE 13 H ILE 13 -8.918 5.112 7.403 94 HA ILE 13 HA ILE 13 -6.750 3.820 8.749 95 HB ILE 13 HB ILE 13 -7.414 4.041 5.775 96 HG12 ILE 13 2HG1 ILE 13 -9.259 2.974 7.069 97 HG13 ILE 13 3HG1 ILE 13 -8.505 1.844 5.957 98 HG21 ILE 13 1HG2 ILE 13 -5.994 2.103 5.435 99 HG22 ILE 13 2HG2 ILE 13 -5.609 2.045 7.154 100 HG23 ILE 13 3HG2 ILE 13 -5.072 3.410 6.175 101 HD11 ILE 13 1HD1 ILE 13 -9.032 0.768 8.039 102 HD12 ILE 13 2HD1 ILE 13 -8.103 1.958 8.944 103 HD13 ILE 13 3HD1 ILE 13 -7.281 0.839 7.851 104 H ILE 14 H ILE 14 -7.024 6.255 6.161 105 HA ILE 14 HA ILE 14 -4.345 6.791 5.626 106 HB ILE 14 HB ILE 14 -6.790 8.600 5.304 107 HG12 ILE 14 2HG1 ILE 14 -5.346 6.829 3.279 108 HG13 ILE 14 3HG1 ILE 14 -6.901 6.476 4.016 109 HG21 ILE 14 1HG2 ILE 14 -4.753 9.987 5.297 110 HG22 ILE 14 2HG2 ILE 14 -5.482 9.932 3.693 111 HG23 ILE 14 3HG2 ILE 14 -4.051 8.962 4.044 112 HD11 ILE 14 1HD1 ILE 14 -6.290 8.733 2.108 113 HD12 ILE 14 2HD1 ILE 14 -7.846 8.465 2.898 114 HD13 ILE 14 3HD1 ILE 14 -7.212 7.266 1.772 115 H GLU 15 H GLU 15 -6.542 8.298 7.964 116 HA GLU 15 HA GLU 15 -5.012 10.551 8.688 117 HB2 GLU 15 2HB GLU 15 -7.141 9.020 10.247 118 HB3 GLU 15 3HB GLU 15 -6.500 10.592 10.724 119 HG2 GLU 15 2HG GLU 15 -7.361 11.603 8.653 120 HG3 GLU 15 3HG GLU 15 -7.969 10.032 8.128 121 H GLU 16 H GLU 16 -5.216 7.305 10.071 122 HA GLU 16 HA GLU 16 -3.513 7.758 12.308 123 HB2 GLU 16 2HB GLU 16 -4.521 5.244 10.938 124 HB3 GLU 16 3HB GLU 16 -3.563 5.212 12.413 125 HG2 GLU 16 2HG GLU 16 -6.165 6.743 12.203 126 HG3 GLU 16 3HG GLU 16 -6.094 5.052 12.672 127 H VAL 17 H VAL 17 -2.990 6.354 9.085 128 HA VAL 17 HA VAL 17 -0.268 5.652 9.393 129 HB VAL 17 HB VAL 17 -1.932 6.316 6.922 130 HG11 VAL 17 1HG1 VAL 17 0.394 6.720 6.310 131 HG12 VAL 17 2HG1 VAL 17 -0.135 5.203 5.580 132 HG13 VAL 17 3HG1 VAL 17 0.886 5.181 7.018 133 HG21 VAL 17 1HG2 VAL 17 -2.658 4.318 8.181 134 HG22 VAL 17 2HG2 VAL 17 -1.027 3.649 8.085 135 HG23 VAL 17 3HG2 VAL 17 -1.982 3.860 6.617 136 H SER 18 H SER 18 -1.826 8.617 8.190 137 HA SER 18 HA SER 18 0.474 10.062 7.474 138 HB2 SER 18 2HB SER 18 -1.830 10.641 6.703 139 HB3 SER 18 3HB SER 18 -2.247 11.150 8.338 140 HG SER 18 HG SER 18 0.000 12.271 7.074 141 H LYS 19 H LYS 19 -1.310 9.764 10.518 142 HA LYS 19 HA LYS 19 0.069 11.701 12.024 143 HB2 LYS 19 2HB LYS 19 -2.049 10.706 12.797 144 HB3 LYS 19 3HB LYS 19 -1.285 9.129 12.944 145 HG2 LYS 19 2HG LYS 19 -1.560 10.187 15.147 146 HG3 LYS 19 3HG LYS 19 0.145 9.955 14.765 147 HD2 LYS 19 2HD LYS 19 -0.201 12.132 15.825 148 HD3 LYS 19 3HD LYS 19 0.335 12.353 14.157 149 HE2 LYS 19 2HE LYS 19 -1.454 13.939 14.747 150 HE3 LYS 19 3HE LYS 19 -1.991 12.841 13.476 151 HZ1 LYS 19 1HZ LYS 19 -3.676 13.183 15.189 152 HZ2 LYS 19 2HZ LYS 19 -2.635 12.563 16.363 153 HZ3 LYS 19 3HZ LYS 19 -3.195 11.565 15.122 154 H LYS 20 H LYS 20 0.620 8.173 11.691 155 HA LYS 20 HA LYS 20 2.950 7.943 13.220 156 HB2 LYS 20 2HB LYS 20 1.737 5.965 12.534 157 HB3 LYS 20 3HB LYS 20 1.924 6.354 10.832 158 HG2 LYS 20 2HG LYS 20 3.349 4.459 11.538 159 HG3 LYS 20 3HG LYS 20 4.288 5.804 10.900 160 HD2 LYS 20 2HD LYS 20 5.443 4.870 12.808 161 HD3 LYS 20 3HD LYS 20 4.861 6.473 13.238 162 HE2 LYS 20 2HE LYS 20 3.286 3.998 13.981 163 HE3 LYS 20 3HE LYS 20 4.637 4.545 14.968 164 HZ1 LYS 20 1HZ LYS 20 2.601 5.403 15.836 165 HZ2 LYS 20 2HZ LYS 20 2.179 6.082 14.353 166 HZ3 LYS 20 3HZ LYS 20 3.497 6.692 15.210 167 H ALA 21 H ALA 21 2.533 8.784 9.809 168 HA ALA 21 HA ALA 21 5.244 8.836 9.027 169 HB1 ALA 21 1HB ALA 21 4.429 10.052 7.065 170 HB2 ALA 21 2HB ALA 21 2.882 10.351 7.870 171 HB3 ALA 21 3HB ALA 21 3.361 8.703 7.453 172 H GLU 22 H GLU 22 3.116 11.277 10.473 173 HA GLU 22 HA GLU 22 4.838 13.530 10.086 174 HB2 GLU 22 2HB GLU 22 2.391 13.781 10.425 175 HB3 GLU 22 3HB GLU 22 2.539 13.149 12.063 176 HG2 GLU 22 2HG GLU 22 3.989 15.098 12.657 177 HG3 GLU 22 3HG GLU 22 3.761 15.739 11.030 178 H GLU 23 H GLU 23 4.032 11.547 12.933 179 HA GLU 23 HA GLU 23 5.706 12.727 14.798 180 HB2 GLU 23 2HB GLU 23 4.829 9.815 14.679 181 HB3 GLU 23 3HB GLU 23 5.469 10.622 16.107 182 HG2 GLU 23 2HG GLU 23 2.861 11.249 14.696 183 HG3 GLU 23 3HG GLU 23 3.047 10.427 16.239 184 H GLU 24 H GLU 24 6.466 10.110 12.487 185 HA GLU 24 HA GLU 24 9.174 9.817 13.561 186 HB2 GLU 24 2HB GLU 24 7.875 8.415 11.197 187 HB3 GLU 24 3HB GLU 24 9.417 7.994 11.933 188 HG2 GLU 24 2HG GLU 24 6.677 7.757 13.205 189 HG3 GLU 24 3HG GLU 24 7.683 6.434 12.624 190 H GLY 25 H GLY 25 7.597 11.572 11.006 191 HA2 GLY 25 2HA GLY 25 8.488 13.289 9.729 192 HA3 GLY 25 3HA GLY 25 10.102 12.854 10.259 193 H TYR 26 H TYR 26 7.911 10.532 8.799 194 HA TYR 26 HA TYR 26 9.618 10.164 6.464 195 HB2 TYR 26 2HB TYR 26 7.042 8.774 7.331 196 HB3 TYR 26 3HB TYR 26 7.967 8.333 5.898 197 HD1 TYR 26 HD1 TYR 26 10.698 8.204 6.628 198 HD2 TYR 26 HD2 TYR 26 7.320 7.147 9.035 199 HE1 TYR 26 HE1 TYR 26 12.104 6.678 7.928 200 HE2 TYR 26 HE2 TYR 26 8.747 5.616 10.345 201 HH TYR 26 HH TYR 26 12.143 5.661 10.159 202 H ASP 27 H ASP 27 8.938 10.448 4.315 203 HA ASP 27 HA ASP 27 6.902 12.528 3.866 204 HB2 ASP 27 2HB ASP 27 9.141 11.494 2.063 205 HB3 ASP 27 3HB ASP 27 7.982 12.733 1.595 206 H ILE 28 H ILE 28 5.069 11.211 4.031 207 HA ILE 28 HA ILE 28 4.692 9.165 1.913 208 HB ILE 28 HB ILE 28 3.105 9.385 4.517 209 HG12 ILE 28 2HG1 ILE 28 5.463 7.568 3.828 210 HG13 ILE 28 3HG1 ILE 28 5.388 8.756 5.120 211 HG21 ILE 28 1HG2 ILE 28 3.204 7.171 2.431 212 HG22 ILE 28 2HG2 ILE 28 1.887 8.328 2.638 213 HG23 ILE 28 3HG2 ILE 28 2.239 7.159 3.910 214 HD11 ILE 28 1HD1 