NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
579856 | 2mbx | 18113 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1HT MET 1 -12.001 10.672 -4.341 2 H2 MET 1 2HT MET 1 -12.905 9.499 -3.526 3 H3 MET 1 3HT MET 1 -12.680 11.017 -2.830 4 HA MET 1 HA MET 1 -14.007 12.079 -4.436 5 HB2 MET 1 2HB MET 1 -14.147 9.357 -5.742 6 HB3 MET 1 1HB MET 1 -15.168 10.716 -6.187 7 HG2 MET 1 2HG MET 1 -13.182 12.000 -6.809 8 HG3 MET 1 1HG MET 1 -12.164 10.627 -6.377 9 HE1 MET 1 2HE MET 1 -11.041 10.767 -8.795 10 HE2 MET 1 3HE MET 1 -12.091 12.117 -9.224 11 HE3 MET 1 1HE MET 1 -11.958 10.727 -10.301 12 H ALA 2 H ALA 2 -15.305 8.779 -4.289 13 HA ALA 2 HA ALA 2 -17.193 9.710 -2.224 14 HB1 ALA 2 1HB ALA 2 -17.688 7.727 -4.446 15 HB2 ALA 2 2HB ALA 2 -18.321 9.371 -4.357 16 HB3 ALA 2 3HB ALA 2 -18.839 8.162 -3.184 17 H PHE 3 H PHE 3 -14.816 8.723 -1.402 18 HA PHE 3 HA PHE 3 -15.358 5.921 -0.681 19 HB2 PHE 3 2HB PHE 3 -12.710 7.380 -0.826 20 HB3 PHE 3 1HB PHE 3 -12.920 5.713 -0.303 21 HD1 PHE 3 1HD PHE 3 -14.001 4.095 -1.984 22 HD2 PHE 3 2HD PHE 3 -12.336 7.860 -3.053 23 HE1 PHE 3 1HE PHE 3 -13.790 3.334 -4.315 24 HE2 PHE 3 2HE PHE 3 -12.124 7.110 -5.385 25 HZ PHE 3 HZ PHE 3 -12.852 4.845 -6.018 26 H ALA 4 H ALA 4 -13.952 5.444 1.443 27 HA ALA 4 HA ALA 4 -15.151 7.077 3.501 28 HB1 ALA 4 1HB ALA 4 -13.293 4.707 3.729 29 HB2 ALA 4 2HB ALA 4 -15.055 4.629 3.711 30 HB3 ALA 4 3HB ALA 4 -14.221 5.432 5.042 31 H GLY 5 H GLY 5 -13.940 8.087 5.209 32 HA2 GLY 5 2HA GLY 5 -11.689 9.567 4.239 33 HA3 GLY 5 1HA GLY 5 -12.378 9.657 5.854 34 H ILE 6 H ILE 6 -11.803 6.490 5.260 35 HA ILE 6 HA ILE 6 -9.573 6.154 6.911 36 HB ILE 6 HB ILE 6 -10.688 4.382 4.724 37 HG12 ILE 6 2HG1 ILE 6 -11.042 4.363 7.728 38 HG13 ILE 6 1HG1 ILE 6 -12.260 4.805 6.536 39 HG21 ILE 6 1HG2 ILE 6 -8.407 3.733 5.103 40 HG22 ILE 6 2HG2 ILE 6 -9.479 2.536 5.834 41 HG23 ILE 6 3HG2 ILE 6 -8.662 3.724 6.849 42 HD11 ILE 6 3HD1 ILE 6 -11.024 2.079 6.851 43 HD12 ILE 6 1HD1 ILE 6 -12.273 2.528 5.688 44 HD13 ILE 6 2HD1 ILE 6 -12.624 2.565 7.417 45 H LEU 7 H LEU 7 -9.913 6.742 3.487 46 HA LEU 7 HA LEU 7 -6.993 7.039 3.286 47 HB2 LEU 7 2HB LEU 7 -7.149 6.528 0.904 48 HB3 LEU 7 1HB LEU 7 -7.716 5.184 1.878 49 HG LEU 7 HG LEU 7 -9.708 7.131 0.771 50 HD11 LEU 7 1HD1 LEU 7 -8.283 6.511 -1.126 51 HD12 LEU 7 2HD1 LEU 7 -9.892 5.801 -1.257 52 HD13 LEU 7 3HD1 LEU 7 -8.529 4.805 -0.746 53 HD21 LEU 7 3HD2 LEU 7 -10.440 5.428 2.370 54 HD22 LEU 7 1HD2 LEU 7 -9.784 4.167 1.327 55 HD23 LEU 7 2HD2 LEU 7 -11.135 5.153 0.773 56 H ASN 8 H ASN 8 -6.244 8.837 2.147 57 HA ASN 8 HA ASN 8 -8.232 10.949 1.736 58 HB2 ASN 8 2HB ASN 8 -5.289 10.957 2.304 59 HB3 ASN 8 1HB ASN 8 -6.029 12.351 1.522 60 HD21 ASN 8 1HD2 ASN 8 -6.169 10.297 4.368 61 HD22 ASN 8 2HD2 ASN 8 -6.828 11.494 5.424 62 H ASP 9 H ASP 9 -9.004 10.923 -0.248 63 HA ASP 9 HA ASP 9 -8.021 9.653 -2.486 64 HB2 ASP 9 2HB ASP 9 -10.321 10.481 -2.270 65 HB3 ASP 9 1HB ASP 9 -9.746 12.139 -2.369 66 H ALA 10 H ALA 10 -7.415 12.925 -1.389 67 HA ALA 10 HA ALA 10 -6.083 13.878 -3.687 68 HB1 ALA 10 1HB ALA 10 -5.852 14.719 -0.796 69 HB2 ALA 10 2HB ALA 10 -6.964 15.376 -1.998 70 HB3 ALA 10 3HB ALA 10 -5.227 15.631 -2.172 71 H ASP 11 H ASP 11 -4.908 12.241 -0.760 72 HA ASP 11 HA ASP 11 -2.156 12.515 -1.468 73 HB2 ASP 11 2HB ASP 11 -3.592 10.884 0.606 74 HB3 ASP 11 1HB ASP 11 -1.867 10.670 0.313 75 H ILE 12 H ILE 12 -4.565 9.996 -1.819 76 HA ILE 12 HA ILE 12 -2.981 8.014 -2.992 77 HB ILE 12 HB ILE 12 -5.865 8.766 -3.166 78 HG12 ILE 12 2HG1 ILE 12 -6.068 6.310 -2.479 79 HG13 ILE 12 1HG1 ILE 12 -4.322 6.334 -2.278 80 HG21 ILE 12 1HG2 ILE 12 -5.364 8.174 -5.464 81 HG22 ILE 12 2HG2 ILE 12 -6.344 6.920 -4.704 82 HG23 ILE 12 3HG2 ILE 12 -4.615 6.668 -4.932 83 HD11 ILE 12 3HD1 ILE 12 -5.404 6.652 -0.162 84 HD12 ILE 12 1HD1 ILE 12 -6.320 8.019 -0.796 85 HD13 ILE 12 2HD1 ILE 12 -4.570 8.133 -0.625 86 H THR 13 H THR 13 -4.856 10.598 -4.526 87 HA THR 13 HA THR 13 -4.051 10.155 -7.163 88 HB THR 13 HB THR 13 -4.922 12.719 -5.815 89 HG1 THR 13 1HG THR 13 -6.615 11.386 -5.609 90 HG21 THR 13 3HG2 THR 13 -3.875 13.146 -7.991 91 HG22 THR 13 1HG2 THR 13 -5.609 13.466 -8.026 92 HG23 THR 13 2HG2 THR 13 -4.970 11.984 -8.743 93 H ALA 14 H ALA 14 -2.619 12.141 -4.612 94 HA ALA 14 HA ALA 14 -0.805 13.609 -6.129 95 HB1 ALA 14 1HB ALA 14 0.405 13.972 -4.056 96 HB2 ALA 14 2HB ALA 14 -0.456 12.633 -3.300 97 HB3 ALA 14 3HB ALA 14 -1.333 14.084 -3.785 98 H ALA 15 H ALA 15 -0.067 10.668 -4.221 99 HA ALA 15 HA ALA 15 2.549 10.442 -5.249 100 HB1 ALA 15 1HB ALA 15 1.996 9.422 -3.153 101 HB2 ALA 15 2HB ALA 15 2.510 8.162 -4.275 102 HB3 ALA 15 3HB ALA 15 0.796 8.389 -3.923 103 H LEU 16 H LEU 16 -0.536 9.166 -6.347 104 HA LEU 16 HA LEU 16 0.541 7.328 -8.227 105 HB2 LEU 16 2HB LEU 16 -2.157 8.620 -7.940 106 HB3 LEU 16 1HB LEU 16 -1.787 7.530 -9.259 107 HG LEU 16 HG LEU 16 -1.519 6.763 -6.359 108 HD11 LEU 16 1HD1 LEU 16 -3.804 6.330 -8.266 109 HD12 LEU 16 2HD1 LEU 16 -3.824 7.320 -6.807 110 HD13 LEU 16 3HD1 LEU 16 -3.642 5.568 -6.685 111 HD21 LEU 16 3HD2 LEU 16 -0.194 5.432 -7.924 112 HD22 LEU 16 1HD2 LEU 16 -1.637 5.131 -8.891 113 HD23 LEU 16 2HD2 LEU 16 -1.525 4.490 -7.252 114 H ALA 17 H ALA 17 -0.256 10.734 -8.364 115 HA ALA 17 HA ALA 17 0.067 11.002 -11.181 116 HB1 ALA 17 1HB ALA 17 0.340 13.062 -8.992 117 HB2 ALA 17 2HB ALA 17 -1.135 12.675 -9.877 118 HB3 ALA 17 3HB ALA 17 0.231 13.408 -10.719 119 H ALA 18 H ALA 18 2.193 10.908 -8.449 120 HA ALA 18 HA ALA 18 4.473 11.950 -9.871 121 HB1 ALA 18 1HB ALA 18 5.681 11.587 -7.823 122 HB2 ALA 18 2HB ALA 18 4.379 10.585 -7.186 123 HB3 ALA 18 3HB ALA 18 4.119 12.309 -7.443 124 H CYS 19 H CYS 19 3.340 8.774 -8.753 125 HA CYS 19 HA CYS 19 5.669 7.434 -9.821 126 HB2 CYS 19 2HB CYS 19 4.618 5.380 -9.039 127 HB3 CYS 19 1HB CYS 19 4.553 6.607 -7.779 128 HG CYS 19 HG CYS 19 1.900 6.008 -9.833 129 H LYS 20 H LYS 20 4.520 8.882 -11.795 130 HA LYS 20 HA LYS 20 3.247 6.869 -13.513 131 HB2 LYS 20 2HB LYS 20 1.842 8.832 -13.018 132 HB3 LYS 20 1HB LYS 20 3.101 9.884 -13.636 133 HG2 LYS 20 2HG LYS 20 2.822 9.009 -15.845 134 HG3 LYS 20 1HG LYS 20 1.669 7.812 -15.262 135 HD2 LYS 20 2HD LYS 20 0.390 9.550 -16.249 136 HD3 LYS 20 1HD LYS 20 0.223 9.734 -14.507 137 HE2 LYS 20 2HE LYS 20 2.284 11.267 -16.060 138 HE3 LYS 20 1HE LYS 20 0.625 11.838 -15.925 139 HZ1 LYS 20 3HZ LYS 20 2.542 11.397 -13.700 140 HZ2 LYS 20 1HZ LYS 20 0.907 11.769 -13.485 141 HZ3 LYS 20 2HZ LYS 20 1.932 12.871 -14.248 142 H ALA 21 H ALA 21 6.013 8.690 -12.913 143 HA ALA 21 HA ALA 21 6.971 8.489 -15.678 144 HB1 ALA 21 1HB ALA 21 7.171 10.691 -14.613 145 HB2 ALA 21 2HB ALA 21 8.750 10.010 -15.005 146 HB3 ALA 21 3HB ALA 21 8.163 9.979 -13.342 147 H GLU 22 H GLU 22 8.522 7.058 -16.226 148 HA GLU 22 HA GLU 22 9.218 4.973 -14.459 149 HB2 GLU 22 2HB GLU 22 9.115 4.740 -16.924 150 HB3 GLU 22 1HB GLU 22 10.561 5.731 -17.056 151 HG2 GLU 22 2HG GLU 22 11.846 4.072 -15.855 152 HG3 GLU 22 1HG GLU 22 10.399 3.094 -15.615 153 H GLY 23 H GLY 23 10.678 4.913 -12.928 154 HA2 GLY 23 2HA GLY 23 12.956 5.262 -12.163 155 HA3 GLY 23 1HA GLY 23 12.960 6.783 -13.053 156 H SER 24 H SER 24 10.092 7.083 -12.091 157 HA SER 24 HA SER 24 10.752 8.208 -9.460 158 HB2 SER 24 2HB SER 24 8.544 8.972 -11.397 159 HB3 SER 24 1HB SER 24 8.920 9.788 -9.877 160 HG SER 24 HG SER 24 9.857 10.866 -11.652 161 H PHE 25 H PHE 25 10.340 5.622 -9.277 162 HA PHE 25 HA PHE 25 7.487 5.128 -8.848 163 HB2 PHE 25 2HB PHE 25 8.374 2.675 -8.679 164 HB3 PHE 25 1HB PHE 25 8.214 3.441 -10.251 165 HD1 PHE 25 1HD PHE 25 10.754 2.948 -7.552 166 HD2 PHE 25 2HD PHE 25 9.968 3.312 -11.719 167 HE1 PHE 25 1HE PHE 25 13.112 2.447 -8.037 168 HE2 PHE 25 2HE PHE 25 12.327 2.812 -12.209 169 HZ PHE 25 HZ PHE 25 13.901 2.379 -10.367 170 H ASP 26 H ASP 26 8.195 6.616 -6.840 171 HA ASP 26 HA ASP 26 9.156 4.938 -4.663 172 HB2 ASP 26 2HB ASP 26 8.871 7.009 -3.273 173 HB3 ASP 26 1HB ASP 26 9.984 7.200 -4.620 174 H HIS 27 H HIS 27 7.450 3.432 -4.834 175 HA HIS 27 HA HIS 27 4.753 4.341 -4.375 176 HB2 HIS 27 2HB HIS 27 5.758 2.226 -5.748 177 HB3 HIS 27 1HB HIS 27 5.273 1.462 -4.226 178 HD1 HIS 27 1HD HIS 27 3.972 2.644 -7.429 179 HD2 HIS 27 2HD HIS 27 2.436 1.963 -3.611 180 HE1 HIS 27 1HE HIS 27 1.466 2.587 -7.690 181 HE2 HIS 27 2HE HIS 27 0.559 2.280 -5.364 182 H LYS 28 H LYS 28 7.340 3.101 -2.547 183 HA LYS 28 HA LYS 28 5.849 2.201 -0.346 184 HB2 LYS 28 2HB LYS 28 8.502 3.474 -0.028 185 HB3 LYS 28 1HB LYS 28 7.857 2.012 0.682 186 HG2 LYS 28 2HG LYS 28 8.023 0.943 -1.586 187 HG3 LYS 28 1HG LYS 28 8.971 2.350 -2.067 188 HD2 LYS 28 2HD LYS 28 9.646 0.480 0.203 189 HD3 LYS 28 1HD LYS 28 10.389 0.454 -1.393 190 HE2 LYS 28 2HE LYS 28 10.458 2.824 0.470 191 HE3 LYS 28 1HE LYS 28 11.734 1.613 0.365 192 HZ1 LYS 28 3HZ LYS 28 12.057 2.196 -1.948 193 HZ2 LYS 28 1HZ LYS 28 12.233 3.563 -0.970 194 HZ3 LYS 28 2HZ LYS 28 10.820 3.339 -1.868 195 H ALA 29 H ALA 29 7.082 5.288 -1.430 196 HA ALA 29 HA ALA 29 6.347 6.841 0.801 197 HB1 ALA 29 1HB ALA 29 7.849 7.659 -0.948 198 HB2 ALA 29 2HB ALA 29 6.483 8.747 -0.711 199 HB3 ALA 29 3HB ALA 29 6.512 7.658 -2.098 200 H PHE 30 H PHE 30 4.590 5.631 -1.974 201 HA PHE 30 HA PHE 30 2.223 7.075 -1.742 202 HB2 PHE 30 2HB PHE 30 2.562 5.650 -3.648 203 HB3 PHE 30 1HB PHE 30 2.721 4.224 -2.634 204 HD1 PHE 30 1HD PHE 30 0.758 3.142 -1.696 205 HD2 PHE 30 2HD PHE 30 0.391 6.579 -4.176 206 HE1 PHE 30 1HE PHE 30 -1.640 2.676 -1.982 207 HE2 PHE 30 2HE PHE 30 -2.009 6.122 -4.460 208 HZ PHE 30 HZ PHE 30 -3.028 4.169 -3.362 209 H PHE 31 H PHE 31 3.140 4.000 -0.160 210 HA PHE 31 HA PHE 31 0.713 3.620 1.204 211 HB2 PHE 31 2HB PHE 31 3.407 2.723 2.239 212 HB3 PHE 31 1HB PHE 31 1.838 2.010 2.573 213 HD1 PHE 31 2HD PHE 31 0.584 1.639 0.047 214 HD2 PHE 31 1HD PHE 31 4.699 1.254 1.059 215 HE1 PHE 31 2HE PHE 31 0.896 0.079 -1.828 216 HE2 PHE 31 1HE PHE 31 5.019 -0.306 -0.816 217 HZ PHE 31 HZ PHE 31 3.115 -0.894 -2.262 218 H THR 32 H THR 32 3.706 5.214 2.260 219 HA THR 32 HA THR 32 2.652 5.788 4.852 220 HB THR 32 HB THR 32 5.019 5.533 4.677 221 HG1 THR 32 1HG THR 32 3.999 7.369 5.999 222 HG21 THR 32 3HG2 THR 32 6.414 7.192 3.434 223 HG22 THR 32 1HG2 THR 32 4.935 7.796 2.687 224 HG23 THR 32 2HG2 THR 32 5.454 6.131 2.403 225 H LYS 33 H LYS 33 2.453 7.362 1.794 226 HA LYS 33 HA LYS 33 1.887 9.971 2.882 227 HB2 LYS 33 2HB LYS 33 2.908 9.444 0.590 228 HB3 LYS 33 1HB LYS 33 1.266 9.066 0.085 229 HG2 LYS 33 2HG LYS 33 0.577 11.343 0.749 230 HG3 LYS 33 1HG LYS 33 2.261 11.709 1.126 231 HD2 LYS 33 2HD LYS 33 2.768 11.004 -1.276 232 HD3 LYS 33 1HD LYS 33 1.026 11.104 -1.544 233 HE2 LYS 33 2HE LYS 33 2.824 13.326 -0.589 234 HE3 LYS 33 1HE LYS 33 2.109 13.175 -2.190 235 HZ1 LYS 33 3HZ LYS 33 0.484 13.366 0.282 236 HZ2 LYS 33 1HZ LYS 33 -0.036 13.536 -1.318 237 HZ3 LYS 33 2HZ LYS 33 0.950 14.718 -0.621 238 H VAL 34 H VAL 34 -0.006 7.398 1.299 239 HA VAL 34 HA VAL 34 -2.460 8.801 1.546 240 HB VAL 34 HB VAL 34 -3.457 6.837 0.639 241 HG11 VAL 34 1HG1 VAL 34 -0.762 7.284 -0.602 242 HG12 VAL 34 2HG1 VAL 34 -2.222 8.223 -0.914 243 HG13 VAL 34 3HG1 VAL 34 -2.143 6.527 -1.396 244 HG21 VAL 34 3HG2 VAL 34 -2.231 4.743 0.295 245 HG22 VAL 34 1HG2 VAL 34 -2.395 5.143 2.005 246 HG23 VAL 34 2HG2 VAL 34 -0.863 5.421 1.179 247 H GLY 35 H GLY 35 -0.595 7.119 3.763 248 HA2 GLY 35 2HA GLY 35 -1.085 6.923 6.039 249 HA3 GLY 35 1HA GLY 35 -2.783 7.169 5.673 250 H LEU 36 H LEU 36 -1.059 4.831 3.811 251 HA LEU 36 HA LEU 36 -2.908 2.814 4.688 252 HB2 LEU 36 2HB LEU 36 -1.967 3.176 2.318 253 HB3 LEU 36 1HB LEU 36 -0.543 2.337 2.901 254 HG LEU 36 HG LEU 36 -2.049 0.405 3.508 255 HD11 LEU 36 1HD1 LEU 36 -4.228 0.290 2.443 256 HD12 LEU 36 2HD1 LEU 36 -4.027 1.923 1.813 257 HD13 LEU 36 3HD1 LEU 36 -4.156 1.659 3.550 258 HD21 LEU 36 3HD2 LEU 36 -0.654 0.370 1.514 259 HD22 LEU 36 1HD2 LEU 36 -1.901 1.227 0.608 260 HD23 LEU 36 2HD2 LEU 36 -2.205 -0.406 1.196 261 H ALA 37 H ALA 37 0.293 3.764 5.495 262 HA ALA 37 HA ALA 37 1.099 1.240 6.638 263 HB1 ALA 37 1HB ALA 37 2.733 2.862 5.745 264 HB2 ALA 37 2HB ALA 37 3.049 2.439 7.429 265 HB3 ALA 37 3HB ALA 37 2.296 3.983 7.034 266 H ALA 38 H ALA 38 -1.087 3.538 7.518 267 HA ALA 38 HA ALA 38 -0.863 2.856 10.373 268 HB1 ALA 38 1HB ALA 38 -2.126 5.307 9.139 269 HB2 ALA 38 2HB ALA 38 -0.567 5.255 9.961 270 HB3 ALA 38 3HB ALA 38 -2.050 4.937 10.862 271 H LYS 39 H LYS 39 -1.994 1.077 8.637 272 HA LYS 39 HA LYS 39 -4.892 1.392 9.024 273 HB2 LYS 39 2HB LYS 39 -3.315 -0.303 7.092 274 HB3 LYS 39 1HB LYS 39 -5.057 -0.445 7.302 275 HG2 LYS 39 2HG LYS 39 -3.677 2.122 6.548 276 HG3 LYS 39 1HG LYS 39 -4.305 0.966 5.372 277 HD2 LYS 39 2HD LYS 39 -6.460 1.518 5.781 278 HD3 LYS 39 1HD LYS 39 -6.176 1.782 7.501 279 HE2 LYS 39 2HE LYS 39 -5.201 3.674 5.375 280 HE3 LYS 39 1HE LYS 39 -6.787 3.822 6.123 281 HZ1 LYS 39 3HZ LYS 39 -4.138 4.094 7.404 282 HZ2 LYS 39 1HZ LYS 39 -5.552 3.859 8.308 283 HZ3 LYS 39 2HZ LYS 39 -5.389 5.225 7.331 284 H SER 40 H SER 40 -6.106 -0.301 9.891 285 HA SER 40 HA SER 40 -4.601 -2.094 11.627 286 HB2 SER 40 2HB SER 40 -7.590 -1.622 11.455 287 HB3 SER 40 1HB SER 40 -6.738 -2.482 12.734 288 HG SER 40 HG SER 40 -7.335 -0.014 12.806 289 HA PRO 41 HA PRO 41 -5.019 -5.941 9.469 290 HB2 PRO 41 2HB PRO 41 -7.037 -6.721 11.543 291 HB3 PRO 41 1HB PRO 41 -5.685 -7.652 10.890 292 HG2 PRO 41 2HG PRO 41 -5.483 -6.468 13.260 293 HG3 PRO 41 1HG PRO 41 -4.109 -6.500 12.140 294 HD2 PRO 41 2HD PRO 41 -5.881 -4.245 12.892 295 HD3 PRO 41 1HD PRO 41 -4.194 -4.222 12.349 296 H ALA 42 H ALA 42 -8.209 -4.936 10.752 297 HA ALA 42 HA ALA 42 -9.771 -6.161 8.785 298 HB1 ALA 42 1HB ALA 42 -10.678 -5.323 10.891 299 HB2 ALA 42 2HB ALA 42 -11.564 -4.677 9.510 300 HB3 ALA 42 3HB ALA 42 -10.395 -3.667 10.358 301 H ASP 43 H ASP 43 -8.402 -2.895 8.893 302 HA ASP 43 HA ASP 43 -9.612 -1.944 6.521 303 HB2 ASP 43 2HB ASP 43 -6.979 -1.072 7.742 304 HB3 ASP 43 1HB ASP 43 -7.925 -0.170 6.567 305 H ILE 44 H ILE 44 -6.450 -3.338 7.233 306 HA ILE 44 HA ILE 44 -5.440 -3.273 4.621 307 HB ILE 44 HB ILE 44 -4.762 -4.804 7.093 308 HG12 ILE 44 2HG1 ILE 44 -3.983 -2.537 6.982 309 HG13 ILE 44 1HG1 ILE 44 -2.592 -3.603 6.793 310 HG21 ILE 44 1HG2 ILE 44 -4.380 -6.437 5.331 311 HG22 ILE 44 2HG2 ILE 44 -2.848 -5.862 5.986 312 HG23 ILE 44 3HG2 ILE 44 -3.420 -5.263 4.429 313 HD11 ILE 44 3HD1 ILE 44 -2.745 -3.251 4.339 314 HD12 ILE 44 1HD1 ILE 44 -2.369 -1.800 5.267 315 HD13 ILE 44 2HD1 ILE 44 -3.997 -2.045 4.643 316 H LYS 45 H LYS 45 -7.712 -5.454 6.116 317 HA LYS 45 HA LYS 45 -7.371 -7.518 4.151 318 HB2 LYS 45 2HB LYS 45 -9.474 -7.068 6.257 319 HB3 LYS 45 1HB LYS 45 -9.527 -8.420 5.131 320 HG2 LYS 45 2HG LYS 45 -7.389 -7.833 7.168 321 HG3 LYS 45 1HG LYS 45 -8.540 -9.172 7.175 322 HD2 LYS 45 2HD LYS 45 -7.529 -10.102 5.183 323 HD3 LYS 45 1HD LYS 45 -6.446 -8.721 5.049 324 HE2 LYS 45 2HE LYS 45 -5.210 -10.501 5.978 325 HE3 LYS 45 1HE LYS 45 -5.498 -9.335 7.263 326 HZ1 LYS 45 3HZ LYS 45 -7.001 -11.860 6.840 327 HZ2 LYS 45 1HZ LYS 45 -7.313 -10.728 8.059 328 HZ3 LYS 45 2HZ LYS 45 -5.850 -11.575 8.047 329 H LYS 46 H LYS 46 -9.535 -4.730 4.477 330 HA LYS 46 HA LYS 46 -11.028 -5.494 2.139 331 HB2 LYS 46 2HB LYS 46 -12.078 -3.340 2.238 332 HB3 LYS 46 1HB LYS 46 -11.953 -3.947 3.875 333 HG2 LYS 46 2HG LYS 46 -11.317 -1.805 4.236 334 HG3 LYS 46 1HG LYS 46 -9.738 -2.492 3.855 335 HD2 LYS 46 2HD LYS 46 -9.971 -0.449 2.622 336 HD3 LYS 46 1HD LYS 46 -10.091 -1.787 1.477 337 HE2 LYS 46 2HE LYS 46 -12.523 -1.598 1.489 338 HE3 LYS 46 1HE LYS 46 -12.430 -0.296 2.670 339 HZ1 LYS 46 3HZ LYS 46 -11.248 1.043 1.039 340 HZ2 LYS 46 1HZ LYS 46 -12.755 0.559 0.444 341 HZ3 LYS 46 2HZ LYS 46 -11.352 -0.209 -0.095 342 H VAL 47 H VAL 47 -8.132 -3.690 2.843 343 HA VAL 47 HA VAL 47 -7.710 -2.732 0.209 344 HB VAL 47 HB VAL 47 -5.601 -3.312 2.299 345 HG11 VAL 47 1HG1 VAL 47 -4.767 -2.964 -0.009 346 HG12 VAL 47 2HG1 VAL 47 -4.247 -1.709 1.114 347 HG13 VAL 47 3HG1 VAL 47 -5.553 -1.387 -0.022 348 HG21 VAL 47 3HG2 VAL 47 -7.347 -1.825 3.168 349 HG22 VAL 47 1HG2 VAL 47 -7.134 -0.764 1.776 350 HG23 VAL 47 2HG2 VAL 47 -5.823 -0.967 2.939 351 H PHE 48 H PHE 48 -6.959 -5.732 1.876 352 HA PHE 48 HA PHE 48 -5.520 -7.119 -0.022 353 HB2 PHE 48 2HB PHE 48 -5.904 -8.359 1.891 354 HB3 PHE 48 1HB PHE 48 -7.592 -7.890 1.982 355 HD1 PHE 48 2HD PHE 48 -5.516 -9.690 -0.579 356 HD2 PHE 48 1HD PHE 48 -8.990 -9.683 1.882 357 HE1 PHE 48 2HE PHE 48 -6.187 -11.857 -1.527 358 HE2 PHE 48 1HE PHE 48 -9.666 -11.849 0.935 359 HZ PHE 48 HZ PHE 48 -8.264 -12.940 -0.770 360 H GLU 49 H GLU 49 -9.026 -6.713 0.163 361 HA GLU 49 HA GLU 49 -9.572 -8.096 -2.243 362 HB2 GLU 49 2HB GLU 49 -11.227 -5.949 -0.897 363 HB3 GLU 49 1HB GLU 49 -11.806 -7.136 -2.059 364 HG2 GLU 49 2HG GLU 49 -11.206 -8.920 -0.451 365 HG3 GLU 49 1HG GLU 49 -10.781 -7.670 0.716 366 H ILE 50 H ILE 50 -8.323 -4.950 -1.644 367 HA ILE 50 HA ILE 50 -9.092 -3.846 -4.166 368 HB ILE 50 HB ILE 50 -6.788 -2.960 -2.435 369 HG12 ILE 50 2HG1 ILE 50 -9.649 -1.972 -2.493 370 HG13 ILE 50 1HG1 ILE 50 -8.968 -2.988 -1.227 371 HG21 ILE 50 1HG2 ILE 50 -6.884 -2.176 -4.825 372 HG22 ILE 50 2HG2 ILE 50 -6.922 -0.900 -3.615 373 HG23 ILE 50 3HG2 ILE 50 -8.407 -1.388 -4.427 374 HD11 ILE 50 3HD1 ILE 50 -8.214 -0.165 -1.918 375 HD12 ILE 50 1HD1 ILE 50 -7.299 -1.182 -0.806 376 HD13 ILE 50 2HD1 ILE 50 -8.970 -0.755 -0.437 377 H ILE 51 H ILE 51 -5.943 -5.268 -3.031 378 HA ILE 51 HA ILE 51 -4.816 -5.122 -5.652 379 HB ILE 51 HB ILE 51 -3.099 -6.851 -4.885 380 HG12 ILE 51 2HG1 ILE 51 -4.841 -7.569 -2.958 381 HG13 ILE 51 1HG1 ILE 51 -3.101 -7.745 -2.741 382 HG21 ILE 51 1HG2 ILE 51 -1.869 -5.277 -3.539 383 HG22 ILE 51 2HG2 ILE 51 -3.346 -4.387 -3.155 384 HG23 ILE 51 3HG2 ILE 51 -2.740 -4.416 -4.811 385 HD11 ILE 51 3HD1 ILE 51 -3.884 -6.787 -0.765 386 HD12 ILE 51 1HD1 ILE 51 -4.920 -5.636 -1.617 387 HD13 ILE 51 2HD1 ILE 51 -3.167 -5.452 -1.660 388 H ASP 52 H ASP 52 -6.933 -7.294 -4.040 389 HA ASP 52 HA ASP 52 -6.882 -9.158 -6.282 390 HB2 ASP 52 2HB ASP 52 -7.271 -9.868 -3.820 391 HB3 ASP 52 1HB ASP 52 -8.868 -9.175 -4.016 392 H GLN 53 H GLN 53 -7.450 -7.100 -7.599 393 HA GLN 53 HA GLN 53 -9.949 -5.829 -7.201 394 HB2 GLN 53 2HB GLN 53 -9.487 -4.592 -9.147 395 HB3 GLN 53 1HB GLN 53 -7.909 -4.934 -8.456 396 HG2 GLN 53 2HG GLN 53 -7.336 -5.621 -10.485 397 HG3 GLN 53 1HG GLN 53 -8.306 -7.056 -10.151 398 HE21 GLN 53 1HE2 GLN 53 -8.982 -7.411 -12.213 399 HE22 GLN 53 2HE2 GLN 53 -10.034 -6.337 -13.074 400 H ASP 54 H ASP 54 -9.026 -8.721 -8.763 401 HA ASP 54 HA ASP 54 -11.458 -9.002 -10.316 402 HB2 ASP 54 2HB ASP 54 -9.053 -10.717 -9.817 403 HB3 ASP 54 1HB ASP 54 -10.504 -11.428 -10.510 404 H LYS 55 H LYS 55 -10.476 -9.595 -7.122 405 HA LYS 55 HA LYS 55 -11.282 -10.758 -5.364 406 HB2 LYS 55 2HB LYS 55 -13.361 -9.493 -5.987 407 HB3 LYS 55 1HB LYS 55 -13.879 -10.896 -6.912 408 HG2 LYS 55 2HG LYS 55 -14.952 -10.837 -4.736 409 HG3 LYS 55 1HG LYS 55 -13.895 -12.240 -4.880 410 HD2 LYS 55 2HD LYS 55 -12.141 -11.000 -3.641 411 HD3 LYS 55 1HD LYS 55 -13.277 -9.664 -3.436 412 HE2 LYS 55 2HE LYS 55 -14.776 -11.068 -2.177 413 HE3 LYS 55 1HE LYS 55 -13.765 -12.479 -2.479 414 HZ1 LYS 55 3HZ LYS 55 -11.972 -11.309 -1.248 415 HZ2 LYS 55 1HZ LYS 55 -13.320 -11.695 -0.300 416 HZ3 LYS 55 2HZ LYS 55 -13.093 -10.104 -0.829 417 H SER 56 H SER 56 -9.725 -12.327 -6.335 418 HA SER 56 HA SER 56 -11.075 -14.796 -7.210 419 HB2 SER 56 2HB SER 56 -9.007 -15.252 -8.550 420 HB3 SER 56 1HB SER 56 -9.915 -13.845 -9.099 421 HG SER 56 HG SER 56 -7.413 -13.872 -8.614 422 H ASP 57 H ASP 57 -9.758 -13.540 -4.635 423 HA ASP 57 HA ASP 57 -8.881 -14.363 -2.707 424 HB2 ASP 57 2HB ASP 57 -10.200 -16.406 -3.166 425 HB3 ASP 57 1HB ASP 57 -8.859 -17.047 -4.107 426 H PHE 58 H PHE 58 -7.371 -14.288 -5.597 427 HA PHE 58 HA PHE 58 -4.739 -14.302 -4.317 428 HB2 PHE 58 2HB PHE 58 -5.429 -15.577 -6.977 429 HB3 PHE 58 1HB PHE 58 -3.785 -15.229 -6.460 430 HD1 PHE 58 1HD PHE 58 -2.871 -16.396 -4.451 431 HD2 PHE 58 2HD PHE 58 -6.558 -17.511 -6.258 432 HE1 PHE 58 1HE PHE 58 -2.756 -18.582 -3.328 433 HE2 PHE 58 2HE PHE 58 -6.450 -19.697 -5.137 434 HZ PHE 58 HZ PHE 58 -4.548 -20.235 -3.669 435 H VAL 59 H VAL 59 -3.260 -12.813 -5.312 436 HA VAL 59 HA VAL 59 -4.625 -10.845 -7.014 437 HB VAL 59 HB VAL 59 -4.504 -9.373 -5.353 438 HG11 VAL 59 1HG1 VAL 59 -2.693 -11.196 -3.812 439 HG12 VAL 59 2HG1 VAL 59 -4.454 -11.254 -3.796 440 HG13 VAL 59 3HG1 VAL 59 -3.613 -9.834 -3.175 441 HG21 VAL 59 3HG2 VAL 59 -1.542 -9.679 -5.641 442 HG22 VAL 59 1HG2 VAL 59 -2.308 -8.479 -4.602 443 HG23 VAL 59 2HG2 VAL 59 -2.585 -8.441 -6.344 444 H GLU 60 H GLU 60 -3.781 -11.167 -8.940 445 HA GLU 60 HA GLU 60 -0.921 -11.676 -9.252 446 HB2 GLU 60 2HB GLU 60 -3.243 -11.845 -11.157 447 HB3 GLU 60 1HB GLU 60 -1.575 -12.009 -11.682 448 HG2 GLU 60 2HG GLU 60 -2.909 -13.750 -9.627 449 HG3 GLU 60 1HG GLU 60 -2.703 -14.167 -11.327 450 H GLU 61 H GLU 61 0.011 -10.640 -11.380 451 HA GLU 61 HA GLU 61 0.367 -7.910 -10.883 452 HB2 GLU 61 2HB GLU 61 2.024 -9.244 -12.057 453 HB3 GLU 61 1HB GLU 61 0.910 -9.500 -13.392 454 HG2 GLU 61 2HG GLU 61 0.969 -7.125 -13.916 455 HG3 GLU 61 1HG GLU 61 2.047 -6.842 -12.552 456 H ASP 62 H ASP 62 -1.669 -9.539 -13.290 457 HA ASP 62 HA ASP 62 -2.535 -7.240 -14.647 458 HB2 ASP 62 2HB ASP 62 -3.760 -9.964 -14.295 459 HB3 ASP 62 1HB ASP 62 -4.597 -8.697 -15.187 460 H GLU 63 H GLU 63 -3.386 -8.484 -11.562 461 HA GLU 63 HA GLU 63 -5.821 -6.957 -11.380 462 HB2 GLU 63 2HB GLU 63 -4.254 -8.563 -9.368 463 HB3 GLU 63 1HB GLU 63 -5.718 -7.668 -8.958 464 HG2 GLU 63 2HG GLU 63 -6.912 -8.932 -10.715 465 HG3 GLU 63 1HG GLU 63 -5.461 -9.908 -10.941 466 H LEU 64 H LEU 64 -2.494 -6.704 -10.222 467 HA LEU 64 HA LEU 64 -2.833 -4.354 -8.723 468 HB2 LEU 64 2HB LEU 64 -0.483 -5.661 -10.012 469 HB3 LEU 64 1HB LEU 64 -0.319 -4.034 -9.380 470 HG LEU 64 HG LEU 64 0.439 -5.441 -7.667 471 HD11 LEU 64 1HD1 LEU 64 -0.988 -4.970 -5.865 472 HD12 LEU 64 2HD1 LEU 64 -2.417 -4.973 -6.895 473 HD13 LEU 64 3HD1 LEU 64 -1.236 -3.669 -7.033 474 HD21 LEU 64 3HD2 LEU 64 -0.410 -7.550 -8.538 475 HD22 LEU 64 1HD2 LEU 64 -2.042 -7.105 -8.036 476 HD23 LEU 64 2HD2 LEU 64 -0.785 -7.367 -6.824 477 H LYS 65 H LYS 65 -2.798 -4.897 -12.088 478 HA LYS 65 HA LYS 65 -1.997 -2.343 -12.944 479 HB2 LYS 65 2HB LYS 65 -3.073 -4.727 -14.135 480 HB3 LYS 65 1HB LYS 65 -3.898 -3.319 -14.784 481 HG2 LYS 65 2HG LYS 65 -1.951 -4.017 -16.120 482 HG3 LYS 65 1HG LYS 65 -1.827 -2.365 -15.518 483 HD2 LYS 65 2HD LYS 65 -0.276 -3.009 -13.832 484 HD3 LYS 65 1HD LYS 65 -0.556 -4.727 -14.143 485 HE2 LYS 65 2HE LYS 65 0.449 -4.526 -16.330 486 HE3 LYS 65 1HE LYS 65 0.636 -2.785 -16.120 487 HZ1 LYS 65 3HZ LYS 65 2.135 -3.244 -14.251 488 HZ2 LYS 65 1HZ LYS 65 2.710 -3.899 -15.702 489 HZ3 LYS 65 2HZ LYS 65 1.993 -4.903 -14.550 490 H LEU 66 H LEU 66 -5.269 -3.682 -12.431 491 HA LEU 66 HA LEU 66 -6.281 -0.932 -12.534 492 HB2 LEU 66 2HB LEU 66 -7.788 -3.530 -12.767 493 HB3 LEU 66 1HB LEU 66 -8.516 -1.936 -12.821 494 HG LEU 66 HG LEU 66 -8.378 -2.411 -15.056 495 HD11 LEU 66 1HD1 LEU 66 -7.233 -0.323 -14.724 496 HD12 LEU 66 2HD1 LEU 66 -6.453 -1.211 -16.032 497 HD13 LEU 66 3HD1 LEU 66 -5.706 -1.158 -14.431 498 HD21 LEU 66 3HD2 LEU 66 -5.779 -3.833 -14.515 499 HD22 LEU 66 1HD2 LEU 66 -6.487 -3.610 -16.116 500 HD23 LEU 66 2HD2 LEU 66 -7.336 -4.565 -14.901 501 H PHE 67 H PHE 67 -5.174 -2.869 -10.215 502 HA PHE 67 HA PHE 67 -7.269 -3.008 -8.336 503 HB2 PHE 67 2HB PHE 67 -5.748 -3.958 -6.965 504 HB3 PHE 67 1HB PHE 67 -4.712 -3.950 -8.380 505 HD1 PHE 67 2HD PHE 67 -3.030 -2.078 -8.631 506 HD2 PHE 67 1HD PHE 67 -5.187 -2.764 -5.034 507 HE1 PHE 67 2HE PHE 67 -1.370 -0.761 -7.383 508 HE2 PHE 67 1HE PHE 67 -3.537 -1.446 -3.782 509 HZ PHE 67 HZ PHE 67 -1.620 -0.442 -4.956 510 H LEU 68 H LEU 68 -5.199 -0.457 -9.346 511 HA LEU 68 HA LEU 68 -5.545 1.211 -7.070 512 HB2 LEU 68 2HB LEU 68 -4.855 2.226 -9.803 513 HB3 LEU 68 1HB LEU 68 -4.318 2.822 -8.242 514 HG LEU 68 HG LEU 68 -3.376 0.207 -8.351 515 HD11 LEU 68 1HD1 LEU 68 -2.207 0.004 -10.422 516 HD12 LEU 68 2HD1 LEU 68 -2.780 1.581 -10.958 517 HD13 LEU 68 3HD1 LEU 68 -3.919 0.245 -10.777 518 HD21 LEU 68 3HD2 LEU 68 -1.198 1.243 -8.410 519 HD22 LEU 68 1HD2 LEU 68 -2.274 2.153 -7.350 520 HD23 LEU 68 2HD2 LEU 68 -1.906 2.762 -8.966 521 H GLN 69 H GLN 69 -7.192 0.813 -10.135 522 HA GLN 69 HA GLN 69 -8.919 3.050 -9.850 523 HB2 GLN 69 2HB GLN 69 -9.251 0.472 -11.393 524 HB3 GLN 69 1HB GLN 69 -10.362 1.830 -11.496 525 HG2 GLN 69 2HG GLN 69 -8.515 3.243 -12.310 526 HG3 GLN 69 1HG GLN 69 -7.456 1.832 -12.274 527 HE21 GLN 69 1HE2 GLN 69 -7.096 1.984 -14.502 528 HE22 GLN 69 2HE2 GLN 69 -8.296 1.505 -15.652 529 H ASN 70 H ASN 70 -8.774 -0.106 -8.507 530 HA ASN 70 HA ASN 70 -11.500 -0.078 -7.518 531 HB2 ASN 70 2HB ASN 70 -10.365 -2.209 -8.090 532 HB3 ASN 70 1HB ASN 70 -9.193 -1.912 -6.813 533 HD21 ASN 70 1HD2 ASN 70 -9.765 -3.848 -5.809 534 HD22 ASN 70 2HD2 ASN 70 -11.233 -4.007 -4.911 535 H PHE 71 H PHE 71 -8.304 0.759 -6.441 536 HA PHE 71 HA PHE 71 -8.932 1.199 -3.696 537 HB2 PHE 71 2HB PHE 71 -6.613 0.933 -4.856 538 HB3 PHE 71 1HB PHE 71 -6.763 2.647 -5.213 539 HD1 PHE 71 1HD PHE 71 -7.317 4.158 -3.108 540 HD2 PHE 71 2HD PHE 71 -5.543 0.294 -2.939 541 HE1 PHE 71 1HE PHE 71 -6.378 4.686 -0.897 542 HE2 PHE 71 2HE PHE 71 -4.610 0.814 -0.726 543 HZ PHE 71 HZ PHE 71 -5.027 3.014 0.298 544 H SER 72 H SER 72 -8.529 3.345 -6.496 545 HA SER 72 HA SER 72 -10.572 5.141 -5.464 546 HB2 SER 72 2HB SER 72 -7.774 6.089 -6.146 547 HB3 SER 72 1HB SER 72 -9.143 7.130 -5.751 548 HG SER 72 HG SER 72 -8.882 5.281 -3.842 549 H ALA 73 H ALA 73 -11.601 6.303 -7.076 550 HA ALA 73 HA ALA 73 -11.779 4.890 -9.504 551 HB1 ALA 73 1HB ALA 73 -13.513 6.467 -10.098 552 HB2 ALA 73 2HB ALA 73 -12.997 7.556 -8.809 553 HB3 ALA 73 3HB ALA 73 -13.685 5.982 -8.412 554 H GLY 74 H GLY 74 -10.043 7.790 -8.640 555 HA2 GLY 74 2HA GLY 74 -9.381 8.198 -11.488 556 HA3 GLY 74 1HA GLY 74 -9.299 9.447 -10.255 557 H ALA 75 H ALA 75 -8.069 6.119 -10.304 558 HA ALA 75 HA ALA 75 -5.441 7.162 -9.530 559 HB1 ALA 75 1HB ALA 75 -6.423 5.506 -8.045 560 HB2 ALA 75 2HB ALA 75 -4.956 4.881 -8.802 561 HB3 ALA 75 3HB ALA 75 -6.539 4.361 -9.383 562 H ARG 76 H ARG 76 -3.532 6.178 -10.455 563 HA ARG 76 HA ARG 76 -3.824 5.875 -13.326 564 HB2 ARG 76 2HB ARG 76 -1.280 6.099 -11.710 565 HB3 ARG 76 1HB ARG 76 -1.458 6.321 -13.444 566 HG2 ARG 76 2HG ARG 76 -2.588 8.104 -11.299 567 HG3 ARG 76 1HG ARG 76 -1.201 8.453 -12.333 568 HD2 ARG 76 2HD ARG 76 -2.607 8.475 -14.288 569 HD3 ARG 76 1HD ARG 76 -3.997 7.958 -13.335 570 HE ARG 76 HE ARG 76 -2.683 10.504 -12.706 571 HH11 ARG 76 1HH1 ARG 76 -5.465 8.753 -13.911 572 HH12 ARG 76 2HH1 ARG 76 -6.537 10.108 -13.776 573 HH21 ARG 76 1HH2 ARG 76 -4.088 12.293 -12.528 574 HH22 ARG 76 2HH2 ARG 76 -5.744 12.132 -13.017 575 H ALA 77 H ALA 77 -3.179 4.061 -14.465 576 HA ALA 77 HA ALA 77 -2.807 1.623 -12.964 577 HB1 ALA 77 1HB ALA 77 -2.753 0.521 -15.154 578 HB2 ALA 77 2HB ALA 77 -2.763 2.097 -15.945 579 HB3 ALA 77 3HB ALA 77 -4.156 1.580 -14.997 580 H LEU 78 H LEU 78 -0.936 0.540 -12.666 581 HA LEU 78 HA LEU 78 1.421 2.147 -12.782 582 HB2 LEU 78 2HB LEU 78 1.130 -0.726 -11.921 583 HB3 LEU 78 1HB LEU 78 2.478 0.338 -11.565 584 HG LEU 78 HG LEU 78 -0.337 0.562 -10.519 585 HD11 LEU 78 1HD1 LEU 78 2.298 0.066 -9.150 586 HD12 LEU 78 2HD1 LEU 78 1.022 -1.121 -9.421 587 HD13 LEU 78 3HD1 LEU 78 0.738 0.249 -8.348 588 HD21 LEU 78 3HD2 LEU 78 1.982 2.429 -10.044 589 HD22 LEU 78 1HD2 LEU 78 0.386 2.529 -9.303 590 HD23 LEU 78 2HD2 LEU 78 0.569 2.788 -11.037 591 H SER 79 H SER 79 3.290 1.836 -13.891 592 HA SER 79 HA SER 79 2.985 0.324 -16.355 593 HB2 SER 79 2HB SER 79 5.016 1.730 -17.037 594 HB3 SER 79 1HB SER 79 3.502 2.594 -16.772 595 HG SER 79 HG SER 79 4.261 3.404 -14.905 596 H ASP 80 H ASP 80 5.548 -0.024 -17.177 597 HA ASP 80 HA ASP 80 6.130 -2.544 -16.271 598 HB2 ASP 80 2HB ASP 80 8.000 -0.549 -17.535 599 HB3 ASP 80 1HB ASP 80 8.379 -2.253 -17.317 600 H ALA 81 H ALA 81 8.190 0.245 -15.497 601 HA ALA 81 HA ALA 81 9.527 -1.373 -13.584 602 HB1 ALA 81 1HB ALA 81 10.880 0.594 -13.097 603 HB2 ALA 81 2HB ALA 81 9.758 1.606 -14.005 604 HB3 ALA 81 3HB ALA 81 10.710 0.379 -14.839 605 H GLU 82 H GLU 82 6.881 0.826 -13.508 606 HA GLU 82 HA GLU 82 6.918 1.499 -10.781 607 HB2 GLU 82 2HB GLU 82 5.675 2.746 -12.497 608 HB3 GLU 82 1HB GLU 82 4.616 1.362 -12.731 609 HG2 GLU 82 2HG GLU 82 3.562 3.042 -11.353 610 HG3 GLU 82 1HG GLU 82 3.851 1.551 -10.459 611 H THR 83 H THR 83 4.851 -0.851 -12.560 612 HA THR 83 HA THR 83 3.733 -2.012 -10.253 613 HB THR 83 HB THR 83 4.266 -3.726 -12.655 614 HG1 THR 83 1HG THR 83 3.592 -1.664 -13.477 615 HG21 THR 83 3HG2 THR 83 1.879 -3.349 -10.848 616 HG22 THR 83 1HG2 THR 83 3.038 -4.675 -10.780 617 HG23 THR 83 2HG2 THR 83 1.981 -4.499 -12.181 618 H LYS 84 H LYS 84 6.717 -2.672 -11.978 619 HA LYS 84 HA LYS 84 7.396 -5.127 -10.840 620 HB2 LYS 84 2HB LYS 84 8.540 -4.230 -12.782 621 HB3 LYS 84 1HB LYS 84 9.166 -2.891 -11.833 622 HG2 LYS 84 2HG LYS 84 10.428 -4.521 -10.460 623 HG3 LYS 84 1HG LYS 84 9.879 -5.799 -11.545 624 HD2 LYS 84 2HD LYS 84 10.937 -4.647 -13.426 625 HD3 LYS 84 1HD LYS 84 11.492 -3.380 -12.336 626 HE2 LYS 84 2HE LYS 84 12.772 -5.069 -11.077 627 HE3 LYS 84 1HE LYS 84 12.264 -6.291 -12.242 628 HZ1 LYS 84 3HZ LYS 84 14.456 -5.461 -12.763 629 HZ2 LYS 84 1HZ LYS 84 13.877 -3.876 -12.844 630 HZ3 LYS 84 2HZ LYS 84 13.371 -5.021 -13.982 631 H VAL 85 H VAL 85 8.668 -1.914 -9.923 632 HA VAL 85 HA VAL 85 10.032 -2.901 -7.647 633 HB VAL 85 HB VAL 85 9.180 -0.058 -8.238 634 HG11 VAL 85 1HG1 VAL 85 9.792 -0.386 -5.895 635 HG12 VAL 85 2HG1 VAL 85 11.000 0.585 -6.737 636 HG13 VAL 85 3HG1 VAL 85 11.319 -1.114 -6.390 637 HG21 VAL 85 3HG2 VAL 85 11.753 -1.500 -8.875 638 HG22 VAL 85 1HG2 VAL 85 11.444 0.216 -9.139 639 HG23 VAL 85 2HG2 VAL 85 10.528 -0.993 -10.039 640 H PHE 86 H PHE 86 6.876 -1.407 -8.116 641 HA PHE 86 HA PHE 86 6.148 -1.138 -5.428 642 HB2 PHE 86 2HB PHE 86 4.719 -0.027 -6.870 643 HB3 PHE 86 1HB PHE 86 4.637 -1.373 -7.995 644 HD1 PHE 86 2HD PHE 86 3.560 -0.329 -4.595 645 HD2 PHE 86 1HD PHE 86 2.834 -2.820 -7.963 646 HE1 PHE 86 2HE PHE 86 1.425 -1.044 -3.603 647 HE2 PHE 86 1HE PHE 86 0.707 -3.538 -6.978 648 HZ PHE 86 HZ PHE 86 -0.005 -2.652 -4.795 649 H LEU 87 H LEU 87 5.485 -3.841 -7.685 650 HA LEU 87 HA LEU 87 4.170 -5.498 -5.864 651 HB2 LEU 87 2HB LEU 87 5.900 -6.172 -8.238 652 HB3 LEU 87 1HB LEU 87 5.068 -7.396 -7.303 653 HG LEU 87 HG LEU 87 3.700 -5.149 -8.784 654 HD11 LEU 87 1HD1 LEU 87 3.002 -6.922 -10.348 655 HD12 LEU 87 2HD1 LEU 87 4.066 -8.051 -9.508 656 HD13 LEU 87 3HD1 LEU 87 4.746 -6.659 -10.351 657 HD21 LEU 87 3HD2 LEU 87 1.690 -6.595 -8.426 658 HD22 LEU 87 1HD2 LEU 87 2.335 -5.862 -6.957 659 HD23 LEU 87 2HD2 LEU 87 2.655 -7.558 -7.310 660 H LYS 88 H LYS 88 7.599 -5.340 -6.716 661 HA LYS 88 HA LYS 88 8.383 -7.460 -5.043 662 HB2 LYS 88 2HB LYS 88 9.951 -5.270 -6.387 663 HB3 LYS 88 1HB LYS 88 10.712 -6.548 -5.440 664 HG2 LYS 88 2HG LYS 88 8.890 -7.109 -7.759 665 HG3 LYS 88 1HG LYS 88 10.642 -6.928 -7.916 666 HD2 LYS 88 2HD LYS 88 11.000 -8.744 -6.365 667 HD3 LYS 88 1HD LYS 88 9.265 -8.899 -6.096 668 HE2 LYS 88 2HE LYS 88 10.570 -9.257 -8.785 669 HE3 LYS 88 1HE LYS 88 10.259 -10.586 -7.669 670 HZ1 LYS 88 3HZ LYS 88 7.918 -10.166 -7.791 671 HZ2 LYS 88 1HZ LYS 88 8.517 -10.290 -9.372 672 HZ3 LYS 88 2HZ LYS 88 8.158 -8.774 -8.729 673 H ALA 89 H ALA 89 7.669 -4.200 -4.276 674 HA ALA 89 HA ALA 89 9.183 -3.770 -1.984 675 HB1 ALA 89 1HB ALA 89 7.508 -2.168 -2.967 676 HB2 ALA 89 2HB ALA 89 7.449 -2.320 -1.210 677 HB3 ALA 89 3HB ALA 89 6.241 -3.134 -2.203 678 H GLY 90 H GLY 90 6.352 -5.772 -2.512 679 HA2 GLY 90 2HA GLY 90 6.681 -6.874 0.206 680 HA3 GLY 90 1HA GLY 90 5.155 -6.846 -0.668 681 H ASP 91 H ASP 91 6.031 -7.695 -3.172 682 HA ASP 91 HA ASP 91 5.945 -10.495 -2.916 683 HB2 ASP 91 2HB ASP 91 5.237 -9.257 -4.945 684 HB3 ASP 91 1HB ASP 91 6.926 -8.888 -5.290 685 H SER 92 H SER 92 7.539 -11.332 -1.667 686 HA SER 92 HA SER 92 10.328 -10.625 -2.212 687 HB2 SER 92 2HB SER 92 9.187 -12.283 0.048 688 HB3 SER 92 1HB SER 92 10.809 -11.597 -0.052 689 HG SER 92 HG SER 92 8.495 -9.967 -0.150 690 H ASP 93 H ASP 93 8.018 -13.190 -2.440 691 HA ASP 93 HA ASP 93 10.024 -15.212 -2.925 692 HB2 ASP 93 2HB ASP 93 8.018 -16.669 -3.448 693 HB3 ASP 93 1HB ASP 93 8.127 -16.047 -1.810 694 H GLY 94 H GLY 94 8.609 -12.817 -4.726 695 HA2 GLY 94 2HA GLY 94 8.991 -12.200 -6.898 696 HA3 GLY 94 1HA GLY 94 10.132 -13.530 -6.999 697 H ASP 95 H ASP 95 6.614 -13.541 -6.441 698 HA ASP 95 HA ASP 95 6.437 -15.296 -8.783 699 HB2 ASP 95 2HB ASP 95 4.345 -16.212 -7.778 700 HB3 ASP 95 1HB ASP 95 5.807 -16.555 -6.875 701 H GLY 96 H GLY 96 6.213 -12.270 -8.484 702 HA2 GLY 96 2HA GLY 96 5.224 -10.686 -9.825 703 HA3 GLY 96 1HA GLY 96 4.546 -12.015 -10.750 704 H LYS 97 H LYS 97 3.943 -11.544 -7.365 705 HA LYS 97 HA LYS 97 1.209 -10.592 -7.864 706 HB2 LYS 97 2HB LYS 97 0.185 -12.502 -7.142 707 HB3 LYS 97 1HB LYS 97 1.670 -13.275 -7.679 708 HG2 LYS 97 2HG LYS 97 2.541 -12.920 -5.301 709 HG3 LYS 97 1HG LYS 97 0.868 -12.520 -4.886 710 HD2 LYS 97 2HD LYS 97 1.874 -15.126 -6.013 711 HD3 LYS 97 1HD LYS 97 1.242 -14.835 -4.394 712 HE2 LYS 97 2HE LYS 97 -0.943 -14.270 -5.386 713 HE3 LYS 97 1HE LYS 97 -0.296 -14.652 -6.978 714 HZ1 LYS 97 3HZ LYS 97 -0.614 -16.524 -4.702 715 HZ2 LYS 97 1HZ LYS 97 0.161 -16.912 -6.155 716 HZ3 LYS 97 2HZ LYS 97 -1.485 -16.531 -6.152 717 H ILE 98 H ILE 98 0.158 -10.030 -5.803 718 HA ILE 98 HA ILE 98 2.164 -9.436 -3.747 719 HB ILE 98 HB ILE 98 -0.539 -8.226 -4.281 720 HG12 ILE 98 2HG1 ILE 98 1.283 -7.320 -5.617 721 HG13 ILE 98 1HG1 ILE 98 0.751 -6.128 -4.435 722 HG21 ILE 98 1HG2 ILE 98 -0.344 -8.546 -1.895 723 HG22 ILE 98 2HG2 ILE 98 -0.198 -6.835 -2.297 724 HG23 ILE 98 3HG2 ILE 98 1.243 -7.775 -1.904 725 HD11 ILE 98 3HD1 ILE 98 3.101 -6.053 -4.463 726 HD12 ILE 98 1HD1 ILE 98 3.236 -7.809 -4.374 727 HD13 ILE 98 2HD1 ILE 98 2.654 -6.895 -2.984 728 H GLY 99 H GLY 99 2.250 -11.444 -2.737 729 HA2 GLY 99 2HA GLY 99 -0.003 -12.770 -1.676 730 HA3 GLY 99 1HA GLY 99 1.612 -12.769 -0.952 731 H VAL 100 H VAL 100 -1.204 -12.295 0.224 732 HA VAL 100 HA VAL 100 -1.297 -9.480 0.640 733 HB VAL 100 HB VAL 100 -2.822 -10.792 2.622 734 HG11 VAL 100 1HG1 VAL 100 -4.663 -9.719 1.358 735 HG12 VAL 100 2HG1 VAL 100 -3.514 -9.348 0.067 736 HG13 VAL 100 3HG1 VAL 100 -3.311 -8.629 1.670 737 HG21 VAL 100 3HG2 VAL 100 -4.342 -12.104 1.177 738 HG22 VAL 100 1HG2 VAL 100 -2.738 -12.821 1.316 739 HG23 VAL 100 2HG2 VAL 100 -3.186 -11.934 -0.142 740 H ASP 101 H ASP 101 0.258 -12.073 2.173 741 HA ASP 101 HA ASP 101 0.817 -10.647 4.608 742 HB2 ASP 101 2HB ASP 101 2.156 -12.547 5.196 743 HB3 ASP 101 1HB ASP 101 0.692 -13.142 4.407 744 H GLU 102 H GLU 102 2.365 -11.295 1.511 745 HA GLU 102 HA GLU 102 4.762 -9.876 1.930 746 HB2 GLU 102 2HB GLU 102 3.197 -10.010 -0.677 747 HB3 GLU 102 1HB GLU 102 4.925 -9.729 -0.489 748 HG2 GLU 102 2HG GLU 102 4.933 -12.085 0.607 749 HG3 GLU 102 1HG GLU 102 3.384 -12.276 -0.206 750 H PHE 103 H PHE 103 1.525 -8.943 1.034 751 HA PHE 103 HA PHE 103 1.928 -6.249 0.383 752 HB2 PHE 103 2HB PHE 103 -0.116 -7.673 -0.044 753 HB3 PHE 103 1HB PHE 103 -0.544 -7.439 1.644 754 HD1 PHE 103 2HD PHE 103 0.673 -5.182 -1.070 755 HD2 PHE 103 1HD PHE 103 -2.290 -5.997 1.871 756 HE1 PHE 103 2HE PHE 103 -0.488 -3.100 -1.674 757 HE2 PHE 103 1HE PHE 103 -3.457 -3.920 1.273 758 HZ PHE 103 HZ PHE 103 -2.556 -2.467 -0.504 759 H GLY 104 H GLY 104 0.797 -7.686 3.454 760 HA2 GLY 104 2HA GLY 104 0.657 -5.338 4.940 761 HA3 GLY 104 1HA GLY 104 0.989 -6.926 5.618 762 H ALA 105 H ALA 105 3.431 -7.347 4.170 763 HA ALA 105 HA ALA 105 5.245 -6.069 5.941 764 HB1 ALA 105 1HB ALA 105 5.812 -7.642 3.429 765 HB2 ALA 105 2HB ALA 105 5.628 -8.316 5.049 766 HB3 ALA 105 3HB ALA 105 6.978 -7.240 4.689 767 H MET 106 H MET 106 4.532 -5.603 2.471 768 HA MET 106 HA MET 106 6.614 -3.715 2.055 769 HB2 MET 106 2HB MET 106 5.570 -3.227 -0.059 770 HB3 MET 106 1HB MET 106 5.538 -4.963 0.209 771 HG2 MET 106 2HG MET 106 3.171 -4.428 1.181 772 HG3 MET 106 1HG MET 106 3.307 -2.999 0.172 773 HE1 MET 106 3HE MET 106 2.907 -4.251 -3.365 774 HE2 MET 106 1HE MET 106 4.378 -3.633 -2.610 775 HE3 MET 106 2HE MET 106 2.814 -2.915 -2.220 776 H ILE 107 H ILE 107 3.340 -3.426 3.208 777 HA ILE 107 HA ILE 107 3.146 -0.604 2.737 778 HB ILE 107 HB ILE 107 1.477 -2.371 4.551 779 HG12 ILE 107 2HG1 ILE 107 0.902 -1.386 1.748 780 HG13 ILE 107 1HG1 ILE 107 1.436 -3.018 2.146 781 HG21 ILE 107 1HG2 ILE 107 0.919 0.384 3.460 782 HG22 ILE 107 2HG2 ILE 107 1.364 0.006 5.124 783 HG23 ILE 107 3HG2 ILE 107 -0.162 -0.581 4.465 784 HD11 ILE 107 3HD1 ILE 107 -0.960 -2.930 1.805 785 HD12 ILE 107 1HD1 ILE 107 -1.107 -1.720 3.079 786 HD13 ILE 107 2HD1 ILE 107 -0.574 -3.354 3.473 787 H LYS 108 H LYS 108 3.959 -2.734 5.361 788 HA LYS 108 HA LYS 108 4.090 -0.669 7.344 789 HB2 LYS 108 2HB LYS 108 3.451 -3.033 7.789 790 HB3 LYS 108 1HB LYS 108 5.096 -3.529 7.422 791 HG2 LYS 108 2HG LYS 108 4.426 -1.589 9.625 792 HG3 LYS 108 1HG LYS 108 4.458 -3.333 9.868 793 HD2 LYS 108 2HD LYS 108 6.814 -1.954 8.665 794 HD3 LYS 108 1HD LYS 108 6.562 -1.876 10.410 795 HE2 LYS 108 2HE LYS 108 7.982 -3.708 10.111 796 HE3 LYS 108 1HE LYS 108 6.388 -4.428 10.306 797 HZ1 LYS 108 3HZ LYS 108 7.749 -3.950 7.705 798 HZ2 LYS 108 1HZ LYS 108 6.243 -4.701 7.924 799 HZ3 LYS 108 2HZ LYS 108 7.647 -5.442 8.501 800 H ALA 109 H ALA 109 6.261 -2.243 5.124 801 HA ALA 109 HA ALA 109 8.471 -2.063 4.668 802 HB1 ALA 109 1HB ALA 109 8.180 0.614 6.034 803 HB2 ALA 109 2HB ALA 109 7.972 0.289 4.314 804 HB3 ALA 109 3HB ALA 109 9.560 0.110 5.059 Start of MODEL 2 1 H1 MET 1 1HT MET 1 -18.027 14.089 0.420 2 H2 MET 1 2HT MET 1 -17.657 13.677 -1.176 3 H3 MET 1 3HT MET 1 -16.414 13.972 -0.075 4 HA MET 1 HA MET 1 -17.068 12.051 1.218 5 HB2 MET 1 2HB MET 1 -19.066 11.695 -1.024 6 HB3 MET 1 1HB MET 1 -18.669 10.447 0.147 7 HG2 MET 1 2HG MET 1 -19.471 11.894 1.950 8 HG3 MET 1 1HG MET 1 -19.892 13.125 0.763 9 HE1 MET 1 2HE MET 1 -21.945 9.002 1.090 10 HE2 MET 1 3HE MET 1 -20.670 9.562 2.171 11 HE3 MET 1 1HE MET 1 -20.301 9.195 0.485 12 H ALA 2 H ALA 2 -15.059 11.342 0.874 13 HA ALA 2 HA ALA 2 -14.156 10.731 -1.819 14 HB1 ALA 2 1HB ALA 2 -12.661 10.657 0.798 15 HB2 ALA 2 2HB ALA 2 -12.701 12.014 -0.328 16 HB3 ALA 2 3HB ALA 2 -11.953 10.491 -0.808 17 H PHE 3 H PHE 3 -15.584 8.911 -2.095 18 HA PHE 3 HA PHE 3 -15.937 6.693 -2.356 19 HB2 PHE 3 2HB PHE 3 -13.182 6.390 -1.142 20 HB3 PHE 3 1HB PHE 3 -14.086 5.112 -1.948 21 HD1 PHE 3 2HD PHE 3 -14.653 5.396 -4.388 22 HD2 PHE 3 1HD PHE 3 -11.867 7.890 -2.358 23 HE1 PHE 3 2HE PHE 3 -13.699 6.084 -6.549 24 HE2 PHE 3 1HE PHE 3 -10.911 8.583 -4.512 25 HZ PHE 3 HZ PHE 3 -11.825 7.680 -6.611 26 H ALA 4 H ALA 4 -14.005 6.409 0.593 27 HA ALA 4 HA ALA 4 -16.437 5.518 1.997 28 HB1 ALA 4 1HB ALA 4 -13.648 4.402 2.275 29 HB2 ALA 4 2HB ALA 4 -15.019 3.604 1.502 30 HB3 ALA 4 3HB ALA 4 -15.045 3.920 3.236 31 H GLY 5 H GLY 5 -13.935 7.734 1.857 32 HA2 GLY 5 2HA GLY 5 -13.477 9.513 3.262 33 HA3 GLY 5 1HA GLY 5 -14.587 8.830 4.448 34 H ILE 6 H ILE 6 -13.107 6.214 4.253 35 HA ILE 6 HA ILE 6 -11.217 6.451 6.289 36 HB ILE 6 HB ILE 6 -11.342 4.391 4.072 37 HG12 ILE 6 2HG1 ILE 6 -12.451 4.309 6.887 38 HG13 ILE 6 1HG1 ILE 6 -13.403 4.561 5.428 39 HG21 ILE 6 1HG2 ILE 6 -9.890 4.313 6.711 40 HG22 ILE 6 2HG2 ILE 6 -9.162 4.345 5.107 41 HG23 ILE 6 3HG2 ILE 6 -10.089 2.938 5.627 42 HD11 ILE 6 3HD1 ILE 6 -12.791 2.340 4.637 43 HD12 ILE 6 1HD1 ILE 6 -13.569 2.269 6.219 44 HD13 ILE 6 2HD1 ILE 6 -11.819 2.087 6.088 45 H LEU 7 H LEU 7 -10.966 6.743 2.837 46 HA LEU 7 HA LEU 7 -8.291 7.859 3.155 47 HB2 LEU 7 2HB LEU 7 -7.549 6.914 1.061 48 HB3 LEU 7 1HB LEU 7 -8.028 5.644 2.160 49 HG LEU 7 HG LEU 7 -8.702 4.965 0.004 50 HD11 LEU 7 1HD1 LEU 7 -11.228 6.047 1.203 51 HD12 LEU 7 2HD1 LEU 7 -10.392 4.602 1.769 52 HD13 LEU 7 3HD1 LEU 7 -11.046 4.658 0.133 53 HD21 LEU 7 3HD2 LEU 7 -10.003 7.648 -0.377 54 HD22 LEU 7 1HD2 LEU 7 -10.105 6.290 -1.498 55 HD23 LEU 7 2HD2 LEU 7 -8.548 7.054 -1.178 56 H ASN 8 H ASN 8 -7.725 9.438 1.554 57 HA ASN 8 HA ASN 8 -10.102 10.881 0.601 58 HB2 ASN 8 2HB ASN 8 -7.259 11.828 1.060 59 HB3 ASN 8 1HB ASN 8 -8.560 12.831 0.429 60 HD21 ASN 8 1HD2 ASN 8 -10.515 11.510 2.242 61 HD22 ASN 8 2HD2 ASN 8 -10.231 12.224 3.789 62 H ASP 9 H ASP 9 -10.407 11.210 -1.523 63 HA ASP 9 HA ASP 9 -9.078 9.732 -3.488 64 HB2 ASP 9 2HB ASP 9 -11.304 10.627 -3.878 65 HB3 ASP 9 1HB ASP 9 -10.708 12.274 -3.726 66 H ALA 10 H ALA 10 -8.546 12.891 -2.170 67 HA ALA 10 HA ALA 10 -6.731 13.852 -4.125 68 HB1 ALA 10 1HB ALA 10 -7.953 15.357 -2.687 69 HB2 ALA 10 2HB ALA 10 -6.222 15.570 -2.418 70 HB3 ALA 10 3HB ALA 10 -7.193 14.661 -1.257 71 H ASP 11 H ASP 11 -6.281 12.094 -1.065 72 HA ASP 11 HA ASP 11 -3.457 12.609 -1.057 73 HB2 ASP 11 2HB ASP 11 -3.410 11.722 1.070 74 HB3 ASP 11 1HB ASP 11 -5.086 12.222 0.949 75 H ILE 12 H ILE 12 -5.501 9.824 -1.614 76 HA ILE 12 HA ILE 12 -3.536 8.011 -2.408 77 HB ILE 12 HB ILE 12 -6.425 8.337 -2.991 78 HG12 ILE 12 2HG1 ILE 12 -6.504 6.021 -2.158 79 HG13 ILE 12 1HG1 ILE 12 -4.747 5.985 -2.089 80 HG21 ILE 12 1HG2 ILE 12 -5.612 7.830 -5.218 81 HG22 ILE 12 2HG2 ILE 12 -6.437 6.421 -4.550 82 HG23 ILE 12 3HG2 ILE 12 -4.676 6.471 -4.595 83 HD11 ILE 12 3HD1 ILE 12 -4.760 7.693 -0.376 84 HD12 ILE 12 1HD1 ILE 12 -5.754 6.318 0.102 85 HD13 ILE 12 2HD1 ILE 12 -6.517 7.799 -0.476 86 H THR 13 H THR 13 -5.403 10.249 -4.478 87 HA THR 13 HA THR 13 -4.104 9.726 -6.872 88 HB THR 13 HB THR 13 -5.358 12.304 -5.919 89 HG1 THR 13 1HG THR 13 -7.018 10.959 -6.066 90 HG21 THR 13 3HG2 THR 13 -5.548 12.908 -8.271 91 HG22 THR 13 1HG2 THR 13 -4.674 11.445 -8.731 92 HG23 THR 13 2HG2 THR 13 -3.858 12.710 -7.813 93 H ALA 14 H ALA 14 -3.146 11.819 -4.207 94 HA ALA 14 HA ALA 14 -1.092 13.249 -5.449 95 HB1 ALA 14 1HB ALA 14 -1.931 13.748 -3.193 96 HB2 ALA 14 2HB ALA 14 -0.177 13.584 -3.223 97 HB3 ALA 14 3HB ALA 14 -1.174 12.272 -2.595 98 H ALA 15 H ALA 15 -1.049 10.085 -3.851 99 HA ALA 15 HA ALA 15 1.717 9.594 -4.260 100 HB1 ALA 15 1HB ALA 15 0.375 8.413 -2.579 101 HB2 ALA 15 2HB ALA 15 1.211 7.299 -3.660 102 HB3 ALA 15 3HB ALA 15 -0.513 7.605 -3.872 103 H LEU 16 H LEU 16 -1.184 8.776 -6.101 104 HA LEU 16 HA LEU 16 0.022 7.161 -8.057 105 HB2 LEU 16 2HB LEU 16 -2.488 8.767 -7.925 106 HB3 LEU 16 1HB LEU 16 -1.988 8.116 -9.471 107 HG LEU 16 HG LEU 16 -3.626 6.672 -8.400 108 HD11 LEU 16 1HD1 LEU 16 -2.429 4.573 -8.545 109 HD12 LEU 16 2HD1 LEU 16 -0.888 5.418 -8.412 110 HD13 LEU 16 3HD1 LEU 16 -1.910 5.666 -9.826 111 HD21 LEU 16 3HD2 LEU 16 -1.610 6.377 -6.184 112 HD22 LEU 16 1HD2 LEU 16 -3.115 5.469 -6.346 113 HD23 LEU 16 2HD2 LEU 16 -3.161 7.213 -6.077 114 H ALA 17 H ALA 17 -0.454 10.645 -7.879 115 HA ALA 17 HA ALA 17 0.582 11.174 -10.492 116 HB1 ALA 17 1HB ALA 17 0.222 13.030 -8.141 117 HB2 ALA 17 2HB ALA 17 -0.980 12.698 -9.388 118 HB3 ALA 17 3HB ALA 17 0.524 13.515 -9.808 119 H ALA 18 H ALA 18 1.948 10.728 -7.342 120 HA ALA 18 HA ALA 18 4.458 11.993 -7.915 121 HB1 ALA 18 1HB ALA 18 3.720 10.038 -5.742 122 HB2 ALA 18 2HB ALA 18 3.649 11.793 -5.621 123 HB3 ALA 18 3HB ALA 18 5.203 10.986 -5.815 124 H CYS 19 H CYS 19 3.230 8.686 -7.817 125 HA CYS 19 HA CYS 19 5.722 7.617 -8.864 126 HB2 CYS 19 2HB CYS 19 3.074 6.265 -8.281 127 HB3 CYS 19 1HB CYS 19 4.562 5.438 -8.727 128 HG CYS 19 HG CYS 19 4.877 7.429 -6.056 129 H LYS 20 H LYS 20 4.830 9.451 -10.584 130 HA LYS 20 HA LYS 20 2.905 8.641 -12.459 131 HB2 LYS 20 2HB LYS 20 3.812 10.521 -13.788 132 HB3 LYS 20 1HB LYS 20 3.433 10.961 -12.136 133 HG2 LYS 20 2HG LYS 20 5.793 10.837 -11.552 134 HG3 LYS 20 1HG LYS 20 6.185 10.354 -13.203 135 HD2 LYS 20 2HD LYS 20 5.309 12.487 -14.027 136 HD3 LYS 20 1HD LYS 20 4.921 12.965 -12.375 137 HE2 LYS 20 2HE LYS 20 7.680 12.363 -13.438 138 HE3 LYS 20 1HE LYS 20 7.018 13.969 -13.150 139 HZ1 LYS 20 3HZ LYS 20 7.640 11.893 -11.128 140 HZ2 LYS 20 1HZ LYS 20 6.769 13.303 -10.781 141 HZ3 LYS 20 2HZ LYS 20 8.367 13.408 -11.311 142 H ALA 21 H ALA 21 6.422 8.229 -12.384 143 HA ALA 21 HA ALA 21 6.336 6.236 -14.421 144 HB1 ALA 21 1HB ALA 21 7.608 7.413 -16.130 145 HB2 ALA 21 2HB ALA 21 7.577 8.882 -15.154 146 HB3 ALA 21 3HB ALA 21 6.078 8.231 -15.815 147 H GLU 22 H GLU 22 8.992 6.659 -15.374 148 HA GLU 22 HA GLU 22 10.472 5.159 -13.608 149 HB2 GLU 22 2HB GLU 22 11.476 7.094 -15.698 150 HB3 GLU 22 1HB GLU 22 12.441 5.835 -14.938 151 HG2 GLU 22 2HG GLU 22 10.005 5.405 -16.643 152 HG3 GLU 22 1HG GLU 22 11.677 5.159 -17.144 153 H GLY 23 H GLY 23 11.746 5.509 -11.927 154 HA2 GLY 23 2HA GLY 23 12.958 6.590 -10.301 155 HA3 GLY 23 1HA GLY 23 12.970 8.012 -11.327 156 H SER 24 H SER 24 9.816 7.387 -11.132 157 HA SER 24 HA SER 24 9.504 9.277 -8.921 158 HB2 SER 24 2HB SER 24 7.555 8.454 -11.079 159 HB3 SER 24 1HB SER 24 7.287 9.718 -9.880 160 HG SER 24 HG SER 24 9.613 10.194 -11.074 161 H PHE 25 H PHE 25 8.712 6.023 -9.874 162 HA PHE 25 HA PHE 25 6.641 5.630 -7.977 163 HB2 PHE 25 2HB PHE 25 7.277 3.133 -8.331 164 HB3 PHE 25 1HB PHE 25 6.524 4.039 -9.642 165 HD1 PHE 25 2HD PHE 25 9.834 2.911 -8.365 166 HD2 PHE 25 1HD PHE 25 7.539 4.144 -11.726 167 HE1 PHE 25 2HE PHE 25 11.681 2.270 -9.858 168 HE2 PHE 25 1HE PHE 25 9.375 3.498 -13.224 169 HZ PHE 25 HZ PHE 25 11.451 2.559 -12.290 170 H ASP 26 H ASP 26 6.820 5.618 -5.887 171 HA ASP 26 HA ASP 26 9.002 4.076 -4.703 172 HB2 ASP 26 2HB ASP 26 9.497 6.563 -4.572 173 HB3 ASP 26 1HB ASP 26 8.095 6.698 -3.513 174 H HIS 27 H HIS 27 7.738 2.392 -4.182 175 HA HIS 27 HA HIS 27 5.121 2.376 -3.323 176 HB2 HIS 27 2HB HIS 27 5.397 0.137 -2.917 177 HB3 HIS 27 1HB HIS 27 6.882 0.425 -3.812 178 HD1 HIS 27 1HD HIS 27 9.112 0.409 -2.441 179 HD2 HIS 27 2HD HIS 27 5.716 -0.527 -0.231 180 HE1 HIS 27 1HE HIS 27 9.954 -0.546 -0.276 181 HE2 HIS 27 2HE HIS 27 7.889 -1.012 1.098 182 H LYS 28 H LYS 28 7.975 3.036 -1.499 183 HA LYS 28 HA LYS 28 6.862 2.752 1.090 184 HB2 LYS 28 2HB LYS 28 9.284 2.739 0.468 185 HB3 LYS 28 1HB LYS 28 9.152 4.465 0.157 186 HG2 LYS 28 2HG LYS 28 8.622 4.886 2.487 187 HG3 LYS 28 1HG LYS 28 8.686 3.156 2.829 188 HD2 LYS 28 2HD LYS 28 11.046 3.118 2.171 189 HD3 LYS 28 1HD LYS 28 10.978 4.848 1.837 190 HE2 LYS 28 2HE LYS 28 10.466 3.577 4.520 191 HE3 LYS 28 1HE LYS 28 11.981 4.328 4.031 192 HZ1 LYS 28 3HZ LYS 28 10.750 6.421 3.723 193 HZ2 LYS 28 1HZ LYS 28 10.699 5.864 5.319 194 HZ3 LYS 28 2HZ LYS 28 9.354 5.676 4.319 195 H ALA 29 H ALA 29 7.675 5.624 -0.851 196 HA ALA 29 HA ALA 29 6.413 7.558 0.669 197 HB1 ALA 29 1HB ALA 29 6.271 8.875 -1.373 198 HB2 ALA 29 2HB ALA 29 6.564 7.431 -2.340 199 HB3 ALA 29 3HB ALA 29 7.825 8.048 -1.274 200 H PHE 30 H PHE 30 5.069 5.341 -1.722 201 HA PHE 30 HA PHE 30 2.490 6.361 -1.908 202 HB2 PHE 30 2HB PHE 30 3.317 4.569 -3.358 203 HB3 PHE 30 1HB PHE 30 3.387 3.467 -1.989 204 HD1 PHE 30 1HD PHE 30 1.151 5.279 -4.276 205 HD2 PHE 30 2HD PHE 30 1.425 2.364 -1.187 206 HE1 PHE 30 1HE PHE 30 -1.157 4.563 -4.748 207 HE2 PHE 30 2HE PHE 30 -0.879 1.645 -1.653 208 HZ PHE 30 HZ PHE 30 -2.174 2.745 -3.436 209 H PHE 31 H PHE 31 3.612 3.750 0.309 210 HA PHE 31 HA PHE 31 1.101 3.492 1.564 211 HB2 PHE 31 2HB PHE 31 2.086 1.970 3.061 212 HB3 PHE 31 1HB PHE 31 3.000 1.809 1.591 213 HD1 PHE 31 1HD PHE 31 3.237 3.679 4.812 214 HD2 PHE 31 2HD PHE 31 5.207 1.553 1.704 215 HE1 PHE 31 1HE PHE 31 5.346 3.805 6.068 216 HE2 PHE 31 2HE PHE 31 7.321 1.691 2.944 217 HZ PHE 31 HZ PHE 31 7.393 2.815 5.129 218 H THR 32 H THR 32 3.838 5.503 2.261 219 HA THR 32 HA THR 32 2.813 6.133 4.875 220 HB THR 32 HB THR 32 5.176 5.626 4.428 221 HG1 THR 32 1HG THR 32 4.408 8.111 5.624 222 HG21 THR 32 3HG2 THR 32 6.614 7.470 3.547 223 HG22 THR 32 1HG2 THR 32 5.154 8.333 3.065 224 HG23 THR 32 2HG2 THR 32 5.541 6.773 2.335 225 H LYS 33 H LYS 33 2.738 7.509 1.738 226 HA LYS 33 HA LYS 33 2.103 10.173 2.632 227 HB2 LYS 33 2HB LYS 33 3.208 9.717 0.483 228 HB3 LYS 33 1HB LYS 33 1.775 8.875 -0.074 229 HG2 LYS 33 2HG LYS 33 0.496 10.907 -0.045 230 HG3 LYS 33 1HG LYS 33 1.844 11.788 0.682 231 HD2 LYS 33 2HD LYS 33 1.972 10.420 -2.005 232 HD3 LYS 33 1HD LYS 33 1.598 12.134 -1.787 233 HE2 LYS 33 2HE LYS 33 3.760 12.465 -0.696 234 HE3 LYS 33 1HE LYS 33 4.128 10.755 -0.891 235 HZ1 LYS 33 3HZ LYS 33 4.073 11.041 -3.278 236 HZ2 LYS 33 1HZ LYS 33 5.190 12.106 -2.585 237 HZ3 LYS 33 2HZ LYS 33 3.687 12.678 -3.103 238 H VAL 34 H VAL 34 0.307 7.387 1.344 239 HA VAL 34 HA VAL 34 -2.218 8.707 1.603 240 HB VAL 34 HB VAL 34 -3.159 6.662 0.841 241 HG11 VAL 34 1HG1 VAL 34 -0.550 7.103 -0.569 242 HG12 VAL 34 2HG1 VAL 34 -2.039 8.008 -0.843 243 HG13 VAL 34 3HG1 VAL 34 -1.963 6.290 -1.242 244 HG21 VAL 34 3HG2 VAL 34 -1.950 5.101 2.249 245 HG22 VAL 34 1HG2 VAL 34 -0.489 5.367 1.301 246 HG23 VAL 34 2HG2 VAL 34 -1.892 4.596 0.560 247 H GLY 35 H GLY 35 -0.142 7.486 3.820 248 HA2 GLY 35 2HA GLY 35 -0.349 7.028 6.056 249 HA3 GLY 35 1HA GLY 35 -2.012 7.577 5.934 250 H LEU 36 H LEU 36 -0.623 4.909 4.104 251 HA LEU 36 HA LEU 36 -2.781 3.210 4.939 252 HB2 LEU 36 2HB LEU 36 -1.561 3.272 2.658 253 HB3 LEU 36 1HB LEU 36 -0.357 2.273 3.447 254 HG LEU 36 HG LEU 36 -2.243 0.674 4.016 255 HD11 LEU 36 1HD1 LEU 36 -3.669 2.415 2.017 256 HD12 LEU 36 2HD1 LEU 36 -4.128 2.120 3.694 257 HD13 LEU 36 3HD1 LEU 36 -4.206 0.814 2.514 258 HD21 LEU 36 3HD2 LEU 36 -0.604 0.241 2.265 259 HD22 LEU 36 1HD2 LEU 36 -1.592 1.137 1.109 260 HD23 LEU 36 2HD2 LEU 36 -2.198 -0.361 1.816 261 H ALA 37 H ALA 37 0.598 3.576 5.735 262 HA ALA 37 HA ALA 37 0.944 1.094 7.075 263 HB1 ALA 37 1HB ALA 37 2.821 2.448 6.251 264 HB2 ALA 37 2HB ALA 37 2.982 2.073 7.967 265 HB3 ALA 37 3HB ALA 37 2.461 3.677 7.460 266 H ALA 38 H ALA 38 -0.567 4.057 7.949 267 HA ALA 38 HA ALA 38 -0.547 3.440 10.799 268 HB1 ALA 38 1HB ALA 38 -0.171 5.752 10.114 269 HB2 ALA 38 2HB ALA 38 -1.647 5.606 11.069 270 HB3 ALA 38 3HB ALA 38 -1.743 5.778 9.316 271 H LYS 39 H LYS 39 -2.361 2.585 8.153 272 HA LYS 39 HA LYS 39 -4.997 2.744 9.243 273 HB2 LYS 39 2HB LYS 39 -3.856 1.117 6.967 274 HB3 LYS 39 1HB LYS 39 -5.564 1.155 7.381 275 HG2 LYS 39 2HG LYS 39 -3.963 3.592 6.637 276 HG3 LYS 39 1HG LYS 39 -4.907 2.639 5.491 277 HD2 LYS 39 2HD LYS 39 -6.937 3.095 6.791 278 HD3 LYS 39 1HD LYS 39 -5.990 4.051 7.931 279 HE2 LYS 39 2HE LYS 39 -6.197 4.661 4.988 280 HE3 LYS 39 1HE LYS 39 -7.230 5.388 6.216 281 HZ1 LYS 39 3HZ LYS 39 -5.310 6.777 5.601 282 HZ2 LYS 39 1HZ LYS 39 -4.266 5.584 6.198 283 HZ3 LYS 39 2HZ LYS 39 -5.329 6.378 7.243 284 H SER 40 H SER 40 -6.233 1.137 10.164 285 HA SER 40 HA SER 40 -4.805 -0.743 11.776 286 HB2 SER 40 2HB SER 40 -7.793 -0.425 11.397 287 HB3 SER 40 1HB SER 40 -6.986 -1.254 12.728 288 HG SER 40 HG SER 40 -7.225 0.665 13.608 289 HA PRO 41 HA PRO 41 -4.743 -4.550 9.570 290 HB2 PRO 41 2HB PRO 41 -6.662 -5.574 11.627 291 HB3 PRO 41 1HB PRO 41 -5.192 -6.325 10.992 292 HG2 PRO 41 2HG PRO 41 -5.174 -5.120 13.363 293 HG3 PRO 41 1HG PRO 41 -3.796 -4.971 12.258 294 HD2 PRO 41 2HD PRO 41 -5.866 -2.971 12.974 295 HD3 PRO 41 1HD PRO 41 -4.183 -2.726 12.472 296 H ALA 42 H ALA 42 -8.029 -3.863 10.800 297 HA ALA 42 HA ALA 42 -9.418 -5.356 8.881 298 HB1 ALA 42 1HB ALA 42 -11.385 -4.114 9.575 299 HB2 ALA 42 2HB ALA 42 -10.366 -2.907 10.358 300 HB3 ALA 42 3HB ALA 42 -10.411 -4.558 10.974 301 H ASP 43 H ASP 43 -8.441 -1.964 8.889 302 HA ASP 43 HA ASP 43 -9.781 -1.265 6.484 303 HB2 ASP 43 2HB ASP 43 -7.375 0.049 7.771 304 HB3 ASP 43 1HB ASP 43 -8.396 0.763 6.527 305 H ILE 44 H ILE 44 -6.482 -2.264 7.256 306 HA ILE 44 HA ILE 44 -5.567 -2.128 4.569 307 HB ILE 44 HB ILE 44 -4.468 -2.968 7.153 308 HG12 ILE 44 2HG1 ILE 44 -3.252 -1.708 4.686 309 HG13 ILE 44 1HG1 ILE 44 -3.965 -0.833 6.037 310 HG21 ILE 44 1HG2 ILE 44 -3.420 -4.269 4.647 311 HG22 ILE 44 2HG2 ILE 44 -4.158 -5.086 6.025 312 HG23 ILE 44 3HG2 ILE 44 -2.609 -4.263 6.213 313 HD11 ILE 44 3HD1 ILE 44 -1.530 -2.594 6.156 314 HD12 ILE 44 1HD1 ILE 44 -2.226 -1.694 7.505 315 HD13 ILE 44 2HD1 ILE 44 -1.541 -0.830 6.128 316 H LYS 45 H LYS 45 -7.334 -4.491 6.368 317 HA LYS 45 HA LYS 45 -6.794 -6.772 4.803 318 HB2 LYS 45 2HB LYS 45 -7.905 -6.845 7.007 319 HB3 LYS 45 1HB LYS 45 -9.323 -6.076 6.306 320 HG2 LYS 45 2HG LYS 45 -9.678 -8.451 6.513 321 HG3 LYS 45 1HG LYS 45 -9.610 -7.994 4.812 322 HD2 LYS 45 2HD LYS 45 -7.188 -8.668 4.837 323 HD3 LYS 45 1HD LYS 45 -7.463 -9.335 6.445 324 HE2 LYS 45 2HE LYS 45 -8.894 -10.133 3.923 325 HE3 LYS 45 1HE LYS 45 -7.613 -11.051 4.710 326 HZ1 LYS 45 3HZ LYS 45 -10.275 -10.432 5.876 327 HZ2 LYS 45 1HZ LYS 45 -9.038 -11.286 6.654 328 HZ3 LYS 45 2HZ LYS 45 -9.776 -11.933 5.277 329 H LYS 46 H LYS 46 -9.353 -4.289 4.517 330 HA LYS 46 HA LYS 46 -10.367 -5.478 2.112 331 HB2 LYS 46 2HB LYS 46 -11.637 -3.343 1.839 332 HB3 LYS 46 1HB LYS 46 -11.899 -4.142 3.379 333 HG2 LYS 46 2HG LYS 46 -11.692 -1.985 4.064 334 HG3 LYS 46 1HG LYS 46 -10.015 -2.510 4.191 335 HD2 LYS 46 2HD LYS 46 -9.767 -0.509 3.086 336 HD3 LYS 46 1HD LYS 46 -9.867 -1.630 1.729 337 HE2 LYS 46 2HE LYS 46 -12.246 -0.154 2.836 338 HE3 LYS 46 1HE LYS 46 -11.245 0.474 1.532 339 HZ1 LYS 46 3HZ LYS 46 -13.209 -0.639 0.693 340 HZ2 LYS 46 1HZ LYS 46 -12.767 -2.075 1.463 341 HZ3 LYS 46 2HZ LYS 46 -11.818 -1.463 0.207 342 H VAL 47 H VAL 47 -7.818 -3.238 2.856 343 HA VAL 47 HA VAL 47 -7.320 -2.353 0.219 344 HB VAL 47 HB VAL 47 -5.374 -2.780 2.494 345 HG11 VAL 47 1HG1 VAL 47 -4.207 -2.755 0.355 346 HG12 VAL 47 2HG1 VAL 47 -3.879 -1.280 1.262 347 HG13 VAL 47 3HG1 VAL 47 -5.018 -1.252 -0.083 348 HG21 VAL 47 3HG2 VAL 47 -7.203 -1.157 2.908 349 HG22 VAL 47 1HG2 VAL 47 -6.663 -0.242 1.500 350 HG23 VAL 47 2HG2 VAL 47 -5.602 -0.420 2.898 351 H PHE 48 H PHE 48 -6.357 -5.195 2.035 352 HA PHE 48 HA PHE 48 -4.657 -6.386 0.184 353 HB2 PHE 48 2HB PHE 48 -6.464 -7.540 2.287 354 HB3 PHE 48 1HB PHE 48 -5.456 -8.562 1.274 355 HD1 PHE 48 2HD PHE 48 -3.161 -6.356 1.246 356 HD2 PHE 48 1HD PHE 48 -5.370 -8.351 4.287 357 HE1 PHE 48 2HE PHE 48 -1.287 -6.058 2.802 358 HE2 PHE 48 1HE PHE 48 -3.496 -8.053 5.846 359 HZ PHE 48 HZ PHE 48 -1.451 -6.908 5.105 360 H GLU 49 H GLU 49 -8.170 -6.401 0.384 361 HA GLU 49 HA GLU 49 -8.399 -8.268 -1.794 362 HB2 GLU 49 2HB GLU 49 -10.720 -8.129 -1.529 363 HB3 GLU 49 1HB GLU 49 -10.108 -7.866 0.098 364 HG2 GLU 49 2HG GLU 49 -10.400 -5.462 -0.178 365 HG3 GLU 49 1HG GLU 49 -11.040 -5.732 -1.798 366 H ILE 50 H ILE 50 -7.861 -4.886 -1.539 367 HA ILE 50 HA ILE 50 -8.981 -4.134 -4.042 368 HB ILE 50 HB ILE 50 -6.665 -2.764 -2.672 369 HG12 ILE 50 2HG1 ILE 50 -9.628 -2.224 -2.395 370 HG13 ILE 50 1HG1 ILE 50 -8.640 -3.022 -1.175 371 HG21 ILE 50 1HG2 ILE 50 -7.177 -2.189 -5.065 372 HG22 ILE 50 2HG2 ILE 50 -7.297 -0.842 -3.937 373 HG23 ILE 50 3HG2 ILE 50 -8.759 -1.634 -4.522 374 HD11 ILE 50 3HD1 ILE 50 -8.897 -0.755 -0.527 375 HD12 ILE 50 1HD1 ILE 50 -8.432 -0.184 -2.131 376 HD13 ILE 50 2HD1 ILE 50 -7.236 -0.959 -1.094 377 H ILE 51 H ILE 51 -5.620 -5.094 -3.124 378 HA ILE 51 HA ILE 51 -4.619 -4.870 -5.773 379 HB ILE 51 HB ILE 51 -2.936 -6.744 -5.032 380 HG12 ILE 51 2HG1 ILE 51 -4.528 -7.063 -2.901 381 HG13 ILE 51 1HG1 ILE 51 -2.789 -7.325 -2.801 382 HG21 ILE 51 1HG2 ILE 51 -2.399 -4.400 -5.390 383 HG22 ILE 51 2HG2 ILE 51 -1.506 -5.085 -4.030 384 HG23 ILE 51 3HG2 ILE 51 -2.892 -4.028 -3.737 385 HD11 ILE 51 3HD1 ILE 51 -4.415 -5.011 -1.804 386 HD12 ILE 51 1HD1 ILE 51 -2.679 -4.856 -2.094 387 HD13 ILE 51 2HD1 ILE 51 -3.271 -6.041 -0.939 388 H ASP 52 H ASP 52 -6.267 -7.373 -4.010 389 HA ASP 52 HA ASP 52 -6.214 -9.219 -6.209 390 HB2 ASP 52 2HB ASP 52 -6.413 -9.891 -3.758 391 HB3 ASP 52 1HB ASP 52 -8.053 -9.270 -3.807 392 H GLN 53 H GLN 53 -7.011 -7.302 -7.588 393 HA GLN 53 HA GLN 53 -9.487 -6.064 -7.246 394 HB2 GLN 53 2HB GLN 53 -7.407 -5.684 -8.885 395 HB3 GLN 53 1HB GLN 53 -8.464 -6.525 -10.005 396 HG2 GLN 53 2HG GLN 53 -9.405 -4.135 -8.469 397 HG3 GLN 53 1HG GLN 53 -8.493 -3.968 -9.965 398 HE21 GLN 53 1HE2 GLN 53 -11.522 -4.815 -8.538 399 HE22 GLN 53 2HE2 GLN 53 -12.401 -4.978 -10.018 400 H ASP 54 H ASP 54 -8.610 -8.998 -8.910 401 HA ASP 54 HA ASP 54 -11.200 -9.478 -10.052 402 HB2 ASP 54 2HB ASP 54 -9.421 -10.428 -11.248 403 HB3 ASP 54 1HB ASP 54 -8.656 -11.061 -9.798 404 H LYS 55 H LYS 55 -9.847 -9.927 -6.980 405 HA LYS 55 HA LYS 55 -10.428 -10.968 -5.083 406 HB2 LYS 55 2HB LYS 55 -12.558 -9.808 -5.394 407 HB3 LYS 55 1HB LYS 55 -13.161 -11.157 -6.346 408 HG2 LYS 55 2HG LYS 55 -13.978 -11.129 -4.004 409 HG3 LYS 55 1HG LYS 55 -13.128 -12.608 -4.448 410 HD2 LYS 55 2HD LYS 55 -11.074 -11.679 -3.372 411 HD3 LYS 55 1HD LYS 55 -12.039 -10.302 -2.832 412 HE2 LYS 55 2HE LYS 55 -11.806 -11.986 -1.070 413 HE3 LYS 55 1HE LYS 55 -13.486 -11.782 -1.558 414 HZ1 LYS 55 3HZ LYS 55 -11.663 -14.018 -2.285 415 HZ2 LYS 55 1HZ LYS 55 -13.181 -13.776 -2.996 416 HZ3 LYS 55 2HZ LYS 55 -13.063 -14.093 -1.343 417 H SER 56 H SER 56 -8.953 -12.538 -6.078 418 HA SER 56 HA SER 56 -10.229 -15.147 -6.563 419 HB2 SER 56 2HB SER 56 -7.466 -15.198 -7.214 420 HB3 SER 56 1HB SER 56 -8.836 -15.266 -8.324 421 HG SER 56 HG SER 56 -8.659 -13.184 -8.753 422 H ASP 57 H ASP 57 -8.888 -13.369 -4.191 423 HA ASP 57 HA ASP 57 -7.980 -13.767 -2.162 424 HB2 ASP 57 2HB ASP 57 -8.454 -16.639 -2.929 425 HB3 ASP 57 1HB ASP 57 -7.633 -16.208 -1.430 426 H PHE 58 H PHE 58 -6.636 -14.436 -5.024 427 HA PHE 58 HA PHE 58 -3.955 -14.161 -3.893 428 HB2 PHE 58 2HB PHE 58 -4.737 -15.968 -6.195 429 HB3 PHE 58 1HB PHE 58 -3.077 -15.513 -5.830 430 HD1 PHE 58 1HD PHE 58 -2.030 -16.274 -3.720 431 HD2 PHE 58 2HD PHE 58 -5.853 -17.663 -4.972 432 HE1 PHE 58 1HE PHE 58 -1.850 -18.165 -2.156 433 HE2 PHE 58 2HE PHE 58 -5.682 -19.555 -3.408 434 HZ PHE 58 HZ PHE 58 -3.679 -19.807 -1.998 435 H VAL 59 H VAL 59 -2.689 -12.683 -5.003 436 HA VAL 59 HA VAL 59 -4.239 -11.005 -6.847 437 HB VAL 59 HB VAL 59 -1.821 -10.292 -5.207 438 HG11 VAL 59 1HG1 VAL 59 -2.117 -8.082 -5.877 439 HG12 VAL 59 2HG1 VAL 59 -3.697 -8.419 -6.576 440 HG13 VAL 59 3HG1 VAL 59 -2.237 -9.037 -7.352 441 HG21 VAL 59 3HG2 VAL 59 -4.708 -9.616 -4.730 442 HG22 VAL 59 1HG2 VAL 59 -3.338 -9.068 -3.767 443 HG23 VAL 59 2HG2 VAL 59 -3.761 -10.781 -3.804 444 H GLU 60 H GLU 60 -3.744 -11.276 -8.918 445 HA GLU 60 HA GLU 60 -1.120 -12.211 -9.695 446 HB2 GLU 60 2HB GLU 60 -3.432 -11.478 -11.475 447 HB3 GLU 60 1HB GLU 60 -2.015 -12.422 -11.912 448 HG2 GLU 60 2HG GLU 60 -4.077 -13.228 -9.897 449 HG3 GLU 60 1HG GLU 60 -4.017 -13.791 -11.563 450 H GLU 61 H GLU 61 -0.297 -11.125 -11.828 451 HA GLU 61 HA GLU 61 0.543 -8.486 -11.238 452 HB2 GLU 61 2HB GLU 61 1.940 -9.977 -12.494 453 HB3 GLU 61 1HB GLU 61 0.694 -10.217 -13.703 454 HG2 GLU 61 2HG GLU 61 1.799 -7.486 -13.288 455 HG3 GLU 61 1HG GLU 61 2.750 -8.686 -14.154 456 H ASP 62 H ASP 62 -1.807 -9.777 -13.548 457 HA ASP 62 HA ASP 62 -2.412 -7.257 -14.703 458 HB2 ASP 62 2HB ASP 62 -4.189 -8.404 -15.858 459 HB3 ASP 62 1HB ASP 62 -2.769 -9.448 -15.820 460 H GLU 63 H GLU 63 -3.524 -8.938 -11.891 461 HA GLU 63 HA GLU 63 -5.823 -7.332 -11.410 462 HB2 GLU 63 2HB GLU 63 -4.082 -8.994 -9.588 463 HB3 GLU 63 1HB GLU 63 -5.480 -8.097 -9.006 464 HG2 GLU 63 2HG GLU 63 -6.888 -9.347 -10.608 465 HG3 GLU 63 1HG GLU 63 -5.476 -10.316 -11.037 466 H LEU 64 H LEU 64 -2.426 -7.117 -10.557 467 HA LEU 64 HA LEU 64 -2.563 -4.932 -8.806 468 HB2 LEU 64 2HB LEU 64 -0.579 -6.577 -9.876 469 HB3 LEU 64 1HB LEU 64 -0.153 -4.964 -10.412 470 HG LEU 64 HG LEU 64 0.983 -5.534 -8.339 471 HD11 LEU 64 1HD1 LEU 64 -1.130 -3.445 -7.909 472 HD12 LEU 64 2HD1 LEU 64 0.410 -3.202 -8.733 473 HD13 LEU 64 3HD1 LEU 64 0.381 -3.601 -7.015 474 HD21 LEU 64 3HD2 LEU 64 -1.790 -5.845 -7.218 475 HD22 LEU 64 1HD2 LEU 64 -0.308 -5.806 -6.263 476 HD23 LEU 64 2HD2 LEU 64 -0.577 -7.110 -7.418 477 H LYS 65 H LYS 65 -2.586 -5.181 -12.261 478 HA LYS 65 HA LYS 65 -1.812 -2.589 -12.944 479 HB2 LYS 65 2HB LYS 65 -2.947 -4.870 -14.259 480 HB3 LYS 65 1HB LYS 65 -3.775 -3.418 -14.798 481 HG2 LYS 65 2HG LYS 65 -1.866 -4.047 -16.220 482 HG3 LYS 65 1HG LYS 65 -1.714 -2.435 -15.519 483 HD2 LYS 65 2HD LYS 65 -0.085 -3.128 -13.994 484 HD3 LYS 65 1HD LYS 65 -0.468 -4.840 -14.220 485 HE2 LYS 65 2HE LYS 65 0.382 -4.725 -16.503 486 HE3 LYS 65 1HE LYS 65 0.764 -3.016 -16.287 487 HZ1 LYS 65 3HZ LYS 65 2.341 -3.648 -14.556 488 HZ2 LYS 65 1HZ LYS 65 2.715 -4.407 -16.024 489 HZ3 LYS 65 2HZ LYS 65 1.965 -5.284 -14.788 490 H LEU 66 H LEU 66 -5.141 -3.857 -12.556 491 HA LEU 66 HA LEU 66 -6.051 -1.076 -12.609 492 HB2 LEU 66 2HB LEU 66 -7.610 -3.623 -12.991 493 HB3 LEU 66 1HB LEU 66 -8.325 -2.022 -12.954 494 HG LEU 66 HG LEU 66 -8.144 -2.288 -15.206 495 HD11 LEU 66 1HD1 LEU 66 -6.117 -1.160 -16.062 496 HD12 LEU 66 2HD1 LEU 66 -5.404 -1.279 -14.449 497 HD13 LEU 66 3HD1 LEU 66 -6.861 -0.317 -14.702 498 HD21 LEU 66 3HD2 LEU 66 -7.263 -4.507 -15.214 499 HD22 LEU 66 1HD2 LEU 66 -5.671 -3.931 -14.726 500 HD23 LEU 66 2HD2 LEU 66 -6.303 -3.526 -16.320 501 H PHE 67 H PHE 67 -5.074 -3.071 -10.317 502 HA PHE 67 HA PHE 67 -7.137 -3.165 -8.429 503 HB2 PHE 67 2HB PHE 67 -5.576 -4.109 -7.128 504 HB3 PHE 67 1HB PHE 67 -4.479 -3.935 -8.485 505 HD1 PHE 67 2HD PHE 67 -5.418 -2.655 -5.192 506 HD2 PHE 67 1HD PHE 67 -2.754 -2.226 -8.475 507 HE1 PHE 67 2HE PHE 67 -3.947 -1.263 -3.805 508 HE2 PHE 67 1HE PHE 67 -1.269 -0.840 -7.089 509 HZ PHE 67 HZ PHE 67 -1.864 -0.353 -4.752 510 H LEU 68 H LEU 68 -5.003 -0.598 -9.420 511 HA LEU 68 HA LEU 68 -5.485 1.114 -7.202 512 HB2 LEU 68 2HB LEU 68 -4.614 2.042 -9.923 513 HB3 LEU 68 1HB LEU 68 -4.240 2.749 -8.362 514 HG LEU 68 HG LEU 68 -3.169 0.202 -8.195 515 HD11 LEU 68 1HD1 LEU 68 -2.495 1.350 -10.896 516 HD12 LEU 68 2HD1 LEU 68 -3.559 -0.033 -10.640 517 HD13 LEU 68 3HD1 LEU 68 -1.857 -0.128 -10.176 518 HD21 LEU 68 3HD2 LEU 68 -1.038 1.344 -8.235 519 HD22 LEU 68 1HD2 LEU 68 -2.219 2.302 -7.343 520 HD23 LEU 68 2HD2 LEU 68 -1.780 2.754 -8.990 521 H GLN 69 H GLN 69 -6.973 0.656 -10.332 522 HA GLN 69 HA GLN 69 -8.619 2.983 -10.194 523 HB2 GLN 69 2HB GLN 69 -9.061 0.452 -11.791 524 HB3 GLN 69 1HB GLN 69 -9.835 2.006 -12.068 525 HG2 GLN 69 2HG GLN 69 -7.607 2.973 -12.557 526 HG3 GLN 69 1HG GLN 69 -6.914 1.359 -12.402 527 HE21 GLN 69 1HE2 GLN 69 -6.928 3.112 -14.706 528 HE22 GLN 69 2HE2 GLN 69 -7.737 2.252 -15.967 529 H ASN 70 H ASN 70 -8.669 -0.131 -8.801 530 HA ASN 70 HA ASN 70 -11.475 -0.064 -8.068 531 HB2 ASN 70 2HB ASN 70 -10.358 -2.223 -8.399 532 HB3 ASN 70 1HB ASN 70 -9.205 -1.840 -7.127 533 HD21 ASN 70 1HD2 ASN 70 -12.676 -1.201 -7.050 534 HD22 ASN 70 2HD2 ASN 70 -13.020 -2.289 -5.749 535 H PHE 71 H PHE 71 -8.352 0.660 -6.678 536 HA PHE 71 HA PHE 71 -9.172 1.256 -4.043 537 HB2 PHE 71 2HB PHE 71 -6.781 0.983 -5.139 538 HB3 PHE 71 1HB PHE 71 -6.918 2.718 -5.384 539 HD1 PHE 71 2HD PHE 71 -7.856 3.933 -3.098 540 HD2 PHE 71 1HD PHE 71 -5.558 0.360 -3.333 541 HE1 PHE 71 2HE PHE 71 -7.047 4.303 -0.804 542 HE2 PHE 71 1HE PHE 71 -4.747 0.725 -1.041 543 HZ PHE 71 HZ PHE 71 -5.492 2.698 0.228 544 H SER 72 H SER 72 -8.600 3.312 -6.881 545 HA SER 72 HA SER 72 -10.702 5.125 -6.032 546 HB2 SER 72 2HB SER 72 -7.859 6.078 -6.477 547 HB3 SER 72 1HB SER 72 -9.260 7.119 -6.227 548 HG SER 72 HG SER 72 -9.132 5.285 -4.269 549 H ALA 73 H ALA 73 -11.675 6.132 -7.731 550 HA ALA 73 HA ALA 73 -11.483 4.796 -10.201 551 HB1 ALA 73 1HB ALA 73 -13.576 5.690 -9.306 552 HB2 ALA 73 2HB ALA 73 -13.256 6.279 -10.937 553 HB3 ALA 73 3HB ALA 73 -12.975 7.329 -9.549 554 H GLY 74 H GLY 74 -10.044 7.764 -9.066 555 HA2 GLY 74 2HA GLY 74 -9.330 8.516 -11.813 556 HA3 GLY 74 1HA GLY 74 -9.190 9.545 -10.396 557 H ALA 75 H ALA 75 -8.100 6.345 -9.962 558 HA ALA 75 HA ALA 75 -5.383 7.287 -9.660 559 HB1 ALA 75 1HB ALA 75 -6.319 5.796 -7.987 560 HB2 ALA 75 2HB ALA 75 -4.937 5.043 -8.782 561 HB3 ALA 75 3HB ALA 75 -6.575 4.555 -9.212 562 H ARG 76 H ARG 76 -3.590 6.454 -10.718 563 HA ARG 76 HA ARG 76 -3.990 5.763 -13.474 564 HB2 ARG 76 2HB ARG 76 -1.525 6.192 -11.801 565 HB3 ARG 76 1HB ARG 76 -1.466 5.790 -13.506 566 HG2 ARG 76 2HG ARG 76 -2.665 7.861 -14.028 567 HG3 ARG 76 1HG ARG 76 -2.684 8.268 -12.307 568 HD2 ARG 76 2HD ARG 76 -0.829 9.323 -13.672 569 HD3 ARG 76 1HD ARG 76 -0.323 8.445 -12.227 570 HE ARG 76 HE ARG 76 -0.074 7.473 -15.002 571 HH11 ARG 76 1HH1 ARG 76 0.930 7.411 -11.644 572 HH12 ARG 76 2HH1 ARG 76 2.148 6.199 -11.896 573 HH21 ARG 76 1HH2 ARG 76 1.502 5.848 -15.325 574 HH22 ARG 76 2HH2 ARG 76 2.448 5.270 -13.983 575 H ALA 77 H ALA 77 -3.340 3.862 -14.497 576 HA ALA 77 HA ALA 77 -2.959 1.532 -12.794 577 HB1 ALA 77 1HB ALA 77 -4.504 1.316 -14.658 578 HB2 ALA 77 2HB ALA 77 -3.118 0.241 -14.879 579 HB3 ALA 77 3HB ALA 77 -3.223 1.750 -15.791 580 H LEU 78 H LEU 78 -1.003 0.918 -12.215 581 HA LEU 78 HA LEU 78 1.382 2.028 -13.237 582 HB2 LEU 78 2HB LEU 78 0.688 -0.173 -11.356 583 HB3 LEU 78 1HB LEU 78 2.320 -0.125 -11.986 584 HG LEU 78 HG LEU 78 2.732 2.013 -10.984 585 HD11 LEU 78 1HD1 LEU 78 0.588 3.079 -11.367 586 HD12 LEU 78 2HD1 LEU 78 1.034 3.191 -9.664 587 HD13 LEU 78 3HD1 LEU 78 -0.173 2.016 -10.185 588 HD21 LEU 78 3HD2 LEU 78 2.987 0.098 -9.528 589 HD22 LEU 78 1HD2 LEU 78 1.285 0.186 -9.075 590 HD23 LEU 78 2HD2 LEU 78 2.391 1.481 -8.610 591 H SER 79 H SER 79 2.815 1.322 -14.758 592 HA SER 79 HA SER 79 2.283 -1.268 -16.024 593 HB2 SER 79 2HB SER 79 2.857 1.281 -17.545 594 HB3 SER 79 1HB SER 79 2.527 -0.305 -18.240 595 HG SER 79 HG SER 79 0.633 0.725 -16.475 596 H ASP 80 H ASP 80 4.010 -2.380 -16.754 597 HA ASP 80 HA ASP 80 6.132 -3.125 -16.901 598 HB2 ASP 80 2HB ASP 80 6.159 -1.319 -18.642 599 HB3 ASP 80 1HB ASP 80 6.890 -0.256 -17.446 600 H ALA 81 H ALA 81 7.716 -0.244 -15.929 601 HA ALA 81 HA ALA 81 9.149 -1.811 -14.067 602 HB1 ALA 81 1HB ALA 81 10.199 -0.044 -15.396 603 HB2 ALA 81 2HB ALA 81 10.475 0.184 -13.668 604 HB3 ALA 81 3HB ALA 81 9.275 1.167 -14.507 605 H GLU 82 H GLU 82 6.706 0.694 -13.719 606 HA GLU 82 HA GLU 82 7.114 1.088 -10.953 607 HB2 GLU 82 2HB GLU 82 4.873 2.240 -11.084 608 HB3 GLU 82 1HB GLU 82 6.121 2.872 -12.139 609 HG2 GLU 82 2HG GLU 82 4.983 1.178 -13.838 610 HG3 GLU 82 1HG GLU 82 3.602 1.480 -12.791 611 H THR 83 H THR 83 4.994 -1.026 -12.839 612 HA THR 83 HA THR 83 3.613 -2.088 -10.599 613 HB THR 83 HB THR 83 4.249 -3.731 -13.039 614 HG1 THR 83 1HG THR 83 2.105 -1.865 -12.856 615 HG21 THR 83 3HG2 THR 83 3.071 -4.816 -11.186 616 HG22 THR 83 1HG2 THR 83 2.022 -4.662 -12.598 617 HG23 THR 83 2HG2 THR 83 1.831 -3.560 -11.235 618 H LYS 84 H LYS 84 6.501 -3.068 -12.389 619 HA LYS 84 HA LYS 84 7.018 -5.479 -11.136 620 HB2 LYS 84 2HB LYS 84 8.201 -4.973 -13.100 621 HB3 LYS 84 1HB LYS 84 8.800 -3.452 -12.456 622 HG2 LYS 84 2HG LYS 84 10.281 -4.617 -10.960 623 HG3 LYS 84 1HG LYS 84 9.620 -6.175 -11.468 624 HD2 LYS 84 2HD LYS 84 10.451 -5.829 -13.719 625 HD3 LYS 84 1HD LYS 84 11.024 -4.217 -13.287 626 HE2 LYS 84 2HE LYS 84 11.993 -6.789 -12.049 627 HE3 LYS 84 1HE LYS 84 12.826 -5.909 -13.330 628 HZ1 LYS 84 3HZ LYS 84 13.052 -4.023 -11.848 629 HZ2 LYS 84 1HZ LYS 84 13.737 -5.401 -11.149 630 HZ3 LYS 84 2HZ LYS 84 12.232 -4.846 -10.621 631 H VAL 85 H VAL 85 8.549 -2.342 -10.334 632 HA VAL 85 HA VAL 85 9.993 -3.450 -8.162 633 HB VAL 85 HB VAL 85 10.791 -1.474 -9.332 634 HG11 VAL 85 1HG1 VAL 85 8.420 -0.073 -8.118 635 HG12 VAL 85 2HG1 VAL 85 8.684 -0.409 -9.829 636 HG13 VAL 85 3HG1 VAL 85 9.744 0.713 -8.976 637 HG21 VAL 85 3HG2 VAL 85 11.421 -0.109 -7.396 638 HG22 VAL 85 1HG2 VAL 85 11.567 -1.834 -7.059 639 HG23 VAL 85 2HG2 VAL 85 10.194 -0.926 -6.429 640 H PHE 86 H PHE 86 6.919 -1.693 -8.346 641 HA PHE 86 HA PHE 86 6.616 -1.468 -5.520 642 HB2 PHE 86 2HB PHE 86 5.464 0.101 -6.877 643 HB3 PHE 86 1HB PHE 86 4.725 -1.154 -7.848 644 HD1 PHE 86 1HD PHE 86 2.759 -2.360 -7.019 645 HD2 PHE 86 2HD PHE 86 4.593 0.726 -4.734 646 HE1 PHE 86 1HE PHE 86 0.758 -2.229 -5.591 647 HE2 PHE 86 2HE PHE 86 2.599 0.855 -3.301 648 HZ PHE 86 HZ PHE 86 0.677 -0.625 -3.729 649 H LEU 87 H LEU 87 5.742 -3.854 -7.913 650 HA LEU 87 HA LEU 87 4.047 -5.464 -6.302 651 HB2 LEU 87 2HB LEU 87 4.353 -5.489 -8.839 652 HB3 LEU 87 1HB LEU 87 5.829 -6.383 -8.559 653 HG LEU 87 HG LEU 87 4.337 -8.095 -7.351 654 HD11 LEU 87 1HD1 LEU 87 2.035 -8.140 -7.884 655 HD12 LEU 87 2HD1 LEU 87 2.212 -6.829 -9.048 656 HD13 LEU 87 3HD1 LEU 87 2.366 -6.498 -7.324 657 HD21 LEU 87 3HD2 LEU 87 5.430 -8.483 -9.494 658 HD22 LEU 87 1HD2 LEU 87 4.102 -7.670 -10.324 659 HD23 LEU 87 2HD2 LEU 87 3.812 -9.187 -9.473 660 H LYS 88 H LYS 88 7.480 -5.560 -7.104 661 HA LYS 88 HA LYS 88 8.091 -7.887 -5.596 662 HB2 LYS 88 2HB LYS 88 9.357 -6.873 -7.553 663 HB3 LYS 88 1HB LYS 88 10.035 -5.732 -6.404 664 HG2 LYS 88 2HG LYS 88 11.617 -7.469 -6.701 665 HG3 LYS 88 1HG LYS 88 10.888 -7.705 -5.111 666 HD2 LYS 88 2HD LYS 88 9.449 -9.433 -5.974 667 HD3 LYS 88 1HD LYS 88 10.014 -9.128 -7.618 668 HE2 LYS 88 2HE LYS 88 11.714 -10.116 -5.331 669 HE3 LYS 88 1HE LYS 88 11.059 -11.121 -6.622 670 HZ1 LYS 88 3HZ LYS 88 12.329 -9.767 -8.213 671 HZ2 LYS 88 1HZ LYS 88 13.324 -10.564 -7.104 672 HZ3 LYS 88 2HZ LYS 88 13.021 -8.913 -6.927 673 H ALA 89 H ALA 89 7.645 -4.600 -4.758 674 HA ALA 89 HA ALA 89 9.200 -4.340 -2.449 675 HB1 ALA 89 1HB ALA 89 7.884 -2.517 -3.519 676 HB2 ALA 89 2HB ALA 89 7.661 -2.621 -1.772 677 HB3 ALA 89 3HB ALA 89 6.418 -3.245 -2.856 678 H GLY 90 H GLY 90 6.304 -6.091 -3.108 679 HA2 GLY 90 2HA GLY 90 6.032 -6.787 -0.251 680 HA3 GLY 90 1HA GLY 90 4.733 -6.889 -1.437 681 H ASP 91 H ASP 91 5.703 -8.191 -3.490 682 HA ASP 91 HA ASP 91 5.918 -10.882 -2.635 683 HB2 ASP 91 2HB ASP 91 4.953 -10.247 -4.803 684 HB3 ASP 91 1HB ASP 91 6.532 -9.675 -5.337 685 H SER 92 H SER 92 7.662 -11.443 -1.471 686 HA SER 92 HA SER 92 10.243 -10.230 -2.145 687 HB2 SER 92 2HB SER 92 9.505 -11.827 0.317 688 HB3 SER 92 1HB SER 92 10.919 -10.795 0.095 689 HG SER 92 HG SER 92 8.299 -9.754 -0.147 690 H ASP 93 H ASP 93 8.519 -13.118 -2.452 691 HA ASP 93 HA ASP 93 10.971 -14.724 -2.577 692 HB2 ASP 93 2HB ASP 93 9.592 -16.679 -2.328 693 HB3 ASP 93 1HB ASP 93 9.139 -15.513 -1.095 694 H GLY 94 H GLY 94 9.003 -13.054 -4.652 695 HA2 GLY 94 2HA GLY 94 9.419 -12.819 -6.919 696 HA3 GLY 94 1HA GLY 94 10.451 -14.234 -6.844 697 H ASP 95 H ASP 95 6.960 -13.688 -6.256 698 HA ASP 95 HA ASP 95 6.341 -16.071 -7.827 699 HB2 ASP 95 2HB ASP 95 4.477 -14.113 -6.464 700 HB3 ASP 95 1HB ASP 95 3.992 -15.614 -7.237 701 H GLY 96 H GLY 96 6.580 -12.685 -8.209 702 HA2 GLY 96 2HA GLY 96 6.265 -11.371 -10.102 703 HA3 GLY 96 1HA GLY 96 5.660 -12.791 -10.951 704 H LYS 97 H LYS 97 4.428 -11.909 -7.868 705 HA LYS 97 HA LYS 97 2.081 -10.523 -8.809 706 HB2 LYS 97 2HB LYS 97 0.482 -12.216 -8.159 707 HB3 LYS 97 1HB LYS 97 1.584 -12.926 -9.330 708 HG2 LYS 97 2HG LYS 97 2.760 -14.101 -7.625 709 HG3 LYS 97 1HG LYS 97 1.878 -13.253 -6.351 710 HD2 LYS 97 2HD LYS 97 0.951 -15.458 -6.599 711 HD3 LYS 97 1HD LYS 97 -0.218 -14.292 -7.221 712 HE2 LYS 97 2HE LYS 97 0.635 -14.746 -9.510 713 HE3 LYS 97 1HE LYS 97 1.666 -16.006 -8.834 714 HZ1 LYS 97 3HZ LYS 97 -0.320 -16.992 -9.686 715 HZ2 LYS 97 1HZ LYS 97 -1.301 -15.925 -8.810 716 HZ3 LYS 97 2HZ LYS 97 -0.373 -17.089 -8.003 717 H ILE 98 H ILE 98 0.521 -10.389 -6.794 718 HA ILE 98 HA ILE 98 2.262 -9.884 -4.497 719 HB ILE 98 HB ILE 98 -0.323 -8.658 -5.371 720 HG12 ILE 98 2HG1 ILE 98 1.764 -7.571 -5.976 721 HG13 ILE 98 1HG1 ILE 98 0.868 -6.578 -4.832 722 HG21 ILE 98 1HG2 ILE 98 -0.811 -9.319 -3.096 723 HG22 ILE 98 2HG2 ILE 98 -0.565 -7.573 -3.170 724 HG23 ILE 98 3HG2 ILE 98 0.709 -8.617 -2.540 725 HD11 ILE 98 3HD1 ILE 98 3.183 -6.528 -4.257 726 HD12 ILE 98 1HD1 ILE 98 3.276 -8.288 -4.259 727 HD13 ILE 98 2HD1 ILE 98 2.326 -7.457 -3.029 728 H GLY 99 H GLY 99 2.347 -11.601 -3.180 729 HA2 GLY 99 2HA GLY 99 0.023 -13.072 -2.414 730 HA3 GLY 99 1HA GLY 99 1.530 -12.953 -1.494 731 H VAL 100 H VAL 100 -1.470 -12.544 -0.844 732 HA VAL 100 HA VAL 100 -1.940 -9.826 -0.443 733 HB VAL 100 HB VAL 100 -3.085 -12.296 0.780 734 HG11 VAL 100 1HG1 VAL 100 -4.834 -10.854 1.818 735 HG12 VAL 100 2HG1 VAL 100 -3.787 -9.469 1.502 736 HG13 VAL 100 3HG1 VAL 100 -3.250 -10.752 2.583 737 HG21 VAL 100 3HG2 VAL 100 -5.084 -11.558 -0.456 738 HG22 VAL 100 1HG2 VAL 100 -3.685 -11.782 -1.509 739 HG23 VAL 100 2HG2 VAL 100 -4.181 -10.157 -1.036 740 H ASP 101 H ASP 101 -0.521 -12.226 1.747 741 HA ASP 101 HA ASP 101 -0.196 -10.378 3.896 742 HB2 ASP 101 2HB ASP 101 -0.273 -12.871 4.154 743 HB3 ASP 101 1HB ASP 101 1.332 -12.943 3.431 744 H GLU 102 H GLU 102 1.692 -11.316 1.121 745 HA GLU 102 HA GLU 102 4.146 -10.137 1.872 746 HB2 GLU 102 2HB GLU 102 3.007 -10.610 -0.894 747 HB3 GLU 102 1HB GLU 102 4.667 -10.140 -0.561 748 HG2 GLU 102 2HG GLU 102 4.792 -12.263 0.859 749 HG3 GLU 102 1HG GLU 102 3.302 -12.736 0.045 750 H PHE 103 H PHE 103 1.242 -8.870 0.326 751 HA PHE 103 HA PHE 103 2.279 -6.334 -0.360 752 HB2 PHE 103 2HB PHE 103 0.097 -7.280 -1.177 753 HB3 PHE 103 1HB PHE 103 -0.580 -6.954 0.414 754 HD1 PHE 103 1HD PHE 103 0.840 -5.396 -2.609 755 HD2 PHE 103 2HD PHE 103 -1.272 -4.771 1.030 756 HE1 PHE 103 1HE PHE 103 0.306 -3.103 -3.318 757 HE2 PHE 103 2HE PHE 103 -1.814 -2.475 0.325 758 HZ PHE 103 HZ PHE 103 -1.023 -1.640 -1.851 759 H GLY 104 H GLY 104 0.640 -7.534 2.547 760 HA2 GLY 104 2HA GLY 104 0.573 -5.179 4.038 761 HA3 GLY 104 1HA GLY 104 0.753 -6.789 4.725 762 H ALA 105 H ALA 105 3.215 -7.424 3.489 763 HA ALA 105 HA ALA 105 5.029 -6.353 5.341 764 HB1 ALA 105 1HB ALA 105 5.606 -7.776 2.745 765 HB2 ALA 105 2HB ALA 105 5.319 -8.545 4.306 766 HB3 ALA 105 3HB ALA 105 6.743 -7.534 4.070 767 H MET 106 H MET 106 4.138 -5.294 2.103 768 HA MET 106 HA MET 106 6.450 -3.560 1.894 769 HB2 MET 106 2HB MET 106 5.868 -3.168 -0.290 770 HB3 MET 106 1HB MET 106 5.090 -4.724 -0.052 771 HG2 MET 106 2HG MET 106 2.963 -3.749 0.137 772 HG3 MET 106 1HG MET 106 3.632 -2.136 0.340 773 HE1 MET 106 3HE MET 106 4.527 -4.964 -2.300 774 HE2 MET 106 1HE MET 106 3.453 -4.479 -3.614 775 HE3 MET 106 2HE MET 106 2.778 -5.022 -2.079 776 H ILE 107 H ILE 107 3.216 -3.355 3.066 777 HA ILE 107 HA ILE 107 2.993 -0.492 2.921 778 HB ILE 107 HB ILE 107 1.493 -2.351 4.783 779 HG12 ILE 107 2HG1 ILE 107 0.666 -1.454 2.016 780 HG13 ILE 107 1HG1 ILE 107 1.304 -3.052 2.393 781 HG21 ILE 107 1HG2 ILE 107 -0.229 -0.585 4.676 782 HG22 ILE 107 2HG2 ILE 107 0.883 0.401 3.729 783 HG23 ILE 107 3HG2 ILE 107 1.287 -0.035 5.387 784 HD11 ILE 107 3HD1 ILE 107 -1.119 -3.080 2.237 785 HD12 ILE 107 1HD1 ILE 107 -1.225 -1.859 3.506 786 HD13 ILE 107 2HD1 ILE 107 -0.589 -3.461 3.874 787 H LYS 108 H LYS 108 4.236 -2.857 5.057 788 HA LYS 108 HA LYS 108 4.631 -0.966 7.232 789 HB2 LYS 108 2HB LYS 108 3.707 -3.047 7.853 790 HB3 LYS 108 1HB LYS 108 4.905 -3.945 6.933 791 HG2 LYS 108 2HG LYS 108 6.242 -2.354 8.886 792 HG3 LYS 108 1HG LYS 108 4.945 -3.262 9.665 793 HD2 LYS 108 2HD LYS 108 7.075 -4.441 7.881 794 HD3 LYS 108 1HD LYS 108 7.069 -4.507 9.643 795 HE2 LYS 108 2HE LYS 108 5.026 -5.804 9.622 796 HE3 LYS 108 1HE LYS 108 4.922 -5.664 7.868 797 HZ1 LYS 108 3HZ LYS 108 6.976 -6.919 7.683 798 HZ2 LYS 108 1HZ LYS 108 5.813 -7.802 8.534 799 HZ3 LYS 108 2HZ LYS 108 7.078 -7.053 9.364 800 H ALA 109 H ALA 109 6.339 -2.303 4.600 801 HA ALA 109 HA ALA 109 8.831 -1.158 5.633 802 HB1 ALA 109 1HB ALA 109 10.123 -2.995 4.693 803 HB2 ALA 109 2HB ALA 109 8.637 -3.786 4.166 804 HB3 ALA 109 3HB ALA 109 8.970 -3.591 5.887 Start of MODEL 3 1 H1 MET 1 1HT MET 1 -16.613 8.251 -4.417 2 H2 MET 1 2HT MET 1 -15.468 9.485 -4.530 3 H3 MET 1 3HT MET 1 -16.264 8.940 -5.917 4 HA MET 1 HA MET 1 -17.147 11.054 -5.192 5 HB2 MET 1 2HB MET 1 -18.622 9.430 -6.316 6 HB3 MET 1 1HB MET 1 -19.051 8.747 -4.755 7 HG2 MET 1 2HG MET 1 -20.811 10.193 -5.477 8 HG3 MET 1 1HG MET 1 -19.998 10.930 -4.100 9 HE1 MET 1 2HE MET 1 -21.176 13.236 -4.670 10 HE2 MET 1 3HE MET 1 -21.970 12.510 -6.067 11 HE3 MET 1 1HE MET 1 -21.082 14.022 -6.246 12 H ALA 2 H ALA 2 -18.135 8.549 -2.833 13 HA ALA 2 HA ALA 2 -18.153 10.644 -0.761 14 HB1 ALA 2 1HB ALA 2 -20.304 9.509 -1.118 15 HB2 ALA 2 2HB ALA 2 -19.659 9.193 0.491 16 HB3 ALA 2 3HB ALA 2 -19.539 7.962 -0.765 17 H PHE 3 H PHE 3 -16.925 10.381 1.084 18 HA PHE 3 HA PHE 3 -15.436 7.866 1.318 19 HB2 PHE 3 2HB PHE 3 -13.368 9.045 1.828 20 HB3 PHE 3 1HB PHE 3 -13.951 9.497 0.235 21 HD1 PHE 3 2HD PHE 3 -15.083 11.730 -0.051 22 HD2 PHE 3 1HD PHE 3 -12.978 10.649 3.488 23 HE1 PHE 3 2HE PHE 3 -14.900 14.104 0.562 24 HE2 PHE 3 1HE PHE 3 -12.788 13.023 4.104 25 HZ PHE 3 HZ PHE 3 -13.751 14.754 2.639 26 H ALA 4 H ALA 4 -15.266 7.074 3.296 27 HA ALA 4 HA ALA 4 -16.520 8.512 5.495 28 HB1 ALA 4 1HB ALA 4 -16.365 6.376 6.681 29 HB2 ALA 4 2HB ALA 4 -15.444 5.694 5.338 30 HB3 ALA 4 3HB ALA 4 -17.125 6.175 5.103 31 H GLY 5 H GLY 5 -13.418 7.692 4.291 32 HA2 GLY 5 2HA GLY 5 -11.542 9.002 5.183 33 HA3 GLY 5 1HA GLY 5 -12.178 8.663 6.792 34 H ILE 6 H ILE 6 -12.667 5.934 5.063 35 HA ILE 6 HA ILE 6 -10.566 4.426 6.181 36 HB ILE 6 HB ILE 6 -12.468 3.880 3.903 37 HG12 ILE 6 2HG1 ILE 6 -13.389 3.894 6.183 38 HG13 ILE 6 1HG1 ILE 6 -13.460 2.289 5.464 39 HG21 ILE 6 1HG2 ILE 6 -10.448 2.663 3.371 40 HG22 ILE 6 2HG2 ILE 6 -11.687 1.538 3.928 41 HG23 ILE 6 3HG2 ILE 6 -10.373 2.008 5.009 42 HD11 ILE 6 3HD1 ILE 6 -11.465 3.255 7.499 43 HD12 ILE 6 1HD1 ILE 6 -11.440 1.669 6.730 44 HD13 ILE 6 2HD1 ILE 6 -12.790 2.126 7.766 45 H LEU 7 H LEU 7 -11.032 5.874 2.990 46 HA LEU 7 HA LEU 7 -8.187 6.297 2.891 47 HB2 LEU 7 2HB LEU 7 -7.771 5.384 0.735 48 HB3 LEU 7 1HB LEU 7 -8.457 4.131 1.731 49 HG LEU 7 HG LEU 7 -9.369 3.787 -0.376 50 HD11 LEU 7 1HD1 LEU 7 -11.087 3.641 1.290 51 HD12 LEU 7 2HD1 LEU 7 -11.756 4.264 -0.217 52 HD13 LEU 7 3HD1 LEU 7 -11.435 5.361 1.125 53 HD21 LEU 7 3HD2 LEU 7 -8.698 5.817 -1.464 54 HD22 LEU 7 1HD2 LEU 7 -9.916 6.735 -0.580 55 HD23 LEU 7 2HD2 LEU 7 -10.411 5.524 -1.762 56 H ASN 8 H ASN 8 -7.660 8.174 2.000 57 HA ASN 8 HA ASN 8 -9.867 9.843 1.096 58 HB2 ASN 8 2HB ASN 8 -7.061 10.454 1.996 59 HB3 ASN 8 1HB ASN 8 -8.087 11.669 1.240 60 HD21 ASN 8 1HD2 ASN 8 -7.846 9.452 3.921 61 HD22 ASN 8 2HD2 ASN 8 -8.845 10.347 5.011 62 H ASP 9 H ASP 9 -10.242 9.927 -1.014 63 HA ASP 9 HA ASP 9 -8.645 8.805 -2.998 64 HB2 ASP 9 2HB ASP 9 -10.758 10.955 -3.236 65 HB3 ASP 9 1HB ASP 9 -10.038 10.129 -4.611 66 H ALA 10 H ALA 10 -8.725 12.046 -1.708 67 HA ALA 10 HA ALA 10 -7.129 13.318 -3.642 68 HB1 ALA 10 1HB ALA 10 -8.476 14.549 -2.027 69 HB2 ALA 10 2HB ALA 10 -6.783 15.038 -1.932 70 HB3 ALA 10 3HB ALA 10 -7.460 13.957 -0.712 71 H ASP 11 H ASP 11 -6.288 11.652 -0.616 72 HA ASP 11 HA ASP 11 -3.532 12.263 -0.726 73 HB2 ASP 11 2HB ASP 11 -5.134 10.225 0.772 74 HB3 ASP 11 1HB ASP 11 -3.377 10.163 0.804 75 H ILE 12 H ILE 12 -5.368 9.440 -1.710 76 HA ILE 12 HA ILE 12 -3.207 7.927 -2.668 77 HB ILE 12 HB ILE 12 -6.150 7.938 -3.142 78 HG12 ILE 12 2HG1 ILE 12 -5.911 5.592 -2.291 79 HG13 ILE 12 1HG1 ILE 12 -4.191 5.889 -2.087 80 HG21 ILE 12 1HG2 ILE 12 -5.957 5.992 -4.642 81 HG22 ILE 12 2HG2 ILE 12 -4.208 6.215 -4.678 82 HG23 ILE 12 3HG2 ILE 12 -5.269 7.454 -5.349 83 HD11 ILE 12 3HD1 ILE 12 -5.381 6.081 0.015 84 HD12 ILE 12 1HD1 ILE 12 -6.412 7.339 -0.666 85 HD13 ILE 12 2HD1 ILE 12 -4.685 7.632 -0.455 86 H THR 13 H THR 13 -5.358 10.236 -4.288 87 HA THR 13 HA THR 13 -4.220 10.024 -6.854 88 HB THR 13 HB THR 13 -5.667 12.351 -5.569 89 HG1 THR 13 1HG THR 13 -6.995 10.556 -5.699 90 HG21 THR 13 3HG2 THR 13 -6.110 13.126 -7.840 91 HG22 THR 13 1HG2 THR 13 -5.134 11.810 -8.493 92 HG23 THR 13 2HG2 THR 13 -4.375 13.076 -7.529 93 H ALA 14 H ALA 14 -3.380 11.985 -4.043 94 HA ALA 14 HA ALA 14 -1.477 13.651 -5.268 95 HB1 ALA 14 1HB ALA 14 -1.505 12.634 -2.429 96 HB2 ALA 14 2HB ALA 14 -2.377 14.048 -3.021 97 HB3 ALA 14 3HB ALA 14 -0.614 14.032 -3.027 98 H ALA 15 H ALA 15 -1.180 10.468 -3.754 99 HA ALA 15 HA ALA 15 1.617 10.209 -4.126 100 HB1 ALA 15 1HB ALA 15 -0.482 8.062 -3.838 101 HB2 ALA 15 2HB ALA 15 0.399 8.836 -2.522 102 HB3 ALA 15 3HB ALA 15 1.259 7.828 -3.685 103 H LEU 16 H LEU 16 -1.180 9.358 -6.093 104 HA LEU 16 HA LEU 16 0.341 8.052 -8.128 105 HB2 LEU 16 2HB LEU 16 -2.473 9.145 -8.140 106 HB3 LEU 16 1HB LEU 16 -1.768 8.223 -9.453 107 HG LEU 16 HG LEU 16 -2.036 7.151 -6.648 108 HD11 LEU 16 1HD1 LEU 16 -3.956 5.873 -7.551 109 HD12 LEU 16 2HD1 LEU 16 -3.884 6.870 -9.005 110 HD13 LEU 16 3HD1 LEU 16 -4.249 7.608 -7.448 111 HD21 LEU 16 3HD2 LEU 16 -1.536 5.802 -9.299 112 HD22 LEU 16 1HD2 LEU 16 -1.712 4.993 -7.743 113 HD23 LEU 16 2HD2 LEU 16 -0.341 6.063 -8.029 114 H ALA 17 H ALA 17 -0.371 11.329 -7.399 115 HA ALA 17 HA ALA 17 0.297 12.362 -10.002 116 HB1 ALA 17 1HB ALA 17 0.211 13.782 -7.337 117 HB2 ALA 17 2HB ALA 17 -1.146 13.617 -8.451 118 HB3 ALA 17 3HB ALA 17 0.275 14.545 -8.926 119 H ALA 18 H ALA 18 1.945 11.742 -6.965 120 HA ALA 18 HA ALA 18 4.458 12.835 -7.752 121 HB1 ALA 18 1HB ALA 18 3.846 10.759 -5.644 122 HB2 ALA 18 2HB ALA 18 3.853 12.504 -5.393 123 HB3 ALA 18 3HB ALA 18 5.349 11.667 -5.802 124 H CYS 19 H CYS 19 2.822 9.804 -8.131 125 HA CYS 19 HA CYS 19 5.161 8.674 -9.509 126 HB2 CYS 19 2HB CYS 19 2.670 7.261 -8.539 127 HB3 CYS 19 1HB CYS 19 4.113 6.503 -9.200 128 HG CYS 19 HG CYS 19 3.583 7.789 -6.123 129 H LYS 20 H LYS 20 3.475 10.694 -10.688 130 HA LYS 20 HA LYS 20 1.721 9.452 -12.568 131 HB2 LYS 20 2HB LYS 20 1.320 11.754 -11.948 132 HB3 LYS 20 1HB LYS 20 2.939 12.219 -12.458 133 HG2 LYS 20 2HG LYS 20 2.377 11.724 -14.761 134 HG3 LYS 20 1HG LYS 20 0.771 11.194 -14.269 135 HD2 LYS 20 2HD LYS 20 0.190 13.408 -13.561 136 HD3 LYS 20 1HD LYS 20 1.844 13.973 -13.815 137 HE2 LYS 20 2HE LYS 20 0.305 14.627 -15.640 138 HE3 LYS 20 1HE LYS 20 1.648 13.627 -16.190 139 HZ1 LYS 20 3HZ LYS 20 -1.123 12.685 -15.676 140 HZ2 LYS 20 1HZ LYS 20 0.165 11.709 -16.179 141 HZ3 LYS 20 2HZ LYS 20 -0.421 12.924 -17.194 142 H ALA 21 H ALA 21 5.076 10.348 -12.453 143 HA ALA 21 HA ALA 21 5.684 9.945 -15.190 144 HB1 ALA 21 1HB ALA 21 7.175 11.185 -13.712 145 HB2 ALA 21 2HB ALA 21 8.013 9.811 -14.434 146 HB3 ALA 21 3HB ALA 21 7.461 9.726 -12.763 147 H GLU 22 H GLU 22 5.264 8.089 -16.173 148 HA GLU 22 HA GLU 22 4.898 5.628 -14.872 149 HB2 GLU 22 2HB GLU 22 5.433 6.207 -17.789 150 HB3 GLU 22 1HB GLU 22 4.872 4.665 -17.156 151 HG2 GLU 22 2HG GLU 22 2.832 5.706 -16.359 152 HG3 GLU 22 1HG GLU 22 3.399 7.278 -16.921 153 H GLY 23 H GLY 23 6.218 4.045 -14.330 154 HA2 GLY 23 2HA GLY 23 8.157 2.714 -14.403 155 HA3 GLY 23 1HA GLY 23 8.911 3.897 -15.465 156 H SER 24 H SER 24 7.354 5.322 -12.850 157 HA SER 24 HA SER 24 9.841 5.438 -11.293 158 HB2 SER 24 2HB SER 24 9.593 7.403 -12.871 159 HB3 SER 24 1HB SER 24 8.154 7.864 -11.964 160 HG SER 24 HG SER 24 9.378 8.337 -10.225 161 H PHE 25 H PHE 25 7.283 4.014 -10.927 162 HA PHE 25 HA PHE 25 5.748 5.333 -8.929 163 HB2 PHE 25 2HB PHE 25 5.004 3.335 -10.341 164 HB3 PHE 25 1HB PHE 25 5.995 2.347 -9.265 165 HD1 PHE 25 1HD PHE 25 3.129 4.707 -9.281 166 HD2 PHE 25 2HD PHE 25 5.161 1.570 -7.248 167 HE1 PHE 25 1HE PHE 25 1.259 4.530 -7.694 168 HE2 PHE 25 2HE PHE 25 3.292 1.386 -5.658 169 HZ PHE 25 HZ PHE 25 1.340 2.869 -5.877 170 H ASP 26 H ASP 26 6.269 5.682 -6.879 171 HA ASP 26 HA ASP 26 8.248 3.902 -5.630 172 HB2 ASP 26 2HB ASP 26 8.712 6.404 -5.672 173 HB3 ASP 26 1HB ASP 26 7.346 6.589 -4.578 174 H HIS 27 H HIS 27 6.906 2.253 -5.103 175 HA HIS 27 HA HIS 27 4.373 2.235 -4.100 176 HB2 HIS 27 2HB HIS 27 4.749 0.022 -3.437 177 HB3 HIS 27 1HB HIS 27 5.985 0.287 -4.651 178 HD1 HIS 27 1HD HIS 27 8.436 0.219 -3.911 179 HD2 HIS 27 2HD HIS 27 5.730 -0.284 -0.792 180 HE1 HIS 27 1HE HIS 27 9.797 -0.571 -1.953 181 HE2 HIS 27 2HE HIS 27 8.156 -0.803 -0.058 182 H LYS 28 H LYS 28 7.251 3.081 -2.430 183 HA LYS 28 HA LYS 28 6.246 2.811 0.220 184 HB2 LYS 28 2HB LYS 28 8.613 2.669 -0.447 185 HB3 LYS 28 1HB LYS 28 8.561 4.364 -0.908 186 HG2 LYS 28 2HG LYS 28 8.133 5.011 1.398 187 HG3 LYS 28 1HG LYS 28 8.170 3.318 1.882 188 HD2 LYS 28 2HD LYS 28 10.294 4.247 2.417 189 HD3 LYS 28 1HD LYS 28 10.520 3.214 1.010 190 HE2 LYS 28 2HE LYS 28 10.077 6.174 0.754 191 HE3 LYS 28 1HE LYS 28 11.678 5.497 1.021 192 HZ1 LYS 28 3HZ LYS 28 11.234 4.108 -1.024 193 HZ2 LYS 28 1HZ LYS 28 11.457 5.764 -1.281 194 HZ3 LYS 28 2HZ LYS 28 9.902 5.113 -1.321 195 H ALA 29 H ALA 29 6.955 5.606 -1.871 196 HA ALA 29 HA ALA 29 6.031 7.646 -0.253 197 HB1 ALA 29 1HB ALA 29 7.195 8.003 -2.385 198 HB2 ALA 29 2HB ALA 29 5.710 8.947 -2.280 199 HB3 ALA 29 3HB ALA 29 5.752 7.475 -3.252 200 H PHE 30 H PHE 30 4.230 5.372 -2.201 201 HA PHE 30 HA PHE 30 1.726 6.671 -2.072 202 HB2 PHE 30 2HB PHE 30 2.320 4.827 -3.658 203 HB3 PHE 30 1HB PHE 30 2.270 3.699 -2.310 204 HD1 PHE 30 2HD PHE 30 0.300 5.769 -4.577 205 HD2 PHE 30 1HD PHE 30 0.159 3.034 -1.321 206 HE1 PHE 30 2HE PHE 30 -2.109 5.453 -4.953 207 HE2 PHE 30 1HE PHE 30 -2.250 2.712 -1.693 208 HZ PHE 30 HZ PHE 30 -3.387 3.923 -3.509 209 H PHE 31 H PHE 31 3.017 3.923 -0.136 210 HA PHE 31 HA PHE 31 0.723 3.782 1.511 211 HB2 PHE 31 2HB PHE 31 1.823 2.120 2.763 212 HB3 PHE 31 1HB PHE 31 2.439 1.954 1.147 213 HD1 PHE 31 2HD PHE 31 3.420 3.747 4.261 214 HD2 PHE 31 1HD PHE 31 4.605 1.427 0.911 215 HE1 PHE 31 2HE PHE 31 5.719 3.680 5.132 216 HE2 PHE 31 1HE PHE 31 6.903 1.343 1.776 217 HZ PHE 31 HZ PHE 31 7.465 2.472 3.889 218 H THR 32 H THR 32 3.653 5.591 1.731 219 HA THR 32 HA THR 32 3.250 6.107 4.529 220 HB THR 32 HB THR 32 5.430 5.538 3.418 221 HG1 THR 32 1HG THR 32 6.570 6.944 4.865 222 HG21 THR 32 3HG2 THR 32 5.310 8.461 2.627 223 HG22 THR 32 1HG2 THR 32 5.327 7.075 1.534 224 HG23 THR 32 2HG2 THR 32 6.740 7.431 2.525 225 H LYS 33 H LYS 33 2.562 7.662 1.564 226 HA LYS 33 HA LYS 33 2.314 10.297 2.708 227 HB2 LYS 33 2HB LYS 33 2.938 10.021 0.386 228 HB3 LYS 33 1HB LYS 33 1.448 9.158 0.054 229 HG2 LYS 33 2HG LYS 33 0.156 11.166 0.508 230 HG3 LYS 33 1HG LYS 33 1.637 12.044 0.888 231 HD2 LYS 33 2HD LYS 33 1.076 10.737 -1.770 232 HD3 LYS 33 1HD LYS 33 0.771 12.443 -1.421 233 HE2 LYS 33 2HE LYS 33 3.444 11.039 -1.313 234 HE3 LYS 33 1HE LYS 33 2.902 12.150 -2.569 235 HZ1 LYS 33 3HZ LYS 33 4.331 13.292 -1.037 236 HZ2 LYS 33 1HZ LYS 33 3.384 12.820 0.285 237 HZ3 LYS 33 2HZ LYS 33 2.761 13.893 -0.861 238 H VAL 34 H VAL 34 0.079 7.775 1.563 239 HA VAL 34 HA VAL 34 -2.236 9.285 2.192 240 HB VAL 34 HB VAL 34 -3.453 7.392 1.464 241 HG11 VAL 34 1HG1 VAL 34 -2.441 6.908 -0.709 242 HG12 VAL 34 2HG1 VAL 34 -0.924 7.598 -0.135 243 HG13 VAL 34 3HG1 VAL 34 -2.351 8.621 -0.300 244 HG21 VAL 34 3HG2 VAL 34 -2.452 5.200 1.041 245 HG22 VAL 34 1HG2 VAL 34 -2.337 5.655 2.742 246 HG23 VAL 34 2HG2 VAL 34 -0.923 5.788 1.696 247 H GLY 35 H GLY 35 -0.115 7.464 4.063 248 HA2 GLY 35 2HA GLY 35 -0.186 7.216 6.384 249 HA3 GLY 35 1HA GLY 35 -1.886 7.661 6.354 250 H LEU 36 H LEU 36 -0.492 5.199 4.321 251 HA LEU 36 HA LEU 36 -2.469 3.310 5.226 252 HB2 LEU 36 2HB LEU 36 -1.513 3.722 2.833 253 HB3 LEU 36 1HB LEU 36 -0.214 2.673 3.358 254 HG LEU 36 HG LEU 36 -1.958 0.922 3.861 255 HD11 LEU 36 1HD1 LEU 36 -4.136 1.169 2.794 256 HD12 LEU 36 2HD1 LEU 36 -3.718 2.808 2.299 257 HD13 LEU 36 3HD1 LEU 36 -3.886 2.421 4.010 258 HD21 LEU 36 3HD2 LEU 36 -0.576 0.856 1.849 259 HD22 LEU 36 1HD2 LEU 36 -1.735 1.887 1.012 260 HD23 LEU 36 2HD2 LEU 36 -2.205 0.266 1.522 261 H ALA 37 H ALA 37 0.814 4.027 5.912 262 HA ALA 37 HA ALA 37 1.737 1.434 6.587 263 HB1 ALA 37 1HB ALA 37 2.825 4.070 7.548 264 HB2 ALA 37 2HB ALA 37 3.186 3.355 5.980 265 HB3 ALA 37 3HB ALA 37 3.677 2.530 7.460 266 H ALA 38 H ALA 38 -0.134 3.767 8.336 267 HA ALA 38 HA ALA 38 0.269 2.216 10.811 268 HB1 ALA 38 1HB ALA 38 -0.699 5.057 10.527 269 HB2 ALA 38 2HB ALA 38 0.923 4.563 11.008 270 HB3 ALA 38 3HB ALA 38 -0.456 4.190 12.042 271 H LYS 39 H LYS 39 -1.516 1.479 8.648 272 HA LYS 39 HA LYS 39 -4.190 2.111 9.550 273 HB2 LYS 39 2HB LYS 39 -3.098 0.404 7.327 274 HB3 LYS 39 1HB LYS 39 -4.812 0.433 7.720 275 HG2 LYS 39 2HG LYS 39 -3.211 2.879 7.010 276 HG3 LYS 39 1HG LYS 39 -4.137 1.927 5.848 277 HD2 LYS 39 2HD LYS 39 -6.161 2.311 7.257 278 HD3 LYS 39 1HD LYS 39 -5.198 3.400 8.254 279 HE2 LYS 39 2HE LYS 39 -4.878 4.906 6.446 280 HE3 LYS 39 1HE LYS 39 -5.543 3.753 5.288 281 HZ1 LYS 39 3HZ LYS 39 -7.092 4.961 7.513 282 HZ2 LYS 39 1HZ LYS 39 -7.694 3.980 6.268 283 HZ3 LYS 39 2HZ LYS 39 -7.106 5.532 5.922 284 H SER 40 H SER 40 -5.659 0.689 10.395 285 HA SER 40 HA SER 40 -4.539 -1.422 12.009 286 HB2 SER 40 2HB SER 40 -7.400 -0.469 11.767 287 HB3 SER 40 1HB SER 40 -6.750 -1.501 13.037 288 HG SER 40 HG SER 40 -5.408 0.224 13.674 289 HA PRO 41 HA PRO 41 -5.253 -5.092 9.805 290 HB2 PRO 41 2HB PRO 41 -7.425 -5.782 11.741 291 HB3 PRO 41 1HB PRO 41 -6.088 -6.776 11.150 292 HG2 PRO 41 2HG PRO 41 -5.959 -5.654 13.548 293 HG3 PRO 41 1HG PRO 41 -4.528 -5.718 12.502 294 HD2 PRO 41 2HD PRO 41 -6.272 -3.414 13.186 295 HD3 PRO 41 1HD PRO 41 -4.542 -3.446 12.802 296 H ALA 42 H ALA 42 -8.384 -3.692 10.807 297 HA ALA 42 HA ALA 42 -9.930 -5.014 8.861 298 HB1 ALA 42 1HB ALA 42 -10.506 -2.401 10.247 299 HB2 ALA 42 2HB ALA 42 -10.892 -4.005 10.868 300 HB3 ALA 42 3HB ALA 42 -11.680 -3.412 9.407 301 H ASP 43 H ASP 43 -8.393 -1.816 8.835 302 HA ASP 43 HA ASP 43 -9.462 -1.064 6.296 303 HB2 ASP 43 2HB ASP 43 -8.600 0.535 8.046 304 HB3 ASP 43 1HB ASP 43 -6.971 0.017 7.634 305 H ILE 44 H ILE 44 -6.348 -2.317 7.407 306 HA ILE 44 HA ILE 44 -5.132 -2.492 4.881 307 HB ILE 44 HB ILE 44 -4.645 -3.866 7.502 308 HG12 ILE 44 2HG1 ILE 44 -3.955 -1.559 7.351 309 HG13 ILE 44 1HG1 ILE 44 -2.524 -2.586 7.379 310 HG21 ILE 44 1HG2 ILE 44 -4.046 -5.518 5.829 311 HG22 ILE 44 2HG2 ILE 44 -2.598 -4.856 6.589 312 HG23 ILE 44 3HG2 ILE 44 -3.070 -4.322 4.975 313 HD11 ILE 44 3HD1 ILE 44 -2.181 -0.855 5.782 314 HD12 ILE 44 1HD1 ILE 44 -3.719 -1.201 4.995 315 HD13 ILE 44 2HD1 ILE 44 -2.403 -2.371 4.910 316 H LYS 45 H LYS 45 -7.406 -4.566 6.511 317 HA LYS 45 HA LYS 45 -7.132 -6.878 4.936 318 HB2 LYS 45 2HB LYS 45 -8.416 -6.779 7.045 319 HB3 LYS 45 1HB LYS 45 -9.632 -5.795 6.242 320 HG2 LYS 45 2HG LYS 45 -10.358 -8.095 6.384 321 HG3 LYS 45 1HG LYS 45 -10.095 -7.635 4.700 322 HD2 LYS 45 2HD LYS 45 -7.827 -8.677 4.856 323 HD3 LYS 45 1HD LYS 45 -8.275 -9.278 6.453 324 HE2 LYS 45 2HE LYS 45 -9.648 -9.895 3.848 325 HE3 LYS 45 1HE LYS 45 -8.613 -10.990 4.764 326 HZ1 LYS 45 3HZ LYS 45 -10.947 -11.453 5.161 327 HZ2 LYS 45 1HZ LYS 45 -11.199 -9.870 5.699 328 HZ3 LYS 45 2HZ LYS 45 -10.203 -10.915 6.580 329 H LYS 46 H LYS 46 -9.281 -4.043 4.523 330 HA LYS 46 HA LYS 46 -10.293 -5.062 2.053 331 HB2 LYS 46 2HB LYS 46 -11.242 -2.773 1.720 332 HB3 LYS 46 1HB LYS 46 -11.711 -3.544 3.221 333 HG2 LYS 46 2HG LYS 46 -11.297 -1.390 3.887 334 HG3 LYS 46 1HG LYS 46 -9.765 -2.182 4.247 335 HD2 LYS 46 2HD LYS 46 -9.266 -0.100 3.205 336 HD3 LYS 46 1HD LYS 46 -8.925 -1.370 2.029 337 HE2 LYS 46 2HE LYS 46 -10.974 -0.929 0.869 338 HE3 LYS 46 1HE LYS 46 -11.499 0.190 2.125 339 HZ1 LYS 46 3HZ LYS 46 -9.263 0.561 0.214 340 HZ2 LYS 46 1HZ LYS 46 -9.538 1.577 1.537 341 HZ3 LYS 46 2HZ LYS 46 -10.692 1.455 0.306 342 H VAL 47 H VAL 47 -7.506 -3.227 2.971 343 HA VAL 47 HA VAL 47 -6.722 -2.351 0.407 344 HB VAL 47 HB VAL 47 -5.000 -3.130 2.768 345 HG11 VAL 47 1HG1 VAL 47 -3.213 -1.881 1.678 346 HG12 VAL 47 2HG1 VAL 47 -4.252 -1.589 0.284 347 HG13 VAL 47 3HG1 VAL 47 -3.737 -3.231 0.671 348 HG21 VAL 47 3HG2 VAL 47 -5.915 -0.426 1.786 349 HG22 VAL 47 1HG2 VAL 47 -4.838 -0.723 3.149 350 HG23 VAL 47 2HG2 VAL 47 -6.515 -1.265 3.218 351 H PHE 48 H PHE 48 -6.165 -5.341 2.187 352 HA PHE 48 HA PHE 48 -4.679 -6.739 0.301 353 HB2 PHE 48 2HB PHE 48 -6.751 -7.750 2.248 354 HB3 PHE 48 1HB PHE 48 -5.689 -8.797 1.318 355 HD1 PHE 48 1HD PHE 48 -3.284 -6.762 1.619 356 HD2 PHE 48 2HD PHE 48 -5.958 -8.659 4.334 357 HE1 PHE 48 1HE PHE 48 -1.576 -6.646 3.379 358 HE2 PHE 48 2HE PHE 48 -4.252 -8.542 6.100 359 HZ PHE 48 HZ PHE 48 -2.058 -7.536 5.623 360 H GLU 49 H GLU 49 -8.116 -6.107 0.471 361 HA GLU 49 HA GLU 49 -8.743 -7.776 -1.786 362 HB2 GLU 49 2HB GLU 49 -10.359 -5.572 -0.494 363 HB3 GLU 49 1HB GLU 49 -10.965 -6.732 -1.666 364 HG2 GLU 49 2HG GLU 49 -10.541 -8.544 -0.086 365 HG3 GLU 49 1HG GLU 49 -9.938 -7.374 1.089 366 H ILE 50 H ILE 50 -7.441 -4.616 -1.419 367 HA ILE 50 HA ILE 50 -8.476 -3.529 -3.848 368 HB ILE 50 HB ILE 50 -5.975 -2.644 -2.405 369 HG12 ILE 50 2HG1 ILE 50 -8.784 -1.553 -2.167 370 HG13 ILE 50 1HG1 ILE 50 -8.038 -2.621 -0.982 371 HG21 ILE 50 1HG2 ILE 50 -7.776 -1.213 -4.357 372 HG22 ILE 50 2HG2 ILE 50 -6.163 -1.831 -4.706 373 HG23 ILE 50 3HG2 ILE 50 -6.372 -0.520 -3.548 374 HD11 ILE 50 3HD1 ILE 50 -7.236 0.176 -1.708 375 HD12 ILE 50 1HD1 ILE 50 -6.225 -0.900 -0.744 376 HD13 ILE 50 2HD1 ILE 50 -7.820 -0.424 -0.157 377 H ILE 51 H ILE 51 -5.322 -5.059 -3.024 378 HA ILE 51 HA ILE 51 -4.379 -4.919 -5.716 379 HB ILE 51 HB ILE 51 -2.816 -6.871 -5.095 380 HG12 ILE 51 2HG1 ILE 51 -4.501 -7.343 -3.023 381 HG13 ILE 51 1HG1 ILE 51 -2.792 -7.761 -2.947 382 HG21 ILE 51 1HG2 ILE 51 -2.733 -4.302 -3.513 383 HG22 ILE 51 2HG2 ILE 51 -2.103 -4.576 -5.137 384 HG23 ILE 51 3HG2 ILE 51 -1.378 -5.403 -3.759 385 HD11 ILE 51 3HD1 ILE 51 -2.436 -5.500 -1.864 386 HD12 ILE 51 1HD1 ILE 51 -3.312 -6.698 -0.919 387 HD13 ILE 51 2HD1 ILE 51 -4.189 -5.393 -1.715 388 H ASP 52 H ASP 52 -6.329 -7.156 -3.914 389 HA ASP 52 HA ASP 52 -6.538 -9.039 -6.086 390 HB2 ASP 52 2HB ASP 52 -6.755 -9.588 -3.596 391 HB3 ASP 52 1HB ASP 52 -8.329 -8.818 -3.661 392 H GLN 53 H GLN 53 -7.120 -6.845 -7.348 393 HA GLN 53 HA GLN 53 -9.652 -5.676 -6.934 394 HB2 GLN 53 2HB GLN 53 -9.306 -4.597 -9.136 395 HB3 GLN 53 1HB GLN 53 -7.935 -4.424 -8.055 396 HG2 GLN 53 2HG GLN 53 -6.880 -4.908 -10.012 397 HG3 GLN 53 1HG GLN 53 -7.038 -6.519 -9.322 398 HE21 GLN 53 1HE2 GLN 53 -9.690 -4.736 -10.753 399 HE22 GLN 53 2HE2 GLN 53 -9.885 -5.761 -12.129 400 H ASP 54 H ASP 54 -8.688 -8.481 -8.675 401 HA ASP 54 HA ASP 54 -11.235 -8.703 -10.053 402 HB2 ASP 54 2HB ASP 54 -10.427 -10.779 -10.967 403 HB3 ASP 54 1HB ASP 54 -9.145 -9.583 -11.081 404 H LYS 55 H LYS 55 -9.954 -9.474 -7.043 405 HA LYS 55 HA LYS 55 -10.724 -10.470 -5.187 406 HB2 LYS 55 2HB LYS 55 -12.566 -8.844 -5.650 407 HB3 LYS 55 1HB LYS 55 -13.453 -10.141 -6.435 408 HG2 LYS 