NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
588490 | 2mtq | 25177 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 2.600 -0.951 -1.319 3 HB2 MET 1 2HB MET 1 1.748 0.172 -3.345 4 HB3 MET 1 3HB MET 1 0.481 -0.680 -2.473 5 HG2 MET 1 2HG MET 1 -0.279 1.424 -1.505 6 HG3 MET 1 3HG MET 1 0.998 2.282 -2.365 7 HE1 MET 1 3HE MET 1 -2.373 1.567 -2.086 8 HE2 MET 1 1HE MET 1 -3.128 1.675 -3.676 9 HE3 MET 1 2HE MET 1 -2.480 0.136 -3.112 10 H GLY 2 H GLY 2 1.990 2.228 -0.033 11 HA2 GLY 2 2HA GLY 2 3.356 4.056 0.219 12 HA3 GLY 2 3HA GLY 2 4.704 2.963 -0.058 13 H SER 3 H SER 3 5.902 4.338 -1.324 14 HA SER 3 HA SER 3 4.671 5.204 -3.854 15 HB2 SER 3 2HB SER 3 5.585 7.002 -2.370 16 HB3 SER 3 3HB SER 3 7.185 6.285 -2.560 17 HG SER 3 HG SER 3 7.161 7.725 -4.153 18 H TRP 4 H TRP 4 5.633 2.535 -3.412 19 HA TRP 4 HA TRP 4 8.223 2.213 -4.548 20 HB2 TRP 4 2HB TRP 4 7.509 0.412 -3.224 21 HB3 TRP 4 3HB TRP 4 5.929 0.350 -3.999 22 HD1 TRP 4 HD1 TRP 4 5.797 -0.847 -6.419 23 HE1 TRP 4 HE1 TRP 4 7.318 -2.610 -7.517 24 HE3 TRP 4 HE3 TRP 4 9.904 -0.364 -3.413 25 HZ2 TRP 4 HZ2 TRP 4 9.914 -3.657 -7.157 26 HZ3 TRP 4 HZ3 TRP 4 11.864 -1.784 -3.856 27 HH2 TRP 4 HH2 TRP 4 11.867 -3.396 -5.690 28 H ALA 5 H ALA 5 4.970 2.347 -5.842 29 HA ALA 5 HA ALA 5 5.386 1.288 -8.379 30 HB1 ALA 5 1HB ALA 5 3.511 2.916 -9.042 31 HB2 ALA 5 2HB ALA 5 3.165 1.700 -7.812 32 HB3 ALA 5 3HB ALA 5 3.495 3.366 -7.337 33 H GLU 6 H GLU 6 5.648 4.686 -7.333 34 HA GLU 6 HA GLU 6 6.435 5.748 -9.795 35 HB2 GLU 6 2HB GLU 6 6.029 6.719 -7.210 36 HB3 GLU 6 3HB GLU 6 7.711 7.089 -7.561 37 HG2 GLU 6 2HG GLU 6 6.902 8.929 -8.518 38 HG3 GLU 6 3HG GLU 6 6.493 7.866 -9.864 39 H PHE 7 H PHE 7 8.441 4.687 -7.051 40 HA PHE 7 HA PHE 7 10.928 5.203 -8.230 41 HB2 PHE 7 2HB PHE 7 9.953 3.543 -5.968 42 HB3 PHE 7 3HB PHE 7 11.550 3.160 -6.601 43 HD1 PHE 7 HD1 PHE 7 9.593 6.215 -5.714 44 HD2 PHE 7 HD2 PHE 7 13.310 4.150 -5.529 45 HE1 PHE 7 HE1 PHE 7 10.551 8.062 -4.400 46 HE2 PHE 7 HE2 PHE 7 14.273 5.993 -4.215 47 HZ PHE 7 HZ PHE 7 12.893 7.952 -3.648 48 H LYS 8 H LYS 8 8.770 2.451 -8.472 49 HA LYS 8 HA LYS 8 10.593 0.672 -9.710 50 HB2 LYS 8 2HB LYS 8 8.509 -0.079 -8.642 51 HB3 LYS 8 3HB LYS 8 7.575 0.754 -9.878 52 HG2 LYS 8 2HG LYS 8 7.614 -1.092 -11.093 53 HG3 LYS 8 3HG LYS 8 9.364 -0.922 -11.246 54 HD2 LYS 8 2HD LYS 8 9.102 -1.992 -8.740 55 HD3 LYS 8 3HD LYS 8 7.786 -2.774 -9.619 56 HE2 LYS 8 2HE LYS 8 9.771 -3.013 -11.424 57 HE3 LYS 8 3HE LYS 8 10.709 -3.042 -9.932 58 HZ1 LYS 8 3HZ LYS 8 9.941 -5.058 -9.400 59 HZ2 LYS 8 1HZ LYS 8 9.515 -5.183 -11.032 60 HZ3 LYS 8 2HZ LYS 8 8.359 -4.714 -9.890 61 H GLN 9 H GLN 9 8.193 2.941 -11.000 62 HA GLN 9 HA GLN 9 8.546 2.283 -13.716 63 HB2 GLN 9 2HB GLN 9 6.803 3.847 -12.381 64 HB3 GLN 9 3HB GLN 9 7.863 5.085 -13.040 65 HG2 GLN 9 2HG GLN 9 7.135 3.105 -15.025 66 HG3 GLN 9 3HG GLN 9 5.726 3.891 -14.314 67 HE21 GLN 9 1HE2 GLN 9 7.919 4.066 -16.744 68 HE22 GLN 9 2HE2 GLN 9 7.816 5.751 -17.112 69 H ARG 10 H ARG 10 9.818 5.064 -11.876 70 HA ARG 10 HA ARG 10 11.445 6.102 -13.876 71 HB2 ARG 10 2HB ARG 10 11.841 6.160 -10.880 72 HB3 ARG 10 3HB ARG 10 12.725 7.161 -12.023 73 HG2 ARG 10 2HG ARG 10 11.078 8.644 -12.127 74 HG3 ARG 10 3HG ARG 10 9.871 7.388 -12.407 75 HD2 ARG 10 2HD ARG 10 9.094 7.888 -10.375 76 HD3 ARG 10 3HD ARG 10 10.518 7.054 -9.753 77 HE ARG 10 HE ARG 10 11.282 9.067 -9.018 78 HH11 ARG 10 1HH1 ARG 10 9.029 9.630 -11.612 79 HH12 ARG 10 2HH1 ARG 10 9.093 11.355 -11.467 80 HH21 ARG 10 1HH2 ARG 10 11.374 11.337 -8.817 81 HH22 ARG 10 2HH2 ARG 10 10.428 12.325 -9.878 82 H LEU 11 H LEU 11 12.185 3.679 -11.397 83 HA LEU 11 HA LEU 11 14.913 3.378 -12.008 84 HB2 LEU 11 2HB LEU 11 14.033 2.546 -9.942 85 HB3 LEU 11 3HB LEU 11 12.922 1.474 -10.792 86 HG LEU 11 HG LEU 11 15.767 1.010 -11.368 87 HD11 LEU 11 1HD1 LEU 11 16.308 1.317 -9.171 88 HD12 LEU 11 2HD1 LEU 11 15.770 -0.362 -9.120 89 HD13 LEU 11 3HD1 LEU 11 14.685 0.927 -8.599 90 HD21 LEU 11 3HD2 LEU 11 14.300 -1.227 -10.356 91 HD22 LEU 11 1HD2 LEU 11 14.907 -0.938 -11.987 92 HD23 LEU 11 2HD2 LEU 11 13.309 -0.353 -11.524 93 H ALA 12 H ALA 12 12.024 1.800 -13.278 94 HA ALA 12 HA ALA 12 13.332 -0.167 -14.817 95 HB1 ALA 12 1HB ALA 12 11.097 0.046 -16.184 96 HB2 ALA 12 2HB ALA 12 11.107 -0.641 -14.559 97 HB3 ALA 12 3HB ALA 12 10.607 1.032 -14.806 98 H ALA 13 H ALA 13 12.216 3.105 -15.613 99 HA ALA 13 HA ALA 13 12.911 3.024 -18.347 100 HB1 ALA 13 1HB ALA 13 13.072 5.659 -17.776 101 HB2 ALA 13 2HB ALA 13 11.558 4.798 -18.056 102 HB3 ALA 13 3HB ALA 13 12.116 5.088 -16.408 103 H ILE 14 H ILE 14 14.688 4.026 -15.462 104 HA ILE 14 HA ILE 14 16.937 5.083 -16.809 105 HB ILE 14 HB ILE 14 16.683 3.955 -14.021 106 HG12 ILE 14 2HG1 ILE 14 16.961 6.846 -14.810 107 HG13 ILE 14 3HG1 ILE 14 15.386 6.060 -14.769 108 HG21 ILE 14 1HG2 ILE 14 18.814 5.736 -14.075 109 HG22 ILE 14 2HG2 ILE 14 18.906 3.981 -13.939 110 HG23 ILE 14 3HG2 ILE 14 19.022 4.749 -15.522 111 HD11 ILE 14 3HD1 ILE 14 17.246 6.679 -12.518 112 HD12 ILE 14 1HD1 ILE 14 15.534 7.061 -12.695 113 HD13 ILE 14 2HD1 ILE 14 16.038 5.404 -12.363 114 H LYS 15 H LYS 15 16.222 1.871 -15.499 115 HA LYS 15 HA LYS 15 18.760 0.748 -16.077 116 HB2 LYS 15 2HB LYS 15 16.726 -0.082 -14.573 117 HB3 LYS 15 3HB LYS 15 16.325 -0.970 -16.037 118 HG2 LYS 15 2HG LYS 15 19.090 -1.328 -15.549 119 HG3 LYS 15 3HG LYS 15 18.230 -1.608 -14.034 120 HD2 LYS 15 2HD LYS 15 17.182 -2.828 -16.547 121 HD3 LYS 15 3HD LYS 15 18.583 -3.556 -15.758 122 HE2 LYS 15 2HE LYS 15 17.168 -3.481 -13.620 123 HE3 LYS 15 3HE LYS 15 15.799 -3.198 -14.694 124 HZ1 LYS 15 3HZ LYS 15 16.573 -5.274 -15.895 125 HZ2 LYS 15 1HZ LYS 15 15.866 -5.496 -14.375 126 HZ3 LYS 15 2HZ LYS 15 17.546 -5.579 -14.545 127 H THR 16 H THR 16 15.703 0.868 -17.847 128 HA THR 16 HA THR 16 16.426 -0.840 -19.959 129 HB THR 16 HB THR 16 14.491 1.484 -19.992 130 HG1 THR 16 HG1 THR 16 13.577 0.102 -18.622 131 HG21 THR 16 3HG2 THR 16 15.421 -0.215 -22.096 132 HG22 THR 16 1HG2 THR 16 14.221 1.074 -22.164 133 HG23 THR 16 2HG2 THR 16 13.725 -0.572 -21.772 134 H ARG 17 H ARG 17 16.500 2.719 -19.761 135 HA ARG 17 HA ARG 17 17.681 3.100 -22.298 136 HB2 ARG 17 2HB ARG 17 17.265 4.791 -19.873 137 HB3 ARG 17 3HB ARG 17 18.388 5.356 -21.104 138 HG2 ARG 17 2HG ARG 17 16.356 6.348 -21.664 139 HG3 ARG 17 3HG ARG 17 16.489 4.975 -22.764 140 HD2 ARG 17 2HD ARG 17 15.107 3.665 -21.117 141 HD3 ARG 17 3HD ARG 17 14.827 5.182 -20.262 142 HE ARG 17 HE ARG 17 13.565 4.312 -22.667 143 HH11 ARG 17 1HH1 ARG 17 14.650 7.127 -20.929 144 HH12 ARG 17 2HH1 ARG 17 13.506 8.191 -21.679 145 HH21 ARG 17 1HH2 ARG 17 12.054 5.703 -23.660 146 HH22 ARG 17 2HH2 ARG 17 12.029 7.380 -23.231 147 H CYS 18 H CYS 18 18.999 2.499 -19.116 148 HA CYS 18 HA CYS 18 21.690 3.196 -19.772 149 HB2 CYS 18 2HB CYS 18 21.110 3.274 -17.470 150 HB3 CYS 18 3HB CYS 18 20.450 1.644 -17.504 151 HG CYS 18 HG CYS 18 22.930 0.393 -17.774 152 H GLN 19 H GLN 19 19.844 0.187 -19.692 153 HA GLN 19 HA GLN 19 22.070 -1.493 -20.285 154 HB2 GLN 19 2HB GLN 19 19.095 -1.963 -20.519 155 HB3 GLN 19 3HB GLN 19 20.313 -3.207 -20.765 156 HG2 GLN 19 2HG GLN 19 20.699 -1.842 -18.252 157 HG3 GLN 19 3HG GLN 19 19.077 -2.520 -18.380 158 HE21 GLN 19 1HE2 GLN 19 22.188 -3.650 -19.636 159 HE22 GLN 19 2HE2 GLN 19 22.154 -5.180 -18.834 160 H ALA 20 H ALA 20 19.668 0.201 -22.194 161 HA ALA 20 HA ALA 20 20.475 -1.077 -24.662 162 HB1 ALA 20 1HB ALA 20 18.125 -0.344 -24.180 163 HB2 ALA 20 2HB ALA 20 18.683 1.321 -24.343 164 HB3 ALA 20 3HB ALA 20 18.782 0.219 -25.717 165 H LEU 21 H LEU 21 21.126 1.882 -22.926 166 HA LEU 21 HA LEU 21 22.525 3.635 -23.315 167 HB2 LEU 21 2HB LEU 21 23.905 1.433 -24.824 168 HB3 LEU 21 3HB LEU 21 24.599 3.044 -24.657 169 HG LEU 21 HG LEU 21 23.986 1.124 -22.411 170 HD11 LEU 21 1HD1 LEU 21 26.722 2.062 -22.817 171 HD12 LEU 21 2HD1 LEU 21 26.101 1.073 -24.139 172 HD13 LEU 21 3HD1 LEU 21 26.111 0.439 -22.493 173 HD21 LEU 21 3HD2 LEU 21 24.033 2.873 -21.048 174 HD22 LEU 21 1HD2 LEU 21 24.279 3.962 -22.413 175 HD23 LEU 21 2HD2 LEU 21 25.668 3.241 -21.599 176 H GLY 22 H GLY 22 20.624 4.493 -24.569 177 HA2 GLY 22 2HA GLY 22 20.280 4.393 -27.289 178 HA3 GLY 22 3HA GLY 22 19.956 5.825 -26.323 179 H GLY 23 H GLY 23 22.780 6.092 -25.521 180 HA2 GLY 23 2HA GLY 23 24.882 6.471 -26.702 181 HA3 GLY 23 3HA GLY 23 23.932 6.905 -28.116 182 H SER 24 H SER 24 24.512 7.901 -24.752 183 HA SER 24 HA SER 24 24.850 10.638 -25.578 184 HB2 SER 24 2HB SER 24 22.487 9.861 -23.855 185 HB3 SER 24 3HB SER 24 23.058 11.515 -24.072 186 HG SER 24 HG SER 24 22.445 11.463 -26.170 187 H GLU 25 H GLU 25 26.574 11.250 -24.468 188 HA GLU 25 HA GLU 25 27.594 9.934 -22.221 189 HB2 GLU 25 2HB GLU 25 29.014 12.020 -21.966 190 HB3 GLU 25 3HB GLU 25 29.107 11.206 -23.522 191 HG2 GLU 25 2HG GLU 25 28.527 13.065 -24.560 192 HG3 GLU 25 3HG GLU 25 27.027 13.143 -23.637 193 H ALA 26 H ALA 26 25.138 12.313 -22.500 194 HA ALA 26 HA ALA 26 25.335 13.219 -19.758 195 HB1 ALA 26 1HB ALA 26 23.510 13.832 -22.049 196 HB2 ALA 26 2HB ALA 26 23.089 14.326 -20.409 197 HB3 ALA 26 3HB ALA 26 24.579 14.910 -21.150 198 H GLU 27 H GLU 27 23.150 11.195 -21.688 199 HA GLU 27 HA GLU 27 21.196 10.657 -19.823 200 HB2 GLU 27 2HB GLU 27 22.370 9.025 -22.049 201 HB3 GLU 27 3HB GLU 27 21.137 8.335 -21.004 202 HG2 GLU 27 2HG GLU 27 19.598 10.112 -21.611 203 HG3 GLU 27 3HG GLU 27 20.836 10.856 -22.621 204 H CYS 28 H CYS 28 24.214 8.838 -20.340 205 HA CYS 28 HA CYS 28 23.881 6.937 -18.346 206 HB2 CYS 28 2HB CYS 28 26.503 8.198 -19.171 207 HB3 CYS 28 3HB CYS 28 26.283 6.615 -18.436 208 HG CYS 28 HG CYS 28 26.813 5.883 -20.946 209 H ALA 29 H ALA 29 25.354 10.158 -18.140 210 HA ALA 29 HA ALA 29 26.155 10.015 -15.454 211 HB1 ALA 29 1HB ALA 29 26.564 11.802 -17.386 212 HB2 ALA 29 2HB ALA 29 25.276 12.636 -16.515 213 HB3 ALA 29 3HB ALA 29 26.762 12.190 -15.676 214 H ALA 30 H ALA 30 23.164 11.258 -16.916 215 HA ALA 30 HA ALA 30 21.932 12.169 -14.585 216 HB1 ALA 30 1HB ALA 30 21.200 12.523 -16.988 217 HB2 ALA 30 2HB ALA 30 20.440 10.935 -16.884 218 HB3 ALA 30 3HB ALA 30 19.920 12.233 -15.809 219 H PHE 31 H PHE 31 22.064 8.945 -15.999 220 HA PHE 31 HA PHE 31 20.150 7.758 -14.277 221 HB2 PHE 31 2HB PHE 31 22.426 6.517 -15.836 222 HB3 PHE 31 3HB PHE 31 21.149 5.608 -15.035 223 HD1 PHE 31 HD1 PHE 31 18.810 7.320 -15.692 224 HD2 PHE 31 HD2 PHE 31 22.080 6.017 -18.085 225 HE1 PHE 31 HE1 PHE 31 17.409 7.512 -17.705 226 HE2 PHE 31 HE2 PHE 31 20.685 6.208 -20.102 227 HZ PHE 31 HZ PHE 31 18.346 6.957 -19.914 228 H GLU 32 H GLU 32 23.707 7.803 -14.218 229 HA GLU 32 HA GLU 32 24.102 6.280 -11.932 230 HB2 GLU 32 2HB GLU 32 25.749 7.526 -13.665 231 HB3 GLU 32 3HB GLU 32 25.888 8.616 -12.293 232 HG2 GLU 32 2HG GLU 32 26.496 6.687 -10.873 233 HG3 GLU 32 3HG GLU 32 26.462 5.663 -12.307 234 H LYS 33 H LYS 33 23.659 9.794 -12.214 235 HA LYS 33 HA LYS 33 23.865 10.328 -9.443 236 HB2 LYS 33 2HB LYS 33 23.218 11.805 -11.870 237 HB3 LYS 33 3HB LYS 33 22.260 12.336 -10.494 238 HG2 LYS 33 2HG LYS 33 24.011 13.669 -10.090 239 HG3 LYS 33 3HG LYS 33 24.725 12.219 -9.381 240 HD2 LYS 33 2HD LYS 33 26.232 12.004 -11.039 241 HD3 LYS 33 3HD LYS 33 25.068 12.458 -12.287 242 HE2 LYS 33 2HE LYS 33 25.431 14.750 -11.946 243 HE3 LYS 33 3HE LYS 33 26.209 14.483 -10.386 244 HZ1 LYS 33 3HZ LYS 33 27.644 13.111 -12.376 245 HZ2 LYS 33 1HZ LYS 33 28.160 14.390 -11.395 246 HZ3 LYS 33 2HZ LYS 33 27.420 14.710 -12.882 247 H GLU 34 H GLU 34 20.991 10.221 -11.559 248 HA GLU 34 HA GLU 34 19.039 10.545 -9.646 249 HB2 GLU 34 2HB GLU 34 19.036 8.920 -12.185 250 HB3 GLU 34 3HB GLU 34 17.596 9.127 -11.198 251 HG2 GLU 34 2HG GLU 34 17.581 11.474 -11.567 252 HG3 GLU 34 3HG GLU 34 19.173 11.425 -12.322 253 H ILE 35 H ILE 35 20.500 7.492 -10.736 254 HA ILE 35 HA ILE 35 19.019 5.790 -9.070 255 HB ILE 35 HB ILE 35 21.766 5.467 -10.270 256 HG12 ILE 35 2HG1 ILE 35 19.799 5.587 -11.805 257 HG13 ILE 35 3HG1 ILE 35 20.653 4.049 -11.876 258 HG21 ILE 35 1HG2 ILE 35 21.049 2.943 -9.762 259 HG22 ILE 35 2HG2 ILE 35 22.008 3.910 -8.643 260 HG23 ILE 35 3HG2 ILE 35 20.271 3.739 -8.394 261 HD11 ILE 35 3HD1 ILE 35 18.253 3.723 -11.923 262 HD12 ILE 35 1HD1 ILE 35 18.947 3.040 -10.453 263 HD13 ILE 35 2HD1 ILE 35 18.091 4.581 -10.391 264 H ALA 36 H ALA 36 22.134 7.404 -8.568 265 HA ALA 36 HA ALA 36 22.844 6.254 -6.140 266 HB1 ALA 36 1HB ALA 36 24.583 7.505 -6.805 267 HB2 ALA 36 2HB ALA 36 23.554 8.691 -7.610 268 HB3 ALA 36 3HB ALA 36 23.803 8.778 -5.866 269 H ALA 37 H ALA 37 20.930 9.193 -6.737 270 HA ALA 37 HA ALA 37 20.454 9.766 -4.006 271 HB1 ALA 37 1HB ALA 37 18.330 10.802 -5.562 272 HB2 ALA 37 2HB ALA 37 19.735 11.654 -4.920 273 HB3 ALA 37 3HB ALA 37 19.804 10.923 -6.523 274 H PHE 38 H PHE 38 18.815 7.767 -6.367 275 HA PHE 38 HA PHE 38 16.373 7.427 -5.021 276 HB2 PHE 38 2HB PHE 38 17.720 6.269 -7.299 277 HB3 PHE 38 3HB PHE 38 16.917 5.016 -6.358 278 HD1 PHE 38 HD2 PHE 38 15.914 8.544 -6.965 279 HD2 PHE 38 HD1 PHE 38 15.051 4.424 -7.590 280 HE1 PHE 38 HE2 PHE 38 13.764 9.154 -7.994 281 HE2 PHE 38 HE1 PHE 38 12.900 5.027 -8.622 282 HZ PHE 38 HZ PHE 38 12.254 7.395 -8.824 283 H GLU 39 H GLU 39 19.259 5.334 -5.055 284 HA GLU 39 HA GLU 39 18.295 3.516 -3.126 285 HB2 GLU 39 2HB GLU 39 20.654 2.787 -2.941 286 HB3 GLU 39 3HB GLU 39 20.104 2.897 -4.607 287 HG2 GLU 39 2HG GLU 39 21.210 5.089 -4.799 288 HG3 GLU 39 3HG GLU 39 21.817 4.900 -3.154 289 H SER 40 H SER 40 20.238 6.451 -2.874 290 HA SER 40 HA SER 40 20.825 6.191 -0.111 291 HB2 SER 40 2HB SER 40 22.069 7.655 -1.739 292 HB3 SER 40 3HB SER 40 20.694 8.758 -1.706 293 HG SER 40 HG SER 40 21.400 9.511 0.115 294 H GLU 41 H GLU 41 18.125 7.485 -1.898 295 HA GLU 41 HA GLU 41 16.980 8.860 0.357 296 HB2 GLU 41 2HB GLU 41 16.132 8.309 -2.458 297 HB3 GLU 41 3HB GLU 41 14.925 8.820 -1.286 298 HG2 GLU 41 2HG GLU 41 17.283 10.487 -1.181 299 HG3 GLU 41 3HG GLU 41 16.577 10.449 -2.796 300 H LEU 42 H LEU 42 16.639 5.732 -1.182 301 HA LEU 42 HA LEU 42 14.282 4.985 0.267 302 HB2 LEU 42 2HB LEU 42 16.276 3.328 -1.269 303 HB3 LEU 42 3HB LEU 42 14.755 2.723 -0.616 304 HG LEU 42 HG LEU 42 14.701 5.018 -2.523 305 HD11 LEU 42 1HD1 LEU 42 14.337 2.902 -4.173 306 HD12 LEU 42 2HD1 LEU 42 15.625 2.299 -3.131 307 HD13 LEU 42 3HD1 LEU 42 15.845 3.804 -4.024 308 HD21 LEU 42 3HD2 LEU 42 12.874 2.897 -1.536 309 HD22 LEU 42 1HD2 LEU 42 12.652 3.475 -3.188 310 HD23 LEU 42 2HD2 LEU 42 12.568 4.608 -1.839 311 H GLN 43 H GLN 43 17.741 4.586 0.696 312 HA GLN 43 HA GLN 43 17.501 2.735 2.874 313 HB2 GLN 43 2HB GLN 43 19.859 2.842 3.034 314 HB3 GLN 43 3HB GLN 43 19.494 2.958 1.318 315 HG2 GLN 43 2HG GLN 43 20.794 4.748 1.271 316 HG3 GLN 43 3HG GLN 43 19.534 5.588 2.174 317 HE21 GLN 43 1HE2 GLN 43 20.133 6.490 4.004 318 HE22 GLN 43 2HE2 GLN 43 21.514 6.060 4.948 319 H ALA 44 H ALA 44 17.197 6.101 2.545 320 HA ALA 44 HA ALA 44 17.951 6.706 5.283 321 HB1 ALA 44 1HB ALA 44 16.628 8.581 3.342 322 HB2 ALA 44 2HB ALA 44 17.629 8.976 4.740 323 HB3 ALA 44 3HB ALA 44 18.360 8.246 3.310 324 H TYR 45 H TYR 45 15.187 5.675 3.611 325 HA TYR 45 HA TYR 45 13.071 6.933 4.837 326 HB2 TYR 45 2HB TYR 45 13.503 4.284 3.606 327 HB3 TYR 45 3HB TYR 45 12.126 4.389 4.697 328 HD1 TYR 45 HD2 TYR 45 10.979 6.963 4.259 329 HD2 TYR 45 HD1 TYR 45 12.780 4.358 1.418 330 HE1 TYR 45 HE2 TYR 45 9.639 7.994 2.473 331 HE2 TYR 45 HE1 TYR 45 11.446 5.382 -0.376 332 HH TYR 45 HH TYR 45 9.033 7.880 0.327 333 H LYS 46 H LYS 46 14.501 3.851 5.933 334 HA LYS 46 HA LYS 46 14.690 4.541 8.631 335 HB2 LYS 46 2HB LYS 46 12.039 4.209 7.925 336 HB3 LYS 46 3HB LYS 46 12.469 2.642 8.598 337 HG2 LYS 46 2HG LYS 46 12.790 5.304 9.968 338 HG3 LYS 46 3HG LYS 46 11.542 4.101 10.301 339 HD2 LYS 46 2HD LYS 46 13.744 2.580 10.587 340 HD3 LYS 46 3HD LYS 46 14.394 4.148 11.070 341 HE2 LYS 46 2HE LYS 46 12.611 4.386 12.719 342 HE3 LYS 46 3HE LYS 46 11.931 2.837 12.220 343 HZ1 LYS 46 3HZ LYS 46 13.893 1.722 12.988 344 HZ2 LYS 46 1HZ LYS 46 13.302 2.693 14.241 345 HZ3 LYS 46 2HZ LYS 46 14.653 3.189 13.352 346 H GLY 47 H GLY 47 13.462 1.681 6.872 347 HA2 GLY 47 2HA GLY 47 15.110 -0.124 8.337 348 HA3 GLY 47 3HA GLY 47 14.185 -0.504 6.892 349 H LYS 48 H LYS 48 17.271 0.336 8.176 350 HA LYS 48 HA LYS 48 18.690 1.129 5.946 351 HB2 LYS 48 2HB LYS 48 19.450 -0.461 8.376 352 HB3 LYS 48 3HB LYS 48 20.629 -0.171 7.103 353 HG2 LYS 48 2HG LYS 48 20.325 2.241 7.374 354 HG3 LYS 48 3HG LYS 48 19.153 1.944 8.661 355 HD2 LYS 48 2HD LYS 48 20.903 2.070 10.051 356 HD3 LYS 48 3HD LYS 48 21.321 0.459 9.462 357 HE2 LYS 48 2HE LYS 48 22.893 1.304 7.942 358 HE3 LYS 48 3HE LYS 48 22.248 2.941 8.051 359 HZ1 LYS 48 3HZ LYS 48 24.423 2.200 9.325 360 HZ2 LYS 48 1HZ LYS 48 23.294 1.750 10.502 361 HZ3 LYS 48 2HZ LYS 48 23.362 3.352 9.964 362 H GLY 49 H GLY 49 17.496 -2.040 6.783 363 HA2 GLY 49 2HA GLY 49 18.561 -3.036 4.218 364 HA3 GLY 49 3HA GLY 49 18.659 -4.012 5.676 365 H ASN 50 H ASN 50 15.889 -2.001 5.032 366 HA ASN 50 HA ASN 50 14.000 -3.968 5.443 367 HB2 ASN 50 2HB ASN 50 14.020 -1.250 4.401 368 HB3 ASN 50 3HB ASN 50 12.780 -2.239 3.634 369 HD21 ASN 50 1HD2 ASN 50 11.208 -0.932 4.653 370 HD22 ASN 50 2HD2 ASN 50 10.809 -1.160 6.318 371 HA PRO 51 HA PRO 51 13.744 -6.463 1.844 372 HB2 PRO 51 2HB PRO 51 11.067 -6.819 1.566 373 HB3 PRO 51 3HB PRO 51 12.008 -7.578 2.855 374 HG2 PRO 51 2HG PRO 51 10.309 -5.116 2.950 375 HG3 PRO 51 3HG PRO 51 10.428 -6.439 4.125 376 HD2 PRO 51 2HD PRO 51 11.695 -4.070 4.465 377 HD3 PRO 51 3HD PRO 51 12.363 -5.604 5.058 378 H GLU 52 H GLU 52 11.770 -3.549 1.870 379 HA GLU 52 HA GLU 52 11.198 -3.570 -0.925 380 HB2 GLU 52 2HB GLU 52 10.441 -1.247 -0.559 381 HB3 GLU 52 3HB GLU 52 9.747 -2.371 0.602 382 HG2 GLU 52 2HG GLU 52 11.471 -1.665 2.237 383 HG3 GLU 52 3HG GLU 52 12.014 -0.452 1.079 384 H VAL 53 H VAL 53 13.607 -1.955 1.101 385 HA VAL 53 HA VAL 53 14.778 -0.469 -1.032 386 HB VAL 53 HB VAL 53 16.082 -1.215 1.585 387 HG11 VAL 53 1HG1 VAL 53 16.655 0.753 -0.576 388 HG12 VAL 53 2HG1 VAL 53 17.061 1.171 1.089 389 HG13 VAL 53 3HG1 VAL 53 17.761 -0.266 0.343 390 HG21 VAL 53 3HG2 VAL 53 13.977 -0.230 2.134 391 HG22 VAL 53 1HG2 VAL 53 15.219 1.001 2.368 392 HG23 VAL 53 2HG2 VAL 53 14.195 1.043 0.933 393 H GLU 54 H GLU 54 15.052 -3.712 0.047 394 HA GLU 54 HA GLU 54 17.668 -4.344 -0.704 395 HB2 GLU 54 2HB GLU 54 15.141 -5.973 -0.577 396 HB3 GLU 54 3HB GLU 54 16.668 -6.684 -1.081 397 HG2 GLU 54 2HG GLU 54 17.191 -5.285 1.297 398 HG3 GLU 54 3HG GLU 54 15.691 -6.175 1.554 399 H ALA 55 H ALA 55 14.663 -4.712 -2.588 400 HA ALA 55 HA ALA 55 15.873 -5.565 -4.966 401 HB1 ALA 55 1HB ALA 55 13.256 -4.179 -4.437 402 HB2 ALA 55 2HB ALA 55 13.742 -4.732 -6.041 403 HB3 ALA 55 3HB ALA 55 13.545 -5.895 -4.729 404 H LEU 56 H LEU 56 14.780 -2.302 -4.030 405 HA LEU 56 HA LEU 56 15.601 -0.959 -6.323 406 HB2 LEU 56 2HB LEU 56 15.514 0.047 -3.483 407 HB3 LEU 56 3HB LEU 56 15.634 1.064 -4.917 408 HG LEU 56 HG LEU 56 13.320 -0.778 -4.788 409 HD11 LEU 56 1HD1 LEU 56 13.936 1.043 -2.639 410 HD12 LEU 56 2HD1 LEU 56 12.615 -0.115 -2.790 411 HD13 LEU 56 3HD1 LEU 56 12.446 1.508 -3.461 412 HD21 LEU 56 3HD2 LEU 56 13.078 0.525 -6.616 413 HD22 LEU 56 1HD2 LEU 56 14.063 1.829 -5.952 414 HD23 LEU 56 2HD2 LEU 56 12.381 1.653 -5.451 415 H ARG 57 H ARG 57 17.401 -1.774 -3.398 416 HA ARG 57 HA ARG 57 19.731 -0.306 -3.989 417 HB2 ARG 57 2HB ARG 57 19.033 -2.551 -2.166 418 HB3 ARG 57 3HB ARG 57 20.739 -2.278 -2.496 419 HG2 ARG 57 2HG ARG 57 20.521 0.029 -1.724 420 HG3 ARG 57 3HG ARG 57 18.809 -0.245 -1.394 421 HD2 ARG 57 2HD ARG 57 20.311 -0.404 0.605 422 HD3 ARG 57 3HD ARG 57 19.309 -1.825 0.312 423 HE ARG 57 HE ARG 57 21.210 -3.048 -0.056 424 HH11 ARG 57 1HH1 ARG 57 21.990 0.343 -0.164 425 HH12 ARG 57 2HH1 ARG 57 23.702 0.080 -0.225 426 HH21 ARG 57 1HH2 ARG 57 23.461 -3.407 -0.136 427 HH22 ARG 57 2HH2 ARG 57 24.537 -2.053 -0.210 428 H LYS 58 H LYS 58 18.822 -3.665 -4.671 429 HA LYS 58 HA LYS 58 21.249 -4.466 -5.831 430 HB2 LYS 58 2HB LYS 58 19.452 -6.019 -5.121 431 HB3 LYS 58 3HB LYS 58 18.464 -5.463 -6.466 432 HG2 LYS 58 2HG LYS 58 19.399 -7.475 -7.193 433 HG3 LYS 58 3HG LYS 58 20.368 -6.222 -7.973 434 HD2 LYS 58 2HD LYS 58 21.853 -7.902 -7.127 435 HD3 LYS 58 3HD LYS 58 22.030 -6.457 -6.128 436 HE2 LYS 58 2HE LYS 58 20.714 -7.417 -4.383 437 HE3 LYS 58 3HE LYS 58 20.248 -8.777 -5.404 438 HZ1 LYS 58 3HZ LYS 58 22.570 -8.451 -3.788 439 HZ2 LYS 58 1HZ LYS 58 22.989 -8.809 -5.387 440 HZ3 LYS 58 2HZ LYS 58 21.966 -9.847 -4.529 441 H GLU 59 H GLU 59 18.216 -3.536 -7.472 442 HA GLU 59 HA GLU 59 19.183 -3.517 -10.066 443 HB2 GLU 59 2HB GLU 59 16.958 -2.075 -8.683 444 HB3 GLU 59 3HB GLU 59 17.362 -1.635 -10.337 445 HG2 GLU 59 2HG GLU 59 15.527 -3.344 -10.023 446 HG3 GLU 59 3HG GLU 59 16.811 -3.757 -11.157 447 H ALA 60 H ALA 60 19.004 -0.792 -7.783 448 HA ALA 60 HA ALA 60 20.052 1.206 -9.369 449 HB1 ALA 60 1HB ALA 60 21.016 2.052 -7.095 450 HB2 ALA 60 2HB ALA 60 19.271 1.964 -7.342 451 HB3 ALA 60 3HB ALA 60 20.097 0.702 -6.428 452 H ALA 61 H ALA 61 21.878 -0.938 -7.178 453 HA ALA 61 HA ALA 61 24.429 -0.020 -7.748 454 HB1 ALA 61 1HB ALA 61 25.251 -2.010 -6.787 455 HB2 ALA 61 2HB ALA 61 23.722 -1.682 -5.970 456 HB3 ALA 61 3HB ALA 61 23.803 -2.915 -7.229 457 H ALA 62 H ALA 62 22.542 -2.523 -9.408 458 HA ALA 62 HA ALA 62 24.504 -3.371 -11.209 459 HB1 ALA 62 1HB ALA 62 21.622 -3.247 -11.997 460 HB2 ALA 62 2HB ALA 62 22.821 -4.498 -12.329 461 HB3 ALA 62 3HB ALA 62 22.149 -4.329 -10.708 462 H ILE 63 H ILE 63 22.049 -0.823 -11.541 463 HA ILE 63 HA ILE 63 22.646 -0.078 -14.172 464 HB ILE 63 HB ILE 63 21.591 1.647 -11.928 465 HG12 ILE 63 2HG1 ILE 63 19.909 0.521 -14.127 466 HG13 ILE 63 3HG1 ILE 63 20.375 -0.536 -12.798 467 HG21 ILE 63 1HG2 ILE 63 21.809 3.345 -13.346 468 HG22 ILE 63 2HG2 ILE 63 22.324 2.271 -14.646 469 HG23 ILE 63 3HG2 ILE 63 20.606 2.560 -14.368 470 HD11 ILE 63 3HD1 ILE 63 18.694 1.939 -12.726 471 HD12 ILE 63 1HD1 ILE 63 18.296 0.309 -12.183 472 HD13 ILE 63 2HD1 ILE 63 19.446 1.286 -11.270 473 H ARG 64 H ARG 64 23.930 1.118 -11.089 474 HA ARG 64 HA ARG 64 25.533 3.170 -12.109 475 HB2 ARG 64 2HB ARG 64 25.028 2.910 -9.719 476 HB3 ARG 64 3HB ARG 64 26.004 1.448 -9.669 477 HG2 ARG 64 2HG ARG 64 27.874 3.060 -10.573 478 HG3 ARG 64 3HG ARG 64 26.849 4.291 -9.832 479 HD2 ARG 64 2HD ARG 64 28.545 3.532 -8.264 480 HD3 ARG 64 3HD ARG 64 26.936 3.075 -7.708 481 HE ARG 64 HE ARG 64 28.233 1.016 -9.224 482 HH11 ARG 64 1HH1 ARG 64 27.907 2.451 -6.069 483 HH12 ARG 64 2HH1 ARG 64 28.369 1.011 -5.223 484 HH21 ARG 64 1HH2 ARG 64 28.843 -0.886 -8.121 485 HH22 ARG 64 2HH2 ARG 64 28.902 -0.886 -6.391 486 H ASP 65 H ASP 65 26.315 -0.232 -11.450 487 HA ASP 65 HA ASP 65 29.016 -0.142 -12.166 488 HB2 ASP 65 2HB ASP 65 27.017 -2.405 -12.313 489 HB3 ASP 65 3HB ASP 65 28.745 -2.611 -12.585 490 H GLU 66 H GLU 66 26.137 -0.788 -14.131 491 HA GLU 66 HA GLU 66 27.446 -1.414 -16.526 492 HB2 GLU 66 2HB GLU 66 24.776 -0.030 -16.226 493 HB3 GLU 66 3HB GLU 66 25.336 -0.932 -17.627 494 HG2 GLU 66 2HG GLU 66 25.430 -2.507 -15.193 495 HG3 GLU 66 3HG GLU 66 23.811 -1.906 -15.550 496 H CYS 67 H CYS 67 26.213 1.703 -15.341 497 HA CYS 67 HA CYS 67 26.905 3.256 -17.549 498 HB2 CYS 67 2HB CYS 67 26.720 3.976 -14.620 499 HB3 CYS 67 3HB CYS 67 26.949 5.165 -15.897 500 HG CYS 67 HG CYS 67 24.212 4.763 -14.779 501 H GLN 68 H GLN 68 28.801 2.381 -14.693 502 HA GLN 68 HA GLN 68 31.063 3.959 -15.373 503 HB2 GLN 68 2HB GLN 68 30.770 1.571 -13.547 504 HB3 GLN 68 3HB GLN 68 32.240 2.525 -13.686 505 HG2 GLN 68 2HG GLN 68 30.828 4.530 -13.048 506 HG3 GLN 68 3HG GLN 68 29.571 3.373 -12.614 507 HE21 GLN 68 1HE2 GLN 68 30.340 1.591 -11.130 508 HE22 GLN 68 2HE2 GLN 68 31.373 2.062 -9.828 509 H ALA 69 H ALA 69 29.987 0.767 -16.241 510 HA ALA 69 HA ALA 69 32.541 -0.048 -17.314 511 HB1 ALA 69 1HB ALA 69 29.884 -1.279 -16.958 512 HB2 ALA 69 2HB ALA 69 30.837 -1.863 -18.322 513 HB3 ALA 69 3HB ALA 69 31.493 -1.948 -16.687 514 H TYR 70 H TYR 70 30.148 2.006 -18.351 515 HA TYR 70 HA TYR 70 30.546 1.384 -21.190 516 HB2 TYR 70 2HB TYR 70 28.561 3.228 -19.844 517 HB3 TYR 70 3HB TYR 70 28.666 2.951 -21.579 518 HD1 TYR 70 HD1 TYR 70 29.258 -0.076 -21.308 519 HD2 TYR 70 HD2 TYR 70 26.298 2.467 -19.610 520 HE1 TYR 70 HE1 TYR 70 27.738 -1.998 -21.095 521 HE2 TYR 70 HE2 TYR 70 24.771 0.552 -19.391 522 HH TYR 70 HH TYR 70 24.612 -1.841 -20.766 523 H ARG 71 H ARG 71 30.961 3.931 -18.796 524 HA ARG 71 HA ARG 71 32.765 5.301 -20.664 525 HB2 ARG 71 2HB ARG 71 30.386 6.354 -20.362 526 HB3 ARG 71 3HB ARG 71 31.031 6.906 -18.822 527 HG2 ARG 71 2HG ARG 71 32.165 8.549 -19.790 528 HG3 ARG 71 3HG ARG 71 32.856 7.459 -20.993 529 HD2 ARG 71 2HD ARG 71 30.349 7.617 -21.926 530 HD3 ARG 71 3HD ARG 71 30.463 9.192 -21.141 531 HE ARG 71 HE ARG 71 31.863 9.871 -22.811 532 HH11 ARG 71 1HH1 ARG 71 31.739 6.392 -22.796 533 HH12 ARG 71 2HH1 ARG 71 32.666 6.223 -24.250 534 HH21 ARG 71 1HH2 ARG 71 33.085 9.661 -24.726 535 HH22 ARG 71 2HH2 ARG 71 33.431 8.083 -25.347 536 H HIS 72 H HIS 72 33.575 3.535 -18.697 537 HA HIS 72 HA HIS 72 35.473 5.048 -17.291 538 HB2 HIS 72 2HB HIS 72 33.005 5.136 -16.030 539 HB3 HIS 72 3HB HIS 72 33.862 3.864 -15.165 540 HD1 HIS 72 HD1 HIS 72 34.452 5.046 -13.041 541 HD2 HIS 72 HD2 HIS 72 35.502 7.230 -16.416 542 HE1 HIS 72 HE1 HIS 72 35.782 7.003 -12.189 543 H ASN 73 H ASN 73 35.251 2.668 -18.907 544 HA ASN 73 HA ASN 73 36.686 0.838 -17.141 545 HB2 ASN 73 2HB ASN 73 34.543 -0.159 -17.037 546 HB3 ASN 73 3HB ASN 73 34.238 0.126 -18.748 547 HD21 ASN 73 1HD2 ASN 73 34.302 -1.640 -19.910 548 HD22 ASN 73 2HD2 ASN 73 35.314 -3.013 -19.634 Start of MODEL 2 1 H1 MET 1 H MET 1 3.179 -1.245 -6.113 2 HA MET 1 HA MET 1 1.531 0.790 -5.956 3 HB2 MET 1 2HB MET 1 0.568 -0.176 -3.803 4 HB3 MET 1 3HB MET 1 0.715 -1.276 -5.167 5 HG2 MET 1 2HG MET 1 2.278 -2.547 -4.154 6 HG3 MET 1 3HG MET 1 3.005 -1.180 -3.314 7 HE1 MET 1 3HE MET 1 0.518 -3.853 -3.554 8 HE2 MET 1 1HE MET 1 1.436 -4.494 -2.190 9 HE3 MET 1 2HE MET 1 -0.245 -4.007 -1.970 10 H GLY 2 H GLY 2 1.353 2.749 -5.061 11 HA2 GLY 2 2HA GLY 2 1.621 4.477 -3.546 12 HA3 GLY 2 3HA GLY 2 2.443 3.356 -2.470 13 H SER 3 H SER 3 4.343 4.224 -1.964 14 HA SER 3 HA SER 3 5.766 6.016 -3.635 15 HB2 SER 3 2HB SER 3 7.118 4.492 -1.436 16 HB3 SER 3 3HB SER 3 7.308 6.182 -1.903 17 HG SER 3 HG SER 3 5.845 6.652 -0.487 18 H TRP 4 H TRP 4 5.914 2.556 -3.124 19 HA TRP 4 HA TRP 4 8.398 2.075 -4.366 20 HB2 TRP 4 2HB TRP 4 7.521 0.322 -3.045 21 HB3 TRP 4 3HB TRP 4 5.973 0.354 -3.885 22 HD1 TRP 4 HD1 TRP 4 5.893 -0.783 -6.344 23 HE1 TRP 4 HE1 TRP 4 7.354 -2.624 -7.394 24 HE3 TRP 4 HE3 TRP 4 9.854 -0.615 -3.117 25 HZ2 TRP 4 HZ2 TRP 4 9.854 -3.844 -6.917 26 HZ3 TRP 4 HZ3 TRP 4 11.740 -2.153 -3.483 27 HH2 TRP 4 HH2 TRP 4 11.738 -3.733 -5.344 28 H ALA 5 H ALA 5 5.095 2.187 -5.628 29 HA ALA 5 HA ALA 5 5.490 1.260 -8.193 30 HB1 ALA 5 1HB ALA 5 3.723 3.614 -7.583 31 HB2 ALA 5 2HB ALA 5 3.497 2.359 -8.801 32 HB3 ALA 5 3HB ALA 5 3.318 1.969 -7.091 33 H GLU 6 H GLU 6 5.814 4.622 -7.056 34 HA GLU 6 HA GLU 6 6.569 5.761 -9.485 35 HB2 GLU 6 2HB GLU 6 7.018 6.502 -6.619 36 HB3 GLU 6 3HB GLU 6 7.824 7.417 -7.885 37 HG2 GLU 6 2HG GLU 6 5.304 7.408 -8.833 38 HG3 GLU 6 3HG GLU 6 4.992 7.357 -7.099 39 H PHE 7 H PHE 7 8.650 4.593 -6.839 40 HA PHE 7 HA PHE 7 11.103 5.078 -8.076 41 HB2 PHE 7 2HB PHE 7 10.146 3.411 -5.833 42 HB3 PHE 7 3HB PHE 7 11.666 2.898 -6.558 43 HD1 PHE 7 HD1 PHE 7 9.985 5.968 -5.277 44 HD2 PHE 7 HD2 PHE 7 13.627 3.826 -5.794 45 HE1 PHE 7 HE1 PHE 7 11.177 7.687 -3.981 46 HE2 PHE 7 HE2 PHE 7 14.824 5.540 -4.498 47 HZ PHE 7 HZ PHE 7 13.599 7.474 -3.589 48 H LYS 8 H LYS 8 8.896 2.359 -8.340 49 HA LYS 8 HA LYS 8 10.644 0.626 -9.741 50 HB2 LYS 8 2HB LYS 8 7.907 0.618 -8.865 51 HB3 LYS 8 3HB LYS 8 7.989 0.074 -10.535 52 HG2 LYS 8 2HG LYS 8 9.506 -1.083 -8.206 53 HG3 LYS 8 3HG LYS 8 8.120 -1.807 -9.024 54 HD2 LYS 8 2HD LYS 8 10.077 -1.170 -10.985 55 HD3 LYS 8 3HD LYS 8 10.878 -2.033 -9.670 56 HE2 LYS 8 2HE LYS 8 8.897 -3.677 -9.848 57 HE3 LYS 8 3HE LYS 8 8.617 -2.934 -11.422 58 HZ1 LYS 8 3HZ LYS 8 11.089 -3.439 -11.805 59 HZ2 LYS 8 1HZ LYS 8 9.985 -4.717 -11.903 60 HZ3 LYS 8 2HZ LYS 8 10.930 -4.520 -10.514 61 H GLN 9 H GLN 9 8.280 3.036 -10.787 62 HA GLN 9 HA GLN 9 8.423 2.473 -13.547 