ILE 28 3.907 6.136 4.961 215 HD12 ILE 28 2HD1 ILE 28 3.609 7.364 6.194 216 HD13 ILE 28 3HD1 ILE 28 5.191 6.599 6.075 217 H GLN 29 H GLN 29 3.692 10.158 0.242 218 HA GLN 29 HA GLN 29 1.678 12.213 0.569 219 HB2 GLN 29 2HB GLN 29 3.144 12.258 -1.400 220 HB3 GLN 29 3HB GLN 29 2.610 10.655 -1.884 221 HG2 GLN 29 2HG GLN 29 1.574 12.429 -3.258 222 HG3 GLN 29 3HG GLN 29 0.370 11.495 -2.373 223 HE21 GLN 29 1HE2 GLN 29 1.948 14.607 -2.636 224 HE22 GLN 29 2HE2 GLN 29 0.819 15.478 -1.660 225 H THR 30 H THR 30 -0.378 11.770 1.063 226 HA THR 30 HA THR 30 -1.386 9.004 0.904 227 HB THR 30 HB THR 30 -3.148 9.855 2.512 228 HG1 THR 30 HG1 THR 30 -2.929 12.111 1.944 229 HG21 THR 30 1HG2 THR 30 -0.273 10.242 3.442 230 HG22 THR 30 2HG2 THR 30 -1.141 8.701 3.384 231 HG23 THR 30 3HG2 THR 30 -1.661 9.979 4.490 232 H SER 31 H SER 31 -3.189 8.484 -0.263 233 HA SER 31 HA SER 31 -4.726 10.507 -1.707 234 HB2 SER 31 2HB SER 31 -2.760 10.156 -3.175 235 HB3 SER 31 3HB SER 31 -3.019 8.414 -3.151 236 HG SER 31 HG SER 31 -3.891 9.234 -5.036 237 H ASN 32 H ASN 32 -6.586 9.684 -2.702 238 HA ASN 32 HA ASN 32 -7.490 6.956 -1.961 239 HB2 ASN 32 2HB ASN 32 -8.725 8.799 -0.796 240 HB3 ASN 32 3HB ASN 32 -9.165 9.486 -2.351 241 HD21 ASN 32 1HD2 ASN 32 -9.207 6.027 -1.470 242 HD22 ASN 32 2HD2 ASN 32 -10.913 5.842 -1.634 243 H ASP 33 H ASP 33 -6.631 9.045 -4.499 244 HA ASP 33 HA ASP 33 -8.334 7.754 -6.533 245 HB2 ASP 33 2HB ASP 33 -8.204 10.249 -6.538 246 HB3 ASP 33 3HB ASP 33 -6.459 10.162 -6.765 247 H LYS 34 H LYS 34 -7.464 5.825 -7.069 248 HA LYS 34 HA LYS 34 -4.712 5.148 -7.126 249 HB2 LYS 34 2HB LYS 34 -5.392 3.013 -8.024 250 HB3 LYS 34 3HB LYS 34 -6.605 3.512 -6.851 251 HG2 LYS 34 2HG LYS 34 -8.030 4.324 -8.790 252 HG3 LYS 34 3HG LYS 34 -6.849 3.593 -9.878 253 HD2 LYS 34 2HD LYS 34 -8.739 2.090 -9.573 254 HD3 LYS 34 3HD LYS 34 -7.294 1.376 -8.848 255 HE2 LYS 34 2HE LYS 34 -9.322 1.115 -7.432 256 HE3 LYS 34 3HE LYS 34 -8.047 2.012 -6.616 257 HZ1 LYS 34 1HZ LYS 34 -10.224 2.998 -6.275 258 HZ2 LYS 34 2HZ LYS 34 -10.426 3.200 -7.937 259 HZ3 LYS 34 3HZ LYS 34 -9.219 4.056 -7.125 260 H LYS 35 H LYS 35 -6.792 6.621 -9.523 261 HA LYS 35 HA LYS 35 -5.569 5.730 -11.907 262 HB2 LYS 35 2HB LYS 35 -6.986 8.395 -11.455 263 HB3 LYS 35 3HB LYS 35 -6.684 7.639 -13.017 264 HG2 LYS 35 2HG LYS 35 -8.517 6.615 -10.832 265 HG3 LYS 35 3HG LYS 35 -9.006 7.324 -12.366 266 HD2 LYS 35 2HD LYS 35 -7.489 4.696 -12.056 267 HD3 LYS 35 3HD LYS 35 -9.224 4.846 -12.333 268 HE2 LYS 35 2HE LYS 35 -8.824 5.880 -14.517 269 HE3 LYS 35 3HE LYS 35 -7.079 5.845 -14.241 270 HZ1 LYS 35 1HZ LYS 35 -8.835 3.460 -14.411 271 HZ2 LYS 35 2HZ LYS 35 -7.161 3.446 -14.197 272 HZ3 LYS 35 3HZ LYS 35 -7.826 4.021 -15.638 273 H GLU 36 H GLU 36 -4.952 8.560 -9.871 274 HA GLU 36 HA GLU 36 -2.846 9.740 -11.321 275 HB2 GLU 36 2HB GLU 36 -4.040 10.865 -9.429 276 HB3 GLU 36 3HB GLU 36 -3.324 9.716 -8.302 277 HG2 GLU 36 2HG GLU 36 -1.039 10.579 -9.087 278 HG3 GLU 36 3HG GLU 36 -1.912 11.871 -9.903 279 H ILE 37 H ILE 37 -2.904 7.343 -8.711 280 HA ILE 37 HA ILE 37 -0.155 7.316 -8.138 281 HB ILE 37 HB ILE 37 -2.307 5.240 -7.528 282 HG12 ILE 37 2HG1 ILE 37 -2.953 7.402 -6.623 283 HG13 ILE 37 3HG1 ILE 37 -2.398 6.416 -5.280 284 HG21 ILE 37 1HG2 ILE 37 -0.868 4.508 -5.669 285 HG22 ILE 37 2HG2 ILE 37 0.394 5.621 -6.199 286 HG23 ILE 37 3HG2 ILE 37 -0.075 4.268 -7.229 287 HD11 ILE 37 1HD1 ILE 37 -1.606 8.652 -5.012 288 HD12 ILE 37 2HD1 ILE 37 -0.900 8.667 -6.624 289 HD13 ILE 37 3HD1 ILE 37 -0.220 7.625 -5.372 290 H ILE 38 H ILE 38 -2.116 5.061 -10.069 291 HA ILE 38 HA ILE 38 -0.242 3.183 -10.898 292 HB ILE 38 HB ILE 38 -2.711 4.355 -12.257 293 HG12 ILE 38 2HG1 ILE 38 -2.255 1.641 -10.927 294 HG13 ILE 38 3HG1 ILE 38 -3.061 3.014 -10.180 295 HG21 ILE 38 1HG2 ILE 38 -1.129 1.992 -13.309 296 HG22 ILE 38 2HG2 ILE 38 -1.279 3.565 -14.086 297 HG23 ILE 38 3HG2 ILE 38 -2.695 2.530 -13.911 298 HD11 ILE 38 1HD1 ILE 38 -4.042 1.451 -12.567 299 HD12 ILE 38 2HD1 ILE 38 -4.829 2.878 -11.887 300 HD13 ILE 38 3HD1 ILE 38 -4.680 1.412 -10.922 301 H ASP 39 H ASP 39 -1.067 6.329 -12.281 302 HA ASP 39 HA ASP 39 0.627 6.288 -14.542 303 HB2 ASP 39 2HB ASP 39 -1.389 7.769 -14.206 304 HB3 ASP 39 3HB ASP 39 -0.479 8.701 -13.032 305 H ARG 40 H ARG 40 1.118 7.248 -11.189 306 HA ARG 40 HA ARG 40 3.652 8.578 -11.556 307 HB2 ARG 40 2HB ARG 40 2.400 7.466 -9.005 308 HB3 ARG 40 3HB ARG 40 3.755 8.594 -9.086 309 HG2 ARG 40 2HG ARG 40 2.287 10.302 -10.072 310 HG3 ARG 40 3HG ARG 40 0.945 9.167 -10.057 311 HD2 ARG 40 2HD ARG 40 0.625 10.572 -8.176 312 HD3 ARG 40 3HD ARG 40 1.217 9.039 -7.534 313 HE ARG 40 HE ARG 40 3.500 10.347 -7.708 314 HH11 ARG 40 1HH1 ARG 40 0.401 11.546 -6.528 315 HH12 ARG 40 2HH1 ARG 40 1.128 12.692 -5.451 316 HH21 ARG 40 1HH2 ARG 40 4.431 11.911 -6.353 317 HH22 ARG 40 2HH2 ARG 40 3.414 12.902 -5.350 318 H LEU 41 H LEU 41 2.609 5.316 -10.589 319 HA LEU 41 HA LEU 41 5.079 4.182 -9.936 320 HB2 LEU 41 2HB LEU 41 2.632 2.861 -11.180 321 HB3 LEU 41 3HB LEU 41 3.990 1.977 -10.498 322 HG LEU 41 HG LEU 41 2.216 3.860 -8.884 323 HD11 LEU 41 1HD1 LEU 41 2.092 0.832 -9.012 324 HD12 LEU 41 2HD1 LEU 41 0.896 1.956 -9.664 325 HD13 LEU 41 3HD1 LEU 41 1.162 1.871 -7.925 326 HD21 LEU 41 1HD2 LEU 41 3.274 2.814 -6.923 327 HD22 LEU 41 2HD2 LEU 41 4.453 3.632 -7.942 328 HD23 LEU 41 3HD2 LEU 41 4.325 1.870 -7.984 329 H LYS 42 H LYS 42 3.445 4.505 -13.095 330 HA LYS 42 HA LYS 42 5.307 3.260 -14.782 331 HB2 LYS 42 2HB LYS 42 3.725 5.797 -15.381 332 HB3 LYS 42 3HB LYS 42 4.460 4.736 -16.582 333 HG2 LYS 42 2HG LYS 42 2.928 2.921 -15.921 334 HG3 LYS 42 3HG LYS 42 2.197 3.983 -14.708 335 HD2 LYS 42 2HD LYS 42 1.538 5.560 -16.553 336 HD3 LYS 42 3HD LYS 42 2.182 4.405 -17.727 337 HE2 LYS 42 2HE LYS 42 0.550 2.720 -16.914 338 HE3 LYS 42 3HE LYS 42 -0.108 3.920 -15.800 339 HZ1 LYS 42 1HZ LYS 42 -0.654 5.300 -17.747 340 HZ2 LYS 42 2HZ LYS 42 -1.455 3.813 -17.744 341 HZ3 LYS 42 3HZ LYS 42 -0.131 4.052 -18.766 342 H ARG 43 H ARG 43 5.389 6.454 -13.304 343 HA ARG 43 HA ARG 43 7.485 7.534 -14.986 344 HB2 ARG 43 2HB ARG 43 6.092 8.634 -12.495 345 HB3 ARG 43 3HB ARG 43 7.248 9.551 -13.464 346 HG2 ARG 43 2HG ARG 43 5.773 9.465 -15.400 347 HG3 ARG 43 3HG ARG 43 4.644 8.415 -14.536 348 HD2 ARG 43 2HD ARG 43 4.225 10.248 -12.904 349 HD3 ARG 43 3HD ARG 43 5.310 11.299 -13.828 350 HE ARG 43 HE ARG 43 2.727 10.215 -14.752 351 HH11 ARG 43 1HH1 ARG 43 5.273 12.609 -15.126 352 HH12 ARG 43 2HH1 ARG 43 4.387 13.525 -16.304 353 HH21 ARG 43 1HH2 ARG 43 1.596 11.402 -16.295 354 HH22 ARG 43 2HH2 ARG 43 2.306 12.843 -16.966 355 H ARG 44 H ARG 44 7.505 5.501 -12.282 356 HA ARG 44 HA ARG 44 8.836 5.038 -10.528 357 HB2 ARG 44 2HB ARG 44 10.898 6.243 -12.408 358 HB3 ARG 44 3HB ARG 44 11.370 5.708 -10.800 359 HG2 ARG 44 2HG ARG 44 10.111 3.943 -12.932 360 HG3 ARG 44 3HG ARG 44 11.830 4.002 -12.527 361 HD2 ARG 44 2HD ARG 44 9.563 3.074 -10.728 362 HD3 ARG 44 3HD ARG 44 10.845 2.081 -11.426 363 HE ARG 44 HE ARG 44 11.401 4.238 -9.477 364 HH11 ARG 44 1HH1 ARG 44 11.787 0.870 -10.418 365 HH12 ARG 44 2HH1 ARG 44 12.894 0.516 -9.130 366 HH21 ARG 44 1HH2 ARG 44 12.870 3.784 -7.825 367 HH22 ARG 44 2HH2 ARG 44 13.510 2.176 -7.655 368 H ASN 45 H ASN 45 7.306 7.450 -10.649 369 HA ASN 45 HA ASN 45 8.566 9.572 -9.232 370 HB2 ASN 45 2HB ASN 45 6.470 9.750 -10.655 371 HB3 ASN 45 3HB ASN 45 5.590 8.886 -9.401 372 HD21 ASN 45 1HD2 ASN 45 7.184 11.864 -10.257 373 HD22 ASN 45 2HD2 ASN 45 6.503 12.819 -9.000 374 H ILE 46 H ILE 46 7.082 6.560 -8.374 375 HA ILE 46 HA ILE 46 7.283 7.083 -5.465 376 HB ILE 46 HB ILE 46 5.541 4.964 -6.819 377 HG12 ILE 46 2HG1 ILE 46 4.657 7.712 -5.810 378 HG13 ILE 46 3HG1 ILE 46 4.752 7.226 -7.498 379 HG21 ILE 46 1HG2 ILE 46 4.421 4.820 -4.621 380 HG22 ILE 46 2HG2 ILE 46 5.518 6.037 -3.969 381 HG23 ILE 46 3HG2 ILE 46 6.144 4.466 -4.478 382 HD11 ILE 46 1HD1 ILE 46 2.883 6.069 -5.428 383 HD12 ILE 46 2HD1 ILE 46 2.986 5.571 -7.121 384 HD13 ILE 46 3HD1 ILE 46 2.472 7.205 -6.712 385 H ASP 47 H ASP 47 8.794 5.879 -4.424 386 HA ASP 47 HA ASP 47 10.181 3.669 -5.802 387 HB2 ASP 47 2HB ASP 47 10.824 5.195 -3.244 388 HB3 ASP 47 3HB ASP 47 11.770 3.818 -3.814 389 H MET 48 H MET 48 8.118 4.273 -3.034 390 HA MET 48 HA MET 48 7.615 1.430 -2.758 391 HB2 MET 48 2HB MET 48 8.128 1.347 -0.355 392 HB3 MET 48 3HB MET 48 9.556 1.737 -1.293 393 HG2 MET 48 2HG MET 48 9.088 4.187 -0.668 394 HG3 MET 48 3HG MET 48 7.974 3.535 0.534 395 HE1 MET 48 1HE MET 48 9.828 0.717 1.119 396 HE2 MET 48 2HE MET 48 8.925 1.570 2.375 397 HE3 MET 48 3HE MET 48 10.649 1.261 2.580 398 H ILE 49 H ILE 49 5.575 1.039 -2.179 399 HA ILE 49 HA ILE 49 3.753 3.285 -1.593 400 HB ILE 49 HB ILE 49 3.768 3.122 -4.019 401 HG12 ILE 49 2HG1 ILE 49 1.276 1.812 -2.840 402 HG13 ILE 49 3HG1 ILE 49 1.546 3.527 -3.118 403 HG21 ILE 49 1HG2 ILE 49 3.237 0.147 -3.764 404 HG22 ILE 49 2HG2 ILE 49 4.753 0.890 -4.271 405 HG23 ILE 49 3HG2 ILE 49 3.313 1.055 -5.277 406 HD11 ILE 49 1HD1 ILE 49 1.538 3.105 -5.545 407 HD12 ILE 49 2HD1 ILE 49 0.034 2.646 -4.749 408 HD13 ILE 49 3HD1 ILE 49 1.188 1.401 -5.226 409 H ILE 50 H ILE 50 1.882 2.671 -0.523 410 HA ILE 50 HA ILE 50 1.512 -0.177 0.228 411 HB ILE 50 HB ILE 50 1.114 2.219 2.089 412 HG12 ILE 50 2HG1 ILE 50 3.332 0.129 2.199 413 HG13 ILE 50 3HG1 ILE 50 3.537 1.771 1.604 414 HG21 ILE 50 1HG2 ILE 50 0.943 -0.763 2.660 415 HG22 ILE 50 2HG2 ILE 50 -0.420 0.354 2.570 416 HG23 ILE 50 3HG2 ILE 50 0.773 0.522 3.858 417 HD11 ILE 50 1HD1 ILE 50 4.374 1.580 3.832 418 HD12 ILE 50 2HD1 ILE 50 2.829 0.969 4.415 419 HD13 ILE 50 3HD1 ILE 50 2.961 2.629 3.824 420 H VAL 51 H VAL 51 -0.490 -0.840 -0.340 421 HA VAL 51 HA VAL 51 -2.651 1.153 -0.740 422 HB VAL 51 HB VAL 51 -2.228 -1.466 -2.268 423 HG11 VAL 51 1HG1 VAL 51 -4.108 -0.727 -3.703 424 HG12 VAL 51 2HG1 VAL 51 -4.348 0.685 -2.672 425 HG13 VAL 51 3HG1 VAL 51 -4.630 -0.934 -2.027 426 HG21 VAL 51 1HG2 VAL 51 -1.870 1.409 -3.193 427 HG22 VAL 51 2HG2 VAL 51 -1.750 -0.018 -4.222 428 HG23 VAL 51 3HG2 VAL 51 -0.580 0.232 -2.926 429 H LYS 52 H LYS 52 -3.979 0.997 0.946 430 HA LYS 52 HA LYS 52 -4.773 -1.625 2.036 431 HB2 LYS 52 2HB LYS 52 -4.163 -0.121 3.792 432 HB3 LYS 52 3HB LYS 52 -5.037 1.221 3.067 433 HG2 LYS 52 2HG LYS 52 -6.163 0.374 5.085 434 HG3 LYS 52 3HG LYS 52 -7.179 0.215 3.655 435 HD2 LYS 52 2HD LYS 52 -6.616 -2.207 3.546 436 HD3 LYS 52 3HD LYS 52 -5.606 -2.036 4.986 437 HE2 LYS 52 2HE LYS 52 -7.521 -1.529 6.361 438 HE3 LYS 52 3HE LYS 52 -8.571 -1.365 4.950 439 HZ1 LYS 52 1HZ LYS 52 -8.373 -3.680 4.524 440 HZ2 LYS 52 2HZ LYS 52 -8.846 -3.478 6.131 441 HZ3 LYS 52 3HZ LYS 52 -7.250 -3.888 5.757 442 H THR 53 H THR 53 -6.296 -2.480 0.757 443 HA THR 53 HA THR 53 -8.936 -1.430 0.831 444 HB THR 53 HB THR 53 -8.194 -0.113 -1.142 445 HG1 THR 53 HG1 THR 53 -10.099 -0.435 -1.989 446 HG21 THR 53 1HG2 THR 53 -6.434 -1.604 -2.029 447 HG22 THR 53 2HG2 THR 53 -7.615 -1.196 -3.277 448 HG23 THR 53 3HG2 THR 53 -7.660 -2.780 -2.500 449 H GLU 54 H GLU 54 -10.491 -2.956 -0.023 450 HA GLU 54 HA GLU 54 -9.536 -5.753 0.029 451 HB2 GLU 54 2HB GLU 54 -12.241 -4.493 0.615 452 HB3 GLU 54 3HB GLU 54 -12.071 -6.223 0.349 453 HG2 GLU 54 2HG GLU 54 -12.150 -5.729 2.726 454 HG3 GLU 54 3HG GLU 54 -10.582 -6.400 2.288 455 H ASP 55 H ASP 55 -10.402 -3.411 -2.217 456 HA ASP 55 HA ASP 55 -11.887 -5.101 -4.036 457 HB2 ASP 55 2HB ASP 55 -12.165 -2.587 -3.991 458 HB3 ASP 55 3HB ASP 55 -10.541 -2.429 -4.652 459 H LYS 56 H LYS 56 -10.898 -6.734 -4.843 460 HA LYS 56 HA LYS 56 -8.185 -7.318 -4.862 461 HB2 LYS 56 2HB LYS 56 -10.314 -8.647 -6.601 462 HB3 LYS 56 3HB LYS 56 -8.734 -9.308 -6.226 463 HG2 LYS 56 2HG LYS 56 -10.176 -10.515 -4.845 464 HG3 LYS 56 3HG LYS 56 -9.502 -9.301 -3.757 465 HD2 LYS 56 2HD LYS 56 -11.545 -8.006 -3.814 466 HD3 LYS 56 3HD LYS 56 -12.188 -8.960 -5.152 467 HE2 LYS 56 2HE LYS 56 -11.653 -10.062 -2.372 468 HE3 LYS 56 3HE LYS 56 -13.224 -9.496 -2.939 469 HZ1 LYS 56 1HZ LYS 56 -13.238 -11.194 -4.617 470 HZ2 LYS 56 2HZ LYS 56 -12.952 -11.916 -3.114 471 HZ3 LYS 56 3HZ LYS 56 -11.679 -11.695 -4.205 472 H GLU 57 H GLU 57 -10.178 -5.866 -7.367 473 HA GLU 57 HA GLU 57 -8.273 -6.200 -9.523 474 HB2 GLU 57 2HB GLU 57 -10.852 -4.583 -9.376 475 HB3 GLU 57 3HB GLU 57 -9.883 -4.782 -10.836 476 HG2 GLU 57 2HG GLU 57 -10.238 -7.268 -10.665 477 HG3 GLU 57 3HG GLU 57 -11.314 -6.977 -9.299 478 H SER 58 H SER 58 -9.074 -3.622 -7.218 479 HA SER 58 HA SER 58 -7.518 -1.535 -8.381 480 HB2 SER 58 2HB SER 58 -8.266 -2.005 -5.451 481 HB3 SER 58 3HB SER 58 -7.600 -0.501 -6.101 482 HG SER 58 HG SER 58 -10.153 -1.503 -6.234 483 H ILE 59 H ILE 59 -6.920 -3.927 -5.870 484 HA ILE 59 HA ILE 59 -4.268 -3.423 -5.184 485 HB ILE 59 HB ILE 59 -5.874 -6.025 -5.253 486 HG12 ILE 59 2HG1 ILE 59 -5.221 -4.195 -2.893 487 HG13 ILE 59 3HG1 ILE 59 -6.757 -4.217 -3.750 488 HG21 ILE 59 1HG2 ILE 59 -4.218 -6.980 -3.687 489 HG22 ILE 59 2HG2 ILE 59 -3.212 -5.548 -3.890 490 HG23 ILE 59 3HG2 ILE 59 -3.509 -6.613 -5.262 491 HD11 ILE 59 1HD1 ILE 59 -5.591 -6.458 -2.095 492 HD12 ILE 59 2HD1 ILE 59 -7.084 -6.563 -3.032 493 HD13 ILE 59 3HD1 ILE 59 -6.964 -5.425 -1.694 494 H SER 60 H SER 60 -5.644 -5.614 -7.627 495 HA SER 60 HA SER 60 -3.367 -6.868 -8.563 496 HB2 SER 60 2HB SER 60 -5.636 -7.649 -9.085 497 HB3 SER 60 3HB SER 60 -5.937 -6.216 -10.066 498 HG SER 60 HG SER 60 -5.361 -7.838 -11.439 499 H GLU 61 H GLU 61 -4.953 -3.919 -9.882 500 HA GLU 61 HA GLU 61 -3.239 -3.607 -12.088 501 HB2 GLU 61 2HB GLU 61 -5.030 -1.614 -10.653 502 HB3 GLU 61 3HB GLU 61 -4.123 -1.198 -12.105 503 HG2 GLU 61 2HG GLU 61 -6.293 -3.301 -11.862 504 HG3 GLU 61 3HG GLU 61 -6.410 -1.752 -12.696 505 H ILE 62 H ILE 62 -3.090 -2.067 -8.840 506 HA ILE 62 HA ILE 62 -0.856 -0.433 -9.303 507 HB ILE 62 HB ILE 62 -2.093 -1.574 -6.792 508 HG12 ILE 62 2HG1 ILE 62 -2.230 0.877 -6.164 509 HG13 ILE 62 3HG1 ILE 62 -1.459 1.282 -7.691 510 HG21 ILE 62 1HG2 ILE 62 -0.382 -0.474 -5.348 511 HG22 ILE 62 2HG2 ILE 62 0.604 -0.176 -6.776 512 HG23 ILE 62 3HG2 ILE 62 0.276 -1.831 -6.264 513 HD11 ILE 62 1HD1 ILE 62 -3.849 1.659 -7.759 514 HD12 ILE 62 2HD1 ILE 62 -4.148 -0.031 -7.355 515 HD13 ILE 62 3HD1 ILE 62 -3.391 0.389 -8.894 516 H ILE 63 H ILE 63 -1.003 -3.815 -8.098 517 HA ILE 63 HA ILE 63 1.755 -4.168 -7.614 518 HB ILE 63 HB ILE 63 -0.291 -6.304 -8.379 519 HG12 ILE 63 2HG1 ILE 63 0.678 -5.473 -5.602 520 HG13 ILE 63 3HG1 ILE 63 -0.855 -4.974 -6.312 521 HG21 ILE 63 1HG2 ILE 63 2.445 -6.632 -7.067 522 HG22 ILE 63 2HG2 ILE 63 2.010 -7.140 -8.700 523 HG23 ILE 63 3HG2 ILE 63 1.266 -7.924 -7.309 524 HD11 ILE 63 1HD1 ILE 63 -0.042 -7.810 -5.700 525 HD12 ILE 63 2HD1 ILE 63 -1.577 -7.298 -6.411 526 HD13 ILE 63 3HD1 ILE 63 -1.156 -6.807 -4.773 527 H LYS 64 H LYS 64 -0.220 -4.747 -10.527 528 HA LYS 64 HA LYS 64 1.669 -5.963 -12.199 529 HB2 LYS 64 2HB LYS 64 -0.737 -4.194 -12.767 530 HB3 LYS 64 3HB LYS 64 0.201 -4.936 -14.059 531 HG2 LYS 64 2HG LYS 64 -0.426 -7.141 -13.397 532 HG3 LYS 64 3HG LYS 64 -1.070 -6.581 -11.855 533 HD2 LYS 64 2HD LYS 64 -2.864 -7.189 -13.452 534 HD3 LYS 64 3HD LYS 64 -2.950 -5.495 -12.980 535 HE2 LYS 64 2HE LYS 64 -1.563 -6.298 -15.551 536 HE3 LYS 64 3HE LYS 64 -3.316 -6.141 -15.485 537 HZ1 LYS 64 1HZ LYS 64 -3.042 -3.843 -14.744 538 HZ2 LYS 64 2HZ LYS 64 -2.322 -4.105 -16.250 539 HZ3 LYS 64 3HZ LYS 64 -1.361 -3.983 -14.871 540 H GLN 65 H GLN 65 0.965 -2.531 -11.588 541 HA GLN 65 HA GLN 65 2.853 -1.459 -13.452 542 HB2 GLN 65 2HB GLN 65 1.661 -0.154 -10.968 543 HB3 GLN 65 3HB GLN 65 2.469 0.687 -12.286 544 HG2 GLN 65 2HG GLN 65 -0.167 -0.792 -12.427 545 HG3 GLN 65 3HG GLN 65 0.069 0.950 -12.478 546 HE21 GLN 65 1HE2 GLN 65 0.961 1.866 -14.361 547 HE22 GLN 65 2HE2 GLN 65 0.932 1.041 -15.876 548 H VAL 66 H VAL 66 3.040 -2.440 -10.068 549 HA VAL 66 HA VAL 66 5.578 -1.180 -9.519 550 HB VAL 66 HB VAL 66 3.909 -3.157 -7.896 551 HG11 VAL 66 1HG1 VAL 66 6.218 -3.449 -7.203 552 HG12 VAL 66 2HG1 VAL 66 5.386 -2.511 -5.967 553 HG13 VAL 66 3HG1 VAL 66 6.459 -1.706 -7.106 554 HG21 VAL 66 1HG2 VAL 66 4.339 -0.157 -7.574 555 HG22 VAL 66 2HG2 VAL 66 3.384 -1.178 -6.494 556 HG23 VAL 66 3HG2 VAL 66 2.870 -0.937 -8.163 557 H LEU 67 H LEU 67 4.539 -4.403 -10.535 558 HA LEU 67 HA LEU 67 6.998 -5.786 -10.151 559 HB2 LEU 67 2HB LEU 67 4.745 -6.309 -12.141 560 HB3 LEU 67 3HB LEU 67 6.074 -7.419 -11.842 561 HG LEU 67 HG LEU 67 3.952 -6.632 -9.803 562 HD11 LEU 67 1HD1 LEU 67 3.009 -8.012 -11.575 563 HD12 LEU 67 2HD1 LEU 67 3.092 -8.912 -10.064 564 HD13 LEU 67 3HD1 LEU 67 4.272 -9.225 -11.341 565 HD21 LEU 67 1HD2 LEU 67 4.886 -8.408 -8.381 566 HD22 LEU 67 2HD2 LEU 67 6.068 -7.138 -8.687 567 