55 2HG LYS 55 -14.165 -9.686 -4.100 409 HG3 LYS 55 1HG LYS 55 -13.649 -11.348 -4.378 410 HD2 LYS 55 2HD LYS 55 -11.456 -9.631 -3.535 411 HD3 LYS 55 1HD LYS 55 -12.771 -9.671 -2.358 412 HE2 LYS 55 2HE LYS 55 -12.644 -12.042 -2.177 413 HE3 LYS 55 1HE LYS 55 -11.564 -12.155 -3.564 414 HZ1 LYS 55 3HZ LYS 55 -10.431 -12.406 -1.407 415 HZ2 LYS 55 1HZ LYS 55 -10.871 -10.820 -1.005 416 HZ3 LYS 55 2HZ LYS 55 -9.837 -11.103 -2.318 417 H SER 56 H SER 56 -9.628 -12.328 -6.431 418 HA SER 56 HA SER 56 -11.530 -14.589 -6.382 419 HB2 SER 56 2HB SER 56 -8.886 -14.604 -7.837 420 HB3 SER 56 1HB SER 56 -10.242 -15.715 -8.030 421 HG SER 56 HG SER 56 -11.440 -13.958 -8.902 422 H ASP 57 H ASP 57 -9.447 -13.032 -4.585 423 HA ASP 57 HA ASP 57 -8.184 -13.449 -2.786 424 HB2 ASP 57 2HB ASP 57 -9.269 -16.227 -3.127 425 HB3 ASP 57 1HB ASP 57 -8.089 -15.841 -1.876 426 H PHE 58 H PHE 58 -7.428 -14.060 -5.725 427 HA PHE 58 HA PHE 58 -4.638 -14.490 -4.962 428 HB2 PHE 58 2HB PHE 58 -5.905 -15.555 -7.501 429 HB3 PHE 58 1HB PHE 58 -4.178 -15.582 -7.130 430 HD1 PHE 58 1HD PHE 58 -3.361 -16.989 -5.256 431 HD2 PHE 58 2HD PHE 58 -7.366 -17.208 -6.669 432 HE1 PHE 58 1HE PHE 58 -3.622 -19.177 -4.163 433 HE2 PHE 58 2HE PHE 58 -7.635 -19.395 -5.580 434 HZ PHE 58 HZ PHE 58 -5.762 -20.384 -4.324 435 H VAL 59 H VAL 59 -3.231 -13.082 -5.895 436 HA VAL 59 HA VAL 59 -4.521 -10.813 -7.261 437 HB VAL 59 HB VAL 59 -2.366 -10.774 -5.160 438 HG11 VAL 59 1HG1 VAL 59 -2.423 -8.491 -5.179 439 HG12 VAL 59 2HG1 VAL 59 -3.872 -8.428 -6.179 440 HG13 VAL 59 3HG1 VAL 59 -2.335 -8.953 -6.874 441 HG21 VAL 59 3HG2 VAL 59 -5.270 -10.062 -4.951 442 HG22 VAL 59 1HG2 VAL 59 -4.059 -9.771 -3.704 443 HG23 VAL 59 2HG2 VAL 59 -4.460 -11.422 -4.177 444 H GLU 60 H GLU 60 -3.729 -11.653 -9.319 445 HA GLU 60 HA GLU 60 -0.895 -12.067 -9.646 446 HB2 GLU 60 2HB GLU 60 -3.178 -12.081 -11.613 447 HB3 GLU 60 1HB GLU 60 -1.506 -12.328 -12.088 448 HG2 GLU 60 2HG GLU 60 -2.485 -14.461 -11.912 449 HG3 GLU 60 1HG GLU 60 -1.446 -14.270 -10.504 450 H GLU 61 H GLU 61 0.110 -11.028 -11.707 451 HA GLU 61 HA GLU 61 0.525 -8.308 -11.300 452 HB2 GLU 61 2HB GLU 61 2.063 -9.766 -12.526 453 HB3 GLU 61 1HB GLU 61 0.893 -9.928 -13.825 454 HG2 GLU 61 2HG GLU 61 1.081 -7.528 -14.273 455 HG3 GLU 61 1HG GLU 61 2.294 -7.398 -13.000 456 H ASP 62 H ASP 62 -1.750 -9.939 -13.454 457 HA ASP 62 HA ASP 62 -2.686 -7.731 -14.878 458 HB2 ASP 62 2HB ASP 62 -3.888 -10.359 -14.126 459 HB3 ASP 62 1HB ASP 62 -4.928 -9.120 -14.822 460 H GLU 63 H GLU 63 -3.490 -8.872 -11.668 461 HA GLU 63 HA GLU 63 -5.668 -7.110 -11.260 462 HB2 GLU 63 2HB GLU 63 -3.937 -8.741 -9.449 463 HB3 GLU 63 1HB GLU 63 -5.016 -7.532 -8.767 464 HG2 GLU 63 2HG GLU 63 -6.327 -9.387 -8.681 465 HG3 GLU 63 1HG GLU 63 -6.806 -8.710 -10.234 466 H LEU 64 H LEU 64 -2.215 -6.912 -10.516 467 HA LEU 64 HA LEU 64 -2.374 -4.523 -9.058 468 HB2 LEU 64 2HB LEU 64 -0.165 -5.992 -10.397 469 HB3 LEU 64 1HB LEU 64 0.121 -4.347 -9.864 470 HG LEU 64 HG LEU 64 0.880 -5.886 -8.176 471 HD11 LEU 64 1HD1 LEU 64 -0.153 -3.763 -7.475 472 HD12 LEU 64 2HD1 LEU 64 -0.287 -5.037 -6.267 473 HD13 LEU 64 3HD1 LEU 64 -1.682 -4.613 -7.257 474 HD21 LEU 64 3HD2 LEU 64 -0.516 -7.800 -8.743 475 HD22 LEU 64 1HD2 LEU 64 -1.937 -6.951 -8.135 476 HD23 LEU 64 2HD2 LEU 64 -0.643 -7.410 -7.028 477 H LYS 65 H LYS 65 -2.499 -5.132 -12.429 478 HA LYS 65 HA LYS 65 -1.739 -2.596 -13.365 479 HB2 LYS 65 2HB LYS 65 -3.766 -4.520 -14.509 480 HB3 LYS 65 1HB LYS 65 -3.145 -3.110 -15.350 481 HG2 LYS 65 2HG LYS 65 -1.689 -5.616 -14.585 482 HG3 LYS 65 1HG LYS 65 -1.970 -4.951 -16.196 483 HD2 LYS 65 2HD LYS 65 -0.627 -2.909 -15.203 484 HD3 LYS 65 1HD LYS 65 0.005 -4.151 -14.120 485 HE2 LYS 65 2HE LYS 65 0.151 -4.077 -17.124 486 HE3 LYS 65 1HE LYS 65 1.482 -3.969 -15.976 487 HZ1 LYS 65 3HZ LYS 65 1.124 -6.233 -15.337 488 HZ2 LYS 65 1HZ LYS 65 1.292 -6.162 -17.017 489 HZ3 LYS 65 2HZ LYS 65 -0.240 -6.359 -16.330 490 H LEU 66 H LEU 66 -4.947 -3.878 -12.503 491 HA LEU 66 HA LEU 66 -6.000 -1.143 -12.633 492 HB2 LEU 66 2HB LEU 66 -7.481 -3.771 -12.556 493 HB3 LEU 66 1HB LEU 66 -8.236 -2.189 -12.624 494 HG LEU 66 HG LEU 66 -8.318 -2.763 -14.834 495 HD11 LEU 66 1HD1 LEU 66 -7.133 -0.679 -14.745 496 HD12 LEU 66 2HD1 LEU 66 -6.462 -1.653 -16.054 497 HD13 LEU 66 3HD1 LEU 66 -5.591 -1.508 -14.522 498 HD21 LEU 66 3HD2 LEU 66 -6.616 -4.070 -16.015 499 HD22 LEU 66 1HD2 LEU 66 -7.239 -4.924 -14.604 500 HD23 LEU 66 2HD2 LEU 66 -5.660 -4.147 -14.537 501 H PHE 67 H PHE 67 -4.646 -3.020 -10.415 502 HA PHE 67 HA PHE 67 -6.166 -2.942 -8.119 503 HB2 PHE 67 2HB PHE 67 -4.144 -3.917 -7.684 504 HB3 PHE 67 1HB PHE 67 -3.277 -2.853 -8.780 505 HD1 PHE 67 2HD PHE 67 -4.781 -3.001 -5.389 506 HD2 PHE 67 1HD PHE 67 -1.989 -1.099 -7.969 507 HE1 PHE 67 2HE PHE 67 -3.855 -1.769 -3.473 508 HE2 PHE 67 1HE PHE 67 -1.056 0.134 -6.058 509 HZ PHE 67 HZ PHE 67 -1.990 -0.199 -3.804 510 H LEU 68 H LEU 68 -4.426 -0.383 -9.768 511 HA LEU 68 HA LEU 68 -4.658 1.647 -7.838 512 HB2 LEU 68 2HB LEU 68 -4.599 1.987 -10.840 513 HB3 LEU 68 1HB LEU 68 -4.233 3.219 -9.655 514 HG LEU 68 HG LEU 68 -2.170 2.557 -10.539 515 HD11 LEU 68 1HD1 LEU 68 -2.529 1.067 -7.951 516 HD12 LEU 68 2HD1 LEU 68 -2.136 2.777 -8.130 517 HD13 LEU 68 3HD1 LEU 68 -0.988 1.548 -8.661 518 HD21 LEU 68 3HD2 LEU 68 -3.069 0.439 -11.568 519 HD22 LEU 68 1HD2 LEU 68 -2.786 -0.339 -10.009 520 HD23 LEU 68 2HD2 LEU 68 -1.431 0.338 -10.910 521 H GLN 69 H GLN 69 -6.665 0.737 -10.576 522 HA GLN 69 HA GLN 69 -8.556 2.835 -10.211 523 HB2 GLN 69 2HB GLN 69 -8.735 0.255 -11.776 524 HB3 GLN 69 1HB GLN 69 -9.908 1.565 -11.861 525 HG2 GLN 69 2HG GLN 69 -8.163 3.067 -12.689 526 HG3 GLN 69 1HG GLN 69 -7.000 1.741 -12.615 527 HE21 GLN 69 1HE2 GLN 69 -6.609 1.947 -14.827 528 HE22 GLN 69 2HE2 GLN 69 -7.728 1.366 -16.008 529 H ASN 70 H ASN 70 -7.972 -0.029 -8.565 530 HA ASN 70 HA ASN 70 -10.744 -0.356 -7.703 531 HB2 ASN 70 2HB ASN 70 -9.292 -2.351 -8.113 532 HB3 ASN 70 1HB ASN 70 -8.276 -1.841 -6.770 533 HD21 ASN 70 1HD2 ASN 70 -8.712 -3.817 -5.741 534 HD22 ASN 70 2HD2 ASN 70 -10.219 -4.095 -4.934 535 H PHE 71 H PHE 71 -7.649 0.816 -6.572 536 HA PHE 71 HA PHE 71 -8.507 1.489 -3.932 537 HB2 PHE 71 2HB PHE 71 -6.078 1.356 -5.145 538 HB3 PHE 71 1HB PHE 71 -6.355 3.093 -5.201 539 HD1 PHE 71 2HD PHE 71 -7.655 3.690 -2.694 540 HD2 PHE 71 1HD PHE 71 -4.531 0.921 -3.519 541 HE1 PHE 71 2HE PHE 71 -6.889 3.864 -0.365 542 HE2 PHE 71 1HE PHE 71 -3.761 1.089 -1.187 543 HZ PHE 71 HZ PHE 71 -4.940 2.565 0.393 544 H SER 72 H SER 72 -8.138 3.232 -6.977 545 HA SER 72 HA SER 72 -10.356 4.977 -6.287 546 HB2 SER 72 2HB SER 72 -7.641 6.071 -7.086 547 HB3 SER 72 1HB SER 72 -9.114 7.023 -6.907 548 HG SER 72 HG SER 72 -8.604 5.514 -4.706 549 H ALA 73 H ALA 73 -11.651 5.078 -8.004 550 HA ALA 73 HA ALA 73 -11.185 3.507 -10.250 551 HB1 ALA 73 1HB ALA 73 -13.407 4.044 -9.408 552 HB2 ALA 73 2HB ALA 73 -13.263 4.407 -11.128 553 HB3 ALA 73 3HB ALA 73 -13.212 5.712 -9.945 554 H GLY 74 H GLY 74 -10.508 6.904 -9.774 555 HA2 GLY 74 2HA GLY 74 -9.888 7.198 -12.631 556 HA3 GLY 74 1HA GLY 74 -10.058 8.513 -11.479 557 H ALA 75 H ALA 75 -8.051 5.571 -11.776 558 HA ALA 75 HA ALA 75 -5.725 7.248 -11.084 559 HB1 ALA 75 1HB ALA 75 -6.342 5.782 -9.232 560 HB2 ALA 75 2HB ALA 75 -4.772 5.347 -9.904 561 HB3 ALA 75 3HB ALA 75 -6.195 4.380 -10.290 562 H ARG 76 H ARG 76 -3.637 6.327 -11.801 563 HA ARG 76 HA ARG 76 -3.844 5.531 -14.564 564 HB2 ARG 76 2HB ARG 76 -1.401 6.237 -12.926 565 HB3 ARG 76 1HB ARG 76 -1.433 5.991 -14.667 566 HG2 ARG 76 2HG ARG 76 -1.526 8.263 -14.595 567 HG3 ARG 76 1HG ARG 76 -3.249 7.887 -14.575 568 HD2 ARG 76 2HD ARG 76 -3.002 7.931 -12.008 569 HD3 ARG 76 1HD ARG 76 -1.488 8.782 -12.323 570 HE ARG 76 HE ARG 76 -3.992 9.778 -13.491 571 HH11 ARG 76 1HH1 ARG 76 -1.287 10.256 -11.297 572 HH12 ARG 76 2HH1 ARG 76 -1.662 11.929 -11.026 573 HH21 ARG 76 1HH2 ARG 76 -4.462 11.950 -13.131 574 HH22 ARG 76 2HH2 ARG 76 -3.468 12.890 -12.063 575 H ALA 77 H ALA 77 -3.022 3.662 -15.443 576 HA ALA 77 HA ALA 77 -2.693 1.456 -13.584 577 HB1 ALA 77 1HB ALA 77 -4.157 1.141 -15.503 578 HB2 ALA 77 2HB ALA 77 -2.781 0.038 -15.585 579 HB3 ALA 77 3HB ALA 77 -2.816 1.482 -16.598 580 H LEU 78 H LEU 78 -0.790 0.893 -12.867 581 HA LEU 78 HA LEU 78 1.680 1.862 -13.820 582 HB2 LEU 78 2HB LEU 78 0.819 -0.238 -11.881 583 HB3 LEU 78 1HB LEU 78 2.494 -0.206 -12.389 584 HG LEU 78 HG LEU 78 2.812 1.986 -11.461 585 HD11 LEU 78 1HD1 LEU 78 1.031 3.202 -10.308 586 HD12 LEU 78 2HD1 LEU 78 -0.132 1.973 -10.803 587 HD13 LEU 78 3HD1 LEU 78 0.651 2.984 -12.017 588 HD21 LEU 78 3HD2 LEU 78 2.376 1.526 -9.104 589 HD22 LEU 78 1HD2 LEU 78 2.983 0.096 -9.939 590 HD23 LEU 78 2HD2 LEU 78 1.266 0.234 -9.559 591 H SER 79 H SER 79 3.403 0.716 -14.883 592 HA SER 79 HA SER 79 2.493 -1.619 -16.389 593 HB2 SER 79 2HB SER 79 3.567 -0.536 -18.441 594 HB3 SER 79 1HB SER 79 2.033 0.138 -17.894 595 HG SER 79 HG SER 79 3.723 1.526 -16.570 596 H ASP 80 H ASP 80 3.822 -3.206 -16.421 597 HA ASP 80 HA ASP 80 5.673 -4.480 -16.528 598 HB2 ASP 80 2HB ASP 80 5.864 -3.315 -18.677 599 HB3 ASP 80 1HB ASP 80 6.841 -2.069 -17.908 600 H ALA 81 H ALA 81 7.793 -1.715 -16.371 601 HA ALA 81 HA ALA 81 9.384 -3.177 -14.578 602 HB1 ALA 81 1HB ALA 81 10.879 -1.260 -14.591 603 HB2 ALA 81 2HB ALA 81 9.621 -0.266 -15.321 604 HB3 ALA 81 3HB ALA 81 10.314 -1.611 -16.223 605 H GLU 82 H GLU 82 7.128 -0.535 -14.127 606 HA GLU 82 HA GLU 82 7.980 -0.016 -11.438 607 HB2 GLU 82 2HB GLU 82 6.114 1.567 -11.379 608 HB3 GLU 82 1HB GLU 82 7.099 1.786 -12.816 609 HG2 GLU 82 2HG GLU 82 5.340 0.239 -13.931 610 HG3 GLU 82 1HG GLU 82 4.334 0.719 -12.565 611 H THR 83 H THR 83 5.265 -1.696 -13.003 612 HA THR 83 HA THR 83 3.973 -2.486 -10.626 613 HB THR 83 HB THR 83 4.067 -4.209 -13.090 614 HG1 THR 83 1HG THR 83 2.072 -2.359 -13.115 615 HG21 THR 83 3HG2 THR 83 1.731 -4.636 -12.505 616 HG22 THR 83 1HG2 THR 83 1.861 -3.521 -11.145 617 HG23 THR 83 2HG2 THR 83 2.795 -5.017 -11.153 618 H LYS 84 H LYS 84 6.645 -3.861 -12.462 619 HA LYS 84 HA LYS 84 6.839 -6.352 -11.216 620 HB2 LYS 84 2HB LYS 84 8.024 -5.951 -13.242 621 HB3 LYS 84 1HB LYS 84 8.897 -4.596 -12.542 622 HG2 LYS 84 2HG LYS 84 10.153 -6.069 -11.125 623 HG3 LYS 84 1HG LYS 84 9.208 -7.460 -11.672 624 HD2 LYS 84 2HD LYS 84 10.023 -7.044 -13.975 625 HD3 LYS 84 1HD LYS 84 11.042 -5.749 -13.349 626 HE2 LYS 84 2HE LYS 84 12.225 -7.353 -11.944 627 HE3 LYS 84 1HE LYS 84 11.190 -8.647 -12.539 628 HZ1 LYS 84 3HZ LYS 84 13.040 -7.024 -14.192 629 HZ2 LYS 84 1HZ LYS 84 12.047 -8.267 -14.762 630 HZ3 LYS 84 2HZ LYS 84 13.309 -8.614 -13.691 631 H VAL 85 H VAL 85 8.787 -3.433 -10.523 632 HA VAL 85 HA VAL 85 10.046 -4.578 -8.260 633 HB VAL 85 HB VAL 85 11.110 -2.757 -9.427 634 HG11 VAL 85 1HG1 VAL 85 9.152 -1.585 -10.214 635 HG12 VAL 85 2HG1 VAL 85 10.228 -0.473 -9.366 636 HG13 VAL 85 3HG1 VAL 85 8.769 -1.068 -8.572 637 HG21 VAL 85 3HG2 VAL 85 11.635 -2.966 -7.061 638 HG22 VAL 85 1HG2 VAL 85 10.299 -1.892 -6.654 639 HG23 VAL 85 2HG2 VAL 85 11.680 -1.277 -7.562 640 H PHE 86 H PHE 86 7.080 -2.804 -8.700 641 HA PHE 86 HA PHE 86 6.550 -2.311 -5.958 642 HB2 PHE 86 2HB PHE 86 5.448 -0.981 -7.598 643 HB3 PHE 86 1HB PHE 86 4.818 -2.389 -8.428 644 HD1 PHE 86 1HD PHE 86 4.740 -1.466 -4.817 645 HD2 PHE 86 2HD PHE 86 2.528 -2.196 -8.374 646 HE1 PHE 86 1HE PHE 86 2.643 -1.208 -3.559 647 HE2 PHE 86 2HE PHE 86 0.428 -1.943 -7.122 648 HZ PHE 86 HZ PHE 86 0.482 -1.450 -4.712 649 H LEU 87 H LEU 87 5.878 -5.008 -8.136 650 HA LEU 87 HA LEU 87 4.259 -6.494 -6.349 651 HB2 LEU 87 2HB LEU 87 6.031 -7.349 -8.634 652 HB3 LEU 87 1HB LEU 87 5.056 -8.479 -7.718 653 HG LEU 87 HG LEU 87 3.967 -6.167 -9.327 654 HD11 LEU 87 1HD1 LEU 87 3.185 -7.892 -10.873 655 HD12 LEU 87 2HD1 LEU 87 4.021 -9.121 -9.923 656 HD13 LEU 87 3HD1 LEU 87 4.944 -7.872 -10.759 657 HD21 LEU 87 3HD2 LEU 87 2.615 -8.413 -7.837 658 HD22 LEU 87 1HD2 LEU 87 1.806 -7.342 -8.981 659 HD23 LEU 87 2HD2 LEU 87 2.500 -6.686 -7.500 660 H LYS 88 H LYS 88 7.728 -6.517 -7.030 661 HA LYS 88 HA LYS 88 8.323 -8.635 -5.241 662 HB2 LYS 88 2HB LYS 88 9.690 -7.967 -7.207 663 HB3 LYS 88 1HB LYS 88 10.209 -6.540 -6.322 664 HG2 LYS 88 2HG LYS 88 11.913 -8.229 -6.195 665 HG3 LYS 88 1HG LYS 88 11.179 -8.038 -4.599 666 HD2 LYS 88 2HD LYS 88 9.837 -10.010 -4.926 667 HD3 LYS 88 1HD LYS 88 10.393 -10.154 -6.594 668 HE2 LYS 88 2HE LYS 88 11.545 -11.745 -5.150 669 HE3 LYS 88 1HE LYS 88 12.673 -10.554 -5.795 670 HZ1 LYS 88 3HZ LYS 88 11.461 -10.432 -3.086 671 HZ2 LYS 88 1HZ LYS 88 12.641 -9.393 -3.709 672 HZ3 LYS 88 2HZ LYS 88 13.010 -11.018 -3.420 673 H ALA 89 H ALA 89 7.791 -5.284 -4.780 674 HA ALA 89 HA ALA 89 9.209 -4.803 -2.411 675 HB1 ALA 89 1HB ALA 89 6.502 -3.728 -3.208 676 HB2 ALA 89 2HB ALA 89 8.058 -3.035 -3.667 677 HB3 ALA 89 3HB ALA 89 7.562 -3.052 -1.973 678 H GLY 90 H GLY 90 6.403 -6.667 -3.096 679 HA2 GLY 90 2HA GLY 90 5.993 -7.113 -0.202 680 HA3 GLY 90 1HA GLY 90 4.675 -7.110 -1.369 681 H ASP 91 H ASP 91 5.325 -8.638 -3.349 682 HA ASP 91 HA ASP 91 5.201 -11.271 -2.325 683 HB2 ASP 91 2HB ASP 91 4.342 -10.381 -4.576 684 HB3 ASP 91 1HB ASP 91 5.996 -10.612 -5.145 685 H SER 92 H SER 92 6.898 -12.265 -1.374 686 HA SER 92 HA SER 92 9.554 -11.201 -1.868 687 HB2 SER 92 2HB SER 92 10.184 -12.676 0.072 688 HB3 SER 92 1HB SER 92 8.946 -11.479 0.446 689 HG SER 92 HG SER 92 7.377 -13.179 0.087 690 H ASP 93 H ASP 93 7.645 -13.948 -2.605 691 HA ASP 93 HA ASP 93 9.921 -15.605 -3.288 692 HB2 ASP 93 2HB ASP 93 8.305 -17.309 -3.892 693 HB3 ASP 93 1HB ASP 93 7.885 -16.617 -2.332 694 H GLY 94 H GLY 94 7.735 -13.456 -4.899 695 HA2 GLY 94 2HA GLY 94 8.143 -12.338 -6.880 696 HA3 GLY 94 1HA GLY 94 9.555 -13.352 -7.126 697 H ASP 95 H ASP 95 6.126 -14.237 -6.737 698 HA ASP 95 HA ASP 95 6.440 -15.875 -9.149 699 HB2 ASP 95 2HB ASP 95 4.592 -17.204 -8.391 700 HB3 ASP 95 1HB ASP 95 5.701 -16.986 -7.046 701 H GLY 96 H GLY 96 5.755 -12.890 -8.935 702 HA2 GLY 96 2HA GLY 96 4.820 -11.560 -10.588 703 HA3 GLY 96 1HA GLY 96 4.088 -12.996 -11.283 704 H LYS 97 H LYS 97 3.636 -12.080 -7.950 705 HA LYS 97 HA LYS 97 0.961 -10.983 -8.475 706 HB2 LYS 97 2HB LYS 97 -0.147 -12.529 -7.023 707 HB3 LYS 97 1HB LYS 97 0.758 -13.497 -8.180 708 HG2 LYS 97 2HG LYS 97 2.102 -14.360 -6.608 709 HG3 LYS 97 1HG LYS 97 2.189 -12.858 -5.669 710 HD2 LYS 97 2HD LYS 97 1.065 -14.555 -4.379 711 HD3 LYS 97 1HD LYS 97 -0.113 -13.333 -4.856 712 HE2 LYS 97 2HE LYS 97 -0.997 -14.746 -6.561 713 HE3 LYS 97 1HE LYS 97 0.314 -15.906 -6.356 714 HZ1 LYS 97 3HZ LYS 97 -1.647 -16.724 -5.288 715 HZ2 LYS 97 1HZ LYS 97 -1.825 -15.299 -4.389 716 HZ3 LYS 97 2HZ LYS 97 -0.517 -16.328 -4.097 717 H ILE 98 H ILE 98 -0.034 -10.380 -6.360 718 HA ILE 98 HA ILE 98 2.012 -9.691 -4.373 719 HB ILE 98 HB ILE 98 -0.573 -8.354 -5.098 720 HG12 ILE 98 2HG1 ILE 98 1.473 -7.541 -6.154 721 HG13 ILE 98 1HG1 ILE 98 0.822 -6.334 -5.054 722 HG21 ILE 98 1HG2 ILE 98 -0.695 -8.720 -2.704 723 HG22 ILE 98 2HG2 ILE 98 -0.424 -7.014 -3.056 724 HG23 ILE 98 3HG2 ILE 98 0.912 -8.023 -2.503 725 HD11 ILE 98 3HD1 ILE 98 2.468 -7.163 -3.347 726 HD12 ILE 98 1HD1 ILE 98 3.156 -6.346 -4.750 727 HD13 ILE 98 2HD1 ILE 98 3.209 -8.103 -4.643 728 H GLY 99 H GLY 99 2.036 -11.445 -3.076 729 HA2 GLY 99 2HA GLY 99 -0.221 -12.842 -2.164 730 HA3 GLY 99 1HA GLY 99 1.301 -12.684 -1.286 731 H VAL 100 H VAL 100 -1.672 -12.405 -0.570 732 HA VAL 100 HA VAL 100 -2.261 -9.766 0.055 733 HB VAL 100 HB VAL 100 -3.119 -12.405 1.113 734 HG11 VAL 100 1HG1 VAL 100 -4.001 -9.773 2.277 735 HG12 VAL 100 2HG1 VAL 100 -3.097 -11.035 3.115 736 HG13 VAL 100 3HG1 VAL 100 -4.756 -11.334 2.593 737 HG21 VAL 100 3HG2 VAL 100 -5.282 -11.652 0.220 738 HG22 VAL 100 1HG2 VAL 100 -4.005 -11.608 -0.997 739 HG23 VAL 100 2HG2 VAL 100 -4.542 -10.115 -0.229 740 H ASP 101 H ASP 101 -0.671 -12.231 2.057 741 HA ASP 101 HA ASP 101 -0.116 -10.465 4.216 742 HB2 ASP 101 2HB ASP 101 -0.171 -12.918 4.457 743 HB3 ASP 101 1HB ASP 101 1.254 -13.046 3.433 744 H GLU 102 H GLU 102 1.533 -11.379 1.284 745 HA GLU 102 HA GLU 102 4.064 -10.280 1.740 746 HB2 GLU 102 2HB GLU 102 2.533 -10.427 -0.871 747 HB3 GLU 102 1HB GLU 102 4.265 -10.187 -0.714 748 HG2 GLU 102 2HG GLU 102 2.800 -12.648 0.213 749 HG3 GLU 102 1HG GLU 102 3.606 -12.492 -1.345 750 H PHE 103 H PHE 103 1.088 -8.810 0.476 751 HA PHE 103 HA PHE 103 2.230 -6.305 -0.186 752 HB2 PHE 103 2HB PHE 103 -0.021 -7.249 -0.957 753 HB3 PHE 103 1HB PHE 103 -0.654 -6.711 0.593 754 HD1 PHE 103 1HD PHE 103 1.130 -5.493 -2.425 755 HD2 PHE 103 2HD PHE 103 -1.408 -4.526 0.845 756 HE1 PHE 103 1HE PHE 103 0.793 -3.246 -3.361 757 HE2 PHE 103 2HE PHE 103 -1.753 -2.274 -0.088 758 HZ PHE 103 HZ PHE 103 -0.652 -1.631 -2.192 759 H GLY 104 H GLY 104 0.472 -7.439 2.679 760 HA2 GLY 104 2HA GLY 104 0.394 -5.048 4.112 761 HA3 GLY 104 1HA GLY 104 0.453 -6.650 4.837 762 H ALA 105 H ALA 105 2.993 -7.341 3.665 763 HA ALA 105 HA ALA 105 4.734 -6.314 5.642 764 HB1 ALA 105 1HB ALA 105 5.401 -7.822 3.119 765 HB2 ALA 105 2HB ALA 105 4.998 -8.543 4.677 766 HB3 ALA 105 3HB ALA 105 6.470 -7.586 4.501 767 H MET 106 H MET 106 4.108 -5.371 2.297 768 HA MET 106 HA MET 106 6.474 -3.709 2.198 769 HB2 MET 106 2HB MET 106 6.121 -3.530 -0.029 770 HB3 MET 106 1HB MET 106 5.032 -4.883 0.227 771 HG2 MET 106 2HG MET 106 3.138 -3.501 0.182 772 HG3 MET 106 1HG MET 106 4.097 -2.037 0.365 773 HE1 MET 106 3HE MET 106 2.926 -4.890 -1.966 774 HE2 MET 106 1HE MET 106 4.669 -5.139 -2.069 775 HE3 MET 106 2HE MET 106 3.775 -4.559 -3.476 776 H ILE 107 H ILE 107 3.208 -3.372 3.191 777 HA ILE 107 HA ILE 107 3.064 -0.509 2.924 778 HB ILE 107 HB ILE 107 1.388 -2.345 4.661 779 HG12 ILE 107 2HG1 ILE 107 0.811 -1.287 1.884 780 HG13 ILE 107 1HG1 ILE 107 1.298 -2.940 2.251 781 HG21 ILE 107 1HG2 ILE 107 1.265 -0.022 5.339 782 HG22 ILE 107 2HG2 ILE 107 -0.251 -0.531 4.600 783 HG23 ILE 107 3HG2 ILE 107 0.885 0.461 3.687 784 HD11 ILE 107 3HD1 ILE 107 -1.214 -1.590 3.205 785 HD12 ILE 107 1HD1 ILE 107 -0.730 -3.248 3.563 786 HD13 ILE 107 2HD1 ILE 107 -1.096 -2.775 1.904 787 H LYS 108 H LYS 108 3.829 -2.859 5.354 788 HA LYS 108 HA LYS 108 4.296 -0.904 7.428 789 HB2 LYS 108 2HB LYS 108 3.348 -3.022 8.043 790 HB3 LYS 108 1HB LYS 108 4.639 -3.900 7.244 791 HG2 LYS 108 2HG LYS 108 5.277 -2.080 9.525 792 HG3 LYS 108 1HG LYS 108 4.597 -3.676 9.835 793 HD2 LYS 108 2HD LYS 108 7.082 -3.157 8.208 794 HD3 LYS 108 1HD LYS 108 7.076 -3.617 9.911 795 HE2 LYS 108 2HE LYS 108 6.004 -5.722 9.373 796 HE3 LYS 108 1HE LYS 108 5.882 -5.255 7.677 797 HZ1 LYS 108 3HZ LYS 108 7.746 -6.727 8.027 798 HZ2 LYS 108 1HZ LYS 108 8.401 -5.680 9.183 799 HZ3 LYS 108 2HZ LYS 108 8.300 -5.193 7.565 800 H ALA 109 H ALA 109 6.059 -2.623 5.017 801 HA ALA 109 HA ALA 109 8.191 -2.616 4.291 802 HB1 ALA 109 1HB ALA 109 9.544 -0.628 4.635 803 HB2 ALA 109 2HB ALA 109 8.459 -0.088 5.915 804 HB3 ALA 109 3HB ALA 109 7.881 -0.181 4.252 Start of MODEL 4 1 H1 MET 1 1HT MET 1 -19.535 9.443 -4.286 2 H2 MET 1 2HT MET 1 -20.857 8.580 -4.875 3 H3 MET 1 3HT MET 1 -19.391 8.556 -5.717 4 HA MET 1 HA MET 1 -19.863 7.436 -3.022 5 HB2 MET 1 2HB MET 1 -19.414 6.103 -5.699 6 HB3 MET 1 1HB MET 1 -19.391 5.261 -4.157 7 HG2 MET 1 2HG MET 1 -21.742 6.736 -5.318 8 HG3 MET 1 1HG MET 1 -21.517 4.988 -5.313 9 HE1 MET 1 2HE MET 1 -24.133 6.428 -4.208 10 HE2 MET 1 3HE MET 1 -24.412 5.530 -2.716 11 HE3 MET 1 1HE MET 1 -23.916 4.678 -4.178 12 H ALA 2 H ALA 2 -18.055 6.397 -2.097 13 HA ALA 2 HA ALA 2 -15.458 7.020 -3.325 14 HB1 ALA 2 1HB ALA 2 -15.909 8.751 -1.662 15 HB2 ALA 2 2HB ALA 2 -14.585 7.710 -1.140 16 HB3 ALA 2 3HB ALA 2 -16.191 7.514 -0.438 17 H PHE 3 H PHE 3 -13.682 5.788 -2.221 18 HA PHE 3 HA PHE 3 -14.528 3.032 -1.918 19 HB2 PHE 3 2HB PHE 3 -11.744 4.225 -1.958 20 HB3 PHE 3 1HB PHE 3 -12.134 2.511 -2.053 21 HD1 PHE 3 2HD PHE 3 -12.208 5.716 -3.841 22 HD2 PHE 3 1HD PHE 3 -12.907 1.526 -4.096 23 HE1 PHE 3 2HE PHE 3 -12.341 5.891 -6.290 24 HE2 PHE 3 1HE PHE 3 -13.037 1.694 -6.547 25 HZ PHE 3 HZ PHE 3 -12.756 3.879 -7.646 26 H ALA 4 H ALA 4 -15.530 4.314 0.129 27 HA ALA 4 HA ALA 4 -15.751 4.354 2.377 28 HB1 ALA 4 1HB ALA 4 -13.282 2.626 2.447 29 HB2 ALA 4 2HB ALA 4 -14.945 2.047 2.364 30 HB3 ALA 4 3HB ALA 4 -14.385 2.920 3.791 31 H GLY 5 H GLY 5 -15.194 5.713 4.015 32 HA2 GLY 5 2HA GLY 5 -13.314 7.776 3.432 33 HA3 GLY 5 1HA GLY 5 -14.227 7.593 4.926 34 H ILE 6 H ILE 6 -12.695 4.742 4.409 35 HA ILE 6 HA ILE 6 -10.669 4.922 6.301 36 HB ILE 6 HB ILE 6 -10.882 3.174 3.843 37 HG12 ILE 6 2HG1 ILE 6 -11.480 2.593 6.751 38 HG13 ILE 6 1HG1 ILE 6 -12.688 2.935 5.518 39 HG21 ILE 6 1HG2 ILE 6 -9.017 2.883 6.193 40 HG22 ILE 6 2HG2 ILE 6 -8.559 3.295 4.540 41 HG23 ILE 6 3HG2 ILE 6 -9.232 1.705 4.898 42 HD11 ILE 6 3HD1 ILE 6 -12.533 0.561 5.954 43 HD12 ILE 6 1HD1 ILE 6 -10.815 0.584 5.560 44 HD13 ILE 6 2HD1 ILE 6 -12.010 0.926 4.310 45 H LEU 7 H LEU 7 -10.735 5.631 2.871 46 HA LEU 7 HA LEU 7 -8.114 6.927 3.138 47 HB2 LEU 7 2HB LEU 7 -7.664 6.374 0.794 48 HB3 LEU 7 1HB LEU 7 -7.831 4.940 1.791 49 HG LEU 7 HG LEU 7 -10.339 5.060 0.896 50 HD11 LEU 7 1HD1 LEU 7 -10.409 5.753 -1.439 51 HD12 LEU 7 2HD1 LEU 7 -8.751 6.342 -1.319 52 HD13 LEU 7 3HD1 LEU 7 -10.031 7.110 -0.379 53 HD21 LEU 7 3HD2 LEU 7 -8.019 3.972 -0.684 54 HD22 LEU 7 1HD2 LEU 7 -9.703 3.475 -0.845 55 HD23 LEU 7 2HD2 LEU 7 -8.833 3.168 0.657 56 H ASN 8 H ASN 8 -7.808 8.783 1.800 57 HA ASN 8 HA ASN 8 -10.322 10.087 1.001 58 HB2 ASN 8 2HB ASN 8 -7.554 11.147 1.603 59 HB3 ASN 8 1HB ASN 8 -8.771 12.124 0.794 60 HD21 ASN 8 1HD2 ASN 8 -9.516 9.816 3.323 61 HD22 ASN 8 2HD2 ASN 8 -9.959 10.987 4.515 62 H ASP 9 H ASP 9 -10.784 10.113 -1.109 63 HA ASP 9 HA ASP 9 -9.230 8.915 -3.083 64 HB2 ASP 9 2HB ASP 9 -11.592 9.273 -3.438 65 HB3 ASP 9 1HB ASP 9 -11.389 11.017 -3.336 66 H ALA 10 H ALA 10 -9.214 12.156 -1.849 67 HA ALA 10 HA ALA 10 -7.624 13.304 -3.926 68 HB1 ALA 10 1HB ALA 10 -9.090 14.657 -2.533 69 HB2 ALA 10 2HB ALA 10 -7.420 15.200 -2.384 70 HB3 ALA 10 3HB ALA 10 -8.151 14.230 -1.104 71 H ASP 11 H ASP 11 -6.917 11.676 -0.873 72 HA ASP 11 HA ASP 11 -4.170 12.564 -0.875 73 HB2 ASP 11 2HB ASP 11 -4.039 11.793 1.268 74 HB3 ASP 11 1HB ASP 11 -5.791 11.865 1.139 75 H ILE 12 H ILE 12 -5.930 9.614 -1.495 76 HA ILE 12 HA ILE 12 -3.782 7.996 -2.274 77 HB ILE 12 HB ILE 12 -6.696 8.031 -2.783 78 HG12 ILE 12 2HG1 ILE 12 -6.554 5.749 -1.962 79 HG13 ILE 12 1HG1 ILE 12 -4.800 5.788 -2.068 80 HG21 ILE 12 1HG2 ILE 12 -4.828 6.407 -4.507 81 HG22 ILE 12 2HG2 ILE 12 -5.933 7.670 -5.049 82 HG23 ILE 12 3HG2 ILE 12 -6.570 6.162 -4.392 83 HD11 ILE 12 3HD1 ILE 12 -6.448 7.516 -0.247 84 HD12 ILE 12 1HD1 ILE 12 -4.690 7.409 -0.299 85 HD13 ILE 12 2HD1 ILE 12 -5.641 6.018 0.222 86 H THR 13 H THR 13 -5.771 10.227 -4.207 87 HA THR 13 HA THR 13 -4.440 9.800 -6.653 88 HB THR 13 HB THR 13 -5.964 12.237 -5.699 89 HG1 THR 13 1HG THR 13 -7.329 10.479 -5.761 90 HG21 THR 13 3HG2 THR 13 -5.241 11.421 -8.518 91 HG22 THR 13 1HG2 THR 13 -4.524 12.761 -7.621 92 HG23 THR 13 2HG2 THR 13 -6.233 12.804 -8.048 93 H ALA 14 H ALA 14 -3.745 11.881 -3.915 94 HA ALA 14 HA ALA 14 -1.885 13.593 -5.121 95 HB1 ALA 14 1HB ALA 14 -1.941 12.632 -2.264 96 HB2 ALA 14 2HB ALA 14 -2.850 13.998 -2.909 97 HB3 ALA 14 3HB ALA 14 -1.088 14.050 -2.869 98 H ALA 15 H ALA 15 -1.413 10.467 -3.480 99 HA ALA 15 HA ALA 15 1.404 10.439 -3.883 100 HB1 ALA 15 1HB ALA 15 0.354 9.107 -2.130 101 HB2 ALA 15 2HB ALA 15 1.305 8.095 -3.222 102 HB3 ALA 15 3HB ALA 15 -0.455 8.127 -3.352 103 H LEU 16 H LEU 16 -1.341 9.160 -5.702 104 HA LEU 16 HA LEU 16 0.225 7.750 -7.604 105 HB2 LEU 16 2HB LEU 16 -2.609 8.781 -7.741 106 HB3 LEU 16 1HB LEU 16 -1.871 7.790 -8.983 107 HG LEU 16 HG LEU 16 -2.176 6.917 -6.113 108 HD11 LEU 16 1HD1 LEU 16 -4.022 5.532 -6.910 109 HD12 LEU 16 2HD1 LEU 16 -3.893 6.280 -8.501 110 HD13 LEU 16 3HD1 LEU 16 -4.366 7.250 -7.107 111 HD21 LEU 16 3HD2 LEU 16 -0.385 5.790 -7.309 112 HD22 LEU 16 1HD2 LEU 16 -1.484 5.417 -8.637 113 HD23 LEU 16 2HD2 LEU 16 -1.738 4.689 -7.051 114 H ALA 17 H ALA 17 -0.678 11.065 -7.255 115 HA ALA 17 HA ALA 17 0.061 11.845 -9.916 116 HB1 ALA 17 1HB ALA 17 -0.245 13.513 -7.419 117 HB2 ALA 17 2HB ALA 17 -1.512 13.175 -8.598 118 HB3 ALA 17 3HB ALA 17 -0.106 14.129 -9.065 119 H ALA 18 H ALA 18 1.655 11.451 -6.844 120 HA ALA 18 HA ALA 18 4.057 12.829 -7.543 121 HB1 ALA 18 1HB ALA 18 3.561 10.758 -5.401 122 HB2 ALA 18 2HB ALA 18 3.416 12.505 -5.209 123 HB3 ALA 18 3HB ALA 18 4.990 11.782 -5.533 124 H CYS 19 H CYS 19 2.842 9.577 -7.872 125 HA CYS 19 HA CYS 19 5.396 8.709 -9.018 126 HB2 CYS 19 2HB CYS 19 4.438 6.437 -8.923 127 HB3 CYS 19 1HB CYS 19 4.447 7.214 -7.344 128 HG CYS 19 HG CYS 19 1.663 7.145 -9.319 129 H LYS 20 H LYS 20 3.314 10.515 -10.277 130 HA LYS 20 HA LYS 20 2.129 9.062 -12.410 131 HB2 LYS 20 2HB LYS 20 1.301 11.253 -11.574 132 HB3 LYS 20 1HB LYS 20 2.743 12.017 -12.225 133 HG2 LYS 20 2HG LYS 20 2.090 11.352 -14.471 134 HG3 LYS 20 1HG LYS 20 0.652 10.568 -13.823 135 HD2 LYS 20 2HD LYS 20 0.069 12.748 -14.705 136 HD3 LYS 20 1HD LYS 20 -0.112 12.745 -12.951 137 HE2 LYS 20 2HE LYS 20 2.039 13.867 -12.717 138 HE3 LYS 20 1HE LYS 20 2.262 13.832 -14.464 139 HZ1 LYS 20 3HZ LYS 20 1.466 15.981 -13.730 140 HZ2 LYS 20 1HZ LYS 20 0.109 15.271 -13.019 141 HZ3 LYS 20 2HZ LYS 20 0.299 15.231 -14.696 142 H ALA 21 H ALA 21 5.138 10.784 -11.962 143 HA ALA 21 HA ALA 21 5.994 10.514 -14.691 144 HB1 ALA 21 1HB ALA 21 7.559 11.229 -12.215 145 HB2 ALA 21 2HB ALA 21 6.770 12.368 -13.303 146 HB3 ALA 21 3HB ALA 21 8.122 11.393 -13.876 147 H GLU 22 H GLU 22 7.316 8.972 -15.560 148 HA GLU 22 HA GLU 22 7.390 6.430 -14.357 149 HB2 GLU 22 2HB GLU 22 8.806 5.759 -16.234 150 HB3 GLU 22 1HB GLU 22 7.436 6.714 -16.784 151 HG2 GLU 22 2HG GLU 22 8.848 8.653 -17.047 152 HG3 GLU 22 1HG GLU 22 10.226 7.771 -16.388 153 H GLY 23 H GLY 23 8.843 5.437 -13.094 154 HA2 GLY 23 2HA GLY 23 10.918 5.088 -12.050 155 HA3 GLY 23 1HA GLY 23 11.469 6.634 -12.679 156 H SER 24 H SER 24 8.827 7.794 -11.684 157 HA SER 24 HA SER 24 9.863 8.491 -9.062 158 HB2 SER 24 2HB SER 24 9.038 10.226 -10.676 159 HB3 SER 24 1HB SER 24 7.415 9.567 -10.493 160 HG SER 24 HG SER 24 7.234 10.504 -8.609 161 H PHE 25 H PHE 25 8.428 5.897 -9.913 162 HA PHE 25 HA PHE 25 6.134 5.819 -8.184 163 HB2 PHE 25 2HB PHE 25 7.630 3.675 -9.690 164 HB3 PHE 25 1HB PHE 25 6.252 3.333 -8.648 165 HD1 PHE 25 1HD PHE 25 7.338 5.009 -11.746 166 HD2 PHE 25 2HD PHE 25 4.031 3.772 -9.370 167 HE1 PHE 25 1HE PHE 25 5.819 5.449 -13.633 168 HE2 PHE 25 2HE PHE 25 2.509 4.210 -11.252 169 HZ PHE 25 HZ PHE 25 3.403 5.049 -13.387 170 H ASP 26 H ASP 26 6.746 6.259 -6.120 171 HA ASP 26 HA ASP 26 8.715 4.437 -4.923 172 HB2 ASP 26 2HB ASP 26 7.659 7.115 -4.021 173 HB3 ASP 26 1HB ASP 26 8.557 6.048 -2.948 174 H HIS 27 H HIS 27 7.436 2.643 -4.675 175 HA HIS 27 HA HIS 27 4.832 2.520 -3.788 176 HB2 HIS 27 2HB HIS 27 5.126 0.228 -3.459 177 HB3 HIS 27 1HB HIS 27 6.406 0.606 -4.599 178 HD1 HIS 27 1HD HIS 27 5.792 -0.911 -1.349 179 HD2 HIS 27 2HD HIS 27 9.045 0.762 -3.326 180 HE1 HIS 27 1HE HIS 27 7.820 -1.671 -0.074 181 HE2 HIS 27 2HE HIS 27 9.777 -0.627 -1.269 182 H LYS 28 H LYS 28 7.721 2.978 -1.961 183 HA LYS 28 HA LYS 28 6.545 2.432 0.591 184 HB2 LYS 28 2HB LYS 28 8.930 2.102 -0.013 185 HB3 LYS 28 1HB LYS 28 9.086 3.851 -0.130 186 HG2 LYS 28 2HG LYS 28 8.796 4.165 2.174 187 HG3 LYS 28 1HG LYS 28 8.170 2.533 2.400 188 HD2 LYS 28 2HD LYS 28 10.364 1.606 1.881 189 HD3 LYS 28 1HD LYS 28 10.994 3.230 1.600 190 HE2 LYS 28 2HE LYS 28 11.580 2.337 3.827 191 HE3 LYS 28 1HE LYS 28 10.633 3.818 3.907 192 HZ1 LYS 28 3HZ LYS 28 9.610 1.054 4.309 193 HZ2 LYS 28 1HZ LYS 28 8.658 2.456 4.320 194 HZ3 LYS 28 2HZ LYS 28 9.835 2.227 5.507 195 H ALA 29 H ALA 29 7.644 5.365 -1.108 196 HA ALA 29 HA ALA 29 6.791 7.228 0.797 197 HB1 ALA 29 1HB ALA 29 8.287 7.779 -1.082 198 HB2 ALA 29 2HB ALA 29 6.921 8.886 -0.958 199 HB3 ALA 29 3HB ALA 29 6.922 7.623 -2.188 200 H PHE 30 H PHE 30 5.108 5.568 -1.776 201 HA PHE 30 HA PHE 30 2.684 6.917 -1.805 202 HB2 PHE 30 2HB PHE 30 3.319 5.092 -3.353 203 HB3 PHE 30 1HB PHE 30 3.160 3.934 -2.039 204 HD1 PHE 30 2HD PHE 30 1.388 6.064 -4.406 205 HD2 PHE 30 1HD PHE 30 0.974 3.255 -1.238 206 HE1 PHE 30 2HE PHE 30 -0.979 5.758 -4.990 207 HE2 PHE 30 1HE PHE 30 -1.395 2.942 -1.821 208 HZ PHE 30 HZ PHE 30 -2.373 4.197 -3.700 209 H PHE 31 H PHE 31 3.586 4.091 0.181 210 HA PHE 31 HA PHE 31 1.165 3.990 1.613 211 HB2 PHE 31 2HB PHE 31 3.883 2.924 2.385 212 HB3 PHE 31 1HB PHE 31 2.370 2.501 3.177 213 HD1 PHE 31 2HD PHE 31 0.537 2.104 0.972 214 HD2 PHE 31 1HD PHE 31 4.640 1.036 1.307 215 HE1 PHE 31 2HE PHE 31 0.198 0.299 -0.665 216 HE2 PHE 31 1HE PHE 31 4.309 -0.767 -0.329 217 HZ PHE 31 HZ PHE 31 2.084 -1.138 -1.319 218 H THR 32 H THR 32 4.239 5.587 2.373 219 HA THR 32 HA THR 32 3.320 6.349 4.977 220 HB THR 32 HB THR 32 5.669 6.027 4.753 221 HG1 THR 32 1HG THR 32 5.046 8.797 5.027 222 HG21 THR 32 3HG2 THR 32 5.585 8.133 2.600 223 HG22 THR 32 1HG2 THR 32 6.020 6.432 2.416 224 HG23 THR 32 2HG2 THR 32 7.067 7.518 3.331 225 H LYS 33 H LYS 33 3.006 7.692 1.830 226 HA LYS 33 HA LYS 33 2.544 10.387 2.729 227 HB2 LYS 33 2HB LYS 33 3.433 9.788 0.475 228 HB3 LYS 33 1HB LYS 33 1.850 9.149 0.067 229 HG2 LYS 33 2HG LYS 33 0.856 11.327 0.301 230 HG3 LYS 33 1HG LYS 33 2.382 12.001 0.863 231 HD2 LYS 33 2HD LYS 33 1.884 10.810 -1.863 232 HD3 LYS 33 1HD LYS 33 1.960 12.532 -1.493 233 HE2 LYS 33 2HE LYS 33 4.197 10.528 -1.208 234 HE3 LYS 33 1HE LYS 33 4.065 11.787 -2.433 235 HZ1 LYS 33 3HZ LYS 33 4.176 13.443 -0.653 236 HZ2 LYS 33 1HZ LYS 33 5.557 12.468 -0.690 237 HZ3 LYS 33 2HZ LYS 33 4.376 12.212 0.491 238 H VAL 34 H VAL 34 0.491 7.749 1.486 239 HA VAL 34 HA VAL 34 -1.945 9.168 1.918 240 HB VAL 34 HB VAL 34 -2.998 7.054 1.367 241 HG11 VAL 34 1HG1 VAL 34 -2.050 6.700 -0.861 242 HG12 VAL 34 2HG1 VAL 34 -0.618 7.610 -0.377 243 HG13 VAL 34 3HG1 VAL 34 -2.186 8.414 -0.464 244 HG21 VAL 34 3HG2 VAL 34 -0.251 5.839 1.417 245 HG22 VAL 34 1HG2 VAL 34 -1.740 5.024 0.933 246 HG23 VAL 34 2HG2 VAL 34 -1.523 5.550 2.603 247 H GLY 35 H GLY 35 0.196 7.531 3.987 248 HA2 GLY 35 2HA GLY 35 0.045 7.426 6.311 249 HA3 GLY 35 1HA GLY 35 -1.662 7.825 6.194 250 H LEU 36 H LEU 36 -0.469 5.272 4.213 251 HA LEU 36 HA LEU 36 -2.230 3.420 5.580 252 HB2 LEU 36 2HB LEU 36 -1.993 3.673 3.048 253 HB3 LEU 36 1HB LEU 36 -0.472 2.817 3.212 254 HG LEU 36 HG LEU 36 -1.708 0.893 4.190 255 HD11 LEU 36 1HD1 LEU 36 -3.636 2.143 5.042 256 HD12 LEU 36 2HD1 LEU 36 -4.130 0.815 3.997 257 HD13 LEU 36 3HD1 LEU 36 -4.152 2.468 3.388 258 HD21 LEU 36 3HD2 LEU 36 -2.671 0.132 2.083 259 HD22 LEU 36 1HD2 LEU 36 -1.136 0.955 1.814 260 HD23 LEU 36 2HD2 LEU 36 -2.654 1.784 1.467 261 H ALA 37 H ALA 37 0.765 4.383 6.238 262 HA ALA 37 HA ALA 37 1.682 1.746 7.102 263 HB1 ALA 37 1HB ALA 37 3.312 3.347 6.154 264 HB2 ALA 37 2HB ALA 37 3.709 2.884 7.810 265 HB3 ALA 37 3HB ALA 37 2.974 4.455 7.485 266 H ALA 38 H ALA 38 -0.326 4.209 8.150 267 HA ALA 38 HA ALA 38 0.067 3.506 10.987 268 HB1 ALA 38 1HB ALA 38 0.704 5.819 10.527 269 HB2 ALA 38 2HB ALA 38 -0.718 5.742 11.567 270 HB3 ALA 38 3HB ALA 38 -0.897 6.129 9.856 271 H LYS 39 H LYS 39 -1.665 2.386 8.838 272 HA LYS 39 HA LYS 39 -4.377 3.044 9.413 273 HB2 LYS 39 2HB LYS 39 -4.607 0.689 8.175 274 HB3 LYS 39 1HB LYS 39 -4.237 2.179 7.312 275 HG2 LYS 39 2HG LYS 39 -2.837 0.296 6.613 276 HG3 LYS 39 1HG LYS 39 -1.901 1.633 7.271 277 HD2 LYS 39 2HD LYS 39 -1.830 0.406 9.452 278 HD3 LYS 39 1HD LYS 39 -2.587 -0.967 8.640 279 HE2 LYS 39 2HE LYS 39 -0.730 -1.173 7.137 280 HE3 LYS 39 1HE LYS 39 -0.012 0.316 7.756 281 HZ1 LYS 39 3HZ LYS 39 0.272 -0.788 9.907 282 HZ2 LYS 39 1HZ LYS 39 1.071 -1.636 8.680 283 HZ3 LYS 39 2HZ LYS 39 -0.397 -2.210 9.283 284 H SER 40 H SER 40 -5.946 1.277 9.984 285 HA SER 40 HA SER 40 -4.954 -0.371 12.209 286 HB2 SER 40 2HB SER 40 -7.808 0.311 11.427 287 HB3 SER 40 1HB SER 40 -7.293 -0.497 12.906 288 HG SER 40 HG SER 40 -6.030 1.896 12.507 289 HA PRO 41 HA PRO 41 -5.189 -4.268 10.157 290 HB2 PRO 41 2HB PRO 41 -7.423 -5.409 11.513 291 HB3 PRO 41 1HB PRO 41 -5.709 -5.687 11.820 292 HG2 PRO 41 2HG PRO 41 -7.606 -3.881 13.196 293 HG3 PRO 41 1HG PRO 41 -6.143 -4.664 13.815 294 HD2 PRO 41 2HD PRO 41 -6.220 -2.037 13.294 295 HD3 PRO 41 1HD PRO 41 -4.757 -2.997 12.997 296 H ALA 42 H ALA 42 -8.501 -3.041 10.760 297 HA ALA 42 HA ALA 42 -9.688 -4.485 8.643 298 HB1 ALA 42 1HB ALA 42 -10.663 -1.967 9.981 299 HB2 ALA 42 2HB ALA 42 -10.987 -3.617 10.512 300 HB3 ALA 42 3HB ALA 42 -11.628 -3.044 8.973 301 H ASP 43 H ASP 43 -8.113 -1.366 8.764 302 HA ASP 43 HA ASP 43 -9.055 -0.396 6.265 303 HB2 ASP 43 2HB ASP 43 -6.448 0.297 7.638 304 HB3 ASP 43 1HB ASP 43 -7.267 1.244 6.403 305 H ILE 44 H ILE 44 -6.206 -2.171 7.310 306 HA ILE 44 HA ILE 44 -5.048 -2.368 4.723 307 HB ILE 44 HB ILE 44 -4.547 -3.638 7.374 308 HG12 ILE 44 2HG1 ILE 44 -3.564 -1.493 6.948 309 HG13 ILE 44 1HG1 ILE 44 -2.288 -2.705 6.992 310 HG21 ILE 44 1HG2 ILE 44 -4.312 -5.518 5.853 311 HG22 ILE 44 2HG2 ILE 44 -2.732 -5.002 6.444 312 HG23 ILE 44 3HG2 ILE 44 -3.250 -4.567 4.816 313 HD11 ILE 44 3HD1 ILE 44 -1.814 -1.189 5.229 314 HD12 ILE 44 1HD1 ILE 44 -3.439 -1.361 4.564 315 HD13 ILE 44 2HD1 ILE 44 -2.317 -2.719 4.506 316 H LYS 45 H LYS 45 -7.432 -4.219 6.468 317 HA LYS 45 HA LYS 45 -7.402 -6.569 4.941 318 HB2 LYS 45 2HB LYS 45 -8.650 -6.402 7.028 319 HB3 LYS 45 1HB LYS 45 -9.723 -5.205 6.320 320 HG2 LYS 45 2HG LYS 45 -10.778 -7.397 6.436 321 HG3 LYS 45 1HG LYS 45 -10.586 -6.863 4.767 322 HD2 LYS 45 2HD LYS 45 -10.006 -9.192 4.906 323 HD3 LYS 45 1HD LYS 45 -8.540 -8.262 4.610 324 HE2 LYS 45 2HE LYS 45 -8.076 -9.944 6.262 325 HE3 LYS 45 1HE LYS 45 -8.043 -8.362 7.038 326 HZ1 LYS 45 3HZ LYS 45 -10.305 -8.766 7.839 327 HZ2 LYS 45 1HZ LYS 45 -9.232 -9.950 8.393 328 HZ3 LYS 45 2HZ LYS 45 -10.292 -10.300 7.124 329 H LYS 46 H LYS 46 -9.219 -3.536 4.457 330 HA LYS 46 HA LYS 46 -10.427 -4.478 2.052 331 HB2 LYS 46 2HB LYS 46 -11.183 -2.185 1.704 332 HB3 LYS 46 1HB LYS 46 -11.475 -2.690 3.358 333 HG2 LYS 46 2HG LYS 46 -10.670 -0.618 3.754 334 HG3 LYS 46 1HG LYS 46 -9.143 -1.495 3.743 335 HD2 LYS 46 2HD LYS 46 -8.658 0.291 2.364 336 HD3 LYS 46 1HD LYS 46 -9.160 -0.927 1.192 337 HE2 LYS 46 2HE LYS 46 -10.927 1.249 2.313 338 HE3 LYS 46 1HE LYS 46 -10.132 1.299 0.744 339 HZ1 LYS 46 3HZ LYS 46 -12.409 0.622 0.494 340 HZ2 LYS 46 1HZ LYS 46 -12.209 -0.639 1.602 341 HZ3 LYS 46 2HZ LYS 46 -11.407 -0.684 0.118 342 H VAL 47 H VAL 47 -7.412 -2.944 2.842 343 HA VAL 47 HA VAL 47 -6.619 -2.261 0.211 344 HB VAL 47 HB VAL 47 -4.941 -2.974 2.620 345 HG11 VAL 47 1HG1 VAL 47 -4.083 -1.671 0.037 346 HG12 VAL 47 2HG1 VAL 47 -3.693 -3.318 0.529 347 HG13 VAL 47 3HG1 VAL 47 -3.069 -1.952 1.453 348 HG21 VAL 47 3HG2 VAL 47 -6.312 -0.996 2.934 349 HG22 VAL 47 1HG2 VAL 47 -5.721 -0.323 1.415 350 HG23 VAL 47 2HG2 VAL 47 -4.616 -0.546 2.769 351 H PHE 48 H PHE 48 -6.387 -5.229 2.104 352 HA PHE 48 HA PHE 48 -4.916 -6.797 0.327 353 HB2 PHE 48 2HB PHE 48 -7.165 -7.541 2.199 354 HB3 PHE 48 1HB PHE 48 -6.223 -8.729 1.309 355 HD1 PHE 48 1HD PHE 48 -3.587 -6.989 1.668 356 HD2 PHE 48 2HD PHE 48 -6.546 -8.537 4.308 357 HE1 PHE 48 1HE PHE 48 -1.926 -7.075 3.476 358 HE2 PHE 48 2HE PHE 48 -4.891 -8.618 6.121 359 HZ PHE 48 HZ PHE 48 -2.575 -7.891 5.706 360 H GLU 49 H GLU 49 -8.362 -6.083 0.439 361 HA GLU 49 HA GLU 49 -9.120 -7.578 -1.851 362 HB2 GLU 49 2HB GLU 49 -10.355 -5.045 -0.741 363 HB3 GLU 49 1HB GLU 49 -11.135 -6.189 -1.823 364 HG2 GLU 49 2HG GLU 49 -10.151 -6.993 0.890 365 HG3 GLU 49 1HG GLU 49 -11.744 -6.283 0.639 366 H ILE 50 H ILE 50 -7.575 -4.521 -1.405 367 HA ILE 50 HA ILE 50 -8.321 -3.273 -3.797 368 HB ILE 50 HB ILE 50 -5.999 -2.803 -1.962 369 HG12 ILE 50 2HG1 ILE 50 -8.126 -2.253 -1.001 370 HG13 ILE 50 1HG1 ILE 50 -7.323 -0.756 -1.443 371 HG21 ILE 50 1HG2 ILE 50 -5.852 -0.572 -3.181 372 HG22 ILE 50 2HG2 ILE 50 -6.727 -1.367 -4.492 373 HG23 ILE 50 3HG2 ILE 50 -5.159 -1.980 -3.973 374 HD11 ILE 50 3HD1 ILE 50 -9.590 -0.531 -2.037 375 HD12 ILE 50 1HD1 ILE 50 -9.601 -2.098 -2.844 376 HD13 ILE 50 2HD1 ILE 50 -8.690 -0.759 -3.538 377 H ILE 51 H ILE 51 -5.331 -5.129 -3.043 378 HA ILE 51 HA ILE 51 -4.288 -4.709 -5.661 379 HB ILE 51 HB ILE 51 -2.784 -6.746 -5.192 380 HG12 ILE 51 2HG1 ILE 51 -4.434 -7.381 -3.195 381 HG13 ILE 51 1HG1 ILE 51 -2.712 -7.726 -3.096 382 HG21 ILE 51 1HG2 ILE 51 -1.284 -5.413 -3.851 383 HG22 ILE 51 2HG2 ILE 51 -2.601 -4.309 -3.444 384 HG23 ILE 51 3HG2 ILE 51 -2.056 -4.457 -5.117 385 HD11 ILE 51 3HD1 ILE 51 -2.431 -5.623 -1.809 386 HD12 ILE 51 1HD1 ILE 51 -3.451 -6.822 -1.017 387 HD13 ILE 51 2HD1 ILE 51 -4.184 -5.433 -1.813 388 H ASP 52 H ASP 52 -6.334 -7.178 -4.227 389 HA ASP 52 HA ASP 52 -6.160 -8.770 -6.617 390 HB2 ASP 52 2HB ASP 52 -6.647 -9.657 -4.211 391 HB3 ASP 52 1HB ASP 52 -8.308 -9.197 -4.564 392 H GLN 53 H GLN 53 -6.812 -7.047 -8.046 393 HA GLN 53 HA GLN 53 -9.098 -5.584 -8.131 394 HB2 GLN 53 2HB GLN 53 -7.508 -5.227 -9.827 395 HB3 GLN 53 1HB GLN 53 -7.529 -6.910 -10.325 396 HG2 GLN 53 2HG GLN 53 -8.616 -5.642 -12.006 397 HG3 GLN 53 1HG GLN 53 -9.846 -6.571 -11.159 398 HE21 GLN 53 1HE2 GLN 53 -10.132 -4.201 -12.777 399 HE22 GLN 53 2HE2 GLN 53 -10.863 -3.000 -11.770 400 H ASP 54 H ASP 54 -8.803 -8.968 -9.212 401 HA ASP 54 HA ASP 54 -11.661 -8.949 -9.842 402 HB2 ASP 54 2HB ASP 54 -11.313 -10.687 -11.279 403 HB3 ASP 54 1HB ASP 54 -9.693 -10.007 -11.283 404 H LYS 55 H LYS 55 -9.657 -9.764 -7.311 405 HA LYS 55 HA LYS 55 -9.864 -10.847 -5.364 406 HB2 LYS 55 2HB LYS 55 -11.868 -9.452 -5.135 407 HB3 LYS 55 1HB LYS 55 -12.836 -10.720 -5.884 408 HG2 LYS 55 2HG LYS 55 -12.488 -12.187 -4.057 409 HG3 LYS 55 1HG LYS 55 -11.229 -11.154 -3.380 410 HD2 LYS 55 2HD LYS 55 -12.873 -9.431 -2.898 411 HD3 LYS 55 1HD LYS 55 -14.142 -10.417 -3.634 412 HE2 LYS 55 2HE LYS 55 -13.912 -12.091 -1.940 413 HE3 LYS 55 1HE LYS 55 -12.478 -11.305 -1.286 414 HZ1 LYS 55 3HZ LYS 55 -13.822 -9.428 -0.635 415 HZ2 LYS 55 1HZ LYS 55 -14.443 -10.850 0.047 416 HZ3 LYS 55 2HZ LYS 55 -15.211 -10.148 -1.288 417 H SER 56 H SER 56 -8.882 -12.487 -6.815 418 HA SER 56 HA SER 56 -10.505 -14.938 -6.951 419 HB2 SER 56 2HB SER 56 -9.496 -14.270 -9.071 420 HB3 SER 56 1HB SER 56 -7.915 -14.161 -8.307 421 HG SER 56 HG SER 56 -8.345 -16.503 -7.794 422 H ASP 57 H ASP 57 -9.131 -13.611 -4.633 423 HA ASP 57 HA ASP 57 -7.797 -13.964 -2.874 424 HB2 ASP 57 2HB ASP 57 -7.783 -16.192 -1.856 425 HB3 ASP 57 1HB ASP 57 -9.391 -15.708 -2.365 426 H PHE 58 H PHE 58 -6.659 -14.134 -5.616 427 HA PHE 58 HA PHE 58 -3.939 -14.619 -4.770 428 HB2 PHE 58 2HB PHE 58 -5.263 -16.174 -6.977 429 HB3 PHE 58 1HB PHE 58 -3.552 -15.779 -7.085 430 HD1 PHE 58 1HD PHE 58 -2.141 -16.397 -4.964 431 HD2 PHE 58 2HD PHE 58 -5.886 -18.146 -5.967 432 HE1 PHE 58 1HE PHE 58 -1.588 -18.358 -3.584 433 HE2 PHE 58 2HE PHE 58 -5.343 -20.107 -4.586 434 HZ PHE 58 HZ PHE 58 -3.193 -20.217 -3.393 435 H VAL 59 H VAL 59 -2.929 -12.827 -5.298 436 HA VAL 59 HA VAL 59 -4.197 -11.031 -7.208 437 HB VAL 59 HB VAL 59 -1.991 -10.498 -5.245 438 HG11 VAL 59 1HG1 VAL 59 -2.290 -9.016 -7.314 439 HG12 VAL 59 2HG1 VAL 59 -2.134 -8.277 -5.726 440 HG13 VAL 59 3HG1 VAL 59 -3.725 -8.427 -6.469 441 HG21 VAL 59 3HG2 VAL 59 -4.017 -11.145 -4.100 442 HG22 VAL 59 1HG2 VAL 59 -4.930 -9.964 -5.037 443 HG23 VAL 59 2HG2 VAL 59 -3.711 -9.421 -3.887 444 H GLU 60 H GLU 60 -3.539 -11.583 -9.227 445 HA GLU 60 HA GLU 60 -0.773 -12.229 -9.775 446 HB2 GLU 60 2HB GLU 60 -3.177 -11.992 -11.579 447 HB3 GLU 60 1HB GLU 60 -1.578 -12.490 -12.114 448 HG2 GLU 60 2HG GLU 60 -3.219 -13.909 -10.037 449 HG3 GLU 60 1HG GLU 60 -3.098 -14.380 -11.732 450 H GLU 61 H GLU 61 -0.160 -11.124 -12.166 451 HA GLU 61 HA GLU 61 0.421 -8.414 -11.461 452 HB2 GLU 61 2HB GLU 61 1.956 -9.829 -12.811 453 HB3 GLU 61 1HB GLU 61 0.793 -9.793 -14.130 454 HG2 GLU 61 2HG GLU 61 1.048 -7.383 -14.312 455 HG3 GLU 61 1HG GLU 61 2.175 -7.389 -12.959 456 H ASP 62 H ASP 62 -1.883 -9.968 -13.640 457 HA ASP 62 HA ASP 62 -2.860 -7.618 -14.857 458 HB2 ASP 62 2HB ASP 62 -4.881 -8.908 -15.408 459 HB3 ASP 62 1HB ASP 62 -3.419 -9.820 -15.764 460 H GLU 63 H GLU 63 -3.325 -9.011 -11.752 461 HA GLU 63 HA GLU 63 -5.562 -7.541 -10.887 462 HB2 GLU 63 2HB GLU 63 -3.484 -9.171 -9.711 463 HB3 GLU 63 1HB GLU 63 -3.804 -7.759 -8.718 464 HG2 GLU 63 2HG GLU 63 -5.146 -9.548 -7.950 465 HG3 GLU 63 1HG GLU 63 -6.194 -8.364 -8.718 466 H LEU 64 H LEU 64 -2.085 -6.932 -10.452 467 HA LEU 64 HA LEU 64 -2.376 -4.475 -9.156 468 HB2 LEU 64 2HB LEU 64 -0.108 -5.860 -10.490 469 HB3 LEU 64 1HB LEU 64 0.078 -4.179 -10.035 470 HG LEU 64 HG LEU 64 0.993 -5.641 -8.327 471 HD11 LEU 64 1HD1 LEU 64 -1.551 -4.361 -7.363 472 HD12 LEU 64 2HD1 LEU 64 -0.037 -3.509 -7.665 473 HD13 LEU 64 3HD1 LEU 64 -0.123 -4.737 -6.400 474 HD21 LEU 64 3HD2 LEU 64 -0.446 -7.122 -7.025 475 HD22 LEU 64 1HD2 LEU 64 -0.379 -7.608 -8.719 476 HD23 LEU 64 2HD2 LEU 64 -1.793 -6.755 -8.101 477 H LYS 65 H LYS 65 -2.560 -5.269 -12.479 478 HA LYS 65 HA LYS 65 -1.878 -2.763 -13.549 479 HB2 LYS 65 2HB LYS 65 -3.202 -5.201 -14.505 480 HB3 LYS 65 1HB LYS 65 -3.761 -3.736 -15.301 481 HG2 LYS 65 2HG LYS 65 -1.864 -4.966 -16.417 482 HG3 LYS 65 1HG LYS 65 -1.607 -3.246 -16.127 483 HD2 LYS 65 2HD LYS 65 -0.275 -3.742 -14.173 484 HD3 LYS 65 1HD LYS 65 -0.586 -5.470 -14.362 485 HE2 LYS 65 2HE LYS 65 0.874 -3.716 -16.334 486 HE3 LYS 65 1HE LYS 65 1.636 -4.820 -15.192 487 HZ1 LYS 65 3HZ LYS 65 1.475 -5.805 -17.379 488 HZ2 LYS 65 1HZ LYS 65 -0.202 -5.594 -17.390 489 HZ3 LYS 65 2HZ LYS 65 0.508 -6.660 -16.289 490 H LEU 66 H LEU 66 -5.076 -4.145 -12.838 491 HA LEU 66 HA LEU 66 -6.144 -1.423 -13.022 492 HB2 LEU 66 2HB LEU 66 -7.600 -4.055 -13.153 493 HB3 LEU 66 1HB LEU 66 -8.311 -2.465 -13.393 494 HG LEU 66 HG LEU 66 -6.215 -3.764 -15.131 495 HD11 LEU 66 1HD1 LEU 66 -8.403 -4.711 -15.478 496 HD12 LEU 66 2HD1 LEU 66 -7.957 -3.699 -16.852 497 HD13 LEU 66 3HD1 LEU 66 -9.104 -3.101 -15.652 498 HD21 LEU 66 3HD2 LEU 66 -5.808 -1.371 -14.971 499 HD22 LEU 66 1HD2 LEU 66 -7.501 -1.046 -15.364 500 HD23 LEU 66 2HD2 LEU 66 -6.447 -1.788 -16.567 501 H PHE 67 H PHE 67 -4.986 -3.299 -10.679 502 HA PHE 67 HA PHE 67 -6.974 -3.285 -8.681 503 HB2 PHE 67 2HB PHE 67 -5.350 -4.118 -7.335 504 HB3 PHE 67 1HB PHE 67 -4.398 -4.199 -8.807 505 HD1 PHE 67 2HD PHE 67 -2.774 -2.321 -9.300 506 HD2 PHE 67 1HD PHE 67 -4.722 -2.755 -5.556 507 HE1 PHE 67 2HE PHE 67 -1.082 -0.872 -8.258 508 HE2 PHE 67 1HE PHE 67 -3.037 -1.306 -4.499 509 HZ PHE 67 HZ PHE 67 -1.211 -0.362 -5.854 510 H LEU 68 H LEU 68 -4.920 -0.874 -10.002 511 HA LEU 68 HA LEU 68 -5.104 1.108 -8.016 512 HB2 LEU 68 2HB LEU 68 -4.840 1.511 -10.991 513 HB3 LEU 68 1HB LEU 68 -4.324 2.614 -9.726 514 HG LEU 68 HG LEU 68 -3.091 -0.029 -9.531 515 HD11 LEU 68 1HD1 LEU 68 -3.319 0.216 -11.995 516 HD12 LEU 68 2HD1 LEU 68 -1.646 0.185 -11.426 517 HD13 LEU 68 3HD1 LEU 68 -2.392 1.717 -11.878 518 HD21 LEU 68 3HD2 LEU 68 -1.097 1.317 -9.195 519 HD22 LEU 68 1HD2 LEU 68 -2.424 1.927 -8.206 520 HD23 LEU 68 2HD2 LEU 68 -1.971 2.769 -9.689 521 H GLN 69 H GLN 69 -7.090 0.250 -10.760 522 HA GLN 69 HA GLN 69 -8.878 2.466 -10.485 523 HB2 GLN 69 2HB GLN 69 -9.135 -0.146 -11.979 524 HB3 GLN 69 1HB GLN 69 -10.291 1.178 -12.082 525 HG2 GLN 69 2HG GLN 69 -7.386 1.332 -12.848 526 HG3 GLN 69 1HG GLN 69 -8.734 1.158 -13.963 527 HE21 GLN 69 1HE2 GLN 69 -6.761 3.271 -13.828 528 HE22 GLN 69 2HE2 GLN 69 -7.636 4.740 -13.578 529 H ASN 70 H ASN 70 -8.413 -0.495 -8.914 530 HA ASN 70 HA ASN 70 -11.115 -0.667 -7.840 531 HB2 ASN 70 2HB ASN 70 -9.678 -2.688 -8.275 532 HB3 ASN 70 1HB ASN 70 -8.616 -2.150 -6.982 533 HD21 ASN 70 1HD2 ASN 70 -8.949 -3.982 -5.773 534 HD22 ASN 70 2HD2 ASN 70 -10.438 -4.306 -4.956 535 H PHE 71 H PHE 71 -8.163 0.881 -7.187 536 HA PHE 71 HA PHE 71 -8.790 1.407 -4.383 537 HB2 PHE 71 2HB PHE 71 -6.466 0.749 -5.354 538 HB3 PHE 71 1HB PHE 71 -6.381 2.426 -5.872 539 HD1 PHE 71 1HD PHE 71 -7.777 1.067 -2.706 540 HD2 PHE 71 2HD PHE 71 -4.665 3.291 -4.570 541 HE1 PHE 71 1HE PHE 71 -6.880 1.654 -0.496 542 HE2 PHE 71 2HE PHE 71 -3.767 3.886 -2.357 543 HZ PHE 71 HZ PHE 71 -4.872 3.064 -0.318 544 H SER 72 H SER 72 -8.567 3.000 -7.498 545 HA SER 72 HA SER 72 -10.166 5.211 -6.623 546 HB2 SER 72 2HB SER 72 -8.392 6.918 -7.304 547 HB3 SER 72 1HB SER 72 -8.129 6.100 -5.763 548 HG SER 72 HG SER 72 -6.927 4.552 -7.346 549 H ALA 73 H ALA 73 -10.869 6.532 -8.416 550 HA ALA 73 HA ALA 73 -10.883 4.988 -10.880 551 HB1 ALA 73 1HB ALA 73 -12.988 5.831 -9.939 552 HB2 ALA 73 2HB ALA 73 -12.697 6.434 -11.570 553 HB3 ALA 73 3HB ALA 73 -12.422 7.483 -10.181 554 H GLY 74 H GLY 74 -9.208 7.670 -9.632 555 HA2 GLY 74 2HA GLY 74 -8.610 8.667 -12.339 556 HA3 GLY 74 1HA GLY 74 -8.340 9.554 -10.847 557 H ALA 75 H ALA 75 -7.459 6.243 -10.855 558 HA ALA 75 HA ALA 75 -4.700 6.958 -10.450 559 HB1 ALA 75 1HB ALA 75 -5.787 5.214 -9.107 560 HB2 ALA 75 2HB ALA 75 -4.355 4.622 -9.949 561 HB3 ALA 75 3HB ALA 75 -5.963 4.224 -10.558 562 H ARG 76 H ARG 76 -2.990 5.594 -11.541 563 HA ARG 76 HA ARG 76 -3.518 5.478 -14.422 564 HB2 ARG 76 2HB ARG 76 -0.781 5.853 -13.261 565 HB3 ARG 76 1HB ARG 76 -1.365 6.297 -14.853 566 HG2 ARG 76 2HG ARG 76 -2.363 7.665 -12.383 567 HG3 ARG 76 1HG ARG 76 -0.864 8.154 -13.166 568 HD2 ARG 76 2HD ARG 76 -2.598 9.559 -13.963 569 HD3 ARG 76 1HD ARG 76 -2.154 8.472 -15.274 570 HE ARG 76 HE ARG 76 -4.257 7.225 -14.095 571 HH11 ARG 76 1HH1 ARG 76 -3.748 10.440 -15.373 572 HH12 ARG 76 2HH1 ARG 76 -5.414 10.681 -15.786 573 HH21 ARG 76 1HH2 ARG 76 -6.450 7.523 -14.648 574 HH22 ARG 76 2HH2 ARG 76 -6.953 9.012 -15.382 575 H ALA 77 H ALA 77 -3.128 3.534 -15.405 576 HA ALA 77 HA ALA 77 -2.504 1.286 -13.765 577 HB1 ALA 77 1HB ALA 77 -2.776 1.424 -16.758 578 HB2 ALA 77 2HB ALA 77 -4.076 1.091 -15.613 579 HB3 ALA 77 3HB ALA 77 -2.738 -0.047 -15.783 580 H LEU 78 H LEU 78 -0.649 0.379 -13.347 581 HA LEU 78 HA LEU 78 1.816 1.387 -14.438 582 HB2 LEU 78 2HB LEU 78 1.092 -0.718 -12.416 583 HB3 LEU 78 1HB LEU 78 2.735 -0.568 -13.000 584 HG LEU 78 HG LEU 78 2.877 1.698 -12.093 585 HD11 LEU 78 1HD1 LEU 78 0.082 1.230 -11.077 586 HD12 LEU 78 2HD1 LEU 78 0.550 2.380 -12.329 587 HD13 LEU 78 3HD1 LEU 78 1.114 2.600 -10.673 588 HD21 LEU 78 3HD2 LEU 78 2.800 1.111 -9.719 589 HD22 LEU 78 1HD2 LEU 78 3.514 -0.180 -10.687 590 HD23 LEU 78 2HD2 LEU 78 1.854 -0.327 -10.110 591 H SER 79 H SER 79 3.331 0.193 -15.681 592 HA SER 79 HA SER 79 3.073 -2.489 -16.363 593 HB2 SER 79 2HB SER 79 2.452 -2.126 -18.846 594 HB3 SER 79 1HB SER 79 1.141 -2.060 -17.669 595 HG SER 79 HG SER 79 2.195 0.376 -17.886 596 H ASP 80 H ASP 80 5.213 -1.989 -15.731 597 HA ASP 80 HA ASP 80 7.074 -2.164 -17.773 598 HB2 ASP 80 2HB ASP 80 6.394 0.291 -18.061 599 HB3 ASP 80 1HB ASP 80 7.124 0.578 -16.487 600 H ALA 81 H ALA 81 9.052 -0.540 -16.122 601 HA ALA 81 HA ALA 81 9.832 -2.693 -14.484 602 HB1 ALA 81 1HB ALA 81 10.818 0.157 -14.455 603 HB2 ALA 81 2HB ALA 81 11.435 -1.138 -15.479 604 HB3 ALA 81 3HB ALA 81 11.630 -1.229 -13.729 605 H GLU 82 H GLU 82 7.487 -0.298 -13.922 606 HA GLU 82 HA GLU 82 8.220 0.063 -11.135 607 HB2 GLU 82 2HB GLU 82 6.586 1.774 -11.004 608 HB3 GLU 82 1HB GLU 82 7.413 1.986 -12.535 609 HG2 GLU 82 2HG GLU 82 4.707 0.740 -12.155 610 HG3 GLU 82 1HG GLU 82 5.026 2.375 -12.731 611 H THR 83 H THR 83 5.744 -1.532 -13.093 612 HA THR 83 HA THR 83 4.279 -2.556 -10.890 613 HB THR 83 HB THR 83 4.621 -4.258 -13.318 614 HG1 THR 83 1HG THR 83 4.207 -1.677 -13.601 615 HG21 THR 83 3HG2 THR 83 2.228 -3.378 -11.705 616 HG22 THR 83 1HG2 THR 83 3.074 -4.918 -11.552 617 HG23 THR 83 2HG2 THR 83 2.200 -4.535 -13.036 618 H LYS 84 H LYS 84 7.185 -3.572 -12.587 619 HA LYS 84 HA LYS 84 7.510 -6.122 -11.500 620 HB2 LYS 84 2HB LYS 84 9.696 -4.165 -12.223 621 HB3 LYS 84 1HB LYS 84 9.841 -5.909 -12.125 622 HG2 LYS 84 2HG LYS 84 8.045 -4.521 -14.087 623 HG3 LYS 84 1HG LYS 84 9.724 -4.927 -14.428 624 HD2 LYS 84 2HD LYS 84 8.651 -6.747 -15.324 625 HD3 LYS 84 1HD LYS 84 8.972 -7.328 -13.692 626 HE2 LYS 84 2HE LYS 84 6.701 -6.783 -13.025 627 HE3 LYS 84 1HE LYS 84 6.376 -6.093 -14.611 628 HZ1 LYS 84 3HZ LYS 84 7.021 -8.932 -14.047 629 HZ2 LYS 84 1HZ LYS 84 6.744 -8.278 -15.579 630 HZ3 LYS 84 2HZ LYS 84 5.490 -8.323 -14.443 631 H VAL 85 H VAL 85 9.068 -3.088 -10.475 632 HA VAL 85 HA VAL 85 10.286 -4.211 -8.191 633 HB VAL 85 HB VAL 85 9.629 -1.306 -8.706 634 HG11 VAL 85 1HG1 VAL 85 11.495 -0.841 -7.188 635 HG12 VAL 85 2HG1 VAL 85 11.678 -2.569 -6.885 636 HG13 VAL 85 3HG1 VAL 85 10.209 -1.735 -6.379 637 HG21 VAL 85 3HG2 VAL 85 10.908 -2.291 -10.537 638 HG22 VAL 85 1HG2 VAL 85 12.105 -2.889 -9.388 639 HG23 VAL 85 2HG2 VAL 85 11.894 -1.154 -9.615 640 H PHE 86 H PHE 86 7.230 -2.488 -8.635 641 HA PHE 86 HA PHE 86 6.628 -2.293 -5.871 642 HB2 PHE 86 2HB PHE 86 5.600 -0.797 -7.460 643 HB3 PHE 86 1HB PHE 86 4.861 -2.128 -8.318 644 HD1 PHE 86 1HD PHE 86 2.971 -3.380 -7.233 645 HD2 PHE 86 2HD PHE 86 4.618 0.172 -5.570 646 HE1 PHE 86 1HE PHE 86 0.960 -3.095 -5.842 647 HE2 PHE 86 2HE PHE 86 2.615 0.457 -4.175 648 HZ PHE 86 HZ PHE 86 0.781 -1.177 -4.312 649 H LEU 87 H LEU 87 5.933 -4.747 -8.335 650 HA LEU 87 HA LEU 87 4.312 -6.390 -6.685 651 HB2 LEU 87 2HB LEU 87 6.010 -6.979 -9.098 652 HB3 LEU 87 1HB LEU 87 5.140 -8.242 -8.253 653 HG LEU 87 HG LEU 87 3.840 -5.835 -9.526 654 HD11 LEU 87 1HD1 LEU 87 4.067 -8.675 -10.510 655 HD12 LEU 87 2HD1 LEU 87 4.866 -7.264 -11.207 656 HD13 LEU 87 3HD1 LEU 87 3.109 -7.397 -11.256 657 HD21 LEU 87 3HD2 LEU 87 2.724 -8.348 -8.286 658 HD22 LEU 87 1HD2 LEU 87 1.785 -7.216 -9.260 659 HD23 LEU 87 2HD2 LEU 87 2.492 -6.688 -7.737 660 H LYS 88 H LYS 88 7.768 -6.453 -7.464 661 HA LYS 88 HA LYS 88 8.353 -8.699 -5.860 662 HB2 LYS 88 2HB LYS 88 10.141 -6.539 -6.972 663 HB3 LYS 88 1HB LYS 88 10.732 -7.981 -6.150 664 HG2 LYS 88 2HG LYS 88 9.037 -8.017 -8.635 665 HG3 LYS 88 1HG LYS 88 10.797 -8.166 -8.606 666 HD2 LYS 88 2HD LYS 88 10.587 -10.143 -7.172 667 HD3 LYS 88 1HD LYS 88 8.832 -10.012 -7.258 668 HE2 LYS 88 2HE LYS 88 8.927 -10.324 -9.686 669 HE3 LYS 88 1HE LYS 88 10.681 -10.477 -9.594 670 HZ1 LYS 88 3HZ LYS 88 10.474 -12.466 -8.344 671 HZ2 LYS 88 1HZ LYS 88 9.453 -12.622 -9.682 672 HZ3 LYS 88 2HZ LYS 88 8.801 -12.270 -8.156 673 H ALA 89 H ALA 89 7.871 -5.402 -5.057 674 HA ALA 89 HA ALA 89 9.253 -5.265 -2.616 675 HB1 ALA 89 1HB ALA 89 6.619 -4.002 -3.383 676 HB2 ALA 89 2HB ALA 89 8.221 -3.299 -3.612 677 HB3 ALA 89 3HB ALA 89 7.592 -3.555 -1.982 678 H GLY 90 H GLY 90 6.257 -6.783 -3.552 679 HA2 GLY 90 2HA GLY 90 5.796 -7.661 -0.783 680 HA3 GLY 90 1HA GLY 90 4.613 -7.720 -2.085 681 H ASP 91 H ASP 91 5.943 -8.923 -4.103 682 HA ASP 91 HA ASP 91 5.797 -11.652 -3.487 683 HB2 ASP 91 2HB ASP 91 5.538 -10.971 -5.761 684 HB3 ASP 91 1HB ASP 91 7.131 -10.222 -5.786 685 H SER 92 H SER 92 7.118 -12.304 -1.819 686 HA SER 92 HA SER 92 9.998 -11.793 -2.036 687 HB2 SER 92 2HB SER 92 8.489 -13.081 0.250 688 HB3 SER 92 1HB SER 92 10.134 -12.447 0.278 689 HG SER 92 HG SER 92 7.875 -10.830 -0.310 690 H ASP 93 H ASP 93 7.721 -14.004 -2.936 691 HA ASP 93 HA ASP 93 9.256 -16.416 -2.365 692 HB2 ASP 93 2HB ASP 93 6.739 -16.242 -4.025 693 HB3 ASP 93 1HB ASP 93 7.404 -17.656 -3.221 694 H GLY 94 H GLY 94 8.900 -14.135 -4.861 695 HA2 GLY 94 2HA GLY 94 9.962 -14.017 -6.925 696 HA3 GLY 94 1HA GLY 94 10.574 -15.651 -6.678 697 H ASP 95 H ASP 95 7.236 -14.660 -6.362 698 HA ASP 95 HA ASP 95 6.522 -16.689 -8.346 699 HB2 ASP 95 2HB ASP 95 4.220 -16.446 -7.383 700 HB3 ASP 95 1HB ASP 95 5.435 -16.995 -6.239 701 H GLY 96 H GLY 96 6.688 -13.303 -8.002 702 HA2 GLY 96 2HA GLY 96 6.481 -11.737 -9.704 703 HA3 GLY 96 1HA GLY 96 5.813 -12.988 -10.740 704 H LYS 97 H LYS 97 4.495 -12.336 -7.582 705 HA LYS 97 HA LYS 97 2.292 -10.751 -8.666 706 HB2 LYS 97 2HB LYS 97 0.608 -12.281 -8.175 707 HB3 LYS 97 1HB LYS 97 1.862 -13.313 -8.843 708 HG2 LYS 97 2HG LYS 97 2.591 -13.758 -6.441 709 HG3 LYS 97 1HG LYS 97 1.090 -12.957 -5.963 710 HD2 LYS 97 2HD LYS 97 0.716 -15.341 -6.016 711 HD3 LYS 97 1HD LYS 97 -0.202 -14.571 -7.309 712 HE2 LYS 97 2HE LYS 97 1.726 -15.157 -8.846 713 HE3 LYS 97 1HE LYS 97 2.352 -16.148 -7.532 714 HZ1 LYS 97 3HZ LYS 97 0.267 -17.399 -7.563 715 HZ2 LYS 97 1HZ LYS 97 1.065 -17.474 -9.054 716 HZ3 LYS 97 2HZ LYS 97 -0.283 -16.462 -8.866 717 H ILE 98 H ILE 98 0.684 -10.404 -6.724 718 HA ILE 98 HA ILE 98 2.355 -9.769 -4.403 719 HB ILE 98 HB ILE 98 -0.222 -8.579 -5.388 720 HG12 ILE 98 2HG1 ILE 98 1.812 -7.651 -6.317 721 HG13 ILE 98 1HG1 ILE 98 1.074 -6.488 -5.226 722 HG21 ILE 98 1HG2 ILE 98 1.045 -8.145 -2.690 723 HG22 ILE 98 2HG2 ILE 98 -0.504 -8.930 -3.001 724 HG23 ILE 98 3HG2 ILE 98 -0.298 -7.215 -3.355 725 HD11 ILE 98 3HD1 ILE 98 3.480 -8.204 -4.703 726 HD12 ILE 98 1HD1 ILE 98 2.672 -7.231 -3.473 727 HD13 ILE 98 2HD1 ILE 98 3.416 -6.450 -4.865 728 H GLY 99 H GLY 99 2.323 -11.487 -3.070 729 HA2 GLY 99 2HA GLY 99 -0.022 -12.919 -2.372 730 HA3 GLY 99 1HA GLY 99 1.432 -12.776 -1.382 731 H VAL 100 H VAL 100 -1.580 -12.455 -0.881 732 HA VAL 100 HA VAL 100 -2.182 -9.781 -0.395 733 HB VAL 100 HB VAL 100 -3.203 -12.320 0.838 734 HG11 VAL 100 1HG1 VAL 100 -5.070 -11.035 1.767 735 HG12 VAL 100 2HG1 VAL 100 -4.266 -9.543 1.280 736 HG13 VAL 100 3HG1 VAL 100 -3.528 -10.585 2.495 737 HG21 VAL 100 3HG2 VAL 100 -3.724 -12.014 -1.499 738 HG22 VAL 100 1HG2 VAL 100 -4.348 -10.395 -1.176 739 HG23 VAL 100 2HG2 VAL 100 -5.187 -11.809 -0.536 740 H ASP 101 H ASP 101 -0.876 -12.225 1.850 741 HA ASP 101 HA ASP 101 -0.499 -10.382 3.986 742 HB2 ASP 101 2HB ASP 101 -0.648 -12.771 4.422 743 HB3 ASP 101 1HB ASP 101 0.796 -13.064 3.459 744 H GLU 102 H GLU 102 1.434 -11.401 1.259 745 HA GLU 102 HA GLU 102 3.907 -10.307 2.056 746 HB2 GLU 102 2HB GLU 102 2.799 -10.672 -0.736 747 HB3 GLU 102 1HB GLU 102 4.478 -10.326 -0.354 748 HG2 GLU 102 2HG GLU 102 4.463 -12.474 0.993 749 HG3 GLU 102 1HG GLU 102 2.918 -12.822 0.223 750 H PHE 103 H PHE 103 1.101 -8.905 0.442 751 HA PHE 103 HA PHE 103 2.293 -6.439 -0.240 752 HB2 PHE 103 2HB PHE 103 0.075 -7.342 -1.096 753 HB3 PHE 103 1HB PHE 103 -0.625 -6.820 0.433 754 HD1 PHE 103 1HD PHE 103 1.196 -5.610 -2.552 755 HD2 PHE 103 2HD PHE 103 -1.296 -4.595 0.740 756 HE1 PHE 103 1HE PHE 103 0.910 -3.351 -3.475 757 HE2 PHE 103 2HE PHE 103 -1.593 -2.332 -0.183 758 HZ PHE 103 HZ PHE 103 -0.489 -1.707 -2.291 759 H GLY 104 H GLY 104 0.310 -7.402 2.562 760 HA2 GLY 104 2HA GLY 104 0.348 -5.003 3.965 761 HA3 GLY 104 1HA GLY 104 0.298 -6.589 4.721 762 H ALA 105 H ALA 105 2.790 -7.531 3.826 763 HA ALA 105 HA ALA 105 4.493 -6.497 5.825 764 HB1 ALA 105 1HB ALA 105 6.178 -7.991 4.901 765 HB2 ALA 105 2HB ALA 105 5.194 -8.234 3.459 766 HB3 ALA 105 3HB ALA 105 4.621 -8.807 5.025 767 H MET 106 H MET 106 4.290 -5.909 2.327 768 HA MET 106 HA MET 106 6.726 -4.432 2.195 769 HB2 MET 106 2HB MET 106 6.314 -4.170 -0.036 770 HB3 MET 106 1HB MET 106 5.180 -5.479 0.264 771 HG2 MET 106 2HG MET 106 3.343 -4.088 0.166 772 HG3 MET 106 1HG MET 106 4.282 -2.650 0.543 773 HE1 MET 106 3HE MET 106 4.730 -5.495 -2.209 774 HE2 MET 106 1HE MET 106 3.957 -4.681 -3.569 775 HE3 MET 106 2HE MET 106 3.015 -5.096 -2.136 776 H ILE 107 H ILE 107 3.502 -3.647 3.155 777 HA ILE 107 HA ILE 107 3.716 -0.812 2.736 778 HB ILE 107 HB ILE 107 1.790 -2.317 4.531 779 HG12 ILE 107 2HG1 ILE 107 1.437 -1.402 1.666 780 HG13 ILE 107 1HG1 ILE 107 1.696 -3.070 2.169 781 HG21 ILE 107 1HG2 ILE 107 0.386 -0.327 4.294 782 HG22 ILE 107 2HG2 ILE 107 1.654 0.451 3.347 783 HG23 ILE 107 3HG2 ILE 107 1.937 0.056 5.042 784 HD11 ILE 107 3HD1 ILE 107 -0.662 -1.347 2.890 785 HD12 ILE 107 1HD1 ILE 107 -0.400 -3.008 3.422 786 HD13 ILE 107 2HD1 ILE 107 -0.640 -2.658 1.710 787 H LYS 108 H LYS 108 4.296 -3.089 5.263 788 HA LYS 108 HA LYS 108 4.844 -1.021 7.229 789 HB2 LYS 108 2HB LYS 108 3.621 -2.761 8.145 790 HB3 LYS 108 1HB LYS 108 4.499 -3.995 7.257 791 HG2 LYS 108 2HG LYS 108 5.987 -2.460 9.311 792 HG3 LYS 108 1HG LYS 108 4.787 -3.632 9.862 793 HD2 LYS 108 2HD LYS 108 5.882 -5.369 8.514 794 HD3 LYS 108 1HD LYS 108 7.090 -4.193 7.993 795 HE2 LYS 108 2HE LYS 108 6.595 -5.083 10.829 796 HE3 LYS 108 1HE LYS 108 7.928 -5.604 9.799 797 HZ1 LYS 108 3HZ LYS 108 8.612 -3.854 11.314 798 HZ2 LYS 108 1HZ LYS 108 7.430 -2.815 10.694 799 HZ3 LYS 108 2HZ LYS 108 8.710 -3.324 9.714 800 H ALA 109 H ALA 109 6.551 -2.594 4.826 801 HA ALA 109 HA ALA 109 9.085 -2.782 6.187 802 HB1 ALA 109 1HB ALA 109 8.498 -4.329 4.367 803 HB2 ALA 109 2HB ALA 109 9.982 -3.439 4.029 804 HB3 ALA 109 3HB ALA 109 8.475 -2.974 3.239 Start of MODEL 5 1 H1 MET 1 1HT MET 1 -15.719 9.099 -7.462 2 H2 MET 1 2HT MET 1 -17.064 8.536 -6.607 3 H3 MET 1 3HT MET 1 -15.505 8.164 -6.073 4 HA MET 1 HA MET 1 -15.059 10.451 -5.574 5 HB2 MET 1 2HB MET 1 -17.882 10.868 -6.575 6 HB3 MET 1 1HB MET 1 -16.971 12.074 -5.678 7 HG2 MET 1 2HG MET 1 -15.285 12.106 -7.454 8 HG3 MET 1 1HG MET 1 -16.225 10.919 -8.354 9 HE1 MET 1 2HE MET 1 -16.170 12.522 -10.462 10 HE2 MET 1 3HE MET 1 -15.264 13.734 -9.557 11 HE3 MET 1 1HE MET 1 -16.719 14.197 -10.438 12 H ALA 2 H ALA 2 -15.148 8.575 -3.904 13 HA ALA 2 HA ALA 2 -16.988 9.401 -1.811 14 HB1 ALA 2 1HB ALA 2 -17.776 7.139 -1.355 15 HB2 ALA 2 2HB ALA 2 -16.877 6.533 -2.746 16 HB3 ALA 2 3HB ALA 2 -18.228 7.640 -2.985 17 H PHE 3 H PHE 3 -15.953 9.455 0.078 18 HA PHE 3 HA PHE 3 -13.945 7.489 0.722 19 HB2 PHE 3 2HB PHE 3 -12.170 9.096 1.228 20 HB3 PHE 3 1HB PHE 3 -12.602 9.166 -0.473 21 HD1 PHE 3 1HD PHE 3 -14.285 11.034 -1.147 22 HD2 PHE 3 2HD PHE 3 -12.031 11.031 2.464 23 HE1 PHE 3 1HE PHE 3 -14.582 13.468 -0.962 24 HE2 PHE 3 2HE PHE 3 -12.328 13.465 2.654 25 HZ PHE 3 HZ PHE 3 -13.604 14.685 0.942 26 H ALA 4 H ALA 4 -14.153 6.944 2.772 27 HA ALA 4 HA ALA 4 -16.074 8.318 4.406 28 HB1 ALA 4 1HB ALA 4 -15.751 6.488 5.971 29 HB2 ALA 4 2HB ALA 4 -14.346 5.935 5.059 30 HB3 ALA 4 3HB ALA 4 -15.952 5.874 4.331 31 H GLY 5 H GLY 5 -12.765 8.679 3.957 32 HA2 GLY 5 2HA GLY 5 -11.716 10.556 5.126 33 HA3 GLY 5 1HA GLY 5 -12.506 9.990 6.593 34 H ILE 6 H ILE 6 -11.919 7.174 5.918 35 HA ILE 6 HA ILE 6 -9.501 6.718 7.183 36 HB ILE 6 HB ILE 6 -10.862 5.034 5.069 37 HG12 ILE 6 2HG1 ILE 6 -10.922 4.903 8.092 38 HG13 ILE 6 1HG1 ILE 6 -12.239 5.432 7.051 39 HG21 ILE 6 1HG2 ILE 6 -9.555 3.149 5.979 40 HG22 ILE 6 2HG2 ILE 6 -8.653 4.288 6.980 41 HG23 ILE 6 3HG2 ILE 6 -8.542 4.380 5.222 42 HD11 ILE 6 3HD1 ILE 6 -11.063 2.663 7.112 43 HD12 ILE 6 1HD1 ILE 6 -12.413 3.200 6.114 44 HD13 ILE 6 2HD1 ILE 6 -12.574 3.161 7.868 45 H LEU 7 H LEU 7 -10.175 6.729 3.710 46 HA LEU 7 HA LEU 7 -7.422 7.623 3.289 47 HB2 LEU 7 2HB LEU 7 -7.312 6.500 1.185 48 HB3 LEU 7 1HB LEU 7 -7.785 5.343 2.398 49 HG LEU 7 HG LEU 7 -9.002 4.769 0.492 50 HD11 LEU 7 1HD1 LEU 7 -11.316 5.070 1.020 51 HD12 LEU 7 2HD1 LEU 7 -10.940 6.442 2.060 52 HD13 LEU 7 3HD1 LEU 7 -10.396 4.823 2.504 53 HD21 LEU 7 3HD2 LEU 7 -8.606 6.730 -0.852 54 HD22 LEU 7 1HD2 LEU 7 -9.742 7.662 0.126 55 HD23 LEU 7 2HD2 LEU 7 -10.321 6.320 -0.861 56 H ASN 8 H ASN 8 -7.127 9.436 2.150 57 HA ASN 8 HA ASN 8 -9.500 10.912 1.301 58 HB2 ASN 8 2HB ASN 8 -6.648 11.654 1.852 59 HB3 ASN 8 1HB ASN 8 -7.680 12.728 0.910 60 HD21 ASN 8 1HD2 ASN 8 -7.355 11.082 3.981 61 HD22 ASN 8 2HD2 ASN 8 -8.296 12.204 4.902 62 H ASP 9 H ASP 9 -10.146 10.666 -0.698 63 HA ASP 9 HA ASP 9 -8.885 9.284 -2.729 64 HB2 ASP 9 2HB ASP 9 -11.267 9.767 -2.785 65 HB3 ASP 9 1HB ASP 9 -10.948 11.492 -2.920 66 H ALA 10 H ALA 10 -8.823 12.710 -2.001 67 HA ALA 10 HA ALA 10 -7.362 13.528 -4.300 68 HB1 ALA 10 1HB ALA 10 -8.707 15.093 -3.055 69 HB2 ALA 10 2HB ALA 10 -7.022 15.612 -2.987 70 HB3 ALA 10 3HB ALA 10 -7.758 14.807 -1.596 71 H ASP 11 H ASP 11 -6.449 12.418 -1.086 72 HA ASP 11 HA ASP 11 -3.718 13.236 -1.263 73 HB2 ASP 11 2HB ASP 11 -5.277 12.499 0.812 74 HB3 ASP 11 1HB ASP 11 -4.428 10.982 0.530 75 H ILE 12 H ILE 12 -5.394 10.164 -1.514 76 HA ILE 12 HA ILE 12 -3.278 8.516 -2.236 77 HB ILE 12 HB ILE 12 -6.219 8.480 -2.722 78 HG12 ILE 12 2HG1 ILE 12 -6.013 6.298 -1.512 79 HG13 ILE 12 1HG1 ILE 12 -4.287 6.590 -1.366 80 HG21 ILE 12 1HG2 ILE 12 -4.322 6.493 -3.972 81 HG22 ILE 12 2HG2 ILE 12 -5.358 7.635 -4.829 82 HG23 ILE 12 3HG2 ILE 12 -6.076 6.322 -3.897 83 HD11 ILE 12 3HD1 ILE 12 -4.761 8.606 -0.053 84 HD12 ILE 12 1HD1 ILE 12 -5.419 7.146 0.686 85 HD13 ILE 12 2HD1 ILE 12 -6.485 8.258 -0.172 86 H THR 13 H THR 13 -5.521 10.259 -4.383 87 HA THR 13 HA THR 13 -4.418 9.584 -6.821 88 HB THR 13 HB THR 13 -5.750 12.180 -6.028 89 HG1 THR 13 1HG THR 13 -7.208 10.579 -5.692 90 HG21 THR 13 3HG2 THR 13 -5.401 10.961 -8.769 91 HG22 THR 13 1HG2 THR 13 -4.552 12.384 -8.161 92 HG23 THR 13 2HG2 THR 13 -6.302 12.432 -8.384 93 H ALA 14 H ALA 14 -3.378 12.069 -4.543 94 HA ALA 14 HA ALA 14 -1.622 13.425 -6.284 95 HB1 ALA 14 1HB ALA 14 -1.468 13.207 -3.285 96 HB2 ALA 14 2HB ALA 14 -2.409 14.395 -4.184 97 HB3 ALA 14 3HB ALA 14 -0.648 14.403 -4.287 98 H ALA 15 H ALA 15 -0.992 10.809 -3.899 99 HA ALA 15 HA ALA 15 1.721 10.460 -4.512 100 HB1 ALA 15 1HB ALA 15 0.719 9.388 -2.599 101 HB2 ALA 15 2HB ALA 15 1.444 8.169 -3.652 102 HB3 ALA 15 3HB ALA 15 -0.306 8.408 -3.649 103 H LEU 16 H LEU 16 -1.175 9.064 -5.996 104 HA LEU 16 HA LEU 16 0.039 7.332 -7.807 105 HB2 LEU 16 2HB LEU 16 -2.549 8.783 -7.713 106 HB3 LEU 16 1HB LEU 16 -2.072 8.101 -9.255 107 HG LEU 16 HG LEU 16 -3.538 6.576 -8.100 108 HD11 LEU 16 1HD1 LEU 16 -0.710 5.539 -8.024 109 HD12 LEU 16 2HD1 LEU 16 -1.730 5.628 -9.459 110 HD13 LEU 16 3HD1 LEU 16 -2.182 4.573 -8.121 111 HD21 LEU 16 3HD2 LEU 16 -1.519 6.585 -5.870 112 HD22 LEU 16 1HD2 LEU 16 -2.949 5.557 -5.975 113 HD23 LEU 16 2HD2 LEU 16 -3.129 7.306 -5.820 114 H ALA 17 H ALA 17 -0.759 10.760 -8.165 115 HA ALA 17 HA ALA 17 0.191 11.023 -10.813 116 HB1 ALA 17 1HB ALA 17 -1.347 12.626 -9.771 117 HB2 ALA 17 2HB ALA 17 0.088 13.420 -10.419 118 HB3 ALA 17 3HB ALA 17 -0.059 13.145 -8.683 119 H ALA 18 H ALA 18 1.782 10.950 -7.739 120 HA ALA 18 HA ALA 18 4.186 12.248 -8.646 121 HB1 ALA 18 1HB ALA 18 3.478 12.391 -6.304 122 HB2 ALA 18 2HB ALA 18 5.081 11.675 -6.456 123 HB3 ALA 18 3HB ALA 18 3.684 10.647 -6.138 124 H CYS 19 H CYS 19 3.151 8.926 -7.968 125 HA CYS 19 HA CYS 19 5.710 7.826 -8.685 126 HB2 CYS 19 2HB CYS 19 4.555 5.632 -8.442 127 HB3 CYS 19 1HB CYS 19 4.393 6.669 -7.028 128 HG CYS 19 HG CYS 19 1.858 7.157 -9.085 129 H LYS 20 H LYS 20 3.146 9.005 -10.437 130 HA LYS 20 HA LYS 20 3.026 7.231 -12.628 131 HB2 LYS 20 2HB LYS 20 1.513 9.270 -11.928 132 HB3 LYS 20 1HB LYS 20 2.622 10.191 -12.927 133 HG2 LYS 20 2HG LYS 20 1.055 7.811 -13.897 134 HG3 LYS 20 1HG LYS 20 0.528 9.481 -14.068 135 HD2 LYS 20 2HD LYS 20 3.052 8.302 -15.229 136 HD3 LYS 20 1HD LYS 20 1.566 8.626 -16.120 137 HE2 LYS 20 2HE LYS 20 1.797 11.021 -15.554 138 HE3 LYS 20 1HE LYS 20 3.326 10.662 -14.757 139 HZ1 LYS 20 3HZ LYS 20 4.176 9.850 -16.883 140 HZ2 LYS 20 1HZ LYS 20 3.702 11.471 -16.977 141 HZ3 LYS 20 2HZ LYS 20 2.719 10.264 -17.634 142 H ALA 21 H ALA 21 5.071 9.969 -11.831 143 HA ALA 21 HA ALA 21 6.327 10.320 -14.314 144 HB1 ALA 21 1HB ALA 21 8.069 11.499 -13.049 145 HB2 ALA 21 2HB ALA 21 7.381 10.882 -11.546 146 HB3 ALA 21 3HB ALA 21 6.449 11.987 -12.554 147 H GLU 22 H GLU 22 7.462 8.867 -15.397 148 HA GLU 22 HA GLU 22 8.503 6.498 -14.323 149 HB2 GLU 22 2HB GLU 22 7.975 6.787 -16.710 150 HB3 GLU 22 1HB GLU 22 9.309 7.923 -16.866 151 HG2 GLU 22 2HG GLU 22 9.900 5.717 -17.710 152 HG3 GLU 22 1HG GLU 22 10.897 6.173 -16.332 153 H GLY 23 H GLY 23 10.369 5.986 -13.382 154 HA2 GLY 23 2HA GLY 23 12.611 6.204 -12.746 155 HA3 GLY 23 1HA GLY 23 12.654 7.782 -13.516 156 H SER 24 H SER 24 9.980 8.148 -11.894 157 HA SER 24 HA SER 24 11.292 8.865 -9.360 158 HB2 SER 24 2HB SER 24 10.957 10.838 -10.873 159 HB3 SER 24 1HB SER 24 9.221 10.540 -10.805 160 HG SER 24 HG SER 24 10.969 11.327 -8.718 161 H PHE 25 H PHE 25 10.067 6.511 -9.524 162 HA PHE 25 HA PHE 25 7.375 6.895 -8.437 163 HB2 PHE 25 2HB PHE 25 7.164 4.390 -8.815 164 HB3 PHE 25 1HB PHE 25 7.249 5.393 -10.262 165 HD1 PHE 25 1HD PHE 25 9.504 5.569 -11.451 166 HD2 PHE 25 2HD PHE 25 8.647 2.640 -8.491 167 HE1 PHE 25 1HE PHE 25 11.369 4.196 -12.275 168 HE2 PHE 25 2HE PHE 25 10.514 1.264 -9.303 169 HZ PHE 25 HZ PHE 25 11.879 2.040 -11.199 170 H ASP 26 H ASP 26 6.964 6.522 -6.381 171 HA ASP 26 HA ASP 26 8.802 4.878 -4.824 172 HB2 ASP 26 2HB ASP 26 8.354 6.720 -2.951 173 HB3 ASP 26 1HB ASP 26 9.714 6.822 -4.060 174 H HIS 27 H HIS 27 7.283 3.288 -4.791 175 HA HIS 27 HA HIS 27 4.579 3.666 -4.081 176 HB2 HIS 27 2HB HIS 27 5.693 1.724 -5.340 177 HB3 HIS 27 1HB HIS 27 6.077 1.087 -3.750 178 HD1 HIS 27 1HD HIS 27 3.717 0.715 -6.311 179 HD2 HIS 27 2HD HIS 27 3.458 0.911 -2.163 180 HE1 HIS 27 1HE HIS 27 1.525 -0.379 -5.709 181 HE2 HIS 27 2HE HIS 27 1.498 -0.424 -3.191 182 H LYS 28 H LYS 28 7.444 3.042 -2.158 183 HA LYS 28 HA LYS 28 6.093 2.385 0.243 184 HB2 LYS 28 2HB LYS 28 8.532 2.060 -0.076 185 HB3 LYS 28 1HB LYS 28 8.719 3.811 -0.094 186 HG2 LYS 28 2HG LYS 28 7.953 3.966 2.185 187 HG3 LYS 28 1HG LYS 28 7.628 2.234 2.222 188 HD2 LYS 28 2HD LYS 28 9.992 1.759 1.954 189 HD3 LYS 28 1HD LYS 28 10.342 3.484 1.819 190 HE2 LYS 28 2HE LYS 28 10.819 2.596 4.067 191 HE3 LYS 28 1HE LYS 28 9.587 3.855 4.084 192 HZ1 LYS 28 3HZ LYS 28 7.888 2.152 4.233 193 HZ2 LYS 28 1HZ LYS 28 8.990 1.984 5.502 194 HZ3 LYS 28 2HZ LYS 28 9.057 0.928 4.182 195 H ALA 29 H ALA 29 7.173 5.401 -1.208 196 HA ALA 29 HA ALA 29 6.365 7.131 0.848 197 HB1 ALA 29 1HB ALA 29 6.525 7.689 -2.108 198 HB2 ALA 29 2HB ALA 29 7.858 7.821 -0.963 199 HB3 ALA 29 3HB ALA 29 6.466 8.894 -0.824 200 H PHE 30 H PHE 30 4.651 5.625 -1.807 201 HA PHE 30 HA PHE 30 2.236 6.989 -1.695 202 HB2 PHE 30 2HB PHE 30 2.556 5.402 -3.441 203 HB3 PHE 30 1HB PHE 30 2.876 4.101 -2.302 204 HD1 PHE 30 1HD PHE 30 0.201 6.380 -3.502 205 HD2 PHE 30 2HD PHE 30 1.159 2.705 -1.582 206 HE1 PHE 30 1HE PHE 30 -2.167 5.716 -3.595 207 HE2 PHE 30 2HE PHE 30 -1.206 2.035 -1.672 208 HZ PHE 30 HZ PHE 30 -2.873 3.543 -2.678 209 H PHE 31 H PHE 31 3.264 4.135 0.223 210 HA PHE 31 HA PHE 31 0.846 3.942 1.670 211 HB2 PHE 31 2HB PHE 31 3.581 3.049 2.608 212 HB3 PHE 31 1HB PHE 31 2.041 2.544 3.271 213 HD1 PHE 31 1HD PHE 31 0.394 1.782 1.152 214 HD2 PHE 31 2HD PHE 31 4.615 1.372 1.457 215 HE1 PHE 31 1HE PHE 31 0.314 -0.127 -0.396 216 HE2 PHE 31 2HE PHE 31 4.545 -0.536 -0.091 217 HZ PHE 31 HZ PHE 31 2.391 -1.289 -1.019 218 H THR 32 H THR 32 3.889 5.612 2.420 219 HA THR 32 HA THR 32 2.957 6.350 5.025 220 HB THR 32 HB THR 32 5.287 6.037 4.861 221 HG1 THR 32 1HG THR 32 4.288 8.312 5.705 222 HG21 THR 32 3HG2 THR 32 6.729 7.450 3.396 223 HG22 THR 32 1HG2 THR 32 5.267 8.032 2.603 224 HG23 THR 32 2HG2 THR 32 5.696 6.320 2.522 225 H LYS 33 H LYS 33 2.698 7.788 1.884 226 HA LYS 33 HA LYS 33 2.242 10.441 2.906 227 HB2 LYS 33 2HB LYS 33 2.185 11.161 0.724 228 HB3 LYS 33 1HB LYS 33 3.233 9.767 0.615 229 HG2 LYS 33 2HG LYS 33 1.922 9.418 -1.188 230 HG3 LYS 33 1HG LYS 33 0.972 8.558 0.024 231 HD2 LYS 33 2HD LYS 33 -0.505 9.956 -1.274 232 HD3 LYS 33 1HD LYS 33 -0.382 10.608 0.358 233 HE2 LYS 33 2HE LYS 33 1.352 12.203 -0.499 234 HE3 LYS 33 1HE LYS 33 0.993 11.625 -2.123 235 HZ1 LYS 33 3HZ LYS 33 -1.267 12.363 -1.869 236 HZ2 LYS 33 1HZ LYS 33 -0.220 13.656 -1.562 237 HZ3 LYS 33 2HZ LYS 33 -0.979 12.851 -0.278 238 H VAL 34 H VAL 34 0.230 7.748 1.798 239 HA VAL 34 HA VAL 34 -2.191 9.257 2.212 240 HB VAL 34 HB VAL 34 -3.323 7.271 1.531 241 HG11 VAL 34 1HG1 VAL 34 -2.346 6.877 -0.670 242 HG12 VAL 34 2HG1 VAL 34 -0.858 7.652 -0.131 243 HG13 VAL 34 3HG1 VAL 34 -2.347 8.589 -0.246 244 HG21 VAL 34 3HG2 VAL 34 -2.046 5.615 2.773 245 HG22 VAL 34 1HG2 VAL 34 -0.688 5.838 1.669 246 HG23 VAL 34 2HG2 VAL 34 -2.203 5.155 1.077 247 H GLY 35 H GLY 35 -0.015 7.504 4.089 248 HA2 GLY 35 2HA GLY 35 -0.025 7.150 6.373 249 HA3 GLY 35 1HA GLY 35 -1.691 7.702 6.423 250 H LEU 36 H LEU 36 -0.560 5.140 4.309 251 HA LEU 36 HA LEU 36 -2.644 3.426 5.285 252 HB2 LEU 36 2HB LEU 36 -1.772 3.600 2.880 253 HB3 LEU 36 1HB LEU 36 -0.451 2.579 3.419 254 HG LEU 36 HG LEU 36 -2.326 0.988 4.243 255 HD11 LEU 36 1HD1 LEU 36 -4.375 1.105 2.933 256 HD12 LEU 36 2HD1 LEU 36 -3.829 2.608 2.196 257 HD13 LEU 36 3HD1 LEU 36 -4.170 2.546 3.924 258 HD21 LEU 36 3HD2 LEU 36 -2.406 -0.102 2.064 259 HD22 LEU 36 1HD2 LEU 36 -0.779 0.456 2.450 260 HD23 LEU 36 2HD2 LEU 36 -1.773 1.359 1.306 261 H ALA 37 H ALA 37 0.776 3.737 5.811 262 HA ALA 37 HA ALA 37 1.202 1.099 6.807 263 HB1 ALA 37 1HB ALA 37 2.834 3.606 7.181 264 HB2 ALA 37 2HB ALA 37 3.041 2.401 5.911 265 HB3 ALA 37 3HB ALA 37 3.358 1.974 7.592 266 H ALA 38 H ALA 38 -0.203 3.912 8.122 267 HA ALA 38 HA ALA 38 0.022 2.823 10.846 268 HB1 ALA 38 1HB ALA 38 -0.588 5.043 11.642 269 HB2 ALA 38 2HB ALA 38 -0.766 5.605 9.979 270 HB3 ALA 38 3HB ALA 38 0.820 5.125 10.585 271 H LYS 39 H LYS 39 -1.799 1.904 8.690 272 HA LYS 39 HA LYS 39 -4.429 2.770 9.586 273 HB2 LYS 39 2HB LYS 39 -3.491 0.951 7.375 274 HB3 LYS 39 1HB LYS 39 -5.190 1.130 7.788 275 HG2 LYS 39 2HG LYS 39 -3.444 3.471 7.091 276 HG3 LYS 39 1HG LYS 39 -4.332 2.543 5.881 277 HD2 LYS 39 2HD LYS 39 -6.432 3.070 6.966 278 HD3 LYS 39 1HD LYS 39 -5.580 3.906 8.263 279 HE2 LYS 39 2HE LYS 39 -5.293 4.742 5.398 280 HE3 LYS 39 1HE LYS 39 -6.624 5.320 6.398 281 HZ1 LYS 39 3HZ LYS 39 -4.767 6.862 6.410 282 HZ2 LYS 39 1HZ LYS 39 -3.738 5.657 7.011 283 HZ3 LYS 39 2HZ LYS 39 -5.024 6.222 7.955 284 H SER 40 H SER 40 -6.091 1.149 10.045 285 HA SER 40 HA SER 40 -5.159 -0.616 12.111 286 HB2 SER 40 2HB SER 40 -7.965 -0.194 11.068 287 HB3 SER 40 1HB SER 40 -7.515 -0.922 12.608 288 HG SER 40 HG SER 40 -8.150 1.370 12.634 289 HA PRO 41 HA PRO 41 -4.719 -4.472 10.110 290 HB2 PRO 41 2HB PRO 41 -6.758 -5.525 12.018 291 HB3 PRO 41 1HB PRO 41 -5.163 -6.168 11.609 292 HG2 PRO 41 2HG PRO 41 -5.544 -4.841 13.881 293 HG3 PRO 41 1HG PRO 41 -4.054 -4.628 12.942 294 HD2 PRO 41 2HD PRO 41 -6.382 -2.801 13.245 295 HD3 PRO 41 1HD PRO 41 -4.668 -2.418 12.997 296 H ALA 42 H ALA 42 -8.164 -4.146 11.048 297 HA ALA 42 HA ALA 42 -9.116 -5.773 8.955 298 HB1 ALA 42 1HB ALA 42 -11.331 -4.932 9.529 299 HB2 ALA 42 2HB ALA 42 -10.602 -3.656 10.503 300 HB3 ALA 42 3HB ALA 42 -10.411 -5.343 10.976 301 H ASP 43 H ASP 43 -8.418 -2.350 9.111 302 HA ASP 43 HA ASP 43 -9.777 -1.700 6.681 303 HB2 ASP 43 2HB ASP 43 -9.329 0.027 8.344 304 HB3 ASP 43 1HB ASP 43 -7.596 -0.209 8.145 305 H ILE 44 H ILE 44 -6.362 -2.245 7.527 306 HA ILE 44 HA ILE 44 -5.422 -2.112 4.884 307 HB ILE 44 HB ILE 44 -4.318 -2.700 7.450 308 HG12 ILE 44 2HG1 ILE 44 -2.967 -2.166 4.797 309 HG13 ILE 44 1HG1 ILE 44 -3.670 -0.932 5.839 310 HG21 ILE 44 1HG2 ILE 44 -2.619 -4.352 6.876 311 HG22 ILE 44 2HG2 ILE 44 -3.381 -4.599 5.304 312 HG23 ILE 44 3HG2 ILE 44 -4.239 -5.042 6.781 313 HD11 ILE 44 3HD1 ILE 44 -1.375 -2.741 6.555 314 HD12 ILE 44 1HD1 ILE 44 -2.052 -1.466 7.570 315 HD13 ILE 44 2HD1 ILE 44 -1.250 -1.053 6.052 316 H LYS 45 H LYS 45 -7.185 -4.535 6.574 317 HA LYS 45 HA LYS 45 -6.622 -6.743 4.899 318 HB2 LYS 45 2HB LYS 45 -7.655 -7.047 7.080 319 HB3 LYS 45 1HB LYS 45 -9.065 -6.131 6.570 320 HG2 LYS 45 2HG LYS 45 -9.497 -8.530 6.576 321 HG3 LYS 45 1HG LYS 45 -9.633 -7.851 4.957 322 HD2 LYS 45 2HD LYS 45 -8.456 -9.988 4.921 323 HD3 LYS 45 1HD LYS 45 -7.399 -8.675 4.414 324 HE2 LYS 45 2HE LYS 45 -6.233 -10.209 5.902 325 HE3 LYS 45 1HE LYS 45 -6.400 -8.620 6.645 326 HZ1 LYS 45 3HZ LYS 45 -6.881 -10.404 8.203 327 HZ2 LYS 45 1HZ LYS 45 -8.123 -10.972 7.205 328 HZ3 LYS 45 2HZ LYS 45 -8.255 -9.454 7.939 329 H LYS 46 H LYS 46 -9.204 -4.255 4.771 330 HA LYS 46 HA LYS 46 -10.306 -5.368 2.383 331 HB2 LYS 46 2HB LYS 46 -11.523 -3.208 2.135 332 HB3 LYS 46 1HB LYS 46 -11.759 -3.976 3.691 333 HG2 LYS 46 2HG LYS 46 -11.536 -1.732 4.206 334 HG3 LYS 46 1HG LYS 46 -9.935 -2.388 4.537 335 HD2 LYS 46 2HD LYS 46 -9.117 -0.783 3.224 336 HD3 LYS 46 1HD LYS 46 -9.845 -1.632 1.860 337 HE2 LYS 46 2HE LYS 46 -10.487 0.722 1.884 338 HE3 LYS 46 1HE LYS 46 -11.885 -0.322 2.125 339 HZ1 LYS 46 3HZ LYS 46 -10.414 0.912 4.390 340 HZ2 LYS 46 1HZ LYS 46 -11.952 0.202 4.400 341 HZ3 LYS 46 2HZ LYS 46 -11.714 1.679 3.618 342 H VAL 47 H VAL 47 -7.677 -3.218 3.080 343 HA VAL 47 HA VAL 47 -7.187 -2.321 0.456 344 HB VAL 47 HB VAL 47 -5.181 -2.932 2.637 345 HG11 VAL 47 1HG1 VAL 47 -4.887 -1.240 0.158 346 HG12 VAL 47 2HG1 VAL 47 -4.149 -2.821 0.421 347 HG13 VAL 47 3HG1 VAL 47 -3.677 -1.449 1.423 348 HG21 VAL 47 3HG2 VAL 47 -6.902 -1.276 3.262 349 HG22 VAL 47 1HG2 VAL 47 -6.444 -0.304 1.865 350 HG23 VAL 47 2HG2 VAL 47 -5.287 -0.579 3.167 351 H PHE 48 H PHE 48 -6.327 -5.225 2.212 352 HA PHE 48 HA PHE 48 -4.725 -6.454 0.289 353 HB2 PHE 48 2HB PHE 48 -6.481 -7.627 2.431 354 HB3 PHE 48 1HB PHE 48 -5.407 -8.593 1.432 355 HD1 PHE 48 2HD PHE 48 -3.229 -6.293 1.416 356 HD2 PHE 48 1HD PHE 48 -5.383 -8.349 4.457 357 HE1 PHE 48 2HE PHE 48 -1.392 -5.885 2.992 358 HE2 PHE 48 1HE PHE 48 -3.547 -7.944 6.038 359 HZ PHE 48 HZ PHE 48 -1.546 -6.713 5.304 360 H GLU 49 H GLU 49 -8.211 -6.230 0.556 361 HA GLU 49 HA GLU 49 -8.565 -8.111 -1.613 362 HB2 GLU 49 2HB GLU 49 -10.858 -7.942 -1.279 363 HB3 GLU 49 1HB GLU 49 -10.198 -7.712 0.333 364 HG2 GLU 49 2HG GLU 49 -10.518 -5.323 0.154 365 HG3 GLU 49 1HG GLU 49 -11.126 -5.513 -1.492 366 H ILE 50 H ILE 50 -7.894 -4.775 -1.332 367 HA ILE 50 HA ILE 50 -9.101 -3.934 -3.769 368 HB ILE 50 HB ILE 50 -6.703 -2.653 -2.450 369 HG12 ILE 50 2HG1 ILE 50 -9.630 -2.003 -2.047 370 HG13 ILE 50 1HG1 ILE 50 -8.645 -2.897 -0.893 371 HG21 ILE 50 1HG2 ILE 50 -7.512 -0.629 -3.583 372 HG22 ILE 50 2HG2 ILE 50 -8.800 -1.570 -4.331 373 HG23 ILE 50 3HG2 ILE 50 -7.118 -1.906 -4.731 374 HD11 ILE 50 3HD1 ILE 50 -8.746 -0.658 -0.133 375 HD12 ILE 50 1HD1 ILE 50 -8.349 -0.028 -1.733 376 HD13 ILE 50 2HD1 ILE 50 -7.129 -0.899 -0.804 377 H ILE 51 H ILE 51 -5.822 -5.183 -2.988 378 HA ILE 51 HA ILE 51 -4.800 -4.786 -5.610 379 HB ILE 51 HB ILE 51 -3.259 -6.867 -5.004 380 HG12 ILE 51 2HG1 ILE 51 -4.887 -7.094 -2.855 381 HG13 ILE 51 1HG1 ILE 51 -3.188 -7.563 -2.794 382 HG21 ILE 51 1HG2 ILE 51 -3.008 -4.210 -3.597 383 HG22 ILE 51 2HG2 ILE 51 -2.552 -4.543 -5.266 384 HG23 ILE 51 3HG2 ILE 51 -1.704 -5.351 -3.945 385 HD11 ILE 51 3HD1 ILE 51 -3.409 -6.287 -0.901 386 HD12 ILE 51 1HD1 ILE 51 -4.548 -5.159 -1.646 387 HD13 ILE 51 2HD1 ILE 51 -2.833 -5.091 -2.053 388 H ASP 52 H ASP 52 -6.866 -7.166 -4.207 389 HA ASP 52 HA ASP 52 -6.738 -8.879 -6.531 390 HB2 ASP 52 2HB ASP 52 -7.273 -9.635 -4.094 391 HB3 ASP 52 1HB ASP 52 -8.885 -9.002 -4.422 392 H GLN 53 H GLN 53 -7.320 -6.967 -7.962 393 HA GLN 53 HA GLN 53 -9.666 -5.498 -7.791 394 HB2 GLN 53 2HB GLN 53 -7.928 -4.959 -9.412 395 HB3 GLN 53 1HB GLN 53 -8.246 -6.454 -10.285 396 HG2 GLN 53 2HG GLN 53 -10.595 -5.598 -10.636 397 HG3 GLN 53 1HG GLN 53 -10.022 -4.047 -10.032 398 HE21 GLN 53 1HE2 GLN 53 -8.080 -6.208 -11.986 399 HE22 GLN 53 2HE2 GLN 53 -8.043 -5.205 -13.388 400 H ASP 54 H ASP 54 -9.108 -8.655 -9.131 401 HA ASP 54 HA ASP 54 -11.735 -8.950 -10.260 402 HB2 ASP 54 2HB ASP 54 -9.795 -10.095 -11.219 403 HB3 ASP 54 1HB ASP 54 -9.581 -11.003 -9.727 404 H LYS 55 H LYS 55 -10.423 -9.388 -7.128 405 HA LYS 55 HA LYS 55 -11.194 -10.278 -5.186 406 HB2 LYS 55 2HB LYS 55 -13.735 -9.619 -6.623 407 HB3 LYS 55 1HB LYS 55 -13.776 -10.341 -5.024 408 HG2 LYS 55 2HG LYS 55 -12.297 -7.803 -5.664 409 HG3 LYS 55 1HG LYS 55 -13.971 -7.840 -5.114 410 HD2 LYS 55 2HD LYS 55 -11.605 -8.959 -3.607 411 HD3 LYS 55 1HD LYS 55 -12.400 -7.422 -3.267 412 HE2 LYS 55 2HE LYS 55 -14.523 -8.706 -2.901 413 HE3 LYS 55 1HE LYS 55 -13.577 -10.188 -3.026 414 HZ1 LYS 55 3HZ LYS 55 -13.867 -9.585 -0.730 415 HZ2 LYS 55 1HZ LYS 55 -13.225 -8.040 -1.003 416 HZ3 LYS 55 2HZ LYS 55 -12.237 -9.411 -1.141 417 H SER 56 H SER 56 -10.131 -12.232 -6.219 418 HA SER 56 HA SER 56 -12.064 -14.448 -6.395 419 HB2 SER 56 2HB SER 56 -9.850 -15.323 -7.765 420 HB3 SER 56 1HB SER 56 -11.295 -14.640 -8.514 421 HG SER 56 HG SER 56 -10.131 -13.037 -9.141 422 H ASP 57 H ASP 57 -9.935 -13.074 -4.460 423 HA ASP 57 HA ASP 57 -8.869 -13.735 -2.572 424 HB2 ASP 57 2HB ASP 57 -9.673 -16.521 -3.418 425 HB3 ASP 57 1HB ASP 57 -8.777 -16.170 -1.944 426 H PHE 58 H PHE 58 -7.925 -13.992 -5.563 427 HA PHE 58 HA PHE 58 -5.166 -14.640 -4.804 428 HB2 PHE 58 2HB PHE 58 -6.510 -15.505 -7.380 429 HB3 PHE 58 1HB PHE 58 -4.792 -15.669 -7.028 430 HD1 PHE 58 1HD PHE 58 -3.999 -17.334 -5.459 431 HD2 PHE 58 2HD PHE 58 -8.140 -16.952 -6.353 432 HE1 PHE 58 1HE PHE 58 -4.418 -19.533 -4.443 433 HE2 PHE 58 2HE PHE 58 -8.566 -19.150 -5.337 434 HZ PHE 58 HZ PHE 58 -6.704 -20.441 -4.381 435 H VAL 59 H VAL 59 -3.890 -12.964 -5.216 436 HA VAL 59 HA VAL 59 -4.910 -10.834 -6.961 437 HB VAL 59 HB VAL 59 -2.804 -10.751 -4.818 438 HG11 VAL 59 1HG1 VAL 59 -4.018 -8.406 -6.187 439 HG12 VAL 59 2HG1 VAL 59 -2.525 -9.166 -6.740 440 HG13 VAL 59 3HG1 VAL 59 -2.613 -8.471 -5.123 441 HG21 VAL 59 3HG2 VAL 59 -4.390 -9.511 -3.508 442 HG22 VAL 59 1HG2 VAL 59 -5.075 -11.073 -3.959 443 HG23 VAL 59 2HG2 VAL 59 -5.569 -9.611 -4.813 444 H GLU 60 H GLU 60 -4.102 -10.878 -8.954 445 HA GLU 60 HA GLU 60 -1.468 -12.020 -9.438 446 HB2 GLU 60 2HB GLU 60 -3.527 -11.083 -11.424 447 HB3 GLU 60 1HB GLU 60 -2.094 -12.044 -11.766 448 HG2 GLU 60 2HG GLU 60 -4.370 -12.906 -10.020 449 HG3 GLU 60 1HG GLU 60 -4.147 -13.384 -11.701 450 H GLU 61 H GLU 61 -0.483 -10.816 -11.587 451 HA GLU 61 HA GLU 61 0.462 -8.274 -10.598 452 HB2 GLU 61 2HB GLU 61 2.010 -9.808 -11.672 453 HB3 GLU 61 1HB GLU 61 1.035 -9.835 -13.129 454 HG2 GLU 61 2HG GLU 61 2.224 -7.265 -12.171 455 HG3 GLU 61 1HG GLU 61 3.208 -8.435 -13.039 456 H ASP 62 H ASP 62 -1.323 -9.338 -13.487 457 HA ASP 62 HA ASP 62 -1.677 -6.728 -14.510 458 HB2 ASP 62 2HB ASP 62 -3.275 -7.694 -16.044 459 HB3 ASP 62 1HB ASP 62 -1.903 -8.792 -15.865 460 H GLU 63 H GLU 63 -3.290 -8.539 -12.065 461 HA GLU 63 HA GLU 63 -5.597 -6.923 -11.835 462 HB2 GLU 63 2HB GLU 63 -4.134 -8.728 -9.943 463 HB3 GLU 63 1HB GLU 63 -5.433 -7.695 -9.359 464 HG2 GLU 63 2HG GLU 63 -6.900 -8.709 -11.109 465 HG3 GLU 63 1HG GLU 63 -5.604 -9.867 -11.421 466 H LEU 64 H LEU 64 -2.308 -6.671 -10.583 467 HA LEU 64 HA LEU 64 -2.920 -4.483 -8.895 468 HB2 LEU 64 2HB LEU 64 -0.556 -5.992 -9.525 469 HB3 LEU 64 1HB LEU 64 -0.223 -4.270 -9.399 470 HG LEU 64 HG LEU 64 -1.801 -4.641 -7.232 471 HD11 LEU 64 1HD1 LEU 64 -0.990 -6.654 -6.084 472 HD12 LEU 64 2HD1 LEU 64 -0.229 -7.173 -7.588 473 HD13 LEU 64 3HD1 LEU 64 -1.980 -7.005 -7.498 474 HD21 LEU 64 3HD2 LEU 64 1.186 -4.893 -7.424 475 HD22 LEU 64 1HD2 LEU 64 0.290 -4.608 -5.932 476 HD23 LEU 64 2HD2 LEU 64 0.244 -3.414 -7.230 477 H LYS 65 H LYS 65 -2.242 -4.782 -12.233 478 HA LYS 65 HA LYS 65 -1.406 -2.143 -12.762 479 HB2 LYS 65 2HB LYS 65 -2.264 -4.443 -14.284 480 HB3 LYS 65 1HB LYS 65 -2.984 -2.981 -14.940 481 HG2 LYS 65 2HG LYS 65 -0.810 -3.642 -15.967 482 HG3 LYS 65 1HG LYS 65 -0.856 -2.000 -15.320 483 HD2 LYS 65 2HD LYS 65 0.347 -2.675 -13.364 484 HD3 LYS 65 1HD LYS 65 0.254 -4.375 -13.832 485 HE2 LYS 65 2HE LYS 65 1.706 -2.209 -15.348 486 HE3 LYS 65 1HE LYS 65 2.459 -3.395 -14.279 487 HZ1 LYS 65 3HZ LYS 65 2.652 -4.060 -16.576 488 HZ2 LYS 65 1HZ LYS 65 0.972 -4.005 -16.774 489 HZ3 LYS 65 2HZ LYS 65 1.667 -5.151 -15.733 490 H LEU 66 H LEU 66 -4.639 -3.603 -12.711 491 HA LEU 66 HA LEU 66 -5.791 -0.911 -12.854 492 HB2 LEU 66 2HB LEU 66 -6.756 -3.617 -13.591 493 HB3 LEU 66 1HB LEU 66 -7.948 -2.437 -13.080 494 HG LEU 66 HG LEU 66 -7.606 -1.078 -14.933 495 HD11 LEU 66 1HD1 LEU 66 -5.148 -0.892 -14.678 496 HD12 LEU 66 2HD1 LEU 66 -5.658 -1.086 -16.359 497 HD13 LEU 66 3HD1 LEU 66 -4.979 -2.455 -15.482 498 HD21 LEU 66 3HD2 LEU 66 -7.627 -2.535 -16.893 499 HD22 LEU 66 1HD2 LEU 66 -8.607 -3.205 -15.589 500 HD23 LEU 66 2HD2 LEU 66 -7.004 -3.867 -15.917 501 H PHE 67 H PHE 67 -4.784 -2.918 -10.564 502 HA PHE 67 HA PHE 67 -6.682 -3.044 -8.559 503 HB2 PHE 67 2HB PHE 67 -4.765 -4.020 -7.818 504 HB3 PHE 67 1HB PHE 67 -3.753 -2.955 -8.776 505 HD1 PHE 67 1HD PHE 67 -5.781 -2.927 -5.646 506 HD2 PHE 67 2HD PHE 67 -2.372 -1.478 -7.726 507 HE1 PHE 67 1HE PHE 67 -5.021 -1.788 -3.601 508 HE2 PHE 67 2HE PHE 67 -1.606 -0.333 -5.689 509 HZ PHE 67 HZ PHE 67 -2.932 -0.488 -3.621 510 H LEU 68 H LEU 68 -4.842 -0.359 -9.794 511 HA LEU 68 HA LEU 68 -5.351 1.496 -7.738 512 HB2 LEU 68 2HB LEU 68 -4.808 2.056 -10.654 513 HB3 LEU 68 1HB LEU 68 -4.667 3.208 -9.347 514 HG LEU 68 HG LEU 68 -2.468 2.600 -9.875 515 HD11 LEU 68 1HD1 LEU 68 -3.304 0.924 -7.516 516 HD12 LEU 68 2HD1 LEU 68 -2.854 2.629 -7.487 517 HD13 LEU 68 3HD1 LEU 68 -1.651 1.405 -7.896 518 HD21 LEU 68 3HD2 LEU 68 -1.664 0.399 -10.247 519 HD22 LEU 68 1HD2 LEU 68 -3.133 0.578 -11.212 520 HD23 LEU 68 2HD2 LEU 68 -3.172 -0.319 -9.690 521 H GLN 69 H GLN 69 -6.994 0.754 -10.767 522 HA GLN 69 HA GLN 69 -8.992 2.749 -10.516 523 HB2 GLN 69 2HB GLN 69 -9.001 0.127 -12.021 524 HB3 GLN 69 1HB GLN 69 -10.251 1.354 -12.163 525 HG2 GLN 69 2HG GLN 69 -8.565 2.944 -12.986 526 HG3 GLN 69 1HG GLN 69 -7.350 1.668 -12.899 527 HE21 GLN 69 1HE2 GLN 69 -6.963 1.811 -15.116 528 HE22 GLN 69 2HE2 GLN 69 -8.075 1.173 -16.277 529 H ASN 70 H ASN 70 -8.453 -0.270 -9.009 530 HA ASN 70 HA ASN 70 -11.213 -0.647 -8.187 531 HB2 ASN 70 2HB ASN 70 -9.641 -2.571 -8.592 532 HB3 ASN 70 1HB ASN 70 -8.735 -2.063 -7.172 533 HD21 ASN 70 1HD2 ASN 70 -9.115 -3.971 -6.077 534 HD22 ASN 70 2HD2 ASN 70 -10.671 -4.388 -5.446 535 H PHE 71 H PHE 71 -8.268 0.743 -7.008 536 HA PHE 71 HA PHE 71 -9.203 1.176 -4.323 537 HB2 PHE 71 2HB PHE 71 -6.753 1.025 -5.186 538 HB3 PHE 71 1HB PHE 71 -6.972 2.707 -5.650 539 HD1 PHE 71 2HD PHE 71 -8.078 4.164 -3.630 540 HD2 PHE 71 1HD PHE 71 -5.706 0.657 -3.201 541 HE1 PHE 71 2HE PHE 71 -7.476 4.854 -1.348 542 HE2 PHE 71 1HE PHE 71 -5.099 1.343 -0.918 543 HZ PHE 71 HZ PHE 71 -5.984 3.443 0.011 544 H SER 72 H SER 72 -8.583 3.253 -7.141 545 HA SER 72 HA SER 72 -10.840 4.952 -6.482 546 HB2 SER 72 2HB SER 72 -8.031 6.086 -6.651 547 HB3 SER 72 1HB SER 72 -9.515 7.013 -6.425 548 HG SER 72 HG SER 72 -9.392 5.092 -4.568 549 H ALA 73 H ALA 73 -11.668 5.938 -8.288 550 HA ALA 73 HA ALA 73 -11.046 4.711 -10.756 551 HB1 ALA 73 1HB ALA 73 -13.307 5.426 -10.143 552 HB2 ALA 73 2HB ALA 73 -12.800 6.109 -11.687 553 HB3 ALA 73 3HB ALA 73 -12.795 7.110 -10.235 554 H GLY 74 H GLY 74 -10.009 7.681 -9.290 555 HA2 GLY 74 2HA GLY 74 -8.923 8.656 -11.829 556 HA3 GLY 74 1HA GLY 74 -8.991 9.554 -10.323 557 H ALA 75 H ALA 75 -7.868 6.379 -9.915 558 HA ALA 75 HA ALA 75 -5.204 7.369 -9.346 559 HB1 ALA 75 1HB ALA 75 -6.393 4.616 -9.019 560 HB2 ALA 75 2HB ALA 75 -6.243 5.848 -7.766 561 HB3 ALA 75 3HB ALA 75 -4.797 5.112 -8.455 562 H ARG 76 H ARG 76 -3.381 6.915 -10.451 563 HA ARG 76 HA ARG 76 -3.635 6.157 -13.190 564 HB2 ARG 76 2HB ARG 76 -1.209 6.803 -11.510 565 HB3 ARG 76 1HB ARG 76 -1.178 6.554 -13.250 566 HG2 ARG 76 2HG ARG 76 -2.750 8.708 -11.851 567 HG3 ARG 76 1HG ARG 76 -1.183 8.932 -12.634 568 HD2 ARG 76 2HD ARG 76 -2.141 8.238 -14.767 569 HD3 ARG 76 1HD ARG 76 -3.703 7.985 -13.991 570 HE ARG 76 HE ARG 76 -3.150 10.573 -13.435 571 HH11 ARG 76 1HH1 ARG 76 -3.179 8.710 -16.390 572 HH12 ARG 76 2HH1 ARG 76 -3.659 10.048 -17.380 573 HH21 ARG 76 1HH2 ARG 76 -3.779 12.336 -14.732 574 HH22 ARG 76 2HH2 ARG 76 -4.001 12.114 -16.438 575 H ALA 77 H ALA 77 -3.031 4.287 -14.186 576 HA ALA 77 HA ALA 77 -2.726 1.940 -12.621 577 HB1 ALA 77 1HB ALA 77 -2.233 2.345 -15.570 578 HB2 ALA 77 2HB ALA 77 -3.759 1.861 -14.827 579 HB3 ALA 77 3HB ALA 77 -2.359 0.786 -14.752 580 H LEU 78 H LEU 78 -0.975 1.324 -11.597 581 HA LEU 78 HA LEU 78 1.565 2.523 -11.978 582 HB2 LEU 78 2HB LEU 78 0.847 -0.007 -10.496 583 HB3 LEU 78 1HB LEU 78 2.342 0.890 -10.333 584 HG LEU 78 HG LEU 78 -0.404 1.817 -9.509 585 HD11 LEU 78 1HD1 LEU 78 0.552 1.762 -7.259 586 HD12 LEU 78 2HD1 LEU 78 2.057 1.119 -7.919 587 HD13 LEU 78 3HD1 LEU 78 0.572 0.172 -8.024 588 HD21 LEU 78 3HD2 LEU 78 0.838 3.715 -10.355 589 HD22 LEU 78 1HD2 LEU 78 2.240 3.265 -9.381 590 HD23 LEU 78 2HD2 LEU 78 0.753 3.792 -8.595 591 H SER 79 H SER 79 2.943 2.094 -13.579 592 HA SER 79 HA SER 79 2.777 -0.559 -14.840 593 HB2 SER 79 2HB SER 79 3.153 2.059 -16.305 594 HB3 SER 79 1HB SER 79 2.936 0.464 -17.023 595 HG SER 79 HG SER 79 1.012 1.757 -15.373 596 H ASP 80 H ASP 80 4.649 -1.074 -16.210 597 HA ASP 80 HA ASP 80 6.844 -1.326 -16.653 598 HB2 ASP 80 2HB ASP 80 6.977 1.548 -15.734 599 HB3 ASP 80 1HB ASP 80 8.324 0.683 -16.462 600 H ALA 81 H ALA 81 8.636 0.545 -14.749 601 HA ALA 81 HA ALA 81 9.540 -1.734 -13.331 602 HB1 ALA 81 1HB ALA 81 10.355 1.153 -13.033 603 HB2 ALA 81 2HB ALA 81 11.086 -0.026 -14.124 604 HB3 ALA 81 3HB ALA 81 11.221 -0.236 -12.379 605 H GLU 82 H GLU 82 7.400 0.890 -12.576 606 HA GLU 82 HA GLU 82 7.458 0.834 -9.781 607 HB2 GLU 82 2HB GLU 82 6.268 2.596 -10.781 608 HB3 GLU 82 1HB GLU 82 5.354 1.515 -11.821 609 HG2 GLU 82 2HG GLU 82 3.924 2.432 -10.130 610 HG3 GLU 82 1HG GLU 82 4.130 0.702 -9.883 611 H THR 83 H THR 83 5.391 -1.054 -12.036 612 HA THR 83 HA THR 83 4.327 -2.586 -9.892 613 HB THR 83 HB THR 83 4.282 -4.061 -12.359 614 HG1 THR 83 1HG THR 83 2.883 -1.658 -12.673 615 HG21 THR 83 3HG2 THR 83 1.861 -3.882 -12.020 616 HG22 THR 83 1HG2 THR 83 2.128 -2.671 -10.764 617 HG23 THR 83 2HG2 THR 83 2.690 -4.329 -10.526 618 H LYS 84 H LYS 84 6.885 -3.304 -12.324 619 HA LYS 84 HA LYS 84 7.338 -5.910 -11.546 620 HB2 LYS 84 2HB LYS 84 9.384 -3.875 -12.451 621 HB3 LYS 84 1HB LYS 84 9.646 -5.607 -12.389 622 HG2 LYS 84 2HG LYS 84 7.664 -4.165 -14.122 623 HG3 LYS 84 1HG LYS 84 9.169 -4.923 -14.644 624 HD2 LYS 84 2HD LYS 84 8.293 -7.107 -13.876 625 HD3 LYS 84 1HD LYS 84 6.771 -6.323 -13.456 626 HE2 LYS 84 2HE LYS 84 6.539 -7.393 -15.595 627 HE3 LYS 84 1HE LYS 84 6.514 -5.646 -15.819 628 HZ1 LYS 84 3HZ LYS 84 8.813 -5.730 -16.521 629 HZ2 LYS 84 1HZ LYS 84 7.882 -6.762 -17.479 630 HZ3 LYS 84 2HZ LYS 84 8.872 -7.398 -16.267 631 H VAL 85 H VAL 85 8.956 -3.007 -10.247 632 HA VAL 85 HA VAL 85 10.463 -4.578 -8.376 633 HB VAL 85 HB VAL 85 10.071 -1.591 -8.373 634 HG11 VAL 85 1HG1 VAL 85 11.033 -2.499 -6.328 635 HG12 VAL 85 2HG1 VAL 85 12.226 -1.564 -7.227 636 HG13 VAL 85 3HG1 VAL 85 12.273 -3.327 -7.267 637 HG21 VAL 85 3HG2 VAL 85 12.082 -1.454 -9.730 638 HG22 VAL 85 1HG2 VAL 85 10.821 -2.361 -10.568 639 HG23 VAL 85 2HG2 VAL 85 12.167 -3.214 -9.807 640 H PHE 86 H PHE 86 7.704 -2.352 -8.125 641 HA PHE 86 HA PHE 86 7.749 -2.597 -5.252 642 HB2 PHE 86 2HB PHE 86 6.422 -0.835 -7.238 643 HB3 PHE 86 1HB PHE 86 5.776 -0.922 -5.615 644 HD1 PHE 86 2HD PHE 86 7.763 -0.879 -3.757 645 HD2 PHE 86 1HD PHE 86 7.863 0.905 -7.617 646 HE1 PHE 86 2HE PHE 86 9.486 0.690 -2.978 647 HE2 PHE 86 1HE PHE 86 9.597 2.477 -6.841 648 HZ PHE 86 HZ PHE 86 10.404 2.370 -4.522 649 H LEU 87 H LEU 87 5.929 -3.930 -7.864 650 HA LEU 87 HA LEU 87 3.863 -4.983 -6.135 651 HB2 LEU 87 2HB LEU 87 2.972 -4.787 -8.213 652 HB3 LEU 87 1HB LEU 87 4.507 -4.943 -9.009 653 HG LEU 87 HG LEU 87 2.893 -6.608 -9.736 654 HD11 LEU 87 1HD1 LEU 87 5.218 -7.192 -9.907 655 HD12 LEU 87 2HD1 LEU 87 4.260 -8.617 -9.502 656 HD13 LEU 87 3HD1 LEU 87 5.213 -7.812 -8.255 657 HD21 LEU 87 3HD2 LEU 87 2.994 -7.675 -6.946 658 HD22 LEU 87 1HD2 LEU 87 2.131 -8.375 -8.312 659 HD23 LEU 87 2HD2 LEU 87 1.635 -6.808 -7.666 660 H LYS 88 H LYS 88 7.012 -5.939 -7.377 661 HA LYS 88 HA LYS 88 6.917 -8.525 -6.135 662 HB2 LYS 88 2HB LYS 88 9.111 -6.882 -7.347 663 HB3 LYS 88 1HB LYS 88 9.480 -8.344 -6.443 664 HG2 LYS 88 2HG LYS 88 7.628 -8.241 -8.809 665 HG3 LYS 88 1HG LYS 88 9.333 -8.690 -8.885 666 HD2 LYS 88 2HD LYS 88 8.879 -10.498 -7.261 667 HD3 LYS 88 1HD LYS 88 7.165 -10.091 -7.332 668 HE2 LYS 88 2HE LYS 88 7.734 -11.993 -8.787 669 HE3 LYS 88 1HE LYS 88 7.090 -10.620 -9.687 670 HZ1 LYS 88 3HZ LYS 88 9.322 -10.011 -10.321 671 HZ2 LYS 88 1HZ LYS 88 9.016 -11.610 -10.773 672 HZ3 LYS 88 2HZ LYS 88 9.971 -11.286 -9.418 673 H ALA 89 H ALA 89 7.419 -5.348 -4.979 674 HA ALA 89 HA ALA 89 9.109 -5.684 -2.806 675 HB1 ALA 89 1HB ALA 89 7.975 -3.815 -1.756 676 HB2 ALA 89 2HB ALA 89 6.590 -4.014 -2.830 677 HB3 ALA 89 3HB ALA 89 8.152 -3.507 -3.484 678 H GLY 90 H GLY 90 5.725 -6.518 -3.164 679 HA2 GLY 90 2HA GLY 90 5.569 -7.523 -0.443 680 HA3 GLY 90 1HA GLY 90 4.279 -7.538 -1.640 681 H ASP 91 H ASP 91 5.339 -8.818 -3.733 682 HA ASP 91 HA ASP 91 5.085 -11.523 -3.040 683 HB2 ASP 91 2HB ASP 91 4.671 -10.489 -5.304 684 HB3 ASP 91 1HB ASP 91 6.417 -10.465 -5.530 685 H SER 92 H SER 92 6.491 -12.400 -1.660 686 HA SER 92 HA SER 92 9.305 -11.631 -1.769 687 HB2 SER 92 2HB SER 92 7.861 -13.317 0.288 688 HB3 SER 92 1HB SER 92 9.447 -12.565 0.456 689 HG SER 92 HG SER 92 7.245 -10.929 -0.142 690 H ASP 93 H ASP 93 7.164 -14.283 -2.366 691 HA ASP 93 HA ASP 93 9.343 -16.198 -2.537 692 HB2 ASP 93 2HB ASP 93 7.667 -17.870 -2.969 693 HB3 ASP 93 1HB ASP 93 7.119 -16.868 -1.634 694 H GLY 94 H GLY 94 7.987 -13.895 -4.497 695 HA2 GLY 94 2HA GLY 94 8.512 -13.254 -6.629 696 HA3 GLY 94 1HA GLY 94 9.767 -14.482 -6.603 697 H ASP 95 H ASP 95 6.233 -14.766 -6.405 698 HA ASP 95 HA ASP 95 6.422 -16.832 -8.465 699 HB2 ASP 95 2HB ASP 95 4.349 -17.687 -7.680 700 HB3 ASP 95 1HB ASP 95 5.302 -17.307 -6.251 701 H GLY 96 H GLY 96 5.381 -13.589 -8.046 702 HA2 GLY 96 2HA GLY 96 4.957 -12.275 -10.018 703 HA3 GLY 96 1HA GLY 96 4.265 -13.699 -10.777 704 H LYS 97 H LYS 97 3.490 -12.713 -7.517 705 HA LYS 97 HA LYS 97 0.903 -11.604 -8.348 706 HB2 LYS 97 2HB LYS 97 -0.399 -13.169 -7.229 707 HB3 LYS 97 1HB LYS 97 0.881 -14.207 -7.841 708 HG2 LYS 97 2HG LYS 97 2.038 -13.959 -5.628 709 HG3 LYS 97 1HG LYS 97 0.608 -13.095 -5.058 710 HD2 LYS 97 2HD LYS 97 0.448 -15.863 -6.214 711 HD3 LYS 97 1HD LYS 97 0.739 -15.569 -4.502 712 HE2 LYS 97 2HE LYS 97 -1.355 -14.293 -4.388 713 HE3 LYS 97 1HE LYS 97 -1.651 -14.645 -6.089 714 HZ1 LYS 97 3HZ LYS 97 -1.817 -16.958 -5.607 715 HZ2 LYS 97 1HZ LYS 97 -2.830 -16.141 -4.526 716 HZ3 LYS 97 2HZ LYS 97 -1.335 -16.731 -4.003 717 H ILE 98 H ILE 98 -0.244 -10.716 -6.392 718 HA ILE 98 HA ILE 98 1.672 -10.072 -4.274 719 HB ILE 98 HB ILE 98 -0.694 -8.591 -5.299 720 HG12 ILE 98 2HG1 ILE 98 1.566 -7.854 -5.813 721 HG13 ILE 98 1HG1 ILE 98 0.754 -6.660 -4.808 722 HG21 ILE 98 1HG2 ILE 98 -1.442 -8.979 -3.047 723 HG22 ILE 98 2HG2 ILE 98 -0.874 -7.314 -3.171 724 HG23 ILE 98 3HG2 ILE 98 0.139 -8.538 -2.405 725 HD11 ILE 98 3HD1 ILE 98 2.988 -6.885 -4.034 726 HD12 ILE 98 1HD1 ILE 98 2.851 -8.641 -3.958 727 HD13 ILE 98 2HD1 ILE 98 1.930 -7.637 -2.841 728 H GLY 99 H GLY 99 1.624 -11.788 -2.968 729 HA2 GLY 99 2HA GLY 99 -0.739 -13.030 -2.051 730 HA3 GLY 99 1HA GLY 99 0.798 -12.983 -1.186 731 H VAL 100 H VAL 100 -2.145 -12.431 -0.484 732 HA VAL 100 HA VAL 100 -2.486 -9.746 0.132 733 HB VAL 100 HB VAL 100 -3.562 -12.296 1.209 734 HG11 VAL 100 1HG1 VAL 100 -3.473 -11.018 3.215 735 HG12 VAL 100 2HG1 VAL 100 -5.140 -10.990 2.637 736 HG13 VAL 100 3HG1 VAL 100 -4.095 -9.589 2.394 737 HG21 VAL 100 3HG2 VAL 100 -5.666 -11.376 0.322 738 HG22 VAL 100 1HG2 VAL 100 -4.400 -11.461 -0.904 739 HG23 VAL 100 2HG2 VAL 100 -4.801 -9.915 -0.157 740 H ASP 101 H ASP 101 -1.020 -12.340 2.028 741 HA ASP 101 HA ASP 101 -0.287 -10.716 4.237 742 HB2 ASP 101 2HB ASP 101 -0.454 -13.164 4.362 743 HB3 ASP 101 1HB ASP 101 0.904 -13.315 3.251 744 H GLU 102 H GLU 102 1.263 -11.616 1.221 745 HA GLU 102 HA GLU 102 3.832 -10.609 1.755 746 HB2 GLU 102 2HB GLU 102 2.432 -10.818 -0.928 747 HB3 GLU 102 1HB GLU 102 4.164 -10.649 -0.679 748 HG2 GLU 102 2HG GLU 102 3.942 -12.845 0.673 749 HG3 GLU 102 1HG GLU 102 2.411 -13.016 -0.174 750 H PHE 103 H PHE 103 0.903 -9.089 0.521 751 HA PHE 103 HA PHE 103 2.064 -6.627 -0.251 752 HB2 PHE 103 2HB PHE 103 -0.233 -7.481 -0.898 753 HB3 PHE 103 1HB PHE 103 -0.774 -7.023 0.711 754 HD1 PHE 103 1HD PHE 103 0.720 -5.684 -2.399 755 HD2 PHE 103 2HD PHE 103 -1.431 -4.820 1.168 756 HE1 PHE 103 1HE PHE 103 0.309 -3.399 -3.209 757 HE2 PHE 103 2HE PHE 103 -1.851 -2.532 0.361 758 HZ PHE 103 HZ PHE 103 -0.980 -1.820 -1.828 759 H GLY 104 H GLY 104 0.441 -7.653 2.741 760 HA2 GLY 104 2HA GLY 104 0.536 -5.248 4.136 761 HA3 GLY 104 1HA GLY 104 0.589 -6.836 4.885 762 H ALA 105 H ALA 105 3.011 -7.707 3.740 763 HA ALA 105 HA ALA 105 4.878 -6.662 5.560 764 HB1 ALA 105 1HB ALA 105 5.412 -8.234 3.038 765 HB2 ALA 105 2HB ALA 105 5.014 -8.923 4.611 766 HB3 ALA 105 3HB ALA 105 6.517 -8.028 4.396 767 H MET 106 H MET 106 4.264 -5.896 2.143 768 HA MET 106 HA MET 106 6.638 -4.323 1.871 769 HB2 MET 106 2HB MET 106 6.055 -4.006 -0.317 770 HB3 MET 106 1HB MET 106 5.030 -5.392 0.018 771 HG2 MET 106 2HG MET 106 3.107 -4.100 0.137 772 HG3 MET 106 1HG MET 106 4.008 -2.615 0.406 773 HE1 MET 106 3HE MET 106 2.623 -5.162 -2.149 774 HE2 MET 106 1HE MET 106 4.349 -5.470 -2.338 775 HE3 MET 106 2HE MET 106 3.439 -4.718 -3.648 776 H ILE 107 H ILE 107 3.439 -3.710 3.061 777 HA ILE 107 HA ILE 107 3.516 -0.853 2.754 778 HB ILE 107 HB ILE 107 1.814 -2.459 4.686 779 HG12 ILE 107 2HG1 ILE 107 1.109 -1.555 1.887 780 HG13 ILE 107 1HG1 ILE 107 1.534 -3.207 2.327 781 HG21 ILE 107 1HG2 ILE 107 0.310 -0.528 4.584 782 HG22 ILE 107 2HG2 ILE 107 1.456 0.304 3.532 783 HG23 ILE 107 3HG2 ILE 107 1.905 -0.084 5.192 784 HD11 ILE 107 3HD1 ILE 107 -0.403 -3.295 3.820 785 HD12 ILE 107 1HD1 ILE 107 -0.866 -2.947 2.156 786 HD13 ILE 107 2HD1 ILE 107 -0.831 -1.652 3.349 787 H LYS 108 H LYS 108 4.402 -3.202 5.121 788 HA LYS 108 HA LYS 108 4.906 -1.186 7.160 789 HB2 LYS 108 2HB LYS 108 3.626 -3.135 7.777 790 HB3 LYS 108 1HB LYS 108 4.891 -4.208 7.196 791 HG2 LYS 108 2HG LYS 108 5.643 -2.291 9.323 792 HG3 LYS 108 1HG LYS 108 4.539 -3.589 9.774 793 HD2 LYS 108 2HD LYS 108 7.182 -4.006 8.384 794 HD3 LYS 108 1HD LYS 108 6.947 -4.133 10.129 795 HE2 LYS 108 2HE LYS 108 5.285 -5.918 9.738 796 HE3 LYS 108 1HE LYS 108 5.608 -5.814 8.010 797 HZ1 LYS 108 3HZ LYS 108 7.556 -6.577 10.112 798 HZ2 LYS 108 1HZ LYS 108 7.918 -6.415 8.468 799 HZ3 LYS 108 2HZ LYS 108 6.844 -7.615 8.984 800 H ALA 109 H ALA 109 6.598 -2.677 4.692 801 HA ALA 109 HA ALA 109 9.128 -2.981 6.036 802 HB1 ALA 109 1HB ALA 109 8.534 -2.993 3.078 803 HB2 