63 HB2 GLN 9 2HB GLN 9 6.813 4.021 -12.073 64 HB3 GLN 9 3HB GLN 9 7.907 5.263 -12.665 65 HG2 GLN 9 2HG GLN 9 7.448 4.446 -14.981 66 HG3 GLN 9 3HG GLN 9 6.206 3.398 -14.297 67 HE21 GLN 9 1HE2 GLN 9 4.853 4.806 -12.582 68 HE22 GLN 9 2HE2 GLN 9 4.180 6.238 -13.276 69 H ARG 10 H ARG 10 9.902 5.152 -11.708 70 HA ARG 10 HA ARG 10 11.467 6.167 -13.770 71 HB2 ARG 10 2HB ARG 10 11.769 6.210 -10.779 72 HB3 ARG 10 3HB ARG 10 12.965 6.966 -11.823 73 HG2 ARG 10 2HG ARG 10 11.571 8.725 -11.300 74 HG3 ARG 10 3HG ARG 10 10.936 8.191 -12.857 75 HD2 ARG 10 2HD ARG 10 9.174 6.956 -11.757 76 HD3 ARG 10 3HD ARG 10 9.848 7.346 -10.175 77 HE ARG 10 HE ARG 10 8.176 9.009 -11.790 78 HH11 ARG 10 1HH1 ARG 10 10.710 9.028 -9.403 79 HH12 ARG 10 2HH1 ARG 10 10.301 10.596 -8.791 80 HH21 ARG 10 1HH2 ARG 10 7.628 11.075 -10.993 81 HH22 ARG 10 2HH2 ARG 10 8.547 11.760 -9.696 82 H LEU 11 H LEU 11 12.237 3.676 -11.369 83 HA LEU 11 HA LEU 11 14.919 3.288 -12.131 84 HB2 LEU 11 2HB LEU 11 14.121 2.472 -10.022 85 HB3 LEU 11 3HB LEU 11 12.934 1.441 -10.818 86 HG LEU 11 HG LEU 11 15.800 0.959 -11.429 87 HD11 LEU 11 1HD1 LEU 11 15.387 -0.665 -9.269 88 HD12 LEU 11 2HD1 LEU 11 14.672 0.857 -8.739 89 HD13 LEU 11 3HD1 LEU 11 16.353 0.811 -9.270 90 HD21 LEU 11 3HD2 LEU 11 14.019 -1.243 -10.711 91 HD22 LEU 11 1HD2 LEU 11 15.034 -1.020 -12.136 92 HD23 LEU 11 2HD2 LEU 11 13.439 -0.269 -12.063 93 H ALA 12 H ALA 12 11.905 1.847 -13.257 94 HA ALA 12 HA ALA 12 13.035 -0.169 -14.868 95 HB1 ALA 12 1HB ALA 12 10.755 -0.394 -14.355 96 HB2 ALA 12 2HB ALA 12 10.379 1.233 -14.923 97 HB3 ALA 12 3HB ALA 12 10.800 -0.029 -16.081 98 H ALA 13 H ALA 13 12.024 3.152 -15.613 99 HA ALA 13 HA ALA 13 12.616 3.046 -18.371 100 HB1 ALA 13 1HB ALA 13 11.435 4.923 -18.160 101 HB2 ALA 13 2HB ALA 13 11.815 5.060 -16.443 102 HB3 ALA 13 3HB ALA 13 12.936 5.694 -17.647 103 H ILE 14 H ILE 14 14.522 4.029 -15.558 104 HA ILE 14 HA ILE 14 16.759 4.985 -16.993 105 HB ILE 14 HB ILE 14 16.616 3.870 -14.190 106 HG12 ILE 14 2HG1 ILE 14 16.877 6.774 -14.852 107 HG13 ILE 14 3HG1 ILE 14 15.295 6.015 -14.995 108 HG21 ILE 14 1HG2 ILE 14 18.857 4.725 -15.806 109 HG22 ILE 14 2HG2 ILE 14 18.702 5.693 -14.341 110 HG23 ILE 14 3HG2 ILE 14 18.840 3.939 -14.228 111 HD11 ILE 14 3HD1 ILE 14 15.120 6.657 -12.851 112 HD12 ILE 14 1HD1 ILE 14 15.994 5.154 -12.555 113 HD13 ILE 14 2HD1 ILE 14 16.866 6.687 -12.603 114 H LYS 15 H LYS 15 15.903 1.803 -15.734 115 HA LYS 15 HA LYS 15 18.395 0.567 -16.287 116 HB2 LYS 15 2HB LYS 15 15.981 -0.170 -15.064 117 HB3 LYS 15 3HB LYS 15 16.169 -1.274 -16.420 118 HG2 LYS 15 2HG LYS 15 18.676 -1.256 -15.304 119 HG3 LYS 15 3HG LYS 15 17.613 -1.144 -13.898 120 HD2 LYS 15 2HD LYS 15 16.318 -3.061 -15.194 121 HD3 LYS 15 3HD LYS 15 17.917 -3.330 -15.891 122 HE2 LYS 15 2HE LYS 15 17.982 -2.955 -13.004 123 HE3 LYS 15 3HE LYS 15 16.997 -4.333 -13.494 124 HZ1 LYS 15 3HZ LYS 15 19.761 -4.211 -13.314 125 HZ2 LYS 15 1HZ LYS 15 19.404 -4.308 -14.965 126 HZ3 LYS 15 2HZ LYS 15 18.823 -5.489 -13.903 127 H THR 16 H THR 16 15.361 0.823 -18.091 128 HA THR 16 HA THR 16 16.064 -0.856 -20.231 129 HB THR 16 HB THR 16 14.261 1.552 -20.465 130 HG1 THR 16 HG1 THR 16 13.145 0.597 -18.936 131 HG21 THR 16 3HG2 THR 16 14.960 -0.621 -22.194 132 HG22 THR 16 1HG2 THR 16 13.886 0.742 -22.506 133 HG23 THR 16 2HG2 THR 16 13.251 -0.732 -21.777 134 H ARG 17 H ARG 17 16.198 2.700 -19.987 135 HA ARG 17 HA ARG 17 17.426 3.100 -22.492 136 HB2 ARG 17 2HB ARG 17 16.850 4.724 -20.101 137 HB3 ARG 17 3HB ARG 17 18.222 5.271 -21.056 138 HG2 ARG 17 2HG ARG 17 16.807 6.291 -22.414 139 HG3 ARG 17 3HG ARG 17 16.179 4.712 -22.891 140 HD2 ARG 17 2HD ARG 17 14.229 5.493 -22.099 141 HD3 ARG 17 3HD ARG 17 14.908 5.097 -20.521 142 HE ARG 17 HE ARG 17 15.753 7.659 -21.100 143 HH11 ARG 17 1HH1 ARG 17 12.714 6.013 -20.681 144 HH12 ARG 17 2HH1 ARG 17 11.888 7.415 -20.087 145 HH21 ARG 17 1HH2 ARG 17 14.676 9.512 -20.320 146 HH22 ARG 17 2HH2 ARG 17 13.004 9.405 -19.883 147 H CYS 18 H CYS 18 18.704 2.428 -19.303 148 HA CYS 18 HA CYS 18 21.409 3.077 -19.885 149 HB2 CYS 18 2HB CYS 18 20.812 3.023 -17.594 150 HB3 CYS 18 3HB CYS 18 20.095 1.422 -17.737 151 HG CYS 18 HG CYS 18 23.448 2.057 -17.995 152 H GLN 19 H GLN 19 19.479 0.151 -20.153 153 HA GLN 19 HA GLN 19 21.679 -1.574 -20.730 154 HB2 GLN 19 2HB GLN 19 18.712 -1.895 -21.200 155 HB3 GLN 19 3HB GLN 19 19.898 -3.166 -21.464 156 HG2 GLN 19 2HG GLN 19 20.120 -1.997 -18.822 157 HG3 GLN 19 3HG GLN 19 18.515 -2.659 -19.132 158 HE21 GLN 19 1HE2 GLN 19 21.791 -3.641 -20.079 159 HE22 GLN 19 2HE2 GLN 19 21.672 -5.250 -19.462 160 H ALA 20 H ALA 20 19.270 0.118 -22.701 161 HA ALA 20 HA ALA 20 20.295 -0.901 -25.178 162 HB1 ALA 20 1HB ALA 20 18.177 -0.340 -25.639 163 HB2 ALA 20 2HB ALA 20 18.101 0.836 -24.326 164 HB3 ALA 20 3HB ALA 20 18.819 1.286 -25.873 165 H LEU 21 H LEU 21 20.933 1.849 -23.156 166 HA LEU 21 HA LEU 21 22.343 3.630 -23.340 167 HB2 LEU 21 2HB LEU 21 23.781 1.532 -24.942 168 HB3 LEU 21 3HB LEU 21 24.483 3.114 -24.608 169 HG LEU 21 HG LEU 21 23.724 1.030 -22.562 170 HD11 LEU 21 1HD1 LEU 21 25.734 0.191 -22.982 171 HD12 LEU 21 2HD1 LEU 21 26.427 1.699 -22.387 172 HD13 LEU 21 3HD1 LEU 21 26.106 1.496 -24.109 173 HD21 LEU 21 3HD2 LEU 21 24.423 3.891 -22.357 174 HD22 LEU 21 1HD2 LEU 21 25.226 2.804 -21.224 175 HD23 LEU 21 2HD2 LEU 21 23.465 2.873 -21.281 176 H GLY 22 H GLY 22 20.174 3.404 -25.314 177 HA2 GLY 22 2HA GLY 22 21.320 4.548 -27.740 178 HA3 GLY 22 3HA GLY 22 19.634 4.123 -27.485 179 H GLY 23 H GLY 23 20.134 5.674 -24.777 180 HA2 GLY 23 2HA GLY 23 18.714 7.962 -25.395 181 HA3 GLY 23 3HA GLY 23 19.770 7.804 -23.999 182 H SER 24 H SER 24 22.088 8.248 -24.356 183 HA SER 24 HA SER 24 23.033 9.566 -26.658 184 HB2 SER 24 2HB SER 24 21.365 11.272 -25.745 185 HB3 SER 24 3HB SER 24 22.476 11.482 -24.392 186 HG SER 24 HG SER 24 22.889 12.999 -26.033 187 H GLU 25 H GLU 25 25.223 10.065 -26.522 188 HA GLU 25 HA GLU 25 26.792 8.590 -24.805 189 HB2 GLU 25 2HB GLU 25 28.636 10.245 -25.451 190 HB3 GLU 25 3HB GLU 25 27.833 9.382 -26.755 191 HG2 GLU 25 2HG GLU 25 27.163 11.270 -27.695 192 HG3 GLU 25 3HG GLU 25 26.478 11.856 -26.180 193 H ALA 26 H ALA 26 25.622 11.889 -24.430 194 HA ALA 26 HA ALA 26 27.101 12.281 -21.969 195 HB1 ALA 26 1HB ALA 26 26.356 14.495 -22.010 196 HB2 ALA 26 2HB ALA 26 26.575 14.082 -23.711 197 HB3 ALA 26 3HB ALA 26 24.957 14.102 -23.010 198 H GLU 27 H GLU 27 23.802 11.600 -22.985 199 HA GLU 27 HA GLU 27 22.406 12.065 -20.653 200 HB2 GLU 27 2HB GLU 27 22.071 10.176 -22.929 201 HB3 GLU 27 3HB GLU 27 21.089 9.907 -21.496 202 HG2 GLU 27 2HG GLU 27 21.211 12.606 -22.775 203 HG3 GLU 27 3HG GLU 27 20.152 11.350 -23.412 204 H CYS 28 H CYS 28 24.490 9.365 -21.475 205 HA CYS 28 HA CYS 28 23.817 7.527 -19.534 206 HB2 CYS 28 2HB CYS 28 26.637 8.174 -20.416 207 HB3 CYS 28 3HB CYS 28 26.067 6.651 -19.746 208 HG CYS 28 HG CYS 28 26.057 7.703 -22.881 209 H ALA 29 H ALA 29 26.019 10.294 -19.251 210 HA ALA 29 HA ALA 29 26.950 9.866 -16.674 211 HB1 ALA 29 1HB ALA 29 26.371 12.500 -18.025 212 HB2 ALA 29 2HB ALA 29 27.375 12.281 -16.591 213 HB3 ALA 29 3HB ALA 29 27.871 11.578 -18.130 214 H ALA 30 H ALA 30 24.160 11.863 -17.656 215 HA ALA 30 HA ALA 30 23.281 12.575 -15.123 216 HB1 ALA 30 1HB ALA 30 21.044 12.112 -16.877 217 HB2 ALA 30 2HB ALA 30 21.709 13.634 -16.282 218 HB3 ALA 30 3HB ALA 30 22.369 12.894 -17.741 219 H PHE 31 H PHE 31 22.714 9.630 -16.960 220 HA PHE 31 HA PHE 31 20.680 8.547 -15.344 221 HB2 PHE 31 2HB PHE 31 22.460 7.598 -17.470 222 HB3 PHE 31 3HB PHE 31 22.024 6.348 -16.310 223 HD1 PHE 31 HD1 PHE 31 19.908 9.196 -17.341 224 HD2 PHE 31 HD2 PHE 31 20.626 5.012 -17.645 225 HE1 PHE 31 HE1 PHE 31 17.741 8.910 -18.471 226 HE2 PHE 31 HE2 PHE 31 18.461 4.719 -18.776 227 HZ PHE 31 HZ PHE 31 17.016 6.669 -19.191 228 H GLU 32 H GLU 32 24.200 8.015 -15.311 229 HA GLU 32 HA GLU 32 24.304 6.220 -13.189 230 HB2 GLU 32 2HB GLU 32 26.171 7.040 -14.791 231 HB3 GLU 32 3HB GLU 32 26.423 8.308 -13.599 232 HG2 GLU 32 2HG GLU 32 26.295 5.647 -12.427 233 HG3 GLU 32 3HG GLU 32 27.601 5.835 -13.596 234 H LYS 33 H LYS 33 24.507 9.765 -13.139 235 HA LYS 33 HA LYS 33 24.894 10.087 -10.391 236 HB2 LYS 33 2HB LYS 33 24.006 11.783 -12.633 237 HB3 LYS 33 3HB LYS 33 23.455 12.306 -11.047 238 HG2 LYS 33 2HG LYS 33 25.497 12.977 -10.420 239 HG3 LYS 33 3HG LYS 33 26.294 11.594 -11.172 240 HD2 LYS 33 2HD LYS 33 26.466 12.641 -13.224 241 HD3 LYS 33 3HD LYS 33 25.118 13.733 -12.895 242 HE2 LYS 33 2HE LYS 33 26.447 15.043 -11.411 243 HE3 LYS 33 3HE LYS 33 27.753 13.860 -11.441 244 HZ1 LYS 33 3HZ LYS 33 28.619 14.900 -13.174 245 HZ2 LYS 33 1HZ LYS 33 27.382 16.054 -13.124 246 HZ3 LYS 33 2HZ LYS 33 27.204 14.664 -14.071 247 H GLU 34 H GLU 34 21.861 10.132 -12.259 248 HA GLU 34 HA GLU 34 20.085 10.572 -10.186 249 HB2 GLU 34 2HB GLU 34 19.916 9.854 -12.898 250 HB3 GLU 34 3HB GLU 34 19.001 8.632 -12.027 251 HG2 GLU 34 2HG GLU 34 18.491 11.419 -11.233 252 HG3 GLU 34 3HG GLU 34 17.976 10.970 -12.858 253 H ILE 35 H ILE 35 21.328 7.466 -11.386 254 HA ILE 35 HA ILE 35 19.894 5.797 -9.663 255 HB ILE 35 HB ILE 35 22.623 5.387 -10.888 256 HG12 ILE 35 2HG1 ILE 35 20.735 5.698 -12.474 257 HG13 ILE 35 3HG1 ILE 35 21.443 4.089 -12.564 258 HG21 ILE 35 1HG2 ILE 35 22.706 3.767 -9.295 259 HG22 ILE 35 2HG2 ILE 35 20.953 3.664 -9.150 260 HG23 ILE 35 3HG2 ILE 35 21.770 2.899 -10.512 261 HD11 ILE 35 3HD1 ILE 35 19.487 3.155 -12.143 262 HD12 ILE 35 1HD1 ILE 35 19.291 4.110 -10.674 263 HD13 ILE 35 2HD1 ILE 35 18.755 4.757 -12.225 264 H ALA 36 H ALA 36 23.088 7.294 -9.272 265 HA ALA 36 HA ALA 36 23.827 6.127 -6.861 266 HB1 ALA 36 1HB ALA 36 25.523 7.653 -6.790 267 HB2 ALA 36 2HB ALA 36 25.060 7.805 -8.485 268 HB3 ALA 36 3HB ALA 36 24.494 8.989 -7.307 269 H ALA 37 H ALA 37 21.993 9.123 -7.416 270 HA ALA 37 HA ALA 37 21.647 9.761 -4.684 271 HB1 ALA 37 1HB ALA 37 19.836 11.258 -5.507 272 HB2 ALA 37 2HB ALA 37 21.376 11.468 -6.342 273 HB3 ALA 37 3HB ALA 37 20.066 10.576 -7.117 274 H PHE 38 H PHE 38 19.800 7.801 -6.943 275 HA PHE 38 HA PHE 38 17.447 7.518 -5.452 276 HB2 PHE 38 2HB PHE 38 18.626 6.317 -7.790 277 HB3 PHE 38 3HB PHE 38 17.888 5.073 -6.785 278 HD1 PHE 38 HD2 PHE 38 17.086 8.510 -8.006 279 HD2 PHE 38 HD1 PHE 38 15.705 4.560 -7.230 280 HE1 PHE 38 HE2 PHE 38 14.872 9.114 -8.893 281 HE2 PHE 38 HE1 PHE 38 13.488 5.157 -8.117 282 HZ PHE 38 HZ PHE 38 13.069 7.437 -8.949 283 H GLU 39 H GLU 39 20.268 5.342 -5.618 284 HA GLU 39 HA GLU 39 19.374 3.575 -3.616 285 HB2 GLU 39 2HB GLU 39 21.749 2.834 -3.521 286 HB3 GLU 39 3HB GLU 39 21.092 2.882 -5.151 287 HG2 GLU 39 2HG GLU 39 22.197 5.048 -5.510 288 HG3 GLU 39 3HG GLU 39 22.897 4.937 -3.896 289 H SER 40 H SER 40 21.380 6.476 -3.491 290 HA SER 40 HA SER 40 22.114 6.244 -0.768 291 HB2 SER 40 2HB SER 40 23.222 7.713 -2.513 292 HB3 SER 40 3HB SER 40 21.866 8.825 -2.322 293 HG SER 40 HG SER 40 23.938 8.211 -0.553 294 H GLU 41 H GLU 41 19.294 7.483 -2.387 295 HA GLU 41 HA GLU 41 18.285 8.862 -0.062 296 HB2 GLU 41 2HB GLU 41 17.264 8.333 -2.827 297 HB3 GLU 41 3HB GLU 41 16.148 8.869 -1.579 298 HG2 GLU 41 2HG GLU 41 17.301 10.908 -1.285 299 HG3 GLU 41 3HG GLU 41 18.675 10.348 -2.237 300 H LEU 42 H LEU 42 17.869 5.750 -1.607 301 HA LEU 42 HA LEU 42 15.589 4.991 -0.040 302 HB2 LEU 42 2HB LEU 42 17.473 3.441 -1.802 303 HB3 LEU 42 3HB LEU 42 16.117 2.700 -0.955 304 HG LEU 42 HG LEU 42 15.500 5.019 -2.692 305 HD11 LEU 42 1HD1 LEU 42 15.335 2.933 -4.458 306 HD12 LEU 42 2HD1 LEU 42 16.876 2.633 -3.654 307 HD13 LEU 42 3HD1 LEU 42 16.584 4.178 -4.454 308 HD21 LEU 42 3HD2 LEU 42 14.211 2.569 -1.665 309 HD22 LEU 42 1HD2 LEU 42 13.727 3.094 -3.277 310 HD23 LEU 42 2HD2 LEU 42 13.552 4.187 -1.904 311 H GLN 43 H GLN 43 19.055 4.690 0.238 312 HA GLN 43 HA GLN 43 19.009 2.726 2.318 313 HB2 GLN 43 2HB GLN 43 21.346 2.970 2.410 314 HB3 GLN 43 3HB GLN 43 20.937 3.236 0.720 315 HG2 GLN 43 2HG GLN 43 22.148 5.088 0.858 316 HG3 GLN 43 3HG GLN 43 20.821 5.764 1.801 317 HE21 GLN 43 1HE2 GLN 43 23.669 3.691 2.237 318 HE22 GLN 43 2HE2 GLN 43 24.155 4.386 3.742 319 H ALA 44 H ALA 44 18.573 6.121 2.185 320 HA ALA 44 HA ALA 44 19.341 6.645 4.911 321 HB1 ALA 44 1HB ALA 44 19.251 8.253 2.825 322 HB2 ALA 44 2HB ALA 44 17.602 8.521 3.394 323 HB3 ALA 44 3HB ALA 44 18.968 8.854 4.459 324 H TYR 45 H TYR 45 16.549 5.484 3.313 325 HA TYR 45 HA TYR 45 14.448 6.403 4.839 326 HB2 TYR 45 2HB TYR 45 14.975 3.876 3.350 327 HB3 TYR 45 3HB TYR 45 13.584 3.919 4.429 328 HD1 TYR 45 HD1 TYR 45 14.934 6.701 2.370 329 HD2 TYR 45 HD2 TYR 45 11.786 3.892 2.921 330 HE1 TYR 45 HE1 TYR 45 13.623 7.836 0.625 331 HE2 TYR 45 HE2 TYR 45 10.467 5.019 1.178 332 HH TYR 45 HH TYR 45 10.688 7.812 0.222 333 H LYS 46 H LYS 46 16.468 3.542 5.477 334 HA LYS 46 HA LYS 46 16.887 2.361 7.376 335 HB2 LYS 46 2HB LYS 46 16.173 5.011 8.643 336 HB3 LYS 46 3HB LYS 46 16.868 3.653 9.519 337 HG2 LYS 46 2HG LYS 46 18.715 3.823 7.654 338 HG3 LYS 46 3HG LYS 46 18.123 5.482 7.542 339 HD2 LYS 46 2HD LYS 46 19.278 6.034 9.359 340 HD3 LYS 46 3HD LYS 46 18.424 4.805 10.295 341 HE2 LYS 46 2HE LYS 46 20.528 3.995 10.541 342 HE3 LYS 46 3HE LYS 46 20.142 3.223 9.004 343 HZ1 LYS 46 3HZ LYS 46 22.308 4.740 9.434 344 HZ2 LYS 46 1HZ LYS 46 21.248 5.884 8.778 345 HZ3 LYS 46 2HZ LYS 46 21.618 4.480 7.911 346 H GLY 47 H GLY 47 14.339 2.024 6.260 347 HA2 GLY 47 2HA GLY 47 12.347 2.139 8.338 348 HA3 GLY 47 3HA GLY 47 12.164 1.399 6.755 349 H LYS 48 H LYS 48 14.193 0.842 9.637 350 HA LYS 48 HA LYS 48 14.697 -1.053 10.790 351 HB2 LYS 48 2HB LYS 48 11.922 -1.756 9.834 352 HB3 LYS 48 3HB LYS 48 12.840 -2.774 10.936 353 HG2 LYS 48 2HG LYS 48 12.947 -0.921 12.539 354 HG3 LYS 48 3HG LYS 48 11.986 0.070 11.439 355 HD2 LYS 48 2HD LYS 48 10.264 -0.716 12.671 356 HD3 LYS 48 3HD LYS 48 10.416 -2.116 11.606 357 HE2 LYS 48 2HE LYS 48 10.718 -3.356 13.428 358 HE3 LYS 48 3HE LYS 48 12.274 -2.554 13.632 359 HZ1 LYS 48 3HZ LYS 48 9.866 -2.276 15.163 360 HZ2 LYS 48 1HZ LYS 48 10.504 -0.785 14.683 361 HZ3 LYS 48 2HZ LYS 48 11.456 -1.866 15.569 362 H GLY 49 H GLY 49 15.585 -0.852 8.060 363 HA2 GLY 49 2HA GLY 