HD23 LEU 67 3HD2 LEU 67 6.184 -8.675 -9.550 568 H ASP 68 H ASP 68 5.613 -3.822 -12.695 569 HA ASP 68 HA ASP 68 7.636 -4.273 -14.682 570 HB2 ASP 68 2HB ASP 68 5.316 -3.806 -15.319 571 HB3 ASP 68 3HB ASP 68 5.356 -2.256 -14.485 572 H SER 69 H SER 69 6.913 -1.684 -12.337 573 HA SER 69 HA SER 69 8.915 0.131 -13.371 574 HB2 SER 69 2HB SER 69 8.261 1.544 -11.430 575 HB3 SER 69 3HB SER 69 6.849 0.984 -12.320 576 HG SER 69 HG SER 69 6.184 0.220 -10.505 577 H GLY 70 H GLY 70 8.603 -2.080 -10.635 578 HA2 GLY 70 2HA GLY 70 10.306 -3.239 -9.549 579 HA3 GLY 70 3HA GLY 70 11.504 -2.135 -10.207 580 H ALA 71 H ALA 71 8.517 -1.469 -8.385 581 HA ALA 71 HA ALA 71 10.070 -0.062 -6.296 582 HB1 ALA 71 1HB ALA 71 7.922 0.952 -5.645 583 HB2 ALA 71 2HB ALA 71 7.074 -0.017 -6.853 584 HB3 ALA 71 3HB ALA 71 8.232 1.212 -7.362 585 H LYS 72 H LYS 72 9.095 -0.321 -4.031 586 HA LYS 72 HA LYS 72 8.423 -3.132 -3.406 587 HB2 LYS 72 2HB LYS 72 9.228 -0.745 -1.674 588 HB3 LYS 72 3HB LYS 72 8.542 -2.201 -0.968 589 HG2 LYS 72 2HG LYS 72 10.930 -2.312 -0.744 590 HG3 LYS 72 3HG LYS 72 10.430 -3.523 -1.919 591 HD2 LYS 72 2HD LYS 72 12.467 -2.446 -2.696 592 HD3 LYS 72 3HD LYS 72 11.137 -1.978 -3.759 593 HE2 LYS 72 2HE LYS 72 10.968 0.194 -2.601 594 HE3 LYS 72 3HE LYS 72 12.254 -0.289 -1.491 595 HZ1 LYS 72 1HZ LYS 72 12.574 -0.040 -4.429 596 HZ2 LYS 72 2HZ LYS 72 13.785 -0.382 -3.310 597 HZ3 LYS 72 3HZ LYS 72 13.038 1.133 -3.302 598 H VAL 73 H VAL 73 6.325 -3.693 -2.836 599 HA VAL 73 HA VAL 73 4.379 -1.520 -2.315 600 HB VAL 73 HB VAL 73 4.026 -2.118 -4.646 601 HG11 VAL 73 1HG1 VAL 73 4.985 -4.347 -4.743 602 HG12 VAL 73 2HG1 VAL 73 3.343 -4.377 -5.390 603 HG13 VAL 73 3HG1 VAL 73 3.665 -4.998 -3.769 604 HG21 VAL 73 1HG2 VAL 73 1.783 -3.238 -2.916 605 HG22 VAL 73 2HG2 VAL 73 1.622 -2.710 -4.594 606 HG23 VAL 73 3HG2 VAL 73 2.030 -1.541 -3.337 607 H LEU 74 H LEU 74 3.279 -1.836 -0.535 608 HA LEU 74 HA LEU 74 3.048 -4.512 0.677 609 HB2 LEU 74 2HB LEU 74 4.230 -2.907 2.081 610 HB3 LEU 74 3HB LEU 74 2.931 -1.736 1.913 611 HG LEU 74 HG LEU 74 1.407 -3.246 3.181 612 HD11 LEU 74 1HD1 LEU 74 3.814 -5.049 3.527 613 HD12 LEU 74 2HD1 LEU 74 2.340 -5.410 2.625 614 HD13 LEU 74 3HD1 LEU 74 2.271 -5.209 4.373 615 HD21 LEU 74 1HD2 LEU 74 2.637 -1.502 4.370 616 HD22 LEU 74 2HD2 LEU 74 3.978 -2.616 4.658 617 HD23 LEU 74 3HD2 LEU 74 2.400 -2.920 5.390 618 H ILE 75 H ILE 75 1.163 -5.353 0.080 619 HA ILE 75 HA ILE 75 -1.267 -3.765 -0.204 620 HB ILE 75 HB ILE 75 -0.691 -6.712 -0.736 621 HG12 ILE 75 2HG1 ILE 75 0.376 -5.234 -2.375 622 HG13 ILE 75 3HG1 ILE 75 -0.964 -6.077 -3.135 623 HG21 ILE 75 1HG2 ILE 75 -3.289 -5.211 -1.239 624 HG22 ILE 75 2HG2 ILE 75 -3.041 -6.493 -0.049 625 HG23 ILE 75 3HG2 ILE 75 -2.936 -6.858 -1.774 626 HD11 ILE 75 1HD1 ILE 75 -2.336 -4.036 -2.936 627 HD12 ILE 75 2HD1 ILE 75 -0.863 -3.792 -3.873 628 HD13 ILE 75 3HD1 ILE 75 -0.953 -3.200 -2.216 629 H LEU 76 H LEU 76 -2.410 -3.402 1.531 630 HA LEU 76 HA LEU 76 -2.536 -5.338 3.758 631 HB2 LEU 76 2HB LEU 76 -3.055 -2.329 3.727 632 HB3 LEU 76 3HB LEU 76 -3.228 -3.367 5.136 633 HG LEU 76 HG LEU 76 -0.602 -2.834 3.674 634 HD11 LEU 76 1HD1 LEU 76 -1.370 -0.847 4.866 635 HD12 LEU 76 2HD1 LEU 76 0.059 -1.536 5.628 636 HD13 LEU 76 3HD1 LEU 76 -1.534 -1.780 6.356 637 HD21 LEU 76 1HD2 LEU 76 -1.119 -4.384 6.229 638 HD22 LEU 76 2HD2 LEU 76 0.468 -3.987 5.562 639 HD23 LEU 76 3HD2 LEU 76 -0.615 -5.054 4.675 640 H SER 77 H SER 77 -4.438 -6.358 3.993 641 HA SER 77 HA SER 77 -6.960 -5.098 3.223 642 HB2 SER 77 2HB SER 77 -6.248 -6.391 1.190 643 HB3 SER 77 3HB SER 77 -6.161 -7.857 2.168 644 HG SER 77 HG SER 77 -8.455 -6.290 1.584 645 H SER 78 H SER 78 -8.779 -6.106 4.248 646 HA SER 78 HA SER 78 -8.150 -6.990 6.914 647 HB2 SER 78 2HB SER 78 -10.652 -6.939 7.214 648 HB3 SER 78 3HB SER 78 -9.976 -5.427 6.608 649 HG SER 78 HG SER 78 -11.653 -7.246 5.373 650 H ASP 79 H ASP 79 -9.415 -8.479 3.978 651 HA ASP 79 HA ASP 79 -10.034 -10.985 5.347 652 HB2 ASP 79 2HB ASP 79 -11.614 -10.233 3.642 653 HB3 ASP 79 3HB ASP 79 -10.333 -10.160 2.434 654 H GLU 80 H GLU 80 -8.749 -12.667 5.423 655 HA GLU 80 HA GLU 80 -6.012 -12.531 4.582 656 HB2 GLU 80 2HB GLU 80 -5.763 -14.685 5.758 657 HB3 GLU 80 3HB GLU 80 -6.627 -13.513 6.747 658 HG2 GLU 80 2HG GLU 80 -8.788 -14.606 6.073 659 HG3 GLU 80 3HG GLU 80 -7.855 -15.843 5.231 660 H ASN 81 H ASN 81 -8.888 -13.788 3.136 661 HA ASN 81 HA ASN 81 -7.552 -15.802 1.504 662 HB2 ASN 81 2HB ASN 81 -10.416 -14.735 1.395 663 HB3 ASN 81 3HB ASN 81 -9.804 -16.091 0.450 664 HD21 ASN 81 1HD2 ASN 81 -10.746 -15.028 3.632 665 HD22 ASN 81 2HD2 ASN 81 -10.797 -16.591 4.361 666 H ILE 82 H ILE 82 -8.650 -12.431 1.217 667 HA ILE 82 HA ILE 82 -7.989 -12.046 -1.524 668 HB ILE 82 HB ILE 82 -7.913 -10.032 0.781 669 HG12 ILE 82 2HG1 ILE 82 -9.997 -10.491 -1.401 670 HG13 ILE 82 3HG1 ILE 82 -10.166 -10.950 0.289 671 HG21 ILE 82 1HG2 ILE 82 -7.714 -9.455 -2.207 672 HG22 ILE 82 2HG2 ILE 82 -6.418 -9.248 -1.029 673 HG23 ILE 82 3HG2 ILE 82 -7.860 -8.235 -0.939 674 HD11 ILE 82 1HD1 ILE 82 -9.983 -8.148 -0.798 675 HD12 ILE 82 2HD1 ILE 82 -10.070 -8.574 0.916 676 HD13 ILE 82 3HD1 ILE 82 -11.414 -8.958 -0.159 677 H ILE 83 H ILE 83 -6.143 -11.422 1.501 678 HA ILE 83 HA ILE 83 -3.673 -10.724 0.458 679 HB ILE 83 HB ILE 83 -4.351 -12.245 3.015 680 HG12 ILE 83 2HG1 ILE 83 -5.251 -9.923 2.840 681 HG13 ILE 83 3HG1 ILE 83 -4.071 -10.061 4.137 682 HG21 ILE 83 1HG2 ILE 83 -1.640 -11.058 2.303 683 HG22 ILE 83 2HG2 ILE 83 -2.009 -12.771 2.520 684 HG23 ILE 83 3HG2 ILE 83 -2.100 -11.668 3.894 685 HD11 ILE 83 1HD1 ILE 83 -3.594 -8.831 1.413 686 HD12 ILE 83 2HD1 ILE 83 -2.382 -8.988 2.690 687 HD13 ILE 83 3HD1 ILE 83 -3.805 -7.979 2.942 688 H GLU 84 H GLU 84 -4.917 -13.995 1.127 689 HA GLU 84 HA GLU 84 -2.587 -15.465 0.503 690 HB2 GLU 84 2HB GLU 84 -4.587 -16.320 1.800 691 HB3 GLU 84 3HB GLU 84 -5.477 -16.420 0.285 692 HG2 GLU 84 2HG GLU 84 -4.707 -18.624 0.781 693 HG3 GLU 84 3HG GLU 84 -3.711 -18.037 -0.549 694 H SER 85 H SER 85 -5.462 -14.631 -1.480 695 HA SER 85 HA SER 85 -4.724 -15.954 -3.846 696 HB2 SER 85 2HB SER 85 -6.459 -13.474 -3.467 697 HB3 SER 85 3HB SER 85 -6.358 -14.413 -4.960 698 HG SER 85 HG SER 85 -7.910 -14.855 -2.872 699 H ILE 86 H ILE 86 -3.944 -12.730 -2.626 700 HA ILE 86 HA ILE 86 -2.677 -11.774 -5.004 701 HB ILE 86 HB ILE 86 -2.546 -10.792 -2.114 702 HG12 ILE 86 2HG1 ILE 86 -4.808 -10.620 -3.057 703 HG13 ILE 86 3HG1 ILE 86 -4.124 -9.008 -2.926 704 HG21 ILE 86 1HG2 ILE 86 -1.676 -8.649 -3.021 705 HG22 ILE 86 2HG2 ILE 86 -1.533 -9.395 -4.614 706 HG23 ILE 86 3HG2 ILE 86 -0.554 -9.989 -3.272 707 HD11 ILE 86 1HD1 ILE 86 -3.661 -9.027 -5.344 708 HD12 ILE 86 2HD1 ILE 86 -5.368 -9.260 -4.973 709 HD13 ILE 86 3HD1 ILE 86 -4.383 -10.639 -5.457 710 H ARG 87 H ARG 87 -1.587 -13.636 -2.217 711 HA ARG 87 HA ARG 87 1.232 -13.342 -2.696 712 HB2 ARG 87 2HB ARG 87 -0.263 -15.447 -1.069 713 HB3 ARG 87 3HB ARG 87 1.492 -15.270 -1.106 714 HG2 ARG 87 2HG ARG 87 1.109 -12.865 -0.292 715 HG3 ARG 87 3HG ARG 87 -0.549 -13.358 0.034 716 HD2 ARG 87 2HD ARG 87 1.919 -14.646 1.230 717 HD3 ARG 87 3HD ARG 87 0.914 -13.439 2.029 718 HE ARG 87 HE ARG 87 -0.455 -15.875 1.188 719 HH11 ARG 87 1HH1 ARG 87 1.185 -14.190 3.821 720 HH12 ARG 87 2HH1 ARG 87 0.478 -15.185 5.055 721 HH21 ARG 87 1HH2 ARG 87 -1.328 -17.196 2.835 722 HH22 ARG 87 2HH2 ARG 87 -0.940 -16.884 4.495 723 H LYS 88 H LYS 88 -1.228 -15.705 -3.753 724 HA LYS 88 HA LYS 88 0.768 -17.501 -4.873 725 HB2 LYS 88 2HB LYS 88 -1.117 -18.864 -5.665 726 HB3 LYS 88 3HB LYS 88 -1.273 -18.464 -3.962 727 HG2 LYS 88 2HG LYS 88 -2.905 -16.662 -4.602 728 HG3 LYS 88 3HG LYS 88 -2.834 -17.249 -6.264 729 HD2 LYS 88 2HD LYS 88 -3.781 -18.827 -3.834 730 HD3 LYS 88 3HD LYS 88 -4.807 -18.138 -5.093 731 HE2 LYS 88 2HE LYS 88 -2.745 -20.335 -5.505 732 HE3 LYS 88 3HE LYS 88 -4.493 -20.560 -5.426 733 HZ1 LYS 88 1HZ LYS 88 -3.026 -19.007 -7.494 734 HZ2 LYS 88 2HZ LYS 88 -4.711 -19.161 -7.399 735 HZ3 LYS 88 3HZ LYS 88 -3.753 -20.519 -7.694 736 H GLN 89 H GLN 89 -1.494 -15.074 -6.181 737 HA GLN 89 HA GLN 89 -0.888 -15.498 -8.932 738 HB2 GLN 89 2HB GLN 89 -1.982 -13.033 -7.511 739 HB3 GLN 89 3HB GLN 89 -1.933 -13.232 -9.261 740 HG2 GLN 89 2HG GLN 89 -3.475 -15.143 -9.096 741 HG3 GLN 89 3HG GLN 89 -3.513 -14.973 -7.341 742 HE21 GLN 89 1HE2 GLN 89 -4.586 -13.135 -6.442 743 HE22 GLN 89 2HE2 GLN 89 -5.752 -12.245 -7.352 744 H TYR 90 H TYR 90 0.316 -13.249 -6.470 745 HA TYR 90 HA TYR 90 2.641 -12.549 -8.180 746 HB2 TYR 90 2HB TYR 90 1.363 -10.627 -6.175 747 HB3 TYR 90 3HB TYR 90 2.542 -10.263 -7.431 748 HD1 TYR 90 HD1 TYR 90 1.772 -10.468 -9.905 749 HD2 TYR 90 HD2 TYR 90 -0.972 -10.361 -6.617 750 HE1 TYR 90 HE1 TYR 90 -0.049 -9.861 -11.436 751 HE2 TYR 90 HE2 TYR 90 -2.795 -9.752 -8.159 752 HH TYR 90 HH TYR 90 -2.988 -8.648 -10.447 753 HA PRO 91 HA PRO 91 4.298 -14.357 -4.227 754 HB2 PRO 91 2HB PRO 91 6.704 -15.195 -5.381 755 HB3 PRO 91 3HB PRO 91 5.232 -16.180 -5.292 756 HG2 PRO 91 2HG PRO 91 6.276 -14.564 -7.594 757 HG3 PRO 91 3HG PRO 91 5.533 -16.183 -7.590 758 HD2 PRO 91 2HD PRO 91 4.129 -13.989 -8.314 759 HD3 PRO 91 3HD PRO 91 3.363 -15.341 -7.449 760 H LYS 92 H LYS 92 5.724 -12.061 -6.535 761 HA LYS 92 HA LYS 92 7.890 -11.280 -4.787 762 HB2 LYS 92 2HB LYS 92 6.952 -10.043 -7.405 763 HB3 LYS 92 3HB LYS 92 8.447 -9.638 -6.564 764 HG2 LYS 92 2HG LYS 92 9.133 -12.082 -6.839 765 HG3 LYS 92 3HG LYS 92 7.740 -12.275 -7.906 766 HD2 LYS 92 2HD LYS 92 10.069 -10.354 -8.337 767 HD3 LYS 92 3HD LYS 92 9.822 -11.883 -9.182 768 HE2 LYS 92 2HE LYS 92 7.909 -9.523 -9.324 769 HE3 LYS 92 3HE LYS 92 9.149 -9.885 -10.524 770 HZ1 LYS 92 1HZ LYS 92 6.908 -10.702 -11.107 771 HZ2 LYS 92 2HZ LYS 92 6.972 -11.763 -9.790 772 HZ3 LYS 92 3HZ LYS 92 8.076 -11.921 -11.058 773 H VAL 93 H VAL 93 4.652 -10.440 -4.650 774 HA VAL 93 HA VAL 93 4.984 -7.642 -3.907 775 HB VAL 93 HB VAL 93 2.866 -8.519 -4.986 776 HG11 VAL 93 1HG1 VAL 93 2.739 -10.676 -3.744 777 HG12 VAL 93 2HG1 VAL 93 1.221 -9.785 -3.733 778 HG13 VAL 93 3HG1 VAL 93 2.254 -9.792 -2.301 779 HG21 VAL 93 1HG2 VAL 93 2.780 -6.388 -3.810 780 HG22 VAL 93 2HG2 VAL 93 2.478 -7.202 -2.279 781 HG23 VAL 93 3HG2 VAL 93 1.265 -7.254 -3.562 782 H GLU 94 H GLU 94 4.968 -6.808 -1.762 783 HA GLU 94 HA GLU 94 5.150 -8.668 0.499 784 HB2 GLU 94 2HB GLU 94 5.305 -5.615 0.329 785 HB3 GLU 94 3HB GLU 94 5.239 -6.473 1.862 786 HG2 GLU 94 2HG GLU 94 7.525 -5.890 1.407 787 HG3 GLU 94 3HG GLU 94 7.348 -7.639 1.286 788 H THR 95 H THR 95 3.283 -9.395 1.369 789 HA THR 95 HA THR 95 0.913 -7.605 1.500 790 HB THR 95 HB THR 95 -0.471 -9.747 1.611 791 HG1 THR 95 HG1 THR 95 1.969 -10.844 1.608 792 HG21 THR 95 1HG2 THR 95 -0.454 -10.198 -0.815 793 HG22 THR 95 2HG2 THR 95 1.063 -9.307 -0.972 794 HG23 THR 95 3HG2 THR 95 -0.409 -8.468 -0.481 795 H ARG 96 H ARG 96 -0.235 -7.658 3.383 796 HA ARG 96 HA ARG 96 0.414 -9.389 5.601 797 HB2 ARG 96 2HB ARG 96 2.189 -7.763 5.903 798 HB3 ARG 96 3HB ARG 96 1.104 -6.412 5.616 799 HG2 ARG 96 2HG ARG 96 0.062 -6.676 7.761 800 HG3 ARG 96 3HG ARG 96 0.858 -8.229 8.035 801 HD2 