ALA 109 2HB ALA 109 8.503 -4.409 4.129 804 HB3 ALA 109 3HB ALA 109 10.017 -3.548 3.856 Start of MODEL 6 1 H1 MET 1 1HT MET 1 -18.832 10.132 2.113 2 H2 MET 1 2HT MET 1 -18.420 11.557 1.301 3 H3 MET 1 3HT MET 1 -18.559 11.555 2.987 4 HA MET 1 HA MET 1 -16.250 11.561 2.308 5 HB2 MET 1 2HB MET 1 -17.037 8.873 3.453 6 HB3 MET 1 1HB MET 1 -15.480 9.663 3.618 7 HG2 MET 1 2HG MET 1 -16.532 9.977 5.668 8 HG3 MET 1 1HG MET 1 -16.720 11.515 4.830 9 HE1 MET 1 2HE MET 1 -18.547 12.077 6.720 10 HE2 MET 1 3HE MET 1 -18.430 10.462 7.419 11 HE3 MET 1 1HE MET 1 -20.005 11.122 6.983 12 H ALA 2 H ALA 2 -14.695 10.875 0.906 13 HA ALA 2 HA ALA 2 -15.483 9.324 -1.351 14 HB1 ALA 2 1HB ALA 2 -12.729 10.233 -0.515 15 HB2 ALA 2 2HB ALA 2 -13.843 11.124 -1.550 16 HB3 ALA 2 3HB ALA 2 -13.168 9.590 -2.096 17 H PHE 3 H PHE 3 -15.622 7.208 -1.436 18 HA PHE 3 HA PHE 3 -15.358 4.999 -1.028 19 HB2 PHE 3 2HB PHE 3 -12.498 5.847 -0.526 20 HB3 PHE 3 1HB PHE 3 -13.032 4.185 -0.764 21 HD1 PHE 3 1HD PHE 3 -14.296 3.699 -2.972 22 HD2 PHE 3 2HD PHE 3 -11.821 7.100 -2.346 23 HE1 PHE 3 1HE PHE 3 -14.050 3.959 -5.404 24 HE2 PHE 3 2HE PHE 3 -11.571 7.369 -4.779 25 HZ PHE 3 HZ PHE 3 -12.688 5.798 -6.311 26 H ALA 4 H ALA 4 -16.569 6.141 0.988 27 HA ALA 4 HA ALA 4 -17.267 5.754 3.104 28 HB1 ALA 4 1HB ALA 4 -15.188 3.574 3.141 29 HB2 ALA 4 2HB ALA 4 -16.855 3.403 2.594 30 HB3 ALA 4 3HB ALA 4 -16.515 3.768 4.286 31 H GLY 5 H GLY 5 -14.384 7.064 2.391 32 HA2 GLY 5 2HA GLY 5 -13.113 8.576 3.596 33 HA3 GLY 5 1HA GLY 5 -14.104 8.223 5.009 34 H ILE 6 H ILE 6 -12.986 5.380 3.654 35 HA ILE 6 HA ILE 6 -11.168 4.791 5.742 36 HB ILE 6 HB ILE 6 -11.523 3.492 3.031 37 HG12 ILE 6 2HG1 ILE 6 -13.483 3.350 4.514 38 HG13 ILE 6 1HG1 ILE 6 -12.748 1.770 4.264 39 HG21 ILE 6 1HG2 ILE 6 -9.284 3.038 3.878 40 HG22 ILE 6 2HG2 ILE 6 -10.281 1.584 3.926 41 HG23 ILE 6 3HG2 ILE 6 -9.963 2.485 5.409 42 HD11 ILE 6 3HD1 ILE 6 -12.469 3.516 6.699 43 HD12 ILE 6 1HD1 ILE 6 -11.627 1.985 6.450 44 HD13 ILE 6 2HD1 ILE 6 -13.388 2.017 6.565 45 H LEU 7 H LEU 7 -10.821 5.949 2.455 46 HA LEU 7 HA LEU 7 -8.157 6.891 3.116 47 HB2 LEU 7 2HB LEU 7 -7.215 6.170 0.984 48 HB3 LEU 7 1HB LEU 7 -7.710 4.817 1.962 49 HG LEU 7 HG LEU 7 -8.170 4.291 -0.305 50 HD11 LEU 7 1HD1 LEU 7 -9.879 3.561 1.264 51 HD12 LEU 7 2HD1 LEU 7 -10.529 3.852 -0.349 52 HD13 LEU 7 3HD1 LEU 7 -10.801 5.028 0.933 53 HD21 LEU 7 3HD2 LEU 7 -9.683 6.880 -0.518 54 HD22 LEU 7 1HD2 LEU 7 -9.622 5.626 -1.756 55 HD23 LEU 7 2HD2 LEU 7 -8.151 6.481 -1.294 56 H ASN 8 H ASN 8 -7.556 8.779 2.107 57 HA ASN 8 HA ASN 8 -9.781 10.322 1.050 58 HB2 ASN 8 2HB ASN 8 -6.922 11.140 1.649 59 HB3 ASN 8 1HB ASN 8 -8.216 12.235 1.180 60 HD21 ASN 8 1HD2 ASN 8 -10.190 10.749 2.812 61 HD22 ASN 8 2HD2 ASN 8 -9.867 11.216 4.443 62 H ASP 9 H ASP 9 -10.209 10.030 -1.004 63 HA ASP 9 HA ASP 9 -8.691 8.845 -2.955 64 HB2 ASP 9 2HB ASP 9 -11.040 9.132 -3.272 65 HB3 ASP 9 1HB ASP 9 -10.906 10.884 -3.173 66 H ALA 10 H ALA 10 -8.844 12.257 -2.135 67 HA ALA 10 HA ALA 10 -7.352 13.291 -4.266 68 HB1 ALA 10 1HB ALA 10 -8.654 14.690 -2.772 69 HB2 ALA 10 2HB ALA 10 -6.970 15.217 -2.778 70 HB3 ALA 10 3HB ALA 10 -7.596 14.273 -1.424 71 H ASP 11 H ASP 11 -6.275 12.138 -1.063 72 HA ASP 11 HA ASP 11 -3.562 12.851 -1.498 73 HB2 ASP 11 2HB ASP 11 -4.975 11.223 0.570 74 HB3 ASP 11 1HB ASP 11 -3.218 11.150 0.467 75 H ILE 12 H ILE 12 -5.363 9.862 -1.850 76 HA ILE 12 HA ILE 12 -3.232 8.209 -2.600 77 HB ILE 12 HB ILE 12 -6.163 8.207 -3.184 78 HG12 ILE 12 2HG1 ILE 12 -6.016 5.994 -2.028 79 HG13 ILE 12 1HG1 ILE 12 -4.297 6.274 -1.794 80 HG21 ILE 12 1HG2 ILE 12 -5.938 6.082 -4.414 81 HG22 ILE 12 2HG2 ILE 12 -4.185 6.276 -4.395 82 HG23 ILE 12 3HG2 ILE 12 -5.191 7.432 -5.266 83 HD11 ILE 12 3HD1 ILE 12 -5.484 6.776 0.223 84 HD12 ILE 12 1HD1 ILE 12 -6.557 7.881 -0.637 85 HD13 ILE 12 2HD1 ILE 12 -4.847 8.272 -0.460 86 H THR 13 H THR 13 -5.442 10.121 -4.610 87 HA THR 13 HA THR 13 -4.278 9.745 -7.085 88 HB THR 13 HB THR 13 -5.554 12.275 -6.038 89 HG1 THR 13 1HG THR 13 -7.019 10.628 -5.791 90 HG21 THR 13 3HG2 THR 13 -4.375 12.599 -8.166 91 HG22 THR 13 1HG2 THR 13 -6.125 12.712 -8.368 92 HG23 THR 13 2HG2 THR 13 -5.272 11.249 -8.862 93 H ALA 14 H ALA 14 -3.359 11.976 -4.502 94 HA ALA 14 HA ALA 14 -1.425 13.424 -5.988 95 HB1 ALA 14 1HB ALA 14 -2.425 14.278 -3.921 96 HB2 ALA 14 2HB ALA 14 -0.664 14.262 -3.838 97 HB3 ALA 14 3HB ALA 14 -1.597 13.019 -3.006 98 H ALA 15 H ALA 15 -1.280 10.461 -4.081 99 HA ALA 15 HA ALA 15 1.553 10.169 -4.254 100 HB1 ALA 15 1HB ALA 15 1.184 7.867 -3.569 101 HB2 ALA 15 2HB ALA 15 -0.547 8.036 -3.877 102 HB3 ALA 15 3HB ALA 15 0.214 8.964 -2.584 103 H LEU 16 H LEU 16 -1.184 8.958 -6.139 104 HA LEU 16 HA LEU 16 0.223 7.530 -8.089 105 HB2 LEU 16 2HB LEU 16 -2.410 8.934 -8.028 106 HB3 LEU 16 1HB LEU 16 -1.792 8.386 -9.571 107 HG LEU 16 HG LEU 16 -3.357 6.785 -8.641 108 HD11 LEU 16 1HD1 LEU 16 -1.493 5.956 -10.002 109 HD12 LEU 16 2HD1 LEU 16 -1.998 4.780 -8.790 110 HD13 LEU 16 3HD1 LEU 16 -0.533 5.729 -8.540 111 HD21 LEU 16 3HD2 LEU 16 -1.451 6.580 -6.325 112 HD22 LEU 16 1HD2 LEU 16 -2.856 5.549 -6.602 113 HD23 LEU 16 2HD2 LEU 16 -3.074 7.273 -6.290 114 H ALA 17 H ALA 17 -0.449 10.949 -7.759 115 HA ALA 17 HA ALA 17 0.516 11.759 -10.291 116 HB1 ALA 17 1HB ALA 17 0.404 13.340 -7.725 117 HB2 ALA 17 2HB ALA 17 -0.929 13.154 -8.864 118 HB3 ALA 17 3HB ALA 17 0.542 13.996 -9.355 119 H ALA 18 H ALA 18 2.016 11.123 -7.208 120 HA ALA 18 HA ALA 18 4.555 12.282 -7.835 121 HB1 ALA 18 1HB ALA 18 3.822 10.289 -5.693 122 HB2 ALA 18 2HB ALA 18 3.767 12.044 -5.527 123 HB3 ALA 18 3HB ALA 18 5.311 11.229 -5.775 124 H CYS 19 H CYS 19 3.009 9.310 -8.538 125 HA CYS 19 HA CYS 19 5.560 8.261 -9.575 126 HB2 CYS 19 2HB CYS 19 4.626 5.986 -9.278 127 HB3 CYS 19 1HB CYS 19 4.779 6.851 -7.755 128 HG CYS 19 HG CYS 19 1.900 6.218 -9.481 129 H LYS 20 H LYS 20 3.658 10.045 -10.863 130 HA LYS 20 HA LYS 20 2.163 8.514 -12.770 131 HB2 LYS 20 2HB LYS 20 1.640 10.880 -11.929 132 HB3 LYS 20 1HB LYS 20 2.911 11.424 -13.014 133 HG2 LYS 20 2HG LYS 20 1.664 10.283 -14.871 134 HG3 LYS 20 1HG LYS 20 0.339 10.060 -13.733 135 HD2 LYS 20 2HD LYS 20 1.502 12.675 -14.685 136 HD3 LYS 20 1HD LYS 20 -0.090 12.022 -15.062 137 HE2 LYS 20 2HE LYS 20 -0.737 13.393 -13.390 138 HE3 LYS 20 1HE LYS 20 -0.225 12.045 -12.376 139 HZ1 LYS 20 3HZ LYS 20 1.941 13.121 -12.129 140 HZ2 LYS 20 1HZ LYS 20 0.697 14.130 -11.586 141 HZ3 LYS 20 2HZ LYS 20 1.424 14.413 -13.084 142 H ALA 21 H ALA 21 5.299 10.008 -12.590 143 HA ALA 21 HA ALA 21 5.858 9.637 -15.404 144 HB1 ALA 21 1HB ALA 21 6.743 11.592 -14.219 145 HB2 ALA 21 2HB ALA 21 8.034 10.597 -14.891 146 HB3 ALA 21 3HB ALA 21 7.675 10.527 -13.167 147 H GLU 22 H GLU 22 6.694 7.878 -16.258 148 HA GLU 22 HA GLU 22 7.081 5.491 -14.887 149 HB2 GLU 22 2HB GLU 22 8.209 4.728 -16.990 150 HB3 GLU 22 1HB GLU 22 6.635 5.472 -17.242 151 HG2 GLU 22 2HG GLU 22 7.740 7.568 -17.873 152 HG3 GLU 22 1HG GLU 22 9.309 6.794 -17.655 153 H GLY 23 H GLY 23 8.722 4.612 -13.797 154 HA2 GLY 23 2HA GLY 23 10.931 4.234 -13.140 155 HA3 GLY 23 1HA GLY 23 11.455 5.527 -14.208 156 H SER 24 H SER 24 8.923 6.661 -12.419 157 HA SER 24 HA SER 24 10.687 7.667 -10.287 158 HB2 SER 24 2HB SER 24 10.282 9.427 -11.964 159 HB3 SER 24 1HB SER 24 8.543 9.210 -11.778 160 HG SER 24 HG SER 24 9.306 9.618 -9.374 161 H PHE 25 H PHE 25 9.683 5.677 -9.302 162 HA PHE 25 HA PHE 25 7.083 6.360 -8.109 163 HB2 PHE 25 2HB PHE 25 6.680 3.862 -7.982 164 HB3 PHE 25 1HB PHE 25 6.613 4.562 -9.599 165 HD1 PHE 25 1HD PHE 25 8.459 4.165 -11.191 166 HD2 PHE 25 2HD PHE 25 8.330 2.259 -7.388 167 HE1 PHE 25 1HE PHE 25 10.120 2.525 -11.962 168 HE2 PHE 25 2HE PHE 25 9.994 0.617 -8.154 169 HZ PHE 25 HZ PHE 25 10.891 0.748 -10.441 170 H ASP 26 H ASP 26 6.837 6.005 -5.945 171 HA ASP 26 HA ASP 26 8.959 4.545 -4.549 172 HB2 ASP 26 2HB ASP 26 9.299 7.062 -4.361 173 HB3 ASP 26 1HB ASP 26 7.797 7.103 -3.444 174 H HIS 27 H HIS 27 7.770 2.812 -4.093 175 HA HIS 27 HA HIS 27 5.040 2.727 -3.611 176 HB2 HIS 27 2HB HIS 27 5.311 0.455 -3.222 177 HB3 HIS 27 1HB HIS 27 6.772 0.840 -4.109 178 HD1 HIS 27 1HD HIS 27 5.653 -0.786 -1.105 179 HD2 HIS 27 2HD HIS 27 9.094 1.200 -2.314 180 HE1 HIS 27 1HE HIS 27 7.437 -1.479 0.522 181 HE2 HIS 27 2HE HIS 27 9.544 -0.384 -0.318 182 H LYS 28 H LYS 28 7.628 3.403 -1.443 183 HA LYS 28 HA LYS 28 6.116 2.831 0.932 184 HB2 LYS 28 2HB LYS 28 8.553 2.500 0.742 185 HB3 LYS 28 1HB LYS 28 8.736 4.241 0.554 186 HG2 LYS 28 2HG LYS 28 8.240 4.684 2.760 187 HG3 LYS 28 1HG LYS 28 7.344 3.181 2.967 188 HD2 LYS 28 2HD LYS 28 9.448 1.924 2.860 189 HD3 LYS 28 1HD LYS 28 10.334 3.438 2.670 190 HE2 LYS 28 2HE LYS 28 9.764 4.157 4.847 191 HE3 LYS 28 1HE LYS 28 8.540 2.900 5.019 192 HZ1 LYS 28 3HZ LYS 28 10.176 1.251 5.229 193 HZ2 LYS 28 1HZ LYS 28 10.698 2.523 6.216 194 HZ3 LYS 28 2HZ LYS 28 11.416 2.278 4.704 195 H ALA 29 H ALA 29 7.320 5.703 -0.758 196 HA ALA 29 HA ALA 29 6.218 7.671 0.874 197 HB1 ALA 29 1HB ALA 29 7.754 8.130 -1.000 198 HB2 ALA 29 2HB ALA 29 6.307 9.138 -1.053 199 HB3 ALA 29 3HB ALA 29 6.455 7.752 -2.131 200 H PHE 30 H PHE 30 4.783 5.718 -1.673 201 HA PHE 30 HA PHE 30 2.288 6.910 -1.876 202 HB2 PHE 30 2HB PHE 30 2.986 5.113 -3.365 203 HB3 PHE 30 1HB PHE 30 3.015 3.974 -2.026 204 HD1 PHE 30 1HD PHE 30 0.867 5.888 -4.301 205 HD2 PHE 30 2HD PHE 30 0.989 2.999 -1.182 206 HE1 PHE 30 1HE PHE 30 -1.474 5.289 -4.765 207 HE2 PHE 30 2HE PHE 30 -1.351 2.397 -1.640 208 HZ PHE 30 HZ PHE 30 -2.587 3.545 -3.435 209 H PHE 31 H PHE 31 3.251 4.246 0.340 210 HA PHE 31 HA PHE 31 0.705 4.164 1.590 211 HB2 PHE 31 2HB PHE 31 3.264 3.197 2.857 212 HB3 PHE 31 1HB PHE 31 1.618 2.675 3.201 213 HD1 PHE 31 1HD PHE 31 0.411 2.047 0.742 214 HD2 PHE 31 2HD PHE 31 4.474 1.514 1.886 215 HE1 PHE 31 1HE PHE 31 0.625 0.217 -0.888 216 HE2 PHE 31 2HE PHE 31 4.697 -0.312 0.256 217 HZ PHE 31 HZ PHE 31 2.771 -0.962 -1.136 218 H THR 32 H THR 32 3.731 5.800 2.514 219 HA THR 32 HA THR 32 2.650 6.631 5.024 220 HB THR 32 HB THR 32 5.049 6.377 4.813 221 HG1 THR 32 1HG THR 32 3.902 8.809 5.537 222 HG21 THR 32 3HG2 THR 32 6.363 8.091 3.541 223 HG22 THR 32 1HG2 THR 32 4.854 8.604 2.785 224 HG23 THR 32 2HG2 THR 32 5.460 6.963 2.533 225 H LYS 33 H LYS 33 2.548 7.917 1.822 226 HA LYS 33 HA LYS 33 1.905 10.606 2.552 227 HB2 LYS 33 2HB LYS 33 2.833 9.714 0.326 228 HB3 LYS 33 1HB LYS 33 1.178 9.259 -0.040 229 HG2 LYS 33 2HG LYS 33 0.466 11.540 0.022 230 HG3 LYS 33 1HG LYS 33 2.046 12.064 0.616 231 HD2 LYS 33 2HD LYS 33 3.048 11.161 -1.490 232 HD3 LYS 33 1HD LYS 33 1.412 10.873 -2.084 233 HE2 LYS 33 2HE LYS 33 0.914 13.236 -1.957 234 HE3 LYS 33 1HE LYS 33 2.485 13.556 -1.225 235 HZ1 LYS 33 3HZ LYS 33 2.002 12.557 -3.984 236 HZ2 LYS 33 1HZ LYS 33 3.529 12.760 -3.282 237 HZ3 LYS 33 2HZ LYS 33 2.537 14.101 -3.554 238 H VAL 34 H VAL 34 0.018 7.776 1.519 239 HA VAL 34 HA VAL 34 -2.469 9.159 1.850 240 HB VAL 34 HB VAL 34 -3.473 7.173 1.049 241 HG11 VAL 34 1HG1 VAL 34 -2.275 6.782 -1.043 242 HG12 VAL 34 2HG1 VAL 34 -0.856 7.573 -0.358 243 HG13 VAL 34 3HG1 VAL 34 -2.335 8.496 -0.628 244 HG21 VAL 34 3HG2 VAL 34 -2.262 5.069 0.712 245 HG22 VAL 34 1HG2 VAL 34 -2.323 5.530 2.414 246 HG23 VAL 34 2HG2 VAL 34 -0.846 5.782 1.484 247 H GLY 35 H GLY 35 -0.355 7.575 3.914 248 HA2 GLY 35 2HA GLY 35 -0.560 7.199 6.188 249 HA3 GLY 35 1HA GLY 35 -2.255 7.639 6.073 250 H LEU 36 H LEU 36 -0.653 5.141 4.169 251 HA LEU 36 HA LEU 36 -2.689 3.270 4.989 252 HB2 LEU 36 2HB LEU 36 -1.292 3.623 2.678 253 HB3 LEU 36 1HB LEU 36 -0.460 2.250 3.382 254 HG LEU 36 HG LEU 36 -3.415 2.411 2.847 255 HD11 LEU 36 1HD1 LEU 36 -2.984 0.744 1.107 256 HD12 LEU 36 2HD1 LEU 36 -1.255 0.866 1.427 257 HD13 LEU 36 3HD1 LEU 36 -2.132 2.256 0.783 258 HD21 LEU 36 3HD2 LEU 36 -3.348 -0.029 3.318 259 HD22 LEU 36 1HD2 LEU 36 -3.055 1.002 4.718 260 HD23 LEU 36 2HD2 LEU 36 -1.708 0.195 3.922 261 H ALA 37 H ALA 37 0.706 3.798 5.616 262 HA ALA 37 HA ALA 37 1.255 1.266 6.781 263 HB1 ALA 37 1HB ALA 37 2.617 3.908 7.312 264 HB2 ALA 37 2HB ALA 37 2.993 2.824 5.974 265 HB3 ALA 37 3HB ALA 37 3.267 2.302 7.637 266 H ALA 38 H ALA 38 -0.489 3.998 7.834 267 HA ALA 38 HA ALA 38 -0.391 3.157 10.636 268 HB1 ALA 38 1HB ALA 38 -0.042 5.533 10.182 269 HB2 ALA 38 2HB ALA 38 -1.507 5.268 11.128 270 HB3 ALA 38 3HB ALA 38 -1.622 5.618 9.405 271 H LYS 39 H LYS 39 -2.137 2.317 7.980 272 HA LYS 39 HA LYS 39 -4.798 2.479 8.978 273 HB2 LYS 39 2HB LYS 39 -3.529 0.841 6.795 274 HB3 LYS 39 1HB LYS 39 -5.241 0.720 7.186 275 HG2 LYS 39 2HG LYS 39 -3.892 3.312 6.476 276 HG3 LYS 39 1HG LYS 39 -4.662 2.259 5.287 277 HD2 LYS 39 2HD LYS 39 -6.794 2.519 6.337 278 HD3 LYS 39 1HD LYS 39 -6.075 3.359 7.712 279 HE2 LYS 39 2HE LYS 39 -5.926 4.400 4.895 280 HE3 LYS 39 1HE LYS 39 -7.241 4.806 5.995 281 HZ1 LYS 39 3HZ LYS 39 -5.705 5.823 7.487 282 HZ2 LYS 39 1HZ LYS 39 -5.430 6.460 5.947 283 HZ3 LYS 39 2HZ LYS 39 -4.371 5.303 6.584 284 H SER 40 H SER 40 -6.082 0.948 9.921 285 HA SER 40 HA SER 40 -4.721 -0.850 11.699 286 HB2 SER 40 2HB SER 40 -7.701 -0.495 11.317 287 HB3 SER 40 1HB SER 40 -6.868 -1.099 12.748 288 HG SER 40 HG SER 40 -6.618 0.883 13.386 289 HA PRO 41 HA PRO 41 -4.949 -4.824 9.804 290 HB2 PRO 41 2HB PRO 41 -7.050 -5.525 11.821 291 HB3 PRO 41 1HB PRO 41 -5.636 -6.454 11.305 292 HG2 PRO 41 2HG PRO 41 -5.580 -5.110 13.590 293 HG3 PRO 41 1HG PRO 41 -4.162 -5.134 12.527 294 HD2 PRO 41 2HD PRO 41 -6.107 -2.945 13.034 295 HD3 PRO 41 1HD PRO 41 -4.385 -2.852 12.620 296 H ALA 42 H ALA 42 -8.222 -3.746 10.780 297 HA ALA 42 HA ALA 42 -9.617 -5.220 8.833 298 HB1 ALA 42 1HB ALA 42 -11.505 -3.755 9.315 299 HB2 ALA 42 2HB ALA 42 -10.433 -2.639 10.159 300 HB3 ALA 42 3HB ALA 42 -10.699 -4.260 10.800 301 H ASP 43 H ASP 43 -8.422 -1.882 8.797 302 HA ASP 43 HA ASP 43 -9.422 -1.202 6.242 303 HB2 ASP 43 2HB ASP 43 -6.971 -0.113 7.646 304 HB3 ASP 43 1HB ASP 43 -7.809 0.644 6.297 305 H ILE 44 H ILE 44 -6.318 -2.440 7.360 306 HA ILE 44 HA ILE 44 -5.049 -2.516 4.858 307 HB ILE 44 HB ILE 44 -4.530 -3.527 7.557 308 HG12 ILE 44 2HG1 ILE 44 -3.496 -1.511 6.628 309 HG13 ILE 44 1HG1 ILE 44 -2.277 -2.704 7.071 310 HG21 ILE 44 1HG2 ILE 44 -4.383 -5.666 6.410 311 HG22 ILE 44 2HG2 ILE 44 -2.789 -5.118 6.928 312 HG23 ILE 44 3HG2 ILE 44 -3.264 -4.971 5.234 313 HD11 ILE 44 3HD1 ILE 44 -1.682 -1.700 4.985 314 HD12 ILE 44 1HD1 ILE 44 -3.260 -2.080 4.298 315 HD13 ILE 44 2HD1 ILE 44 -2.139 -3.379 4.702 316 H LYS 45 H LYS 45 -7.222 -4.763 6.443 317 HA LYS 45 HA LYS 45 -6.698 -7.014 4.833 318 HB2 LYS 45 2HB LYS 45 -7.897 -7.093 6.996 319 HB3 LYS 45 1HB LYS 45 -9.267 -6.289 6.248 320 HG2 LYS 45 2HG LYS 45 -9.577 -8.720 6.472 321 HG3 LYS 45 1HG LYS 45 -9.649 -8.169 4.798 322 HD2 LYS 45 2HD LYS 45 -8.359 -10.246 5.026 323 HD3 LYS 45 1HD LYS 45 -7.364 -8.922 4.426 324 HE2 LYS 45 2HE LYS 45 -6.145 -10.199 6.086 325 HE3 LYS 45 1HE LYS 45 -6.481 -8.580 6.697 326 HZ1 LYS 45 3HZ LYS 45 -8.312 -9.477 7.981 327 HZ2 LYS 45 1HZ LYS 45 -6.877 -10.279 8.369 328 HZ3 LYS 45 2HZ LYS 45 -8.020 -11.025 7.374 329 H LYS 46 H LYS 46 -9.131 -4.418 4.509 330 HA LYS 46 HA LYS 46 -10.236 -5.529 2.136 331 HB2 LYS 46 2HB LYS 46 -11.361 -3.379 1.813 332 HB3 LYS 46 1HB LYS 46 -11.539 -3.948 3.460 333 HG2 LYS 46 2HG LYS 46 -11.122 -1.736 3.813 334 HG3 LYS 46 1HG LYS 46 -9.488 -2.385 3.904 335 HD2 LYS 46 2HD LYS 46 -9.148 -0.596 2.510 336 HD3 LYS 46 1HD LYS 46 -9.479 -1.859 1.327 337 HE2 LYS 46 2HE LYS 46 -11.588 0.008 2.402 338 HE3 LYS 46 1HE LYS 46 -10.655 0.338 0.947 339 HZ1 LYS 46 3HZ LYS 46 -12.793 -0.637 0.419 340 HZ2 LYS 46 1HZ LYS 46 -12.443 -1.996 1.361 341 HZ3 LYS 46 2HZ LYS 46 -11.548 -1.686 -0.038 342 H VAL 47 H VAL 47 -7.503 -3.504 2.822 343 HA VAL 47 HA VAL 47 -6.965 -2.652 0.185 344 HB VAL 47 HB VAL 47 -5.052 -3.100 2.482 345 HG11 VAL 47 1HG1 VAL 47 -3.528 -1.632 1.257 346 HG12 VAL 47 2HG1 VAL 47 -4.655 -1.595 -0.098 347 HG13 VAL 47 3HG1 VAL 47 -3.872 -3.108 0.355 348 HG21 VAL 47 3HG2 VAL 47 -6.380 -0.589 1.465 349 HG22 VAL 47 1HG2 VAL 47 -5.200 -0.676 2.772 350 HG23 VAL 47 2HG2 VAL 47 -6.779 -1.441 2.957 351 H PHE 48 H PHE 48 -5.993 -5.501 2.033 352 HA PHE 48 HA PHE 48 -4.386 -6.795 0.177 353 HB2 PHE 48 2HB PHE 48 -6.344 -7.906 2.187 354 HB3 PHE 48 1HB PHE 48 -5.285 -8.928 1.227 355 HD1 PHE 48 1HD PHE 48 -3.458 -6.047 1.820 356 HD2 PHE 48 2HD PHE 48 -4.927 -9.502 3.825 357 HE1 PHE 48 1HE PHE 48 -1.687 -5.817 3.509 358 HE2 PHE 48 2HE PHE 48 -3.160 -9.277 5.519 359 HZ PHE 48 HZ PHE 48 -1.537 -7.434 5.362 360 H GLU 49 H GLU 49 -7.856 -6.505 0.361 361 HA GLU 49 HA GLU 49 -8.344 -8.317 -1.816 362 HB2 GLU 49 2HB GLU 49 -10.084 -8.357 -0.322 363 HB3 GLU 49 1HB GLU 49 -9.917 -6.660 0.092 364 HG2 GLU 49 2HG GLU 49 -10.940 -6.076 -2.048 365 HG3 GLU 49 1HG GLU 49 -11.199 -7.790 -2.378 366 H ILE 50 H ILE 50 -7.488 -5.000 -1.525 367 HA ILE 50 HA ILE 50 -8.773 -4.096 -3.914 368 HB ILE 50 HB ILE 50 -6.379 -2.845 -2.560 369 HG12 ILE 50 2HG1 ILE 50 -9.314 -2.187 -2.253 370 HG13 ILE 50 1HG1 ILE 50 -8.367 -3.084 -1.070 371 HG21 ILE 50 1HG2 ILE 50 -7.079 -0.814 -3.712 372 HG22 ILE 50 2HG2 ILE 50 -8.416 -1.685 -4.462 373 HG23 ILE 50 3HG2 ILE 50 -6.754 -2.100 -4.872 374 HD11 ILE 50 3HD1 ILE 50 -8.020 -0.221 -1.910 375 HD12 ILE 50 1HD1 ILE 50 -6.859 -1.098 -0.911 376 HD13 ILE 50 2HD1 ILE 50 -8.505 -0.836 -0.330 377 H ILE 51 H ILE 51 -5.469 -5.327 -3.222 378 HA ILE 51 HA ILE 51 -4.563 -4.958 -5.911 379 HB ILE 51 HB ILE 51 -2.932 -6.957 -5.336 380 HG12 ILE 51 2HG1 ILE 51 -4.411 -7.298 -3.146 381 HG13 ILE 51 1HG1 ILE 51 -2.673 -7.580 -3.137 382 HG21 ILE 51 1HG2 ILE 51 -2.748 -4.243 -4.047 383 HG22 ILE 51 2HG2 ILE 51 -2.204 -4.705 -5.659 384 HG23 ILE 51 3HG2 ILE 51 -1.408 -5.376 -4.234 385 HD11 ILE 51 3HD1 ILE 51 -3.210 -6.356 -1.183 386 HD12 ILE 51 1HD1 ILE 51 -4.147 -5.169 -2.091 387 HD13 ILE 51 2HD1 ILE 51 -2.395 -5.245 -2.277 388 H ASP 52 H ASP 52 -6.627 -7.144 -4.386 389 HA ASP 52 HA ASP 52 -6.686 -8.924 -6.704 390 HB2 ASP 52 2HB ASP 52 -6.709 -9.773 -4.261 391 HB3 ASP 52 1HB ASP 52 -8.341 -9.152 -4.198 392 H GLN 53 H GLN 53 -7.485 -6.745 -7.723 393 HA GLN 53 HA GLN 53 -9.893 -5.540 -7.063 394 HB2 GLN 53 2HB GLN 53 -9.941 -4.661 -9.345 395 HB3 GLN 53 1HB GLN 53 -8.321 -4.567 -8.668 396 HG2 GLN 53 2HG GLN 53 -7.546 -6.338 -9.994 397 HG3 GLN 53 1HG GLN 53 -9.178 -6.848 -10.416 398 HE21 GLN 53 1HE2 GLN 53 -10.072 -4.111 -10.924 399 HE22 GLN 53 2HE2 GLN 53 -9.378 -3.666 -12.442 400 H ASP 54 H ASP 54 -9.280 -8.366 -8.984 401 HA ASP 54 HA ASP 54 -11.962 -8.637 -9.970 402 HB2 ASP 54 2HB ASP 54 -10.293 -9.548 -11.351 403 HB3 ASP 54 1HB ASP 54 -9.513 -10.379 -10.012 404 H LYS 55 H LYS 55 -10.402 -9.469 -7.069 405 HA LYS 55 HA LYS 55 -11.019 -10.496 -5.175 406 HB2 LYS 55 2HB LYS 55 -13.090 -9.137 -5.502 407 HB3 LYS 55 1HB LYS 55 -13.830 -10.535 -6.269 408 HG2 LYS 55 2HG LYS 55 -14.464 -10.279 -3.899 409 HG3 LYS 55 1HG LYS 55 -13.656 -11.811 -4.236 410 HD2 LYS 55 2HD LYS 55 -11.525 -10.802 -3.424 411 HD3 LYS 55 1HD LYS 55 -12.431 -9.354 -2.982 412 HE2 LYS 55 2HE LYS 55 -13.051 -12.103 -1.935 413 HE3 LYS 55 1HE LYS 55 -12.003 -10.956 -1.107 414 HZ1 LYS 55 3HZ LYS 55 -13.818 -9.426 -0.917 415 HZ2 LYS 55 1HZ LYS 55 -14.297 -10.925 -0.287 416 HZ3 LYS 55 2HZ LYS 55 -14.839 -10.442 -1.815 417 H SER 56 H SER 56 -9.727 -12.176 -6.238 418 HA SER 56 HA SER 56 -11.278 -14.624 -6.777 419 HB2 SER 56 2HB SER 56 -8.700 -14.893 -7.859 420 HB3 SER 56 1HB SER 56 -10.203 -14.633 -8.748 421 HG SER 56 HG SER 56 -9.739 -12.581 -9.019 422 H ASP 57 H ASP 57 -9.490 -13.154 -4.501 423 HA ASP 57 HA ASP 57 -8.456 -13.828 -2.598 424 HB2 ASP 57 2HB ASP 57 -9.099 -16.583 -3.634 425 HB3 ASP 57 1HB ASP 57 -8.151 -16.336 -2.172 426 H PHE 58 H PHE 58 -7.383 -14.164 -5.623 427 HA PHE 58 HA PHE 58 -4.601 -14.310 -4.745 428 HB2 PHE 58 2HB PHE 58 -5.709 -15.766 -7.163 429 HB3 PHE 58 1HB PHE 58 -4.006 -15.640 -6.745 430 HD1 PHE 58 1HD PHE 58 -3.101 -16.868 -4.835 431 HD2 PHE 58 2HD PHE 58 -7.157 -17.306 -6.045 432 HE1 PHE 58 1HE PHE 58 -3.272 -18.934 -3.508 433 HE2 PHE 58 2HE PHE 58 -7.336 -19.367 -4.719 434 HZ PHE 58 HZ PHE 58 -5.393 -20.184 -3.449 435 H VAL 59 H VAL 59 -3.444 -12.650 -5.575 436 HA VAL 59 HA VAL 59 -4.838 -10.984 -7.537 437 HB VAL 59 HB VAL 59 -3.986 -9.138 -6.592 438 HG11 VAL 59 1HG1 VAL 59 -3.811 -9.250 -4.215 439 HG12 VAL 59 2HG1 VAL 59 -3.428 -10.968 -4.292 440 HG13 VAL 59 3HG1 VAL 59 -5.027 -10.403 -4.762 441 HG21 VAL 59 3HG2 VAL 59 -1.512 -10.379 -5.545 442 HG22 VAL 59 1HG2 VAL 59 -1.852 -8.691 -5.923 443 HG23 VAL 59 2HG2 VAL 59 -1.647 -9.858 -7.229 444 H GLU 60 H GLU 60 -4.227 -11.003 -9.537 445 HA GLU 60 HA GLU 60 -1.604 -12.047 -10.293 446 HB2 GLU 60 2HB GLU 60 -3.977 -11.278 -11.999 447 HB3 GLU 60 1HB GLU 60 -2.515 -12.074 -12.571 448 HG2 GLU 60 2HG GLU 60 -3.017 -14.060 -11.441 449 HG3 GLU 60 1HG GLU 60 -4.231 -13.276 -10.431 450 H GLU 61 H GLU 61 -0.760 -10.814 -12.439 451 HA GLU 61 HA GLU 61 0.018 -8.226 -11.535 452 HB2 GLU 61 2HB GLU 61 1.545 -9.511 -12.902 453 HB3 GLU 61 1HB GLU 61 0.379 -9.556 -14.221 454 HG2 GLU 61 2HG GLU 61 0.570 -7.173 -14.530 455 HG3 GLU 61 1HG GLU 61 1.635 -7.045 -13.132 456 H ASP 62 H ASP 62 -2.246 -9.379 -13.993 457 HA ASP 62 HA ASP 62 -2.957 -6.879 -15.054 458 HB2 ASP 62 2HB ASP 62 -4.484 -9.470 -14.847 459 HB3 ASP 62 1HB ASP 62 -5.166 -8.041 -15.616 460 H GLU 63 H GLU 63 -3.936 -8.550 -12.162 461 HA GLU 63 HA GLU 63 -6.082 -6.780 -11.523 462 HB2 GLU 63 2HB GLU 63 -4.527 -8.795 -9.920 463 HB3 GLU 63 1HB GLU 63 -5.765 -7.778 -9.190 464 HG2 GLU 63 2HG GLU 63 -7.406 -8.665 -10.783 465 HG3 GLU 63 1HG GLU 63 -6.162 -9.721 -11.453 466 H LEU 64 H LEU 64 -2.648 -6.916 -10.797 467 HA LEU 64 HA LEU 64 -2.637 -4.782 -8.937 468 HB2 LEU 64 2HB LEU 64 -0.692 -6.454 -10.248 469 HB3 LEU 64 1HB LEU 64 -0.157 -4.784 -10.241 470 HG LEU 64 HG LEU 64 0.699 -5.991 -8.307 471 HD11 LEU 64 1HD1 LEU 64 -0.029 -4.461 -6.560 472 HD12 LEU 64 2HD1 LEU 64 -1.394 -3.962 -7.559 473 HD13 LEU 64 3HD1 LEU 64 0.253 -3.611 -8.078 474 HD21 LEU 64 3HD2 LEU 64 -0.816 -6.797 -6.569 475 HD22 LEU 64 1HD2 LEU 64 -1.061 -7.650 -8.092 476 HD23 LEU 64 2HD2 LEU 64 -2.196 -6.397 -7.592 477 H LYS 65 H LYS 65 -2.667 -4.960 -12.384 478 HA LYS 65 HA LYS 65 -1.686 -2.406 -13.015 479 HB2 LYS 65 2HB LYS 65 -2.950 -4.597 -14.384 480 HB3 LYS 65 1HB LYS 65 -3.700 -3.093 -14.890 481 HG2 LYS 65 2HG LYS 65 -1.866 -3.762 -16.355 482 HG3 LYS 65 1HG LYS 65 -1.564 -2.210 -15.575 483 HD2 LYS 65 2HD LYS 65 -0.020 -3.165 -14.061 484 HD3 LYS 65 1HD LYS 65 -0.492 -4.810 -14.503 485 HE2 LYS 65 2HE LYS 65 0.424 -4.505 -16.721 486 HE3 LYS 65 1HE LYS 65 0.818 -2.826 -16.358 487 HZ1 LYS 65 3HZ LYS 65 2.752 -4.256 -16.191 488 HZ2 LYS 65 1HZ LYS 65 1.986 -5.207 -15.023 489 HZ3 LYS 65 2HZ LYS 65 2.375 -3.594 -14.680 490 H LEU 66 H LEU 66 -5.040 -3.547 -12.635 491 HA LEU 66 HA LEU 66 -5.885 -0.748 -12.518 492 HB2 LEU 66 2HB LEU 66 -7.542 -3.235 -12.900 493 HB3 LEU 66 1HB LEU 66 -8.178 -1.602 -12.833 494 HG LEU 66 HG LEU 66 -8.085 -1.900 -15.099 495 HD11 LEU 66 1HD1 LEU 66 -6.059 -0.802 -16.008 496 HD12 LEU 66 2HD1 LEU 66 -5.321 -0.911 -14.405 497 HD13 LEU 66 3HD1 LEU 66 -6.778 0.058 -14.646 498 HD21 LEU 66 3HD2 LEU 66 -7.222 -4.132 -15.130 499 HD22 LEU 66 1HD2 LEU 66 -5.612 -3.567 -14.694 500 HD23 LEU 66 2HD2 LEU 66 -6.292 -3.158 -16.267 501 H PHE 67 H PHE 67 -4.861 -2.947 -10.430 502 HA PHE 67 HA PHE 67 -6.502 -2.957 -8.228 503 HB2 PHE 67 2HB PHE 67 -4.562 -4.005 -7.669 504 HB3 PHE 67 1HB PHE 67 -3.594 -2.991 -8.724 505 HD1 PHE 67 1HD PHE 67 -5.237 -3.050 -5.393 506 HD2 PHE 67 2HD PHE 67 -2.205 -1.354 -7.841 507 HE1 PHE 67 1HE PHE 67 -4.300 -1.904 -3.429 508 HE2 PHE 67 2HE PHE 67 -1.261 -0.204 -5.882 509 HZ PHE 67 HZ PHE 67 -2.308 -0.479 -3.672 510 H LEU 68 H LEU 68 -4.585 -0.351 -9.581 511 HA LEU 68 HA LEU 68 -4.902 1.570 -7.559 512 HB2 LEU 68 2HB LEU 68 -4.616 2.005 -10.535 513 HB3 LEU 68 1HB LEU 68 -4.390 3.229 -9.308 514 HG LEU 68 HG LEU 68 -2.240 2.608 -10.005 515 HD11 LEU 68 1HD1 LEU 68 -2.794 1.098 -7.463 516 HD12 LEU 68 2HD1 LEU 68 -2.454 2.822 -7.596 517 HD13 LEU 68 3HD1 LEU 68 -1.215 1.644 -8.027 518 HD21 LEU 68 3HD2 LEU 68 -2.889 -0.293 -9.548 519 HD22 LEU 68 1HD2 LEU 68 -1.425 0.384 -10.252 520 HD23 LEU 68 2HD2 LEU 68 -2.958 0.492 -11.127 521 H GLN 69 H GLN 69 -6.787 0.859 -10.448 522 HA GLN 69 HA GLN 69 -8.674 2.957 -10.036 523 HB2 GLN 69 2HB GLN 69 -8.775 0.489 -11.778 524 HB3 GLN 69 1HB GLN 69 -9.973 1.775 -11.810 525 HG2 GLN 69 2HG GLN 69 -8.234 3.367 -12.469 526 HG3 GLN 69 1HG GLN 69 -7.052 2.058 -12.467 527 HE21 GLN 69 1HE2 GLN 69 -6.615 2.434 -14.653 528 HE22 GLN 69 2HE2 GLN 69 -7.695 1.910 -15.896 529 H ASN 70 H ASN 70 -8.169 0.017 -8.534 530 HA ASN 70 HA ASN 70 -10.972 -0.286 -7.729 531 HB2 ASN 70 2HB ASN 70 -9.574 -2.299 -8.315 532 HB3 ASN 70 1HB ASN 70 -8.579 -1.952 -6.907 533 HD21 ASN 70 1HD2 ASN 70 -9.063 -3.882 -5.914 534 HD22 ASN 70 2HD2 ASN 70 -10.622 -4.226 -5.243 535 H PHE 71 H PHE 71 -7.942 0.940 -6.698 536 HA PHE 71 HA PHE 71 -8.625 1.222 -3.912 537 HB2 PHE 71 2HB PHE 71 -6.265 1.065 -5.107 538 HB3 PHE 71 1HB PHE 71 -6.462 2.805 -5.259 539 HD1 PHE 71 2HD PHE 71 -7.084 4.045 -3.011 540 HD2 PHE 71 1HD PHE 71 -5.239 0.218 -3.252 541 HE1 PHE 71 2HE PHE 71 -6.209 4.322 -0.726 542 HE2 PHE 71 1HE PHE 71 -4.364 0.489 -0.972 543 HZ PHE 71 HZ PHE 71 -4.849 2.544 0.295 544 H SER 72 H SER 72 -8.267 3.345 -6.727 545 HA SER 72 HA SER 72 -10.366 5.083 -5.732 546 HB2 SER 72 2HB SER 72 -7.595 6.142 -6.354 547 HB3 SER 72 1HB SER 72 -9.010 7.123 -5.970 548 HG SER 72 HG SER 72 -8.729 5.292 -4.062 549 H ALA 73 H ALA 73 -11.332 6.316 -7.395 550 HA ALA 73 HA ALA 73 -11.423 4.802 -9.791 551 HB1 ALA 73 1HB ALA 73 -12.807 7.403 -9.180 552 HB2 ALA 73 2HB ALA 73 -13.402 5.804 -8.737 553 HB3 ALA 73 3HB ALA 73 -13.241 6.245 -10.437 554 H GLY 74 H GLY 74 -9.669 7.663 -8.961 555 HA2 GLY 74 2HA GLY 74 -9.306 8.295 -11.819 556 HA3 GLY 74 1HA GLY 74 -9.004 9.407 -10.491 557 H ALA 75 H ALA 75 -7.855 6.438 -9.610 558 HA ALA 75 HA ALA 75 -5.169 7.332 -9.622 559 HB1 ALA 75 1HB ALA 75 -6.072 5.837 -7.909 560 HB2 ALA 75 2HB ALA 75 -4.639 5.156 -8.680 561 HB3 ALA 75 3HB ALA 75 -6.242 4.560 -9.114 562 H ARG 76 H ARG 76 -3.416 6.673 -10.813 563 HA ARG 76 HA ARG 76 -4.000 5.931 -13.531 564 HB2 ARG 76 2HB ARG 76 -1.238 6.328 -12.418 565 HB3 ARG 76 1HB ARG 76 -1.815 6.628 -14.048 566 HG2 ARG 76 2HG ARG 76 -2.504 8.251 -11.609 567 HG3 ARG 76 1HG ARG 76 -1.357 8.703 -12.869 568 HD2 ARG 76 2HD ARG 76 -3.140 8.773 -14.508 569 HD3 ARG 76 1HD ARG 76 -4.299 8.210 -13.305 570 HE ARG 76 HE ARG 76 -3.115 10.522 -12.305 571 HH11 ARG 76 1HH1 ARG 76 -5.205 9.590 -14.958 572 HH12 ARG 76 2HH1 ARG 76 -5.988 11.136 -15.050 573 HH21 ARG 76 1HH2 ARG 76 -4.144 12.556 -12.427 574 HH22 ARG 76 2HH2 ARG 76 -5.386 12.820 -13.607 575 H ALA 77 H ALA 77 -3.138 4.116 -14.616 576 HA ALA 77 HA ALA 77 -2.745 1.815 -12.896 577 HB1 ALA 77 1HB ALA 77 -4.233 1.618 -14.818 578 HB2 ALA 77 2HB ALA 77 -2.872 0.501 -14.951 579 HB3 ALA 77 3HB ALA 77 -2.891 1.990 -15.900 580 H LEU 78 H LEU 78 -0.867 0.951 -12.406 581 HA LEU 78 HA LEU 78 1.593 2.050 -13.400 582 HB2 LEU 78 2HB LEU 78 0.860 -0.087 -11.431 583 HB3 LEU 78 1HB LEU 78 2.505 0.016 -12.018 584 HG LEU 78 HG LEU 78 2.758 2.237 -11.085 585 HD11 LEU 78 1HD1 LEU 78 -0.092 1.980 -10.137 586 HD12 LEU 78 2HD1 LEU 78 0.470 3.054 -11.416 587 HD13 LEU 78 3HD1 LEU 78 1.020 3.295 -9.758 588 HD21 LEU 78 3HD2 LEU 78 3.229 0.353 -9.644 589 HD22 LEU 78 1HD2 LEU 78 1.539 0.280 -9.147 590 HD23 LEU 78 2HD2 LEU 78 2.531 1.672 -8.705 591 H SER 79 H SER 79 3.034 1.135 -14.815 592 HA SER 79 HA SER 79 2.547 -1.588 -15.744 593 HB2 SER 79 2HB SER 79 2.789 0.789 -17.607 594 HB3 SER 79 1HB SER 79 2.755 -0.901 -18.115 595 HG SER 79 HG SER 79 0.675 -0.224 -16.468 596 H ASP 80 H ASP 80 4.381 -2.339 -17.173 597 HA ASP 80 HA ASP 80 6.583 -2.805 -17.432 598 HB2 ASP 80 2HB ASP 80 6.908 0.168 -16.987 599 HB3 ASP 80 1HB ASP 80 8.167 -0.904 -17.585 600 H ALA 81 H ALA 81 8.375 -0.671 -15.828 601 HA ALA 81 HA ALA 81 9.227 -2.712 -14.075 602 HB1 ALA 81 1HB ALA 81 10.772 -1.124 -15.112 603 HB2 ALA 81 2HB ALA 81 10.927 -1.133 -13.355 604 HB3 ALA 81 3HB ALA 81 10.064 0.180 -14.157 605 H GLU 82 H GLU 82 7.199 0.136 -13.640 606 HA GLU 82 HA GLU 82 7.517 0.234 -10.815 607 HB2 GLU 82 2HB GLU 82 5.093 1.433 -11.198 608 HB3 GLU 82 1HB GLU 82 6.646 2.244 -11.261 609 HG2 GLU 82 2HG GLU 82 5.331 1.072 -13.691 610 HG3 GLU 82 1HG GLU 82 5.024 2.715 -13.134 611 H THR 83 H THR 83 5.478 -1.678 -12.876 612 HA THR 83 HA THR 83 3.814 -2.526 -10.679 613 HB THR 83 HB THR 83 4.168 -4.197 -13.142 614 HG1 THR 83 1HG THR 83 3.245 -1.583 -13.024 615 HG21 THR 83 3HG2 THR 83 1.784 -4.608 -12.800 616 HG22 THR 83 1HG2 THR 83 1.772 -3.468 -11.454 617 HG23 THR 83 2HG2 THR 83 2.697 -4.965 -11.335 618 H LYS 84 H LYS 84 6.592 -3.795 -12.466 619 HA LYS 84 HA LYS 84 6.699 -6.298 -11.182 620 HB2 LYS 84 2HB LYS 84 7.789 -5.709 -13.350 621 HB3 LYS 84 1HB LYS 84 8.980 -4.780 -12.452 622 HG2 LYS 84 2HG LYS 84 9.750 -6.786 -11.338 623 HG3 LYS 84 1HG LYS 84 8.504 -7.740 -12.148 624 HD2 LYS 84 2HD LYS 84 9.503 -7.097 -14.325 625 HD3 LYS 84 1HD LYS 84 10.796 -6.276 -13.452 626 HE2 LYS 84 2HE LYS 84 10.140 -9.209 -13.223 627 HE3 LYS 84 1HE LYS 84 11.429 -8.534 -14.215 628 HZ1 LYS 84 3HZ LYS 84 12.313 -9.313 -12.138 629 HZ2 LYS 84 1HZ LYS 84 11.219 -8.366 -11.259 630 HZ3 LYS 84 2HZ LYS 84 12.428 -7.628 -12.187 631 H VAL 85 H VAL 85 8.454 -3.264 -10.551 632 HA VAL 85 HA VAL 85 9.946 -4.337 -8.368 633 HB VAL 85 HB VAL 85 9.338 -1.440 -8.993 634 HG11 VAL 85 1HG1 VAL 85 11.470 -2.677 -7.252 635 HG12 VAL 85 2HG1 VAL 85 10.085 -1.734 -6.700 636 HG13 VAL 85 3HG1 VAL 85 11.348 -0.967 -7.661 637 HG21 VAL 85 3HG2 VAL 85 10.444 -2.502 -10.863 638 HG22 VAL 85 1HG2 VAL 85 11.670 -3.180 -9.791 639 HG23 VAL 85 2HG2 VAL 85 11.579 -1.436 -10.033 640 H PHE 86 H PHE 86 6.917 -2.535 -8.652 641 HA PHE 86 HA PHE 86 6.445 -2.204 -5.902 642 HB2 PHE 86 2HB PHE 86 5.236 -0.992 -7.677 643 HB3 PHE 86 1HB PHE 86 4.452 -2.482 -8.161 644 HD1 PHE 86 1HD PHE 86 4.762 -0.021 -5.431 645 HD2 PHE 86 2HD PHE 86 2.506 -3.250 -7.040 646 HE1 PHE 86 1HE PHE 86 2.957 0.449 -3.831 647 HE2 PHE 86 2HE PHE 86 0.696 -2.784 -5.441 648 HZ PHE 86 HZ PHE 86 0.919 -0.933 -3.835 649 H LEU 87 H LEU 87 5.708 -4.866 -8.124 650 HA LEU 87 HA LEU 87 4.320 -6.489 -6.287 651 HB2 LEU 87 2HB LEU 87 6.030 -7.251 -8.654 652 HB3 LEU 87 1HB LEU 87 5.049 -8.386 -7.751 653 HG LEU 87 HG LEU 87 3.958 -6.011 -9.264 654 HD11 LEU 87 1HD1 LEU 87 3.984 -8.930 -10.011 655 HD12 LEU 87 2HD1 LEU 87 4.945 -7.661 -10.768 656 HD13 LEU 87 3HD1 LEU 87 3.187 -7.634 -10.904 657 HD21 LEU 87 3HD2 LEU 87 2.645 -8.294 -7.803 658 HD22 LEU 87 1HD2 LEU 87 1.809 -7.299 -8.994 659 HD23 LEU 87 2HD2 LEU 87 2.447 -6.564 -7.525 660 H LYS 88 H LYS 88 7.739 -6.408 -7.217 661 HA LYS 88 HA LYS 88 8.620 -8.418 -5.470 662 HB2 LYS 88 2HB LYS 88 9.928 -6.245 -7.023 663 HB3 LYS 88 1HB LYS 88 10.864 -7.017 -5.750 664 HG2 LYS 88 2HG LYS 88 9.477 -8.574 -7.909 665 HG3 LYS 88 1HG LYS 88 11.129 -7.969 -8.063 666 HD2 LYS 88 2HD LYS 88 11.717 -9.175 -5.982 667 HD3 LYS 88 1HD LYS 88 10.089 -9.854 -5.951 668 HE2 LYS 88 2HE LYS 88 10.471 -10.991 -8.042 669 HE3 LYS 88 1HE LYS 88 12.047 -10.217 -8.215 670 HZ1 LYS 88 3HZ LYS 88 12.206 -12.503 -7.398 671 HZ2 LYS 88 1HZ LYS 88 11.300 -12.088 -6.033 672 HZ3 LYS 88 2HZ LYS 88 12.823 -11.399 -6.278 673 H ALA 89 H ALA 89 7.703 -5.192 -4.801 674 HA ALA 89 HA ALA 89 9.268 -4.669 -2.526 675 HB1 ALA 89 1HB ALA 89 7.907 -2.962 -3.652 676 HB2 ALA 89 2HB ALA 89 7.562 -3.042 -1.924 677 HB3 ALA 89 3HB ALA 89 6.443 -3.763 -3.079 678 H GLY 90 H GLY 90 6.426 -6.636 -3.016 679 HA2 GLY 90 2HA GLY 90 6.461 -7.309 -0.137 680 HA3 GLY 90 1HA GLY 90 4.977 -7.218 -1.073 681 H ASP 91 H ASP 91 5.782 -8.531 -3.396 682 HA ASP 91 HA ASP 91 5.433 -11.244 -2.627 683 HB2 ASP 91 2HB ASP 91 4.635 -10.349 -4.775 684 HB3 ASP 91 1HB ASP 91 6.309 -10.168 -5.305 685 H SER 92 H SER 92 6.948 -12.480 -1.769 686 HA SER 92 HA SER 92 9.770 -11.836 -2.247 687 HB2 SER 92 2HB SER 92 8.788 -12.014 0.102 688 HB3 SER 92 1HB SER 92 8.643 -13.744 -0.191 689 HG SER 92 HG SER 92 10.899 -12.185 0.248 690 H ASP 93 H ASP 93 7.418 -13.850 -3.386 691 HA ASP 93 HA ASP 93 9.113 -16.227 -3.618 692 HB2 ASP 93 2HB ASP 93 6.360 -16.075 -4.775 693 HB3 ASP 93 1HB ASP 93 7.207 -17.457 -4.094 694 H GLY 94 H GLY 94 8.062 -13.559 -5.493 695 HA2 GLY 94 2HA GLY 94 8.702 -12.939 -7.631 696 HA3 GLY 94 1HA GLY 94 9.564 -14.467 -7.780 697 H ASP 95 H ASP 95 6.184 -14.006 -6.936 698 HA ASP 95 HA ASP 95 5.399 -16.000 -8.878 699 HB2 ASP 95 2HB ASP 95 3.533 -14.280 -7.244 700 HB3 ASP 95 1HB ASP 95 3.212 -15.861 -7.939 701 H GLY 96 H GLY 96 5.705 -12.612 -8.768 702 HA2 GLY 96 2HA GLY 96 5.194 -11.006 -10.380 703 HA3 GLY 96 1HA GLY 96 4.387 -12.255 -11.326 704 H LYS 97 H LYS 97 3.791 -11.658 -7.961 705 HA LYS 97 HA LYS 97 1.114 -10.592 -8.497 706 HB2 LYS 97 2HB LYS 97 -0.006 -12.428 -7.728 707 HB3 LYS 97 1HB LYS 97 1.420 -13.267 -8.314 708 HG2 LYS 97 2HG LYS 97 2.347 -13.010 -5.922 709 HG3 LYS 97 1HG LYS 97 0.690 -12.567 -5.487 710 HD2 LYS 97 2HD LYS 97 1.583 -15.163 -6.734 711 HD3 LYS 97 1HD LYS 97 0.981 -14.923 -5.095 712 HE2 LYS 97 2HE LYS 97 -1.204 -14.338 -5.935 713 HE3 LYS 97 1HE LYS 97 -0.621 -14.397 -7.597 714 HZ1 LYS 97 3HZ LYS 97 -1.780 -16.408 -7.132 715 HZ2 LYS 97 1HZ LYS 97 -0.884 -16.678 -5.718 716 HZ3 LYS 97 2HZ LYS 97 -0.132 -16.780 -7.226 717 H ILE 98 H ILE 98 0.017 -10.106 -6.326 718 HA ILE 98 HA ILE 98 2.060 -9.645 -4.246 719 HB ILE 98 HB ILE 98 -0.518 -8.186 -4.781 720 HG12 ILE 98 2HG1 ILE 98 1.408 -7.404 -6.059 721 HG13 ILE 98 1HG1 ILE 98 0.938 -6.208 -4.856 722 HG21 ILE 98 1HG2 ILE 98 -0.180 -6.940 -2.753 723 HG22 ILE 98 2HG2 ILE 98 1.267 -7.879 -2.387 724 HG23 ILE 98 3HG2 ILE 98 -0.314 -8.659 -2.389 725 HD11 ILE 98 3HD1 ILE 98 3.267 -6.281 -4.772 726 HD12 ILE 98 1HD1 ILE 98 3.304 -8.043 -4.837 727 HD13 ILE 98 2HD1 ILE 98 2.737 -7.225 -3.382 728 H GLY 99 H GLY 99 1.963 -11.518 -3.048 729 HA2 GLY 99 2HA GLY 99 -0.395 -12.792 -2.218 730 HA3 GLY 99 1HA GLY 99 1.104 -12.741 -1.287 731 H VAL 100 H VAL 100 -1.876 -12.277 -0.591 732 HA VAL 100 HA VAL 100 -2.349 -9.599 -0.204 733 HB VAL 100 HB VAL 100 -3.895 -10.447 1.626 734 HG11 VAL 100 1HG1 VAL 100 -4.662 -9.937 -0.615 735 HG12 VAL 100 2HG1 VAL 100 -5.436 -11.425 -0.067 736 HG13 VAL 100 3HG1 VAL 100 -4.080 -11.498 -1.195 737 HG21 VAL 100 3HG2 VAL 100 -3.098 -13.122 0.519 738 HG22 VAL 100 1HG2 VAL 100 -4.359 -12.808 1.708 739 HG23 VAL 100 2HG2 VAL 100 -2.669 -12.523 2.121 740 H ASP 101 H ASP 101 -0.893 -11.937 2.015 741 HA ASP 101 HA ASP 101 -0.483 -9.935 4.036 742 HB2 ASP 101 2HB ASP 101 0.472 -11.697 5.341 743 HB3 ASP 101 1HB ASP 101 -0.934 -12.348 4.497 744 H GLU 102 H GLU 102 1.197 -11.069 1.274 745 HA GLU 102 HA GLU 102 3.805 -10.165 1.960 746 HB2 GLU 102 2HB GLU 102 2.546 -10.374 -0.801 747 HB3 GLU 102 1HB GLU 102 4.265 -10.203 -0.458 748 HG2 GLU 102 2HG GLU 102 4.023 -12.391 0.859 749 HG3 GLU 102 1HG GLU 102 2.493 -12.571 0.010 750 H PHE 103 H PHE 103 0.944 -8.674 0.574 751 HA PHE 103 HA PHE 103 2.086 -6.186 -0.109 752 HB2 PHE 103 2HB PHE 103 -0.225 -7.116 -0.750 753 HB3 PHE 103 1HB PHE 103 -0.758 -6.539 0.824 754 HD1 PHE 103 1HD PHE 103 1.007 -5.351 -2.228 755 HD2 PHE 103 2HD PHE 103 -1.597 -4.391 0.998 756 HE1 PHE 103 1HE PHE 103 0.647 -3.123 -3.194 757 HE2 PHE 103 2HE PHE 103 -1.960 -2.156 0.029 758 HZ PHE 103 HZ PHE 103 -0.841 -1.521 -2.065 759 H GLY 104 H GLY 104 0.340 -7.270 2.791 760 HA2 GLY 104 2HA GLY 104 0.487 -4.918 4.278 761 HA3 GLY 104 1HA GLY 104 0.448 -6.533 4.970 762 H ALA 105 H ALA 105 2.902 -7.440 3.836 763 HA ALA 105 HA ALA 105 4.720 -6.496 5.783 764 HB1 ALA 105 1HB ALA 105 4.793 -8.770 4.860 765 HB2 ALA 105 2HB ALA 105 6.345 -7.947 4.712 766 HB3 ALA 105 3HB ALA 105 5.299 -8.113 3.303 767 H MET 106 H MET 106 4.274 -5.705 2.355 768 HA MET 106 HA MET 106 6.726 -4.231 2.179 769 HB2 MET 106 2HB MET 106 6.215 -3.821 -0.028 770 HB3 MET 106 1HB MET 106 5.249 -5.262 0.250 771 HG2 MET 106 2HG MET 106 3.258 -4.062 0.319 772 HG3 MET 106 1HG MET 106 4.079 -2.534 0.615 773 HE1 MET 106 3HE MET 106 4.632 -5.371 -2.187 774 HE2 MET 106 1HE MET 106 3.621 -4.653 -3.441 775 HE3 MET 106 2HE MET 106 2.903 -5.160 -1.914 776 H ILE 107 H ILE 107 3.534 -3.520 3.262 777 HA ILE 107 HA ILE 107 3.724 -0.665 2.908 778 HB ILE 107 HB ILE 107 1.759 -2.294 4.547 779 HG12 ILE 107 2HG1 ILE 107 1.529 -1.128 1.763 780 HG13 ILE 107 1HG1 ILE 107 1.729 -2.835 2.145 781 HG21 ILE 107 1HG2 ILE 107 1.601 0.574 3.623 782 HG22 ILE 107 2HG2 ILE 107 1.897 0.041 5.276 783 HG23 ILE 107 3HG2 ILE 107 0.351 -0.307 4.501 784 HD11 ILE 107 3HD1 ILE 107 -0.565 -2.363 1.622 785 HD12 ILE 107 1HD1 ILE 107 -0.620 -1.105 2.854 786 HD13 ILE 107 2HD1 ILE 107 -0.421 -2.791 3.326 787 H LYS 108 H LYS 108 4.319 -3.016 5.359 788 HA LYS 108 HA LYS 108 4.805 -1.020 7.404 789 HB2 LYS 108 2HB LYS 108 3.640 -2.980 8.079 790 HB3 LYS 108 1HB LYS 108 4.846 -4.038 7.359 791 HG2 LYS 108 2HG LYS 108 5.776 -2.221 9.501 792 HG3 LYS 108 1HG LYS 108 4.699 -3.534 9.978 793 HD2 LYS 108 2HD LYS 108 7.231 -3.899 8.378 794 HD3 LYS 108 1HD LYS 108 7.122 -4.101 10.126 795 HE2 LYS 108 2HE LYS 108 5.441 -5.868 9.797 796 HE3 LYS 108 1HE LYS 108 5.601 -5.681 8.052 797 HZ1 LYS 108 3HZ LYS 108 7.783 -6.491 9.892 798 HZ2 LYS 108 1HZ LYS 108 7.903 -6.352 8.214 799 HZ3 LYS 108 2HZ LYS 108 6.910 -7.538 8.894 800 H ALA 109 H ALA 109 6.539 -2.490 4.928 801 HA ALA 109 HA ALA 109 9.092 -2.667 6.222 802 HB1 ALA 109 1HB ALA 109 8.445 -2.686 3.277 803 HB2 ALA 109 2HB ALA 109 8.506 -4.106 4.320 804 HB3 ALA 109 3HB ALA 109 9.970 -3.171 4.017 Start of MODEL 7 1 H1 MET 1 1HT MET 1 -14.563 10.928 3.605 2 H2 MET 1 2HT MET 1 -13.442 12.094 4.090 3 H3 MET 1 3HT MET 1 -12.905 10.637 3.427 4 HA MET 1 HA MET 1 -14.425 12.756 2.030 5 HB2 MET 1 2HB MET 1 -11.970 13.162 2.474 6 HB3 MET 1 1HB MET 1 -11.630 11.748 1.488 7 HG2 MET 1 2HG MET 1 -12.785 12.841 -0.405 8 HG3 MET 1 1HG MET 1 -12.979 14.281 0.592 9 HE1 MET 1 2HE MET 1 -11.744 14.650 -2.141 10 HE2 MET 1 3HE MET 1 -10.246 15.530 -1.845 11 HE3 MET 1 1HE MET 1 -11.713 15.965 -0.968 12 H ALA 2 H ALA 2 -12.593 9.714 1.546 13 HA ALA 2 HA ALA 2 -14.544 9.022 -0.545 14 HB1 ALA 2 1HB ALA 2 -12.753 8.012 -1.853 15 HB2 ALA 2 2HB ALA 2 -11.574 8.516 -0.643 16 HB3 ALA 2 3HB ALA 2 -12.446 9.728 -1.583 17 H PHE 3 H PHE 3 -15.458 7.129 -0.341 18 HA PHE 3 HA PHE 3 -16.083 5.114 0.492 19 HB2 PHE 3 2HB PHE 3 -14.045 4.690 -1.064 20 HB3 PHE 3 1HB PHE 3 -13.189 4.319 0.429 21 HD1 PHE 3 1HD PHE 3 -13.976 2.426 1.854 22 HD2 PHE 3 2HD PHE 3 -15.567 3.171 -2.020 23 HE1 PHE 3 1HE PHE 3 -14.884 0.141 1.790 24 HE2 PHE 3 2HE PHE 3 -16.477 0.889 -2.091 25 HZ PHE 3 HZ PHE 3 -16.137 -0.628 -0.184 26 H ALA 4 H ALA 4 -16.580 6.130 2.558 27 HA ALA 4 HA ALA 4 -16.714 6.004 4.824 28 HB1 ALA 4 1HB ALA 4 -16.521 3.595 4.517 29 HB2 ALA 4 2HB ALA 4 -15.675 4.108 5.977 30 HB3 ALA 4 3HB ALA 4 -14.760 3.724 4.517 31 H GLY 5 H GLY 5 -14.458 7.430 3.312 32 HA2 GLY 5 2HA GLY 5 -12.699 8.812 3.819 33 HA3 GLY 5 1HA GLY 5 -13.223 8.693 5.499 34 H ILE 6 H ILE 6 -12.452 5.770 3.852 35 HA ILE 6 HA ILE 6 -10.304 5.162 5.605 36 HB ILE 6 HB ILE 6 -11.266 3.855 3.059 37 HG12 ILE 6 2HG1 ILE 6 -11.434 3.078 5.976 38 HG13 ILE 6 1HG1 ILE 6 -12.757 3.663 4.974 39 HG21 ILE 6 1HG2 ILE 6 -8.872 3.434 3.247 40 HG22 ILE 6 2HG2 ILE 6 -9.789 1.965 3.584 41 HG23 ILE 6 3HG2 ILE 6 -9.084 2.890 4.911 42 HD11 ILE 6 3HD1 ILE 6 -12.878 1.264 5.281 43 HD12 ILE 6 1HD1 ILE 6 -11.259 1.081 4.603 44 HD13 ILE 6 2HD1 ILE 6 -12.582 1.662 3.588 45 H LEU 7 H LEU 7 -10.561 6.454 2.377 46 HA LEU 7 HA LEU 7 -7.810 7.375 2.592 47 HB2 LEU 7 2HB LEU 7 -7.226 6.792 0.346 48 HB3 LEU 7 1HB LEU 7 -7.726 5.350 1.191 49 HG LEU 7 HG LEU 7 -8.552 5.121 -0.985 50 HD11 LEU 7 1HD1 LEU 7 -10.880 6.157 0.604 51 HD12 LEU 7 2HD1 LEU 7 -10.224 4.520 0.659 52 HD13 LEU 7 3HD1 LEU 7 -10.964 5.124 -0.823 53 HD21 LEU 7 3HD2 LEU 7 -9.566 7.946 -0.832 54 HD22 LEU 7 1HD2 LEU 7 -9.890 6.824 -2.153 55 HD23 LEU 7 2HD2 LEU 7 -8.239 7.337 -1.820 56 H ASN 8 H ASN 8 -7.370 9.223 1.179 57 HA ASN 8 HA ASN 8 -9.804 10.837 0.862 58 HB2 ASN 8 2HB ASN 8 -6.896 11.546 1.208 59 HB3 ASN 8 1HB ASN 8 -8.071 12.727 0.636 60 HD21 ASN 8 1HD2 ASN 8 -7.267 10.583 3.261 61 HD22 ASN 8 2HD2 ASN 8 -8.073 11.475 4.505 62 H ASP 9 H ASP 9 -10.403 11.571 -1.158 63 HA ASP 9 HA ASP 9 -9.417 10.510 -3.530 64 HB2 ASP 9 2HB ASP 9 -10.786 13.163 -3.038 65 HB3 ASP 9 1HB ASP 9 -10.442 12.537 -4.642 66 H ALA 10 H ALA 10 -8.490 13.343 -1.738 67 HA ALA 10 HA ALA 10 -6.758 14.473 -3.674 68 HB1 ALA 10 1HB ALA 10 -6.012 15.887 -1.792 69 HB2 ALA 10 2HB ALA 10 -6.936 14.863 -0.687 70 HB3 ALA 10 3HB ALA 10 -7.769 15.803 -1.925 71 H ASP 11 H ASP 11 -6.156 12.396 -0.822 72 HA ASP 11 HA ASP 11 -3.320 12.634 -1.070 73 HB2 ASP 11 2HB ASP 11 -3.160 11.477 0.893 74 HB3 ASP 11 1HB ASP 11 -4.831 12.003 1.007 75 H ILE 12 H ILE 12 -5.667 10.198 -1.866 76 HA ILE 12 HA ILE 12 -3.908 8.269 -2.864 77 HB ILE 12 HB ILE 12 -6.616 8.454 -2.551 78 HG12 ILE 12 2HG1 ILE 12 -6.647 6.144 -3.563 79 HG13 ILE 12 1HG1 ILE 12 -4.970 6.413 -4.031 80 HG21 ILE 12 1HG2 ILE 12 -7.667 7.956 -4.707 81 HG22 ILE 12 2HG2 ILE 12 -6.137 8.280 -5.521 82 HG23 ILE 12 3HG2 ILE 12 -6.976 9.579 -4.671 83 HD11 ILE 12 3HD1 ILE 12 -6.059 6.404 -1.234 84 HD12 ILE 12 1HD1 ILE 12 -4.388 6.741 -1.679 85 HD13 ILE 12 2HD1 ILE 12 -5.078 5.147 -1.986 86 H THR 13 H THR 13 -5.360 11.081 -4.380 87 HA THR 13 HA THR 13 -4.343 10.526 -6.991 88 HB THR 13 HB THR 13 -5.537 13.001 -5.745 89 HG1 THR 13 1HG THR 13 -7.200 11.693 -6.000 90 HG21 THR 13 3HG2 THR 13 -5.800 13.886 -7.992 91 HG22 THR 13 1HG2 THR 13 -4.945 12.493 -8.658 92 HG23 THR 13 2HG2 THR 13 -4.095 13.638 -7.620 93 H ALA 14 H ALA 14 -3.270 12.387 -4.212 94 HA ALA 14 HA ALA 14 -1.275 13.919 -5.444 95 HB1 ALA 14 1HB ALA 14 -0.342 14.198 -3.212 96 HB2 ALA 14 2HB ALA 14 -1.326 12.860 -2.620 97 HB3 ALA 14 3HB ALA 14 -2.099 14.344 -3.175 98 H ALA 15 H ALA 15 -1.018 10.803 -3.741 99 HA ALA 15 HA ALA 15 1.717 10.409 -4.278 100 HB1 ALA 15 1HB ALA 15 -0.456 8.404 -3.698 101 HB2 ALA 15 2HB ALA 15 0.610 9.185 -2.525 102 HB3 ALA 15 3HB ALA 15 1.272 8.048 -3.704 103 H LEU 16 H LEU 16 -1.202 9.336 -5.985 104 HA LEU 16 HA LEU 16 0.151 7.848 -7.978 105 HB2 LEU 16 2HB LEU 16 -2.611 9.059 -7.914 106 HB3 LEU 16 1HB LEU 16 -2.036 8.038 -9.213 107 HG LEU 16 HG LEU 16 -2.163 7.148 -6.335 108 HD11 LEU 16 1HD1 LEU 16 -4.144 6.739 -8.566 109 HD12 LEU 16 2HD1 LEU 16 -4.402 7.653 -7.077 110 HD13 LEU 16 3HD1 LEU 16 -4.175 5.902 -7.014 111 HD21 LEU 16 3HD2 LEU 16 -1.821 5.635 -8.923 112 HD22 LEU 16 1HD2 LEU 16 -1.995 4.907 -7.326 113 HD23 LEU 16 2HD2 LEU 16 -0.584 5.899 -7.693 114 H ALA 17 H ALA 17 -0.354 11.208 -7.561 115 HA ALA 17 HA ALA 17 0.064 11.936 -10.312 116 HB1 ALA 17 1HB ALA 17 0.211 13.601 -7.799 117 HB2 ALA 17 2HB ALA 17 -1.203 13.401 -8.835 118 HB3 ALA 17 3HB ALA 17 0.229 14.227 -9.447 119 H ALA 18 H ALA 18 2.017 11.518 -7.441 120 HA ALA 18 HA ALA 18 4.383 12.673 -8.580 121 HB1 ALA 18 1HB ALA 18 4.003 12.674 -6.159 122 HB2 ALA 18 2HB ALA 18 5.504 11.847 -6.577 123 HB3 ALA 18 3HB ALA 18 4.072 10.911 -6.147 124 H CYS 19 H CYS 19 3.005 9.458 -8.269 125 HA CYS 19 HA CYS 19 5.389 8.267 -9.461 126 HB2 CYS 19 2HB CYS 19 4.315 6.116 -9.002 127 HB3 CYS 19 1HB CYS 19 4.364 7.116 -7.554 128 HG CYS 19 HG CYS 19 1.665 6.289 -9.459 129 H LYS 20 H LYS 20 3.526 10.075 -10.936 130 HA LYS 20 HA LYS 20 2.238 8.403 -12.886 131 HB2 LYS 20 2HB LYS 20 1.450 10.708 -12.262 132 HB3 LYS 20 1HB LYS 20 2.875 11.356 -13.061 133 HG2 LYS 20 2HG LYS 20 2.140 10.413 -15.174 134 HG3 LYS 20 1HG LYS 20 0.730 9.715 -14.382 135 HD2 LYS 20 2HD LYS 20 0.034 11.720 -15.486 136 HD3 LYS 20 1HD LYS 20 0.031 12.029 -13.750 137 HE2 LYS 20 2HE LYS 20 0.985 13.912 -14.947 138 HE3 LYS 20 1HE LYS 20 2.212 13.133 -13.952 139 HZ1 LYS 20 3HZ LYS 20 1.865 12.644 -16.861 140 HZ2 LYS 20 1HZ LYS 20 3.118 12.076 -15.875 141 HZ3 LYS 20 2HZ LYS 20 2.985 13.728 -16.203 142 H ALA 21 H ALA 21 5.382 9.425 -12.287 143 HA ALA 21 HA ALA 21 6.336 9.447 -14.992 144 HB1 ALA 21 1HB ALA 21 8.575 9.466 -13.941 145 HB2 ALA 21 2HB ALA 21 7.807 9.269 -12.366 146 HB3 ALA 21 3HB ALA 21 7.513 10.726 -13.312 147 H GLU 22 H GLU 22 6.839 7.762 -16.195 148 HA GLU 22 HA GLU 22 6.114 5.163 -15.507 149 HB2 GLU 22 2HB GLU 22 7.957 6.112 -17.703 150 HB3 GLU 22 1HB GLU 22 7.264 4.500 -17.601 151 HG2 GLU 22 2HG GLU 22 5.039 5.399 -17.852 152 HG3 GLU 22 1HG GLU 22 5.674 7.043 -17.838 153 H GLY 23 H GLY 23 7.037 3.932 -14.034 154 HA2 GLY 23 2HA GLY 23 8.736 2.391 -13.457 155 HA3 GLY 23 1HA GLY 23 9.903 3.387 -14.312 156 H SER 24 H SER 24 8.093 5.458 -12.521 157 HA SER 24 HA SER 24 10.036 5.353 -10.308 158 HB2 SER 24 2HB SER 24 8.579 7.760 -11.424 159 HB3 SER 24 1HB SER 24 9.773 7.782 -10.126 160 HG SER 24 HG SER 24 10.655 6.526 -12.397 161 H PHE 25 H PHE 25 8.594 3.868 -9.216 162 HA PHE 25 HA PHE 25 6.254 5.217 -8.042 163 HB2 PHE 25 2HB PHE 25 5.862 3.106 -9.439 164 HB3 PHE 25 1HB PHE 25 6.680 2.231 -8.147 165 HD1 PHE 25 2HD PHE 25 5.663 2.111 -5.899 166 HD2 PHE 25 1HD PHE 25 3.631 3.875 -9.193 167 HE1 PHE 25 2HE PHE 25 3.536 1.950 -4.672 168 HE2 PHE 25 1HE PHE 25 1.503 3.718 -7.970 169 HZ PHE 25 HZ PHE 25 1.454 2.753 -5.708 170 H ASP 26 H ASP 26 6.813 5.976 -6.096 171 HA ASP 26 HA ASP 26 8.817 4.628 -4.508 172 HB2 ASP 26 2HB ASP 26 8.321 6.491 -2.859 173 HB3 ASP 26 1HB ASP 26 8.954 6.993 -4.418 174 H HIS 27 H HIS 27 7.778 2.645 -4.196 175 HA HIS 27 HA HIS 27 5.172 2.237 -3.410 176 HB2 HIS 27 2HB HIS 27 5.828 -0.021 -2.737 177 HB3 HIS 27 1HB HIS 27 6.578 0.436 -4.251 178 HD1 HIS 27 1HD HIS 27 9.139 0.576 -4.331 179 HD2 HIS 27 2HD HIS 27 7.614 -0.370 -0.579 180 HE1 HIS 27 1HE HIS 27 11.106 -0.208 -2.978 181 HE2 HIS 27 2HE HIS 27 10.134 -0.916 -0.762 182 H LYS 28 H LYS 28 7.956 2.634 -1.344 183 HA LYS 28 HA LYS 28 6.545 1.929 1.035 184 HB2 LYS 28 2HB LYS 28 9.003 1.706 0.555 185 HB3 LYS 28 1HB LYS 28 9.096 3.459 0.728 186 HG2 LYS 28 2HG LYS 28 8.291 3.292 3.034 187 HG3 LYS 28 1HG LYS 28 8.220 1.536 2.875 188 HD2 LYS 28 2HD LYS 28 10.629 1.457 2.516 189 HD3 LYS 28 1HD LYS 28 10.713 3.217 2.612 190 HE2 LYS 28 2HE LYS 28 9.937 3.149 4.916 191 HE3 LYS 28 1HE LYS 28 9.776 1.397 4.829 192 HZ1 LYS 28 3HZ LYS 28 12.309 2.932 4.607 193 HZ2 LYS 28 1HZ LYS 28 12.174 1.251 4.466 194 HZ3 LYS 28 2HZ LYS 28 11.815 2.006 5.933 195 H ALA 29 H ALA 29 7.817 4.929 -0.337 196 HA ALA 29 HA ALA 29 6.754 6.667 1.581 197 HB1 ALA 29 1HB ALA 29 7.140 8.436 -0.018 198 HB2 ALA 29 2HB ALA 29 7.306 7.259 -1.318 199 HB3 ALA 29 3HB ALA 29 8.500 7.314 -0.022 200 H PHE 30 H PHE 30 5.385 5.167 -1.263 201 HA PHE 30 HA PHE 30 3.068 6.637 -1.612 202 HB2 PHE 30 2HB PHE 30 3.762 4.837 -3.130 203 HB3 PHE 30 1HB PHE 30 3.424 3.644 -1.884 204 HD1 PHE 30 1HD PHE 30 1.909 6.075 -4.194 205 HD2 PHE 30 2HD PHE 30 1.213 2.867 -1.486 206 HE1 PHE 30 1HE PHE 30 -0.400 5.879 -5.024 207 HE2 PHE 30 2HE PHE 30 -1.096 2.666 -2.309 208 HZ PHE 30 HZ PHE 30 -1.905 4.174 -4.082 209 H PHE 31 H PHE 31 3.535 3.791 0.484 210 HA PHE 31 HA PHE 31 0.883 3.865 1.476 211 HB2 PHE 31 2HB PHE 31 3.352 2.536 2.579 212 HB3 PHE 31 1HB PHE 31 1.720 2.275 3.191 213 HD1 PHE 31 2HD PHE 31 -0.028 1.774 1.198 214 HD2 PHE 31 1HD PHE 31 4.144 0.947 1.133 215 HE1 PHE 31 2HE PHE 31 -0.400 0.068 -0.533 216 HE2 PHE 31 1HE PHE 31 3.781 -0.757 -0.602 217 HZ PHE 31 HZ PHE 31 1.507 -1.200 -1.436 218 H THR 32 H THR 32 3.862 5.358 2.615 219 HA THR 32 HA THR 32 2.616 6.130 5.096 220 HB THR 32 HB THR 32 4.937 5.644 5.231 221 HG1 THR 32 1HG THR 32 5.124 7.209 6.607 222 HG21 THR 32 3HG2 THR 32 5.301 7.709 3.073 223 HG22 THR 32 1HG2 THR 32 5.701 5.990 3.007 224 HG23 THR 32 2HG2 THR 32 6.628 7.074 4.048 225 H LYS 33 H LYS 33 3.021 7.552 1.952 226 HA LYS 33 HA LYS 33 2.249 10.203 2.839 227 HB2 LYS 33 2HB LYS 33 2.558 10.876 0.590 228 HB3 LYS 33 1HB LYS 33 3.805 9.674 0.874 229 HG2 LYS 33 2HG LYS 33 1.985 8.059 -0.122 230 HG3 LYS 33 1HG LYS 33 1.383 9.551 -0.834 231 HD2 LYS 33 2HD LYS 33 4.140 8.373 -1.165 232 HD3 LYS 33 1HD LYS 33 2.874 8.448 -2.386 233 HE2 LYS 33 2HE LYS 33 2.997 10.918 -2.295 234 HE3 LYS 33 1HE LYS 33 4.344 10.773 -1.164 235 HZ1 LYS 33 3HZ LYS 33 5.289 11.059 -3.290 236 HZ2 LYS 33 1HZ LYS 33 4.262 9.916 -3.997 237 HZ3 LYS 33 2HZ LYS 33 5.476 9.408 -2.936 238 H VAL 34 H VAL 34 0.793 7.310 1.780 239 HA VAL 34 HA VAL 34 -1.752 8.528 1.085 240 HB VAL 34 HB VAL 34 -0.374 6.219 0.321 241 HG11 VAL 34 1HG1 VAL 34 -2.841 5.422 1.841 242 HG12 VAL 34 2HG1 VAL 34 -1.176 4.967 2.207 243 HG13 VAL 34 3HG1 VAL 34 -1.946 4.385 0.730 244 HG21 VAL 34 3HG2 VAL 34 -1.752 7.491 -1.143 245 HG22 VAL 34 1HG2 VAL 34 -3.196 7.072 -0.222 246 HG23 VAL 34 2HG2 VAL 34 -2.334 5.825 -1.125 247 H GLY 35 H GLY 35 -0.176 7.215 3.819 248 HA2 GLY 35 2HA GLY 35 -0.956 7.485 6.019 249 HA3 GLY 35 1HA GLY 35 -2.590 7.650 5.395 250 H LEU 36 H LEU 36 -1.021 4.999 4.019 251 HA LEU 36 HA LEU 36 -2.735 3.215 5.551 252 HB2 LEU 36 2HB LEU 36 -2.471 3.170 3.008 253 HB3 LEU 36 1HB LEU 36 -0.904 2.437 3.292 254 HG LEU 36 HG LEU 36 -2.093 0.610 4.561 255 HD11 LEU 36 1HD1 LEU 36 -4.528 1.866 3.304 256 HD12 LEU 36 2HD1 LEU 36 -4.160 1.817 5.027 257 HD13 LEU 36 3HD1 LEU 36 -4.478 0.320 4.153 258 HD21 LEU 36 3HD2 LEU 36 -2.785 -0.573 2.564 259 HD22 LEU 36 1HD2 LEU 36 -1.300 0.328 2.262 260 HD23 LEU 36 2HD2 LEU 36 -2.841 0.942 1.660 261 H ALA 37 H ALA 37 0.179 4.446 6.120 262 HA ALA 37 HA ALA 37 1.326 1.998 7.242 263 HB1 ALA 37 1HB ALA 37 2.331 4.849 7.377 264 HB2 ALA 37 2HB ALA 37 2.800 3.662 6.160 265 HB3 ALA 37 3HB ALA 37 3.216 3.398 7.854 266 H ALA 38 H ALA 38 -0.831 4.468 8.061 267 HA ALA 38 HA ALA 38 -0.576 3.866 10.935 268 HB1 ALA 38 1HB ALA 38 -1.296 6.151 11.426 269 HB2 ALA 38 2HB ALA 38 -1.360 6.508 9.700 270 HB3 ALA 38 3HB ALA 38 0.186 6.148 10.469 271 H LYS 39 H LYS 39 -2.184 2.577 8.916 272 HA LYS 39 HA LYS 39 -4.917 3.403 9.323 273 HB2 LYS 39 2HB LYS 39 -5.280 1.131 8.070 274 HB3 LYS 39 1HB LYS 39 -4.654 2.527 7.211 275 HG2 LYS 39 2HG LYS 39 -3.483 0.431 6.659 276 HG3 LYS 39 1HG LYS 39 -2.424 1.683 7.296 277 HD2 LYS 39 2HD LYS 39 -2.810 0.490 9.575 278 HD3 LYS 39 1HD LYS 39 -3.324 -0.872 8.574 279 HE2 LYS 39 2HE LYS 39 -1.203 -0.893 7.432 280 HE3 LYS 39 1HE LYS 39 -0.696 0.569 8.272 281 HZ1 LYS 39 3HZ LYS 39 0.287 -1.424 9.236 282 HZ2 LYS 39 1HZ LYS 39 -1.248 -2.050 9.560 283 HZ3 LYS 39 2HZ LYS 39 -0.722 -0.652 10.351 284 H SER 40 H SER 40 -6.486 1.489 9.789 285 HA SER 40 HA SER 40 -5.580 0.076 12.190 286 HB2 SER 40 2HB SER 40 -8.396 0.342 11.101 287 HB3 SER 40 1HB SER 40 -7.927 -0.230 12.703 288 HG SER 40 HG SER 40 -7.422 2.385 11.699 289 HA PRO 41 HA PRO 41 -5.009 -3.860 10.374 290 HB2 PRO 41 2HB PRO 41 -7.262 -4.853 12.071 291 HB3 PRO 41 1HB PRO 41 -5.651 -5.541 11.827 292 HG2 PRO 41 2HG PRO 41 -6.205 -4.175 14.036 293 HG3 PRO 41 1HG PRO 41 -4.635 -3.996 13.231 294 HD2 PRO 41 2HD PRO 41 -6.948 -2.130 13.307 295 HD3 PRO 41 1HD PRO 41 -5.215 -1.776 13.200 296 H ALA 42 H ALA 42 -8.488 -3.214 10.807 297 HA ALA 42 HA ALA 42 -9.368 -5.018 8.835 298 HB1 ALA 42 1HB ALA 42 -10.804 -4.172 10.613 299 HB2 ALA 42 2HB ALA 42 -11.515 -3.897 9.023 300 HB3 ALA 42 3HB ALA 42 -10.755 -2.564 9.891 301 H ASP 43 H ASP 43 -8.357 -1.666 8.644 302 HA ASP 43 HA ASP 43 -9.456 -1.074 6.111 303 HB2 ASP 43 2HB ASP 43 -7.016 0.077 7.481 304 HB3 ASP 43 1HB ASP 43 -7.727 0.728 6.010 305 H ILE 44 H ILE 44 -6.255 -2.210 7.108 306 HA ILE 44 HA ILE 44 -5.201 -2.410 4.520 307 HB ILE 44 HB ILE 44 -4.321 -2.924 7.160 308 HG12 ILE 44 2HG1 ILE 44 -2.981 -2.757 4.466 309 HG13 ILE 44 1HG1 ILE 44 -3.179 -1.483 5.664 310 HG21 ILE 44 1HG2 ILE 44 -3.691 -5.207 5.296 311 HG22 ILE 44 2HG2 ILE 44 -4.651 -5.299 6.773 312 HG23 ILE 44 3HG2 ILE 44 -2.933 -4.914 6.862 313 HD11 ILE 44 3HD1 ILE 44 -0.906 -2.215 5.663 314 HD12 ILE 44 1HD1 ILE 44 -1.400 -3.897 5.865 315 HD13 ILE 44 2HD1 ILE 44 -1.665 -2.740 7.167 316 H LYS 45 H LYS 45 -7.299 -4.539 6.318 317 HA LYS 45 HA LYS 45 -6.780 -6.918 4.891 318 HB2 LYS 45 2HB LYS 45 -8.034 -6.816 7.044 319 HB3 LYS 45 1HB LYS 45 -9.390 -6.098 6.183 320 HG2 LYS 45 2HG LYS 45 -9.892 -8.390 6.415 321 HG3 LYS 45 1HG LYS 45 -9.410 -8.164 4.734 322 HD2 LYS 45 2HD LYS 45 -7.087 -8.871 5.439 323 HD3 LYS 45 1HD LYS 45 -7.794 -9.348 6.981 324 HE2 LYS 45 2HE LYS 45 -8.530 -10.424 4.262 325 HE3 LYS 45 1HE LYS 45 -7.601 -11.263 5.500 326 HZ1 LYS 45 3HZ LYS 45 -9.881 -12.003 5.490 327 HZ2 LYS 45 1HZ LYS 45 -10.443 -10.425 5.723 328 HZ3 LYS 45 2HZ LYS 45 -9.554 -11.198 6.936 329 H LYS 46 H LYS 46 -9.211 -4.352 4.396 330 HA LYS 46 HA LYS 46 -10.254 -5.649 2.069 331 HB2 LYS 46 2HB LYS 46 -11.416 -3.448 1.653 332 HB3 LYS 46 1HB LYS 46 -11.792 -4.239 3.168 333 HG2 LYS 46 2HG LYS 46 -11.604 -1.997 3.729 334 HG3 LYS 46 1HG LYS 46 -10.055 -2.679 4.209 335 HD2 LYS 46 2HD LYS 46 -9.749 -0.533 3.102 336 HD3 LYS 46 1HD LYS 46 -9.044 -1.832 2.143 337 HE2 LYS 46 2HE LYS 46 -10.255 -0.197 0.768 338 HE3 LYS 46 1HE LYS 46 -10.944 -1.811 0.655 339 HZ1 LYS 46 3HZ LYS 46 -12.696 -1.162 2.153 340 HZ2 LYS 46 1HZ LYS 46 -12.635 -0.083 0.854 341 HZ3 LYS 46 2HZ LYS 46 -12.012 0.370 2.359 342 H VAL 47 H VAL 47 -7.629 -3.475 2.672 343 HA VAL 47 HA VAL 47 -7.210 -2.697 -0.019 344 HB VAL 47 HB VAL 47 -5.146 -2.987 2.173 345 HG11 VAL 47 1HG1 VAL 47 -3.812 -1.450 0.833 346 HG12 VAL 47 2HG1 VAL 47 -5.063 -1.432 -0.408 347 HG13 VAL 47 3HG1 VAL 47 -4.178 -2.919 -0.074 348 HG21 VAL 47 3HG2 VAL 47 -5.429 -0.553 2.439 349 HG22 VAL 47 1HG2 VAL 47 -6.900 -1.446 2.824 350 HG23 VAL 47 2HG2 VAL 47 -6.761 -0.599 1.283 351 H PHE 48 H PHE 48 -6.246 -5.451 1.915 352 HA PHE 48 HA PHE 48 -4.577 -6.757 0.113 353 HB2 PHE 48 2HB PHE 48 -6.485 -7.848 2.171 354 HB3 PHE 48 1HB PHE 48 -5.392 -8.868 1.247 355 HD1 PHE 48 2HD PHE 48 -3.201 -6.518 1.356 356 HD2 PHE 48 1HD PHE 48 -5.472 -8.695 4.222 357 HE1 PHE 48 2HE PHE 48 -1.438 -6.154 3.028 358 HE2 PHE 48 1HE PHE 48 -3.712 -8.332 5.898 359 HZ PHE 48 HZ PHE 48 -1.690 -7.063 5.300 360 H GLU 49 H GLU 49 -8.103 -6.713 0.350 361 HA GLU 49 HA GLU 49 -8.385 -8.571 -1.816 362 HB2 GLU 49 2HB GLU 49 -10.662 -8.480 -1.486 363 HB3 GLU 49 1HB GLU 49 -10.068 -8.050 0.108 364 HG2 GLU 49 2HG GLU 49 -10.541 -5.746 -0.258 365 HG3 GLU 49 1HG GLU 49 -10.934 -6.044 -1.951 366 H ILE 50 H ILE 50 -7.712 -5.237 -1.633 367 HA ILE 50 HA ILE 50 -8.878 -4.462 -4.113 368 HB ILE 50 HB ILE 50 -6.523 -3.163 -2.743 369 HG12 ILE 50 2HG1 ILE 50 -9.467 -2.488 -2.575 370 HG13 ILE 50 1HG1 ILE 50 -8.549 -3.295 -1.306 371 HG21 ILE 50 1HG2 ILE 50 -7.091 -2.678 -5.217 372 HG22 ILE 50 2HG2 ILE 50 -6.861 -1.321 -4.118 373 HG23 ILE 50 3HG2 ILE 50 -8.490 -1.826 -4.564 374 HD11 ILE 50 3HD1 ILE 50 -8.240 -0.486 -2.312 375 HD12 ILE 50 1HD1 ILE 50 -7.045 -1.278 -1.282 376 HD13 ILE 50 2HD1 ILE 50 -8.690 -1.027 -0.694 377 H ILE 51 H ILE 51 -5.527 -5.547 -3.285 378 HA ILE 51 HA ILE 51 -4.509 -5.159 -5.909 379 HB ILE 51 HB ILE 51 -2.834 -7.117 -5.250 380 HG12 ILE 51 2HG1 ILE 51 -4.450 -7.448 -3.122 381 HG13 ILE 51 1HG1 ILE 51 -2.716 -7.747 -3.022 382 HG21 ILE 51 1HG2 ILE 51 -2.236 -4.792 -5.551 383 HG22 ILE 51 2HG2 ILE 51 -1.416 -5.470 -4.143 384 HG23 ILE 51 3HG2 ILE 51 -2.807 -4.403 -3.927 385 HD11 ILE 51 3HD1 ILE 51 -4.263 -5.360 -2.038 386 HD12 ILE 51 1HD1 ILE 51 -2.506 -5.349 -2.222 387 HD13 ILE 51 2HD1 ILE 51 -3.264 -6.494 -1.124 388 H ASP 52 H ASP 52 -6.525 -7.513 -4.533 389 HA ASP 52 HA ASP 52 -6.426 -9.138 -6.966 390 HB2 ASP 52 2HB ASP 52 -6.442 -10.053 -4.482 391 HB3 ASP 52 1HB ASP 52 -8.160 -9.754 -4.605 392 H GLN 53 H GLN 53 -7.486 -7.302 -8.148 393 HA GLN 53 HA GLN 53 -9.883 -6.129 -7.333 394 HB2 GLN 53 2HB GLN 53 -10.174 -5.356 -9.592 395 HB3 GLN 53 1HB GLN 53 -8.463 -5.289 -9.200 396 HG2 GLN 53 2HG GLN 53 -8.043 -7.283 -10.478 397 HG3 GLN 53 1HG GLN 53 -9.767 -7.497 -10.773 398 HE21 GLN 53 1HE2 GLN 53 -10.822 -6.091 -12.199 399 HE22 GLN 53 2HE2 GLN 53 -9.946 -5.157 -13.361 400 H ASP 54 H ASP 54 -9.290 -9.048 -9.135 401 HA ASP 54 HA ASP 54 -12.073 -9.688 -9.531 402 HB2 ASP 54 2HB ASP 54 -10.630 -10.569 -11.165 403 HB3 ASP 54 1HB ASP 54 -9.480 -11.148 -9.968 404 H LYS 55 H LYS 55 -9.808 -10.075 -7.019 405 HA LYS 55 HA LYS 55 -9.792 -11.088 -5.015 406 HB2 LYS 55 2HB LYS 55 -11.762 -9.677 -4.739 407 HB3 LYS 55 1HB LYS 55 -12.790 -10.970 -5.343 408 HG2 LYS 55 2HG LYS 55 -12.580 -12.212 -3.412 409 HG3 LYS 55 1HG LYS 55 -11.055 -11.445 -2.961 410 HD2 LYS 55 2HD LYS 55 -12.978 -10.761 -1.539 411 HD3 LYS 55 1HD LYS 55 -12.189 -9.415 -2.359 412 HE2 LYS 55 2HE LYS 55 -13.947 -9.477 -4.088 413 HE3 LYS 55 1HE LYS 55 -14.748 -10.769 -3.196 414 HZ1 LYS 55 3HZ LYS 55 -14.194 -8.074 -2.071 415 HZ2 LYS 55 1HZ LYS 55 -15.132 -9.303 -1.375 416 HZ3 LYS 55 2HZ LYS 55 -15.667 -8.524 -2.778 417 H SER 56 H SER 56 -8.911 -12.778 -6.453 418 HA SER 56 HA SER 56 -10.450 -15.248 -6.624 419 HB2 SER 56 2HB SER 56 -7.630 -15.377 -7.359 420 HB3 SER 56 1HB SER 56 -9.052 -15.691 -8.353 421 HG SER 56 HG SER 56 -9.178 -13.562 -8.903 422 H ASP 57 H ASP 57 -8.942 -13.702 -4.259 423 HA ASP 57 HA ASP 57 -7.971 -14.203 -2.279 424 HB2 ASP 57 2HB ASP 57 -8.401 -17.036 -3.199 425 HB3 ASP 57 1HB ASP 57 -7.487 -16.678 -1.737 426 H PHE 58 H PHE 58 -6.794 -14.367 -5.175 427 HA PHE 58 HA PHE 58 -4.038 -14.264 -4.311 428 HB2 PHE 58 2HB PHE 58 -4.997 -16.169 -6.463 429 HB3 PHE 58 1HB PHE 58 -3.318 -15.676 -6.285 430 HD1 PHE 58 1HD PHE 58 -2.086 -16.268 -4.195 431 HD2 PHE 58 2HD PHE 58 -5.920 -17.873 -5.119 432 HE1 PHE 58 1HE PHE 58 -1.721 -18.070 -2.562 433 HE2 PHE 58 2HE PHE 58 -5.560 -19.676 -3.484 434 HZ PHE 58 HZ PHE 58 -3.461 -19.776 -2.205 435 H VAL 59 H VAL 59 -3.041 -12.623 -5.311 436 HA VAL 59 HA VAL 59 -4.671 -11.138 -7.191 437 HB VAL 59 HB VAL 59 -3.583 -9.237 -6.568 438 HG11 VAL 59 1HG1 VAL 59 -4.529 -10.186 -4.557 439 HG12 VAL 59 2HG1 VAL 59 -3.082 -9.253 -4.189 440 HG13 VAL 59 3HG1 VAL 59 -3.011 -11.013 -4.219 441 HG21 VAL 59 3HG2 VAL 59 -1.320 -8.996 -5.886 442 HG22 VAL 59 1HG2 VAL 59 -1.400 -9.900 -7.395 443 HG23 VAL 59 2HG2 VAL 59 -1.105 -10.746 -5.871 444 H GLU 60 H GLU 60 -4.363 -11.106 -9.239 445 HA GLU 60 HA GLU 60 -2.001 -12.351 -10.413 446 HB2 GLU 60 2HB GLU 60 -4.676 -11.492 -11.515 447 HB3 GLU 60 1HB GLU 60 -3.357 -11.990 -12.560 448 HG2 GLU 60 2HG GLU 60 -4.986 -13.785 -12.141 449 HG3 GLU 60 1HG GLU 60 -3.361 -14.198 -11.616 450 H GLU 61 H GLU 61 -0.962 -11.162 -12.327 451 HA GLU 61 HA GLU 61 -0.216 -8.577 -11.389 452 HB2 GLU 61 2HB GLU 61 1.304 -10.124 -12.663 453 HB3 GLU 61 1HB GLU 61 0.393 -9.714 -14.113 454 HG2 GLU 61 2HG GLU 61 0.957 -7.337 -13.749 455 HG3 GLU 61 1HG GLU 61 1.954 -7.813 -12.379 456 H ASP 62 H ASP 62 -2.262 -9.704 -14.045 457 HA ASP 62 HA ASP 62 -2.773 -7.143 -15.139 458 HB2 ASP 62 2HB ASP 62 -4.620 -8.170 -16.320 459 HB3 ASP 62 1HB ASP 62 -3.253 -9.277 -16.331 460 H GLU 63 H GLU 63 -4.077 -8.895 -12.448 461 HA GLU 63 HA GLU 63 -6.301 -7.184 -11.950 462 HB2 GLU 63 2HB GLU 63 -4.741 -9.068 -10.191 463 HB3 GLU 63 1HB GLU 63 -6.118 -8.143 -9.610 464 HG2 GLU 63 2HG GLU 63 -7.573 -9.257 -11.177 465 HG3 GLU 63 1HG GLU 63 -6.200 -10.125 -11.870 466 H LEU 64 H LEU 64 -2.979 -7.365 -10.745 467 HA LEU 64 HA LEU 64 -3.236 -5.223 -8.935 468 HB2 LEU 64 2HB LEU 64 -1.387 -7.100 -9.256 469 HB3 LEU 64 1HB LEU 64 -0.589 -5.794 -10.117 470 HG LEU 64 HG LEU 64 -1.670 -4.904 -7.578 471 HD11 LEU 64 1HD1 LEU 64 0.359 -7.121 -7.547 472 HD12 LEU 64 2HD1 LEU 64 -1.283 -7.188 -6.909 473 HD13 LEU 64 3HD1 LEU 64 -0.093 -6.120 -6.167 474 HD21 LEU 64 3HD2 LEU 64 -0.087 -3.570 -8.759 475 HD22 LEU 64 1HD2 LEU 64 1.062 -4.907 -8.845 476 HD23 LEU 64 2HD2 LEU 64 0.698 -4.159 -7.291 477 H LYS 65 H LYS 65 -2.796 -5.372 -12.333 478 HA LYS 65 HA LYS 65 -1.746 -2.809 -12.794 479 HB2 LYS 65 2HB LYS 65 -3.013 -4.896 -14.352 480 HB3 LYS 65 1HB LYS 65 -3.579 -3.311 -14.858 481 HG2 LYS 65 2HG LYS 65 -1.684 -4.021 -16.185 482 HG3 LYS 65 1HG LYS 65 -1.268 -2.603 -15.222 483 HD2 LYS 65 2HD LYS 65 -0.032 -3.913 -13.676 484 HD3 LYS 65 1HD LYS 65 -0.640 -5.423 -14.367 485 HE2 LYS 65 2HE LYS 65 0.486 -4.730 -16.517 486 HE3 LYS 65 1HE LYS 65 1.276 -3.453 -15.596 487 HZ1 LYS 65 3HZ LYS 65 2.127 -5.268 -14.119 488 HZ2 LYS 65 1HZ LYS 65 2.752 -5.277 -15.689 489 HZ3 LYS 65 2HZ LYS 65 1.552 -6.384 -15.253 490 H LEU 66 H LEU 66 -5.104 -3.949 -12.639 491 HA LEU 66 HA LEU 66 -5.969 -1.156 -12.671 492 HB2 LEU 66 2HB LEU 66 -7.638 -3.626 -13.090 493 HB3 LEU 66 1HB LEU 66 -8.124 -1.962 -13.374 494 HG LEU 66 HG LEU 66 -6.062 -3.534 -14.916 495 HD11 LEU 66 1HD1 LEU 66 -7.564 -3.181 -16.797 496 HD12 LEU 66 2HD1 LEU 66 -8.702 -2.344 -15.741 497 HD13 LEU 66 3HD1 LEU 66 -8.362 -4.058 -15.493 498 HD21 LEU 66 3HD2 LEU 66 -5.343 -1.196 -14.577 499 HD22 LEU 66 1HD2 LEU 66 -6.866 -0.650 -15.283 500 HD23 LEU 66 2HD2 LEU 66 -5.719 -1.557 -16.265 501 H PHE 67 H PHE 67 -5.166 -3.275 -10.392 502 HA PHE 67 HA PHE 67 -7.293 -3.299 -8.565 503 HB2 PHE 67 2HB PHE 67 -5.803 -4.212 -7.122 504 HB3 PHE 67 1HB PHE 67 -4.747 -4.266 -8.521 505 HD1 PHE 67 2HD PHE 67 -3.013 -2.464 -8.802 506 HD2 PHE 67 1HD PHE 67 -5.273 -2.911 -5.232 507 HE1 PHE 67 2HE PHE 67 -1.350 -1.125 -7.585 508 HE2 PHE 67 1HE PHE 67 -3.619 -1.570 -4.008 509 HZ PHE 67 HZ PHE 67 -1.651 -0.674 -5.183 510 H LEU 68 H LEU 68 -5.102 -0.841 -9.579 511 HA LEU 68 HA LEU 68 -5.379 1.028 -7.512 512 HB2 LEU 68 2HB LEU 68 -4.980 1.573 -10.452 513 HB3 LEU 68 1HB LEU 68 -4.570 2.646 -9.126 514 HG LEU 68 HG LEU 68 -3.288 -0.016 -9.071 515 HD11 LEU 68 1HD1 LEU 68 -1.615 0.606 -10.717 516 HD12 LEU 68 2HD1 LEU 68 -2.498 2.090 -11.076 517 HD13 LEU 68 3HD1 LEU 68 -3.216 0.519 -11.459 518 HD21 LEU 68 3HD2 LEU 68 -2.302 2.807 -8.648 519 HD22 LEU 68 1HD2 LEU 68 -1.375 1.333 -8.353 520 HD23 LEU 68 2HD2 LEU 68 -2.810 1.682 -7.388 521 H GLN 69 H GLN 69 -7.195 0.551 -10.508 522 HA GLN 69 HA GLN 69 -9.016 2.693 -9.993 523 HB2 GLN 69 2HB GLN 69 -9.342 0.323 -11.844 524 HB3 GLN 69 1HB GLN 69 -10.304 1.794 -11.868 525 HG2 GLN 69 2HG GLN 69 -8.211 3.057 -12.377 526 HG3 GLN 69 1HG GLN 69 -7.390 1.504 -12.546 527 HE21 GLN 69 1HE2 GLN 69 -7.962 0.145 -14.262 528 HE22 GLN 69 2HE2 GLN 69 -8.769 0.748 -15.667 529 H ASN 70 H ASN 70 -8.622 -0.441 -8.831 530 HA ASN 70 HA ASN 70 -11.388 -0.901 -8.116 531 HB2 ASN 70 2HB ASN 70 -9.842 -2.783 -8.561 532 HB3 ASN 70 1HB ASN 70 -8.852 -2.289 -7.196 533 HD21 ASN 70 1HD2 ASN 70 -9.117 -4.306 -6.231 534 HD22 ASN 70 2HD2 ASN 70 -10.599 -4.758 -5.460 535 H PHE 71 H PHE 71 -8.572 0.585 -6.799 536 HA PHE 71 HA PHE 71 -9.716 0.917 -4.149 537 HB2 PHE 71 2HB PHE 71 -7.224 0.539 -4.683 538 HB3 PHE 71 1HB PHE 71 -7.207 2.206 -5.230 539 HD1 PHE 71 2HD PHE 71 -9.471 2.076 -2.577 540 HD2 PHE 71 1HD PHE 71 -5.297 1.954 -3.400 541 HE1 PHE 71 2HE PHE 71 -9.000 2.798 -0.278 542 HE2 PHE 71 1HE PHE 71 -4.819 2.677 -1.099 543 HZ PHE 71 HZ PHE 71 -6.672 3.101 0.466 544 H SER 72 H SER 72 -8.725 2.897 -6.918 545 HA SER 72 HA SER 72 -10.836 4.815 -6.338 546 HB2 SER 72 2HB SER 72 -7.912 5.578 -6.553 547 HB3 SER 72 1HB SER 72 -9.246 6.730 -6.602 548 HG SER 72 HG SER 72 -9.023 4.910 -4.467 549 H ALA 73 H ALA 73 -11.789 5.474 -8.163 550 HA ALA 73 HA ALA 73 -11.182 4.114 -10.562 551 HB1 ALA 73 1HB ALA 73 -13.455 4.702 -9.902 552 HB2 ALA 73 2HB ALA 73 -13.068 5.322 -11.506 553 HB3 ALA 73 3HB ALA 73 -13.078 6.410 -10.119 554 H GLY 74 H GLY 74 -10.167 7.199 -9.375 555 HA2 GLY 74 2HA GLY 74 -9.403 8.078 -12.066 556 HA3 GLY 74 1HA GLY 74 -9.378 9.067 -10.616 557 H ALA 75 H ALA 75 -7.933 5.901 -11.378 558 HA ALA 75 HA ALA 75 -5.313 7.064 -10.696 559 HB1 ALA 75 1HB ALA 75 -6.269 4.271 -10.084 560 HB2 ALA 75 2HB ALA 75 -6.100 5.588 -8.919 561 HB3 ALA 75 3HB ALA 75 -4.673 4.930 -9.718 562 H ARG 76 H ARG 76 -3.506 6.266 -11.812 563 HA ARG 76 HA ARG 76 -4.108 5.166 -14.432 564 HB2 ARG 76 2HB ARG 76 -1.506 6.318 -13.409 565 HB3 ARG 76 1HB ARG 76 -1.868 5.889 -15.073 566 HG2 ARG 76 2HG ARG 76 -2.214 8.127 -15.196 567 HG3 ARG 76 1HG ARG 76 -3.833 7.620 -14.712 568 HD2 ARG 76 2HD ARG 76 -3.291 8.104 -12.378 569 HD3 ARG 76 1HD ARG 76 -1.668 8.603 -12.856 570 HE ARG 76 HE ARG 76 -3.954 9.999 -14.034 571 HH11 ARG 76 1HH1 ARG 76 -1.273 10.028 -11.771 572 HH12 ARG 76 2HH1 ARG 76 -1.274 11.755 -11.611 573 HH21 ARG 76 1HH2 ARG 76 -3.953 12.270 -13.803 574 HH22 ARG 76 2HH2 ARG 76 -2.787 13.027 -12.760 575 H ALA 77 H ALA 77 -3.398 3.198 -15.103 576 HA ALA 77 HA ALA 77 -2.418 1.373 -13.114 577 HB1 ALA 77 1HB ALA 77 -2.624 -0.326 -14.826 578 HB2 ALA 77 2HB ALA 77 -2.860 0.916 -16.059 579 HB3 ALA 77 3HB ALA 77 -4.071 0.684 -14.798 580 H LEU 78 H LEU 78 -0.374 0.928 -12.678 581 HA LEU 78 HA LEU 78 1.763 2.008 -14.254 582 HB2 LEU 78 2HB LEU 78 1.873 0.055 -11.949 583 HB3 LEU 78 1HB LEU 78 3.253 0.867 -12.656 584 HG LEU 78 HG LEU 78 2.909 2.113 -10.760 585 HD11 LEU 78 1HD1 LEU 78 2.905 3.606 -12.681 586 HD12 LEU 78 2HD1 LEU 78 1.924 4.249 -11.364 587 HD13 LEU 78 3HD1 LEU 78 1.146 3.509 -12.763 588 HD21 LEU 78 3HD2 LEU 78 0.755 2.695 -9.814 589 HD22 LEU 78 1HD2 LEU 78 0.891 0.952 -10.042 590 HD23 LEU 78 2HD2 LEU 78 -0.066 1.919 -11.167 591 H SER 79 H SER 79 3.347 0.830 -15.387 592 HA SER 79 HA SER 79 2.834 -2.009 -15.856 593 HB2 SER 79 2HB SER 79 2.987 0.028 -18.090 594 HB3 SER 79 1HB SER 79 2.916 -1.720 -18.306 595 HG SER 79 HG SER 79 0.933 -0.458 -16.775 596 H ASP 80 H ASP 80 4.621 -3.181 -16.483 597 HA ASP 80 HA ASP 80 6.784 -3.735 -16.833 598 HB2 ASP 80 2HB ASP 80 7.046 -0.828 -17.590 599 HB3 ASP 80 1HB ASP 80 8.392 -1.961 -17.653 600 H ALA 81 H ALA 81 8.600 -1.097 -16.094 601 HA ALA 81 HA ALA 81 9.764 -2.524 -13.984 602 HB1 ALA 81 1HB ALA 81 11.014 -1.017 -15.453 603 HB2 ALA 81 2HB ALA 81 11.269 -0.629 -13.751 604 HB3 ALA 81 3HB ALA 81 10.191 0.365 -14.729 605 H GLU 82 H GLU 82 7.375 -0.013 -13.971 606 HA GLU 82 HA GLU 82 7.754 0.780 -11.256 607 HB2 GLU 82 2HB GLU 82 5.262 1.652 -11.761 608 HB3 GLU 82 1HB GLU 82 6.705 2.507 -12.286 609 HG2 GLU 82 2HG GLU 82 6.531 1.411 -14.474 610 HG3 GLU 82 1HG GLU 82 5.055 0.612 -13.944 611 H THR 83 H THR 83 5.542 -1.397 -12.949 612 HA THR 83 HA THR 83 4.229 -2.245 -10.556 613 HB THR 83 HB THR 83 4.427 -3.974 -12.999 614 HG1 THR 83 1HG THR 83 2.466 -1.966 -12.880 615 HG21 THR 83 3HG2 THR 83 2.183 -3.342 -11.081 616 HG22 THR 83 1HG2 THR 83 3.170 -4.803 -11.077 617 HG23 THR 83 2HG2 THR 83 2.092 -4.472 -12.432 618 H LYS 84 H LYS 84 6.993 -3.300 -12.454 619 HA LYS 84 HA LYS 84 7.478 -5.793 -11.337 620 HB2 LYS 84 2HB LYS 84 8.635 -4.749 -13.314 621 HB3 LYS 84 1HB LYS 84 9.585 -3.800 -12.181 622 HG2 LYS 84 2HG LYS 84 10.942 -5.610 -12.793 623 HG3 LYS 84 1HG LYS 84 10.339 -5.997 -11.181 624 HD2 LYS 84 2HD LYS 84 8.605 -7.417 -12.188 625 HD3 LYS 84 1HD LYS 84 9.242 -7.045 -13.790 626 HE2 LYS 84 2HE LYS 84 11.396 -8.042 -13.136 627 HE3 LYS 84 1HE LYS 84 10.710 -8.459 -11.566 628 HZ1 LYS 84 3HZ LYS 84 9.765 -9.459 -14.196 629 HZ2 LYS 84 1HZ LYS 84 9.088 -9.851 -12.697 630 HZ3 LYS 84 2HZ LYS 84 10.663 -10.339 -13.067 631 H VAL 85 H VAL 85 9.013 -2.710 -10.407 632 HA VAL 85 HA VAL 85 10.353 -3.788 -8.161 633 HB VAL 85 HB VAL 85 9.645 -0.899 -8.717 634 HG11 VAL 85 1HG1 VAL 85 11.518 -0.357 -7.250 635 HG12 VAL 85 2HG1 VAL 85 11.772 -2.071 -6.926 636 HG13 VAL 85 3HG1 VAL 85 10.289 -1.282 -6.388 637 HG21 VAL 85 3HG2 VAL 85 10.901 -1.897 -10.550 638 HG22 VAL 85 1HG2 VAL 85 12.122 -2.471 -9.416 639 HG23 VAL 85 2HG2 VAL 85 11.896 -0.741 -9.666 640 H PHE 86 H PHE 86 7.275 -2.091 -8.525 641 HA PHE 86 HA PHE 86 6.754 -1.799 -5.764 642 HB2 PHE 86 2HB PHE 86 5.571 -0.393 -7.253 643 HB3 PHE 86 1HB PHE 86 4.987 -1.748 -8.205 644 HD1 PHE 86 1HD PHE 86 4.876 -0.645 -4.634 645 HD2 PHE 86 2HD PHE 86 2.746 -2.194 -7.975 646 HE1 PHE 86 1HE PHE 86 2.805 -0.638 -3.309 647 HE2 PHE 86 2HE PHE 86 0.669 -2.189 -6.653 648 HZ PHE 86 HZ PHE 86 0.697 -1.411 -4.318 649 H LEU 87 H LEU 87 5.944 -4.360 -8.081 650 HA LEU 87 HA LEU 87 4.443 -5.949 -6.300 651 HB2 LEU 87 2HB LEU 87 6.102 -6.661 -8.710 652 HB3 LEU 87 1HB LEU 87 5.209 -7.861 -7.799 653 HG LEU 87 HG LEU 87 3.942 -5.483 -9.159 654 HD11 LEU 87 1HD1 LEU 87 3.166 -7.095 -10.830 655 HD12 LEU 87 2HD1 LEU 87 4.131 -8.352 -10.059 656 HD13 LEU 87 3HD1 LEU 87 4.924 -6.968 -10.811 657 HD21 LEU 87 3HD2 LEU 87 2.801 -7.934 -7.829 658 HD22 LEU 87 1HD2 LEU 87 1.870 -6.832 -8.842 659 HD23 LEU 87 2HD2 LEU 87 2.589 -6.253 -7.342 660 H LYS 88 H LYS 88 7.899 -5.919 -7.097 661 HA LYS 88 HA LYS 88 8.577 -8.109 -5.456 662 HB2 LYS 88 2HB LYS 88 10.226 -5.899 -6.660 663 HB3 LYS 88 1HB LYS 88 10.931 -7.194 -5.693 664 HG2 LYS 88 2HG LYS 88 9.227 -7.737 -8.098 665 HG3 LYS 88 1HG LYS 88 10.979 -7.522 -8.186 666 HD2 LYS 88 2HD LYS 88 11.328 -9.357 -6.673 667 HD3 LYS 88 1HD LYS 88 9.593 -9.529 -6.416 668 HE2 LYS 88 2HE LYS 88 10.855 -9.816 -9.128 669 HE3 LYS 88 1HE LYS 88 10.672 -11.174 -8.021 670 HZ1 LYS 88 3HZ LYS 88 8.841 -11.004 -9.619 671 HZ2 LYS 88 1HZ LYS 88 8.448 -9.479 -9.011 672 HZ3 LYS 88 2HZ LYS 88 8.293 -10.846 -8.022 673 H ALA 89 H ALA 89 7.908 -4.846 -4.673 674 HA ALA 89 HA ALA 89 9.298 -4.569 -2.259 675 HB1 ALA 89 1HB ALA 89 7.567 -2.969 -1.627 676 HB2 ALA 89 2HB ALA 89 6.540 -3.551 -2.937 677 HB3 ALA 89 3HB ALA 89 8.059 -2.733 -3.304 678 H GLY 90 H GLY 90 6.364 -6.270 -3.094 679 HA2 GLY 90 2HA GLY 90 6.171 -7.280 -0.330 680 HA3 GLY 90 1HA GLY 90 4.863 -7.300 -1.507 681 H ASP 91 H ASP 91 5.864 -8.368 -3.692 682 HA ASP 91 HA ASP 91 5.927 -11.137 -3.220 683 HB2 ASP 91 2HB ASP 91 5.235 -10.162 -5.354 684 HB3 ASP 91 1HB ASP 91 6.880 -9.593 -5.640 685 H SER 92 H SER 92 7.562 -11.970 -1.986 686 HA SER 92 HA SER 92 10.285 -11.007 -2.457 687 HB2 SER 92 2HB SER 92 9.345 -11.071 -0.134 688 HB3 SER 92 1HB SER 92 9.280 -12.827 -0.261 689 HG SER 92 HG SER 92 11.441 -12.937 -0.219 690 H ASP 93 H ASP 93 8.245 -13.716 -3.004 691 HA ASP 93 HA ASP 93 10.448 -15.575 -3.308 692 HB2 ASP 93 2HB ASP 93 8.780 -17.274 -3.681 693 HB3 ASP 93 1HB ASP 93 8.301 -16.295 -2.301 694 H GLY 94 H GLY 94 8.875 -13.353 -5.303 695 HA2 GLY 94 2HA GLY 94 9.614 -12.721 -7.403 696 HA3 GLY 94 1HA GLY 94 10.608 -14.162 -7.460 697 H ASP 95 H ASP 95 7.089 -13.562 -7.267 698 HA ASP 95 HA ASP 95 6.782 -15.473 -9.491 699 HB2 ASP 95 2HB ASP 95 4.389 -15.661 -8.663 700 HB3 ASP 95 1HB ASP 95 5.624 -16.325 -7.600 701 H GLY 96 H GLY 96 6.221 -12.212 -8.497 702 HA2 GLY 96 2HA GLY 96 5.822 -10.449 -10.022 703 HA3 GLY 96 1HA GLY 96 5.203 -11.616 -11.179 704 H LYS 97 H LYS 97 4.121 -11.742 -7.909 705 HA LYS 97 HA LYS 97 1.652 -10.229 -8.513 706 HB2 LYS 97 2HB LYS 97 0.272 -11.971 -7.853 707 HB3 LYS 97 1HB LYS 97 1.551 -12.873 -8.652 708 HG2 LYS 97 2HG LYS 97 2.593 -12.945 -6.224 709 HG3 LYS 97 1HG LYS 97 0.914 -12.642 -5.751 710 HD2 LYS 97 2HD LYS 97 1.799 -14.898 -7.547 711 HD3 LYS 97 1HD LYS 97 1.468 -15.054 -5.824 712 HE2 LYS 97 2HE LYS 97 -0.842 -14.404 -6.182 713 HE3 LYS 97 1HE LYS 97 -0.523 -14.139 -7.896 714 HZ1 LYS 97 3HZ LYS 97 -0.346 -16.741 -6.476 715 HZ2 LYS 97 1HZ LYS 97 0.002 -16.494 -8.111 716 HZ3 LYS 97 2HZ LYS 97 -1.572 -16.272 -7.543 717 H ILE 98 H ILE 98 0.431 -9.928 -6.335 718 HA ILE 98 HA ILE 98 2.452 -9.571 -4.227 719 HB ILE 98 HB ILE 98 -0.110 -8.110 -4.759 720 HG12 ILE 98 2HG1 ILE 98 1.854 -7.199 -5.821 721 HG13 ILE 98 1HG1 ILE 98 1.378 -6.138 -4.499 722 HG21 ILE 98 1HG2 ILE 98 -0.006 -7.059 -2.629 723 HG22 ILE 98 2HG2 ILE 98 1.473 -7.927 -2.220 724 HG23 ILE 98 3HG2 ILE 98 -0.048 -8.804 -2.388 725 HD11 ILE 98 3HD1 ILE 98 3.735 -6.340 -4.444 726 HD12 ILE 98 1HD1 ILE 98 3.653 -8.098 -4.555 727 HD13 ILE 98 2HD1 ILE 98 3.101 -7.280 -3.094 728 H GLY 99 H GLY 99 2.438 -11.401 -3.057 729 HA2 GLY 99 2HA GLY 99 0.157 -12.825 -2.278 730 HA3 GLY 99 1HA GLY 99 1.648 -12.712 -1.337 731 H VAL 100 H VAL 100 -1.354 -12.444 -0.730 732 HA VAL 100 HA VAL 100 -1.930 -9.808 -0.059 733 HB VAL 100 HB VAL 100 -2.895 -12.450 0.948 734 HG11 VAL 100 1HG1 VAL 100 -3.113 -11.055 2.883 735 HG12 VAL 100 2HG1 VAL 100 -4.707 -11.242 2.150 736 HG13 VAL 100 3HG1 VAL 100 -3.797 -9.750 1.917 737 HG21 VAL 100 3HG2 VAL 100 -3.521 -11.697 -1.305 738 HG22 VAL 100 1HG2 VAL 100 -4.227 -10.238 -0.608 739 HG23 VAL 100 2HG2 VAL 100 -4.924 -11.815 -0.237 740 H ASP 101 H ASP 101 -0.275 -12.316 1.780 741 HA ASP 101 HA ASP 101 0.160 -10.704 4.097 742 HB2 ASP 101 2HB ASP 101 1.588 -12.494 4.848 743 HB3 ASP 101 1HB ASP 101 0.176 -13.207 4.070 744 H GLU 102 H GLU 102 1.903 -11.347 1.123 745 HA GLU 102 HA GLU 102 4.353 -10.112 1.687 746 HB2 GLU 102 2HB GLU 102 2.859 -10.133 -0.962 747 HB3 GLU 102 1HB GLU 102 4.578 -9.827 -0.743 748 HG2 GLU 102 2HG GLU 102 3.305 -12.426 0.059 749 HG3 GLU 102 1HG GLU 102 3.902 -12.124 -1.571 750 H PHE 103 H PHE 103 1.268 -8.808 0.587 751 HA PHE 103 HA PHE 103 2.145 -6.197 -0.008 752 HB2 PHE 103 2HB PHE 103 -0.067 -7.328 -0.656 753 HB3 PHE 103 1HB PHE 103 -0.631 -6.860 0.944 754 HD1 PHE 103 1HD PHE 103 0.980 -5.388 -2.074 755 HD2 PHE 103 2HD PHE 103 -1.674 -4.819 1.201 756 HE1 PHE 103 1HE PHE 103 0.389 -3.172 -2.951 757 HE2 PHE 103 2HE PHE 103 -2.265 -2.597 0.327 758 HZ PHE 103 HZ PHE 103 -1.239 -1.772 -1.748 759 H GLY 104 H GLY 104 0.480 -7.483 2.872 760 HA2 GLY 104 2HA GLY 104 0.386 -5.140 4.366 761 HA3 GLY 104 1HA GLY 104 0.496 -6.752 5.059 762 H ALA 105 H ALA 105 3.021 -7.432 3.994 763 HA ALA 105 HA ALA 105 4.702 -6.260 5.963 764 HB1 ALA 105 1HB ALA 105 4.975 -8.571 5.246 765 HB2 ALA 105 2HB ALA 105 6.460 -7.658 4.977 766 HB3 ALA 105 3HB ALA 105 5.397 -8.034 3.620 767 H MET 106 H MET 106 4.251 -5.659 2.498 768 HA MET 106 HA MET 106 6.649 -4.103 2.264 769 HB2 MET 106 2HB MET 106 6.156 -3.841 0.049 770 HB3 MET 106 1HB MET 106 5.151 -5.244 0.378 771 HG2 MET 106 2HG MET 106 3.201 -4.047 0.272 772 HG3 MET 106 1HG MET 106 3.979 -2.534 0.721 773 HE1 MET 106 3HE MET 106 2.791 -4.844 -2.068 774 HE2 MET 106 1HE MET 106 4.505 -5.227 -2.205 775 HE3 MET 106 2HE MET 106 3.693 -4.335 -3.493 776 H ILE 107 H ILE 107 3.432 -3.484 3.296 777 HA ILE 107 HA ILE 107 3.410 -0.656 2.812 778 HB ILE 107 HB ILE 107 1.702 -2.337 4.663 779 HG12 ILE 107 2HG1 ILE 107 1.096 -1.342 1.873 780 HG13 ILE 107 1HG1 ILE 107 1.584 -2.989 2.263 781 HG21 ILE 107 1HG2 ILE 107 1.204 0.428 3.582 782 HG22 ILE 107 2HG2 ILE 107 1.705 0.052 5.229 783 HG23 ILE 107 3HG2 ILE 107 0.135 -0.492 4.640 784 HD11 ILE 107 3HD1 ILE 107 -0.899 -1.614 3.254 785 HD12 ILE 107 1HD1 ILE 107 -0.417 -3.271 3.610 786 HD13 ILE 107 2HD1 ILE 107 -0.820 -2.807 1.958 787 H LYS 108 H LYS 108 3.931 -2.806 5.496 788 HA LYS 108 HA LYS 108 4.529 -0.681 7.350 789 HB2 LYS 108 2HB LYS 108 3.385 -2.539 8.232 790 HB3 LYS 108 1HB LYS 108 4.479 -3.695 7.481 791 HG2 LYS 108 2HG LYS 108 5.432 -1.811 9.617 792 HG3 LYS 108 1HG LYS 108 4.597 -3.308 10.028 793 HD2 LYS 108 2HD LYS 108 7.130 -3.081 8.400 794 HD3 LYS 108 1HD LYS 108 7.026 -3.591 10.084 795 HE2 LYS 108 2HE LYS 108 5.734 -5.540 9.446 796 HE3 LYS 108 1HE LYS 108 5.716 -5.011 7.766 797 HZ1 LYS 108 3HZ LYS 108 8.144 -5.210 7.738 798 HZ2 LYS 108 1HZ LYS 108 7.383 -6.687 8.080 799 HZ3 LYS 108 2HZ LYS 108 8.108 -5.807 9.326 800 H ALA 109 H ALA 109 6.214 -2.805 5.215 801 HA ALA 109 HA ALA 109 8.352 -2.971 4.527 802 HB1 ALA 109 1HB ALA 109 8.753 -0.340 5.943 803 HB2 ALA 109 2HB ALA 109 8.194 -0.538 4.282 804 HB3 ALA 109 3HB ALA 109 9.819 -1.050 4.733 Start of MODEL 8 1 H1 MET 1 1HT MET 1 -18.243 2.300 -1.255 2 H2 MET 1 2HT MET 1 -18.909 0.760 -1.077 3 H3 MET 1 3HT MET 1 -19.770 1.959 -1.894 4 HA MET 1 HA MET 1 -18.812 0.380 -3.429 5 HB2 MET 1 2HB MET 1 -17.501 3.106 -3.512 6 HB3 MET 1 1HB MET 1 -17.576 1.986 -4.863 7 HG2 MET 1 2HG MET 1 -20.030 2.128 -4.816 8 HG3 MET 1 1HG MET 1 -19.917 3.298 -3.503 9 HE1 MET 1 2HE MET 1 -18.752 5.699 -3.773 10 HE2 MET 1 3HE MET 1 -18.058 6.277 -5.286 11 HE3 MET 1 1HE MET 1 -17.303 4.937 -4.425 12 H ALA 2 H ALA 2 -16.044 2.386 -2.408 13 HA ALA 2 HA ALA 2 -14.536 0.041 -1.650 14 HB1 ALA 2 1HB ALA 2 -13.673 1.654 -4.049 15 HB2 ALA 2 2HB ALA 2 -14.290 0.002 -4.080 16 HB3 ALA 2 3HB ALA 2 -12.755 0.356 -3.289 17 H PHE 3 H PHE 3 -15.385 2.997 -0.915 18 HA PHE 3 HA PHE 3 -12.697 3.916 -0.145 19 HB2 PHE 3 2HB PHE 3 -15.218 5.553 -0.488 20 HB3 PHE 3 1HB PHE 3 -13.640 6.181 -0.033 21 HD1 PHE 3 2HD PHE 3 -11.704 5.543 -1.734 22 HD2 PHE 3 1HD PHE 3 -15.845 5.713 -2.686 23 HE1 PHE 3 2HE PHE 3 -11.139 5.853 -4.107 24 HE2 PHE 3 1HE PHE 3 -15.290 6.024 -5.062 25 HZ PHE 3 HZ PHE 3 -12.934 6.096 -5.776 26 H ALA 4 H ALA 4 -15.907 4.804 1.094 27 HA ALA 4 HA ALA 4 -16.814 4.789 3.174 28 HB1 ALA 4 1HB ALA 4 -16.480 2.828 4.549 29 HB2 ALA 4 2HB ALA 4 -15.045 2.390 3.623 30 HB3 ALA 4 3HB ALA 4 -16.633 2.356 2.857 31 H GLY 5 H GLY 5 -14.245 6.256 2.700 32 HA2 GLY 5 2HA GLY 5 -12.956 7.682 3.964 33 HA3 GLY 5 1HA GLY 5 -13.857 7.149 5.377 34 H ILE 6 H ILE 6 -12.739 4.377 4.057 35 HA ILE 6 HA ILE 6 -10.708 3.960 5.980 36 HB ILE 6 HB ILE 6 -11.337 2.453 3.432 37 HG12 ILE 6 2HG1 ILE 6 -13.121 2.419 5.121 38 HG13 ILE 6 1HG1 ILE 6 -12.393 0.829 4.929 39 HG21 ILE 6 1HG2 ILE 6 -10.000 0.612 4.378 40 HG22 ILE 6 2HG2 ILE 6 -9.490 1.680 5.685 41 HG23 ILE 6 3HG2 ILE 6 -9.028 2.040 4.023 42 HD11 ILE 6 3HD1 ILE 6 -12.786 1.262 7.255 43 HD12 ILE 6 1HD1 ILE 6 -11.893 2.778 7.164 44 HD13 ILE 6 2HD1 ILE 6 -11.048 1.245 6.957 45 H LEU 7 H LEU 7 -10.739 5.107 2.710 46 HA LEU 7 HA LEU 7 -8.046 6.083 3.083 47 HB2 LEU 7 2HB LEU 7 -7.242 5.335 0.916 48 HB3 LEU 7 1HB LEU 7 -7.654 3.978 1.928 49 HG LEU 7 HG LEU 7 -8.271 3.414 -0.278 50 HD11 LEU 7 1HD1 LEU 7 -10.794 4.218 1.134 51 HD12 LEU 7 2HD1 LEU 7 -9.900 2.717 1.364 52 HD13 LEU 7 3HD1 LEU 7 -10.664 3.059 -0.188 53 HD21 LEU 7 3HD2 LEU 7 -8.270 5.584 -1.310 54 HD22 LEU 7 1HD2 LEU 7 -9.753 6.024 -0.463 55 HD23 LEU 7 2HD2 LEU 7 -9.775 4.745 -1.676 56 H ASN 8 H ASN 8 -7.623 7.986 1.964 57 HA ASN 8 HA ASN 8 -10.036 9.299 0.968 58 HB2 ASN 8 2HB ASN 8 -7.294 10.436 1.565 59 HB3 ASN 8 1HB ASN 8 -8.705 11.372 1.091 60 HD21 ASN 8 1HD2 ASN 8 -10.491 9.670 2.734 61 HD22 ASN 8 2HD2 ASN 8 -10.212 10.169 4.366 62 H ASP 9 H ASP 9 -10.429 9.060 -1.091 63 HA ASP 9 HA ASP 9 -8.754 8.015 -3.023 64 HB2 ASP 9 2HB ASP 9 -10.425 8.574 -4.609 65 HB3 ASP 9 1HB ASP 9 -11.277 8.314 -3.094 66 H ALA 10 H ALA 10 -9.309 11.352 -2.148 67 HA ALA 10 HA ALA 10 -7.849 12.589 -4.204 68 HB1 ALA 10 1HB ALA 10 -7.773 14.531 -2.711 69 HB2 ALA 10 2HB ALA 10 -8.311 13.518 -1.369 70 HB3 ALA 10 3HB ALA 10 -9.379 13.801 -2.745 71 H ASP 11 H ASP 11 -6.818 11.297 -1.068 72 HA ASP 11 HA ASP 11 -4.185 12.380 -1.178 73 HB2 ASP 11 2HB ASP 11 -5.662 11.206 0.795 74 HB3 ASP 11 1HB ASP 11 -4.564 9.901 0.374 75 H ILE 12 H ILE 12 -5.559 9.211 -1.818 76 HA ILE 12 HA ILE 12 -3.301 7.865 -2.713 77 HB ILE 12 HB ILE 12 -6.215 7.663 -3.349 78 HG12 ILE 12 2HG1 ILE 12 -5.791 5.312 -2.454 79 HG13 ILE 12 1HG1 ILE 12 -4.186 5.878 -2.013 80 HG21 ILE 12 1HG2 ILE 12 -4.099 5.972 -4.677 81 HG22 ILE 12 2HG2 ILE 12 -5.124 7.163 -5.475 82 HG23 ILE 12 3HG2 ILE 12 -5.839 5.711 -4.774 83 HD11 ILE 12 3HD1 ILE 12 -5.641 5.955 -0.108 84 HD12 ILE 12 1HD1 ILE 12 -6.806 6.939 -0.994 85 HD13 ILE 12 2HD1 ILE 12 -5.221 7.598 -0.595 86 H THR 13 H THR 13 -5.646 9.743 -4.608 87 HA THR 13 HA THR 13 -4.458 9.481 -7.107 88 HB THR 13 HB THR 13 -6.071 11.806 -6.054 89 HG1 THR 13 1HG THR 13 -7.442 10.166 -5.868 90 HG21 THR 13 3HG2 THR 13 -5.652 10.852 -8.887 91 HG22 THR 13 1HG2 THR 13 -4.958 12.313 -8.181 92 HG23 THR 13 2HG2 THR 13 -6.705 12.174 -8.378 93 H ALA 14 H ALA 14 -3.737 11.712 -4.482 94 HA ALA 14 HA ALA 14 -2.117 13.521 -5.890 95 HB1 ALA 14 1HB ALA 14 -2.906 14.007 -3.659 96 HB2 ALA 14 2HB ALA 14 -1.143 14.051 -3.685 97 HB3 ALA 14 3HB ALA 14 -1.981 12.657 -3.006 98 H ALA 15 H ALA 15 -1.151 10.681 -3.935 99 HA ALA 15 HA ALA 15 1.536 10.631 -4.673 100 HB1 ALA 15 1HB ALA 15 0.711 9.291 -2.860 101 HB2 ALA 15 2HB ALA 15 1.454 8.234 -4.065 102 HB3 ALA 15 3HB ALA 15 -0.305 8.358 -3.964 103 H LEU 16 H LEU 16 -1.288 9.229 -6.285 104 HA LEU 16 HA LEU 16 0.029 7.842 -8.327 105 HB2 LEU 16 2HB LEU 16 -2.664 8.979 -7.937 106 HB3 LEU 16 1HB LEU 16 -2.195 8.703 -9.603 107 HG LEU 16 HG LEU 16 -3.447 6.815 -8.804 108 HD11 LEU 16 1HD1 LEU 16 -1.898 5.016 -9.250 109 HD12 LEU 16 2HD1 LEU 16 -0.529 6.080 -8.943 110 HD13 LEU 16 3HD1 LEU 16 -1.577 6.371 -10.330 111 HD21 LEU 16 3HD2 LEU 16 -2.741 5.458 -6.933 112 HD22 LEU 16 1HD2 LEU 16 -3.045 7.117 -6.416 113 HD23 LEU 16 2HD2 LEU 16 -1.387 6.548 -6.628 114 H ALA 17 H ALA 17 -0.972 11.218 -8.118 115 HA ALA 17 HA ALA 17 -0.194 11.950 -10.739 116 HB1 ALA 17 1HB ALA 17 -1.750 13.277 -9.391 117 HB2 ALA 17 2HB ALA 17 -0.384 14.248 -9.942 118 HB3 ALA 17 3HB ALA 17 -0.443 13.674 -8.275 119 H ALA 18 H ALA 18 1.564 11.450 -7.807 120 HA ALA 18 HA ALA 18 3.899 12.909 -8.670 121 HB1 ALA 18 1HB ALA 18 3.353 12.731 -6.293 122 HB2 ALA 18 2HB ALA 18 4.942 12.049 -6.640 123 HB3 ALA 18 3HB ALA 18 3.563 10.982 -6.374 124 H CYS 19 H CYS 19 2.729 9.617 -8.842 125 HA CYS 19 HA CYS 19 5.322 8.786 -9.961 126 HB2 CYS 19 2HB CYS 19 4.552 6.453 -9.453 127 HB3 CYS 19 1HB CYS 19 4.793 7.468 -8.036 128 HG CYS 19 HG CYS 19 2.137 7.875 -7.500 129 H LYS 20 H LYS 20 3.222 10.192 -11.430 130 HA LYS 20 HA LYS 20 1.978 8.259 -13.149 131 HB2 LYS 20 2HB LYS 20 1.053 10.189 -14.260 132 HB3 LYS 20 1HB LYS 20 0.897 10.389 -12.528 133 HG2 LYS 20 2HG LYS 20 2.828 11.870 -12.521 134 HG3 LYS 20 1HG LYS 20 3.004 11.659 -14.263 135 HD2 LYS 20 2HD LYS 20 0.760 12.636 -14.575 136 HD3 LYS 20 1HD LYS 20 0.656 12.902 -12.831 137 HE2 LYS 20 2HE LYS 20 2.671 14.107 -14.725 138 HE3 LYS 20 1HE LYS 20 1.335 14.947 -13.940 139 HZ1 LYS 20 3HZ LYS 20 3.415 15.361 -12.796 140 HZ2 LYS 20 1HZ LYS 20 3.653 13.704 -12.560 141 HZ3 LYS 20 2HZ LYS 20 2.368 14.489 -11.795 142 H ALA 21 H ALA 21 5.004 8.676 -12.934 143 HA ALA 21 HA ALA 21 5.509 8.578 -15.804 144 HB1 ALA 21 1HB ALA 21 7.428 10.087 -15.631 145 HB2 ALA 21 2HB ALA 21 7.047 10.377 -13.934 146 HB3 ALA 21 3HB ALA 21 5.928 10.903 -15.191 147 H GLU 22 H GLU 22 6.857 6.960 -16.303 148 HA GLU 22 HA GLU 22 7.876 5.236 -14.306 149 HB2 GLU 22 2HB GLU 22 8.353 5.408 -17.277 150 HB3 GLU 22 1HB GLU 22 9.152 4.209 -16.272 151 HG2 GLU 22 2HG GLU 22 7.286 3.140 -17.225 152 HG3 GLU 22 1HG GLU 22 6.867 3.454 -15.542 153 H GLY 23 H GLY 23 9.846 5.088 -13.387 154 HA2 GLY 23 2HA GLY 23 12.117 5.720 -13.048 155 HA3 GLY 23 1HA GLY 23 11.868 7.086 -14.133 156 H SER 24 H SER 24 9.270 7.646 -12.804 157 HA SER 24 HA SER 24 10.300 8.925 -10.363 158 HB2 SER 24 2HB SER 24 9.502 10.510 -12.076 159 HB3 SER 24 1HB SER 24 7.938 9.697 -12.112 160 HG SER 24 HG SER 24 7.778 10.254 -9.834 161 H PHE 25 H PHE 25 9.599 6.237 -10.352 162 HA PHE 25 HA PHE 25 6.901 6.101 -9.250 163 HB2 PHE 25 2HB PHE 25 7.170 3.656 -9.395 164 HB3 PHE 25 1HB PHE 25 7.415 4.444 -10.949 165 HD1 PHE 25 1HD PHE 25 9.840 4.844 -11.686 166 HD2 PHE 25 2HD PHE 25 8.749 2.189 -8.549 167 HE1 PHE 25 1HE PHE 25 11.988 3.675 -11.937 168 HE2 PHE 25 2HE PHE 25 10.899 1.016 -8.789 169 HZ PHE 25 HZ PHE 25 12.520 1.761 -10.487 170 H ASP 26 H ASP 26 6.587 6.155 -7.160 171 HA ASP 26 HA ASP 26 8.568 4.962 -5.387 172 HB2 ASP 26 2HB ASP 26 8.005 6.982 -3.793 173 HB3 ASP 26 1HB ASP 26 9.277 7.110 -5.000 174 H HIS 27 H HIS 27 7.118 3.257 -5.265 175 HA HIS 27 HA HIS 27 4.427 3.561 -4.457 176 HB2 HIS 27 2HB HIS 27 4.591 1.061 -3.973 177 HB3 HIS 27 1HB HIS 27 4.881 1.579 -5.628 178 HD1 HIS 27 1HD HIS 27 7.022 0.829 -6.679 179 HD2 HIS 27 2HD HIS 27 7.045 0.397 -2.531 180 HE1 HIS 27 1HE HIS 27 9.152 -0.395 -6.124 181 HE2 HIS 27 2HE HIS 27 9.213 -0.516 -3.610 182 H LYS 28 H LYS 28 7.372 3.151 -2.638 183 HA LYS 28 HA LYS 28 6.130 2.505 -0.168 184 HB2 LYS 28 2HB LYS 28 8.546 2.197 -0.669 185 HB3 LYS 28 1HB LYS 28 8.722 3.946 -0.653 186 HG2 LYS 28 2HG LYS 28 8.184 4.055 1.674 187 HG3 LYS 28 1HG LYS 28 7.759 2.342 1.703 188 HD2 LYS 28 2HD LYS 28 10.050 1.720 1.274 189 HD3 LYS 28 1HD LYS 28 10.508 3.410 1.070 190 HE2 LYS 28 2HE LYS 28 11.161 2.578 3.268 191 HE3 LYS 28 1HE LYS 28 9.955 3.854 3.401 192 HZ1 LYS 28 3HZ LYS 28 8.260 2.150 3.724 193 HZ2 LYS 28 1HZ LYS 28 9.465 2.048 4.903 194 HZ3 LYS 28 2HZ LYS 28 9.435 0.939 3.628 195 H ALA 29 H ALA 29 7.145 5.511 -1.713 196 HA ALA 29 HA ALA 29 6.371 7.302 0.282 197 HB1 ALA 29 1HB ALA 29 6.313 7.722 -2.702 198 HB2 ALA 29 2HB ALA 29 7.709 7.966 -1.651 199 HB3 ALA 29 3HB ALA 29 6.281 8.987 -1.473 200 H PHE 30 H PHE 30 4.523 5.614 -2.167 201 HA PHE 30 HA PHE 30 2.125 7.026 -2.045 202 HB2 PHE 30 2HB PHE 30 2.488 5.325 -3.731 203 HB3 PHE 30 1HB PHE 30 2.622 4.075 -2.504 204 HD1 PHE 30 2HD PHE 30 0.295 6.380 -4.187 205 HD2 PHE 30 1HD PHE 30 0.698 3.030 -1.600 206 HE1 PHE 30 2HE PHE 30 -2.114 5.946 -4.382 207 HE2 PHE 30 1HE PHE 30 -1.714 2.586 -1.792 208 HZ PHE 30 HZ PHE 30 -3.125 4.047 -3.183 209 H PHE 31 H PHE 31 3.110 4.166 -0.097 210 HA PHE 31 HA PHE 31 0.680 4.199 1.386 211 HB2 PHE 31 2HB PHE 31 3.258 2.973 2.370 212 HB3 PHE 31 1HB PHE 31 1.620 2.559 2.829 213 HD1 PHE 31 1HD PHE 31 0.088 1.937 0.708 214 HD2 PHE 31 2HD PHE 31 4.311 1.492 0.969 215 HE1 PHE 31 1HE PHE 31 0.005 0.187 -1.015 216 HE2 PHE 31 2HE PHE 31 4.236 -0.256 -0.760 217 HZ PHE 31 HZ PHE 31 2.079 -0.911 -1.752 218 H THR 32 H THR 32 3.823 5.697 1.937 219 HA THR 32 HA THR 32 3.155 6.389 4.647 220 HB THR 32 HB THR 32 5.461 5.902 4.164 221 HG1 THR 32 1HG THR 32 5.992 8.497 4.599 222 HG21 THR 32 3HG2 THR 32 5.630 6.544 1.863 223 HG22 THR 32 1HG2 THR 32 6.823 7.461 2.783 224 HG23 THR 32 2HG2 THR 32 5.323 8.236 2.262 225 H LYS 33 H LYS 33 2.927 7.969 1.549 226 HA LYS 33 HA LYS 33 2.448 10.579 2.644 227 HB2 LYS 33 2HB LYS 33 2.023 11.260 0.413 228 HB3 LYS 33 1HB LYS 33 3.293 10.059 0.311 229 HG2 LYS 33 2HG LYS 33 1.960 9.440 -1.422 230 HG3 LYS 33 1HG LYS 33 1.295 8.439 -0.134 231 HD2 LYS 33 2HD LYS 33 -0.508 9.457 -1.398 232 HD3 LYS 33 1HD LYS 33 -0.472 10.117 0.235 233 HE2 LYS 33 2HE LYS 33 1.119 11.622 -1.715 234 HE3 LYS 33 1HE LYS 33 -0.609 11.595 -2.052 235 HZ1 LYS 33 3HZ LYS 33 0.688 12.509 0.455 236 HZ2 LYS 33 1HZ LYS 33 -0.989 12.365 0.241 237 HZ3 LYS 33 2HZ LYS 33 -0.099 13.472 -0.686 238 H VAL 34 H VAL 34 0.652 7.746 2.034 239 HA VAL 34 HA VAL 34 -1.890 9.136 1.921 240 HB VAL 34 HB VAL 34 -0.819 6.939 0.625 241 HG11 VAL 34 1HG1 VAL 34 -2.975 5.972 2.480 242 HG12 VAL 34 2HG1 VAL 34 -1.283 5.475 2.481 243 HG13 VAL 34 3HG1 VAL 34 -2.318 5.081 1.106 244 HG21 VAL 34 3HG2 VAL 34 -2.397 8.436 -0.323 245 HG22 VAL 34 1HG2 VAL 34 -3.648 7.903 0.802 246 HG23 VAL 34 2HG2 VAL 34 -3.035 6.795 -0.424 247 H GLY 35 H GLY 35 0.009 7.293 4.121 248 HA2 GLY 35 2HA GLY 35 -0.375 7.176 6.433 249 HA3 GLY 35 1HA GLY 35 -2.053 7.608 6.154 250 H LEU 36 H LEU 36 -0.624 5.111 4.237 251 HA LEU 36 HA LEU 36 -2.587 3.249 5.258 252 HB2 LEU 36 2HB LEU 36 -1.782 3.643 2.791 253 HB3 LEU 36 1HB LEU 36 -0.528 2.502 3.230 254 HG LEU 36 HG LEU 36 -2.350 0.889 3.880 255 HD11 LEU 36 1HD1 LEU 36 -4.140 2.530 4.176 256 HD12 LEU 36 2HD1 LEU 36 -4.586 1.296 2.999 257 HD13 LEU 36 3HD1 LEU 36 -4.090 2.896 2.453 258 HD21 LEU 36 3HD2 LEU 36 -1.171 0.665 1.777 259 HD22 LEU 36 1HD2 LEU 36 -2.247 1.841 1.022 260 HD23 LEU 36 2HD2 LEU 36 -2.878 0.283 1.555 261 H ALA 37 H ALA 37 0.733 3.911 5.798 262 HA ALA 37 HA ALA 37 1.470 1.208 6.513 263 HB1 ALA 37 1HB ALA 37 2.983 3.777 6.969 264 HB2 ALA 37 2HB ALA 37 3.103 2.765 5.531 265 HB3 ALA 37 3HB ALA 37 3.627 2.141 7.094 266 H ALA 38 H ALA 38 -0.087 3.779 8.047 267 HA ALA 38 HA ALA 38 0.393 2.566 10.691 268 HB1 ALA 38 1HB ALA 38 -0.526 5.368 10.039 269 HB2 ALA 38 2HB ALA 38 1.093 4.907 10.565 270 HB3 ALA 38 3HB ALA 38 -0.277 4.713 11.657 271 H LYS 39 H LYS 39 -1.371 1.417 8.847 272 HA LYS 39 HA LYS 39 -4.047 2.294 9.595 273 HB2 LYS 39 2HB LYS 39 -2.930 0.575 7.430 274 HB3 LYS 39 1HB LYS 39 -4.618 0.378 7.890 275 HG2 LYS 39 2HG LYS 39 -3.325 2.944 6.984 276 HG3 LYS 39 1HG LYS 39 -4.370 1.904 6.009 277 HD2 LYS 39 2HD LYS 39 -6.116 2.213 7.838 278 HD3 LYS 39 1HD LYS 39 -5.090 3.510 8.450 279 HE2 LYS 39 2HE LYS 39 -5.317 4.739 6.414 280 HE3 LYS 39 1HE LYS 39 -6.150 3.392 5.636 281 HZ1 LYS 39 3HZ LYS 39 -7.151 5.074 7.864 282 HZ2 LYS 39 1HZ LYS 39 -7.910 3.642 7.359 283 HZ3 LYS 39 2HZ LYS 39 -7.779 4.954 6.296 284 H SER 40 H SER 40 -5.671 0.788 10.172 285 HA SER 40 HA SER 40 -4.737 -1.146 12.122 286 HB2 SER 40 2HB SER 40 -7.563 -0.257 11.476 287 HB3 SER 40 1HB SER 40 -7.023 -1.100 12.928 288 HG SER 40 HG SER 40 -5.514 1.016 12.769 289 HA PRO 41 HA PRO 41 -5.320 -4.960 10.086 290 HB2 PRO 41 2HB PRO 41 -7.687 -5.522 11.822 291 HB3 PRO 41 1HB PRO 41 -6.291 -6.544 11.456 292 HG2 PRO 41 2HG PRO 41 -6.417 -5.283 13.773 293 HG3 PRO 41 1HG PRO 41 -4.884 -5.355 12.883 294 HD2 PRO 41 2HD PRO 41 -6.799 -3.086 13.186 295 HD3 PRO 41 1HD PRO 41 -5.027 -3.063 13.104 296 H ALA 42 H ALA 42 -8.602 -3.674 10.773 297 HA ALA 42 HA ALA 42 -9.836 -5.001 8.617 298 HB1 ALA 42 1HB ALA 42 -11.069 -4.115 10.539 299 HB2 ALA 42 2HB ALA 42 -11.733 -3.541 9.008 300 HB3 ALA 42 3HB ALA 42 -10.731 -2.473 9.991 301 H ASP 43 H ASP 43 -8.250 -1.886 8.833 302 HA ASP 43 HA ASP 43 -9.152 -0.845 6.351 303 HB2 ASP 43 2HB ASP 43 -6.732 -0.201 8.050 304 HB3 ASP 43 1HB ASP 43 -7.152 0.684 6.591 305 H ILE 44 H ILE 44 -6.166 -2.394 7.406 306 HA ILE 44 HA ILE 44 -4.974 -2.519 4.847 307 HB ILE 44 HB ILE 44 -4.454 -3.916 7.454 308 HG12 ILE 44 2HG1 ILE 44 -3.818 -1.582 7.350 309 HG13 ILE 44 1HG1 ILE 44 -2.368 -2.582 7.376 310 HG21 ILE 44 1HG2 ILE 44 -2.384 -4.834 6.504 311 HG22 ILE 44 2HG2 ILE 44 -2.879 -4.271 4.907 312 HG23 ILE 44 3HG2 ILE 44 -3.820 -5.511 5.736 313 HD11 ILE 44 3HD1 ILE 44 -2.058 -0.800 5.820 314 HD12 ILE 44 1HD1 ILE 44 -3.564 -1.194 4.992 315 HD13 ILE 44 2HD1 ILE 44 -2.202 -2.313 4.924 316 H LYS 45 H LYS 45 -7.213 -4.588 6.541 317 HA LYS 45 HA LYS 45 -6.969 -6.943 5.049 318 HB2 LYS 45 2HB LYS 45 -8.297 -6.748 7.118 319 HB3 LYS 45 1HB LYS 45 -9.467 -5.747 6.269 320 HG2 LYS 45 2HG LYS 45 -10.354 -7.945 6.409 321 HG3 LYS 45 1HG LYS 45 -9.882 -7.665 4.733 322 HD2 LYS 45 2HD LYS 45 -7.701 -8.816 5.292 323 HD3 LYS 45 1HD LYS 45 -8.447 -9.294 6.815 324 HE2 LYS 45 2HE LYS 45 -9.428 -9.968 4.050 325 HE3 LYS 45 1HE LYS 45 -8.633 -11.072 5.171 326 HZ1 LYS 45 3HZ LYS 45 -11.225 -9.724 5.686 327 HZ2 LYS 45 1HZ LYS 45 -10.483 -10.882 6.666 328 HZ3 LYS 45 2HZ LYS 45 -11.064 -11.312 5.138 329 H LYS 46 H LYS 46 -9.082 -4.121 4.506 330 HA LYS 46 HA LYS 46 -10.074 -5.219 2.051 331 HB2 LYS 46 2HB LYS 46 -11.220 -3.103 1.751 332 HB3 LYS 46 1HB LYS 46 -11.418 -3.655 3.400 333 HG2 LYS 46 2HG LYS 46 -11.007 -1.447 3.766 334 HG3 LYS 46 1HG LYS 46 -9.362 -2.074 3.842 335 HD2 LYS 46 2HD LYS 46 -9.410 -0.068 2.485 336 HD3 LYS 46 1HD LYS 46 -9.052 -1.461 1.462 337 HE2 LYS 46 2HE LYS 46 -11.459 -1.531 0.819 338 HE3 LYS 46 1HE LYS 46 -11.719 -0.069 1.765 339 HZ1 LYS 46 3HZ LYS 46 -10.018 0.999 0.300 340 HZ2 LYS 46 1HZ LYS 46 -11.461 0.579 -0.475 341 HZ3 LYS 46 2HZ LYS 46 -10.081 -0.374 -0.682 342 H VAL 47 H VAL 47 -7.304 -3.380 2.966 343 HA VAL 47 HA VAL 47 -6.614 -2.454 0.377 344 HB VAL 47 HB VAL 47 -4.883 -3.051 2.777 345 HG11 VAL 47 1HG1 VAL 47 -4.123 -1.595 0.244 346 HG12 VAL 47 2HG1 VAL 47 -3.585 -3.216 0.682 347 HG13 VAL 47 3HG1 VAL 47 -3.104 -1.832 1.665 348 HG21 VAL 47 3HG2 VAL 47 -5.681 -0.393 1.617 349 HG22 VAL 47 1HG2 VAL 47 -4.947 -0.716 3.187 350 HG23 VAL 47 2HG2 VAL 47 -6.617 -1.208 2.871 351 H PHE 48 H PHE 48 -5.936 -5.394 2.184 352 HA PHE 48 HA PHE 48 -4.371 -6.800 0.402 353 HB2 PHE 48 2HB PHE 48 -6.621 -7.791 2.152 354 HB3 PHE 48 1HB PHE 48 -5.521 -8.855 1.289 355 HD1 PHE 48 1HD PHE 48 -3.094 -6.891 1.837 356 HD2 PHE 48 2HD PHE 48 -6.032 -8.782 4.261 357 HE1 PHE 48 1HE PHE 48 -1.540 -6.869 3.735 358 HE2 PHE 48 2HE PHE 48 -4.482 -8.757 6.170 359 HZ PHE 48 HZ PHE 48 -2.230 -7.802 5.906 360 H GLU 49 H GLU 49 -7.875 -6.358 0.412 361 HA GLU 49 HA GLU 49 -8.188 -8.009 -1.929 362 HB2 GLU 49 2HB GLU 49 -10.483 -7.733 -1.682 363 HB3 GLU 49 1HB GLU 49 -9.898 -7.603 -0.028 364 HG2 GLU 49 2HG GLU 49 -10.044 -5.186 -0.151 365 HG3 GLU 49 1HG GLU 49 -10.620 -5.301 -1.814 366 H ILE 50 H ILE 50 -7.352 -4.718 -1.412 367 HA ILE 50 HA ILE 50 -8.398 -3.649 -3.820 368 HB ILE 50 HB ILE 50 -5.905 -2.713 -2.385 369 HG12 ILE 50 2HG1 ILE 50 -8.741 -1.696 -2.150 370 HG13 ILE 50 1HG1 ILE 50 -7.954 -2.722 -0.955 371 HG21 ILE 50 1HG2 ILE 50 -7.720 -1.052 -4.098 372 HG22 ILE 50 2HG2 ILE 50 -6.419 -1.993 -4.813 373 HG23 ILE 50 3HG2 ILE 50 -6.047 -0.742 -3.627 374 HD11 ILE 50 3HD1 ILE 50 -7.221 0.084 -1.737 375 HD12 ILE 50 1HD1 ILE 50 -6.213 -0.943 -0.717 376 HD13 ILE 50 2HD1 ILE 50 -7.832 -0.485 -0.182 377 H ILE 51 H ILE 51 -5.147 -5.013 -3.049 378 HA ILE 51 HA ILE 51 -4.181 -4.737 -5.709 379 HB ILE 51 HB ILE 51 -2.613 -6.718 -5.137 380 HG12 ILE 51 2HG1 ILE 51 -4.269 -7.192 -3.062 381 HG13 ILE 51 1HG1 ILE 51 -2.560 -7.617 -3.015 382 HG21 ILE 51 1HG2 ILE 51 -1.890 -4.436 -5.203 383 HG22 ILE 51 2HG2 ILE 51 -1.157 -5.257 -3.825 384 HG23 ILE 51 3HG2 ILE 51 -2.505 -4.149 -3.575 385 HD11 ILE 51 3HD1 ILE 51 -3.893 -5.203 -1.794 386 HD12 ILE 51 1HD1 ILE 51 -2.144 -5.421 -1.894 387 HD13 ILE 51 2HD1 ILE 51 -3.118 -6.556 -0.969 388 H ASP 52 H ASP 52 -5.989 -7.201 -4.038 389 HA ASP 52 HA ASP 52 -6.065 -8.905 -6.359 390 HB2 ASP 52 2HB ASP 52 -6.190 -9.693 -3.901 391 HB3 ASP 52 1HB ASP 52 -7.856 -9.134 -3.940 392 H GLN 53 H GLN 53 -6.925 -6.874 -7.590 393 HA GLN 53 HA GLN 53 -9.392 -5.700 -6.992 394 HB2 GLN 53 2HB GLN 53 -9.366 -4.751 -9.182 395 HB3 GLN 53 1HB GLN 53 -7.697 -4.827 -8.638 396 HG2 GLN 53 2HG GLN 53 -7.183 -6.588 -10.079 397 HG3 GLN 53 1HG GLN 53 -8.879 -6.986 -10.344 398 HE21 GLN 53 1HE2 GLN 53 -6.895 -6.515 -12.349 399 HE22 GLN 53 2HE2 GLN 53 -7.410 -5.141 -13.260 400 H ASP 54 H ASP 54 -8.605 -8.604 -8.686 401 HA ASP 54 HA ASP 54 -11.274 -9.055 -9.695 402 HB2 ASP 54 2HB ASP 54 -8.826 -10.801 -9.591 403 HB3 ASP 54 1HB ASP 54 -10.359 -11.358 -10.245 404 H LYS 55 H LYS 55 -9.654 -9.666 -6.752 405 HA LYS 55 HA LYS 55 -10.226 -10.683 -4.810 406 HB2 LYS 55 2HB LYS 55 -12.312 -9.276 -5.312 407 HB3 LYS 55 1HB LYS 55 -13.064 -10.783 -5.814 