49 16.559 -2.134 6.422 364 HA3 GLY 49 3HA GLY 49 16.698 -3.362 7.671 365 H ASN 50 H ASN 50 13.826 -1.977 6.101 366 HA ASN 50 HA ASN 50 12.575 -4.508 5.843 367 HB2 ASN 50 2HB ASN 50 11.949 -1.719 5.157 368 HB3 ASN 50 3HB ASN 50 11.239 -2.905 4.065 369 HD21 ASN 50 1HD2 ASN 50 11.893 -3.088 7.534 370 HD22 ASN 50 2HD2 ASN 50 10.252 -3.351 8.007 371 HA PRO 51 HA PRO 51 14.037 -6.050 2.005 372 HB2 PRO 51 2HB PRO 51 11.784 -7.076 0.890 373 HB3 PRO 51 3HB PRO 51 12.595 -7.819 2.274 374 HG2 PRO 51 2HG PRO 51 10.190 -6.036 2.220 375 HG3 PRO 51 3HG PRO 51 10.470 -7.509 3.167 376 HD2 PRO 51 2HD PRO 51 10.742 -5.028 4.218 377 HD3 PRO 51 3HD PRO 51 11.731 -6.403 4.749 378 H GLU 52 H GLU 52 11.413 -3.755 1.964 379 HA GLU 52 HA GLU 52 11.108 -3.340 -0.771 380 HB2 GLU 52 2HB GLU 52 10.436 -0.985 -0.080 381 HB3 GLU 52 3HB GLU 52 9.540 -2.306 0.658 382 HG2 GLU 52 2HG GLU 52 10.252 -1.809 2.719 383 HG3 GLU 52 3HG GLU 52 11.888 -1.439 2.176 384 H VAL 53 H VAL 53 13.543 -2.141 1.456 385 HA VAL 53 HA VAL 53 14.727 -0.395 -0.530 386 HB VAL 53 HB VAL 53 15.857 -1.159 2.163 387 HG11 VAL 53 1HG1 VAL 53 17.520 -0.152 0.796 388 HG12 VAL 53 2HG1 VAL 53 16.404 1.099 0.248 389 HG13 VAL 53 3HG1 VAL 53 16.962 1.085 1.921 390 HG21 VAL 53 3HG2 VAL 53 14.867 1.091 2.845 391 HG22 VAL 53 1HG2 VAL 53 13.864 0.956 1.401 392 HG23 VAL 53 2HG2 VAL 53 13.747 -0.260 2.673 393 H GLU 54 H GLU 54 15.043 -3.650 0.515 394 HA GLU 54 HA GLU 54 17.750 -4.097 -0.179 395 HB2 GLU 54 2HB GLU 54 15.420 -6.017 -0.047 396 HB3 GLU 54 3HB GLU 54 17.102 -6.499 -0.219 397 HG2 GLU 54 2HG GLU 54 16.040 -4.907 2.100 398 HG3 GLU 54 3HG GLU 54 16.200 -6.662 2.094 399 H ALA 55 H ALA 55 14.721 -4.678 -1.951 400 HA ALA 55 HA ALA 55 15.937 -5.651 -4.304 401 HB1 ALA 55 1HB ALA 55 13.232 -4.479 -3.734 402 HB2 ALA 55 2HB ALA 55 13.705 -5.001 -5.351 403 HB3 ALA 55 3HB ALA 55 13.666 -6.164 -4.026 404 H LEU 56 H LEU 56 14.752 -2.415 -3.426 405 HA LEU 56 HA LEU 56 15.358 -1.158 -5.860 406 HB2 LEU 56 2HB LEU 56 15.076 -0.135 -3.051 407 HB3 LEU 56 3HB LEU 56 15.441 0.938 -4.402 408 HG LEU 56 HG LEU 56 13.058 -0.820 -4.644 409 HD11 LEU 56 1HD1 LEU 56 12.227 1.602 -3.434 410 HD12 LEU 56 2HD1 LEU 56 13.437 0.861 -2.387 411 HD13 LEU 56 3HD1 LEU 56 12.002 -0.050 -2.857 412 HD21 LEU 56 3HD2 LEU 56 12.917 2.038 -5.256 413 HD22 LEU 56 1HD2 LEU 56 12.475 0.641 -6.238 414 HD23 LEU 56 2HD2 LEU 56 14.157 1.165 -6.158 415 H ARG 57 H ARG 57 17.282 -1.659 -2.940 416 HA ARG 57 HA ARG 57 19.488 -0.076 -3.720 417 HB2 ARG 57 2HB ARG 57 19.060 -2.256 -1.713 418 HB3 ARG 57 3HB ARG 57 20.696 -1.711 -2.059 419 HG2 ARG 57 2HG ARG 57 18.439 0.060 -1.143 420 HG3 ARG 57 3HG ARG 57 19.712 -0.591 -0.109 421 HD2 ARG 57 2HD ARG 57 20.003 1.348 -2.394 422 HD3 ARG 57 3HD ARG 57 20.317 1.643 -0.684 423 HE ARG 57 HE ARG 57 22.077 0.392 -2.579 424 HH11 ARG 57 1HH1 ARG 57 21.243 0.690 0.788 425 HH12 ARG 57 2HH1 ARG 57 22.818 0.239 1.353 426 HH21 ARG 57 1HH2 ARG 57 24.154 -0.204 -1.848 427 HH22 ARG 57 2HH2 ARG 57 24.473 -0.268 -0.148 428 H LYS 58 H LYS 58 18.762 -3.520 -4.100 429 HA LYS 58 HA LYS 58 21.224 -4.289 -5.217 430 HB2 LYS 58 2HB LYS 58 19.075 -5.655 -4.406 431 HB3 LYS 58 3HB LYS 58 18.736 -5.641 -6.131 432 HG2 LYS 58 2HG LYS 58 19.921 -7.576 -5.978 433 HG3 LYS 58 3HG LYS 58 21.239 -6.444 -6.287 434 HD2 LYS 58 2HD LYS 58 21.725 -6.323 -3.911 435 HD3 LYS 58 3HD LYS 58 20.358 -7.381 -3.556 436 HE2 LYS 58 2HE LYS 58 21.975 -8.674 -5.492 437 HE3 LYS 58 3HE LYS 58 23.038 -8.084 -4.215 438 HZ1 LYS 58 3HZ LYS 58 20.822 -9.200 -2.972 439 HZ2 LYS 58 1HZ LYS 58 22.403 -9.801 -2.997 440 HZ3 LYS 58 2HZ LYS 58 21.292 -10.295 -4.172 441 H GLU 59 H GLU 59 18.128 -3.662 -6.883 442 HA GLU 59 HA GLU 59 19.068 -3.816 -9.485 443 HB2 GLU 59 2HB GLU 59 16.878 -2.025 -8.418 444 HB3 GLU 59 3HB GLU 59 17.116 -2.448 -10.108 445 HG2 GLU 59 2HG GLU 59 16.948 -4.794 -8.421 446 HG3 GLU 59 3HG GLU 59 15.521 -3.769 -8.280 447 H ALA 60 H ALA 60 18.682 -0.887 -7.491 448 HA ALA 60 HA ALA 60 19.644 0.994 -9.258 449 HB1 ALA 60 1HB ALA 60 18.648 1.488 -7.049 450 HB2 ALA 60 2HB ALA 60 20.154 0.975 -6.287 451 HB3 ALA 60 3HB ALA 60 20.139 2.381 -7.351 452 H ALA 61 H ALA 61 21.540 -0.859 -6.877 453 HA ALA 61 HA ALA 61 24.048 0.172 -7.459 454 HB1 ALA 61 1HB ALA 61 23.339 -2.628 -6.593 455 HB2 ALA 61 2HB ALA 61 24.950 -1.913 -6.520 456 HB3 ALA 61 3HB ALA 61 23.645 -1.249 -5.536 457 H ALA 62 H ALA 62 22.357 -2.563 -8.957 458 HA ALA 62 HA ALA 62 24.403 -3.420 -10.652 459 HB1 ALA 62 1HB ALA 62 22.795 -4.968 -10.805 460 HB2 ALA 62 2HB ALA 62 21.513 -3.808 -10.451 461 HB3 ALA 62 3HB ALA 62 22.143 -3.952 -12.092 462 H ILE 63 H ILE 63 21.796 -1.075 -11.244 463 HA ILE 63 HA ILE 63 22.430 -0.486 -13.904 464 HB ILE 63 HB ILE 63 21.231 1.389 -11.862 465 HG12 ILE 63 2HG1 ILE 63 19.777 -0.381 -13.830 466 HG13 ILE 63 3HG1 ILE 63 20.089 -0.858 -12.164 467 HG21 ILE 63 1HG2 ILE 63 20.186 2.431 -13.868 468 HG22 ILE 63 2HG2 ILE 63 21.939 2.602 -13.801 469 HG23 ILE 63 3HG2 ILE 63 21.210 1.408 -14.874 470 HD11 ILE 63 3HD1 ILE 63 17.923 -0.026 -12.126 471 HD12 ILE 63 1HD1 ILE 63 18.898 1.314 -11.526 472 HD13 ILE 63 2HD1 ILE 63 18.319 1.322 -13.192 473 H ARG 64 H ARG 64 23.541 1.009 -10.887 474 HA ARG 64 HA ARG 64 25.030 3.092 -12.008 475 HB2 ARG 64 2HB ARG 64 24.578 3.132 -9.666 476 HB3 ARG 64 3HB ARG 64 25.348 1.570 -9.424 477 HG2 ARG 64 2HG ARG 64 27.175 3.484 -10.588 478 HG3 ARG 64 3HG ARG 64 26.495 4.064 -9.066 479 HD2 ARG 64 2HD ARG 64 27.624 1.296 -9.354 480 HD3 ARG 64 3HD ARG 64 28.642 2.680 -8.957 481 HE ARG 64 HE ARG 64 26.812 1.327 -7.216 482 HH11 ARG 64 1HH1 ARG 64 28.391 4.359 -7.876 483 HH12 ARG 64 2HH1 ARG 64 28.283 4.921 -6.241 484 HH21 ARG 64 1HH2 ARG 64 26.663 2.056 -5.060 485 HH22 ARG 64 2HH2 ARG 64 27.301 3.610 -4.640 486 H ASP 65 H ASP 65 26.022 -0.198 -11.107 487 HA ASP 65 HA ASP 65 28.728 0.030 -11.772 488 HB2 ASP 65 2HB ASP 65 26.996 -2.442 -11.985 489 HB3 ASP 65 3HB ASP 65 28.752 -2.405 -11.853 490 H GLU 66 H GLU 66 25.951 -0.947 -13.746 491 HA GLU 66 HA GLU 66 27.359 -1.635 -16.066 492 HB2 GLU 66 2HB GLU 66 24.597 -0.418 -15.941 493 HB3 GLU 66 3HB GLU 66 25.255 -1.409 -17.235 494 HG2 GLU 66 2HG GLU 66 25.418 -2.794 -14.722 495 HG3 GLU 66 3HG GLU 66 23.770 -2.255 -15.034 496 H CYS 67 H CYS 67 25.902 1.460 -15.103 497 HA CYS 67 HA CYS 67 26.524 2.911 -17.400 498 HB2 CYS 67 2HB CYS 67 26.239 3.804 -14.528 499 HB3 CYS 67 3HB CYS 67 26.408 4.921 -15.877 500 HG CYS 67 HG CYS 67 23.924 4.986 -16.509 501 H GLN 68 H GLN 68 28.418 2.370 -14.459 502 HA GLN 68 HA GLN 68 30.580 4.049 -15.202 503 HB2 GLN 68 2HB GLN 68 30.425 1.750 -13.249 504 HB3 GLN 68 3HB GLN 68 31.823 2.802 -13.420 505 HG2 GLN 68 2HG GLN 68 30.315 4.731 -12.881 506 HG3 GLN 68 3HG GLN 68 29.067 3.549 -12.486 507 HE21 GLN 68 1HE2 GLN 68 29.289 4.784 -10.410 508 HE22 GLN 68 2HE2 GLN 68 30.425 4.182 -9.257 509 H ALA 69 H ALA 69 29.766 0.723 -15.860 510 HA ALA 69 HA ALA 69 32.379 0.028 -16.852 511 HB1 ALA 69 1HB ALA 69 29.734 -1.408 -17.031 512 HB2 ALA 69 2HB ALA 69 31.279 -2.070 -17.569 513 HB3 ALA 69 3HB ALA 69 31.024 -1.701 -15.863 514 H TYR 70 H TYR 70 29.856 1.841 -18.061 515 HA TYR 70 HA TYR 70 30.373 1.108 -20.850 516 HB2 TYR 70 2HB TYR 70 28.273 2.923 -19.647 517 HB3 TYR 70 3HB TYR 70 28.429 2.557 -21.361 518 HD1 TYR 70 HD1 TYR 70 29.160 -0.418 -20.909 519 HD2 TYR 70 HD2 TYR 70 26.044 2.065 -19.416 520 HE1 TYR 70 HE1 TYR 70 27.729 -2.398 -20.619 521 HE2 TYR 70 HE2 TYR 70 24.605 0.093 -19.121 522 HH TYR 70 HH TYR 70 24.359 -2.100 -19.636 523 H ARG 71 H ARG 71 30.597 3.808 -18.600 524 HA ARG 71 HA ARG 71 32.394 5.150 -20.494 525 HB2 ARG 71 2HB ARG 71 29.985 6.111 -20.398 526 HB3 ARG 71 3HB ARG 71 30.466 6.740 -18.828 527 HG2 ARG 71 2HG ARG 71 32.503 7.399 -20.683 528 HG3 ARG 71 3HG ARG 71 30.948 7.827 -21.400 529 HD2 ARG 71 2HD ARG 71 30.378 9.191 -19.527 530 HD3 ARG 71 3HD ARG 71 31.766 8.608 -18.610 531 HE ARG 71 HE ARG 71 32.917 9.730 -20.770 532 HH11 ARG 71 1HH1 ARG 71 30.518 10.865 -18.518 533 HH12 ARG 71 2HH1 ARG 71 30.980 12.528 -18.663 534 HH21 ARG 71 1HH2 ARG 71 33.535 11.916 -20.970 535 HH22 ARG 71 2HH2 ARG 71 32.696 13.125 -20.059 536 H HIS 72 H HIS 72 33.270 3.575 -18.430 537 HA HIS 72 HA HIS 72 35.017 5.267 -17.052 538 HB2 HIS 72 2HB HIS 72 32.515 5.337 -15.882 539 HB3 HIS 72 3HB HIS 72 33.371 4.140 -14.914 540 HD1 HIS 72 HD1 HIS 72 34.175 7.616 -16.265 541 HD2 HIS 72 HD2 HIS 72 34.629 5.308 -12.840 542 HE1 HIS 72 HE1 HIS 72 35.329 9.105 -14.598 543 H ASN 73 H ASN 73 35.004 2.794 -18.511 544 HA ASN 73 HA ASN 73 36.420 1.142 -16.560 545 HB2 ASN 73 2HB ASN 73 34.355 0.011 -16.535 546 HB3 ASN 73 3HB ASN 73 34.110 0.237 -18.264 547 HD21 ASN 73 1HD2 ASN 73 34.893 -1.236 -19.666 548 HD22 ASN 73 2HD2 ASN 73 35.740 -2.667 -19.198 Start of MODEL 3 1 H1 MET 1 H MET 1 1.123 1.069 0.410 2 HA MET 1 HA MET 1 2.656 -0.087 -1.825 3 HB2 MET 1 2HB MET 1 0.348 0.390 -2.508 4 HB3 MET 1 3HB MET 1 0.528 2.056 -1.974 5 HG2 MET 1 2HG MET 1 2.623 1.797 -3.692 6 HG3 MET 1 3HG MET 1 1.411 0.760 -4.439 7 HE1 MET 1 3HE MET 1 -1.434 2.893 -5.399 8 HE2 MET 1 1HE MET 1 -0.953 1.381 -4.630 9 HE3 MET 1 2HE MET 1 -1.483 2.742 -3.642 10 H GLY 2 H GLY 2 1.703 3.162 -0.686 11 HA2 GLY 2 2HA GLY 2 2.993 4.986 -0.122 12 HA3 GLY 2 3HA GLY 2 4.380 3.911 -0.043 13 H SER 3 H SER 3 5.915 4.867 -1.223 14 HA SER 3 HA SER 3 5.188 5.826 -3.913 15 HB2 SER 3 2HB SER 3 6.386 7.263 -1.915 16 HB3 SER 3 3HB SER 3 7.783 6.690 -2.826 17 HG SER 3 HG SER 3 7.321 8.309 -4.087 18 H TRP 4 H TRP 4 5.845 3.075 -3.133 19 HA TRP 4 HA TRP 4 8.506 2.521 -4.036 20 HB2 TRP 4 2HB TRP 4 7.520 0.989 -2.478 21 HB3 TRP 4 3HB TRP 4 6.117 0.749 -3.515 22 HD1 TRP 4 HD1 TRP 4 6.551 -0.689 -5.811 23 HE1 TRP 4 HE1 TRP 4 8.239 -2.574 -6.283 24 HE3 TRP 4 HE3 TRP 4 9.794 0.142 -1.948 25 HZ2 TRP 4 HZ2 TRP 4 10.629 -3.576 -5.164 26 HZ3 TRP 4 HZ3 TRP 4 11.756 -1.325 -1.719 27 HH2 TRP 4 HH2 TRP 4 12.163 -3.145 -3.295 28 H ALA 5 H ALA 5 5.265 2.182 -5.445 29 HA ALA 5 HA ALA 5 5.899 0.969 -7.839 30 HB1 ALA 5 1HB ALA 5 3.857 3.165 -7.573 31 HB2 ALA 5 2HB ALA 5 3.849 1.805 -8.697 32 HB3 ALA 5 3HB ALA 5 3.606 1.525 -6.973 33 H GLU 6 H GLU 6 5.836 4.461 -7.142 34 HA GLU 6 HA GLU 6 6.568 5.377 -9.664 35 HB2 GLU 6 2HB GLU 6 6.569 6.452 -6.931 36 HB3 GLU 6 3HB GLU 6 7.765 7.186 -7.989 37 HG2 GLU 6 2HG GLU 6 6.064 7.819 -9.562 38 HG3 GLU 6 3HG GLU 6 4.837 6.956 -8.637 39 H PHE 7 H PHE 7 8.646 4.576 -6.891 40 HA PHE 7 HA PHE 7 11.098 5.196 -8.066 41 HB2 PHE 7 2HB PHE 7 10.172 3.719 -5.728 42 HB3 PHE 7 3HB PHE 7 11.647 3.040 -6.409 43 HD1 PHE 7 HD1 PHE 7 10.130 6.098 -5.011 44 HD2 PHE 7 HD2 PHE 7 13.724 4.134 -6.168 45 HE1 PHE 7 HE1 PHE 7 11.444 7.854 -3.897 46 HE2 PHE 7 HE2 PHE 7 15.044 5.886 -5.055 47 HZ PHE 7 HZ PHE 7 13.905 7.749 -3.917 48 H LYS 8 H LYS 8 9.254 2.174 -8.084 49 HA LYS 8 HA LYS 8 11.154 0.588 -9.409 50 HB2 LYS 8 2HB LYS 8 8.935 -0.073 -8.227 51 HB3 LYS 8 3HB LYS 8 8.198 0.225 -9.796 52 HG2 LYS 8 2HG LYS 8 8.695 -1.869 -10.319 53 HG3 LYS 8 3HG LYS 8 10.392 -1.384 -10.354 54 HD2 LYS 8 2HD LYS 8 10.031 -1.747 -7.698 55 HD3 LYS 8 3HD LYS 8 8.902 -2.940 -8.343 56 HE2 LYS 8 2HE LYS 8 10.552 -4.237 -9.193 57 HE3 LYS 8 3HE LYS 8 11.571 -2.858 -9.602 58 HZ1 LYS 8 3HZ LYS 8 11.506 -4.454 -7.192 59 HZ2 LYS 8 1HZ LYS 8 11.614 -2.786 -6.927 60 HZ3 LYS 8 2HZ LYS 8 12.778 -3.569 -7.872 61 H GLN 9 H GLN 9 8.538 2.627 -10.650 62 HA GLN 9 HA GLN 9 8.769 1.932 -13.355 63 HB2 GLN 9 2HB GLN 9 7.249 3.733 -11.826 64 HB3 GLN 9 3HB GLN 9 8.070 4.713 -13.033 65 HG2 GLN 9 2HG GLN 9 7.214 3.108 -14.765 66 HG3 GLN 9 3HG GLN 9 6.220 2.393 -13.496 67 HE21 GLN 9 1HE2 GLN 9 4.333 2.963 -14.599 68 HE22 GLN 9 2HE2 GLN 9 3.755 4.590 -14.632 69 H ARG 10 H ARG 10 10.095 4.786 -11.672 70 HA ARG 10 HA ARG 10 11.557 5.837 -13.772 71 HB2 ARG 10 2HB ARG 10 11.967 5.907 -10.794 72 HB3 ARG 10 3HB ARG 10 13.091 6.709 -11.883 73 HG2 ARG 10 2HG ARG 10 11.762 8.477 -11.853 74 HG3 ARG 10 3HG ARG 10 10.546 7.522 -12.703 75 HD2 ARG 10 2HD ARG 10 9.305 7.197 -10.840 76 HD3 ARG 10 3HD ARG 10 10.718 7.100 -9.789 77 HE ARG 10 HE ARG 10 10.532 9.348 -9.386 78 HH11 ARG 10 1HH1 ARG 10 8.583 8.511 -12.148 79 HH12 ARG 10 2HH1 ARG 10 7.827 10.066 -12.249 80 HH21 ARG 10 1HH2 ARG 10 9.543 11.400 -9.510 81 HH22 ARG 10 2HH2 ARG 10 8.374 11.709 -10.749 82 H LEU 11 H LEU 11 12.563 3.430 -11.365 83 HA LEU 11 HA LEU 11 15.218 3.151 -12.215 84 HB2 LEU 11 2HB LEU 11 13.602 2.036 -10.263 85 HB3 LEU 11 3HB LEU 11 14.035 0.667 -11.285 86 HG LEU 11 HG LEU 11 16.398 1.109 -10.910 87 HD11 LEU 11 1HD1 LEU 11 16.988 3.207 -10.458 88 HD12 LEU 11 2HD1 LEU 11 16.510 2.873 -8.794 89 HD13 LEU 11 3HD1 LEU 11 15.367 3.630 -9.904 90 HD21 LEU 11 3HD2 LEU 11 16.180 0.981 -8.238 91 HD22 LEU 11 1HD2 LEU 11 15.834 -0.379 -9.306 92 HD23 LEU 11 2HD2 LEU 11 14.514 0.617 -8.691 93 H ALA 12 H ALA 12 12.260 1.516 -13.247 94 HA ALA 12 HA ALA 12 13.436 -0.408 -14.915 95 HB1 ALA 12 1HB ALA 12 11.301 -1.022 -14.904 96 HB2 ALA 12 2HB ALA 12 10.783 0.577 -14.369 97 HB3 ALA 12 3HB ALA 12 10.995 0.248 -16.089 98 H ALA 13 H ALA 13 12.243 2.860 -15.637 99 HA ALA 13 HA ALA 13 12.793 2.802 -18.399 100 HB1 ALA 13 1HB ALA 13 12.639 5.264 -18.270 101 HB2 ALA 13 2HB ALA 13 11.297 4.450 -17.464 102 HB3 ALA 13 3HB ALA 13 12.607 5.146 -16.511 103 H ILE 14 H ILE 14 14.721 3.862 -15.625 104 HA ILE 14 HA ILE 14 16.887 4.909 -17.095 105 HB ILE 14 HB ILE 14 16.856 3.745 -14.308 106 HG12 ILE 14 2HG1 ILE 14 16.970 6.666 -14.954 107 HG13 ILE 14 3HG1 ILE 14 15.421 5.833 -15.019 108 HG21 ILE 14 1HG2 ILE 14 19.035 4.593 -15.951 109 HG22 ILE 14 2HG2 ILE 14 18.863 5.700 -14.590 110 HG23 ILE 14 3HG2 ILE 14 19.063 3.972 -14.301 111 HD11 ILE 14 3HD1 ILE 14 17.163 6.425 -12.685 112 HD12 ILE 14 1HD1 ILE 14 15.420 6.612 -12.872 113 HD13 ILE 14 2HD1 ILE 14 16.115 5.008 -12.638 114 H LYS 15 H LYS 15 16.187 1.676 -15.868 115 HA LYS 15 HA LYS 15 18.708 0.543 -16.491 116 HB2 LYS 15 2HB LYS 15 16.348 -0.306 -15.245 117 HB3 LYS 15 3HB LYS 15 16.539 -1.368 -16.634 118 HG2 LYS 15 2HG LYS 15 19.074 -1.228 -15.501 119 HG3 LYS 15 3HG LYS 15 17.967 -1.335 -14.130 120 HD2 LYS 15 2HD