ARG 96 2HD ARG 96 2.963 -7.226 8.387 802 HD3 ARG 96 3HD ARG 96 2.495 -5.719 7.607 803 HE ARG 96 HE ARG 96 0.879 -5.902 9.803 804 HH11 ARG 96 1HH1 ARG 96 4.371 -5.953 9.357 805 HH12 ARG 96 2HH1 ARG 96 4.688 -5.198 10.885 806 HH21 ARG 96 1HH2 ARG 96 1.316 -4.762 11.710 807 HH22 ARG 96 2HH2 ARG 96 2.960 -4.518 12.216 808 H ARG 97 H ARG 97 -1.473 -9.810 6.553 809 HA ARG 97 HA ARG 97 -3.904 -8.541 5.824 810 HB2 ARG 97 2HB ARG 97 -3.730 -10.936 6.543 811 HB3 ARG 97 3HB ARG 97 -3.366 -10.405 8.183 812 HG2 ARG 97 2HG ARG 97 -5.616 -9.273 8.246 813 HG3 ARG 97 3HG ARG 97 -5.960 -9.971 6.662 814 HD2 ARG 97 2HD ARG 97 -5.668 -12.246 7.643 815 HD3 ARG 97 3HD ARG 97 -5.406 -11.501 9.225 816 HE ARG 97 HE ARG 97 -7.883 -10.764 7.934 817 HH11 ARG 97 1HH1 ARG 97 -6.377 -13.064 10.127 818 HH12 ARG 97 2HH1 ARG 97 -7.882 -13.514 10.856 819 HH21 ARG 97 1HH2 ARG 97 -9.826 -11.357 8.916 820 HH22 ARG 97 2HH2 ARG 97 -9.837 -12.552 10.174 821 H ALA 98 H ALA 98 -4.681 -6.688 6.561 822 HA ALA 98 HA ALA 98 -4.134 -5.718 9.277 823 HB1 ALA 98 1HB ALA 98 -3.618 -3.456 8.431 824 HB2 ALA 98 2HB ALA 98 -3.688 -4.047 6.765 825 HB3 ALA 98 3HB ALA 98 -2.433 -4.630 7.859 826 H GLN 99 H GLN 99 -6.122 -5.689 10.024 827 HA GLN 99 HA GLN 99 -8.429 -5.351 8.236 828 HB2 GLN 99 2HB GLN 99 -8.412 -6.073 11.199 829 HB3 GLN 99 3HB GLN 99 -9.759 -6.252 10.075 830 HG2 GLN 99 2HG GLN 99 -8.578 -8.008 8.864 831 HG3 GLN 99 3HG GLN 99 -7.136 -7.768 9.854 832 HE21 GLN 99 1HE2 GLN 99 -7.157 -8.458 12.020 833 HE22 GLN 99 2HE2 GLN 99 -8.306 -9.615 12.592 834 H ASP 100 H ASP 100 -7.326 -4.110 11.361 835 HA ASP 100 HA ASP 100 -9.098 -1.776 11.175 836 HB2 ASP 100 2HB ASP 100 -8.942 -3.298 13.263 837 HB3 ASP 100 3HB ASP 100 -7.347 -2.615 13.537 838 H LYS 101 H LYS 101 -8.205 0.331 11.736 839 HA LYS 101 HA LYS 101 -6.098 1.180 10.111 840 HB2 LYS 101 2HB LYS 101 -6.449 3.374 11.095 841 HB3 LYS 101 3HB LYS 101 -8.010 2.575 10.928 842 HG2 LYS 101 2HG LYS 101 -7.612 1.852 13.441 843 HG3 LYS 101 3HG LYS 101 -6.447 3.176 13.441 844 HD2 LYS 101 2HD LYS 101 -8.524 4.025 14.298 845 HD3 LYS 101 3HD LYS 101 -8.308 4.712 12.683 846 HE2 LYS 101 2HE LYS 101 -9.885 3.101 11.750 847 HE3 LYS 101 3HE LYS 101 -10.002 2.266 13.308 848 HZ1 LYS 101 1HZ LYS 101 -11.883 3.725 12.960 849 HZ2 LYS 101 2HZ LYS 101 -10.873 5.062 12.756 850 HZ3 LYS 101 3HZ LYS 101 -10.957 4.284 14.258 851 H GLU 102 H GLU 102 -6.073 0.197 13.500 852 HA GLU 102 HA GLU 102 -3.553 1.180 14.286 853 HB2 GLU 102 2HB GLU 102 -3.676 -0.659 16.049 854 HB3 GLU 102 3HB GLU 102 -5.046 0.444 16.008 855 HG2 GLU 102 2HG GLU 102 -6.415 -1.191 14.848 856 HG3 GLU 102 3HG GLU 102 -5.039 -2.293 14.703 857 H GLU 103 H GLU 103 -4.490 -1.998 12.960 858 HA GLU 103 HA GLU 103 -1.953 -3.189 12.825 859 HB2 GLU 103 2HB GLU 103 -4.426 -3.671 11.106 860 HB3 GLU 103 3HB GLU 103 -3.031 -4.748 11.178 861 HG2 GLU 103 2HG GLU 103 -3.464 -5.232 13.531 862 HG3 GLU 103 3HG GLU 103 -4.793 -4.068 13.557 863 H VAL 104 H VAL 104 -3.681 -1.085 10.571 864 HA VAL 104 HA VAL 104 -1.997 -1.452 8.316 865 HB VAL 104 HB VAL 104 -3.791 0.934 8.973 866 HG11 VAL 104 1HG1 VAL 104 -3.746 1.411 6.556 867 HG12 VAL 104 2HG1 VAL 104 -2.650 0.066 6.292 868 HG13 VAL 104 3HG1 VAL 104 -2.119 1.460 7.228 869 HG21 VAL 104 1HG2 VAL 104 -5.493 -0.157 7.536 870 HG22 VAL 104 2HG2 VAL 104 -5.084 -1.167 8.924 871 HG23 VAL 104 3HG2 VAL 104 -4.430 -1.555 7.333 872 H LYS 105 H LYS 105 -2.158 1.190 10.766 873 HA LYS 105 HA LYS 105 -0.053 2.728 9.676 874 HB2 LYS 105 2HB LYS 105 -0.149 4.065 11.713 875 HB3 LYS 105 3HB LYS 105 -1.779 3.679 11.176 876 HG2 LYS 105 2HG LYS 105 -1.830 1.831 12.906 877 HG3 LYS 105 3HG LYS 105 -0.281 2.432 13.507 878 HD2 LYS 105 2HD LYS 105 -1.394 4.665 13.919 879 HD3 LYS 105 3HD LYS 105 -2.931 3.935 13.462 880 HE2 LYS 105 2HE LYS 105 -2.824 2.418 15.360 881 HE3 LYS 105 3HE LYS 105 -1.202 2.988 15.771 882 HZ1 LYS 105 1HZ LYS 105 -2.108 5.168 16.226 883 HZ2 LYS 105 2HZ LYS 105 -2.914 4.004 17.157 884 HZ3 LYS 105 3HZ LYS 105 -3.656 4.653 15.788 885 H ASP 106 H ASP 106 -0.068 0.184 12.173 886 HA ASP 106 HA ASP 106 2.645 0.233 12.873 887 HB2 ASP 106 2HB ASP 106 0.716 -2.123 12.747 888 HB3 ASP 106 3HB ASP 106 2.308 -2.195 13.505 889 H ALA 107 H ALA 107 0.978 -1.500 10.245 890 HA ALA 107 HA ALA 107 3.177 -2.994 9.290 891 HB1 ALA 107 1HB ALA 107 0.852 -3.566 8.771 892 HB2 ALA 107 2HB ALA 107 1.781 -3.348 7.285 893 HB3 ALA 107 3HB ALA 107 0.674 -2.082 7.833 894 H VAL 108 H VAL 108 1.940 0.218 8.506 895 HA VAL 108 HA VAL 108 3.562 0.854 6.291 896 HB VAL 108 HB VAL 108 2.239 2.640 8.393 897 HG11 VAL 108 1HG1 VAL 108 2.562 4.540 6.842 898 HG12 VAL 108 2HG1 VAL 108 3.502 3.509 5.764 899 HG13 VAL 108 3HG1 VAL 108 4.110 3.884 7.377 900 HG21 VAL 108 1HG2 VAL 108 0.522 3.026 6.654 901 HG22 VAL 108 2HG2 VAL 108 0.668 1.307 7.013 902 HG23 VAL 108 3HG2 VAL 108 1.390 1.961 5.545 903 H GLU 109 H GLU 109 3.930 1.590 9.760 904 HA GLU 109 HA GLU 109 6.383 2.874 9.801 905 HB2 GLU 109 2HB GLU 109 4.948 2.739 11.777 906 HB3 GLU 109 3HB GLU 109 5.139 0.988 11.849 907 HG2 GLU 109 2HG GLU 109 7.597 1.339 12.269 908 HG3 GLU 109 3HG GLU 109 7.288 3.071 12.346 909 H GLU 110 H GLU 110 5.686 -0.594 10.009 910 HA GLU 110 HA GLU 110 8.430 -1.434 10.282 911 HB2 GLU 110 2HB GLU 110 5.835 -2.976 9.857 912 HB3 GLU 110 3HB GLU 110 7.397 -3.741 10.164 913 HG2 GLU 110 2HG GLU 110 7.538 -2.760 12.378 914 HG3 GLU 110 3HG GLU 110 6.144 -1.727 12.063 915 H PHE 111 H PHE 111 6.362 -0.796 7.576 916 HA PHE 111 HA PHE 111 7.769 -2.341 5.597 