408 HG2 LYS 55 2HG LYS 55 -13.717 -10.402 -3.576 409 HG3 LYS 55 1HG LYS 55 -12.519 -11.697 -3.537 410 HD2 LYS 55 2HD LYS 55 -10.790 -10.052 -2.934 411 HD3 LYS 55 1HD LYS 55 -12.013 -8.781 -2.938 412 HE2 LYS 55 2HE LYS 55 -11.672 -9.437 -0.676 413 HE3 LYS 55 1HE LYS 55 -13.236 -10.074 -1.179 414 HZ1 LYS 55 3HZ LYS 55 -10.693 -11.586 -0.942 415 HZ2 LYS 55 1HZ LYS 55 -12.118 -12.222 -1.590 416 HZ3 LYS 55 2HZ LYS 55 -12.066 -11.748 0.028 417 H SER 56 H SER 56 -9.015 -12.523 -5.987 418 HA SER 56 HA SER 56 -10.750 -14.899 -5.971 419 HB2 SER 56 2HB SER 56 -8.509 -14.767 -7.947 420 HB3 SER 56 1HB SER 56 -10.008 -15.689 -8.013 421 HG SER 56 HG SER 56 -11.112 -13.894 -8.625 422 H ASP 57 H ASP 57 -8.484 -13.475 -4.359 423 HA ASP 57 HA ASP 57 -7.025 -14.163 -2.762 424 HB2 ASP 57 2HB ASP 57 -8.501 -16.214 -2.633 425 HB3 ASP 57 1HB ASP 57 -7.373 -17.003 -3.729 426 H PHE 58 H PHE 58 -6.587 -14.479 -6.009 427 HA PHE 58 HA PHE 58 -3.669 -14.723 -5.668 428 HB2 PHE 58 2HB PHE 58 -5.341 -15.324 -8.121 429 HB3 PHE 58 1HB PHE 58 -3.584 -15.344 -8.077 430 HD1 PHE 58 2HD PHE 58 -2.402 -17.084 -6.792 431 HD2 PHE 58 1HD PHE 58 -6.628 -17.134 -7.288 432 HE1 PHE 58 2HE PHE 58 -2.450 -19.452 -6.125 433 HE2 PHE 58 1HE PHE 58 -6.681 -19.500 -6.623 434 HZ PHE 58 HZ PHE 58 -4.590 -20.662 -6.041 435 H VAL 59 H VAL 59 -2.422 -13.046 -6.529 436 HA VAL 59 HA VAL 59 -3.943 -10.765 -7.617 437 HB VAL 59 HB VAL 59 -1.774 -10.556 -5.543 438 HG11 VAL 59 1HG1 VAL 59 -2.071 -8.691 -7.196 439 HG12 VAL 59 2HG1 VAL 59 -2.134 -8.299 -5.483 440 HG13 VAL 59 3HG1 VAL 59 -3.629 -8.406 -6.412 441 HG21 VAL 59 3HG2 VAL 59 -3.549 -9.857 -4.005 442 HG22 VAL 59 1HG2 VAL 59 -3.731 -11.530 -4.532 443 HG23 VAL 59 2HG2 VAL 59 -4.743 -10.269 -5.236 444 H GLU 60 H GLU 60 -3.149 -11.171 -9.736 445 HA GLU 60 HA GLU 60 -0.276 -11.379 -10.132 446 HB2 GLU 60 2HB GLU 60 -2.103 -12.713 -11.389 447 HB3 GLU 60 1HB GLU 60 -2.325 -11.247 -12.331 448 HG2 GLU 60 2HG GLU 60 0.025 -11.339 -13.013 449 HG3 GLU 60 1HG GLU 60 0.232 -12.815 -12.077 450 H GLU 61 H GLU 61 0.562 -10.038 -12.158 451 HA GLU 61 HA GLU 61 0.781 -7.407 -11.272 452 HB2 GLU 61 2HB GLU 61 2.452 -8.532 -12.705 453 HB3 GLU 61 1HB GLU 61 1.332 -8.447 -14.052 454 HG2 GLU 61 2HG GLU 61 1.421 -6.057 -14.073 455 HG3 GLU 61 1HG GLU 61 2.388 -6.036 -12.599 456 H ASP 62 H ASP 62 -1.226 -8.702 -13.909 457 HA ASP 62 HA ASP 62 -2.172 -6.289 -14.926 458 HB2 ASP 62 2HB ASP 62 -3.479 -8.998 -14.766 459 HB3 ASP 62 1HB ASP 62 -4.248 -7.632 -15.567 460 H GLU 63 H GLU 63 -3.095 -8.038 -12.059 461 HA GLU 63 HA GLU 63 -5.435 -6.533 -11.520 462 HB2 GLU 63 2HB GLU 63 -3.681 -8.286 -9.822 463 HB3 GLU 63 1HB GLU 63 -5.037 -7.390 -9.136 464 HG2 GLU 63 2HG GLU 63 -6.504 -8.456 -10.841 465 HG3 GLU 63 1HG GLU 63 -5.137 -9.473 -11.297 466 H LEU 64 H LEU 64 -2.045 -6.192 -10.609 467 HA LEU 64 HA LEU 64 -2.504 -3.995 -8.878 468 HB2 LEU 64 2HB LEU 64 -0.132 -5.292 -10.020 469 HB3 LEU 64 1HB LEU 64 0.044 -3.613 -9.527 470 HG LEU 64 HG LEU 64 -1.134 -4.458 -7.343 471 HD11 LEU 64 1HD1 LEU 64 0.142 -6.972 -8.383 472 HD12 LEU 64 2HD1 LEU 64 -1.580 -6.700 -8.133 473 HD13 LEU 64 3HD1 LEU 64 -0.483 -6.728 -6.754 474 HD21 LEU 64 3HD2 LEU 64 1.754 -4.927 -8.018 475 HD22 LEU 64 1HD2 LEU 64 1.088 -4.849 -6.386 476 HD23 LEU 64 2HD2 LEU 64 1.022 -3.432 -7.434 477 H LYS 65 H LYS 65 -2.313 -4.280 -12.281 478 HA LYS 65 HA LYS 65 -1.662 -1.599 -12.858 479 HB2 LYS 65 2HB LYS 65 -2.821 -3.874 -14.329 480 HB3 LYS 65 1HB LYS 65 -3.333 -2.297 -14.917 481 HG2 LYS 65 2HG LYS 65 -1.375 -3.123 -16.124 482 HG3 LYS 65 1HG LYS 65 -1.003 -1.648 -15.230 483 HD2 LYS 65 2HD LYS 65 -0.022 -3.012 -13.437 484 HD3 LYS 65 1HD LYS 65 -0.338 -4.468 -14.384 485 HE2 LYS 65 2HE LYS 65 1.464 -2.174 -15.168 486 HE3 LYS 65 1HE LYS 65 1.987 -3.759 -14.607 487 HZ1 LYS 65 3HZ LYS 65 2.124 -3.606 -16.999 488 HZ2 LYS 65 1HZ LYS 65 0.484 -3.208 -17.108 489 HZ3 LYS 65 2HZ LYS 65 0.948 -4.739 -16.568 490 H LEU 66 H LEU 66 -4.778 -3.230 -12.406 491 HA LEU 66 HA LEU 66 -6.020 -0.580 -12.383 492 HB2 LEU 66 2HB LEU 66 -7.340 -3.259 -12.731 493 HB3 LEU 66 1HB LEU 66 -8.100 -1.683 -12.909 494 HG LEU 66 HG LEU 66 -5.919 -2.832 -14.645 495 HD11 LEU 66 1HD1 LEU 66 -8.769 -2.108 -15.274 496 HD12 LEU 66 2HD1 LEU 66 -8.128 -3.741 -15.096 497 HD13 LEU 66 3HD1 LEU 66 -7.566 -2.713 -16.415 498 HD21 LEU 66 3HD2 LEU 66 -7.219 -0.114 -14.746 499 HD22 LEU 66 1HD2 LEU 66 -6.111 -0.769 -15.952 500 HD23 LEU 66 2HD2 LEU 66 -5.540 -0.456 -14.309 501 H PHE 67 H PHE 67 -4.804 -2.628 -10.174 502 HA PHE 67 HA PHE 67 -6.856 -2.693 -8.208 503 HB2 PHE 67 2HB PHE 67 -5.322 -3.729 -6.917 504 HB3 PHE 67 1HB PHE 67 -4.320 -3.734 -8.355 505 HD1 PHE 67 2HD PHE 67 -2.533 -1.986 -8.595 506 HD2 PHE 67 1HD PHE 67 -4.710 -2.523 -4.988 507 HE1 PHE 67 2HE PHE 67 -0.790 -0.771 -7.362 508 HE2 PHE 67 1HE PHE 67 -2.976 -1.306 -3.748 509 HZ PHE 67 HZ PHE 67 -1.007 -0.428 -4.936 510 H LEU 68 H LEU 68 -4.644 -0.349 -9.379 511 HA LEU 68 HA LEU 68 -4.792 1.593 -7.338 512 HB2 LEU 68 2HB LEU 68 -4.437 2.146 -10.274 513 HB3 LEU 68 1HB LEU 68 -3.795 3.059 -8.921 514 HG LEU 68 HG LEU 68 -2.897 0.245 -9.185 515 HD11 LEU 68 1HD1 LEU 68 -1.184 0.893 -10.821 516 HD12 LEU 68 2HD1 LEU 68 -1.981 2.454 -11.015 517 HD13 LEU 68 3HD1 LEU 68 -2.819 0.971 -11.489 518 HD21 LEU 68 3HD2 LEU 68 -0.819 1.165 -8.374 519 HD22 LEU 68 1HD2 LEU 68 -2.147 1.728 -7.358 520 HD23 LEU 68 2HD2 LEU 68 -1.437 2.810 -8.558 521 H GLN 69 H GLN 69 -6.659 0.926 -10.227 522 HA GLN 69 HA GLN 69 -8.368 3.178 -10.034 523 HB2 GLN 69 2HB GLN 69 -8.651 0.538 -11.462 524 HB3 GLN 69 1HB GLN 69 -9.834 1.833 -11.588 525 HG2 GLN 69 2HG GLN 69 -6.931 2.199 -12.262 526 HG3 GLN 69 1HG GLN 69 -8.137 1.689 -13.437 527 HE21 GLN 69 1HE2 GLN 69 -7.856 3.516 -14.692 528 HE22 GLN 69 2HE2 GLN 69 -8.425 5.077 -14.206 529 H ASN 70 H ASN 70 -8.162 0.195 -8.381 530 HA ASN 70 HA ASN 70 -10.874 0.269 -7.362 531 HB2 ASN 70 2HB ASN 70 -9.671 -1.881 -7.502 532 HB3 ASN 70 1HB ASN 70 -8.460 -1.280 -6.375 533 HD21 ASN 70 1HD2 ASN 70 -11.680 -2.480 -6.750 534 HD22 ASN 70 2HD2 ASN 70 -12.021 -2.689 -5.067 535 H PHE 71 H PHE 71 -7.638 1.130 -6.272 536 HA PHE 71 HA PHE 71 -8.289 2.092 -3.717 537 HB2 PHE 71 2HB PHE 71 -5.989 1.972 -5.370 538 HB3 PHE 71 1HB PHE 71 -6.172 3.651 -4.878 539 HD1 PHE 71 1HD PHE 71 -7.095 3.597 -2.199 540 HD2 PHE 71 2HD PHE 71 -4.382 0.940 -4.116 541 HE1 PHE 71 1HE PHE 71 -6.067 3.083 -0.024 542 HE2 PHE 71 2HE PHE 71 -3.353 0.415 -1.943 543 HZ PHE 71 HZ PHE 71 -4.196 1.490 0.106 544 H SER 72 H SER 72 -7.973 3.779 -6.821 545 HA SER 72 HA SER 72 -9.965 5.718 -5.958 546 HB2 SER 72 2HB SER 72 -7.838 6.780 -5.337 547 HB3 SER 72 1HB SER 72 -7.220 6.520 -6.966 548 HG SER 72 HG SER 72 -7.964 8.589 -6.932 549 H ALA 73 H ALA 73 -11.225 6.406 -7.631 550 HA ALA 73 HA ALA 73 -11.060 4.881 -10.050 551 HB1 ALA 73 1HB ALA 73 -12.980 7.086 -9.334 552 HB2 ALA 73 2HB ALA 73 -13.198 5.381 -8.945 553 HB3 ALA 73 3HB ALA 73 -13.167 5.905 -10.629 554 H GLY 74 H GLY 74 -9.504 7.629 -9.128 555 HA2 GLY 74 2HA GLY 74 -9.320 8.567 -11.925 556 HA3 GLY 74 1HA GLY 74 -9.143 9.630 -10.535 557 H ALA 75 H ALA 75 -7.794 6.414 -10.634 558 HA ALA 75 HA ALA 75 -5.147 7.569 -10.226 559 HB1 ALA 75 1HB ALA 75 -6.124 4.726 -9.977 560 HB2 ALA 75 2HB ALA 75 -5.891 5.873 -8.657 561 HB3 ALA 75 3HB ALA 75 -4.502 5.289 -9.573 562 H ARG 76 H ARG 76 -3.287 6.683 -11.346 563 HA ARG 76 HA ARG 76 -3.898 5.998 -14.116 564 HB2 ARG 76 2HB ARG 76 -1.283 6.965 -12.953 565 HB3 ARG 76 1HB ARG 76 -1.658 6.769 -14.658 566 HG2 ARG 76 2HG ARG 76 -2.862 8.778 -12.767 567 HG3 ARG 76 1HG ARG 76 -1.736 9.099 -14.087 568 HD2 ARG 76 2HD ARG 76 -3.423 8.286 -15.689 569 HD3 ARG 76 1HD ARG 76 -4.545 8.034 -14.352 570 HE ARG 76 HE ARG 76 -3.535 10.712 -14.486 571 HH11 ARG 76 1HH1 ARG 76 -5.948 8.515 -15.753 572 HH12 ARG 76 2HH1 ARG 76 -7.068 9.775 -16.155 573 HH21 ARG 76 1HH2 ARG 76 -5.011 12.375 -15.001 574 HH22 ARG 76 2HH2 ARG 76 -6.533 11.977 -15.726 575 H ALA 77 H ALA 77 -2.983 4.178 -15.075 576 HA ALA 77 HA ALA 77 -2.378 2.045 -13.264 577 HB1 ALA 77 1HB ALA 77 -2.279 2.075 -16.277 578 HB2 ALA 77 2HB ALA 77 -3.681 1.647 -15.297 579 HB3 ALA 77 3HB ALA 77 -2.230 0.642 -15.248 580 H LEU 78 H LEU 78 -0.488 1.698 -12.411 581 HA LEU 78 HA LEU 78 1.946 2.844 -13.268 582 HB2 LEU 78 2HB LEU 78 1.183 0.710 -11.306 583 HB3 LEU 78 1HB LEU 78 2.870 0.946 -11.710 584 HG LEU 78 HG LEU 78 2.913 3.113 -10.752 585 HD11 LEU 78 1HD1 LEU 78 0.805 3.973 -11.640 586 HD12 LEU 78 2HD1 LEU 78 0.951 4.280 -9.910 587 HD13 LEU 78 3HD1 LEU 78 -0.084 2.976 -10.488 588 HD21 LEU 78 3HD2 LEU 78 1.207 1.328 -9.028 589 HD22 LEU 78 1HD2 LEU 78 2.131 2.719 -8.459 590 HD23 LEU 78 2HD2 LEU 78 2.968 1.317 -9.127 591 H SER 79 H SER 79 3.831 1.713 -14.116 592 HA SER 79 HA SER 79 3.233 -0.715 -15.612 593 HB2 SER 79 2HB SER 79 4.152 1.812 -17.003 594 HB3 SER 79 1HB SER 79 3.844 0.251 -17.762 595 HG SER 79 HG SER 79 1.995 2.047 -16.596 596 H ASP 80 H ASP 80 5.082 -1.618 -16.695 597 HA ASP 80 HA ASP 80 7.223 -2.302 -16.876 598 HB2 ASP 80 2HB ASP 80 7.692 0.657 -16.534 599 HB3 ASP 80 1HB ASP 80 8.972 -0.485 -16.930 600 H ALA 81 H ALA 81 9.210 -0.359 -15.283 601 HA ALA 81 HA ALA 81 9.964 -2.445 -13.590 602 HB1 ALA 81 1HB ALA 81 11.680 -0.953 -12.767 603 HB2 ALA 81 2HB ALA 81 10.836 0.435 -13.454 604 HB3 ALA 81 3HB ALA 81 11.525 -0.793 -14.517 605 H GLU 82 H GLU 82 7.828 0.248 -13.046 606 HA GLU 82 HA GLU 82 8.042 0.363 -10.235 607 HB2 GLU 82 2HB GLU 82 7.006 2.210 -11.282 608 HB3 GLU 82 1HB GLU 82 5.901 1.185 -12.185 609 HG2 GLU 82 2HG GLU 82 4.710 2.321 -10.448 610 HG3 GLU 82 1HG GLU 82 4.767 0.596 -10.109 611 H THR 83 H THR 83 5.418 -1.062 -12.200 612 HA THR 83 HA THR 83 4.212 -2.350 -10.029 613 HB THR 83 HB THR 83 3.986 -3.554 -12.748 614 HG1 THR 83 1HG THR 83 2.923 -1.006 -12.011 615 HG21 THR 83 3HG2 THR 83 1.622 -3.622 -12.150 616 HG22 THR 83 1HG2 THR 83 1.954 -2.711 -10.676 617 HG23 THR 83 2HG2 THR 83 2.598 -4.342 -10.869 618 H LYS 84 H LYS 84 6.842 -3.308 -12.124 619 HA LYS 84 HA LYS 84 6.729 -6.086 -11.557 620 HB2 LYS 84 2HB LYS 84 7.863 -5.041 -13.534 621 HB3 LYS 84 1HB LYS 84 9.127 -4.484 -12.452 622 HG2 LYS 84 2HG LYS 84 9.846 -6.478 -13.587 623 HG3 LYS 84 1HG LYS 84 9.639 -6.813 -11.869 624 HD2 LYS 84 2HD LYS 84 8.672 -8.661 -12.896 625 HD3 LYS 84 1HD LYS 84 7.288 -7.639 -12.528 626 HE2 LYS 84 2HE LYS 84 8.671 -7.735 -15.208 627 HE3 LYS 84 1HE LYS 84 7.240 -8.673 -14.799 628 HZ1 LYS 84 3HZ LYS 84 6.104 -6.514 -14.344 629 HZ2 LYS 84 1HZ LYS 84 6.551 -6.745 -15.961 630 HZ3 LYS 84 2HZ LYS 84 7.464 -5.723 -14.981 631 H VAL 85 H VAL 85 8.862 -3.492 -10.326 632 HA VAL 85 HA VAL 85 10.107 -5.192 -8.395 633 HB VAL 85 HB VAL 85 10.006 -2.171 -8.552 634 HG11 VAL 85 1HG1 VAL 85 11.936 -2.205 -7.035 635 HG12 VAL 85 2HG1 VAL 85 11.770 -3.954 -6.874 636 HG13 VAL 85 3HG1 VAL 85 10.498 -2.890 -6.278 637 HG21 VAL 85 3HG2 VAL 85 12.115 -4.146 -9.419 638 HG22 VAL 85 1HG2 VAL 85 12.287 -2.391 -9.445 639 HG23 VAL 85 2HG2 VAL 85 11.091 -3.174 -10.477 640 H PHE 86 H PHE 86 7.411 -2.958 -8.386 641 HA PHE 86 HA PHE 86 6.890 -2.917 -5.629 642 HB2 PHE 86 2HB PHE 86 5.937 -1.305 -7.198 643 HB3 PHE 86 1HB PHE 86 5.018 -2.575 -7.985 644 HD1 PHE 86 1HD PHE 86 5.473 -1.980 -4.346 645 HD2 PHE 86 2HD PHE 86 2.825 -1.898 -7.672 646 HE1 PHE 86 1HE PHE 86 3.599 -1.509 -2.834 647 HE2 PHE 86 2HE PHE 86 0.940 -1.427 -6.163 648 HZ PHE 86 HZ PHE 86 1.325 -1.231 -3.740 649 H LEU 87 H LEU 87 5.870 -5.152 -8.188 650 HA LEU 87 HA LEU 87 4.191 -6.776 -6.638 651 HB2 LEU 87 2HB LEU 87 5.968 -7.390 -8.982 652 HB3 LEU 87 1HB LEU 87 5.013 -8.633 -8.205 653 HG LEU 87 HG LEU 87 3.871 -6.150 -9.483 654 HD11 LEU 87 1HD1 LEU 87 4.960 -7.664 -11.093 655 HD12 LEU 87 2HD1 LEU 87 3.212 -7.582 -11.298 656 HD13 LEU 87 3HD1 LEU 87 3.941 -8.980 -10.510 657 HD21 LEU 87 3HD2 LEU 87 2.361 -6.920 -7.822 658 HD22 LEU 87 1HD2 LEU 87 2.630 -8.610 -8.262 659 HD23 LEU 87 2HD2 LEU 87 1.762 -7.536 -9.360 660 H LYS 88 H LYS 88 7.700 -6.930 -7.186 661 HA LYS 88 HA LYS 88 8.009 -9.269 -5.613 662 HB2 LYS 88 2HB LYS 88 10.017 -7.262 -6.612 663 HB3 LYS 88 1HB LYS 88 10.461 -8.695 -5.690 664 HG2 LYS 88 2HG LYS 88 9.062 -8.666 -8.354 665 HG3 LYS 88 1HG LYS 88 10.747 -9.102 -8.047 666 HD2 LYS 88 2HD LYS 88 9.866 -10.873 -6.481 667 HD3 LYS 88 1HD LYS 88 8.266 -10.543 -7.144 668 HE2 LYS 88 2HE LYS 88 9.211 -12.433 -8.291 669 HE3 LYS 88 1HE LYS 88 9.132 -11.065 -9.399 670 HZ1 LYS 88 3HZ LYS 88 11.566 -11.899 -7.915 671 HZ2 LYS 88 1HZ LYS 88 11.467 -10.675 -9.080 672 HZ3 LYS 88 2HZ LYS 88 11.238 -12.287 -9.529 673 H ALA 89 H ALA 89 7.775 -5.944 -4.783 674 HA ALA 89 HA ALA 89 9.001 -6.080 -2.236 675 HB1 ALA 89 1HB ALA 89 8.465 -3.952 -3.302 676 HB2 ALA 89 2HB ALA 89 7.702 -4.067 -1.715 677 HB3 ALA 89 3HB ALA 89 6.744 -4.309 -3.176 678 H GLY 90 H GLY 90 5.958 -7.164 -3.488 679 HA2 GLY 90 2HA GLY 90 5.188 -8.045 -0.772 680 HA3 GLY 90 1HA GLY 90 4.018 -7.588 -2.002 681 H ASP 91 H ASP 91 6.488 -9.150 -3.516 682 HA ASP 91 HA ASP 91 5.294 -11.811 -3.122 683 HB2 ASP 91 2HB ASP 91 5.537 -10.849 -5.469 684 HB3 ASP 91 1HB ASP 91 7.276 -11.058 -5.261 685 H SER 92 H SER 92 6.394 -12.672 -1.330 686 HA SER 92 HA SER 92 9.243 -12.060 -1.075 687 HB2 SER 92 2HB SER 92 7.391 -13.445 0.877 688 HB3 SER 92 1HB SER 92 9.040 -12.909 1.206 689 HG SER 92 HG SER 92 8.319 -10.760 0.805 690 H ASP 93 H ASP 93 7.123 -14.597 -1.958 691 HA ASP 93 HA ASP 93 9.205 -16.627 -1.644 692 HB2 ASP 93 2HB ASP 93 7.505 -18.259 -2.174 693 HB3 ASP 93 1HB ASP 93 6.888 -17.159 -0.947 694 H GLY 94 H GLY 94 7.869 -14.594 -4.039 695 HA2 GLY 94 2HA GLY 94 8.771 -14.142 -6.124 696 HA3 GLY 94 1HA GLY 94 9.848 -15.513 -5.923 697 H ASP 95 H ASP 95 6.308 -15.137 -6.049 698 HA ASP 95 HA ASP 95 6.276 -17.357 -7.973 699 HB2 ASP 95 2HB ASP 95 4.035 -17.860 -7.254 700 HB3 ASP 95 1HB ASP 95 5.063 -17.729 -5.835 701 H GLY 96 H GLY 96 6.030 -14.040 -7.862 702 HA2 GLY 96 2HA GLY 96 5.896 -12.795 -9.868 703 HA3 GLY 96 1HA GLY 96 4.996 -14.107 -10.605 704 H LYS 97 H LYS 97 4.203 -12.688 -7.496 705 HA LYS 97 HA LYS 97 1.967 -11.171 -8.527 706 HB2 LYS 97 2HB LYS 97 0.257 -12.563 -8.004 707 HB3 LYS 97 1HB LYS 97 1.472 -13.798 -8.306 708 HG2 LYS 97 2HG LYS 97 1.976 -13.908 -5.926 709 HG3 LYS 97 1HG LYS 97 0.794 -12.633 -5.628 710 HD2 LYS 97 2HD LYS 97 -0.990 -14.066 -6.512 711 HD3 LYS 97 1HD LYS 97 0.190 -15.364 -6.750 712 HE2 LYS 97 2HE LYS 97 -0.086 -14.018 -4.123 713 HE3 LYS 97 1HE LYS 97 -1.212 -15.309 -4.569 714 HZ1 LYS 97 3HZ LYS 97 0.591 -16.823 -4.791 715 HZ2 LYS 97 1HZ LYS 97 0.780 -16.060 -3.296 716 HZ3 LYS 97 2HZ LYS 97 1.744 -15.604 -4.616 717 H ILE 98 H ILE 98 0.693 -10.235 -6.698 718 HA ILE 98 HA ILE 98 2.397 -9.761 -4.389 719 HB ILE 98 HB ILE 98 -0.267 -8.617 -5.212 720 HG12 ILE 98 2HG1 ILE 98 1.743 -7.679 -6.264 721 HG13 ILE 98 1HG1 ILE 98 0.956 -6.506 -5.220 722 HG21 ILE 98 1HG2 ILE 98 -0.037 -7.197 -3.125 723 HG22 ILE 98 2HG2 ILE 98 1.168 -8.369 -2.573 724 HG23 ILE 98 3HG2 ILE 98 -0.494 -8.881 -2.871 725 HD11 ILE 98 3HD1 ILE 98 2.613 -7.070 -3.461 726 HD12 ILE 98 1HD1 ILE 98 3.297 -6.326 -4.905 727 HD13 ILE 98 2HD1 ILE 98 3.454 -8.062 -4.651 728 H GLY 99 H GLY 99 2.289 -10.990 -2.647 729 HA2 GLY 99 2HA GLY 99 -0.007 -12.731 -2.254 730 HA3 GLY 99 1HA GLY 99 1.441 -12.659 -1.249 731 H VAL 100 H VAL 100 -1.612 -12.356 -0.825 732 HA VAL 100 HA VAL 100 -2.170 -9.768 0.008 733 HB VAL 100 HB VAL 100 -3.251 -12.456 0.684 734 HG11 VAL 100 1HG1 VAL 100 -5.001 -11.405 2.092 735 HG12 VAL 100 2HG1 VAL 100 -4.052 -9.918 2.088 736 HG13 VAL 100 3HG1 VAL 100 -3.398 -11.378 2.826 737 HG21 VAL 100 3HG2 VAL 100 -5.268 -11.539 -0.331 738 HG22 VAL 100 1HG2 VAL 100 -3.877 -11.339 -1.399 739 HG23 VAL 100 2HG2 VAL 100 -4.487 -9.965 -0.476 740 H ASP 101 H ASP 101 -0.944 -12.492 1.932 741 HA ASP 101 HA ASP 101 -0.586 -11.017 4.318 742 HB2 ASP 101 2HB ASP 101 0.684 -12.928 5.096 743 HB3 ASP 101 1HB ASP 101 -0.712 -13.497 4.184 744 H GLU 102 H GLU 102 1.337 -11.418 1.463 745 HA GLU 102 HA GLU 102 3.812 -10.592 2.649 746 HB2 GLU 102 2HB GLU 102 3.160 -10.666 -0.303 747 HB3 GLU 102 1HB GLU 102 4.742 -10.814 0.463 748 HG2 GLU 102 2HG GLU 102 3.774 -12.948 1.545 749 HG3 GLU 102 1HG GLU 102 2.537 -12.832 0.305 750 H PHE 103 H PHE 103 1.210 -9.059 0.872 751 HA PHE 103 HA PHE 103 2.530 -6.548 0.397 752 HB2 PHE 103 2HB PHE 103 0.528 -7.482 -0.856 753 HB3 PHE 103 1HB PHE 103 -0.454 -7.127 0.556 754 HD1 PHE 103 2HD PHE 103 1.384 -5.714 -2.262 755 HD2 PHE 103 1HD PHE 103 -1.087 -4.853 1.088 756 HE1 PHE 103 2HE PHE 103 0.973 -3.461 -3.152 757 HE2 PHE 103 1HE PHE 103 -1.512 -2.599 0.192 758 HZ PHE 103 HZ PHE 103 -0.478 -1.900 -1.925 759 H GLY 104 H GLY 104 0.426 -7.833 2.968 760 HA2 GLY 104 2HA GLY 104 0.095 -5.443 4.419 761 HA3 GLY 104 1HA GLY 104 0.074 -7.059 5.117 762 H ALA 105 H ALA 105 2.547 -7.981 4.691 763 HA ALA 105 HA ALA 105 4.183 -6.641 6.563 764 HB1 ALA 105 1HB ALA 105 5.916 -8.239 5.879 765 HB2 ALA 105 2HB ALA 105 4.920 -8.727 4.509 766 HB3 ALA 105 3HB ALA 105 4.368 -9.036 6.155 767 H MET 106 H MET 106 3.720 -6.314 3.172 768 HA MET 106 HA MET 106 6.163 -5.110 2.431 769 HB2 MET 106 2HB MET 106 4.570 -6.001 0.785 770 HB3 MET 106 1HB MET 106 3.410 -4.756 1.238 771 HG2 MET 106 2HG MET 106 5.472 -3.189 0.641 772 HG3 MET 106 1HG MET 106 5.849 -4.587 -0.370 773 HE1 MET 106 3HE MET 106 4.934 -5.039 -2.589 774 HE2 MET 106 1HE MET 106 3.309 -4.612 -3.125 775 HE3 MET 106 2HE MET 106 3.530 -5.726 -1.777 776 H ILE 107 H ILE 107 3.043 -3.754 3.421 777 HA ILE 107 HA ILE 107 3.811 -1.055 2.937 778 HB ILE 107 HB ILE 107 1.580 -2.026 4.751 779 HG12 ILE 107 2HG1 ILE 107 1.397 -1.378 1.801 780 HG13 ILE 107 1HG1 ILE 107 1.492 -3.017 2.441 781 HG21 ILE 107 1HG2 ILE 107 0.555 0.115 4.271 782 HG22 ILE 107 2HG2 ILE 107 1.888 0.542 3.199 783 HG23 ILE 107 3HG2 ILE 107 2.173 0.355 4.928 784 HD11 ILE 107 3HD1 ILE 107 -0.585 -2.657 3.664 785 HD12 ILE 107 1HD1 ILE 107 -0.794 -2.405 1.934 786 HD13 ILE 107 2HD1 ILE 107 -0.681 -1.020 3.017 787 H LYS 108 H LYS 108 3.828 -3.246 5.603 788 HA LYS 108 HA LYS 108 4.429 -1.274 7.601 789 HB2 LYS 108 2HB LYS 108 3.142 -3.190 8.201 790 HB3 LYS 108 1HB LYS 108 4.365 -4.287 7.586 791 HG2 LYS 108 2HG LYS 108 4.987 -2.451 9.865 792 HG3 LYS 108 1HG LYS 108 4.106 -3.953 10.137 793 HD2 LYS 108 2HD LYS 108 6.789 -3.769 8.773 794 HD3 LYS 108 1HD LYS 108 6.570 -4.138 10.483 795 HE2 LYS 108 2HE LYS 108 5.480 -5.762 8.183 796 HE3 LYS 108 1HE LYS 108 6.923 -6.152 9.112 797 HZ1 LYS 108 3HZ LYS 108 5.516 -6.312 11.099 798 HZ2 LYS 108 1HZ LYS 108 5.073 -7.426 9.907 799 HZ3 LYS 108 2HZ LYS 108 4.143 -6.036 10.150 800 H ALA 109 H ALA 109 6.251 -3.233 5.412 801 HA ALA 109 HA ALA 109 8.673 -3.493 6.786 802 HB1 ALA 109 1HB ALA 109 9.689 -3.877 4.611 803 HB2 ALA 109 2HB ALA 109 8.262 -3.219 3.812 804 HB3 ALA 109 3HB ALA 109 8.145 -4.718 4.732 Start of MODEL 9 1 H1 MET 1 1HT MET 1 -16.570 7.656 -6.553 2 H2 MET 1 2HT MET 1 -16.355 6.699 -7.928 3 H3 MET 1 3HT MET 1 -15.115 7.725 -7.411 4 HA MET 1 HA MET 1 -16.151 5.359 -5.976 5 HB2 MET 1 2HB MET 1 -13.580 5.877 -7.465 6 HB3 MET 1 1HB MET 1 -13.764 4.556 -6.319 7 HG2 MET 1 2HG MET 1 -15.642 3.700 -7.689 8 HG3 MET 1 1HG MET 1 -15.305 4.964 -8.870 9 HE1 MET 1 2HE MET 1 -11.756 3.985 -10.156 10 HE2 MET 1 3HE MET 1 -12.148 5.117 -8.862 11 HE3 MET 1 1HE MET 1 -13.122 5.088 -10.332 12 H ALA 2 H ALA 2 -16.521 6.681 -4.127 13 HA ALA 2 HA ALA 2 -14.021 7.366 -2.719 14 HB1 ALA 2 1HB ALA 2 -16.747 8.611 -2.344 15 HB2 ALA 2 2HB ALA 2 -15.376 9.356 -3.168 16 HB3 ALA 2 3HB ALA 2 -15.288 9.017 -1.439 17 H PHE 3 H PHE 3 -13.727 6.501 -0.709 18 HA PHE 3 HA PHE 3 -15.765 4.557 0.151 19 HB2 PHE 3 2HB PHE 3 -13.458 3.735 -0.589 20 HB3 PHE 3 1HB PHE 3 -12.822 4.516 0.851 21 HD1 PHE 3 2HD PHE 3 -15.479 2.092 -0.129 22 HD2 PHE 3 1HD PHE 3 -12.565 3.245 2.747 23 HE1 PHE 3 2HE PHE 3 -15.972 0.067 1.176 24 HE2 PHE 3 1HE PHE 3 -13.055 1.222 4.059 25 HZ PHE 3 HZ PHE 3 -14.759 -0.368 3.273 26 H ALA 4 H ALA 4 -15.151 4.089 2.707 27 HA ALA 4 HA ALA 4 -16.014 6.243 4.221 28 HB1 ALA 4 1HB ALA 4 -14.310 3.895 5.054 29 HB2 ALA 4 2HB ALA 4 -16.072 3.979 5.069 30 HB3 ALA 4 3HB ALA 4 -15.133 4.987 6.165 31 H GLY 5 H GLY 5 -14.828 7.460 5.872 32 HA2 GLY 5 2HA GLY 5 -12.631 8.824 4.628 33 HA3 GLY 5 1HA GLY 5 -13.363 9.215 6.177 34 H ILE 6 H ILE 6 -12.245 6.000 5.645 35 HA ILE 6 HA ILE 6 -10.240 6.096 7.657 36 HB ILE 6 HB ILE 6 -10.572 4.087 5.414 37 HG12 ILE 6 2HG1 ILE 6 -11.650 3.939 8.236 38 HG13 ILE 6 1HG1 ILE 6 -12.615 4.372 6.826 39 HG21 ILE 6 1HG2 ILE 6 -9.407 2.556 6.991 40 HG22 ILE 6 2HG2 ILE 6 -9.109 3.944 8.041 41 HG23 ILE 6 3HG2 ILE 6 -8.410 3.898 6.423 42 HD11 ILE 6 3HD1 ILE 6 -12.896 2.028 7.477 43 HD12 ILE 6 1HD1 ILE 6 -11.172 1.759 7.206 44 HD13 ILE 6 2HD1 ILE 6 -12.220 2.194 5.855 45 H LEU 7 H LEU 7 -10.320 6.330 4.177 46 HA LEU 7 HA LEU 7 -7.645 7.470 4.202 47 HB2 LEU 7 2HB LEU 7 -6.916 6.240 2.261 48 HB3 LEU 7 1HB LEU 7 -7.341 5.128 3.535 49 HG LEU 7 HG LEU 7 -8.024 4.144 1.506 50 HD11 LEU 7 1HD1 LEU 7 -9.647 3.887 3.301 51 HD12 LEU 7 2HD1 LEU 7 -10.404 3.858 1.708 52 HD13 LEU 7 3HD1 LEU 7 -10.519 5.302 2.711 53 HD21 LEU 7 3HD2 LEU 7 -9.540 5.218 -0.107 54 HD22 LEU 7 1HD2 LEU 7 -7.979 6.029 0.032 55 HD23 LEU 7 2HD2 LEU 7 -9.404 6.720 0.806 56 H ASN 8 H ASN 8 -7.273 8.990 2.590 57 HA ASN 8 HA ASN 8 -9.753 10.049 1.434 58 HB2 ASN 8 2HB ASN 8 -7.063 11.366 1.894 59 HB3 ASN 8 1HB ASN 8 -8.459 12.156 1.163 60 HD21 ASN 8 1HD2 ASN 8 -10.308 10.727 2.987 61 HD22 ASN 8 2HD2 ASN 8 -10.165 11.545 4.503 62 H ASP 9 H ASP 9 -10.112 9.550 -0.603 63 HA ASP 9 HA ASP 9 -8.308 8.221 -2.262 64 HB2 ASP 9 2HB ASP 9 -9.988 8.215 -3.866 65 HB3 ASP 9 1HB ASP 9 -10.893 8.442 -2.379 66 H ALA 10 H ALA 10 -8.940 11.606 -1.841 67 HA ALA 10 HA ALA 10 -7.544 12.603 -4.077 68 HB1 ALA 10 1HB ALA 10 -9.032 14.001 -2.760 69 HB2 ALA 10 2HB ALA 10 -7.417 14.709 -2.825 70 HB3 ALA 10 3HB ALA 10 -7.954 13.868 -1.370 71 H ASP 11 H ASP 11 -6.458 11.779 -0.802 72 HA ASP 11 HA ASP 11 -3.788 12.671 -1.168 73 HB2 ASP 11 2HB ASP 11 -5.084 10.835 0.831 74 HB3 ASP 11 1HB ASP 11 -3.344 11.098 0.826 75 H ILE 12 H ILE 12 -5.377 9.568 -1.484 76 HA ILE 12 HA ILE 12 -3.168 8.024 -2.221 77 HB ILE 12 HB ILE 12 -6.104 7.862 -2.743 78 HG12 ILE 12 2HG1 ILE 12 -5.801 5.658 -1.575 79 HG13 ILE 12 1HG1 ILE 12 -4.107 6.066 -1.354 80 HG21 ILE 12 1HG2 ILE 12 -5.124 7.109 -4.840 81 HG22 ILE 12 2HG2 ILE 12 -5.831 5.752 -3.962 82 HG23 ILE 12 3HG2 ILE 12 -4.083 5.985 -3.965 83 HD11 ILE 12 3HD1 ILE 12 -4.758 7.999 -0.011 84 HD12 ILE 12 1HD1 ILE 12 -5.381 6.491 0.656 85 HD13 ILE 12 2HD1 ILE 12 -6.454 7.574 -0.231 86 H THR 13 H THR 13 -5.418 9.920 -4.193 87 HA THR 13 HA THR 13 -4.244 9.424 -6.693 88 HB THR 13 HB THR 13 -5.769 11.874 -5.777 89 HG1 THR 13 1HG THR 13 -6.995 9.993 -5.504 90 HG21 THR 13 3HG2 THR 13 -5.298 10.797 -8.561 91 HG22 THR 13 1HG2 THR 13 -4.584 12.261 -7.885 92 HG23 THR 13 2HG2 THR 13 -6.326 12.169 -8.145 93 H ALA 14 H ALA 14 -3.530 11.811 -4.198 94 HA ALA 14 HA ALA 14 -1.848 13.489 -5.684 95 HB1 ALA 14 1HB ALA 14 -1.708 12.862 -2.736 96 HB2 ALA 14 2HB ALA 14 -2.736 14.086 -3.481 97 HB3 ALA 14 3HB ALA 14 -0.981 14.253 -3.540 98 H ALA 15 H ALA 15 -0.988 10.777 -3.527 99 HA ALA 15 HA ALA 15 1.759 10.789 -4.052 100 HB1 ALA 15 1HB ALA 15 1.782 8.544 -3.129 101 HB2 ALA 15 2HB ALA 15 0.030 8.434 -3.311 102 HB3 ALA 15 3HB ALA 15 0.729 9.592 -2.179 103 H LEU 16 H LEU 16 -0.890 9.192 -5.737 104 HA LEU 16 HA LEU 16 0.748 7.626 -7.454 105 HB2 LEU 16 2HB LEU 16 -2.138 8.461 -7.539 106 HB3 LEU 16 1HB LEU 16 -1.419 7.496 -8.814 107 HG LEU 16 HG LEU 16 -1.311 6.617 -5.940 108 HD11 LEU 16 1HD1 LEU 16 -3.460 5.996 -7.956 109 HD12 LEU 16 2HD1 LEU 16 -3.658 6.976 -6.505 110 HD13 LEU 16 3HD1 LEU 16 -3.288 5.258 -6.366 111 HD21 LEU 16 3HD2 LEU 16 -1.034 4.418 -6.942 112 HD22 LEU 16 1HD2 LEU 16 0.197 5.530 -7.542 113 HD23 LEU 16 2HD2 LEU 16 -1.190 5.116 -8.554 114 H ALA 17 H ALA 17 -0.848 10.765 -7.818 115 HA ALA 17 HA ALA 17 -0.053 11.115 -10.541 116 HB1 ALA 17 1HB ALA 17 -0.990 13.163 -8.533 117 HB2 ALA 17 2HB ALA 17 -2.026 12.228 -9.611 118 HB3 ALA 17 3HB ALA 17 -0.882 13.394 -10.279 119 H ALA 18 H ALA 18 1.540 11.470 -7.557 120 HA ALA 18 HA ALA 18 3.334 13.571 -8.241 121 HB1 ALA 18 1HB ALA 18 4.571 12.913 -6.275 122 HB2 ALA 18 2HB ALA 18 3.714 11.374 -6.210 123 HB3 ALA 18 3HB ALA 18 2.845 12.879 -5.913 124 H CYS 19 H CYS 19 3.270 10.127 -8.682 125 HA CYS 19 HA CYS 19 5.914 10.247 -9.973 126 HB2 CYS 19 2HB CYS 19 4.859 7.942 -8.327 127 HB3 CYS 19 1HB CYS 19 6.464 8.093 -9.034 128 HG CYS 19 HG CYS 19 7.465 8.925 -6.826 129 H LYS 20 H LYS 20 3.556 10.557 -11.394 130 HA LYS 20 HA LYS 20 2.625 8.034 -12.389 131 HB2 LYS 20 2HB LYS 20 1.267 9.505 -13.879 132 HB3 LYS 20 1HB LYS 20 1.028 9.792 -12.169 133 HG2 LYS 20 2HG LYS 20 2.490 11.745 -12.303 134 HG3 LYS 20 1HG LYS 20 2.728 11.448 -14.026 135 HD2 LYS 20 2HD LYS 20 0.333 11.761 -14.407 136 HD3 LYS 20 1HD LYS 20 0.095 12.049 -12.683 137 HE2 LYS 20 2HE LYS 20 1.553 14.005 -12.805 138 HE3 LYS 20 1HE LYS 20 1.802 13.717 -14.527 139 HZ1 LYS 20 3HZ LYS 20 -0.811 14.317 -13.250 140 HZ2 LYS 20 1HZ LYS 20 -0.543 14.084 -14.901 141 HZ3 LYS 20 2HZ LYS 20 0.129 15.420 -14.117 142 H ALA 21 H ALA 21 5.210 7.887 -12.874 143 HA ALA 21 HA ALA 21 5.367 7.934 -15.764 144 HB1 ALA 21 1HB ALA 21 7.472 9.167 -15.852 145 HB2 ALA 21 2HB ALA 21 7.387 9.449 -14.113 146 HB3 ALA 21 3HB ALA 21 6.183 10.167 -15.183 147 H GLU 22 H GLU 22 6.643 6.328 -16.540 148 HA GLU 22 HA GLU 22 7.424 4.226 -14.867 149 HB2 GLU 22 2HB GLU 22 8.388 4.829 -17.670 150 HB3 GLU 22 1HB GLU 22 8.578 3.296 -16.838 151 HG2 GLU 22 2HG GLU 22 6.770 2.906 -18.206 152 HG3 GLU 22 1HG GLU 22 6.003 3.327 -16.677 153 H GLY 23 H GLY 23 9.104 3.976 -13.597 154 HA2 GLY 23 2HA GLY 23 11.429 3.998 -13.117 155 HA3 GLY 23 1HA GLY 23 11.619 5.358 -14.218 156 H SER 24 H SER 24 8.913 6.080 -12.610 157 HA SER 24 HA SER 24 10.416 7.598 -10.591 158 HB2 SER 24 2HB SER 24 9.571 8.967 -12.492 159 HB3 SER 24 1HB SER 24 7.928 8.500 -12.054 160 HG SER 24 HG SER 24 9.127 9.401 -9.858 161 H PHE 25 H PHE 25 7.870 5.359 -11.082 162 HA PHE 25 HA PHE 25 6.034 6.132 -9.128 163 HB2 PHE 25 2HB PHE 25 6.718 3.494 -10.353 164 HB3 PHE 25 1HB PHE 25 5.614 3.553 -8.979 165 HD1 PHE 25 2HD PHE 25 3.460 4.692 -9.173 166 HD2 PHE 25 1HD PHE 25 6.070 4.302 -12.509 167 HE1 PHE 25 2HE PHE 25 1.607 5.265 -10.686 168 HE2 PHE 25 1HE PHE 25 4.224 4.875 -14.026 169 HZ PHE 25 HZ PHE 25 1.987 5.356 -13.118 170 H ASP 26 H ASP 26 6.178 6.343 -7.037 171 HA ASP 26 HA ASP 26 8.280 4.886 -5.593 172 HB2 ASP 26 2HB ASP 26 6.810 7.450 -5.016 173 HB3 ASP 26 1HB ASP 26 7.719 6.606 -3.771 174 H HIS 27 H HIS 27 7.254 2.941 -5.206 175 HA HIS 27 HA HIS 27 4.618 2.628 -4.308 176 HB2 HIS 27 2HB HIS 27 5.145 0.359 -3.870 177 HB3 HIS 27 1HB HIS 27 6.183 0.823 -5.205 178 HD1 HIS 27 1HD HIS 27 8.729 0.920 -4.769 179 HD2 HIS 27 2HD HIS 27 6.477 -0.294 -1.495 180 HE1 HIS 27 1HE HIS 27 10.376 -0.054 -3.142 181 HE2 HIS 27 2HE HIS 27 8.975 -0.913 -1.233 182 H LYS 28 H LYS 28 7.559 3.252 -2.640 183 HA LYS 28 HA LYS 28 6.567 2.651 -0.024 184 HB2 LYS 28 2HB LYS 28 8.936 2.466 -0.810 185 HB3 LYS 28 1HB LYS 28 8.974 4.222 -0.900 186 HG2 LYS 28 2HG LYS 28 8.698 4.430 1.470 187 HG3 LYS 28 1HG LYS 28 8.462 2.690 1.635 188 HD2 LYS 28 2HD LYS 28 10.741 2.300 0.845 189 HD3 LYS 28 1HD LYS 28 10.977 4.038 0.660 190 HE2 LYS 28 2HE LYS 28 10.699 4.365 3.040 191 HE3 LYS 28 1HE LYS 28 10.331 2.654 3.261 192 HZ1 LYS 28 3HZ LYS 28 12.915 3.719 2.260 193 HZ2 LYS 28 1HZ LYS 28 12.554 2.097 2.571 194 HZ3 LYS 28 2HZ LYS 28 12.627 3.206 3.843 195 H ALA 29 H ALA 29 7.450 5.632 -1.771 196 HA ALA 29 HA ALA 29 6.613 7.469 0.136 197 HB1 ALA 29 1HB ALA 29 6.389 7.809 -2.849 198 HB2 ALA 29 2HB ALA 29 7.868 8.045 -1.921 199 HB3 ALA 29 3HB ALA 29 6.474 9.088 -1.640 200 H PHE 30 H PHE 30 4.777 5.663 -2.253 201 HA PHE 30 HA PHE 30 2.333 6.972 -2.038 202 HB2 PHE 30 2HB PHE 30 2.722 5.273 -3.736 203 HB3 PHE 30 1HB PHE 30 2.888 4.031 -2.500 204 HD1 PHE 30 2HD PHE 30 0.475 6.459 -3.931 205 HD2 PHE 30 1HD PHE 30 1.024 2.838 -1.766 206 HE1 PHE 30 2HE PHE 30 -1.944 6.023 -4.053 207 HE2 PHE 30 1HE PHE 30 -1.393 2.394 -1.886 208 HZ PHE 30 HZ PHE 30 -2.880 3.988 -3.029 209 H PHE 31 H PHE 31 3.370 4.039 -0.215 210 HA PHE 31 HA PHE 31 1.010 3.926 1.309 211 HB2 PHE 31 2HB PHE 31 1.984 2.193 2.554 212 HB3 PHE 31 1HB PHE 31 2.729 2.093 0.985 213 HD1 PHE 31 1HD PHE 31 3.490 3.725 4.255 214 HD2 PHE 31 2HD PHE 31 4.883 1.528 0.898 215 HE1 PHE 31 1HE PHE 31 5.710 3.554 5.297 216 HE2 PHE 31 2HE PHE 31 7.110 1.366 1.920 217 HZ PHE 31 HZ PHE 31 7.530 2.381 4.125 218 H THR 32 H THR 32 3.951 5.652 1.805 219 HA THR 32 HA THR 32 3.363 6.126 4.584 220 HB THR 32 HB THR 32 5.576 5.480 3.730 221 HG1 THR 32 1HG THR 32 5.045 7.667 5.380 222 HG21 THR 32 3HG2 THR 32 5.550 6.803 1.685 223 HG22 THR 32 1HG2 THR 32 6.981 7.173 2.651 224 HG23 THR 32 2HG2 THR 32 5.614 8.293 2.628 225 H LYS 33 H LYS 33 3.261 7.899 1.587 226 HA LYS 33 HA LYS 33 2.818 10.464 2.836 227 HB2 LYS 33 2HB LYS 33 3.892 10.245 0.651 228 HB3 LYS 33 1HB LYS 33 2.444 9.503 -0.000 229 HG2 LYS 33 2HG LYS 33 1.220 11.612 0.459 230 HG3 LYS 33 1HG LYS 33 2.756 12.343 0.934 231 HD2 LYS 33 2HD LYS 33 2.216 11.081 -1.754 232 HD3 LYS 33 1HD LYS 33 2.112 12.816 -1.423 233 HE2 LYS 33 2HE LYS 33 4.480 12.807 -0.757 234 HE3 LYS 33 1HE LYS 33 4.569 11.088 -1.134 235 HZ1 LYS 33 3HZ LYS 33 5.425 12.417 -2.947 236 HZ2 LYS 33 1HZ LYS 33 3.966 13.261 -3.061 237 HZ3 LYS 33 2HZ LYS 33 4.020 11.614 -3.432 238 H VAL 34 H VAL 34 1.016 7.817 1.612 239 HA VAL 34 HA VAL 34 -1.540 9.104 1.584 240 HB VAL 34 HB VAL 34 -0.377 6.520 0.887 241 HG11 VAL 34 1HG1 VAL 34 -3.190 6.538 1.937 242 HG12 VAL 34 2HG1 VAL 34 -1.807 5.692 2.635 243 HG13 VAL 34 3HG1 VAL 34 -2.423 5.219 1.051 244 HG21 VAL 34 3HG2 VAL 34 -1.099 8.113 -0.763 245 HG22 VAL 34 1HG2 VAL 34 -2.742 8.075 -0.125 246 HG23 VAL 34 2HG2 VAL 34 -2.061 6.641 -0.893 247 H GLY 35 H GLY 35 0.280 7.108 3.840 248 HA2 GLY 35 2HA GLY 35 -0.106 7.184 6.195 249 HA3 GLY 35 1HA GLY 35 -1.779 7.612 5.875 250 H LEU 36 H LEU 36 -0.465 5.140 3.930 251 HA LEU 36 HA LEU 36 -2.454 3.305 4.859 252 HB2 LEU 36 2HB LEU 36 -1.473 3.634 2.468 253 HB3 LEU 36 1HB LEU 36 -0.199 2.567 3.021 254 HG LEU 36 HG LEU 36 -2.015 0.886 3.583 255 HD11 LEU 36 1HD1 LEU 36 -3.891 2.456 3.606 256 HD12 LEU 36 2HD1 LEU 36 -4.153 1.145 2.458 257 HD13 LEU 36 3HD1 LEU 36 -3.672 2.740 1.880 258 HD21 LEU 36 3HD2 LEU 36 -2.223 0.114 1.289 259 HD22 LEU 36 1HD2 LEU 36 -0.586 0.685 1.609 260 HD23 LEU 36 2HD2 LEU 36 -1.708 1.694 0.695 261 H ALA 37 H ALA 37 0.719 4.021 5.781 262 HA ALA 37 HA ALA 37 1.515 1.388 6.593 263 HB1 ALA 37 1HB ALA 37 2.688 4.034 7.417 264 HB2 ALA 37 2HB ALA 37 3.112 3.161 5.946 265 HB3 ALA 37 3HB ALA 37 3.456 2.450 7.524 266 H ALA 38 H ALA 38 -0.706 3.507 7.826 267 HA ALA 38 HA ALA 38 -0.392 2.400 10.538 268 HB1 ALA 38 1HB ALA 38 -0.057 4.822 10.490 269 HB2 ALA 38 2HB ALA 38 -1.510 4.392 11.393 270 HB3 ALA 38 3HB ALA 38 -1.646 5.029 9.754 271 H LYS 39 H LYS 39 -1.793 1.233 8.229 272 HA LYS 39 HA LYS 39 -4.616 1.513 8.829 273 HB2 LYS 39 2HB LYS 39 -3.189 -0.411 6.992 274 HB3 LYS 39 1HB LYS 39 -4.931 -0.204 7.081 275 HG2 LYS 39 2HG LYS 39 -2.969 1.927 6.233 276 HG3 LYS 39 1HG LYS 39 -3.875 0.896 5.132 277 HD2 LYS 39 2HD LYS 39 -5.226 2.735 5.137 278 HD3 LYS 39 1HD LYS 39 -5.930 1.853 6.489 279 HE2 LYS 39 2HE LYS 39 -4.578 3.191 8.044 280 HE3 LYS 39 1HE LYS 39 -3.906 4.081 6.680 281 HZ1 LYS 39 3HZ LYS 39 -6.089 4.902 6.152 282 HZ2 LYS 39 1HZ LYS 39 -5.730 5.262 7.765 283 HZ3 LYS 39 2HZ LYS 39 -6.782 3.991 7.397 284 H SER 40 H SER 40 -5.823 0.175 10.031 285 HA SER 40 HA SER 40 -4.565 -1.672 11.798 286 HB2 SER 40 2HB SER 40 -7.516 -1.332 11.211 287 HB3 SER 40 1HB SER 40 -6.804 -2.052 12.655 288 HG SER 40 HG SER 40 -5.783 0.403 12.265 289 HA PRO 41 HA PRO 41 -4.438 -5.560 9.746 290 HB2 PRO 41 2HB PRO 41 -6.438 -6.521 11.756 291 HB3 PRO 41 1HB PRO 41 -4.934 -7.279 11.216 292 HG2 PRO 41 2HG PRO 41 -5.022 -5.994 13.533 293 HG3 PRO 41 1HG PRO 41 -3.605 -5.849 12.477 294 HD2 PRO 41 2HD PRO 41 -5.769 -3.883 13.029 295 HD3 PRO 41 1HD PRO 41 -4.061 -3.606 12.635 296 H ALA 42 H ALA 42 -7.811 -5.059 10.862 297 HA ALA 42 HA ALA 42 -8.930 -6.489 8.674 298 HB1 ALA 42 1HB ALA 42 -10.091 -6.257 10.810 299 HB2 ALA 42 2HB ALA 42 -11.078 -5.671 9.472 300 HB3 ALA 42 3HB ALA 42 -10.260 -4.524 10.531 301 H ASP 43 H ASP 43 -8.012 -3.190 9.157 302 HA ASP 43 HA ASP 43 -9.496 -2.140 6.948 303 HB2 ASP 43 2HB ASP 43 -8.694 -0.796 8.924 304 HB3 ASP 43 1HB ASP 43 -7.063 -0.940 8.280 305 H ILE 44 H ILE 44 -6.198 -3.276 7.491 306 HA ILE 44 HA ILE 44 -5.298 -2.945 4.824 307 HB ILE 44 HB ILE 44 -4.417 -4.581 7.161 308 HG12 ILE 44 2HG1 ILE 44 -3.679 -2.294 7.037 309 HG13 ILE 44 1HG1 ILE 44 -2.300 -3.358 6.786 310 HG21 ILE 44 1HG2 ILE 44 -2.585 -5.587 5.880 311 HG22 ILE 44 2HG2 ILE 44 -3.283 -4.946 4.392 312 HG23 ILE 44 3HG2 ILE 44 -4.162 -6.156 5.328 313 HD11 ILE 44 3HD1 ILE 44 -2.550 -2.987 4.339 314 HD12 ILE 44 1HD1 ILE 44 -2.130 -1.544 5.263 315 HD13 ILE 44 2HD1 ILE 44 -3.784 -1.781 4.705 316 H LYS 45 H LYS 45 -7.389 -5.243 6.362 317 HA LYS 45 HA LYS 45 -7.215 -7.279 4.392 318 HB2 LYS 45 2HB LYS 45 -8.114 -7.681 6.659 319 HB3 LYS 45 1HB LYS 45 -9.497 -6.668 6.280 320 HG2 LYS 45 2HG LYS 45 -10.066 -9.023 6.114 321 HG3 LYS 45 1HG LYS 45 -10.185 -8.234 4.542 322 HD2 LYS 45 2HD LYS 45 -9.129 -10.370 4.250 323 HD3 LYS 45 1HD LYS 45 -7.925 -9.111 3.990 324 HE2 LYS 45 2HE LYS 45 -6.932 -10.856 5.300 325 HE3 LYS 45 1HE LYS 45 -7.157 -9.445 6.331 326 HZ1 LYS 45 3HZ LYS 45 -9.172 -10.478 7.210 327 HZ2 LYS 45 1HZ LYS 45 -7.817 -11.453 7.471 328 HZ3 LYS 45 2HZ LYS 45 -8.911 -11.837 6.242 329 H LYS 46 H LYS 46 -9.300 -4.402 4.731 330 HA LYS 46 HA LYS 46 -10.695 -5.049 2.308 331 HB2 LYS 46 2HB LYS 46 -11.675 -2.832 2.405 332 HB3 LYS 46 1HB LYS 46 -11.771 -3.610 3.967 333 HG2 LYS 46 2HG LYS 46 -11.252 -1.386 4.411 334 HG3 LYS 46 1HG LYS 46 -9.736 -2.256 4.615 335 HD2 LYS 46 2HD LYS 46 -9.271 -0.224 3.448 336 HD3 LYS 46 1HD LYS 46 -9.105 -1.550 2.303 337 HE2 LYS 46 2HE LYS 46 -11.629 0.069 2.549 338 HE3 LYS 46 1HE LYS 46 -10.304 0.544 1.493 339 HZ1 LYS 46 3HZ LYS 46 -12.097 -1.788 1.272 340 HZ2 LYS 46 1HZ LYS 46 -10.568 -1.818 0.545 341 HZ3 LYS 46 2HZ LYS 46 -11.691 -0.638 0.106 342 H VAL 47 H VAL 47 -7.714 -3.535 3.114 343 HA VAL 47 HA VAL 47 -7.191 -2.382 0.570 344 HB VAL 47 HB VAL 47 -5.246 -3.395 2.662 345 HG11 VAL 47 1HG1 VAL 47 -4.181 -3.298 0.474 346 HG12 VAL 47 2HG1 VAL 47 -3.577 -2.010 1.517 347 HG13 VAL 47 3HG1 VAL 47 -4.754 -1.645 0.255 348 HG21 VAL 47 3HG2 VAL 47 -6.272 -0.624 2.056 349 HG22 VAL 47 1HG2 VAL 47 -5.000 -1.006 3.215 350 HG23 VAL 47 2HG2 VAL 47 -6.642 -1.591 3.484 351 H PHE 48 H PHE 48 -6.723 -5.593 1.976 352 HA PHE 48 HA PHE 48 -5.550 -6.947 -0.122 353 HB2 PHE 48 2HB PHE 48 -5.953 -8.477 1.500 354 HB3 PHE 48 1HB PHE 48 -7.392 -7.644 2.061 355 HD1 PHE 48 1HD PHE 48 -6.290 -9.695 -0.882 356 HD2 PHE 48 2HD PHE 48 -9.384 -8.749 1.883 357 HE1 PHE 48 1HE PHE 48 -7.703 -11.445 -1.870 358 HE2 PHE 48 2HE PHE 48 -10.800 -10.496 0.897 359 HZ PHE 48 HZ PHE 48 -9.963 -11.848 -0.981 360 H GLU 49 H GLU 49 -8.980 -6.186 0.314 361 HA GLU 49 HA GLU 49 -9.882 -7.254 -2.121 362 HB2 GLU 49 2HB GLU 49 -11.055 -4.904 -0.622 363 HB3 GLU 49 1HB GLU 49 -11.898 -5.968 -1.743 364 HG2 GLU 49 2HG GLU 49 -11.539 -7.847 -0.212 365 HG3 GLU 49 1HG GLU 49 -10.728 -6.763 0.913 366 H ILE 50 H ILE 50 -8.185 -4.349 -1.388 367 HA ILE 50 HA ILE 50 -8.782 -2.962 -3.800 368 HB ILE 50 HB ILE 50 -6.464 -2.620 -1.899 369 HG12 ILE 50 2HG1 ILE 50 -9.088 -1.135 -2.156 370 HG13 ILE 50 1HG1 ILE 50 -8.669 -2.267 -0.873 371 HG21 ILE 50 1HG2 ILE 50 -6.414 -0.300 -2.922 372 HG22 ILE 50 2HG2 ILE 50 -7.394 -0.972 -4.229 373 HG23 ILE 50 3HG2 ILE 50 -5.786 -1.618 -3.906 374 HD11 ILE 50 3HD1 ILE 50 -8.383 -0.107 0.016 375 HD12 ILE 50 1HD1 ILE 50 -7.505 0.443 -1.413 376 HD13 ILE 50 2HD1 ILE 50 -6.759 -0.719 -0.314 377 H ILE 51 H ILE 51 -5.791 -4.819 -2.844 378 HA ILE 51 HA ILE 51 -4.717 -4.618 -5.486 379 HB ILE 51 HB ILE 51 -3.240 -6.673 -4.795 380 HG12 ILE 51 2HG1 ILE 51 -4.954 -6.909 -2.695 381 HG13 ILE 51 1HG1 ILE 51 -3.277 -7.443 -2.615 382 HG21 ILE 51 1HG2 ILE 51 -3.036 -4.009 -3.384 383 HG22 ILE 51 2HG2 ILE 51 -2.420 -4.421 -4.987 384 HG23 ILE 51 3HG2 ILE 51 -1.732 -5.189 -3.552 385 HD11 ILE 51 3HD1 ILE 51 -2.695 -5.252 -1.607 386 HD12 ILE 51 1HD1 ILE 51 -3.808 -6.214 -0.637 387 HD13 ILE 51 2HD1 ILE 51 -4.414 -4.851 -1.580 388 H ASP 52 H ASP 52 -6.850 -6.823 -3.866 389 HA ASP 52 HA ASP 52 -6.876 -8.692 -6.071 390 HB2 ASP 52 2HB ASP 52 -7.404 -9.191 -3.548 391 HB3 ASP 52 1HB ASP 52 -8.994 -8.571 -3.938 392 H GLN 53 H GLN 53 -7.430 -6.929 -7.680 393 HA GLN 53 HA GLN 53 -9.711 -5.331 -7.516 394 HB2 GLN 53 2HB GLN 53 -7.960 -4.940 -9.193 395 HB3 GLN 53 1HB GLN 53 -8.384 -6.447 -9.997 396 HG2 GLN 53 2HG GLN 53 -10.567 -5.564 -10.559 397 HG3 GLN 53 1HG GLN 53 -10.205 -4.072 -9.695 398 HE21 GLN 53 1HE2 GLN 53 -10.544 -2.858 -11.549 399 HE22 GLN 53 2HE2 GLN 53 -9.398 -2.821 -12.842 400 H ASP 54 H ASP 54 -9.302 -8.594 -8.679 401 HA ASP 54 HA ASP 54 -12.054 -8.856 -9.539 402 HB2 ASP 54 2HB ASP 54 -9.815 -10.859 -9.293 403 HB3 ASP 54 1HB ASP 54 -11.429 -11.282 -9.850 404 H LYS 55 H LYS 55 -10.326 -9.358 -6.578 405 HA LYS 55 HA LYS 55 -11.041 -9.930 -4.512 406 HB2 LYS 55 2HB LYS 55 -12.559 -8.164 -4.737 407 HB3 LYS 55 1HB LYS 55 -13.612 -9.068 -5.814 408 HG2 LYS 55 2HG LYS 55 -14.693 -8.852 -3.703 409 HG3 LYS 55 1HG LYS 55 -14.205 -10.533 -3.894 410 HD2 LYS 55 2HD LYS 55 -12.233 -10.092 -2.481 411 HD3 LYS 55 1HD LYS 55 -12.794 -8.432 -2.252 412 HE2 LYS 55 2HE LYS 55 -14.894 -9.320 -1.293 413 HE3 LYS 55 1HE LYS 55 -14.243 -10.949 -1.437 414 HZ1 LYS 55 3HZ LYS 55 -12.383 -10.185 0.014 415 HZ2 LYS 55 1HZ LYS 55 -13.893 -10.229 0.770 416 HZ3 LYS 55 2HZ LYS 55 -13.246 -8.747 0.277 417 H SER 56 H SER 56 -10.286 -12.105 -5.279 418 HA SER 56 HA SER 56 -12.361 -14.028 -4.556 419 HB2 SER 56 2HB SER 56 -11.547 -15.615 -6.317 420 HB3 SER 56 1HB SER 56 -12.360 -14.190 -6.960 421 HG SER 56 HG SER 56 -10.172 -14.959 -7.829 422 H ASP 57 H ASP 57 -9.874 -12.733 -3.426 423 HA ASP 57 HA ASP 57 -8.539 -13.339 -1.684 424 HB2 ASP 57 2HB ASP 57 -10.165 -15.291 -1.403 425 HB3 ASP 57 1HB ASP 57 -8.993 -16.254 -2.293 426 H PHE 58 H PHE 58 -8.077 -13.960 -4.853 427 HA PHE 58 HA PHE 58 -5.214 -14.504 -4.430 428 HB2 PHE 58 2HB PHE 58 -7.014 -15.389 -6.687 429 HB3 PHE 58 1HB PHE 58 -5.259 -15.390 -6.822 430 HD1 PHE 58 2HD PHE 58 -3.914 -16.885 -5.412 431 HD2 PHE 58 1HD PHE 58 -8.164 -17.060 -5.446 432 HE1 PHE 58 2HE PHE 58 -3.824 -19.111 -4.371 433 HE2 PHE 58 1HE PHE 58 -8.084 -19.287 -4.404 434 HZ PHE 58 HZ PHE 58 -5.912 -20.313 -3.868 435 H VAL 59 H VAL 59 -3.954 -12.839 -4.945 436 HA VAL 59 HA VAL 59 -5.102 -10.697 -6.598 437 HB VAL 59 HB VAL 59 -2.889 -10.599 -4.562 438 HG11 VAL 59 1HG1 VAL 59 -2.764 -8.969 -6.461 439 HG12 VAL 59 2HG1 VAL 59 -2.767 -8.326 -4.823 440 HG13 VAL 59 3HG1 VAL 59 -4.237 -8.260 -5.795 441 HG21 VAL 59 3HG2 VAL 59 -5.041 -10.994 -3.528 442 HG22 VAL 59 1HG2 VAL 59 -5.713 -9.621 -4.403 443 HG23 VAL 59 2HG2 VAL 59 -4.467 -9.362 -3.182 444 H GLU 60 H GLU 60 -4.479 -11.259 -8.662 445 HA GLU 60 HA GLU 60 -1.689 -11.975 -9.144 446 HB2 GLU 60 2HB GLU 60 -4.095 -11.986 -10.962 447 HB3 GLU 60 1HB GLU 60 -2.468 -12.420 -11.474 448 HG2 GLU 60 2HG GLU 60 -2.443 -14.234 -9.833 449 HG3 GLU 60 1HG GLU 60 -4.083 -13.808 -9.348 450 H GLU 61 H GLU 61 -0.898 -11.049 -11.422 451 HA GLU 61 HA GLU 61 -0.385 -8.320 -10.836 452 HB2 GLU 61 2HB GLU 61 1.434 -9.413 -11.762 453 HB3 GLU 61 1HB GLU 61 0.465 -10.185 -13.007 454 HG2 GLU 61 2HG GLU 61 0.490 -8.349 -14.368 455 HG3 GLU 61 1HG GLU 61 0.720 -7.217 -13.039 456 H ASP 62 H ASP 62 -2.379 -9.905 -13.323 457 HA ASP 62 HA ASP 62 -2.900 -7.609 -14.851 458 HB2 ASP 62 2HB ASP 62 -4.917 -8.754 -15.655 459 HB3 ASP 62 1HB ASP 62 -3.532 -9.844 -15.643 460 H GLU 63 H GLU 63 -4.253 -8.801 -11.879 461 HA GLU 63 HA GLU 63 -6.285 -6.851 -11.587 462 HB2 GLU 63 2HB GLU 63 -4.742 -8.415 -9.514 463 HB3 GLU 63 1HB GLU 63 -6.190 -7.465 -9.190 464 HG2 GLU 63 2HG GLU 63 -7.427 -8.879 -10.767 465 HG3 GLU 63 1HG GLU 63 -5.985 -9.873 -10.970 466 H LEU 64 H LEU 64 -3.016 -7.107 -10.220 467 HA LEU 64 HA LEU 64 -3.064 -4.697 -8.851 468 HB2 LEU 64 2HB LEU 64 -0.939 -6.548 -9.740 469 HB3 LEU 64 1HB LEU 64 -0.475 -4.960 -9.153 470 HG LEU 64 HG LEU 64 -2.410 -6.196 -7.402 471 HD11 LEU 64 1HD1 LEU 64 -0.907 -7.934 -6.531 472 HD12 LEU 64 2HD1 LEU 64 0.150 -7.681 -7.917 473 HD13 LEU 64 3HD1 LEU 64 -1.490 -8.274 -8.157 474 HD21 LEU 64 3HD2 LEU 64 -0.754 -5.593 -5.734 475 HD22 LEU 64 1HD2 LEU 64 -1.010 -4.263 -6.865 476 HD23 LEU 64 2HD2 LEU 64 0.429 -5.276 -7.001 477 H LYS 65 H LYS 65 -2.616 -5.292 -12.207 478 HA LYS 65 HA LYS 65 -1.317 -2.877 -12.808 479 HB2 LYS 65 2HB LYS 65 -1.928 -5.006 -14.302 480 HB3 LYS 65 1HB LYS 65 -3.291 -3.979 -14.732 481 HG2 LYS 65 2HG LYS 65 -1.911 -3.207 -16.301 482 HG3 LYS 65 1HG LYS 65 -1.283 -2.219 -14.987 483 HD2 LYS 65 2HD LYS 65 -0.100 -4.634 -16.279 484 HD3 LYS 65 1HD LYS 65 0.634 -3.090 -15.866 485 HE2 LYS 65 2HE LYS 65 0.600 -3.705 -13.506 486 HE3 LYS 65 1HE LYS 65 -0.090 -5.273 -13.936 487 HZ1 LYS 65 3HZ LYS 65 2.227 -5.608 -13.735 488 HZ2 LYS 65 1HZ LYS 65 2.588 -4.219 -14.642 489 HZ3 LYS 65 2HZ LYS 65 1.914 -5.571 -15.395 490 H LEU 66 H LEU 66 -4.740 -3.788 -12.701 491 HA LEU 66 HA LEU 66 -5.444 -0.972 -13.110 492 HB2 LEU 66 2HB LEU 66 -7.206 -3.401 -13.377 493 HB3 LEU 66 1HB LEU 66 -7.609 -1.752 -13.834 494 HG LEU 66 HG LEU 66 -5.562 -3.550 -15.120 495 HD11 LEU 66 1HD1 LEU 66 -7.834 -3.982 -15.821 496 HD12 LEU 66 2HD1 LEU 66 -6.932 -3.209 -17.122 497 HD13 LEU 66 3HD1 LEU 66 -8.079 -2.270 -16.166 498 HD21 LEU 66 3HD2 LEU 66 -6.140 -0.659 -15.727 499 HD22 LEU 66 1HD2 LEU 66 -5.000 -1.704 -16.573 500 HD23 LEU 66 2HD2 LEU 66 -4.706 -1.254 -14.887 501 H PHE 67 H PHE 67 -4.982 -2.983 -10.590 502 HA PHE 67 HA PHE 67 -7.339 -2.815 -9.064 503 HB2 PHE 67 2HB PHE 67 -6.143 -3.786 -7.375 504 HB3 PHE 67 1HB PHE 67 -5.021 -4.101 -8.686 505 HD1 PHE 67 1HD PHE 67 -2.931 -2.803 -8.860 506 HD2 PHE 67 2HD PHE 67 -5.614 -2.277 -5.616 507 HE1 PHE 67 1HE PHE 67 -1.154 -1.688 -7.582 508 HE2 PHE 67 2HE PHE 67 -3.845 -1.148 -4.329 509 HZ PHE 67 HZ PHE 67 -1.611 -0.854 -5.312 510 H LEU 68 H LEU 68 -4.771 -0.593 -9.684 511 HA LEU 68 HA LEU 68 -5.213 1.246 -7.591 512 HB2 LEU 68 2HB LEU 68 -4.147 1.989 -10.298 513 HB3 LEU 68 1HB LEU 68 -3.708 2.651 -8.733 514 HG LEU 68 HG LEU 68 -3.086 -0.141 -8.764 515 HD11 LEU 68 1HD1 LEU 68 -1.432 -0.196 -10.534 516 HD12 LEU 68 2HD1 LEU 68 -1.874 1.437 -11.026 517 HD13 LEU 68 3HD1 LEU 68 -3.035 0.118 -11.211 518 HD21 LEU 68 3HD2 LEU 68 -1.277 2.270 -8.758 519 HD22 LEU 68 1HD2 LEU 68 -0.882 0.644 -8.196 520 HD23 LEU 68 2HD2 LEU 68 -2.084 1.609 -7.335 521 H GLN 69 H GLN 69 -6.338 1.057 -10.928 522 HA GLN 69 HA GLN 69 -7.817 3.502 -10.786 523 HB2 GLN 69 2HB GLN 69 -8.039 1.265 -12.810 524 HB3 GLN 69 1HB GLN 69 -8.638 2.908 -13.001 525 HG2 GLN 69 2HG GLN 69 -6.276 3.703 -12.793 526 HG3 GLN 69 1HG GLN 69 -5.770 2.015 -12.839 527 HE21 GLN 69 1HE2 GLN 69 -6.006 0.852 -14.757 528 HE22 GLN 69 2HE2 GLN 69 -6.221 1.637 -16.281 529 H ASN 70 H ASN 70 -8.288 0.428 -9.600 530 HA ASN 70 HA ASN 70 -11.205 0.606 -9.554 531 HB2 ASN 70 2HB ASN 70 -10.167 -1.598 -9.881 532 HB3 ASN 70 1HB ASN 70 -9.300 -1.428 -8.361 533 HD21 ASN 70 1HD2 ASN 70 -12.651 -0.476 -8.872 534 HD22 ASN 70 2HD2 ASN 70 -13.331 -1.678 -7.834 535 H PHE 71 H PHE 71 -8.405 1.040 -7.533 536 HA PHE 71 HA PHE 71 -9.785 1.406 -5.066 537 HB2 PHE 71 2HB PHE 71 -7.411 0.737 -5.229 538 HB3 PHE 71 1HB PHE 71 -7.023 2.310 -5.907 539 HD1 PHE 71 1HD PHE 71 -9.428 1.898 -3.146 540 HD2 PHE 71 2HD PHE 71 -5.425 2.853 -4.231 541 HE1 PHE 71 1HE PHE 71 -9.026 2.773 -0.885 542 HE2 PHE 71 2HE PHE 71 -5.018 3.726 -1.972 543 HZ PHE 71 HZ PHE 71 -6.818 3.688 -0.295 544 H SER 72 H SER 72 -8.299 3.667 -7.396 545 HA SER 72 HA SER 72 -10.175 5.731 -6.514 546 HB2 SER 72 2HB SER 72 -7.178 6.127 -6.675 547 HB3 SER 72 1HB SER 72 -8.358 7.405 -6.384 548 HG SER 72 HG SER 72 -8.789 5.397 -4.668 549 H ALA 73 H ALA 73 -10.494 7.421 -8.034 550 HA ALA 73 HA ALA 73 -10.426 6.416 -10.728 551 HB1 ALA 73 1HB ALA 73 -11.485 9.039 -9.690 552 HB2 ALA 73 2HB ALA 73 -12.406 7.540 -9.810 553 HB3 ALA 73 3HB ALA 73 -11.811 8.329 -11.270 554 H GLY 74 H GLY 74 -8.537 8.614 -8.869 555 HA2 GLY 74 2HA GLY 74 -7.349 9.783 -11.282 556 HA3 GLY 74 1HA GLY 74 -7.083 10.327 -9.632 557 H ALA 75 H ALA 75 -6.946 6.952 -10.406 558 HA ALA 75 HA ALA 75 -4.123 6.968 -9.664 559 HB1 ALA 75 1HB ALA 75 -4.374 4.596 -9.278 560 HB2 ALA 75 2HB ALA 75 -6.006 4.635 -9.947 561 HB3 ALA 75 3HB ALA 75 -5.649 5.483 -8.443 562 H ARG 76 H ARG 76 -2.550 5.872 -10.853 563 HA ARG 76 HA ARG 76 -3.151 5.628 -13.702 564 HB2 ARG 76 2HB ARG 76 -0.439 5.961 -12.415 565 HB3 ARG 76 1HB ARG 76 -0.827 6.102 -14.121 566 HG2 ARG 76 2HG ARG 76 -1.714 7.977 -11.937 567 HG3 ARG 76 1HG ARG 76 -0.461 8.285 -13.139 568 HD2 ARG 76 2HD ARG 76 -3.390 7.829 -13.704 569 HD3 ARG 76 1HD ARG 76 -2.562 9.385 -13.732 570 HE ARG 76 HE ARG 76 -1.129 8.042 -15.519 571 HH11 ARG 76 1HH1 ARG 76 -4.595 8.233 -15.088 572 HH12 ARG 76 2HH1 ARG 76 -4.945 8.008 -16.771 573 HH21 ARG 76 1HH2 ARG 76 -1.581 7.749 -17.740 574 HH22 ARG 76 2HH2 ARG 76 -3.231 7.728 -18.282 575 H ALA 77 H ALA 77 -2.714 3.714 -14.758 576 HA ALA 77 HA ALA 77 -2.163 1.394 -13.141 577 HB1 ALA 77 1HB ALA 77 -2.478 0.108 -15.170 578 HB2 ALA 77 2HB ALA 77 -2.434 1.582 -16.139 579 HB3 ALA 77 3HB ALA 77 -3.765 1.307 -15.018 580 H LEU 78 H LEU 78 -0.256 0.520 -12.770 581 HA LEU 78 HA LEU 78 2.131 1.751 -13.783 582 HB2 LEU 78 2HB LEU 78 1.608 -0.546 -11.919 583 HB3 LEU 78 1HB LEU 78 3.226 -0.164 -12.459 584 HG LEU 78 HG LEU 78 3.049 2.066 -11.424 585 HD11 LEU 78 1HD1 LEU 78 0.637 2.384 -11.552 586 HD12 LEU 78 2HD1 LEU 78 1.215 2.566 -9.895 587 HD13 LEU 78 3HD1 LEU 78 0.396 1.083 -10.386 588 HD21 LEU 78 3HD2 LEU 78 3.142 1.299 -9.099 589 HD22 LEU 78 1HD2 LEU 78 4.032 0.229 -10.183 590 HD23 LEU 78 2HD2 LEU 78 2.440 -0.243 -9.589 591 H SER 79 H SER 79 3.762 0.764 -15.004 592 HA SER 79 HA SER 79 3.203 -1.852 -16.166 593 HB2 SER 79 2HB SER 79 3.886 0.580 -17.839 594 HB3 SER 79 1HB SER 79 3.650 -1.062 -18.438 595 HG SER 79 HG SER 79 1.475 -0.772 -17.315 596 H ASP 80 H ASP 80 5.100 -2.828 -17.135 597 HA ASP 80 HA ASP 80 7.291 -3.385 -17.247 598 HB2 ASP 80 2HB ASP 80 7.611 -0.386 -17.072 599 HB3 ASP 80 1HB ASP 80 8.970 -1.480 -17.296 600 H ALA 81 H ALA 81 9.289 -1.538 -15.723 601 HA ALA 81 HA ALA 81 9.667 -3.435 -13.703 602 HB1 ALA 81 1HB ALA 81 11.488 -2.171 -14.738 603 HB2 ALA 81 2HB ALA 81 11.521 -2.057 -12.979 604 HB3 ALA 81 3HB ALA 81 10.916 -0.707 -13.938 605 H GLU 82 H GLU 82 7.725 -0.605 -13.709 606 HA GLU 82 HA GLU 82 7.919 0.198 -11.026 607 HB2 GLU 82 2HB GLU 82 5.333 0.333 -12.548 608 HB3 GLU 82 1HB GLU 82 5.989 1.479 -11.386 609 HG2 GLU 82 2HG GLU 82 6.917 0.997 -14.190 610 HG3 GLU 82 1HG GLU 82 6.083 2.424 -13.573 611 H THR 83 H THR 83 5.569 -1.860 -12.686 612 HA THR 83 HA THR 83 4.217 -2.663 -10.341 613 HB THR 83 HB THR 83 4.364 -4.472 -12.722 614 HG1 THR 83 1HG THR 83 3.035 -1.950 -12.576 615 HG21 THR 83 3HG2 THR 83 2.978 -5.134 -10.839 616 HG22 THR 83 1HG2 THR 83 1.957 -4.709 -12.214 617 HG23 THR 83 2HG2 THR 83 2.149 -3.577 -10.874 618 H LYS 84 H LYS 84 7.015 -3.954 -12.052 619 HA LYS 84 HA LYS 84 7.180 -6.454 -10.822 620 HB2 LYS 84 2HB LYS 84 9.524 -4.733 -11.630 621 HB3 LYS 84 1HB LYS 84 9.484 -6.477 -11.495 622 HG2 LYS 84 2HG LYS 84 7.906 -4.898 -13.504 623 HG3 LYS 84 1HG LYS 84 9.473 -5.636 -13.818 624 HD2 LYS 84 2HD LYS 84 8.132 -7.295 -14.613 625 HD3 LYS 84 1HD LYS 84 8.206 -7.794 -12.924 626 HE2 LYS 84 2HE LYS 84 6.084 -6.741 -12.475 627 HE3 LYS 84 1HE LYS 84 6.031 -6.075 -14.105 628 HZ1 LYS 84 3HZ LYS 84 5.972 -8.961 -13.415 629 HZ2 LYS 84 1HZ LYS 84 5.921 -8.321 -14.981 630 HZ3 LYS 84 2HZ LYS 84 4.642 -8.032 -13.909 631 H VAL 85 H VAL 85 8.946 -3.471 -9.996 632 HA VAL 85 HA VAL 85 10.032 -4.519 -7.595 633 HB VAL 85 HB VAL 85 9.686 -1.626 -8.402 634 HG11 VAL 85 1HG1 VAL 85 10.137 -1.887 -6.019 635 HG12 VAL 85 2HG1 VAL 85 11.529 -1.196 -6.850 636 HG13 VAL 85 3HG1 VAL 85 11.536 -2.896 -6.385 637 HG21 VAL 85 3HG2 VAL 85 12.000 -3.513 -8.829 638 HG22 VAL 85 1HG2 VAL 85 12.000 -1.790 -9.201 639 HG23 VAL 85 2HG2 VAL 85 10.925 -2.881 -10.078 640 H PHE 86 H PHE 86 7.170 -2.607 -8.340 641 HA PHE 86 HA PHE 86 6.369 -1.993 -5.734 642 HB2 PHE 86 2HB PHE 86 5.297 -0.934 -7.603 643 HB3 PHE 86 1HB PHE 86 4.751 -2.472 -8.249 644 HD1 PHE 86 1HD PHE 86 4.214 0.101 -5.709 645 HD2 PHE 86 2HD PHE 86 2.797 -3.574 -7.313 646 HE1 PHE 86 1HE PHE 86 2.106 0.386 -4.479 647 HE2 PHE 86 2HE PHE 86 0.685 -3.296 -6.084 648 HZ PHE 86 HZ PHE 86 0.337 -1.315 -4.667 649 H LEU 87 H LEU 87 5.738 -4.863 -7.723 650 HA LEU 87 HA LEU 87 4.205 -6.210 -5.743 651 HB2 LEU 87 2HB LEU 87 5.777 -7.317 -8.074 652 HB3 LEU 87 1HB LEU 87 4.659 -8.242 -7.092 653 HG LEU 87 HG LEU 87 3.905 -5.875 -8.806 654 HD11 LEU 87 1HD1 LEU 87 4.584 -7.791 -10.149 655 HD12 LEU 87 2HD1 LEU 87 2.842 -7.528 -10.258 656 HD13 LEU 87 3HD1 LEU 87 3.478 -8.826 -9.247 657 HD21 LEU 87 3HD2 LEU 87 1.615 -6.511 -8.333 658 HD22 LEU 87 1HD2 LEU 87 2.466 -6.175 -6.828 659 HD23 LEU 87 2HD2 LEU 87 2.166 -7.842 -7.319 660 H LYS 88 H LYS 88 7.607 -6.440 -6.754 661 HA LYS 88 HA LYS 88 8.380 -8.501 -5.034 662 HB2 LYS 88 2HB LYS 88 9.984 -6.240 -6.221 663 HB3 LYS 88 1HB LYS 88 10.703 -7.578 -5.338 664 HG2 LYS 88 2HG LYS 88 9.009 -7.937 -7.790 665 HG3 LYS 88 1HG LYS 88 10.767 -7.786 -7.820 666 HD2 LYS 88 2HD LYS 88 10.878 -9.725 -6.251 667 HD3 LYS 88 1HD LYS 88 9.137 -9.928 -6.465 668 HE2 LYS 88 2HE LYS 88 10.361 -11.433 -7.931 669 HE3 LYS 88 1HE LYS 88 9.470 -10.237 -8.869 670 HZ1 LYS 88 3HZ LYS 88 12.380 -10.224 -8.280 671 HZ2 LYS 88 1HZ LYS 88 11.559 -8.959 -9.047 672 HZ3 LYS 88 2HZ LYS 88 11.649 -10.475 -9.782 673 H ALA 89 H ALA 89 7.836 -5.155 -4.359 674 HA ALA 89 HA ALA 89 9.314 -4.806 -2.023 675 HB1 ALA 89 1HB ALA 89 8.101 -3.001 -3.164 676 HB2 ALA 89 2HB ALA 89 7.713 -3.072 -1.446 677 HB3 ALA 89 3HB ALA 89 6.574 -3.705 -2.634 678 H GLY 90 H GLY 90 6.335 -6.517 -2.610 679 HA2 GLY 90 2HA GLY 90 6.287 -7.314 0.236 680 HA3 GLY 90 1HA GLY 90 4.839 -7.166 -0.753 681 H ASP 91 H ASP 91 5.464 -8.418 -3.040 682 HA ASP 91 HA ASP 91 5.182 -11.159 -2.458 683 HB2 ASP 91 2HB ASP 91 4.445 -10.116 -4.577 684 HB3 ASP 91 1HB ASP 91 6.134 -9.902 -5.040 685 H SER 92 H SER 92 6.745 -12.248 -1.430 686 HA SER 92 HA SER 92 9.543 -11.565 -1.966 687 HB2 SER 92 2HB SER 92 8.418 -13.343 0.205 688 HB3 SER 92 1HB SER 92 10.038 -12.652 0.126 689 HG SER 92 HG SER 92 7.671 -11.079 0.209 690 H ASP 93 H ASP 93 7.191 -13.861 -2.719 691 HA ASP 93 HA ASP 93 8.962 -16.097 -3.133 692 HB2 ASP 93 2HB ASP 93 6.407 -15.961 -4.644 693 HB3 ASP 93 1HB ASP 93 7.105 -17.298 -3.743 694 H GLY 94 H GLY 94 7.996 -13.301 -4.850 695 HA2 GLY 94 2HA GLY 94 8.636 -12.458 -6.894 696 HA3 GLY 94 1HA GLY 94 9.712 -13.838 -7.076 697 H ASP 95 H ASP 95 6.334 -14.206 -6.369 698 HA ASP 95 HA ASP 95 6.129 -15.887 -8.723 699 HB2 ASP 95 2HB ASP 95 4.271 -16.917 -7.713 700 HB3 ASP 95 1HB ASP 95 5.375 -16.599 -6.385 701 H GLY 96 H GLY 96 5.395 -12.707 -7.881 702 HA2 GLY 96 2HA GLY 96 4.704 -11.133 -9.492 703 HA3 GLY 96 1HA GLY 96 4.041 -12.442 -10.460 704 H LYS 97 H LYS 97 3.373 -12.058 -7.077 705 HA LYS 97 HA LYS 97 0.677 -11.008 -7.604 706 HB2 LYS 97 2HB LYS 97 -0.376 -12.940 -7.127 707 HB3 LYS 97 1HB LYS 97 1.180 -13.749 -7.250 708 HG2 LYS 97 2HG LYS 97 1.538 -13.278 -4.808 709 HG3 LYS 97 1HG LYS 97 -0.125 -12.677 -4.758 710 HD2 LYS 97 2HD LYS 97 0.780 -15.483 -5.387 711 HD3 LYS 97 1HD LYS 97 -0.151 -14.941 -3.993 712 HE2 LYS 97 2HE LYS 97 -1.836 -15.795 -5.277 713 HE3 LYS 97 1HE LYS 97 -1.828 -14.134 -5.864 714 HZ1 LYS 97 3HZ LYS 97 -1.896 -15.648 -7.708 715 HZ2 LYS 97 1HZ LYS 97 -0.523 -16.465 -7.157 716 HZ3 LYS 97 2HZ LYS 97 -0.395 -14.873 -7.704 717 H ILE 98 H ILE 98 -0.304 -10.184 -5.741 718 HA ILE 98 HA ILE 98 1.585 -9.689 -3.573 719 HB ILE 98 HB ILE 98 -0.894 -8.252 -4.445 720 HG12 ILE 98 2HG1 ILE 98 1.156 -7.593 -5.556 721 HG13 ILE 98 1HG1 ILE 98 0.671 -6.312 -4.455 722 HG21 ILE 98 1HG2 ILE 98 -0.691 -6.812 -2.483 723 HG22 ILE 98 2HG2 ILE 98 0.599 -7.846 -1.866 724 HG23 ILE 98 3HG2 ILE 98 -1.039 -8.482 -2.032 725 HD11 ILE 98 3HD1 ILE 98 2.880 -8.309 -4.093 726 HD12 ILE 98 1HD1 ILE 98 2.295 -7.261 -2.799 727 HD13 ILE 98 2HD1 ILE 98 3.005 -6.559 -4.250 728 H GLY 99 H GLY 99 1.420 -11.556 -2.381 729 HA2 GLY 99 2HA GLY 99 -1.010 -12.459 -1.253 730 HA3 GLY 99 1HA GLY 99 0.581 -12.588 -0.494 731 H VAL 100 H VAL 100 -2.152 -11.651 0.510 732 HA VAL 100 HA VAL 100 -2.064 -8.855 0.793 733 HB VAL 100 HB VAL 100 -3.428 -10.932 2.473 734 HG11 VAL 100 1HG1 VAL 100 -3.215 -8.838 3.694 735 HG12 VAL 100 2HG1 VAL 100 -4.892 -9.141 3.238 736 HG13 VAL 100 3HG1 VAL 100 -3.929 -7.969 2.335 737 HG21 VAL 100 3HG2 VAL 100 -4.378 -9.273 0.155 738 HG22 VAL 100 1HG2 VAL 100 -5.377 -10.379 1.104 739 HG23 VAL 100 2HG2 VAL 100 -4.041 -11.003 0.138 740 H ASP 101 H ASP 101 -0.954 -11.467 2.864 741 HA ASP 101 HA ASP 101 0.153 -9.907 4.924 742 HB2 ASP 101 2HB ASP 101 1.453 -11.890 5.489 743 HB3 ASP 101 1HB ASP 101 -0.188 -12.363 5.063 744 H GLU 102 H GLU 102 1.366 -10.902 1.770 745 HA GLU 102 HA GLU 102 4.006 -9.936 2.081 746 HB2 GLU 102 2HB GLU 102 2.418 -10.158 -0.499 747 HB3 GLU 102 1HB GLU 102 4.169 -10.051 -0.353 748 HG2 GLU 102 2HG GLU 102 3.875 -12.226 1.088 749 HG3 GLU 102 1HG GLU 102 2.360 -12.352 0.203 750 H PHE 103 H PHE 103 1.012 -8.453 0.924 751 HA PHE 103 HA PHE 103 2.116 -5.982 0.114 752 HB2 PHE 103 2HB PHE 103 -0.253 -6.965 -0.314 753 HB3 PHE 103 1HB PHE 103 -0.665 -6.243 1.235 754 HD1 PHE 103 1HD PHE 103 0.887 -5.361 -2.033 755 HD2 PHE 103 2HD PHE 103 -1.441 -4.067 1.281 756 HE1 PHE 103 1HE PHE 103 0.492 -3.212 -3.159 757 HE2 PHE 103 2HE PHE 103 -1.844 -1.914 0.158 758 HZ PHE 103 HZ PHE 103 -0.877 -1.484 -2.065 759 H GLY 104 H GLY 104 0.605 -7.008 3.167 760 HA2 GLY 104 2HA GLY 104 0.851 -4.601 4.565 761 HA3 GLY 104 1HA GLY 104 0.848 -6.197 5.304 762 H ALA 105 H ALA 105 3.194 -7.145 3.979 763 HA ALA 105 HA ALA 105 5.158 -6.195 5.792 764 HB1 ALA 105 1HB ALA 105 5.102 -8.506 4.980 765 HB2 ALA 105 2HB ALA 105 6.662 -7.745 4.671 766 HB3 ALA 105 3HB ALA 105 5.502 -7.944 3.358 767 H MET 106 H MET 106 4.283 -5.238 2.555 768 HA MET 106 HA MET 106 6.795 -3.814 2.186 769 HB2 MET 106 2HB MET 106 6.162 -3.382 0.024 770 HB3 MET 106 1HB MET 106 5.294 -4.880 0.308 771 HG2 MET 106 2HG MET 106 3.240 -3.744 0.571 772 HG3 MET 106 1HG MET 106 4.035 -2.177 0.677 773 HE1 MET 106 3HE MET 106 4.515 -5.203 -1.859 774 HE2 MET 106 1HE MET 106 3.489 -4.645 -3.181 775 HE3 MET 106 2HE MET 106 2.774 -5.045 -1.621 776 H ILE 107 H ILE 107 3.638 -3.282 3.387 777 HA ILE 107 HA ILE 107 3.665 -0.414 3.140 778 HB ILE 107 HB ILE 107 1.860 -2.307 4.666 779 HG12 ILE 107 2HG1 ILE 107 1.364 -0.697 2.154 780 HG13 ILE 107 1HG1 ILE 107 1.732 -2.420 2.191 781 HG21 ILE 107 1HG2 ILE 107 1.637 0.670 4.290 782 HG22 ILE 107 2HG2 ILE 107 1.882 -0.204 5.803 783 HG23 ILE 107 3HG2 ILE 107 0.361 -0.370 4.927 784 HD11 ILE 107 3HD1 ILE 107 -0.307 -2.824 3.466 785 HD12 ILE 107 1HD1 ILE 107 -0.645 -2.033 1.926 786 HD13 ILE 107 2HD1 ILE 107 -0.674 -1.099 3.421 787 H LYS 108 H LYS 108 4.130 -2.839 5.613 788 HA LYS 108 HA LYS 108 4.745 -0.890 7.647 789 HB2 LYS 108 2HB LYS 108 3.508 -2.910 8.206 790 HB3 LYS 108 1HB LYS 108 4.821 -3.918 7.611 791 HG2 LYS 108 2HG LYS 108 5.275 -1.997 9.865 792 HG3 LYS 108 1HG LYS 108 4.526 -3.567 10.156 793 HD2 LYS 108 2HD LYS 108 7.170 -3.189 8.763 794 HD3 LYS 108 1HD LYS 108 7.009 -3.510 10.493 795 HE2 LYS 108 2HE LYS 108 5.924 -5.632 10.012 796 HE3 LYS 108 1HE LYS 108 5.995 -5.300 8.283 797 HZ1 LYS 108 3HZ LYS 108 7.769 -6.777 8.953 798 HZ2 LYS 108 1HZ LYS 108 8.333 -5.645 10.076 799 HZ3 LYS 108 2HZ LYS 108 8.411 -5.305 8.416 800 H ALA 109 H ALA 109 6.404 -2.919 5.364 801 HA ALA 109 HA ALA 109 8.573 -3.308 4.867 802 HB1 ALA 109 1HB ALA 109 9.016 -0.622 6.168 803 HB2 ALA 109 2HB ALA 109 8.545 -0.886 4.489 804 HB3 ALA 109 3HB ALA 109 10.118 -1.442 5.061 Start of MODEL 10 1 H1 MET 1 1HT MET 1 -16.194 11.720 -2.713 2 H2 MET 1 2HT MET 1 -16.528 11.020 -4.215 3 H3 MET 1 3HT MET 1 -15.047 11.796 -3.956 4 HA MET 1 HA MET 1 -14.774 9.415 -3.903 5 HB2 MET 1 2HB MET 1 -13.361 10.874 -2.480 6 HB3 MET 1 1HB MET 1 -14.513 10.677 -1.168 7 HG2 MET 1 2HG MET 1 -14.054 8.275 -1.134 8 HG3 MET 1 1HG MET 1 -12.882 8.491 -2.432 9 HE1 MET 1 2HE MET 1 -12.391 10.239 1.813 10 HE2 MET 1 3HE MET 1 -13.791 9.310 1.277 11 HE3 MET 1 1HE MET 1 -13.508 10.927 0.636 12 H ALA 2 H ALA 2 -16.391 7.969 -4.110 13 HA ALA 2 HA ALA 2 -18.511 7.777 -2.155 14 HB1 ALA 2 1HB ALA 2 -19.428 6.065 -3.629 15 HB2 ALA 2 2HB ALA 2 -17.950 6.088 -4.591 16 HB3 ALA 2 3HB ALA 2 -18.989 7.511 -4.537 17 H PHE 3 H PHE 3 -16.113 7.273 -0.918 18 HA PHE 3 HA PHE 3 -16.316 4.393 -0.356 19 HB2 PHE 3 2HB PHE 3 -13.857 6.153 -0.204 20 HB3 PHE 3 1HB PHE 3 -13.931 4.495 0.378 21 HD1 PHE 3 2HD PHE 3 -14.259 2.639 -1.242 22 HD2 PHE 3 1HD PHE 3 -13.556 6.640 -2.500 23 HE1 PHE 3 2HE PHE 3 -13.637 1.825 -3.479 24 HE2 PHE 3 1HE PHE 3 -12.936 5.833 -4.739 25 HZ PHE 3 HZ PHE 3 -12.975 3.422 -5.230 26 H ALA 4 H ALA 4 -15.219 4.059 1.989 27 HA ALA 4 HA ALA 4 -17.052 5.317 3.759 28 HB1 ALA 4 1HB ALA 4 -14.623 3.675 4.461 29 HB2 ALA 4 2HB ALA 4 -16.211 3.017 4.068 30 HB3 ALA 4 3HB ALA 4 -16.004 4.021 5.501 31 H GLY 5 H GLY 5 -13.741 5.930 2.868 32 HA2 GLY 5 2HA GLY 5 -12.853 8.175 3.191 33 HA3 GLY 5 1HA GLY 5 -13.716 8.226 4.727 34 H ILE 6 H ILE 6 -12.525 5.189 4.391 35 HA ILE 6 HA ILE 6 -10.524 5.341 6.336 36 HB ILE 6 HB ILE 6 -10.918 3.320 4.119 37 HG12 ILE 6 2HG1 ILE 6 -11.670 3.224 7.049 38 HG13 ILE 6 1HG1 ILE 6 -12.788 3.534 5.724 39 HG21 ILE 6 1HG2 ILE 6 -9.505 1.811 5.430 40 HG22 ILE 6 2HG2 ILE 6 -9.183 3.110 6.577 41 HG23 ILE 6 3HG2 ILE 6 -8.616 3.244 4.913 42 HD11 ILE 6 3HD1 ILE 6 -11.237 0.999 6.194 43 HD12 ILE 6 1HD1 ILE 6 -12.307 1.302 4.826 44 HD13 ILE 6 2HD1 ILE 6 -12.962 1.245 6.461 45 H LEU 7 H LEU 7 -10.389 5.465 2.831 46 HA LEU 7 HA LEU 7 -7.631 6.428 3.028 47 HB2 LEU 7 2HB LEU 7 -7.212 5.691 0.799 48 HB3 LEU 7 1HB LEU 7 -7.890 4.353 1.692 49 HG LEU 7 HG LEU 7 -8.826 4.180 -0.437 50 HD11 LEU 7 1HD1 LEU 7 -10.524 3.987 1.314 51 HD12 LEU 7 2HD1 LEU 7 -11.181 4.534 -0.227 52 HD13 LEU 7 3HD1 LEU 7 -10.932 5.689 1.081 53 HD21 LEU 7 3HD2 LEU 7 -9.396 7.133 -0.405 54 HD22 LEU 7 1HD2 LEU 7 -9.858 6.012 -1.685 55 HD23 LEU 7 2HD2 LEU 7 -8.153 6.308 -1.346 56 H ASN 8 H ASN 8 -7.040 8.248 1.835 57 HA ASN 8 HA ASN 8 -9.289 10.027 1.201 58 HB2 ASN 8 2HB ASN 8 -6.353 10.660 1.609 59 HB3 ASN 8 1HB ASN 8 -7.619 11.842 1.317 60 HD21 ASN 8 1HD2 ASN 8 -9.534 10.384 3.026 61 HD22 ASN 8 2HD2 ASN 8 -9.041 10.720 4.647 62 H ASP 9 H ASP 9 -9.866 9.862 -0.852 63 HA ASP 9 HA ASP 9 -8.494 8.797 -2.980 64 HB2 ASP 9 2HB ASP 9 -10.851 9.247 -3.140 65 HB3 ASP 9 1HB ASP 9 -10.587 10.977 -2.965 66 H ALA 10 H ALA 10 -8.437 12.112 -1.827 67 HA ALA 10 HA ALA 10 -6.976 13.240 -3.955 68 HB1 ALA 10 1HB ALA 10 -7.127 14.073 -1.062 69 HB2 ALA 10 2HB ALA 10 -8.216 14.580 -2.353 70 HB3 ALA 10 3HB ALA 10 -6.522 15.068 -2.385 71 H ASP 11 H ASP 11 -5.904 11.892 -0.833 72 HA ASP 11 HA ASP 11 -3.154 12.436 -1.279 73 HB2 ASP 11 2HB ASP 11 -4.588 10.638 0.662 74 HB3 ASP 11 1HB ASP 11 -2.831 10.729 0.603 75 H ILE 12 H ILE 12 -5.185 9.627 -1.788 76 HA ILE 12 HA ILE 12 -3.201 7.848 -2.671 77 HB ILE 12 HB ILE 12 -6.143 8.088 -3.036 78 HG12 ILE 12 2HG1 ILE 12 -6.034 5.725 -2.168 79 HG13 ILE 12 1HG1 ILE 12 -4.293 5.921 -2.028 80 HG21 ILE 12 1HG2 ILE 12 -6.220 6.109 -4.494 81 HG22 ILE 12 2HG2 ILE 12 -4.465 6.167 -4.645 82 HG23 ILE 12 3HG2 ILE 12 -5.449 7.487 -5.279 83 HD11 ILE 12 3HD1 ILE 12 -6.394 7.490 -0.556 84 HD12 ILE 12 1HD1 ILE 12 -4.655 7.765 -0.448 85 HD13 ILE 12 2HD1 ILE 12 -5.342 6.239 0.108 86 H THR 13 H THR 13 -5.231 10.153 -4.445 87 HA THR 13 HA THR 13 -4.244 9.697 -7.015 88 HB THR 13 HB THR 13 -5.335 12.238 -5.788 89 HG1 THR 13 1HG THR 13 -6.890 10.645 -5.780 90 HG21 THR 13 3HG2 THR 13 -4.073 12.749 -7.822 91 HG22 THR 13 1HG2 THR 13 -5.804 12.965 -8.074 92 HG23 THR 13 2HG2 THR 13 -4.993 11.531 -8.704 93 H ALA 14 H ALA 14 -3.027 11.743 -4.412 94 HA ALA 14 HA ALA 14 -1.085 13.152 -5.872 95 HB1 ALA 14 1HB ALA 14 -1.075 12.383 -2.955 96 HB2 ALA 14 2HB ALA 14 -1.791 13.838 -3.648 97 HB3 ALA 14 3HB ALA 14 -0.043 13.605 -3.699 98 H ALA 15 H ALA 15 -0.812 10.134 -3.987 99 HA ALA 15 HA ALA 15 1.916 9.680 -4.550 100 HB1 ALA 15 1HB ALA 15 1.495 7.363 -3.880 101 HB2 ALA 15 2HB ALA 15 -0.243 7.660 -3.943 102 HB3 ALA 15 3HB ALA 15 0.753 8.501 -2.758 103 H LEU 16 H LEU 16 -1.046 8.698 -6.187 104 HA LEU 16 HA LEU 16 0.187 7.125 -8.189 105 HB2 LEU 16 2HB LEU 16 -2.464 8.568 -8.198 106 HB3 LEU 16 1HB LEU 16 -1.972 7.374 -9.380 107 HG LEU 16 HG LEU 16 -2.288 6.821 -6.432 108 HD11 LEU 16 1HD1 LEU 16 -4.318 5.594 -7.133 109 HD12 LEU 16 2HD1 LEU 16 -4.132 6.280 -8.747 110 HD13 LEU 16 3HD1 LEU 16 -4.435 7.338 -7.371 111 HD21 LEU 16 3HD2 LEU 16 -2.178 4.474 -7.129 112 HD22 LEU 16 1HD2 LEU 16 -0.696 5.342 -7.527 113 HD23 LEU 16 2HD2 LEU 16 -1.875 4.987 -8.789 114 H ALA 17 H ALA 17 -0.105 10.518 -7.763 115 HA ALA 17 HA ALA 17 0.301 11.187 -10.535 116 HB1 ALA 17 1HB ALA 17 0.510 13.483 -9.744 117 HB2 ALA 17 2HB ALA 17 0.543 12.916 -8.076 118 HB3 ALA 17 3HB ALA 17 -0.912 12.707 -9.050 119 H ALA 18 H ALA 18 2.256 10.678 -7.695 120 HA ALA 18 HA ALA 18 4.681 11.686 -8.868 121 HB1 ALA 18 1HB ALA 18 4.302 9.911 -6.458 122 HB2 ALA 18 2HB ALA 18 4.316 11.676 -6.434 123 HB3 ALA 18 3HB ALA 18 5.770 10.788 -6.890 124 H CYS 19 H CYS 19 3.232 8.535 -8.275 125 HA CYS 19 HA CYS 19 5.460 7.154 -9.520 126 HB2 CYS 19 2HB CYS 19 2.885 6.024 -8.411 127 HB3 CYS 19 1HB CYS 19 4.357 5.137 -8.779 128 HG CYS 19 HG CYS 19 4.622 5.142 -6.158 129 H LYS 20 H LYS 20 3.350 8.908 -10.936 130 HA LYS 20 HA LYS 20 2.005 7.134 -12.722 131 HB2 LYS 20 2HB LYS 20 1.419 9.584 -12.066 132 HB3 LYS 20 1HB LYS 20 2.585 10.031 -13.300 133 HG2 LYS 20 2HG LYS 20 0.287 8.200 -13.888 134 HG3 LYS 20 1HG LYS 20 0.122 9.952 -13.947 135 HD2 LYS 20 2HD LYS 20 2.152 8.383 -15.531 136 HD3 LYS 20 1HD LYS 20 0.582 8.889 -16.156 137 HE2 LYS 20 2HE LYS 20 2.763 10.718 -15.153 138 HE3 LYS 20 1HE LYS 20 2.365 10.419 -16.841 139 HZ1 LYS 20 3HZ LYS 20 0.596 11.697 -14.825 140 HZ2 LYS 20 1HZ LYS 20 0.149 11.341 -16.416 141 HZ3 LYS 20 2HZ LYS 20 1.370 12.468 -16.113 142 H ALA 21 H ALA 21 4.925 9.111 -12.843 143 HA ALA 21 HA ALA 21 5.636 8.328 -15.497 144 HB1 ALA 21 1HB ALA 21 7.310 9.611 -13.346 145 HB2 ALA 21 2HB ALA 21 6.371 10.461 -14.572 146 HB3 ALA 21 3HB ALA 21 7.748 9.468 -15.047 147 H GLU 22 H GLU 22 6.362 6.397 -16.053 148 HA GLU 22 HA GLU 22 7.130 4.392 -14.253 149 HB2 GLU 22 2HB GLU 22 8.030 4.528 -17.128 150 HB3 GLU 22 1HB GLU 22 7.764 3.093 -16.149 151 HG2 GLU 22 2HG GLU 22 5.855 3.036 -17.355 152 HG3 GLU 22 1HG GLU 22 5.304 4.092 -16.056 153 H GLY 23 H GLY 23 8.933 4.087 -13.153 154 HA2 GLY 23 2HA GLY 23 11.363 4.012 -13.049 155 HA3 GLY 23 1HA GLY 23 11.389 5.457 -14.053 156 H SER 24 H SER 24 9.104 6.572 -12.542 157 HA SER 24 HA SER 24 10.632 7.640 -10.291 158 HB2 SER 24 2HB SER 24 8.064 8.592 -11.597 159 HB3 SER 24 1HB SER 24 8.924 9.431 -10.298 160 HG SER 24 HG SER 24 9.497 10.297 -12.309 161 H PHE 25 H PHE 25 9.945 5.154 -9.735 162 HA PHE 25 HA PHE 25 7.297 5.044 -8.544 163 HB2 PHE 25 2HB PHE 25 8.083 2.607 -8.077 164 HB3 PHE 25 1HB PHE 25 7.661 3.086 -9.717 165 HD1 PHE 25 2HD PHE 25 10.587 2.675 -7.440 166 HD2 PHE 25 1HD PHE 25 9.161 2.751 -11.450 167 HE1 PHE 25 2HE PHE 25 12.785 1.908 -8.236 168 HE2 PHE 25 1HE PHE 25 11.357 1.982 -12.248 169 HZ PHE 25 HZ PHE 25 13.173 1.561 -10.640 170 H ASP 26 H ASP 26 6.870 5.144 -6.459 171 HA ASP 26 HA ASP 26 9.003 4.627 -4.531 172 HB2 ASP 26 2HB ASP 26 7.457 7.175 -4.792 173 HB3 ASP 26 1HB ASP 26 7.947 6.627 -3.192 174 H HIS 27 H HIS 27 8.029 2.691 -3.967 175 HA HIS 27 HA HIS 27 5.299 2.354 -3.391 176 HB2 HIS 27 2HB HIS 27 5.847 0.193 -2.848 177 HB3 HIS 27 1HB HIS 27 7.359 0.641 -3.622 178 HD1 HIS 27 1HD HIS 27 9.456 0.697 -2.198 179 HD2 HIS 27 2HD HIS 27 6.004 -0.033 0.004 180 HE1 HIS 27 1HE HIS 27 10.239 0.017 0.086 181 HE2 HIS 27 2HE HIS 27 8.143 -0.288 1.450 182 H LYS 28 H LYS 28 7.939 3.543 -1.562 183 HA LYS 28 HA LYS 28 6.817 3.334 1.026 184 HB2 LYS 28 2HB LYS 28 9.227 3.589 0.490 185 HB3 LYS 28 1HB LYS 28 8.898 5.226 -0.059 186 HG2 LYS 28 2HG LYS 28 8.211 5.869 2.189 187 HG3 LYS 28 1HG LYS 28 8.518 4.226 2.755 188 HD2 LYS 28 2HD LYS 28 10.876 4.459 2.111 189 HD3 LYS 28 1HD LYS 28 10.559 6.113 1.589 190 HE2 LYS 28 2HE LYS 28 9.955 6.742 3.849 191 HE3 LYS 28 1HE LYS 28 10.158 5.077 4.391 192 HZ1 LYS 28 3HZ LYS 28 12.296 6.852 3.341 193 HZ2 LYS 28 1HZ LYS 28 12.508 5.229 3.773 194 HZ3 LYS 28 2HZ LYS 28 12.093 6.370 4.948 195 H ALA 29 H ALA 29 7.059 5.975 -1.320 196 HA ALA 29 HA ALA 29 5.813 7.968 0.154 197 HB1 ALA 29 1HB ALA 29 5.334 9.044 -1.987 198 HB2 ALA 29 2HB ALA 29 5.712 7.541 -2.830 199 HB3 ALA 29 3HB ALA 29 6.975 8.400 -1.948 200 H PHE 30 H PHE 30 4.448 5.395 -1.824 201 HA PHE 30 HA PHE 30 1.788 6.282 -1.813 202 HB2 PHE 30 2HB PHE 30 2.656 4.488 -3.291 203 HB3 PHE 30 1HB PHE 30 2.793 3.424 -1.897 204 HD1 PHE 30 1HD PHE 30 0.427 5.198 -4.093 205 HD2 PHE 30 2HD PHE 30 0.892 2.292 -1.018 206 HE1 PHE 30 1HE PHE 30 -1.895 4.467 -4.441 207 HE2 PHE 30 2HE PHE 30 -1.432 1.556 -1.360 208 HZ PHE 30 HZ PHE 30 -2.827 2.644 -3.075 209 H PHE 31 H PHE 31 3.408 3.931 0.386 210 HA PHE 31 HA PHE 31 1.028 3.451 1.846 211 HB2 PHE 31 2HB PHE 31 2.254 2.031 3.240 212 HB3 PHE 31 1HB PHE 31 3.112 1.958 1.727 213 HD1 PHE 31 2HD PHE 31 3.270 3.731 4.998 214 HD2 PHE 31 1HD PHE 31 5.361 2.090 1.682 215 HE1 PHE 31 2HE PHE 31 5.404 4.137 6.150 216 HE2 PHE 31 1HE PHE 31 7.498 2.478 2.835 217 HZ PHE 31 HZ PHE 31 7.520 3.510 5.068 218 H THR 32 H THR 32 3.680 5.685 2.337 219 HA THR 32 HA THR 32 2.738 6.228 5.005 220 HB THR 32 HB THR 32 5.120 5.864 4.430 221 HG1 THR 32 1HG THR 32 4.400 8.329 5.719 222 HG21 THR 32 3HG2 THR 32 4.876 8.644 3.246 223 HG22 THR 32 1HG2 THR 32 5.304 7.162 2.391 224 HG23 THR 32 2HG2 THR 32 6.402 7.832 3.598 225 H LYS 33 H LYS 33 2.467 7.664 1.901 226 HA LYS 33 HA LYS 33 1.828 10.299 2.815 227 HB2 LYS 33 2HB LYS 33 2.644 9.828 0.558 228 HB3 LYS 33 1HB LYS 33 1.192 8.907 0.215 229 HG2 LYS 33 2HG LYS 33 -0.150 10.953 0.520 230 HG3 LYS 33 1HG LYS 33 1.345 11.863 0.759 231 HD2 LYS 33 2HD LYS 33 0.700 10.250 -1.707 232 HD3 LYS 33 1HD LYS 33 0.449 11.993 -1.561 233 HE2 LYS 33 2HE LYS 33 3.104 10.596 -1.239 234 HE3 LYS 33 1HE LYS 33 2.556 11.381 -2.717 235 HZ1 LYS 33 3HZ LYS 33 4.015 12.807 -1.407 236 HZ2 LYS 33 1HZ LYS 33 2.943 12.739 -0.103 237 HZ3 LYS 33 2HZ LYS 33 2.473 13.483 -1.546 238 H VAL 34 H VAL 34 -0.085 7.523 1.688 239 HA VAL 34 HA VAL 34 -2.573 8.798 2.231 240 HB VAL 34 HB VAL 34 -3.557 6.816 1.432 241 HG11 VAL 34 1HG1 VAL 34 -0.967 7.193 -0.038 242 HG12 VAL 34 2HG1 VAL 34 -2.444 8.126 -0.280 243 HG13 VAL 34 3HG1 VAL 34 -2.409 6.408 -0.682 244 HG21 VAL 34 3HG2 VAL 34 -2.360 4.707 1.100 245 HG22 VAL 34 1HG2 VAL 34 -2.374 5.192 2.796 246 HG23 VAL 34 2HG2 VAL 34 -0.921 5.426 1.825 247 H GLY 35 H GLY 35 -0.271 7.437 4.165 248 HA2 GLY 35 2HA GLY 35 -0.257 6.993 6.414 249 HA3 GLY 35 1HA GLY 35 -1.941 7.483 6.466 250 H LEU 36 H LEU 36 -0.614 4.900 4.461 251 HA LEU 36 HA LEU 36 -2.649 3.121 5.433 252 HB2 LEU 36 2HB LEU 36 -1.836 3.187 3.061 253 HB3 LEU 36 1HB LEU 36 -0.335 2.470 3.617 254 HG LEU 36 HG LEU 36 -1.723 0.543 4.500 255 HD11 LEU 36 1HD1 LEU 36 -3.882 1.680 4.496 256 HD12 LEU 36 2HD1 LEU 36 -3.916 0.214 3.524 257 HD13 LEU 36 3HD1 LEU 36 -3.823 1.790 2.740 258 HD21 LEU 36 3HD2 LEU 36 -1.844 -0.542 2.353 259 HD22 LEU 36 1HD2 LEU 36 -0.384 0.438 2.447 260 HD23 LEU 36 2HD2 LEU 36 -1.774 1.016 1.526 261 H ALA 37 H ALA 37 0.741 3.637 6.018 262 HA ALA 37 HA ALA 37 1.258 1.140 7.296 263 HB1 ALA 37 1HB ALA 37 3.292 2.247 8.141 264 HB2 ALA 37 2HB ALA 37 2.700 3.785 7.514 265 HB3 ALA 37 3HB ALA 37 3.077 2.469 6.407 266 H ALA 38 H ALA 38 -0.281 4.057 8.251 267 HA ALA 38 HA ALA 38 -0.226 3.301 11.083 268 HB1 ALA 38 1HB ALA 38 -1.161 5.525 11.501 269 HB2 ALA 38 2HB ALA 38 -1.224 5.826 9.765 270 HB3 ALA 38 3HB ALA 38 0.331 5.622 10.568 271 H LYS 39 H LYS 39 -1.787 1.953 8.901 272 HA LYS 39 HA LYS 39 -4.527 2.541 9.733 273 HB2 LYS 39 2HB LYS 39 -3.379 0.945 7.456 274 HB3 LYS 39 1HB LYS 39 -5.082 0.859 7.886 275 HG2 LYS 39 2HG LYS 39 -3.635 3.397 7.165 276 HG3 LYS 39 1HG LYS 39 -4.587 2.430 6.040 277 HD2 LYS 39 2HD LYS 39 -6.573 2.766 7.435 278 HD3 LYS 39 1HD LYS 39 -5.619 3.742 8.552 279 HE2 LYS 39 2HE LYS 39 -5.964 4.396 5.634 280 HE3 LYS 39 1HE LYS 39 -6.996 5.043 6.907 281 HZ1 LYS 39 3HZ LYS 39 -5.163 6.160 7.874 282 HZ2 LYS 39 1HZ LYS 39 -5.135 6.516 6.222 283 HZ3 LYS 39 2HZ LYS 39 -4.049 5.387 6.863 284 H SER 40 H SER 40 -5.918 0.956 10.478 285 HA SER 40 HA SER 40 -4.687 -1.013 12.179 286 HB2 SER 40 2HB SER 40 -6.696 0.460 12.760 287 HB3 SER 40 1HB SER 40 -7.640 -0.560 11.679 288 HG SER 40 HG SER 40 -7.275 -0.991 14.170 289 HA PRO 41 HA PRO 41 -4.688 -4.721 9.789 290 HB2 PRO 41 2HB PRO 41 -6.738 -5.653 11.772 291 HB3 PRO 41 1HB PRO 41 -5.344 -6.520 11.112 292 HG2 PRO 41 2HG PRO 41 -5.214 -5.395 13.516 293 HG3 PRO 41 1HG PRO 41 -3.826 -5.346 12.415 294 HD2 PRO 41 2HD PRO 41 -5.659 -3.171 13.232 295 HD3 PRO 41 1HD PRO 41 -3.987 -3.080 12.647 296 H ALA 42 H ALA 42 -8.014 -3.982 10.912 297 HA ALA 42 HA ALA 42 -9.365 -5.349 8.893 298 HB1 ALA 42 1HB ALA 42 -11.314 -4.026 9.506 299 HB2 ALA 42 2HB ALA 42 -10.283 -2.891 10.377 300 HB3 ALA 42 3HB ALA 42 -10.436 -4.555 10.941 301 H ASP 43 H ASP 43 -8.177 -2.022 8.955 302 HA ASP 43 HA ASP 43 -9.461 -1.163 6.578 303 HB2 ASP 43 2HB ASP 43 -6.897 -0.126 7.817 304 HB3 ASP 43 1HB ASP 43 -7.879 0.712 6.623 305 H ILE 44 H ILE 44 -6.201 -2.305 7.290 306 HA ILE 44 HA ILE 44 -5.303 -2.242 4.607 307 HB ILE 44 HB ILE 44 -4.265 -3.288 7.186 308 HG12 ILE 44 2HG1 ILE 44 -2.997 -1.647 4.984 309 HG13 ILE 44 1HG1 ILE 44 -3.870 -0.973 6.359 310 HG21 ILE 44 1HG2 ILE 44 -3.089 -4.120 4.540 311 HG22 ILE 44 2HG2 ILE 44 -3.833 -5.184 5.733 312 HG23 ILE 44 3HG2 ILE 44 -2.331 -4.341 6.117 313 HD11 ILE 44 3HD1 ILE 44 -1.425 -0.890 6.582 314 HD12 ILE 44 1HD1 ILE 44 -1.382 -2.651 6.540 315 HD13 ILE 44 2HD1 ILE 44 -2.199 -1.822 7.868 316 H LYS 45 H LYS 45 -7.050 -4.621 6.479 317 HA LYS 45 HA LYS 45 -6.641 -6.871 4.853 318 HB2 LYS 45 2HB LYS 45 -8.821 -6.039 6.727 319 HB3 LYS 45 1HB LYS 45 -9.059 -7.448 5.705 320 HG2 LYS 45 2HG LYS 45 -6.722 -7.104 7.571 321 HG3 LYS 45 1HG LYS 45 -8.212 -7.953 7.991 322 HD2 LYS 45 2HD LYS 45 -7.842 -9.548 6.201 323 HD3 LYS 45 1HD LYS 45 -6.409 -8.666 5.685 324 HE2 LYS 45 2HE LYS 45 -5.774 -10.618 6.966 325 HE3 LYS 45 1HE LYS 45 -5.338 -9.148 7.829 326 HZ1 LYS 45 3HZ LYS 45 -6.310 -10.728 9.333 327 HZ2 LYS 45 1HZ LYS 45 -7.689 -10.877 8.367 328 HZ3 LYS 45 2HZ LYS 45 -7.366 -9.420 9.161 329 H LYS 46 H LYS 46 -9.129 -4.314 4.644 330 HA LYS 46 HA LYS 46 -10.288 -5.527 2.330 331 HB2 LYS 46 2HB LYS 46 -11.656 -3.523 2.132 332 HB3 LYS 46 1HB LYS 46 -11.654 -4.122 3.777 333 HG2 LYS 46 2HG LYS 46 -11.519 -1.837 4.051 334 HG3 LYS 46 1HG LYS 46 -9.839 -2.346 4.203 335 HD2 LYS 46 2HD LYS 46 -10.162 -0.305 2.809 336 HD3 LYS 46 1HD LYS 46 -9.354 -1.625 1.966 337 HE2 LYS 46 2HE LYS 46 -11.044 -0.485 0.575 338 HE3 LYS 46 1HE LYS 46 -11.393 -2.193 0.805 339 HZ1 LYS 46 3HZ LYS 46 -12.678 0.061 2.252 340 HZ2 LYS 46 1HZ LYS 46 -13.001 -1.579 2.521 341 HZ3 LYS 46 2HZ LYS 46 -13.384 -0.875 1.034 342 H VAL 47 H VAL 47 -7.684 -3.323 2.898 343 HA VAL 47 HA VAL 47 -7.403 -2.425 0.227 344 HB VAL 47 HB VAL 47 -5.249 -2.722 2.328 345 HG11 VAL 47 1HG1 VAL 47 -5.315 -1.060 -0.189 346 HG12 VAL 47 2HG1 VAL 47 -4.360 -2.523 0.050 347 HG13 VAL 47 3HG1 VAL 47 -4.021 -1.081 1.008 348 HG21 VAL 47 3HG2 VAL 47 -7.060 -1.283 3.086 349 HG22 VAL 47 1HG2 VAL 47 -6.970 -0.355 1.589 350 HG23 VAL 47 2HG2 VAL 47 -5.622 -0.327 2.726 351 H PHE 48 H PHE 48 -6.296 -5.265 1.979 352 HA PHE 48 HA PHE 48 -4.712 -6.470 0.034 353 HB2 PHE 48 2HB PHE 48 -6.631 -7.734 1.987 354 HB3 PHE 48 1HB PHE 48 -5.493 -8.643 1.007 355 HD1 PHE 48 1HD PHE 48 -3.271 -6.407 1.371 356 HD2 PHE 48 2HD PHE 48 -5.749 -8.635 4.004 357 HE1 PHE 48 1HE PHE 48 -1.570 -6.209 3.139 358 HE2 PHE 48 2HE PHE 48 -4.061 -8.434 5.781 359 HZ PHE 48 HZ PHE 48 -1.965 -7.219 5.346 360 H GLU 49 H GLU 49 -8.195 -6.421 0.444 361 HA GLU 49 HA GLU 49 -8.835 -8.096 -1.741 362 HB2 GLU 49 2HB GLU 49 -10.465 -5.866 -0.506 363 HB3 GLU 49 1HB GLU 49 -11.088 -7.144 -1.543 364 HG2 GLU 49 2HG GLU 49 -9.741 -7.651 1.095 365 HG3 GLU 49 1HG GLU 49 -11.483 -7.458 0.903 366 H ILE 50 H ILE 50 -7.886 -4.759 -1.543 367 HA ILE 50 HA ILE 50 -8.960 -3.955 -4.047 368 HB ILE 50 HB ILE 50 -6.609 -2.696 -2.639 369 HG12 ILE 50 2HG1 ILE 50 -9.554 -2.041 -2.397 370 HG13 ILE 50 1HG1 ILE 50 -8.626 -2.912 -1.181 371 HG21 ILE 50 1HG2 ILE 50 -8.632 -1.471 -4.505 372 HG22 ILE 50 2HG2 ILE 50 -7.070 -2.083 -5.035 373 HG23 ILE 50 3HG2 ILE 50 -7.148 -0.740 -3.895 374 HD11 ILE 50 3HD1 ILE 50 -8.251 -0.068 -2.069 375 HD12 ILE 50 1HD1 ILE 50 -7.143 -0.926 -0.998 376 HD13 ILE 50 2HD1 ILE 50 -8.811 -0.642 -0.499 377 H ILE 51 H ILE 51 -5.643 -5.094 -3.147 378 HA ILE 51 HA ILE 51 -4.655 -4.846 -5.806 379 HB ILE 51 HB ILE 51 -2.958 -6.722 -5.100 380 HG12 ILE 51 2HG1 ILE 51 -4.572 -7.078 -2.968 381 HG13 ILE 51 1HG1 ILE 51 -2.835 -7.365 -2.879 382 HG21 ILE 51 1HG2 ILE 51 -2.999 -4.006 -3.781 383 HG22 ILE 51 2HG2 ILE 51 -2.390 -4.394 -5.390 384 HG23 ILE 51 3HG2 ILE 51 -1.582 -5.044 -3.961 385 HD11 ILE 51 3HD1 ILE 51 -3.278 -6.107 -0.988 386 HD12 ILE 51 1HD1 ILE 51 -4.434 -5.060 -1.817 387 HD13 ILE 51 2HD1 ILE 51 -2.706 -4.899 -2.131 388 H ASP 52 H ASP 52 -6.603 -7.169 -4.186 389 HA ASP 52 HA ASP 52 -6.483 -9.030 -6.401 390 HB2 ASP 52 2HB ASP 52 -6.933 -9.581 -3.857 391 HB3 ASP 52 1HB ASP 52 -8.592 -9.155 -4.278 392 H GLN 53 H GLN 53 -7.050 -7.001 -7.699 393 HA GLN 53 HA GLN 53 -9.479 -5.708 -7.740 394 HB2 GLN 53 2HB GLN 53 -7.375 -5.371 -9.165 395 HB3 GLN 53 1HB GLN 53 -8.007 -6.626 -10.212 396 HG2 GLN 53 2HG GLN 53 -9.481 -4.086 -9.594 397 HG3 GLN 53 1HG GLN 53 -8.387 -4.276 -10.958 398 HE21 GLN 53 1HE2 GLN 53 -8.966 -5.768 -12.622 399 HE22 GLN 53 2HE2 GLN 53 -10.626 -6.183 -12.881 400 H ASP 54 H ASP 54 -8.566 -8.713 -9.272 401 HA ASP 54 HA ASP 54 -11.148 -9.215 -10.425 402 HB2 ASP 54 2HB ASP 54 -9.247 -9.964 -11.641 403 HB3 ASP 54 1HB ASP 54 -8.582 -10.786 -10.238 404 H LYS 55 H LYS 55 -9.783 -9.708 -7.365 405 HA LYS 55 HA LYS 55 -10.350 -10.880 -5.518 406 HB2 LYS 55 2HB LYS 55 -12.977 -10.768 -6.944 407 HB3 LYS 55 1HB LYS 55 -12.829 -11.528 -5.368 408 HG2 LYS 55 2HG LYS 55 -12.175 -8.661 -6.031 409 HG3 LYS 55 1HG LYS 55 -13.617 -9.228 -5.190 410 HD2 LYS 55 2HD LYS 55 -10.782 -9.567 -4.208 411 HD3 LYS 55 1HD LYS 55 -11.910 -8.334 -3.652 412 HE2 LYS 55 2HE LYS 55 -12.331 -11.311 -3.420 413 HE3 LYS 55 1HE LYS 55 -11.783 -10.256 -2.119 414 HZ1 LYS 55 3HZ LYS 55 -14.402 -10.090 -3.510 415 HZ2 LYS 55 1HZ LYS 55 -13.871 -9.035 -2.300 416 HZ3 LYS 55 2HZ LYS 55 -14.139 -10.663 -1.942 417 H SER 56 H SER 56 -8.847 -12.413 -6.510 418 HA SER 56 HA SER 56 -10.099 -14.930 -7.389 419 HB2 SER 56 2HB SER 56 -7.249 -14.717 -7.886 420 HB3 SER 56 1HB SER 56 -8.561 -14.979 -9.038 421 HG SER 56 HG SER 56 -8.670 -12.892 -9.464 422 H ASP 57 H ASP 57 -9.015 -13.583 -4.700 423 HA ASP 57 HA ASP 57 -8.112 -14.236 -2.728 424 HB2 ASP 57 2HB ASP 57 -8.058 -16.981 -3.998 425 HB3 ASP 57 1HB ASP 57 -7.521 -16.662 -2.352 426 H PHE 58 H PHE 58 -6.680 -14.197 -5.611 427 HA PHE 58 HA PHE 58 -4.047 -13.777 -4.459 428 HB2 PHE 58 2HB PHE 58 -4.588 -15.578 -6.833 429 HB3 PHE 58 1HB PHE 58 -2.997 -14.949 -6.425 430 HD1 PHE 58 1HD PHE 58 -1.893 -15.674 -4.328 431 HD2 PHE 58 2HD PHE 58 -5.506 -17.447 -5.708 432 HE1 PHE 58 1HE PHE 58 -1.506 -17.604 -2.853 433 HE2 PHE 58 2HE PHE 58 -5.127 -19.378 -4.234 434 HZ PHE 58 HZ PHE 58 -3.124 -19.459 -2.804 435 H VAL 59 H VAL 59 -2.973 -12.116 -5.454 436 HA VAL 59 HA VAL 59 -4.568 -10.686 -7.445 437 HB VAL 59 HB VAL 59 -3.808 -8.725 -6.626 438 HG11 VAL 59 1HG1 VAL 59 -4.787 -9.822 -4.726 439 HG12 VAL 59 2HG1 VAL 59 -3.476 -8.762 -4.210 440 HG13 VAL 59 3HG1 VAL 59 -3.220 -10.504 -4.290 441 HG21 VAL 59 3HG2 VAL 59 -1.700 -8.100 -6.038 442 HG22 VAL 59 1HG2 VAL 59 -1.429 -9.341 -7.257 443 HG23 VAL 59 2HG2 VAL 59 -1.248 -9.733 -5.542 444 H GLU 60 H GLU 60 -3.959 -10.684 -9.479 445 HA GLU 60 HA GLU 60 -1.323 -11.664 -10.214 446 HB2 GLU 60 2HB GLU 60 -3.734 -10.924 -11.878 447 HB3 GLU 60 1HB GLU 60 -2.224 -11.532 -12.542 448 HG2 GLU 60 2HG GLU 60 -3.871 -13.031 -10.529 449 HG3 GLU 60 1HG GLU 60 -4.041 -13.228 -12.272 450 H GLU 61 H GLU 61 -0.268 -10.451 -12.152 451 HA GLU 61 HA GLU 61 0.424 -7.848 -11.317 452 HB2 GLU 61 2HB GLU 61 1.920 -9.248 -12.660 453 HB3 GLU 61 1HB GLU 61 0.796 -9.175 -14.007 454 HG2 GLU 61 2HG GLU 61 1.138 -6.689 -14.027 455 HG3 GLU 61 1HG GLU 61 2.440 -6.938 -12.862 456 H ASP 62 H ASP 62 -1.728 -9.008 -13.902 457 HA ASP 62 HA ASP 62 -2.404 -6.436 -14.874 458 HB2 ASP 62 2HB ASP 62 -2.811 -8.663 -16.052 459 HB3 ASP 62 1HB ASP 62 -4.212 -8.846 -14.998 460 H GLU 63 H GLU 63 -3.547 -8.380 -12.239 461 HA GLU 63 HA GLU 63 -5.854 -6.872 -11.628 462 HB2 GLU 63 2HB GLU 63 -4.091 -8.691 -10.020 463 HB3 GLU 63 1HB GLU 63 -5.380 -7.774 -9.245 464 HG2 GLU 63 2HG GLU 63 -6.968 -8.782 -10.880 465 HG3 GLU 63 1HG GLU 63 -5.654 -9.824 -11.426 466 H LEU 64 H LEU 64 -2.450 -6.542 -10.776 467 HA LEU 64 HA LEU 64 -2.853 -4.398 -8.961 468 HB2 LEU 64 2HB LEU 64 -0.747 -5.960 -9.511 469 HB3 LEU 64 1HB LEU 64 -0.298 -4.492 -10.373 470 HG LEU 64 HG LEU 64 -1.117 -3.414 -8.058 471 HD11 LEU 64 1HD1 LEU 64 -0.284 -4.758 -6.206 472 HD12 LEU 64 2HD1 LEU 64 0.030 -6.092 -7.316 473 HD13 LEU 64 3HD1 LEU 64 -1.624 -5.547 -7.038 474 HD21 LEU 64 3HD2 LEU 64 0.958 -2.943 -9.131 475 HD22 LEU 64 1HD2 LEU 64 1.598 -4.519 -8.676 476 HD23 LEU 64 2HD2 LEU 64 1.243 -3.321 -7.433 477 H LYS 65 H LYS 65 -2.541 -4.628 -12.402 478 HA LYS 65 HA LYS 65 -1.989 -1.935 -12.974 479 HB2 LYS 65 2HB LYS 65 -3.044 -4.263 -14.449 480 HB3 LYS 65 1HB LYS 65 -3.559 -2.709 -15.084 481 HG2 LYS 65 2HG LYS 65 -1.538 -3.595 -16.183 482 HG3 LYS 65 1HG LYS 65 -1.266 -2.034 -15.408 483 HD2 LYS 65 2HD LYS 65 -0.199 -3.102 -13.534 484 HD3 LYS 65 1HD LYS 65 -0.570 -4.701 -14.181 485 HE2 LYS 65 2HE LYS 65 1.200 -2.647 -15.506 486 HE3 LYS 65 1HE LYS 65 1.773 -4.026 -14.571 487 HZ1 LYS 65 3HZ LYS 65 1.845 -4.507 -16.918 488 HZ2 LYS 65 1HZ LYS 65 0.200 -4.156 -17.086 489 HZ3 LYS 65 2HZ LYS 65 0.689 -5.491 -16.179 490 H LEU 66 H LEU 66 -5.008 -3.664 -12.460 491 HA LEU 66 HA LEU 66 -6.446 -1.136 -12.780 492 HB2 LEU 66 2HB LEU 66 -7.537 -3.942 -12.785 493 HB3 LEU 66 1HB LEU 66 -8.400 -2.472 -13.225 494 HG LEU 66 HG LEU 66 -6.042 -3.663 -14.679 495 HD11 LEU 66 1HD1 LEU 66 -8.099 -4.868 -15.088 496 HD12 LEU 66 2HD1 LEU 66 -7.594 -3.970 -16.519 497 HD13 LEU 66 3HD1 LEU 66 -8.915 -3.362 -15.517 498 HD21 LEU 66 3HD2 LEU 66 -6.339 -1.851 -16.289 499 HD22 LEU 66 1HD2 LEU 66 -5.920 -1.233 -14.686 500 HD23 LEU 66 2HD2 LEU 66 -7.589 -1.144 -15.266 501 H PHE 67 H PHE 67 -5.147 -2.882 -10.345 502 HA PHE 67 HA PHE 67 -7.235 -2.912 -8.429 503 HB2 PHE 67 2HB PHE 67 -5.697 -3.855 -7.092 504 HB3 PHE 67 1HB PHE 67 -4.622 -3.811 -8.477 505 HD1 PHE 67 1HD PHE 67 -2.949 -1.959 -8.663 506 HD2 PHE 67 2HD PHE 67 -5.292 -2.550 -5.166 507 HE1 PHE 67 1HE PHE 67 -1.366 -0.592 -7.373 508 HE2 PHE 67 2HE PHE 67 -3.720 -1.173 -3.872 509 HZ PHE 67 HZ PHE 67 -1.750 -0.195 -4.974 510 H LEU 68 H LEU 68 -5.155 -0.504 -9.691 511 HA LEU 68 HA LEU 68 -5.363 1.453 -7.673 512 HB2 LEU 68 2HB LEU 68 -5.047 1.967 -10.621 513 HB3 LEU 68 1HB LEU 68 -4.452 2.944 -9.292 514 HG LEU 68 HG LEU 68 -3.405 0.194 -9.364 515 HD11 LEU 68 1HD1 LEU 68 -1.826 0.671 -11.164 516 HD12 LEU 68 2HD1 LEU 68 -2.656 2.193 -11.490 517 HD13 LEU 68 3HD1 LEU 68 -3.494 0.657 -11.755 518 HD21 LEU 68 3HD2 LEU 68 -2.126 2.912 -9.102 519 HD22 LEU 68 1HD2 LEU 68 -1.326 1.363 -8.846 520 HD23 LEU 68 2HD2 LEU 68 -2.626 1.871 -7.770 521 H GLN 69 H GLN 69 -7.201 0.801 -10.603 522 HA GLN 69 HA GLN 69 -9.033 2.961 -10.268 523 HB2 GLN 69 2HB GLN 69 -9.303 0.419 -11.888 524 HB3 GLN 69 1HB GLN 69 -10.309 1.852 -12.052 525 HG2 GLN 69 2HG GLN 69 -8.389 3.144 -12.780 526 HG3 GLN 69 1HG GLN 69 -7.344 1.742 -12.555 527 HE21 GLN 69 1HE2 GLN 69 -6.711 1.769 -14.700 528 HE22 GLN 69 2HE2 GLN 69 -7.755 1.256 -15.978 529 H ASN 70 H ASN 70 -8.620 -0.070 -8.847 530 HA ASN 70 HA ASN 70 -11.382 -0.352 -7.967 531 HB2 ASN 70 2HB ASN 70 -10.015 -2.350 -8.498 532 HB3 ASN 70 1HB ASN 70 -8.894 -1.915 -7.214 533 HD21 ASN 70 1HD2 ASN 70 -9.231 -3.880 -6.193 534 HD22 ASN 70 2HD2 ASN 70 -10.686 -4.226 -5.324 535 H PHE 71 H PHE 71 -8.375 0.950 -6.929 536 HA PHE 71 HA PHE 71 -8.968 1.094 -4.128 537 HB2 PHE 71 2HB PHE 71 -6.662 1.062 -5.398 538 HB3 PHE 71 1HB PHE 71 -6.905 2.801 -5.484 539 HD1 PHE 71 1HD PHE 71 -7.719 3.780 -3.048 540 HD2 PHE 71 2HD PHE 71 -5.294 0.353 -3.733 541 HE1 PHE 71 1HE PHE 71 -6.759 4.011 -0.795 542 HE2 PHE 71 2HE PHE 71 -4.334 0.574 -1.480 543 HZ PHE 71 HZ PHE 71 -5.068 2.404 -0.007 544 H SER 72 H SER 72 -8.959 3.377 -6.846 545 HA SER 72 HA SER 72 -10.424 5.283 -5.157 546 HB2 SER 72 2HB SER 72 -9.160 7.095 -6.429 547 HB3 SER 72 1HB SER 72 -8.224 6.168 -5.256 548 HG SER 72 HG SER 72 -7.428 4.913 -6.985 549 H ALA 73 H ALA 73 -10.912 7.259 -7.029 550 HA ALA 73 HA ALA 73 -13.020 5.992 -8.521 551 HB1 ALA 73 1HB ALA 73 -13.659 8.267 -9.158 552 HB2 ALA 73 2HB ALA 73 -12.182 8.886 -8.422 553 HB3 ALA 73 3HB ALA 73 -13.414 8.124 -7.419 554 H GLY 74 H GLY 74 -10.030 7.721 -9.322 555 HA2 GLY 74 2HA GLY 74 -10.105 6.504 -11.979 556 HA3 GLY 74 1HA GLY 74 -10.070 8.259 -11.898 557 H ALA 75 H ALA 75 -8.251 5.373 -11.695 558 HA ALA 75 HA ALA 75 -5.854 6.943 -11.026 559 HB1 ALA 75 1HB ALA 75 -6.438 4.085 -10.281 560 HB2 ALA 75 2HB ALA 75 -6.424 5.470 -9.188 561 HB3 ALA 75 3HB ALA 75 -4.931 4.942 -9.964 562 H ARG 76 H ARG 76 -4.233 6.861 -12.407 563 HA ARG 76 HA ARG 76 -4.325 5.568 -14.882 564 HB2 ARG 76 2HB ARG 76 -2.056 6.803 -13.317 565 HB3 ARG 76 1HB ARG 76 -1.877 6.198 -14.956 566 HG2 ARG 76 2HG ARG 76 -2.203 8.525 -15.149 567 HG3 ARG 76 1HG ARG 76 -3.704 7.755 -15.636 568 HD2 ARG 76 2HD ARG 76 -4.254 9.647 -14.307 569 HD3 ARG 76 1HD ARG 76 -4.621 8.196 -13.383 570 HE ARG 76 HE ARG 76 -2.035 9.434 -12.896 571 HH11 ARG 76 1HH1 ARG 76 -5.371 9.062 -11.908 572 HH12 ARG 76 2HH1 ARG 76 -5.096 9.626 -10.290 573 HH21 ARG 76 1HH2 ARG 76 -1.667 10.226 -10.788 574 HH22 ARG 76 2HH2 ARG 76 -2.980 10.307 -9.656 575 H ALA 77 H ALA 77 -3.584 3.617 -15.567 576 HA ALA 77 HA ALA 77 -2.953 1.649 -13.588 577 HB1 ALA 77 1HB ALA 77 -4.268 1.064 -15.560 578 HB2 ALA 77 2HB ALA 77 -2.804 0.083 -15.453 579 HB3 ALA 77 3HB ALA 77 -2.888 1.427 -16.594 580 H LEU 78 H LEU 78 -1.064 1.375 -12.725 581 HA LEU 78 HA LEU 78 1.349 2.495 -13.639 582 HB2 LEU 78 2HB LEU 78 0.534 0.571 -11.526 583 HB3 LEU 78 1HB LEU 78 2.228 0.613 -11.962 584 HG LEU 78 HG LEU 78 2.446 2.884 -11.254 585 HD11 LEU 78 1HD1 LEU 78 0.344 3.785 -12.099 586 HD12 LEU 78 2HD1 LEU 78 0.601 4.220 -10.409 587 HD13 LEU 78 3HD1 LEU 78 -0.533 2.934 -10.825 588 HD21 LEU 78 3HD2 LEU 78 0.781 1.324 -9.292 589 HD22 LEU 78 1HD2 LEU 78 1.770 2.730 -8.893 590 HD23 LEU 78 2HD2 LEU 78 2.533 1.252 -9.479 591 H SER 79 H SER 79 3.075 1.612 -14.744 592 HA SER 79 HA SER 79 2.850 -1.107 -15.756 593 HB2 SER 79 2HB SER 79 1.551 0.216 -17.366 594 HB3 SER 79 1HB SER 79 2.902 1.327 -17.565 595 HG SER 79 HG SER 79 3.988 -0.142 -18.712 596 H ASP 80 H ASP 80 4.780 -1.644 -17.150 597 HA ASP 80 HA ASP 80 7.000 -1.740 -17.589 598 HB2 ASP 80 2HB ASP 80 6.877 1.166 -16.772 599 HB3 ASP 80 1HB ASP 80 8.335 0.395 -17.383 600 H ALA 81 H ALA 81 9.022 -0.190 -16.030 601 HA ALA 81 HA ALA 81 9.641 -2.205 -14.230 602 HB1 ALA 81 1HB ALA 81 11.413 -0.760 -13.437 603 HB2 ALA 81 2HB ALA 81 10.631 0.640 -14.169 604 HB3 ALA 81 3HB ALA 81 11.279 -0.641 -15.192 605 H GLU 82 H GLU 82 7.574 0.523 -13.835 606 HA GLU 82 HA GLU 82 7.719 0.992 -11.094 607 HB2 GLU 82 2HB GLU 82 6.549 2.562 -12.382 608 HB3 GLU 82 1HB GLU 82 5.586 1.329 -13.179 609 HG2 GLU 82 2HG GLU 82 4.213 2.588 -11.690 610 HG3 GLU 82 1HG GLU 82 4.383 0.944 -11.085 611 H THR 83 H THR 83 5.317 -1.029 -12.808 612 HA THR 83 HA THR 83 4.125 -2.036 -10.498 613 HB THR 83 HB THR 83 4.293 -3.801 -12.895 614 HG1 THR 83 1HG THR 83 2.739 -1.409 -12.875 615 HG21 THR 83 3HG2 THR 83 2.845 -4.348 -10.980 616 HG22 THR 83 1HG2 THR 83 1.911 -4.066 -12.449 617 HG23 THR 83 2HG2 THR 83 1.992 -2.820 -11.203 618 H LYS 84 H LYS 84 7.010 -3.032 -12.213 619 HA LYS 84 HA LYS 84 7.263 -5.637 -11.200 620 HB2 LYS 84 2HB LYS 84 9.478 -3.749 -12.010 621 HB3 LYS 84 1HB LYS 84 9.558 -5.503 -11.953 622 HG2 LYS 84 2HG LYS 84 7.828 -3.871 -13.780 623 HG3 LYS 84 1HG LYS 84 9.326 -4.692 -14.226 624 HD2 LYS 84 2HD LYS 84 8.299 -6.851 -13.625 625 HD3 LYS 84 1HD LYS 84 6.796 -6.013 -13.236 626 HE2 LYS 84 2HE LYS 84 6.596 -5.267 -15.540 627 HE3 LYS 84 1HE LYS 84 8.129 -6.041 -15.938 628 HZ1 LYS 84 3HZ LYS 84 7.111 -8.181 -15.299 629 HZ2 LYS 84 1HZ LYS 84 6.341 -7.452 -16.617 630 HZ3 LYS 84 2HZ LYS 84 5.623 -7.396 -15.083 631 H VAL 85 H VAL 85 9.053 -2.726 -10.257 632 HA VAL 85 HA VAL 85 10.195 -3.923 -7.950 633 HB VAL 85 HB VAL 85 11.403 -2.151 -8.954 634 HG11 VAL 85 1HG1 VAL 85 9.564 -1.089 -10.121 635 HG12 VAL 85 2HG1 VAL 85 10.509 0.109 -9.228 636 HG13 VAL 85 3HG1 VAL 85 8.955 -0.435 -8.596 637 HG21 VAL 85 3HG2 VAL 85 10.168 -1.092 -6.411 638 HG22 VAL 85 1HG2 VAL 85 11.654 -0.493 -7.153 639 HG23 VAL 85 2HG2 VAL 85 11.580 -2.143 -6.532 640 H PHE 86 H PHE 86 7.365 -1.921 -8.524 641 HA PHE 86 HA PHE 86 6.709 -1.382 -5.849 642 HB2 PHE 86 2HB PHE 86 5.727 -0.203 -7.780 643 HB3 PHE 86 1HB PHE 86 4.872 -1.665 -8.240 644 HD1 PHE 86 1HD PHE 86 5.163 0.917 -5.610 645 HD2 PHE 86 2HD PHE 86 2.802 -2.211 -7.258 646 HE1 PHE 86 1HE PHE 86 3.278 1.595 -4.182 647 HE2 PHE 86 2HE PHE 86 0.908 -1.540 -5.832 648 HZ PHE 86 HZ PHE 86 1.146 0.366 -4.292 649 H LEU 87 H LEU 87 5.760 -4.058 -8.007 650 HA LEU 87 HA LEU 87 4.216 -5.495 -6.142 651 HB2 LEU 87 2HB LEU 87 5.873 -6.399 -8.493 652 HB3 LEU 87 1HB LEU 87 4.948 -7.521 -7.519 653 HG LEU 87 HG LEU 87 3.688 -5.189 -8.953 654 HD11 LEU 87 1HD1 LEU 87 3.019 -6.788 -10.676 655 HD12 LEU 87 2HD1 LEU 87 3.981 -8.040 -9.890 656 HD13 LEU 87 3HD1 LEU 87 4.773 -6.629 -10.593 657 HD21 LEU 87 3HD2 LEU 87 1.657 -6.610 -8.712 658 HD22 LEU 87 1HD2 LEU 87 2.325 -6.046 -7.181 659 HD23 LEU 87 2HD2 LEU 87 2.602 -7.707 -7.703 660 H LYS 88 H LYS 88 7.670 -5.512 -6.855 661 HA LYS 88 HA LYS 88 8.320 -7.733 -5.266 662 HB2 LYS 88 2HB LYS 88 10.000 -5.476 -6.331 663 HB3 LYS 88 1HB LYS 88 10.676 -6.829 -5.430 664 HG2 LYS 88 2HG LYS 88 9.019 -7.223 -7.896 665 HG3 LYS 88 1HG LYS 88 10.769 -6.983 -7.948 666 HD2 LYS 88 2HD LYS 88 11.095 -8.912 -6.515 667 HD3 LYS 88 1HD LYS 88 9.351 -9.140 -6.389 668 HE2 LYS 88 2HE LYS 88 10.838 -9.200 -9.004 669 HE3 LYS 88 1HE LYS 88 10.528 -10.640 -8.037 670 HZ1 LYS 88 3HZ LYS 88 8.158 -10.216 -8.220 671 HZ2 LYS 88 1HZ LYS 88 8.859 -10.344 -9.758 672 HZ3 LYS 88 2HZ LYS 88 8.454 -8.825 -9.142 673 H ALA 89 H ALA 89 7.668 -4.479 -4.342 674 HA ALA 89 HA ALA 89 9.006 -4.349 -1.898 675 HB1 ALA 89 1HB ALA 89 6.177 -3.410 -2.353 676 HB2 ALA 89 2HB ALA 89 7.605 -2.522 -2.884 677 HB3 ALA 89 3HB ALA 89 7.327 -2.804 -1.165 678 H GLY 90 H GLY 90 6.082 -6.045 -2.838 679 HA2 GLY 90 2HA GLY 90 5.903 -7.234 -0.147 680 HA3 GLY 90 1HA GLY 90 4.601 -7.196 -1.330 681 H ASP 91 H ASP 91 5.821 -8.073 -3.587 682 HA ASP 91 HA ASP 91 5.769 -10.861 -3.327 683 HB2 ASP 91 2HB ASP 91 5.302 -9.924 -5.457 684 HB3 ASP 91 1HB ASP 91 6.835 -9.059 -5.499 685 H SER 92 H SER 92 7.172 -11.793 -1.970 686 HA SER 92 HA SER 92 10.023 -11.137 -2.167 687 HB2 SER 92 2HB SER 92 8.651 -12.918 -0.144 688 HB3 SER 92 1HB SER 92 10.261 -12.204 -0.030 689 HG SER 92 HG SER 92 7.876 -10.666 -0.215 690 H ASP 93 H ASP 93 7.802 -13.203 -3.440 691 HA ASP 93 HA ASP 93 9.428 -15.618 -3.394 692 HB2 ASP 93 2HB ASP 93 6.874 -15.186 -4.946 693 HB3 ASP 93 1HB ASP 93 7.598 -16.717 -4.477 694 H GLY 94 H GLY 94 8.851 -12.919 -5.401 695 HA2 GLY 94 2HA GLY 94 9.748 -12.366 -7.473 696 HA3 GLY 94 1HA GLY 94 10.490 -13.963 -7.552 697 H ASP 95 H ASP 95 7.132 -13.298 -6.849 698 HA ASP 95 HA ASP 95 6.393 -15.104 -9.012 699 HB2 ASP 95 2HB ASP 95 4.129 -15.065 -7.924 700 HB3 ASP 95 1HB ASP 95 5.423 -15.689 -6.913 701 H GLY 96 H GLY 96 6.362 -11.754 -8.294 702 HA2 GLY 96 2HA GLY 96 5.912 -10.014 -9.768 703 HA3 GLY 96 1HA GLY 96 5.318 -11.191 -10.932 704 H LYS 97 H LYS 97 4.162 -11.090 -7.667 705 HA LYS 97 HA LYS 97 1.685 -9.686 -8.403 706 HB2 LYS 97 2HB LYS 97 0.294 -11.496 -7.990 707 HB3 LYS 97 1HB LYS 97 1.641 -12.289 -8.789 708 HG2 LYS 97 2HG LYS 97 2.521 -12.614 -6.333 709 HG3 LYS 97 1HG LYS 97 0.814 -12.374 -5.930 710 HD2 LYS 97 2HD LYS 97 1.908 -14.451 -7.827 711 HD3 LYS 97 1HD LYS 97 1.300 -14.744 -6.199 712 HE2 LYS 97 2HE LYS 97 -0.917 -14.098 -6.847 713 HE3 LYS 97 1HE LYS 97 -0.350 -13.571 -8.429 714 HZ1 LYS 97 3HZ LYS 97 -0.353 -16.363 -7.421 715 HZ2 LYS 97 1HZ LYS 97 0.246 -15.872 -8.922 716 HZ3 LYS 97 2HZ LYS 97 -1.400 -15.720 -8.583 717 H ILE 98 H ILE 98 0.267 -9.603 -6.310 718 HA ILE 98 HA ILE 98 2.145 -9.230 -4.072 719 HB ILE 98 HB ILE 98 -0.495 -7.899 -4.631 720 HG12 ILE 98 2HG1 ILE 98 1.386 -6.913 -5.793 721 HG13 ILE 98 1HG1 ILE 98 0.876 -5.837 -4.497 722 HG21 ILE 98 1HG2 ILE 98 1.183 -7.588 -2.161 723 HG22 ILE 98 2HG2 ILE 98 -0.306 -8.527 -2.254 724 HG23 ILE 98 3HG2 ILE 98 -0.346 -6.785 -2.521 725 HD11 ILE 98 3HD1 ILE 98 3.236 -5.871 -4.492 726 HD12 ILE 98 1HD1 ILE 98 3.280 -7.632 -4.561 727 HD13 ILE 98 2HD1 ILE 98 2.709 -6.820 -3.104 728 H GLY 99 H GLY 99 2.144 -11.167 -3.043 729 HA2 GLY 99 2HA GLY 99 -0.163 -12.613 -2.342 730 HA3 GLY 99 1HA GLY 99 1.328 -12.555 -1.394 731 H VAL 100 H VAL 100 -1.673 -12.256 -0.772 732 HA VAL 100 HA VAL 100 -2.210 -9.622 -0.049 733 HB VAL 100 HB VAL 100 -3.252 -12.282 0.793 734 HG11 VAL 100 1HG1 VAL 100 -3.433 -11.018 2.832 735 HG12 VAL 100 2HG1 VAL 100 -5.030 -11.151 2.097 736 HG13 VAL 100 3HG1 VAL 100 -4.118 -9.649 1.962 737 HG21 VAL 100 3HG2 VAL 100 -4.526 -9.920 -0.582 738 HG22 VAL 100 1HG2 VAL 100 -5.249 -11.513 -0.362 739 HG23 VAL 100 2HG2 VAL 100 -3.833 -11.317 -1.401 740 H ASP 101 H ASP 101 -0.767 -12.250 1.808 741 HA ASP 101 HA ASP 101 -0.345 -10.768 4.184 742 HB2 ASP 101 2HB ASP 101 -0.324 -13.247 4.037 743 HB3 ASP 101 1HB ASP 101 1.187 -13.156 3.136 744 H GLU 102 H GLU 102 1.449 -11.211 1.226 745 HA GLU 102 HA GLU 102 3.887 -10.030 2.043 746 HB2 GLU 102 2HB GLU 102 2.718 -10.167 -0.752 747 HB3 GLU 102 1HB GLU 102 4.404 -9.870 -0.339 748 HG2 GLU 102 2HG GLU 102 4.368 -12.148 0.788 749 HG3 GLU 102 1HG GLU 102 2.839 -12.410 -0.041 750 H PHE 103 H PHE 103 0.880 -8.745 0.740 751 HA PHE 103 HA PHE 103 1.771 -6.141 0.183 752 HB2 PHE 103 2HB PHE 103 -0.455 -7.116 -0.499 753 HB3 PHE 103 1HB PHE 103 -0.995 -6.867 1.156 754 HD1 PHE 103 2HD PHE 103 0.384 -5.057 -1.782 755 HD2 PHE 103 1HD PHE 103 -1.895 -4.816 1.798 756 HE1 PHE 103 2HE PHE 103 -0.240 -2.750 -2.344 757 HE2 PHE 103 1HE PHE 103 -2.518 -2.507 1.244 758 HZ PHE 103 HZ PHE 103 -1.694 -1.468 -0.827 759 H GLY 104 H GLY 104 0.349 -7.551 3.124 760 HA2 GLY 104 2HA GLY 104 0.410 -5.304 4.764 761 HA3 GLY 104 1HA GLY 104 0.676 -6.947 5.333 762 H ALA 105 H ALA 105 3.013 -7.578 4.026 763 HA ALA 105 HA ALA 105 4.956 -6.422 5.705 764 HB1 ALA 105 1HB ALA 105 5.383 -8.000 3.171 765 HB2 ALA 105 2HB ALA 105 5.138 -8.686 4.777 766 HB3 ALA 105 3HB ALA 105 6.573 -7.717 4.441 767 H MET 106 H MET 106 4.117 -5.771 2.305 768 HA MET 106 HA MET 106 6.381 -4.080 1.860 769 HB2 MET 106 2HB MET 106 5.461 -3.605 -0.276 770 HB3 MET 106 1HB MET 106 5.102 -5.292 0.058 771 HG2 MET 106 2HG MET 106 2.856 -4.430 0.902 772 HG3 MET 106 1HG MET 106 3.256 -2.941 0.060 773 HE1 MET 106 3HE MET 106 3.452 -2.608 -2.306 774 HE2 MET 106 1HE MET 106 2.878 -3.687 -3.580 775 HE3 MET 106 2HE MET 106 4.494 -3.899 -2.910 776 H ILE 107 H ILE 107 3.265 -3.569 3.257 777 HA ILE 107 HA ILE 107 3.173 -0.738 2.830 778 HB ILE 107 HB ILE 107 1.790 -2.370 4.985 779 HG12 ILE 107 2HG1 ILE 107 0.631 -1.399 2.377 780 HG13 ILE 107 1HG1 ILE 107 1.270 -3.025 2.606 781 HG21 ILE 107 1HG2 ILE 107 0.254 -0.486 5.149 782 HG22 ILE 107 2HG2 ILE 107 1.201 0.396 3.952 783 HG23 ILE 107 3HG2 ILE 107 1.907 0.003 5.518 784 HD11 ILE 107 3HD1 ILE 107 -0.369 -3.413 4.373 785 HD12 ILE 107 1HD1 ILE 107 -1.138 -2.994 2.843 786 HD13 ILE 107 2HD1 ILE 107 -1.012 -1.789 4.125 787 H LYS 108 H LYS 108 4.340 -2.950 5.219 788 HA LYS 108 HA LYS 108 5.166 -0.871 7.060 789 HB2 LYS 108 2HB LYS 108 4.226 -2.833 7.997 790 HB3 LYS 108 1HB LYS 108 5.269 -3.881 7.054 791 HG2 LYS 108 2HG LYS 108 6.428 -2.026 9.102 792 HG3 LYS 108 1HG LYS 108 5.715 -3.564 9.583 793 HD2 LYS 108 2HD LYS 108 7.953 -3.225 7.584 794 HD3 LYS 108 1HD LYS 108 8.160 -3.705 9.266 795 HE2 LYS 108 2HE LYS 108 6.585 -5.229 7.190 796 HE3 LYS 108 1HE LYS 108 8.217 -5.618 7.720 797 HZ1 LYS 108 3HZ LYS 108 5.805 -5.610 9.449 798 HZ2 LYS 108 1HZ LYS 108 7.372 -5.999 9.943 799 HZ3 LYS 108 2HZ LYS 108 6.568 -6.984 8.831 800 H ALA 109 H ALA 109 6.532 -2.607 4.441 801 HA ALA 109 HA ALA 109 9.237 -2.665 5.293 802 HB1 ALA 109 1HB ALA 109 8.147 -2.794 2.486 803 HB2 ALA 109 2HB ALA 109 8.347 -4.170 3.571 804 HB3 ALA 109 