LYS 15 17.861 -3.184 -16.508 121 HD3 LYS 15 3HD LYS 15 18.767 -3.539 -15.035 122 HE2 LYS 15 2HE LYS 15 16.917 -4.324 -14.093 123 HE3 LYS 15 3HE LYS 15 16.159 -2.743 -14.270 124 HZ1 LYS 15 3HZ LYS 15 15.734 -5.154 -15.774 125 HZ2 LYS 15 1HZ LYS 15 15.972 -3.796 -16.756 126 HZ3 LYS 15 2HZ LYS 15 14.737 -3.799 -15.600 127 H THR 16 H THR 16 15.636 0.710 -18.244 128 HA THR 16 HA THR 16 16.359 -0.894 -20.428 129 HB THR 16 HB THR 16 14.515 1.474 -20.677 130 HG1 THR 16 HG1 THR 16 14.024 -1.032 -19.412 131 HG21 THR 16 3HG2 THR 16 13.788 -1.151 -21.773 132 HG22 THR 16 1HG2 THR 16 15.241 -0.442 -22.477 133 HG23 THR 16 2HG2 THR 16 13.718 0.447 -22.516 134 H ARG 17 H ARG 17 16.373 2.664 -20.149 135 HA ARG 17 HA ARG 17 17.575 3.135 -22.650 136 HB2 ARG 17 2HB ARG 17 16.992 4.709 -20.222 137 HB3 ARG 17 3HB ARG 17 18.318 5.312 -21.207 138 HG2 ARG 17 2HG ARG 17 16.663 6.413 -22.256 139 HG3 ARG 17 3HG ARG 17 16.491 4.886 -23.125 140 HD2 ARG 17 2HD ARG 17 14.825 4.205 -21.361 141 HD3 ARG 17 3HD ARG 17 14.884 5.867 -20.776 142 HE ARG 17 HE ARG 17 13.559 4.906 -23.139 143 HH11 ARG 17 1HH1 ARG 17 14.989 7.670 -21.579 144 HH12 ARG 17 2HH1 ARG 17 14.072 8.823 -22.491 145 HH21 ARG 17 1HH2 ARG 17 12.346 6.414 -24.346 146 HH22 ARG 17 2HH2 ARG 17 12.568 8.107 -24.064 147 H CYS 18 H CYS 18 18.905 2.473 -19.477 148 HA CYS 18 HA CYS 18 21.582 3.205 -20.075 149 HB2 CYS 18 2HB CYS 18 21.024 3.097 -17.781 150 HB3 CYS 18 3HB CYS 18 20.330 1.489 -17.941 151 HG CYS 18 HG CYS 18 22.429 0.409 -16.938 152 H GLN 19 H GLN 19 19.744 0.222 -20.366 153 HA GLN 19 HA GLN 19 21.984 -1.429 -20.986 154 HB2 GLN 19 2HB GLN 19 19.026 -1.817 -21.464 155 HB3 GLN 19 3HB GLN 19 20.244 -3.052 -21.752 156 HG2 GLN 19 2HG GLN 19 20.471 -1.954 -19.093 157 HG3 GLN 19 3HG GLN 19 18.854 -2.585 -19.398 158 HE21 GLN 19 1HE2 GLN 19 22.040 -3.337 -18.607 159 HE22 GLN 19 2HE2 GLN 19 21.928 -5.057 -18.721 160 H ALA 20 H ALA 20 19.534 0.239 -22.927 161 HA ALA 20 HA ALA 20 20.574 -0.710 -25.423 162 HB1 ALA 20 1HB ALA 20 18.376 -0.207 -25.700 163 HB2 ALA 20 2HB ALA 20 18.427 1.148 -24.572 164 HB3 ALA 20 3HB ALA 20 19.068 1.336 -26.204 165 H LEU 21 H LEU 21 21.169 2.016 -23.353 166 HA LEU 21 HA LEU 21 22.552 3.821 -23.505 167 HB2 LEU 21 2HB LEU 21 24.026 1.774 -25.140 168 HB3 LEU 21 3HB LEU 21 24.703 3.359 -24.770 169 HG LEU 21 HG LEU 21 23.974 1.213 -22.779 170 HD11 LEU 21 1HD1 LEU 21 26.393 1.864 -24.249 171 HD12 LEU 21 2HD1 LEU 21 25.993 0.432 -23.301 172 HD13 LEU 21 3HD1 LEU 21 26.635 1.866 -22.501 173 HD21 LEU 21 3HD2 LEU 21 24.723 4.077 -22.483 174 HD22 LEU 21 1HD2 LEU 21 25.344 2.916 -21.310 175 HD23 LEU 21 2HD2 LEU 21 23.604 3.097 -21.536 176 H GLY 22 H GLY 22 20.391 3.586 -25.493 177 HA2 GLY 22 2HA GLY 22 21.559 4.873 -27.852 178 HA3 GLY 22 3HA GLY 22 19.912 4.277 -27.708 179 H GLY 23 H GLY 23 20.182 5.770 -24.912 180 HA2 GLY 23 2HA GLY 23 18.552 7.929 -25.518 181 HA3 GLY 23 3HA GLY 23 19.552 7.815 -24.077 182 H SER 24 H SER 24 21.940 8.317 -24.492 183 HA SER 24 HA SER 24 22.773 9.897 -26.640 184 HB2 SER 24 2HB SER 24 21.140 11.299 -24.690 185 HB3 SER 24 3HB SER 24 22.752 12.003 -24.806 186 HG SER 24 HG SER 24 22.284 12.726 -26.725 187 H GLU 25 H GLU 25 24.934 10.337 -26.514 188 HA GLU 25 HA GLU 25 26.547 8.933 -24.786 189 HB2 GLU 25 2HB GLU 25 28.378 10.479 -25.493 190 HB3 GLU 25 3HB GLU 25 27.445 9.814 -26.827 191 HG2 GLU 25 2HG GLU 25 27.186 11.880 -27.570 192 HG3 GLU 25 3HG GLU 25 26.153 12.187 -26.175 193 H ALA 26 H ALA 26 25.243 12.174 -24.414 194 HA ALA 26 HA ALA 26 26.743 12.656 -21.981 195 HB1 ALA 26 1HB ALA 26 26.489 14.634 -23.123 196 HB2 ALA 26 2HB ALA 26 24.850 14.247 -23.647 197 HB3 ALA 26 3HB ALA 26 25.150 14.731 -21.978 198 H GLU 27 H GLU 27 23.455 11.833 -22.938 199 HA GLU 27 HA GLU 27 22.086 12.237 -20.581 200 HB2 GLU 27 2HB GLU 27 21.775 10.434 -22.903 201 HB3 GLU 27 3HB GLU 27 20.920 9.950 -21.445 202 HG2 GLU 27 2HG GLU 27 19.853 12.172 -21.372 203 HG3 GLU 27 3HG GLU 27 20.652 12.575 -22.890 204 H CYS 28 H CYS 28 24.301 9.659 -21.425 205 HA CYS 28 HA CYS 28 23.740 7.774 -19.493 206 HB2 CYS 28 2HB CYS 28 26.515 8.582 -20.381 207 HB3 CYS 28 3HB CYS 28 26.032 7.024 -19.722 208 HG CYS 28 HG CYS 28 25.527 5.940 -21.985 209 H ALA 29 H ALA 29 25.761 10.672 -19.204 210 HA ALA 29 HA ALA 29 26.739 10.281 -16.636 211 HB1 ALA 29 1HB ALA 29 26.197 13.042 -16.921 212 HB2 ALA 29 2HB ALA 29 27.728 12.197 -17.153 213 HB3 ALA 29 3HB ALA 29 26.628 12.418 -18.514 214 H ALA 30 H ALA 30 23.827 12.112 -17.587 215 HA ALA 30 HA ALA 30 22.925 12.738 -15.034 216 HB1 ALA 30 1HB ALA 30 20.706 12.200 -16.785 217 HB2 ALA 30 2HB ALA 30 21.305 13.742 -16.173 218 HB3 ALA 30 3HB ALA 30 21.987 13.053 -17.646 219 H PHE 31 H PHE 31 22.554 9.793 -16.908 220 HA PHE 31 HA PHE 31 20.564 8.574 -15.327 221 HB2 PHE 31 2HB PHE 31 22.426 7.749 -17.443 222 HB3 PHE 31 3HB PHE 31 22.012 6.463 -16.313 223 HD1 PHE 31 HD1 PHE 31 19.796 9.240 -17.317 224 HD2 PHE 31 HD2 PHE 31 20.714 5.105 -17.735 225 HE1 PHE 31 HE1 PHE 31 17.668 8.890 -18.502 226 HE2 PHE 31 HE2 PHE 31 18.589 4.749 -18.921 227 HZ PHE 31 HZ PHE 31 17.063 6.643 -19.307 228 H GLU 32 H GLU 32 24.108 8.257 -15.274 229 HA GLU 32 HA GLU 32 24.293 6.437 -13.171 230 HB2 GLU 32 2HB GLU 32 26.206 6.957 -14.562 231 HB3 GLU 32 3HB GLU 32 26.204 8.624 -14.004 232 HG2 GLU 32 2HG GLU 32 27.606 8.057 -12.398 233 HG3 GLU 32 3HG GLU 32 26.362 7.018 -11.705 234 H LYS 33 H LYS 33 24.311 9.987 -13.101 235 HA LYS 33 HA LYS 33 24.686 10.310 -10.350 236 HB2 LYS 33 2HB LYS 33 23.713 11.975 -12.581 237 HB3 LYS 33 3HB LYS 33 23.148 12.463 -10.989 238 HG2 LYS 33 2HG LYS 33 25.127 13.314 -10.440 239 HG3 LYS 33 3HG LYS 33 25.991 11.887 -11.015 240 HD2 LYS 33 2HD LYS 33 26.452 12.820 -13.013 241 HD3 LYS 33 3HD LYS 33 24.865 13.585 -13.133 242 HE2 LYS 33 2HE LYS 33 26.666 14.679 -11.072 243 HE3 LYS 33 3HE LYS 33 27.173 14.933 -12.741 244 HZ1 LYS 33 3HZ LYS 33 25.479 16.529 -11.436 245 HZ2 LYS 33 1HZ LYS 33 24.383 15.489 -12.198 246 HZ3 LYS 33 2HZ LYS 33 25.502 16.361 -13.119 247 H GLU 34 H GLU 34 21.650 10.259 -12.216 248 HA GLU 34 HA GLU 34 19.863 10.582 -10.133 249 HB2 GLU 34 2HB GLU 34 19.714 9.924 -12.857 250 HB3 GLU 34 3HB GLU 34 18.863 8.634 -12.018 251 HG2 GLU 34 2HG GLU 34 17.449 10.281 -10.907 252 HG3 GLU 34 3HG GLU 34 18.306 11.579 -11.737 253 H ILE 35 H ILE 35 21.233 7.556 -11.395 254 HA ILE 35 HA ILE 35 19.871 5.796 -9.701 255 HB ILE 35 HB ILE 35 22.598 5.529 -10.965 256 HG12 ILE 35 2HG1 ILE 35 20.641 5.756 -12.497 257 HG13 ILE 35 3HG1 ILE 35 21.465 4.207 -12.641 258 HG21 ILE 35 1HG2 ILE 35 22.815 3.887 -9.418 259 HG22 ILE 35 2HG2 ILE 35 21.075 3.724 -9.186 260 HG23 ILE 35 3HG2 ILE 35 21.850 2.992 -10.591 261 HD11 ILE 35 3HD1 ILE 35 19.589 3.126 -12.208 262 HD12 ILE 35 1HD1 ILE 35 19.374 4.012 -10.699 263 HD13 ILE 35 2HD1 ILE 35 18.742 4.673 -12.208 264 H ALA 36 H ALA 36 22.999 7.419 -9.291 265 HA ALA 36 HA ALA 36 23.798 6.232 -6.908 266 HB1 ALA 36 1HB ALA 36 25.131 7.789 -8.384 267 HB2 ALA 36 2HB ALA 36 24.292 9.121 -7.587 268 HB3 ALA 36 3HB ALA 36 25.310 8.031 -6.646 269 H ALA 37 H ALA 37 21.846 9.166 -7.394 270 HA ALA 37 HA ALA 37 21.479 9.703 -4.636 271 HB1 ALA 37 1HB ALA 37 20.076 11.428 -5.290 272 HB2 ALA 37 2HB ALA 37 21.148 11.253 -6.681 273 HB3 ALA 37 3HB ALA 37 19.523 10.569 -6.728 274 H PHE 38 H PHE 38 19.757 7.732 -6.961 275 HA PHE 38 HA PHE 38 17.368 7.366 -5.532 276 HB2 PHE 38 2HB PHE 38 18.643 6.228 -7.865 277 HB3 PHE 38 3HB PHE 38 17.858 4.973 -6.912 278 HD1 PHE 38 HD2 PHE 38 17.017 8.499 -7.810 279 HD2 PHE 38 HD1 PHE 38 15.801 4.421 -7.744 280 HE1 PHE 38 HE2 PHE 38 14.844 9.135 -8.773 281 HE2 PHE 38 HE1 PHE 38 13.626 5.050 -8.707 282 HZ PHE 38 HZ PHE 38 13.145 7.410 -9.222 283 H GLU 39 H GLU 39 20.256 5.281 -5.695 284 HA GLU 39 HA GLU 39 19.358 3.454 -3.734 285 HB2 GLU 39 2HB GLU 39 21.688 2.663 -3.692 286 HB3 GLU 39 3HB GLU 39 21.088 2.850 -5.334 287 HG2 GLU 39 2HG GLU 39 22.243 5.033 -5.461 288 HG3 GLU 39 3HG GLU 39 22.917 4.731 -3.861 289 H SER 40 H SER 40 21.301 6.387 -3.574 290 HA SER 40 HA SER 40 22.081 6.111 -0.863 291 HB2 SER 40 2HB SER 40 23.012 8.238 -1.062 292 HB3 SER 40 3HB SER 40 23.014 7.679 -2.735 293 HG SER 40 HG SER 40 22.164 9.839 -2.401 294 H GLU 41 H GLU 41 19.253 7.425 -2.442 295 HA GLU 41 HA GLU 41 18.242 8.644 -0.021 296 HB2 GLU 41 2HB GLU 41 17.251 8.388 -2.838 297 HB3 GLU 41 3HB GLU 41 16.140 8.860 -1.560 298 HG2 GLU 41 2HG GLU 41 18.646 10.361 -1.566 299 HG3 GLU 41 3HG GLU 41 17.678 10.563 -3.026 300 H LEU 42 H LEU 42 17.911 5.650 -1.752 301 HA LEU 42 HA LEU 42 15.547 4.823 -0.310 302 HB2 LEU 42 2HB LEU 42 17.378 3.412 -2.236 303 HB3 LEU 42 3HB LEU 42 16.006 2.626 -1.459 304 HG LEU 42 HG LEU 42 15.702 5.081 -3.170 305 HD11 LEU 42 1HD1 LEU 42 14.784 2.935 -4.641 306 HD12 LEU 42 2HD1 LEU 42 16.314 2.362 -3.976 307 HD13 LEU 42 3HD1 LEU 42 16.268 3.844 -4.931 308 HD21 LEU 42 3HD2 LEU 42 13.705 4.895 -2.116 309 HD22 LEU 42 1HD2 LEU 42 13.908 3.172 -1.795 310 HD23 LEU 42 2HD2 LEU 42 13.414 3.718 -3.398 311 H GLN 43 H GLN 43 18.978 4.566 0.026 312 HA GLN 43 HA GLN 43 18.916 2.338 1.845 313 HB2 GLN 43 2HB GLN 43 21.259 2.575 1.995 314 HB3 GLN 43 3HB GLN 43 20.859 2.981 0.331 315 HG2 GLN 43 2HG GLN 43 22.091 4.801 0.642 316 HG3 GLN 43 3HG GLN 43 20.735 5.412 1.589 317 HE21 GLN 43 1HE2 GLN 43 23.698 5.784 1.769 318 HE22 GLN 43 2HE2 GLN 43 24.087 5.411 3.410 319 H ALA 44 H ALA 44 18.537 5.742 2.072 320 HA ALA 44 HA ALA 44 19.242 5.918 4.867 321 HB1 ALA 44 1HB ALA 44 19.174 7.746 2.871 322 HB2 ALA 44 2HB ALA 44 17.653 8.093 3.695 323 HB3 ALA 44 3HB ALA 44 19.172 8.147 4.589 324 H TYR 45 H TYR 45 16.510 4.986 3.084 325 HA TYR 45 HA TYR 45 14.357 5.876 4.561 326 HB2 TYR 45 2HB TYR 45 14.896 3.616 2.772 327 HB3 TYR 45 3HB TYR 45 13.623 3.298 3.944 328 HD1 TYR 45 HD2 TYR 45 12.167 5.726 4.215 329 HD2 TYR 45 HD1 TYR 45 13.985 4.124 0.717 330 HE1 TYR 45 HE2 TYR 45 10.568 6.971 2.821 331 HE2 TYR 45 HE1 TYR 45 12.392 5.366 -0.686 332 HH TYR 45 HH TYR 45 10.635 7.882 0.313 333 H LYS 46 H LYS 46 15.871 2.671 4.980 334 HA LYS 46 HA LYS 46 16.217 2.815 7.741 335 HB2 LYS 46 2HB LYS 46 13.500 2.559 7.056 336 HB3 LYS 46 3HB LYS 46 14.005 0.968 7.607 337 HG2 LYS 46 2HG LYS 46 14.281 1.643 9.740 338 HG3 LYS 46 3HG LYS 46 14.856 3.245 9.275 339 HD2 LYS 46 2HD LYS 46 12.543 3.874 8.691 340 HD3 LYS 46 3HD LYS 46 11.993 2.288 9.237 341 HE2 LYS 46 2HE LYS 46 13.102 2.875 11.465 342 HE3 LYS 46 3HE LYS 46 13.166 4.529 10.858 343 HZ1 LYS 46 3HZ LYS 46 11.185 4.456 12.023 344 HZ2 LYS 46 1HZ LYS 46 10.801 2.891 11.507 345 HZ3 LYS 46 2HZ LYS 46 10.673 4.191 10.433 346 H GLY 47 H GLY 47 14.743 0.312 5.660 347 HA2 GLY 47 2HA GLY 47 15.824 -1.546 4.716 348 HA3 GLY 47 3HA GLY 47 17.255 -1.168 5.664 349 H LYS 48 H LYS 48 16.312 -1.102 8.213 350 HA LYS 48 HA LYS 48 16.202 -3.815 8.907 351 HB2 LYS 48 2HB LYS 48 15.888 -1.237 10.347 352 HB3 LYS 48 3HB LYS 48 15.262 -2.672 11.147 353 HG2 LYS 48 2HG LYS 48 17.297 -3.310 11.748 354 HG3 LYS 48 3HG LYS 48 17.897 -3.161 10.094 355 HD2 LYS 48 2HD LYS 48 19.191 -1.563 11.063 356 HD3 LYS 48 3HD LYS 48 17.773 -0.570 10.719 357 HE2 LYS 48 2HE LYS 48 17.742 -2.024 13.285 358 HE3 LYS 48 3HE LYS 48 18.942 -0.740 13.143 359 HZ1 LYS 48 3HZ LYS 48 17.186 0.470 13.867 360 HZ2 LYS 48 1HZ LYS 48 16.028 -0.563 13.193 361 HZ3 LYS 48 2HZ LYS 48 16.850 0.541 12.211 362 H GLY 49 H GLY 49 13.643 -1.495 9.767 363 HA2 GLY 49 2HA GLY 49 11.661 -3.492 10.016 364 HA3 GLY 49 3HA GLY 49 11.368 -1.761 9.929 365 H ASN 50 H ASN 50 12.689 -1.531 7.308 366 HA ASN 50 HA ASN 50 10.621 -2.831 5.659 367 HB2 ASN 50 2HB ASN 50 11.163 -0.726 4.137 368 HB3 ASN 50 3HB ASN 50 9.989 -0.631 5.446 369 HD21 ASN 50 1HD2 ASN 50 10.325 0.759 7.069 370 HD22 ASN 50 2HD2 ASN 50 11.733 1.745 7.246 371 HA PRO 51 HA PRO 51 14.761 -4.273 4.179 372 HB2 PRO 51 2HB PRO 51 13.968 -6.838 3.775 373 HB3 PRO 51 3HB PRO 51 14.539 -6.244 5.339 374 HG2 PRO 51 2HG PRO 51 11.734 -6.648 4.375 375 HG3 PRO 51 3HG PRO 51 12.443 -7.047 5.950 376 HD2 PRO 51 2HD PRO 51 10.938 -4.832 5.549 377 HD3 PRO 51 3HD PRO 51 12.276 -4.879 6.715 378 H GLU 52 H GLU 52 11.562 -4.166 2.946 379 HA GLU 52 HA GLU 52 11.770 -5.352 0.458 380 HB2 GLU 52 2HB GLU 52 10.024 -3.739 -0.273 381 HB3 GLU 52 3HB GLU 52 9.654 -4.521 1.257 382 HG2 GLU 52 2HG GLU 52 10.831 -2.362 2.229 383 HG3 GLU 52 3HG GLU 52 10.316 -1.691 0.682 384 H VAL 53 H VAL 53 12.999 -2.262 1.555 385 HA VAL 53 HA VAL 53 13.562 -1.070 -0.908 386 HB VAL 53 HB VAL 53 15.166 -0.807 1.639 387 HG11 VAL 53 1HG1 VAL 53 15.416 0.382 -0.975 388 HG12 VAL 53 2HG1 VAL 53 15.111 1.613 0.252 389 HG13 VAL 53 3HG1 VAL 53 16.480 0.514 0.425 390 HG21 VAL 53 3HG2 VAL 53 13.695 1.311 1.821 391 HG22 VAL 53 1HG2 VAL 53 12.613 0.460 0.718 392 HG23 VAL 53 2HG2 VAL 53 13.005 -0.244 2.287 393 H GLU 54 H GLU 54 15.046 -3.735 0.674 394 HA GLU 54 HA GLU 54 17.651 -3.673 -0.230 395 HB2 GLU 54 2HB GLU 54 17.726 -6.017 0.113 396 HB3 GLU 54 3HB GLU 54 16.576 -5.392 1.287 397 HG2 GLU 54 2HG GLU 54 14.764 -6.003 -0.373 398 HG3 GLU 54 3HG GLU 54 16.010 -6.893 -1.247 399 H ALA 55 H ALA 55 14.733 -4.622 -1.961 400 HA ALA 55 HA ALA 55 16.023 -5.648 -4.262 401 HB1 ALA 55 1HB ALA 55 13.390 -4.442 -4.696 402 HB2 ALA 55 2HB ALA 55 13.948 -6.090 -4.986 403 HB3 ALA 55 3HB ALA 55 13.452 -5.599 -3.366 404 H LEU 56 H LEU 56 14.477 -2.494 -3.649 405 HA LEU 56 HA LEU 56 15.071 -1.316 -6.103 406 HB2 LEU 56 2HB LEU 56 14.054 -0.493 -3.560 407 HB3 LEU 56 3HB LEU 56 15.227 0.694 -4.127 408 HG LEU 56 HG LEU 56 13.952 1.105 -6.111 409 HD11 LEU 56 1HD1 LEU 56 11.586 -0.177 -6.020 410 HD12 LEU 56 2HD1 LEU 56 12.643 -1.424 -5.359 411 HD13 LEU 56 3HD1 LEU 56 12.973 -0.741 -6.951 412 HD21 LEU 56 3HD2 LEU 56 11.574 1.262 -4.635 413 HD22 LEU 56 1HD2 LEU 56 12.787 2.522 -4.861 414 HD23 LEU 56 2HD2 LEU 56 12.884 1.446 -3.467 415 H ARG 57 H ARG 57 16.945 -1.382 -3.096 416 HA ARG 57 HA ARG 57 19.034 0.295 -3.946 417 HB2 ARG 57 2HB ARG 57 18.805 -0.177 -1.614 418 HB3 ARG 57 3HB ARG 57 18.939 -1.909 -1.889 419 HG2 ARG 57 2HG ARG 57 21.221 -0.233 -2.743 420 HG3 ARG 57 3HG ARG 57 20.962 -0.428 -1.009 421 HD2 ARG 57 2HD ARG 57 21.631 -2.566 -1.035 422 HD3 ARG 57 3HD ARG 57 20.740 -2.920 -2.515 423 HE ARG 57 HE ARG 57 22.660 -2.579 -3.709 424 HH11 ARG 57 1HH1 ARG 57 23.050 -1.236 -0.521 425 HH12 ARG 57 2HH1 ARG 57 24.737 -0.897 -0.728 426 HH21 ARG 57 1HH2 ARG 57 24.880 -2.137 -3.994 427 HH22 ARG 57 2HH2 ARG 57 25.776 -1.409 -2.704 428 H LYS 58 H LYS 58 18.638 -3.222 -4.108 429 HA LYS 58 HA LYS 58 21.164 -3.865 -5.114 430 HB2 LYS 58 2HB LYS 58 18.674 -5.201 -4.683 431 HB3 LYS 58 3HB LYS 58 19.255 -5.612 -6.292 432 HG2 LYS 58 2HG LYS 58 21.353 -5.734 -4.288 433 HG3 LYS 58 3HG LYS 58 20.001 -6.812 -3.931 434 HD2 LYS 58 2HD LYS 58 20.196 -7.850 -6.097 435 HD3 LYS 58 3HD LYS 58 21.433 -6.690 -6.584 436 HE2 LYS 58 2HE LYS 58 23.039 -7.631 -5.197 437 HE3 LYS 58 3HE LYS 58 21.837 -8.403 -4.164 438 HZ1 LYS 58 3HZ LYS 58 21.550 -9.418 -6.755 439 HZ2 LYS 58 1HZ LYS 58 22.043 -10.236 -5.359 440 HZ3 LYS 58 2HZ LYS 58 23.192 -9.494 -6.354 441 H GLU 59 H GLU 59 18.123 -3.359 -6.911 442 HA GLU 59 HA GLU 59 19.142 -3.621 -9.477 443 HB2 GLU 59 2HB GLU 59 16.785 -2.266 -8.281 444 HB3 GLU 59 3HB GLU 59 17.221 -1.803 -9.920 445 HG2 GLU 59 2HG GLU 59 16.566 -4.572 -8.946 446 HG3 GLU 59 3HG GLU 59 15.571 -3.547 -9.979 447 H ALA 60 H ALA 60 18.737 -0.633 -7.580 448 HA ALA 60 HA ALA 60 19.726 1.194 -9.392 449 HB1 ALA 60 1HB ALA 60 18.700 1.783 -7.235 450 HB2 ALA 60 2HB ALA 60 20.162 1.244 -6.409 451 HB3 ALA 60 3HB ALA 60 20.226 2.625 -7.503 452 H ALA 61 H ALA 61 21.582 -0.580 -6.919 453 HA ALA 61 HA ALA 61 24.101 0.422 -7.501 454 HB1 ALA 61 1HB ALA 61 23.943 -0.843 -5.552 455 HB2 ALA 61 2HB ALA 61 23.183 -2.202 -6.382 456 HB3 ALA 61 3HB ALA 61 24.895 -1.863 -6.632 457 H ALA 62 H ALA 62 22.432 -2.371 -8.921 458 HA ALA 62 HA ALA 62 24.497 -3.287 -10.558 459 HB1 ALA 62 1HB ALA 62 22.773 -4.409 -11.851 460 HB2 ALA 62 2HB ALA 62 22.436 -4.545 -10.125 461 HB3 ALA 62 3HB ALA 62 21.534 -3.395 -11.111 462 H ILE 63 H ILE 63 21.922 -0.939 -11.257 463 HA ILE 63 HA ILE 63 22.581 -0.449 -13.930 464 HB ILE 63 HB ILE 63 21.375 1.475 -11.939 465 HG12 ILE 63 2HG1 ILE 63 19.658 0.177 -13.940 466 HG13 ILE 63 3HG1 ILE 63 20.352 -0.932 -12.761 467 HG21 ILE 63 1HG2 ILE 63 21.516 1.516 -14.944 468 HG22 ILE 63 2HG2 ILE 63 20.394 2.505 -14.012 469 HG23 ILE 63 3HG2 ILE 63 22.132 2.721 -13.813 470 HD11 ILE 63 3HD1 ILE 63 18.132 0.803 -12.479 471 HD12 ILE 63 1HD1 ILE 63 18.800 -0.336 -11.310 472 HD13 ILE 63 2HD1 ILE 63 19.388 1.326 -11.357 473 H ARG 64 H ARG 64 23.686 1.148 -10.961 474 HA ARG 64 HA ARG 64 25.217 3.162 -12.144 475 HB2 ARG 64 2HB ARG 64 24.597 2.948 -9.705 476 HB3 ARG 64 3HB ARG 64 25.881 1.756 -9.557 477 HG2 ARG 64 2HG ARG 64 27.410 3.589 -10.510 478 HG3 ARG 64 3HG ARG 64 26.094 4.690 -10.095 479 HD2 ARG 64 2HD ARG 64 26.184 3.635 -7.770 480 HD3 ARG 64 3HD ARG 64 27.731 2.953 -8.271 481 HE ARG 64 HE ARG 64 27.720 5.724 -8.767 482 HH11 ARG 64 1HH1 ARG 64 27.819 3.451 -6.132 483 HH12 ARG 64 2HH1 ARG 64 28.688 4.515 -5.076 484 HH21 ARG 64 1HH2 ARG 64 28.864 7.133 -7.386 485 HH22 ARG 64 2HH2 ARG 64 29.281 6.609 -5.790 486 H ASP 65 H ASP 65 26.158 -0.105 -11.112 487 HA ASP 65 HA ASP 65 28.870 0.056 -11.760 488 HB2 ASP 65 2HB ASP 65 26.967 -2.285 -11.679 489 HB3 ASP 65 3HB ASP 65 28.690 -2.473 -11.993 490 H GLU 66 H GLU 66 26.103 -0.957 -13.735 491 HA GLU 66 HA GLU 66 27.530 -1.726 -16.016 492 HB2 GLU 66 2HB GLU 66 24.769 -0.498 -15.921 493 HB3 GLU 66 3HB GLU 66 25.432 -1.477 -17.222 494 HG2 GLU 66 2HG GLU 66 25.062 -3.413 -16.141 495 HG3 GLU 66 3HG GLU 66 25.440 -2.729 -14.561 496 H CYS 67 H CYS 67 26.132 1.414 -15.129 497 HA CYS 67 HA CYS 67 26.757 2.797 -17.469 498 HB2 CYS 67 2HB CYS 67 26.515 3.765 -14.617 499 HB3 CYS 67 3HB CYS 67 26.691 4.845 -15.995 500 HG CYS 67 HG CYS 67 23.961 4.111 -14.752 501 H GLN 68 H GLN 68 28.661 2.322 -14.519 502 HA GLN 68 HA GLN 68 30.848 3.931 -15.331 503 HB2 GLN 68 2HB GLN 68 31.001 1.612 -13.411 504 HB3 GLN 68 3HB GLN 68 32.004 3.056 -13.445 505 HG2 GLN 68 2HG GLN 68 29.357 3.943 -13.159 506 HG3 GLN 68 3HG GLN 68 29.553 2.583 -12.054 507 HE21 GLN 68 1HE2 GLN 68 31.341 5.459 -13.120 508 HE22 GLN 68 2HE2 GLN 68 31.888 5.912 -11.545 509 H ALA 69 H ALA 69 29.976 0.597 -15.875 510 HA ALA 69 HA ALA 69 32.564 -0.184 -16.855 511 HB1 ALA 69 1HB ALA 69 31.484 -2.283 -17.452 512 HB2 ALA 69 2HB ALA 69 31.066 -1.809 -15.806 513 HB3 ALA 69 3HB ALA 69 29.903 -1.580 -17.112 514 H TYR 70 H TYR 70 30.067 1.645 -18.118 515 HA TYR 70 HA TYR 70 30.564 0.834 -20.885 516 HB2 TYR 70 2HB TYR 70 28.546 2.768 -19.726 517 HB3 TYR 70 3HB TYR 70 28.680 2.348 -21.431 518 HD1 TYR 70 HD1 TYR 70 29.293 -0.643 -20.883 519 HD2 TYR 70 HD2 TYR 70 26.279 2.013 -19.479 520 HE1 TYR 70 HE1 TYR 70 27.782 -2.552 -20.532 521 HE2 TYR 70 HE2 TYR 70 24.761 0.111 -19.123 522 HH TYR 70 HH TYR 70 24.682 -2.428 -20.316 523 H ARG 71 H ARG 71 30.899 3.589 -18.713 524 HA ARG 71 HA ARG 71 32.759 4.794 -20.636 525 HB2 ARG 71 2HB ARG 71 31.851 7.037 -20.109 526 HB3 ARG 71 3HB ARG 71 30.684 6.005 -20.924 527 HG2 ARG 71 2HG ARG 71 29.235 6.353 -19.293 528 HG3 ARG 71 3HG ARG 71 30.359 5.642 -18.133 529 HD2 ARG 71 2HD ARG 71 31.492 8.006 -18.265 530 HD3 ARG 71 3HD ARG 71 29.897 8.505 -18.829 531 HE ARG 71 HE ARG 71 29.681 6.961 -16.466 532 HH11 ARG 71 1HH1 ARG 71 30.601 10.117 -17.611 533 HH12 ARG 71 2HH1 ARG 71 30.212 10.914 -16.123 534 HH21 ARG 71 1HH2 ARG 71 29.166 7.998 -14.501 535 HH22 ARG 71 2HH2 ARG 71 29.397 9.708 -14.354 536 H HIS 72 H HIS 72 33.581 3.274 -18.529 537 HA HIS 72 HA HIS 72 35.363 4.948 -17.183 538 HB2 HIS 72 2HB HIS 72 32.867 5.175 -16.047 539 HB3 HIS 72 3HB HIS 72 33.631 3.948 -15.040 540 HD1 HIS 72 HD1 HIS 72 34.035 7.538 -16.107 541 HD2 HIS 72 HD2 HIS 72 35.552 4.883 -13.295 542 HE1 HIS 72 HE1 HIS 72 35.404 8.939 -14.530 543 H ASN 73 H ASN 73 35.288 2.433 -18.557 544 HA ASN 73 HA ASN 73 36.610 0.795 -16.527 545 HB2 ASN 73 2HB ASN 73 34.530 -0.288 -16.509 546 HB3 ASN 73 3HB ASN 73 34.295 -0.065 -18.241 547 HD21 ASN 73 1HD2 ASN 73 36.680 -1.548 -16.066 548 HD22 ASN 73 2HD2 ASN 73 36.842 -3.012 -16.969 Start of MODEL 4 1 H1 MET 1 H MET 1 0.383 3.415 -4.616 2 HA MET 1 HA MET 1 0.861 1.354 -2.565 3 HB2 MET 1 2HB MET 1 0.740 0.578 -4.996 4 HB3 MET 1 3HB MET 1 2.245 1.454 -5.240 5 HG2 MET 1 2HG MET 1 3.211 -0.486 -4.719 6 HG3 MET 1 3HG MET 1 2.852 -0.030 -3.055 7 HE1 MET 1 3HE MET 1 2.692 -3.296 -2.589 8 HE2 MET 1 1HE MET 1 2.390 -3.865 -4.231 9 HE3 MET 1 2HE MET 1 3.602 -2.618 -3.940 10 H GLY 2 H GLY 2 1.313 4.138 -2.188 11 HA2 GLY 2 2HA GLY 2 2.928 5.506 -1.296 12 HA3 GLY 2 3HA GLY 2 3.955 4.083 -1.193 13 H SER 3 H SER 3 5.859 4.702 -2.006 14 HA SER 3 HA SER 3 5.858 6.060 -4.621 15 HB2 SER 3 2HB SER 3 8.382 6.199 -3.176 16 HB3 SER 3 3HB SER 3 7.411 7.500 -3.865 17 HG SER 3 HG SER 3 7.350 6.396 -1.291 18 H TRP 4 H TRP 4 5.744 3.163 -4.032 19 HA TRP 4 HA TRP 4 8.342 2.119 -4.719 20 HB2 TRP 4 2HB TRP 4 6.896 0.808 -3.273 21 HB3 TRP 4 3HB TRP 4 5.637 0.781 -4.505 22 HD1 TRP 4 HD1 TRP 4 6.289 -0.630 -6.813 23 HE1 TRP 4 HE1 TRP 4 7.681 -2.782 -7.047 24 HE3 TRP 4 HE3 TRP 4 8.761 -0.487 -2.341 25 HZ2 TRP 4 HZ2 TRP 4 9.576 -4.228 -5.535 26 HZ3 TRP 4 HZ3 TRP 4 10.346 -2.293 -1.812 27 HH2 TRP 4 HH2 TRP 4 10.744 -4.124 -3.377 28 H ALA 5 H ALA 5 5.154 2.129 -6.323 29 HA ALA 5 HA ALA 5 5.884 1.030 -8.744 30 HB1 ALA 5 1HB ALA 5 3.663 1.287 -8.825 31 HB2 ALA 5 2HB ALA 5 3.694 2.706 -7.777 32 HB3 ALA 5 3HB ALA 5 4.019 2.877 -9.502 33 H GLU 6 H GLU 6 5.975 4.454 -7.794 34 HA GLU 6 HA GLU 6 6.863 5.480 -10.244 35 HB2 GLU 6 2HB GLU 6 6.748 6.423 -7.452 36 HB3 GLU 6 3HB GLU 6 7.967 7.201 -8.451 37 HG2 GLU 6 2HG GLU 6 5.074 6.981 -9.232 38 HG3 GLU 6 3HG GLU 6 5.754 8.357 -8.366 39 H PHE 7 H PHE 7 8.672 4.326 -7.425 40 HA PHE 7 HA PHE 7 11.238 4.977 -8.379 41 HB2 PHE 7 2HB PHE 7 10.102 3.448 -6.172 42 HB3 PHE 7 3HB PHE 7 11.592 2.735 -6.782 43 HD1 PHE 7 HD1 PHE 7 10.476 6.268 -6.357 44 HD2 PHE 7 HD2 PHE 7 13.318 3.260 -5.363 45 HE1 PHE 7 HE1 PHE 7 11.781 7.925 -5.089 46 HE2 PHE 7 HE2 PHE 7 14.627 4.911 -4.092 47 HZ PHE 7 HZ PHE 7 13.858 7.246 -3.953 48 H LYS 8 H LYS 8 9.304 2.023 -8.643 49 HA LYS 8 HA LYS 8 11.275 0.485 -9.969 50 HB2 LYS 8 2HB LYS 8 8.277 0.256 -9.770 51 HB3 LYS 8 3HB LYS 8 9.238 -0.888 -10.699 52 HG2 LYS 8 2HG LYS 8 9.570 -0.322 -7.759 53 HG3 LYS 8 3HG LYS 8 8.721 -1.707 -8.449 54 HD2 LYS 8 2HD LYS 8 11.340 -1.481 -9.606 55 HD3 LYS 8 3HD LYS 8 11.456 -1.493 -7.844 56 HE2 LYS 8 2HE LYS 8 10.717 -3.627 -7.678 57 HE3 LYS 8 3HE LYS 8 9.616 -3.465 -9.046 58 HZ1 LYS 8 3HZ LYS 8 12.329 -4.421 -8.979 59 HZ2 LYS 8 1HZ LYS 8 12.047 -3.294 -10.209 60 HZ3 LYS 8 2HZ LYS 8 11.111 -4.700 -10.121 61 H GLN 9 H GLN 9 8.640 2.539 -11.127 62 HA GLN 9 HA GLN 9 8.850 1.918 -13.856 63 HB2 GLN 9 2HB GLN 9 7.189 3.475 -12.363 64 HB3 GLN 9 3HB GLN 9 8.131 4.700 -13.201 65 HG2 GLN 9 2HG GLN 9 7.014 2.466 -14.801 66 HG3 GLN 9 3HG GLN 9 5.909 3.707 -14.213 67 HE21 GLN 9 1HE2 GLN 9 6.843 6.003 -14.552 68 HE22 GLN 9 2HE2 GLN 9 7.467 6.314 -16.132 69 H ARG 10 H ARG 10 10.105 4.790 -12.146 70 HA ARG 10 HA ARG 10 11.588 5.831 -14.252 71 HB2 ARG 10 2HB ARG 10 11.217 7.191 -12.335 72 HB3 ARG 10 3HB ARG 10 11.972 6.014 -11.268 73 HG2 ARG 10 2HG ARG 10 13.769 6.933 -13.356 74 HG3 ARG 10 3HG ARG 10 13.168 8.246 -12.342 75 HD2 ARG 10 2HD ARG 10 13.752 6.474 -10.432 76 HD3 ARG 10 3HD ARG 10 14.908 5.950 -11.655 77 HE ARG 10 HE ARG 10 16.152 7.787 -11.153 78 HH11 ARG 10 1HH1 ARG 10 12.855 8.411 -10.228 79 HH12 ARG 10 2HH1 ARG 10 13.205 9.959 -9.534 80 HH21 ARG 10 1HH2 ARG 10 16.626 9.824 -10.243 81 HH22 ARG 10 2HH2 ARG 10 15.351 10.762 -9.544 82 H LEU 11 H LEU 11 12.536 3.495 -11.766 83 HA LEU 11 HA LEU 11 15.248 3.297 -12.461 84 HB2 LEU 11 2HB LEU 11 13.307 1.585 -10.997 85 HB3 LEU 11 3HB LEU 11 14.842 0.871 -11.486 86 HG LEU 11 HG LEU 11 14.747 3.418 -9.901 87 HD11 LEU 11 1HD1 LEU 11 14.974 0.697 -8.655 88 HD12 LEU 11 2HD1 LEU 11 13.427 1.530 -8.809 89 HD13 LEU 11 3HD1 LEU 11 14.730 2.257 -7.868 90 HD21 LEU 11 3HD2 LEU 11 16.943 2.240 -9.097 91 HD22 LEU 11 1HD2 LEU 11 16.903 3.111 -10.629 92 HD23 LEU 11 2HD2 LEU 11 16.777 1.352 -10.612 93 H ALA 12 H ALA 12 12.399 1.566 -13.630 94 HA ALA 12 HA ALA 12 13.736 -0.338 -15.208 95 HB1 ALA 12 1HB ALA 12 11.442 -0.134 -16.535 96 HB2 ALA 12 2HB ALA 12 11.555 -0.926 -14.963 97 HB3 ALA 12 3HB ALA 12 10.977 0.736 -15.072 98 H ALA 13 H ALA 13 12.447 2.872 -16.014 99 HA ALA 13 HA ALA 13 13.101 2.812 -18.752 100 HB1 ALA 13 1HB ALA 13 13.165 5.446 -18.229 101 HB2 ALA 13 2HB ALA 13 11.671 4.524 -18.405 102 HB3 ALA 13 3HB ALA 13 12.307 4.874 -16.798 103 H ILE 14 H ILE 14 14.885 3.982 -15.924 104 HA ILE 14 HA ILE 14 17.066 5.085 -17.322 105 HB ILE 14 HB ILE 14 16.886 3.981 -14.520 106 HG12 ILE 14 2HG1 ILE 14 17.028 6.839 -15.496 107 HG13 ILE 14 3HG1 ILE 14 15.524 6.006 -15.116 108 HG21 ILE 14 1HG2 ILE 14 19.130 3.923 -14.625 109 HG22 ILE 14 2HG2 ILE 14 19.191 4.946 -16.060 110 HG23 ILE 14 3HG2 ILE 14 19.001 5.675 -14.465 111 HD11 ILE 14 3HD1 ILE 14 17.731 6.816 -13.260 112 HD12 ILE 14 1HD1 ILE 14 16.027 7.270 -13.219 113 HD13 ILE 14 2HD1 ILE 14 16.512 5.625 -12.806 114 H LYS 15 H LYS 15 16.472 1.843 -16.044 115 HA LYS 15 HA LYS 15 19.040 0.797 -16.587 116 HB2 LYS 15 2HB LYS 15 16.746 -0.121 -15.347 117 HB3 LYS 15 3HB LYS 15 16.857 -1.138 -16.777 118 HG2 LYS 15 2HG LYS 15 19.443 -1.002 -15.659 119 HG3 LYS 15 3HG LYS 15 18.314 -1.308 -14.337 120 HD2 LYS 15 2HD LYS 15 18.196 -2.868 -16.900 121 HD3 LYS 15 3HD LYS 15 19.279 -3.331 -15.585 122 HE2 LYS 15 2HE LYS 15 17.044 -3.066 -14.174 123 HE3 LYS 15 3HE LYS 15 16.315 -3.424 -15.739 124 HZ1 LYS 15 3HZ LYS 15 17.640 -5.445 -15.849 125 HZ2 LYS 15 1HZ LYS 15 16.673 -5.435 -14.461 126 HZ3 LYS 15 2HZ LYS 15 18.327 -5.103 -14.341 127 H THR 16 H THR 16 16.024 0.808 -18.447 128 HA THR 16 HA THR 16 16.873 -0.779 -20.587 129 HB THR 16 HB THR 16 14.888 1.503 -20.620 130 HG1 THR 16 HG1 THR 16 13.381 -0.109 -20.223 131 HG21 THR 16 3HG2 THR 16 15.107 1.180 -22.859 132 HG22 THR 16 1HG2 THR 16 14.022 -0.170 -22.530 133 HG23 THR 16 2HG2 THR 16 15.758 -0.448 -22.671 134 H ARG 17 H ARG 17 16.772 2.783 -20.376 135 HA ARG 17 HA ARG 17 18.075 3.245 -22.825 136 HB2 ARG 17 2HB ARG 17 17.552 4.886 -20.379 137 HB3 ARG 17 3HB ARG 17 18.647 5.504 -21.608 138 HG2 ARG 17 2HG ARG 17 16.789 6.373 -22.500 139 HG3 ARG 17 3HG ARG 17 16.538 4.744 -23.130 140 HD2 ARG 17 2HD ARG 17 15.085 4.192 -21.314 141 HD3 ARG 17 3HD ARG 17 15.479 5.692 -20.474 142 HE ARG 17 HE ARG 17 13.961 6.791 -21.792 143 HH11 ARG 17 1HH1 ARG 17 14.637 3.669 -23.176 144 HH12 ARG 17 2HH1 ARG 17 13.382 3.780 -24.366 145 HH21 ARG 17 1HH2 ARG 17 12.307 6.949 -23.354 146 HH22 ARG 17 2HH2 ARG 17 12.058 5.647 -24.467 147 H CYS 18 H CYS 18 19.281 2.659 -19.590 148 HA CYS 18 HA CYS 18 21.966 3.451 -20.102 149 HB2 CYS 18 2HB CYS 18 21.272 3.406 -17.828 150 HB3 CYS 18 3HB CYS 18 20.693 1.750 -17.962 151 HG CYS 18 HG CYS 18 23.992 2.650 -18.127 152 H GLN 19 H GLN 19 20.205 0.417 -20.349 153 HA GLN 19 HA GLN 19 22.502 -1.203 -20.821 154 HB2 GLN 19 2HB GLN 19 19.573 -1.676 -21.388 155 HB3 GLN 19 3HB GLN 19 20.826 -2.892 -21.593 156 HG2 GLN 19 2HG GLN 19 20.828 -1.633 -18.960 157 HG3 GLN 19 3HG GLN 19 19.343 -2.504 -19.339 158 HE21 GLN 19 1HE2 GLN 19 22.745 -3.092 -20.142 159 HE22 GLN 19 2HE2 GLN 19 22.808 -4.682 -19.468 160 H ALA 20 H ALA 20 20.201 0.494 -22.878 161 HA ALA 20 HA ALA 20 21.303 -0.578 -25.315 162 HB1 ALA 20 1HB ALA 20 19.104 -0.093 -25.666 163 HB2 ALA 20 2HB ALA 20 19.132 1.322 -24.613 164 HB3 ALA 20 3HB ALA 20 19.823 1.415 -26.233 165 H LEU 21 H LEU 21 21.729 2.277 -23.350 166 HA LEU 21 HA LEU 21 23.100 4.089 -23.517 167 HB2 LEU 21 2HB LEU 21 24.717 1.956 -24.883 168 HB3 LEU 21 3HB LEU 21 25.347 3.576 -24.590 169 HG LEU 21 HG LEU 21 24.401 2.704 -22.111 170 HD11 LEU 21 1HD1 LEU 21 26.208 0.558 -23.121 171 HD12 LEU 21 2HD1 LEU 21 24.469 0.421 -23.377 172 HD13 LEU 21 3HD1 LEU 21 25.111 0.551 -21.740 173 HD21 LEU 21 3HD2 LEU 21 27.228 2.657 -23.161 174 HD22 LEU 21 1HD2 LEU 21 26.722 2.800 -21.477 175 HD23 LEU 21 2HD2 LEU 21 26.380 4.104 -22.614 176 H