917 HB2 PHE 111 2HB PHE 111 5.458 -1.537 5.234 918 HB3 PHE 111 3HB PHE 111 5.995 0.132 5.333 919 HD1 PHE 111 HD1 PHE 111 6.732 -2.975 3.330 920 HD2 PHE 111 HD2 PHE 111 6.250 1.263 3.298 921 HE1 PHE 111 HE1 PHE 111 6.956 -2.969 0.882 922 HE2 PHE 111 HE2 PHE 111 6.478 1.266 0.858 923 HZ PHE 111 HZ PHE 111 6.829 -0.843 -0.354 924 H LEU 112 H LEU 112 7.967 0.911 6.914 925 HA LEU 112 HA LEU 112 10.017 1.829 5.094 926 HB2 LEU 112 2HB LEU 112 8.948 3.089 7.648 927 HB3 LEU 112 3HB LEU 112 9.890 3.909 6.405 928 HG LEU 112 HG LEU 112 7.117 2.714 5.978 929 HD11 LEU 112 1HD1 LEU 112 6.989 4.652 7.437 930 HD12 LEU 112 2HD1 LEU 112 6.276 4.988 5.863 931 HD13 LEU 112 3HD1 LEU 112 7.876 5.625 6.258 932 HD21 LEU 112 1HD2 LEU 112 7.147 3.873 3.815 933 HD22 LEU 112 2HD2 LEU 112 8.417 2.660 3.929 934 HD23 LEU 112 3HD2 LEU 112 8.816 4.373 4.098 935 H LYS 113 H LYS 113 9.981 0.917 8.577 936 HA LYS 113 HA LYS 113 12.722 1.660 9.012 937 HB2 LYS 113 2HB LYS 113 10.750 0.120 10.752 938 HB3 LYS 113 3HB LYS 113 12.365 0.589 11.286 939 HG2 LYS 113 2HG LYS 113 11.762 2.981 10.905 940 HG3 LYS 113 3HG LYS 113 10.125 2.476 10.473 941 HD2 LYS 113 2HD LYS 113 9.811 1.547 12.754 942 HD3 LYS 113 3HD LYS 113 11.456 2.031 13.183 943 HE2 LYS 113 2HE LYS 113 10.866 4.394 12.864 944 HE3 LYS 113 3HE LYS 113 9.240 3.940 12.353 945 HZ1 LYS 113 1HZ LYS 113 8.812 3.061 14.544 946 HZ2 LYS 113 2HZ LYS 113 9.328 4.668 14.667 947 HZ3 LYS 113 3HZ LYS 113 10.390 3.408 15.041 948 H GLU 114 H GLU 114 11.078 -1.423 8.350 949 HA GLU 114 HA GLU 114 13.550 -2.953 8.649 950 HB2 GLU 114 2HB GLU 114 10.870 -3.884 7.547 951 HB3 GLU 114 3HB GLU 114 12.207 -4.908 8.059 952 HG2 GLU 114 2HG GLU 114 10.463 -3.163 9.821 953 HG3 GLU 114 3HG GLU 114 10.460 -4.923 9.746 954 H GLY 115 H GLY 115 11.994 -1.143 6.180 955 HA2 GLY 115 2HA GLY 115 12.905 -0.418 4.202 956 HA3 GLY 115 3HA GLY 115 14.257 -1.513 4.439 957 H GLY 116 H GLY 116 10.894 -1.305 3.356 958 HA2 GLY 116 2HA GLY 116 9.821 -2.279 1.577 959 HA3 GLY 116 3HA GLY 116 11.320 -3.076 1.128 960 H SER 117 H SER 117 11.960 -4.958 2.508 961 HA SER 117 HA SER 117 9.803 -6.793 2.957 962 HB2 SER 117 2HB SER 117 11.717 -8.284 3.790 963 HB3 SER 117 3HB SER 117 11.902 -7.679 2.144 964 HG SER 117 HG SER 117 13.047 -6.360 4.378 965 H LEU 118 H LEU 118 8.483 -6.409 4.651 966 HA LEU 118 HA LEU 118 9.145 -5.057 7.058 967 HB2 LEU 118 2HB LEU 118 6.814 -6.950 6.542 968 HB3 LEU 118 3HB LEU 118 6.982 -5.907 7.940 969 HG LEU 118 HG LEU 118 6.965 -3.933 6.242 970 HD11 LEU 118 1HD1 LEU 118 5.735 -4.333 4.152 971 HD12 LEU 118 2HD1 LEU 118 5.765 -6.070 4.463 972 HD13 LEU 118 3HD1 LEU 118 7.271 -5.195 4.184 973 HD21 LEU 118 1HD2 LEU 118 4.436 -5.538 6.703 974 HD22 LEU 118 2HD2 LEU 118 4.522 -3.825 6.282 975 HD23 LEU 118 3HD2 LEU 118 5.157 -4.383 7.826 976 H GLU 119 H GLU 119 8.630 -8.456 6.293 977 HA GLU 119 HA GLU 119 10.434 -9.309 8.476 978 HB2 GLU 119 2HB GLU 119 7.886 -10.722 7.514 979 HB3 GLU 119 3HB GLU 119 9.043 -11.397 8.660 980 HG2 GLU 119 2HG GLU 119 8.527 -9.592 10.257 981 HG3 GLU 119 3HG GLU 119 7.383 -8.895 9.113 982 H HIS 120 H HIS 120 11.403 -11.445 7.977 983 HA HIS 120 HA HIS 120 11.996 -11.927 5.149 984 HB2 HIS 120 2HB HIS 120 13.603 -13.559 5.967 985 HB3 HIS 120 3HB HIS 120 13.764 -12.117 6.957 986 HD1 HIS 120 HD1 HIS 120 14.486 -15.228 7.617 987 HD2 HIS 120 HD2 HIS 120 11.397 -12.955 9.218 988 HE1 HIS 120 HE1 HIS 120 13.911 -16.309 9.797 989 HE2 HIS 120 HE2 HIS 120 12.148 -14.840 10.807 990 H HIS 121 H HIS 121 12.009 -14.767 5.030 991 HA HIS 121 HA HIS 121 9.273 -15.575 5.012 992 HB2 HIS 121 2HB HIS 121 11.840 -17.203 4.936 993 HB3 HIS 121 3HB HIS 121 10.250 -17.955 4.859 994 HD1 HIS 121 HD1 HIS 121 8.907 -17.688 2.696 995 HD2 HIS 121 HD2 HIS 121 12.616 -15.827 2.572 996 HE1 HIS 121 HE1 HIS 121 9.289 -17.109 0.294 997 HE2 HIS 121 HE2 HIS 121 11.444 -15.813 0.286 998 H HIS 122 H HIS 122 8.043 -15.808 6.728 999 HA HIS 122 HA HIS 122 9.174 -15.618 9.390 1000 HB2 HIS 122 2HB HIS 122 7.243 -14.210 8.543 1001 HB3 HIS 122 3HB HIS 122 6.252 -15.661 8.496 1002 HD1 HIS 122 HD1 HIS 122 4.709 -14.187 10.097 1003 HD2 HIS 122 HD2 HIS 122 8.314 -15.418 11.749 1004 HE1 HIS 122 HE1 HIS 122 4.454 -13.879 12.568 1005 HE2 HIS 122 HE2 HIS 122 6.728 -14.393 13.499 1006 H HIS 123 H HIS 123 10.138 -17.836 9.141 1007 HA HIS 123 HA HIS 123 8.393 -19.970 10.192 1008 HB2 HIS 123 2HB HIS 123 10.279 -20.264 7.794 1009 HB3 HIS 123 3HB HIS 123 9.574 -21.632 8.652 1010 HD1 HIS 123 HD1 HIS 123 7.288 -22.378 7.922 1011 HD2 HIS 123 HD2 HIS 123 8.311 -18.688 6.330 1012 HE1 HIS 123 HE1 HIS 123 5.507 -21.848 6.246 1013 HE2 HIS 123 HE2 HIS 123 6.245 -19.698 5.186 1014 H HIS 124 H HIS 124 9.558 -21.613 11.288 1015 HA HIS 124 HA HIS 124 12.453 -21.191 11.817 1016 HB2 HIS 124 2HB HIS 124 10.263 -21.974 13.804 1017 HB3 HIS 124 3HB HIS 124 11.980 -22.201 14.131 1018 HD1 HIS 124 HD1 HIS 124 9.417 -19.467 13.658 1019 HD2 HIS 124 HD2 HIS 124 13.352 -19.915 14.914 1020 HE1 HIS 124 HE1 HIS 124 10.083 -17.248 14.627 1021 HE2 HIS 124 HE2 HIS 124 12.389 -17.614 15.541 1022 H HIS 125 H HIS 125 10.778 -22.848 9.903 1023 HA HIS 125 HA HIS 125 12.127 -25.435 10.372 1024 HB2 HIS 125 2HB HIS 125 9.283 -25.077 9.300 1025 HB3 HIS 125 3HB HIS 125 10.150 -26.605 9.365 1026 HD1 HIS 125 HD1 HIS 125 10.340 -27.754 11.668 1027 HD2 HIS 125 HD2 HIS 125 8.191 -24.203 11.739 1028 HE1 HIS 125 HE1 HIS 125 9.130 -27.734 13.860 1029 HE2 HIS 125 HE2 HIS 125 7.974 -25.505 13.944
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