3HB ALA 109 9.761 -3.280 3.007 Start of MODEL 11 1 H1 MET 1 1HT MET 1 -15.684 11.185 -4.000 2 H2 MET 1 2HT MET 1 -14.717 9.905 -4.527 3 H3 MET 1 3HT MET 1 -14.129 11.485 -4.579 4 HA MET 1 HA MET 1 -13.196 10.219 -2.742 5 HB2 MET 1 2HB MET 1 -13.614 11.894 -1.001 6 HB3 MET 1 1HB MET 1 -13.368 12.648 -2.568 7 HG2 MET 1 2HG MET 1 -15.768 12.974 -2.802 8 HG3 MET 1 1HG MET 1 -16.034 12.186 -1.248 9 HE1 MET 1 2HE MET 1 -16.860 15.899 -0.387 10 HE2 MET 1 3HE MET 1 -17.421 14.228 -0.352 11 HE3 MET 1 1HE MET 1 -17.222 15.058 -1.894 12 H ALA 2 H ALA 2 -15.822 8.892 -3.460 13 HA ALA 2 HA ALA 2 -17.048 8.417 -0.881 14 HB1 ALA 2 1HB ALA 2 -18.433 8.487 -2.893 15 HB2 ALA 2 2HB ALA 2 -18.532 6.913 -2.108 16 HB3 ALA 2 3HB ALA 2 -17.549 7.114 -3.558 17 H PHE 3 H PHE 3 -15.119 7.629 0.171 18 HA PHE 3 HA PHE 3 -14.643 4.791 -0.390 19 HB2 PHE 3 2HB PHE 3 -12.471 6.854 0.034 20 HB3 PHE 3 1HB PHE 3 -12.206 5.114 0.002 21 HD1 PHE 3 1HD PHE 3 -12.787 3.854 -2.117 22 HD2 PHE 3 2HD PHE 3 -12.515 8.095 -1.942 23 HE1 PHE 3 1HE PHE 3 -12.541 3.934 -4.564 24 HE2 PHE 3 2HE PHE 3 -12.269 8.184 -4.389 25 HZ PHE 3 HZ PHE 3 -12.283 6.102 -5.702 26 H ALA 4 H ALA 4 -16.222 6.173 1.567 27 HA ALA 4 HA ALA 4 -16.868 5.811 3.705 28 HB1 ALA 4 1HB ALA 4 -14.575 3.865 3.835 29 HB2 ALA 4 2HB ALA 4 -16.207 3.494 3.278 30 HB3 ALA 4 3HB ALA 4 -15.933 3.964 4.956 31 H GLY 5 H GLY 5 -14.257 7.460 2.903 32 HA2 GLY 5 2HA GLY 5 -13.033 9.084 3.966 33 HA3 GLY 5 1HA GLY 5 -14.088 8.857 5.354 34 H ILE 6 H ILE 6 -12.667 5.924 4.533 35 HA ILE 6 HA ILE 6 -10.952 5.929 6.811 36 HB ILE 6 HB ILE 6 -11.098 3.990 4.497 37 HG12 ILE 6 2HG1 ILE 6 -12.238 3.912 7.296 38 HG13 ILE 6 1HG1 ILE 6 -13.146 4.020 5.792 39 HG21 ILE 6 1HG2 ILE 6 -9.652 3.724 7.129 40 HG22 ILE 6 2HG2 ILE 6 -8.905 3.899 5.540 41 HG23 ILE 6 3HG2 ILE 6 -9.834 2.451 5.923 42 HD11 ILE 6 3HD1 ILE 6 -13.181 1.773 6.776 43 HD12 ILE 6 1HD1 ILE 6 -11.426 1.689 6.609 44 HD13 ILE 6 2HD1 ILE 6 -12.447 1.797 5.173 45 H LEU 7 H LEU 7 -10.536 6.385 3.381 46 HA LEU 7 HA LEU 7 -7.886 7.452 3.933 47 HB2 LEU 7 2HB LEU 7 -7.002 6.571 1.822 48 HB3 LEU 7 1HB LEU 7 -7.430 5.312 2.947 49 HG LEU 7 HG LEU 7 -7.946 4.582 0.736 50 HD11 LEU 7 1HD1 LEU 7 -10.234 3.966 0.887 51 HD12 LEU 7 2HD1 LEU 7 -10.575 5.291 1.993 52 HD13 LEU 7 3HD1 LEU 7 -9.542 3.957 2.509 53 HD21 LEU 7 3HD2 LEU 7 -9.525 5.718 -0.738 54 HD22 LEU 7 1HD2 LEU 7 -8.101 6.702 -0.405 55 HD23 LEU 7 2HD2 LEU 7 -9.626 7.055 0.407 56 H ASN 8 H ASN 8 -7.267 9.199 2.685 57 HA ASN 8 HA ASN 8 -9.538 10.693 1.630 58 HB2 ASN 8 2HB ASN 8 -6.662 11.552 2.072 59 HB3 ASN 8 1HB ASN 8 -7.995 12.612 1.635 60 HD21 ASN 8 1HD2 ASN 8 -9.897 11.283 3.400 61 HD22 ASN 8 2HD2 ASN 8 -9.472 11.762 5.004 62 H ASP 9 H ASP 9 -10.000 10.293 -0.433 63 HA ASP 9 HA ASP 9 -8.313 9.010 -2.252 64 HB2 ASP 9 2HB ASP 9 -10.071 9.083 -3.708 65 HB3 ASP 9 1HB ASP 9 -10.936 9.516 -2.241 66 H ALA 10 H ALA 10 -8.769 12.389 -1.562 67 HA ALA 10 HA ALA 10 -7.467 13.444 -3.838 68 HB1 ALA 10 1HB ALA 10 -7.297 15.508 -2.537 69 HB2 ALA 10 2HB ALA 10 -7.753 14.627 -1.079 70 HB3 ALA 10 3HB ALA 10 -8.903 14.795 -2.404 71 H ASP 11 H ASP 11 -6.294 12.328 -0.709 72 HA ASP 11 HA ASP 11 -3.621 13.256 -1.096 73 HB2 ASP 11 2HB ASP 11 -4.896 11.362 0.859 74 HB3 ASP 11 1HB ASP 11 -3.150 11.577 0.808 75 H ILE 12 H ILE 12 -5.268 10.184 -1.474 76 HA ILE 12 HA ILE 12 -3.113 8.659 -2.400 77 HB ILE 12 HB ILE 12 -6.074 8.546 -2.797 78 HG12 ILE 12 2HG1 ILE 12 -5.727 6.278 -1.746 79 HG13 ILE 12 1HG1 ILE 12 -4.035 6.703 -1.540 80 HG21 ILE 12 1HG2 ILE 12 -4.100 6.743 -4.193 81 HG22 ILE 12 2HG2 ILE 12 -5.241 7.853 -4.953 82 HG23 ILE 12 3HG2 ILE 12 -5.834 6.444 -4.074 83 HD11 ILE 12 3HD1 ILE 12 -6.378 8.136 -0.315 84 HD12 ILE 12 1HD1 ILE 12 -4.680 8.563 -0.103 85 HD13 ILE 12 2HD1 ILE 12 -5.284 7.023 0.509 86 H THR 13 H THR 13 -5.469 10.636 -4.169 87 HA THR 13 HA THR 13 -4.424 10.230 -6.744 88 HB THR 13 HB THR 13 -5.929 12.648 -5.707 89 HG1 THR 13 1HG THR 13 -7.110 10.728 -5.381 90 HG21 THR 13 3HG2 THR 13 -6.631 12.941 -8.037 91 HG22 THR 13 1HG2 THR 13 -5.614 11.582 -8.518 92 HG23 THR 13 2HG2 THR 13 -4.879 13.054 -7.880 93 H ALA 14 H ALA 14 -3.549 12.498 -4.192 94 HA ALA 14 HA ALA 14 -1.891 14.185 -5.736 95 HB1 ALA 14 1HB ALA 14 -2.693 14.781 -3.495 96 HB2 ALA 14 2HB ALA 14 -0.940 14.908 -3.619 97 HB3 ALA 14 3HB ALA 14 -1.668 13.526 -2.802 98 H ALA 15 H ALA 15 -1.102 11.390 -3.669 99 HA ALA 15 HA ALA 15 1.618 11.228 -4.265 100 HB1 ALA 15 1HB ALA 15 0.528 9.956 -2.468 101 HB2 ALA 15 2HB ALA 15 1.489 8.918 -3.521 102 HB3 ALA 15 3HB ALA 15 -0.267 8.948 -3.676 103 H LEU 16 H LEU 16 -1.168 9.789 -5.911 104 HA LEU 16 HA LEU 16 0.362 8.365 -7.834 105 HB2 LEU 16 2HB LEU 16 -2.529 9.213 -7.797 106 HB3 LEU 16 1HB LEU 16 -1.833 8.191 -9.037 107 HG LEU 16 HG LEU 16 -1.795 7.469 -6.114 108 HD11 LEU 16 1HD1 LEU 16 -4.101 7.688 -6.838 109 HD12 LEU 16 2HD1 LEU 16 -3.678 5.990 -6.610 110 HD13 LEU 16 3HD1 LEU 16 -3.772 6.667 -8.236 111 HD21 LEU 16 3HD2 LEU 16 -1.368 5.222 -6.964 112 HD22 LEU 16 1HD2 LEU 16 -0.129 6.350 -7.514 113 HD23 LEU 16 2HD2 LEU 16 -1.404 5.832 -8.618 114 H ALA 17 H ALA 17 -0.838 11.632 -7.677 115 HA ALA 17 HA ALA 17 -0.530 12.267 -10.423 116 HB1 ALA 17 1HB ALA 17 -0.416 14.092 -8.025 117 HB2 ALA 17 2HB ALA 17 -1.869 13.654 -8.925 118 HB3 ALA 17 3HB ALA 17 -0.601 14.602 -9.703 119 H ALA 18 H ALA 18 1.653 12.133 -7.706 120 HA ALA 18 HA ALA 18 3.866 13.209 -9.250 121 HB1 ALA 18 1HB ALA 18 3.746 13.591 -6.824 122 HB2 ALA 18 2HB ALA 18 5.214 12.728 -7.280 123 HB3 ALA 18 3HB ALA 18 3.868 11.852 -6.552 124 H CYS 19 H CYS 19 2.698 10.113 -8.076 125 HA CYS 19 HA CYS 19 4.928 8.662 -9.226 126 HB2 CYS 19 2HB CYS 19 4.061 8.059 -7.015 127 HB3 CYS 19 1HB CYS 19 2.481 7.720 -7.708 128 HG CYS 19 HG CYS 19 3.384 5.529 -9.200 129 H LYS 20 H LYS 20 3.099 10.070 -11.044 130 HA LYS 20 HA LYS 20 1.986 7.822 -12.529 131 HB2 LYS 20 2HB LYS 20 0.940 9.529 -13.908 132 HB3 LYS 20 1HB LYS 20 0.550 9.790 -12.224 133 HG2 LYS 20 2HG LYS 20 2.186 11.573 -12.105 134 HG3 LYS 20 1HG LYS 20 2.655 11.278 -13.782 135 HD2 LYS 20 2HD LYS 20 0.383 11.849 -14.506 136 HD3 LYS 20 1HD LYS 20 -0.072 12.156 -12.831 137 HE2 LYS 20 2HE LYS 20 0.417 14.236 -14.006 138 HE3 LYS 20 1HE LYS 20 1.567 13.952 -12.703 139 HZ1 LYS 20 3HZ LYS 20 2.100 13.298 -15.549 140 HZ2 LYS 20 1HZ LYS 20 3.206 13.261 -14.269 141 HZ3 LYS 20 2HZ LYS 20 2.582 14.737 -14.807 142 H ALA 21 H ALA 21 4.778 9.589 -12.230 143 HA ALA 21 HA ALA 21 5.509 9.905 -14.969 144 HB1 ALA 21 1HB ALA 21 7.208 9.970 -12.480 145 HB2 ALA 21 2HB ALA 21 6.419 11.353 -13.238 146 HB3 ALA 21 3HB ALA 21 7.710 10.501 -14.085 147 H GLU 22 H GLU 22 5.941 8.260 -16.266 148 HA GLU 22 HA GLU 22 6.559 5.653 -15.428 149 HB2 GLU 22 2HB GLU 22 7.109 6.954 -18.101 150 HB3 GLU 22 1HB GLU 22 7.115 5.223 -17.783 151 HG2 GLU 22 2HG GLU 22 4.728 5.389 -17.131 152 HG3 GLU 22 1HG GLU 22 4.757 7.084 -17.618 153 H GLY 23 H GLY 23 8.388 4.730 -14.811 154 HA2 GLY 23 2HA GLY 23 10.680 4.360 -14.637 155 HA3 GLY 23 1HA GLY 23 10.965 5.822 -15.571 156 H SER 24 H SER 24 8.779 6.582 -13.208 157 HA SER 24 HA SER 24 10.725 7.058 -11.098 158 HB2 SER 24 2HB SER 24 9.250 9.327 -12.462 159 HB3 SER 24 1HB SER 24 10.263 9.477 -11.024 160 HG SER 24 HG SER 24 11.753 8.245 -12.764 161 H PHE 25 H PHE 25 9.145 5.425 -10.297 162 HA PHE 25 HA PHE 25 6.662 6.671 -9.310 163 HB2 PHE 25 2HB PHE 25 7.373 3.734 -9.480 164 HB3 PHE 25 1HB PHE 25 5.826 4.399 -8.981 165 HD1 PHE 25 2HD PHE 25 4.358 5.481 -10.649 166 HD2 PHE 25 1HD PHE 25 7.943 3.490 -11.770 167 HE1 PHE 25 2HE PHE 25 3.563 5.371 -12.972 168 HE2 PHE 25 1HE PHE 25 7.154 3.373 -14.096 169 HZ PHE 25 HZ PHE 25 4.960 4.313 -14.700 170 H ASP 26 H ASP 26 6.146 6.511 -7.104 171 HA ASP 26 HA ASP 26 8.298 5.485 -5.378 172 HB2 ASP 26 2HB ASP 26 6.699 8.019 -5.042 173 HB3 ASP 26 1HB ASP 26 7.583 7.267 -3.720 174 H HIS 27 H HIS 27 7.257 3.558 -5.210 175 HA HIS 27 HA HIS 27 4.524 3.228 -4.589 176 HB2 HIS 27 2HB HIS 27 6.100 1.627 -5.755 177 HB3 HIS 27 1HB HIS 27 6.757 1.248 -4.172 178 HD1 HIS 27 1HD HIS 27 4.275 0.204 -6.548 179 HD2 HIS 27 2HD HIS 27 4.700 0.068 -2.411 180 HE1 HIS 27 1HE HIS 27 2.670 -1.569 -5.752 181 HE2 HIS 27 2HE HIS 27 3.160 -1.810 -3.291 182 H LYS 28 H LYS 28 7.451 2.994 -2.639 183 HA LYS 28 HA LYS 28 6.161 2.369 -0.200 184 HB2 LYS 28 2HB LYS 28 8.569 2.028 -0.647 185 HB3 LYS 28 1HB LYS 28 8.767 3.774 -0.684 186 HG2 LYS 28 2HG LYS 28 8.229 3.955 1.641 187 HG3 LYS 28 1HG LYS 28 7.790 2.246 1.716 188 HD2 LYS 28 2HD LYS 28 10.109 1.640 1.181 189 HD3 LYS 28 1HD LYS 28 10.539 3.350 1.140 190 HE2 LYS 28 2HE LYS 28 10.033 3.596 3.469 191 HE3 LYS 28 1HE LYS 28 9.373 1.962 3.546 192 HZ1 LYS 28 3HZ LYS 28 12.206 2.676 3.021 193 HZ2 LYS 28 1HZ LYS 28 11.583 1.104 3.044 194 HZ3 LYS 28 2HZ LYS 28 11.591 2.028 4.459 195 H ALA 29 H ALA 29 7.346 5.405 -1.601 196 HA ALA 29 HA ALA 29 6.606 7.112 0.475 197 HB1 ALA 29 1HB ALA 29 6.902 8.904 -1.003 198 HB2 ALA 29 2HB ALA 29 6.479 7.929 -2.405 199 HB3 ALA 29 3HB ALA 29 8.014 7.660 -1.578 200 H PHE 30 H PHE 30 4.743 5.723 -2.141 201 HA PHE 30 HA PHE 30 2.416 7.225 -1.941 202 HB2 PHE 30 2HB PHE 30 2.721 5.607 -3.721 203 HB3 PHE 30 1HB PHE 30 2.762 4.284 -2.562 204 HD1 PHE 30 1HD PHE 30 0.568 6.919 -3.971 205 HD2 PHE 30 2HD PHE 30 0.794 3.207 -1.901 206 HE1 PHE 30 1HE PHE 30 -1.865 6.641 -4.206 207 HE2 PHE 30 2HE PHE 30 -1.638 2.924 -2.133 208 HZ PHE 30 HZ PHE 30 -2.971 4.642 -3.287 209 H PHE 31 H PHE 31 3.208 4.175 -0.216 210 HA PHE 31 HA PHE 31 0.826 4.139 1.291 211 HB2 PHE 31 2HB PHE 31 3.477 2.927 2.096 212 HB3 PHE 31 1HB PHE 31 1.906 2.538 2.772 213 HD1 PHE 31 1HD PHE 31 0.186 2.260 0.489 214 HD2 PHE 31 2HD PHE 31 4.241 1.077 0.974 215 HE1 PHE 31 1HE PHE 31 -0.135 0.493 -1.190 216 HE2 PHE 31 2HE PHE 31 3.930 -0.689 -0.705 217 HZ PHE 31 HZ PHE 31 1.739 -0.982 -1.792 218 H THR 32 H THR 32 3.993 5.528 2.070 219 HA THR 32 HA THR 32 3.174 6.219 4.724 220 HB THR 32 HB THR 32 5.492 5.782 4.441 221 HG1 THR 32 1HG THR 32 4.613 8.050 5.465 222 HG21 THR 32 3HG2 THR 32 5.829 6.226 2.117 223 HG22 THR 32 1HG2 THR 32 6.939 7.246 3.030 224 HG23 THR 32 2HG2 THR 32 5.473 7.943 2.340 225 H LYS 33 H LYS 33 2.891 7.731 1.658 226 HA LYS 33 HA LYS 33 2.567 10.397 2.711 227 HB2 LYS 33 2HB LYS 33 3.486 9.954 0.466 228 HB3 LYS 33 1HB LYS 33 1.928 9.313 -0.029 229 HG2 LYS 33 2HG LYS 33 0.889 11.453 0.220 230 HG3 LYS 33 1HG LYS 33 2.349 12.130 0.940 231 HD2 LYS 33 2HD LYS 33 2.156 11.051 -1.871 232 HD3 LYS 33 1HD LYS 33 2.046 12.757 -1.439 233 HE2 LYS 33 2HE LYS 33 4.308 12.605 -0.444 234 HE3 LYS 33 1HE LYS 33 4.409 10.935 -0.995 235 HZ1 LYS 33 3HZ LYS 33 4.063 13.298 -2.755 236 HZ2 LYS 33 1HZ LYS 33 4.216 11.693 -3.261 237 HZ3 LYS 33 2HZ LYS 33 5.515 12.467 -2.509 238 H VAL 34 H VAL 34 0.431 7.892 1.377 239 HA VAL 34 HA VAL 34 -1.914 9.452 1.840 240 HB VAL 34 HB VAL 34 -3.100 7.571 0.984 241 HG11 VAL 34 1HG1 VAL 34 -1.993 7.257 -1.180 242 HG12 VAL 34 2HG1 VAL 34 -0.522 7.951 -0.502 243 HG13 VAL 34 3HG1 VAL 34 -1.974 8.940 -0.654 244 HG21 VAL 34 3HG2 VAL 34 -0.544 6.007 1.203 245 HG22 VAL 34 1HG2 VAL 34 -2.036 5.434 0.457 246 HG23 VAL 34 2HG2 VAL 34 -1.990 5.780 2.186 247 H GLY 35 H GLY 35 0.055 7.529 3.780 248 HA2 GLY 35 2HA GLY 35 -0.151 7.130 6.051 249 HA3 GLY 35 1HA GLY 35 -1.786 7.765 5.984 250 H LEU 36 H LEU 36 -0.769 5.235 3.822 251 HA LEU 36 HA LEU 36 -2.859 3.521 4.798 252 HB2 LEU 36 2HB LEU 36 -2.089 3.754 2.377 253 HB3 LEU 36 1HB LEU 36 -0.705 2.777 2.826 254 HG LEU 36 HG LEU 36 -2.273 0.954 3.498 255 HD11 LEU 36 1HD1 LEU 36 -4.591 1.079 2.711 256 HD12 LEU 36 2HD1 LEU 36 -4.333 2.759 2.241 257 HD13 LEU 36 3HD1 LEU 36 -4.244 2.296 3.938 258 HD21 LEU 36 3HD2 LEU 36 -1.204 0.902 1.323 259 HD22 LEU 36 1HD2 LEU 36 -2.474 1.926 0.651 260 HD23 LEU 36 2HD2 LEU 36 -2.855 0.295 1.203 261 H ALA 37 H ALA 37 0.379 4.039 5.583 262 HA ALA 37 HA ALA 37 1.080 1.405 6.436 263 HB1 ALA 37 1HB ALA 37 2.293 4.049 7.230 264 HB2 ALA 37 2HB ALA 37 2.753 3.096 5.820 265 HB3 ALA 37 3HB ALA 37 3.019 2.455 7.443 266 H ALA 38 H ALA 38 -0.973 3.752 7.700 267 HA ALA 38 HA ALA 38 -0.640 2.790 10.452 268 HB1 ALA 38 1HB ALA 38 -2.159 5.184 9.421 269 HB2 ALA 38 2HB ALA 38 -0.561 5.213 10.163 270 HB3 ALA 38 3HB ALA 38 -1.966 4.735 11.114 271 H LYS 39 H LYS 39 -1.966 1.293 8.255 272 HA LYS 39 HA LYS 39 -4.759 1.325 9.104 273 HB2 LYS 39 2HB LYS 39 -3.387 -0.147 6.853 274 HB3 LYS 39 1HB LYS 39 -5.099 -0.317 7.232 275 HG2 LYS 39 2HG LYS 39 -3.631 2.102 6.208 276 HG3 LYS 39 1HG LYS 39 -4.972 1.226 5.463 277 HD2 LYS 39 2HD LYS 39 -6.435 1.950 7.317 278 HD3 LYS 39 1HD LYS 39 -5.092 2.876 7.985 279 HE2 LYS 39 2HE LYS 39 -5.003 4.142 5.835 280 HE3 LYS 39 1HE LYS 39 -6.484 3.312 5.352 281 HZ1 LYS 39 3HZ LYS 39 -7.551 4.233 7.351 282 HZ2 LYS 39 1HZ LYS 39 -7.020 5.441 6.295 283 HZ3 LYS 39 2HZ LYS 39 -6.144 5.098 7.699 284 H SER 40 H SER 40 -5.747 -0.259 10.138 285 HA SER 40 HA SER 40 -4.152 -2.259 11.476 286 HB2 SER 40 2HB SER 40 -6.059 -0.919 12.527 287 HB3 SER 40 1HB SER 40 -7.162 -1.895 11.561 288 HG SER 40 HG SER 40 -6.978 -3.408 12.989 289 HA PRO 41 HA PRO 41 -4.520 -5.749 8.798 290 HB2 PRO 41 2HB PRO 41 -6.155 -7.002 10.973 291 HB3 PRO 41 1HB PRO 41 -4.848 -7.702 10.011 292 HG2 PRO 41 2HG PRO 41 -4.381 -6.836 12.478 293 HG3 PRO 41 1HG PRO 41 -3.197 -6.569 11.185 294 HD2 PRO 41 2HD PRO 41 -5.012 -4.635 12.512 295 HD3 PRO 41 1HD PRO 41 -3.438 -4.364 11.744 296 H ALA 42 H ALA 42 -7.545 -4.870 10.446 297 HA ALA 42 HA ALA 42 -9.341 -6.128 8.717 298 HB1 ALA 42 1HB ALA 42 -9.976 -5.197 10.885 299 HB2 ALA 42 2HB ALA 42 -11.016 -4.601 9.591 300 HB3 ALA 42 3HB ALA 42 -9.748 -3.568 10.250 301 H ASP 43 H ASP 43 -7.985 -2.829 8.540 302 HA ASP 43 HA ASP 43 -9.513 -2.262 6.161 303 HB2 ASP 43 2HB ASP 43 -8.856 -0.504 7.863 304 HB3 ASP 43 1HB ASP 43 -7.216 -0.622 7.231 305 H ILE 44 H ILE 44 -6.308 -3.389 6.934 306 HA ILE 44 HA ILE 44 -5.347 -3.168 4.257 307 HB ILE 44 HB ILE 44 -4.412 -4.679 6.671 308 HG12 ILE 44 2HG1 ILE 44 -3.859 -2.365 6.669 309 HG13 ILE 44 1HG1 ILE 44 -2.384 -3.251 6.292 310 HG21 ILE 44 1HG2 ILE 44 -2.452 -5.462 5.406 311 HG22 ILE 44 2HG2 ILE 44 -3.186 -4.865 3.919 312 HG23 ILE 44 3HG2 ILE 44 -3.949 -6.180 4.813 313 HD11 ILE 44 3HD1 ILE 44 -4.121 -1.700 4.395 314 HD12 ILE 44 1HD1 ILE 44 -2.800 -2.752 3.885 315 HD13 ILE 44 2HD1 ILE 44 -2.468 -1.343 4.893 316 H LYS 45 H LYS 45 -7.427 -5.341 5.921 317 HA LYS 45 HA LYS 45 -7.259 -7.522 4.096 318 HB2 LYS 45 2HB LYS 45 -8.197 -7.646 6.429 319 HB3 LYS 45 1HB LYS 45 -9.613 -6.785 5.838 320 HG2 LYS 45 2HG LYS 45 -10.067 -9.146 5.912 321 HG3 LYS 45 1HG LYS 45 -10.018 -8.605 4.232 322 HD2 LYS 45 2HD LYS 45 -7.670 -9.402 4.098 323 HD3 LYS 45 1HD LYS 45 -7.832 -10.047 5.732 324 HE2 LYS 45 2HE LYS 45 -9.428 -10.848 3.310 325 HE3 LYS 45 1HE LYS 45 -8.165 -11.798 4.091 326 HZ1 LYS 45 3HZ LYS 45 -9.591 -11.757 6.125 327 HZ2 LYS 45 1HZ LYS 45 -10.232 -12.632 4.829 328 HZ3 LYS 45 2HZ LYS 45 -10.829 -11.092 5.184 329 H LYS 46 H LYS 46 -9.394 -4.662 4.315 330 HA LYS 46 HA LYS 46 -10.803 -5.371 1.937 331 HB2 LYS 46 2HB LYS 46 -11.556 -2.998 1.888 332 HB3 LYS 46 1HB LYS 46 -11.861 -3.802 3.416 333 HG2 LYS 46 2HG LYS 46 -11.085 -1.801 4.150 334 HG3 LYS 46 1HG LYS 46 -9.580 -2.713 4.086 335 HD2 LYS 46 2HD LYS 46 -8.997 -0.733 3.045 336 HD3 LYS 46 1HD LYS 46 -9.413 -1.761 1.672 337 HE2 LYS 46 2HE LYS 46 -10.381 0.470 1.451 338 HE3 LYS 46 1HE LYS 46 -11.629 -0.770 1.585 339 HZ1 LYS 46 3HZ LYS 46 -11.915 1.328 2.953 340 HZ2 LYS 46 1HZ LYS 46 -10.677 0.735 3.950 341 HZ3 LYS 46 2HZ LYS 46 -12.117 -0.141 3.765 342 H VAL 47 H VAL 47 -7.803 -3.742 2.622 343 HA VAL 47 HA VAL 47 -7.258 -2.820 0.023 344 HB VAL 47 HB VAL 47 -5.349 -3.707 2.191 345 HG11 VAL 47 1HG1 VAL 47 -4.251 -3.891 0.028 346 HG12 VAL 47 2HG1 VAL 47 -3.612 -2.517 0.929 347 HG13 VAL 47 3HG1 VAL 47 -4.758 -2.253 -0.385 348 HG21 VAL 47 3HG2 VAL 47 -5.007 -1.293 2.498 349 HG22 VAL 47 1HG2 VAL 47 -6.684 -1.762 2.779 350 HG23 VAL 47 2HG2 VAL 47 -6.230 -0.973 1.268 351 H PHE 48 H PHE 48 -6.700 -5.953 1.595 352 HA PHE 48 HA PHE 48 -5.580 -7.438 -0.419 353 HB2 PHE 48 2HB PHE 48 -6.027 -8.796 1.359 354 HB3 PHE 48 1HB PHE 48 -7.555 -8.009 1.712 355 HD1 PHE 48 1HD PHE 48 -6.089 -10.178 -0.982 356 HD2 PHE 48 2HD PHE 48 -9.437 -9.276 1.487 357 HE1 PHE 48 1HE PHE 48 -7.306 -12.086 -1.942 358 HE2 PHE 48 2HE PHE 48 -10.658 -11.180 0.528 359 HZ PHE 48 HZ PHE 48 -9.594 -12.589 -1.187 360 H GLU 49 H GLU 49 -9.018 -6.660 -0.080 361 HA GLU 49 HA GLU 49 -9.812 -7.888 -2.500 362 HB2 GLU 49 2HB GLU 49 -11.144 -5.608 -1.016 363 HB3 GLU 49 1HB GLU 49 -11.908 -6.658 -2.204 364 HG2 GLU 49 2HG GLU 49 -11.591 -8.572 -0.735 365 HG3 GLU 49 1HG GLU 49 -10.788 -7.543 0.447 366 H ILE 50 H ILE 50 -8.215 -4.919 -1.850 367 HA ILE 50 HA ILE 50 -8.919 -3.703 -4.365 368 HB ILE 50 HB ILE 50 -6.642 -2.877 -2.571 369 HG12 ILE 50 2HG1 ILE 50 -9.509 -1.908 -2.540 370 HG13 ILE 50 1HG1 ILE 50 -8.796 -2.967 -1.327 371 HG21 ILE 50 1HG2 ILE 50 -8.271 -1.401 -4.637 372 HG22 ILE 50 2HG2 ILE 50 -6.598 -1.925 -4.809 373 HG23 ILE 50 3HG2 ILE 50 -7.017 -0.688 -3.626 374 HD11 ILE 50 3HD1 ILE 50 -7.132 -1.156 -0.862 375 HD12 ILE 50 1HD1 ILE 50 -8.804 -0.767 -0.446 376 HD13 ILE 50 2HD1 ILE 50 -8.085 -0.110 -1.916 377 H ILE 51 H ILE 51 -5.931 -5.321 -3.091 378 HA ILE 51 HA ILE 51 -4.606 -5.093 -5.610 379 HB ILE 51 HB ILE 51 -3.199 -7.159 -4.762 380 HG12 ILE 51 2HG1 ILE 51 -5.046 -7.193 -2.723 381 HG13 ILE 51 1HG1 ILE 51 -3.418 -7.855 -2.585 382 HG21 ILE 51 1HG2 ILE 51 -3.035 -4.442 -3.457 383 HG22 ILE 51 2HG2 ILE 51 -2.368 -4.901 -5.023 384 HG23 ILE 51 3HG2 ILE 51 -1.736 -5.632 -3.548 385 HD11 ILE 51 3HD1 ILE 51 -3.874 -6.504 -0.669 386 HD12 ILE 51 1HD1 ILE 51 -4.363 -5.140 -1.678 387 HD13 ILE 51 2HD1 ILE 51 -2.680 -5.671 -1.663 388 H ASP 52 H ASP 52 -6.833 -7.375 -4.202 389 HA ASP 52 HA ASP 52 -6.721 -9.100 -6.515 390 HB2 ASP 52 2HB ASP 52 -7.562 -9.667 -4.047 391 HB3 ASP 52 1HB ASP 52 -9.092 -9.075 -4.685 392 H GLN 53 H GLN 53 -6.993 -6.861 -7.725 393 HA GLN 53 HA GLN 53 -9.252 -5.345 -7.880 394 HB2 GLN 53 2HB GLN 53 -7.631 -4.568 -9.288 395 HB3 GLN 53 1HB GLN 53 -7.163 -6.175 -9.811 396 HG2 GLN 53 2HG GLN 53 -8.034 -5.015 -11.686 397 HG3 GLN 53 1HG GLN 53 -9.200 -6.247 -11.226 398 HE21 GLN 53 1HE2 GLN 53 -10.875 -5.208 -12.250 399 HE22 GLN 53 2HE2 GLN 53 -11.584 -3.752 -11.640 400 H ASP 54 H ASP 54 -8.711 -8.402 -9.488 401 HA ASP 54 HA ASP 54 -11.301 -8.430 -10.751 402 HB2 ASP 54 2HB ASP 54 -9.728 -9.467 -12.083 403 HB3 ASP 54 1HB ASP 54 -8.918 -10.226 -10.723 404 H LYS 55 H LYS 55 -10.106 -9.399 -7.708 405 HA LYS 55 HA LYS 55 -11.056 -10.404 -5.911 406 HB2 LYS 55 2HB LYS 55 -13.540 -9.917 -7.526 407 HB3 LYS 55 1HB LYS 55 -13.593 -10.626 -5.920 408 HG2 LYS 55 2HG LYS 55 -12.457 -7.926 -6.602 409 HG3 LYS 55 1HG LYS 55 -14.064 -8.210 -5.942 410 HD2 LYS 55 2HD LYS 55 -11.609 -9.182 -4.515 411 HD3 LYS 55 1HD LYS 55 -12.157 -7.520 -4.342 412 HE2 LYS 55 2HE LYS 55 -13.076 -8.716 -2.523 413 HE3 LYS 55 1HE LYS 55 -14.397 -8.442 -3.654 414 HZ1 LYS 55 3HZ LYS 55 -12.853 -10.969 -3.555 415 HZ2 LYS 55 1HZ LYS 55 -14.313 -10.683 -4.355 416 HZ3 LYS 55 2HZ LYS 55 -14.264 -10.718 -2.667 417 H SER 56 H SER 56 -9.756 -12.196 -6.878 418 HA SER 56 HA SER 56 -11.442 -14.437 -7.779 419 HB2 SER 56 2HB SER 56 -8.655 -14.974 -8.087 420 HB3 SER 56 1HB SER 56 -9.865 -14.725 -9.349 421 HG SER 56 HG SER 56 -9.335 -12.645 -9.517 422 H ASP 57 H ASP 57 -10.521 -13.328 -4.992 423 HA ASP 57 HA ASP 57 -9.842 -14.066 -2.960 424 HB2 ASP 57 2HB ASP 57 -10.485 -16.749 -4.188 425 HB3 ASP 57 1HB ASP 57 -9.942 -16.572 -2.525 426 H PHE 58 H PHE 58 -8.151 -13.945 -5.438 427 HA PHE 58 HA PHE 58 -5.633 -14.701 -4.239 428 HB2 PHE 58 2HB PHE 58 -6.621 -15.866 -6.853 429 HB3 PHE 58 1HB PHE 58 -4.909 -15.720 -6.492 430 HD1 PHE 58 1HD PHE 58 -3.892 -17.078 -4.738 431 HD2 PHE 58 2HD PHE 58 -7.977 -17.551 -5.829 432 HE1 PHE 58 1HE PHE 58 -3.933 -19.263 -3.610 433 HE2 PHE 58 2HE PHE 58 -8.027 -19.738 -4.701 434 HZ PHE 58 HZ PHE 58 -6.005 -20.596 -3.589 435 H VAL 59 H VAL 59 -4.135 -13.152 -4.771 436 HA VAL 59 HA VAL 59 -5.119 -11.006 -6.499 437 HB VAL 59 HB VAL 59 -2.946 -11.065 -4.435 438 HG11 VAL 59 1HG1 VAL 59 -2.405 -9.541 -6.267 439 HG12 VAL 59 2HG1 VAL 59 -2.663 -8.759 -4.712 440 HG13 VAL 59 3HG1 VAL 59 -3.920 -8.692 -5.946 441 HG21 VAL 59 3HG2 VAL 59 -5.212 -11.164 -3.540 442 HG22 VAL 59 1HG2 VAL 59 -5.611 -9.698 -4.436 443 HG23 VAL 59 2HG2 VAL 59 -4.412 -9.644 -3.144 444 H GLU 60 H GLU 60 -4.476 -10.983 -8.496 445 HA GLU 60 HA GLU 60 -2.067 -12.406 -9.327 446 HB2 GLU 60 2HB GLU 60 -4.437 -11.307 -10.831 447 HB3 GLU 60 1HB GLU 60 -3.026 -11.956 -11.641 448 HG2 GLU 60 2HG GLU 60 -4.757 -13.609 -11.580 449 HG3 GLU 60 1HG GLU 60 -3.420 -14.125 -10.564 450 H GLU 61 H GLU 61 -1.091 -11.292 -11.458 451 HA GLU 61 HA GLU 61 0.078 -8.813 -10.557 452 HB2 GLU 61 2HB GLU 61 1.475 -10.447 -11.677 453 HB3 GLU 61 1HB GLU 61 0.438 -10.403 -13.095 454 HG2 GLU 61 2HG GLU 61 1.084 -8.118 -13.542 455 HG3 GLU 61 1HG GLU 61 2.058 -8.077 -12.074 456 H ASP 62 H ASP 62 -2.007 -9.802 -13.247 457 HA ASP 62 HA ASP 62 -2.204 -7.242 -14.421 458 HB2 ASP 62 2HB ASP 62 -2.839 -9.441 -15.506 459 HB3 ASP 62 1HB ASP 62 -4.314 -9.401 -14.542 460 H GLU 63 H GLU 63 -3.598 -8.641 -11.652 461 HA GLU 63 HA GLU 63 -5.765 -6.803 -11.372 462 HB2 GLU 63 2HB GLU 63 -4.401 -8.662 -9.441 463 HB3 GLU 63 1HB GLU 63 -5.771 -7.646 -9.000 464 HG2 GLU 63 2HG GLU 63 -7.089 -8.712 -10.786 465 HG3 GLU 63 1HG GLU 63 -5.727 -9.782 -11.110 466 H LEU 64 H LEU 64 -2.425 -6.968 -10.262 467 HA LEU 64 HA LEU 64 -2.520 -4.665 -8.628 468 HB2 LEU 64 2HB LEU 64 -0.421 -6.359 -9.796 469 HB3 LEU 64 1HB LEU 64 0.054 -4.695 -9.519 470 HG LEU 64 HG LEU 64 0.644 -6.177 -7.640 471 HD11 LEU 64 1HD1 LEU 64 -0.258 -4.779 -5.860 472 HD12 LEU 64 2HD1 LEU 64 -1.464 -4.130 -6.970 473 HD13 LEU 64 3HD1 LEU 64 0.248 -3.804 -7.240 474 HD21 LEU 64 3HD2 LEU 64 -1.119 -7.068 -6.200 475 HD22 LEU 64 1HD2 LEU 64 -1.196 -7.760 -7.820 476 HD23 LEU 64 2HD2 LEU 64 -2.337 -6.504 -7.342 477 H LYS 65 H LYS 65 -2.416 -5.152 -12.012 478 HA LYS 65 HA LYS 65 -1.451 -2.657 -12.856 479 HB2 LYS 65 2HB LYS 65 -2.770 -4.943 -14.023 480 HB3 LYS 65 1HB LYS 65 -3.427 -3.455 -14.683 481 HG2 LYS 65 2HG LYS 65 -1.563 -4.427 -15.990 482 HG3 LYS 65 1HG LYS 65 -1.295 -2.765 -15.467 483 HD2 LYS 65 2HD LYS 65 0.262 -3.406 -13.846 484 HD3 LYS 65 1HD LYS 65 -0.252 -5.099 -13.884 485 HE2 LYS 65 2HE LYS 65 0.684 -5.405 -16.048 486 HE3 LYS 65 1HE LYS 65 1.009 -3.680 -16.222 487 HZ1 LYS 65 3HZ LYS 65 2.325 -5.569 -14.352 488 HZ2 LYS 65 1HZ LYS 65 2.580 -3.895 -14.346 489 HZ3 LYS 65 2HZ LYS 65 3.022 -4.820 -15.693 490 H LEU 66 H LEU 66 -4.815 -3.745 -12.345 491 HA LEU 66 HA LEU 66 -5.646 -0.938 -12.523 492 HB2 LEU 66 2HB LEU 66 -7.306 -3.449 -12.678 493 HB3 LEU 66 1HB LEU 66 -7.943 -1.817 -12.768 494 HG LEU 66 HG LEU 66 -7.831 -2.323 -14.994 495 HD11 LEU 66 1HD1 LEU 66 -5.818 -1.298 -15.991 496 HD12 LEU 66 2HD1 LEU 66 -5.059 -1.287 -14.395 497 HD13 LEU 66 3HD1 LEU 66 -6.510 -0.328 -14.693 498 HD21 LEU 66 3HD2 LEU 66 -5.352 -3.937 -14.427 499 HD22 LEU 66 1HD2 LEU 66 -6.047 -3.694 -16.029 500 HD23 LEU 66 2HD2 LEU 66 -6.963 -4.553 -14.791 501 H PHE 67 H PHE 67 -4.677 -2.937 -10.222 502 HA PHE 67 HA PHE 67 -6.420 -2.824 -8.098 503 HB2 PHE 67 2HB PHE 67 -4.518 -3.912 -7.458 504 HB3 PHE 67 1HB PHE 67 -3.485 -2.916 -8.467 505 HD1 PHE 67 2HD PHE 67 -5.125 -3.155 -5.177 506 HD2 PHE 67 1HD PHE 67 -2.303 -1.063 -7.573 507 HE1 PHE 67 2HE PHE 67 -4.286 -2.002 -3.173 508 HE2 PHE 67 1HE PHE 67 -1.454 0.090 -5.574 509 HZ PHE 67 HZ PHE 67 -2.447 -0.376 -3.370 510 H LEU 68 H LEU 68 -4.564 -0.317 -9.610 511 HA LEU 68 HA LEU 68 -4.607 1.665 -7.625 512 HB2 LEU 68 2HB LEU 68 -4.476 1.929 -10.625 513 HB3 LEU 68 1HB LEU 68 -4.163 3.233 -9.502 514 HG LEU 68 HG LEU 68 -2.057 2.481 -10.240 515 HD11 LEU 68 1HD1 LEU 68 -2.564 1.236 -7.548 516 HD12 LEU 68 2HD1 LEU 68 -2.156 2.924 -7.859 517 HD13 LEU 68 3HD1 LEU 68 -0.988 1.652 -8.217 518 HD21 LEU 68 3HD2 LEU 68 -2.836 -0.336 -9.519 519 HD22 LEU 68 1HD2 LEU 68 -1.319 0.193 -10.243 520 HD23 LEU 68 2HD2 LEU 68 -2.826 0.317 -11.159 521 H GLN 69 H GLN 69 -6.629 1.304 -10.523 522 HA GLN 69 HA GLN 69 -8.348 3.449 -9.737 523 HB2 GLN 69 2HB GLN 69 -9.709 2.795 -11.682 524 HB3 GLN 69 1HB GLN 69 -8.012 2.979 -12.094 525 HG2 GLN 69 2HG GLN 69 -7.702 0.725 -12.414 526 HG3 GLN 69 1HG GLN 69 -9.090 0.288 -11.422 527 HE21 GLN 69 1HE2 GLN 69 -8.408 -0.511 -14.151 528 HE22 GLN 69 2HE2 GLN 69 -9.750 -0.046 -15.133 529 H ASN 70 H ASN 70 -8.000 0.343 -8.689 530 HA ASN 70 HA ASN 70 -10.801 -0.062 -7.983 531 HB2 ASN 70 2HB ASN 70 -9.258 -1.960 -8.593 532 HB3 ASN 70 1HB ASN 70 -8.369 -1.639 -7.109 533 HD21 ASN 70 1HD2 ASN 70 -8.807 -3.685 -6.325 534 HD22 ASN 70 2HD2 ASN 70 -10.375 -4.127 -5.737 535 H PHE 71 H PHE 71 -7.869 1.196 -6.713 536 HA PHE 71 HA PHE 71 -8.741 1.275 -3.957 537 HB2 PHE 71 2HB PHE 71 -6.320 1.019 -4.807 538 HB3 PHE 71 1HB PHE 71 -6.387 2.739 -5.160 539 HD1 PHE 71 1HD PHE 71 -7.170 4.238 -3.110 540 HD2 PHE 71 2HD PHE 71 -5.475 0.347 -2.793 541 HE1 PHE 71 1HE PHE 71 -6.489 4.724 -0.797 542 HE2 PHE 71 2HE PHE 71 -4.797 0.828 -0.479 543 HZ PHE 71 HZ PHE 71 -5.304 3.019 0.519 544 H SER 72 H SER 72 -8.425 3.451 -6.706 545 HA SER 72 HA SER 72 -9.987 5.474 -5.298 546 HB2 SER 72 2HB SER 72 -8.312 7.217 -6.128 547 HB3 SER 72 1HB SER 72 -7.793 6.214 -4.776 548 HG SER 72 HG SER 72 -6.915 4.832 -6.618 549 H ALA 73 H ALA 73 -10.665 7.248 -6.777 550 HA ALA 73 HA ALA 73 -11.654 6.014 -9.210 551 HB1 ALA 73 1HB ALA 73 -12.340 8.678 -7.975 552 HB2 ALA 73 2HB ALA 73 -13.199 7.164 -7.691 553 HB3 ALA 73 3HB ALA 73 -13.196 7.888 -9.299 554 H GLY 74 H GLY 74 -9.066 7.975 -8.386 555 HA2 GLY 74 2HA GLY 74 -8.793 8.821 -11.197 556 HA3 GLY 74 1HA GLY 74 -8.492 9.964 -9.895 557 H ALA 75 H ALA 75 -7.510 6.712 -10.954 558 HA ALA 75 HA ALA 75 -4.810 7.343 -9.963 559 HB1 ALA 75 1HB ALA 75 -6.032 5.692 -8.570 560 HB2 ALA 75 2HB ALA 75 -4.531 5.083 -9.264 561 HB3 ALA 75 3HB ALA 75 -6.081 4.617 -9.969 562 H ARG 76 H ARG 76 -3.107 5.959 -10.962 563 HA ARG 76 HA ARG 76 -3.635 5.597 -13.818 564 HB2 ARG 76 2HB ARG 76 -0.976 6.245 -12.549 565 HB3 ARG 76 1HB ARG 76 -1.361 6.254 -14.262 566 HG2 ARG 76 2HG ARG 76 -2.368 8.167 -12.171 567 HG3 ARG 76 1HG ARG 76 -1.210 8.507 -13.458 568 HD2 ARG 76 2HD ARG 76 -4.096 7.728 -13.832 569 HD3 ARG 76 1HD ARG 76 -3.433 9.350 -13.993 570 HE ARG 76 HE ARG 76 -2.083 7.520 -15.693 571 HH11 ARG 76 1HH1 ARG 76 -5.094 9.282 -15.404 572 HH12 ARG 76 2HH1 ARG 76 -5.343 9.381 -17.117 573 HH21 ARG 76 1HH2 ARG 76 -2.406 7.649 -17.934 574 HH22 ARG 76 2HH2 ARG 76 -3.819 8.441 -18.560 575 H ALA 77 H ALA 77 -3.072 3.661 -14.734 576 HA ALA 77 HA ALA 77 -2.562 1.459 -13.007 577 HB1 ALA 77 1HB ALA 77 -2.435 0.121 -15.070 578 HB2 ALA 77 2HB ALA 77 -2.482 1.611 -16.017 579 HB3 ALA 77 3HB ALA 77 -3.868 1.154 -15.026 580 H LEU 78 H LEU 78 -0.698 0.915 -12.168 581 HA LEU 78 HA LEU 78 1.784 2.004 -13.019 582 HB2 LEU 78 2HB LEU 78 1.295 -0.364 -11.205 583 HB3 LEU 78 1HB LEU 78 2.770 0.576 -11.322 584 HG LEU 78 HG LEU 78 0.121 1.589 -10.286 585 HD11 LEU 78 1HD1 LEU 78 1.196 0.031 -8.760 586 HD12 LEU 78 2HD1 LEU 78 1.252 1.676 -8.125 587 HD13 LEU 78 3HD1 LEU 78 2.692 0.960 -8.848 588 HD21 LEU 78 3HD2 LEU 78 1.415 3.588 -9.626 589 HD22 LEU 78 1HD2 LEU 78 1.315 3.381 -11.375 590 HD23 LEU 78 2HD2 LEU 78 2.798 2.956 -10.519 591 H SER 79 H SER 79 3.430 1.063 -14.210 592 HA SER 79 HA SER 79 2.972 -1.605 -15.285 593 HB2 SER 79 2HB SER 79 3.380 0.816 -17.054 594 HB3 SER 79 1HB SER 79 3.236 -0.854 -17.600 595 HG SER 79 HG SER 79 1.164 -0.135 -15.996 596 H ASP 80 H ASP 80 4.820 -2.160 -16.844 597 HA ASP 80 HA ASP 80 6.983 -2.773 -17.026 598 HB2 ASP 80 2HB ASP 80 7.009 -0.282 -17.726 599 HB3 ASP 80 1HB ASP 80 7.789 -0.008 -16.170 600 H ALA 81 H ALA 81 9.127 -1.367 -15.385 601 HA ALA 81 HA ALA 81 9.569 -3.454 -13.673 602 HB1 ALA 81 1HB ALA 81 11.271 -1.833 -14.385 603 HB2 ALA 81 2HB ALA 81 11.291 -2.106 -12.644 604 HB3 ALA 81 3HB ALA 81 10.567 -0.638 -13.297 605 H GLU 82 H GLU 82 7.720 -0.536 -13.024 606 HA GLU 82 HA GLU 82 7.749 -0.501 -10.244 607 HB2 GLU 82 2HB GLU 82 6.825 1.362 -11.346 608 HB3 GLU 82 1HB GLU 82 5.749 0.371 -12.317 609 HG2 GLU 82 2HG GLU 82 4.527 1.620 -10.646 610 HG3 GLU 82 1HG GLU 82 4.406 -0.114 -10.373 611 H THR 83 H THR 83 5.454 -2.199 -12.407 612 HA THR 83 HA THR 83 4.036 -3.298 -10.199 613 HB THR 83 HB THR 83 4.012 -4.682 -12.843 614 HG1 THR 83 1HG THR 83 2.964 -2.091 -12.284 615 HG21 THR 83 3HG2 THR 83 1.825 -3.872 -10.927 616 HG22 THR 83 1HG2 THR 83 2.625 -5.447 -10.938 617 HG23 THR 83 2HG2 THR 83 1.660 -4.935 -12.325 618 H LYS 84 H LYS 84 6.913 -4.227 -11.930 619 HA LYS 84 HA LYS 84 6.734 -7.009 -11.240 620 HB2 LYS 84 2HB LYS 84 9.256 -5.637 -12.117 621 HB3 LYS 84 1HB LYS 84 8.712 -7.279 -12.432 622 HG2 LYS 84 2HG LYS 84 6.964 -6.395 -13.909 623 HG3 LYS 84 1HG LYS 84 7.575 -4.766 -13.611 624 HD2 LYS 84 2HD LYS 84 8.419 -5.605 -15.728 625 HD3 LYS 84 1HD LYS 84 9.739 -5.417 -14.572 626 HE2 LYS 84 2HE LYS 84 9.741 -7.791 -14.131 627 HE3 LYS 84 1HE LYS 84 8.335 -8.017 -15.169 628 HZ1 LYS 84 3HZ LYS 84 10.972 -7.010 -16.092 629 HZ2 LYS 84 1HZ LYS 84 9.633 -7.359 -17.064 630 HZ3 LYS 84 2HZ LYS 84 10.442 -8.605 -16.257 631 H VAL 85 H VAL 85 9.085 -4.467 -10.381 632 HA VAL 85 HA VAL 85 10.309 -6.089 -8.387 633 HB VAL 85 HB VAL 85 11.693 -4.471 -9.463 634 HG11 VAL 85 1HG1 VAL 85 9.986 -2.882 -10.136 635 HG12 VAL 85 2HG1 VAL 85 11.313 -2.059 -9.307 636 HG13 VAL 85 3HG1 VAL 85 9.795 -2.358 -8.460 637 HG21 VAL 85 3HG2 VAL 85 12.620 -3.211 -7.589 638 HG22 VAL 85 1HG2 VAL 85 12.218 -4.859 -7.107 639 HG23 VAL 85 2HG2 VAL 85 11.161 -3.522 -6.651 640 H PHE 86 H PHE 86 7.847 -3.581 -8.328 641 HA PHE 86 HA PHE 86 7.933 -3.459 -5.460 642 HB2 PHE 86 2HB PHE 86 6.493 -1.956 -7.593 643 HB3 PHE 86 1HB PHE 86 5.951 -1.841 -5.932 644 HD1 PHE 86 1HD PHE 86 7.722 -1.245 -4.165 645 HD2 PHE 86 2HD PHE 86 8.246 -0.624 -8.338 646 HE1 PHE 86 1HE PHE 86 9.495 0.395 -3.696 647 HE2 PHE 86 2HE PHE 86 10.019 1.016 -7.875 648 HZ PHE 86 HZ PHE 86 10.646 1.527 -5.552 649 H LEU 87 H LEU 87 6.100 -5.189 -7.860 650 HA LEU 87 HA LEU 87 4.092 -6.224 -6.144 651 HB2 LEU 87 2HB LEU 87 4.358 -6.640 -8.625 652 HB3 LEU 87 1HB LEU 87 5.678 -7.719 -8.242 653 HG LEU 87 HG LEU 87 3.973 -9.066 -6.901 654 HD11 LEU 87 1HD1 LEU 87 2.234 -7.310 -6.836 655 HD12 LEU 87 2HD1 LEU 87 1.652 -8.824 -7.528 656 HD13 LEU 87 3HD1 LEU 87 2.051 -7.467 -8.585 657 HD21 LEU 87 3HD2 LEU 87 3.696 -8.828 -9.891 658 HD22 LEU 87 1HD2 LEU 87 3.229 -10.222 -8.917 659 HD23 LEU 87 2HD2 LEU 87 4.928 -9.759 -9.039 660 H LYS 88 H LYS 88 7.458 -7.041 -6.752 661 HA LYS 88 HA LYS 88 7.534 -9.238 -4.934 662 HB2 LYS 88 2HB LYS 88 9.822 -7.731 -6.209 663 HB3 LYS 88 1HB LYS 88 9.922 -9.293 -5.399 664 HG2 LYS 88 2HG LYS 88 8.297 -8.751 -7.869 665 HG3 LYS 88 1HG LYS 88 9.901 -9.490 -7.844 666 HD2 LYS 88 2HD LYS 88 9.053 -11.302 -6.461 667 HD3 LYS 88 1HD LYS 88 7.453 -10.568 -6.455 668 HE2 LYS 88 2HE LYS 88 7.574 -12.393 -8.070 669 HE3 LYS 88 1HE LYS 88 7.287 -10.848 -8.866 670 HZ1 LYS 88 3HZ LYS 88 9.916 -12.214 -8.666 671 HZ2 LYS 88 1HZ LYS 88 9.615 -10.752 -9.462 672 HZ3 LYS 88 2HZ LYS 88 8.927 -12.184 -10.036 673 H ALA 89 H ALA 89 7.859 -5.829 -4.572 674 HA ALA 89 HA ALA 89 9.272 -5.598 -2.193 675 HB1 ALA 89 1HB ALA 89 7.888 -3.664 -1.672 676 HB2 ALA 89 2HB ALA 89 6.682 -4.178 -2.850 677 HB3 ALA 89 3HB ALA 89 8.284 -3.666 -3.392 678 H GLY 90 H GLY 90 6.015 -6.708 -2.823 679 HA2 GLY 90 2HA GLY 90 5.653 -7.425 -0.005 680 HA3 GLY 90 1HA GLY 90 4.415 -7.479 -1.256 681 H ASP 91 H ASP 91 5.266 -8.959 -3.193 682 HA ASP 91 HA ASP 91 5.203 -11.607 -2.206 683 HB2 ASP 91 2HB ASP 91 4.353 -11.034 -4.420 684 HB3 ASP 91 1HB ASP 91 5.982 -10.614 -4.951 685 H SER 92 H SER 92 6.889 -12.251 -0.949 686 HA SER 92 HA SER 92 9.607 -11.672 -1.867 687 HB2 SER 92 2HB SER 92 8.626 -12.807 0.763 688 HB3 SER 92 1HB SER 92 10.290 -12.358 0.391 689 HG SER 92 HG SER 92 8.028 -10.643 0.505 690 H ASP 93 H ASP 93 7.303 -13.980 -2.176 691 HA ASP 93 HA ASP 93 8.990 -16.322 -1.950 692 HB2 ASP 93 2HB ASP 93 6.382 -16.411 -3.398 693 HB3 ASP 93 1HB ASP 93 7.095 -17.591 -2.307 694 H GLY 94 H GLY 94 8.026 -14.085 -4.394 695 HA2 GLY 94 2HA GLY 94 8.846 -13.827 -6.546 696 HA3 GLY 94 1HA GLY 94 9.772 -15.309 -6.340 697 H ASP 95 H ASP 95 6.294 -14.678 -6.070 698 HA ASP 95 HA ASP 95 5.867 -16.890 -7.970 699 HB2 ASP 95 2HB ASP 95 3.603 -17.094 -6.847 700 HB3 ASP 95 1HB ASP 95 4.991 -17.542 -5.864 701 H GLY 96 H GLY 96 5.243 -13.552 -7.351 702 HA2 GLY 96 2HA GLY 96 4.633 -12.035 -9.056 703 HA3 GLY 96 1HA GLY 96 3.992 -13.377 -9.992 704 H LYS 97 H LYS 97 3.182 -12.976 -6.652 705 HA LYS 97 HA LYS 97 0.561 -11.779 -7.307 706 HB2 LYS 97 2HB LYS 97 -0.639 -13.501 -6.388 707 HB3 LYS 97 1HB LYS 97 0.750 -14.452 -6.894 708 HG2 LYS 97 2HG LYS 97 1.676 -13.888 -4.513 709 HG3 LYS 97 1HG LYS 97 -0.022 -13.531 -4.157 710 HD2 LYS 97 2HD LYS 97 0.959 -16.132 -5.316 711 HD3 LYS 97 1HD LYS 97 0.638 -15.856 -3.606 712 HE2 LYS 97 2HE LYS 97 -1.416 -15.512 -5.779 713 HE3 LYS 97 1HE LYS 97 -1.206 -16.996 -4.855 714 HZ1 LYS 97 3HZ LYS 97 -1.668 -15.735 -2.833 715 HZ2 LYS 97 1HZ LYS 97 -2.960 -15.660 -3.915 716 HZ3 LYS 97 2HZ LYS 97 -1.923 -14.340 -3.746 717 H ILE 98 H ILE 98 -0.471 -10.935 -5.388 718 HA ILE 98 HA ILE 98 1.543 -10.118 -3.428 719 HB ILE 98 HB ILE 98 -0.937 -8.740 -4.387 720 HG12 ILE 98 2HG1 ILE 98 1.150 -8.322 -5.589 721 HG13 ILE 98 1HG1 ILE 98 0.614 -6.870 -4.753 722 HG21 ILE 98 1HG2 ILE 98 0.627 -8.058 -1.908 723 HG22 ILE 98 2HG2 ILE 98 -1.029 -8.663 -1.961 724 HG23 ILE 98 3HG2 ILE 98 -0.651 -7.073 -2.620 725 HD11 ILE 98 3HD1 ILE 98 2.818 -8.737 -3.924 726 HD12 ILE 98 1HD1 ILE 98 2.217 -7.404 -2.937 727 HD13 ILE 98 2HD1 ILE 98 2.969 -7.078 -4.495 728 H GLY 99 H GLY 99 1.419 -11.822 -2.046 729 HA2 GLY 99 2HA GLY 99 -0.902 -12.680 -0.742 730 HA3 GLY 99 1HA GLY 99 0.711 -12.638 -0.021 731 H VAL 100 H VAL 100 -2.071 -11.776 0.908 732 HA VAL 100 HA VAL 100 -2.077 -8.952 0.980 733 HB VAL 100 HB VAL 100 -3.461 -10.938 2.754 734 HG11 VAL 100 1HG1 VAL 100 -4.056 -8.022 2.297 735 HG12 VAL 100 2HG1 VAL 100 -3.394 -8.726 3.774 736 HG13 VAL 100 3HG1 VAL 100 -5.030 -9.138 3.255 737 HG21 VAL 100 3HG2 VAL 100 -4.352 -9.539 0.244 738 HG22 VAL 100 1HG2 VAL 100 -5.339 -10.622 1.230 739 HG23 VAL 100 2HG2 VAL 100 -3.918 -11.241 0.391 740 H ASP 101 H ASP 101 -1.092 -11.402 3.309 741 HA ASP 101 HA ASP 101 -0.027 -9.725 5.278 742 HB2 ASP 101 2HB ASP 101 -0.328 -12.134 5.595 743 HB3 ASP 101 1HB ASP 101 0.895 -12.462 4.376 744 H GLU 102 H GLU 102 1.251 -10.824 2.209 745 HA GLU 102 HA GLU 102 3.901 -9.853 2.518 746 HB2 GLU 102 2HB GLU 102 2.275 -10.384 0.013 747 HB3 GLU 102 1HB GLU 102 4.002 -10.047 0.034 748 HG2 GLU 102 2HG GLU 102 2.724 -12.392 1.424 749 HG3 GLU 102 1HG GLU 102 3.429 -12.452 -0.190 750 H PHE 103 H PHE 103 0.931 -8.474 1.178 751 HA PHE 103 HA PHE 103 2.088 -6.097 0.172 752 HB2 PHE 103 2HB PHE 103 -0.239 -7.078 -0.329 753 HB3 PHE 103 1HB PHE 103 -0.751 -6.308 1.167 754 HD1 PHE 103 2HD PHE 103 0.815 -5.600 -2.120 755 HD2 PHE 103 1HD PHE 103 -1.388 -4.063 1.176 756 HE1 PHE 103 2HE PHE 103 0.466 -3.498 -3.344 757 HE2 PHE 103 1HE PHE 103 -1.744 -1.956 -0.048 758 HZ PHE 103 HZ PHE 103 -0.814 -1.672 -2.306 759 H GLY 104 H GLY 104 0.445 -6.843 3.233 760 HA2 GLY 104 2HA GLY 104 0.679 -4.331 4.437 761 HA3 GLY 104 1HA GLY 104 0.629 -5.861 5.305 762 H ALA 105 H ALA 105 2.999 -6.939 4.118 763 HA ALA 105 HA ALA 105 4.959 -5.905 5.865 764 HB1 ALA 105 1HB ALA 105 5.314 -7.710 3.475 765 HB2 ALA 105 2HB ALA 105 4.937 -8.232 5.117 766 HB3 ALA 105 3HB ALA 105 6.483 -7.458 4.771 767 H MET 106 H MET 106 4.353 -5.412 2.387 768 HA MET 106 HA MET 106 6.756 -3.888 2.021 769 HB2 MET 106 2HB MET 106 6.172 -3.651 -0.197 770 HB3 MET 106 1HB MET 106 5.306 -5.123 0.209 771 HG2 MET 106 2HG MET 106 3.248 -3.999 0.323 772 HG3 MET 106 1HG MET 106 4.024 -2.423 0.346 773 HE1 MET 106 3HE MET 106 4.490 -5.602 -2.036 774 HE2 MET 106 1HE MET 106 3.437 -5.096 -3.356 775 HE3 MET 106 2HE MET 106 2.761 -5.396 -1.755 776 H ILE 107 H ILE 107 3.597 -3.211 3.168 777 HA ILE 107 HA ILE 107 3.682 -0.369 2.697 778 HB ILE 107 HB ILE 107 1.884 -2.062 4.460 779 HG12 ILE 107 2HG1 ILE 107 1.383 -0.721 1.794 780 HG13 ILE 107 1HG1 ILE 107 1.623 -2.447 2.042 781 HG21 ILE 107 1HG2 ILE 107 0.468 -0.117 4.695 782 HG22 ILE 107 2HG2 ILE 107 1.592 0.846 3.736 783 HG23 ILE 107 3HG2 ILE 107 2.086 0.227 5.312 784 HD11 ILE 107 3HD1 ILE 107 -0.406 -2.543 3.381 785 HD12 ILE 107 1HD1 ILE 107 -0.727 -1.900 1.771 786 HD13 ILE 107 2HD1 ILE 107 -0.642 -0.809 3.153 787 H LYS 108 H LYS 108 4.358 -2.613 5.249 788 HA LYS 108 HA LYS 108 4.856 -0.568 7.219 789 HB2 LYS 108 2HB LYS 108 3.795 -2.430 8.086 790 HB3 LYS 108 1HB LYS 108 4.769 -3.553 7.160 791 HG2 LYS 108 2HG LYS 108 6.060 -1.939 9.310 792 HG3 LYS 108 1HG LYS 108 5.069 -3.333 9.742 793 HD2 LYS 108 2HD LYS 108 6.458 -4.680 8.125 794 HD3 LYS 108 1HD LYS 108 7.536 -3.289 8.009 795 HE2 LYS 108 2HE LYS 108 7.886 -3.397 10.446 796 HE3 LYS 108 1HE LYS 108 6.860 -4.830 10.507 797 HZ1 LYS 108 3HZ LYS 108 9.193 -5.427 10.473 798 HZ2 LYS 108 1HZ LYS 108 9.417 -4.600 9.015 799 HZ3 LYS 108 2HZ LYS 108 8.430 -5.972 9.068 800 H ALA 109 H ALA 109 6.717 -2.404 4.939 801 HA ALA 109 HA ALA 109 9.212 -1.697 6.298 802 HB1 ALA 109 1HB ALA 109 10.316 -3.102 4.642 803 HB2 ALA 109 2HB ALA 109 8.782 -3.340 3.807 804 HB3 ALA 109 3HB ALA 109 9.007 -3.978 5.434 Start of MODEL 12 1 H1 MET 1 1HT MET 1 -21.286 7.887 1.477 2 H2 MET 1 2HT MET 1 -21.636 8.374 -0.103 3 H3 MET 1 3HT MET 1 -21.526 9.525 1.130 4 HA MET 1 HA MET 1 -19.570 9.526 -0.286 5 HB2 MET 1 2HB MET 1 -17.886 9.334 1.517 6 HB3 MET 1 1HB MET 1 -19.306 10.237 2.018 7 HG2 MET 1 2HG MET 1 -20.141 8.277 3.202 8 HG3 MET 1 1HG MET 1 -18.725 7.363 2.692 9 HE1 MET 1 2HE MET 1 -20.059 10.351 4.844 10 HE2 MET 1 3HE MET 1 -18.851 11.152 3.840 11 HE3 MET 1 1HE MET 1 -18.578 10.972 5.572 12 H ALA 2 H ALA 2 -18.123 8.428 -1.466 13 HA ALA 2 HA ALA 2 -18.490 5.599 -1.753 14 HB1 ALA 2 1HB ALA 2 -18.089 7.060 -3.682 15 HB2 ALA 2 2HB ALA 2 -16.883 5.779 -3.571 16 HB3 ALA 2 3HB ALA 2 -16.476 7.420 -3.068 17 H PHE 3 H PHE 3 -16.176 7.682 -0.213 18 HA PHE 3 HA PHE 3 -14.685 5.300 0.662 19 HB2 PHE 3 2HB PHE 3 -13.665 8.144 0.469 20 HB3 PHE 3 1HB PHE 3 -12.731 6.735 0.962 21 HD1 PHE 3 1HD PHE 3 -12.611 4.799 -0.778 22 HD2 PHE 3 2HD PHE 3 -13.612 8.820 -1.729 23 HE1 PHE 3 1HE PHE 3 -11.985 4.395 -3.121 24 HE2 PHE 3 2HE PHE 3 -12.988 8.425 -4.072 25 HZ PHE 3 HZ PHE 3 -12.173 6.210 -4.772 26 H ALA 4 H ALA 4 -14.412 4.990 2.807 27 HA ALA 4 HA ALA 4 -16.208 6.444 4.536 28 HB1 ALA 4 1HB ALA 4 -14.403 4.098 5.117 29 HB2 ALA 4 2HB ALA 4 -16.099 4.007 4.638 30 HB3 ALA 4 3HB ALA 4 -15.658 4.727 6.186 31 H GLY 5 H GLY 5 -13.252 7.191 3.523 32 HA2 GLY 5 2HA GLY 5 -11.950 8.951 4.422 33 HA3 GLY 5 1HA GLY 5 -12.579 8.563 6.020 34 H ILE 6 H ILE 6 -11.977 5.643 4.993 35 HA ILE 6 HA ILE 6 -9.639 5.188 6.452 36 HB ILE 6 HB ILE 6 -10.811 3.539 4.203 37 HG12 ILE 6 2HG1 ILE 6 -11.150 3.287 7.199 38 HG13 ILE 6 1HG1 ILE 6 -12.349 3.960 6.098 39 HG21 ILE 6 1HG2 ILE 6 -8.818 2.767 6.332 40 HG22 ILE 6 2HG2 ILE 6 -8.501 2.910 4.603 41 HG23 ILE 6 3HG2 ILE 6 -9.584 1.653 5.199 42 HD11 ILE 6 3HD1 ILE 6 -12.906 1.683 6.677 43 HD12 ILE 6 1HD1 ILE 6 -11.332 1.128 6.109 44 HD13 ILE 6 2HD1 ILE 6 -12.499 1.792 4.965 45 H LEU 7 H LEU 7 -10.168 5.822 3.042 46 HA LEU 7 HA LEU 7 -7.403 6.704 2.894 47 HB2 LEU 7 2HB LEU 7 -6.956 5.687 0.789 48 HB3 LEU 7 1HB LEU 7 -7.494 4.436 1.876 49 HG LEU 7 HG LEU 7 -8.429 3.896 -0.188 50 HD11 LEU 7 1HD1 LEU 7 -10.833 4.130 0.048 51 HD12 LEU 7 2HD1 LEU 7 -10.593 5.345 1.300 52 HD13 LEU 7 3HD1 LEU 7 -10.060 3.686 1.567 53 HD21 LEU 7 3HD2 LEU 7 -9.306 6.756 -0.512 54 HD22 LEU 7 1HD2 LEU 7 -9.666 5.436 -1.628 55 HD23 LEU 7 2HD2 LEU 7 -7.997 5.950 -1.378 56 H ASN 8 H ASN 8 -7.119 8.553 1.744 57 HA ASN 8 HA ASN 8 -9.570 9.861 0.808 58 HB2 ASN 8 2HB ASN 8 -6.833 10.891 1.549 59 HB3 ASN 8 1HB ASN 8 -7.998 11.892 0.692 60 HD21 ASN 8 1HD2 ASN 8 -8.828 9.532 3.156 61 HD22 ASN 8 2HD2 ASN 8 -9.363 10.678 4.334 62 H ASP 9 H ASP 9 -10.019 9.609 -1.243 63 HA ASP 9 HA ASP 9 -8.456 8.571 -3.251 64 HB2 ASP 9 2HB ASP 9 -10.831 8.787 -3.548 65 HB3 ASP 9 1HB ASP 9 -10.747 10.538 -3.409 66 H ALA 10 H ALA 10 -8.740 11.909 -2.207 67 HA ALA 10 HA ALA 10 -7.253 13.060 -4.337 68 HB1 ALA 10 1HB ALA 10 -7.163 15.041 -2.872 69 HB2 ALA 10 2HB ALA 10 -7.823 14.072 -1.552 70 HB3 ALA 10 3HB ALA 10 -8.789 14.370 -2.998 71 H ASP 11 H ASP 11 -6.361 11.652 -1.246 72 HA ASP 11 HA ASP 11 -3.666 12.700 -1.332 73 HB2 ASP 11 2HB ASP 11 -5.262 11.866 0.728 74 HB3 ASP 11 1HB ASP 11 -4.210 10.474 0.509 75 H ILE 12 H ILE 12 -5.292 9.637 -1.734 76 HA ILE 12 HA ILE 12 -3.046 8.066 -2.354 77 HB ILE 12 HB ILE 12 -5.971 7.863 -2.911 78 HG12 ILE 12 2HG1 ILE 12 -5.698 5.730 -1.651 79 HG13 ILE 12 1HG1 ILE 12 -3.985 6.079 -1.484 80 HG21 ILE 12 1HG2 ILE 12 -4.966 7.057 -4.975 81 HG22 ILE 12 2HG2 ILE 12 -5.656 5.716 -4.062 82 HG23 ILE 12 3HG2 ILE 12 -3.912 5.980 -4.060 83 HD11 ILE 12 3HD1 ILE 12 -5.133 6.626 0.547 84 HD12 ILE 12 1HD1 ILE 12 -6.263 7.662 -0.327 85 HD13 ILE 12 2HD1 ILE 12 -4.561 8.109 -0.215 86 H THR 13 H THR 13 -5.287 9.876 -4.454 87 HA THR 13 HA THR 13 -3.983 9.419 -6.885 88 HB THR 13 HB THR 13 -5.555 11.848 -5.993 89 HG1 THR 13 1HG THR 13 -6.872 10.060 -6.001 90 HG21 THR 13 3HG2 THR 13 -4.790 10.989 -8.788 91 HG22 THR 13 1HG2 THR 13 -4.164 12.399 -7.928 92 HG23 THR 13 2HG2 THR 13 -5.868 12.322 -8.375 93 H ALA 14 H ALA 14 -3.286 11.648 -4.267 94 HA ALA 14 HA ALA 14 -1.386 13.234 -5.629 95 HB1 ALA 14 1HB ALA 14 -2.407 13.919 -3.518 96 HB2 ALA 14 2HB ALA 14 -0.648 13.935 -3.418 97 HB3 ALA 14 3HB ALA 14 -1.561 12.618 -2.684 98 H ALA 15 H ALA 15 -0.926 10.464 -3.398 99 HA ALA 15 HA ALA 15 1.803 10.108 -3.739 100 HB1 ALA 15 1HB ALA 15 0.406 8.891 -2.104 101 HB2 ALA 15 2HB ALA 15 1.472 7.827 -3.020 102 HB3 ALA 15 3HB ALA 15 -0.243 7.916 -3.421 103 H LEU 16 H LEU 16 -0.857 8.915 -5.742 104 HA LEU 16 HA LEU 16 0.784 7.363 -7.472 105 HB2 LEU 16 2HB LEU 16 -2.014 8.443 -7.818 106 HB3 LEU 16 1HB LEU 16 -1.249 7.314 -8.919 107 HG LEU 16 HG LEU 16 -1.601 6.682 -5.997 108 HD11 LEU 16 1HD1 LEU 16 -3.473 5.957 -8.237 109 HD12 LEU 16 2HD1 LEU 16 -3.798 7.183 -7.013 110 HD13 LEU 16 3HD1 LEU 16 -3.618 5.491 -6.543 111 HD21 LEU 16 3HD2 LEU 16 0.018 5.352 -7.279 112 HD22 LEU 16 1HD2 LEU 16 -1.252 4.940 -8.432 113 HD23 LEU 16 2HD2 LEU 16 -1.367 4.393 -6.759 114 H ALA 17 H ALA 17 -0.426 10.677 -7.586 115 HA ALA 17 HA ALA 17 0.522 11.201 -10.233 116 HB1 ALA 17 1HB ALA 17 -0.191 13.132 -8.030 117 HB2 ALA 17 2HB ALA 17 -1.299 12.497 -9.246 118 HB3 ALA 17 3HB ALA 17 0.039 13.539 -9.730 119 H ALA 18 H ALA 18 1.914 11.251 -7.067 120 HA ALA 18 HA ALA 18 4.258 12.729 -7.735 121 HB1 ALA 18 1HB ALA 18 5.194 11.778 -5.679 122 HB2 ALA 18 2HB ALA 18 3.828 10.667 -5.569 123 HB3 ALA 18 3HB ALA 18 3.568 12.404 -5.410 124 H CYS 19 H CYS 19 3.123 9.564 -8.315 125 HA CYS 19 HA CYS 19 5.779 8.630 -9.147 126 HB2 CYS 19 2HB CYS 19 3.211 7.061 -8.825 127 HB3 CYS 19 1HB CYS 19 4.814 6.398 -9.127 128 HG CYS 19 HG CYS 19 3.656 7.844 -6.259 129 H LYS 20 H LYS 20 4.242 10.588 -10.640 130 HA LYS 20 HA LYS 20 2.962 9.412 -12.858 131 HB2 LYS 20 2HB LYS 20 3.120 11.641 -13.829 132 HB3 LYS 20 1HB LYS 20 2.577 11.726 -12.168 133 HG2 LYS 20 2HG LYS 20 4.904 12.287 -11.506 134 HG3 LYS 20 1HG LYS 20 5.331 12.347 -13.215 135 HD2 LYS 20 2HD LYS 20 3.087 14.005 -12.109 136 HD3 LYS 20 1HD LYS 20 4.756 14.550 -12.007 137 HE2 LYS 20 2HE LYS 20 3.774 15.534 -13.948 138 HE3 LYS 20 1HE LYS 20 4.921 14.310 -14.479 139 HZ1 LYS 20 3HZ LYS 20 3.157 12.837 -14.998 140 HZ2 LYS 20 1HZ LYS 20 2.770 14.327 -15.687 141 HZ3 LYS 20 2HZ LYS 20 2.002 13.830 -14.266 142 H ALA 21 H ALA 21 6.195 9.594 -11.967 143 HA ALA 21 HA ALA 21 7.427 9.737 -14.517 144 HB1 ALA 21 1HB ALA 21 9.418 8.877 -13.340 145 HB2 ALA 21 2HB ALA 21 8.426 8.606 -11.907 146 HB3 ALA 21 3HB ALA 21 8.675 10.243 -12.510 147 H GLU 22 H GLU 22 7.211 8.288 -16.061 148 HA GLU 22 HA GLU 22 6.006 5.800 -15.845 149 HB2 GLU 22 2HB GLU 22 7.974 6.795 -17.909 150 HB3 GLU 22 1HB GLU 22 7.007 5.338 -18.079 151 HG2 GLU 22 2HG GLU 22 5.871 8.090 -17.715 152 HG3 GLU 22 1HG GLU 22 6.105 7.311 -19.279 153 H GLY 23 H GLY 23 6.670 4.150 -14.676 154 HA2 GLY 23 2HA GLY 23 7.993 2.214 -14.452 155 HA3 GLY 23 1HA GLY 23 9.311 3.053 -15.248 156 H SER 24 H SER 24 8.144 5.127 -12.968 157 HA SER 24 HA SER 24 10.058 4.130 -10.960 158 HB2 SER 24 2HB SER 24 9.615 7.032 -11.690 159 HB3 SER 24 1HB SER 24 10.825 6.391 -10.580 160 HG SER 24 HG SER 24 11.106 5.139 -12.905 161 H PHE 25 H PHE 25 8.205 3.207 -9.897 162 HA PHE 25 HA PHE 25 6.261 5.081 -8.792 163 HB2 PHE 25 2HB PHE 25 5.631 2.793 -9.787 164 HB3 PHE 25 1HB PHE 25 6.336 2.104 -8.325 165 HD1 PHE 25 1HD PHE 25 3.631 4.223 -9.634 166 HD2 PHE 25 2HD PHE 25 5.194 2.185 -6.242 167 HE1 PHE 25 1HE PHE 25 1.506 4.571 -8.449 168 HE2 PHE 25 2HE PHE 25 3.069 2.529 -5.052 169 HZ PHE 25 HZ PHE 25 1.220 3.723 -6.156 170 H ASP 26 H ASP 26 6.211 5.670 -6.681 171 HA ASP 26 HA ASP 26 8.330 4.585 -4.967 172 HB2 ASP 26 2HB ASP 26 8.129 7.098 -5.366 173 HB3 ASP 26 1HB ASP 26 6.661 7.034 -4.396 174 H HIS 27 H HIS 27 7.363 2.700 -4.334 175 HA HIS 27 HA HIS 27 4.739 2.345 -3.465 176 HB2 HIS 27 2HB HIS 27 5.380 0.188 -3.079 177 HB3 HIS 27 1HB HIS 27 6.860 0.703 -3.868 178 HD1 HIS 27 1HD HIS 27 5.487 -0.114 -0.462 179 HD2 HIS 27 2HD HIS 27 9.124 0.767 -2.265 180 HE1 HIS 27 1HE HIS 27 7.239 -0.633 1.262 181 HE2 HIS 27 2HE HIS 27 9.405 0.105 0.216 182 H LYS 28 H LYS 28 7.392 3.794 -1.918 183 HA LYS 28 HA LYS 28 6.613 3.325 0.779 184 HB2 LYS 28 2HB LYS 28 8.927 3.736 0.067 185 HB3 LYS 28 1HB LYS 28 8.479 5.356 -0.451 186 HG2 LYS 28 2HG LYS 28 8.055 6.040 1.805 187 HG3 LYS 28 1HG LYS 28 8.274 4.391 2.394 188 HD2 LYS 28 2HD LYS 28 10.610 4.437 1.729 189 HD3 LYS 28 1HD LYS 28 10.405 6.050 1.052 190 HE2 LYS 28 2HE LYS 28 9.957 5.363 3.950 191 HE3 LYS 28 1HE LYS 28 11.468 6.004 3.310 192 HZ1 LYS 28 3HZ LYS 28 10.367 8.003 2.666 193 HZ2 LYS 28 1HZ LYS 28 9.996 7.706 4.288 194 HZ3 LYS 28 2HZ LYS 28 8.851 7.385 3.086 195 H ALA 29 H ALA 29 6.530 6.223 -1.314 196 HA ALA 29 HA ALA 29 5.076 7.884 0.375 197 HB1 ALA 29 1HB ALA 29 4.404 9.100 -1.625 198 HB2 ALA 29 2HB ALA 29 4.873 7.731 -2.633 199 HB3 ALA 29 3HB ALA 29 6.099 8.625 -1.737 200 H PHE 30 H PHE 30 4.019 5.321 -1.759 201 HA PHE 30 HA PHE 30 1.269 5.931 -1.653 202 HB2 PHE 30 2HB PHE 30 2.347 4.514 -3.400 203 HB3 PHE 30 1HB PHE 30 2.567 3.247 -2.201 204 HD1 PHE 30 1HD PHE 30 -0.068 5.312 -3.818 205 HD2 PHE 30 2HD PHE 30 0.923 1.638 -1.909 206 HE1 PHE 30 1HE PHE 30 -2.299 4.428 -4.364 207 HE2 PHE 30 2HE PHE 30 -1.305 0.750 -2.453 208 HZ PHE 30 HZ PHE 30 -2.920 2.145 -3.682 209 H PHE 31 H PHE 31 3.361 4.046 0.512 210 HA PHE 31 HA PHE 31 1.003 3.227 2.009 211 HB2 PHE 31 2HB PHE 31 2.338 1.828 3.323 212 HB3 PHE 31 1HB PHE 31 3.035 1.730 1.732 213 HD1 PHE 31 2HD PHE 31 3.566 3.468 4.970 214 HD2 PHE 31 1HD PHE 31 5.272 1.855 1.433 215 HE1 PHE 31 2HE PHE 31 5.813 3.806 5.912 216 HE2 PHE 31 1HE PHE 31 7.521 2.177 2.369 217 HZ PHE 31 HZ PHE 31 7.796 3.156 4.608 218 H THR 32 H THR 32 3.738 5.395 2.473 219 HA THR 32 HA THR 32 2.902 5.921 5.190 220 HB THR 32 HB THR 32 5.262 5.523 4.396 221 HG1 THR 32 1HG THR 32 4.569 6.575 6.459 222 HG21 THR 32 3HG2 THR 32 6.478 7.520 3.588 223 HG22 THR 32 1HG2 THR 32 4.945 8.394 3.483 224 HG23 THR 32 2HG2 THR 32 5.229 6.989 2.457 225 H LYS 33 H LYS 33 3.088 7.642 2.156 226 HA LYS 33 HA LYS 33 2.396 10.181 3.315 227 HB2 LYS 33 2HB LYS 33 3.938 10.143 1.508 228 HB3 LYS 33 1HB LYS 33 2.867 9.167 0.524 229 HG2 LYS 33 2HG LYS 33 1.970 11.863 1.380 230 HG3 LYS 33 1HG LYS 33 3.150 11.714 0.076 231 HD2 LYS 33 2HD LYS 33 1.569 10.104 -1.038 232 HD3 LYS 33 1HD LYS 33 0.378 10.545 0.197 233 HE2 LYS 33 2HE LYS 33 1.768 12.527 -1.568 234 HE3 LYS 33 1HE LYS 33 0.187 11.835 -1.939 235 HZ1 LYS 33 3HZ LYS 33 -0.674 12.773 0.114 236 HZ2 LYS 33 1HZ LYS 33 0.004 13.996 -0.845 237 HZ3 LYS 33 2HZ LYS 33 0.851 13.410 0.493 238 H VAL 34 H VAL 34 0.898 7.556 1.669 239 HA VAL 34 HA VAL 34 -1.695 8.663 1.421 240 HB VAL 34 HB VAL 34 -0.420 6.008 1.248 241 HG11 VAL 34 1HG1 VAL 34 -3.361 6.231 1.824 242 HG12 VAL 34 2HG1 VAL 34 -2.137 5.474 2.846 243 HG13 VAL 34 3HG1 VAL 34 -2.523 4.780 1.270 244 HG21 VAL 34 3HG2 VAL 34 -2.541 7.418 -0.346 245 HG22 VAL 34 1HG2 VAL 34 -1.808 5.872 -0.769 246 HG23 VAL 34 2HG2 VAL 34 -0.820 7.332 -0.718 247 H GLY 35 H GLY 35 0.087 7.084 3.984 248 HA2 GLY 35 2HA GLY 35 -0.310 7.368 6.278 249 HA3 GLY 35 1HA GLY 35 -1.940 7.910 5.908 250 H LEU 36 H LEU 36 -0.722 5.023 4.415 251 HA LEU 36 HA LEU 36 -2.876 3.549 5.664 252 HB2 LEU 36 2HB LEU 36 -2.290 3.409 3.223 253 HB3 LEU 36 1HB LEU 36 -0.832 2.553 3.689 254 HG LEU 36 HG LEU 36 -2.322 0.844 4.799 255 HD11 LEU 36 1HD1 LEU 36 -4.476 2.116 3.128 256 HD12 LEU 36 2HD1 LEU 36 -4.310 2.367 4.862 257 HD13 LEU 36 3HD1 LEU 36 -4.629 0.751 4.236 258 HD21 LEU 36 3HD2 LEU 36 -2.828 -0.295 2.717 259 HD22 LEU 36 1HD2 LEU 36 -1.239 0.462 2.647 260 HD23 LEU 36 2HD2 LEU 36 -2.607 1.210 1.822 261 H ALA 37 H ALA 37 0.504 3.947 6.136 262 HA ALA 37 HA ALA 37 1.165 1.402 7.166 263 HB1 ALA 37 1HB ALA 37 2.927 2.856 6.512 264 HB2 ALA 37 2HB ALA 37 3.080 2.600 8.248 265 HB3 ALA 37 3HB ALA 37 2.401 4.106 7.633 266 H ALA 38 H ALA 38 -0.282 4.235 8.638 267 HA ALA 38 HA ALA 38 -0.139 2.993 11.282 268 HB1 ALA 38 1HB ALA 38 -1.114 5.730 10.480 269 HB2 ALA 38 2HB ALA 38 0.489 5.343 11.105 270 HB3 ALA 38 3HB ALA 38 -0.931 5.138 12.130 271 H LYS 39 H LYS 39 -1.867 1.983 9.116 272 HA LYS 39 HA LYS 39 -4.533 2.500 10.195 273 HB2 LYS 39 2HB LYS 39 -3.536 1.141 7.706 274 HB3 LYS 39 1HB LYS 39 -5.202 0.959 8.235 275 HG2 LYS 39 2HG LYS 39 -3.814 3.549 7.547 276 HG3 LYS 39 1HG LYS 39 -5.001 2.701 6.557 277 HD2 LYS 39 2HD LYS 39 -6.667 2.996 8.358 278 HD3 LYS 39 1HD LYS 39 -5.475 3.921 9.273 279 HE2 LYS 39 2HE LYS 39 -6.462 4.648 6.523 280 HE3 LYS 39 1HE LYS 39 -7.096 5.326 8.021 281 HZ1 LYS 39 3HZ LYS 39 -4.905 6.223 8.499 282 HZ2 LYS 39 1HZ LYS 39 -5.460 6.782 7.002 283 HZ3 LYS 39 2HZ LYS 39 -4.289 5.562 7.070 284 H SER 40 H SER 40 -5.892 0.838 10.872 285 HA SER 40 HA SER 40 -4.588 -1.192 12.397 286 HB2 SER 40 2HB SER 40 -7.549 -0.858 11.858 287 HB3 SER 40 1HB SER 40 -6.806 -1.727 13.200 288 HG SER 40 HG SER 40 -5.794 0.652 13.341 289 HA PRO 41 HA PRO 41 -4.417 -4.764 9.815 290 HB2 PRO 41 2HB PRO 41 -6.342 -5.963 11.773 291 HB3 PRO 41 1HB PRO 41 -4.876 -6.661 11.070 292 HG2 PRO 41 2HG PRO 41 -4.835 -5.672 13.532 293 HG3 PRO 41 1HG PRO 41 -3.470 -5.409 12.432 294 HD2 PRO 41 2HD PRO 41 -5.561 -3.504 13.340 295 HD3 PRO 41 1HD PRO 41 -3.881 -3.196 12.861 296 H ALA 42 H ALA 42 -7.703 -4.155 11.072 297 HA ALA 42 HA ALA 42 -9.124 -5.503 9.086 298 HB1 ALA 42 1HB ALA 42 -11.059 -4.239 9.824 299 HB2 ALA 42 2HB ALA 42 -10.013 -3.088 10.655 300 HB3 ALA 42 3HB ALA 42 -10.097 -4.760 11.208 301 H ASP 43 H ASP 43 -8.030 -2.137 9.181 302 HA ASP 43 HA ASP 43 -9.430 -1.394 6.798 303 HB2 ASP 43 2HB ASP 43 -7.179 -0.013 8.275 304 HB3 ASP 43 1HB ASP 43 -8.078 0.692 6.934 305 H ILE 44 H ILE 44 -6.133 -2.336 7.582 306 HA ILE 44 HA ILE 44 -5.199 -2.022 4.909 307 HB ILE 44 HB ILE 44 -4.104 -3.197 7.417 308 HG12 ILE 44 2HG1 ILE 44 -3.178 -1.131 5.422 309 HG13 ILE 44 1HG1 ILE 44 -3.845 -0.837 7.023 310 HG21 ILE 44 1HG2 ILE 44 -2.856 -3.638 4.709 311 HG22 ILE 44 2HG2 ILE 44 -3.496 -4.885 5.779 312 HG23 ILE 44 3HG2 ILE 44 -2.076 -3.954 6.260 313 HD11 ILE 44 3HD1 ILE 44 -1.223 -2.177 6.416 314 HD12 ILE 44 1HD1 ILE 44 -1.881 -1.879 8.026 315 HD13 ILE 44 2HD1 ILE 44 -1.444 -0.523 6.985 316 H LYS 45 H LYS 45 -6.865 -4.511 6.641 317 HA LYS 45 HA LYS 45 -6.378 -6.707 4.941 318 HB2 LYS 45 2HB LYS 45 -7.422 -6.870 7.188 319 HB3 LYS 45 1HB LYS 45 -8.868 -6.103 6.547 320 HG2 LYS 45 2HG LYS 45 -9.276 -8.434 6.629 321 HG3 LYS 45 1HG LYS 45 -9.059 -8.001 4.933 322 HD2 LYS 45 2HD LYS 45 -6.660 -8.715 5.170 323 HD3 LYS 45 1HD LYS 45 -7.082 -9.352 6.760 324 HE2 LYS 45 2HE LYS 45 -8.814 -10.756 5.672 325 HE3 LYS 45 1HE LYS 45 -8.237 -10.183 4.109 326 HZ1 LYS 45 3HZ LYS 45 -6.638 -11.703 6.095 327 HZ2 LYS 45 1HZ LYS 45 -6.074 -11.149 4.601 328 HZ3 LYS 45 2HZ LYS 45 -7.287 -12.323 4.666 329 H LYS 46 H LYS 46 -8.912 -4.192 4.873 330 HA LYS 46 HA LYS 46 -10.209 -5.301 2.608 331 HB2 LYS 46 2HB LYS 46 -11.363 -3.133 2.397 332 HB3 LYS 46 1HB LYS 46 -11.428 -3.764 4.031 333 HG2 LYS 46 2HG LYS 46 -10.958 -1.600 4.491 334 HG3 LYS 46 1HG LYS 46 -9.314 -2.210 4.331 335 HD2 LYS 46 2HD LYS 46 -9.001 -0.566 2.852 336 HD3 LYS 46 1HD LYS 46 -9.989 -1.517 1.745 337 HE2 LYS 46 2HE LYS 46 -10.978 0.626 3.627 338 HE3 LYS 46 1HE LYS 46 -10.780 0.790 1.884 339 HZ1 LYS 46 3HZ LYS 46 -13.083 0.366 2.526 340 HZ2 LYS 46 1HZ LYS 46 -12.634 -1.108 3.216 341 HZ3 LYS 46 2HZ LYS 46 -12.477 -0.869 1.553 342 H VAL 47 H VAL 47 -7.529 -3.086 3.042 343 HA VAL 47 HA VAL 47 -7.211 -2.387 0.329 344 HB VAL 47 HB VAL 47 -5.103 -2.626 2.477 345 HG11 VAL 47 1HG1 VAL 47 -4.138 -2.677 0.224 346 HG12 VAL 47 2HG1 VAL 47 -3.752 -1.171 1.061 347 HG13 VAL 47 3HG1 VAL 47 -5.006 -1.193 -0.176 348 HG21 VAL 47 3HG2 VAL 47 -6.727 -0.281 1.495 349 HG22 VAL 47 1HG2 VAL 47 -5.371 -0.171 2.616 350 HG23 VAL 47 2HG2 VAL 47 -6.828 -1.047 3.081 351 H PHE 48 H PHE 48 -6.190 -5.204 2.174 352 HA PHE 48 HA PHE 48 -4.568 -6.441 0.258 353 HB2 PHE 48 2HB PHE 48 -6.412 -7.640 2.328 354 HB3 PHE 48 1HB PHE 48 -5.331 -8.601 1.331 355 HD1 PHE 48 2HD PHE 48 -3.447 -5.824 1.737 356 HD2 PHE 48 1HD PHE 48 -5.058 -8.995 4.070 357 HE1 PHE 48 2HE PHE 48 -1.652 -5.519 3.387 358 HE2 PHE 48 1HE PHE 48 -3.268 -8.693 5.726 359 HZ PHE 48 HZ PHE 48 -1.559 -6.954 5.385 360 H GLU 49 H GLU 49 -8.028 -6.176 0.553 361 HA GLU 49 HA GLU 49 -8.567 -7.923 -1.674 362 HB2 GLU 49 2HB GLU 49 -10.357 -5.876 -0.366 363 HB3 GLU 49 1HB GLU 49 -10.868 -7.179 -1.429 364 HG2 GLU 49 2HG GLU 49 -10.128 -8.820 0.211 365 HG3 GLU 49 1HG GLU 49 -9.588 -7.521 1.273 366 H ILE 50 H ILE 50 -7.698 -4.615 -1.283 367 HA ILE 50 HA ILE 50 -8.755 -3.555 -3.653 368 HB ILE 50 HB ILE 50 -6.512 -2.773 -1.844 369 HG12 ILE 50 2HG1 ILE 50 -7.948 -1.272 -1.012 370 HG13 ILE 50 1HG1 ILE 50 -8.571 -0.820 -2.592 371 HG21 ILE 50 1HG2 ILE 50 -7.076 -1.561 -4.526 372 HG22 ILE 50 2HG2 ILE 50 -5.538 -2.113 -3.857 373 HG23 ILE 50 3HG2 ILE 50 -6.304 -0.661 -3.222 374 HD11 ILE 50 3HD1 ILE 50 -10.214 -1.806 -0.983 375 HD12 ILE 50 1HD1 ILE 50 -9.342 -3.331 -1.153 376 HD13 ILE 50 2HD1 ILE 50 -10.128 -2.598 -2.557 377 H ILE 51 H ILE 51 -5.541 -5.032 -3.054 378 HA ILE 51 HA ILE 51 -4.690 -4.728 -5.751 379 HB ILE 51 HB ILE 51 -3.102 -6.775 -5.235 380 HG12 ILE 51 2HG1 ILE 51 -4.546 -7.281 -3.088 381 HG13 ILE 51 1HG1 ILE 51 -2.796 -7.405 -2.992 382 HG21 ILE 51 1HG2 ILE 51 -2.872 -4.116 -3.825 383 HG22 ILE 51 2HG2 ILE 51 -2.341 -4.521 -5.459 384 HG23 ILE 51 3HG2 ILE 51 -1.557 -5.269 -4.066 385 HD11 ILE 51 3HD1 ILE 51 -3.152 -6.228 -1.104 386 HD12 ILE 51 1HD1 ILE 51 -4.641 -5.485 -1.698 387 HD13 ILE 51 2HD1 ILE 51 -3.073 -4.868 -2.219 388 H ASP 52 H ASP 52 -6.627 -7.079 -4.074 389 HA ASP 52 HA ASP 52 -6.719 -8.840 -6.363 390 HB2 ASP 52 2HB ASP 52 -6.957 -9.563 -3.875 391 HB3 ASP 52 1HB ASP 52 -8.618 -8.990 -4.031 392 H GLN 53 H GLN 53 -7.469 -6.829 -7.645 393 HA GLN 53 HA GLN 53 -9.883 -5.543 -7.397 394 HB2 GLN 53 2HB GLN 53 -8.244 -4.999 -9.147 395 HB3 GLN 53 1HB GLN 53 -8.604 -6.517 -9.960 396 HG2 GLN 53 2HG GLN 53 -11.002 -5.665 -10.119 397 HG3 GLN 53 1HG GLN 53 -10.340 -4.092 -9.678 398 HE21 GLN 53 1HE2 GLN 53 -11.638 -4.927 -12.139 399 HE22 GLN 53 2HE2 GLN 53 -10.499 -4.632 -13.409 400 H ASP 54 H ASP 54 -9.259 -8.642 -8.945 401 HA ASP 54 HA ASP 54 -11.946 -9.078 -9.807 402 HB2 ASP 54 2HB ASP 54 -9.650 -11.015 -9.478 403 HB3 ASP 54 1HB ASP 54 -11.177 -11.402 -10.259 404 H LYS 55 H LYS 55 -10.389 -9.507 -6.780 405 HA LYS 55 HA LYS 55 -10.976 -10.494 -4.823 406 HB2 LYS 55 2HB LYS 55 -13.553 -9.720 -6.059 407 HB3 LYS 55 1HB LYS 55 -13.629 -10.759 -4.648 408 HG2 LYS 55 2HG LYS 55 -12.238 -8.091 -4.781 409 HG3 LYS 55 1HG LYS 55 -13.843 -8.369 -4.107 410 HD2 LYS 55 2HD LYS 55 -11.256 -9.561 -3.100 411 HD3 LYS 55 1HD LYS 55 -12.167 -8.257 -2.343 412 HE2 LYS 55 2HE LYS 55 -14.047 -9.760 -1.974 413 HE3 LYS 55 1HE LYS 55 -13.176 -11.066 -2.772 414 HZ1 LYS 55 3HZ LYS 55 -11.478 -10.913 -1.032 415 HZ2 LYS 55 1HZ LYS 55 -13.001 -11.288 -0.401 416 HZ3 LYS 55 2HZ LYS 55 -12.389 -9.719 -0.241 417 H SER 56 H SER 56 -9.904 -12.396 -5.965 418 HA SER 56 HA SER 56 -11.741 -14.688 -5.831 419 HB2 SER 56 2HB SER 56 -10.317 -15.748 -7.640 420 HB3 SER 56 1HB SER 56 -11.317 -14.394 -8.166 421 HG SER 56 HG SER 56 -9.344 -13.973 -8.992 422 H ASP 57 H ASP 57 -9.461 -13.214 -4.254 423 HA ASP 57 HA ASP 57 -8.071 -13.786 -2.568 424 HB2 ASP 57 2HB ASP 57 -8.902 -16.607 -3.238 425 HB3 ASP 57 1HB ASP 57 -7.760 -16.225 -1.955 426 H PHE 58 H PHE 58 -7.573 -14.409 -5.731 427 HA PHE 58 HA PHE 58 -4.698 -14.856 -5.269 428 HB2 PHE 58 2HB PHE 58 -6.360 -15.556 -7.702 429 HB3 PHE 58 1HB PHE 58 -4.607 -15.682 -7.627 430 HD1 PHE 58 2HD PHE 58 -3.582 -17.289 -5.978 431 HD2 PHE 58 1HD PHE 58 -7.736 -17.273 -6.900 432 HE1 PHE 58 2HE PHE 58 -3.784 -19.569 -5.084 433 HE2 PHE 58 1HE PHE 58 -7.946 -19.554 -6.000 434 HZ PHE 58 HZ PHE 58 -5.969 -20.705 -5.093 435 H VAL 59 H VAL 59 -3.438 -13.143 -5.738 436 HA VAL 59 HA VAL 59 -4.718 -10.936 -7.212 437 HB VAL 59 HB VAL 59 -2.615 -10.674 -5.092 438 HG11 VAL 59 1HG1 VAL 59 -3.575 -8.397 -4.957 439 HG12 VAL 59 2HG1 VAL 59 -4.398 -8.748 -6.477 440 HG13 VAL 59 3HG1 VAL 59 -2.634 -8.768 -6.400 441 HG21 VAL 59 3HG2 VAL 59 -4.447 -9.991 -3.579 442 HG22 VAL 59 1HG2 VAL 59 -4.504 -11.696 -4.031 443 HG23 VAL 59 2HG2 VAL 59 -5.595 -10.546 -4.799 444 H GLU 60 H GLU 60 -3.881 -11.197 -9.243 445 HA GLU 60 HA GLU 60 -1.059 -11.869 -9.553 446 HB2 GLU 60 2HB GLU 60 -3.361 -11.796 -11.491 447 HB3 GLU 60 1HB GLU 60 -1.704 -12.120 -11.975 448 HG2 GLU 60 2HG GLU 60 -3.233 -13.737 -9.960 449 HG3 GLU 60 1HG GLU 60 -3.066 -14.153 -11.665 450 H GLU 61 H GLU 61 -0.165 -10.867 -11.775 451 HA GLU 61 HA GLU 61 0.366 -8.138 -11.166 452 HB2 GLU 61 2HB GLU 61 2.063 -9.530 -12.206 453 HB3 GLU 61 1HB GLU 61 1.032 -9.785 -13.607 454 HG2 GLU 61 2HG GLU 61 1.094 -7.243 -13.875 455 HG3 GLU 61 1HG GLU 61 2.456 -7.294 -12.761 456 H ASP 62 H ASP 62 -1.416 -9.730 -13.789 457 HA ASP 62 HA ASP 62 -2.097 -7.392 -15.204 458 HB2 ASP 62 2HB ASP 62 -3.597 -10.018 -15.058 459 HB3 ASP 62 1HB ASP 62 -3.848 -8.766 -16.270 460 H GLU 63 H GLU 63 -3.259 -8.760 -12.328 461 HA GLU 63 HA GLU 63 -5.777 -7.381 -12.267 462 HB2 GLU 63 2HB GLU 63 -5.352 -9.556 -11.145 463 HB3 GLU 63 1HB GLU 63 -4.227 -8.745 -10.064 464 HG2 GLU 63 2HG GLU 63 -5.953 -7.496 -9.056 465 HG3 GLU 63 1HG GLU 63 -7.116 -7.976 -10.295 466 H LEU 64 H LEU 64 -2.593 -7.049 -10.729 467 HA LEU 64 HA LEU 64 -3.124 -4.715 -9.287 468 HB2 LEU 64 2HB LEU 64 -0.742 -6.187 -10.081 469 HB3 LEU 64 1HB LEU 64 -0.489 -4.460 -9.880 470 HG LEU 64 HG LEU 64 -1.899 -4.981 -7.649 471 HD11 LEU 64 1HD1 LEU 64 -2.058 -7.355 -8.069 472 HD12 LEU 64 2HD1 LEU 64 -1.065 -7.040 -6.646 473 HD13 LEU 64 3HD1 LEU 64 -0.303 -7.474 -8.175 474 HD21 LEU 64 3HD2 LEU 64 0.259 -4.974 -6.487 475 HD22 LEU 64 1HD2 LEU 64 0.156 -3.752 -7.754 476 HD23 LEU 64 2HD2 LEU 64 1.071 -5.235 -8.031 477 H LYS 65 H LYS 65 -2.719 -5.208 -12.629 478 HA LYS 65 HA LYS 65 -1.802 -2.743 -13.481 479 HB2 LYS 65 2HB LYS 65 -3.230 -4.976 -14.631 480 HB3 LYS 65 1HB LYS 65 -3.824 -3.458 -15.281 481 HG2 LYS 65 2HG LYS 65 -2.031 -4.492 -16.626 482 HG3 LYS 65 1HG LYS 65 -1.653 -2.863 -16.072 483 HD2 LYS 65 2HD LYS 65 -0.167 -3.682 -14.411 484 HD3 LYS 65 1HD LYS 65 -0.702 -5.352 -14.653 485 HE2 LYS 65 2HE LYS 65 0.217 -5.317 -16.917 486 HE3 LYS 65 1HE LYS 65 0.731 -3.646 -16.696 487 HZ1 LYS 65 3HZ LYS 65 2.161 -4.459 -14.847 488 HZ2 LYS 65 1HZ LYS 65 2.595 -5.063 -16.367 489 HZ3 LYS 65 2HZ LYS 65 1.757 -6.046 -15.282 490 H LEU 66 H LEU 66 -5.219 -3.698 -12.976 491 HA LEU 66 HA LEU 66 -5.873 -0.839 -12.946 492 HB2 LEU 66 2HB LEU 66 -7.654 -3.228 -13.369 493 HB3 LEU 66 1HB LEU 66 -8.248 -1.587 -13.192 494 HG LEU 66 HG LEU 66 -8.208 -1.763 -15.469 495 HD11 LEU 66 1HD1 LEU 66 -6.829 0.129 -14.845 496 HD12 LEU 66 2HD1 LEU 66 -6.241 -0.596 -16.341 497 HD13 LEU 66 3HD1 LEU 66 -5.395 -0.897 -14.820 498 HD21 LEU 66 3HD2 LEU 66 -6.465 -2.983 -16.738 499 HD22 LEU 66 1HD2 LEU 66 -7.372 -4.005 -15.625 500 HD23 LEU 66 2HD2 LEU 66 -5.746 -3.474 -15.205 501 H PHE 67 H PHE 67 -5.016 -2.954 -10.680 502 HA PHE 67 HA PHE 67 -7.163 -2.967 -8.855 503 HB2 PHE 67 2HB PHE 67 -5.755 -3.997 -7.408 504 HB3 PHE 67 1HB PHE 67 -4.735 -4.128 -8.825 505 HD1 PHE 67 1HD PHE 67 -5.239 -2.476 -5.626 506 HD2 PHE 67 2HD PHE 67 -2.705 -2.765 -9.017 507 HE1 PHE 67 1HE PHE 67 -3.471 -1.284 -4.396 508 HE2 PHE 67 2HE PHE 67 -0.930 -1.577 -7.802 509 HZ PHE 67 HZ PHE 67 -1.312 -0.833 -5.485 510 H LEU 68 H LEU 68 -4.793 -0.541 -9.646 511 HA LEU 68 HA LEU 68 -5.162 1.081 -7.336 512 HB2 LEU 68 2HB LEU 68 -4.268 2.196 -9.965 513 HB3 LEU 68 1HB LEU 68 -3.754 2.638 -8.349 514 HG LEU 68 HG LEU 68 -2.882 0.063 -8.495 515 HD11 LEU 68 1HD1 LEU 68 -1.845 -0.286 -10.641 516 HD12 LEU 68 2HD1 LEU 68 -2.451 1.260 -11.228 517 HD13 LEU 68 3HD1 LEU 68 -3.579 -0.049 -10.877 518 HD21 LEU 68 3HD2 LEU 68 -1.660 2.068 -7.720 519 HD22 LEU 68 1HD2 LEU 68 -1.349 2.495 -9.402 520 HD23 LEU 68 2HD2 LEU 68 -0.680 1.006 -8.730 521 H GLN 69 H GLN 69 -6.610 0.925 -10.513 522 HA GLN 69 HA GLN 69 -8.184 3.305 -10.157 523 HB2 GLN 69 2HB GLN 69 -8.460 1.077 -12.190 524 HB3 GLN 69 1HB GLN 69 -9.262 2.642 -12.262 525 HG2 GLN 69 2HG GLN 69 -7.037 3.726 -12.380 526 HG3 GLN 69 1HG GLN 69 -6.302 2.124 -12.436 527 HE21 GLN 69 1HE2 GLN 69 -5.400 2.514 -14.452 528 HE22 GLN 69 2HE2 GLN 69 -6.347 2.541 -15.896 529 H ASN 70 H ASN 70 -8.295 0.150 -9.082 530 HA ASN 70 HA ASN 70 -11.157 0.056 -8.609 531 HB2 ASN 70 2HB ASN 70 -9.846 -2.017 -9.052 532 HB3 ASN 70 1HB ASN 70 -8.923 -1.721 -7.585 533 HD21 ASN 70 1HD2 ASN 70 -9.513 -3.560 -6.539 534 HD22 ASN 70 2HD2 ASN 70 -11.125 -3.878 -5.995 535 H PHE 71 H PHE 71 -8.240 1.049 -7.104 536 HA PHE 71 HA PHE 71 -9.302 1.197 -4.425 537 HB2 PHE 71 2HB PHE 71 -6.893 0.690 -5.015 538 HB3 PHE 71 1HB PHE 71 -6.733 2.367 -5.513 539 HD1 PHE 71 2HD PHE 71 -8.607 1.138 -2.561 540 HD2 PHE 71 1HD PHE 71 -5.115 3.095 -3.998 541 HE1 PHE 71 2HE PHE 71 -7.999 1.734 -0.256 542 HE2 PHE 71 1HE PHE 71 -4.499 3.693 -1.694 543 HZ PHE 71 HZ PHE 71 -5.940 3.013 0.180 544 H SER 72 H SER 72 -8.194 3.521 -6.886 545 HA SER 72 HA SER 72 -10.157 5.443 -5.895 546 HB2 SER 72 2HB SER 72 -7.218 6.087 -6.242 547 HB3 SER 72 1HB SER 72 -8.485 7.273 -5.922 548 HG SER 72 HG SER 72 -8.752 5.396 -4.106 549 H ALA 73 H ALA 73 -10.051 7.481 -7.476 550 HA ALA 73 HA ALA 73 -10.519 6.258 -10.077 551 HB1 ALA 73 1HB ALA 73 -11.649 8.325 -10.650 552 HB2 ALA 73 2HB ALA 73 -11.090 9.067 -9.150 553 HB3 ALA 73 3HB ALA 73 -12.223 7.716 -9.098 554 H GLY 74 H GLY 74 -8.527 8.876 -8.731 555 HA2 GLY 74 2HA GLY 74 -7.426 9.483 -11.348 556 HA3 GLY 74 1HA GLY 74 -7.041 10.298 -9.840 557 H ALA 75 H ALA 75 -6.807 6.920 -10.915 558 HA ALA 75 HA ALA 75 -4.097 6.889 -9.793 559 HB1 ALA 75 1HB ALA 75 -5.731 5.308 -8.836 560 HB2 ALA 75 2HB ALA 75 -4.340 4.507 -9.565 561 HB3 ALA 75 3HB ALA 75 -5.884 4.547 -10.419 562 H ARG 76 H ARG 76 -2.511 5.547 -10.864 563 HA ARG 76 HA ARG 76 -2.760 5.626 -13.777 564 HB2 ARG 76 2HB ARG 76 -0.181 5.420 -12.229 565 HB3 ARG 76 1HB ARG 76 -0.400 5.905 -13.902 566 HG2 ARG 76 2HG ARG 76 -1.397 7.524 -11.570 567 HG3 ARG 76 1HG ARG 76 0.188 7.749 -12.310 568 HD2 ARG 76 2HD ARG 76 -2.450 7.972 -13.758 569 HD3 ARG 76 1HD ARG 76 -1.509 9.335 -13.152 570 HE ARG 76 HE ARG 76 0.124 7.751 -14.806 571 HH11 ARG 76 1HH1 ARG 76 -2.605 9.929 -15.040 572 HH12 ARG 76 2HH1 ARG 76 -2.207 10.447 -16.646 573 HH21 ARG 76 1HH2 ARG 76 0.653 8.451 -16.900 574 HH22 ARG 76 2HH2 ARG 76 -0.356 9.619 -17.698 575 H ALA 77 H ALA 77 -2.631 3.676 -14.862 576 HA ALA 77 HA ALA 77 -2.574 1.258 -13.323 577 HB1 ALA 77 1HB ALA 77 -3.923 1.397 -15.344 578 HB2 ALA 77 2HB ALA 77 -2.722 0.108 -15.483 579 HB3 ALA 77 3HB ALA 77 -2.469 1.646 -16.312 580 H LEU 78 H LEU 78 -0.809 0.327 -12.581 581 HA LEU 78 HA LEU 78 1.789 1.179 -13.237 582 HB2 LEU 78 2HB LEU 78 0.910 -1.367 -11.876 583 HB3 LEU 78 1HB LEU 78 2.548 -0.744 -11.895 584 HG LEU 78 HG LEU 78 0.152 0.443 -10.515 585 HD11 LEU 78 1HD1 LEU 78 1.509 0.145 -8.517 586 HD12 LEU 78 2HD1 LEU 78 2.809 -0.538 -9.494 587 HD13 LEU 78 3HD1 LEU 78 1.269 -1.388 -9.356 588 HD21 LEU 78 3HD2 LEU 78 1.647 2.247 -9.782 589 HD22 LEU 78 1HD2 LEU 78 1.398 2.261 -11.527 590 HD23 LEU 78 2HD2 LEU 78 2.901 1.629 -10.855 591 H SER 79 H SER 79 2.992 0.728 -14.927 592 HA SER 79 HA SER 79 2.460 -1.789 -16.373 593 HB2 SER 79 2HB SER 79 3.282 0.827 -17.646 594 HB3 SER 79 1HB SER 79 2.721 -0.637 -18.456 595 HG SER 79 HG SER 79 1.147 0.863 -16.620 596 H ASP 80 H ASP 80 4.182 -3.031 -16.789 597 HA ASP 80 HA ASP 80 6.302 -3.777 -17.035 598 HB2 ASP 80 2HB ASP 80 6.960 -0.867 -17.497 599 HB3 ASP 80 1HB ASP 80 8.044 -2.215 -17.821 600 H ALA 81 H ALA 81 8.063 -1.091 -16.003 601 HA ALA 81 HA ALA 81 9.183 -2.681 -13.956 602 HB1 ALA 81 1HB ALA 81 10.510 -1.080 -15.250 603 HB2 ALA 81 2HB ALA 81 10.648 -0.786 -13.516 604 HB3 ALA 81 3HB ALA 81 9.622 0.250 -14.508 605 H GLU 82 H GLU 82 6.711 -0.290 -14.010 606 HA GLU 82 HA GLU 82 6.728 0.493 -11.288 607 HB2 GLU 82 2HB GLU 82 4.182 0.318 -12.864 608 HB3 GLU 82 1HB GLU 82 4.703 1.558 -11.729 609 HG2 GLU 82 2HG GLU 82 6.377 2.302 -13.371 610 HG3 GLU 82 1HG GLU 82 5.740 1.113 -14.506 611 H THR 83 H THR 83 4.819 -1.911 -13.044 612 HA THR 83 HA THR 83 3.617 -2.995 -10.718 613 HB THR 83 HB THR 83 4.049 -4.854 -12.967 614 HG1 THR 83 1HG THR 83 2.347 -2.606 -13.370 615 HG21 THR 83 3HG2 THR 83 1.628 -5.159 -12.699 616 HG22 THR 83 1HG2 THR 83 1.595 -3.832 -11.538 617 HG23 THR 83 2HG2 THR 83 2.475 -5.313 -11.159 618 H LYS 84 H LYS 84 6.501 -3.833 -12.586 619 HA LYS 84 HA LYS 84 7.135 -6.250 -11.373 620 HB2 LYS 84 2HB LYS 84 8.184 -5.473 -13.427 621 HB3 LYS 84 1HB LYS 84 8.966 -4.163 -12.558 622 HG2 LYS 84 2HG LYS 84 10.417 -5.645 -11.431 623 HG3 LYS 84 1HG LYS 84 9.481 -7.056 -11.933 624 HD2 LYS 84 2HD LYS 84 10.116 -6.710 -14.238 625 HD3 LYS 84 1HD LYS 84 10.940 -5.208 -13.820 626 HE2 LYS 84 2HE LYS 84 11.712 -7.901 -12.715 627 HE3 LYS 84 1HE LYS 84 12.432 -7.200 -14.161 628 HZ1 LYS 84 3HZ LYS 84 13.779 -6.788 -12.205 629 HZ2 LYS 84 1HZ LYS 84 12.490 -5.997 -11.450 630 HZ3 LYS 84 2HZ LYS 84 13.193 -5.335 -12.836 631 H VAL 85 H VAL 85 8.586 -3.066 -10.609 632 HA VAL 85 HA VAL 85 10.011 -4.040 -8.365 633 HB VAL 85 HB VAL 85 9.185 -1.194 -8.969 634 HG11 VAL 85 1HG1 VAL 85 11.086 -0.565 -7.558 635 HG12 VAL 85 2HG1 VAL 85 11.363 -2.265 -7.180 636 HG13 VAL 85 3HG1 VAL 85 9.878 -1.476 -6.652 637 HG21 VAL 85 3HG2 VAL 85 11.443 -0.984 -9.936 638 HG22 VAL 85 1HG2 VAL 85 10.439 -2.140 -10.812 639 HG23 VAL 85 2HG2 VAL 85 11.682 -2.716 -9.703 640 H PHE 86 H PHE 86 6.866 -2.497 -8.727 641 HA PHE 86 HA PHE 86 6.352 -2.049 -6.005 642 HB2 PHE 86 2HB PHE 86 5.122 -0.980 -7.871 643 HB3 PHE 86 1HB PHE 86 4.365 -2.515 -8.237 644 HD1 PHE 86 1HD PHE 86 4.759 -0.021 -5.517 645 HD2 PHE 86 2HD PHE 86 2.360 -3.109 -7.191 646 HE1 PHE 86 1HE PHE 86 2.974 0.500 -3.908 647 HE2 PHE 86 2HE PHE 86 0.570 -2.592 -5.585 648 HZ PHE 86 HZ PHE 86 0.876 -0.785 -3.939 649 H LEU 87 H LEU 87 5.580 -4.813 -8.112 650 HA LEU 87 HA LEU 87 4.191 -6.333 -6.186 651 HB2 LEU 87 2HB LEU 87 5.840 -7.187 -8.568 652 HB3 LEU 87 1HB LEU 87 4.921 -8.309 -7.586 653 HG LEU 87 HG LEU 87 3.693 -6.003 -9.099 654 HD11 LEU 87 1HD1 LEU 87 4.690 -7.593 -10.649 655 HD12 LEU 87 2HD1 LEU 87 2.930 -7.695 -10.693 656 HD13 LEU 87 3HD1 LEU 87 3.864 -8.921 -9.835 657 HD21 LEU 87 3HD2 LEU 87 2.359 -6.716 -7.207 658 HD22 LEU 87 1HD2 LEU 87 2.492 -8.400 -7.715 659 HD23 LEU 87 2HD2 LEU 87 1.600 -7.247 -8.706 660 H LYS 88 H LYS 88 7.617 -6.068 -6.984 661 HA LYS 88 HA LYS 88 8.531 -8.177 -5.347 662 HB2 LYS 88 2HB LYS 88 9.963 -5.722 -6.366 663 HB3 LYS 88 1HB LYS 88 10.757 -7.071 -5.564 664 HG2 LYS 88 2HG LYS 88 9.175 -7.308 -8.108 665 HG3 LYS 88 1HG LYS 88 10.927 -7.127 -8.025 666 HD2 LYS 88 2HD LYS 88 10.957 -9.179 -6.573 667 HD3 LYS 88 1HD LYS 88 9.254 -9.399 -6.978 668 HE2 LYS 88 2HE LYS 88 9.803 -9.562 -9.333 669 HE3 LYS 88 1HE LYS 88 11.501 -9.243 -8.983 670 HZ1 LYS 88 3HZ LYS 88 9.939 -11.610 -8.118 671 HZ2 LYS 88 1HZ LYS 88 11.538 -11.295 -7.659 672 HZ3 LYS 88 2HZ LYS 88 11.160 -11.585 -9.283 673 H ALA 89 H ALA 89 7.579 -4.943 -4.623 674 HA ALA 89 HA ALA 89 8.979 -4.572 -2.208 675 HB1 ALA 89 1HB ALA 89 7.809 -2.754 -3.378 676 HB2 ALA 89 2HB ALA 89 7.318 -2.873 -1.688 677 HB3 ALA 89 3HB ALA 89 6.262 -3.491 -2.958 678 H GLY 90 H GLY 90 6.308 -6.581 -3.026 679 HA2 GLY 90 2HA GLY 90 5.864 -7.135 -0.159 680 HA3 GLY 90 1HA GLY 90 4.559 -7.136 -1.336 681 H ASP 91 H ASP 91 5.548 -8.564 -3.410 682 HA ASP 91 HA ASP 91 5.143 -11.216 -2.547 683 HB2 ASP 91 2HB ASP 91 4.630 -10.472 -4.825 684 HB3 ASP 91 1HB ASP 91 6.351 -10.263 -5.147 685 H SER 92 H SER 92 6.507 -12.447 -1.448 686 HA SER 92 HA SER 92 9.368 -11.856 -1.547 687 HB2 SER 92 2HB SER 92 8.227 -11.992 0.652 688 HB3 SER 92 1HB SER 92 7.803 -13.666 0.313 689 HG SER 92 HG SER 92 10.494 -12.838 0.217 690 H ASP 93 H ASP 93 7.128 -13.956 -2.890 691 HA ASP 93 HA ASP 93 8.825 -16.308 -2.914 692 HB2 ASP 93 2HB ASP 93 6.384 -16.053 -4.631 693 HB3 ASP 93 1HB ASP 93 7.036 -17.478 -3.832 694 H GLY 94 H GLY 94 8.151 -13.628 -4.990 695 HA2 GLY 94 2HA GLY 94 9.254 -12.988 -6.928 696 HA3 GLY 94 1HA GLY 94 10.147 -14.504 -6.886 697 H ASP 95 H ASP 95 6.659 -14.058 -6.812 698 HA ASP 95 HA ASP 95 6.487 -15.815 -9.165 699 HB2 ASP 95 2HB ASP 95 4.133 -16.239 -8.362 700 HB3 ASP 95 1HB ASP 95 5.403 -16.808 -7.285 701 H GLY 96 H GLY 96 5.763 -12.642 -8.028 702 HA2 GLY 96 2HA GLY 96 5.381 -10.844 -9.518 703 HA3 GLY 96 1HA GLY 96 4.823 -11.992 -10.722 704 H LYS 97 H LYS 97 3.664 -12.094 -7.462 705 HA LYS 97 HA LYS 97 1.107 -10.794 -8.227 706 HB2 LYS 97 2HB LYS 97 -0.128 -12.608 -7.543 707 HB3 LYS 97 1HB LYS 97 1.308 -13.478 -8.067 708 HG2 LYS 97 2HG LYS 97 2.103 -13.204 -5.613 709 HG3 LYS 97 1HG LYS 97 0.407 -12.833 -5.285 710 HD2 LYS 97 2HD LYS 97 1.422 -15.350 -6.597 711 HD3 LYS 97 1HD LYS 97 0.897 -15.202 -4.921 712 HE2 LYS 97 2HE LYS 97 -1.343 -14.550 -5.715 713 HE3 LYS 97 1HE LYS 97 -0.801 -14.789 -7.375 714 HZ1 LYS 97 3HZ LYS 97 -0.297 -17.115 -6.773 715 HZ2 LYS 97 1HZ LYS 97 -1.941 -16.739 -6.649 716 HZ3 LYS 97 2HZ LYS 97 -0.992 -16.852 -5.257 717 H ILE 98 H ILE 98 -0.170 -10.343 -6.231 718 HA ILE 98 HA ILE 98 1.640 -9.715 -4.010 719 HB ILE 98 HB ILE 98 -0.880 -8.336 -4.897 720 HG12 ILE 98 2HG1 ILE 98 1.181 -7.642 -6.014 721 HG13 ILE 98 1HG1 ILE 98 0.600 -6.357 -4.966 722 HG21 ILE 98 1HG2 ILE 98 0.651 -7.922 -2.336 723 HG22 ILE 98 2HG2 ILE 98 -0.974 -8.589 -2.481 724 HG23 ILE 98 3HG2 ILE 98 -0.669 -6.908 -2.917 725 HD11 ILE 98 3HD1 ILE 98 2.236 -7.161 -3.243 726 HD12 ILE 98 1HD1 ILE 98 2.943 -6.470 -4.702 727 HD13 ILE 98 2HD1 ILE 98 2.905 -8.218 -4.487 728 H GLY 99 H GLY 99 1.476 -11.608 -2.884 729 HA2 GLY 99 2HA GLY 99 -0.943 -12.738 -2.007 730 HA3 GLY 99 1HA GLY 99 0.577 -12.771 -1.111 731 H VAL 100 H VAL 100 -2.296 -12.155 -0.301 732 HA VAL 100 HA VAL 100 -2.695 -9.492 0.134 733 HB VAL 100 HB VAL 100 -3.997 -10.322 2.155 734 HG11 VAL 100 1HG1 VAL 100 -5.780 -11.108 0.722 735 HG12 VAL 100 2HG1 VAL 100 -4.617 -11.537 -0.531 736 HG13 VAL 100 3HG1 VAL 100 -4.891 -9.842 -0.131 737 HG21 VAL 100 3HG2 VAL 100 -3.349 -12.998 0.953 738 HG22 VAL 100 1HG2 VAL 100 -4.456 -12.688 2.286 739 HG23 VAL 100 2HG2 VAL 100 -2.729 -12.405 2.491 740 H ASP 101 H ASP 101 -0.971 -11.799 2.175 741 HA ASP 101 HA ASP 101 -0.386 -9.847 4.189 742 HB2 ASP 101 2HB ASP 101 -0.649 -12.210 4.713 743 HB3 ASP 101 1HB ASP 101 0.738 -12.609 3.701 744 H GLU 102 H GLU 102 1.116 -11.000 1.282 745 HA GLU 102 HA GLU 102 3.727 -10.019 1.645 746 HB2 GLU 102 2HB GLU 102 2.153 -10.098 -0.949 747 HB3 GLU 102 1HB GLU 102 3.903 -10.009 -0.790 748 HG2 GLU 102 2HG GLU 102 2.181 -12.322 0.069 749 HG3 GLU 102 1HG GLU 102 3.149 -12.246 -1.400 750 H PHE 103 H PHE 103 0.767 -8.504 0.449 751 HA PHE 103 HA PHE 103 1.906 -6.009 -0.226 752 HB2 PHE 103 2HB PHE 103 -0.406 -6.934 -0.863 753 HB3 PHE 103 1HB PHE 103 -0.932 -6.380 0.721 754 HD1 PHE 103 2HD PHE 103 0.700 -5.192 -2.394 755 HD2 PHE 103 1HD PHE 103 -1.654 -4.195 1.001 756 HE1 PHE 103 2HE PHE 103 0.337 -2.944 -3.317 757 HE2 PHE 103 1HE PHE 103 -2.020 -1.939 0.086 758 HZ PHE 103 HZ PHE 103 -1.026 -1.312 -2.075 759 H GLY 104 H GLY 104 0.357 -7.216 2.721 760 HA2 GLY 104 2HA GLY 104 0.389 -4.899 4.257 761 HA3 GLY 104 1HA GLY 104 0.548 -6.525 4.906 762 H ALA 105 H ALA 105 2.978 -7.190 3.617 763 HA ALA 105 HA ALA 105 4.847 -6.165 5.456 764 HB1 ALA 105 1HB ALA 105 5.359 -7.583 2.841 765 HB2 ALA 105 2HB ALA 105 5.066 -8.361 4.396 766 HB3 ALA 105 3HB ALA 105 6.512 -7.380 4.161 767 H MET 106 H MET 106 3.971 -5.162 2.189 768 HA MET 106 HA MET 106 6.292 -3.447 1.959 769 HB2 MET 106 2HB MET 106 5.726 -3.112 -0.241 770 HB3 MET 106 1HB MET 106 4.952 -4.660 0.038 771 HG2 MET 106 2HG MET 106 2.818 -3.677 0.188 772 HG3 MET 106 1HG MET 106 3.493 -2.056 0.320 773 HE1 MET 106 3HE MET 106 3.463 -4.575 -3.545 774 HE2 MET 106 1HE MET 106 2.742 -5.086 -2.021 775 HE3 MET 106 2HE MET 106 4.496 -4.973 -2.172 776 H ILE 107 H ILE 107 3.085 -3.192 3.148 777 HA ILE 107 HA ILE 107 2.894 -0.319 2.970 778 HB ILE 107 HB ILE 107 1.365 -2.226 4.763 779 HG12 ILE 107 2HG1 ILE 107 0.517 -1.089 2.093 780 HG13 ILE 107 1HG1 ILE 107 1.138 -2.721 2.321 781 HG21 ILE 107 1HG2 ILE 107 1.265 0.089 5.508 782 HG22 ILE 107 2HG2 ILE 107 -0.298 -0.440 4.885 783 HG23 ILE 107 3HG2 ILE 107 0.739 0.595 3.903 784 HD11 ILE 107 3HD1 ILE 107 -0.732 -3.279 3.729 785 HD12 ILE 107 1HD1 ILE 107 -1.316 -2.623 2.202 786 HD13 ILE 107 2HD1 ILE 107 -1.324 -1.621 3.652 787 H LYS 108 H LYS 108 4.093 -2.701 5.116 788 HA LYS 108 HA LYS 108 4.353 -0.862 7.344 789 HB2 LYS 108 2HB LYS 108 3.462 -2.918 7.970 790 HB3 LYS 108 1HB LYS 108 4.568 -3.822 6.952 791 HG2 LYS 108 2HG LYS 108 5.810 -2.307 9.145 792 HG3 LYS 108 1HG LYS 108 4.770 -3.650 9.622 793 HD2 LYS 108 2HD LYS 108 6.045 -5.109 8.056 794 HD3 LYS 108 1HD LYS 108 7.145 -3.760 7.768 795 HE2 LYS 108 2HE LYS 108 7.999 -5.361 9.433 796 HE3 LYS 108 1HE LYS 108 7.793 -3.738 10.088 797 HZ1 LYS 108 3HZ LYS 108 6.983 -5.418 11.620 798 HZ2 LYS 108 1HZ LYS 108 5.904 -6.002 10.455 799 HZ3 LYS 108 2HZ LYS 108 5.708 -4.446 11.087 800 H ALA 109 H ALA 109 6.332 -2.393 4.910 801 HA ALA 109 HA ALA 109 8.616 -0.871 5.905 802 HB1 ALA 109 1HB ALA 109 8.928 -3.062 6.885 803 HB2 ALA 109 2HB ALA 109 10.129 -2.793 5.622 804 HB3 ALA 109 3HB ALA 109 8.733 -3.824 5.308 Start of MODEL 13 1 H1 MET 1 1HT MET 1 -19.809 12.053 -4.528 2 H2 MET 1 2HT MET 1 -21.042 10.949 -4.197 3 H3 MET 1 3HT MET 1 -20.444 11.097 -5.770 4 HA MET 1 HA MET 1 -19.617 9.108 -4.700 5 HB2 MET 1 2HB MET 1 -17.239 9.463 -5.149 6 HB3 MET 1 1HB MET 1 -18.226 10.228 -6.385 7 HG2 MET 1 2HG MET 1 -17.919 12.392 -5.218 8 HG3 MET 1 1HG MET 1 -16.826 11.586 -4.097 9 HE1 MET 1 2HE MET 1 -14.533 10.441 -4.853 10 HE2 MET 1 3HE MET 1 -13.919 10.476 -6.505 11 HE3 MET 1 1HE MET 1 -15.355 9.527 -6.117 12 H ALA 2 H ALA 2 -18.538 8.114 -2.989 13 HA ALA 2 HA ALA 2 -17.945 9.807 -0.669 14 HB1 ALA 2 1HB ALA 2 -19.663 7.332 -0.555 15 HB2 ALA 2 2HB ALA 2 -20.252 8.990 -0.432 16 HB3 ALA 2 3HB ALA 2 -19.184 8.338 0.811 17 H PHE 3 H PHE 3 -16.251 9.169 0.510 18 HA PHE 3 HA PHE 3 -15.125 6.493 0.039 19 HB2 PHE 3 2HB PHE 3 -13.782 9.153 -0.164 20 HB3 PHE 3 1HB PHE 3 -12.865 7.816 0.515 21 HD1 PHE 3 1HD PHE 3 -14.572 9.064 -2.497 22 HD2 PHE 3 2HD PHE 3 -12.076 6.040 -0.846 23 HE1 PHE 3 1HE PHE 3 -14.019 8.284 -4.765 24 HE2 PHE 3 2HE PHE 3 -11.520 5.255 -3.109 25 HZ PHE 3 HZ PHE 3 -12.491 6.379 -5.074 26 H ALA 4 H ALA 4 -14.044 5.586 1.813 27 HA ALA 4 HA ALA 4 -14.935 6.555 4.386 28 HB1 ALA 4 1HB ALA 4 -13.206 4.180 3.688 29 HB2 ALA 4 2HB ALA 4 -14.958 4.152 3.888 30 HB3 ALA 4 3HB ALA 4 -13.919 4.515 5.266 31 H GLY 5 H GLY 5 -13.599 7.287 6.046 32 HA2 GLY 5 2HA GLY 5 -11.434 8.911 5.206 33 HA3 GLY 5 1HA GLY 5 -11.931 8.633 6.870 34 H ILE 6 H ILE 6 -11.408 5.665 5.590 35 HA ILE 6 HA ILE 6 -8.965 5.113 6.856 36 HB ILE 6 HB ILE 6 -10.121 3.673 4.456 37 HG12 ILE 6 2HG1 ILE 6 -10.660 3.191 7.394 38 HG13 ILE 6 1HG1 ILE 6 -11.791 3.923 6.264 39 HG21 ILE 6 1HG2 ILE 6 -7.830 3.042 4.980 40 HG22 ILE 6 2HG2 ILE 6 -8.940 1.725 5.359 41 HG23 ILE 6 3HG2 ILE 6 -8.284 2.727 6.654 42 HD11 ILE 6 3HD1 ILE 6 -12.324 1.590 6.671 43 HD12 ILE 6 1HD1 ILE 6 -10.719 1.116 6.116 44 HD13 ILE 6 2HD1 ILE 6 -11.862 1.847 4.989 45 H LEU 7 H LEU 7 -9.802 6.282 3.676 46 HA LEU 7 HA LEU 7 -6.997 6.920 3.178 47 HB2 LEU 7 2HB LEU 7 -7.030 6.089 0.930 48 HB3 LEU 7 1HB LEU 7 -7.482 4.780 2.001 49 HG LEU 7 HG LEU 7 -9.605 6.397 0.628 50 HD11 LEU 7 1HD1 LEU 7 -8.122 4.052 -0.546 51 HD12 LEU 7 2HD1 LEU 7 -8.089 5.711 -1.140 52 HD13 LEU 7 3HD1 LEU 7 -9.585 4.781 -1.209 53 HD21 LEU 7 3HD2 LEU 7 -9.461 3.532 1.559 54 HD22 LEU 7 1HD2 LEU 7 -10.860 4.311 0.818 55 HD23 LEU 7 2HD2 LEU 7 -10.280 4.853 2.393 56 H ASN 8 H ASN 8 -6.779 8.944 2.414 57 HA ASN 8 HA ASN 8 -9.175 10.397 1.657 58 HB2 ASN 8 2HB ASN 8 -6.335 11.233 2.177 59 HB3 ASN 8 1HB ASN 8 -7.504 12.334 1.455 60 HD21 ASN 8 1HD2 ASN 8 -6.831 10.354 4.245 61 HD22 ASN 8 2HD2 ASN 8 -7.778 11.264 5.369 62 H ASP 9 H ASP 9 -9.835 10.223 -0.362 63 HA ASP 9 HA ASP 9 -8.454 9.081 -2.478 64 HB2 ASP 9 2HB ASP 9 -10.849 9.228 -2.518 65 HB3 ASP 9 1HB ASP 9 -10.797 10.985 -2.462 66 H ALA 10 H ALA 10 -8.574 12.405 -1.437 67 HA ALA 10 HA ALA 10 -7.293 13.560 -3.698 68 HB1 ALA 10 1HB ALA 10 -7.442 14.496 -0.829 69 HB2 ALA 10 2HB ALA 10 -8.562 14.911 -2.127 70 HB3 ALA 10 3HB ALA 10 -6.892 15.472 -2.193 71 H ASP 11 H ASP 11 -6.106 12.268 -0.613 72 HA ASP 11 HA ASP 11 -3.390 12.948 -1.036 73 HB2 ASP 11 2HB ASP 11 -4.813 11.089 0.823 74 HB3 ASP 11 1HB ASP 11 -3.062 10.990 0.679 75 H ILE 12 H ILE 12 -5.249 10.018 -1.589 76 HA ILE 12 HA ILE 12 -3.234 8.393 -2.620 77 HB ILE 12 HB ILE 12 -6.188 8.553 -2.990 78 HG12 ILE 12 2HG1 ILE 12 -6.021 6.184 -2.171 79 HG13 ILE 12 1HG1 ILE 12 -4.286 6.415 -2.020 80 HG21 ILE 12 1HG2 ILE 12 -6.161 6.596 -4.493 81 HG22 ILE 12 2HG2 ILE 12 -4.411 6.752 -4.628 82 HG23 ILE 12 3HG2 ILE 12 -5.458 8.032 -5.234 83 HD11 ILE 12 3HD1 ILE 12 -4.714 8.232 -0.407 84 HD12 ILE 12 1HD1 ILE 12 -5.316 6.662 0.123 85 HD13 ILE 12 2HD1 ILE 12 -6.437 7.868 -0.508 86 H THR 13 H THR 13 -5.405 10.644 -4.299 87 HA THR 13 HA THR 13 -4.317 10.351 -6.863 88 HB THR 13 HB THR 13 -5.708 12.741 -5.633 89 HG1 THR 13 1HG THR 13 -7.194 11.162 -5.652 90 HG21 THR 13 3HG2 THR 13 -6.210 13.412 -7.923 91 HG22 THR 13 1HG2 THR 13 -5.262 12.060 -8.541 92 HG23 THR 13 2HG2 THR 13 -4.469 13.362 -7.655 93 H ALA 14 H ALA 14 -3.410 12.453 -4.172 94 HA ALA 14 HA ALA 14 -1.661 14.162 -5.510 95 HB1 ALA 14 1HB ALA 14 -2.426 14.528 -3.212 96 HB2 ALA 14 2HB ALA 14 -0.670 14.612 -3.336 97 HB3 ALA 14 3HB ALA 14 -1.438 13.172 -2.672 98 H ALA 15 H ALA 15 -0.808 11.207 -3.664 99 HA ALA 15 HA ALA 15 1.889 11.153 -4.406 100 HB1 ALA 15 1HB ALA 15 0.115 8.810 -3.758 101 HB2 ALA 15 2HB ALA 15 0.934 9.836 -2.581 102 HB3 ALA 15 3HB ALA 15 1.878 8.839 -3.689 103 H LEU 16 H LEU 16 -0.937 9.740 -6.002 104 HA LEU 16 HA LEU 16 0.515 8.319 -7.982 105 HB2 LEU 16 2HB LEU 16 -2.343 9.257 -7.839 106 HB3 LEU 16 1HB LEU 16 -1.718 8.331 -9.187 107 HG LEU 16 HG LEU 16 -1.603 7.350 -6.342 108 HD11 LEU 16 1HD1 LEU 16 -3.707 6.887 -8.442 109 HD12 LEU 16 2HD1 LEU 16 -3.919 7.686 -6.884 110 HD13 LEU 16 3HD1 LEU 16 -3.554 5.961 -6.948 111 HD21 LEU 16 3HD2 LEU 16 -1.314 5.172 -7.415 112 HD22 LEU 16 1HD2 LEU 16 -0.040 6.294 -7.892 113 HD23 LEU 16 2HD2 LEU 16 -1.367 5.942 -9.000 114 H ALA 17 H ALA 17 -0.701 11.596 -7.774 115 HA ALA 17 HA ALA 17 -0.374 12.274 -10.512 116 HB1 ALA 17 1HB ALA 17 -0.407 14.074 -8.092 117 HB2 ALA 17 2HB ALA 17 -1.820 13.549 -9.008 118 HB3 ALA 17 3HB ALA 17 -0.611 14.584 -9.767 119 H ALA 18 H ALA 18 1.737 12.284 -7.735 120 HA ALA 18 HA ALA 18 3.855 13.733 -9.028 121 HB1 ALA 18 1HB ALA 18 3.596 13.795 -6.597 122 HB2 ALA 18 2HB ALA 18 5.172 13.148 -7.052 123 HB3 ALA 18 3HB ALA 18 3.893 12.059 -6.516 124 H CYS 19 H CYS 19 2.602 10.738 -9.441 125 HA CYS 19 HA CYS 19 5.172 9.608 -10.322 126 HB2 CYS 19 2HB CYS 19 2.654 8.141 -9.510 127 HB3 CYS 19 1HB CYS 19 4.167 7.395 -10.012 128 HG CYS 19 HG CYS 19 3.457 9.005 -7.097 129 H LYS 20 H LYS 20 4.391 11.208 -12.149 130 HA LYS 20 HA LYS 20 2.748 9.714 -14.058 131 HB2 LYS 20 2HB LYS 20 2.127 12.067 -13.705 132 HB3 LYS 20 1HB LYS 20 3.749 12.567 -14.161 133 HG2 LYS 20 2HG LYS 20 3.427 11.794 -16.399 134 HG3 LYS 20 1HG LYS 20 1.878 11.073 -15.974 135 HD2 LYS 20 2HD LYS 20 1.281 13.057 -17.037 136 HD3 LYS 20 1HD LYS 20 1.177 13.461 -15.326 137 HE2 LYS 20 2HE LYS 20 3.602 14.031 -17.020 138 HE3 LYS 20 1HE LYS 20 2.285 15.178 -16.805 139 HZ1 LYS 20 3HZ LYS 20 2.722 15.051 -14.377 140 HZ2 LYS 20 1HZ LYS 20 4.002 15.699 -15.271 141 HZ3 LYS 20 2HZ LYS 20 4.090 14.114 -14.706 142 H ALA 21 H ALA 21 5.959 10.753 -13.352 143 HA ALA 21 HA ALA 21 7.051 10.446 -15.954 144 HB1 ALA 21 1HB ALA 21 8.347 10.476 -13.240 145 HB2 ALA 21 2HB ALA 21 8.199 11.818 -14.372 146 HB3 ALA 21 3HB ALA 21 9.234 10.446 -14.761 147 H GLU 22 H GLU 22 7.624 8.689 -17.002 148 HA GLU 22 HA GLU 22 6.999 6.113 -16.083 149 HB2 GLU 22 2HB GLU 22 8.240 5.359 -18.138 150 HB3 GLU 22 1HB GLU 22 6.970 6.538 -18.431 151 HG2 GLU 22 2HG GLU 22 8.688 8.311 -18.504 152 HG3 GLU 22 1HG GLU 22 9.929 7.075 -18.321 153 H GLY 23 H GLY 23 8.045 4.847 -14.726 154 HA2 GLY 23 2HA GLY 23 9.907 3.667 -13.913 155 HA3 GLY 23 1HA GLY 23 10.963 4.836 -14.691 156 H SER 24 H SER 24 8.620 6.551 -13.121 157 HA SER 24 HA SER 24 10.197 6.682 -10.641 158 HB2 SER 24 2HB SER 24 10.712 8.615 -12.099 159 HB3 SER 24 1HB SER 24 9.001 9.035 -12.126 160 HG SER 24 HG SER 24 9.082 9.596 -10.014 161 H PHE 25 H PHE 25 8.207 5.039 -10.494 162 HA PHE 25 HA PHE 25 5.910 6.520 -9.429 163 HB2 PHE 25 2HB PHE 25 6.262 3.624 -10.201 164 HB3 PHE 25 1HB PHE 25 4.847 4.219 -9.337 165 HD1 PHE 25 2HD PHE 25 6.804 4.681 -12.465 166 HD2 PHE 25 1HD PHE 25 3.056 5.136 -10.508 167 HE1 PHE 25 2HE PHE 25 5.764 5.296 -14.606 168 HE2 PHE 25 1HE PHE 25 2.010 5.751 -12.646 169 HZ PHE 25 HZ PHE 25 3.366 5.831 -14.699 170 H ASP 26 H ASP 26 6.275 7.099 -7.409 171 HA ASP 26 HA ASP 26 7.935 5.547 -5.649 172 HB2 ASP 26 2HB ASP 26 6.418 8.129 -5.356 173 HB3 ASP 26 1HB ASP 26 7.184 7.353 -3.976 174 H HIS 27 H HIS 27 6.689 3.611 -5.665 175 HA HIS 27 HA HIS 27 4.052 3.422 -4.735 176 HB2 HIS 27 2HB HIS 27 4.565 0.999 -4.375 177 HB3 HIS 27 1HB HIS 27 4.982 1.593 -5.973 178 HD1 HIS 27 1HD HIS 27 7.382 1.301 -6.716 179 HD2 HIS 27 2HD HIS 27 6.828 0.476 -2.674 180 HE1 HIS 27 1HE HIS 27 9.526 0.253 -5.937 181 HE2 HIS 27 2HE HIS 27 9.239 -0.052 -3.453 182 H LYS 28 H LYS 28 7.083 3.469 -3.020 183 HA LYS 28 HA LYS 28 6.004 2.709 -0.490 184 HB2 LYS 28 2HB LYS 28 8.373 2.473 -0.956 185 HB3 LYS 28 1HB LYS 28 8.505 4.202 -1.243 186 HG2 LYS 28 2HG LYS 28 8.061 4.687 1.069 187 HG3 LYS 28 1HG LYS 28 7.753 2.985 1.405 188 HD2 LYS 28 2HD LYS 28 10.384 4.099 0.449 189 HD3 LYS 28 1HD LYS 28 9.996 3.748 2.132 190 HE2 LYS 28 2HE LYS 28 9.630 1.400 1.553 191 HE3 LYS 28 1HE LYS 28 10.033 1.748 -0.126 192 HZ1 LYS 28 3HZ LYS 28 11.925 0.828 1.008 193 HZ2 LYS 28 1HZ LYS 28 11.845 2.020 2.204 194 HZ3 LYS 28 2HZ LYS 28 12.244 2.442 0.617 195 H ALA 29 H ALA 29 6.957 5.812 -1.939 196 HA ALA 29 HA ALA 29 6.197 7.506 0.108 197 HB1 ALA 29 1HB ALA 29 5.841 8.103 -2.820 198 HB2 ALA 29 2HB ALA 29 7.384 8.190 -1.970 199 HB3 ALA 29 3HB ALA 29 6.060 9.261 -1.510 200 H PHE 30 H PHE 30 4.252 5.874 -2.296 201 HA PHE 30 HA PHE 30 1.836 7.220 -1.897 202 HB2 PHE 30 2HB PHE 30 2.257 5.666 -3.769 203 HB3 PHE 30 1HB PHE 30 2.292 4.314 -2.642 204 HD1 PHE 30 1HD PHE 30 0.145 6.859 -4.210 205 HD2 PHE 30 2HD PHE 30 0.285 3.331 -1.836 206 HE1 PHE 30 1HE PHE 30 -2.282 6.579 -4.490 207 HE2 PHE 30 2HE PHE 30 -2.141 3.045 -2.112 208 HZ PHE 30 HZ PHE 30 -3.428 4.669 -3.443 209 H PHE 31 H PHE 31 2.807 4.043 -0.471 210 HA PHE 31 HA PHE 31 0.548 3.850 1.200 211 HB2 PHE 31 2HB PHE 31 1.527 1.972 2.176 212 HB3 PHE 31 1HB PHE 31 2.261 2.037 0.602 213 HD1 PHE 31 2HD PHE 31 3.015 3.207 4.058 214 HD2 PHE 31 1HD PHE 31 4.449 1.599 0.398 215 HE1 PHE 31 2HE PHE 31 5.254 2.973 5.048 216 HE2 PHE 31 1HE PHE 31 6.685 1.344 1.381 217 HZ PHE 31 HZ PHE 31 7.095 2.036 3.708 218 H THR 32 H THR 32 3.551 5.474 1.648 219 HA THR 32 HA THR 32 3.102 5.732 4.477 220 HB THR 32 HB THR 32 5.290 5.193 3.461 221 HG1 THR 32 1HG THR 32 5.434 7.653 4.921 222 HG21 THR 32 3HG2 THR 32 5.277 6.661 1.549 223 HG22 THR 32 1HG2 THR 32 6.667 7.036 2.566 224 HG23 THR 32 2HG2 THR 32 5.248 8.087 2.590 225 H LYS 33 H LYS 33 2.549 7.624 1.622 226 HA LYS 33 HA LYS 33 2.195 10.073 3.130 227 HB2 LYS 33 2HB LYS 33 1.988 11.169 1.094 228 HB3 LYS 33 1HB LYS 33 3.136 9.903 0.764 229 HG2 LYS 33 2HG LYS 33 1.859 9.731 -1.066 230 HG3 LYS 33 1HG LYS 33 0.951 8.647 -0.016 231 HD2 LYS 33 2HD LYS 33 -0.482 10.259 -1.265 232 HD3 LYS 33 1HD LYS 33 -0.648 10.368 0.486 233 HE2 LYS 33 2HE LYS 33 -0.531 12.562 -0.739 234 HE3 LYS 33 1HE LYS 33 0.618 12.367 0.577 235 HZ1 LYS 33 3HZ LYS 33 2.337 11.856 -1.038 236 HZ2 LYS 33 1HZ LYS 33 1.640 13.356 -1.379 237 HZ3 LYS 33 2HZ LYS 33 1.233 12.009 -2.309 238 H VAL 34 H VAL 34 0.175 7.572 1.665 239 HA VAL 34 HA VAL 34 -2.243 9.038 2.094 240 HB VAL 34 HB VAL 34 -3.354 7.063 1.298 241 HG11 VAL 34 1HG1 VAL 34 -2.376 8.538 -0.362 242 HG12 VAL 34 2HG1 VAL 34 -2.354 6.862 -0.913 243 HG13 VAL 34 3HG1 VAL 34 -0.878 7.608 -0.305 244 HG21 VAL 34 3HG2 VAL 34 -2.065 5.358 2.440 245 HG22 VAL 34 1HG2 VAL 34 -0.685 5.696 1.395 246 HG23 VAL 34 2HG2 VAL 34 -2.162 5.016 0.713 247 H GLY 35 H GLY 35 -0.209 7.344 4.115 248 HA2 GLY 35 2HA GLY 35 -0.485 7.070 6.408 249 HA3 GLY 35 1HA GLY 35 -2.200 7.391 6.214 250 H LEU 36 H LEU 36 -0.993 5.042 4.052 251 HA LEU 36 HA LEU 36 -2.563 3.014 5.405 252 HB2 LEU 36 2HB LEU 36 -2.467 3.419 2.871 253 HB3 LEU 36 1HB LEU 36 -0.906 2.624 2.923 254 HG LEU 36 HG LEU 36 -2.013 0.603 3.862 255 HD11 LEU 36 1HD1 LEU 36 -3.949 1.703 4.861 256 HD12 LEU 36 2HD1 LEU 36 -4.445 0.434 3.745 257 HD13 LEU 36 3HD1 LEU 36 -4.546 2.125 3.257 258 HD21 LEU 36 3HD2 LEU 36 -3.041 -0.102 1.764 259 HD22 LEU 36 1HD2 LEU 36 -1.550 0.790 1.472 260 HD23 LEU 36 2HD2 LEU 36 -3.109 1.576 1.226 261 H ALA 37 H ALA 37 0.292 4.157 6.062 262 HA ALA 37 HA ALA 37 1.504 1.583 6.716 263 HB1 ALA 37 1HB ALA 37 2.853 3.520 5.860 264 HB2 ALA 37 2HB ALA 37 3.422 2.835 7.384 265 HB3 ALA 37 3HB ALA 37 2.515 4.347 7.380 266 H ALA 38 H ALA 38 -0.558 3.979 8.038 267 HA ALA 38 HA ALA 38 -0.038 3.086 10.794 268 HB1 ALA 38 1HB ALA 38 -1.196 5.121 11.496 269 HB2 ALA 38 2HB ALA 38 -1.494 5.536 9.809 270 HB3 ALA 38 3HB ALA 38 0.156 5.489 10.427 271 H LYS 39 H LYS 39 -1.859 2.158 8.389 272 HA LYS 39 HA LYS 39 -4.519 2.123 9.154 273 HB2 LYS 39 2HB LYS 39 -4.371 -0.250 7.924 274 HB3 LYS 39 1HB LYS 39 -4.292 1.276 7.046 275 HG2 LYS 39 2HG LYS 39 -2.602 -0.317 6.297 276 HG3 LYS 39 1HG LYS 39 -1.875 1.140 6.969 277 HD2 LYS 39 2HD LYS 39 -1.700 -0.175 9.162 278 HD3 LYS 39 1HD LYS 39 -2.055 -1.605 8.193 279 HE2 LYS 39 2HE LYS 39 0.159 0.299 7.512 280 HE3 LYS 39 1HE LYS 39 0.397 -1.064 8.612 281 HZ1 LYS 39 3HZ LYS 39 -0.364 -1.159 5.750 282 HZ2 LYS 39 1HZ LYS 39 -0.419 -2.509 6.772 283 HZ3 LYS 39 2HZ LYS 39 1.054 -1.745 6.460 284 H SER 40 H SER 40 -5.826 0.439 10.037 285 HA SER 40 HA SER 40 -4.497 -1.189 12.077 286 HB2 SER 40 2HB SER 40 -7.455 -0.757 11.545 287 HB3 SER 40 1HB SER 40 -6.758 -1.572 12.944 288 HG SER 40 HG SER 40 -5.934 0.348 13.661 289 HA PRO 41 HA PRO 41 -4.513 -5.072 9.996 290 HB2 PRO 41 2HB PRO 41 -6.676 -5.945 11.874 291 HB3 PRO 41 1HB PRO 41 -5.206 -6.796 11.384 292 HG2 PRO 41 2HG PRO 41 -5.320 -5.565 13.731 293 HG3 PRO 41 1HG PRO 41 -3.845 -5.505 12.750 294 HD2 PRO 41 2HD PRO 41 -5.862 -3.385 13.263 295 HD3 PRO 41 1HD PRO 41 -4.127 -3.238 12.922 296 H ALA 42 H ALA 42 -7.849 -4.139 10.876 297 HA ALA 42 HA ALA 42 -9.115 -5.625 8.848 298 HB1 ALA 42 1HB ALA 42 -11.104 -4.340 9.367 299 HB2 ALA 42 2HB ALA 42 -10.134 -3.152 10.237 300 HB3 ALA 42 3HB ALA 42 -10.268 -4.800 10.850 301 H ASP 43 H ASP 43 -7.641 -2.464 8.813 302 HA ASP 43 HA ASP 43 -8.963 -1.502 6.475 303 HB2 ASP 43 2HB ASP 43 -6.305 -0.656 7.652 304 HB3 ASP 43 1HB ASP 43 -7.189 0.212 6.406 305 H ILE 44 H ILE 44 -5.912 -3.127 7.132 306 HA ILE 44 HA ILE 44 -5.031 -3.093 4.430 307 HB ILE 44 HB ILE 44 -4.136 -4.525 6.902 308 HG12 ILE 44 2HG1 ILE 44 -3.556 -2.172 6.588 309 HG13 ILE 44 1HG1 ILE 44 -2.127 -3.197 6.577 310 HG21 ILE 44 1HG2 ILE 44 -3.794 -6.136 5.076 311 HG22 ILE 44 2HG2 ILE 44 -2.259 -5.508 5.682 312 HG23 ILE 44 3HG2 ILE 44 -2.920 -4.905 4.163 313 HD11 ILE 44 3HD1 ILE 44 -2.166 -3.091 4.088 314 HD12 ILE 44 1HD1 ILE 44 -1.871 -1.545 4.887 315 HD13 ILE 44 2HD1 ILE 44 -3.462 -1.903 4.218 316 H LYS 45 H LYS 45 -7.143 -5.160 6.247 317 HA LYS 45 HA LYS 45 -7.112 -7.391 4.508 318 HB2 LYS 45 2HB LYS 45 -9.337 -6.342 6.266 319 HB3 LYS 45 1HB LYS 45 -9.355 -7.898 5.455 320 HG2 LYS 45 2HG LYS 45 -7.407 -7.015 7.571 321 HG3 LYS 45 1HG LYS 45 -8.739 -8.149 7.781 322 HD2 LYS 45 2HD LYS 45 -6.578 -8.661 5.762 323 HD3 LYS 45 1HD LYS 45 -6.350 -9.072 7.457 324 HE2 LYS 45 2HE LYS 45 -7.108 -11.014 6.273 325 HE3 LYS 45 1HE LYS 45 -8.388 -10.473 7.351 326 HZ1 LYS 45 3HZ LYS 45 -8.282 -9.833 4.456 327 HZ2 LYS 45 1HZ LYS 45 -9.574 -9.562 5.515 328 HZ3 LYS 45 2HZ LYS 45 -9.138 -11.139 5.099 329 H LYS 46 H LYS 46 -9.173 -4.464 4.566 330 HA LYS 46 HA LYS 46 -10.511 -5.218 2.166 331 HB2 LYS 46 2HB LYS 46 -11.479 -3.013 2.155 332 HB3 LYS 46 1HB LYS 46 -11.499 -3.640 3.788 333 HG2 LYS 46 2HG LYS 46 -10.869 -1.480 4.154 334 HG3 LYS 46 1HG LYS 46 -9.295 -2.266 4.041 335 HD2 LYS 46 2HD LYS 46 -9.420 -0.138 2.772 336 HD3 LYS 46 1HD LYS 46 -9.039 -1.528 1.754 337 HE2 LYS 46 2HE LYS 46 -11.247 -1.612 0.890 338 HE3 LYS 46 1HE LYS 46 -11.842 -0.483 2.104 339 HZ1 LYS 46 3HZ LYS 46 -10.611 1.273 1.076 340 HZ2 LYS 46 1HZ LYS 46 -11.549 0.511 -0.105 341 HZ3 LYS 46 2HZ LYS 46 -9.889 0.209 -0.022 342 H VAL 47 H VAL 47 -7.493 -3.766 2.886 343 HA VAL 47 HA VAL 47 -6.961 -2.718 0.307 344 HB VAL 47 HB VAL 47 -5.078 -3.605 2.492 345 HG11 VAL 47 1HG1 VAL 47 -3.327 -2.410 1.272 346 HG12 VAL 47 2HG1 VAL 47 -4.452 -2.109 -0.053 347 HG13 VAL 47 3HG1 VAL 47 -3.956 -3.759 0.326 348 HG21 VAL 47 3HG2 VAL 47 -5.921 -0.865 1.552 349 HG22 VAL 47 1HG2 VAL 47 -4.809 -1.219 2.871 350 HG23 VAL 47 2HG2 VAL 47 -6.509 -1.672 3.005 351 H PHE 48 H PHE 48 -6.498 -5.903 1.806 352 HA PHE 48 HA PHE 48 -5.277 -7.245 -0.289 353 HB2 PHE 48 2HB PHE 48 -5.628 -8.944 1.134 354 HB3 PHE 48 1HB PHE 48 -6.802 -7.990 2.026 355 HD1 PHE 48 2HD PHE 48 -6.562 -10.107 -1.061 356 HD2 PHE 48 1HD PHE 48 -8.969 -8.760 2.180 357 HE1 PHE 48 2HE PHE 48 -8.344 -11.651 -1.748 358 HE2 PHE 48 1HE PHE 48 -10.753 -10.305 1.495 359 HZ PHE 48 HZ PHE 48 -10.445 -11.752 -0.470 360 H GLU 49 H GLU 49 -8.670 -6.408 0.149 361 HA GLU 49 HA GLU 49 -9.618 -7.580 -2.230 362 HB2 GLU 49 2HB GLU 49 -10.716 -5.125 -0.856 363 HB3 GLU 49 1HB GLU 49 -11.582 -6.193 -1.952 364 HG2 GLU 49 2HG GLU 49 -11.249 -8.031 -0.304 365 HG3 GLU 49 1HG GLU 49 -10.581 -6.837 0.807 366 H ILE 50 H ILE 50 -7.937 -4.601 -1.619 367 HA ILE 50 HA ILE 50 -8.621 -3.319 -4.063 368 HB ILE 50 HB ILE 50 -6.167 -2.799 -2.388 369 HG12 ILE 50 2HG1 ILE 50 -8.884 -1.477 -2.256 370 HG13 ILE 50 1HG1 ILE 50 -8.289 -2.647 -1.084 371 HG21 ILE 50 1HG2 ILE 50 -6.262 -1.884 -4.727 372 HG22 ILE 50 2HG2 ILE 50 -6.109 -0.674 -3.457 373 HG23 ILE 50 3HG2 ILE 50 -7.669 -0.948 -4.230 374 HD11 ILE 50 3HD1 ILE 50 -7.192 0.094 -1.648 375 HD12 ILE 50 1HD1 ILE 50 -6.401 -1.093 -0.609 376 HD13 ILE 50 2HD1 ILE 50 -7.994 -0.466 -0.180 377 H ILE 51 H ILE 51 -5.571 -5.068 -3.113 378 HA ILE 51 HA ILE 51 -4.436 -4.682 -5.678 379 HB ILE 51 HB ILE 51 -2.932 -6.715 -5.152 380 HG12 ILE 51 2HG1 ILE 51 -4.647 -7.327 -3.167 381 HG13 ILE 51 1HG1 ILE 51 -2.931 -7.702 -3.087 382 HG21 ILE 51 1HG2 ILE 51 -1.513 -5.363 -3.709 383 HG22 ILE 51 2HG2 ILE 51 -2.853 -4.248 -3.434 384 HG23 ILE 51 3HG2 ILE 51 -2.188 -4.445 -5.055 385 HD11 ILE 51 3HD1 ILE 51 -4.353 -5.399 -1.777 386 HD12 ILE 51 1HD1 ILE 51 -2.599 -5.585 -1.821 387 HD13 ILE 51 2HD1 ILE 51 -3.589 -6.786 -1.000 388 H ASP 52 H ASP 52 -6.454 -7.196 -4.290 389 HA ASP 52 HA ASP 52 -6.296 -8.736 -6.725 390 HB2 ASP 52 2HB ASP 52 -6.752 -9.640 -4.295 391 HB3 ASP 52 1HB ASP 52 -8.416 -9.220 -4.664 392 H GLN 53 H GLN 53 -7.002 -6.788 -7.988 393 HA GLN 53 HA GLN 53 -9.452 -5.538 -7.825 394 HB2 GLN 53 2HB GLN 53 -7.755 -4.794 -9.380 395 HB3 GLN 53 1HB GLN 53 -7.879 -6.289 -10.294 396 HG2 GLN 53 2HG GLN 53 -8.997 -4.509 -11.468 397 HG3 GLN 53 1HG GLN 53 -10.176 -5.699 -10.923 398 HE21 GLN 53 1HE2 GLN 53 -9.012 -2.456 -10.590 399 HE22 GLN 53 2HE2 GLN 53 -10.321 -1.873 -9.624 400 H ASP 54 H ASP 54 -8.676 -8.561 -9.450 401 HA ASP 54 HA ASP 54 -11.401 -8.973 -10.317 402 HB2 ASP 54 2HB ASP 54 -10.645 -10.871 -11.446 403 HB3 ASP 54 1HB ASP 54 -9.250 -9.802 -11.484 404 H LYS 55 H LYS 55 -9.587 -9.764 -7.476 405 HA LYS 55 HA LYS 55 -10.189 -10.720 -5.520 406 HB2 LYS 55 2HB LYS 55 -11.941 -9.103 -5.537 407 HB3 LYS 55 1HB LYS 55 -12.941 -10.097 -6.589 408 HG2 LYS 55 2HG LYS 55 -13.800 -10.205 -4.350 409 HG3 LYS 55 1HG LYS 55 -13.107 -11.773 -4.767 410 HD2 LYS 55 2HD LYS 55 -12.363 -11.364 -2.588 411 HD3 LYS 55 1HD LYS 55 -10.986 -10.937 -3.602 412 HE2 LYS 55 2HE LYS 55 -11.311 -9.275 -1.865 413 HE3 LYS 55 1HE LYS 55 -11.620 -8.574 -3.452 414 HZ1 LYS 55 3HZ LYS 55 -13.924 -8.597 -3.080 415 HZ2 LYS 55 1HZ LYS 55 -13.266 -8.020 -1.631 416 HZ3 LYS 55 2HZ LYS 55 -13.798 -9.620 -1.743 417 H SER 56 H SER 56 -9.236 -12.665 -6.599 418 HA SER 56 HA SER 56 -11.189 -14.860 -6.426 419 HB2 SER 56 2HB SER 56 -8.820 -14.822 -8.305 420 HB3 SER 56 1HB SER 56 -10.060 -16.067 -8.190 421 HG SER 56 HG SER 56 -10.084 -13.726 -9.579 422 H ASP 57 H ASP 57 -9.147 -13.495 -4.643 423 HA ASP 57 HA ASP 57 -7.958 -14.111 -2.813 424 HB2 ASP 57 2HB ASP 57 -9.460 -16.069 -2.662 425 HB3 ASP 57 1HB ASP 57 -8.382 -16.967 -3.722 426 H PHE 58 H PHE 58 -7.061 -14.616 -5.932 427 HA PHE 58 HA PHE 58 -4.231 -14.844 -5.150 428 HB2 PHE 58 2HB PHE 58 -5.522 -15.666 -7.765 429 HB3 PHE 58 1HB PHE 58 -3.789 -15.663 -7.458 430 HD1 PHE 58 2HD PHE 58 -3.268 -16.948 -5.078 431 HD2 PHE 58 1HD PHE 58 -6.468 -17.735 -7.772 432 HE1 PHE 58 2HE PHE 58 -3.418 -19.250 -4.224 433 HE2 PHE 58 1HE PHE 58 -6.621 -20.038 -6.924 434 HZ PHE 58 HZ PHE 58 -5.094 -20.796 -5.150 435 H VAL 59 H VAL 59 -2.911 -13.182 -5.823 436 HA VAL 59 HA VAL 59 -4.267 -11.026 -7.320 437 HB VAL 59 HB VAL 59 -2.279 -10.537 -5.136 438 HG11 VAL 59 1HG1 VAL 59 -2.448 -8.668 -6.461 439 HG12 VAL 59 2HG1 VAL 59 -3.558 -8.361 -5.122 440 HG13 VAL 59 3HG1 VAL 59 -4.184 -8.873 -6.686 441 HG21 VAL 59 3HG2 VAL 59 -4.054 -11.691 -4.041 442 HG22 VAL 59 1HG2 VAL 59 -5.262 -10.745 -4.904 443 HG23 VAL 59 2HG2 VAL 59 -4.234 -9.972 -3.699 444 H GLU 60 H GLU 60 -3.230 -11.628 -9.283 445 HA GLU 60 HA GLU 60 -0.322 -11.748 -9.279 446 HB2 GLU 60 2HB GLU 60 -2.358 -12.275 -11.438 447 HB3 GLU 60 1HB GLU 60 -0.624 -12.310 -11.720 448 HG2 GLU 60 2HG GLU 60 -0.514 -14.019 -9.842 449 HG3 GLU 60 1HG GLU 60 -2.267 -14.127 -9.993 450 H GLU 61 H GLU 61 0.477 -10.762 -11.647 451 HA GLU 61 HA GLU 61 0.779 -8.042 -11.036 452 HB2 GLU 61 2HB GLU 61 2.416 -9.356 -12.335 453 HB3 GLU 61 1HB GLU 61 1.284 -9.406 -13.681 454 HG2 GLU 61 2HG GLU 61 1.334 -6.943 -13.759 455 HG3 GLU 61 1HG GLU 61 2.573 -6.960 -12.505 456 H ASP 62 H ASP 62 -1.362 -9.672 -13.304 457 HA ASP 62 HA ASP 62 -2.304 -7.480 -14.732 458 HB2 ASP 62 2HB ASP 62 -3.546 -10.096 -13.967 459 HB3 ASP 62 1HB ASP 62 -4.494 -8.885 -14.831 460 H GLU 63 H GLU 63 -3.370 -8.760 -11.617 461 HA GLU 63 HA GLU 63 -5.477 -6.907 -11.275 462 HB2 GLU 63 2HB GLU 63 -3.931 -8.622 -9.350 463 HB3 GLU 63 1HB GLU 63 -5.167 -7.496 -8.799 464 HG2 GLU 63 2HG GLU 63 -6.534 -9.237 -9.049 465 HG3 GLU 63 1HG GLU 63 -6.508 -8.784 -10.751 466 H LEU 64 H LEU 64 -2.075 -6.878 -10.349 467 HA LEU 64 HA LEU 64 -2.195 -4.506 -8.818 468 HB2 LEU 64 2HB LEU 64 -0.043 -6.152 -10.012 469 HB3 LEU 64 1HB LEU 64 0.360 -4.490 -9.624 470 HG LEU 64 HG LEU 64 0.950 -6.061 -7.817 471 HD11 LEU 64 1HD1 LEU 64 -1.258 -4.145 -7.078 472 HD12 LEU 64 2HD1 LEU 64 0.432 -3.711 -7.331 473 HD13 LEU 64 3HD1 LEU 64 -0.014 -4.779 -5.999 474 HD21 LEU 64 3HD2 LEU 64 -0.834 -7.080 -6.482 475 HD22 LEU 64 1HD2 LEU 64 -0.827 -7.692 -8.136 476 HD23 LEU 64 2HD2 LEU 64 -2.027 -6.498 -7.641 477 H LYS 65 H LYS 65 -2.227 -5.076 -12.177 478 HA LYS 65 HA LYS 65 -1.315 -2.530 -13.015 479 HB2 LYS 65 2HB LYS 65 -2.376 -4.908 -14.229 480 HB3 LYS 65 1HB LYS 65 -3.213 -3.506 -14.878 481 HG2 LYS 65 2HG LYS 65 -1.292 -4.144 -16.240 482 HG3 LYS 65 1HG LYS 65 -1.109 -2.527 -15.561 483 HD2 LYS 65 2HD LYS 65 0.463 -3.268 -13.966 484 HD3 LYS 65 1HD LYS 65 0.092 -4.969 -14.274 485 HE2 LYS 65 2HE LYS 65 1.000 -4.742 -16.540 486 HE3 LYS 65 1HE LYS 65 1.383 -3.052 -16.218 487 HZ1 LYS 65 3HZ LYS 65 2.867 -3.826 -14.423 488 HZ2 LYS 65 1HZ LYS 65 3.338 -4.381 -15.951 489 HZ3 LYS 65 2HZ LYS 65 2.558 -5.429 -14.882 490 H LEU 66 H LEU 66 -4.548 -3.875 -12.435 491 HA LEU 66 HA LEU 66 -5.658 -1.182 -12.799 492 HB2 LEU 66 2HB LEU 66 -7.111 -3.819 -12.777 493 HB3 LEU 66 1HB LEU 66 -7.776 -2.252 -13.217 494 HG LEU 66 HG LEU 66 -5.686 -3.826 -14.710 495 HD11 LEU 66 1HD1 LEU 66 -8.448 -2.915 -15.489 496 HD12 LEU 66 2HD1 LEU 66 -7.970 -4.563 -15.074 497 HD13 LEU 66 3HD1 LEU 66 -7.312 -3.792 -16.518 498 HD21 LEU 66 3HD2 LEU 66 -6.706 -1.052 -15.305 499 HD22 LEU 66 1HD2 LEU 66 -5.581 -1.987 -16.289 500 HD23 LEU 66 2HD2 LEU 66 -5.101 -1.440 -14.678 501 H PHE 67 H PHE 67 -4.546 -2.882 -10.302 502 HA PHE 67 HA PHE 67 -6.691 -2.864 -8.468 503 HB2 PHE 67 2HB PHE 67 -5.211 -3.614 -6.929 504 HB3 PHE 67 1HB PHE 67 -4.209 -3.885 -8.341 505 HD1 PHE 67 2HD PHE 67 -2.429 -2.177 -8.888 506 HD2 PHE 67 1HD PHE 67 -4.534 -2.202 -5.200 507 HE1 PHE 67 2HE PHE 67 -0.654 -0.816 -7.868 508 HE2 PHE 67 1HE PHE 67 -2.766 -0.843 -4.169 509 HZ PHE 67 HZ PHE 67 -0.820 -0.147 -5.504 510 H LEU 68 H LEU 68 -4.618 -0.413 -9.703 511 HA LEU 68 HA LEU 68 -4.962 1.622 -7.805 512 HB2 LEU 68 2HB LEU 68 -4.758 1.929 -10.807 513 HB3 LEU 68 1HB LEU 68 -4.489 3.192 -9.631 514 HG LEU 68 HG LEU 68 -2.374 2.535 -10.436 515 HD11 LEU 68 1HD1 LEU 68 -1.246 1.681 -8.438 516 HD12 LEU 68 2HD1 LEU 68 -2.811 1.262 -7.744 517 HD13 LEU 68 3HD1 LEU 68 -2.411 2.953 -8.063 518 HD21 LEU 68 3HD2 LEU 68 -2.942 -0.324 -9.706 519 HD22 LEU 68 1HD2 LEU 68 -1.559 0.314 -10.587 520 HD23 LEU 68 2HD2 LEU 68 -3.161 0.321 -11.335 521 H GLN 69 H GLN 69 -6.861 0.650 -10.591 522 HA GLN 69 HA GLN 69 -8.833 2.670 -10.392 523 HB2 GLN 69 2HB GLN 69 -8.935 -0.080 -11.651 524 HB3 GLN 69 1HB GLN 69 -10.157 1.165 -11.872 525 HG2 GLN 69 2HG GLN 69 -8.534 2.609 -12.943 526 HG3 GLN 69 1HG GLN 69 -7.262 1.420 -12.654 527 HE21 GLN 69 1HE2 GLN 69 -6.852 1.356 -14.885 528 HE22 GLN 69 2HE2 GLN 69 -7.885 0.479 -15.964 529 H ASN 70 H ASN 70 -8.190 -0.185 -8.645 530 HA ASN 70 HA ASN 70 -10.879 -0.413 -7.534 531 HB2 ASN 70 2HB ASN 70 -9.285 -2.372 -7.875 532 HB3 ASN 70 1HB ASN 70 -8.351 -1.736 -6.528 533 HD21 ASN 70 1HD2 ASN 70 -9.616 -4.271 -6.740 534 HD22 ASN 70 2HD2 ASN 70 -10.764 -4.389 -5.458 535 H PHE 71 H PHE 71 -7.733 0.856 -6.655 536 HA PHE 71 HA PHE 71 -8.154 1.224 -3.909 537 HB2 PHE 71 2HB PHE 71 -5.988 1.385 -5.428 538 HB3 PHE 71 1HB PHE 71 -6.388 3.098 -5.430 539 HD1 PHE 71 2HD PHE 71 -6.908 4.081 -3.010 540 HD2 PHE 71 1HD PHE 71 -4.582 0.606 -3.800 541 HE1 PHE 71 2HE PHE 71 -5.807 4.322 -0.823 542 HE2 PHE 71 1HE PHE 71 -3.483 0.839 -1.614 543 HZ PHE 71 HZ PHE 71 -4.096 2.701 -0.123 544 H SER 72 H SER 72 -8.492 3.530 -6.608 545 HA SER 72 HA SER 72 -10.242 5.126 -4.874 546 HB2 SER 72 2HB SER 72 -9.227 7.181 -5.938 547 HB3 SER 72 1HB SER 72 -8.157 6.299 -4.849 548 HG SER 72 HG SER 72 -7.195 6.921 -6.889 549 H ALA 73 H ALA 73 -10.934 7.109 -6.685 550 HA ALA 73 HA ALA 73 -12.759 5.647 -8.352 551 HB1 ALA 73 1HB ALA 73 -13.441 7.701 -7.205 552 HB2 ALA 73 2HB ALA 73 -13.652 7.832 -8.951 553 HB3 ALA 73 3HB ALA 73 -12.284 8.619 -8.168 554 H GLY 74 H GLY 74 -9.979 7.760 -8.889 555 HA2 GLY 74 2HA GLY 74 -9.688 6.596 -11.563 556 HA3 GLY 74 1HA GLY 74 -9.766 8.345 -11.416 557 H ALA 75 H ALA 75 -7.823 5.541 -11.071 558 HA ALA 75 HA ALA 75 -5.563 7.225 -10.224 559 HB1 ALA 75 1HB ALA 75 -4.626 5.258 -9.093 560 HB2 ALA 75 2HB ALA 75 -6.086 4.350 -9.497 561 HB3 ALA 75 3HB ALA 75 -6.183 5.743 -8.420 562 H ARG 76 H ARG 76 -3.456 6.422 -10.917 563 HA ARG 76 HA ARG 76 -3.580 5.716 -13.715 564 HB2 ARG 76 2HB ARG 76 -1.260 6.602 -11.995 565 HB3 ARG 76 1HB ARG 76 -1.211 6.395 -13.741 566 HG2 ARG 76 2HG ARG 76 -2.723 8.197 -14.085 567 HG3 ARG 76 1HG ARG 76 -3.064 8.315 -12.359 568 HD2 ARG 76 2HD ARG 76 -0.810 9.048 -11.919 569 HD3 ARG 76 1HD ARG 76 -0.363 8.803 -13.609 570 HE ARG 76 HE ARG 76 -2.473 10.556 -13.664 571 HH11 ARG 76 1HH1 ARG 76 0.700 10.520 -12.194 572 HH12 ARG 76 2HH1 ARG 76 0.888 12.246 -12.262 573 HH21 ARG 76 1HH2 ARG 76 -2.246 12.808 -13.739 574 HH22 ARG 76 2HH2 ARG 76 -0.800 13.553 -13.136 575 H ALA 77 H ALA 77 -3.189 3.730 -14.450 576 HA ALA 77 HA ALA 77 -2.492 1.564 -12.801 577 HB1 ALA 77 1HB ALA 77 -3.736 1.254 -14.868 578 HB2 ALA 77 2HB ALA 77 -2.262 0.281 -14.880 579 HB3 ALA 77 3HB ALA 77 -2.338 1.783 -15.804 580 H LEU 78 H LEU 78 -0.607 0.775 -12.164 581 HA LEU 78 HA LEU 78 1.840 2.118 -12.959 582 HB2 LEU 78 2HB LEU 78 1.663 -0.240 -11.104 583 HB3 LEU 78 1HB LEU 78 2.871 1.028 -11.143 584 HG LEU 78 HG LEU 78 0.013 1.386 -10.239 585 HD11 LEU 78 1HD1 LEU 78 1.277 -0.008 -8.706 586 HD12 LEU 78 2HD1 LEU 78 0.974 1.581 -8.001 587 HD13 LEU 78 3HD1 LEU 78 2.567 1.195 -8.655 588 HD21 LEU 78 3HD2 LEU 78 0.793 3.564 -9.426 589 HD22 LEU 78 1HD2 LEU 78 0.933 3.431 -11.179 590 HD23 LEU 78 2HD2 LEU 78 2.367 3.267 -10.163 591 H SER 79 H SER 79 3.161 1.354 -14.506 592 HA SER 79 HA SER 79 2.973 -1.496 -15.211 593 HB2 SER 79 2HB SER 79 3.245 0.787 -17.179 594 HB3 SER 79 1HB SER 79 3.134 -0.928 -17.574 595 HG SER 79 HG SER 79 1.160 0.782 -17.302 596 H ASP 80 H ASP 80 4.901 -1.843 -16.955 597 HA ASP 80 HA ASP 80 7.128 -2.051 -17.306 598 HB2 ASP 80 2HB ASP 80 7.217 0.688 -16.023 599 HB3 ASP 80 1HB ASP 80 8.595 -0.090 -16.794 600 H ALA 81 H ALA 81 9.164 -0.854 -15.417 601 HA ALA 81 HA ALA 81 9.460 -3.229 -13.926 602 HB1 ALA 81 1HB ALA 81 10.952 -0.644 -13.542 603 HB2 ALA 81 2HB ALA 81 11.347 -1.865 -14.750 604 HB3 ALA 81 3HB ALA 81 11.466 -2.253 -13.035 605 H GLU 82 H GLU 82 7.727 -0.389 -13.275 606 HA GLU 82 HA GLU 82 8.013 -0.132 -10.496 607 HB2 GLU 82 2HB GLU 82 5.420 0.439 -11.893 608 HB3 GLU 82 1HB GLU 82 6.169 1.307 -10.561 609 HG2 GLU 82 2HG GLU 82 7.032 1.298 -13.429 610 HG3 GLU 82 1HG GLU 82 6.270 2.627 -12.554 611 H THR 83 H THR 83 5.540 -1.749 -12.460 612 HA THR 83 HA THR 83 4.140 -2.889 -10.306 613 HB THR 83 HB THR 83 4.332 -4.503 -12.789 614 HG1 THR 83 1HG THR 83 2.801 -2.110 -12.813 615 HG21 THR 83 3HG2 THR 83 1.902 -4.611 -12.473 616 HG22 THR 83 1HG2 THR 83 2.033 -3.489 -11.118 617 HG23 THR 83 2HG2 THR 83 2.770 -5.091 -11.013 618 H LYS 84 H LYS 84 6.956 -3.982 -12.116 619 HA LYS 84 HA LYS 84 7.043 -6.605 -11.123 620 HB2 LYS 84 2HB LYS 84 8.348 -6.213 -13.010 621 HB3 LYS 84 1HB LYS 84 9.087 -4.772 -12.329 622 HG2 LYS 84 2HG LYS 84 10.372 -6.140 -10.787 623 HG3 LYS 84 1HG LYS 84 9.607 -7.596 -11.422 624 HD2 LYS 84 2HD LYS 84 11.044 -5.754 -13.284 625 HD3 LYS 84 1HD LYS 84 11.972 -6.859 -12.271 626 HE2 LYS 84 2HE LYS 84 11.612 -7.912 -14.388 627 HE3 LYS 84 1HE LYS 84 10.622 -8.736 -13.190 628 HZ1 LYS 84 3HZ LYS 84 9.464 -8.333 -15.296 629 HZ2 LYS 84 1HZ LYS 84 9.623 -6.666 -15.069 630 HZ3 LYS 84 2HZ LYS 84 8.692 -7.584 -13.994 631 H VAL 85 H VAL 85 8.900 -3.739 -10.049 632 HA VAL 85 HA VAL 85 10.118 -5.160 -7.907 633 HB VAL 85 HB VAL 85 11.207 -3.225 -8.910 634 HG11 VAL 85 1HG1 VAL 85 10.435 -0.946 -8.445 635 HG12 VAL 85 2HG1 VAL 85 8.980 -1.603 -7.694 636 HG13 VAL 85 3HG1 VAL 85 9.279 -1.861 -9.414 637 HG21 VAL 85 3HG2 VAL 85 10.553 -2.786 -6.000 638 HG22 VAL 85 1HG2 VAL 85 11.917 -2.081 -6.867 639 HG23 VAL 85 2HG2 VAL 85 11.825 -3.828 -6.640 640 H PHE 86 H PHE 86 7.238 -3.170 -8.166 641 HA PHE 86 HA PHE 86 6.796 -3.044 -5.336 642 HB2 PHE 86 2HB PHE 86 5.948 -1.261 -6.683 643 HB3 PHE 86 1HB PHE 86 5.064 -2.364 -7.723 644 HD1 PHE 86 1HD PHE 86 5.280 -1.442 -4.111 645 HD2 PHE 86 2HD PHE 86 2.795 -2.497 -7.399 646 HE1 PHE 86 1HE PHE 86 3.289 -1.087 -2.714 647 HE2 PHE 86 2HE PHE 86 0.798 -2.147 -6.004 648 HZ PHE 86 HZ PHE 86 1.046 -1.440 -3.660 649 H LEU 87 H LEU 87 5.795 -5.144 -7.957 650 HA LEU 87 HA LEU 87 3.897 -6.670 -6.487 651 HB2 LEU 87 2HB LEU 87 4.164 -6.624 -8.997 652 HB3 LEU 87 1HB LEU 87 5.611 -7.588 -8.797 653 HG LEU 87 HG LEU 87 4.121 -9.324 -7.676 654 HD11 LEU 87 1HD1 LEU 87 2.231 -7.620 -7.416 655 HD12 LEU 87 2HD1 LEU 87 1.802 -9.241 -7.958 656 HD13 LEU 87 3HD1 LEU 87 1.904 -7.915 -9.123 657 HD21 LEU 87 3HD2 LEU 87 3.659 -8.671 -10.582 658 HD22 LEU 87 1HD2 LEU 87 3.434 -10.246 -9.820 659 HD23 LEU 87 2HD2 LEU 87 5.047 -9.543 -9.935 660 H LYS 88 H LYS 88 7.352 -7.028 -7.177 661 HA LYS 88 HA LYS 88 7.636 -9.445 -5.738 662 HB2 LYS 88 2HB LYS 88 9.498 -7.496 -6.982 663 HB3 LYS 88 1HB LYS 88 10.156 -8.599 -5.777 664 HG2 LYS 88 2HG LYS 88 8.535 -9.588 -8.094 665 HG3 LYS 88 1HG LYS 88 10.279 -9.325 -8.206 666 HD2 LYS 88 2HD LYS 88 10.645 -10.842 -6.344 667 HD3 LYS 88 1HD LYS 88 8.910 -11.079 -6.169 668 HE2 LYS 88 2HE LYS 88 10.401 -11.734 -8.696 669 HE3 LYS 88 1HE LYS 88 10.161 -12.899 -7.395 670 HZ1 LYS 88 3HZ LYS 88 8.486 -13.084 -9.147 671 HZ2 LYS 88 1HZ LYS 88 7.978 -11.503 -8.845 672 HZ3 LYS 88 2HZ LYS 88 7.788 -12.694 -7.654 673 H ALA 89 H ALA 89 7.460 -6.184 -4.736 674 HA ALA 89 HA ALA 89 8.762 -6.467 -2.237 675 HB1 ALA 89 1HB ALA 89 6.514 -4.601 -2.990 676 HB2 ALA 89 2HB ALA 89 8.234 -4.275 -3.197 677 HB3 ALA 89 3HB ALA 89 7.559 -4.451 -1.579 678 H GLY 90 H GLY 90 5.644 -7.381 -3.450 679 HA2 GLY 90 2HA GLY 90 4.873 -8.315 -0.756 680 HA3 GLY 90 1HA GLY 90 3.737 -7.951 -2.047 681 H ASP 91 H ASP 91 6.246 -9.379 -3.523 682 HA ASP 91 HA ASP 91 5.132 -12.069 -3.202 683 HB2 ASP 91 2HB ASP 91 5.308 -11.113 -5.517 684 HB3 ASP 91 1HB ASP 91 7.056 -11.105 -5.320 685 H SER 92 H SER 92 6.218 -12.413 -1.144 686 HA SER 92 HA SER 92 9.125 -12.081 -1.144 687 HB2 SER 92 2HB SER 92 7.246 -12.757 1.131 688 HB3 SER 92 1HB SER 92 8.965 -12.393 1.283 689 HG SER 92 HG SER 92 7.410 -10.521 -0.056 690 H ASP 93 H ASP 93 6.665 -14.515 -1.163 691 HA ASP 93 HA ASP 93 8.613 -16.627 -0.660 692 HB2 ASP 93 2HB ASP 93 6.771 -18.178 -0.749 693 HB3 ASP 93 1HB ASP 93 6.309 -16.814 0.259 694 H GLY 94 H GLY 94 7.705 -14.772 -3.219 695 HA2 GLY 94 2HA GLY 94 8.528 -14.776 -5.358 696 HA3 GLY 94 1HA GLY 94 9.421 -16.231 -4.951 697 H ASP 95 H ASP 95 5.908 -15.619 -5.028 698 HA ASP 95 HA ASP 95 5.762 -17.860 -6.922 699 HB2 ASP 95 2HB ASP 95 3.634 -18.474 -6.053 700 HB3 ASP 95 1HB ASP 95 4.721 -18.265 -4.691 701 H GLY 96 H GLY 96 5.811 -14.681 -7.064 702 HA2 GLY 96 2HA GLY 96 5.592 -13.551 -9.085 703 HA3 GLY 96 1HA GLY 96 4.638 -14.883 -9.704 704 H LYS 97 H LYS 97 3.842 -13.155 -6.742 705 HA LYS 97 HA LYS 97 1.809 -11.549 -7.988 706 HB2 LYS 97 2HB LYS 97 -0.095 -12.675 -6.958 707 HB3 LYS 97 1HB LYS 97 0.745 -13.766 -8.054 708 HG2 LYS 97 2HG LYS 97 1.798 -14.887 -6.216 709 HG3 LYS 97 1HG LYS 97 1.125 -13.728 -5.065 710 HD2 LYS 97 2HD LYS 97 -0.190 -15.751 -5.012 711 HD3 LYS 97 1HD LYS 97 -1.152 -14.472 -5.756 712 HE2 LYS 97 2HE LYS 97 -1.346 -16.633 -6.938 713 HE3 LYS 97 1HE LYS 97 -0.694 -15.351 -7.958 714 HZ1 LYS 97 3HZ LYS 97 1.124 -17.166 -6.504 715 HZ2 LYS 97 1HZ LYS 97 1.411 -16.280 -7.919 716 HZ3 LYS 97 2HZ LYS 97 0.427 -17.654 -7.970 717 H ILE 98 H ILE 98 0.316 -10.673 -6.163 718 HA ILE 98 HA ILE 98 1.993 -9.992 -3.880 719 HB ILE 98 HB ILE 98 -0.672 -8.939 -4.823 720 HG12 ILE 98 2HG1 ILE 98 1.310 -8.094 -5.973 721 HG13 ILE 98 1HG1 ILE 98 0.553 -6.832 -5.019 722 HG21 ILE 98 1HG2 ILE 98 0.789 -8.331 -2.255 723 HG22 ILE 98 2HG2 ILE 98 -0.823 -9.029 -2.432 724 HG23 ILE 98 3HG2 ILE 98 -0.530 -7.354 -2.906 725 HD11 ILE 98 3HD1 ILE 98 2.903 -6.640 -4.771 726 HD12 ILE 98 1HD1 ILE 98 3.056 -8.349 -4.367 727 HD13 ILE 98 2HD1 ILE 98 2.246 -7.248 -3.254 728 H GLY 99 H GLY 99 1.976 -11.413 -2.262 729 HA2 GLY 99 2HA GLY 99 -0.360 -12.888 -1.498 730 HA3 GLY 99 1HA GLY 99 1.098 -12.665 -0.528 731 H VAL 100 H VAL 100 -1.909 -12.308 0.018 732 HA VAL 100 HA VAL 100 -2.522 -9.619 0.177 733 HB VAL 100 HB VAL 100 -4.189 -10.402 1.882 734 HG11 VAL 100 1HG1 VAL 100 -5.523 -11.551 0.213 735 HG12 VAL 100 2HG1 VAL 100 -4.066 -11.937 -0.704 736 HG13 VAL 100 3HG1 VAL 100 -4.596 -10.258 -0.559 737 HG21 VAL 100 3HG2 VAL 100 -4.516 -12.795 2.164 738 HG22 VAL 100 1HG2 VAL 100 -2.947 -12.294 2.794 739 HG23 VAL 100 2HG2 VAL 100 -3.054 -13.107 1.234 740 H ASP 101 H ASP 101 -1.225 -11.781 2.656 741 HA ASP 101 HA ASP 101 -0.935 -9.629 4.542 742 HB2 ASP 101 2HB ASP 101 -1.479 -11.973 5.179 743 HB3 ASP 101 1HB ASP 101 0.138 -12.452 4.663 744 H GLU 102 H GLU 102 0.960 -11.249 2.142 745 HA GLU 102 HA GLU 102 3.521 -10.313 2.862 746 HB2 GLU 102 2HB GLU 102 2.433 -10.817 0.075 747 HB3 GLU 102 1HB GLU 102 4.131 -10.685 0.512 748 HG2 GLU 102 2HG GLU 102 3.789 -12.698 1.998 749 HG3 GLU 102 1HG GLU 102 2.212 -12.882 1.235 750 H PHE 103 H PHE 103 0.832 -8.871 1.143 751 HA PHE 103 HA PHE 103 2.168 -6.563 0.189 752 HB2 PHE 103 2HB PHE 103 -0.072 -7.424 -0.606 753 HB3 PHE 103 1HB PHE 103 -0.766 -6.796 0.885 754 HD1 PHE 103 2HD PHE 103 0.970 -5.845 -2.225 755 HD2 PHE 103 1HD PHE 103 -1.311 -4.510 1.104 756 HE1 PHE 103 2HE PHE 103 0.697 -3.653 -3.300 757 HE2 PHE 103 1HE PHE 103 -1.596 -2.314 0.029 758 HZ PHE 103 HZ PHE 103 -0.589 -1.882 -2.172 759 H GLY 104 H GLY 104 0.084 -7.112 3.028 760 HA2 GLY 104 2HA GLY 104 0.349 -4.611 4.227 761 HA3 GLY 104 1HA GLY 104 0.125 -6.117 5.109 762 H ALA 105 H ALA 105 2.481 -7.401 4.342 763 HA ALA 105 HA ALA 105 4.302 -6.400 6.249 764 HB1 ALA 105 1HB ALA 105 5.760 -8.198 5.515 765 HB2 ALA 105 2HB ALA 105 4.755 -8.448 4.087 766 HB3 ALA 105 3HB ALA 105 4.100 -8.769 5.693 767 H MET 106 H MET 106 4.030 -5.854 2.778 768 HA MET 106 HA MET 106 6.723 -4.842 2.550 769 HB2 MET 106 2HB MET 106 6.333 -4.532 0.314 770 HB3 MET 106 1HB MET 106 5.111 -5.750 0.645 771 HG2 MET 106 2HG MET 106 3.374 -4.200 0.575 772 HG3 MET 106 1HG MET 106 4.458 -2.833 0.803 773 HE1 MET 106 3HE MET 106 2.768 -5.260 -1.672 774 HE2 MET 106 1HE MET 106 4.407 -5.912 -1.723 775 HE3 MET 106 2HE MET 106 3.738 -5.100 -3.138 776 H ILE 107 H ILE 107 3.616 -3.619 3.357 777 HA ILE 107 HA ILE 107 4.233 -0.848 2.915 778 HB ILE 107 HB ILE 107 1.968 -2.203 4.395 779 HG12 ILE 107 2HG1 ILE 107 2.070 -0.872 1.679 780 HG13 ILE 107 1HG1 ILE 107 2.002 -2.608 1.970 781 HG21 ILE 107 1HG2 ILE 107 2.337 0.015 5.294 782 HG22 ILE 107 2HG2 ILE 107 0.844 -0.039 4.355 783 HG23 ILE 107 3HG2 ILE 107 2.294 0.700 3.669 784 HD11 ILE 107 3HD1 ILE 107 -0.167 -1.713 1.346 785 HD12 ILE 107 1HD1 ILE 107 -0.121 -0.618 2.726 786 HD13 ILE 107 2HD1 ILE 107 -0.191 -2.360 2.986 787 H LYS 108 H LYS 108 4.065 -3.088 5.580 788 HA LYS 108 HA LYS 108 4.829 -1.113 7.530 789 HB2 LYS 108 2HB LYS 108 3.444 -2.702 8.450 790 HB3 LYS 108 1HB LYS 108 4.154 -4.017 7.529 791 HG2 LYS 108 2HG LYS 108 5.786 -2.705 9.645 792 HG3 LYS 108 1HG LYS 108 4.508 -3.831 10.113 793 HD2 LYS 108 2HD LYS 108 5.494 -5.558 8.707 794 HD3 LYS 108 1HD LYS 108 6.747 -4.433 8.181 795 HE2 LYS 108 2HE LYS 108 7.473 -4.235 10.547 796 HE3 LYS 108 1HE LYS 108 6.303 -5.488 10.964 797 HZ1 LYS 108 3HZ LYS 108 8.590 -6.316 10.619 798 HZ2 LYS 108 1HZ LYS 108 8.489 -5.852 8.992 799 HZ3 LYS 108 2HZ LYS 108 7.453 -7.046 9.603 800 H ALA 109 H ALA 109 6.388 -3.496 5.533 801 HA ALA 109 HA ALA 109 8.543 -4.024 5.108 802 HB1 ALA 109 1HB ALA 109 10.144 -2.223 5.087 803 HB2 ALA 109 2HB ALA 109 9.124 -1.257 6.151 804 HB3 ALA 109 3HB ALA 109 8.584 -1.632 4.514 Start of MODEL 14 1 H1 MET 1 1HT MET 1 -14.170 11.849 -0.367 2 H2 MET 1 2HT MET 1 -13.026 12.881 -1.057 3 H3 MET 1 3HT MET 1 -13.220 11.310 -1.665 4 HA MET 1 HA MET 1 -15.216 13.498 -1.775 5 HB2 MET 1 2HB MET 1 -13.448 13.886 -3.365 6 HB3 MET 1 1HB MET 1 -13.486 12.209 -3.893 7 HG2 MET 1 2HG MET 1 -14.543 13.590 -5.543 8 HG3 MET 1 1HG MET 1 -15.753 12.562 -4.780 9 HE1 MET 1 2HE MET 1 -14.360 16.151 -5.262 10 HE2 MET 1 3HE MET 1 -14.062 15.934 -3.538 11 HE3 MET 1 1HE MET 1 -15.273 17.094 -4.084 12 H ALA 2 H ALA 2 -14.407 10.166 -2.784 13 HA ALA 2 HA ALA 2 -17.316 9.659 -2.946 14 HB1 ALA 2 1HB ALA 2 -16.886 8.050 -4.711 15 HB2 ALA 2 2HB ALA 2 -15.154 8.362 -4.597 16 HB3 ALA 2 3HB ALA 2 -16.246 9.633 -5.152 17 H PHE 3 H PHE 3 -14.909 9.175 -0.940 18 HA PHE 3 HA PHE 3 -15.724 6.424 -0.321 19 HB2 PHE 3 2HB PHE 3 -12.983 7.659 -0.040 20 HB3 PHE 3 1HB PHE 3 -13.435 6.107 0.658 21 HD1 PHE 3 1HD PHE 3 -14.008 4.211 -0.817 22 HD2 PHE 3 2HD PHE 3 -12.490 7.876 -2.355 23 HE1 PHE 3 1HE PHE 3 -13.460 3.089 -2.936 24 HE2 PHE 3 2HE PHE 3 -11.940 6.761 -4.478 25 HZ PHE 3 HZ PHE 3 -12.426 4.364 -4.770 26 H ALA 4 H ALA 4 -15.441 5.844 1.973 27 HA ALA 4 HA ALA 4 -16.875 7.802 3.510 28 HB1 ALA 4 1HB ALA 4 -17.491 5.420 3.487 29 HB2 ALA 4 2HB ALA 4 -17.184 6.023 5.115 30 HB3 ALA 4 3HB ALA 4 -15.971 5.038 4.296 31 H GLY 5 H GLY 5 -14.194 8.627 3.028 32 HA2 GLY 5 2HA GLY 5 -12.628 9.798 4.248 33 HA3 GLY 5 1HA GLY 5 -13.473 9.317 5.711 34 H ILE 6 H ILE 6 -13.084 6.425 4.560 35 HA ILE 6 HA ILE 6 -10.914 5.618 6.072 36 HB ILE 6 HB ILE 6 -12.343 4.410 3.738 37 HG12 ILE 6 2HG1 ILE 6 -13.272 4.314 6.032 38 HG13 ILE 6 1HG1 ILE 6 -12.950 2.719 5.364 39 HG21 ILE 6 1HG2 ILE 6 -10.975 2.436 3.743 40 HG22 ILE 6 2HG2 ILE 6 -9.950 3.093 5.020 41 HG23 ILE 6 3HG2 ILE 6 -9.950 3.833 3.416 42 HD11 ILE 6 3HD1 ILE 6 -12.276 2.767 7.662 43 HD12 ILE 6 1HD1 ILE 6 -11.278 4.194 7.386 44 HD13 ILE 6 2HD1 ILE 6 -10.836 2.654 6.651 45 H LEU 7 H LEU 7 -11.015 6.417 2.620 46 HA LEU 7 HA LEU 7 -8.307 7.408 2.942 47 HB2 LEU 7 2HB LEU 7 -7.503 6.534 0.855 48 HB3 LEU 7 1HB LEU 7 -8.022 5.219 1.880 49 HG LEU 7 HG LEU 7 -8.625 4.630 -0.315 50 HD11 LEU 7 1HD1 LEU 7 -11.040 4.469 -0.306 51 HD12 LEU 7 2HD1 LEU 7 -11.123 5.679 0.973 52 HD13 LEU 7 3HD1 LEU 7 -10.360 4.121 1.284 53 HD21 LEU 7 3HD2 LEU 7 -9.884 7.343 -0.638 54 HD22 LEU 7 1HD2 LEU 7 -9.960 6.031 -1.816 55 HD23 LEU 7 2HD2 LEU 7 -8.408 6.764 -1.410 56 H ASN 8 H ASN 8 -7.747 9.073 1.452 57 HA ASN 8 HA ASN 8 -10.142 10.548 0.637 58 HB2 ASN 8 2HB ASN 8 -7.443 11.307 1.599 59 HB3 ASN 8 1HB ASN 8 -8.141 12.341 0.353 60 HD21 ASN 8 1HD2 ASN 8 -8.580 11.058 3.569 61 HD22 ASN 8 2HD2 ASN 8 -9.691 12.267 4.109 62 H ASP 9 H ASP 9 -10.580 10.884 -1.424 63 HA ASP 9 HA ASP 9 -9.225 9.702 -3.545 64 HB2 ASP 9 2HB ASP 9 -11.031 12.133 -3.530 65 HB3 ASP 9 1HB ASP 9 -10.496 11.312 -4.991 66 H ALA 10 H ALA 10 -8.730 12.703 -1.894 67 HA ALA 10 HA ALA 10 -6.994 13.884 -3.824 68 HB1 ALA 10 1HB ALA 10 -6.506 15.512 -2.078 69 HB2 ALA 10 2HB ALA 10 -7.299 14.485 -0.883 70 HB3 ALA 10 3HB ALA 10 -8.240 15.210 -2.185 71 H ASP 11 H ASP 11 -6.432 12.039 -0.812 72 HA ASP 11 HA ASP 11 -3.617 12.530 -0.869 73 HB2 ASP 11 2HB ASP 11 -3.520 11.509 1.190 74 HB3 ASP 11 1HB ASP 11 -5.225 11.930 1.132 75 H ILE 12 H ILE 12 -5.641 9.762 -1.569 76 HA ILE 12 HA ILE 12 -3.630 8.025 -2.448 77 HB ILE 12 HB ILE 12 -6.539 8.203 -2.682 78 HG12 ILE 12 2HG1 ILE 12 -6.378 5.800 -2.167 79 HG13 ILE 12 1HG1 ILE 12 -4.633 5.874 -2.382 80 HG21 ILE 12 1HG2 ILE 12 -6.763 6.538 -4.461 81 HG22 ILE 12 2HG2 ILE 12 -5.031 6.641 -4.770 82 HG23 ILE 12 3HG2 ILE 12 -6.061 8.042 -5.059 83 HD11 ILE 12 3HD1 ILE 12 -4.415 7.306 -0.468 84 HD12 ILE 12 1HD1 ILE 12 -5.336 5.869 -0.026 85 HD13 ILE 12 2HD1 ILE 12 -6.167 7.402 -0.297 86 H THR 13 H THR 13 -5.525 10.424 -4.286 87 HA THR 13 HA THR 13 -4.361 9.893 -6.789 88 HB THR 13 HB THR 13 -5.686 12.379 -5.706 89 HG1 THR 13 1HG THR 13 -7.248 10.940 -6.009 90 HG21 THR 13 3HG2 THR 13 -5.851 13.190 -7.994 91 HG22 THR 13 1HG2 THR 13 -4.913 11.813 -8.572 92 HG23 THR 13 2HG2 THR 13 -4.159 13.017 -7.527 93 H ALA 14 H ALA 14 -3.271 11.860 -4.089 94 HA ALA 14 HA ALA 14 -1.288 13.335 -5.423 95 HB1 ALA 14 1HB ALA 14 -1.998 13.816 -3.124 96 HB2 ALA 14 2HB ALA 14 -0.248 13.622 -3.237 97 HB3 ALA 14 3HB ALA 14 -1.241 12.319 -2.580 98 H ALA 15 H ALA 15 -1.036 10.251 -3.657 99 HA ALA 15 HA ALA 15 1.652 9.738 -4.299 100 HB1 ALA 15 1HB ALA 15 -0.527 7.747 -3.684 101 HB2 ALA 15 2HB ALA 15 0.448 8.606 -2.491 102 HB3 ALA 15 3HB ALA 15 1.211 7.459 -3.591 103 H LEU 16 H LEU 16 -1.341 8.971 -6.004 104 HA LEU 16 HA LEU 16 -0.077 7.273 -7.927 105 HB2 LEU 16 2HB LEU 16 -2.778 8.615 -7.950 106 HB3 LEU 16 1HB LEU 16 -2.246 7.427 -9.124 107 HG LEU 16 HG LEU 16 -2.456 6.878 -6.165 108 HD11 LEU 16 1HD1 LEU 16 -4.656 7.367 -7.037 109 HD12 LEU 16 2HD1 LEU 16 -4.497 5.635 -6.742 110 HD13 LEU 16 3HD1 LEU 16 -4.392 6.263 -8.385 111 HD21 LEU 16 3HD2 LEU 16 -2.332 4.538 -6.869 112 HD22 LEU 16 1HD2 LEU 16 -0.890 5.433 -7.349 113 HD23 LEU 16 2HD2 LEU 16 -2.131 5.051 -8.544 114 H ALA 17 H ALA 17 -0.775 10.695 -7.742 115 HA ALA 17 HA ALA 17 -0.142 11.246 -10.478 116 HB1 ALA 17 1HB ALA 17 -1.516 12.781 -9.154 117 HB2 ALA 17 2HB ALA 17 -0.084 13.590 -9.791 118 HB3 ALA 17 3HB ALA 17 -0.141 13.102 -8.096 119 H ALA 18 H ALA 18 1.666 10.603 -7.642 120 HA ALA 18 HA ALA 18 4.107 11.823 -8.482 121 HB1 ALA 18 1HB ALA 18 5.153 10.501 -6.716 122 HB2 ALA 18 2HB ALA 18 3.665 9.572 -6.523 123 HB3 ALA 18 3HB ALA 18 3.689 11.291 -6.133 124 H CYS 19 H CYS 19 2.610 8.671 -8.861 125 HA CYS 19 HA CYS 19 4.923 7.644 -10.293 126 HB2 CYS 19 2HB CYS 19 3.630 5.551 -10.453 127 HB3 CYS 19 1HB CYS 19 3.781 6.120 -8.796 128 HG CYS 19 HG CYS 19 1.007 7.308 -10.111 129 H LYS 20 H LYS 20 2.997 9.848 -11.227 130 HA LYS 20 HA LYS 20 1.903 8.891 -13.674 131 HB2 LYS 20 2HB LYS 20 1.030 10.899 -12.651 132 HB3 LYS 20 1HB LYS 20 2.610 11.659 -12.692 133 HG2 LYS 20 2HG LYS 20 2.534 11.867 -15.057 134 HG3 LYS 20 1HG LYS 20 1.080 10.875 -15.153 135 HD2 LYS 20 2HD LYS 20 0.600 13.288 -15.388 136 HD3 LYS 20 1HD LYS 20 -0.200 12.566 -13.993 137 HE2 LYS 20 2HE LYS 20 0.690 14.696 -13.350 138 HE3 LYS 20 1HE LYS 20 1.627 13.436 -12.557 139 HZ1 LYS 20 3HZ LYS 20 3.353 13.716 -14.215 140 HZ2 LYS 20 1HZ LYS 20 3.034 15.189 -13.453 141 HZ3 LYS 20 2HZ LYS 20 2.444 14.897 -15.009 142 H ALA 21 H ALA 21 5.007 9.712 -12.563 143 HA ALA 21 HA ALA 21 6.112 9.619 -15.278 144 HB1 ALA 21 1HB ALA 21 7.453 10.352 -12.676 145 HB2 ALA 21 2HB ALA 21 6.872 11.491 -13.890 146 HB3 ALA 21 3HB ALA 21 8.199 10.395 -14.272 147 H GLU 22 H GLU 22 7.625 8.019 -15.815 148 HA GLU 22 HA GLU 22 7.224 5.521 -14.488 149 HB2 GLU 22 2HB GLU 22 9.151 6.280 -16.690 150 HB3 GLU 22 1HB GLU 22 8.821 4.636 -16.161 151 HG2 GLU 22 2HG GLU 22 6.486 4.887 -16.840 152 HG3 GLU 22 1HG GLU 22 6.824 6.532 -17.378 153 H GLY 23 H GLY 23 8.563 4.391 -13.153 154 HA2 GLY 23 2HA GLY 23 10.408 3.968 -11.814 155 HA3 GLY 23 1HA GLY 23 11.243 5.312 -12.581 156 H SER 24 H SER 24 8.091 5.941 -11.380 157 HA SER 24 HA SER 24 9.344 7.462 -9.198 158 HB2 SER 24 2HB SER 24 7.055 8.309 -10.985 159 HB3 SER 24 1HB SER 24 7.655 9.228 -9.600 160 HG SER 24 HG SER 24 9.205 8.468 -11.858 161 H PHE 25 H PHE 25 7.419 4.857 -9.621 162 HA PHE 25 HA PHE 25 5.574 5.504 -7.476 163 HB2 PHE 25 2HB PHE 25 5.144 3.756 -9.374 164 HB3 PHE 25 1HB PHE 25 6.119 2.691 -8.351 165 HD1 PHE 25 2HD PHE 25 5.376 2.207 -6.020 166 HD2 PHE 25 1HD PHE 25 2.887 4.216 -8.821 167 HE1 PHE 25 2HE PHE 25 3.413 1.722 -4.622 168 HE2 PHE 25 1HE PHE 25 0.922 3.739 -7.423 169 HZ PHE 25 HZ PHE 25 1.184 2.489 -5.320 170 H ASP 26 H ASP 26 6.840 6.004 -5.725 171 HA ASP 26 HA ASP 26 8.636 3.977 -4.691 172 HB2 ASP 26 2HB ASP 26 7.663 6.548 -3.426 173 HB3 ASP 26 1HB ASP 26 8.910 5.500 -2.768 174 H HIS 27 H HIS 27 7.411 2.196 -4.285 175 HA HIS 27 HA HIS 27 4.948 1.919 -3.166 176 HB2 HIS 27 2HB HIS 27 5.517 -0.280 -2.569 177 HB3 HIS 27 1HB HIS 27 6.645 0.100 -3.860 178 HD1 HIS 27 1HD HIS 27 9.145 0.235 -3.258 179 HD2 HIS 27 2HD HIS 27 6.671 -0.637 -0.031 180 HE1 HIS 27 1HE HIS 27 10.673 -0.552 -1.423 181 HE2 HIS 27 2HE HIS 27 9.176 -0.868 0.576 182 H LYS 28 H LYS 28 7.855 2.804 -1.551 183 HA LYS 28 HA LYS 28 6.882 2.515 1.108 184 HB2 LYS 28 2HB LYS 28 9.264 2.455 0.313 185 HB3 LYS 28 1HB LYS 28 9.138 4.190 0.044 186 HG2 LYS 28 2HG LYS 28 8.781 4.588 2.397 187 HG3 LYS 28 1HG LYS 28 8.792 2.853 2.718 188 HD2 LYS 28 2HD LYS 28 11.102 2.703 2.001 189 HD3 LYS 28 1HD LYS 28 11.103 4.414 1.568 190 HE2 LYS 28 2HE LYS 28 10.635 3.341 4.346 191 HE3 LYS 28 1HE LYS 28 12.181 3.946 3.751 192 HZ1 LYS 28 3HZ LYS 28 11.041 5.651 4.980 193 HZ2 LYS 28 1HZ LYS 28 9.667 5.505 4.006 194 HZ3 LYS 28 2HZ LYS 28 11.109 6.098 3.353 195 H ALA 29 H ALA 29 7.494 5.298 -1.029 196 HA ALA 29 HA ALA 29 6.535 7.293 0.661 197 HB1 ALA 29 1HB ALA 29 7.782 7.664 -1.473 198 HB2 ALA 29 2HB ALA 29 6.372 8.699 -1.254 199 HB3 ALA 29 3HB ALA 29 6.284 7.311 -2.337 200 H PHE 30 H PHE 30 4.876 5.108 -1.523 201 HA PHE 30 HA PHE 30 2.335 6.273 -1.489 202 HB2 PHE 30 2HB PHE 30 3.002 4.442 -3.009 203 HB3 PHE 30 1HB PHE 30 3.047 3.332 -1.646 204 HD1 PHE 30 1HD PHE 30 0.839 5.394 -3.755 205 HD2 PHE 30 2HD PHE 30 1.069 2.329 -0.815 206 HE1 PHE 30 1HE PHE 30 -1.539 4.880 -4.115 207 HE2 PHE 30 2HE PHE 30 -1.309 1.808 -1.168 208 HZ PHE 30 HZ PHE 30 -2.617 3.084 -2.819 209 H PHE 31 H PHE 31 3.555 3.589 0.556 210 HA PHE 31 HA PHE 31 1.198 3.405 2.086 211 HB2 PHE 31 2HB PHE 31 2.283 1.792 3.382 212 HB3 PHE 31 1HB PHE 31 3.044 1.677 1.823 213 HD1 PHE 31 1HD PHE 31 3.677 3.562 4.981 214 HD2 PHE 31 2HD PHE 31 5.222 1.207 1.807 215 HE1 PHE 31 1HE PHE 31 5.896 3.606 6.040 216 HE2 PHE 31 2HE PHE 31 7.450 1.260 2.845 217 HZ PHE 31 HZ PHE 31 7.791 2.461 4.965 218 H THR 32 H THR 32 4.008 5.340 2.400 219 HA THR 32 HA THR 32 3.442 6.017 5.141 220 HB THR 32 HB THR 32 5.702 5.505 4.113 221 HG1 THR 32 1HG THR 32 4.994 7.074 6.115 222 HG21 THR 32 3HG2 THR 32 5.460 7.036 2.176 223 HG22 THR 32 1HG2 THR 32 6.935 7.317 3.101 224 HG23 THR 32 2HG2 THR 32 5.560 8.411 3.277 225 H LYS 33 H LYS 33 2.772 7.271 2.029 226 HA LYS 33 HA LYS 33 2.295 9.982 2.935 227 HB2 LYS 33 2HB LYS 33 3.170 9.389 0.663 228 HB3 LYS 33 1HB LYS 33 1.598 8.708 0.292 229 HG2 LYS 33 2HG LYS 33 0.552 10.841 0.419 230 HG3 LYS 33 1HG LYS 33 2.017 11.581 1.073 231 HD2 LYS 33 2HD LYS 33 1.814 10.309 -1.661 232 HD3 LYS 33 1HD LYS 33 1.669 12.042 -1.351 233 HE2 LYS 33 2HE LYS 33 3.931 12.070 -0.424 234 HE3 LYS 33 1HE LYS 33 4.077 10.338 -0.703 235 HZ1 LYS 33 3HZ LYS 33 3.899 10.725 -3.068 236 HZ2 LYS 33 1HZ LYS 33 5.170 11.637 -2.427 237 HZ3 LYS 33 2HZ LYS 33 3.706 12.385 -2.818 238 H VAL 34 H VAL 34 0.337 7.249 1.730 239 HA VAL 34 HA VAL 34 -2.137 8.599 2.125 240 HB VAL 34 HB VAL 34 -3.140 6.512 1.508 241 HG11 VAL 34 1HG1 VAL 34 -0.634 6.952 -0.084 242 HG12 VAL 34 2HG1 VAL 34 -2.155 7.821 -0.284 243 HG13 VAL 34 3HG1 VAL 34 -2.071 6.096 -0.642 244 HG21 VAL 34 3HG2 VAL 34 -1.813 4.988 2.867 245 HG22 VAL 34 1HG2 VAL 34 -0.433 5.242 1.800 246 HG23 VAL 34 2HG2 VAL 34 -1.884 4.447 1.190 247 H GLY 35 H GLY 35 -0.072 6.631 4.126 248 HA2 GLY 35 2HA GLY 35 -0.263 6.881 6.511 249 HA3 GLY 35 1HA GLY 35 -2.000 7.013 6.317 250 H LEU 36 H LEU 36 -0.549 4.539 4.449 251 HA LEU 36 HA LEU 36 -2.060 2.540 5.759 252 HB2 LEU 36 2HB LEU 36 -0.059 2.558 3.570 253 HB3 LEU 36 1HB LEU 36 -0.440 1.025 4.331 254 HG LEU 36 HG LEU 36 -2.560 2.835 3.219 255 HD11 LEU 36 1HD1 LEU 36 -2.549 1.391 1.230 256 HD12 LEU 36 2HD1 LEU 36 -1.140 0.540 1.867 257 HD13 LEU 36 3HD1 LEU 36 -1.014 2.241 1.414 258 HD21 LEU 36 3HD2 LEU 36 -3.958 0.924 3.317 259 HD22 LEU 36 1HD2 LEU 36 -3.149 1.041 4.876 260 HD23 LEU 36 2HD2 LEU 36 -2.597 -0.134 3.685 261 H ALA 37 H ALA 37 1.174 3.676 6.215 262 HA ALA 37 HA ALA 37 2.229 1.433 7.563 263 HB1 ALA 37 1HB ALA 37 2.911 4.354 7.861 264 HB2 ALA 37 2HB ALA 37 3.644 3.218 6.733 265 HB3 ALA 37 3HB ALA 37 3.880 3.012 8.469 266 H ALA 38 H ALA 38 0.007 3.909 8.505 267 HA ALA 38 HA ALA 38 0.078 2.959 11.285 268 HB1 ALA 38 1HB ALA 38 0.378 5.374 10.995 269 HB2 ALA 38 2HB ALA 38 -1.112 5.005 11.865 270 HB3 ALA 38 3HB ALA 38 -1.176 5.464 10.164 271 H LYS 39 H LYS 39 -1.570 2.478 8.430 272 HA LYS 39 HA LYS 39 -4.252 2.447 9.255 273 HB2 LYS 39 2HB LYS 39 -2.755 1.131 7.031 274 HB3 LYS 39 1HB LYS 39 -4.442 0.717 7.321 275 HG2 LYS 39 2HG LYS 39 -3.414 3.509 6.839 276 HG3 LYS 39 1HG LYS 39 -4.149 2.473 5.613 277 HD2 LYS 39 2HD LYS 39 -6.150 2.312 7.164 278 HD3 LYS 39 1HD LYS 39 -5.418 3.633 8.078 279 HE2 LYS 39 2HE LYS 39 -5.653 5.137 6.318 280 HE3 LYS 39 1HE LYS 39 -5.860 3.853 5.125 281 HZ1 LYS 39 3HZ LYS 39 -7.804 4.508 7.267 282 HZ2 LYS 39 1HZ LYS 39 -8.000 3.332 6.057 283 HZ3 LYS 39 2HZ LYS 39 -7.946 4.980 5.650 284 H SER 40 H SER 40 -5.591 0.882 9.940 285 HA SER 40 HA SER 40 -4.509 -1.178 11.598 286 HB2 SER 40 2HB SER 40 -6.559 0.059 12.183 287 HB3 SER 40 1HB SER 40 -7.352 -0.563 10.739 288 HG SER 40 HG SER 40 -6.792 -1.821 13.156 289 HA PRO 41 HA PRO 41 -4.298 -4.623 8.779 290 HB2 PRO 41 2HB PRO 41 -5.724 -6.110 10.931 291 HB3 PRO 41 1HB PRO 41 -4.227 -6.516 10.084 292 HG2 PRO 41 2HG PRO 41 -4.163 -5.580 12.573 293 HG3 PRO 41 1HG PRO 41 -2.947 -5.083 11.380 294 HD2 PRO 41 2HD PRO 41 -5.300 -3.581 12.432 295 HD3 PRO 41 1HD PRO 41 -3.692 -2.987 11.975 296 H ALA 42 H ALA 42 -7.295 -3.650 10.270 297 HA ALA 42 HA ALA 42 -9.015 -5.260 8.645 298 HB1 ALA 42 1HB ALA 42 -9.714 -4.358 10.823 299 HB2 ALA 42 2HB ALA 42 -10.812 -3.887 9.528 300 HB3 ALA 42 3HB ALA 42 -9.643 -2.728 10.160 301 H ASP 43 H ASP 43 -7.808 -1.944 8.496 302 HA ASP 43 HA ASP 43 -9.244 -1.239 6.133 303 HB2 ASP 43 2HB ASP 43 -8.457 0.511 7.609 304 HB3 ASP 43 1HB ASP 43 -6.788 -0.026 7.425 305 H ILE 44 H ILE 44 -5.911 -2.258 6.796 306 HA ILE 44 HA ILE 44 -5.061 -2.400 4.133 307 HB ILE 44 HB ILE 44 -4.138 -3.578 6.702 308 HG12 ILE 44 2HG1 ILE 44 -2.712 -2.060 4.514 309 HG13 ILE 44 1HG1 ILE 44 -3.509 -1.313 5.895 310 HG21 ILE 44 1HG2 ILE 44 -3.075 -4.512 4.037 311 HG22 ILE 44 2HG2 ILE 44 -3.915 -5.503 5.229 312 HG23 ILE 44 3HG2 ILE 44 -2.329 -4.827 5.603 313 HD11 ILE 44 3HD1 ILE 44 -1.945 -2.402 7.392 314 HD12 ILE 44 1HD1 ILE 44 -1.097 -1.453 6.171 315 HD13 ILE 44 2HD1 ILE 44 -1.178 -3.209 6.023 316 H LYS 45 H LYS 45 -7.203 -4.428 5.924 317 HA LYS 45 HA LYS 45 -6.993 -6.722 4.226 318 HB2 LYS 45 2HB LYS 45 -7.926 -6.586 6.640 319 HB3 LYS 45 1HB LYS 45 -9.420 -6.067 5.870 320 HG2 LYS 45 2HG LYS 45 -9.542 -8.417 6.257 321 HG3 LYS 45 1HG LYS 45 -9.382 -8.150 4.520 322 HD2 LYS 45 2HD LYS 45 -6.973 -8.621 4.686 323 HD3 LYS 45 1HD LYS 45 -7.161 -8.921 6.415 324 HE2 LYS 45 2HE LYS 45 -8.712 -10.756 5.905 325 HE3 LYS 45 1HE LYS 45 -8.473 -10.458 4.184 326 HZ1 LYS 45 3HZ LYS 45 -6.148 -11.017 4.428 327 HZ2 LYS 45 1HZ LYS 45 -7.103 -12.287 4.999 328 HZ3 LYS 45 2HZ LYS 45 -6.335 -11.249 6.090 329 H LYS 46 H LYS 46 -9.147 -3.872 4.333 330 HA LYS 46 HA LYS 46 -10.623 -4.779 2.049 331 HB2 LYS 46 2HB LYS 46 -11.579 -2.522 1.947 332 HB3 LYS 46 1HB LYS 46 -11.679 -3.196 3.560 333 HG2 LYS 46 2HG LYS 46 -11.027 -1.101 4.087 334 HG3 LYS 46 1HG LYS 46 -9.438 -1.830 3.877 335 HD2 LYS 46 2HD LYS 46 -9.493 0.304 2.756 336 HD3 LYS 46 1HD LYS 46 -9.403 -0.980 1.547 337 HE2 LYS 46 2HE LYS 46 -11.740 -0.764 1.058 338 HE3 LYS 46 1HE LYS 46 -11.976 0.335 2.413 339 HZ1 LYS 46 3HZ LYS 46 -10.529 1.931 1.276 340 HZ2 LYS 46 1HZ LYS 46 -11.900 1.555 0.363 341 HZ3 LYS 46 2HZ LYS 46 -10.402 0.887 -0.044 342 H VAL 47 H VAL 47 -7.681 -3.054 2.590 343 HA VAL 47 HA VAL 47 -7.258 -2.223 -0.078 344 HB VAL 47 HB VAL 47 -5.197 -2.897 2.028 345 HG11 VAL 47 1HG1 VAL 47 -4.196 -2.910 -0.177 346 HG12 VAL 47 2HG1 VAL 47 -3.710 -1.448 0.683 347 HG13 VAL 47 3HG1 VAL 47 -4.956 -1.365 -0.561 348 HG21 VAL 47 3HG2 VAL 47 -6.759 -1.129 2.708 349 HG22 VAL 47 1HG2 VAL 47 -6.390 -0.242 1.230 350 HG23 VAL 47 2HG2 VAL 47 -5.134 -0.497 2.441 351 H PHE 48 H PHE 48 -6.679 -5.258 1.639 352 HA PHE 48 HA PHE 48 -5.403 -6.720 -0.342 353 HB2 PHE 48 2HB PHE 48 -5.670 -8.181 1.359 354 HB3 PHE 48 1HB PHE 48 -7.087 -7.338 1.967 355 HD1 PHE 48 2HD PHE 48 -6.126 -9.607 -0.861 356 HD2 PHE 48 1HD PHE 48 -9.086 -8.463 1.977 357 HE1 PHE 48 2HE PHE 48 -7.567 -11.447 -1.626 358 HE2 PHE 48 1HE PHE 48 -10.529 -10.302 1.214 359 HZ PHE 48 HZ PHE 48 -9.770 -11.795 -0.591 360 H GLU 49 H GLU 49 -8.864 -6.115 0.087 361 HA GLU 49 HA GLU 49 -9.766 -7.440 -2.205 362 HB2 GLU 49 2HB GLU 49 -10.931 -4.952 -0.943 363 HB3 GLU 49 1HB GLU 49 -11.770 -6.051 -2.026 364 HG2 GLU 49 2HG GLU 49 -11.630 -7.824 -0.389 365 HG3 GLU 49 1HG GLU 49 -10.704 -6.780 0.691 366 H ILE 50 H ILE 50 -8.142 -4.406 -1.823 367 HA ILE 50 HA ILE 50 -8.857 -3.381 -4.396 368 HB ILE 50 HB ILE 50 -6.500 -2.508 -2.733 369 HG12 ILE 50 2HG1 ILE 50 -9.340 -1.458 -2.719 370 HG13 ILE 50 1HG1 ILE 50 -8.633 -2.444 -1.444 371 HG21 ILE 50 1HG2 ILE 50 -8.154 -0.890 -4.645 372 HG22 ILE 50 2HG2 ILE 50 -6.770 -1.827 -5.185 373 HG23 ILE 50 3HG2 ILE 50 -6.549 -0.535 -4.007 374 HD11 ILE 50 3HD1 ILE 50 -6.930 -0.656 -1.118 375 HD12 ILE 50 1HD1 ILE 50 -8.585 -0.170 -0.749 376 HD13 ILE 50 2HD1 ILE 50 -7.834 0.334 -2.262 377 H ILE 51 H ILE 51 -5.687 -4.752 -3.191 378 HA ILE 51 HA ILE 51 -4.529 -4.713 -5.782 379 HB ILE 51 HB ILE 51 -2.993 -6.646 -4.921 380 HG12 ILE 51 2HG1 ILE 51 -4.779 -6.822 -2.863 381 HG13 ILE 51 1HG1 ILE 51 -3.099 -7.336 -2.721 382 HG21 ILE 51 1HG2 ILE 51 -2.903 -3.936 -3.595 383 HG22 ILE 51 2HG2 ILE 51 -2.289 -4.341 -5.198 384 HG23 ILE 51 3HG2 ILE 51 -1.557 -5.068 -3.764 385 HD11 ILE 51 3HD1 ILE 51 -3.655 -6.029 -0.812 386 HD12 ILE 51 1HD1 ILE 51 -4.304 -4.727 -1.813 387 HD13 ILE 51 2HD1 ILE 51 -2.573 -5.070 -1.820 388 H ASP 52 H ASP 52 -6.500 -7.028 -4.055 389 HA ASP 52 HA ASP 52 -6.411 -8.899 -6.246 390 HB2 ASP 52 2HB ASP 52 -6.934 -9.342 -3.661 391 HB3 ASP 52 1HB ASP 52 -8.587 -9.017 -4.193 392 H GLN 53 H GLN 53 -7.063 -7.188 -7.839 393 HA GLN 53 HA GLN 53 -9.449 -5.770 -7.808 394 HB2 GLN 53 2HB GLN 53 -7.818 -5.292 -9.491 395 HB3 GLN 53 1HB GLN 53 -7.871 -6.937 -10.104 396 HG2 GLN 53 2HG GLN 53 -9.001 -5.507 -11.643 397 HG3 GLN 53 1HG GLN 53 -10.192 -6.538 -10.857 398 HE21 GLN 53 1HE2 GLN 53 -11.671 -5.620 -9.424 399 HE22 GLN 53 2HE2 GLN 53 -11.940 -3.913 -9.352 400 H ASP 54 H ASP 54 -8.787 -8.992 -8.971 401 HA ASP 54 HA ASP 54 -11.562 -9.527 -9.657 402 HB2 ASP 54 2HB ASP 54 -9.176 -11.380 -9.587 403 HB3 ASP 54 1HB ASP 54 -10.756 -11.786 -10.241 404 H LYS 55 H LYS 55 -9.759 -9.600 -6.850 405 HA LYS 55 HA LYS 55 -9.878 -10.684 -4.849 406 HB2 LYS 55 2HB LYS 55 -12.111 -10.354 -3.776 407 HB3 LYS 55 1HB LYS 55 -11.393 -8.924 -4.495 408 HG2 LYS 55 2HG LYS 55 -12.859 -9.222 -6.458 409 HG3 LYS 55 1HG LYS 55 -13.623 -10.586 -5.637 410 HD2 LYS 55 2HD LYS 55 -14.350 -9.151 -3.843 411 HD3 LYS 55 1HD LYS 55 -13.473 -7.786 -4.541 412 HE2 LYS 55 2HE LYS 55 -15.864 -7.646 -5.032 413 HE3 LYS 55 1HE LYS 55 -14.924 -7.861 -6.507 414 HZ1 LYS 55 3HZ LYS 55 -16.381 -10.011 -5.066 415 HZ2 LYS 55 1HZ LYS 55 -15.498 -10.203 -6.496 416 HZ3 LYS 55 2HZ LYS 55 -16.896 -9.255 -6.489 417 H SER 56 H SER 56 -9.412 -12.754 -6.088 418 HA SER 56 HA SER 56 -11.446 -14.701 -5.252 419 HB2 SER 56 2HB SER 56 -10.633 -16.169 -7.117 420 HB3 SER 56 1HB SER 56 -11.448 -14.701 -7.658 421 HG SER 56 HG SER 56 -9.442 -15.206 -8.759 422 H ASP 57 H ASP 57 -9.225 -13.579 -3.810 423 HA ASP 57 HA ASP 57 -7.940 -14.351 -2.103 424 HB2 ASP 57 2HB ASP 57 -8.212 -17.112 -3.306 425 HB3 ASP 57 1HB ASP 57 -7.528 -16.734 -1.731 426 H PHE 58 H PHE 58 -7.170 -14.350 -5.294 427 HA PHE 58 HA PHE 58 -4.317 -14.571 -4.634 428 HB2 PHE 58 2HB PHE 58 -5.641 -15.566 -7.166 429 HB3 PHE 58 1HB PHE 58 -3.899 -15.429 -6.941 430 HD1 PHE 58 2HD PHE 58 -2.817 -16.783 -5.104 431 HD2 PHE 58 1HD PHE 58 -6.800 -17.462 -6.439 432 HE1 PHE 58 2HE PHE 58 -2.761 -19.034 -4.113 433 HE2 PHE 58 1HE PHE 58 -6.751 -19.714 -5.449 434 HZ PHE 58 HZ PHE 58 -4.729 -20.502 -4.285 435 H VAL 59 H VAL 59 -3.094 -12.906 -5.303 436 HA VAL 59 HA VAL 59 -4.487 -10.765 -6.780 437 HB VAL 59 HB VAL 59 -2.354 -10.534 -4.671 438 HG11 VAL 59 1HG1 VAL 59 -2.468 -8.250 -4.818 439 HG12 VAL 59 2HG1 VAL 59 -3.917 -8.285 -5.823 440 HG13 VAL 59 3HG1 VAL 59 -2.364 -8.802 -6.488 441 HG21 VAL 59 3HG2 VAL 59 -5.279 -9.908 -4.545 442 HG22 VAL 59 1HG2 VAL 59 -4.104 -9.521 -3.291 443 HG23 VAL 59 2HG2 VAL 59 -4.445 -11.204 -3.692 444 H GLU 60 H GLU 60 -3.697 -11.289 -8.851 445 HA GLU 60 HA GLU 60 -0.816 -11.671 -9.150 446 HB2 GLU 60 2HB GLU 60 -3.059 -12.020 -11.138 447 HB3 GLU 60 1HB GLU 60 -1.366 -12.395 -11.439 448 HG2 GLU 60 2HG GLU 60 -1.410 -14.069 -9.669 449 HG3 GLU 60 1HG GLU 60 -3.098 -13.684 -9.339 450 H GLU 61 H GLU 61 0.165 -10.694 -11.238 451 HA GLU 61 HA GLU 61 0.357 -7.945 -10.861 452 HB2 GLU 61 2HB GLU 61 2.155 -9.121 -11.918 453 HB3 GLU 61 1HB GLU 61 1.113 -9.645 -13.234 454 HG2 GLU 61 2HG GLU 61 0.878 -7.302 -13.951 455 HG3 GLU 61 1HG GLU 61 1.986 -6.815 -12.672 456 H ASP 62 H ASP 62 -1.456 -9.719 -13.339 457 HA ASP 62 HA ASP 62 -2.252 -7.542 -14.885 458 HB2 ASP 62 2HB ASP 62 -4.037 -8.986 -15.739 459 HB3 ASP 62 1HB ASP 62 -2.514 -9.860 -15.631 460 H GLU 63 H GLU 63 -3.406 -8.661 -11.830 461 HA GLU 63 HA GLU 63 -5.813 -7.104 -11.834 462 HB2 GLU 63 2HB GLU 63 -4.244 -8.428 -9.629 463 HB3 GLU 63 1HB GLU 63 -5.768 -7.581 -9.373 464 HG2 GLU 63 2HG GLU 63 -6.850 -9.113 -10.949 465 HG3 GLU 63 1HG GLU 63 -5.330 -9.999 -11.099 466 H LEU 64 H LEU 64 -2.571 -6.767 -10.476 467 HA LEU 64 HA LEU 64 -3.041 -4.359 -9.135 468 HB2 LEU 64 2HB LEU 64 -0.622 -5.846 -9.932 469 HB3 LEU 64 1HB LEU 64 -0.435 -4.149 -9.518 470 HG LEU 64 HG LEU 64 -1.995 -5.030 -7.469 471 HD11 LEU 64 1HD1 LEU 64 -0.939 -7.097 -6.637 472 HD12 LEU 64 2HD1 LEU 64 -0.144 -7.282 -8.198 473 HD13 LEU 64 3HD1 LEU 64 -1.902 -7.333 -8.095 474 HD21 LEU 64 3HD2 LEU 64 0.053 -4.935 -6.131 475 HD22 LEU 64 1HD2 LEU 64 -0.072 -3.594 -7.271 476 HD23 LEU 64 2HD2 LEU 64 1.008 -4.948 -7.613 477 H LYS 65 H LYS 65 -2.659 -5.014 -12.453 478 HA LYS 65 HA LYS 65 -1.816 -2.498 -13.323 479 HB2 LYS 65 2HB LYS 65 -3.642 -4.521 -14.600 480 HB3 LYS 65 1HB LYS 65 -3.161 -3.036 -15.409 481 HG2 LYS 65 2HG LYS 65 -1.408 -5.323 -14.559 482 HG3 LYS 65 1HG LYS 65 -1.745 -4.748 -16.194 483 HD2 LYS 65 2HD LYS 65 -0.712 -2.527 -15.406 484 HD3 LYS 65 1HD LYS 65 -0.080 -3.469 -14.055 485 HE2 LYS 65 2HE LYS 65 1.494 -3.202 -15.965 486 HE3 LYS 65 1HE LYS 65 1.171 -4.876 -15.507 487 HZ1 LYS 65 3HZ LYS 65 1.155 -4.498 -17.927 488 HZ2 LYS 65 1HZ LYS 65 -0.158 -3.451 -17.750 489 HZ3 LYS 65 2HZ LYS 65 -0.324 -5.088 -17.358 490 H LEU 66 H LEU 66 -5.154 -3.702 -12.919 491 HA LEU 66 HA LEU 66 -6.040 -0.908 -13.010 492 HB2 LEU 66 2HB LEU 66 -7.636 -3.440 -13.363 493 HB3 LEU 66 1HB LEU 66 -8.310 -1.821 -13.384 494 HG LEU 66 HG LEU 66 -8.112 -2.194 -15.629 495 HD11 LEU 66 1HD1 LEU 66 -6.837 -0.198 -15.156 496 HD12 LEU 66 2HD1 LEU 66 -6.100 -1.074 -16.499 497 HD13 LEU 66 3HD1 LEU 66 -5.378 -1.156 -14.888 498 HD21 LEU 66 3HD2 LEU 66 -5.576 -3.741 -15.127 499 HD22 LEU 66 1HD2 LEU 66 -6.346 -3.499 -16.695 500 HD23 LEU 66 2HD2 LEU 66 -7.169 -4.428 -15.442 501 H PHE 67 H PHE 67 -5.116 -2.950 -10.690 502 HA PHE 67 HA PHE 67 -7.239 -2.954 -8.848 503 HB2 PHE 67 2HB PHE 67 -5.788 -3.888 -7.393 504 HB3 PHE 67 1HB PHE 67 -4.762 -4.018 -8.803 505 HD1 PHE 67 2HD PHE 67 -2.887 -2.372 -9.096 506 HD2 PHE 67 1HD PHE 67 -5.195 -2.568 -5.542 507 HE1 PHE 67 2HE PHE 67 -1.130 -1.148 -7.891 508 HE2 PHE 67 1HE PHE 67 -3.451 -1.340 -4.328 509 HZ PHE 67 HZ PHE 67 -1.411 -0.628 -5.502 510 H LEU 68 H LEU 68 -5.067 -0.487 -9.917 511 HA LEU 68 HA LEU 68 -5.359 1.416 -7.864 512 HB2 LEU 68 2HB LEU 68 -4.994 1.912 -10.821 513 HB3 LEU 68 1HB LEU 68 -4.760 3.093 -9.557 514 HG LEU 68 HG LEU 68 -2.611 2.458 -10.190 515 HD11 LEU 68 1HD1 LEU 68 -2.873 2.512 -7.783 516 HD12 LEU 68 2HD1 LEU 68 -1.679 1.301 -8.255 517 HD13 LEU 68 3HD1 LEU 68 -3.300 0.800 -7.776 518 HD21 LEU 68 3HD2 LEU 68 -3.376 -0.440 -9.971 519 HD22 LEU 68 1HD2 LEU 68 -1.854 0.223 -10.558 520 HD23 LEU 68 2HD2 LEU 68 -3.339 0.463 -11.487 521 H GLN 69 H GLN 69 -7.237 0.777 -10.784 522 HA GLN 69 HA GLN 69 -9.078 2.925 -10.348 523 HB2 GLN 69 2HB GLN 69 -9.333 0.457 -12.084 524 HB3 GLN 69 1HB GLN 69 -10.402 1.853 -12.138 525 HG2 GLN 69 2HG GLN 69 -8.443 3.252 -12.760 526 HG3 GLN 69 1HG GLN 69 -7.481 1.775 -12.851 527 HE21 GLN 69 1HE2 GLN 69 -7.064 2.118 -15.040 528 HE22 GLN 69 2HE2 GLN 69 -8.270 1.851 -16.250 529 H ASN 70 H ASN 70 -8.588 -0.099 -9.003 530 HA ASN 70 HA ASN 70 -11.320 -0.383 -8.012 531 HB2 ASN 70 2HB ASN 70 -9.927 -2.366 -8.655 532 HB3 ASN 70 1HB ASN 70 -8.839 -1.981 -7.328 533 HD21 ASN 70 1HD2 ASN 70 -9.186 -3.908 -6.306 534 HD22 ASN 70 2HD2 ASN 70 -10.670 -4.290 -5.504 535 H PHE 71 H PHE 71 -8.370 1.090 -7.197 536 HA PHE 71 HA PHE 71 -8.870 1.270 -4.345 537 HB2 PHE 71 2HB PHE 71 -6.568 1.210 -5.681 538 HB3 PHE 71 1HB PHE 71 -6.829 2.945 -5.761 539 HD1 PHE 71 2HD PHE 71 -7.917 3.593 -3.139 540 HD2 PHE 71 1HD PHE 71 -4.862 0.831 -4.209 541 HE1 PHE 71 2HE PHE 71 -6.929 3.815 -0.896 542 HE2 PHE 71 1HE PHE 71 -3.874 1.049 -1.968 543 HZ PHE 71 HZ PHE 71 -4.907 2.542 -0.308 544 H SER 72 H SER 72 -8.879 3.334 -7.204 545 HA SER 72 HA SER 72 -10.783 5.142 -5.990 546 HB2 SER 72 2HB SER 72 -9.286 7.131 -6.591 547 HB3 SER 72 1HB SER 72 -8.826 6.208 -5.161 548 HG SER 72 HG SER 72 -7.493 4.984 -6.829 549 H ALA 73 H ALA 73 -11.189 7.022 -7.716 550 HA ALA 73 HA ALA 73 -11.733 5.585 -10.184 551 HB1 ALA 73 1HB ALA 73 -13.515 6.891 -9.113 552 HB2 ALA 73 2HB ALA 73 -13.171 7.455 -10.748 553 HB3 ALA 73 3HB ALA 73 -12.572 8.360 -9.358 554 H GLY 74 H GLY 74 -9.997 8.496 -9.139 555 HA2 GLY 74 2HA GLY 74 -9.063 8.937 -11.876 556 HA3 GLY 74 1HA GLY 74 -8.851 10.033 -10.519 557 H ALA 75 H ALA 75 -7.990 6.657 -11.217 558 HA ALA 75 HA ALA 75 -5.365 7.195 -10.018 559 HB1 ALA 75 1HB ALA 75 -5.234 4.871 -9.496 560 HB2 ALA 75 2HB ALA 75 -6.691 4.525 -10.428 561 HB3 ALA 75 3HB ALA 75 -6.794 5.478 -8.946 562 H ARG 76 H ARG 76 -3.569 5.820 -10.895 563 HA ARG 76 HA ARG 76 -3.693 5.787 -13.820 564 HB2 ARG 76 2HB ARG 76 -1.253 6.216 -12.095 565 HB3 ARG 76 1HB ARG 76 -1.335 6.347 -13.844 566 HG2 ARG 76 2HG ARG 76 -2.653 8.155 -11.834 567 HG3 ARG 76 1HG ARG 76 -1.275 8.537 -12.866 568 HD2 ARG 76 2HD ARG 76 -4.074 7.909 -13.785 569 HD3 ARG 76 1HD ARG 76 -3.312 9.494 -13.763 570 HE ARG 76 HE ARG 76 -1.631 8.027 -15.290 571 HH11 ARG 76 1HH1 ARG 76 -5.082 8.583 -15.390 572 HH12 ARG 76 2HH1 ARG 76 -5.185 8.416 -17.112 573 HH21 ARG 76 1HH2 ARG 76 -1.760 7.809 -17.549 574 HH22 ARG 76 2HH2 ARG 76 -3.292 7.982 -18.345 575 H ALA 77 H ALA 77 -2.929 3.981 -14.895 576 HA ALA 77 HA ALA 77 -2.692 1.574 -13.346 577 HB1 ALA 77 1HB ALA 77 -3.807 1.453 -15.480 578 HB2 ALA 77 2HB ALA 77 -2.346 0.462 -15.535 579 HB3 ALA 77 3HB ALA 77 -2.368 2.050 -16.305 580 H LEU 78 H LEU 78 -0.913 0.855 -12.452 581 HA LEU 78 HA LEU 78 1.667 1.929 -12.946 582 HB2 LEU 78 2HB LEU 78 0.579 -0.358 -11.366 583 HB3 LEU 78 1HB LEU 78 2.303 -0.280 -11.654 584 HG LEU 78 HG LEU 78 2.469 1.825 -10.484 585 HD11 LEU 78 1HD1 LEU 78 0.555 2.868 -9.395 586 HD12 LEU 78 2HD1 LEU 78 -0.518 1.668 -10.114 587 HD13 LEU 78 3HD1 LEU 78 0.336 2.816 -11.145 588 HD21 LEU 78 3HD2 LEU 78 0.805 -0.150 -8.933 589 HD22 LEU 78 1HD2 LEU 78 1.845 1.097 -8.248 590 HD23 LEU 78 2HD2 LEU 78 2.551 -0.231 -9.170 591 H SER 79 H SER 79 2.807 1.563 -14.738 592 HA SER 79 HA SER 79 2.608 -1.107 -15.958 593 HB2 SER 79 2HB SER 79 1.611 0.667 -17.371 594 HB3 SER 79 1HB SER 79 3.153 1.521 -17.366 595 HG SER 79 HG SER 79 3.999 0.063 -18.690 596 H ASP 80 H ASP 80 4.440 -2.141 -16.521 597 HA ASP 80 HA ASP 80 6.619 -2.666 -16.770 598 HB2 ASP 80 2HB ASP 80 7.009 0.321 -16.929 599 HB3 ASP 80 1HB ASP 80 8.244 -0.873 -17.306 600 H ALA 81 H ALA 81 8.046 0.065 -15.368 601 HA ALA 81 HA ALA 81 9.281 -1.650 -13.489 602 HB1 ALA 81 1HB ALA 81 10.533 0.309 -12.774 603 HB2 ALA 81 2HB ALA 81 9.433 1.355 -13.671 604 HB3 ALA 81 3HB ALA 81 10.470 0.220 -14.535 605 H GLU 82 H GLU 82 6.669 0.672 -13.287 606 HA GLU 82 HA GLU 82 6.677 1.042 -10.498 607 HB2 GLU 82 2HB GLU 82 4.096 1.040 -12.009 608 HB3 GLU 82 1HB GLU 82 4.643 2.128 -10.742 609 HG2 GLU 82 2HG GLU 82 5.421 2.102 -13.631 610 HG3 GLU 82 1HG GLU 82 4.565 3.365 -12.745 611 H THR 83 H THR 83 4.891 -1.158 -12.601 612 HA THR 83 HA THR 83 3.492 -2.516 -10.579 613 HB THR 83 HB THR 83 4.276 -4.172 -12.874 614 HG1 THR 83 1HG THR 83 2.548 -2.154 -13.657 615 HG21 THR 83 3HG2 THR 83 1.613 -3.177 -11.851 616 HG22 THR 83 1HG2 THR 83 2.390 -4.695 -11.397 617 HG23 THR 83 2HG2 THR 83 1.850 -4.442 -13.058 618 H LYS 84 H LYS 84 6.498 -3.408 -12.289 619 HA LYS 84 HA LYS 84 6.941 -5.836 -11.022 620 HB2 LYS 84 2HB LYS 84 8.924 -3.868 -12.159 621 HB3 LYS 84 1HB LYS 84 9.312 -5.518 -11.711 622 HG2 LYS 84 2HG LYS 84 7.293 -4.736 -13.792 623 HG3 LYS 84 1HG LYS 84 8.957 -5.222 -14.120 624 HD2 LYS 84 2HD LYS 84 8.515 -7.404 -13.084 625 HD3 LYS 84 1HD LYS 84 6.850 -6.914 -12.773 626 HE2 LYS 84 2HE LYS 84 8.102 -7.087 -15.509 627 HE3 LYS 84 1HE LYS 84 7.116 -8.352 -14.781 628 HZ1 LYS 84 3HZ LYS 84 5.250 -6.845 -14.704 629 HZ2 LYS 84 1HZ LYS 84 5.850 -6.935 -16.287 630 HZ3 LYS 84 2HZ LYS 84 6.196 -5.584 -15.337 631 H VAL 85 H VAL 85 8.362 -2.673 -10.220 632 HA VAL 85 HA VAL 85 9.907 -3.734 -8.083 633 HB VAL 85 HB VAL 85 9.217 -0.861 -8.710 634 HG11 VAL 85 1HG1 VAL 85 11.215 -0.306 -7.418 635 HG12 VAL 85 2HG1 VAL 85 11.429 -2.009 -7.011 636 HG13 VAL 85 3HG1 VAL 85 10.017 -1.131 -6.422 637 HG21 VAL 85 3HG2 VAL 85 11.618 -2.514 -9.489 638 HG22 VAL 85 1HG2 VAL 85 11.362 -0.811 -9.866 639 HG23 VAL 85 2HG2 VAL 85 10.307 -2.040 -10.570 640 H PHE 86 H PHE 86 6.797 -2.066 -8.250 641 HA PHE 86 HA PHE 86 6.468 -1.836 -5.433 642 HB2 PHE 86 2HB PHE 86 5.200 -0.386 -6.845 643 HB3 PHE 86 1HB PHE 86 4.514 -1.734 -7.731 644 HD1 PHE 86 2HD PHE 86 4.675 -0.345 -4.288 645 HD2 PHE 86 1HD PHE 86 2.371 -2.420 -7.191 646 HE1 PHE 86 2HE PHE 86 2.737 -0.286 -2.777 647 HE2 PHE 86 1HE PHE 86 0.422 -2.362 -5.689 648 HZ PHE 86 HZ PHE 86 0.605 -1.291 -3.480 649 H LEU 87 H LEU 87 5.614 -4.295 -7.821 650 HA LEU 87 HA LEU 87 4.219 -6.012 -6.076 651 HB2 LEU 87 2HB LEU 87 5.843 -6.581 -8.550 652 HB3 LEU 87 1HB LEU 87 4.990 -7.833 -7.672 653 HG LEU 87 HG LEU 87 3.653 -5.428 -8.914 654 HD11 LEU 87 1HD1 LEU 87 3.892 -8.256 -9.931 655 HD12 LEU 87 2HD1 LEU 87 4.635 -6.822 -10.642 656 HD13 LEU 87 3HD1 LEU 87 2.879 -6.995 -10.634 657 HD21 LEU 87 3HD2 LEU 87 2.407 -6.385 -7.050 658 HD22 LEU 87 1HD2 LEU 87 2.531 -7.987 -7.776 659 HD23 LEU 87 2HD2 LEU 87 1.607 -6.722 -8.582 660 H LYS 88 H LYS 88 7.636 -5.929 -7.042 661 HA LYS 88 HA LYS 88 8.442 -8.118 -5.476 662 HB2 LYS 88 2HB LYS 88 9.977 -5.833 -6.689 663 HB3 LYS 88 1HB LYS 88 10.764 -7.123 -5.784 664 HG2 LYS 88 2HG LYS 88 9.002 -7.638 -8.159 665 HG3 LYS 88 1HG LYS 88 10.750 -7.399 -8.271 666 HD2 LYS 88 2HD LYS 88 11.101 -9.268 -6.740 667 HD3 LYS 88 1HD LYS 88 9.358 -9.514 -6.634 668 HE2 LYS 88 2HE LYS 88 10.931 -9.666 -9.198 669 HE3 LYS 88 1HE LYS 88 10.524 -11.064 -8.206 670 HZ1 LYS 88 3HZ LYS 88 8.949 -10.775 -10.009 671 HZ2 LYS 88 1HZ LYS 88 8.576 -9.217 -9.472 672 HZ3 LYS 88 2HZ LYS 88 8.176 -10.558 -8.514 673 H ALA 89 H ALA 89 7.753 -4.893 -4.566 674 HA ALA 89 HA ALA 89 9.231 -4.669 -2.202 675 HB1 ALA 89 1HB ALA 89 6.415 -3.712 -2.699 676 HB2 ALA 89 2HB ALA 89 7.881 -2.853 -3.170 677 HB3 ALA 89 3HB ALA 89 7.525 -3.114 -1.463 678 H GLY 90 H GLY 90 6.433 -6.581 -3.003 679 HA2 GLY 90 2HA GLY 90 6.451 -7.663 -0.251 680 HA3 GLY 90 1HA GLY 90 4.992 -7.547 -1.228 681 H ASP 91 H ASP 91 6.055 -8.407 -3.677 682 HA ASP 91 HA ASP 91 5.710 -11.180 -3.502 683 HB2 ASP 91 2HB ASP 91 5.246 -10.120 -5.581 684 HB3 ASP 91 1HB ASP 91 6.852 -9.408 -5.665 685 H SER 92 H SER 92 7.026 -12.360 -2.309 686 HA SER 92 HA SER 92 9.923 -11.949 -2.449 687 HB2 SER 92 2HB SER 92 8.329 -13.708 -0.570 688 HB3 SER 92 1HB SER 92 10.019 -13.231 -0.400 689 HG SER 92 HG SER 92 8.102 -11.204 -0.613 690 H ASP 93 H ASP 93 7.565 -13.700 -3.910 691 HA ASP 93 HA ASP 93 9.020 -16.231 -4.036 692 HB2 ASP 93 2HB ASP 93 6.473 -15.622 -5.517 693 HB3 ASP 93 1HB ASP 93 7.076 -17.180 -4.963 694 H GLY 94 H GLY 94 8.392 -13.396 -5.880 695 HA2 GLY 94 2HA GLY 94 9.465 -12.659 -7.800 696 HA3 GLY 94 1HA GLY 94 10.255 -14.225 -7.939 697 H ASP 95 H ASP 95 6.826 -13.968 -7.490 698 HA ASP 95 HA ASP 95 6.500 -15.175 -10.149 699 HB2 ASP 95 2HB ASP 95 4.520 -16.256 -9.310 700 HB3 ASP 95 1HB ASP 95 5.842 -16.555 -8.192 701 H GLY 96 H GLY 96 6.031 -12.285 -8.555 702 HA2 GLY 96 2HA GLY 96 5.296 -10.333 -9.576 703 HA3 GLY 96 1HA GLY 96 4.654 -11.295 -10.894 704 H LYS 97 H LYS 97 3.757 -11.983 -7.595 705 HA LYS 97 HA LYS 97 1.206 -10.532 -7.983 706 HB2 LYS 97 2HB LYS 97 -0.056 -12.337 -7.094 707 HB3 LYS 97 1HB LYS 97 0.972 -13.030 -8.337 708 HG2 LYS 97 2HG LYS 97 2.273 -14.165 -6.824 709 HG3 LYS 97 1HG LYS 97 1.878 -13.071 -5.490 710 HD2 LYS 97 2HD LYS 97 0.793 -15.248 -5.201 711 HD3 LYS 97 1HD LYS 97 -0.405 -13.980 -5.446 712 HE2 LYS 97 2HE LYS 97 -1.110 -15.817 -6.756 713 HE3 LYS 97 1HE LYS 97 -0.434 -14.641 -7.880 714 HZ1 LYS 97 3HZ LYS 97 1.701 -15.974 -7.687 715 HZ2 LYS 97 1HZ LYS 97 0.422 -16.708 -8.529 716 HZ3 LYS 97 2HZ LYS 97 0.766 -17.176 -6.947 717 H ILE 98 H ILE 98 0.027 -10.361 -5.884 718 HA ILE 98 HA ILE 98 1.962 -9.759 -3.753 719 HB ILE 98 HB ILE 98 -0.563 -8.327 -4.540 720 HG12 ILE 98 2HG1 ILE 98 1.448 -7.646 -5.740 721 HG13 ILE 98 1HG1 ILE 98 0.908 -6.362 -4.659 722 HG21 ILE 98 1HG2 ILE 98 -0.319 -6.916 -2.582 723 HG22 ILE 98 2HG2 ILE 98 1.058 -7.877 -2.046 724 HG23 ILE 98 3HG2 ILE 98 -0.550 -8.601 -2.112 725 HD11 ILE 98 3HD1 ILE 98 3.268 -6.493 -4.499 726 HD12 ILE 98 1HD1 ILE 98 3.223 -8.240 -4.269 727 HD13 ILE 98 2HD1 ILE 98 2.609 -7.168 -3.012 728 H GLY 99 H GLY 99 1.783 -11.592 -2.502 729 HA2 GLY 99 2HA GLY 99 -0.708 -12.492 -1.464 730 HA3 GLY 99 1HA GLY 99 0.869 -12.678 -0.690 731 H VAL 100 H VAL 100 -1.886 -11.674 0.242 732 HA VAL 100 HA VAL 100 -1.718 -8.916 0.690 733 HB VAL 100 HB VAL 100 -3.147 -11.048 2.239 734 HG11 VAL 100 1HG1 VAL 100 -4.546 -9.252 3.139 735 HG12 VAL 100 2HG1 VAL 100 -3.519 -8.061 2.338 736 HG13 VAL 100 3HG1 VAL 100 -2.860 -9.072 3.626 737 HG21 VAL 100 3HG2 VAL 100 -5.091 -10.291 0.952 738 HG22 VAL 100 1HG2 VAL 100 -3.802 -10.908 -0.081 739 HG23 VAL 100 2HG2 VAL 100 -4.049 -9.168 0.074 740 H ASP 101 H ASP 101 -0.614 -11.651 2.614 741 HA ASP 101 HA ASP 101 0.426 -10.231 4.795 742 HB2 ASP 101 2HB ASP 101 0.179 -12.708 4.675 743 HB3 ASP 101 1HB ASP 101 1.539 -12.759 3.557 744 H GLU 102 H GLU 102 1.795 -11.011 1.637 745 HA GLU 102 HA GLU 102 4.363 -9.903 2.046 746 HB2 GLU 102 2HB GLU 102 2.779 -10.183 -0.533 747 HB3 GLU 102 1HB GLU 102 4.500 -9.827 -0.429 748 HG2 GLU 102 2HG GLU 102 4.890 -11.997 0.635 749 HG3 GLU 102 1HG GLU 102 3.169 -12.356 0.525 750 H PHE 103 H PHE 103 1.286 -8.553 1.035 751 HA PHE 103 HA PHE 103 2.258 -6.000 0.267 752 HB2 PHE 103 2HB PHE 103 0.016 -7.063 -0.338 753 HB3 PHE 103 1HB PHE 103 -0.525 -6.595 1.269 754 HD1 PHE 103 1HD PHE 103 0.765 -5.281 -1.931 755 HD2 PHE 103 2HD PHE 103 -1.253 -4.404 1.707 756 HE1 PHE 103 1HE PHE 103 0.181 -3.060 -2.798 757 HE2 PHE 103 2HE PHE 103 -1.839 -2.178 0.845 758 HZ PHE 103 HZ PHE 103 -1.123 -1.501 -1.410 759 H GLY 104 H GLY 104 0.723 -7.213 3.238 760 HA2 GLY 104 2HA GLY 104 0.813 -4.843 4.722 761 HA3 GLY 104 1HA GLY 104 0.849 -6.463 5.406 762 H ALA 105 H ALA 105 3.274 -7.267 4.125 763 HA ALA 105 HA ALA 105 5.176 -6.310 5.989 764 HB1 ALA 105 1HB ALA 105 6.763 -7.707 4.801 765 HB2 ALA 105 2HB ALA 105 5.636 -7.880 3.457 766 HB3 ALA 105 3HB ALA 105 5.240 -8.565 5.033 767 H MET 106 H MET 106 4.524 -5.493 2.589 768 HA MET 106 HA MET 106 6.923 -3.958 2.294 769 HB2 MET 106 2HB MET 106 6.207 -3.398 0.156 770 HB3 MET 106 1HB MET 106 5.455 -4.964 0.410 771 HG2 MET 106 2HG MET 106 3.333 -3.995 0.761 772 HG3 MET 106 1HG MET 106 4.017 -2.380 0.923 773 HE1 MET 106 3HE MET 106 4.557 -5.283 -1.735 774 HE2 MET 106 1HE MET 106 3.539 -4.689 -3.047 775 HE3 MET 106 2HE MET 106 2.808 -5.175 -1.520 776 H ILE 107 H ILE 107 3.777 -3.353 3.539 777 HA ILE 107 HA ILE 107 3.975 -0.475 3.492 778 HB ILE 107 HB ILE 107 2.056 -2.399 4.819 779 HG12 ILE 107 2HG1 ILE 107 1.649 -0.405 2.586 780 HG13 ILE 107 1HG1 ILE 107 1.936 -2.127 2.351 781 HG21 ILE 107 1HG2 ILE 107 0.690 -0.457 5.421 782 HG22 ILE 107 2HG2 ILE 107 1.989 0.607 4.889 783 HG23 ILE 107 3HG2 ILE 107 2.241 -0.471 6.258 784 HD11 ILE 107 3HD1 ILE 107 -0.422 -1.564 2.164 785 HD12 ILE 107 1HD1 ILE 107 -0.406 -0.924 3.805 786 HD13 ILE 107 2HD1 ILE 107 -0.125 -2.642 3.527 787 H LYS 108 H LYS 108 4.653 -3.101 5.613 788 HA LYS 108 HA LYS 108 5.189 -1.345 7.875 789 HB2 LYS 108 2HB LYS 108 3.788 -3.224 8.327 790 HB3 LYS 108 1HB LYS 108 4.903 -4.329 7.547 791 HG2 LYS 108 2HG LYS 108 6.147 -2.941 9.758 792 HG3 LYS 108 1HG LYS 108 4.692 -3.814 10.252 793 HD2 LYS 108 2HD LYS 108 5.543 -5.849 9.229 794 HD3 LYS 108 1HD LYS 108 6.974 -4.985 8.663 795 HE2 LYS 108 2HE LYS 108 7.458 -6.279 10.665 796 HE3 LYS 108 1HE LYS 108 7.630 -4.552 10.971 797 HZ1 LYS 108 3HZ LYS 108 6.473 -5.673 12.770 798 HZ2 LYS 108 1HZ LYS 108 5.275 -6.205 11.704 799 HZ3 LYS 108 2HZ LYS 108 5.457 -4.555 12.015 800 H ALA 109 H ALA 109 6.809 -2.155 5.268 801 HA ALA 109 HA ALA 109 9.263 -3.212 6.022 802 HB1 ALA 109 1HB ALA 109 8.564 -2.868 3.696 803 HB2 ALA 109 2HB ALA 109 10.153 -2.175 4.014 804 HB3 ALA 109 3HB ALA 109 8.739 -1.126 3.908 Start of MODEL 15 1 H1 MET 1 1HT MET 1 -18.900 10.107 -1.107 2 H2 MET 1 2HT MET 1 -18.056 11.457 -0.541 3 H3 MET 1 3HT MET 1 -19.509 11.005 0.191 4 HA MET 1 HA MET 1 -17.593 10.390 1.530 5 HB2 MET 1 2HB MET 1 -19.298 8.209 0.343 6 HB3 MET 1 1HB MET 1 -18.136 7.875 1.617 7 HG2 MET 1 2HG MET 1 -20.365 8.158 2.516 8 HG3 MET 1 1HG MET 1 -19.287 9.427 3.093 9 HE1 MET 1 2HE MET 1 -22.876 11.069 2.809 10 HE2 MET 1 3HE MET 1 -21.562 10.652 3.908 11 HE3 MET 1 1HE MET 1 -22.534 9.378 3.175 12 H ALA 2 H ALA 2 -15.530 9.787 1.576 13 HA ALA 2 HA ALA 2 -14.248 8.836 -0.831 14 HB1 ALA 2 1HB ALA 2 -12.180 8.974 0.473 15 HB2 ALA 2 2HB ALA 2 -13.117 9.301 1.932 16 HB3 ALA 2 3HB ALA 2 -13.116 10.464 0.605 17 H PHE 3 H PHE 3 -15.721 6.928 -0.781 18 HA PHE 3 HA PHE 3 -16.073 4.705 -0.599 19 HB2 PHE 3 2HB PHE 3 -13.310 4.664 0.632 20 HB3 PHE 3 1HB PHE 3 -14.223 3.235 0.158 21 HD1 PHE 3 2HD PHE 3 -14.665 2.782 -2.219 22 HD2 PHE 3 1HD PHE 3 -12.182 6.006 -0.976 23 HE1 PHE 3 2HE PHE 3 -13.749 2.950 -4.496 24 HE2 PHE 3 1HE PHE 3 -11.263 6.181 -3.249 25 HZ PHE 3 HZ PHE 3 -12.046 4.651 -5.012 26 H ALA 4 H ALA 4 -14.179 5.174 2.366 27 HA ALA 4 HA ALA 4 -16.591 5.124 3.981 28 HB1 ALA 4 1HB ALA 4 -15.958 3.232 5.318 29 HB2 ALA 4 2HB ALA 4 -14.456 3.042 4.415 30 HB3 ALA 4 3HB ALA 4 -16.004 2.734 3.627 31 H GLY 5 H GLY 5 -13.779 6.503 3.300 32 HA2 GLY 5 2HA GLY 5 -12.642 8.153 4.467 33 HA3 GLY 5 1HA GLY 5 -13.522 7.694 5.922 34 H ILE 6 H ILE 6 -12.478 4.831 4.971 35 HA ILE 6 HA ILE 6 -10.292 4.613 6.730 36 HB ILE 6 HB ILE 6 -11.088 2.857 4.396 37 HG12 ILE 6 2HG1 ILE 6 -11.589 2.664 7.372 38 HG13 ILE 6 1HG1 ILE 6 -12.789 2.929 6.111 39 HG21 ILE 6 1HG2 ILE 6 -8.715 2.555 4.929 40 HG22 ILE 6 2HG2 ILE 6 -9.664 1.128 5.341 41 HG23 ILE 6 3HG2 ILE 6 -9.138 2.232 6.610 42 HD11 ILE 6 3HD1 ILE 6 -12.874 0.650 6.913 43 HD12 ILE 6 1HD1 ILE 6 -11.166 0.429 6.528 44 HD13 ILE 6 2HD1 ILE 6 -12.336 0.688 5.234 45 H LEU 7 H LEU 7 -10.601 5.507 3.419 46 HA LEU 7 HA LEU 7 -7.778 6.266 3.356 47 HB2 LEU 7 2HB LEU 7 -7.514 5.507 1.089 48 HB3 LEU 7 1HB LEU 7 -8.064 4.152 2.056 49 HG LEU 7 HG LEU 7 -10.052 5.787 0.515 50 HD11 LEU 7 1HD1 LEU 7 -8.262 5.159 -1.059 51 HD12 LEU 7 2HD1 LEU 7 -9.790 4.348 -1.400 52 HD13 LEU 7 3HD1 LEU 7 -8.486 3.471 -0.601 53 HD21 LEU 7 3HD2 LEU 7 -10.882 4.162 2.130 54 HD22 LEU 7 1HD2 LEU 7 -9.943 2.890 1.349 55 HD23 LEU 7 2HD2 LEU 7 -11.269 3.666 0.482 56 H ASN 8 H ASN 8 -7.412 8.184 2.213 57 HA ASN 8 HA ASN 8 -9.823 9.552 1.244 58 HB2 ASN 8 2HB ASN 8 -7.083 10.557 2.013 59 HB3 ASN 8 1HB ASN 8 -8.190 11.540 1.065 60 HD21 ASN 8 1HD2 ASN 8 -9.195 9.334 3.600 61 HD22 ASN 8 2HD2 ASN 8 -9.724 10.553 4.705 62 H ASP 9 H ASP 9 -10.232 9.322 -0.814 63 HA ASP 9 HA ASP 9 -8.638 8.076 -2.706 64 HB2 ASP 9 2HB ASP 9 -10.196 9.010 -4.381 65 HB3 ASP 9 1HB ASP 9 -11.043 8.320 -3.002 66 H ALA 10 H ALA 10 -8.911 11.448 -1.881 67 HA ALA 10 HA ALA 10 -7.416 12.537 -3.998 68 HB1 ALA 10 1HB ALA 10 -7.761 13.557 -1.179 69 HB2 ALA 10 2HB ALA 10 -8.831 13.884 -2.544 70 HB3 ALA 10 3HB ALA 10 -7.177 14.498 -2.554 71 H ASP 11 H ASP 11 -6.430 11.131 -0.906 72 HA ASP 11 HA ASP 11 -3.743 12.046 -1.032 73 HB2 ASP 11 2HB ASP 11 -5.123 9.941 0.596 74 HB3 ASP 11 1HB ASP 11 -3.371 10.084 0.627 75 H ILE 12 H ILE 12 -5.262 8.966 -1.780 76 HA ILE 12 HA ILE 12 -2.972 7.626 -2.662 77 HB ILE 12 HB ILE 12 -5.888 7.339 -3.275 78 HG12 ILE 12 2HG1 ILE 12 -5.489 5.092 -2.179 79 HG13 ILE 12 1HG1 ILE 12 -3.861 5.642 -1.809 80 HG21 ILE 12 1HG2 ILE 12 -5.405 5.278 -4.539 81 HG22 ILE 12 2HG2 ILE 12 -3.681 5.640 -4.443 82 HG23 ILE 12 3HG2 ILE 12 -4.758 6.712 -5.337 83 HD11 ILE 12 3HD1 ILE 12 -4.793 7.463 -0.469 84 HD12 ILE 12 1HD1 ILE 12 -5.310 5.878 0.108 85 HD13 ILE 12 2HD1 ILE 12 -6.419 6.882 -0.827 86 H THR 13 H THR 13 -5.433 9.358 -4.554 87 HA THR 13 HA THR 13 -4.252 9.258 -7.045 88 HB THR 13 HB THR 13 -5.851 11.539 -5.876 89 HG1 THR 13 1HG THR 13 -7.094 9.715 -5.710 90 HG21 THR 13 3HG2 THR 13 -4.731 12.108 -7.992 91 HG22 THR 13 1HG2 THR 13 -6.484 12.021 -8.177 92 HG23 THR 13 2HG2 THR 13 -5.469 10.695 -8.749 93 H ALA 14 H ALA 14 -3.573 11.450 -4.354 94 HA ALA 14 HA ALA 14 -1.908 13.254 -5.747 95 HB1 ALA 14 1HB ALA 14 -1.114 13.947 -3.559 96 HB2 ALA 14 2HB ALA 14 -1.822 12.508 -2.827 97 HB3 ALA 14 3HB ALA 14 -2.865 13.737 -3.540 98 H ALA 15 H ALA 15 -1.215 10.280 -3.946 99 HA ALA 15 HA ALA 15 1.582 10.309 -4.264 100 HB1 ALA 15 1HB ALA 15 -0.242 7.911 -4.069 101 HB2 ALA 15 2HB ALA 15 0.409 8.815 -2.701 102 HB3 ALA 15 3HB ALA 15 1.496 7.928 -3.770 103 H LEU 16 H LEU 16 -1.012 8.964 -6.250 104 HA LEU 16 HA LEU 16 0.576 7.846 -8.278 105 HB2 LEU 16 2HB LEU 16 -2.243 8.832 -8.140 106 HB3 LEU 16 1HB LEU 16 -1.563 8.408 -9.697 107 HG LEU 16 HG LEU 16 -2.881 6.584 -8.756 108 HD11 LEU 16 1HD1 LEU 16 0.066 5.971 -8.835 109 HD12 LEU 16 2HD1 LEU 16 -1.018 6.041 -10.223 110 HD13 LEU 16 3HD1 LEU 16 -1.238 4.795 -8.995 111 HD21 LEU 16 3HD2 LEU 16 -2.161 5.379 -6.784 112 HD22 LEU 16 1HD2 LEU 16 -2.539 7.058 -6.392 113 HD23 LEU 16 2HD2 LEU 16 -0.857 6.540 -6.532 114 H ALA 17 H ALA 17 -0.584 11.115 -7.753 115 HA ALA 17 HA ALA 17 0.067 12.151 -10.297 116 HB1 ALA 17 1HB ALA 17 -1.461 13.271 -8.737 117 HB2 ALA 17 2HB ALA 17 -0.163 14.341 -9.269 118 HB3 ALA 17 3HB ALA 17 -0.104 13.611 -7.664 119 H ALA 18 H ALA 18 1.927 11.680 -7.367 120 HA ALA 18 HA ALA 18 4.213 13.151 -8.380 121 HB1 ALA 18 1HB ALA 18 3.721 13.191 -5.988 122 HB2 ALA 18 2HB ALA 18 5.306 12.485 -6.303 123 HB3 ALA 18 3HB ALA 18 3.941 11.442 -5.911 124 H CYS 19 H CYS 19 2.953 10.092 -8.825 125 HA CYS 19 HA CYS 19 5.599 9.001 -9.492 126 HB2 CYS 19 2HB CYS 19 3.340 7.645 -8.025 127 HB3 CYS 19 1HB CYS 19 4.711 6.780 -8.698 128 HG CYS 19 HG CYS 19 6.030 9.121 -6.933 129 H LYS 20 H LYS 20 3.546 10.244 -11.195 130 HA LYS 20 HA LYS 20 2.433 8.010 -12.649 131 HB2 LYS 20 2HB LYS 20 1.455 9.870 -14.071 132 HB3 LYS 20 1HB LYS 20 0.876 9.728 -12.432 133 HG2 LYS 20 2HG LYS 20 1.115 12.022 -12.842 134 HG3 LYS 20 1HG LYS 20 2.496 11.578 -11.844 135 HD2 LYS 20 2HD LYS 20 3.969 11.645 -13.705 136 HD3 LYS 20 1HD LYS 20 2.628 11.734 -14.848 137 HE2 LYS 20 2HE LYS 20 3.688 13.911 -14.583 138 HE3 LYS 20 1HE LYS 20 2.031 13.939 -13.986 139 HZ1 LYS 20 3HZ LYS 20 4.492 13.759 -12.335 140 HZ2 LYS 20 1HZ LYS 20 2.914 13.688 -11.723 141 HZ3 LYS 20 2HZ LYS 20 3.470 15.096 -12.474 142 H ALA 21 H ALA 21 5.339 9.392 -12.566 143 HA ALA 21 HA ALA 21 5.841 9.279 -15.437 144 HB1 ALA 21 1HB ALA 21 7.695 9.934 -13.148 145 HB2 ALA 21 2HB ALA 21 6.887 11.094 -14.201 146 HB3 ALA 21 3HB ALA 21 8.113 10.012 -14.859 147 H GLU 22 H GLU 22 6.810 7.626 -16.429 148 HA GLU 22 HA GLU 22 6.877 5.097 -15.219 149 HB2 GLU 22 2HB GLU 22 8.065 4.402 -17.332 150 HB3 GLU 22 1HB GLU 22 6.527 5.219 -17.566 151 HG2 GLU 22 2HG GLU 22 7.686 7.288 -18.095 152 HG3 GLU 22 1HG GLU 22 9.238 6.502 -17.815 153 H GLY 23 H GLY 23 8.340 4.103 -14.022 154 HA2 GLY 23 2HA GLY 23 10.421 3.441 -13.264 155 HA3 GLY 23 1HA GLY 23 11.164 4.568 -14.386 156 H SER 24 H SER 24 8.705 5.916 -12.456 157 HA SER 24 HA SER 24 10.706 6.952 -10.563 158 HB2 SER 24 2HB SER 24 8.558 8.612 -11.899 159 HB3 SER 24 1HB SER 24 9.789 9.191 -10.776 160 HG SER 24 HG SER 24 10.599 7.849 -13.099 161 H PHE 25 H PHE 25 8.293 4.978 -10.578 162 HA PHE 25 HA PHE 25 6.512 6.114 -8.638 163 HB2 PHE 25 2HB PHE 25 6.034 4.134 -10.247 164 HB3 PHE 25 1HB PHE 25 6.910 3.162 -9.061 165 HD1 PHE 25 1HD PHE 25 3.879 5.143 -9.665 166 HD2 PHE 25 2HD PHE 25 5.952 2.613 -6.944 167 HE1 PHE 25 1HE PHE 25 1.825 4.892 -8.338 168 HE2 PHE 25 2HE PHE 25 3.897 2.356 -5.615 169 HZ PHE 25 HZ PHE 25 1.831 3.498 -6.310 170 H ASP 26 H ASP 26 6.947 6.384 -6.523 171 HA ASP 26 HA ASP 26 8.896 4.524 -5.330 172 HB2 ASP 26 2HB ASP 26 9.392 6.991 -5.146 173 HB3 ASP 26 1HB ASP 26 7.955 7.136 -4.135 174 H HIS 27 H HIS 27 7.619 2.816 -4.889 175 HA HIS 27 HA HIS 27 5.016 2.837 -3.957 176 HB2 HIS 27 2HB HIS 27 5.447 0.534 -3.115 177 HB3 HIS 27 1HB HIS 27 5.928 0.792 -4.784 178 HD1 HIS 27 1HD HIS 27 8.196 -0.022 -5.358 179 HD2 HIS 27 2HD HIS 27 7.777 0.633 -1.277 180 HE1 HIS 27 1HE HIS 27 10.308 -0.899 -4.309 181 HE2 HIS 27 2HE HIS 27 9.987 -0.586 -1.833 182 H LYS 28 H LYS 28 7.889 3.421 -2.165 183 HA LYS 28 HA LYS 28 6.768 2.911 0.417 184 HB2 LYS 28 2HB LYS 28 9.189 2.885 -0.078 185 HB3 LYS 28 1HB LYS 28 9.117 4.610 -0.418 186 HG2 LYS 28 2HG LYS 28 8.632 5.124 1.859 187 HG3 LYS 28 1HG LYS 28 8.424 3.418 2.255 188 HD2 LYS 28 2HD LYS 28 10.581 4.148 3.040 189 HD3 LYS 28 1HD LYS 28 10.805 3.038 1.689 190 HE2 LYS 28 2HE LYS 28 12.322 4.886 1.445 191 HE3 LYS 28 1HE LYS 28 11.089 4.988 0.192 192 HZ1 LYS 28 3HZ LYS 28 9.944 6.660 1.489 193 HZ2 LYS 28 1HZ LYS 28 11.536 7.139 1.202 194 HZ3 LYS 28 2HZ LYS 28 11.094 6.544 2.720 195 H ALA 29 H ALA 29 7.539 5.891 -1.387 196 HA ALA 29 HA ALA 29 6.348 7.757 0.260 197 HB1 ALA 29 1HB ALA 29 7.637 8.318 -1.761 198 HB2 ALA 29 2HB ALA 29 6.086 9.156 -1.707 199 HB3 ALA 29 3HB ALA 29 6.296 7.754 -2.756 200 H PHE 30 H PHE 30 4.893 5.631 -2.128 201 HA PHE 30 HA PHE 30 2.308 6.611 -2.168 202 HB2 PHE 30 2HB PHE 30 3.091 4.867 -3.682 203 HB3 PHE 30 1HB PHE 30 3.254 3.740 -2.343 204 HD1 PHE 30 2HD PHE 30 0.770 5.731 -4.242 205 HD2 PHE 30 1HD PHE 30 1.466 2.390 -1.700 206 HE1 PHE 30 2HE PHE 30 -1.540 4.972 -4.610 207 HE2 PHE 30 1HE PHE 30 -0.842 1.625 -2.067 208 HZ PHE 30 HZ PHE 30 -2.348 2.917 -3.522 209 H PHE 31 H PHE 31 3.581 4.032 0.013 210 HA PHE 31 HA PHE 31 1.096 3.773 1.367 211 HB2 PHE 31 2HB PHE 31 2.132 2.231 2.823 212 HB3 PHE 31 1HB PHE 31 2.904 2.024 1.284 213 HD1 PHE 31 2HD PHE 31 3.521 3.954 4.416 214 HD2 PHE 31 1HD PHE 31 5.094 1.608 1.242 215 HE1 PHE 31 2HE PHE 31 5.737 4.011 5.479 216 HE2 PHE 31 1HE PHE 31 7.309 1.649 2.303 217 HZ PHE 31 HZ PHE 31 7.634 2.853 4.424 218 H THR 32 H THR 32 3.879 5.741 1.909 219 HA THR 32 HA THR 32 3.101 6.296 4.626 220 HB THR 32 HB THR 32 5.409 5.791 3.925 221 HG1 THR 32 1HG THR 32 6.208 7.116 5.477 222 HG21 THR 32 3HG2 THR 32 5.260 8.530 2.650 223 HG22 THR 32 1HG2 THR 32 5.568 6.988 1.851 224 HG23 THR 32 2HG2 THR 32 6.761 7.657 2.964 225 H LYS 33 H LYS 33 2.731 7.730 1.556 226 HA LYS 33 HA LYS 33 2.278 10.409 2.529 227 HB2 LYS 33 2HB LYS 33 3.258 9.942 0.323 228 HB3 LYS 33 1HB LYS 33 1.770 9.159 -0.171 229 HG2 LYS 33 2HG LYS 33 0.573 11.245 -0.038 230 HG3 LYS 33 1HG LYS 33 2.010 12.059 0.591 231 HD2 LYS 33 2HD LYS 33 1.851 10.699 -2.098 232 HD3 LYS 33 1HD LYS 33 1.643 12.438 -1.842 233 HE2 LYS 33 2HE LYS 33 3.912 12.513 -0.848 234 HE3 LYS 33 1HE LYS 33 4.106 10.804 -1.229 235 HZ1 LYS 33 3HZ LYS 33 5.141 12.177 -2.900 236 HZ2 LYS 33 1HZ LYS 33 3.687 12.989 -3.190 237 HZ3 LYS 33 2HZ LYS 33 3.832 11.348 -3.573 238 H VAL 34 H VAL 34 0.331 7.647 1.478 239 HA VAL 34 HA VAL 34 -2.117 9.119 1.718 240 HB VAL 34 HB VAL 34 -3.177 7.129 0.973 241 HG11 VAL 34 1HG1 VAL 34 -2.073 8.377 -0.756 242 HG12 VAL 34 2HG1 VAL 34 -1.956 6.652 -1.110 243 HG13 VAL 34 3HG1 VAL 34 -0.568 7.514 -0.449 244 HG21 VAL 34 3HG2 VAL 34 -2.021 5.002 0.679 245 HG22 VAL 34 1HG2 VAL 34 -2.032 5.507 2.368 246 HG23 VAL 34 2HG2 VAL 34 -0.572 5.702 1.399 247 H GLY 35 H GLY 35 -0.081 7.472 3.828 248 HA2 GLY 35 2HA GLY 35 -0.336 7.233 6.128 249 HA3 GLY 35 1HA GLY 35 -2.036 7.634 5.955 250 H LEU 36 H LEU 36 -0.471 5.140 4.065 251 HA LEU 36 HA LEU 36 -2.501 3.280 4.924 252 HB2 LEU 36 2HB LEU 36 -1.483 3.629 2.553 253 HB3 LEU 36 1HB LEU 36 -0.204 2.584 3.134 254 HG LEU 36 HG LEU 36 -1.911 0.829 3.602 255 HD11 LEU 36 1HD1 LEU 36 -3.861 2.270 3.851 256 HD12 LEU 36 2HD1 LEU 36 -4.127 1.066 2.593 257 HD13 LEU 36 3HD1 LEU 36 -3.751 2.732 2.153 258 HD21 LEU 36 3HD2 LEU 36 -0.606 0.811 1.540 259 HD22 LEU 36 1HD2 LEU 36 -1.801 1.850 0.764 260 HD23 LEU 36 2HD2 LEU 36 -2.241 0.215 1.256 261 H ALA 37 H ALA 37 0.665 4.050 5.889 262 HA ALA 37 HA ALA 37 1.436 1.392 6.693 263 HB1 ALA 37 1HB ALA 37 2.732 4.037 7.322 264 HB2 ALA 37 2HB ALA 37 3.114 3.002 5.948 265 HB3 ALA 37 3HB ALA 37 3.434 2.442 7.589 266 H ALA 38 H ALA 38 -0.590 3.702 7.980 267 HA ALA 38 HA ALA 38 -0.207 2.646 10.701 268 HB1 ALA 38 1HB ALA 38 -1.585 5.185 9.832 269 HB2 ALA 38 2HB ALA 38 0.025 5.072 10.544 270 HB3 ALA 38 3HB ALA 38 -1.394 4.630 11.495 271 H LYS 39 H LYS 39 -1.596 1.286 8.533 272 HA LYS 39 HA LYS 39 -4.405 1.475 9.312 273 HB2 LYS 39 2HB LYS 39 -3.055 -0.056 7.085 274 HB3 LYS 39 1HB LYS 39 -4.786 -0.087 7.395 275 HG2 LYS 39 2HG LYS 39 -3.096 2.244 6.506 276 HG3 LYS 39 1HG LYS 39 -4.398 1.447 5.621 277 HD2 LYS 39 2HD LYS 39 -6.024 2.249 7.254 278 HD3 LYS 39 1HD LYS 39 -4.732 3.005 8.188 279 HE2 LYS 39 2HE LYS 39 -4.201 4.407 6.204 280 HE3 LYS 39 1HE LYS 39 -5.616 3.727 5.399 281 HZ1 LYS 39 3HZ LYS 39 -6.152 5.840 6.393 282 HZ2 LYS 39 1HZ LYS 39 -5.625 5.313 7.911 283 HZ3 LYS 39 2HZ LYS 39 -6.992 4.614 7.196 284 H SER 40 H SER 40 -5.427 -0.012 10.478 285 HA SER 40 HA SER 40 -3.951 -2.060 11.810 286 HB2 SER 40 2HB SER 40 -6.951 -1.624 11.714 287 HB3 SER 40 1HB SER 40 -6.064 -2.561 12.916 288 HG SER 40 HG SER 40 -4.907 -0.442 13.267 289 HA PRO 41 HA PRO 41 -4.350 -5.712 9.329 290 HB2 PRO 41 2HB PRO 41 -6.197 -6.745 11.445 291 HB3 PRO 41 1HB PRO 41 -4.847 -7.555 10.643 292 HG2 PRO 41 2HG PRO 41 -4.558 -6.556 13.092 293 HG3 PRO 41 1HG PRO 41 -3.252 -6.436 11.902 294 HD2 PRO 41 2HD PRO 41 -5.069 -4.332 12.930 295 HD3 PRO 41 1HD PRO 41 -3.415 -4.192 12.303 296 H ALA 42 H ALA 42 -7.459 -4.836 10.864 297 HA ALA 42 HA ALA 42 -9.134 -5.972 8.928 298 HB1 ALA 42 1HB ALA 42 -9.699 -3.584 10.680 299 HB2 ALA 42 2HB ALA 42 -9.882 -5.272 11.157 300 HB3 ALA 42 3HB ALA 42 -10.895 -4.603 9.878 301 H ASP 43 H ASP 43 -7.861 -2.666 9.185 302 HA ASP 43 HA ASP 43 -9.187 -1.620 6.922 303 HB2 ASP 43 2HB ASP 43 -6.552 -0.760 8.151 304 HB3 ASP 43 1HB ASP 43 -7.504 0.183 7.011 305 H ILE 44 H ILE 44 -6.006 -3.039 7.422 306 HA ILE 44 HA ILE 44 -5.090 -2.804 4.770 307 HB ILE 44 HB ILE 44 -4.310 -4.463 7.124 308 HG12 ILE 44 2HG1 ILE 44 -3.632 -2.140 7.074 309 HG13 ILE 44 1HG1 ILE 44 -2.226 -3.187 6.927 310 HG21 ILE 44 1HG2 ILE 44 -3.056 -4.706 4.391 311 HG22 ILE 44 2HG2 ILE 44 -3.952 -5.964 5.242 312 HG23 ILE 44 3HG2 ILE 44 -2.407 -5.396 5.879 313 HD11 ILE 44 3HD1 ILE 44 -3.563 -1.618 4.740 314 HD12 ILE 44 1HD1 ILE 44 -2.273 -2.792 4.475 315 HD13 ILE 44 2HD1 ILE 44 -1.968 -1.347 5.438 316 H LYS 45 H LYS 45 -7.121 -5.170 6.353 317 HA LYS 45 HA LYS 45 -6.954 -7.201 4.406 318 HB2 LYS 45 2HB LYS 45 -7.954 -7.393 6.727 319 HB3 LYS 45 1HB LYS 45 -9.382 -6.586 6.089 320 HG2 LYS 45 2HG LYS 45 -9.768 -8.943 6.078 321 HG3 LYS 45 1HG LYS 45 -9.590 -8.399 4.410 322 HD2 LYS 45 2HD LYS 45 -7.222 -9.127 4.470 323 HD3 LYS 45 1HD LYS 45 -7.490 -9.761 6.094 324 HE2 LYS 45 2HE LYS 45 -8.862 -10.648 3.564 325 HE3 LYS 45 1HE LYS 45 -7.631 -11.540 4.453 326 HZ1 LYS 45 3HZ LYS 45 -10.374 -10.892 5.377 327 HZ2 LYS 45 1HZ LYS 45 -9.184 -11.589 6.357 328 HZ3 LYS 45 2HZ LYS 45 -9.756 -12.422 5.006 329 H LYS 46 H LYS 46 -9.148 -4.409 4.733 330 HA LYS 46 HA LYS 46 -10.545 -5.091 2.335 331 HB2 LYS 46 2HB LYS 46 -11.682 -2.994 2.528 332 HB3 LYS 46 1HB LYS 46 -11.541 -3.682 4.130 333 HG2 LYS 46 2HG LYS 46 -11.071 -1.485 4.539 334 HG3 LYS 46 1HG LYS 46 -9.449 -2.140 4.317 335 HD2 LYS 46 2HD LYS 46 -9.847 0.024 3.136 336 HD3 LYS 46 1HD LYS 46 -9.348 -1.290 2.070 337 HE2 LYS 46 2HE LYS 46 -11.570 -1.593 1.271 338 HE3 LYS 46 1HE LYS 46 -12.231 -0.536 2.515 339 HZ1 LYS 46 3HZ LYS 46 -12.095 0.505 0.314 340 HZ2 LYS 46 1HZ LYS 46 -10.413 0.351 0.342 341 HZ3 LYS 46 2HZ LYS 46 -11.193 1.336 1.474 342 H VAL 47 H VAL 47 -7.642 -3.369 3.093 343 HA VAL 47 HA VAL 47 -7.253 -2.202 0.538 344 HB VAL 47 HB VAL 47 -5.193 -3.019 2.600 345 HG11 VAL 47 1HG1 VAL 47 -4.927 -1.199 0.207 346 HG12 VAL 47 2HG1 VAL 47 -4.188 -2.790 0.389 347 HG13 VAL 47 3HG1 VAL 47 -3.697 -1.463 1.442 348 HG21 VAL 47 3HG2 VAL 47 -5.203 -0.655 3.216 349 HG22 VAL 47 1HG2 VAL 47 -6.802 -1.368 3.420 350 HG23 VAL 47 2HG2 VAL 47 -6.466 -0.344 2.026 351 H PHE 48 H PHE 48 -6.550 -5.396 1.901 352 HA PHE 48 HA PHE 48 -5.231 -6.548 -0.255 353 HB2 PHE 48 2HB PHE 48 -5.423 -8.283 1.159 354 HB3 PHE 48 1HB PHE 48 -6.755 -7.514 2.007 355 HD1 PHE 48 1HD PHE 48 -6.210 -9.291 -1.265 356 HD2 PHE 48 2HD PHE 48 -8.682 -8.731 2.155 357 HE1 PHE 48 1HE PHE 48 -7.743 -11.026 -2.093 358 HE2 PHE 48 2HE PHE 48 -10.217 -10.461 1.328 359 HZ PHE 48 HZ PHE 48 -9.751 -11.612 -0.795 360 H GLU 49 H GLU 49 -8.699 -6.046 0.219 361 HA GLU 49 HA GLU 49 -9.558 -7.152 -2.210 362 HB2 GLU 49 2HB GLU 49 -10.789 -4.840 -0.694 363 HB3 GLU 49 1HB GLU 49 -11.602 -5.844 -1.887 364 HG2 GLU 49 2HG GLU 49 -11.357 -7.786 -0.438 365 HG3 GLU 49 1HG GLU 49 -10.505 -6.801 0.750 366 H ILE 50 H ILE 50 -8.072 -4.081 -1.487 367 HA ILE 50 HA ILE 50 -8.613 -2.750 -3.891 368 HB ILE 50 HB ILE 50 -6.373 -2.557 -1.903 369 HG12 ILE 50 2HG1 ILE 50 -7.458 -0.776 -1.045 370 HG13 ILE 50 1HG1 ILE 50 -8.047 -0.216 -2.604 371 HG21 ILE 50 1HG2 ILE 50 -5.304 -2.038 -3.959 372 HG22 ILE 50 2HG2 ILE 50 -5.595 -0.529 -3.094 373 HG23 ILE 50 3HG2 ILE 50 -6.631 -0.984 -4.447 374 HD11 ILE 50 3HD1 ILE 50 -9.838 -1.811 -2.519 375 HD12 ILE 50 1HD1 ILE 50 -9.817 -0.877 -1.023 376 HD13 ILE 50 2HD1 ILE 50 -9.174 -2.523 -1.047 377 H ILE 51 H ILE 51 -5.713 -4.740 -3.056 378 HA ILE 51 HA ILE 51 -4.722 -4.552 -5.735 379 HB ILE 51 HB ILE 51 -3.195 -6.565 -5.074 380 HG12 ILE 51 2HG1 ILE 51 -4.674 -6.980 -2.922 381 HG13 ILE 51 1HG1 ILE 51 -2.926 -7.136 -2.823 382 HG21 ILE 51 1HG2 ILE 51 -2.379 -4.347 -5.375 383 HG22 ILE 51 2HG2 ILE 51 -1.642 -5.038 -3.924 384 HG23 ILE 51 3HG2 ILE 51 -2.947 -3.855 -3.777 385 HD11 ILE 51 3HD1 ILE 51 -2.966 -4.688 -2.028 386 HD12 ILE 51 1HD1 ILE 51 -3.477 -5.958 -0.918 387 HD13 ILE 51 2HD1 ILE 51 -4.684 -4.971 -1.737 388 H ASP 52 H ASP 52 -6.808 -6.738 -4.014 389 HA ASP 52 HA ASP 52 -6.907 -8.621 -6.200 390 HB2 ASP 52 2HB ASP 52 -7.453 -9.115 -3.700 391 HB3 ASP 52 1HB ASP 52 -9.013 -8.387 -4.050 392 H GLN 53 H GLN 53 -7.287 -6.714 -7.724 393 HA GLN 53 HA GLN 53 -9.664 -5.156 -7.524 394 HB2 GLN 53 2HB GLN 53 -7.589 -4.414 -8.670 395 HB3 GLN 53 1HB GLN 53 -7.874 -5.608 -9.922 396 HG2 GLN 53 2HG GLN 53 -9.978 -3.583 -9.342 397 HG3 GLN 53 1HG GLN 53 -8.551 -3.107 -10.257 398 HE21 GLN 53 1HE2 GLN 53 -8.257 -5.696 -11.550 399 HE22 GLN 53 2HE2 GLN 53 -9.519 -5.794 -12.727 400 H ASP 54 H ASP 54 -8.815 -8.096 -9.106 401 HA ASP 54 HA ASP 54 -11.316 -8.332 -10.556 402 HB2 ASP 54 2HB ASP 54 -9.465 -9.218 -11.716 403 HB3 ASP 54 1HB ASP 54 -8.832 -10.014 -10.283 404 H LYS 55 H LYS 55 -10.129 -9.040 -7.436 405 HA LYS 55 HA LYS 55 -11.191 -9.814 -5.586 406 HB2 LYS 55 2HB LYS 55 -13.174 -8.606 -7.261 407 HB3 LYS 55 1HB LYS 55 -13.897 -9.938 -6.373 408 HG2 LYS 55 2HG LYS 55 -12.329 -7.695 -5.122 409 HG3 LYS 55 1HG LYS 55 -14.090 -7.767 -5.222 410 HD2 LYS 55 2HD LYS 55 -14.087 -9.829 -3.916 411 HD3 LYS 55 1HD LYS 55 -12.326 -9.785 -3.834 412 HE2 LYS 55 2HE LYS 55 -12.409 -7.706 -2.597 413 HE3 LYS 55 1HE LYS 55 -14.164 -7.661 -2.745 414 HZ1 LYS 55 3HZ LYS 55 -12.613 -9.743 -1.305 415 HZ2 LYS 55 1HZ LYS 55 -14.297 -9.678 -1.438 416 HZ3 LYS 55 2HZ LYS 55 -13.472 -8.474 -0.581 417 H SER 56 H SER 56 -10.102 -11.919 -6.313 418 HA SER 56 HA SER 56 -12.152 -14.009 -6.349 419 HB2 SER 56 2HB SER 56 -9.712 -14.166 -8.125 420 HB3 SER 56 1HB SER 56 -11.096 -15.256 -8.096 421 HG SER 56 HG SER 56 -10.772 -13.016 -9.525 422 H ASP 57 H ASP 57 -10.230 -12.820 -4.389 423 HA ASP 57 HA ASP 57 -9.214 -13.592 -2.512 424 HB2 ASP 57 2HB ASP 57 -9.854 -16.289 -3.698 425 HB3 ASP 57 1HB ASP 57 -8.978 -16.112 -2.183 426 H PHE 58 H PHE 58 -8.001 -13.907 -5.561 427 HA PHE 58 HA PHE 58 -5.291 -14.200 -4.468 428 HB2 PHE 58 2HB PHE 58 -6.312 -15.369 -7.067 429 HB3 PHE 58 1HB PHE 58 -4.606 -15.253 -6.645 430 HD1 PHE 58 2HD PHE 58 -3.679 -16.619 -4.844 431 HD2 PHE 58 1HD PHE 58 -7.732 -17.019 -6.077 432 HE1 PHE 58 2HE PHE 58 -3.821 -18.781 -3.674 433 HE2 PHE 58 1HE PHE 58 -7.878 -19.174 -4.907 434 HZ PHE 58 HZ PHE 58 -5.924 -20.060 -3.705 435 H VAL 59 H VAL 59 -3.830 -12.732 -5.210 436 HA VAL 59 HA VAL 59 -5.017 -10.514 -6.746 437 HB VAL 59 HB VAL 59 -2.929 -10.488 -4.583 438 HG11 VAL 59 1HG1 VAL 59 -2.769 -8.197 -4.756 439 HG12 VAL 59 2HG1 VAL 59 -4.131 -8.101 -5.875 440 HG13 VAL 59 3HG1 VAL 59 -2.603 -8.814 -6.399 441 HG21 VAL 59 3HG2 VAL 59 -4.586 -9.265 -3.283 442 HG22 VAL 59 1HG2 VAL 59 -5.164 -10.870 -3.730 443 HG23 VAL 59 2HG2 VAL 59 -5.740 -9.450 -4.603 444 H GLU 60 H GLU 60 -4.281 -10.977 -8.814 445 HA GLU 60 HA GLU 60 -1.501 -11.807 -9.156 446 HB2 GLU 60 2HB GLU 60 -3.798 -11.728 -11.109 447 HB3 GLU 60 1HB GLU 60 -2.188 -12.343 -11.468 448 HG2 GLU 60 2HG GLU 60 -2.441 -14.079 -9.808 449 HG3 GLU 60 1HG GLU 60 -4.011 -13.432 -9.335 450 H GLU 61 H GLU 61 -0.284 -10.956 -11.071 451 HA GLU 61 HA GLU 61 0.201 -8.218 -10.805 452 HB2 GLU 61 2HB GLU 61 1.887 -9.735 -11.639 453 HB3 GLU 61 1HB GLU 61 0.901 -10.107 -13.043 454 HG2 GLU 61 2HG GLU 61 1.126 -7.787 -13.803 455 HG3 GLU 61 1HG GLU 61 2.155 -7.447 -12.415 456 H ASP 62 H ASP 62 -1.394 -9.885 -13.533 457 HA ASP 62 HA ASP 62 -2.004 -7.553 -14.985 458 HB2 ASP 62 2HB ASP 62 -3.250 -10.301 -14.981 459 HB3 ASP 62 1HB ASP 62 -3.797 -9.023 -16.060 460 H GLU 63 H GLU 63 -3.375 -8.908 -12.197 461 HA GLU 63 HA GLU 63 -5.901 -7.539 -12.354 462 HB2 GLU 63 2HB GLU 63 -5.904 -9.582 -11.176 463 HB3 GLU 63 1HB GLU 63 -4.472 -9.148 -10.255 464 HG2 GLU 63 2HG GLU 63 -5.714 -7.611 -8.941 465 HG3 GLU 63 1HG GLU 63 -7.126 -7.768 -9.993 466 H LEU 64 H LEU 64 -2.848 -7.173 -10.560 467 HA LEU 64 HA LEU 64 -3.497 -4.860 -9.165 468 HB2 LEU 64 2HB LEU 64 -0.968 -6.132 -10.013 469 HB3 LEU 64 1HB LEU 64 -0.893 -4.451 -9.521 470 HG LEU 64 HG LEU 64 -2.360 -5.619 -7.500 471 HD11 LEU 64 1HD1 LEU 64 -0.998 -7.546 -6.791 472 HD12 LEU 64 2HD1 LEU 64 -0.185 -7.513 -8.357 473 HD13 LEU 64 3HD1 LEU 64 -1.914 -7.846 -8.267 474 HD21 LEU 64 3HD2 LEU 64 -0.640 -3.927 -7.254 475 HD22 LEU 64 1HD2 LEU 64 0.606 -5.112 -7.649 476 HD23 LEU 64 2HD2 LEU 64 -0.337 -5.286 -6.169 477 H LYS 65 H LYS 65 -2.902 -5.320 -12.488 478 HA LYS 65 HA LYS 65 -1.930 -2.866 -13.275 479 HB2 LYS 65 2HB LYS 65 -3.198 -5.105 -14.509 480 HB3 LYS 65 1HB LYS 65 -3.922 -3.637 -15.150 481 HG2 LYS 65 2HG LYS 65 -1.971 -4.539 -16.434 482 HG3 LYS 65 1HG LYS 65 -1.845 -2.848 -15.948 483 HD2 LYS 65 2HD LYS 65 -0.318 -3.356 -14.222 484 HD3 LYS 65 1HD LYS 65 -0.642 -5.089 -14.340 485 HE2 LYS 65 2HE LYS 65 0.407 -5.186 -16.494 486 HE3 LYS 65 1HE LYS 65 0.598 -3.433 -16.530 487 HZ1 LYS 65 3HZ LYS 65 1.941 -5.322 -14.681 488 HZ2 LYS 65 1HZ LYS 65 2.079 -3.636 -14.598 489 HZ3 LYS 65 2HZ LYS 65 2.663 -4.473 -15.948 490 H LEU 66 H LEU 66 -5.313 -3.776 -12.646 491 HA LEU 66 HA LEU 66 -6.028 -0.948 -12.977 492 HB2 LEU 66 2HB LEU 66 -7.829 -3.362 -12.895 493 HB3 LEU 66 1HB LEU 66 -8.365 -1.704 -13.092 494 HG LEU 66 HG LEU 66 -8.380 -2.399 -15.269 495 HD11 LEU 66 1HD1 LEU 66 -6.315 -1.606 -16.410 496 HD12 LEU 66 2HD1 LEU 66 -5.556 -1.440 -14.822 497 HD13 LEU 66 3HD1 LEU 66 -6.971 -0.471 -15.234 498 HD21 LEU 66 3HD2 LEU 66 -7.596 -4.655 -14.852 499 HD22 LEU 66 1HD2 LEU 66 -5.938 -4.074 -14.715 500 HD23 LEU 66 2HD2 LEU 66 -6.783 -3.970 -16.259 501 H PHE 67 H PHE 67 -5.026 -2.765 -10.496 502 HA PHE 67 HA PHE 67 -7.047 -2.416 -8.558 503 HB2 PHE 67 2HB PHE 67 -5.611 -3.330 -7.071 504 HB3 PHE 67 1HB PHE 67 -4.688 -3.713 -8.504 505 HD1 PHE 67 2HD PHE 67 -4.960 -1.368 -5.673 506 HD2 PHE 67 1HD PHE 67 -2.513 -2.810 -8.828 507 HE1 PHE 67 2HE PHE 67 -3.026 -0.211 -4.693 508 HE2 PHE 67 1HE PHE 67 -0.572 -1.660 -7.854 509 HZ PHE 67 HZ PHE 67 -0.827 -0.356 -5.783 510 H LEU 68 H LEU 68 -4.767 -0.284 -9.965 511 HA LEU 68 HA LEU 68 -4.704 1.757 -8.050 512 HB2 LEU 68 2HB LEU 68 -4.553 2.022 -11.055 513 HB3 LEU 68 1HB LEU 68 -4.063 3.243 -9.901 514 HG LEU 68 HG LEU 68 -2.072 2.286 -10.671 515 HD11 LEU 68 1HD1 LEU 68 -2.730 0.920 -8.070 516 HD12 LEU 68 2HD1 LEU 68 -2.107 2.560 -8.263 517 HD13 LEU 68 3HD1 LEU 68 -1.113 1.178 -8.724 518 HD21 LEU 68 3HD2 LEU 68 -3.099 -0.481 -10.100 519 HD22 LEU 68 1HD2 LEU 68 -1.622 -0.025 -10.942 520 HD23 LEU 68 2HD2 LEU 68 -3.194 0.276 -11.692 521 H GLN 69 H GLN 69 -6.783 1.311 -10.884 522 HA GLN 69 HA GLN 69 -8.389 3.593 -10.365 523 HB2 GLN 69 2HB GLN 69 -9.139 1.139 -11.965 524 HB3 GLN 69 1HB GLN 69 -9.873 2.732 -12.076 525 HG2 GLN 69 2HG GLN 69 -7.627 3.595 -12.810 526 HG3 GLN 69 1HG GLN 69 -7.111 1.911 -12.926 527 HE21 GLN 69 1HE2 GLN 69 -8.030 0.591 -14.505 528 HE22 GLN 69 2HE2 GLN 69 -8.845 1.240 -15.882 529 H ASN 70 H ASN 70 -8.191 0.520 -8.975 530 HA ASN 70 HA ASN 70 -10.922 0.452 -7.989 531 HB2 ASN 70 2HB ASN 70 -9.632 -1.635 -8.459 532 HB3 ASN 70 1HB ASN 70 -8.531 -1.212 -7.153 533 HD21 ASN 70 1HD2 ASN 70 -8.985 -3.037 -5.971 534 HD22 ASN 70 2HD2 ASN 70 -10.497 -3.273 -5.163 535 H PHE 71 H PHE 71 -7.705 1.242 -6.839 536 HA PHE 71 HA PHE 71 -8.375 1.790 -4.142 537 HB2 PHE 71 2HB PHE 71 -6.048 1.586 -5.556 538 HB3 PHE 71 1HB PHE 71 -6.161 3.328 -5.360 539 HD1 PHE 71 2HD PHE 71 -7.622 3.026 -2.578 540 HD2 PHE 71 1HD PHE 71 -4.043 1.452 -4.250 541 HE1 PHE 71 2HE PHE 71 -6.666 2.803 -0.321 542 HE2 PHE 71 1HE PHE 71 -3.085 1.223 -1.998 543 HZ PHE 71 HZ PHE 71 -4.398 1.899 -0.029 544 H SER 72 H SER 72 -7.981 3.835 -7.009 545 HA SER 72 HA SER 72 -9.948 5.712 -6.021 546 HB2 SER 72 2HB SER 72 -7.086 6.577 -6.534 547 HB3 SER 72 1HB SER 72 -8.440 7.676 -6.279 548 HG SER 72 HG SER 72 -8.366 5.862 -4.304 549 H ALA 73 H ALA 73 -10.829 6.978 -7.680 550 HA ALA 73 HA ALA 73 -10.779 5.689 -10.214 551 HB1 ALA 73 1HB ALA 73 -12.118 8.274 -9.435 552 HB2 ALA 73 2HB ALA 73 -12.812 6.663 -9.251 553 HB3 ALA 73 3HB ALA 73 -12.473 7.299 -10.861 554 H GLY 74 H GLY 74 -8.883 8.191 -8.916 555 HA2 GLY 74 2HA GLY 74 -8.149 9.116 -11.623 556 HA3 GLY 74 1HA GLY 74 -7.933 10.057 -10.154 557 H ALA 75 H ALA 75 -7.179 6.659 -10.309 558 HA ALA 75 HA ALA 75 -4.361 7.331 -9.874 559 HB1 ALA 75 1HB ALA 75 -5.834 4.749 -9.369 560 HB2 ALA 75 2HB ALA 75 -5.420 5.962 -8.157 561 HB3 ALA 75 3HB ALA 75 -4.144 5.065 -8.980 562 H ARG 76 H ARG 76 -2.748 6.544 -11.149 563 HA ARG 76 HA ARG 76 -3.515 5.827 -13.832 564 HB2 ARG 76 2HB ARG 76 -0.736 6.209 -12.718 565 HB3 ARG 76 1HB ARG 76 -1.216 6.246 -14.409 566 HG2 ARG 76 2HG ARG 76 -2.038 8.248 -12.315 567 HG3 ARG 76 1HG ARG 76 -0.789 8.484 -13.538 568 HD2 ARG 76 2HD ARG 76 -3.715 7.984 -14.078 569 HD3 ARG 76 1HD ARG 76 -2.906 9.546 -14.174 570 HE ARG 76 HE ARG 76 -1.553 7.753 -15.841 571 HH11 ARG 76 1HH1 ARG 76 -4.640 9.380 -15.628 572 HH12 ARG 76 2HH1 ARG 76 -4.895 9.400 -17.344 573 HH21 ARG 76 1HH2 ARG 76 -1.885 7.769 -18.108 574 HH22 ARG 76 2HH2 ARG 76 -3.327 8.486 -18.752 575 H ALA 77 H ALA 77 -3.202 3.877 -14.813 576 HA ALA 77 HA ALA 77 -2.772 1.572 -13.224 577 HB1 ALA 77 1HB ALA 77 -2.867 0.324 -15.323 578 HB2 ALA 77 2HB ALA 77 -2.764 1.837 -16.226 579 HB3 ALA 77 3HB ALA 77 -4.173 1.508 -15.217 580 H LEU 78 H LEU 78 -0.939 0.808 -12.510 581 HA LEU 78 HA LEU 78 1.587 1.806 -13.323 582 HB2 LEU 78 2HB LEU 78 0.954 -0.641 -11.674 583 HB3 LEU 78 1HB LEU 78 2.506 0.166 -11.767 584 HG LEU 78 HG LEU 78 -0.024 1.287 -10.572 585 HD11 LEU 78 1HD1 LEU 78 1.220 1.190 -8.478 586 HD12 LEU 78 2HD1 LEU 78 2.586 0.457 -9.318 587 HD13 LEU 78 3HD1 LEU 78 1.053 -0.410 -9.204 588 HD21 LEU 78 3HD2 LEU 78 1.198 3.074 -11.634 589 HD22 LEU 78 1HD2 LEU 78 2.704 2.531 -10.890 590 HD23 LEU 78 2HD2 LEU 78 1.409 3.181 -9.887 591 H SER 79 H SER 79 2.980 1.070 -14.809 592 HA SER 79 HA SER 79 2.437 -1.553 -16.020 593 HB2 SER 79 2HB SER 79 3.221 0.940 -17.549 594 HB3 SER 79 1HB SER 79 2.791 -0.630 -18.227 595 HG SER 79 HG SER 79 1.027 0.909 -16.622 596 H ASP 80 H ASP 80 4.237 -2.571 -17.001 597 HA ASP 80 HA ASP 80 6.354 -3.342 -17.072 598 HB2 ASP 80 2HB ASP 80 6.749 -0.402 -17.477 599 HB3 ASP 80 1HB ASP 80 8.129 -1.491 -17.430 600 H ALA 81 H ALA 81 7.977 -0.680 -15.733 601 HA ALA 81 HA ALA 81 9.201 -2.508 -13.943 602 HB1 ALA 81 1HB ALA 81 9.610 0.467 -14.185 603 HB2 ALA 81 2HB ALA 81 10.467 -0.767 -15.106 604 HB3 ALA 81 3HB ALA 81 10.677 -0.668 -13.358 605 H GLU 82 H GLU 82 6.862 0.060 -13.595 606 HA GLU 82 HA GLU 82 7.052 0.506 -10.835 607 HB2 GLU 82 2HB GLU 82 4.366 0.594 -12.113 608 HB3 GLU 82 1HB GLU 82 5.116 1.741 -11.019 609 HG2 GLU 82 2HG GLU 82 5.674 1.413 -13.953 610 HG3 GLU 82 1HG GLU 82 4.802 2.730 -13.181 611 H THR 83 H THR 83 4.857 -1.615 -12.653 612 HA THR 83 HA THR 83 3.625 -2.759 -10.407 613 HB THR 83 HB THR 83 4.097 -4.350 -12.910 614 HG1 THR 83 1HG THR 83 2.323 -2.137 -12.582 615 HG21 THR 83 3HG2 THR 83 2.841 -5.384 -11.083 616 HG22 THR 83 1HG2 THR 83 1.802 -5.095 -12.478 617 HG23 THR 83 2HG2 THR 83 1.717 -4.025 -11.078 618 H LYS 84 H LYS 84 6.482 -3.721 -12.268 619 HA LYS 84 HA LYS 84 6.984 -6.180 -11.088 620 HB2 LYS 84 2HB LYS 84 8.170 -5.534 -13.061 621 HB3 LYS 84 1HB LYS 84 8.869 -4.137 -12.255 622 HG2 LYS 84 2HG LYS 84 10.217 -5.545 -10.859 623 HG3 LYS 84 1HG LYS 84 9.442 -6.995 -11.505 624 HD2 LYS 84 2HD LYS 84 11.546 -6.770 -12.597 625 HD3 LYS 84 1HD LYS 84 10.304 -6.329 -13.767 626 HE2 LYS 84 2HE LYS 84 12.066 -4.740 -13.959 627 HE3 LYS 84 1HE LYS 84 10.714 -3.933 -13.167 628 HZ1 LYS 84 3HZ LYS 84 11.820 -4.324 -11.029 629 HZ2 LYS 84 1HZ LYS 84 12.772 -3.392 -12.071 630 HZ3 LYS 84 2HZ LYS 84 13.130 -5.024 -11.835 631 H VAL 85 H VAL 85 8.582 -3.088 -10.229 632 HA VAL 85 HA VAL 85 9.879 -4.267 -7.981 633 HB VAL 85 HB VAL 85 10.886 -2.379 -9.128 634 HG11 VAL 85 1HG1 VAL 85 8.559 -0.766 -8.104 635 HG12 VAL 85 2HG1 VAL 85 8.879 -1.195 -9.786 636 HG13 VAL 85 3HG1 VAL 85 9.981 -0.118 -8.924 637 HG21 VAL 85 3HG2 VAL 85 11.482 -1.003 -7.194 638 HG22 VAL 85 1HG2 VAL 85 11.479 -2.722 -6.798 639 HG23 VAL 85 2HG2 VAL 85 10.136 -1.697 -6.291 640 H PHE 86 H PHE 86 6.870 -2.551 -8.434 641 HA PHE 86 HA PHE 86 6.303 -2.034 -5.720 642 HB2 PHE 86 2HB PHE 86 5.078 -0.953 -7.538 643 HB3 PHE 86 1HB PHE 86 4.426 -2.497 -8.054 644 HD1 PHE 86 2HD PHE 86 4.248 0.171 -5.576 645 HD2 PHE 86 1HD PHE 86 2.633 -3.570 -6.795 646 HE1 PHE 86 2HE PHE 86 2.332 0.518 -4.075 647 HE2 PHE 86 1HE PHE 86 0.710 -3.229 -5.298 648 HZ PHE 86 HZ PHE 86 0.559 -1.183 -3.934 649 H LEU 87 H LEU 87 5.558 -4.793 -7.838 650 HA LEU 87 HA LEU 87 4.235 -6.344 -5.887 651 HB2 LEU 87 2HB LEU 87 5.816 -7.248 -8.295 652 HB3 LEU 87 1HB LEU 87 4.779 -8.283 -7.335 653 HG LEU 87 HG LEU 87 3.855 -5.915 -8.966 654 HD11 LEU 87 1HD1 LEU 87 2.841 -7.620 -10.410 655 HD12 LEU 87 2HD1 LEU 87 3.619 -8.879 -9.452 656 HD13 LEU 87 3HD1 LEU 87 4.599 -7.738 -10.373 657 HD21 LEU 87 3HD2 LEU 87 2.442 -6.308 -7.001 658 HD22 LEU 87 1HD2 LEU 87 2.263 -7.999 -7.471 659 HD23 LEU 87 2HD2 LEU 87 1.605 -6.723 -8.495 660 H LYS 88 H LYS 88 7.611 -6.010 -6.801 661 HA LYS 88 HA LYS 88 8.620 -8.202 -5.364 662 HB2 LYS 88 2HB LYS 88 9.914 -5.648 -6.303 663 HB3 LYS 88 1HB LYS 88 10.815 -6.922 -5.493 664 HG2 LYS 88 2HG LYS 88 9.217 -7.407 -7.984 665 HG3 LYS 88 1HG LYS 88 10.912 -6.912 -8.004 666 HD2 LYS 88 2HD LYS 88 11.463 -8.874 -6.615 667 HD3 LYS 88 1HD LYS 88 9.776 -9.386 -6.706 668 HE2 LYS 88 2HE LYS 88 9.932 -9.631 -9.097 669 HE3 LYS 88 1HE LYS 88 11.569 -8.977 -9.094 670 HZ1 LYS 88 3HZ LYS 88 12.327 -10.877 -7.871 671 HZ2 LYS 88 1HZ LYS 88 11.503 -11.413 -9.247 672 HZ3 LYS 88 2HZ LYS 88 10.757 -11.487 -7.732 673 H ALA 89 H ALA 89 7.738 -5.009 -4.326 674 HA ALA 89 HA ALA 89 9.164 -4.947 -1.896 675 HB1 ALA 89 1HB ALA 89 7.592 -3.236 -1.202 676 HB2 ALA 89 2HB ALA 89 6.488 -3.690 -2.500 677 HB3 ALA 89 3HB ALA 89 8.056 -2.979 -2.884 678 H GLY 90 H GLY 90 6.294 -6.610 -2.898 679 HA2 GLY 90 2HA GLY 90 5.798 -7.465 -0.118 680 HA3 GLY 90 1HA GLY 90 4.568 -7.405 -1.372 681 H ASP 91 H ASP 91 5.218 -8.786 -3.385 682 HA ASP 91 HA ASP 91 5.169 -11.466 -2.500 683 HB2 ASP 91 2HB ASP 91 4.159 -10.677 -4.625 684 HB3 ASP 91 1HB ASP 91 5.790 -10.543 -5.294 685 H SER 92 H SER 92 6.832 -12.516 -1.693 686 HA SER 92 HA SER 92 9.550 -11.730 -2.460 687 HB2 SER 92 2HB SER 92 8.663 -13.480 -0.158 688 HB3 SER 92 1HB SER 92 10.242 -12.725 -0.378 689 HG SER 92 HG SER 92 8.168 -10.938 -0.470 690 H ASP 93 H ASP 93 7.284 -13.908 -3.326 691 HA ASP 93 HA ASP 93 9.006 -16.263 -3.406 692 HB2 ASP 93 2HB ASP 93 6.296 -16.269 -4.637 693 HB3 ASP 93 1HB ASP 93 7.111 -17.528 -3.726 694 H GLY 94 H GLY 94 7.913 -13.767 -5.535 695 HA2 GLY 94 2HA GLY 94 8.361 -13.428 -7.799 696 HA3 GLY 94 1HA GLY 94 9.205 -14.978 -7.834 697 H ASP 95 H ASP 95 5.963 -14.143 -6.788 698 HA ASP 95 HA ASP 95 4.982 -16.530 -8.175 699 HB2 ASP 95 2HB ASP 95 4.776 -16.009 -5.636 700 HB3 ASP 95 1HB ASP 95 3.476 -14.938 -6.121 701 H GLY 96 H GLY 96 5.148 -13.291 -8.760 702 HA2 GLY 96 2HA GLY 96 4.183 -12.024 -10.429 703 HA3 GLY 96 1HA GLY 96 3.290 -13.453 -10.920 704 H LYS 97 H LYS 97 3.150 -12.051 -7.722 705 HA LYS 97 HA LYS 97 0.527 -10.870 -8.112 706 HB2 LYS 97 2HB LYS 97 -0.638 -12.403 -6.652 707 HB3 LYS 97 1HB LYS 97 0.062 -13.316 -7.981 708 HG2 LYS 97 2HG LYS 97 1.635 -14.327 -6.636 709 HG3 LYS 97 1HG LYS 97 1.546 -13.079 -5.372 710 HD2 LYS 97 2HD LYS 97 0.462 -15.203 -4.704 711 HD3 LYS 97 1HD LYS 97 -0.682 -13.865 -4.766 712 HE2 LYS 97 2HE LYS 97 -1.631 -15.899 -5.733 713 HE3 LYS 97 1HE LYS 97 -1.473 -14.626 -6.941 714 HZ1 LYS 97 3HZ LYS 97 0.395 -15.683 -7.882 715 HZ2 LYS 97 1HZ LYS 97 -0.757 -16.899 -7.660 716 HZ3 LYS 97 2HZ LYS 97 0.548 -16.766 -6.588 717 H ILE 98 H ILE 98 -0.394 -10.355 -5.889 718 HA ILE 98 HA ILE 98 1.780 -9.825 -3.982 719 HB ILE 98 HB ILE 98 -0.765 -8.325 -4.513 720 HG12 ILE 98 2HG1 ILE 98 1.222 -7.628 -5.756 721 HG13 ILE 98 1HG1 ILE 98 0.737 -6.387 -4.606 722 HG21 ILE 98 1HG2 ILE 98 -0.679 -8.707 -2.115 723 HG22 ILE 98 2HG2 ILE 98 -0.393 -7.011 -2.504 724 HG23 ILE 98 3HG2 ILE 98 0.959 -8.056 -2.067 725 HD11 ILE 98 3HD1 ILE 98 3.062 -8.271 -4.439 726 HD12 ILE 98 1HD1 ILE 98 2.470 -7.368 -3.042 727 HD13 ILE 98 2HD1 ILE 98 3.065 -6.509 -4.456 728 H GLY 99 H GLY 99 1.750 -11.530 -2.616 729 HA2 GLY 99 2HA GLY 99 -0.563 -12.765 -1.597 730 HA3 GLY 99 1HA GLY 99 0.995 -12.674 -0.770 731 H VAL 100 H VAL 100 -1.921 -12.169 0.054 732 HA VAL 100 HA VAL 100 -2.363 -9.470 0.407 733 HB VAL 100 HB VAL 100 -3.875 -10.283 2.246 734 HG11 VAL 100 1HG1 VAL 100 -5.458 -11.170 0.645 735 HG12 VAL 100 2HG1 VAL 100 -4.142 -11.603 -0.443 736 HG13 VAL 100 3HG1 VAL 100 -4.504 -9.902 -0.138 737 HG21 VAL 100 3HG2 VAL 100 -2.605 -12.328 2.800 738 HG22 VAL 100 1HG2 VAL 100 -3.064 -12.993 1.233 739 HG23 VAL 100 2HG2 VAL 100 -4.300 -12.645 2.439 740 H ASP 101 H ASP 101 -0.748 -11.803 2.450 741 HA ASP 101 HA ASP 101 -0.347 -9.914 4.583 742 HB2 ASP 101 2HB ASP 101 -0.722 -12.309 4.974 743 HB3 ASP 101 1HB ASP 101 0.785 -12.683 4.137 744 H GLU 102 H GLU 102 1.244 -10.921 1.716 745 HA GLU 102 HA GLU 102 3.849 -9.919 2.315 746 HB2 GLU 102 2HB GLU 102 2.508 -10.253 -0.395 747 HB3 GLU 102 1HB GLU 102 4.233 -10.018 -0.110 748 HG2 GLU 102 2HG GLU 102 4.198 -12.159 1.213 749 HG3 GLU 102 1HG GLU 102 2.563 -12.409 0.612 750 H PHE 103 H PHE 103 0.868 -8.562 1.074 751 HA PHE 103 HA PHE 103 1.955 -6.082 0.212 752 HB2 PHE 103 2HB PHE 103 -0.314 -7.107 -0.417 753 HB3 PHE 103 1HB PHE 103 -0.890 -6.486 1.126 754 HD1 PHE 103 2HD PHE 103 0.801 -5.402 -1.998 755 HD2 PHE 103 1HD PHE 103 -1.706 -4.318 1.260 756 HE1 PHE 103 2HE PHE 103 0.399 -3.216 -3.045 757 HE2 PHE 103 1HE PHE 103 -2.115 -2.127 0.216 758 HZ PHE 103 HZ PHE 103 -1.062 -1.573 -1.938 759 H GLY 104 H GLY 104 0.157 -7.024 3.146 760 HA2 GLY 104 2HA GLY 104 0.349 -4.599 4.514 761 HA3 GLY 104 1HA GLY 104 0.241 -6.179 5.282 762 H ALA 105 H ALA 105 2.666 -7.204 4.162 763 HA ALA 105 HA ALA 105 4.519 -6.323 6.090 764 HB1 ALA 105 1HB ALA 105 5.001 -7.968 3.611 765 HB2 ALA 105 2HB ALA 105 4.522 -8.591 5.190 766 HB3 ALA 105 3HB ALA 105 6.094 -7.818 4.985 767 H MET 106 H MET 106 4.223 -5.657 2.600 768 HA MET 106 HA MET 106 6.665 -4.218 2.408 769 HB2 MET 106 2HB MET 106 6.064 -3.650 0.227 770 HB3 MET 106 1HB MET 106 5.246 -5.184 0.474 771 HG2 MET 106 2HG MET 106 3.149 -4.164 0.655 772 HG3 MET 106 1HG MET 106 3.849 -2.575 0.938 773 HE1 MET 106 3HE MET 106 3.461 -4.667 -3.156 774 HE2 MET 106 1HE MET 106 2.778 -5.250 -1.639 775 HE3 MET 106 2HE MET 106 4.521 -5.336 -1.913 776 H ILE 107 H ILE 107 3.499 -3.378 3.474 777 HA ILE 107 HA ILE 107 3.790 -0.535 3.127 778 HB ILE 107 HB ILE 107 1.763 -2.196 4.635 779 HG12 ILE 107 2HG1 ILE 107 1.505 -0.728 2.005 780 HG13 ILE 107 1HG1 ILE 107 1.813 -2.457 2.154 781 HG21 ILE 107 1HG2 ILE 107 1.708 0.744 4.002 782 HG22 ILE 107 2HG2 ILE 107 1.927 0.023 5.593 783 HG23 ILE 107 3HG2 ILE 107 0.399 -0.180 4.738 784 HD11 ILE 107 3HD1 ILE 107 -0.531 -2.000 1.718 785 HD12 ILE 107 1HD1 ILE 107 -0.618 -1.008 3.171 786 HD13 ILE 107 2HD1 ILE 107 -0.312 -2.740 3.303 787 H LYS 108 H LYS 108 4.221 -2.903 5.622 788 HA LYS 108 HA LYS 108 4.559 -0.928 7.712 789 HB2 LYS 108 2HB LYS 108 3.315 -2.963 8.155 790 HB3 LYS 108 1HB LYS 108 4.687 -3.947 7.683 791 HG2 LYS 108 2HG LYS 108 5.069 -2.041 9.923 792 HG3 LYS 108 1HG LYS 108 4.078 -3.469 10.215 793 HD2 LYS 108 2HD LYS 108 6.858 -3.544 9.066 794 HD3 LYS 108 1HD LYS 108 6.495 -3.755 10.780 795 HE2 LYS 108 2HE LYS 108 5.523 -5.497 8.514 796 HE3 LYS 108 1HE LYS 108 6.786 -5.907 9.671 797 HZ1 LYS 108 3HZ LYS 108 3.917 -5.453 10.293 798 HZ2 LYS 108 1HZ LYS 108 5.121 -5.767 11.442 799 HZ3 LYS 108 2HZ LYS 108 4.722 -6.939 10.293 800 H ALA 109 H ALA 109 6.465 -2.331 5.349 801 HA ALA 109 HA ALA 109 8.917 -2.769 6.637 802 HB1 ALA 109 1HB ALA 109 8.438 -1.834 3.808 803 HB2 ALA 109 2HB ALA 109 8.444 -3.512 4.351 804 HB3 ALA 109 3HB ALA 109 9.924 -2.554 4.429 Start of MODEL 16 1 H1 MET 1 1HT