GLY 22 H GLY 22 21.119 3.621 -25.682 177 HA2 GLY 22 2HA GLY 22 22.443 5.229 -27.780 178 HA3 GLY 22 3HA GLY 22 21.230 4.009 -28.141 179 H GLY 23 H GLY 23 19.835 4.990 -25.564 180 HA2 GLY 23 2HA GLY 23 17.830 6.487 -26.731 181 HA3 GLY 23 3HA GLY 23 18.186 6.491 -25.010 182 H SER 24 H SER 24 20.783 7.637 -25.170 183 HA SER 24 HA SER 24 20.926 10.004 -26.640 184 HB2 SER 24 2HB SER 24 19.280 10.150 -24.186 185 HB3 SER 24 3HB SER 24 20.473 11.434 -24.381 186 HG SER 24 HG SER 24 18.127 11.061 -25.675 187 H GLU 25 H GLU 25 23.034 10.367 -26.654 188 HA GLU 25 HA GLU 25 24.896 9.192 -24.980 189 HB2 GLU 25 2HB GLU 25 26.453 11.027 -25.813 190 HB3 GLU 25 3HB GLU 25 25.678 10.033 -27.039 191 HG2 GLU 25 2HG GLU 25 24.749 11.804 -27.981 192 HG3 GLU 25 3HG GLU 25 24.050 12.320 -26.447 193 H ALA 26 H ALA 26 23.064 12.113 -24.542 194 HA ALA 26 HA ALA 26 24.690 13.034 -22.327 195 HB1 ALA 26 1HB ALA 26 22.466 14.106 -23.923 196 HB2 ALA 26 2HB ALA 26 22.477 14.587 -22.226 197 HB3 ALA 26 3HB ALA 26 23.877 14.920 -23.245 198 H GLU 27 H GLU 27 21.664 11.342 -22.848 199 HA GLU 27 HA GLU 27 20.443 11.562 -20.392 200 HB2 GLU 27 2HB GLU 27 20.397 9.646 -22.599 201 HB3 GLU 27 3HB GLU 27 20.021 8.913 -21.046 202 HG2 GLU 27 2HG GLU 27 18.369 10.857 -20.759 203 HG3 GLU 27 3HG GLU 27 18.570 11.090 -22.494 204 H CYS 28 H CYS 28 23.229 9.640 -21.287 205 HA CYS 28 HA CYS 28 23.397 7.849 -19.205 206 HB2 CYS 28 2HB CYS 28 25.719 9.366 -20.414 207 HB3 CYS 28 3HB CYS 28 25.805 7.821 -19.577 208 HG CYS 28 HG CYS 28 25.512 6.388 -21.677 209 H ALA 29 H ALA 29 24.492 11.222 -19.262 210 HA ALA 29 HA ALA 29 25.664 11.298 -16.726 211 HB1 ALA 29 1HB ALA 29 24.677 13.829 -17.036 212 HB2 ALA 29 2HB ALA 29 26.201 13.239 -17.700 213 HB3 ALA 29 3HB ALA 29 24.748 13.248 -18.700 214 H ALA 30 H ALA 30 22.350 12.163 -17.707 215 HA ALA 30 HA ALA 30 21.363 12.900 -15.221 216 HB1 ALA 30 1HB ALA 30 20.311 12.486 -17.784 217 HB2 ALA 30 2HB ALA 30 19.346 11.488 -16.696 218 HB3 ALA 30 3HB ALA 30 19.507 13.218 -16.395 219 H PHE 31 H PHE 31 21.692 9.694 -16.654 220 HA PHE 31 HA PHE 31 20.243 8.278 -14.691 221 HB2 PHE 31 2HB PHE 31 22.468 7.375 -16.529 222 HB3 PHE 31 3HB PHE 31 21.494 6.287 -15.545 223 HD1 PHE 31 HD1 PHE 31 18.836 7.646 -15.887 224 HD2 PHE 31 HD2 PHE 31 21.889 6.660 -18.684 225 HE1 PHE 31 HE1 PHE 31 17.153 7.533 -17.678 226 HE2 PHE 31 HE2 PHE 31 20.211 6.546 -20.480 227 HZ PHE 31 HZ PHE 31 17.840 6.983 -19.979 228 H GLU 32 H GLU 32 23.730 8.880 -15.057 229 HA GLU 32 HA GLU 32 24.633 7.482 -12.839 230 HB2 GLU 32 2HB GLU 32 25.956 8.704 -14.697 231 HB3 GLU 32 3HB GLU 32 25.841 10.111 -13.650 232 HG2 GLU 32 2HG GLU 32 26.736 8.258 -11.900 233 HG3 GLU 32 3HG GLU 32 27.480 7.691 -13.394 234 H LYS 33 H LYS 33 23.722 10.918 -13.043 235 HA LYS 33 HA LYS 33 24.096 11.456 -10.292 236 HB2 LYS 33 2HB LYS 33 23.091 12.864 -12.634 237 HB3 LYS 33 3HB LYS 33 22.187 13.270 -11.181 238 HG2 LYS 33 2HG LYS 33 23.922 14.851 -11.344 239 HG3 LYS 33 3HG LYS 33 24.404 13.727 -10.071 240 HD2 LYS 33 2HD LYS 33 25.471 12.568 -12.312 241 HD3 LYS 33 3HD LYS 33 25.650 14.290 -12.658 242 HE2 LYS 33 2HE LYS 33 27.604 13.856 -11.526 243 HE3 LYS 33 3HE LYS 33 26.558 14.385 -10.209 244 HZ1 LYS 33 3HZ LYS 33 27.798 12.378 -9.645 245 HZ2 LYS 33 1HZ LYS 33 27.088 11.556 -10.942 246 HZ3 LYS 33 2HZ LYS 33 26.132 12.085 -9.652 247 H GLU 34 H GLU 34 21.110 10.946 -12.175 248 HA GLU 34 HA GLU 34 19.267 11.082 -10.137 249 HB2 GLU 34 2HB GLU 34 19.338 9.453 -12.661 250 HB3 GLU 34 3HB GLU 34 17.978 9.342 -11.553 251 HG2 GLU 34 2HG GLU 34 17.426 11.624 -11.858 252 HG3 GLU 34 3HG GLU 34 18.935 11.942 -12.712 253 H ILE 35 H ILE 35 21.034 8.200 -11.241 254 HA ILE 35 HA ILE 35 19.915 6.396 -9.406 255 HB ILE 35 HB ILE 35 22.578 6.369 -10.820 256 HG12 ILE 35 2HG1 ILE 35 20.474 6.175 -12.173 257 HG13 ILE 35 3HG1 ILE 35 21.539 4.779 -12.295 258 HG21 ILE 35 1HG2 ILE 35 22.267 3.807 -10.181 259 HG22 ILE 35 2HG2 ILE 35 23.129 4.940 -9.141 260 HG23 ILE 35 3HG2 ILE 35 21.451 4.525 -8.792 261 HD11 ILE 35 3HD1 ILE 35 19.117 4.942 -10.518 262 HD12 ILE 35 1HD1 ILE 35 19.161 4.180 -12.107 263 HD13 ILE 35 2HD1 ILE 35 20.138 3.530 -10.790 264 H ALA 36 H ALA 36 22.828 8.406 -9.216 265 HA ALA 36 HA ALA 36 23.902 7.467 -6.845 266 HB1 ALA 36 1HB ALA 36 25.252 9.308 -6.870 267 HB2 ALA 36 2HB ALA 36 24.679 9.337 -8.538 268 HB3 ALA 36 3HB ALA 36 23.946 10.399 -7.335 269 H ALA 37 H ALA 37 21.540 10.100 -7.271 270 HA ALA 37 HA ALA 37 21.200 10.592 -4.503 271 HB1 ALA 37 1HB ALA 37 20.554 12.007 -6.630 272 HB2 ALA 37 2HB ALA 37 19.005 11.190 -6.419 273 HB3 ALA 37 3HB ALA 37 19.668 12.174 -5.114 274 H PHE 38 H PHE 38 19.611 8.447 -6.786 275 HA PHE 38 HA PHE 38 17.363 7.763 -5.274 276 HB2 PHE 38 2HB PHE 38 18.517 6.948 -7.704 277 HB3 PHE 38 3HB PHE 38 18.369 5.485 -6.736 278 HD1 PHE 38 HD2 PHE 38 16.190 8.496 -6.953 279 HD2 PHE 38 HD1 PHE 38 16.576 4.303 -7.572 280 HE1 PHE 38 HE2 PHE 38 13.801 8.365 -7.526 281 HE2 PHE 38 HE1 PHE 38 14.187 4.165 -8.147 282 HZ PHE 38 HZ PHE 38 12.796 6.197 -8.124 283 H GLU 39 H GLU 39 20.488 6.062 -5.514 284 HA GLU 39 HA GLU 39 19.906 4.139 -3.539 285 HB2 GLU 39 2HB GLU 39 22.351 3.741 -3.504 286 HB3 GLU 39 3HB GLU 39 21.688 3.772 -5.132 287 HG2 GLU 39 2HG GLU 39 22.476 6.084 -5.390 288 HG3 GLU 39 3HG GLU 39 23.183 6.006 -3.777 289 H SER 40 H SER 40 21.456 7.307 -3.383 290 HA SER 40 HA SER 40 22.292 7.160 -0.696 291 HB2 SER 40 2HB SER 40 23.297 8.875 -1.938 292 HB3 SER 40 3HB SER 40 21.757 9.435 -2.589 293 HG SER 40 HG SER 40 22.444 10.854 -0.992 294 H GLU 41 H GLU 41 19.239 7.968 -2.185 295 HA GLU 41 HA GLU 41 18.089 9.037 0.233 296 HB2 GLU 41 2HB GLU 41 17.219 8.628 -2.562 297 HB3 GLU 41 3HB GLU 41 15.947 8.551 -1.350 298 HG2 GLU 41 2HG GLU 41 16.798 10.768 -0.498 299 HG3 GLU 41 3HG GLU 41 17.789 10.843 -1.953 300 H LEU 42 H LEU 42 18.088 5.980 -1.494 301 HA LEU 42 HA LEU 42 16.030 4.748 0.025 302 HB2 LEU 42 2HB LEU 42 18.260 3.629 -1.656 303 HB3 LEU 42 3HB LEU 42 17.043 2.621 -0.875 304 HG LEU 42 HG LEU 42 16.158 4.807 -2.703 305 HD11 LEU 42 1HD1 LEU 42 17.217 2.129 -3.595 306 HD12 LEU 42 2HD1 LEU 42 17.890 3.712 -3.984 307 HD13 LEU 42 3HD1 LEU 42 16.305 3.252 -4.605 308 HD21 LEU 42 3HD2 LEU 42 14.477 2.928 -3.214 309 HD22 LEU 42 1HD2 LEU 42 14.374 3.741 -1.652 310 HD23 LEU 42 2HD2 LEU 42 15.127 2.151 -1.771 311 H GLN 43 H GLN 43 19.499 5.053 0.416 312 HA GLN 43 HA GLN 43 19.854 3.092 2.405 313 HB2 GLN 43 2HB GLN 43 21.993 3.996 2.731 314 HB3 GLN 43 3HB GLN 43 21.634 4.338 1.044 315 HG2 GLN 43 2HG GLN 43 22.218 6.431 1.485 316 HG3 GLN 43 3HG GLN 43 20.688 6.566 2.349 317 HE21 GLN 43 1HE2 GLN 43 21.436 8.027 3.842 318 HE22 GLN 43 2HE2 GLN 43 22.577 7.616 5.072 319 H ALA 44 H ALA 44 18.446 6.224 2.492 320 HA ALA 44 HA ALA 44 18.743 6.522 5.365 321 HB1 ALA 44 1HB ALA 44 18.692 8.386 3.510 322 HB2 ALA 44 2HB ALA 44 16.950 8.278 3.766 323 HB3 ALA 44 3HB ALA 44 18.016 8.677 5.113 324 H TYR 45 H TYR 45 16.531 5.145 3.153 325 HA TYR 45 HA TYR 45 14.182 5.402 4.776 326 HB2 TYR 45 2HB TYR 45 14.899 4.093 2.220 327 HB3 TYR 45 3HB TYR 45 13.575 3.356 3.116 328 HD1 TYR 45 HD2 TYR 45 11.548 4.715 3.648 329 HD2 TYR 45 HD1 TYR 45 14.610 6.149 1.065 330 HE1 TYR 45 HE2 TYR 45 10.002 6.412 2.766 331 HE2 TYR 45 HE1 TYR 45 13.072 7.850 0.176 332 HH TYR 45 HH TYR 45 10.304 7.935 0.038 333 H LYS 46 H LYS 46 16.847 3.215 4.606 334 HA LYS 46 HA LYS 46 15.820 0.863 5.611 335 HB2 LYS 46 2HB LYS 46 18.463 2.206 5.722 336 HB3 LYS 46 3HB LYS 46 18.198 0.897 6.866 337 HG2 LYS 46 2HG LYS 46 17.365 0.231 4.156 338 HG3 LYS 46 3HG LYS 46 19.081 0.625 4.287 339 HD2 LYS 46 2HD LYS 46 17.733 -1.294 6.168 340 HD3 LYS 46 3HD LYS 46 18.412 -1.815 4.624 341 HE2 LYS 46 2HE LYS 46 20.466 -1.836 5.475 342 HE3 LYS 46 3HE LYS 46 20.301 -0.171 6.031 343 HZ1 LYS 46 3HZ LYS 46 20.671 -2.132 7.707 344 HZ2 LYS 46 1HZ LYS 46 18.990 -2.283 7.579 345 HZ3 LYS 46 2HZ LYS 46 19.671 -0.826 8.103 346 H GLY 47 H GLY 47 14.348 0.842 7.218 347 HA2 GLY 47 2HA GLY 47 15.219 1.919 9.819 348 HA3 GLY 47 3HA GLY 47 13.605 2.268 9.220 349 H LYS 48 H LYS 48 15.488 0.155 11.032 350 HA LYS 48 HA LYS 48 15.119 -1.863 12.026 351 HB2 LYS 48 2HB LYS 48 13.091 -0.284 12.691 352 HB3 LYS 48 3HB LYS 48 12.171 -1.475 11.781 353 HG2 LYS 48 2HG LYS 48 12.034 -2.336 13.895 354 HG3 LYS 48 3HG LYS 48 13.458 -3.182 13.285 355 HD2 LYS 48 2HD LYS 48 14.719 -1.104 14.291 356 HD3 LYS 48 3HD LYS 48 13.263 -0.976 15.281 357 HE2 LYS 48 2HE LYS 48 13.912 -3.671 15.363 358 HE3 LYS 48 3HE LYS 48 15.470 -2.851 15.452 359 HZ1 LYS 48 3HZ LYS 48 14.742 -1.626 17.345 360 HZ2 LYS 48 1HZ LYS 48 14.413 -3.260 17.638 361 HZ3 LYS 48 2HZ LYS 48 13.160 -2.210 17.202 362 H GLY 49 H GLY 49 15.736 -2.375 9.528 363 HA2 GLY 49 2HA GLY 49 15.582 -4.488 8.399 364 HA3 GLY 49 3HA GLY 49 13.868 -4.525 8.786 365 H ASN 50 H ASN 50 12.482 -2.931 7.692 366 HA ASN 50 HA ASN 50 11.617 -2.161 5.727 367 HB2 ASN 50 2HB ASN 50 14.197 -0.799 6.139 368 HB3 ASN 50 3HB ASN 50 13.587 -0.732 4.488 369 HD21 ASN 50 1HD2 ASN 50 12.640 1.140 4.168 370 HD22 ASN 50 2HD2 ASN 50 11.557 1.933 5.256 371 HA PRO 51 HA PRO 51 13.548 -5.546 3.230 372 HB2 PRO 51 2HB PRO 51 11.188 -6.738 2.613 373 HB3 PRO 51 3HB PRO 51 12.081 -7.086 4.098 374 HG2 PRO 51 2HG PRO 51 9.731 -5.279 3.680 375 HG3 PRO 51 3HG PRO 51 10.040 -6.426 4.997 376 HD2 PRO 51 2HD PRO 51 10.462 -3.763 5.255 377 HD3 PRO 51 3HD PRO 51 11.449 -4.972 6.100 378 H GLU 52 H GLU 52 11.212 -3.075 2.708 379 HA GLU 52 HA GLU 52 10.720 -3.524 -0.053 380 HB2 GLU 52 2HB GLU 52 9.890 -1.178 -0.041 381 HB3 GLU 52 3HB GLU 52 9.181 -2.178 1.218 382 HG2 GLU 52 2HG GLU 52 11.251 -1.145 2.575 383 HG3 GLU 52 3HG GLU 52 10.956 0.162 1.429 384 H VAL 53 H VAL 53 12.970 -1.415 1.701 385 HA VAL 53 HA VAL 53 14.100 -0.145 -0.528 386 HB VAL 53 HB VAL 53 15.556 -0.785 2.036 387 HG11 VAL 53 1HG1 VAL 53 16.303 0.600 -0.305 388 HG12 VAL 53 2HG1 VAL 53 16.067 1.810 0.959 389 HG13 VAL 53 3HG1 VAL 53 17.189 0.473 1.215 390 HG21 VAL 53 3HG2 VAL 53 13.483 0.180 2.697 391 HG22 VAL 53 1HG2 VAL 53 14.699 1.455 2.786 392 HG23 VAL 53 2HG2 VAL 53 13.574 1.401 1.428 393 H GLU 54 H GLU 54 14.452 -3.344 0.653 394 HA GLU 54 HA GLU 54 17.024 -4.015 -0.163 395 HB2 GLU 54 2HB GLU 54 14.551 -5.752 -0.256 396 HB3 GLU 54 3HB GLU 54 16.212 -6.328 -0.291 397 HG2 GLU 54 2HG GLU 54 15.134 -4.701 1.985 398 HG3 GLU 54 3HG GLU 54 14.984 -6.456 1.923 399 H ALA 55 H ALA 55 13.993 -4.410 -2.000 400 HA ALA 55 HA ALA 55 15.193 -5.254 -4.392 401 HB1 ALA 55 1HB ALA 55 12.585 -3.769 -4.111 402 HB2 ALA 55 2HB ALA 55 13.073 -4.823 -5.439 403 HB3 ALA 55 3HB ALA 55 12.787 -5.500 -3.836 404 H LEU 56 H LEU 56 13.965 -2.025 -3.501 405 HA LEU 56 HA LEU 56 14.680 -0.651 -5.783 406 HB2 LEU 56 2HB LEU 56 14.863 0.421 -2.973 407 HB3 LEU 56 3HB LEU 56 14.653 1.359 -4.450 408 HG LEU 56 HG LEU 56 12.591 -0.661 -3.668 409 HD11 LEU 56 1HD1 LEU 56 13.312 1.154 -1.827 410 HD12 LEU 56 2HD1 LEU 56 11.653 0.598 -2.047 411 HD13 LEU 56 3HD1 LEU 56 12.176 2.118 -2.770 412 HD21 LEU 56 3HD2 LEU 56 12.927 1.281 -5.709 413 HD22 LEU 56 1HD2 LEU 56 11.579 1.787 -4.690 414 HD23 LEU 56 2HD2 LEU 56 11.566 0.190 -5.440 415 H ARG 57 H ARG 57 16.643 -1.192 -2.867 416 HA ARG 57 HA ARG 57 18.915 0.214 -3.696 417 HB2 ARG 57 2HB ARG 57 18.721 -0.430 -1.404 418 HB3 ARG 57 3HB ARG 57 18.589 -2.132 -1.828 419 HG2 ARG 57 2HG ARG 57 21.055 -0.719 -2.657 420 HG3 ARG 57 3HG ARG 57 20.840 -1.045 -0.936 421 HD2 ARG 57 2HD ARG 57 20.127 -3.384 -2.389 422 HD3 ARG 57 3HD ARG 57 21.687 -2.818 -2.983 423 HE ARG 57 HE ARG 57 21.582 -2.846 -0.136 424 HH11 ARG 57 1HH1 ARG 57 22.003 -4.865 -2.940 425 HH12 ARG 57 2HH1 ARG 57 22.936 -6.061 -2.101 426 HH21 ARG 57 1HH2 ARG 57 22.809 -4.413 0.980 427 HH22 ARG 57 2HH2 ARG 57 23.392 -5.803 0.129 428 H LYS 58 H LYS 58 18.025 -3.189 -4.128 429 HA LYS 58 HA LYS 58 20.379 -4.103 -5.297 430 HB2 LYS 58 2HB LYS 58 17.540 -4.964 -5.309 431 HB3 LYS 58 3HB LYS 58 18.566 -5.622 -6.576 432 HG2 LYS 58 2HG LYS 58 19.951 -5.814 -4.097 433 HG3 LYS 58 3HG LYS 58 18.324 -6.469 -3.896 434 HD2 LYS 58 2HD LYS 58 18.736 -8.234 -5.235 435 HD3 LYS 58 3HD LYS 58 19.685 -7.274 -6.373 436 HE2 LYS 58 2HE LYS 58 21.439 -7.251 -4.437 437 HE3 LYS 58 3HE LYS 58 20.549 -8.665 -3.874 438 HZ1 LYS 58 3HZ LYS 58 21.483 -8.495 -6.666 439 HZ2 LYS 58 1HZ LYS 58 21.111 -9.869 -5.751 440 HZ3 LYS 58 2HZ LYS 58 22.532 -9.006 -5.440 441 H GLU 59 H GLU 59 17.428 -2.959 -6.945 442 HA GLU 59 HA GLU 59 18.374 -3.096 -9.551 443 HB2 GLU 59 2HB GLU 59 16.416 -1.136 -8.343 444 HB3 GLU 59 3HB GLU 59 16.658 -1.366 -10.069 445 HG2 GLU 59 2HG GLU 59 16.173 -3.901 -8.865 446 HG3 GLU 59 3HG GLU 59 14.929 -2.767 -8.341 447 H ALA 60 H ALA 60 18.349 -0.252 -7.400 448 HA ALA 60 HA ALA 60 19.608 1.565 -9.041 449 HB1 ALA 60 1HB ALA 60 18.719 1.635 -6.502 450 HB2 ALA 60 2HB ALA 60 20.461 1.637 -6.221 451 HB3 ALA 60 3HB ALA 60 19.728 2.891 -7.221 452 H ALA 61 H ALA 61 21.166 -0.665 -6.739 453 HA ALA 61 HA ALA 61 23.807 0.039 -7.214 454 HB1 ALA 61 1HB ALA 61 22.867 -1.533 -5.444 455 HB2 ALA 61 2HB ALA 61 22.956 -2.790 -6.679 456 HB3 ALA 61 3HB ALA 61 24.423 -1.963 -6.156 457 H ALA 62 H ALA 62 21.791 -2.346 -8.896 458 HA ALA 62 HA ALA 62 23.744 -3.386 -10.601 459 HB1 ALA 62 1HB ALA 62 21.284 -3.327 -12.003 460 HB2 ALA 62 2HB ALA 62 22.027 -4.678 -11.145 461 HB3 ALA 62 3HB ALA 62 20.926 -3.594 -10.296 462 H ILE 63 H ILE 63 21.505 -0.670 -11.093 463 HA ILE 63 HA ILE 63 22.267 -0.034 -13.709 464 HB ILE 63 HB ILE 63 21.288 1.857 -11.567 465 HG12 ILE 63 2HG1 ILE 63 19.723 0.369 -13.685 466 HG13 ILE 63 3HG1 ILE 63 19.807 -0.105 -11.992 467 HG21 ILE 63 1HG2 ILE 63 21.227 2.123 -14.570 468 HG22 ILE 63 2HG2 ILE 63 20.569 3.273 -13.407 469 HG23 ILE 63 3HG2 ILE 63 22.309 2.995 -13.484 470 HD11 ILE 63 3HD1 ILE 63 18.666 2.465 -13.063 471 HD12 ILE 63 1HD1 ILE 63 17.753 1.084 -12.454 472 HD13 ILE 63 2HD1 ILE 63 18.772 2.020 -11.360 473 H ARG 64 H ARG 64 23.514 1.131 -10.599 474 HA ARG 64 HA ARG 64 25.310 3.031 -11.593 475 HB2 ARG 64 2HB ARG 64 24.558 2.444 -9.142 476 HB3 ARG 64 3HB ARG 64 25.986 1.418 -9.165 477 HG2 ARG 