MET 1 -13.988 8.475 -7.960 2 H2 MET 1 2HT MET 1 -13.167 9.216 -6.682 3 H3 MET 1 3HT MET 1 -14.725 9.723 -7.088 4 HA MET 1 HA MET 1 -15.622 7.584 -6.456 5 HB2 MET 1 2HB MET 1 -12.755 7.035 -5.666 6 HB3 MET 1 1HB MET 1 -14.119 6.060 -5.143 7 HG2 MET 1 2HG MET 1 -14.612 5.503 -7.468 8 HG3 MET 1 1HG MET 1 -13.246 6.483 -7.992 9 HE1 MET 1 2HE MET 1 -13.431 4.111 -4.826 10 HE2 MET 1 3HE MET 1 -12.843 2.601 -5.520 11 HE3 MET 1 1HE MET 1 -14.385 3.275 -6.050 12 H ALA 2 H ALA 2 -16.629 7.589 -4.507 13 HA ALA 2 HA ALA 2 -15.410 9.185 -2.353 14 HB1 ALA 2 1HB ALA 2 -17.615 10.049 -1.770 15 HB2 ALA 2 2HB ALA 2 -18.330 9.165 -3.117 16 HB3 ALA 2 3HB ALA 2 -17.196 10.479 -3.429 17 H PHE 3 H PHE 3 -15.387 8.216 -0.403 18 HA PHE 3 HA PHE 3 -17.197 6.083 0.274 19 HB2 PHE 3 2HB PHE 3 -15.461 5.000 -1.213 20 HB3 PHE 3 1HB PHE 3 -14.253 5.423 -0.008 21 HD1 PHE 3 1HD PHE 3 -17.510 3.630 -0.297 22 HD2 PHE 3 2HD PHE 3 -13.701 3.867 1.589 23 HE1 PHE 3 1HE PHE 3 -17.973 1.530 0.895 24 HE2 PHE 3 2HE PHE 3 -14.160 1.768 2.785 25 HZ PHE 3 HZ PHE 3 -16.297 0.597 2.439 26 H ALA 4 H ALA 4 -16.163 5.014 2.435 27 HA ALA 4 HA ALA 4 -16.107 6.962 4.421 28 HB1 ALA 4 1HB ALA 4 -14.960 4.175 4.516 29 HB2 ALA 4 2HB ALA 4 -16.642 4.607 4.822 30 HB3 ALA 4 3HB ALA 4 -15.375 5.175 5.909 31 H GLY 5 H GLY 5 -14.299 7.336 5.973 32 HA2 GLY 5 2HA GLY 5 -12.074 8.402 4.485 33 HA3 GLY 5 1HA GLY 5 -12.367 8.578 6.210 34 H ILE 6 H ILE 6 -12.304 5.431 4.745 35 HA ILE 6 HA ILE 6 -10.016 4.562 6.203 36 HB ILE 6 HB ILE 6 -11.394 3.330 3.800 37 HG12 ILE 6 2HG1 ILE 6 -12.803 3.570 5.837 38 HG13 ILE 6 1HG1 ILE 6 -12.517 1.892 5.391 39 HG21 ILE 6 1HG2 ILE 6 -9.444 2.043 5.718 40 HG22 ILE 6 2HG2 ILE 6 -9.080 2.528 4.058 41 HG23 ILE 6 3HG2 ILE 6 -10.266 1.261 4.365 42 HD11 ILE 6 3HD1 ILE 6 -11.159 3.424 7.590 43 HD12 ILE 6 1HD1 ILE 6 -10.746 1.780 7.102 44 HD13 ILE 6 2HD1 ILE 6 -12.342 2.129 7.767 45 H LEU 7 H LEU 7 -10.639 5.949 3.091 46 HA LEU 7 HA LEU 7 -7.816 6.477 2.773 47 HB2 LEU 7 2HB LEU 7 -7.646 5.697 0.513 48 HB3 LEU 7 1HB LEU 7 -8.160 4.375 1.527 49 HG LEU 7 HG LEU 7 -9.332 4.107 -0.472 50 HD11 LEU 7 1HD1 LEU 7 -11.681 4.431 0.032 51 HD12 LEU 7 2HD1 LEU 7 -11.255 5.517 1.354 52 HD13 LEU 7 3HD1 LEU 7 -10.797 3.816 1.428 53 HD21 LEU 7 3HD2 LEU 7 -8.886 6.244 -1.494 54 HD22 LEU 7 1HD2 LEU 7 -10.046 7.027 -0.420 55 HD23 LEU 7 2HD2 LEU 7 -10.601 5.851 -1.613 56 H ASN 8 H ASN 8 -7.423 8.429 1.869 57 HA ASN 8 HA ASN 8 -9.748 9.981 0.964 58 HB2 ASN 8 2HB ASN 8 -7.019 10.755 1.966 59 HB3 ASN 8 1HB ASN 8 -7.976 11.885 1.018 60 HD21 ASN 8 1HD2 ASN 8 -9.340 9.579 3.275 61 HD22 ASN 8 2HD2 ASN 8 -9.866 10.747 4.435 62 H ASP 9 H ASP 9 -10.092 10.010 -1.127 63 HA ASP 9 HA ASP 9 -8.508 8.952 -3.121 64 HB2 ASP 9 2HB ASP 9 -10.826 9.391 -3.552 65 HB3 ASP 9 1HB ASP 9 -10.615 11.113 -3.258 66 H ALA 10 H ALA 10 -8.578 12.230 -1.872 67 HA ALA 10 HA ALA 10 -6.920 13.447 -3.787 68 HB1 ALA 10 1HB ALA 10 -8.261 14.734 -2.232 69 HB2 ALA 10 2HB ALA 10 -6.560 15.167 -2.049 70 HB3 ALA 10 3HB ALA 10 -7.334 14.106 -0.870 71 H ASP 11 H ASP 11 -6.103 11.986 -0.632 72 HA ASP 11 HA ASP 11 -3.344 12.536 -0.772 73 HB2 ASP 11 2HB ASP 11 -4.916 10.517 0.818 74 HB3 ASP 11 1HB ASP 11 -3.168 10.669 0.964 75 H ILE 12 H ILE 12 -5.176 9.629 -1.486 76 HA ILE 12 HA ILE 12 -3.053 7.996 -2.271 77 HB ILE 12 HB ILE 12 -5.982 8.056 -2.818 78 HG12 ILE 12 2HG1 ILE 12 -5.837 5.788 -1.754 79 HG13 ILE 12 1HG1 ILE 12 -4.114 6.054 -1.532 80 HG21 ILE 12 1HG2 ILE 12 -5.847 5.995 -4.141 81 HG22 ILE 12 2HG2 ILE 12 -4.089 6.113 -4.135 82 HG23 ILE 12 3HG2 ILE 12 -5.051 7.344 -4.951 83 HD11 ILE 12 3HD1 ILE 12 -4.596 7.952 -0.080 84 HD12 ILE 12 1HD1 ILE 12 -5.347 6.471 0.511 85 HD13 ILE 12 2HD1 ILE 12 -6.326 7.688 -0.310 86 H THR 13 H THR 13 -5.160 10.092 -4.219 87 HA THR 13 HA THR 13 -3.971 9.633 -6.709 88 HB THR 13 HB THR 13 -5.410 12.071 -5.650 89 HG1 THR 13 1HG THR 13 -6.836 10.422 -5.714 90 HG21 THR 13 3HG2 THR 13 -5.784 12.709 -7.969 91 HG22 THR 13 1HG2 THR 13 -4.802 11.351 -8.521 92 HG23 THR 13 2HG2 THR 13 -4.059 12.667 -7.610 93 H ALA 14 H ALA 14 -3.135 11.875 -4.121 94 HA ALA 14 HA ALA 14 -1.427 13.576 -5.512 95 HB1 ALA 14 1HB ALA 14 -1.182 12.724 -2.634 96 HB2 ALA 14 2HB ALA 14 -2.244 13.996 -3.238 97 HB3 ALA 14 3HB ALA 14 -0.494 14.174 -3.363 98 H ALA 15 H ALA 15 -0.498 10.713 -3.559 99 HA ALA 15 HA ALA 15 2.224 10.811 -4.305 100 HB1 ALA 15 1HB ALA 15 2.329 8.491 -3.442 101 HB2 ALA 15 2HB ALA 15 0.572 8.513 -3.278 102 HB3 ALA 15 3HB ALA 15 1.560 9.626 -2.330 103 H LEU 16 H LEU 16 -0.547 9.171 -5.747 104 HA LEU 16 HA LEU 16 0.899 7.572 -7.578 105 HB2 LEU 16 2HB LEU 16 -1.918 8.640 -7.627 106 HB3 LEU 16 1HB LEU 16 -1.290 7.546 -8.842 107 HG LEU 16 HG LEU 16 -1.361 6.876 -5.903 108 HD11 LEU 16 1HD1 LEU 16 -3.338 6.177 -8.065 109 HD12 LEU 16 2HD1 LEU 16 -3.630 7.234 -6.685 110 HD13 LEU 16 3HD1 LEU 16 -3.328 5.516 -6.432 111 HD21 LEU 16 3HD2 LEU 16 0.257 5.610 -7.220 112 HD22 LEU 16 1HD2 LEU 16 -1.009 5.176 -8.369 113 HD23 LEU 16 2HD2 LEU 16 -1.085 4.584 -6.710 114 H ALA 17 H ALA 17 -0.463 10.829 -7.813 115 HA ALA 17 HA ALA 17 0.273 11.177 -10.562 116 HB1 ALA 17 1HB ALA 17 -1.615 12.378 -9.564 117 HB2 ALA 17 2HB ALA 17 -0.428 13.486 -10.251 118 HB3 ALA 17 3HB ALA 17 -0.501 13.244 -8.505 119 H ALA 18 H ALA 18 1.867 11.546 -7.539 120 HA ALA 18 HA ALA 18 3.867 13.409 -8.324 121 HB1 ALA 18 1HB ALA 18 3.327 12.895 -5.962 122 HB2 ALA 18 2HB ALA 18 5.043 12.718 -6.325 123 HB3 ALA 18 3HB ALA 18 4.020 11.287 -6.185 124 H CYS 19 H CYS 19 3.384 10.023 -8.699 125 HA CYS 19 HA CYS 19 6.142 9.651 -9.618 126 HB2 CYS 19 2HB CYS 19 4.106 7.512 -9.002 127 HB3 CYS 19 1HB CYS 19 5.843 7.329 -9.199 128 HG CYS 19 HG CYS 19 4.177 8.706 -6.564 129 H LYS 20 H LYS 20 4.704 11.020 -11.414 130 HA LYS 20 HA LYS 20 3.349 9.348 -13.285 131 HB2 LYS 20 2HB LYS 20 3.421 11.414 -14.684 132 HB3 LYS 20 1HB LYS 20 2.688 11.642 -13.111 133 HG2 LYS 20 2HG LYS 20 4.681 12.709 -12.290 134 HG3 LYS 20 1HG LYS 20 5.531 12.354 -13.795 135 HD2 LYS 20 2HD LYS 20 3.909 13.759 -15.008 136 HD3 LYS 20 1HD LYS 20 3.132 14.156 -13.474 137 HE2 LYS 20 2HE LYS 20 5.156 15.215 -12.684 138 HE3 LYS 20 1HE LYS 20 6.018 14.718 -14.137 139 HZ1 LYS 20 3HZ LYS 20 5.312 17.037 -14.227 140 HZ2 LYS 20 1HZ LYS 20 3.695 16.563 -14.079 141 HZ3 LYS 20 2HZ LYS 20 4.583 16.124 -15.448 142 H ALA 21 H ALA 21 5.555 7.987 -13.005 143 HA ALA 21 HA ALA 21 6.940 8.277 -15.535 144 HB1 ALA 21 1HB ALA 21 9.180 8.209 -14.479 145 HB2 ALA 21 2HB ALA 21 8.412 8.443 -12.909 146 HB3 ALA 21 3HB ALA 21 8.301 9.699 -14.140 147 H GLU 22 H GLU 22 7.553 6.347 -16.334 148 HA GLU 22 HA GLU 22 6.526 3.989 -15.193 149 HB2 GLU 22 2HB GLU 22 8.522 4.411 -17.412 150 HB3 GLU 22 1HB GLU 22 7.890 2.835 -16.968 151 HG2 GLU 22 2HG GLU 22 5.605 3.678 -17.445 152 HG3 GLU 22 1HG GLU 22 6.331 5.177 -18.029 153 H GLY 23 H GLY 23 7.373 2.428 -13.971 154 HA2 GLY 23 2HA GLY 23 8.865 1.252 -12.685 155 HA3 GLY 23 1HA GLY 23 10.154 1.963 -13.642 156 H SER 24 H SER 24 8.383 4.469 -12.425 157 HA SER 24 HA SER 24 10.233 4.721 -10.149 158 HB2 SER 24 2HB SER 24 9.234 6.910 -11.984 159 HB3 SER 24 1HB SER 24 10.339 7.124 -10.625 160 HG SER 24 HG SER 24 10.826 6.177 -13.164 161 H PHE 25 H PHE 25 7.798 3.570 -9.728 162 HA PHE 25 HA PHE 25 6.124 5.660 -8.573 163 HB2 PHE 25 2HB PHE 25 5.697 2.761 -9.168 164 HB3 PHE 25 1HB PHE 25 4.698 3.556 -7.955 165 HD1 PHE 25 1HD PHE 25 5.771 3.774 -11.505 166 HD2 PHE 25 2HD PHE 25 2.850 4.824 -8.593 167 HE1 PHE 25 1HE PHE 25 4.309 4.632 -13.286 168 HE2 PHE 25 2HE PHE 25 1.382 5.685 -10.371 169 HZ PHE 25 HZ PHE 25 2.112 5.589 -12.722 170 H ASP 26 H ASP 26 6.614 6.324 -6.621 171 HA ASP 26 HA ASP 26 8.209 4.765 -4.827 172 HB2 ASP 26 2HB ASP 26 6.819 7.425 -4.599 173 HB3 ASP 26 1HB ASP 26 7.594 6.675 -3.209 174 H HIS 27 H HIS 27 6.968 2.883 -4.564 175 HA HIS 27 HA HIS 27 4.333 2.784 -3.639 176 HB2 HIS 27 2HB HIS 27 4.639 0.498 -3.487 177 HB3 HIS 27 1HB HIS 27 6.044 0.900 -4.459 178 HD1 HIS 27 1HD HIS 27 5.057 -0.330 -1.091 179 HD2 HIS 27 2HD HIS 27 8.529 0.680 -3.134 180 HE1 HIS 27 1HE HIS 27 6.948 -1.145 0.348 181 HE2 HIS 27 2HE HIS 27 9.039 -0.426 -0.853 182 H LYS 28 H LYS 28 7.298 3.378 -2.055 183 HA LYS 28 HA LYS 28 6.422 2.861 0.614 184 HB2 LYS 28 2HB LYS 28 8.791 2.844 -0.344 185 HB3 LYS 28 1HB LYS 28 8.692 4.597 -0.303 186 HG2 LYS 28 2HG LYS 28 8.348 4.508 2.129 187 HG3 LYS 28 1HG LYS 28 8.518 2.755 2.068 188 HD2 LYS 28 2HD LYS 28 10.784 3.127 1.027 189 HD3 LYS 28 1HD LYS 28 10.597 4.835 1.423 190 HE2 LYS 28 2HE LYS 28 11.863 3.848 3.174 191 HE3 LYS 28 1HE LYS 28 10.246 4.145 3.809 192 HZ1 LYS 28 3HZ LYS 28 11.271 1.534 2.829 193 HZ2 LYS 28 1HZ LYS 28 9.715 1.807 3.435 194 HZ3 LYS 28 2HZ LYS 28 11.058 1.967 4.447 195 H ALA 29 H ALA 29 7.164 5.817 -1.228 196 HA ALA 29 HA ALA 29 6.318 7.701 0.617 197 HB1 ALA 29 1HB ALA 29 6.073 7.887 -2.381 198 HB2 ALA 29 2HB ALA 29 7.526 8.249 -1.449 199 HB3 ALA 29 3HB ALA 29 6.078 9.235 -1.245 200 H PHE 30 H PHE 30 4.474 5.781 -1.657 201 HA PHE 30 HA PHE 30 2.018 7.120 -1.440 202 HB2 PHE 30 2HB PHE 30 2.511 5.461 -3.188 203 HB3 PHE 30 1HB PHE 30 2.567 4.187 -1.977 204 HD1 PHE 30 1HD PHE 30 0.361 6.591 -3.687 205 HD2 PHE 30 2HD PHE 30 0.592 3.146 -1.201 206 HE1 PHE 30 1HE PHE 30 -2.045 6.208 -4.002 207 HE2 PHE 30 2HE PHE 30 -1.818 2.756 -1.512 208 HZ PHE 30 HZ PHE 30 -3.137 4.289 -2.916 209 H PHE 31 H PHE 31 3.129 4.165 0.285 210 HA PHE 31 HA PHE 31 0.792 3.920 1.831 211 HB2 PHE 31 2HB PHE 31 1.868 2.200 3.025 212 HB3 PHE 31 1HB PHE 31 2.570 2.158 1.435 213 HD1 PHE 31 1HD PHE 31 3.399 3.865 4.658 214 HD2 PHE 31 2HD PHE 31 4.709 1.574 1.330 215 HE1 PHE 31 1HE PHE 31 5.657 3.767 5.622 216 HE2 PHE 31 2HE PHE 31 6.973 1.484 2.278 217 HZ PHE 31 HZ PHE 31 7.452 2.583 4.427 218 H THR 32 H THR 32 3.670 5.742 2.280 219 HA THR 32 HA THR 32 3.134 6.168 5.075 220 HB THR 32 HB THR 32 5.369 5.681 4.066 221 HG1 THR 32 1HG THR 32 6.229 6.673 5.773 222 HG21 THR 32 3HG2 THR 32 5.167 8.573 3.189 223 HG22 THR 32 1HG2 THR 32 5.299 7.156 2.148 224 HG23 THR 32 2HG2 THR 32 6.649 7.614 3.184 225 H LYS 33 H LYS 33 2.535 7.801 2.093 226 HA LYS 33 HA LYS 33 2.208 10.385 3.356 227 HB2 LYS 33 2HB LYS 33 2.072 11.278 1.242 228 HB3 LYS 33 1HB LYS 33 3.010 9.843 0.914 229 HG2 LYS 33 2HG LYS 33 1.471 9.057 -0.457 230 HG3 LYS 33 1HG LYS 33 0.185 9.328 0.719 231 HD2 LYS 33 2HD LYS 33 1.362 11.481 -1.035 232 HD3 LYS 33 1HD LYS 33 -0.105 10.583 -1.417 233 HE2 LYS 33 2HE LYS 33 -1.018 12.432 -0.423 234 HE3 LYS 33 1HE LYS 33 -0.827 11.387 0.981 235 HZ1 LYS 33 3HZ LYS 33 1.175 13.424 0.183 236 HZ2 LYS 33 1HZ LYS 33 1.105 12.568 1.640 237 HZ3 LYS 33 2HZ LYS 33 -0.070 13.727 1.285 238 H VAL 34 H VAL 34 0.183 7.703 2.324 239 HA VAL 34 HA VAL 34 -2.230 9.268 2.597 240 HB VAL 34 HB VAL 34 -3.362 7.340 1.765 241 HG11 VAL 34 1HG1 VAL 34 -0.805 7.669 0.238 242 HG12 VAL 34 2HG1 VAL 34 -2.188 8.760 0.144 243 HG13 VAL 34 3HG1 VAL 34 -2.341 7.090 -0.402 244 HG21 VAL 34 3HG2 VAL 34 -2.185 5.611 2.994 245 HG22 VAL 34 1HG2 VAL 34 -0.761 5.863 1.987 246 HG23 VAL 34 2HG2 VAL 34 -2.245 5.231 1.272 247 H GLY 35 H GLY 35 -0.257 7.523 4.648 248 HA2 GLY 35 2HA GLY 35 -0.600 7.123 6.921 249 HA3 GLY 35 1HA GLY 35 -2.309 7.455 6.695 250 H LEU 36 H LEU 36 -0.564 5.186 4.682 251 HA LEU 36 HA LEU 36 -2.495 3.149 5.392 252 HB2 LEU 36 2HB LEU 36 -1.623 3.688 3.040 253 HB3 LEU 36 1HB LEU 36 -0.172 2.825 3.510 254 HG LEU 36 HG LEU 36 -1.618 0.819 3.971 255 HD11 LEU 36 1HD1 LEU 36 -3.843 0.770 2.982 256 HD12 LEU 36 2HD1 LEU 36 -3.694 2.470 2.536 257 HD13 LEU 36 3HD1 LEU 36 -3.741 2.004 4.235 258 HD21 LEU 36 3HD2 LEU 36 -1.872 0.237 1.601 259 HD22 LEU 36 1HD2 LEU 36 -0.317 1.007 1.925 260 HD23 LEU 36 2HD2 LEU 36 -1.615 1.927 1.166 261 H ALA 37 H ALA 37 0.648 4.032 6.360 262 HA ALA 37 HA ALA 37 1.529 1.365 7.053 263 HB1 ALA 37 1HB ALA 37 3.518 2.429 7.887 264 HB2 ALA 37 2HB ALA 37 2.749 4.011 7.821 265 HB3 ALA 37 3HB ALA 37 3.099 3.142 6.328 266 H ALA 38 H ALA 38 -0.614 3.490 8.384 267 HA ALA 38 HA ALA 38 -0.170 2.433 11.096 268 HB1 ALA 38 1HB ALA 38 -1.366 4.409 11.928 269 HB2 ALA 38 2HB ALA 38 -1.541 4.995 10.274 270 HB3 ALA 38 3HB ALA 38 0.062 4.861 10.998 271 H LYS 39 H LYS 39 -1.467 0.921 9.134 272 HA LYS 39 HA LYS 39 -4.329 1.311 9.574 273 HB2 LYS 39 2HB LYS 39 -2.798 -0.360 7.596 274 HB3 LYS 39 1HB LYS 39 -4.546 -0.457 7.775 275 HG2 LYS 39 2HG LYS 39 -2.932 1.945 6.943 276 HG3 LYS 39 1HG LYS 39 -4.021 0.984 5.938 277 HD2 LYS 39 2HD LYS 39 -5.845 1.612 7.596 278 HD3 LYS 39 1HD LYS 39 -4.713 2.810 8.221 279 HE2 LYS 39 2HE LYS 39 -4.673 3.978 6.167 280 HE3 LYS 39 1HE LYS 39 -5.483 2.657 5.321 281 HZ1 LYS 39 3HZ LYS 39 -7.042 4.409 5.757 282 HZ2 LYS 39 1HZ LYS 39 -6.671 4.395 7.410 283 HZ3 LYS 39 2HZ LYS 39 -7.445 3.062 6.709 284 H SER 40 H SER 40 -5.637 -0.102 10.513 285 HA SER 40 HA SER 40 -4.520 -2.209 12.127 286 HB2 SER 40 2HB SER 40 -7.431 -1.501 11.676 287 HB3 SER 40 1HB SER 40 -6.753 -2.403 13.030 288 HG SER 40 HG SER 40 -5.715 -0.528 13.720 289 HA PRO 41 HA PRO 41 -4.887 -5.804 9.616 290 HB2 PRO 41 2HB PRO 41 -7.004 -6.748 11.510 291 HB3 PRO 41 1HB PRO 41 -5.607 -7.618 10.862 292 HG2 PRO 41 2HG PRO 41 -5.541 -6.636 13.326 293 HG3 PRO 41 1HG PRO 41 -4.112 -6.542 12.279 294 HD2 PRO 41 2HD PRO 41 -6.004 -4.401 13.102 295 HD3 PRO 41 1HD PRO 41 -4.275 -4.297 12.718 296 H ALA 42 H ALA 42 -8.116 -4.776 10.766 297 HA ALA 42 HA ALA 42 -9.548 -5.972 8.650 298 HB1 ALA 42 1HB ALA 42 -10.562 -5.329 10.791 299 HB2 ALA 42 2HB ALA 42 -11.441 -4.671 9.411 300 HB3 ALA 42 3HB ALA 42 -10.376 -3.629 10.356 301 H ASP 43 H ASP 43 -7.937 -2.899 8.930 302 HA ASP 43 HA ASP 43 -9.224 -1.698 6.658 303 HB2 ASP 43 2HB ASP 43 -8.168 -0.453 8.593 304 HB3 ASP 43 1HB ASP 43 -6.602 -0.890 7.927 305 H ILE 44 H ILE 44 -6.034 -3.117 7.323 306 HA ILE 44 HA ILE 44 -5.100 -3.044 4.667 307 HB ILE 44 HB ILE 44 -4.361 -4.751 7.031 308 HG12 ILE 44 2HG1 ILE 44 -3.642 -2.487 7.223 309 HG13 ILE 44 1HG1 ILE 44 -2.224 -3.449 6.816 310 HG21 ILE 44 1HG2 ILE 44 -3.033 -4.814 4.322 311 HG22 ILE 44 2HG2 ILE 44 -3.955 -6.127 5.057 312 HG23 ILE 44 3HG2 ILE 44 -2.435 -5.603 5.783 313 HD11 ILE 44 3HD1 ILE 44 -3.789 -1.649 4.989 314 HD12 ILE 44 1HD1 ILE 44 -2.514 -2.741 4.450 315 HD13 ILE 44 2HD1 ILE 44 -2.139 -1.432 5.570 316 H LYS 45 H LYS 45 -7.356 -5.112 6.275 317 HA LYS 45 HA LYS 45 -7.343 -7.250 4.410 318 HB2 LYS 45 2HB LYS 45 -8.374 -7.296 6.708 319 HB3 LYS 45 1HB LYS 45 -9.688 -6.318 6.067 320 HG2 LYS 45 2HG LYS 45 -10.387 -8.591 6.075 321 HG3 LYS 45 1HG LYS 45 -10.121 -8.108 4.401 322 HD2 LYS 45 2HD LYS 45 -7.871 -9.150 4.510 323 HD3 LYS 45 1HD LYS 45 -8.254 -9.725 6.134 324 HE2 LYS 45 2HE LYS 45 -9.712 -10.424 3.595 325 HE3 LYS 45 1HE LYS 45 -8.618 -11.476 4.489 326 HZ1 LYS 45 3HZ LYS 45 -11.268 -10.474 5.370 327 HZ2 LYS 45 1HZ LYS 45 -10.181 -11.259 6.401 328 HZ3 LYS 45 2HZ LYS 45 -10.819 -12.076 5.068 329 H LYS 46 H LYS 46 -9.276 -4.234 4.610 330 HA LYS 46 HA LYS 46 -10.626 -4.852 2.166 331 HB2 LYS 46 2HB LYS 46 -11.481 -2.578 2.184 332 HB3 LYS 46 1HB LYS 46 -11.649 -3.303 3.767 333 HG2 LYS 46 2HG LYS 46 -10.990 -1.140 4.228 334 HG3 LYS 46 1HG LYS 46 -9.489 -2.052 4.354 335 HD2 LYS 46 2HD LYS 46 -9.170 0.059 3.149 336 HD3 LYS 46 1HD LYS 46 -8.840 -1.332 2.119 337 HE2 LYS 46 2HE LYS 46 -10.125 0.447 0.980 338 HE3 LYS 46 1HE LYS 46 -10.969 -1.096 1.026 339 HZ1 LYS 46 3HZ LYS 46 -11.474 1.217 2.814 340 HZ2 LYS 46 1HZ LYS 46 -12.274 -0.270 2.897 341 HZ3 LYS 46 2HZ LYS 46 -12.458 0.715 1.535 342 H VAL 47 H VAL 47 -7.615 -3.368 3.020 343 HA VAL 47 HA VAL 47 -6.942 -2.356 0.474 344 HB VAL 47 HB VAL 47 -5.116 -3.418 2.638 345 HG11 VAL 47 1HG1 VAL 47 -4.484 -1.711 0.234 346 HG12 VAL 47 2HG1 VAL 47 -3.975 -3.381 0.492 347 HG13 VAL 47 3HG1 VAL 47 -3.363 -2.099 1.539 348 HG21 VAL 47 3HG2 VAL 47 -6.487 -1.550 3.388 349 HG22 VAL 47 1HG2 VAL 47 -5.993 -0.606 1.983 350 HG23 VAL 47 2HG2 VAL 47 -4.806 -1.052 3.207 351 H PHE 48 H PHE 48 -6.634 -5.576 1.932 352 HA PHE 48 HA PHE 48 -5.433 -6.982 -0.110 353 HB2 PHE 48 2HB PHE 48 -5.961 -8.509 1.471 354 HB3 PHE 48 1HB PHE 48 -7.361 -7.599 2.009 355 HD1 PHE 48 1HD PHE 48 -6.284 -9.806 -0.817 356 HD2 PHE 48 2HD PHE 48 -9.447 -8.507 1.714 357 HE1 PHE 48 1HE PHE 48 -7.766 -11.498 -1.804 358 HE2 PHE 48 2HE PHE 48 -10.936 -10.195 0.724 359 HZ PHE 48 HZ PHE 48 -10.097 -11.695 -1.035 360 H GLU 49 H GLU 49 -8.834 -6.038 0.155 361 HA GLU 49 HA GLU 49 -9.674 -7.059 -2.324 362 HB2 GLU 49 2HB GLU 49 -10.757 -4.646 -0.870 363 HB3 GLU 49 1HB GLU 49 -11.594 -5.575 -2.105 364 HG2 GLU 49 2HG GLU 49 -11.586 -7.529 -0.629 365 HG3 GLU 49 1HG GLU 49 -10.769 -6.577 0.610 366 H ILE 50 H ILE 50 -7.870 -4.200 -1.530 367 HA ILE 50 HA ILE 50 -8.288 -2.729 -3.890 368 HB ILE 50 HB ILE 50 -6.048 -2.786 -1.886 369 HG12 ILE 50 2HG1 ILE 50 -7.034 -1.020 -0.920 370 HG13 ILE 50 1HG1 ILE 50 -7.448 -0.266 -2.451 371 HG21 ILE 50 1HG2 ILE 50 -5.142 -0.746 -2.996 372 HG22 ILE 50 2HG2 ILE 50 -6.166 -1.121 -4.384 373 HG23 ILE 50 3HG2 ILE 50 -4.905 -2.249 -3.884 374 HD11 ILE 50 3HD1 ILE 50 -8.946 -2.536 -1.190 375 HD12 ILE 50 1HD1 ILE 50 -9.426 -1.605 -2.607 376 HD13 ILE 50 2HD1 ILE 50 -9.379 -0.832 -1.021 377 H ILE 51 H ILE 51 -5.500 -4.863 -3.081 378 HA ILE 51 HA ILE 51 -4.476 -4.675 -5.754 379 HB ILE 51 HB ILE 51 -2.982 -6.695 -5.044 380 HG12 ILE 51 2HG1 ILE 51 -4.637 -6.991 -2.955 381 HG13 ILE 51 1HG1 ILE 51 -2.925 -7.373 -2.818 382 HG21 ILE 51 1HG2 ILE 51 -2.781 -3.999 -3.709 383 HG22 ILE 51 2HG2 ILE 51 -2.159 -4.464 -5.293 384 HG23 ILE 51 3HG2 ILE 51 -1.476 -5.178 -3.832 385 HD11 ILE 51 3HD1 ILE 51 -2.582 -5.091 -1.861 386 HD12 ILE 51 1HD1 ILE 51 -3.587 -6.159 -0.883 387 HD13 ILE 51 2HD1 ILE 51 -4.335 -4.887 -1.848 388 H ASP 52 H ASP 52 -6.549 -6.857 -4.014 389 HA ASP 52 HA ASP 52 -6.574 -8.803 -6.143 390 HB2 ASP 52 2HB ASP 52 -7.099 -9.090 -3.536 391 HB3 ASP 52 1HB ASP 52 -8.736 -8.720 -4.076 392 H GLN 53 H GLN 53 -7.111 -7.100 -7.768 393 HA GLN 53 HA GLN 53 -9.404 -5.590 -7.973 394 HB2 GLN 53 2HB GLN 53 -7.664 -5.466 -9.641 395 HB3 GLN 53 1HB GLN 53 -7.911 -7.143 -10.097 396 HG2 GLN 53 2HG GLN 53 -8.867 -5.818 -11.801 397 HG3 GLN 53 1HG GLN 53 -10.204 -6.498 -10.875 398 HE21 GLN 53 1HE2 GLN 53 -11.614 -4.882 -11.546 399 HE22 GLN 53 2HE2 GLN 53 -11.508 -3.262 -10.951 400 H ASP 54 H ASP 54 -8.927 -8.921 -8.875 401 HA ASP 54 HA ASP 54 -11.716 -9.363 -9.547 402 HB2 ASP 54 2HB ASP 54 -10.089 -10.431 -10.936 403 HB3 ASP 54 1HB ASP 54 -9.250 -11.108 -9.551 404 H LYS 55 H LYS 55 -9.876 -9.385 -6.770 405 HA LYS 55 HA LYS 55 -10.090 -10.200 -4.671 406 HB2 LYS 55 2HB LYS 55 -12.326 -9.702 -3.679 407 HB3 LYS 55 1HB LYS 55 -11.554 -8.380 -4.533 408 HG2 LYS 55 2HG LYS 55 -13.013 -9.051 -6.520 409 HG3 LYS 55 1HG LYS 55 -13.929 -10.007 -5.351 410 HD2 LYS 55 2HD LYS 55 -13.359 -7.060 -5.125 411 HD3 LYS 55 1HD LYS 55 -14.882 -7.753 -5.692 412 HE2 LYS 55 2HE LYS 55 -13.659 -8.161 -2.961 413 HE3 LYS 55 1HE LYS 55 -14.989 -7.068 -3.334 414 HZ1 LYS 55 3HZ LYS 55 -15.880 -9.072 -2.442 415 HZ2 LYS 55 1HZ LYS 55 -15.006 -10.029 -3.529 416 HZ3 LYS 55 2HZ LYS 55 -16.256 -9.040 -4.089 417 H SER 56 H SER 56 -9.589 -12.373 -5.511 418 HA SER 56 HA SER 56 -11.736 -14.233 -4.748 419 HB2 SER 56 2HB SER 56 -9.592 -14.766 -6.814 420 HB3 SER 56 1HB SER 56 -10.963 -15.801 -6.414 421 HG SER 56 HG SER 56 -10.900 -13.925 -8.241 422 H ASP 57 H ASP 57 -9.631 -12.969 -3.176 423 HA ASP 57 HA ASP 57 -8.323 -13.496 -1.408 424 HB2 ASP 57 2HB ASP 57 -9.098 -16.338 -2.077 425 HB3 ASP 57 1HB ASP 57 -8.115 -15.896 -0.687 426 H PHE 58 H PHE 58 -7.545 -13.787 -4.416 427 HA PHE 58 HA PHE 58 -4.745 -14.354 -3.862 428 HB2 PHE 58 2HB PHE 58 -6.359 -15.767 -5.992 429 HB3 PHE 58 1HB PHE 58 -4.603 -15.675 -6.029 430 HD1 PHE 58 2HD PHE 58 -3.264 -16.820 -4.320 431 HD2 PHE 58 1HD PHE 58 -7.494 -17.237 -4.494 432 HE1 PHE 58 2HE PHE 58 -3.124 -18.806 -2.874 433 HE2 PHE 58 1HE PHE 58 -7.363 -19.221 -3.046 434 HZ PHE 58 HZ PHE 58 -5.176 -20.008 -2.235 435 H VAL 59 H VAL 59 -3.472 -12.896 -4.807 436 HA VAL 59 HA VAL 59 -4.772 -10.964 -6.609 437 HB VAL 59 HB VAL 59 -2.535 -10.541 -4.648 438 HG11 VAL 59 1HG1 VAL 59 -2.642 -9.114 -6.746 439 HG12 VAL 59 2HG1 VAL 59 -2.521 -8.331 -5.178 440 HG13 VAL 59 3HG1 VAL 59 -4.076 -8.397 -6.001 441 HG21 VAL 59 3HG2 VAL 59 -4.611 -10.962 -3.492 442 HG22 VAL 59 1HG2 VAL 59 -5.425 -9.754 -4.485 443 HG23 VAL 59 2HG2 VAL 59 -4.167 -9.261 -3.353 444 H GLU 60 H GLU 60 -4.114 -11.572 -8.634 445 HA GLU 60 HA GLU 60 -1.305 -12.258 -9.083 446 HB2 GLU 60 2HB GLU 60 -3.641 -12.304 -11.000 447 HB3 GLU 60 1HB GLU 60 -2.025 -12.919 -11.326 448 HG2 GLU 60 2HG GLU 60 -2.298 -14.569 -9.544 449 HG3 GLU 60 1HG GLU 60 -3.923 -13.960 -9.238 450 H GLU 61 H GLU 61 -0.422 -11.384 -11.295 451 HA GLU 61 HA GLU 61 -0.084 -8.594 -11.033 452 HB2 GLU 61 2HB GLU 61 1.677 -9.839 -12.021 453 HB3 GLU 61 1HB GLU 61 0.605 -10.533 -13.225 454 HG2 GLU 61 2HG GLU 61 0.339 -8.303 -14.236 455 HG3 GLU 61 1HG GLU 61 1.499 -7.662 -13.073 456 H ASP 62 H ASP 62 -2.120 -10.549 -13.141 457 HA ASP 62 HA ASP 62 -3.105 -8.676 -14.914 458 HB2 ASP 62 2HB ASP 62 -4.549 -10.942 -13.529 459 HB3 ASP 62 1HB ASP 62 -5.275 -9.988 -14.814 460 H GLU 63 H GLU 63 -3.714 -9.053 -11.545 461 HA GLU 63 HA GLU 63 -6.001 -7.293 -11.521 462 HB2 GLU 63 2HB GLU 63 -4.494 -8.668 -9.294 463 HB3 GLU 63 1HB GLU 63 -6.006 -7.781 -9.108 464 HG2 GLU 63 2HG GLU 63 -7.088 -9.324 -10.671 465 HG3 GLU 63 1HG GLU 63 -5.587 -10.242 -10.782 466 H LEU 64 H LEU 64 -2.628 -7.263 -10.451 467 HA LEU 64 HA LEU 64 -2.591 -4.765 -9.217 468 HB2 LEU 64 2HB LEU 64 -0.539 -6.478 -10.519 469 HB3 LEU 64 1HB LEU 64 -0.121 -4.808 -10.203 470 HG LEU 64 HG LEU 64 0.666 -6.268 -8.425 471 HD11 LEU 64 1HD1 LEU 64 -0.210 -5.069 -6.527 472 HD12 LEU 64 2HD1 LEU 64 -1.599 -4.536 -7.473 473 HD13 LEU 64 3HD1 LEU 64 0.018 -3.967 -7.885 474 HD21 LEU 64 3HD2 LEU 64 -2.235 -6.934 -7.985 475 HD22 LEU 64 1HD2 LEU 64 -0.896 -7.421 -6.948 476 HD23 LEU 64 2HD2 LEU 64 -0.998 -8.031 -8.600 477 H LYS 65 H LYS 65 -2.940 -5.580 -12.516 478 HA LYS 65 HA LYS 65 -1.946 -3.198 -13.628 479 HB2 LYS 65 2HB LYS 65 -3.926 -5.221 -14.630 480 HB3 LYS 65 1HB LYS 65 -3.497 -3.797 -15.568 481 HG2 LYS 65 2HG LYS 65 -1.710 -6.059 -14.724 482 HG3 LYS 65 1HG LYS 65 -2.156 -5.564 -16.361 483 HD2 LYS 65 2HD LYS 65 -1.037 -3.338 -15.815 484 HD3 LYS 65 1HD LYS 65 -0.371 -4.155 -14.401 485 HE2 LYS 65 2HE LYS 65 1.113 -4.055 -16.409 486 HE3 LYS 65 1HE LYS 65 0.864 -5.663 -15.722 487 HZ1 LYS 65 3HZ LYS 65 0.740 -5.691 -18.133 488 HZ2 LYS 65 1HZ LYS 65 -0.519 -4.562 -18.112 489 HZ3 LYS 65 2HZ LYS 65 -0.754 -6.105 -17.464 490 H LEU 66 H LEU 66 -5.336 -4.136 -12.983 491 HA LEU 66 HA LEU 66 -6.004 -1.292 -13.230 492 HB2 LEU 66 2HB LEU 66 -7.805 -3.704 -13.389 493 HB3 LEU 66 1HB LEU 66 -8.347 -2.039 -13.498 494 HG LEU 66 HG LEU 66 -8.235 -2.588 -15.720 495 HD11 LEU 66 1HD1 LEU 66 -5.436 -1.642 -15.092 496 HD12 LEU 66 2HD1 LEU 66 -6.849 -0.634 -15.412 497 HD13 LEU 66 3HD1 LEU 66 -6.176 -1.639 -16.694 498 HD21 LEU 66 3HD2 LEU 66 -7.429 -4.845 -15.450 499 HD22 LEU 66 1HD2 LEU 66 -5.799 -4.256 -15.125 500 HD23 LEU 66 2HD2 LEU 66 -6.515 -4.034 -16.719 501 H PHE 67 H PHE 67 -5.153 -3.245 -10.827 502 HA PHE 67 HA PHE 67 -7.172 -3.036 -8.894 503 HB2 PHE 67 2HB PHE 67 -5.649 -3.877 -7.429 504 HB3 PHE 67 1HB PHE 67 -4.718 -4.167 -8.888 505 HD1 PHE 67 1HD PHE 67 -2.792 -2.746 -9.422 506 HD2 PHE 67 2HD PHE 67 -4.979 -2.257 -5.820 507 HE1 PHE 67 1HE PHE 67 -0.931 -1.452 -8.475 508 HE2 PHE 67 2HE PHE 67 -3.125 -0.956 -4.861 509 HZ PHE 67 HZ PHE 67 -1.093 -0.553 -6.189 510 H LEU 68 H LEU 68 -4.968 -0.735 -10.205 511 HA LEU 68 HA LEU 68 -5.026 1.304 -8.305 512 HB2 LEU 68 2HB LEU 68 -4.911 1.522 -11.316 513 HB3 LEU 68 1HB LEU 68 -4.592 2.840 -10.218 514 HG LEU 68 HG LEU 68 -2.505 2.081 -10.997 515 HD11 LEU 68 1HD1 LEU 68 -1.381 1.304 -8.974 516 HD12 LEU 68 2HD1 LEU 68 -2.944 0.934 -8.249 517 HD13 LEU 68 3HD1 LEU 68 -2.523 2.604 -8.634 518 HD21 LEU 68 3HD2 LEU 68 -3.322 -0.116 -11.814 519 HD22 LEU 68 1HD2 LEU 68 -3.226 -0.716 -10.157 520 HD23 LEU 68 2HD2 LEU 68 -1.763 -0.191 -10.987 521 H GLN 69 H GLN 69 -7.039 0.869 -11.178 522 HA GLN 69 HA GLN 69 -8.768 3.036 -10.726 523 HB2 GLN 69 2HB GLN 69 -9.402 0.442 -12.147 524 HB3 GLN 69 1HB GLN 69 -10.234 1.976 -12.351 525 HG2 GLN 69 2HG GLN 69 -8.243 2.952 -13.333 526 HG3 GLN 69 1HG GLN 69 -7.359 1.445 -13.071 527 HE21 GLN 69 1HE2 GLN 69 -7.975 2.899 -15.554 528 HE22 GLN 69 2HE2 GLN 69 -8.805 1.760 -16.562 529 H ASN 70 H ASN 70 -8.507 -0.045 -9.298 530 HA ASN 70 HA ASN 70 -11.229 -0.303 -8.412 531 HB2 ASN 70 2HB ASN 70 -9.827 -2.271 -8.712 532 HB3 ASN 70 1HB ASN 70 -8.682 -1.667 -7.523 533 HD21 ASN 70 1HD2 ASN 70 -8.855 -3.439 -6.242 534 HD22 ASN 70 2HD2 ASN 70 -10.260 -3.788 -5.299 535 H PHE 71 H PHE 71 -8.218 0.896 -7.074 536 HA PHE 71 HA PHE 71 -9.401 1.412 -4.489 537 HB2 PHE 71 2HB PHE 71 -7.006 0.670 -4.870 538 HB3 PHE 71 1HB PHE 71 -6.691 2.277 -5.506 539 HD1 PHE 71 1HD PHE 71 -8.878 1.550 -2.611 540 HD2 PHE 71 2HD PHE 71 -5.079 2.944 -3.927 541 HE1 PHE 71 1HE PHE 71 -8.373 2.308 -0.332 542 HE2 PHE 71 2HE PHE 71 -4.572 3.708 -1.644 543 HZ PHE 71 HZ PHE 71 -6.217 3.390 0.155 544 H SER 72 H SER 72 -8.252 3.249 -7.278 545 HA SER 72 HA SER 72 -10.044 5.425 -6.611 546 HB2 SER 72 2HB SER 72 -7.056 5.880 -6.854 547 HB3 SER 72 1HB SER 72 -8.278 7.144 -6.720 548 HG SER 72 HG SER 72 -8.660 5.422 -4.736 549 H ALA 73 H ALA 73 -10.752 6.485 -8.409 550 HA ALA 73 HA ALA 73 -10.423 5.072 -10.854 551 HB1 ALA 73 1HB ALA 73 -11.863 7.672 -10.361 552 HB2 ALA 73 2HB ALA 73 -12.556 6.062 -10.163 553 HB3 ALA 73 3HB ALA 73 -12.053 6.615 -11.760 554 H GLY 74 H GLY 74 -8.881 7.864 -9.532 555 HA2 GLY 74 2HA GLY 74 -7.877 8.654 -12.178 556 HA3 GLY 74 1HA GLY 74 -7.768 9.614 -10.711 557 H ALA 75 H ALA 75 -6.989 6.238 -10.676 558 HA ALA 75 HA ALA 75 -4.243 6.902 -9.974 559 HB1 ALA 75 1HB ALA 75 -5.759 4.303 -9.831 560 HB2 ALA 75 2HB ALA 75 -5.433 5.407 -8.496 561 HB3 ALA 75 3HB ALA 75 -4.104 4.546 -9.272 562 H ARG 76 H ARG 76 -2.455 5.735 -10.911 563 HA ARG 76 HA ARG 76 -2.804 5.463 -13.785 564 HB2 ARG 76 2HB ARG 76 -0.235 5.600 -12.206 565 HB3 ARG 76 1HB ARG 76 -0.416 5.797 -13.942 566 HG2 ARG 76 2HG ARG 76 -1.562 7.656 -11.872 567 HG3 ARG 76 1HG ARG 76 -0.049 7.916 -12.742 568 HD2 ARG 76 2HD ARG 76 -2.738 7.587 -14.056 569 HD3 ARG 76 1HD ARG 76 -1.991 9.137 -13.685 570 HE ARG 76 HE ARG 76 -0.077 7.970 -15.134 571 HH11 ARG 76 1HH1 ARG 76 -3.524 8.223 -15.710 572 HH12 ARG 76 2HH1 ARG 76 -3.357 8.248 -17.437 573 HH21 ARG 76 1HH2 ARG 76 0.146 8.004 -17.398 574 HH22 ARG 76 2HH2 ARG 76 -1.267 8.127 -18.401 575 H ALA 77 H ALA 77 -2.725 3.513 -14.775 576 HA ALA 77 HA ALA 77 -2.468 1.105 -13.328 577 HB1 ALA 77 1HB ALA 77 -3.738 1.093 -15.365 578 HB2 ALA 77 2HB ALA 77 -2.359 0.004 -15.567 579 HB3 ALA 77 3HB ALA 77 -2.332 1.611 -16.297 580 H LEU 78 H LEU 78 -0.781 -0.102 -12.823 581 HA LEU 78 HA LEU 78 1.867 0.899 -13.365 582 HB2 LEU 78 2HB LEU 78 1.029 -1.602 -11.898 583 HB3 LEU 78 1HB LEU 78 2.611 -0.845 -11.848 584 HG LEU 78 HG LEU 78 0.050 0.275 -10.712 585 HD11 LEU 78 1HD1 LEU 78 2.572 -0.675 -9.373 586 HD12 LEU 78 2HD1 LEU 78 1.034 -1.536 -9.408 587 HD13 LEU 78 3HD1 LEU 78 1.160 0.010 -8.569 588 HD21 LEU 78 3HD2 LEU 78 1.461 2.091 -9.833 589 HD22 LEU 78 1HD2 LEU 78 1.381 2.093 -11.595 590 HD23 LEU 78 2HD2 LEU 78 2.815 1.472 -10.775 591 H SER 79 H SER 79 3.007 0.328 -15.101 592 HA SER 79 HA SER 79 2.350 -2.236 -16.382 593 HB2 SER 79 2HB SER 79 2.965 -0.965 -18.545 594 HB3 SER 79 1HB SER 79 1.399 -0.633 -17.805 595 HG SER 79 HG SER 79 3.342 0.973 -16.777 596 H ASP 80 H ASP 80 3.966 -3.574 -16.758 597 HA ASP 80 HA ASP 80 6.028 -4.438 -17.081 598 HB2 ASP 80 2HB ASP 80 6.357 -1.703 -18.207 599 HB3 ASP 80 1HB ASP 80 7.792 -2.697 -17.982 600 H ALA 81 H ALA 81 7.423 -1.326 -16.265 601 HA ALA 81 HA ALA 81 9.177 -2.775 -14.538 602 HB1 ALA 81 1HB ALA 81 10.047 -1.030 -15.995 603 HB2 ALA 81 2HB ALA 81 10.390 -0.663 -14.305 604 HB3 ALA 81 3HB ALA 81 9.085 0.178 -15.143 605 H GLU 82 H GLU 82 6.723 -0.218 -14.036 606 HA GLU 82 HA GLU 82 7.277 -0.042 -11.255 607 HB2 GLU 82 2HB GLU 82 5.182 1.243 -11.117 608 HB3 GLU 82 1HB GLU 82 6.275 1.848 -12.342 609 HG2 GLU 82 2HG GLU 82 4.176 -0.069 -13.173 610 HG3 GLU 82 1HG GLU 82 3.690 1.572 -12.759 611 H THR 83 H THR 83 5.072 -2.036 -13.146 612 HA THR 83 HA THR 83 3.704 -3.107 -10.910 613 HB THR 83 HB THR 83 4.202 -5.003 -13.090 614 HG1 THR 83 1HG THR 83 2.522 -2.992 -13.951 615 HG21 THR 83 3HG2 THR 83 2.409 -5.288 -11.454 616 HG22 THR 83 1HG2 THR 83 1.750 -5.119 -13.082 617 HG23 THR 83 2HG2 THR 83 1.694 -3.759 -11.961 618 H LYS 84 H LYS 84 6.663 -3.989 -12.614 619 HA LYS 84 HA LYS 84 7.185 -6.416 -11.330 620 HB2 LYS 84 2HB LYS 84 8.284 -5.562 -13.407 621 HB3 LYS 84 1HB LYS 84 9.207 -4.444 -12.416 622 HG2 LYS 84 2HG LYS 84 10.571 -6.339 -12.957 623 HG3 LYS 84 1HG LYS 84 10.198 -6.378 -11.234 624 HD2 LYS 84 2HD LYS 84 8.552 -8.082 -11.556 625 HD3 LYS 84 1HD LYS 84 8.657 -7.927 -13.310 626 HE2 LYS 84 2HE LYS 84 10.872 -8.868 -11.494 627 HE3 LYS 84 1HE LYS 84 9.846 -9.908 -12.479 628 HZ1 LYS 84 3HZ LYS 84 11.955 -9.505 -13.560 629 HZ2 LYS 84 1HZ LYS 84 11.709 -7.833 -13.501 630 HZ3 LYS 84 2HZ LYS 84 10.707 -8.801 -14.457 631 H VAL 85 H VAL 85 8.517 -3.183 -10.630 632 HA VAL 85 HA VAL 85 9.939 -4.006 -8.321 633 HB VAL 85 HB VAL 85 8.969 -1.224 -9.005 634 HG11 VAL 85 1HG1 VAL 85 10.833 -0.480 -7.592 635 HG12 VAL 85 2HG1 VAL 85 11.186 -2.158 -7.183 636 HG13 VAL 85 3HG1 VAL 85 9.659 -1.430 -6.683 637 HG21 VAL 85 3HG2 VAL 85 11.583 -2.571 -9.676 638 HG22 VAL 85 1HG2 VAL 85 11.175 -0.887 -10.000 639 HG23 VAL 85 2HG2 VAL 85 10.297 -2.180 -10.817 640 H PHE 86 H PHE 86 6.772 -2.496 -8.776 641 HA PHE 86 HA PHE 86 6.144 -2.091 -6.083 642 HB2 PHE 86 2HB PHE 86 4.942 -1.074 -7.994 643 HB3 PHE 86 1HB PHE 86 4.261 -2.637 -8.387 644 HD1 PHE 86 1HD PHE 86 4.210 0.160 -6.033 645 HD2 PHE 86 2HD PHE 86 2.464 -3.581 -7.057 646 HE1 PHE 86 1HE PHE 86 2.339 0.623 -4.507 647 HE2 PHE 86 2HE PHE 86 0.588 -3.125 -5.532 648 HZ PHE 86 HZ PHE 86 0.523 -1.020 -4.255 649 H LEU 87 H LEU 87 5.544 -4.880 -8.209 650 HA LEU 87 HA LEU 87 4.136 -6.431 -6.333 651 HB2 LEU 87 2HB LEU 87 5.849 -7.193 -8.688 652 HB3 LEU 87 1HB LEU 87 5.056 -8.395 -7.690 653 HG LEU 87 HG LEU 87 3.615 -6.225 -9.219 654 HD11 LEU 87 1HD1 LEU 87 4.699 -7.815 -10.722 655 HD12 LEU 87 2HD1 LEU 87 2.946 -8.000 -10.748 656 HD13 LEU 87 3HD1 LEU 87 3.941 -9.153 -9.859 657 HD21 LEU 87 3HD2 LEU 87 2.252 -6.848 -7.402 658 HD22 LEU 87 1HD2 LEU 87 2.686 -8.551 -7.555 659 HD23 LEU 87 2HD2 LEU 87 1.663 -7.792 -8.769 660 H LYS 88 H LYS 88 7.594 -6.430 -7.183 661 HA LYS 88 HA LYS 88 8.334 -8.396 -5.312 662 HB2 LYS 88 2HB LYS 88 9.949 -6.266 -6.706 663 HB3 LYS 88 1HB LYS 88 10.665 -7.484 -5.660 664 HG2 LYS 88 2HG LYS 88 9.075 -8.067 -8.144 665 HG3 LYS 88 1HG LYS 88 10.836 -8.064 -8.032 666 HD2 LYS 88 2HD LYS 88 10.593 -9.780 -6.199 667 HD3 LYS 88 1HD LYS 88 8.896 -9.909 -6.658 668 HE2 LYS 88 2HE LYS 88 10.102 -11.659 -7.761 669 HE3 LYS 88 1HE LYS 88 9.627 -10.469 -8.969 670 HZ1 LYS 88 3HZ LYS 88 11.839 -9.590 -8.983 671 HZ2 LYS 88 1HZ LYS 88 11.935 -11.262 -9.208 672 HZ3 LYS 88 2HZ LYS 88 12.307 -10.588 -7.705 673 H ALA 89 H ALA 89 7.627 -5.068 -4.870 674 HA ALA 89 HA ALA 89 9.098 -4.496 -2.558 675 HB1 ALA 89 1HB ALA 89 6.313 -3.584 -3.287 676 HB2 ALA 89 2HB ALA 89 7.822 -2.786 -3.735 677 HB3 ALA 89 3HB ALA 89 7.331 -2.861 -2.041 678 H GLY 90 H GLY 90 6.171 -6.342 -3.061 679 HA2 GLY 90 2HA GLY 90 6.120 -6.972 -0.173 680 HA3 GLY 90 1HA GLY 90 4.692 -6.972 -1.201 681 H ASP 91 H ASP 91 5.493 -8.330 -3.386 682 HA ASP 91 HA ASP 91 5.303 -11.041 -2.644 683 HB2 ASP 91 2HB ASP 91 4.635 -10.098 -4.853 684 HB3 ASP 91 1HB ASP 91 6.343 -9.907 -5.251 685 H SER 92 H SER 92 6.926 -11.926 -1.414 686 HA SER 92 HA SER 92 9.686 -11.175 -2.035 687 HB2 SER 92 2HB SER 92 10.211 -12.256 0.156 688 HB3 SER 92 1HB SER 92 9.070 -10.918 0.287 689 HG SER 92 HG SER 92 7.372 -12.514 0.303 690 H ASP 93 H ASP 93 7.475 -13.771 -2.344 691 HA ASP 93 HA ASP 93 9.543 -15.783 -2.605 692 HB2 ASP 93 2HB ASP 93 7.778 -17.375 -2.962 693 HB3 ASP 93 1HB ASP 93 7.317 -16.332 -1.626 694 H GLY 94 H GLY 94 8.250 -13.434 -4.555 695 HA2 GLY 94 2HA GLY 94 8.840 -12.822 -6.676 696 HA3 GLY 94 1HA GLY 94 9.980 -14.155 -6.671 697 H ASP 95 H ASP 95 6.419 -14.044 -6.522 698 HA ASP 95 HA ASP 95 6.433 -15.886 -8.819 699 HB2 ASP 95 2HB ASP 95 4.467 -16.907 -8.032 700 HB3 ASP 95 1HB ASP 95 5.455 -16.685 -6.594 701 H GLY 96 H GLY 96 5.742 -12.741 -7.878 702 HA2 GLY 96 2HA GLY 96 5.168 -11.053 -9.419 703 HA3 GLY 96 1HA GLY 96 4.496 -12.278 -10.486 704 H LYS 97 H LYS 97 3.728 -12.074 -7.104 705 HA LYS 97 HA LYS 97 1.038 -11.029 -7.697 706 HB2 LYS 97 2HB LYS 97 0.131 -13.066 -7.459 707 HB3 LYS 97 1HB LYS 97 1.713 -13.770 -7.164 708 HG2 LYS 97 2HG LYS 97 1.492 -13.130 -4.762 709 HG3 LYS 97 1HG LYS 97 -0.164 -12.608 -5.118 710 HD2 LYS 97 2HD LYS 97 0.968 -15.391 -5.247 711 HD3 LYS 97 1HD LYS 97 -0.348 -14.792 -4.240 712 HE2 LYS 97 2HE LYS 97 -1.574 -15.843 -5.848 713 HE3 LYS 97 1HE LYS 97 -1.419 -14.262 -6.608 714 HZ1 LYS 97 3HZ LYS 97 0.201 -16.680 -7.180 715 HZ2 LYS 97 1HZ LYS 97 0.544 -15.150 -7.813 716 HZ3 LYS 97 2HZ LYS 97 -0.902 -15.926 -8.217 717 H ILE 98 H ILE 98 0.074 -10.014 -6.010 718 HA ILE 98 HA ILE 98 1.825 -9.432 -3.762 719 HB ILE 98 HB ILE 98 -0.741 -8.163 -4.690 720 HG12 ILE 98 2HG1 ILE 98 1.290 -7.518 -5.903 721 HG13 ILE 98 1HG1 ILE 98 0.670 -6.171 -4.961 722 HG21 ILE 98 1HG2 ILE 98 -0.514 -6.592 -2.825 723 HG22 ILE 98 2HG2 ILE 98 0.842 -7.534 -2.207 724 HG23 ILE 98 3HG2 ILE 98 -0.772 -8.243 -2.262 725 HD11 ILE 98 3HD1 ILE 98 3.029 -6.184 -4.732 726 HD12 ILE 98 1HD1 ILE 98 3.045 -7.902 -4.338 727 HD13 ILE 98 2HD1 ILE 98 2.355 -6.743 -3.204 728 H GLY 99 H GLY 99 1.693 -11.295 -2.540 729 HA2 GLY 99 2HA GLY 99 -0.725 -12.292 -1.470 730 HA3 GLY 99 1HA GLY 99 0.851 -12.353 -0.671 731 H VAL 100 H VAL 100 -1.948 -11.543 0.257 732 HA VAL 100 HA VAL 100 -1.962 -8.749 0.591 733 HB VAL 100 HB VAL 100 -3.327 -10.908 2.169 734 HG11 VAL 100 1HG1 VAL 100 -3.924 -7.956 2.114 735 HG12 VAL 100 2HG1 VAL 100 -3.163 -8.819 3.449 736 HG13 VAL 100 3HG1 VAL 100 -4.825 -9.191 2.995 737 HG21 VAL 100 3HG2 VAL 100 -5.242 -10.374 0.767 738 HG22 VAL 100 1HG2 VAL 100 -3.858 -10.861 -0.210 739 HG23 VAL 100 2HG2 VAL 100 -4.287 -9.155 -0.082 740 H ASP 101 H ASP 101 -0.844 -11.366 2.668 741 HA ASP 101 HA ASP 101 0.130 -9.700 4.738 742 HB2 ASP 101 2HB ASP 101 -0.263 -12.079 5.097 743 HB3 ASP 101 1HB ASP 101 0.971 -12.484 3.911 744 H GLU 102 H GLU 102 1.498 -10.878 1.716 745 HA GLU 102 HA GLU 102 4.133 -9.936 2.012 746 HB2 GLU 102 2HB GLU 102 2.463 -10.047 -0.524 747 HB3 GLU 102 1HB GLU 102 4.209 -9.865 -0.458 748 HG2 GLU 102 2HG GLU 102 2.712 -12.275 0.550 749 HG3 GLU 102 1HG GLU 102 3.451 -12.142 -1.041 750 H PHE 103 H PHE 103 1.186 -8.390 0.826 751 HA PHE 103 HA PHE 103 2.314 -5.908 0.112 752 HB2 PHE 103 2HB PHE 103 0.002 -6.874 -0.487 753 HB3 PHE 103 1HB PHE 103 -0.519 -6.274 1.081 754 HD1 PHE 103 2HD PHE 103 0.990 -5.204 -2.131 755 HD2 PHE 103 1HD PHE 103 -1.189 -4.052 1.331 756 HE1 PHE 103 2HE PHE 103 0.577 -3.000 -3.133 757 HE2 PHE 103 1HE PHE 103 -1.611 -1.843 0.330 758 HZ PHE 103 HZ PHE 103 -0.725 -1.314 -1.901 759 H GLY 104 H GLY 104 0.732 -7.029 3.081 760 HA2 GLY 104 2HA GLY 104 0.810 -4.649 4.532 761 HA3 GLY 104 1HA GLY 104 0.854 -6.258 5.239 762 H ALA 105 H ALA 105 3.324 -7.001 3.908 763 HA ALA 105 HA ALA 105 5.193 -6.024 5.802 764 HB1 ALA 105 1HB ALA 105 5.703 -7.533 3.240 765 HB2 ALA 105 2HB ALA 105 5.365 -8.258 4.810 766 HB3 ALA 105 3HB ALA 105 6.842 -7.326 4.570 767 H MET 106 H MET 106 4.591 -5.277 2.376 768 HA MET 106 HA MET 106 6.871 -3.571 2.136 769 HB2 MET 106 2HB MET 106 6.246 -3.213 -0.044 770 HB3 MET 106 1HB MET 106 5.403 -4.723 0.259 771 HG2 MET 106 2HG MET 106 3.328 -3.656 0.442 772 HG3 MET 106 1HG MET 106 4.067 -2.072 0.646 773 HE1 MET 106 3HE MET 106 4.633 -4.953 -2.128 774 HE2 MET 106 1HE MET 106 3.511 -4.323 -3.337 775 HE3 MET 106 2HE MET 106 2.911 -4.837 -1.760 776 H ILE 107 H ILE 107 3.757 -3.191 3.456 777 HA ILE 107 HA ILE 107 3.650 -0.315 3.196 778 HB ILE 107 HB ILE 107 1.966 -2.228 4.839 779 HG12 ILE 107 2HG1 ILE 107 1.340 -0.785 2.255 780 HG13 ILE 107 1HG1 ILE 107 1.767 -2.490 2.383 781 HG21 ILE 107 1HG2 ILE 107 1.558 0.702 4.273 782 HG22 ILE 107 2HG2 ILE 107 1.971 -0.018 5.828 783 HG23 ILE 107 3HG2 ILE 107 0.409 -0.360 5.086 784 HD11 ILE 107 3HD1 ILE 107 -0.641 -1.188 3.627 785 HD12 ILE 107 1HD1 ILE 107 -0.223 -2.899 3.714 786 HD13 ILE 107 2HD1 ILE 107 -0.634 -2.169 2.162 787 H LYS 108 H LYS 108 4.628 -2.711 5.507 788 HA LYS 108 HA LYS 108 4.959 -0.742 7.612 789 HB2 LYS 108 2HB LYS 108 3.944 -2.871 8.162 790 HB3 LYS 108 1HB LYS 108 5.340 -3.740 7.541 791 HG2 LYS 108 2HG LYS 108 5.775 -1.793 9.740 792 HG3 LYS 108 1HG LYS 108 4.970 -3.314 10.122 793 HD2 LYS 108 2HD LYS 108 7.608 -3.122 8.677 794 HD3 LYS 108 1HD LYS 108 7.460 -3.337 10.424 795 HE2 LYS 108 2HE LYS 108 6.429 -5.206 8.288 796 HE3 LYS 108 1HE LYS 108 7.834 -5.471 9.319 797 HZ1 LYS 108 3HZ LYS 108 6.380 -5.511 11.242 798 HZ2 LYS 108 1HZ LYS 108 5.896 -6.674 10.116 799 HZ3 LYS 108 2HZ LYS 108 5.029 -5.233 10.267 800 H ALA 109 H ALA 109 6.826 -2.333 5.187 801 HA ALA 109 HA ALA 109 9.258 -1.167 6.366 802 HB1 ALA 109 1HB ALA 109 9.342 -3.594 6.583 803 HB2 ALA 109 2HB ALA 109 10.555 -3.022 5.437 804 HB3 ALA 109 3HB ALA 109 9.069 -3.766 4.849 Start of MODEL 17 1 H1 MET 1 1HT MET 1 -17.924 1.001 -3.312 2 H2 MET 1 2HT MET 1 -17.764 -0.605 -2.822 3 H3 MET 1 3HT MET 1 -16.790 0.590 -2.133 4 HA MET 1 HA MET 1 -19.729 0.408 -1.874 5 HB2 MET 1 2HB MET 1 -17.500 -0.273 0.043 6 HB3 MET 1 1HB MET 1 -19.158 -0.017 0.559 7 HG2 MET 1 2HG MET 1 -18.211 -2.128 -1.363 8 HG3 MET 1 1HG MET 1 -18.657 -2.378 0.322 9 HE1 MET 1 2HE MET 1 -21.112 -2.099 1.264 10 HE2 MET 1 3HE MET 1 -22.500 -1.633 0.280 11 HE3 MET 1 1HE MET 1 -21.220 -0.465 0.608 12 H ALA 2 H ALA 2 -16.976 1.766 -0.054 13 HA ALA 2 HA ALA 2 -17.855 4.463 -0.474 14 HB1 ALA 2 1HB ALA 2 -19.484 3.771 1.216 15 HB2 ALA 2 2HB ALA 2 -18.366 4.973 1.863 16 HB3 ALA 2 3HB ALA 2 -18.170 3.272 2.282 17 H PHE 3 H PHE 3 -16.086 5.648 -0.511 18 HA PHE 3 HA PHE 3 -13.576 4.623 0.402 19 HB2 PHE 3 2HB PHE 3 -14.311 7.376 -0.621 20 HB3 PHE 3 1HB PHE 3 -12.670 6.793 -0.365 21 HD1 PHE 3 2HD PHE 3 -12.076 4.570 -1.624 22 HD2 PHE 3 1HD PHE 3 -15.236 7.198 -2.719 23 HE1 PHE 3 2HE PHE 3 -12.038 3.657 -3.908 24 HE2 PHE 3 1HE PHE 3 -15.207 6.286 -5.004 25 HZ PHE 3 HZ PHE 3 -13.606 4.514 -5.601 26 H ALA 4 H ALA 4 -15.779 7.177 1.427 27 HA ALA 4 HA ALA 4 -16.025 8.334 3.365 28 HB1 ALA 4 1HB ALA 4 -16.662 6.031 4.020 29 HB2 ALA 4 2HB ALA 4 -16.045 6.995 5.360 30 HB3 ALA 4 3HB ALA 4 -15.016 5.778 4.606 31 H GLY 5 H GLY 5 -14.196 7.367 5.746 32 HA2 GLY 5 2HA GLY 5 -11.925 9.100 5.035 33 HA3 GLY 5 1HA GLY 5 -12.415 8.666 6.675 34 H ILE 6 H ILE 6 -12.636 5.961 4.776 35 HA ILE 6 HA ILE 6 -10.429 4.626 5.909 36 HB ILE 6 HB ILE 6 -12.078 3.964 3.459 37 HG12 ILE 6 2HG1 ILE 6 -13.286 3.960 5.615 38 HG13 ILE 6 1HG1 ILE 6 -13.174 2.347 4.917 39 HG21 ILE 6 1HG2 ILE 6 -11.157 1.707 3.587 40 HG22 ILE 6 2HG2 ILE 6 -10.085 2.212 4.896 41 HG23 ILE 6 3HG2 ILE 6 -9.892 2.898 3.279 42 HD11 ILE 6 3HD1 ILE 6 -11.523 3.447 7.179 43 HD12 ILE 6 1HD1 ILE 6 -11.286 1.865 6.435 44 HD13 ILE 6 2HD1 ILE 6 -12.790 2.226 7.280 45 H LEU 7 H LEU 7 -10.891 6.401 2.919 46 HA LEU 7 HA LEU 7 -8.031 6.835 2.927 47 HB2 LEU 7 2HB LEU 7 -7.758 6.497 0.535 48 HB3 LEU 7 1HB LEU 7 -8.240 5.019 1.330 49 HG LEU 7 HG LEU 7 -10.596 5.473 0.474 50 HD11 LEU 7 1HD1 LEU 7 -10.777 6.910 -1.504 51 HD12 LEU 7 2HD1 LEU 7 -9.117 7.455 -1.259 52 HD13 LEU 7 3HD1 LEU 7 -10.358 7.842 -0.068 53 HD21 LEU 7 3HD2 LEU 7 -8.400 5.072 -1.547 54 HD22 LEU 7 1HD2 LEU 7 -10.083 4.577 -1.722 55 HD23 LEU 7 2HD2 LEU 7 -9.068 3.821 -0.494 56 H ASN 8 H ASN 8 -7.403 8.791 2.054 57 HA ASN 8 HA ASN 8 -9.599 10.649 1.486 58 HB2 ASN 8 2HB ASN 8 -6.676 11.173 2.085 59 HB3 ASN 8 1HB ASN 8 -7.872 12.419 1.746 60 HD21 ASN 8 1HD2 ASN 8 -9.917 10.799 3.240 61 HD22 ASN 8 2HD2 ASN 8 -9.579 11.119 4.906 62 H ASP 9 H ASP 9 -10.128 10.679 -0.551 63 HA ASP 9 HA ASP 9 -8.843 9.571 -2.693 64 HB2 ASP 9 2HB ASP 9 -11.119 10.142 -2.939 65 HB3 ASP 9 1HB ASP 9 -10.827 11.828 -2.534 66 H ALA 10 H ALA 10 -8.507 12.846 -1.484 67 HA ALA 10 HA ALA 10 -6.949 13.900 -3.580 68 HB1 ALA 10 1HB ALA 10 -7.051 14.624 -0.650 69 HB2 ALA 10 2HB ALA 10 -8.041 15.308 -1.939 70 HB3 ALA 10 3HB ALA 10 -6.303 15.608 -1.912 71 H ASP 11 H ASP 11 -5.991 12.410 -0.484 72 HA ASP 11 HA ASP 11 -3.209 12.747 -0.968 73 HB2 ASP 11 2HB ASP 11 -4.763 11.160 1.055 74 HB3 ASP 11 1HB ASP 11 -3.007 11.065 0.965 75 H ILE 12 H ILE 12 -5.446 10.083 -1.356 76 HA ILE 12 HA ILE 12 -3.575 8.138 -2.144 77 HB ILE 12 HB ILE 12 -6.514 8.500 -2.485 78 HG12 ILE 12 2HG1 ILE 12 -6.561 6.295 -1.365 79 HG13 ILE 12 1HG1 ILE 12 -4.803 6.266 -1.377 80 HG21 ILE 12 1HG2 ILE 12 -5.855 7.689 -4.680 81 HG22 ILE 12 2HG2 ILE 12 -6.699 6.424 -3.785 82 HG23 ILE 12 3HG2 ILE 12 -4.942 6.375 -3.939 83 HD11 ILE 12 3HD1 ILE 12 -5.632 6.893 0.800 84 HD12 ILE 12 1HD1 ILE 12 -6.543 8.229 0.096 85 HD13 ILE 12 2HD1 ILE 12 -4.781 8.250 0.062 86 H THR 13 H THR 13 -5.489 10.452 -4.019 87 HA THR 13 HA THR 13 -4.471 9.774 -6.552 88 HB THR 13 HB THR 13 -5.656 12.353 -5.518 89 HG1 THR 13 1HG THR 13 -7.269 10.930 -5.539 90 HG21 THR 13 3HG2 THR 13 -6.036 12.957 -7.855 91 HG22 THR 13 1HG2 THR 13 -5.138 11.529 -8.377 92 HG23 THR 13 2HG2 THR 13 -4.314 12.821 -7.500 93 H ALA 14 H ALA 14 -3.358 12.042 -4.080 94 HA ALA 14 HA ALA 14 -1.422 13.387 -5.580 95 HB1 ALA 14 1HB ALA 14 -0.410 13.991 -3.454 96 HB2 ALA 14 2HB ALA 14 -1.339 12.735 -2.637 97 HB3 ALA 14 3HB ALA 14 -2.167 14.114 -3.361 98 H ALA 15 H ALA 15 -1.135 10.441 -3.612 99 HA ALA 15 HA ALA 15 1.634 10.066 -4.119 100 HB1 ALA 15 1HB ALA 15 1.326 7.859 -3.153 101 HB2 ALA 15 2HB ALA 15 -0.425 8.026 -3.282 102 HB3 ALA 15 3HB ALA 15 0.482 9.074 -2.192 103 H LEU 16 H LEU 16 -1.306 8.824 -5.641 104 HA LEU 16 HA LEU 16 -0.031 7.042 -7.423 105 HB2 LEU 16 2HB LEU 16 -2.706 8.417 -7.483 106 HB3 LEU 16 1HB LEU 16 -2.194 7.325 -8.753 107 HG LEU 16 HG LEU 16 -2.370 6.513 -5.851 108 HD11 LEU 16 1HD1 LEU 16 -4.385 6.168 -8.067 109 HD12 LEU 16 2HD1 LEU 16 -4.583 7.140 -6.608 110 HD13 LEU 16 3HD1 LEU 16 -4.463 5.384 -6.490 111 HD21 LEU 16 3HD2 LEU 16 -2.300 4.258 -6.753 112 HD22 LEU 16 1HD2 LEU 16 -0.879 5.165 -7.267 113 HD23 LEU 16 2HD2 LEU 16 -2.209 4.896 -8.394 114 H ALA 17 H ALA 17 -0.961 10.436 -7.719 115 HA ALA 17 HA ALA 17 -0.195 10.639 -10.466 116 HB1 ALA 17 1HB ALA 17 -0.560 13.027 -10.184 117 HB2 ALA 17 2HB ALA 17 -0.653 12.818 -8.435 118 HB3 ALA 17 3HB ALA 17 -1.886 12.104 -9.476 119 H ALA 18 H ALA 18 1.445 10.928 -7.434 120 HA ALA 18 HA ALA 18 3.690 12.410 -8.396 121 HB1 ALA 18 1HB ALA 18 4.743 11.804 -6.281 122 HB2 ALA 18 2HB ALA 18 3.457 10.640 -5.963 123 HB3 ALA 18 3HB ALA 18 3.092 12.365 -6.021 124 H CYS 19 H CYS 19 2.643 9.219 -8.709 125 HA CYS 19 HA CYS 19 5.322 8.332 -9.563 126 HB2 CYS 19 2HB CYS 19 2.987 6.612 -8.694 127 HB3 CYS 19 1HB CYS 19 4.612 6.056 -9.078 128 HG CYS 19 HG CYS 19 3.560 7.766 -6.325 129 H LYS 20 H LYS 20 3.091 9.801 -10.995 130 HA LYS 20 HA LYS 20 1.706 8.050 -12.721 131 HB2 LYS 20 2HB LYS 20 1.070 10.402 -12.183 132 HB3 LYS 20 1HB LYS 20 2.410 10.953 -13.175 133 HG2 LYS 20 2HG LYS 20 1.395 9.885 -15.127 134 HG3 LYS 20 1HG LYS 20 0.040 9.367 -14.124 135 HD2 LYS 20 2HD LYS 20 0.855 12.237 -14.597 136 HD3 LYS 20 1HD LYS 20 -0.463 11.408 -15.424 137 HE2 LYS 20 2HE LYS 20 -1.581 11.057 -13.264 138 HE3 LYS 20 1HE LYS 20 -0.269 11.910 -12.454 139 HZ1 LYS 20 3HZ LYS 20 -2.194 13.333 -12.836 140 HZ2 LYS 20 1HZ LYS 20 -2.064 13.089 -14.503 141 HZ3 LYS 20 2HZ LYS 20 -0.840 13.904 -13.667 142 H ALA 21 H ALA 21 4.811 9.668 -12.954 143 HA ALA 21 HA ALA 21 5.214 8.782 -15.691 144 HB1 ALA 21 1HB ALA 21 6.025 10.990 -15.023 145 HB2 ALA 21 2HB ALA 21 7.353 9.951 -15.539 146 HB3 ALA 21 3HB ALA 21 7.077 10.243 -13.822 147 H GLU 22 H GLU 22 6.314 7.020 -16.286 148 HA GLU 22 HA GLU 22 6.945 4.984 -14.474 149 HB2 GLU 22 2HB GLU 22 8.139 5.295 -17.228 150 HB3 GLU 22 1HB GLU 22 7.898 3.802 -16.333 151 HG2 GLU 22 2HG GLU 22 6.131 3.667 -17.739 152 HG3 GLU 22 1HG GLU 22 5.372 4.577 -16.434 153 H GLY 23 H GLY 23 8.524 4.926 -13.040 154 HA2 GLY 23 2HA GLY 23 10.916 4.854 -12.601 155 HA3 GLY 23 1HA GLY 23 11.098 6.201 -13.720 156 H SER 24 H SER 24 8.483 7.217 -12.416 157 HA SER 24 HA SER 24 9.826 8.675 -10.265 158 HB2 SER 24 2HB SER 24 8.680 9.987 -12.020 159 HB3 SER 24 1HB SER 24 7.161 9.190 -11.620 160 HG SER 24 HG SER 24 7.351 10.110 -9.507 161 H PHE 25 H PHE 25 8.711 5.860 -10.187 162 HA PHE 25 HA PHE 25 6.506 6.042 -8.347 163 HB2 PHE 25 2HB PHE 25 6.665 3.581 -8.231 164 HB3 PHE 25 1HB PHE 25 6.565 4.160 -9.891 165 HD1 PHE 25 1HD PHE 25 8.622 4.167 -11.304 166 HD2 PHE 25 2HD PHE 25 8.503 2.324 -7.471 167 HE1 PHE 25 1HE PHE 25 10.633 2.872 -11.868 168 HE2 PHE 25 2HE PHE 25 10.518 1.031 -8.027 169 HZ PHE 25 HZ PHE 25 11.585 1.302 -10.229 170 H ASP 26 H ASP 26 6.615 6.153 -6.226 171 HA ASP 26 HA ASP 26 9.121 5.341 -4.920 172 HB2 ASP 26 2HB ASP 26 7.328 7.681 -4.244 173 HB3 ASP 26 1HB ASP 26 8.561 7.063 -3.153 174 H HIS 27 H HIS 27 8.402 3.324 -4.496 175 HA HIS 27 HA HIS 27 5.998 2.378 -3.639 176 HB2 HIS 27 2HB HIS 27 7.614 0.765 -4.125 177 HB3 HIS 27 1HB HIS 27 8.819 1.526 -3.106 178 HD1 HIS 27 1HD HIS 27 5.728 -0.649 -2.858 179 HD2 HIS 27 2HD HIS 27 8.980 0.536 -0.556 180 HE1 HIS 27 1HE HIS 27 5.644 -2.061 -0.788 181 HE2 HIS 27 2HE HIS 27 7.586 -1.294 0.631 182 H LYS 28 H LYS 28 8.601 3.442 -1.548 183 HA LYS 28 HA LYS 28 7.163 2.863 0.832 184 HB2 LYS 28 2HB LYS 28 9.603 2.776 0.580 185 HB3 LYS 28 1HB LYS 28 9.612 4.518 0.346 186 HG2 LYS 28 2HG LYS 28 8.771 4.863 2.601 187 HG3 LYS 28 1HG LYS 28 8.710 3.117 2.852 188 HD2 LYS 28 2HD LYS 28 11.100 2.953 2.643 189 HD3 LYS 28 1HD LYS 28 11.220 4.658 2.204 190 HE2 LYS 28 2HE LYS 28 10.396 5.291 4.402 191 HE3 LYS 28 1HE LYS 28 10.218 3.596 4.840 192 HZ1 LYS 28 3HZ LYS 28 12.589 3.311 4.660 193 HZ2 LYS 28 1HZ LYS 28 12.255 4.584 5.721 194 HZ3 LYS 28 2HZ LYS 28 12.785 4.913 4.152 195 H ALA 29 H ALA 29 8.071 5.846 -0.861 196 HA ALA 29 HA ALA 29 6.840 7.668 0.850 197 HB1 ALA 29 1HB ALA 29 6.874 9.234 -0.985 198 HB2 ALA 29 2HB ALA 29 7.110 7.924 -2.139 199 HB3 ALA 29 3HB ALA 29 8.374 8.307 -0.972 200 H PHE 30 H PHE 30 5.528 5.689 -1.735 201 HA PHE 30 HA PHE 30 3.001 6.801 -1.991 202 HB2 PHE 30 2HB PHE 30 3.822 5.022 -3.456 203 HB3 PHE 30 1HB PHE 30 3.800 3.882 -2.117 204 HD1 PHE 30 2HD PHE 30 1.649 5.973 -4.278 205 HD2 PHE 30 1HD PHE 30 1.847 2.698 -1.569 206 HE1 PHE 30 2HE PHE 30 -0.667 5.365 -4.847 207 HE2 PHE 30 1HE PHE 30 -0.466 2.083 -2.133 208 HZ PHE 30 HZ PHE 30 -1.727 3.419 -3.773 209 H PHE 31 H PHE 31 3.915 4.064 0.157 210 HA PHE 31 HA PHE 31 1.329 4.009 1.327 211 HB2 PHE 31 2HB PHE 31 3.902 2.766 2.302 212 HB3 PHE 31 1HB PHE 31 2.315 2.470 3.007 213 HD1 PHE 31 1HD PHE 31 0.486 1.614 1.420 214 HD2 PHE 31 2HD PHE 31 4.643 1.425 0.554 215 HE1 PHE 31 1HE PHE 31 0.058 -0.175 -0.211 216 HE2 PHE 31 2HE PHE 31 4.224 -0.364 -1.077 217 HZ PHE 31 HZ PHE 31 1.931 -1.168 -1.462 218 H THR 32 H THR 32 4.321 5.613 2.326 219 HA THR 32 HA THR 32 3.250 6.291 4.895 220 HB THR 32 HB THR 32 5.649 6.046 4.676 221 HG1 THR 32 1HG THR 32 5.645 7.434 6.254 222 HG21 THR 32 3HG2 THR 32 5.996 6.801 2.405 223 HG22 THR 32 1HG2 THR 32 6.996 7.753 3.501 224 HG23 THR 32 2HG2 THR 32 5.510 8.441 2.843 225 H LYS 33 H LYS 33 3.364 7.868 1.780 226 HA LYS 33 HA LYS 33 2.431 10.395 2.816 227 HB2 LYS 33 2HB LYS 33 3.832 10.261 0.808 228 HB3 LYS 33 1HB LYS 33 2.582 9.348 -0.017 229 HG2 LYS 33 2HG LYS 33 1.069 11.317 0.260 230 HG3 LYS 33 1HG LYS 33 2.456 12.219 0.866 231 HD2 LYS 33 2HD LYS 33 2.617 10.817 -1.773 232 HD3 LYS 33 1HD LYS 33 1.800 12.373 -1.653 233 HE2 LYS 33 2HE LYS 33 4.041 12.811 -2.300 234 HE3 LYS 33 1HE LYS 33 3.892 13.285 -0.611 235 HZ1 LYS 33 3HZ LYS 33 5.947 12.069 -1.094 236 HZ2 LYS 33 1HZ LYS 33 5.043 10.715 -1.554 237 HZ3 LYS 33 2HZ LYS 33 4.991 11.266 0.045 238 H VAL 34 H VAL 34 1.086 7.537 1.324 239 HA VAL 34 HA VAL 34 -1.510 8.631 0.902 240 HB VAL 34 HB VAL 34 -0.170 6.467 -0.057 241 HG11 VAL 34 1HG1 VAL 34 -1.378 4.447 0.565 242 HG12 VAL 34 2HG1 VAL 34 -2.249 5.351 1.804 243 HG13 VAL 34 3HG1 VAL 34 -0.504 5.134 1.933 244 HG21 VAL 34 3HG2 VAL 34 -2.266 5.866 -1.174 245 HG22 VAL 34 1HG2 VAL 34 -1.934 7.597 -1.193 246 HG23 VAL 34 2HG2 VAL 34 -3.129 6.942 -0.075 247 H GLY 35 H GLY 35 0.120 7.153 3.560 248 HA2 GLY 35 2HA GLY 35 -0.553 7.271 5.792 249 HA3 GLY 35 1HA GLY 35 -2.175 7.683 5.259 250 H LEU 36 H LEU 36 -0.477 4.925 3.957 251 HA LEU 36 HA LEU 36 -2.638 3.246 4.968 252 HB2 LEU 36 2HB LEU 36 -1.723 3.353 2.526 253 HB3 LEU 36 1HB LEU 36 -0.472 2.291 3.138 254 HG LEU 36 HG LEU 36 -2.276 0.707 3.863 255 HD11 LEU 36 1HD1 LEU 36 -4.496 0.963 2.956 256 HD12 LEU 36 2HD1 LEU 36 -4.034 2.462 2.153 257 HD13 LEU 36 3HD1 LEU 36 -4.096 2.389 3.911 258 HD21 LEU 36 3HD2 LEU 36 -2.736 -0.115 1.581 259 HD22 LEU 36 1HD2 LEU 36 -1.040 0.294 1.833 260 HD23 LEU 36 2HD2 LEU 36 -2.087 1.390 0.933 261 H ALA 37 H ALA 37 0.512 4.023 5.840 262 HA ALA 37 HA ALA 37 1.438 1.420 6.619 263 HB1 ALA 37 1HB ALA 37 3.324 2.583 7.586 264 HB2 ALA 37 2HB ALA 37 2.484 4.126 7.439 265 HB3 ALA 37 3HB ALA 37 2.966 3.246 5.990 266 H ALA 38 H ALA 38 -0.465 3.888 8.133 267 HA ALA 38 HA ALA 38 -0.185 2.555 10.740 268 HB1 ALA 38 1HB ALA 38 -1.356 5.256 10.086 269 HB2 ALA 38 2HB ALA 38 0.256 4.955 10.736 270 HB3 ALA 38 3HB ALA 38 -1.170 4.572 11.701 271 H LYS 39 H LYS 39 -1.735 1.425 8.575 272 HA LYS 39 HA LYS 39 -4.503 1.905 9.281 273 HB2 LYS 39 2HB LYS 39 -3.178 0.197 7.195 274 HB3 LYS 39 1HB LYS 39 -4.912 0.130 7.498 275 HG2 LYS 39 2HG LYS 39 -3.348 2.567 6.667 276 HG3 LYS 39 1HG LYS 39 -4.392 1.591 5.629 277 HD2 LYS 39 2HD LYS 39 -6.294 2.128 7.128 278 HD3 LYS 39 1HD LYS 39 -5.228 3.199 8.037 279 HE2 LYS 39 2HE LYS 39 -4.938 4.631 6.159 280 HE3 LYS 39 1HE LYS 39 -5.750 3.487 5.089 281 HZ1 LYS 39 3HZ LYS 39 -7.228 5.276 5.679 282 HZ2 LYS 39 1HZ LYS 39 -7.005 4.972 7.330 283 HZ3 LYS 39 2HZ LYS 39 -7.787 3.827 6.355 284 H SER 40 H SER 40 -5.841 0.564 10.305 285 HA SER 40 HA SER 40 -4.702 -1.540 11.904 286 HB2 SER 40 2HB SER 40 -7.611 -0.742 11.650 287 HB3 SER 40 1HB SER 40 -6.850 -1.602 12.989 288 HG SER 40 HG SER 40 -5.460 0.492 12.933 289 HA PRO 41 HA PRO 41 -5.394 -5.236 9.655 290 HB2 PRO 41 2HB PRO 41 -7.497 -5.921 11.672 291 HB3 PRO 41 1HB PRO 41 -6.195 -6.926 11.023 292 HG2 PRO 41 2HG PRO 41 -5.946 -5.813 13.417 293 HG3 PRO 41 1HG PRO 41 -4.565 -5.879 12.306 294 HD2 PRO 41 2HD PRO 41 -6.260 -3.566 13.084 295 HD3 PRO 41 1HD PRO 41 -4.552 -3.607 12.608 296 H ALA 42 H ALA 42 -8.503 -3.896 10.809 297 HA ALA 42 HA ALA 42 -10.150 -5.132 8.927 298 HB1 ALA 42 1HB ALA 42 -10.984 -4.011 10.938 299 HB2 ALA 42 2HB ALA 42 -11.809 -3.446 9.485 300 HB3 ALA 42 3HB ALA 42 -10.563 -2.449 10.237 301 H ASP 43 H ASP 43 -8.409 -2.056 8.739 302 HA ASP 43 HA ASP 43 -9.601 -1.281 6.249 303 HB2 ASP 43 2HB ASP 43 -8.622 0.323 7.929 304 HB3 ASP 43 1HB ASP 43 -7.024 -0.256 7.473 305 H ILE 44 H ILE 44 -6.460 -2.612 7.231 306 HA ILE 44 HA ILE 44 -5.416 -2.851 4.631 307 HB ILE 44 HB ILE 44 -4.756 -4.209 7.224 308 HG12 ILE 44 2HG1 ILE 44 -4.034 -1.942 7.107 309 HG13 ILE 44 1HG1 ILE 44 -2.605 -2.946 6.878 310 HG21 ILE 44 1HG2 ILE 44 -2.801 -5.243 6.197 311 HG22 ILE 44 2HG2 ILE 44 -3.306 -4.653 4.614 312 HG23 ILE 44 3HG2 ILE 44 -4.285 -5.849 5.462 313 HD11 ILE 44 3HD1 ILE 44 -4.123 -1.441 4.768 314 HD12 ILE 44 1HD1 ILE 44 -2.828 -2.593 4.434 315 HD13 ILE 44 2HD1 ILE 44 -2.492 -1.131 5.359 316 H LYS 45 H LYS 45 -7.741 -4.756 6.348 317 HA LYS 45 HA LYS 45 -7.523 -7.109 4.778 318 HB2 LYS 45 2HB LYS 45 -8.709 -6.916 6.999 319 HB3 LYS 45 1HB LYS 45 -10.020 -6.111 6.145 320 HG2 LYS 45 2HG LYS 45 -10.552 -8.439 6.438 321 HG3 LYS 45 1HG LYS 45 -10.283 -8.106 4.725 322 HD2 LYS 45 2HD LYS 45 -7.949 -8.937 4.995 323 HD3 LYS 45 1HD LYS 45 -8.349 -9.393 6.650 324 HE2 LYS 45 2HE LYS 45 -9.671 -10.434 4.153 325 HE3 LYS 45 1HE LYS 45 -8.485 -11.298 5.129 326 HZ1 LYS 45 3HZ LYS 45 -10.673 -12.037 5.696 327 HZ2 LYS 45 1HZ LYS 45 -11.195 -10.457 5.988 328 HZ3 LYS 45 2HZ LYS 45 -10.048 -11.168 7.002 329 H LYS 46 H LYS 46 -9.721 -4.277 4.551 330 HA LYS 46 HA LYS 46 -10.824 -5.201 2.101 331 HB2 LYS 46 2HB LYS 46 -11.643 -2.855 1.789 332 HB3 LYS 46 1HB LYS 46 -12.129 -3.608 3.294 333 HG2 LYS 46 2HG LYS 46 -11.582 -1.463 3.932 334 HG3 LYS 46 1HG LYS 46 -10.119 -2.368 4.315 335 HD2 LYS 46 2HD LYS 46 -9.435 -0.348 3.267 336 HD3 LYS 46 1HD LYS 46 -9.204 -1.642 2.094 337 HE2 LYS 46 2HE LYS 46 -11.225 -1.027 0.942 338 HE3 LYS 46 1HE LYS 46 -11.609 0.175 2.174 339 HZ1 LYS 46 3HZ LYS 46 -9.292 0.235 0.325 340 HZ2 LYS 46 1HZ LYS 46 -9.574 1.361 1.552 341 HZ3 LYS 46 2HZ LYS 46 -10.653 1.233 0.255 342 H VAL 47 H VAL 47 -7.938 -3.496 2.963 343 HA VAL 47 HA VAL 47 -7.186 -2.668 0.375 344 HB VAL 47 HB VAL 47 -5.467 -3.379 2.753 345 HG11 VAL 47 1HG1 VAL 47 -4.173 -3.624 0.701 346 HG12 VAL 47 2HG1 VAL 47 -3.654 -2.201 1.605 347 HG13 VAL 47 3HG1 VAL 47 -4.677 -2.016 0.180 348 HG21 VAL 47 3HG2 VAL 47 -6.963 -1.451 3.056 349 HG22 VAL 47 1HG2 VAL 47 -6.282 -0.710 1.608 350 HG23 VAL 47 2HG2 VAL 47 -5.266 -0.971 3.025 351 H PHE 48 H PHE 48 -6.767 -5.737 2.107 352 HA PHE 48 HA PHE 48 -5.336 -7.167 0.214 353 HB2 PHE 48 2HB PHE 48 -5.756 -8.744 1.748 354 HB3 PHE 48 1HB PHE 48 -7.062 -7.794 2.428 355 HD1 PHE 48 2HD PHE 48 -6.415 -10.092 -0.469 356 HD2 PHE 48 1HD PHE 48 -9.151 -8.729 2.492 357 HE1 PHE 48 2HE PHE 48 -8.024 -11.807 -1.174 358 HE2 PHE 48 1HE PHE 48 -10.762 -10.449 1.792 359 HZ PHE 48 HZ PHE 48 -10.201 -11.989 -0.040 360 H GLU 49 H GLU 49 -8.763 -6.377 0.274 361 HA GLU 49 HA GLU 49 -9.345 -7.696 -2.190 362 HB2 GLU 49 2HB GLU 49 -10.889 -5.506 -0.787 363 HB3 GLU 49 1HB GLU 49 -11.509 -6.568 -2.046 364 HG2 GLU 49 2HG GLU 49 -11.148 -8.498 -0.572 365 HG3 GLU 49 1HG GLU 49 -10.582 -7.410 0.692 366 H ILE 50 H ILE 50 -7.904 -4.670 -1.424 367 HA ILE 50 HA ILE 50 -8.487 -3.276 -3.804 368 HB ILE 50 HB ILE 50 -6.298 -3.057 -1.761 369 HG12 ILE 50 2HG1 ILE 50 -7.519 -1.399 -0.893 370 HG13 ILE 50 1HG1 ILE 50 -7.824 -0.671 -2.460 371 HG21 ILE 50 1HG2 ILE 50 -6.489 -1.376 -4.246 372 HG22 ILE 50 2HG2 ILE 50 -5.225 -2.552 -3.878 373 HG23 ILE 50 3HG2 ILE 50 -5.399 -1.103 -2.887 374 HD11 ILE 50 3HD1 ILE 50 -9.831 -1.398 -1.163 375 HD12 ILE 50 1HD1 ILE 50 -9.294 -3.059 -1.422 376 HD13 ILE 50 2HD1 ILE 50 -9.716 -2.039 -2.802 377 H ILE 51 H ILE 51 -5.660 -5.323 -2.959 378 HA ILE 51 HA ILE 51 -4.594 -5.074 -5.611 379 HB ILE 51 HB ILE 51 -3.111 -7.117 -4.930 380 HG12 ILE 51 2HG1 ILE 51 -4.732 -7.458 -2.847 381 HG13 ILE 51 1HG1 ILE 51 -3.010 -7.778 -2.680 382 HG21 ILE 51 1HG2 ILE 51 -2.366 -4.803 -5.158 383 HG22 ILE 51 2HG2 ILE 51 -1.531 -5.659 -3.858 384 HG23 ILE 51 3HG2 ILE 51 -2.805 -4.493 -3.475 385 HD11 ILE 51 3HD1 ILE 51 -3.664 -6.580 -0.765 386 HD12 ILE 51 1HD1 ILE 51 -4.566 -5.387 -1.701 387 HD13 ILE 51 2HD1 ILE 51 -2.803 -5.425 -1.779 388 H ASP 52 H ASP 52 -6.772 -7.254 -3.980 389 HA ASP 52 HA ASP 52 -6.813 -9.056 -6.257 390 HB2 ASP 52 2HB ASP 52 -7.324 -9.679 -3.740 391 HB3 ASP 52 1HB ASP 52 -8.940 -9.088 -4.135 392 H GLN 53 H GLN 53 -7.335 -7.052 -7.627 393 HA GLN 53 HA GLN 53 -9.701 -5.583 -7.338 394 HB2 GLN 53 2HB GLN 53 -7.777 -4.915 -8.748 395 HB3 GLN 53 1HB GLN 53 -8.196 -6.178 -9.893 396 HG2 GLN 53 2HG GLN 53 -10.402 -4.371 -9.283 397 HG3 GLN 53 1HG GLN 53 -9.011 -3.579 -10.021 398 HE21 GLN 53 1HE2 GLN 53 -10.192 -3.161 -11.888 399 HE22 GLN 53 2HE2 GLN 53 -10.560 -4.399 -13.038 400 H ASP 54 H ASP 54 -9.075 -8.636 -8.906 401 HA ASP 54 HA ASP 54 -11.663 -8.827 -10.166 402 HB2 ASP 54 2HB ASP 54 -9.587 -10.961 -9.623 403 HB3 ASP 54 1HB ASP 54 -11.031 -11.191 -10.596 404 H LYS 55 H LYS 55 -10.452 -9.371 -7.016 405 HA LYS 55 HA LYS 55 -11.190 -10.466 -5.166 406 HB2 LYS 55 2HB LYS 55 -13.703 -9.740 -6.588 407 HB3 LYS 55 1HB LYS 55 -13.813 -10.760 -5.166 408 HG2 LYS 55 2HG LYS 55 -12.484 -8.063 -5.239 409 HG3 LYS 55 1HG LYS 55 -14.145 -8.343 -4.722 410 HD2 LYS 55 2HD LYS 55 -11.669 -9.514 -3.454 411 HD3 LYS 55 1HD LYS 55 -12.639 -8.192 -2.807 412 HE2 LYS 55 2HE LYS 55 -14.577 -9.713 -2.684 413 HE3 LYS 55 1HE LYS 55 -13.555 -11.031 -3.253 414 HZ1 LYS 55 3HZ LYS 55 -13.156 -9.489 -0.748 415 HZ2 LYS 55 1HZ LYS 55 -12.180 -10.765 -1.291 416 HZ3 LYS 55 2HZ LYS 55 -13.788 -11.055 -0.853 417 H SER 56 H SER 56 -9.977 -12.267 -6.302 418 HA SER 56 HA SER 56 -11.792 -14.515 -6.881 419 HB2 SER 56 2HB SER 56 -10.061 -15.283 -8.516 420 HB3 SER 56 1HB SER 56 -10.823 -13.754 -8.961 421 HG SER 56 HG SER 56 -8.295 -14.171 -8.800 422 H ASP 57 H ASP 57 -9.746 -13.376 -4.686 423 HA ASP 57 HA ASP 57 -8.719 -14.310 -2.890 424 HB2 ASP 57 2HB ASP 57 -9.422 -16.960 -4.162 425 HB3 ASP 57 1HB ASP 57 -8.630 -16.792 -2.600 426 H PHE 58 H PHE 58 -7.708 -14.443 -6.003 427 HA PHE 58 HA PHE 58 -4.950 -14.865 -5.079 428 HB2 PHE 58 2HB PHE 58 -5.984 -15.613 -7.826 429 HB3 PHE 58 1HB PHE 58 -4.317 -15.763 -7.265 430 HD1 PHE 58 2HD PHE 58 -3.813 -17.377 -5.413 431 HD2 PHE 58 1HD PHE 58 -7.561 -17.305 -7.423 432 HE1 PHE 58 2HE PHE 58 -4.292 -19.646 -4.595 433 HE2 PHE 58 1HE PHE 58 -8.048 -19.574 -6.609 434 HZ PHE 58 HZ PHE 58 -6.410 -20.748 -5.191 435 H VAL 59 H VAL 59 -3.604 -13.250 -5.532 436 HA VAL 59 HA VAL 59 -4.747 -10.955 -6.978 437 HB VAL 59 HB VAL 59 -2.798 -11.042 -4.693 438 HG11 VAL 59 1HG1 VAL 59 -3.944 -8.579 -5.891 439 HG12 VAL 59 2HG1 VAL 59 -2.380 -9.244 -6.368 440 HG13 VAL 59 3HG1 VAL 59 -2.652 -8.745 -4.698 441 HG21 VAL 59 3HG2 VAL 59 -5.093 -11.504 -4.034 442 HG22 VAL 59 1HG2 VAL 59 -5.603 -10.001 -4.800 443 HG23 VAL 59 2HG2 VAL 59 -4.528 -9.957 -3.400 444 H GLU 60 H GLU 60 -3.865 -11.352 -9.040 445 HA GLU 60 HA GLU 60 -0.987 -11.817 -9.229 446 HB2 GLU 60 2HB GLU 60 -3.169 -11.928 -11.305 447 HB3 GLU 60 1HB GLU 60 -1.464 -12.181 -11.659 448 HG2 GLU 60 2HG GLU 60 -1.418 -14.100 -10.173 449 HG3 GLU 60 1HG GLU 60 -3.110 -13.832 -9.755 450 H GLU 61 H GLU 61 0.233 -10.661 -10.982 451 HA GLU 61 HA GLU 61 0.190 -7.873 -10.584 452 HB2 GLU 61 2HB GLU 61 2.183 -9.155 -11.271 453 HB3 GLU 61 1HB GLU 61 1.449 -9.415 -12.845 454 HG2 GLU 61 2HG GLU 61 1.421 -6.974 -13.196 455 HG3 GLU 61 1HG GLU 61 2.269 -6.775 -11.666 456 H ASP 62 H ASP 62 -1.042 -9.860 -13.231 457 HA ASP 62 HA ASP 62 -1.875 -7.805 -14.940 458 HB2 ASP 62 2HB ASP 62 -2.767 -10.634 -14.513 459 HB3 ASP 62 1HB ASP 62 -3.689 -9.585 -15.586 460 H GLU 63 H GLU 63 -3.108 -8.893 -11.964 461 HA GLU 63 HA GLU 63 -5.677 -7.586 -12.245 462 HB2 GLU 63 2HB GLU 63 -5.635 -9.655 -11.054 463 HB3 GLU 63 1HB GLU 63 -4.315 -9.110 -10.034 464 HG2 GLU 63 2HG GLU 63 -5.751 -7.582 -8.900 465 HG3 GLU 63 1HG GLU 63 -7.069 -7.920 -10.029 466 H LEU 64 H LEU 64 -2.620 -7.183 -10.496 467 HA LEU 64 HA LEU 64 -3.277 -4.858 -9.095 468 HB2 LEU 64 2HB LEU 64 -0.768 -6.172 -9.885 469 HB3 LEU 64 1HB LEU 64 -0.660 -4.457 -9.530 470 HG LEU 64 HG LEU 64 -2.121 -5.354 -7.412 471 HD11 LEU 64 1HD1 LEU 64 -1.010 -7.346 -6.554 472 HD12 LEU 64 2HD1 LEU 64 -0.122 -7.502 -8.069 473 HD13 LEU 64 3HD1 LEU 64 -1.876 -7.676 -8.055 474 HD21 LEU 64 3HD2 LEU 64 0.870 -5.127 -7.651 475 HD22 LEU 64 1HD2 LEU 64 -0.040 -5.116 -6.141 476 HD23 LEU 64 2HD2 LEU 64 -0.264 -3.817 -7.314 477 H LYS 65 H LYS 65 -2.697 -5.384 -12.415 478 HA LYS 65 HA LYS 65 -1.939 -2.863 -13.273 479 HB2 LYS 65 2HB LYS 65 -3.166 -5.217 -14.436 480 HB3 LYS 65 1HB LYS 65 -3.795 -3.743 -15.156 481 HG2 LYS 65 2HG LYS 65 -1.884 -4.673 -16.376 482 HG3 LYS 65 1HG LYS 65 -1.589 -3.042 -15.778 483 HD2 LYS 65 2HD LYS 65 -0.238 -3.880 -13.984 484 HD3 LYS 65 1HD LYS 65 -0.654 -5.552 -14.385 485 HE2 LYS 65 2HE LYS 65 0.436 -5.317 -16.537 486 HE3 LYS 65 1HE LYS 65 0.818 -3.632 -16.181 487 HZ1 LYS 65 3HZ LYS 65 2.726 -5.000 -15.791 488 HZ2 LYS 65 1HZ LYS 65 1.855 -6.037 -14.778 489 HZ3 LYS 65 2HZ LYS 65 2.161 -4.443 -14.302 490 H LEU 66 H LEU 66 -5.210 -4.114 -12.648 491 HA LEU 66 HA LEU 66 -6.208 -1.383 -12.983 492 HB2 LEU 66 2HB LEU 66 -7.705 -3.994 -13.025 493 HB3 LEU 66 1HB LEU 66 -8.459 -2.415 -13.138 494 HG LEU 66 HG LEU 66 -8.364 -3.033 -15.351 495 HD11 LEU 66 1HD1 LEU 66 -7.314 -0.872 -15.135 496 HD12 LEU 66 2HD1 LEU 66 -6.536 -1.780 -16.432 497 HD13 LEU 66 3HD1 LEU 66 -5.740 -1.625 -14.862 498 HD21 LEU 66 3HD2 LEU 66 -6.450 -4.197 -16.393 499 HD22 LEU 66 1HD2 LEU 66 -7.192 -5.120 -15.086 500 HD23 LEU 66 2HD2 LEU 66 -5.672 -4.273 -14.814 501 H PHE 67 H PHE 67 -5.091 -3.109 -10.493 502 HA PHE 67 HA PHE 67 -7.181 -2.957 -8.600 503 HB2 PHE 67 2HB PHE 67 -5.697 -3.719 -7.068 504 HB3 PHE 67 1HB PHE 67 -4.732 -4.047 -8.486 505 HD1 PHE 67 2HD PHE 67 -5.226 -1.700 -5.692 506 HD2 PHE 67 1HD PHE 67 -2.622 -2.978 -8.787 507 HE1 PHE 67 2HE PHE 67 -3.407 -0.389 -4.690 508 HE2 PHE 67 1HE PHE 67 -0.792 -1.676 -7.794 509 HZ PHE 67 HZ PHE 67 -1.181 -0.375 -5.741 510 H LEU 68 H LEU 68 -5.074 -0.614 -9.951 511 HA LEU 68 HA LEU 68 -5.307 1.435 -8.042 512 HB2 LEU 68 2HB LEU 68 -5.057 1.763 -11.035 513 HB3 LEU 68 1HB LEU 68 -4.694 2.977 -9.830 514 HG LEU 68 HG LEU 68 -2.617 2.195 -10.587 515 HD11 LEU 68 1HD1 LEU 68 -1.610 1.131 -8.646 516 HD12 LEU 68 2HD1 LEU 68 -3.210 0.706 -8.039 517 HD13 LEU 68 3HD1 LEU 68 -2.739 2.402 -8.166 518 HD21 LEU 68 3HD2 LEU 68 -1.997 -0.079 -10.892 519 HD22 LEU 68 1HD2 LEU 68 -3.557 0.145 -11.683 520 HD23 LEU 68 2HD2 LEU 68 -3.462 -0.650 -10.110 521 H GLN 69 H GLN 69 -7.199 0.641 -10.913 522 HA GLN 69 HA GLN 69 -9.065 2.748 -10.651 523 HB2 GLN 69 2HB GLN 69 -9.441 0.054 -11.972 524 HB3 GLN 69 1HB GLN 69 -10.430 1.483 -12.235 525 HG2 GLN 69 2HG GLN 69 -8.500 2.641 -13.189 526 HG3 GLN 69 1HG GLN 69 -7.515 1.201 -12.932 527 HE21 GLN 69 1HE2 GLN 69 -8.153 2.578 -15.417 528 HE22 GLN 69 2HE2 GLN 69 -8.924 1.407 -16.429 529 H ASN 70 H ASN 70 -8.605 -0.192 -8.993 530 HA ASN 70 HA ASN 70 -11.341 -0.410 -8.041 531 HB2 ASN 70 2HB ASN 70 -9.849 -2.402 -8.378 532 HB3 ASN 70 1HB ASN 70 -8.870 -1.835 -7.030 533 HD21 ASN 70 1HD2 ASN 70 -11.884 -3.233 -7.997 534 HD22 ASN 70 2HD2 ASN 70 -12.395 -3.724 -6.422 535 H PHE 71 H PHE 71 -8.202 0.620 -6.824 536 HA PHE 71 HA PHE 71 -9.104 1.290 -4.202 537 HB2 PHE 71 2HB PHE 71 -6.721 0.760 -4.979 538 HB3 PHE 71 1HB PHE 71 -6.671 2.398 -5.611 539 HD1 PHE 71 1HD PHE 71 -8.166 1.199 -2.423 540 HD2 PHE 71 2HD PHE 71 -5.066 3.432 -4.297 541 HE1 PHE 71 1HE PHE 71 -7.405 1.979 -0.220 542 HE2 PHE 71 2HE PHE 71 -4.305 4.225 -2.097 543 HZ PHE 71 HZ PHE 71 -5.472 3.496 -0.054 544 H SER 72 H SER 72 -8.707 3.016 -7.226 545 HA SER 72 HA SER 72 -10.646 4.981 -6.373 546 HB2 SER 72 2HB SER 72 -7.830 5.763 -7.168 547 HB3 SER 72 1HB SER 72 -9.185 6.892 -7.141 548 HG SER 72 HG SER 72 -8.816 5.385 -4.841 549 H ALA 73 H ALA 73 -11.962 5.420 -8.011 550 HA ALA 73 HA ALA 73 -11.913 3.752 -10.245 551 HB1 ALA 73 1HB ALA 73 -13.544 6.256 -9.903 552 HB2 ALA 73 2HB ALA 73 -13.940 4.688 -9.202 553 HB3 ALA 73 3HB ALA 73 -13.904 4.887 -10.954 554 H GLY 74 H GLY 74 -10.780 7.055 -9.888 555 HA2 GLY 74 2HA GLY 74 -10.297 7.179 -12.787 556 HA3 GLY 74 1HA GLY 74 -10.325 8.558 -11.701 557 H ALA 75 H ALA 75 -8.616 5.655 -10.813 558 HA ALA 75 HA ALA 75 -6.139 7.151 -10.738 559 HB1 ALA 75 1HB ALA 75 -6.717 4.299 -9.951 560 HB2 ALA 75 2HB ALA 75 -6.704 5.695 -8.873 561 HB3 ALA 75 3HB ALA 75 -5.210 5.166 -9.648 562 H ARG 76 H ARG 76 -4.164 6.349 -11.662 563 HA ARG 76 HA ARG 76 -4.602 5.354 -14.344 564 HB2 ARG 76 2HB ARG 76 -1.905 5.834 -14.158 565 HB3 ARG 76 1HB ARG 76 -3.099 6.960 -14.784 566 HG2 ARG 76 2HG ARG 76 -2.009 8.292 -13.291 567 HG3 ARG 76 1HG ARG 76 -3.283 7.656 -12.252 568 HD2 ARG 76 2HD ARG 76 -1.036 7.606 -11.206 569 HD3 ARG 76 1HD ARG 76 -1.785 6.011 -11.336 570 HE ARG 76 HE ARG 76 -0.271 6.342 -13.625 571 HH11 ARG 76 1HH1 ARG 76 0.413 6.324 -10.191 572 HH12 ARG 76 2HH1 ARG 76 1.942 5.532 -10.388 573 HH21 ARG 76 1HH2 ARG 76 1.728 5.324 -13.863 574 HH22 ARG 76 2HH2 ARG 76 2.690 4.938 -12.466 575 H ALA 77 H ALA 77 -3.733 3.519 -15.195 576 HA ALA 77 HA ALA 77 -3.177 1.401 -13.343 577 HB1 ALA 77 1HB ALA 77 -3.003 -0.012 -15.357 578 HB2 ALA 77 2HB ALA 77 -3.146 1.435 -16.359 579 HB3 ALA 77 3HB ALA 77 -4.489 0.943 -15.327 580 H LEU 78 H LEU 78 -1.291 0.373 -12.943 581 HA LEU 78 HA LEU 78 1.142 1.758 -13.784 582 HB2 LEU 78 2HB LEU 78 1.008 -0.508 -11.816 583 HB3 LEU 78 1HB LEU 78 2.217 0.751 -11.947 584 HG LEU 78 HG LEU 78 -0.586 1.054 -10.888 585 HD11 LEU 78 1HD1 LEU 78 0.562 1.593 -8.791 586 HD12 LEU 78 2HD1 LEU 78 2.108 1.238 -9.563 587 HD13 LEU 78 3HD1 LEU 78 0.916 -0.044 -9.346 588 HD21 LEU 78 3HD2 LEU 78 1.557 3.125 -11.286 589 HD22 LEU 78 1HD2 LEU 78 0.076 3.365 -10.360 590 HD23 LEU 78 2HD2 LEU 78 -0.011 3.058 -12.096 591 H SER 79 H SER 79 2.075 0.966 -15.596 592 HA SER 79 HA SER 79 2.574 -1.895 -15.692 593 HB2 SER 79 2HB SER 79 1.305 -0.405 -18.010 594 HB3 SER 79 1HB SER 79 1.866 -2.075 -18.055 595 HG SER 79 HG SER 79 -0.491 -1.500 -17.554 596 H ASP 80 H ASP 80 4.647 -1.382 -15.225 597 HA ASP 80 HA ASP 80 6.421 -1.130 -17.364 598 HB2 ASP 80 2HB ASP 80 5.515 1.314 -17.080 599 HB3 ASP 80 1HB ASP 80 6.524 1.341 -15.639 600 H ALA 81 H ALA 81 8.533 0.140 -15.807 601 HA ALA 81 HA ALA 81 9.298 -2.070 -14.243 602 HB1 ALA 81 1HB ALA 81 11.185 -0.689 -13.535 603 HB2 ALA 81 2HB ALA 81 10.390 0.743 -14.191 604 HB3 ALA 81 3HB ALA 81 10.917 -0.546 -15.272 605 H GLU 82 H GLU 82 7.122 0.425 -13.614 606 HA GLU 82 HA GLU 82 7.767 0.883 -10.861 607 HB2 GLU 82 2HB GLU 82 5.672 2.197 -10.833 608 HB3 GLU 82 1HB GLU 82 6.750 2.666 -12.135 609 HG2 GLU 82 2HG GLU 82 5.390 1.304 -13.691 610 HG3 GLU 82 1HG GLU 82 4.270 0.984 -12.367 611 H THR 83 H THR 83 5.316 -0.952 -12.636 612 HA THR 83 HA THR 83 3.953 -1.977 -10.402 613 HB THR 83 HB THR 83 4.314 -3.691 -12.811 614 HG1 THR 83 1HG THR 83 2.405 -1.848 -13.290 615 HG21 THR 83 3HG2 THR 83 1.891 -3.997 -12.518 616 HG22 THR 83 1HG2 THR 83 1.913 -2.837 -11.189 617 HG23 THR 83 2HG2 THR 83 2.779 -4.368 -11.039 618 H LYS 84 H LYS 84 6.702 -3.158 -12.274 619 HA LYS 84 HA LYS 84 6.899 -5.681 -11.110 620 HB2 LYS 84 2HB LYS 84 8.016 -5.124 -13.179 621 HB3 LYS 84 1HB LYS 84 9.043 -3.957 -12.356 622 HG2 LYS 84 2HG LYS 84 10.056 -5.788 -11.070 623 HG3 LYS 84 1HG LYS 84 9.040 -6.941 -11.937 624 HD2 LYS 84 2HD LYS 84 11.256 -6.878 -12.923 625 HD3 LYS 84 1HD LYS 84 10.073 -6.222 -14.056 626 HE2 LYS 84 2HE LYS 84 10.730 -3.968 -13.501 627 HE3 LYS 84 1HE LYS 84 11.813 -4.559 -12.242 628 HZ1 LYS 84 3HZ LYS 84 12.101 -5.058 -15.156 629 HZ2 LYS 84 1HZ LYS 84 13.136 -5.644 -13.953 630 HZ3 LYS 84 2HZ LYS 84 13.027 -3.981 -14.237 631 H VAL 85 H VAL 85 8.825 -2.757 -10.321 632 HA VAL 85 HA VAL 85 10.231 -3.991 -8.207 633 HB VAL 85 HB VAL 85 9.685 -1.049 -8.638 634 HG11 VAL 85 1HG1 VAL 85 11.778 -2.410 -6.942 635 HG12 VAL 85 2HG1 VAL 85 10.390 -1.497 -6.349 636 HG13 VAL 85 3HG1 VAL 85 11.669 -0.677 -7.244 637 HG21 VAL 85 3HG2 VAL 85 12.028 -2.760 -9.465 638 HG22 VAL 85 1HG2 VAL 85 11.907 -1.013 -9.672 639 HG23 VAL 85 2HG2 VAL 85 10.805 -2.084 -10.540 640 H PHE 86 H PHE 86 7.351 -1.923 -8.209 641 HA PHE 86 HA PHE 86 7.034 -1.830 -5.407 642 HB2 PHE 86 2HB PHE 86 5.972 -0.149 -6.665 643 HB3 PHE 86 1HB PHE 86 5.207 -1.303 -7.737 644 HD1 PHE 86 1HD PHE 86 5.085 0.303 -4.454 645 HD2 PHE 86 2HD PHE 86 3.131 -2.372 -7.126 646 HE1 PHE 86 1HE PHE 86 3.040 0.448 -3.099 647 HE2 PHE 86 2HE PHE 86 1.083 -2.235 -5.770 648 HZ PHE 86 HZ PHE 86 1.034 -0.820 -3.755 649 H LEU 87 H LEU 87 5.880 -4.064 -7.858 650 HA LEU 87 HA LEU 87 4.165 -5.595 -6.179 651 HB2 LEU 87 2HB LEU 87 4.156 -5.555 -8.690 652 HB3 LEU 87 1HB LEU 87 5.653 -6.461 -8.666 653 HG LEU 87 HG LEU 87 4.233 -8.183 -7.283 654 HD11 LEU 87 1HD1 LEU 87 1.900 -8.265 -8.024 655 HD12 LEU 87 2HD1 LEU 87 2.112 -6.722 -8.852 656 HD13 LEU 87 3HD1 LEU 87 2.230 -6.804 -7.093 657 HD21 LEU 87 3HD2 LEU 87 3.665 -9.302 -9.393 658 HD22 LEU 87 1HD2 LEU 87 5.295 -8.632 -9.415 659 HD23 LEU 87 2HD2 LEU 87 3.990 -7.801 -10.262 660 H LYS 88 H LYS 88 7.539 -5.935 -7.223 661 HA LYS 88 HA LYS 88 8.035 -8.401 -5.956 662 HB2 LYS 88 2HB LYS 88 9.901 -6.224 -6.884 663 HB3 LYS 88 1HB LYS 88 10.463 -7.752 -6.211 664 HG2 LYS 88 2HG LYS 88 8.709 -7.496 -8.638 665 HG3 LYS 88 1HG LYS 88 10.459 -7.749 -8.660 666 HD2 LYS 88 2HD LYS 88 10.175 -9.818 -7.409 667 HD3 LYS 88 1HD LYS 88 8.430 -9.577 -7.388 668 HE2 LYS 88 2HE LYS 88 8.397 -9.678 -9.839 669 HE3 LYS 88 1HE LYS 88 10.137 -9.973 -9.838 670 HZ1 LYS 88 3HZ LYS 88 8.147 -11.719 -8.488 671 HZ2 LYS 88 1HZ LYS 88 9.802 -12.020 -8.688 672 HZ3 LYS 88 2HZ LYS 88 8.782 -12.009 -10.035 673 H ALA 89 H ALA 89 7.819 -5.231 -4.678 674 HA ALA 89 HA ALA 89 9.325 -5.481 -2.334 675 HB1 ALA 89 1HB ALA 89 7.880 -3.791 -1.387 676 HB2 ALA 89 2HB ALA 89 6.657 -4.099 -2.619 677 HB3 ALA 89 3HB ALA 89 8.211 -3.397 -3.075 678 H GLY 90 H GLY 90 6.327 -6.909 -3.312 679 HA2 GLY 90 2HA GLY 90 6.123 -8.249 -0.691 680 HA3 GLY 90 1HA GLY 90 4.765 -7.995 -1.781 681 H ASP 91 H ASP 91 5.672 -8.781 -4.180 682 HA ASP 91 HA ASP 91 5.469 -11.584 -4.108 683 HB2 ASP 91 2HB ASP 91 4.829 -10.250 -6.066 684 HB3 ASP 91 1HB ASP 91 6.508 -9.795 -6.325 685 H SER 92 H SER 92 7.038 -12.500 -2.808 686 HA SER 92 HA SER 92 9.838 -12.087 -3.571 687 HB2 SER 92 2HB SER 92 8.751 -13.583 -1.179 688 HB3 SER 92 1HB SER 92 10.410 -13.042 -1.438 689 HG SER 92 HG SER 92 8.145 -11.327 -1.218 690 H ASP 93 H ASP 93 7.306 -14.077 -4.250 691 HA ASP 93 HA ASP 93 8.766 -16.590 -4.294 692 HB2 ASP 93 2HB ASP 93 6.057 -16.178 -5.531 693 HB3 ASP 93 1HB ASP 93 6.737 -17.640 -4.827 694 H GLY 94 H GLY 94 7.974 -14.017 -6.448 695 HA2 GLY 94 2HA GLY 94 8.782 -13.627 -8.579 696 HA3 GLY 94 1HA GLY 94 9.544 -15.211 -8.549 697 H ASP 95 H ASP 95 6.195 -14.975 -7.756 698 HA ASP 95 HA ASP 95 5.640 -16.486 -10.193 699 HB2 ASP 95 2HB ASP 95 3.533 -17.188 -8.952 700 HB3 ASP 95 1HB ASP 95 5.060 -17.810 -8.351 701 H GLY 96 H GLY 96 5.140 -13.388 -8.928 702 HA2 GLY 96 2HA GLY 96 4.435 -11.688 -10.418 703 HA3 GLY 96 1HA GLY 96 3.543 -12.889 -11.335 704 H LYS 97 H LYS 97 3.335 -12.483 -7.849 705 HA LYS 97 HA LYS 97 0.680 -11.264 -8.082 706 HB2 LYS 97 2HB LYS 97 -0.380 -13.057 -6.772 707 HB3 LYS 97 1HB LYS 97 0.211 -13.655 -8.316 708 HG2 LYS 97 2HG LYS 97 2.024 -14.749 -7.311 709 HG3 LYS 97 1HG LYS 97 1.785 -13.924 -5.769 710 HD2 LYS 97 2HD LYS 97 -0.097 -15.911 -7.041 711 HD3 LYS 97 1HD LYS 97 1.025 -16.264 -5.731 712 HE2 LYS 97 2HE LYS 97 -0.137 -14.616 -4.322 713 HE3 LYS 97 1HE LYS 97 -1.280 -14.323 -5.630 714 HZ1 LYS 97 3HZ LYS 97 -1.938 -16.657 -5.503 715 HZ2 LYS 97 1HZ LYS 97 -2.195 -15.859 -4.033 716 HZ3 LYS 97 2HZ LYS 97 -0.874 -16.897 -4.213 717 H ILE 98 H ILE 98 -0.281 -10.953 -5.917 718 HA ILE 98 HA ILE 98 1.818 -10.407 -3.929 719 HB ILE 98 HB ILE 98 -0.666 -8.815 -4.549 720 HG12 ILE 98 2HG1 ILE 98 1.238 -8.315 -5.990 721 HG13 ILE 98 1HG1 ILE 98 0.911 -6.965 -4.902 722 HG21 ILE 98 1HG2 ILE 98 -0.062 -7.352 -2.696 723 HG22 ILE 98 2HG2 ILE 98 1.249 -8.449 -2.260 724 HG23 ILE 98 3HG2 ILE 98 -0.427 -8.986 -2.145 725 HD11 ILE 98 3HD1 ILE 98 3.282 -7.330 -5.078 726 HD12 ILE 98 1HD1 ILE 98 3.093 -9.019 -4.613 727 HD13 ILE 98 2HD1 ILE 98 2.744 -7.741 -3.450 728 H GLY 99 H GLY 99 1.603 -12.106 -2.556 729 HA2 GLY 99 2HA GLY 99 -0.872 -12.966 -1.467 730 HA3 GLY 99 1HA GLY 99 0.706 -13.101 -0.683 731 H VAL 100 H VAL 100 -2.006 -12.150 0.298 732 HA VAL 100 HA VAL 100 -1.996 -9.363 0.526 733 HB VAL 100 HB VAL 100 -3.217 -11.443 2.307 734 HG11 VAL 100 1HG1 VAL 100 -2.987 -9.329 3.503 735 HG12 VAL 100 2HG1 VAL 100 -4.676 -9.677 3.138 736 HG13 VAL 100 3HG1 VAL 100 -3.793 -8.492 2.174 737 HG21 VAL 100 3HG2 VAL 100 -4.325 -9.810 0.039 738 HG22 VAL 100 1HG2 VAL 100 -5.259 -10.909 1.056 739 HG23 VAL 100 2HG2 VAL 100 -3.979 -11.539 0.020 740 H ASP 101 H ASP 101 -0.680 -11.850 2.660 741 HA ASP 101 HA ASP 101 0.329 -10.117 4.631 742 HB2 ASP 101 2HB ASP 101 1.745 -11.975 5.322 743 HB3 ASP 101 1HB ASP 101 0.124 -12.554 4.948 744 H GLU 102 H GLU 102 1.565 -11.074 1.491 745 HA GLU 102 HA GLU 102 4.176 -9.985 1.794 746 HB2 GLU 102 2HB GLU 102 2.555 -10.386 -0.746 747 HB3 GLU 102 1HB GLU 102 4.276 -10.027 -0.680 748 HG2 GLU 102 2HG GLU 102 4.627 -12.157 0.538 749 HG3 GLU 102 1HG GLU 102 2.918 -12.523 0.309 750 H PHE 103 H PHE 103 1.068 -8.703 0.766 751 HA PHE 103 HA PHE 103 2.083 -6.180 -0.082 752 HB2 PHE 103 2HB PHE 103 -0.167 -7.235 -0.719 753 HB3 PHE 103 1HB PHE 103 -0.743 -6.667 0.844 754 HD1 PHE 103 1HD PHE 103 0.868 -5.480 -2.285 755 HD2 PHE 103 2HD PHE 103 -1.566 -4.506 1.061 756 HE1 PHE 103 1HE PHE 103 0.411 -3.275 -3.269 757 HE2 PHE 103 2HE PHE 103 -2.030 -2.297 0.082 758 HZ PHE 103 HZ PHE 103 -1.041 -1.679 -2.087 759 H GLY 104 H GLY 104 0.447 -7.295 2.879 760 HA2 GLY 104 2HA GLY 104 0.480 -4.896 4.303 761 HA3 GLY 104 1HA GLY 104 0.564 -6.494 5.035 762 H ALA 105 H ALA 105 2.995 -7.343 3.945 763 HA ALA 105 HA ALA 105 4.865 -6.192 5.714 764 HB1 ALA 105 1HB ALA 105 6.505 -7.617 4.613 765 HB2 ALA 105 2HB ALA 105 5.369 -7.930 3.301 766 HB3 ALA 105 3HB ALA 105 5.015 -8.505 4.931 767 H MET 106 H MET 106 4.133 -5.604 2.312 768 HA MET 106 HA MET 106 6.476 -3.965 1.936 769 HB2 MET 106 2HB MET 106 5.937 -3.881 -0.291 770 HB3 MET 106 1HB MET 106 5.075 -5.343 0.155 771 HG2 MET 106 2HG MET 106 3.002 -4.273 0.133 772 HG3 MET 106 1HG MET 106 3.725 -2.671 0.195 773 HE1 MET 106 3HE MET 106 3.612 -5.389 -3.527 774 HE2 MET 106 1HE MET 106 2.828 -5.760 -1.993 775 HE3 MET 106 2HE MET 106 4.588 -5.784 -2.112 776 H ILE 107 H ILE 107 3.296 -3.496 3.119 777 HA ILE 107 HA ILE 107 3.152 -0.672 2.604 778 HB ILE 107 HB ILE 107 1.627 -2.346 4.634 779 HG12 ILE 107 2HG1 ILE 107 0.783 -1.351 1.902 780 HG13 ILE 107 1HG1 ILE 107 1.278 -3.003 2.258 781 HG21 ILE 107 1HG2 ILE 107 1.094 0.439 3.606 782 HG22 ILE 107 2HG2 ILE 107 1.665 0.018 5.220 783 HG23 ILE 107 3HG2 ILE 107 0.057 -0.479 4.698 784 HD11 ILE 107 3HD1 ILE 107 -0.603 -3.230 3.793 785 HD12 ILE 107 1HD1 ILE 107 -1.133 -2.808 2.166 786 HD13 ILE 107 2HD1 ILE 107 -1.097 -1.577 3.427 787 H LYS 108 H LYS 108 4.334 -2.789 5.051 788 HA LYS 108 HA LYS 108 4.994 -0.637 6.878 789 HB2 LYS 108 2HB LYS 108 4.263 -2.501 8.021 790 HB3 LYS 108 1HB LYS 108 5.074 -3.621 6.942 791 HG2 LYS 108 2HG LYS 108 6.763 -1.868 8.643 792 HG3 LYS 108 1HG LYS 108 5.902 -3.201 9.414 793 HD2 LYS 108 2HD LYS 108 6.898 -4.731 7.707 794 HD3 LYS 108 1HD LYS 108 7.862 -3.374 7.128 795 HE2 LYS 108 2HE LYS 108 7.913 -4.452 9.941 796 HE3 LYS 108 1HE LYS 108 9.082 -4.859 8.688 797 HZ1 LYS 108 3HZ LYS 108 9.878 -3.113 10.178 798 HZ2 LYS 108 1HZ LYS 108 8.588 -2.119 9.726 799 HZ3 LYS 108 2HZ LYS 108 9.756 -2.559 8.586 800 H ALA 109 H ALA 109 6.575 -2.665 4.509 801 HA ALA 109 HA ALA 109 9.116 -1.309 5.118 802 HB1 ALA 109 1HB ALA 109 9.223 -3.745 5.367 803 HB2 ALA 109 2HB ALA 109 10.256 -3.176 4.057 804 HB3 ALA 109 3HB ALA 109 8.706 -3.934 3.691 Start of MODEL 18 1 H1 MET 1 1HT MET 1 -18.332 7.361 -4.281 2 H2 MET 1 2HT MET 1 -16.879 6.701 -4.836 3 H3 MET 1 3HT MET 1 -18.020 7.281 -5.939 4 HA MET 1 HA MET 1 -16.189 8.810 -5.709 5 HB2 MET 1 2HB MET 1 -17.478 10.830 -5.263 6 HB3 MET 1 1HB MET 1 -18.421 9.696 -6.217 7 HG2 MET 1 2HG MET 1 -19.690 9.047 -4.274 8 HG3 MET 1 1HG MET 1 -18.682 10.059 -3.241 9 HE1 MET 1 2HE MET 1 -21.496 11.739 -6.488 10 HE2 MET 1 3HE MET 1 -21.247 10.018 -6.199 11 HE3 MET 1 1HE MET 1 -19.938 11.002 -6.854 12 H ALA 2 H ALA 2 -17.318 7.518 -2.757 13 HA ALA 2 HA ALA 2 -15.149 8.853 -1.355 14 HB1 ALA 2 1HB ALA 2 -16.570 9.530 0.518 15 HB2 ALA 2 2HB ALA 2 -17.996 8.975 -0.360 16 HB3 ALA 2 3HB ALA 2 -17.054 10.333 -0.975 17 H PHE 3 H PHE 3 -14.183 7.539 0.063 18 HA PHE 3 HA PHE 3 -15.376 4.895 0.471 19 HB2 PHE 3 2HB PHE 3 -12.542 5.893 0.811 20 HB3 PHE 3 1HB PHE 3 -13.065 4.254 1.190 21 HD1 PHE 3 2HD PHE 3 -13.842 2.759 -0.619 22 HD2 PHE 3 1HD PHE 3 -12.135 6.572 -1.428 23 HE1 PHE 3 2HE PHE 3 -13.467 2.091 -2.956 24 HE2 PHE 3 1HE PHE 3 -11.759 5.911 -3.768 25 HZ PHE 3 HZ PHE 3 -12.424 3.667 -4.534 26 H ALA 4 H ALA 4 -14.315 3.985 2.719 27 HA ALA 4 HA ALA 4 -15.836 5.482 4.672 28 HB1 ALA 4 1HB ALA 4 -14.414 2.843 4.965 29 HB2 ALA 4 2HB ALA 4 -16.091 3.051 4.461 30 HB3 ALA 4 3HB ALA 4 -15.593 3.531 6.084 31 H GLY 5 H GLY 5 -13.335 6.678 3.818 32 HA2 GLY 5 2HA GLY 5 -11.761 7.988 4.861 33 HA3 GLY 5 1HA GLY 5 -12.344 7.383 6.405 34 H ILE 6 H ILE 6 -11.805 4.582 5.206 35 HA ILE 6 HA ILE 6 -9.331 4.001 6.292 36 HB ILE 6 HB ILE 6 -10.825 2.670 4.033 37 HG12 ILE 6 2HG1 ILE 6 -10.483 1.994 6.962 38 HG13 ILE 6 1HG1 ILE 6 -11.943 2.614 6.198 39 HG21 ILE 6 1HG2 ILE 6 -8.372 1.674 5.473 40 HG22 ILE 6 2HG2 ILE 6 -8.478 2.131 3.774 41 HG23 ILE 6 3HG2 ILE 6 -9.362 0.724 4.366 42 HD11 ILE 6 3HD1 ILE 6 -12.121 0.238 6.613 43 HD12 ILE 6 1HD1 ILE 6 -10.662 -0.055 5.670 44 HD13 ILE 6 2HD1 ILE 6 -12.113 0.562 4.880 45 H LEU 7 H LEU 7 -10.172 4.887 2.991 46 HA LEU 7 HA LEU 7 -7.543 6.038 2.698 47 HB2 LEU 7 2HB LEU 7 -7.056 5.042 0.573 48 HB3 LEU 7 1HB LEU 7 -7.311 3.776 1.743 49 HG LEU 7 HG LEU 7 -8.253 2.983 -0.236 50 HD11 LEU 7 1HD1 LEU 7 -10.650 2.815 0.135 51 HD12 LEU 7 2HD1 LEU 7 -10.556 4.113 1.326 52 HD13 LEU 7 3HD1 LEU 7 -9.731 2.584 1.623 53 HD21 LEU 7 3HD2 LEU 7 -8.239 5.020 -1.522 54 HD22 LEU 7 1HD2 LEU 7 -9.617 5.638 -0.611 55 HD23 LEU 7 2HD2 LEU 7 -9.808 4.227 -1.651 56 H ASN 8 H ASN 8 -7.565 7.905 1.569 57 HA ASN 8 HA ASN 8 -10.200 8.842 0.720 58 HB2 ASN 8 2HB ASN 8 -7.687 10.268 1.526 59 HB3 ASN 8 1HB ASN 8 -8.987 11.104 0.682 60 HD21 ASN 8 1HD2 ASN 8 -8.197 9.247 3.530 61 HD22 ASN 8 2HD2 ASN 8 -9.435 9.902 4.545 62 H ASP 9 H ASP 9 -10.672 9.214 -1.370 63 HA ASP 9 HA ASP 9 -9.231 8.257 -3.507 64 HB2 ASP 9 2HB ASP 9 -10.970 10.735 -3.629 65 HB3 ASP 9 1HB ASP 9 -10.624 9.620 -4.944 66 H ALA 10 H ALA 10 -9.334 11.524 -2.254 67 HA ALA 10 HA ALA 10 -7.608 12.809 -4.011 68 HB1 ALA 10 1HB ALA 10 -8.238 13.313 -1.107 69 HB2 ALA 10 2HB ALA 10 -9.031 14.023 -2.516 70 HB3 ALA 10 3HB ALA 10 -7.360 14.446 -2.139 71 H ASP 11 H ASP 11 -6.874 11.175 -0.935 72 HA ASP 11 HA ASP 11 -4.182 12.004 -0.816 73 HB2 ASP 11 2HB ASP 11 -5.736 9.847 0.573 74 HB3 ASP 11 1HB ASP 11 -3.998 9.996 0.808 75 H ILE 12 H ILE 12 -5.660 9.006 -1.897 76 HA ILE 12 HA ILE 12 -3.265 7.696 -2.593 77 HB ILE 12 HB ILE 12 -6.143 7.365 -3.294 78 HG12 ILE 12 2HG1 ILE 12 -5.723 5.098 -2.313 79 HG13 ILE 12 1HG1 ILE 12 -4.066 5.590 -1.997 80 HG21 ILE 12 1HG2 ILE 12 -5.045 6.894 -5.404 81 HG22 ILE 12 2HG2 ILE 12 -5.623 5.394 -4.682 82 HG23 ILE 12 3HG2 ILE 12 -3.911 5.808 -4.600 83 HD11 ILE 12 3HD1 ILE 12 -4.947 7.406 -0.558 84 HD12 ILE 12 1HD1 ILE 12 -5.332 5.783 0.013 85 HD13 ILE 12 2HD1 ILE 12 -6.566 6.750 -0.797 86 H THR 13 H THR 13 -5.538 9.636 -4.486 87 HA THR 13 HA THR 13 -4.252 9.487 -6.964 88 HB THR 13 HB THR 13 -5.892 11.767 -5.831 89 HG1 THR 13 1HG THR 13 -7.152 9.949 -5.778 90 HG21 THR 13 3HG2 THR 13 -6.388 12.341 -8.125 91 HG22 THR 13 1HG2 THR 13 -5.411 10.993 -8.710 92 HG23 THR 13 2HG2 THR 13 -4.641 12.347 -7.887 93 H ALA 14 H ALA 14 -3.707 11.581 -4.188 94 HA ALA 14 HA ALA 14 -1.978 13.445 -5.408 95 HB1 ALA 14 1HB ALA 14 -3.054 13.837 -3.244 96 HB2 ALA 14 2HB ALA 14 -1.306 14.037 -3.143 97 HB3 ALA 14 3HB ALA 14 -2.063 12.571 -2.523 98 H ALA 15 H ALA 15 -1.369 10.371 -3.770 99 HA ALA 15 HA ALA 15 1.468 10.557 -3.927 100 HB1 ALA 15 1HB ALA 15 1.446 8.168 -3.370 101 HB2 ALA 15 2HB ALA 15 -0.300 8.133 -3.612 102 HB3 ALA 15 3HB ALA 15 0.391 9.098 -2.308 103 H LEU 16 H LEU 16 -1.028 9.084 -5.929 104 HA LEU 16 HA LEU 16 0.675 7.876 -7.824 105 HB2 LEU 16 2HB LEU 16 -2.167 8.865 -8.043 106 HB3 LEU 16 1HB LEU 16 -1.361 7.930 -9.286 107 HG LEU 16 HG LEU 16 -1.657 6.896 -6.479 108 HD11 LEU 16 1HD1 LEU 16 -3.881 7.390 -7.229 109 HD12 LEU 16 2HD1 LEU 16 -3.621 5.649 -7.326 110 HD13 LEU 16 3HD1 LEU 16 -3.566 6.633 -8.788 111 HD21 LEU 16 3HD2 LEU 16 -0.017 5.795 -7.935 112 HD22 LEU 16 1HD2 LEU 16 -1.276 5.529 -9.141 113 HD23 LEU 16 2HD2 LEU 16 -1.379 4.737 -7.569 114 H ALA 17 H ALA 17 -0.348 11.151 -7.370 115 HA ALA 17 HA ALA 17 0.443 11.999 -10.024 116 HB1 ALA 17 1HB ALA 17 -0.277 13.676 -7.623 117 HB2 ALA 17 2HB ALA 17 -1.419 13.094 -8.832 118 HB3 ALA 17 3HB ALA 17 -0.149 14.226 -9.294 119 H ALA 18 H ALA 18 1.839 11.717 -6.871 120 HA ALA 18 HA ALA 18 3.913 13.644 -7.183 121 HB1 ALA 18 1HB ALA 18 4.852 12.694 -5.175 122 HB2 ALA 18 2HB ALA 18 3.839 11.259 -5.337 123 HB3 ALA 18 3HB ALA 18 3.102 12.824 -4.985 124 H CYS 19 H CYS 19 3.664 10.166 -7.579 125 HA CYS 19 HA CYS 19 6.228 10.228 -9.017 126 HB2 CYS 19 2HB CYS 19 6.578 7.891 -8.235 127 HB3 CYS 19 1HB CYS 19 6.570 9.073 -6.936 128 HG CYS 19 HG CYS 19 3.860 7.143 -7.722 129 H LYS 20 H LYS 20 4.289 10.800 -10.558 130 HA LYS 20 HA LYS 20 2.912 8.527 -11.660 131 HB2 LYS 20 2HB LYS 20 1.927 10.801 -11.601 132 HB3 LYS 20 1HB LYS 20 3.194 11.362 -12.680 133 HG2 LYS 20 2HG LYS 20 2.379 9.837 -14.411 134 HG3 LYS 20 1HG LYS 20 1.091 9.311 -13.328 135 HD2 LYS 20 2HD LYS 20 0.287 10.986 -14.923 136 HD3 LYS 20 1HD LYS 20 0.203 11.587 -13.265 137 HE2 LYS 20 2HE LYS 20 2.264 12.834 -13.598 138 HE3 LYS 20 1HE LYS 20 2.408 12.194 -15.231 139 HZ1 LYS 20 3HZ LYS 20 0.213 13.933 -14.247 140 HZ2 LYS 20 1HZ LYS 20 0.365 13.328 -15.818 141 HZ3 LYS 20 2HZ LYS 20 1.500 14.427 -15.224 142 H ALA 21 H ALA 21 5.977 9.827 -11.912 143 HA ALA 21 HA ALA 21 6.516 9.338 -14.670 144 HB1 ALA 21 1HB ALA 21 7.814 10.965 -13.447 145 HB2 ALA 21 2HB ALA 21 8.871 9.676 -14.016 146 HB3 ALA 21 3HB ALA 21 8.369 9.726 -12.328 147 H GLU 22 H GLU 22 6.651 7.395 -15.561 148 HA GLU 22 HA GLU 22 6.866 4.970 -14.152 149 HB2 GLU 22 2HB GLU 22 5.910 5.123 -16.415 150 HB3 GLU 22 1HB GLU 22 7.487 5.559 -17.057 151 HG2 GLU 22 2HG GLU 22 8.355 3.369 -16.363 152 HG3 GLU 22 1HG GLU 22 6.750 2.934 -15.780 153 H GLY 23 H GLY 23 8.563 4.086 -13.200 154 HA2 GLY 23 2HA GLY 23 10.825 3.351 -13.129 155 HA3 GLY 23 1HA GLY 23 11.258 4.646 -14.237 156 H SER 24 H SER 24 9.153 5.836 -11.992 157 HA SER 24 HA SER 24 11.197 6.426 -9.989 158 HB2 SER 24 2HB SER 24 9.537 8.549 -11.368 159 HB3 SER 24 1HB SER 24 10.678 8.822 -10.051 160 HG SER 24 HG SER 24 11.939 7.473 -11.959 161 H PHE 25 H PHE 25 8.656 4.827 -10.230 162 HA PHE 25 HA PHE 25 6.679 6.094 -8.624 163 HB2 PHE 25 2HB PHE 25 6.279 4.088 -10.126 164 HB3 PHE 25 1HB PHE 25 7.120 3.121 -8.914 165 HD1 PHE 25 2HD PHE 25 4.240 5.444 -9.292 166 HD2 PHE 25 1HD PHE 25 5.943 2.173 -7.170 167 HE1 PHE 25 2HE PHE 25 2.140 5.169 -8.041 168 HE2 PHE 25 1HE PHE 25 3.846 1.891 -5.915 169 HZ PHE 25 HZ PHE 25 1.942 3.389 -6.348 170 H ASP 26 H ASP 26 6.682 6.408 -6.467 171 HA ASP 26 HA ASP 26 8.667 4.880 -4.921 172 HB2 ASP 26 2HB ASP 26 8.634 7.511 -5.032 173 HB3 ASP 26 1HB ASP 26 7.346 7.337 -3.842 174 H HIS 27 H HIS 27 7.332 3.084 -4.712 175 HA HIS 27 HA HIS 27 4.679 3.053 -3.959 176 HB2 HIS 27 2HB HIS 27 4.927 0.743 -3.460 177 HB3 HIS 27 1HB HIS 27 6.035 1.092 -4.774 178 HD1 HIS 27 1HD HIS 27 5.857 -0.584 -1.621 179 HD2 HIS 27 2HD HIS 27 8.815 1.480 -3.672 180 HE1 HIS 27 1HE HIS 27 8.024 -1.309 -0.584 181 HE2 HIS 27 2HE HIS 27 9.774 0.118 -1.703 182 H LYS 28 H LYS 28 7.458 3.481 -1.947 183 HA LYS 28 HA LYS 28 6.059 2.883 0.480 184 HB2 LYS 28 2HB LYS 28 8.477 2.514 0.149 185 HB3 LYS 28 1HB LYS 28 8.683 4.258 0.049 186 HG2 LYS 28 2HG LYS 28 8.224 4.580 2.306 187 HG3 LYS 28 1HG LYS 28 7.423 3.015 2.459 188 HD2 LYS 28 2HD LYS 28 9.587 1.895 2.144 189 HD3 LYS 28 1HD LYS 28 10.376 3.469 2.029 190 HE2 LYS 28 2HE LYS 28 9.880 3.985 4.283 191 HE3 LYS 28 1HE LYS 28 8.747 2.642 4.415 192 HZ1 LYS 28 3HZ LYS 28 11.611 2.194 3.865 193 HZ2 LYS 28 1HZ LYS 28 10.470 1.096 4.463 194 HZ3 LYS 28 2HZ LYS 28 11.034 2.357 5.444 195 H ALA 29 H ALA 29 7.205 5.824 -1.169 196 HA ALA 29 HA ALA 29 6.246 7.713 0.641 197 HB1 ALA 29 1HB ALA 29 6.234 7.983 -2.360 198 HB2 ALA 29 2HB ALA 29 7.644 8.242 -1.335 199 HB3 ALA 29 3HB ALA 29 6.236 9.291 -1.179 200 H PHE 30 H PHE 30 4.619 5.930 -1.907 201 HA PHE 30 HA PHE 30 2.107 7.108 -1.839 202 HB2 PHE 30 2HB PHE 30 2.766 5.397 -3.476 203 HB3 PHE 30 1HB PHE 30 2.823 4.183 -2.206 204 HD1 PHE 30 1HD PHE 30 0.784 3.249 -1.283 205 HD2 PHE 30 2HD PHE 30 0.657 6.183 -4.362 206 HE1 PHE 30 1HE PHE 30 -1.574 2.695 -1.707 207 HE2 PHE 30 2HE PHE 30 -1.704 5.637 -4.788 208 HZ PHE 30 HZ PHE 30 -2.822 3.892 -3.461 209 H PHE 31 H PHE 31 3.265 4.329 0.078 210 HA PHE 31 HA PHE 31 0.897 3.993 1.556 211 HB2 PHE 31 2HB PHE 31 3.717 3.208 2.302 212 HB3 PHE 31 1HB PHE 31 2.254 2.613 3.079 213 HD1 PHE 31 1HD PHE 31 0.502 2.092 0.790 214 HD2 PHE 31 2HD PHE 31 4.670 1.375 1.272 215 HE1 PHE 31 1HE PHE 31 0.373 0.269 -0.853 216 HE2 PHE 31 2HE PHE 31 4.546 -0.450 -0.373 217 HZ PHE 31 HZ PHE 31 2.398 -1.005 -1.439 218 H THR 32 H THR 32 3.881 5.747 2.378 219 HA THR 32 HA THR 32 2.957 6.436 4.983 220 HB THR 32 HB THR 32 5.335 6.318 4.580 221 HG1 THR 32 1HG THR 32 4.474 7.910 6.111 222 HG21 THR 32 3HG2 THR 32 6.476 8.072 3.226 223 HG22 THR 32 1HG2 THR 32 4.895 8.582 2.634 224 HG23 THR 32 2HG2 THR 32 5.494 6.958 2.274 225 H LYS 33 H LYS 33 2.427 7.786 1.871 226 HA LYS 33 HA LYS 33 1.799 10.435 2.847 227 HB2 LYS 33 2HB LYS 33 2.810 9.942 0.597 228 HB3 LYS 33 1HB LYS 33 1.259 9.272 0.118 229 HG2 LYS 33 2HG LYS 33 0.195 11.412 0.421 230 HG3 LYS 33 1HG LYS 33 1.702 12.105 1.025 231 HD2 LYS 33 2HD LYS 33 2.750 11.508 -1.170 232 HD3 LYS 33 1HD LYS 33 1.144 11.065 -1.749 233 HE2 LYS 33 2HE LYS 33 0.354 13.320 -1.370 234 HE3 LYS 33 1HE LYS 33 1.909 13.769 -0.670 235 HZ1 LYS 33 3HZ LYS 33 2.938 13.297 -2.832 236 HZ2 LYS 33 1HZ LYS 33 1.784 14.531 -2.930 237 HZ3 LYS 33 2HZ LYS 33 1.411 12.982 -3.491 238 H VAL 34 H VAL 34 0.003 7.641 1.569 239 HA VAL 34 HA VAL 34 -2.519 8.935 1.800 240 HB VAL 34 HB VAL 34 -3.446 6.818 1.169 241 HG11 VAL 34 1HG1 VAL 34 -0.908 7.370 -0.331 242 HG12 VAL 34 2HG1 VAL 34 -2.470 8.147 -0.597 243 HG13 VAL 34 3HG1 VAL 34 -2.270 6.428 -0.938 244 HG21 VAL 34 3HG2 VAL 34 -2.119 5.344 2.576 245 HG22 VAL 34 1HG2 VAL 34 -0.707 5.650 1.564 246 HG23 VAL 34 2HG2 VAL 34 -2.102 4.800 0.898 247 H GLY 35 H GLY 35 -0.460 7.329 3.987 248 HA2 GLY 35 2HA GLY 35 -0.828 7.453 6.323 249 HA3 GLY 35 1HA GLY 35 -2.555 7.501 6.025 250 H LEU 36 H LEU 36 -0.721 5.164 4.283 251 HA LEU 36 HA LEU 36 -2.202 3.090 5.702 252 HB2 LEU 36 2HB LEU 36 -2.116 3.358 3.151 253 HB3 LEU 36 1HB LEU 36 -0.496 2.696 3.260 254 HG LEU 36 HG LEU 36 -1.475 0.664 4.352 255 HD11 LEU 36 1HD1 LEU 36 -3.542 1.670 5.169 256 HD12 LEU 36 2HD1 LEU 36 -3.873 0.280 4.137 257 HD13 LEU 36 3HD1 LEU 36 -4.087 1.915 3.509 258 HD21 LEU 36 3HD2 LEU 36 -0.905 0.703 1.981 259 HD22 LEU 36 1HD2 LEU 36 -2.509 1.330 1.600 260 HD23 LEU 36 2HD2 LEU 36 -2.333 -0.287 2.283 261 H ALA 37 H ALA 37 0.635 4.502 6.263 262 HA ALA 37 HA ALA 37 1.995 2.012 7.001 263 HB1 ALA 37 1HB ALA 37 3.296 3.881 6.007 264 HB2 ALA 37 2HB ALA 37 3.876 3.396 7.601 265 HB3 ALA 37 3HB ALA 37 2.912 4.861 7.422 266 H ALA 38 H ALA 38 0.053 4.555 8.312 267 HA ALA 38 HA ALA 38 0.420 3.483 11.032 268 HB1 ALA 38 1HB ALA 38 -0.400 5.627 11.853 269 HB2 ALA 38 2HB ALA 38 -0.629 6.186 10.196 270 HB3 ALA 38 3HB ALA 38 0.994 5.853 10.798 271 H LYS 39 H LYS 39 -1.291 2.420 8.890 272 HA LYS 39 HA LYS 39 -4.013 3.012 9.506 273 HB2 LYS 39 2HB LYS 39 -4.291 0.740 8.201 274 HB3 LYS 39 1HB LYS 39 -3.840 2.217 7.368 275 HG2 LYS 39 2HG LYS 39 -2.540 0.261 6.648 276 HG3 LYS 39 1HG LYS 39 -1.541 1.554 7.298 277 HD2 LYS 39 2HD LYS 39 -1.701 0.209 9.519 278 HD3 LYS 39 1HD LYS 39 -2.174 -1.130 8.468 279 HE2 LYS 39 2HE LYS 39 -0.129 -0.916 7.204 280 HE3 LYS 39 1HE LYS 39 0.320 0.526 8.110 281 HZ1 LYS 39 3HZ LYS 39 0.132 -2.249 9.152 282 HZ2 LYS 39 1HZ LYS 39 0.406 -0.890 10.121 283 HZ3 LYS 39 2HZ LYS 39 1.537 -1.334 8.948 284 H SER 40 H SER 40 -5.502 1.060 9.934 285 HA SER 40 HA SER 40 -4.437 -0.540 12.159 286 HB2 SER 40 2HB SER 40 -7.310 0.265 11.607 287 HB3 SER 40 1HB SER 40 -6.724 -0.603 13.025 288 HG SER 40 HG SER 40 -5.313 1.338 13.303 289 HA PRO 41 HA PRO 41 -4.986 -4.448 10.215 290 HB2 PRO 41 2HB PRO 41 -7.378 -4.938 11.949 291 HB3 PRO 41 1HB PRO 41 -6.017 -6.006 11.585 292 HG2 PRO 41 2HG PRO 41 -6.098 -4.708 13.891 293 HG3 PRO 41 1HG PRO 41 -4.572 -4.867 13.002 294 HD2 PRO 41 2HD PRO 41 -6.337 -2.496 13.324 295 HD3 PRO 41 1HD PRO 41 -4.574 -2.575 13.143 296 H ALA 42 H ALA 42 -8.200 -2.980 10.789 297 HA ALA 42 HA ALA 42 -9.513 -4.416 8.744 298 HB1 ALA 42 1HB ALA 42 -10.678 -3.346 10.630 299 HB2 ALA 42 2HB ALA 42 -11.353 -2.882 9.070 300 HB3 ALA 42 3HB ALA 42 -10.305 -1.765 9.943 301 H ASP 43 H ASP 43 -7.769 -1.386 8.747 302 HA ASP 43 HA ASP 43 -8.717 -0.322 6.319 303 HB2 ASP 43 2HB ASP 43 -6.047 0.042 7.699 304 HB3 ASP 43 1HB ASP 43 -6.602 1.011 6.342 305 H ILE 44 H ILE 44 -5.725 -2.023 7.087 306 HA ILE 44 HA ILE 44 -4.893 -2.232 4.406 307 HB ILE 44 HB ILE 44 -3.842 -2.786 6.980 308 HG12 ILE 44 2HG1 ILE 44 -2.653 -2.672 4.208 309 HG13 ILE 44 1HG1 ILE 44 -2.831 -1.343 5.346 310 HG21 ILE 44 1HG2 ILE 44 -3.373 -5.046 5.041 311 HG22 ILE 44 2HG2 ILE 44 -4.271 -5.153 6.556 312 HG23 ILE 44 3HG2 ILE 44 -2.542 -4.804 6.578 313 HD11 ILE 44 3HD1 ILE 44 -1.012 -3.721 5.614 314 HD12 ILE 44 1HD1 ILE 44 -1.246 -2.487 6.854 315 HD13 ILE 44 2HD1 ILE 44 -0.549 -2.048 5.293 316 H LYS 45 H LYS 45 -6.928 -4.235 6.400 317 HA LYS 45 HA LYS 45 -6.715 -6.649 4.975 318 HB2 LYS 45 2HB LYS 45 -7.877 -6.278 7.201 319 HB3 LYS 45 1HB LYS 45 -9.233 -5.634 6.289 320 HG2 LYS 45 2HG LYS 45 -9.718 -7.902 6.772 321 HG3 LYS 45 1HG LYS 45 -9.326 -7.806 5.054 322 HD2 LYS 45 2HD LYS 45 -7.020 -8.551 5.576 323 HD3 LYS 45 1HD LYS 45 -7.492 -8.726 7.270 324 HE2 LYS 45 2HE LYS 45 -9.296 -10.301 6.460 325 HE3 LYS 45 1HE LYS 45 -8.495 -10.256 4.888 326 HZ1 LYS 45 3HZ LYS 45 -6.460 -11.033 6.003 327 HZ2 LYS 45 1HZ LYS 45 -7.729 -12.144 6.105 328 HZ3 LYS 45 2HZ LYS 45 -7.325 -11.197 7.445 329 H LYS 46 H LYS 46 -8.919 -3.881 4.559 330 HA LYS 46 HA LYS 46 -10.197 -5.085 2.303 331 HB2 LYS 46 2HB LYS 46 -11.348 -2.972 2.010 332 HB3 LYS 46 1HB LYS 46 -11.368 -3.435 3.699 333 HG2 LYS 46 2HG LYS 46 -10.938 -1.189 3.825 334 HG3 LYS 46 1HG LYS 46 -9.311 -1.863 3.892 335 HD2 LYS 46 2HD LYS 46 -9.164 -0.077 2.367 336 HD3 LYS 46 1HD LYS 46 -9.242 -1.523 1.363 337 HE2 LYS 46 2HE LYS 46 -11.596 0.251 2.016 338 HE3 LYS 46 1HE LYS 46 -10.654 0.341 0.531 339 HZ1 LYS 46 3HZ LYS 46 -12.514 -0.939 0.006 340 HZ2 LYS 46 1HZ LYS 46 -12.440 -1.836 1.436 341 HZ3 LYS 46 2HZ LYS 46 -11.291 -2.079 0.221 342 H VAL 47 H VAL 47 -7.374 -3.146 2.795 343 HA VAL 47 HA VAL 47 -6.960 -2.383 0.104 344 HB VAL 47 HB VAL 47 -4.935 -2.848 2.302 345 HG11 VAL 47 1HG1 VAL 47 -3.874 -2.996 0.110 346 HG12 VAL 47 2HG1 VAL 47 -3.406 -1.508 0.933 347 HG13 VAL 47 3HG1 VAL 47 -4.605 -1.462 -0.357 348 HG21 VAL 47 3HG2 VAL 47 -4.952 -0.404 2.495 349 HG22 VAL 47 1HG2 VAL 47 -6.550 -1.086 2.806 350 HG23 VAL 47 2HG2 VAL 47 -6.204 -0.316 1.257 351 H PHE 48 H PHE 48 -6.187 -5.271 1.955 352 HA PHE 48 HA PHE 48 -4.746 -6.673 0.014 353 HB2 PHE 48 2HB PHE 48 -6.650 -7.689 2.127 354 HB3 PHE 48 1HB PHE 48 -5.632 -8.733 1.147 355 HD1 PHE 48 1HD PHE 48 -3.519 -6.155 1.436 356 HD2 PHE 48 2HD PHE 48 -5.435 -9.000 3.958 357 HE1 PHE 48 1HE PHE 48 -1.698 -5.928 3.070 358 HE2 PHE 48 2HE PHE 48 -3.618 -8.774 5.597 359 HZ PHE 48 HZ PHE 48 -1.747 -7.236 5.155 360 H GLU 49 H GLU 49 -8.202 -6.260 0.508 361 HA GLU 49 HA GLU 49 -9.013 -7.948 -1.628 362 HB2 GLU 49 2HB GLU 49 -10.471 -5.593 -0.423 363 HB3 GLU 49 1HB GLU 49 -11.188 -6.844 -1.427 364 HG2 GLU 49 2HG GLU 49 -10.668 -8.512 0.283 365 HG3 GLU 49 1HG GLU 49 -9.960 -7.248 1.291 366 H ILE 50 H ILE 50 -7.682 -4.770 -1.549 367 HA ILE 50 HA ILE 50 -8.787 -3.869 -4.024 368 HB ILE 50 HB ILE 50 -6.291 -2.870 -2.654 369 HG12 ILE 50 2HG1 ILE 50 -9.129 -1.830 -2.506 370 HG13 ILE 50 1HG1 ILE 50 -8.339 -2.759 -1.237 371 HG21 ILE 50 1HG2 ILE 50 -8.078 -1.409 -4.582 372 HG22 ILE 50 2HG2 ILE 50 -6.655 -2.304 -5.095 373 HG23 ILE 50 3HG2 ILE 50 -6.482 -0.932 -4.001 374 HD11 ILE 50 3HD1 ILE 50 -8.222 -0.474 -0.628 375 HD12 ILE 50 1HD1 ILE 50 -7.618 -0.017 -2.222 376 HD13 ILE 50 2HD1 ILE 50 -6.604 -0.964 -1.135 377 H ILE 51 H ILE 51 -5.566 -5.298 -3.213 378 HA ILE 51 HA ILE 51 -4.631 -5.086 -5.892 379 HB ILE 51 HB ILE 51 -3.026 -7.031 -5.267 380 HG12 ILE 51 2HG1 ILE 51 -4.551 -7.447 -3.114 381 HG13 ILE 51 1HG1 ILE 51 -2.810 -7.711 -3.080 382 HG21 ILE 51 1HG2 ILE 51 -2.392 -4.705 -5.503 383 HG22 ILE 51 2HG2 ILE 51 -1.519 -5.482 -4.181 384 HG23 ILE 51 3HG2 ILE 51 -2.862 -4.388 -3.833 385 HD11 ILE 51 3HD1 ILE 51 -3.299 -6.552 -1.116 386 HD12 ILE 51 1HD1 ILE 51 -4.368 -5.412 -1.937 387 HD13 ILE 51 2HD1 ILE 51 -2.627 -5.337 -2.198 388 H ASP 52 H ASP 52 -6.483 -7.463 -4.166 389 HA ASP 52 HA ASP 52 -6.737 -9.110 -6.535 390 HB2 ASP 52 2HB ASP 52 -6.847 -9.982 -4.108 391 HB3 ASP 52 1HB ASP 52 -8.449 -9.271 -4.053 392 H GLN 53 H GLN 53 -7.368 -7.128 -7.727 393 HA GLN 53 HA GLN 53 -9.500 -5.478 -7.223 394 HB2 GLN 53 2HB GLN 53 -7.891 -5.145 -9.054 395 HB3 GLN 53 1HB GLN 53 -8.602 -6.501 -9.922 396 HG2 GLN 53 2HG GLN 53 -10.758 -5.255 -9.954 397 HG3 GLN 53 1HG GLN 53 -9.905 -3.879 -9.261 398 HE21 GLN 53 1HE2 GLN 53 -8.484 -6.048 -11.605 399 HE22 GLN 53 2HE2 GLN 53 -8.427 -4.911 -12.902 400 H ASP 54 H ASP 54 -9.550 -8.436 -9.131 401 HA ASP 54 HA ASP 54 -12.411 -8.438 -9.403 402 HB2 ASP 54 2HB ASP 54 -12.172 -10.440 -10.636 403 HB3 ASP 54 1HB ASP 54 -10.745 -9.489 -11.025 404 H LYS 55 H LYS 55 -10.210 -9.569 -7.035 405 HA LYS 55 HA LYS 55 -10.446 -10.565 -5.040 406 HB2 LYS 55 2HB LYS 55 -12.012 -8.760 -4.686 407 HB3 LYS 55 1HB LYS 55 -13.323 -9.725 -5.357 408 HG2 LYS 55 2HG LYS 55 -13.300 -11.200 -3.507 409 HG3 LYS 55 1HG LYS 55 -11.763 -10.558 -2.926 410 HD2 LYS 55 2HD LYS 55 -13.747 -9.774 -1.637 411 HD3 LYS 55 1HD LYS 55 -12.780 -8.475 -2.334 412 HE2 LYS 55 2HE LYS 55 -15.164 -8.051 -2.616 413 HE3 LYS 55 1HE LYS 55 -14.365 -8.263 -4.169 414 HZ1 LYS 55 3HZ LYS 55 -15.969 -10.321 -2.751 415 HZ2 LYS 55 1HZ LYS 55 -15.201 -10.531 -4.244 416 HZ3 LYS 55 2HZ LYS 55 -16.469 -9.429 -4.096 417 H SER 56 H SER 56 -9.958 -12.495 -6.380 418 HA SER 56 HA SER 56 -12.010 -14.536 -5.859 419 HB2 SER 56 2HB SER 56 -10.108 -14.602 -8.209 420 HB3 SER 56 1HB SER 56 -11.446 -15.701 -7.886 421 HG SER 56 HG SER 56 -11.456 -13.237 -9.074 422 H ASP 57 H ASP 57 -9.760 -13.606 -4.260 423 HA ASP 57 HA ASP 57 -8.301 -14.502 -2.783 424 HB2 ASP 57 2HB ASP 57 -9.147 -17.123 -4.018 425 HB3 ASP 57 1HB ASP 57 -8.049 -16.999 -2.647 426 H PHE 58 H PHE 58 -7.721 -14.024 -5.786 427 HA PHE 58 HA PHE 58 -4.896 -14.702 -5.560 428 HB2 PHE 58 2HB PHE 58 -6.605 -15.432 -7.952 429 HB3 PHE 58 1HB PHE 58 -4.845 -15.414 -7.975 430 HD1 PHE 58 2HD PHE 58 -3.610 -16.973 -6.419 431 HD2 PHE 58 1HD PHE 58 -7.784 -17.299 -7.179 432 HE1 PHE 58 2HE PHE 58 -3.577 -19.289 -5.590 433 HE2 PHE 58 1HE PHE 58 -7.758 -19.615 -6.352 434 HZ PHE 58 HZ PHE 58 -5.651 -20.613 -5.555 435 H VAL 59 H VAL 59 -3.639 -13.045 -6.261 436 HA VAL 59 HA VAL 59 -4.982 -10.877 -7.709 437 HB VAL 59 HB VAL 59 -4.910 -9.581 -5.930 438 HG11 VAL 59 1HG1 VAL 59 -3.348 -11.695 -4.494 439 HG12 VAL 59 2HG1 VAL 59 -5.105 -11.566 -4.574 440 HG13 VAL 59 3HG1 VAL 59 -4.165 -10.326 -3.742 441 HG21 VAL 59 3HG2 VAL 59 -1.955 -9.953 -5.982 442 HG22 VAL 59 1HG2 VAL 59 -2.781 -8.871 -4.862 443 HG23 VAL 59 2HG2 VAL 59 -2.899 -8.600 -6.604 444 H GLU 60 H GLU 60 -4.075 -11.175 -9.642 445 HA GLU 60 HA GLU 60 -1.218 -11.743 -9.872 446 HB2 GLU 60 2HB GLU 60 -3.065 -13.042 -11.046 447 HB3 GLU 60 1HB GLU 60 -3.268 -11.640 -12.081 448 HG2 GLU 60 2HG GLU 60 -0.999 -11.876 -12.891 449 HG3 GLU 60 1HG GLU 60 -0.731 -13.234 -11.798 450 H GLU 61 H GLU 61 -0.231 -10.698 -12.035 451 HA GLU 61 HA GLU 61 0.178 -7.994 -11.568 452 HB2 GLU 61 2HB GLU 61 1.870 -8.929 -12.810 453 HB3 GLU 61 1HB GLU 61 0.765 -9.799 -13.863 454 HG2 GLU 61 2HG GLU 61 0.341 -7.913 -15.177 455 HG3 GLU 61 1HG GLU 61 0.989 -6.787 -13.981 456 H ASP 62 H ASP 62 -2.095 -9.491 -13.881 457 HA ASP 62 HA ASP 62 -2.910 -7.108 -15.126 458 HB2 ASP 62 2HB ASP 62 -4.215 -9.773 -14.742 459 HB3 ASP 62 1HB ASP 62 -5.173 -8.434 -15.366 460 H GLU 63 H GLU 63 -3.730 -8.518 -12.081 461 HA GLU 63 HA GLU 63 -5.904 -6.717 -11.552 462 HB2 GLU 63 2HB GLU 63 -4.375 -8.603 -9.760 463 HB3 GLU 63 1HB GLU 63 -5.821 -7.713 -9.289 464 HG2 GLU 63 2HG GLU 63 -7.145 -8.870 -10.885 465 HG3 GLU 63 1HG GLU 63 -5.722 -9.630 -11.598 466 H LEU 64 H LEU 64 -2.520 -7.051 -10.523 467 HA LEU 64 HA LEU 64 -2.425 -4.755 -8.895 468 HB2 LEU 64 2HB LEU 64 -0.468 -6.508 -10.223 469 HB3 LEU 64 1HB LEU 64 0.092 -4.877 -9.917 470 HG LEU 64 HG LEU 64 0.728 -6.398 -8.121 471 HD11 LEU 64 1HD1 LEU 64 0.351 -4.052 -7.608 472 HD12 LEU 64 2HD1 LEU 64 -0.099 -5.084 -6.250 473 HD13 LEU 64 3HD1 LEU 64 -1.348 -4.390 -7.283 474 HD21 LEU 64 3HD2 LEU 64 -0.971 -7.356 -6.652 475 HD22 LEU 64 1HD2 LEU 64 -1.114 -7.978 -8.297 476 HD23 LEU 64 2HD2 LEU 64 -2.235 -6.745 -7.719 477 H LYS 65 H LYS 65 -2.643 -5.144 -12.242 478 HA LYS 65 HA LYS 65 -1.476 -2.689 -13.052 479 HB2 LYS 65 2HB LYS 65 -2.214 -4.931 -14.344 480 HB3 LYS 65 1HB LYS 65 -3.643 -3.957 -14.649 481 HG2 LYS 65 2HG LYS 65 -2.127 -3.779 -16.496 482 HG3 LYS 65 1HG LYS 65 -2.226 -2.229 -15.664 483 HD2 LYS 65 2HD LYS 65 0.086 -3.066 -16.381 484 HD3 LYS 65 1HD LYS 65 -0.083 -2.458 -14.741 485 HE2 LYS 65 2HE LYS 65 -0.028 -4.628 -13.868 486 HE3 LYS 65 1HE LYS 65 -0.295 -5.365 -15.450 487 HZ1 LYS 65 3HZ LYS 65 1.879 -4.504 -16.146 488 HZ2 LYS 65 1HZ LYS 65 2.022 -5.564 -14.834 489 HZ3 LYS 65 2HZ LYS 65 2.146 -3.893 -14.589 490 H LEU 66 H LEU 66 -4.827 -3.788 -12.622 491 HA LEU 66 HA LEU 66 -5.679 -0.991 -12.782 492 HB2 LEU 66 2HB LEU 66 -7.354 -3.480 -13.013 493 HB3 LEU 66 1HB LEU 66 -7.884 -1.831 -13.305 494 HG LEU 66 HG LEU 66 -5.932 -3.443 -14.937 495 HD11 LEU 66 1HD1 LEU 66 -8.577 -2.173 -15.614 496 HD12 LEU 66 2HD1 LEU 66 -8.268 -3.895 -15.391 497 HD13 LEU 66 3HD1 LEU 66 -7.526 -3.035 -16.738 498 HD21 LEU 66 3HD2 LEU 66 -5.618 -1.473 -16.325 499 HD22 LEU 66 1HD2 LEU 66 -5.085 -1.158 -14.669 500 HD23 LEU 66 2HD2 LEU 66 -6.635 -0.525 -15.240 501 H PHE 67 H PHE 67 -4.793 -2.983 -10.402 502 HA PHE 67 HA PHE 67 -6.939 -2.880 -8.575 503 HB2 PHE 67 2HB PHE 67 -5.517 -3.779 -7.044 504 HB3 PHE 67 1HB PHE 67 -4.512 -4.054 -8.456 505 HD1 PHE 67 1HD PHE 67 -2.596 -2.511 -8.898 506 HD2 PHE 67 2HD PHE 67 -4.821 -2.381 -5.283 507 HE1 PHE 67 1HE PHE 67 -0.755 -1.297 -7.810 508 HE2 PHE 67 2HE PHE 67 -2.994 -1.160 -4.189 509 HZ PHE 67 HZ PHE 67 -0.953 -0.617 -5.454 510 H LEU 68 H LEU 68 -4.656 -0.546 -9.689 511 HA LEU 68 HA LEU 68 -4.895 1.443 -7.736 512 HB2 LEU 68 2HB LEU 68 -4.579 1.786 -10.721 513 HB3 LEU 68 1HB LEU 68 -4.332 3.045 -9.534 514 HG LEU 68 HG LEU 68 -2.194 2.352 -10.190 515 HD11 LEU 68 1HD1 LEU 68 -2.811 0.936 -7.607 516 HD12 LEU 68 2HD1 LEU 68 -2.417 2.647 -7.791 517 HD13 LEU 68 3HD1 LEU 68 -1.211 1.417 -8.171 518 HD21 LEU 68 3HD2 LEU 68 -1.435 0.102 -10.363 519 HD22 LEU 68 1HD2 LEU 68 -2.952 0.227 -11.261 520 HD23 LEU 68 2HD2 LEU 68 -2.926 -0.517 -9.658 521 H GLN 69 H GLN 69 -6.834 0.704 -10.578 522 HA GLN 69 HA GLN 69 -8.620 2.898 -10.249 523 HB2 GLN 69 2HB GLN 69 -8.938 0.314 -11.789 524 HB3 GLN 69 1HB GLN 69 -10.023 1.694 -11.904 525 HG2 GLN 69 2HG GLN 69 -8.179 3.068 -12.743 526 HG3 GLN 69 1HG GLN 69 -7.104 1.672 -12.642 527 HE21 GLN 69 1HE2 GLN 69 -6.682 1.764 -14.848 528 HE22 GLN 69 2HE2 GLN 69 -7.837 1.250 -16.026 529 H ASN 70 H ASN 70 -8.233 -0.111 -8.725 530 HA ASN 70 HA ASN 70 -10.971 -0.210 -7.725 531 HB2 ASN 70 2HB ASN 70 -9.583 -2.283 -8.138 532 HB3 ASN 70 1HB ASN 70 -8.591 -1.811 -6.763 533 HD21 ASN 70 1HD2 ASN 70 -11.665 -3.016 -7.802 534 HD22 ASN 70 2HD2 ASN 70 -12.237 -3.492 -6.242 535 H PHE 71 H PHE 71 -7.768 0.736 -6.686 536 HA PHE 71 HA PHE 71 -8.381 1.453 -4.021 537 HB2 PHE 71 2HB PHE 71 -6.112 1.421 -5.637 538 HB3 PHE 71 1HB PHE 71 -6.359 3.128 -5.295 539 HD1 PHE 71 1HD PHE 71 -7.161 3.369 -2.624 540 HD2 PHE 71 2HD PHE 71 -4.520 0.489 -4.306 541 HE1 PHE 71 1HE PHE 71 -6.074 3.090 -0.434 542 HE2 PHE 71 2HE PHE 71 -3.433 0.202 -2.119 543 HZ PHE 71 HZ PHE 71 -4.211 1.504 -0.179 544 H SER 72 H SER 72 -8.185 3.310 -7.023 545 HA SER 72 HA SER 72 -10.340 5.041 -6.146 546 HB2 SER 72 2HB SER 72 -7.633 6.150 -6.955 547 HB3 SER 72 1HB SER 72 -9.086 7.107 -6.665 548 HG SER 72 HG SER 72 -8.705 5.550 -4.551 549 H ALA 73 H ALA 73 -11.575 5.651 -7.819 550 HA ALA 73 HA ALA 73 -11.605 4.042 -10.059 551 HB1 ALA 73 1HB ALA 73 -12.954 6.716 -9.774 552 HB2 ALA 73 2HB ALA 73 -13.554 5.198 -9.107 553 HB3 ALA 73 3HB ALA 73 -13.422 5.404 -10.853 554 H GLY 74 H GLY 74 -10.145 7.218 -9.700 555 HA2 GLY 74 2HA GLY 74 -9.309 7.051 -12.531 556 HA3 GLY 74 1HA GLY 74 -9.506 8.561 -11.652 557 H ALA 75 H ALA 75 -7.646 5.543 -11.602 558 HA ALA 75 HA ALA 75 -5.350 7.096 -10.601 559 HB1 ALA 75 1HB ALA 75 -6.210 5.613 -8.873 560 HB2 ALA 75 2HB ALA 75 -4.612 5.095 -9.409 561 HB3 ALA 75 3HB ALA 75 -6.052 4.236 -9.962 562 H ARG 76 H ARG 76 -3.319 6.584 -11.433 563 HA ARG 76 HA ARG 76 -3.232 5.571 -14.078 564 HB2 ARG 76 2HB ARG 76 -1.017 6.293 -12.154 565 HB3 ARG 76 1HB ARG 76 -0.751 5.820 -13.823 566 HG2 ARG 76 2HG ARG 76 -0.707 8.088 -14.028 567 HG3 ARG 76 1HG ARG 76 -2.411 7.766 -14.334 568 HD2 ARG 76 2HD ARG 76 -2.927 8.308 -12.000 569 HD3 ARG 76 1HD ARG 76 -1.221 8.660 -11.715 570 HE ARG 76 HE ARG 76 -2.214 10.167 -13.903 571 HH11 ARG 76 1HH1 ARG 76 -2.250 10.057 -10.402 572 HH12 ARG 76 2HH1 ARG 76 -2.558 11.754 -10.227 573 HH21 ARG 76 1HH2 ARG 76 -2.577 12.401 -13.672 574 HH22 ARG 76 2HH2 ARG 76 -2.734 13.090 -12.088 575 H ALA 77 H ALA 77 -2.882 3.561 -14.775 576 HA ALA 77 HA ALA 77 -2.506 1.404 -12.942 577 HB1 ALA 77 1HB ALA 77 -2.307 1.393 -15.954 578 HB2 ALA 77 2HB ALA 77 -3.781 1.127 -15.023 579 HB3 ALA 77 3HB ALA 77 -2.446 -0.025 -14.912 580 H LEU 78 H LEU 78 -0.651 0.838 -12.065 581 HA LEU 78 HA LEU 78 1.884 1.787 -12.847 582 HB2 LEU 78 2HB LEU 78 0.911 -0.391 -11.041 583 HB3 LEU 78 1HB LEU 78 2.613 -0.307 -11.436 584 HG LEU 78 HG LEU 78 2.866 1.794 -10.354 585 HD11 LEU 78 1HD1 LEU 78 0.998 3.028 -9.356 586 HD12 LEU 78 2HD1 LEU 78 -0.135 1.871 -10.050 587 HD13 LEU 78 3HD1 LEU 78 0.826 2.903 -11.107 588 HD21 LEU 78 3HD2 LEU 78 2.821 -0.118 -8.875 589 HD22 LEU 78 1HD2 LEU 78 1.067 0.005 -8.730 590 HD23 LEU 78 2HD2 LEU 78 2.099 1.279 -8.076 591 H SER 79 H SER 79 3.031 1.229 -14.581 592 HA SER 79 HA SER 79 2.300 -1.268 -15.938 593 HB2 SER 79 2HB SER 79 3.155 -0.022 -17.997 594 HB3 SER 79 1HB SER 79 1.654 0.572 -17.285 595 HG SER 79 HG SER 79 4.193 1.741 -17.355 596 H ASP 80 H ASP 80 3.863 -2.458 -17.020 597 HA ASP 80 HA ASP 80 5.848 -3.454 -17.410 598 HB2 ASP 80 2HB ASP 80 6.089 -1.270 -18.645 599 HB3 ASP 80 1HB ASP 80 7.029 -0.684 -17.280 600 H ALA 81 H ALA 81 7.909 -1.183 -15.931 601 HA ALA 81 HA ALA 81 8.878 -3.338 -14.322 602 HB1 ALA 81 1HB ALA 81 10.771 -1.905 -13.847 603 HB2 ALA 81 2HB ALA 81 9.928 -0.525 -14.547 604 HB3 ALA 81 3HB ALA 81 10.404 -1.877 -15.572 605 H GLU 82 H GLU 82 6.876 -0.598 -13.794 606 HA GLU 82 HA GLU 82 7.408 -0.153 -11.050 607 HB2 GLU 82 2HB GLU 82 4.661 0.207 -12.199 608 HB3 GLU 82 1HB GLU 82 5.505 1.198 -11.018 609 HG2 GLU 82 2HG GLU 82 6.016 1.055 -13.967 610 HG3 GLU 82 1HG GLU 82 5.307 2.403 -13.076 611 H THR 83 H THR 83 4.889 -1.998 -12.709 612 HA THR 83 HA THR 83 3.777 -3.196 -10.437 613 HB THR 83 HB THR 83 3.942 -4.902 -12.838 614 HG1 THR 83 1HG THR 83 2.484 -2.449 -12.961 615 HG21 THR 83 3HG2 THR 83 2.402 -5.352 -10.981 616 HG22 THR 83 1HG2 THR 83 1.527 -5.038 -12.480 617 HG23 THR 83 2HG2 THR 83 1.634 -3.785 -11.241 618 H LYS 84 H LYS 84 6.523 -4.102 -12.443 619 HA LYS 84 HA LYS 84 6.971 -6.678 -11.488 620 HB2 LYS 84 2HB LYS 84 8.066 -5.810 -13.473 621 HB3 LYS 84 1HB LYS 84 8.933 -4.624 -12.512 622 HG2 LYS 84 2HG LYS 84 10.429 -6.394 -13.063 623 HG3 LYS 84 1HG LYS 84 10.074 -6.476 -11.337 624 HD2 LYS 84 2HD LYS 84 10.040 -8.707 -12.271 625 HD3 LYS 84 1HD LYS 84 8.402 -8.246 -11.806 626 HE2 LYS 84 2HE LYS 84 7.906 -7.680 -14.137 627 HE3 LYS 84 1HE LYS 84 9.543 -8.135 -14.596 628 HZ1 LYS 84 3HZ LYS 84 7.924 -9.886 -15.049 629 HZ2 LYS 84 1HZ LYS 84 7.542 -9.973 -13.407 630 HZ3 LYS 84 2HZ LYS 84 9.090 -10.391 -13.936 631 H VAL 85 H VAL 85 8.726 -3.722 -10.501 632 HA VAL 85 HA VAL 85 10.035 -5.068 -8.357 633 HB VAL 85 HB VAL 85 11.106 -3.189 -9.447 634 HG11 VAL 85 1HG1 VAL 85 8.850 -1.520 -8.358 635 HG12 VAL 85 2HG1 VAL 85 9.165 -1.896 -10.053 636 HG13 VAL 85 3HG1 VAL 85 10.298 -0.892 -9.145 637 HG21 VAL 85 3HG2 VAL 85 11.778 -1.878 -7.481 638 HG22 VAL 85 1HG2 VAL 85 11.737 -3.609 -7.145 639 HG23 VAL 85 2HG2 VAL 85 10.433 -2.568 -6.576 640 H PHE 86 H PHE 86 7.078 -3.259 -8.659 641 HA PHE 86 HA PHE 86 6.649 -2.813 -5.886 642 HB2 PHE 86 2HB PHE 86 5.503 -1.500 -7.602 643 HB3 PHE 86 1HB PHE 86 4.685 -2.935 -8.190 644 HD1 PHE 86 2HD PHE 86 4.996 -0.657 -5.299 645 HD2 PHE 86 1HD PHE 86 2.655 -3.645 -7.218 646 HE1 PHE 86 2HE PHE 86 3.142 -0.187 -3.752 647 HE2 PHE 86 1HE PHE 86 0.796 -3.177 -5.675 648 HZ PHE 86 HZ PHE 86 1.039 -1.449 -3.942 649 H LEU 87 H LEU 87 5.746 -5.407 -8.126 650 HA LEU 87 HA LEU 87 4.248 -6.937 -6.291 651 HB2 LEU 87 2HB LEU 87 5.794 -7.682 -8.767 652 HB3 LEU 87 1HB LEU 87 4.934 -8.878 -7.818 653 HG LEU 87 HG LEU 87 3.586 -6.468 -9.041 654 HD11 LEU 87 1HD1 LEU 87 4.553 -7.864 -10.807 655 HD12 LEU 87 2HD1 LEU 87 2.791 -7.945 -10.801 656 HD13 LEU 87 3HD1 LEU 87 3.740 -9.275 -10.132 657 HD21 LEU 87 3HD2 LEU 87 2.596 -9.003 -7.758 658 HD22 LEU 87 1HD2 LEU 87 1.573 -7.958 -8.744 659 HD23 LEU 87 2HD2 LEU 87 2.294 -7.338 -7.260 660 H LYS 88 H LYS 88 7.688 -6.914 -7.124 661 HA LYS 88 HA LYS 88 8.470 -9.039 -5.449 662 HB2 LYS 88 2HB LYS 88 9.934 -6.725 -6.673 663 HB3 LYS 88 1HB LYS 88 10.749 -7.794 -5.541 664 HG2 LYS 88 2HG LYS 88 9.415 -8.696 -8.083 665 HG3 LYS 88 1HG LYS 88 11.142 -8.379 -7.902 666 HD2 LYS 88 2HD LYS 88 11.058 -10.052 -5.969 667 HD3 LYS 88 1HD LYS 88 9.486 -10.527 -6.615 668 HE2 LYS 88 2HE LYS 88 12.128 -10.612 -8.065 669 HE3 LYS 88 1HE LYS 88 11.215 -11.995 -7.467 670 HZ1 LYS 88 3HZ LYS 88 9.402 -11.313 -9.000 671 HZ2 LYS 88 1HZ LYS 88 10.824 -11.777 -9.791 672 HZ3 LYS 88 2HZ LYS 88 10.433 -10.142 -9.644 673 H ALA 89 H ALA 89 7.831 -5.682 -4.787 674 HA ALA 89 HA ALA 89 9.251 -5.324 -2.419 675 HB1 ALA 89 1HB ALA 89 7.708 -3.534 -1.911 676 HB2 ALA 89 2HB ALA 89 6.540 -4.172 -3.066 677 HB3 ALA 89 3HB ALA 89 8.077 -3.521 -3.636 678 H GLY 90 H GLY 90 6.157 -6.866 -3.008 679 HA2 GLY 90 2HA GLY 90 5.940 -7.439 -0.124 680 HA3 GLY 90 1HA GLY 90 4.591 -7.441 -1.252 681 H ASP 91 H ASP 91 5.403 -8.971 -3.288 682 HA ASP 91 HA ASP 91 5.264 -11.585 -2.089 683 HB2 ASP 91 2HB ASP 91 3.973 -10.920 -4.138 684 HB3 ASP 91 1HB ASP 91 5.500 -10.908 -5.021 685 H SER 92 H SER 92 6.997 -12.709 -1.512 686 HA SER 92 HA SER 92 9.598 -11.712 -2.340 687 HB2 SER 92 2HB SER 92 9.052 -12.213 0.068 688 HB3 SER 92 1HB SER 92 8.992 -13.920 -0.364 689 HG SER 92 HG SER 92 11.150 -13.862 -0.874 690 H ASP 93 H ASP 93 7.414 -14.142 -3.182 691 HA ASP 93 HA ASP 93 9.386 -16.042 -4.125 692 HB2 ASP 93 2HB ASP 93 6.672 -16.083 -5.333 693 HB3 ASP 93 1HB ASP 93 7.654 -17.413 -4.743 694 H GLY 94 H GLY 94 7.749 -13.252 -5.302 695 HA2 GLY 94 2HA GLY 94 7.914 -12.078 -7.269 696 HA3 GLY 94 1HA GLY 94 9.293 -13.090 -7.689 697 H ASP 95 H ASP 95 6.107 -14.290 -6.875 698 HA ASP 95 HA ASP 95 6.193 -15.926 -9.249 699 HB2 ASP 95 2HB ASP 95 4.249 -17.066 -8.329 700 HB3 ASP 95 1HB ASP 95 5.483 -16.877 -7.090 701 H GLY 96 H GLY 96 4.967 -12.880 -8.571 702 HA2 GLY 96 2HA GLY 96 4.214 -11.570 -10.436 703 HA3 GLY 96 1HA GLY 96 3.456 -13.011 -11.094 704 H LYS 97 H LYS 97 2.615 -13.334 -8.052 705 HA LYS 97 HA LYS 97 0.300 -11.505 -8.248 706 HB2 LYS 97 2HB LYS 97 -1.123 -13.153 -7.507 707 HB3 LYS 97 1HB LYS 97 0.042 -14.152 -8.361 708 HG2 LYS 97 2HG LYS 97 1.173 -14.638 -6.232 709 HG3 LYS 97 1HG LYS 97 -0.022 -13.649 -5.391 710 HD2 LYS 97 2HD LYS 97 -0.572 -16.026 -5.227 711 HD3 LYS 97 1HD LYS 97 -1.806 -15.143 -6.126 712 HE2 LYS 97 2HE LYS 97 -1.308 -17.266 -7.202 713 HE3 LYS 97 1HE LYS 97 -0.826 -15.920 -8.231 714 HZ1 LYS 97 3HZ LYS 97 1.470 -16.227 -7.393 715 HZ2 LYS 97 1HZ LYS 97 0.883 -17.565 -8.255 716 HZ3 LYS 97 2HZ LYS 97 0.950 -17.616 -6.569 717 H ILE 98 H ILE 98 -0.558 -10.774 -6.184 718 HA ILE 98 HA ILE 98 1.607 -10.519 -4.215 719 HB ILE 98 HB ILE 98 -0.828 -8.846 -4.760 720 HG12 ILE 98 2HG1 ILE 98 1.229 -8.351 -6.007 721 HG13 ILE 98 1HG1 ILE 98 0.788 -7.032 -4.927 722 HG21 ILE 98 1HG2 ILE 98 0.922 -8.646 -2.322 723 HG22 ILE 98 2HG2 ILE 98 -0.753 -9.198 -2.350 724 HG23 ILE 98 3HG2 ILE 98 -0.367 -7.531 -2.777 725 HD11 ILE 98 3HD1 ILE 98 2.978 -9.058 -4.558 726 HD12 ILE 98 1HD1 ILE 98 2.447 -7.952 -3.290 727 HD13 ILE 98 2HD1 ILE 98 3.133 -7.318 -4.783 728 H GLY 99 H GLY 99 1.495 -12.175 -2.797 729 HA2 GLY 99 2HA GLY 99 -0.871 -13.250 -1.720 730 HA3 GLY 99 1HA GLY 99 0.688 -13.202 -0.895 731 H VAL 100 H VAL 100 -2.216 -12.511 -0.048 732 HA VAL 100 HA VAL 100 -2.500 -9.788 0.135 733 HB VAL 100 HB VAL 100 -3.933 -10.356 2.152 734 HG11 VAL 100 1HG1 VAL 100 -5.708 -11.180 0.715 735 HG12 VAL 100 2HG1 VAL 100 -4.518 -11.743 -0.458 736 HG13 VAL 100 3HG1 VAL 100 -4.728 -10.014 -0.179 737 HG21 VAL 100 3HG2 VAL 100 -4.555 -12.648 2.487 738 HG22 VAL 100 1HG2 VAL 100 -2.817 -12.470 2.725 739 HG23 VAL 100 2HG2 VAL 100 -3.435 -13.165 1.225 740 H ASP 101 H ASP 101 -0.952 -12.006 2.420 741 HA ASP 101 HA ASP 101 -0.337 -9.853 4.223 742 HB2 ASP 101 2HB ASP 101 0.738 -11.540 5.581 743 HB3 ASP 101 1HB ASP 101 -0.819 -12.132 4.999 744 H GLU 102 H GLU 102 1.137 -11.281 1.472 745 HA GLU 102 HA GLU 102 3.803 -10.421 1.833 746 HB2 GLU 102 2HB GLU 102 2.184 -10.583 -0.732 747 HB3 GLU 102 1HB GLU 102 3.930 -10.405 -0.644 748 HG2 GLU 102 2HG GLU 102 2.446 -12.765 0.479 749 HG3 GLU 102 1HG GLU 102 3.100 -12.704 -1.156 750 H PHE 103 H PHE 103 0.905 -8.882 0.548 751 HA PHE 103 HA PHE 103 2.064 -6.447 -0.247 752 HB2 PHE 103 2HB PHE 103 -0.262 -7.389 -0.806 753 HB3 PHE 103 1HB PHE 103 -0.767 -6.728 0.744 754 HD1 PHE 103 1HD PHE 103 0.837 -5.769 -2.459 755 HD2 PHE 103 2HD PHE 103 -1.455 -4.514 0.897 756 HE1 PHE 103 1HE PHE 103 0.482 -3.586 -3.528 757 HE2 PHE 103 2HE PHE 103 -1.812 -2.324 -0.172 758 HZ PHE 103 HZ PHE 103 -0.845 -1.860 -2.385 759 H GLY 104 H GLY 104 0.380 -7.373 2.738 760 HA2 GLY 104 2HA GLY 104 0.525 -4.942 4.080 761 HA3 GLY 104 1HA GLY 104 0.498 -6.515 4.862 762 H ALA 105 H ALA 105 2.965 -7.435 3.685 763 HA ALA 105 HA ALA 105 4.776 -6.353 5.599 764 HB1 ALA 105 1HB ALA 105 5.335 -8.213 3.292 765 HB2 ALA 105 2HB ALA 105 4.830 -8.705 4.908 766 HB3 ALA 105 3HB ALA 105 6.389 -7.915 4.675 767 H MET 106 H MET 106 4.207 -5.751 2.172 768 HA MET 106 HA MET 106 6.706 -4.362 1.808 769 HB2 MET 106 2HB MET 106 6.101 -4.009 -0.395 770 HB3 MET 106 1HB MET 106 5.201 -5.472 -0.026 771 HG2 MET 106 2HG MET 106 3.170 -4.330 0.101 772 HG3 MET 106 1HG MET 106 3.957 -2.763 0.257 773 HE1 MET 106 3HE MET 106 4.531 -5.741 -2.373 774 HE2 MET 106 1HE MET 106 3.452 -5.164 -3.643 775 HE3 MET 106 2HE MET 106 2.798 -5.610 -2.067 776 H ILE 107 H ILE 107 3.584 -3.569 2.977 777 HA ILE 107 HA ILE 107 3.757 -0.738 2.457 778 HB ILE 107 HB ILE 107 1.889 -2.246 4.296 779 HG12 ILE 107 2HG1 ILE 107 1.424 -1.322 1.454 780 HG13 ILE 107 1HG1 ILE 107 1.777 -2.985 1.919 781 HG21 ILE 107 1HG2 ILE 107 0.460 -0.279 4.109 782 HG22 ILE 107 2HG2 ILE 107 1.675 0.513 3.107 783 HG23 ILE 107 3HG2 ILE 107 2.032 0.137 4.792 784 HD11 ILE 107 3HD1 ILE 107 -0.612 -1.392 2.808 785 HD12 ILE 107 1HD1 ILE 107 -0.266 -3.071 3.219 786 HD13 ILE 107 2HD1 ILE 107 -0.601 -2.624 1.546 787 H LYS 108 H LYS 108 4.282 -2.953 5.085 788 HA LYS 108 HA LYS 108 4.833 -0.849 6.983 789 HB2 LYS 108 2HB LYS 108 3.646 -2.704 7.827 790 HB3 LYS 108 1HB LYS 108 4.768 -3.858 7.118 791 HG2 LYS 108 2HG LYS 108 5.854 -1.991 9.146 792 HG3 LYS 108 1HG LYS 108 4.740 -3.235 9.712 793 HD2 LYS 108 2HD LYS 108 7.237 -3.742 8.091 794 HD3 LYS 108 1HD LYS 108 7.103 -3.944 9.837 795 HE2 LYS 108 2HE LYS 108 5.316 -5.620 9.458 796 HE3 LYS 108 1HE LYS 108 5.575 -5.464 7.725 797 HZ1 LYS 108 3HZ LYS 108 7.869 -6.203 8.059 798 HZ2 LYS 108 1HZ LYS 108 6.754 -7.365 8.579 799 HZ3 LYS 108 2HZ LYS 108 7.568 -6.407 9.709 800 H ALA 109 H ALA 109 6.535 -2.523 4.631 801 HA ALA 109 HA ALA 109 9.111 -2.676 5.802 802 HB1 ALA 109 1HB ALA 109 8.469 -3.965 3.816 803 HB2 ALA 109 2HB ALA 109 9.916 -2.999 3.530 804 HB3 ALA 109 3HB ALA 109 8.361 -2.470 2.888 Start of MODEL 19 1 H1 MET 1 1HT MET 1 -19.303 6.797 2.892 2 H2 MET 1 2HT MET 1 -20.568 7.798 3.389 3 H3 MET 1 3HT MET 1 -19.679 8.184 2.001 4 HA MET 1 HA MET 1 -21.403 5.804 2.336 5 HB2 MET 1 2HB MET 1 -21.798 8.274 0.633 6 HB3 MET 1 1HB MET 1 -22.860 6.873 0.673 7 HG2 MET 1 2HG MET 1 -22.344 8.828 2.900 8 HG3 MET 1 1HG MET 1 -23.828 8.637 1.971 9 HE1 MET 1 2HE MET 1 -25.119 5.149 3.193 10 HE2 MET 1 3HE MET 1 -24.103 5.462 1.786 11 HE3 MET 1 1HE MET 1 -25.442 6.545 2.165 12 H ALA 2 H ALA 2 -21.284 4.308 0.739 13 HA ALA 2 HA ALA 2 -20.399 3.060 -0.932 14 HB1 ALA 2 1HB ALA 2 -19.547 4.124 -2.949 15 HB2 ALA 2 2HB ALA 2 -19.488 5.681 -2.122 16 HB3 ALA 2 3HB ALA 2 -21.040 4.900 -2.421 17 H PHE 3 H PHE 3 -17.992 5.665 -0.827 18 HA PHE 3 HA PHE 3 -16.045 3.712 0.195 19 HB2 PHE 3 2HB PHE 3 -15.624 6.116 -1.590 20 HB3 PHE 3 1HB PHE 3 -14.306 5.248 -0.808 21 HD1 PHE 3 2HD PHE 3 -13.700 3.009 -1.509 22 HD2 PHE 3 1HD PHE 3 -16.828 5.150 -3.447 23 HE1 PHE 3 2HE PHE 3 -13.627 1.415 -3.380 24 HE2 PHE 3 1HE PHE 3 -16.759 3.558 -5.321 25 HZ PHE 3 HZ PHE 3 -15.157 1.687 -5.289 26 H ALA 4 H ALA 4 -15.744 4.012 2.274 27 HA ALA 4 HA ALA 4 -16.418 6.463 3.594 28 HB1 ALA 4 1HB ALA 4 -16.825 4.275 4.627 29 HB2 ALA 4 2HB ALA 4 -15.785 5.284 5.633 30 HB3 ALA 4 3HB ALA 4 -15.086 3.980 4.674 31 H GLY 5 H GLY 5 -14.671 6.969 5.484 32 HA2 GLY 5 2HA GLY 5 -12.473 8.193 4.101 33 HA3 GLY 5 1HA GLY 5 -12.802 8.277 5.826 34 H ILE 6 H ILE 6 -12.722 5.132 4.522 35 HA ILE 6 HA ILE 6 -10.477 4.235 5.941 36 HB ILE 6 HB ILE 6 -11.693 3.100 3.408 37 HG12 ILE 6 2HG1 ILE 6 -13.236 3.341 5.379 38 HG13 ILE 6 1HG1 ILE 6 -13.021 1.690 4.815 39 HG21 ILE 6 1HG2 ILE 6 -9.879 1.793 5.441 40 HG22 ILE 6 2HG2 ILE 6 -9.455 2.222 3.780 41 HG23 ILE 6 3HG2 ILE 6 -10.666 0.977 4.086 42 HD11 ILE 6 3HD1 ILE 6 -11.424 1.298 6.630 43 HD12 ILE 6 1HD1 ILE 6 -13.015 1.769 7.224 44 HD13 ILE 6 2HD1 ILE 6 -11.699 2.943 7.206 45 H LEU 7 H LEU 7 -10.902 5.530 2.718 46 HA LEU 7 HA LEU 7 -8.061 6.103 2.641 47 HB2 LEU 7 2HB LEU 7 -7.712 5.311 0.413 48 HB3 LEU 7 1HB LEU 7 -8.324 3.994 1.379 49 HG LEU 7 HG LEU 7 -9.328 3.733 -0.710 50 HD11 LEU 7 1HD1 LEU 7 -10.953 3.471 1.054 51 HD12 LEU 7 2HD1 LEU 7 -11.709 4.099 -0.410 52 HD13 LEU 7 3HD1 LEU 7 -11.377 5.179 0.945 53 HD21 LEU 7 3HD2 LEU 7 -8.757 5.871 -1.682 54 HD22 LEU 7 1HD2 LEU 7 -10.013 6.663 -0.731 55 HD23 LEU 7 2HD2 LEU 7 -10.453 5.489 -1.972 56 H ASN 8 H ASN 8 -7.563 7.996 1.619 57 HA ASN 8 HA ASN 8 -9.861 9.616 0.799 58 HB2 ASN 8 2HB ASN 8 -7.126 10.299 1.822 59 HB3 ASN 8 1HB ASN 8 -8.050 11.484 0.903 60 HD21 ASN 8 1HD2 ASN 8 -8.062 9.466 3.752 61 HD22 ASN 8 2HD2 ASN 8 -9.154 10.436 4.675 62 H ASP 9 H ASP 9 -10.249 9.502 -1.289 63 HA ASP 9 HA ASP 9 -8.625 8.471 -3.264 64 HB2 ASP 9 2HB ASP 9 -10.873 10.474 -3.466 65 HB3 ASP 9 1HB ASP 9 -10.104 9.751 -4.873 66 H ALA 10 H ALA 10 -8.869 11.768 -2.113 67 HA ALA 10 HA ALA 10 -7.284 12.992 -4.101 68 HB1 ALA 10 1HB ALA 10 -7.079 14.837 -2.499 69 HB2 ALA 10 2HB ALA 10 -7.748 13.804 -1.234 70 HB3 ALA 10 3HB ALA 10 -8.741 14.259 -2.618 71 H ASP 11 H ASP 11 -6.461 11.661 -0.901 72 HA ASP 11 HA ASP 11 -3.728 12.345 -0.981 73 HB2 ASP 11 2HB ASP 11 -5.345 10.413 0.626 74 HB3 ASP 11 1HB ASP 11 -3.591 10.291 0.671 75 H ILE 12 H ILE 12 -5.451 9.425 -1.870 76 HA ILE 12 HA ILE 12 -3.264 7.899 -2.711 77 HB ILE 12 HB ILE 12 -6.173 7.930 -3.367 78 HG12 ILE 12 2HG1 ILE 12 -6.011 5.586 -2.503 79 HG13 ILE 12 1HG1 ILE 12 -4.301 5.858 -2.205 80 HG21 ILE 12 1HG2 ILE 12 -5.171 7.434 -5.518 81 HG22 ILE 12 2HG2 ILE 12 -5.902 5.975 -4.849 82 HG23 ILE 12 3HG2 ILE 12 -4.153 6.194 -4.787 83 HD11 ILE 12 3HD1 ILE 12 -5.596 6.065 -0.171 84 HD12 ILE 12 1HD1 ILE 12 -6.576 7.334 -0.907 85 HD13 ILE 12 2HD1 ILE 12 -4.861 7.609 -0.603 86 H THR 13 H THR 13 -5.452 9.921 -4.668 87 HA THR 13 HA THR 13 -4.152 9.766 -7.095 88 HB THR 13 HB THR 13 -5.634 12.134 -5.944 89 HG1 THR 13 1HG THR 13 -6.964 10.323 -5.984 90 HG21 THR 13 3HG2 THR 13 -6.055 12.758 -8.268 91 HG22 THR 13 1HG2 THR 13 -5.057 11.409 -8.815 92 HG23 THR 13 2HG2 THR 13 -4.325 12.741 -7.919 93 H ALA 14 H ALA 14 -3.427 11.850 -4.331 94 HA ALA 14 HA ALA 14 -1.565 13.544 -5.571 95 HB1 ALA 14 1HB ALA 14 -2.496 13.992 -3.355 96 HB2 ALA 14 2HB ALA 14 -0.733 14.002 -3.319 97 HB3 ALA 14 3HB ALA 14 -1.619 12.608 -2.702 98 H ALA 15 H ALA 15 -1.134 10.447 -3.897 99 HA ALA 15 HA ALA 15 1.660 10.262 -4.251 100 HB1 ALA 15 1HB ALA 15 -0.338 8.015 -4.005 101 HB2 ALA 15 2HB ALA 15 0.385 8.887 -2.652 102 HB3 ALA 15 3HB ALA 15 1.398 7.911 -3.717 103 H LEU 16 H LEU 16 -1.076 9.169 -6.208 104 HA LEU 16 HA LEU 16 0.419 7.870 -8.222 105 HB2 LEU 16 2HB LEU 16 -2.337 9.013 -8.068 106 HB3 LEU 16 1HB LEU 16 -1.704 8.535 -9.627 107 HG LEU 16 HG LEU 16 -3.075 6.772 -8.724 108 HD11 LEU 16 1HD1 LEU 16 -1.091 6.137 -10.027 109 HD12 LEU 16 2HD1 LEU 16 -1.540 4.913 -8.841 110 HD13 LEU 16 3HD1 LEU 16 -0.175 5.983 -8.528 111 HD21 LEU 16 3HD2 LEU 16 -2.564 5.616 -6.665 112 HD22 LEU 16 1HD2 LEU 16 -2.873 7.328 -6.362 113 HD23 LEU 16 2HD2 LEU 16 -1.217 6.718 -6.364 114 H ALA 17 H ALA 17 -0.224 11.210 -7.589 115 HA ALA 17 HA ALA 17 0.404 12.169 -10.207 116 HB1 ALA 17 1HB ALA 17 -0.973 13.465 -8.648 117 HB2 ALA 17 2HB ALA 17 0.441 14.375 -9.180 118 HB3 ALA 17 3HB ALA 17 0.416 13.643 -7.576 119 H ALA 18 H ALA 18 2.212 11.646 -7.232 120 HA ALA 18 HA ALA 18 4.642 12.776 -8.294 121 HB1 ALA 18 1HB ALA 18 5.668 11.947 -6.220 122 HB2 ALA 18 2HB ALA 18 4.163 11.120 -5.819 123 HB3 ALA 18 3HB ALA 18 4.205 12.880 -5.907 124 H CYS 19 H CYS 19 3.128 9.671 -8.131 125 HA CYS 19 HA CYS 19 5.504 8.421 -9.339 126 HB2 CYS 19 2HB CYS 19 3.314 7.110 -7.713 127 HB3 CYS 19 1HB CYS 19 4.724 6.302 -8.390 128 HG CYS 19 HG CYS 19 6.007 8.664 -6.672 129 H LYS 20 H LYS 20 4.289 9.589 -11.228 130 HA LYS 20 HA LYS 20 2.277 7.775 -12.351 131 HB2 LYS 20 2HB LYS 20 1.681 10.194 -12.045 132 HB3 LYS 20 1HB LYS 20 2.941 10.596 -13.202 133 HG2 LYS 20 2HG LYS 20 1.787 9.283 -14.904 134 HG3 LYS 20 1HG LYS 20 0.510 8.920 -13.745 135 HD2 LYS 20 2HD LYS 20 0.018 11.314 -13.548 136 HD3 LYS 20 1HD LYS 20 1.285 11.666 -14.722 137 HE2 LYS 20 2HE LYS 20 -1.200 10.032 -15.227 138 HE3 LYS 20 1HE LYS 20 -0.921 11.685 -15.770 139 HZ1 LYS 20 3HZ LYS 20 0.937 10.887 -17.101 140 HZ2 LYS 20 1HZ LYS 20 -0.499 10.109 -17.536 141 HZ3 LYS 20 2HZ LYS 20 0.646 9.300 -16.595 142 H ALA 21 H ALA 21 5.478 8.129 -12.395 143 HA ALA 21 HA ALA 21 5.712 7.350 -15.217 144 HB1 ALA 21 1HB ALA 21 7.715 8.690 -15.481 145 HB2 ALA 21 2HB ALA 21 7.592 9.246 -13.812 146 HB3 ALA 21 3HB ALA 21 6.366 9.716 -14.990 147 H GLU 22 H GLU 22 7.132 5.723 -15.635 148 HA GLU 22 HA GLU 22 7.929 4.034 -13.520 149 HB2 GLU 22 2HB GLU 22 7.454 3.264 -15.838 150 HB3 GLU 22 1HB GLU 22 8.933 4.050 -16.373 151 HG2 GLU 22 2HG GLU 22 10.214 2.586 -14.853 152 HG3 GLU 22 1HG GLU 22 8.716 1.755 -14.438 153 H GLY 23 H GLY 23 9.537 4.344 -12.161 154 HA2 GLY 23 2HA GLY 23 11.917 4.579 -11.779 155 HA3 GLY 23 1HA GLY 23 11.954 5.749 -13.093 156 H SER 24 H SER 24 9.364 6.877 -12.075 157 HA SER 24 HA SER 24 10.586 8.662 -10.109 158 HB2 SER 24 2HB SER 24 9.546 9.661 -12.121 159 HB3 SER 24 1HB SER 24 7.997 8.952 -11.663 160 HG SER 24 HG SER 24 8.418 10.181 -9.587 161 H PHE 25 H PHE 25 8.743 5.928 -10.105 162 HA PHE 25 HA PHE 25 6.894 6.653 -8.023 163 HB2 PHE 25 2HB PHE 25 6.310 4.259 -7.975 164 HB3 PHE 25 1HB PHE 25 6.244 4.914 -9.611 165 HD1 PHE 25 1HD PHE 25 7.962 4.298 -11.250 166 HD2 PHE 25 2HD PHE 25 7.865 2.569 -7.365 167 HE1 PHE 25 1HE PHE 25 9.460 2.503 -12.014 168 HE2 PHE 25 2HE PHE 25 9.365 0.775 -8.121 169 HZ PHE 25 HZ PHE 25 10.164 0.743 -10.451 170 H ASP 26 H ASP 26 6.989 6.147 -5.892 171 HA ASP 26 HA ASP 26 9.175 4.436 -4.978 172 HB2 ASP 26 2HB ASP 26 9.810 6.822 -4.541 173 HB3 ASP 26 1HB ASP 26 8.378 6.969 -3.526 174 H HIS 27 H HIS 27 8.032 2.737 -4.451 175 HA HIS 27 HA HIS 27 5.376 2.619 -3.755 176 HB2 HIS 27 2HB HIS 27 5.689 0.332 -3.478 177 HB3 HIS 27 1HB HIS 27 7.104 0.770 -4.411 178 HD1 HIS 27 1HD HIS 27 9.398 0.573 -3.307 179 HD2 HIS 27 2HD HIS 27 6.240 -0.447 -0.806 180 HE1 HIS 27 1HE HIS 27 10.441 -0.587 -1.340 181 HE2 HIS 27 2HE HIS 27 8.539 -0.943 0.267 182 H LYS 28 H LYS 28 8.124 3.046 -1.692 183 HA LYS 28 HA LYS 28 6.803 2.612 0.771 184 HB2 LYS 28 2HB LYS 28 9.288 2.620 0.185 185 HB3 LYS 28 1HB LYS 28 9.180 4.369 0.279 186 HG2 LYS 28 2HG LYS 28 8.431 2.551 2.559 187 HG3 LYS 28 1HG LYS 28 10.053 3.202 2.338 188 HD2 LYS 28 2HD LYS 28 7.598 4.929 2.548 189 HD3 LYS 28 1HD LYS 28 8.561 4.451 3.945 190 HE2 LYS 28 2HE LYS 28 9.587 5.970 1.548 191 HE3 LYS 28 1HE LYS 28 9.164 6.684 3.102 192 HZ1 LYS 28 3HZ LYS 28 10.896 5.364 4.145 193 HZ2 LYS 28 1HZ LYS 28 11.541 6.317 2.906 194 HZ3 LYS 28 2HZ LYS 28 11.296 4.664 2.658 195 H ALA 29 H ALA 29 7.743 5.573 -0.976 196 HA ALA 29 HA ALA 29 6.586 7.454 0.700 197 HB1 ALA 29 1HB ALA 29 8.077 7.991 -1.186 198 HB2 ALA 29 2HB ALA 29 6.611 8.970 -1.177 199 HB3 ALA 29 3HB ALA 29 6.763 7.623 -2.303 200 H PHE 30 H PHE 30 5.117 5.469 -1.794 201 HA PHE 30 HA PHE 30 2.636 6.709 -2.006 202 HB2 PHE 30 2HB PHE 30 3.328 4.909 -3.501 203 HB3 PHE 30 1HB PHE 30 3.318 3.762 -2.168 204 HD1 PHE 30 2HD PHE 30 1.193 5.842 -4.345 205 HD2 PHE 30 1HD PHE 30 1.310 2.719 -1.460 206 HE1 PHE 30 2HE PHE 30 -1.155 5.301 -4.840 207 HE2 PHE 30 1HE PHE 30 -1.036 2.171 -1.950 208 HZ PHE 30 HZ PHE 30 -2.274 3.464 -3.641 209 H PHE 31 H PHE 31 3.504 3.961 0.136 210 HA PHE 31 HA PHE 31 0.936 3.931 1.356 211 HB2 PHE 31 2HB PHE 31 3.504 2.675 2.338 212 HB3 PHE 31 1HB PHE 31 1.892 2.327 2.950 213 HD1 PHE 31 2HD PHE 31 0.151 1.581 1.162 214 HD2 PHE 31 1HD PHE 31 4.367 1.346 0.665 215 HE1 PHE 31 2HE PHE 31 -0.155 -0.122 -0.582 216 HE2 PHE 31 1HE PHE 31 4.069 -0.353 -1.086 217 HZ PHE 31 HZ PHE 31 1.806 -1.090 -1.712 218 H THR 32 H THR 32 3.973 5.468 2.276 219 HA THR 32 HA THR 32 3.027 6.165 4.887 220 HB THR 32 HB THR 32 5.421 5.925 4.500 221 HG1 THR 32 1HG THR 32 5.359 8.645 5.003 222 HG21 THR 32 3HG2 THR 32 5.145 8.345 2.720 223 HG22 THR 32 1HG2 THR 32 5.569 6.711 2.210 224 HG23 THR 32 2HG2 THR 32 6.671 7.627 3.236 225 H LYS 33 H LYS 33 2.706 7.538 1.749 226 HA LYS 33 HA LYS 33 2.126 10.207 2.695 227 HB2 LYS 33 2HB LYS 33 3.233 9.712 0.516 228 HB3 LYS 33 1HB LYS 33 1.718 9.031 -0.053 229 HG2 LYS 33 2HG LYS 33 0.631 11.162 0.100 230 HG3 LYS 33 1HG LYS 33 2.053 11.878 0.863 231 HD2 LYS 33 2HD LYS 33 1.970 10.717 -1.922 232 HD3 LYS 33 1HD LYS 33 1.885 12.438 -1.536 233 HE2 LYS 33 2HE LYS 33 4.098 12.293 -0.478 234 HE3 LYS 33 1HE LYS 33 4.183 10.585 -0.899 235 HZ1 LYS 33 3HZ LYS 33 5.403 11.936 -2.470 236 HZ2 LYS 33 1HZ LYS 33 4.016 12.835 -2.825 237 HZ3 LYS 33 2HZ LYS 33 4.089 11.197 -3.231 238 H VAL 34 H VAL 34 0.284 7.525 1.233 239 HA VAL 34 HA VAL 34 -2.215 8.827 1.493 240 HB VAL 34 HB VAL 34 -3.166 6.701 0.883 241 HG11 VAL 34 1HG1 VAL 34 -2.046 6.331 -1.247 242 HG12 VAL 34 2HG1 VAL 34 -0.649 7.232 -0.660 243 HG13 VAL 34 3HG1 VAL 34 -2.194 8.051 -0.887 244 HG21 VAL 34 3HG2 VAL 34 -0.417 5.541 1.225 245 HG22 VAL 34 1HG2 VAL 34 -1.826 4.686 0.597 246 HG23 VAL 34 2HG2 VAL 34 -1.802 5.238 2.272 247 H GLY 35 H GLY 35 -0.161 7.384 3.724 248 HA2 GLY 35 2HA GLY 35 -0.420 7.267 6.017 249 HA3 GLY 35 1HA GLY 35 -2.104 7.724 5.817 250 H LEU 36 H LEU 36 -0.803 5.036 4.029 251 HA LEU 36 HA LEU 36 -2.736 3.316 5.308 252 HB2 LEU 36 2HB LEU 36 -2.092 3.326 2.815 253 HB3 LEU 36 1HB LEU 36 -0.681 2.411 3.315 254 HG LEU 36 HG LEU 36 -2.340 0.786 4.404 255 HD11 LEU 36 1HD1 LEU 36 -4.263 2.331 4.259 256 HD12 LEU 36 2HD1 LEU 36 -4.571 0.756 3.534 257 HD13 LEU 36 3HD1 LEU 36 -4.237 2.148 2.506 258 HD21 LEU 36 3HD2 LEU 36 -2.282 1.048 1.403 259 HD22 LEU 36 1HD2 LEU 36 -2.690 -0.407 2.313 260 HD23 LEU 36 2HD2 LEU 36 -1.061 0.258 2.402 261 H ALA 37 H ALA 37 0.551 4.083 5.700 262 HA ALA 37 HA ALA 37 1.533 1.616 6.690 263 HB1 ALA 37 1HB ALA 37 2.535 4.404 7.248 264 HB2 ALA 37 2HB ALA 37 2.993 3.408 5.867 265 HB3 ALA 37 3HB ALA 37 3.426 2.904 7.500 266 H ALA 38 H ALA 38 -0.585 3.889 8.042 267 HA ALA 38 HA ALA 38 -0.036 2.894 10.758 268 HB1 ALA 38 1HB ALA 38 -1.279 5.525 9.966 269 HB2 ALA 38 2HB ALA 38 0.381 5.297 10.514 270 HB3 ALA 38 3HB ALA 38 -0.962 4.977 11.612 271 H LYS 39 H LYS 39 -1.628 1.440 8.948 272 HA LYS 39 HA LYS 39 -4.385 2.019 9.747 273 HB2 LYS 39 2HB LYS 39 -3.262 0.199 7.626 274 HB3 LYS 39 1HB LYS 39 -4.972 0.291 8.025 275 HG2 LYS 39 2HG LYS 39 -3.236 2.464 6.896 276 HG3 LYS 39 1HG LYS 39 -4.579 1.638 6.105 277 HD2 LYS 39 2HD LYS 39 -6.018 2.553 8.015 278 HD3 LYS 39 1HD LYS 39 -4.659 3.623 8.358 279 HE2 LYS 39 2HE LYS 39 -6.228 4.778 6.949 280 HE3 LYS 39 1HE LYS 39 -4.769 4.434 6.020 281 HZ1 LYS 39 3HZ LYS 39 -7.183 2.712 5.953 282 HZ2 LYS 39 1HZ LYS 39 -5.851 2.657 4.916 283 HZ3 LYS 39 2HZ LYS 39 -6.918 3.971 4.852 284 H SER 40 H SER 40 -5.792 0.173 10.194 285 HA SER 40 HA SER 40 -4.500 -1.701 12.036 286 HB2 SER 40 2HB SER 40 -7.442 -1.047 11.715 287 HB3 SER 40 1HB SER 40 -6.693 -1.933 13.042 288 HG SER 40 HG SER 40 -5.384 0.214 13.116 289 HA PRO 41 HA PRO 41 -4.941 -5.442 9.754 290 HB2 PRO 41 2HB PRO 41 -7.042 -6.241 11.734 291 HB3 PRO 41 1HB PRO 41 -5.677 -7.175 11.107 292 HG2 PRO 41 2HG PRO 41 -5.541 -6.052 13.509 293 HG3 PRO 41 1HG PRO 41 -4.133 -6.058 12.431 294 HD2 PRO 41 2HD PRO 41 -5.936 -3.821 13.177 295 HD3 PRO 41 1HD PRO 41 -4.223 -3.788 12.718 296 H ALA 42 H ALA 42 -8.178 -4.394 10.894 297 HA ALA 42 HA ALA 42 -9.619 -5.675 8.841 298 HB1 ALA 42 1HB ALA 42 -10.430 -3.256 10.450 299 HB2 ALA 42 2HB ALA 42 -10.635 -4.937 10.942 300 HB3 ALA 42 3HB ALA 42 -11.508 -4.315 9.541 301 H ASP 43 H ASP 43 -8.157 -2.500 9.021 302 HA ASP 43 HA ASP 43 -9.444 -1.413 6.719 303 HB2 ASP 43 2HB ASP 43 -8.430 -0.055 8.554 304 HB3 ASP 43 1HB ASP 43 -6.839 -0.574 8.019 305 H ILE 44 H ILE 44 -6.275 -2.854 7.361 306 HA ILE 44 HA ILE 44 -5.472 -2.741 4.637 307 HB ILE 44 HB ILE 44 -4.337 -3.869 7.129 308 HG12 ILE 44 2HG1 ILE 44 -3.251 -2.238 4.822 309 HG13 ILE 44 1HG1 ILE 44 -3.836 -1.605 6.355 310 HG21 ILE 44 1HG2 ILE 44 -3.391 -4.787 4.411 311 HG22 ILE 44 2HG2 ILE 44 -4.117 -5.801 5.658 312 HG23 ILE 44 3HG2 ILE 44 -2.545 -5.052 5.936 313 HD11 ILE 44 3HD1 ILE 44 -1.990 -2.612 7.517 314 HD12 ILE 44 1HD1 ILE 44 -1.389 -1.650 6.163 315 HD13 ILE 44 2HD1 ILE 44 -1.453 -3.410 6.037 316 H LYS 45 H LYS 45 -7.419 -4.924 6.458 317 HA LYS 45 HA LYS 45 -7.277 -7.189 4.793 318 HB2 LYS 45 2HB LYS 45 -8.419 -7.042 7.043 319 HB3 LYS 45 1HB LYS 45 -9.746 -6.217 6.234 320 HG2 LYS 45 2HG LYS 45 -10.311 -8.528 6.476 321 HG3 LYS 45 1HG LYS 45 -10.019 -8.195 4.767 322 HD2 LYS 45 2HD LYS 45 -7.710 -9.072 5.044 323 HD3 LYS 45 1HD LYS 45 -8.115 -9.510 6.705 324 HE2 LYS 45 2HE LYS 45 -9.917 -10.957 5.848 325 HE3 LYS 45 1HE LYS 45 -9.429 -10.547 4.204 326 HZ1 LYS 45 3HZ LYS 45 -7.278 -11.544 4.616 327 HZ2 LYS 45 1HZ LYS 45 -8.503 -12.665 4.923 328 HZ3 LYS 45 2HZ LYS 45 -7.712 -11.907 6.209 329 H LYS 46 H LYS 46 -9.435 -4.326 4.648 330 HA LYS 46 HA LYS 46 -10.610 -5.208 2.202 331 HB2 LYS 46 2HB LYS 46 -11.564 -2.964 2.005 332 HB3 LYS 46 1HB LYS 46 -11.817 -3.629 3.605 333 HG2 LYS 46 2HG LYS 46 -11.289 -1.402 3.980 334 HG3 LYS 46 1HG LYS 46 -9.783 -2.256 4.309 335 HD2 LYS 46 2HD LYS 46 -9.351 -0.241 3.011 336 HD3 LYS 46 1HD LYS 46 -8.977 -1.678 2.065 337 HE2 LYS 46 2HE LYS 46 -10.194 0.098 0.801 338 HE3 LYS 46 1HE LYS 46 -10.983 -1.475 0.797 339 HZ1 LYS 46 3HZ LYS 46 -12.559 0.319 1.160 340 HZ2 LYS 46 1HZ LYS 46 -11.722 0.815 2.540 341 HZ3 LYS 46 2HZ LYS 46 -12.488 -0.688 2.515 342 H VAL 47 H VAL 47 -7.706 -3.573 3.051 343 HA VAL 47 HA VAL 47 -7.009 -2.628 0.481 344 HB VAL 47 HB VAL 47 -5.258 -3.441 2.800 345 HG11 VAL 47 1HG1 VAL 47 -4.021 -3.582 0.680 346 HG12 VAL 47 2HG1 VAL 47 -3.451 -2.253 1.689 347 HG13 VAL 47 3HG1 VAL 47 -4.494 -1.926 0.304 348 HG21 VAL 47 3HG2 VAL 47 -5.980 -0.697 1.787 349 HG22 VAL 47 1HG2 VAL 47 -5.126 -1.103 3.274 350 HG23 VAL 47 2HG2 VAL 47 -6.837 -1.509 3.099 351 H PHE 48 H PHE 48 -6.742 -5.783 2.047 352 HA PHE 48 HA PHE 48 -5.366 -7.179 0.065 353 HB2 PHE 48 2HB PHE 48 -5.817 -8.750 1.620 354 HB3 PHE 48 1HB PHE 48 -7.184 -7.843 2.243 355 HD1 PHE 48 2HD PHE 48 -6.309 -10.012 -0.693 356 HD2 PHE 48 1HD PHE 48 -9.259 -8.808 2.130 357 HE1 PHE 48 2HE PHE 48 -7.854 -11.698 -1.593 358 HE2 PHE 48 1HE PHE 48 -10.807 -10.495 1.234 359 HZ PHE 48 HZ PHE 48 -10.106 -11.940 -0.631 360 H GLU 49 H GLU 49 -8.805 -6.418 0.334 361 HA GLU 49 HA GLU 49 -9.579 -7.492 -2.163 362 HB2 GLU 49 2HB GLU 49 -10.832 -5.198 -0.645 363 HB3 GLU 49 1HB GLU 49 -11.603 -6.150 -1.905 364 HG2 GLU 49 2HG GLU 49 -11.532 -8.120 -0.510 365 HG3 GLU 49 1HG GLU 49 -10.660 -7.232 0.740 366 H ILE 50 H ILE 50 -7.787 -4.713 -1.366 367 HA ILE 50 HA ILE 50 -8.448 -3.151 -3.659 368 HB ILE 50 HB ILE 50 -6.203 -2.929 -1.683 369 HG12 ILE 50 2HG1 ILE 50 -8.372 -2.473 -0.742 370 HG13 ILE 50 1HG1 ILE 50 -7.523 -0.953 -0.960 371 HG21 ILE 50 1HG2 ILE 50 -5.975 -0.594 -2.643 372 HG22 ILE 50 2HG2 ILE 50 -6.867 -1.197 -4.042 373 HG23 ILE 50 3HG2 ILE 50 -5.319 -1.918 -3.601 374 HD11 ILE 50 3HD1 ILE 50 -9.748 -2.052 -2.632 375 HD12 ILE 50 1HD1 ILE 50 -8.807 -0.622 -3.057 376 HD13 ILE 50 2HD1 ILE 50 -9.780 -0.635 -1.585 377 H ILE 51 H ILE 51 -5.465 -5.061 -2.866 378 HA ILE 51 HA ILE 51 -4.428 -4.702 -5.515 379 HB ILE 51 HB ILE 51 -2.933 -6.751 -4.955 380 HG12 ILE 51 2HG1 ILE 51 -4.565 -7.210 -2.891 381 HG13 ILE 51 1HG1 ILE 51 -2.851 -7.599 -2.801 382 HG21 ILE 51 1HG2 ILE 51 -2.170 -4.447 -5.019 383 HG22 ILE 51 2HG2 ILE 51 -1.372 -5.361 -3.738 384 HG23 ILE 51 3HG2 ILE 51 -2.662 -4.220 -3.340 385 HD11 ILE 51 3HD1 ILE 51 -2.456 -5.482 -1.627 386 HD12 ILE 51 1HD1 ILE 51 -3.595 -6.523 -0.775 387 HD13 ILE 51 2HD1 ILE 51 -4.185 -5.135 -1.689 388 H ASP 52 H ASP 52 -6.436 -7.043 -3.919 389 HA ASP 52 HA ASP 52 -6.552 -8.759 -6.241 390 HB2 ASP 52 2HB ASP 52 -6.972 -9.307 -3.645 391 HB3 ASP 52 1HB ASP 52 -8.630 -8.911 -4.105 392 H GLN 53 H GLN 53 -7.121 -7.043 -7.701 393 HA GLN 53 HA GLN 53 -9.368 -5.390 -7.501 394 HB2 GLN 53 2HB GLN 53 -7.495 -5.142 -9.128 395 HB3 GLN 53 1HB GLN 53 -8.099 -6.538 -10.002 396 HG2 GLN 53 2HG GLN 53 -9.809 -4.121 -9.572 397 HG3 GLN 53 1HG GLN 53 -8.635 -4.199 -10.883 398 HE21 GLN 53 1HE2 GLN 53 -11.551 -4.024 -10.964 399 HE22 GLN 53 2HE2 GLN 53 -12.083 -5.390 -11.880 400 H ASP 54 H ASP 54 -8.963 -8.663 -8.538 401 HA ASP 54 HA ASP 54 -11.810 -8.901 -9.243 402 HB2 ASP 54 2HB ASP 54 -11.229 -10.584 -10.648 403 HB3 ASP 54 1HB ASP 54 -9.625 -9.876 -10.511 404 H LYS 55 H LYS 55 -9.923 -9.209 -6.578 405 HA LYS 55 HA LYS 55 -9.983 -10.357 -4.628 406 HB2 LYS 55 2HB LYS 55 -12.267 -10.206 -3.533 407 HB3 LYS 55 1HB LYS 55 -11.498 -8.719 -4.055 408 HG2 LYS 55 2HG LYS 55 -12.929 -8.779 -6.094 409 HG3 LYS 55 1HG LYS 55 -13.774 -10.161 -5.387 410 HD2 LYS 55 2HD LYS 55 -14.405 -8.831 -3.464 411 HD3 LYS 55 1HD LYS 55 -13.482 -7.462 -4.088 412 HE2 LYS 55 2HE LYS 55 -15.819 -8.723 -5.520 413 HE3 LYS 55 1HE LYS 55 -15.958 -7.323 -4.462 414 HZ1 LYS 55 3HZ LYS 55 -14.491 -6.099 -5.922 415 HZ2 LYS 55 1HZ LYS 55 -15.805 -6.698 -6.799 416 HZ3 LYS 55 2HZ LYS 55 -14.297 -7.449 -6.919 417 H SER 56 H SER 56 -9.396 -12.342 -5.815 418 HA SER 56 HA SER 56 -11.371 -14.450 -5.229 419 HB2 SER 56 2HB SER 56 -9.278 -14.404 -7.413 420 HB3 SER 56 1HB SER 56 -10.300 -15.788 -7.026 421 HG SER 56 HG SER 56 -10.865 -13.568 -8.496 422 H ASP 57 H ASP 57 -9.186 -13.182 -3.626 423 HA ASP 57 HA ASP 57 -7.960 -13.895 -1.849 424 HB2 ASP 57 2HB ASP 57 -8.370 -16.668 -2.963 425 HB3 ASP 57 1HB ASP 57 -7.494 -16.321 -1.480 426 H PHE 58 H PHE 58 -7.139 -14.040 -4.999 427 HA PHE 58 HA PHE 58 -4.300 -14.036 -4.296 428 HB2 PHE 58 2HB PHE 58 -5.354 -15.350 -6.815 429 HB3 PHE 58 1HB PHE 58 -3.668 -15.241 -6.307 430 HD1 PHE 58 1HD PHE 58 -2.858 -16.601 -4.425 431 HD2 PHE 58 2HD PHE 58 -6.809 -17.020 -5.949 432 HE1 PHE 58 1HE PHE 58 -3.062 -18.775 -3.291 433 HE2 PHE 58 2HE PHE 58 -7.021 -19.193 -4.815 434 HZ PHE 58 HZ PHE 58 -5.146 -20.073 -3.484 435 H VAL 59 H VAL 59 -3.190 -12.402 -5.286 436 HA VAL 59 HA VAL 59 -4.784 -10.749 -7.110 437 HB VAL 59 HB VAL 59 -4.415 -8.927 -5.894 438 HG11 VAL 59 1HG1 VAL 59 -5.118 -10.460 -4.166 439 HG12 VAL 59 2HG1 VAL 59 -4.040 -9.226 -3.516 440 HG13 VAL 59 3HG1 VAL 59 -3.434 -10.854 -3.822 441 HG21 VAL 59 3HG2 VAL 59 -2.226 -8.468 -6.498 442 HG22 VAL 59 1HG2 VAL 59 -1.605 -9.819 -5.551 443 HG23 VAL 59 2HG2 VAL 59 -2.252 -8.406 -4.735 444 H GLU 60 H GLU 60 -4.022 -10.808 -9.095 445 HA GLU 60 HA GLU 60 -1.260 -11.630 -9.540 446 HB2 GLU 60 2HB GLU 60 -3.664 -11.453 -11.333 447 HB3 GLU 60 1HB GLU 60 -2.050 -11.690 -11.981 448 HG2 GLU 60 2HG GLU 60 -3.040 -13.819 -11.820 449 HG3 GLU 60 1HG GLU 60 -1.858 -13.711 -10.521 450 H GLU 61 H GLU 61 -0.440 -10.628 -11.815 451 HA GLU 61 HA GLU 61 0.228 -7.935 -11.192 452 HB2 GLU 61 2HB GLU 61 1.836 -9.309 -12.347 453 HB3 GLU 61 1HB GLU 61 0.711 -9.584 -13.671 454 HG2 GLU 61 2HG GLU 61 0.835 -7.266 -14.318 455 HG3 GLU 61 1HG GLU 61 1.855 -6.894 -12.931 456 H ASP 62 H ASP 62 -1.782 -9.403 -13.752 457 HA ASP 62 HA ASP 62 -2.593 -7.020 -14.980 458 HB2 ASP 62 2HB ASP 62 -3.991 -9.681 -14.712 459 HB3 ASP 62 1HB ASP 62 -4.686 -8.340 -15.617 460 H GLU 63 H GLU 63 -3.568 -8.526 -12.028 461 HA GLU 63 HA GLU 63 -5.852 -6.897 -11.571 462 HB2 GLU 63 2HB GLU 63 -4.125 -8.567 -9.760 463 HB3 GLU 63 1HB GLU 63 -5.471 -7.602 -9.153 464 HG2 GLU 63 2HG GLU 63 -6.884 -8.811 -10.892 465 HG3 GLU 63 1HG GLU 63 -5.538 -9.947 -11.009 466 H LEU 64 H LEU 64 -2.491 -6.781 -10.363 467 HA LEU 64 HA LEU 64 -2.841 -4.398 -8.924 468 HB2 LEU 64 2HB LEU 64 -0.637 -6.113 -9.573 469 HB3 LEU 64 1HB LEU 64 -0.174 -4.421 -9.685 470 HG LEU 64 HG LEU 64 -1.574 -4.431 -7.357 471 HD11 LEU 64 1HD1 LEU 64 -1.858 -6.827 -7.394 472 HD12 LEU 64 2HD1 LEU 64 -0.833 -6.333 -6.047 473 HD13 LEU 64 3HD1 LEU 64 -0.113 -7.051 -7.488 474 HD21 LEU 64 3HD2 LEU 64 1.360 -4.854 -7.826 475 HD22 LEU 64 1HD2 LEU 64 0.655 -4.427 -6.267 476 HD23 LEU 64 2HD2 LEU 64 0.500 -3.327 -7.636 477 H LYS 65 H LYS 65 -2.439 -4.976 -12.275 478 HA LYS 65 HA LYS 65 -1.533 -2.474 -13.086 479 HB2 LYS 65 2HB LYS 65 -3.313 -4.521 -14.361 480 HB3 LYS 65 1HB LYS 65 -3.042 -2.978 -15.159 481 HG2 LYS 65 2HG LYS 65 -1.030 -5.113 -14.493 482 HG3 LYS 65 1HG LYS 65 -1.499 -4.509 -16.084 483 HD2 LYS 65 2HD LYS 65 -0.629 -2.234 -15.221 484 HD3 LYS 65 1HD LYS 65 0.185 -3.197 -13.984 485 HE2 LYS 65 2HE LYS 65 1.632 -2.720 -15.904 486 HE3 LYS 65 1HE LYS 65 1.364 -4.448 -15.677 487 HZ1 LYS 65 3HZ LYS 65 -0.257 -4.406 -17.450 488 HZ2 LYS 65 1HZ LYS 65 1.210 -3.779 -18.008 489 HZ3 LYS 65 2HZ LYS 65 -0.067 -2.737 -17.638 490 H LEU 66 H LEU 66 -4.848 -3.621 -12.659 491 HA LEU 66 HA LEU 66 -5.743 -0.840 -12.821 492 HB2 LEU 66 2HB LEU 66 -7.375 -3.349 -13.131 493 HB3 LEU 66 1HB LEU 66 -7.892 -1.702 -13.471 494 HG LEU 66 HG LEU 66 -5.746 -3.239 -14.934 495 HD11 LEU 66 1HD1 LEU 66 -8.011 -3.923 -15.501 496 HD12 LEU 66 2HD1 LEU 66 -7.218 -3.091 -16.838 497 HD13 LEU 66 3HD1 LEU 66 -8.426 -2.247 -15.866 498 HD21 LEU 66 3HD2 LEU 66 -6.726 -0.429 -15.408 499 HD22 LEU 66 1HD2 LEU 66 -5.532 -1.298 -16.370 500 HD23 LEU 66 2HD2 LEU 66 -5.168 -0.861 -14.695 501 H PHE 67 H PHE 67 -4.863 -2.833 -10.469 502 HA PHE 67 HA PHE 67 -7.030 -2.821 -8.662 503 HB2 PHE 67 2HB PHE 67 -5.606 -3.785 -7.198 504 HB3 PHE 67 1HB PHE 67 -4.549 -3.907 -8.588 505 HD1 PHE 67 2HD PHE 67 -2.592 -2.435 -8.782 506 HD2 PHE 67 1HD PHE 67 -5.149 -2.290 -5.400 507 HE1 PHE 67 2HE PHE 67 -0.864 -1.208 -7.540 508 HE2 PHE 67 1HE PHE 67 -3.425 -1.062 -4.140 509 HZ PHE 67 HZ PHE 67 -1.277 -0.519 -5.213 510 H LEU 68 H LEU 68 -4.785 -0.404 -9.692 511 HA LEU 68 HA LEU 68 -5.086 1.515 -7.678 512 HB2 LEU 68 2HB LEU 68 -4.744 1.970 -10.646 513 HB3 LEU 68 1HB LEU 68 -4.515 3.182 -9.410 514 HG LEU 68 HG LEU 68 -2.365 2.542 -10.040 515 HD11 LEU 68 1HD1 LEU 68 -2.615 2.659 -7.634 516 HD12 LEU 68 2HD1 LEU 68 -1.408 1.454 -8.085 517 HD13 LEU 68 3HD1 LEU 68 -3.017 0.942 -7.578 518 HD21 LEU 68 3HD2 LEU 68 -3.080 -0.360 -9.723 519 HD22 LEU 68 1HD2 LEU 68 -1.589 0.319 -10.369 520 HD23 LEU 68 2HD2 LEU 68 -3.102 0.492 -11.269 521 H GLN 69 H GLN 69 -6.943 0.936 -10.629 522 HA GLN 69 HA GLN 69 -8.816 3.036 -10.146 523 HB2 GLN 69 2HB GLN 69 -9.094 0.599 -11.919 524 HB3 GLN 69 1HB GLN 69 -10.109 2.034 -11.971 525 HG2 GLN 69 2HG GLN 69 -8.033 3.345 -12.515 526 HG3 GLN 69 1HG GLN 69 -7.210 1.796 -12.714 527 HE21 GLN 69 1HE2 GLN 69 -7.823 0.440 -14.417 528 HE22 GLN 69 2HE2 GLN 69 -8.685 1.034 -15.790 529 H ASN 70 H ASN 70 -8.329 -0.025 -8.862 530 HA ASN 70 HA ASN 70 -11.071 -0.485 -8.035 531 HB2 ASN 70 2HB ASN 70 -9.503 -2.361 -8.465 532 HB3 ASN 70 1HB ASN 70 -8.494 -1.803 -7.139 533 HD21 ASN 70 1HD2 ASN 70 -8.661 -3.620 -5.944 534 HD22 ASN 70 2HD2 ASN 70 -10.126 -4.132 -5.177 535 H PHE 71 H PHE 71 -8.133 0.912 -6.812 536 HA PHE 71 HA PHE 71 -9.085 1.191 -4.111 537 HB2 PHE 71 2HB PHE 71 -6.654 0.833 -4.887 538 HB3 PHE 71 1HB PHE 71 -6.665 2.534 -5.324 539 HD1 PHE 71 1HD PHE 71 -8.483 1.455 -2.318 540 HD2 PHE 71 2HD PHE 71 -4.790 2.925 -3.851 541 HE1 PHE 71 1HE PHE 71 -7.764 2.013 -0.042 542 HE2 PHE 71 2HE PHE 71 -4.071 3.490 -1.570 543 HZ PHE 71 HZ PHE 71 -5.557 3.033 0.338 544 H SER 72 H SER 72 -8.455 3.327 -6.877 545 HA SER 72 HA SER 72 -10.401 5.220 -5.856 546 HB2 SER 72 2HB SER 72 -8.276 5.936 -4.809 547 HB3 SER 72 1HB SER 72 -7.547 6.066 -6.409 548 HG SER 72 HG SER 72 -9.786 7.540 -5.448 549 H ALA 73 H ALA 73 -11.226 6.596 -7.426 550 HA ALA 73 HA ALA 73 -11.013 5.611 -10.118 551 HB1 ALA 73 1HB ALA 73 -12.615 7.921 -9.026 552 HB2 ALA 73 2HB ALA 73 -13.176 6.256 -9.170 553 HB3 ALA 73 3HB ALA 73 -12.801 7.188 -10.618 554 H GLY 74 H GLY 74 -9.298 7.863 -8.333 555 HA2 GLY 74 2HA GLY 74 -8.607 9.430 -10.733 556 HA3 GLY 74 1HA GLY 74 -8.351 9.957 -9.076 557 H ALA 75 H ALA 75 -7.608 6.690 -9.686 558 HA ALA 75 HA ALA 75 -4.783 7.314 -9.323 559 HB1 ALA 75 1HB ALA 75 -4.520 5.011 -8.646 560 HB2 ALA 75 2HB ALA 75 -6.182 4.653 -9.116 561 HB3 ALA 75 3HB ALA 75 -5.861 5.743 -7.766 562 H ARG 76 H ARG 76 -3.164 6.164 -10.547 563 HA ARG 76 HA ARG 76 -3.994 5.809 -13.327 564 HB2 ARG 76 2HB ARG 76 -1.248 6.447 -12.243 565 HB3 ARG 76 1HB ARG 76 -1.719 6.410 -13.937 566 HG2 ARG 76 2HG ARG 76 -2.645 8.375 -11.852 567 HG3 ARG 76 1HG ARG 76 -1.567 8.691 -13.213 568 HD2 ARG 76 2HD ARG 76 -4.484 7.935 -13.349 569 HD3 ARG 76 1HD ARG 76 -3.783 9.507 -13.725 570 HE ARG 76 HE ARG 76 -2.497 7.894 -15.445 571 HH11 ARG 76 1HH1 ARG 76 -5.890 8.252 -14.668 572 HH12 ARG 76 2HH1 ARG 76 -6.435 7.791 -16.246 573 HH21 ARG 76 1HH2 ARG 76 -3.212 7.287 -17.534 574 HH22 ARG 76 2HH2 ARG 76 -4.913 7.229 -17.873 575 H ALA 77 H ALA 77 -3.210 4.058 -14.533 576 HA ALA 77 HA ALA 77 -2.607 1.679 -13.065 577 HB1 ALA 77 1HB ALA 77 -2.540 2.192 -16.039 578 HB2 ALA 77 2HB ALA 77 -3.911 1.569 -15.121 579 HB3 ALA 77 3HB ALA 77 -2.437 0.608 -15.268 580 H LEU 78 H LEU 78 -0.697 1.020 -12.412 581 HA LEU 78 HA LEU 78 1.697 2.417 -12.976 582 HB2 LEU 78 2HB LEU 78 0.955 -0.034 -11.459 583 HB3 LEU 78 1HB LEU 78 2.642 0.190 -11.875 584 HG LEU 78 HG LEU 78 2.741 2.262 -10.637 585 HD11 LEU 78 1HD1 LEU 78 0.517 3.138 -11.096 586 HD12 LEU 78 2HD1 LEU 78 0.828 3.105 -9.360 587 HD13 LEU 78 3HD1 LEU 78 -0.199 1.875 -10.093 588 HD21 LEU 78 3HD2 LEU 78 1.348 0.119 -9.042 589 HD22 LEU 78 1HD2 LEU 78 2.327 1.429 -8.382 590 HD23 LEU 78 2HD2 LEU 78 3.074 0.192 -9.394 591 H SER 79 H SER 79 3.637 1.509 -13.949 592 HA SER 79 HA SER 79 2.811 0.319 -16.475 593 HB2 SER 79 2HB SER 79 5.008 1.270 -17.292 594 HB3 SER 79 1HB SER 79 3.817 2.448 -16.746 595 HG SER 79 HG SER 79 4.932 2.546 -14.743 596 H ASP 80 H ASP 80 5.141 -0.490 -17.562 597 HA ASP 80 HA ASP 80 5.109 -3.173 -17.018 598 HB2 ASP 80 2HB ASP 80 5.961 -2.305 -19.095 599 HB3 ASP 80 1HB ASP 80 7.298 -1.525 -18.262 600 H ALA 81 H ALA 81 8.026 -1.260 -16.279 601 HA ALA 81 HA ALA 81 8.854 -3.451 -14.628 602 HB1 ALA 81 1HB ALA 81 10.911 -2.163 -14.257 603 HB2 ALA 81 2HB ALA 81 10.183 -0.775 -15.069 604 HB3 ALA 81 3HB ALA 81 10.507 -2.255 -15.971 605 H GLU 82 H GLU 82 7.233 -0.503 -14.220 606 HA GLU 82 HA GLU 82 7.771 0.064 -11.520 607 HB2 GLU 82 2HB GLU 82 6.884 1.718 -13.023 608 HB3 GLU 82 1HB GLU 82 5.486 0.719 -13.376 609 HG2 GLU 82 2HG GLU 82 4.662 1.025 -11.146 610 HG3 GLU 82 1HG GLU 82 6.096 1.959 -10.710 611 H THR 83 H THR 83 4.855 -1.464 -12.999 612 HA THR 83 HA THR 83 3.779 -2.355 -10.569 613 HB THR 83 HB THR 83 3.571 -3.957 -13.118 614 HG1 THR 83 1HG THR 83 3.076 -1.862 -13.728 615 HG21 THR 83 3HG2 THR 83 2.558 -4.922 -11.103 616 HG22 THR 83 1HG2 THR 83 1.331 -4.459 -12.281 617 HG23 THR 83 2HG2 THR 83 1.624 -3.445 -10.868 618 H LYS 84 H LYS 84 6.174 -3.822 -12.700 619 HA LYS 84 HA LYS 84 6.322 -6.366 -11.602 620 HB2 LYS 84 2HB LYS 84 7.415 -5.919 -13.669 621 HB3 LYS 84 1HB LYS 84 8.409 -4.661 -12.948 622 HG2 LYS 84 2HG LYS 84 9.608 -6.316 -11.648 623 HG3 LYS 84 1HG LYS 84 8.585 -7.596 -12.307 624 HD2 LYS 84 2HD LYS 84 9.414 -7.118 -14.550 625 HD3 LYS 84 1HD LYS 84 10.408 -5.807 -13.912 626 HE2 LYS 84 2HE LYS 84 11.768 -7.775 -14.258 627 HE3 LYS 84 1HE LYS 84 11.634 -7.437 -12.534 628 HZ1 LYS 84 3HZ LYS 84 10.101 -9.489 -14.035 629 HZ2 LYS 84 1HZ LYS 84 9.915 -9.148 -12.390 630 HZ3 LYS 84 2HZ LYS 84 11.372 -9.782 -12.963 631 H VAL 85 H VAL 85 8.510 -3.627 -10.851 632 HA VAL 85 HA VAL 85 9.718 -5.103 -8.712 633 HB VAL 85 HB VAL 85 11.016 -3.485 -10.001 634 HG11 VAL 85 1HG1 VAL 85 10.698 -1.074 -9.644 635 HG12 VAL 85 2HG1 VAL 85 9.219 -1.424 -8.748 636 HG13 VAL 85 3HG1 VAL 85 9.333 -1.836 -10.460 637 HG21 VAL 85 3HG2 VAL 85 12.099 -2.313 -8.135 638 HG22 VAL 85 1HG2 VAL 85 11.776 -4.007 -7.766 639 HG23 VAL 85 2HG2 VAL 85 10.742 -2.744 -7.098 640 H PHE 86 H PHE 86 7.127 -2.776 -8.965 641 HA PHE 86 HA PHE 86 6.850 -2.169 -6.236 642 HB2 PHE 86 2HB PHE 86 5.740 -0.885 -7.992 643 HB3 PHE 86 1HB PHE 86 4.779 -2.278 -8.448 644 HD1 PHE 86 2HD PHE 86 5.270 0.368 -5.974 645 HD2 PHE 86 1HD PHE 86 2.869 -2.955 -7.107 646 HE1 PHE 86 2HE PHE 86 3.534 1.089 -4.388 647 HE2 PHE 86 1HE PHE 86 1.126 -2.239 -5.523 648 HZ PHE 86 HZ PHE 86 1.460 -0.215 -4.160 649 H LEU 87 H LEU 87 5.639 -4.846 -8.222 650 HA LEU 87 HA LEU 87 4.189 -6.192 -6.212 651 HB2 LEU 87 2HB LEU 87 5.723 -7.284 -8.576 652 HB3 LEU 87 1HB LEU 87 4.669 -8.249 -7.564 653 HG LEU 87 HG LEU 87 3.698 -5.864 -9.138 654 HD11 LEU 87 1HD1 LEU 87 2.849 -7.485 -10.768 655 HD12 LEU 87 2HD1 LEU 87 3.666 -8.784 -9.899 656 HD13 LEU 87 3HD1 LEU 87 4.610 -7.515 -10.679 657 HD21 LEU 87 3HD2 LEU 87 2.257 -8.192 -7.868 658 HD22 LEU 87 1HD2 LEU 87 1.513 -6.902 -8.811 659 HD23 LEU 87 2HD2 LEU 87 2.280 -6.534 -7.267 660 H LYS 88 H LYS 88 7.575 -6.234 -7.148 661 HA LYS 88 HA LYS 88 8.387 -8.389 -5.513 662 HB2 LYS 88 2HB LYS 88 9.608 -7.493 -7.496 663 HB3 LYS 88 1HB LYS 88 10.075 -6.100 -6.534 664 HG2 LYS 88 2HG LYS 88 11.901 -7.633 -6.606 665 HG3 LYS 88 1HG LYS 88 11.230 -7.654 -4.973 666 HD2 LYS 88 2HD LYS 88 10.082 -9.709 -5.400 667 HD3 LYS 88 1HD LYS 88 10.498 -9.641 -7.114 668 HE2 LYS 88 2HE LYS 88 12.486 -9.897 -4.857 669 HE3 LYS 88 1HE LYS 88 11.888 -11.241 -5.829 670 HZ1 LYS 88 3HZ LYS 88 12.823 -10.170 -7.795 671 HZ2 LYS 88 1HZ LYS 88 14.019 -10.477 -6.637 672 HZ3 LYS 88 2HZ LYS 88 13.422 -8.909 -6.843 673 H ALA 89 H ALA 89 7.695 -5.099 -4.808 674 HA ALA 89 HA ALA 89 9.219 -4.740 -2.467 675 HB1 ALA 89 1HB ALA 89 6.483 -3.628 -3.096 676 HB2 ALA 89 2HB ALA 89 8.017 -2.907 -3.579 677 HB3 ALA 89 3HB ALA 89 7.595 -3.022 -1.870 678 H GLY 90 H GLY 90 6.474 -6.671 -3.177 679 HA2 GLY 90 2HA GLY 90 6.151 -7.281 -0.298 680 HA3 GLY 90 1HA GLY 90 4.803 -7.274 -1.429 681 H ASP 91 H ASP 91 5.398 -8.678 -3.487 682 HA ASP 91 HA ASP 91 5.684 -11.361 -2.540 683 HB2 ASP 91 2HB ASP 91 4.248 -10.773 -4.467 684 HB3 ASP 91 1HB ASP 91 5.698 -10.379 -5.391 685 H SER 92 H SER 92 7.629 -12.040 -1.900 686 HA SER 92 HA SER 92 10.026 -10.876 -3.060 687 HB2 SER 92 2HB SER 92 9.740 -11.114 -0.574 688 HB3 SER 92 1HB SER 92 9.768 -12.863 -0.786 689 HG SER 92 HG SER 92 11.822 -11.118 -0.664 690 H ASP 93 H ASP 93 8.036 -13.529 -3.443 691 HA ASP 93 HA ASP 93 10.043 -15.485 -4.099 692 HB2 ASP 93 2HB ASP 93 7.162 -15.700 -4.919 693 HB3 ASP 93 1HB ASP 93 8.284 -16.983 -4.482 694 H GLY 94 H GLY 94 8.252 -13.066 -5.797 695 HA2 GLY 94 2HA GLY 94 8.585 -12.268 -7.950 696 HA3 GLY 94 1HA GLY 94 9.744 -13.562 -8.220 697 H ASP 95 H ASP 95 6.425 -13.897 -7.114 698 HA ASP 95 HA ASP 95 5.899 -15.860 -9.178 699 HB2 ASP 95 2HB ASP 95 4.198 -14.759 -6.938 700 HB3 ASP 95 1HB ASP 95 3.642 -15.992 -8.059 701 H GLY 96 H GLY 96 5.417 -12.516 -8.671 702 HA2 GLY 96 2HA GLY 96 4.710 -10.982 -10.314 703 HA3 GLY 96 1HA GLY 96 3.940 -12.303 -11.186 704 H LYS 97 H LYS 97 3.493 -11.907 -7.789 705 HA LYS 97 HA LYS 97 0.749 -10.880 -8.164 706 HB2 LYS 97 2HB LYS 97 -0.057 -12.572 -6.558 707 HB3 LYS 97 1HB LYS 97 0.607 -13.335 -7.998 708 HG2 LYS 97 2HG LYS 97 2.580 -13.949 -6.868 709 HG3 LYS 97 1HG LYS 97 2.197 -12.968 -5.449 710 HD2 LYS 97 2HD LYS 97 0.691 -15.407 -6.426 711 HD3 LYS 97 1HD LYS 97 1.811 -15.364 -5.068 712 HE2 LYS 97 2HE LYS 97 0.306 -13.634 -4.027 713 HE3 LYS 97 1HE LYS 97 -0.856 -13.989 -5.305 714 HZ1 LYS 97 3HZ LYS 97 -1.377 -15.267 -3.358 715 HZ2 LYS 97 1HZ LYS 97 0.189 -15.902 -3.291 716 HZ3 LYS 97 2HZ LYS 97 -0.841 -16.319 -4.567 717 H ILE 98 H ILE 98 -0.201 -10.452 -5.902 718 HA ILE 98 HA ILE 98 1.953 -9.830 -3.994 719 HB ILE 98 HB ILE 98 -0.421 -8.168 -4.740 720 HG12 ILE 98 2HG1 ILE 98 1.760 -7.663 -5.742 721 HG13 ILE 98 1HG1 ILE 98 1.202 -6.352 -4.706 722 HG21 ILE 98 1HG2 ILE 98 -0.166 -6.853 -2.703 723 HG22 ILE 98 2HG2 ILE 98 1.028 -8.008 -2.111 724 HG23 ILE 98 3HG2 ILE 98 -0.644 -8.514 -2.347 725 HD11 ILE 98 3HD1 ILE 98 3.302 -8.406 -4.059 726 HD12 ILE 98 1HD1 ILE 98 2.676 -7.221 -2.915 727 HD13 ILE 98 2HD1 ILE 98 3.541 -6.686 -4.354 728 H GLY 99 H GLY 99 1.799 -11.471 -2.568 729 HA2 GLY 99 2HA GLY 99 -0.666 -12.443 -1.537 730 HA3 GLY 99 1HA GLY 99 0.911 -12.576 -0.754 731 H VAL 100 H VAL 100 -1.886 -11.682 0.142 732 HA VAL 100 HA VAL 100 -1.834 -8.930 0.625 733 HB VAL 100 HB VAL 100 -3.190 -11.137 2.149 734 HG11 VAL 100 1HG1 VAL 100 -2.965 -9.111 3.526 735 HG12 VAL 100 2HG1 VAL 100 -4.642 -9.440 3.093 736 HG13 VAL 100 3HG1 VAL 100 -3.746 -8.175 2.249 737 HG21 VAL 100 3HG2 VAL 100 -3.770 -10.946 -0.226 738 HG22 VAL 100 1HG2 VAL 100 -4.208 -9.257 0.028 739 HG23 VAL 100 2HG2 VAL 100 -5.127 -10.537 0.823 740 H ASP 101 H ASP 101 -0.719 -11.629 2.628 741 HA ASP 101 HA ASP 101 0.273 -10.138 4.786 742 HB2 ASP 101 2HB ASP 101 0.032 -12.626 4.718 743 HB3 ASP 101 1HB ASP 101 1.431 -12.696 3.653 744 H GLU 102 H GLU 102 1.671 -10.963 1.669 745 HA GLU 102 HA GLU 102 4.269 -9.931 2.136 746 HB2 GLU 102 2HB GLU 102 2.780 -10.297 -0.486 747 HB3 GLU 102 1HB GLU 102 4.511 -10.023 -0.321 748 HG2 GLU 102 2HG GLU 102 4.745 -12.138 0.877 749 HG3 GLU 102 1HG GLU 102 3.011 -12.411 0.739 750 H PHE 103 H PHE 103 1.295 -8.560 0.832 751 HA PHE 103 HA PHE 103 2.352 -6.041 0.074 752 HB2 PHE 103 2HB PHE 103 0.096 -7.125 -0.565 753 HB3 PHE 103 1HB PHE 103 -0.488 -6.503 0.971 754 HD1 PHE 103 1HD PHE 103 1.248 -5.362 -2.119 755 HD2 PHE 103 2HD PHE 103 -1.445 -4.410 1.028 756 HE1 PHE 103 1HE PHE 103 0.764 -3.207 -3.198 757 HE2 PHE 103 2HE PHE 103 -1.935 -2.248 -0.044 758 HZ PHE 103 HZ PHE 103 -0.831 -1.646 -2.159 759 H GLY 104 H GLY 104 0.662 -7.167 2.987 760 HA2 GLY 104 2HA GLY 104 0.601 -4.775 4.410 761 HA3 GLY 104 1HA GLY 104 0.656 -6.371 5.138 762 H ALA 105 H ALA 105 3.230 -7.050 3.970 763 HA ALA 105 HA ALA 105 4.948 -5.952 5.936 764 HB1 ALA 105 1HB ALA 105 6.721 -7.187 4.816 765 HB2 ALA 105 2HB ALA 105 5.667 -7.470 3.431 766 HB3 ALA 105 3HB ALA 105 5.279 -8.183 4.995 767 H MET 106 H MET 106 4.448 -5.255 2.496 768 HA MET 106 HA MET 106 6.662 -3.433 2.373 769 HB2 MET 106 2HB MET 106 6.264 -3.275 0.132 770 HB3 MET 106 1HB MET 106 5.394 -4.767 0.438 771 HG2 MET 106 2HG MET 106 3.310 -3.685 0.377 772 HG3 MET 106 1HG MET 106 4.048 -2.092 0.498 773 HE1 MET 106 3HE MET 106 4.792 -5.230 -1.919 774 HE2 MET 106 1HE MET 106 3.792 -4.706 -3.272 775 HE3 MET 106 2HE MET 106 3.051 -5.048 -1.709 776 H ILE 107 H ILE 107 3.388 -3.209 3.372 777 HA ILE 107 HA ILE 107 3.128 -0.363 3.000 778 HB ILE 107 HB ILE 107 1.511 -2.232 4.757 779 HG12 ILE 107 2HG1 ILE 107 0.846 -1.163 2.009 780 HG13 ILE 107 1HG1 ILE 107 1.459 -2.785 2.323 781 HG21 ILE 107 1HG2 ILE 107 1.300 0.071 5.464 782 HG22 ILE 107 2HG2 ILE 107 -0.190 -0.461 4.686 783 HG23 ILE 107 3HG2 ILE 107 0.940 0.572 3.813 784 HD11 ILE 107 3HD1 ILE 107 -0.504 -3.321 3.606 785 HD12 ILE 107 1HD1 ILE 107 -0.979 -2.709 2.024 786 HD13 ILE 107 2HD1 ILE 107 -1.099 -1.670 3.444 787 H LYS 108 H LYS 108 4.018 -2.591 5.508 788 HA LYS 108 HA LYS 108 4.140 -0.587 7.579 789 HB2 LYS 108 2HB LYS 108 3.335 -2.781 8.126 790 HB3 LYS 108 1HB LYS 108 4.774 -3.536 7.469 791 HG2 LYS 108 2HG LYS 108 5.152 -1.640 9.709 792 HG3 LYS 108 1HG LYS 108 4.374 -3.179 10.075 793 HD2 LYS 108 2HD LYS 108 7.022 -2.879 8.661 794 HD3 LYS 108 1HD LYS 108 6.837 -3.220 10.382 795 HE2 LYS 108 2HE LYS 108 5.932 -4.958 8.085 796 HE3 LYS 108 1HE LYS 108 7.281 -5.270 9.171 797 HZ1 LYS 108 3HZ LYS 108 4.398 -5.239 9.874 798 HZ2 LYS 108 1HZ LYS 108 5.647 -5.357 11.011 799 HZ3 LYS 108 2HZ LYS 108 5.430 -6.575 9.861 800 H ALA 109 H ALA 109 6.213 -1.826 5.191 801 HA ALA 109 HA ALA 109 8.696 -1.471 6.555 802 HB1 ALA 109 1HB ALA 109 9.718 -1.800 4.375 803 HB2 ALA 109 2HB ALA 109 8.150 -1.618 3.592 804 HB3 ALA 109 3HB ALA 109 8.453 -2.997 4.647 Start of MODEL 20 1 H1 MET 1 1HT MET 1 -14.631 11.159 7.697 2 H2 MET 1 2HT MET 1 -15.895 12.201 7.278 3 H3 MET 1 3HT MET 1 -14.532 12.803 8.078 4 HA MET 1 HA MET 1 -14.492 13.374 5.738 5 HB2 MET 1 2HB MET 1 -12.438 12.311 7.256 6 HB3 MET 1 1HB MET 1 -12.351 11.369 5.777 7 HG2 MET 1 2HG MET 1 -12.362 14.375 5.857 8 HG3 MET 1 1HG MET 1 -10.900 13.394 5.832 9 HE1 MET 1 2HE MET 1 -10.048 12.034 3.786 10 HE2 MET 1 3HE MET 1 -10.983 11.760 2.315 11 HE3 MET 1 1HE MET 1 -11.513 11.055 3.842 12 H ALA 2 H ALA 2 -13.990 12.475 3.539 13 HA ALA 2 HA ALA 2 -16.019 10.762 2.713 14 HB1 ALA 2 1HB ALA 2 -13.458 11.398 1.255 15 HB2 ALA 2 2HB ALA 2 -14.915 12.391 1.249 16 HB3 ALA 2 3HB ALA 2 -14.944 10.779 0.535 17 H PHE 3 H PHE 3 -16.139 8.651 2.143 18 HA PHE 3 HA PHE 3 -15.799 6.418 2.319 19 HB2 PHE 3 2HB PHE 3 -13.806 7.353 0.749 20 HB3 PHE 3 1HB PHE 3 -12.853 6.627 2.041 21 HD1 PHE 3 2HD PHE 3 -13.402 4.183 2.657 22 HD2 PHE 3 1HD PHE 3 -14.645 6.043 -0.962 23 HE1 PHE 3 2HE PHE 3 -13.731 1.970 1.637 24 HE2 PHE 3 1HE PHE 3 -14.981 3.833 -1.987 25 HZ PHE 3 HZ PHE 3 -14.522 1.792 -0.688 26 H ALA 4 H ALA 4 -16.005 7.672 4.695 27 HA ALA 4 HA ALA 4 -15.771 7.362 6.923 28 HB1 ALA 4 1HB ALA 4 -14.326 4.851 6.092 29 HB2 ALA 4 2HB ALA 4 -16.053 5.011 6.406 30 HB3 ALA 4 3HB ALA 4 -14.897 5.213 7.721 31 H GLY 5 H GLY 5 -13.405 8.391 5.077 32 HA2 GLY 5 2HA GLY 5 -11.427 9.480 5.503 33 HA3 GLY 5 1HA GLY 5 -11.756 9.269 7.219 34 H ILE 6 H ILE 6 -11.836 6.370 5.479 35 HA ILE 6 HA ILE 6 -9.626 5.226 6.794 36 HB ILE 6 HB ILE 6 -11.108 4.379 4.298 37 HG12 ILE 6 2HG1 ILE 6 -12.428 4.389 6.371 38 HG13 ILE 6 1HG1 ILE 6 -12.185 2.754 5.769 39 HG21 ILE 6 1HG2 ILE 6 -9.101 2.775 5.879 40 HG22 ILE 6 2HG2 ILE 6 -8.859 3.428 4.257 41 HG23 ILE 6 3HG2 ILE 6 -10.079 2.184 4.534 42 HD11 ILE 6 3HD1 ILE 6 -11.955 2.810 8.167 43 HD12 ILE 6 1HD1 ILE 6 -10.716 4.061 8.048 44 HD13 ILE 6 2HD1 ILE 6 -10.396 2.442 7.425 45 H LEU 7 H LEU 7 -10.041 6.481 3.526 46 HA LEU 7 HA LEU 7 -7.150 6.900 3.393 47 HB2 LEU 7 2HB LEU 7 -7.138 6.323 1.018 48 HB3 LEU 7 1HB LEU 7 -7.610 4.956 2.007 49 HG LEU 7 HG LEU 7 -9.680 6.671 0.652 50 HD11 LEU 7 1HD1 LEU 7 -8.257 4.282 -0.517 51 HD12 LEU 7 2HD1 LEU 7 -8.133 5.947 -1.086 52 HD13 LEU 7 3HD1 LEU 7 -9.666 5.085 -1.209 53 HD21 LEU 7 3HD2 LEU 7 -10.446 5.118 2.378 54 HD22 LEU 7 1HD2 LEU 7 -9.650 3.787 1.539 55 HD23 LEU 7 2HD2 LEU 7 -11.005 4.622 0.782 56 H ASN 8 H ASN 8 -6.669 8.950 2.995 57 HA ASN 8 HA ASN 8 -8.691 10.836 2.247 58 HB2 ASN 8 2HB ASN 8 -5.738 11.015 2.753 59 HB3 ASN 8 1HB ASN 8 -6.609 12.373 2.045 60 HD21 ASN 8 1HD2 ASN 8 -6.438 10.247 4.813 61 HD22 ASN 8 2HD2 ASN 8 -7.149 11.344 5.943 62 H ASP 9 H ASP 9 -9.453 10.775 0.249 63 HA ASP 9 HA ASP 9 -8.296 9.456 -1.897 64 HB2 ASP 9 2HB ASP 9 -9.990 10.556 -3.284 65 HB3 ASP 9 1HB ASP 9 -10.683 9.946 -1.788 66 H ALA 10 H ALA 10 -8.118 12.828 -0.998 67 HA ALA 10 HA ALA 10 -6.841 13.844 -3.271 68 HB1 ALA 10 1HB ALA 10 -6.083 15.650 -1.773 69 HB2 ALA 10 2HB ALA 10 -6.613 14.697 -0.385 70 HB3 ALA 10 3HB ALA 10 -7.792 15.273 -1.564 71 H ASP 11 H ASP 11 -5.485 12.345 -0.350 72 HA ASP 11 HA ASP 11 -2.773 12.795 -1.088 73 HB2 ASP 11 2HB ASP 11 -4.051 10.975 0.945 74 HB3 ASP 11 1HB ASP 11 -2.308 11.045 0.700 75 H ILE 12 H ILE 12 -4.957 10.067 -1.327 76 HA ILE 12 HA ILE 12 -3.225 8.215 -2.493 77 HB ILE 12 HB ILE 12 -6.178 8.645 -2.571 78 HG12 ILE 12 2HG1 ILE 12 -6.163 6.342 -1.586 79 HG13 ILE 12 1HG1 ILE 12 -4.407 6.386 -1.623 80 HG21 ILE 12 1HG2 ILE 12 -4.737 6.566 -4.213 81 HG22 ILE 12 2HG2 ILE 12 -5.708 7.904 -4.826 82 HG23 ILE 12 3HG2 ILE 12 -6.475 6.602 -3.918 83 HD11 ILE 12 3HD1 ILE 12 -4.454 8.318 -0.108 84 HD12 ILE 12 1HD1 ILE 12 -5.205 6.881 0.587 85 HD13 ILE 12 2HD1 ILE 12 -6.212 8.190 -0.035 86 H THR 13 H THR 13 -5.368 10.589 -4.018 87 HA THR 13 HA THR 13 -4.654 10.129 -6.683 88 HB THR 13 HB THR 13 -5.564 12.702 -5.371 89 HG1 THR 13 1HG THR 13 -7.216 11.362 -5.047 90 HG21 THR 13 3HG2 THR 13 -5.723 11.860 -8.268 91 HG22 THR 13 1HG2 THR 13 -4.637 13.085 -7.612 92 HG23 THR 13 2HG2 THR 13 -6.381 13.343 -7.573 93 H ALA 14 H ALA 14 -3.188 12.191 -4.212 94 HA ALA 14 HA ALA 14 -1.387 13.560 -5.892 95 HB1 ALA 14 1HB ALA 14 -1.116 12.898 -2.963 96 HB2 ALA 14 2HB ALA 14 -1.915 14.318 -3.637 97 HB3 ALA 14 3HB ALA 14 -0.177 14.105 -3.841 98 H ALA 15 H ALA 15 -1.049 10.568 -4.012 99 HA ALA 15 HA ALA 15 1.655 10.093 -4.714 100 HB1 ALA 15 1HB ALA 15 1.317 7.857 -3.862 101 HB2 ALA 15 2HB ALA 15 -0.434 8.068 -3.919 102 HB3 ALA 15 3HB ALA 15 0.533 9.021 -2.793 103 H LEU 16 H LEU 16 -1.424 9.126 -6.125 104 HA LEU 16 HA LEU 16 -0.346 7.435 -8.122 105 HB2 LEU 16 2HB LEU 16 -2.969 8.924 -7.990 106 HB3 LEU 16 1HB LEU 16 -2.580 7.718 -9.197 107 HG LEU 16 HG LEU 16 -2.606 7.152 -6.239 108 HD11 LEU 16 1HD1 LEU 16 -4.765 6.076 -6.635 109 HD12 LEU 16 2HD1 LEU 16 -4.750 6.672 -8.292 110 HD13 LEU 16 3HD1 LEU 16 -4.829 7.810 -6.950 111 HD21 LEU 16 3HD2 LEU 16 -1.240 5.627 -7.561 112 HD22 LEU 16 1HD2 LEU 16 -2.596 5.345 -8.653 113 HD23 LEU 16 2HD2 LEU 16 -2.692 4.821 -6.972 114 H ALA 17 H ALA 17 -0.926 10.877 -7.944 115 HA ALA 17 HA ALA 17 -0.418 11.451 -10.680 116 HB1 ALA 17 1HB ALA 17 -1.554 13.041 -9.223 117 HB2 ALA 17 2HB ALA 17 -0.099 13.762 -9.914 118 HB3 ALA 17 3HB ALA 17 -0.098 13.203 -8.241 119 H ALA 18 H ALA 18 1.582 10.871 -7.894 120 HA ALA 18 HA ALA 18 3.985 11.911 -9.077 121 HB1 ALA 18 1HB ALA 18 3.630 10.143 -6.658 122 HB2 ALA 18 2HB ALA 18 3.682 11.905 -6.649 123 HB3 ALA 18 3HB ALA 18 5.109 10.984 -7.121 124 H CYS 19 H CYS 19 2.560 8.707 -8.540 125 HA CYS 19 HA CYS 19 4.800 7.373 -9.775 126 HB2 CYS 19 2HB CYS 19 3.480 5.315 -9.467 127 HB3 CYS 19 1HB CYS 19 3.604 6.247 -7.981 128 HG CYS 19 HG CYS 19 0.901 5.429 -9.779 129 H LYS 20 H LYS 20 2.432 9.193 -11.056 130 HA LYS 20 HA LYS 20 1.946 7.657 -13.435 131 HB2 LYS 20 2HB LYS 20 0.296 9.294 -12.728 132 HB3 LYS 20 1HB LYS 20 1.496 10.576 -12.769 133 HG2 LYS 20 2HG LYS 20 0.038 10.711 -14.688 134 HG3 LYS 20 1HG LYS 20 1.683 10.321 -15.188 135 HD2 LYS 20 2HD LYS 20 1.016 7.925 -15.303 136 HD3 LYS 20 1HD LYS 20 -0.643 8.413 -14.954 137 HE2 LYS 20 2HE LYS 20 -0.672 9.778 -16.980 138 HE3 LYS 20 1HE LYS 20 0.993 9.315 -17.322 139 HZ1 LYS 20 3HZ LYS 20 -1.380 7.530 -17.280 140 HZ2 LYS 20 1HZ LYS 20 0.214 6.981 -17.434 141 HZ3 LYS 20 2HZ LYS 20 -0.457 7.970 -18.628 142 H ALA 21 H ALA 21 4.424 9.592 -12.171 143 HA ALA 21 HA ALA 21 5.533 10.385 -14.726 144 HB1 ALA 21 1HB ALA 21 5.714 11.914 -12.854 145 HB2 ALA 21 2HB ALA 21 7.317 11.399 -13.381 146 HB3 ALA 21 3HB ALA 21 6.599 10.704 -11.929 147 H GLU 22 H GLU 22 6.471 8.874 -15.897 148 HA GLU 22 HA GLU 22 7.629 6.508 -14.850 149 HB2 GLU 22 2HB GLU 22 6.644 6.908 -17.184 150 HB3 GLU 22 1HB GLU 22 8.161 7.697 -17.574 151 HG2 GLU 22 2HG GLU 22 8.101 4.898 -16.515 152 HG3 GLU 22 1HG GLU 22 7.839 5.237 -18.223 153 H GLY 23 H GLY 23 9.450 6.439 -13.747 154 HA2 GLY 23 2HA GLY 23 11.848 6.707 -13.691 155 HA3 GLY 23 1HA GLY 23 11.644 8.254 -14.505 156 H SER 24 H SER 24 9.219 8.013 -12.298 157 HA SER 24 HA SER 24 10.798 8.952 -10.025 158 HB2 SER 24 2HB SER 24 8.493 10.485 -11.251 159 HB3 SER 24 1HB SER 24 9.267 10.882 -9.715 160 HG SER 24 HG SER 24 11.147 10.599 -11.601 161 H PHE 25 H PHE 25 9.887 6.542 -9.912 162 HA PHE 25 HA PHE 25 7.205 6.521 -8.738 163 HB2 PHE 25 2HB PHE 25 9.081 4.211 -9.284 164 HB3 PHE 25 1HB PHE 25 7.394 4.091 -8.789 165 HD1 PHE 25 1HD PHE 25 5.697 5.296 -10.414 166 HD2 PHE 25 2HD PHE 25 9.605 4.012 -11.503 167 HE1 PHE 25 1HE PHE 25 5.018 5.242 -12.777 168 HE2 PHE 25 2HE PHE 25 8.932 3.961 -13.869 169 HZ PHE 25 HZ PHE 25 6.637 4.576 -14.507 170 H ASP 26 H ASP 26 6.906 6.482 -6.584 171 HA ASP 26 HA ASP 26 9.016 5.308 -4.931 172 HB2 ASP 26 2HB ASP 26 9.062 7.892 -4.919 173 HB3 ASP 26 1HB ASP 26 7.580 7.769 -3.973 174 H HIS 27 H HIS 27 7.844 3.505 -4.658 175 HA HIS 27 HA HIS 27 5.086 3.445 -4.059 176 HB2 HIS 27 2HB HIS 27 6.657 1.658 -5.085 177 HB3 HIS 27 1HB HIS 27 6.997 1.227 -3.419 178 HD1 HIS 27 1HD HIS 27 4.575 0.754 -6.137 179 HD2 HIS 27 2HD HIS 27 4.730 0.161 -2.018 180 HE1 HIS 27 1HE HIS 27 2.673 -0.804 -5.596 181 HE2 HIS 27 2HE HIS 27 2.988 -1.365 -3.161 182 H LYS 28 H LYS 28 7.917 3.694 -2.075 183 HA LYS 28 HA LYS 28 6.718 2.972 0.399 184 HB2 LYS 28 2HB LYS 28 9.189 3.140 -0.048 185 HB3 LYS 28 1HB LYS 28 8.987 4.888 -0.064 186 HG2 LYS 28 2HG LYS 28 8.267 4.865 2.244 187 HG3 LYS 28 1HG LYS 28 8.358 3.105 2.279 188 HD2 LYS 28 2HD LYS 28 10.321 3.980 3.334 189 HD3 LYS 28 1HD LYS 28 10.795 3.289 1.782 190 HE2 LYS 28 2HE LYS 28 10.831 5.512 0.790 191 HE3 LYS 28 1HE LYS 28 10.301 6.217 2.315 192 HZ1 LYS 28 3HZ LYS 28 12.845 4.743 1.913 193 HZ2 LYS 28 1HZ LYS 28 12.342 5.491 3.342 194 HZ3 LYS 28 2HZ LYS 28 12.694 6.426 1.977 195 H ALA 29 H ALA 29 7.350 6.075 -1.213 196 HA ALA 29 HA ALA 29 6.135 7.767 0.653 197 HB1 ALA 29 1HB ALA 29 5.986 9.396 -1.135 198 HB2 ALA 29 2HB ALA 29 6.244 8.132 -2.337 199 HB3 ALA 29 3HB ALA 29 7.534 8.554 -1.213 200 H PHE 30 H PHE 30 4.803 5.755 -1.853 201 HA PHE 30 HA PHE 30 2.217 6.761 -2.005 202 HB2 PHE 30 2HB PHE 30 3.117 5.020 -3.509 203 HB3 PHE 30 1HB PHE 30 3.110 3.869 -2.179 204 HD1 PHE 30 1HD PHE 30 0.992 5.827 -4.463 205 HD2 PHE 30 2HD PHE 30 1.112 2.759 -1.516 206 HE1 PHE 30 1HE PHE 30 -1.305 5.174 -5.054 207 HE2 PHE 30 2HE PHE 30 -1.186 2.103 -2.100 208 HZ PHE 30 HZ PHE 30 -2.397 3.311 -3.871 209 H PHE 31 H PHE 31 3.428 4.115 0.099 210 HA PHE 31 HA PHE 31 0.963 3.789 1.448 211 HB2 PHE 31 2HB PHE 31 3.746 2.976 2.259 212 HB3 PHE 31 1HB PHE 31 2.290 2.518 3.139 213 HD1 PHE 31 2HD PHE 31 0.382 1.819 1.150 214 HD2 PHE 31 1HD PHE 31 4.581 1.145 1.163 215 HE1 PHE 31 2HE PHE 31 0.071 -0.101 -0.351 216 HE2 PHE 31 1HE PHE 31 4.278 -0.777 -0.336 217 HZ PHE 31 HZ PHE 31 2.023 -1.405 -1.094 218 H THR 32 H THR 32 3.778 5.771 2.255 219 HA THR 32 HA THR 32 2.724 6.457 4.825 220 HB THR 32 HB THR 32 5.098 6.504 4.600 221 HG1 THR 32 1HG THR 32 4.209 8.115 5.972 222 HG21 THR 32 3HG2 THR 32 4.692 8.550 2.425 223 HG22 THR 32 1HG2 THR 32 5.357 6.924 2.246 224 HG23 THR 32 2HG2 THR 32 6.251 8.149 3.147 225 H LYS 33 H LYS 33 2.267 7.656 1.637 226 HA LYS 33 HA LYS 33 1.243 10.210 2.544 227 HB2 LYS 33 2HB LYS 33 2.485 10.031 0.438 228 HB3 LYS 33 1HB LYS 33 1.248 8.965 -0.207 229 HG2 LYS 33 2HG LYS 33 -0.359 10.706 -0.252 230 HG3 LYS 33 1HG LYS 33 0.679 11.776 0.690 231 HD2 LYS 33 2HD LYS 33 1.381 10.729 -2.049 232 HD3 LYS 33 1HD LYS 33 0.608 12.289 -1.758 233 HE2 LYS 33 2HE LYS 33 2.522 12.958 -0.370 234 HE3 LYS 33 1HE LYS 33 3.295 11.410 -0.705 235 HZ1 LYS 33 3HZ LYS 33 4.124 13.208 -2.113 236 HZ2 LYS 33 1HZ LYS 33 2.577 13.425 -2.762 237 HZ3 LYS 33 2HZ LYS 33 3.410 11.977 -3.022 238 H VAL 34 H VAL 34 -0.072 7.214 1.113 239 HA VAL 34 HA VAL 34 -2.746 8.093 1.106 240 HB VAL 34 HB VAL 34 -3.317 5.796 0.687 241 HG11 VAL 34 1HG1 VAL 34 -0.787 6.518 -0.750 242 HG12 VAL 34 2HG1 VAL 34 -2.404 7.089 -1.159 243 HG13 VAL 34 3HG1 VAL 34 -2.009 5.378 -1.313 244 HG21 VAL 34 3HG2 VAL 34 -0.474 5.126 1.364 245 HG22 VAL 34 1HG2 VAL 34 -1.661 3.998 0.707 246 HG23 VAL 34 2HG2 VAL 34 -1.897 4.694 2.310 247 H GLY 35 H GLY 35 -0.677 6.980 3.590 248 HA2 GLY 35 2HA GLY 35 -1.136 7.154 5.873 249 HA3 GLY 35 1HA GLY 35 -2.847 7.267 5.500 250 H LEU 36 H LEU 36 -0.959 4.717 4.091 251 HA LEU 36 HA LEU 36 -2.598 2.821 5.606 252 HB2 LEU 36 2HB LEU 36 -2.454 2.851 3.049 253 HB3 LEU 36 1HB LEU 36 -0.850 2.170 3.249 254 HG LEU 36 HG LEU 36 -1.903 0.277 4.520 255 HD11 LEU 36 1HD1 LEU 36 -4.295 -0.081 4.275 256 HD12 LEU 36 2HD1 LEU 36 -4.456 1.464 3.442 257 HD13 LEU 36 3HD1 LEU 36 -3.976 1.422 5.137 258 HD21 LEU 36 3HD2 LEU 36 -1.254 0.108 2.152 259 HD22 LEU 36 1HD2 LEU 36 -2.872 0.636 1.689 260 HD23 LEU 36 2HD2 LEU 36 -2.652 -0.890 2.551 261 H ALA 37 H ALA 37 0.186 4.191 6.249 262 HA ALA 37 HA ALA 37 1.485 1.712 7.126 263 HB1 ALA 37 1HB ALA 37 3.327 3.126 7.825 264 HB2 ALA 37 2HB ALA 37 2.378 4.578 7.518 265 HB3 ALA 37 3HB ALA 37 2.863 3.544 6.173 266 H ALA 38 H ALA 38 -0.574 4.247 8.224 267 HA ALA 38 HA ALA 38 -0.353 3.307 11.008 268 HB1 ALA 38 1HB ALA 38 -1.356 5.428 11.663 269 HB2 ALA 38 2HB ALA 38 -1.505 5.895 9.969 270 HB3 ALA 38 3HB ALA 38 0.092 5.695 10.692 271 H LYS 39 H LYS 39 -1.844 2.045 8.806 272 HA LYS 39 HA LYS 39 -4.624 2.464 9.196 273 HB2 LYS 39 2HB LYS 39 -4.624 0.065 8.072 274 HB3 LYS 39 1HB LYS 39 -4.276 1.523 7.158 275 HG2 LYS 39 2HG LYS 39 -2.750 -0.322 6.645 276 HG3 LYS 39 1HG LYS 39 -1.923 1.102 7.264 277 HD2 LYS 39 2HD LYS 39 -2.036 -0.071 9.547 278 HD3 LYS 39 1HD LYS 39 -2.420 -1.528 8.622 279 HE2 LYS 39 2HE LYS 39 -0.367 -1.394 7.417 280 HE3 LYS 39 1HE LYS 39 -0.027 0.210 8.069 281 HZ1 LYS 39 3HZ LYS 39 -0.011 -2.382 9.529 282 HZ2 LYS 39 1HZ LYS 39 0.077 -0.883 10.305 283 HZ3 LYS 39 2HZ LYS 39 1.301 -1.356 9.244 284 H SER 40 H SER 40 -6.045 0.547 9.698 285 HA SER 40 HA SER 40 -5.132 -0.793 12.152 286 HB2 SER 40 2HB SER 40 -7.985 -0.360 11.230 287 HB3 SER 40 1HB SER 40 -7.437 -0.840 12.838 288 HG SER 40 HG SER 40 -6.988 1.658 11.553 289 HA PRO 41 HA PRO 41 -5.273 -4.908 10.536 290 HB2 PRO 41 2HB PRO 41 -7.743 -5.365 12.166 291 HB3 PRO 41 1HB PRO 41 -6.307 -6.383 11.997 292 HG2 PRO 41 2HG PRO 41 -6.622 -4.868 14.151 293 HG3 PRO 41 1HG PRO 41 -5.028 -5.033 13.392 294 HD2 PRO 41 2HD PRO 41 -6.912 -2.734 13.356 295 HD3 PRO 41 1HD PRO 41 -5.140 -2.744 13.287 296 H ALA 42 H ALA 42 -8.643 -3.734 10.873 297 HA ALA 42 HA ALA 42 -9.614 -5.312 8.715 298 HB1 ALA 42 1HB ALA 42 -10.867 -2.907 10.028 299 HB2 ALA 42 2HB ALA 42 -11.058 -4.582 10.541 300 HB3 ALA 42 3HB ALA 42 -11.689 -4.061 8.979 301 H ASP 43 H ASP 43 -8.066 -2.257 8.854 302 HA ASP 43 HA ASP 43 -9.151 -1.069 6.515 303 HB2 ASP 43 2HB ASP 43 -7.882 0.088 8.382 304 HB3 ASP 43 1HB ASP 43 -6.413 -0.605 7.713 305 H ILE 44 H ILE 44 -6.148 -2.828 7.182 306 HA ILE 44 HA ILE 44 -5.355 -2.965 4.482 307 HB ILE 44 HB ILE 44 -4.390 -4.094 7.022 308 HG12 ILE 44 2HG1 ILE 44 -3.090 -2.878 4.571 309 HG13 ILE 44 1HG1 ILE 44 -3.522 -2.034 6.050 310 HG21 ILE 44 1HG2 ILE 44 -4.518 -6.169 5.745 311 HG22 ILE 44 2HG2 ILE 44 -2.838 -5.672 5.951 312 HG23 ILE 44 3HG2 ILE 44 -3.651 -5.413 4.407 313 HD11 ILE 44 3HD1 ILE 44 -1.852 -3.312 7.269 314 HD12 ILE 44 1HD1 ILE 44 -1.139 -2.458 5.896 315 HD13 ILE 44 2HD1 ILE 44 -1.448 -4.196 5.797 316 H LYS 45 H LYS 45 -7.687 -4.753 6.260 317 HA LYS 45 HA LYS 45 -7.715 -7.057 4.581 318 HB2 LYS 45 2HB LYS 45 -9.888 -5.914 6.341 319 HB3 LYS 45 1HB LYS 45 -9.943 -7.494 5.568 320 HG2 LYS 45 2HG LYS 45 -7.855 -6.623 7.555 321 HG3 LYS 45 1HG LYS 45 -9.274 -7.599 7.936 322 HD2 LYS 45 2HD LYS 45 -8.484 -9.434 6.730 323 HD3 LYS 45 1HD LYS 45 -7.340 -8.458 5.810 324 HE2 LYS 45 2HE LYS 45 -6.239 -9.869 7.505 325 HE3 LYS 45 1HE LYS 45 -5.960 -8.149 7.761 326 HZ1 LYS 45 3HZ LYS 45 -6.455 -9.273 9.830 327 HZ2 LYS 45 1HZ LYS 45 -7.933 -9.822 9.221 328 HZ3 LYS 45 2HZ LYS 45 -7.680 -8.170 9.463 329 H LYS 46 H LYS 46 -9.471 -3.940 4.455 330 HA LYS 46 HA LYS 46 -10.822 -4.745 2.060 331 HB2 LYS 46 2HB LYS 46 -11.416 -2.373 1.755 332 HB3 LYS 46 1HB LYS 46 -11.820 -2.966 3.350 333 HG2 LYS 46 2HG LYS 46 -10.997 -0.840 3.740 334 HG3 LYS 46 1HG LYS 46 -9.625 -1.882 4.106 335 HD2 LYS 46 2HD LYS 46 -8.946 0.085 2.814 336 HD3 LYS 46 1HD LYS 46 -8.660 -1.404 1.916 337 HE2 LYS 46 2HE LYS 46 -9.593 0.352 0.489 338 HE3 LYS 46 1HE LYS 46 -10.677 -1.029 0.609 339 HZ1 LYS 46 3HZ LYS 46 -11.865 1.061 0.773 340 HZ2 LYS 46 1HZ LYS 46 -10.944 1.511 2.118 341 HZ3 LYS 46 2HZ LYS 46 -11.995 0.193 2.221 342 H VAL 47 H VAL 47 -7.702 -3.557 2.847 343 HA VAL 47 HA VAL 47 -6.851 -2.882 0.228 344 HB VAL 47 HB VAL 47 -5.218 -3.863 2.575 345 HG11 VAL 47 1HG1 VAL 47 -4.334 -2.508 0.030 346 HG12 VAL 47 2HG1 VAL 47 -4.027 -4.187 0.474 347 HG13 VAL 47 3HG1 VAL 47 -3.301 -2.880 1.410 348 HG21 VAL 47 3HG2 VAL 47 -6.421 -1.787 3.035 349 HG22 VAL 47 1HG2 VAL 47 -5.756 -1.069 1.568 350 HG23 VAL 47 2HG2 VAL 47 -4.686 -1.498 2.901 351 H PHE 48 H PHE 48 -6.893 -5.892 2.077 352 HA PHE 48 HA PHE 48 -5.802 -7.742 0.392 353 HB2 PHE 48 2HB PHE 48 -6.794 -8.476 2.451 354 HB3 PHE 48 1HB PHE 48 -8.360 -7.828 2.008 355 HD1 PHE 48 1HD PHE 48 -9.642 -8.980 0.124 356 HD2 PHE 48 2HD PHE 48 -6.260 -10.716 2.036 357 HE1 PHE 48 1HE PHE 48 -10.350 -11.203 -0.651 358 HE2 PHE 48 2HE PHE 48 -6.956 -12.937 1.254 359 HZ PHE 48 HZ PHE 48 -9.003 -13.186 -0.092 360 H GLU 49 H GLU 49 -9.037 -6.343 0.221 361 HA GLU 49 HA GLU 49 -9.732 -7.605 -2.229 362 HB2 GLU 49 2HB GLU 49 -10.870 -5.105 -0.962 363 HB3 GLU 49 1HB GLU 49 -11.611 -6.011 -2.273 364 HG2 GLU 49 2HG GLU 49 -11.842 -7.948 -0.802 365 HG3 GLU 49 1HG GLU 49 -11.098 -7.035 0.509 366 H ILE 50 H ILE 50 -7.946 -4.679 -1.521 367 HA ILE 50 HA ILE 50 -8.497 -3.371 -3.974 368 HB ILE 50 HB ILE 50 -6.066 -2.904 -2.249 369 HG12 ILE 50 2HG1 ILE 50 -8.748 -1.508 -2.186 370 HG13 ILE 50 1HG1 ILE 50 -8.219 -2.690 -0.995 371 HG21 ILE 50 1HG2 ILE 50 -5.912 -0.800 -3.325 372 HG22 ILE 50 2HG2 ILE 50 -7.497 -0.986 -4.074 373 HG23 ILE 50 3HG2 ILE 50 -6.149 -1.979 -4.614 374 HD11 ILE 50 3HD1 ILE 50 -6.273 -1.183 -0.517 375 HD12 ILE 50 1HD1 ILE 50 -7.854 -0.536 -0.074 376 HD13 ILE 50 2HD1 ILE 50 -7.052 0.023 -1.541 377 H ILE 51 H ILE 51 -5.516 -5.232 -3.002 378 HA ILE 51 HA ILE 51 -4.334 -4.814 -5.556 379 HB ILE 51 HB ILE 51 -2.882 -6.900 -5.063 380 HG12 ILE 51 2HG1 ILE 51 -4.644 -7.515 -3.148 381 HG13 ILE 51 1HG1 ILE 51 -2.939 -7.921 -3.005 382 HG21 ILE 51 1HG2 ILE 51 -1.404 -5.616 -3.638 383 HG22 ILE 51 2HG2 ILE 51 -2.716 -4.510 -3.225 384 HG23 ILE 51 3HG2 ILE 51 -2.123 -4.597 -4.885 385 HD11 ILE 51 3HD1 ILE 51 -3.850 -7.014 -0.931 386 HD12 ILE 51 1HD1 ILE 51 -4.274 -5.520 -1.766 387 HD13 ILE 51 2HD1 ILE 51 -2.581 -5.982 -1.589 388 H ASP 52 H ASP 52 -6.440 -7.297 -4.226 389 HA ASP 52 HA ASP 52 -6.375 -8.690 -6.765 390 HB2 ASP 52 2HB ASP 52 -6.711 -9.829 -4.447 391 HB3 ASP 52 1HB ASP 52 -8.375 -9.275 -4.597 392 H GLN 53 H GLN 53 -7.134 -6.825 -7.997 393 HA GLN 53 HA GLN 53 -9.399 -5.346 -7.334 394 HB2 GLN 53 2HB GLN 53 -9.251 -4.353 -9.501 395 HB3 GLN 53 1HB GLN 53 -7.625 -4.626 -8.911 396 HG2 GLN 53 2HG GLN 53 -7.346 -5.356 -11.025 397 HG3 GLN 53 1HG GLN 53 -7.896 -6.864 -10.300 398 HE21 GLN 53 1HE2 GLN 53 -9.975 -4.115 -10.948 399 HE22 GLN 53 2HE2 GLN 53 -10.905 -4.880 -12.185 400 H ASP 54 H ASP 54 -9.182 -8.432 -8.851 401 HA ASP 54 HA ASP 54 -12.053 -8.347 -9.506 402 HB2 ASP 54 2HB ASP 54 -11.729 -10.132 -10.975 403 HB3 ASP 54 1HB ASP 54 -10.246 -9.201 -11.156 404 H LYS 55 H LYS 55 -10.026 -9.240 -7.049 405 HA LYS 55 HA LYS 55 -10.210 -10.480 -5.168 406 HB2 LYS 55 2HB LYS 55 -11.841 -8.668 -4.862 407 HB3 LYS 55 1HB LYS 55 -13.110 -9.718 -5.479 408 HG2 LYS 55 2HG LYS 55 -12.955 -11.156 -3.607 409 HG3 LYS 55 1HG LYS 55 -11.448 -10.413 -3.072 410 HD2 LYS 55 2HD LYS 55 -13.335 -9.690 -1.699 411 HD3 LYS 55 1HD LYS 55 -12.629 -8.339 -2.584 412 HE2 LYS 55 2HE LYS 55 -14.414 -8.433 -4.215 413 HE3 LYS 55 1HE LYS 55 -15.094 -9.856 -3.425 414 HZ1 LYS 55 3HZ LYS 55 -15.674 -8.596 -1.540 415 HZ2 LYS 55 1HZ LYS 55 -16.179 -7.682 -2.869 416 HZ3 LYS 55 2HZ LYS 55 -14.764 -7.257 -2.034 417 H SER 56 H SER 56 -9.750 -12.386 -6.651 418 HA SER 56 HA SER 56 -11.738 -14.430 -5.963 419 HB2 SER 56 2HB SER 56 -11.021 -15.661 -8.061 420 HB3 SER 56 1HB SER 56 -11.971 -14.201 -8.328 421 HG SER 56 HG SER 56 -10.367 -13.422 -9.418 422 H ASP 57 H ASP 57 -9.142 -13.309 -4.869 423 HA ASP 57 HA ASP 57 -7.722 -14.168 -3.331 424 HB2 ASP 57 2HB ASP 57 -8.962 -16.719 -4.227 425 HB3 ASP 57 1HB ASP 57 -7.453 -16.797 -3.326 426 H PHE 58 H PHE 58 -7.171 -13.802 -6.342 427 HA PHE 58 HA PHE 58 -4.375 -14.589 -6.033 428 HB2 PHE 58 2HB PHE 58 -5.964 -15.161 -8.546 429 HB3 PHE 58 1HB PHE 58 -4.211 -15.288 -8.410 430 HD1 PHE 58 1HD PHE 58 -3.280 -16.927 -6.691 431 HD2 PHE 58 2HD PHE 58 -7.326 -16.969 -8.007 432 HE1 PHE 58 1HE PHE 58 -3.502 -19.251 -5.919 433 HE2 PHE 58 2HE PHE 58 -7.554 -19.295 -7.237 434 HZ PHE 58 HZ PHE 58 -5.643 -20.439 -6.191 435 H VAL 59 H VAL 59 -2.999 -13.023 -6.633 436 HA VAL 59 HA VAL 59 -4.177 -10.642 -7.915 437 HB VAL 59 HB VAL 59 -2.229 -10.661 -5.624 438 HG11 VAL 59 1HG1 VAL 59 -2.233 -8.748 -7.304 439 HG12 VAL 59 2HG1 VAL 59 -2.290 -8.395 -5.585 440 HG13 VAL 59 3HG1 VAL 59 -3.764 -8.300 -6.546 441 HG21 VAL 59 3HG2 VAL 59 -4.050 -9.824 -4.237 442 HG22 VAL 59 1HG2 VAL 59 -4.385 -11.441 -4.860 443 HG23 VAL 59 2HG2 VAL 59 -5.156 -10.038 -5.596 444 H GLU 60 H GLU 60 -3.139 -11.406 -9.928 445 HA GLU 60 HA GLU 60 -0.261 -11.616 -9.983 446 HB2 GLU 60 2HB GLU 60 -2.303 -11.589 -12.207 447 HB3 GLU 60 1HB GLU 60 -0.577 -11.775 -12.470 448 HG2 GLU 60 2HG GLU 60 -0.635 -13.807 -11.049 449 HG3 GLU 60 1HG GLU 60 -2.390 -13.644 -10.968 450 H GLU 61 H GLU 61 0.645 -10.326 -12.149 451 HA GLU 61 HA GLU 61 0.919 -7.663 -11.282 452 HB2 GLU 61 2HB GLU 61 2.598 -8.848 -12.663 453 HB3 GLU 61 1HB GLU 61 1.496 -8.766 -14.032 454 HG2 GLU 61 2HG GLU 61 1.510 -6.273 -13.744 455 HG3 GLU 61 1HG GLU 61 2.843 -6.496 -12.610 456 H ASP 62 H ASP 62 -1.099 -9.111 -13.805 457 HA ASP 62 HA ASP 62 -2.176 -6.757 -14.875 458 HB2 ASP 62 2HB ASP 62 -3.169 -9.571 -14.671 459 HB3 ASP 62 1HB ASP 62 -4.252 -8.313 -15.262 460 H GLU 63 H GLU 63 -2.837 -8.455 -11.935 461 HA GLU 63 HA GLU 63 -5.274 -7.165 -11.281 462 HB2 GLU 63 2HB GLU 63 -3.810 -9.228 -10.223 463 HB3 GLU 63 1HB GLU 63 -3.538 -7.951 -9.047 464 HG2 GLU 63 2HG GLU 63 -5.390 -9.154 -8.286 465 HG3 GLU 63 1HG GLU 63 -6.032 -7.662 -8.966 466 H LEU 64 H LEU 64 -1.884 -6.612 -10.380 467 HA LEU 64 HA LEU 64 -2.300 -4.330 -8.797 468 HB2 LEU 64 2HB LEU 64 0.031 -5.571 -10.142 469 HB3 LEU 64 1HB LEU 64 0.189 -3.893 -9.661 470 HG LEU 64 HG LEU 64 1.096 -5.453 -7.986 471 HD11 LEU 64 1HD1 LEU 64 0.260 -3.264 -7.295 472 HD12 LEU 64 2HD1 LEU 64 0.018 -4.479 -6.041 473 HD13 LEU 64 3HD1 LEU 64 -1.340 -3.958 -7.036 474 HD21 LEU 64 3HD2 LEU 64 -0.446 -6.820 -6.653 475 HD22 LEU 64 1HD2 LEU 64 -0.394 -7.330 -8.340 476 HD23 LEU 64 2HD2 LEU 64 -1.759 -6.384 -7.746 477 H LYS 65 H LYS 65 -2.340 -4.770 -12.179 478 HA LYS 65 HA LYS 65 -1.677 -2.150 -12.981 479 HB2 LYS 65 2HB LYS 65 -2.622 -4.566 -14.215 480 HB3 LYS 65 1HB LYS 65 -3.563 -3.206 -14.807 481 HG2 LYS 65 2HG LYS 65 -1.653 -3.677 -16.241 482 HG3 LYS 65 1HG LYS 65 -1.528 -2.078 -15.507 483 HD2 LYS 65 2HD LYS 65 0.095 -2.841 -13.939 484 HD3 LYS 65 1HD LYS 65 -0.160 -4.527 -14.403 485 HE2 LYS 65 2HE LYS 65 0.725 -4.068 -16.616 486 HE3 LYS 65 1HE LYS 65 0.932 -2.366 -16.205 487 HZ1 LYS 65 3HZ LYS 65 2.461 -3.166 -14.397 488 HZ2 LYS 65 1HZ LYS 65 3.023 -3.388 -15.977 489 HZ3 LYS 65 2HZ LYS 65 2.399 -4.701 -15.117 490 H LEU 66 H LEU 66 -4.810 -3.725 -12.411 491 HA LEU 66 HA LEU 66 -6.062 -1.081 -12.562 492 HB2 LEU 66 2HB LEU 66 -7.348 -3.800 -12.712 493 HB3 LEU 66 1HB LEU 66 -8.149 -2.255 -12.961 494 HG LEU 66 HG LEU 66 -5.992 -3.467 -14.686 495 HD11 LEU 66 1HD1 LEU 66 -8.874 -2.815 -15.249 496 HD12 LEU 66 2HD1 LEU 66 -8.183 -4.427 -15.048 497 HD13 LEU 66 3HD1 LEU 66 -7.706 -3.426 -16.420 498 HD21 LEU 66 3HD2 LEU 66 -6.214 -1.477 -16.093 499 HD22 LEU 66 1HD2 LEU 66 -5.633 -1.062 -14.474 500 HD23 LEU 66 2HD2 LEU 66 -7.320 -0.767 -14.916 501 H PHE 67 H PHE 67 -4.790 -2.921 -10.267 502 HA PHE 67 HA PHE 67 -6.719 -2.989 -8.237 503 HB2 PHE 67 2HB PHE 67 -5.044 -3.924 -7.090 504 HB3 PHE 67 1HB PHE 67 -4.032 -3.673 -8.495 505 HD1 PHE 67 2HD PHE 67 -2.561 -1.634 -8.579 506 HD2 PHE 67 1HD PHE 67 -4.641 -2.819 -5.073 507 HE1 PHE 67 2HE PHE 67 -1.050 -0.250 -7.218 508 HE2 PHE 67 1HE PHE 67 -3.139 -1.442 -3.703 509 HZ PHE 67 HZ PHE 67 -1.337 -0.153 -4.775 510 H LEU 68 H LEU 68 -4.909 -0.422 -9.634 511 HA LEU 68 HA LEU 68 -5.262 1.573 -7.676 512 HB2 LEU 68 2HB LEU 68 -5.117 1.865 -10.680 513 HB3 LEU 68 1HB LEU 68 -4.974 3.180 -9.534 514 HG LEU 68 HG LEU 68 -2.788 2.742 -10.209 515 HD11 LEU 68 1HD1 LEU 68 -2.993 2.978 -7.802 516 HD12 LEU 68 2HD1 LEU 68 -1.665 1.896 -8.219 517 HD13 LEU 68 3HD1 LEU 68 -3.191 1.234 -7.634 518 HD21 LEU 68 3HD2 LEU 68 -3.306 0.574 -11.302 519 HD22 LEU 68 1HD2 LEU 68 -3.219 -0.192 -9.718 520 HD23 LEU 68 2HD2 LEU 68 -1.786 0.573 -10.397 521 H GLN 69 H GLN 69 -7.252 0.459 -10.334 522 HA GLN 69 HA GLN 69 -9.214 2.499 -10.143 523 HB2 GLN 69 2HB GLN 69 -9.462 -0.295 -11.263 524 HB3 GLN 69 1HB GLN 69 -10.565 1.041 -11.564 525 HG2 GLN 69 2HG GLN 69 -7.673 0.908 -12.376 526 HG3 GLN 69 1HG GLN 69 -9.062 0.713 -13.430 527 HE21 GLN 69 1HE2 GLN 69 -7.084 2.935 -11.699 528 HE22 GLN 69 2HE2 GLN 69 -7.742 4.380 -12.377 529 H ASN 70 H ASN 70 -8.488 -0.335 -8.390 530 HA ASN 70 HA ASN 70 -11.087 -0.500 -7.100 531 HB2 ASN 70 2HB ASN 70 -9.572 -2.489 -7.439 532 HB3 ASN 70 1HB ASN 70 -8.479 -1.784 -6.254 533 HD21 ASN 70 1HD2 ASN 70 -9.885 -4.292 -6.199 534 HD22 ASN 70 2HD2 ASN 70 -10.846 -4.291 -4.769 535 H PHE 71 H PHE 71 -7.853 0.688 -6.399 536 HA PHE 71 HA PHE 71 -8.232 1.366 -3.707 537 HB2 PHE 71 2HB PHE 71 -6.088 1.315 -5.312 538 HB3 PHE 71 1HB PHE 71 -6.419 3.041 -5.375 539 HD1 PHE 71 1HD PHE 71 -6.965 4.035 -2.895 540 HD2 PHE 71 2HD PHE 71 -4.537 0.654 -3.779 541 HE1 PHE 71 1HE PHE 71 -5.783 4.326 -0.756 542 HE2 PHE 71 2HE PHE 71 -3.357 0.936 -1.641 543 HZ PHE 71 HZ PHE 71 -3.979 2.773 -0.125 544 H SER 72 H SER 72 -8.624 3.297 -6.670 545 HA SER 72 HA SER 72 -10.392 5.098 -5.237 546 HB2 SER 72 2HB SER 72 -9.087 7.093 -6.168 547 HB3 SER 72 1HB SER 72 -8.372 6.246 -4.796 548 HG SER 72 HG SER 72 -7.258 4.990 -6.555 549 H ALA 73 H ALA 73 -11.370 6.739 -6.757 550 HA ALA 73 HA ALA 73 -12.343 5.324 -9.047 551 HB1 ALA 73 1HB ALA 73 -13.823 7.226 -9.350 552 HB2 ALA 73 2HB ALA 73 -12.899 8.154 -8.169 553 HB3 ALA 73 3HB ALA 73 -13.801 6.727 -7.658 554 H GLY 74 H GLY 74 -10.373 8.228 -8.550 555 HA2 GLY 74 2HA GLY 74 -9.780 8.233 -11.439 556 HA3 GLY 74 1HA GLY 74 -9.623 9.626 -10.377 557 H ALA 75 H ALA 75 -8.249 6.499 -11.212 558 HA ALA 75 HA ALA 75 -5.783 7.313 -9.827 559 HB1 ALA 75 1HB ALA 75 -6.795 4.495 -10.125 560 HB2 ALA 75 2HB ALA 75 -6.980 5.487 -8.678 561 HB3 ALA 75 3HB ALA 75 -5.370 5.031 -9.233 562 H ARG 76 H ARG 76 -3.826 6.186 -10.639 563 HA ARG 76 HA ARG 76 -3.902 6.005 -13.557 564 HB2 ARG 76 2HB ARG 76 -1.504 6.607 -11.831 565 HB3 ARG 76 1HB ARG 76 -1.619 6.761 -13.573 566 HG2 ARG 76 2HG ARG 76 -3.236 8.407 -11.651 567 HG3 ARG 76 1HG ARG 76 -1.670 8.904 -12.286 568 HD2 ARG 76 2HD ARG 76 -3.295 9.949 -13.628 569 HD3 ARG 76 1HD ARG 76 -2.648 8.629 -14.591 570 HE ARG 76 HE ARG 76 -4.831 7.537 -13.420 571 HH11 ARG 76 1HH1 ARG 76 -4.334 10.466 -15.266 572 HH12 ARG 76 2HH1 ARG 76 -5.925 10.452 -15.955 573 HH21 ARG 76 1HH2 ARG 76 -6.923 7.511 -14.315 574 HH22 ARG 76 2HH2 ARG 76 -7.402 8.768 -15.412 575 H ALA 77 H ALA 77 -3.440 4.065 -14.439 576 HA ALA 77 HA ALA 77 -2.930 1.798 -12.834 577 HB1 ALA 77 1HB ALA 77 -2.710 2.118 -15.824 578 HB2 ALA 77 2HB ALA 77 -4.140 1.604 -14.926 579 HB3 ALA 77 3HB ALA 77 -2.701 0.580 -14.959 580 H LEU 78 H LEU 78 -1.103 1.160 -11.976 581 HA LEU 78 HA LEU 78 1.396 2.369 -12.484 582 HB2 LEU 78 2HB LEU 78 0.397 0.116 -10.838 583 HB3 LEU 78 1HB LEU 78 2.111 0.130 -11.192 584 HG LEU 78 HG LEU 78 2.424 2.200 -10.054 585 HD11 LEU 78 1HD1 LEU 78 0.571 3.446 -9.029 586 HD12 LEU 78 2HD1 LEU 78 -0.572 2.368 -9.832 587 HD13 LEU 78 3HD1 LEU 78 0.475 3.415 -10.789 588 HD21 LEU 78 3HD2 LEU 78 2.285 0.239 -8.628 589 HD22 LEU 78 1HD2 LEU 78 0.544 0.463 -8.469 590 HD23 LEU 78 2HD2 LEU 78 1.651 1.661 -7.799 591 H SER 79 H SER 79 3.052 1.816 -13.771 592 HA SER 79 HA SER 79 3.095 -0.773 -15.088 593 HB2 SER 79 2HB SER 79 3.012 1.825 -16.648 594 HB3 SER 79 1HB SER 79 3.268 0.224 -17.339 595 HG SER 79 HG SER 79 1.035 0.379 -15.762 596 H ASP 80 H ASP 80 5.084 -0.630 -16.760 597 HA ASP 80 HA ASP 80 7.340 -0.565 -16.979 598 HB2 ASP 80 2HB ASP 80 6.837 2.016 -15.544 599 HB3 ASP 80 1HB ASP 80 8.492 1.466 -15.756 600 H ALA 81 H ALA 81 9.289 0.278 -15.047 601 HA ALA 81 HA ALA 81 9.683 -2.114 -13.735 602 HB1 ALA 81 1HB ALA 81 11.464 -0.512 -14.189 603 HB2 ALA 81 2HB ALA 81 11.443 -0.973 -12.487 604 HB3 ALA 81 3HB ALA 81 10.790 0.588 -12.986 605 H GLU 82 H GLU 82 7.747 0.584 -12.739 606 HA GLU 82 HA GLU 82 7.812 0.409 -9.970 607 HB2 GLU 82 2HB GLU 82 6.714 2.265 -10.856 608 HB3 GLU 82 1HB GLU 82 5.778 1.303 -11.985 609 HG2 GLU 82 2HG GLU 82 4.302 2.174 -10.358 610 HG3 GLU 82 1HG GLU 82 4.462 0.446 -10.075 611 H THR 83 H THR 83 5.585 -1.266 -12.221 612 HA THR 83 HA THR 83 4.295 -2.682 -10.129 613 HB THR 83 HB THR 83 4.404 -3.810 -12.899 614 HG1 THR 83 1HG THR 83 3.306 -1.332 -12.094 615 HG21 THR 83 3HG2 THR 83 3.093 -4.894 -11.090 616 HG22 THR 83 1HG2 THR 83 2.078 -4.327 -12.421 617 HG23 THR 83 2HG2 THR 83 2.158 -3.407 -10.919 618 H LYS 84 H LYS 84 7.209 -3.260 -11.963 619 HA LYS 84 HA LYS 84 7.300 -6.076 -11.520 620 HB2 LYS 84 2HB LYS 84 9.645 -4.291 -12.145 621 HB3 LYS 84 1HB LYS 84 9.441 -5.995 -12.521 622 HG2 LYS 84 2HG LYS 84 7.818 -3.771 -13.714 623 HG3 LYS 84 1HG LYS 84 9.216 -4.525 -14.478 624 HD2 LYS 84 2HD LYS 84 8.072 -6.679 -14.480 625 HD3 LYS 84 1HD LYS 84 6.681 -5.951 -13.676 626 HE2 LYS 84 2HE LYS 84 6.290 -6.187 -16.072 627 HE3 LYS 84 1HE LYS 84 6.324 -4.491 -15.595 628 HZ1 LYS 84 3HZ LYS 84 8.575 -5.967 -16.849 629 HZ2 LYS 84 1HZ LYS 84 8.583 -4.333 -16.417 630 HZ3 LYS 84 2HZ LYS 84 7.554 -4.880 -17.640 631 H VAL 85 H VAL 85 9.300 -3.416 -10.262 632 HA VAL 85 HA VAL 85 10.563 -5.160 -8.364 633 HB VAL 85 HB VAL 85 11.939 -3.468 -9.306 634 HG11 VAL 85 1HG1 VAL 85 11.497 -1.071 -9.075 635 HG12 VAL 85 2HG1 VAL 85 9.959 -1.435 -8.292 636 HG13 VAL 85 3HG1 VAL 85 10.219 -1.890 -9.979 637 HG21 VAL 85 3HG2 VAL 85 12.748 -2.245 -7.345 638 HG22 VAL 85 1HG2 VAL 85 12.414 -3.936 -6.970 639 HG23 VAL 85 2HG2 VAL 85 11.278 -2.679 -6.474 640 H PHE 86 H PHE 86 8.005 -2.745 -8.239 641 HA PHE 86 HA PHE 86 8.110 -2.709 -5.368 642 HB2 PHE 86 2HB PHE 86 6.549 -1.176 -7.412 643 HB3 PHE 86 1HB PHE 86 6.189 -1.061 -5.701 644 HD1 PHE 86 1HD PHE 86 8.705 -1.055 -4.380 645 HD2 PHE 86 2HD PHE 86 7.637 0.738 -8.085 646 HE1 PHE 86 1HE PHE 86 10.518 0.592 -4.105 647 HE2 PHE 86 2HE PHE 86 9.443 2.385 -7.821 648 HZ PHE 86 HZ PHE 86 10.888 2.314 -5.828 649 H LEU 87 H LEU 87 6.226 -4.359 -7.808 650 HA LEU 87 HA LEU 87 4.386 -5.337 -5.803 651 HB2 LEU 87 2HB LEU 87 3.370 -5.518 -7.843 652 HB3 LEU 87 1HB LEU 87 4.864 -5.865 -8.682 653 HG LEU 87 HG LEU 87 3.956 -8.019 -6.900 654 HD11 LEU 87 1HD1 LEU 87 1.777 -7.259 -7.689 655 HD12 LEU 87 2HD1 LEU 87 2.215 -8.790 -8.448 656 HD13 LEU 87 3HD1 LEU 87 2.364 -7.285 -9.353 657 HD21 LEU 87 3HD2 LEU 87 4.800 -7.898 -9.797 658 HD22 LEU 87 1HD2 LEU 87 4.574 -9.368 -8.847 659 HD23 LEU 87 2HD2 LEU 87 5.859 -8.234 -8.426 660 H LYS 88 H LYS 88 7.508 -6.161 -7.076 661 HA LYS 88 HA LYS 88 7.722 -8.709 -5.837 662 HB2 LYS 88 2HB LYS 88 9.224 -8.119 -7.618 663 HB3 LYS 88 1HB LYS 88 9.833 -6.732 -6.723 664 HG2 LYS 88 2HG LYS 88 11.445 -8.501 -6.660 665 HG3 LYS 88 1HG LYS 88 10.754 -8.304 -5.046 666 HD2 LYS 88 2HD LYS 88 9.236 -10.175 -5.476 667 HD3 LYS 88 1HD LYS 88 9.945 -10.370 -7.081 668 HE2 LYS 88 2HE LYS 88 10.864 -11.979 -5.467 669 HE3 LYS 88 1HE LYS 88 12.103 -10.885 -6.082 670 HZ1 LYS 88 3HZ LYS 88 11.935 -9.595 -4.057 671 HZ2 LYS 88 1HZ LYS 88 12.270 -11.207 -3.681 672 HZ3 LYS 88 2HZ LYS 88 10.707 -10.597 -3.472 673 H ALA 89 H ALA 89 7.939 -5.458 -4.677 674 HA ALA 89 HA ALA 89 9.356 -5.781 -2.299 675 HB1 ALA 89 1HB ALA 89 8.195 -3.847 -1.468 676 HB2 ALA 89 2HB ALA 89 6.894 -4.063 -2.636 677 HB3 ALA 89 3HB ALA 89 8.510 -3.607 -3.187 678 H GLY 90 H GLY 90 6.294 -6.995 -3.245 679 HA2 GLY 90 2HA GLY 90 5.601 -7.663 -0.463 680 HA3 GLY 90 1HA GLY 90 4.475 -7.642 -1.814 681 H ASP 91 H ASP 91 5.358 -9.156 -3.684 682 HA ASP 91 HA ASP 91 4.954 -11.789 -2.796 683 HB2 ASP 91 2HB ASP 91 4.560 -10.914 -5.109 684 HB3 ASP 91 1HB ASP 91 6.303 -10.939 -5.362 685 H SER 92 H SER 92 6.351 -12.978 -1.606 686 HA SER 92 HA SER 92 9.149 -12.198 -1.510 687 HB2 SER 92 2HB SER 92 7.750 -14.347 0.094 688 HB3 SER 92 1HB SER 92 9.278 -13.554 0.471 689 HG SER 92 HG SER 92 6.656 -12.491 0.562 690 H ASP 93 H ASP 93 7.154 -14.571 -2.913 691 HA ASP 93 HA ASP 93 9.242 -16.564 -3.203 692 HB2 ASP 93 2HB ASP 93 6.801 -16.662 -4.910 693 HB3 ASP 93 1HB ASP 93 7.649 -17.968 -4.092 694 H GLY 94 H GLY 94 8.044 -13.848 -4.920 695 HA2 GLY 94 2HA GLY 94 8.650 -12.886 -6.922 696 HA3 GLY 94 1HA GLY 94 9.990 -14.027 -6.994 697 H ASP 95 H ASP 95 6.490 -14.523 -6.859 698 HA ASP 95 HA ASP 95 6.791 -16.341 -9.147 699 HB2 ASP 95 2HB ASP 95 4.977 -17.645 -8.272 700 HB3 ASP 95 1HB ASP 95 6.128 -17.375 -6.972 701 H GLY 96 H GLY 96 5.440 -13.389 -8.188 702 HA2 GLY 96 2HA GLY 96 4.843 -11.936 -10.013 703 HA3 GLY 96 1HA GLY 96 4.140 -13.315 -10.836 704 H LYS 97 H LYS 97 3.514 -12.664 -7.447 705 HA LYS 97 HA LYS 97 0.966 -11.345 -8.011 706 HB2 LYS 97 2HB LYS 97 -0.398 -13.017 -6.924 707 HB3 LYS 97 1HB LYS 97 0.458 -13.768 -8.265 708 HG2 LYS 97 2HG LYS 97 1.926 -14.900 -6.845 709 HG3 LYS 97 1HG LYS 97 1.498 -13.905 -5.440 710 HD2 LYS 97 2HD LYS 97 0.473 -16.102 -5.265 711 HD3 LYS 97 1HD LYS 97 -0.781 -14.890 -5.527 712 HE2 LYS 97 2HE LYS 97 -1.260 -16.802 -6.897 713 HE3 LYS 97 1HE LYS 97 -0.765 -15.471 -7.939 714 HZ1 LYS 97 3HZ LYS 97 0.362 -17.350 -8.724 715 HZ2 LYS 97 1HZ LYS 97 0.795 -17.863 -7.171 716 HZ3 LYS 97 2HZ LYS 97 1.529 -16.497 -7.843 717 H ILE 98 H ILE 98 0.139 -10.296 -6.345 718 HA ILE 98 HA ILE 98 1.818 -10.065 -3.996 719 HB ILE 98 HB ILE 98 -0.577 -8.520 -4.958 720 HG12 ILE 98 2HG1 ILE 98 1.595 -7.983 -5.964 721 HG13 ILE 98 1HG1 ILE 98 0.987 -6.647 -4.989 722 HG21 ILE 98 1HG2 ILE 98 0.846 -8.236 -2.323 723 HG22 ILE 98 2HG2 ILE 98 -0.827 -8.745 -2.567 724 HG23 ILE 98 3HG2 ILE 98 -0.337 -7.099 -2.968 725 HD11 ILE 98 3HD1 ILE 98 3.131 -8.614 -4.230 726 HD12 ILE 98 1HD1 ILE 98 2.462 -7.390 -3.151 727 HD13 ILE 98 2HD1 ILE 98 3.331 -6.904 -4.607 728 H GLY 99 H GLY 99 1.490 -11.964 -2.859 729 HA2 GLY 99 2HA GLY 99 -1.021 -12.782 -1.871 730 HA3 GLY 99 1HA GLY 99 0.518 -12.955 -1.017 731 H VAL 100 H VAL 100 -2.266 -11.917 -0.189 732 HA VAL 100 HA VAL 100 -2.034 -9.122 0.073 733 HB VAL 100 HB VAL 100 -3.721 -11.082 1.613 734 HG11 VAL 100 1HG1 VAL 100 -3.392 -8.994 2.851 735 HG12 VAL 100 2HG1 VAL 100 -5.050 -9.158 2.278 736 HG13 VAL 100 3HG1 VAL 100 -3.934 -8.081 1.442 737 HG21 VAL 100 3HG2 VAL 100 -5.488 -10.247 0.072 738 HG22 VAL 100 1HG2 VAL 100 -4.177 -11.078 -0.766 739 HG23 VAL 100 2HG2 VAL 100 -4.257 -9.318 -0.784 740 H ASP 101 H ASP 101 -1.238 -11.774 2.231 741 HA ASP 101 HA ASP 101 -0.303 -10.314 4.428 742 HB2 ASP 101 2HB ASP 101 -0.603 -12.818 4.255 743 HB3 ASP 101 1HB ASP 101 0.905 -12.868 3.347 744 H GLU 102 H GLU 102 1.303 -11.386 1.482 745 HA GLU 102 HA GLU 102 3.872 -10.397 1.900 746 HB2 GLU 102 2HB GLU 102 2.374 -10.444 -0.728 747 HB3 GLU 102 1HB GLU 102 4.117 -10.470 -0.512 748 HG2 GLU 102 2HG GLU 102 2.328 -12.653 0.506 749 HG3 GLU 102 1HG GLU 102 2.999 -12.643 -1.118 750 H PHE 103 H PHE 103 1.007 -8.837 0.529 751 HA PHE 103 HA PHE 103 2.208 -6.400 -0.188 752 HB2 PHE 103 2HB PHE 103 -0.125 -7.303 -0.814 753 HB3 PHE 103 1HB PHE 103 -0.653 -6.633 0.725 754 HD1 PHE 103 1HD PHE 103 1.318 -5.578 -2.260 755 HD2 PHE 103 2HD PHE 103 -1.570 -4.532 0.674 756 HE1 PHE 103 1HE PHE 103 1.039 -3.383 -3.332 757 HE2 PHE 103 2HE PHE 103 -1.857 -2.330 -0.391 758 HZ PHE 103 HZ PHE 103 -0.553 -1.754 -2.396 759 H GLY 104 H GLY 104 0.509 -7.396 2.764 760 HA2 GLY 104 2HA GLY 104 0.602 -5.013 4.185 761 HA3 GLY 104 1HA GLY 104 0.648 -6.608 4.918 762 H ALA 105 H ALA 105 3.120 -7.412 3.703 763 HA ALA 105 HA ALA 105 4.924 -6.325 5.617 764 HB1 ALA 105 1HB ALA 105 5.068 -8.643 4.848 765 HB2 ALA 105 2HB ALA 105 6.584 -7.782 4.583 766 HB3 ALA 105 3HB ALA 105 5.493 -8.083 3.230 767 H MET 106 H MET 106 4.338 -5.679 2.188 768 HA MET 106 HA MET 106 6.705 -4.043 1.946 769 HB2 MET 106 2HB MET 106 6.175 -3.739 -0.280 770 HB3 MET 106 1HB MET 106 5.373 -5.272 0.031 771 HG2 MET 106 2HG MET 106 3.263 -4.308 0.039 772 HG3 MET 106 1HG MET 106 3.902 -2.701 0.346 773 HE1 MET 106 3HE MET 106 4.021 -4.815 -3.744 774 HE2 MET 106 1HE MET 106 3.207 -5.461 -2.321 775 HE3 MET 106 2HE MET 106 4.969 -5.378 -2.368 776 H ILE 107 H ILE 107 3.474 -3.616 3.023 777 HA ILE 107 HA ILE 107 3.321 -0.786 2.559 778 HB ILE 107 HB ILE 107 1.684 -2.479 4.470 779 HG12 ILE 107 2HG1 ILE 107 1.012 -1.608 1.654 780 HG13 ILE 107 1HG1 ILE 107 1.531 -3.231 2.101 781 HG21 ILE 107 1HG2 ILE 107 0.064 -0.659 4.318 782 HG22 ILE 107 2HG2 ILE 107 1.179 0.246 3.294 783 HG23 ILE 107 3HG2 ILE 107 1.606 -0.106 4.969 784 HD11 ILE 107 3HD1 ILE 107 -0.936 -1.863 3.140 785 HD12 ILE 107 1HD1 ILE 107 -0.438 -3.521 3.463 786 HD13 ILE 107 2HD1 ILE 107 -0.899 -3.043 1.831 787 H LYS 108 H LYS 108 4.255 -2.933 5.103 788 HA LYS 108 HA LYS 108 4.635 -0.789 7.011 789 HB2 LYS 108 2HB LYS 108 3.710 -2.769 7.893 790 HB3 LYS 108 1HB LYS 108 4.923 -3.788 7.125 791 HG2 LYS 108 2HG LYS 108 5.860 -1.791 9.113 792 HG3 LYS 108 1HG LYS 108 4.968 -3.187 9.714 793 HD2 LYS 108 2HD LYS 108 7.418 -3.323 7.954 794 HD3 LYS 108 1HD LYS 108 7.420 -3.535 9.706 795 HE2 LYS 108 2HE LYS 108 5.828 -5.438 9.395 796 HE3 LYS 108 1HE LYS 108 6.056 -5.277 7.656 797 HZ1 LYS 108 3HZ LYS 108 7.479 -6.990 8.560 798 HZ2 LYS 108 1HZ LYS 108 8.183 -5.888 9.634 799 HZ3 LYS 108 2HZ LYS 108 8.418 -5.714 7.971 800 H ALA 109 H ALA 109 6.569 -2.789 4.885 801 HA ALA 109 HA ALA 109 8.946 -1.311 5.801 802 HB1 ALA 109 1HB ALA 109 8.836 -4.177 4.874 803 HB2 ALA 109 2HB ALA 109 9.117 -3.621 6.523 804 HB3 ALA 109 3HB ALA 109 10.304 -3.283 5.264
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