64 2HG ARG 64 27.135 3.624 -10.037 478 HG3 ARG 64 3HG ARG 64 25.772 4.378 -9.207 479 HD2 ARG 64 2HD ARG 64 26.596 2.555 -7.362 480 HD3 ARG 64 3HD ARG 64 28.124 3.002 -8.120 481 HE ARG 64 HE ARG 64 26.494 4.635 -6.411 482 HH11 ARG 64 1HH1 ARG 64 28.877 4.651 -8.949 483 HH12 ARG 64 2HH1 ARG 64 29.474 6.229 -8.556 484 HH21 ARG 64 1HH2 ARG 64 27.272 6.713 -5.884 485 HH22 ARG 64 2HH2 ARG 64 28.561 7.401 -6.813 486 H ASP 65 H ASP 65 25.796 -0.406 -10.838 487 HA ASP 65 HA ASP 65 28.523 -0.541 -11.435 488 HB2 ASP 65 2HB ASP 65 26.325 -2.601 -11.518 489 HB3 ASP 65 3HB ASP 65 27.994 -3.006 -11.909 490 H GLU 66 H GLU 66 25.689 -0.999 -13.513 491 HA GLU 66 HA GLU 66 27.050 -1.774 -15.836 492 HB2 GLU 66 2HB GLU 66 24.479 -0.193 -15.693 493 HB3 GLU 66 3HB GLU 66 25.030 -1.185 -17.036 494 HG2 GLU 66 2HG GLU 66 24.921 -2.703 -14.584 495 HG3 GLU 66 3HG GLU 66 23.368 -1.957 -14.955 496 H CYS 67 H CYS 67 25.973 1.447 -14.782 497 HA CYS 67 HA CYS 67 26.886 2.894 -16.982 498 HB2 CYS 67 2HB CYS 67 26.706 3.775 -14.093 499 HB3 CYS 67 3HB CYS 67 26.869 4.853 -15.474 500 HG CYS 67 HG CYS 67 24.388 4.668 -16.388 501 H GLN 68 H GLN 68 28.569 1.886 -14.049 502 HA GLN 68 HA GLN 68 30.957 3.334 -14.579 503 HB2 GLN 68 2HB GLN 68 30.426 0.938 -12.817 504 HB3 GLN 68 3HB GLN 68 31.953 1.809 -12.859 505 HG2 GLN 68 2HG GLN 68 31.078 3.669 -11.825 506 HG3 GLN 68 3HG GLN 68 29.427 3.295 -12.316 507 HE21 GLN 68 1HE2 GLN 68 31.659 3.187 -9.827 508 HE22 GLN 68 2HE2 GLN 68 30.801 2.144 -8.751 509 H ALA 69 H ALA 69 29.770 0.170 -15.473 510 HA ALA 69 HA ALA 69 32.313 -0.749 -16.470 511 HB1 ALA 69 1HB ALA 69 31.268 -2.763 -16.934 512 HB2 ALA 69 2HB ALA 69 30.354 -2.164 -15.549 513 HB3 ALA 69 3HB ALA 69 29.693 -2.007 -17.177 514 H TYR 70 H TYR 70 30.066 1.420 -17.591 515 HA TYR 70 HA TYR 70 30.582 0.796 -20.415 516 HB2 TYR 70 2HB TYR 70 28.543 2.645 -19.160 517 HB3 TYR 70 3HB TYR 70 28.742 2.391 -20.890 518 HD1 TYR 70 HD1 TYR 70 29.285 -0.642 -20.646 519 HD2 TYR 70 HD2 TYR 70 26.269 1.898 -19.047 520 HE1 TYR 70 HE1 TYR 70 27.738 -2.551 -20.546 521 HE2 TYR 70 HE2 TYR 70 24.714 -0.004 -18.941 522 HH TYR 70 HH TYR 70 24.391 -2.147 -19.434 523 H ARG 71 H ARG 71 30.925 3.296 -17.968 524 HA ARG 71 HA ARG 71 32.798 4.690 -19.750 525 HB2 ARG 71 2HB ARG 71 30.360 5.725 -19.305 526 HB3 ARG 71 3HB ARG 71 31.194 6.357 -17.892 527 HG2 ARG 71 2HG ARG 71 32.525 7.736 -19.118 528 HG3 ARG 71 3HG ARG 71 32.512 6.676 -20.529 529 HD2 ARG 71 2HD ARG 71 30.335 7.389 -21.150 530 HD3 ARG 71 3HD ARG 71 30.093 8.210 -19.609 531 HE ARG 71 HE ARG 71 32.251 9.464 -20.684 532 HH11 ARG 71 1HH1 ARG 71 29.026 8.783 -21.806 533 HH12 ARG 71 2HH1 ARG 71 28.936 10.195 -22.806 534 HH21 ARG 71 1HH2 ARG 71 32.144 11.326 -21.997 535 HH22 ARG 71 2HH2 ARG 71 30.710 11.640 -22.915 536 H HIS 72 H HIS 72 33.502 2.836 -17.794 537 HA HIS 72 HA HIS 72 35.421 4.261 -16.323 538 HB2 HIS 72 2HB HIS 72 32.925 4.390 -15.111 539 HB3 HIS 72 3HB HIS 72 33.743 3.092 -14.247 540 HD1 HIS 72 HD1 HIS 72 33.039 5.960 -13.072 541 HD2 HIS 72 HD2 HIS 72 36.753 4.709 -14.452 542 HE1 HIS 72 HE1 HIS 72 34.717 7.443 -11.926 543 H ASN 73 H ASN 73 35.149 1.917 -17.989 544 HA ASN 73 HA ASN 73 36.485 0.007 -16.228 545 HB2 ASN 73 2HB ASN 73 34.295 -0.905 -16.207 546 HB3 ASN 73 3HB ASN 73 34.069 -0.601 -17.927 547 HD21 ASN 73 1HD2 ASN 73 33.907 -2.480 -18.909 548 HD22 ASN 73 2HD2 ASN 73 34.945 -3.841 -18.676 Start of MODEL 5 1 H1 MET 1 H MET 1 2.378 -0.754 -4.346 2 HA MET 1 HA MET 1 1.678 0.040 -2.328 3 HB2 MET 1 2HB MET 1 3.986 -1.725 -1.528 4 HB3 MET 1 3HB MET 1 2.950 -0.939 -0.343 5 HG2 MET 1 2HG MET 1 1.015 -2.100 -1.235 6 HG3 MET 1 3HG MET 1 2.019 -2.852 -2.471 7 HE1 MET 1 3HE MET 1 0.113 -3.425 0.293 8 HE2 MET 1 1HE MET 1 0.870 -4.636 1.330 9 HE3 MET 1 2HE MET 1 1.240 -2.926 1.556 10 H GLY 2 H GLY 2 1.814 2.074 -1.661 11 HA2 GLY 2 2HA GLY 2 2.704 3.987 -0.715 12 HA3 GLY 2 3HA GLY 2 4.220 3.124 -0.497 13 H SER 3 H SER 3 5.771 4.309 -1.397 14 HA SER 3 HA SER 3 5.236 5.639 -3.957 15 HB2 SER 3 2HB SER 3 6.502 6.532 -1.637 16 HB3 SER 3 3HB SER 3 7.822 6.234 -2.769 17 HG SER 3 HG SER 3 6.425 8.356 -2.716 18 H TRP 4 H TRP 4 5.776 2.760 -3.657 19 HA TRP 4 HA TRP 4 8.450 2.347 -4.662 20 HB2 TRP 4 2HB TRP 4 7.681 0.581 -3.314 21 HB3 TRP 4 3HB TRP 4 6.109 0.542 -4.107 22 HD1 TRP 4 HD1 TRP 4 5.983 -0.679 -6.516 23 HE1 TRP 4 HE1 TRP 4 7.479 -2.485 -7.576 24 HE3 TRP 4 HE3 TRP 4 10.061 -0.246 -3.464 25 HZ2 TRP 4 HZ2 TRP 4 10.049 -3.581 -7.172 26 HZ3 TRP 4 HZ3 TRP 4 11.997 -1.711 -3.868 27 HH2 TRP 4 HH2 TRP 4 11.988 -3.344 -5.683 28 H ALA 5 H ALA 5 5.171 2.386 -5.954 29 HA ALA 5 HA ALA 5 5.582 1.347 -8.478 30 HB1 ALA 5 1HB ALA 5 3.752 3.111 -9.120 31 HB2 ALA 5 2HB ALA 5 3.369 1.768 -8.042 32 HB3 ALA 5 3HB ALA 5 3.691 3.369 -7.376 33 H GLU 6 H GLU 6 5.860 4.765 -7.497 34 HA GLU 6 HA GLU 6 6.657 5.790 -9.961 35 HB2 GLU 6 2HB GLU 6 6.457 6.728 -7.273 36 HB3 GLU 6 3HB GLU 6 8.017 7.224 -7.915 37 HG2 GLU 6 2HG GLU 6 7.107 8.655 -9.404 38 HG3 GLU 6 3HG GLU 6 5.685 7.649 -9.670 39 H PHE 7 H PHE 7 8.674 4.694 -7.242 40 HA PHE 7 HA PHE 7 11.158 5.167 -8.435 41 HB2 PHE 7 2HB PHE 7 10.176 3.466 -6.200 42 HB3 PHE 7 3HB PHE 7 11.779 3.117 -6.838 43 HD1 PHE 7 HD2 PHE 7 9.850 6.218 -6.053 44 HD2 PHE 7 HD1 PHE 7 13.457 4.010 -5.571 45 HE1 PHE 7 HE2 PHE 7 10.783 8.046 -4.696 46 HE2 PHE 7 HE1 PHE 7 14.395 5.834 -4.211 47 HZ PHE 7 HZ PHE 7 13.059 7.856 -3.773 48 H LYS 8 H LYS 8 8.969 2.429 -8.654 49 HA LYS 8 HA LYS 8 10.739 0.642 -9.939 50 HB2 LYS 8 2HB LYS 8 7.999 0.672 -9.139 51 HB3 LYS 8 3HB LYS 8 8.075 0.154 -10.818 52 HG2 LYS 8 2HG LYS 8 9.577 -1.079 -8.518 53 HG3 LYS 8 3HG LYS 8 8.149 -1.747 -9.311 54 HD2 LYS 8 2HD LYS 8 10.128 -1.139 -11.284 55 HD3 LYS 8 3HD LYS 8 10.861 -2.111 -10.006 56 HE2 LYS 8 2HE LYS 8 8.980 -3.720 -10.236 57 HE3 LYS 8 3HE LYS 8 8.393 -2.780 -11.607 58 HZ1 LYS 8 3HZ LYS 8 10.988 -3.219 -12.233 59 HZ2 LYS 8 1HZ LYS 8 9.679 -4.121 -12.813 60 HZ3 LYS 8 2HZ LYS 8 10.556 -4.668 -11.474 61 H GLN 9 H GLN 9 8.359 2.950 -11.200 62 HA GLN 9 HA GLN 9 8.694 2.319 -13.922 63 HB2 GLN 9 2HB GLN 9 7.084 4.030 -12.461 64 HB3 GLN 9 3HB GLN 9 8.079 5.126 -13.410 65 HG2 GLN 9 2HG GLN 9 7.428 3.638 -15.407 66 HG3 GLN 9 3HG GLN 9 6.148 3.046 -14.349 67 HE21 GLN 9 1HE2 GLN 9 4.856 3.983 -16.149 68 HE22 GLN 9 2HE2 GLN 9 4.413 5.649 -16.031 69 H ARG 10 H ARG 10 9.990 5.100 -12.095 70 HA ARG 10 HA ARG 10 11.627 6.128 -14.074 71 HB2 ARG 10 2HB ARG 10 12.099 6.110 -11.087 72 HB3 ARG 10 3HB ARG 10 12.935 7.148 -12.235 73 HG2 ARG 10 2HG ARG 10 11.262 8.611 -12.280 74 HG3 ARG 10 3HG ARG 10 10.050 7.343 -12.471 75 HD2 ARG 10 2HD ARG 10 9.408 7.901 -10.401 76 HD3 ARG 10 3HD ARG 10 10.832 7.004 -9.875 77 HE ARG 10 HE ARG 10 11.720 8.976 -9.170 78 HH11 ARG 10 1HH1 ARG 10 9.338 9.658 -11.615 79 HH12 ARG 10 2HH1 ARG 10 9.479 11.378 -11.458 80 HH21 ARG 10 1HH2 ARG 10 11.916 11.238 -8.954 81 HH22 ARG 10 2HH2 ARG 10 10.947 12.275 -9.945 82 H LEU 11 H LEU 11 12.374 3.656 -11.644 83 HA LEU 11 HA LEU 11 15.081 3.317 -12.290 84 HB2 LEU 11 2HB LEU 11 13.015 1.594 -10.988 85 HB3 LEU 11 3HB LEU 11 14.602 0.928 -11.367 86 HG LEU 11 HG LEU 11 14.062 3.287 -9.564 87 HD11 LEU 11 1HD1 LEU 11 14.955 1.702 -7.824 88 HD12 LEU 11 2HD1 LEU 11 14.753 0.413 -9.010 89 HD13 LEU 11 3HD1 LEU 11 13.350 1.323 -8.450 90 HD21 LEU 11 3HD2 LEU 11 16.169 3.685 -10.480 91 HD22 LEU 11 1HD2 LEU 11 16.581 1.970 -10.520 92 HD23 LEU 11 2HD2 LEU 11 16.521 2.827 -8.980 93 H ALA 12 H ALA 12 12.169 1.759 -13.555 94 HA ALA 12 HA ALA 12 13.419 -0.164 -15.165 95 HB1 ALA 12 1HB ALA 12 10.736 1.115 -15.117 96 HB2 ALA 12 2HB ALA 12 11.197 0.188 -16.545 97 HB3 ALA 12 3HB ALA 12 11.184 -0.583 -14.959 98 H ALA 13 H ALA 13 12.366 3.145 -15.917 99 HA ALA 13 HA ALA 13 13.105 3.115 -18.633 100 HB1 ALA 13 1HB ALA 13 12.765 5.380 -16.680 101 HB2 ALA 13 2HB ALA 13 13.093 5.618 -18.397 102 HB3 ALA 13 3HB ALA 13 11.614 4.805 -17.886 103 H ILE 14 H ILE 14 14.868 4.075 -15.717 104 HA ILE 14 HA ILE 14 17.153 5.098 -16.992 105 HB ILE 14 HB ILE 14 16.908 3.807 -14.273 106 HG12 ILE 14 2HG1 ILE 14 17.196 6.744 -14.699 107 HG13 ILE 14 3HG1 ILE 14 15.629 6.015 -15.032 108 HG21 ILE 14 1HG2 ILE 14 19.209 4.762 -15.737 109 HG22 ILE 14 2HG2 ILE 14 18.987 5.649 -14.231 110 HG23 ILE 14 3HG2 ILE 14 19.131 3.892 -14.206 111 HD11 ILE 14 3HD1 ILE 14 16.769 6.759 -12.536 112 HD12 ILE 14 1HD1 ILE 14 15.158 6.128 -12.880 113 HD13 ILE 14 2HD1 ILE 14 16.488 5.018 -12.543 114 H LYS 15 H LYS 15 16.357 1.837 -15.866 115 HA LYS 15 HA LYS 15 18.869 0.678 -16.452 116 HB2 LYS 15 2HB LYS 15 16.491 -0.163 -15.275 117 HB3 LYS 15 3HB LYS 15 16.632 -1.163 -16.715 118 HG2 LYS 15 2HG LYS 15 19.115 -1.432 -15.816 119 HG3 LYS 15 3HG LYS 15 18.316 -1.086 -14.280 120 HD2 LYS 15 2HD LYS 15 17.886 -3.288 -14.236 121 HD3 LYS 15 3HD LYS 15 16.619 -2.909 -15.404 122 HE2 LYS 15 2HE LYS 15 18.797 -3.133 -17.019 123 HE3 LYS 15 3HE LYS 15 19.171 -4.315 -15.766 124 HZ1 LYS 15 3HZ LYS 15 17.967 -5.453 -17.415 125 HZ2 LYS 15 1HZ LYS 15 16.799 -4.235 -17.537 126 HZ3 LYS 15 2HZ LYS 15 16.867 -5.206 -16.154 127 H THR 16 H THR 16 15.856 0.923 -18.300 128 HA THR 16 HA THR 16 16.580 -0.636 -20.494 129 HB THR 16 HB THR 16 14.882 1.851 -20.687 130 HG1 THR 16 HG1 THR 16 14.274 -0.716 -19.629 131 HG21 THR 16 3HG2 THR 16 15.435 -0.458 -22.395 132 HG22 THR 16 1HG2 THR 16 14.762 1.118 -22.807 133 HG23 THR 16 2HG2 THR 16 13.715 -0.146 -22.162 134 H ARG 17 H ARG 17 16.748 2.920 -20.210 135 HA ARG 17 HA ARG 17 18.123 3.326 -22.626 136 HB2 ARG 17 2HB ARG 17 17.619 4.947 -20.176 137 HB3 ARG 17 3HB ARG 17 18.864 5.500 -21.288 138 HG2 ARG 17 2HG ARG 17 16.957 6.619 -21.989 139 HG3 ARG 17 3HG ARG 17 17.071 5.257 -23.105 140 HD2 ARG 17 2HD ARG 17 15.485 4.019 -21.617 141 HD3 ARG 17 3HD ARG 17 15.274 5.510 -20.700 142 HE ARG 17 HE ARG 17 14.791 5.887 -23.486 143 HH11 ARG 17 1HH1 ARG 17 13.382 4.703 -20.531 144 HH12 ARG 17 2HH1 ARG 17 11.751 4.984 -21.043 145 HH21 ARG 17 1HH2 ARG 17 12.648 6.261 -24.171 146 HH22 ARG 17 2HH2 ARG 17 11.334 5.869 -23.114 147 H CYS 18 H CYS 18 19.241 2.638 -19.373 148 HA CYS 18 HA CYS 18 21.978 3.226 -19.826 149 HB2 CYS 18 2HB CYS 18 21.233 3.159 -17.566 150 HB3 CYS 18 3HB CYS 18 20.558 1.546 -17.763 151 HG CYS 18 HG CYS 18 22.611 0.347 -16.820 152 H GLN 19 H GLN 19 19.999 0.370 -20.281 153 HA GLN 19 HA GLN 19 22.186 -1.413 -20.733 154 HB2 GLN 19 2HB GLN 19 19.246 -1.638 -21.390 155 HB3 GLN 19 3HB GLN 19 20.408 -2.937 -21.620 156 HG2 GLN 19 2HG GLN 19 20.508 -1.840 -18.939 157 HG3 GLN 19 3HG GLN 19 18.908 -2.450 -19.359 158 HE21 GLN 19 1HE2 GLN 19 22.322 -3.297 -19.228 159 HE22 GLN 19 2HE2 GLN 19 22.081 -4.994 -19.014 160 H ALA 20 H ALA 20 19.960 0.379 -22.825 161 HA ALA 20 HA ALA 20 21.089 -0.633 -25.253 162 HB1 ALA 20 1HB ALA 20 19.149 1.565 -24.618 163 HB2 ALA 20 2HB ALA 20 19.752 1.309 -26.256 164 HB3 ALA 20 3HB ALA 20 18.857 0.030 -25.436 165 H LEU 21 H LEU 21 21.678 2.116 -23.183 166 HA LEU 21 HA LEU 21 23.198 3.809 -23.242 167 HB2 LEU 21 2HB LEU 21 24.727 1.794 -24.882 168 HB3 LEU 21 3HB LEU 21 25.413 3.238 -24.141 169 HG LEU 21 HG LEU 21 24.128 1.037 -22.539 170 HD11 LEU 21 1HD1 LEU 21 26.364 0.666 -24.054 171 HD12 LEU 21 2HD1 LEU 21 25.991 -0.201 -22.565 172 HD13 LEU 21 3HD1 LEU 21 27.047 1.210 -22.521 173 HD21 LEU 21 3HD2 LEU 21 24.500 3.417 -21.638 174 HD22 LEU 21 1HD2 LEU 21 26.213 2.997 -21.647 175 HD23 LEU 21 2HD2 LEU 21 25.080 2.058 -20.674 176 H GLY 22 H GLY 22 21.189 3.590 -25.436 177 HA2 GLY 22 2HA GLY 22 22.628 5.202 -27.454 178 HA3 GLY 22 3HA GLY 22 21.299 4.124 -27.855 179 H GLY 23 H GLY 23 20.093 5.135 -25.167 180 HA2 GLY 23 2HA GLY 23 18.187 6.840 -26.209 181 HA3 GLY 23 3HA GLY 23 18.612 6.763 -24.506 182 H SER 24 H SER 24 21.222 7.714 -24.592 183 HA SER 24 HA SER 24 21.631 10.048 -26.062 184 HB2 SER 24 2HB SER 24 19.877 10.352 -23.706 185 HB3 SER 24 3HB SER 24 21.202 11.511 -23.806 186 HG SER 24 HG SER 24 20.363 11.614 -26.154 187 H GLU 25 H GLU 25 23.754 10.302 -25.964 188 HA GLU 25 HA GLU 25 25.458 8.956 -24.257 189 HB2 GLU 25 2HB GLU 25 27.188 10.632 -24.972 190 HB3 GLU 25 3HB GLU 25 26.318 9.861 -26.290 191 HG2 GLU 25 2HG GLU 25 24.875 12.180 -25.637 192 HG3 GLU 25 3HG GLU 25 26.577 12.638 -25.670 193 H ALA 26 H ALA 26 23.817 11.990 -23.793 194 HA ALA 26 HA ALA 26 25.387 12.699 -21.461 195 HB1 ALA 26 1HB ALA 26 24.487 14.401 -23.051 196 HB2 ALA 26 2HB ALA 26 22.869 14.010 -22.468 197 HB3 ALA 26 3HB ALA 26 24.065 14.685 -21.362 198 H GLU 27 H GLU 27 22.280 11.261 -22.208 199 HA GLU 27 HA GLU 27 20.939 11.493 -19.816 200 HB2 GLU 27 2HB GLU 27 20.873 9.671 -22.096 201 HB3 GLU 27 3HB GLU 27 20.373 8.899 -20.598 202 HG2 GLU 27 2HG GLU 27 19.223 11.517 -21.499 203 HG3 GLU 27 3HG GLU 27 18.566 9.968 -22.025 204 H CYS 28 H CYS 28 23.630 9.407 -20.623 205 HA CYS 28 HA CYS 28 23.548 7.535 -18.609 206 HB2 CYS 28 2HB CYS 28 26.036 8.929 -19.619 207 HB3 CYS 28 3HB CYS 28 25.968 7.354 -18.837 208 HG CYS 28 HG CYS 28 25.829 6.066 -21.042 209 H ALA 29 H ALA 29 24.876 10.821 -18.464 210 HA ALA 29 HA ALA 29 25.883 10.718 -15.857 211 HB1 ALA 29 1HB ALA 29 24.971 13.336 -16.262 212 HB2 ALA 29 2HB ALA 29 26.596 12.706 -16.540 213 HB3 ALA 29 3HB ALA 29 25.421 12.727 -17.855 214 H ALA 30 H ALA 30 22.709 11.839 -17.018 215 HA ALA 30 HA ALA 30 21.618 12.574 -14.571 216 HB1 ALA 30 1HB ALA 30 19.707 11.303 -16.381 217 HB2 ALA 30 2HB ALA 30 19.753 12.950 -15.749 218 HB3 ALA 30 3HB ALA 30 20.729 12.517 -17.153 219 H PHE 31 H PHE 31 21.835 9.404 -16.093 220 HA PHE 31 HA PHE 31 20.147 8.030 -14.295 221 HB2 PHE 31 2HB PHE 31 22.430 7.038 -16.012 222 HB3 PHE 31 3HB PHE 31 21.327 5.985 -15.132 223 HD1 PHE 31 HD1 PHE 31 18.791 7.537 -15.596 224 HD2 PHE 31 HD2 PHE 31 21.949 6.418 -18.222 225 HE1 PHE 31 HE1 PHE 31 17.227 7.590 -17.494 226 HE2 PHE 31 HE2 PHE 31 20.390 6.470 -20.124 227 HZ PHE 31 HZ PHE 31 18.025 7.057 -19.762 228 H GLU 32 H GLU 32 23.691 8.351 -14.404 229 HA GLU 32 HA GLU 32 24.310 6.838 -12.163 230 HB2 GLU 32 2HB GLU 32 25.848 8.007 -13.910 231 HB3 GLU 32 3HB GLU 32 25.812 9.359 -12.788 232 HG2 GLU 32 2HG GLU 32 26.429 7.395 -11.081 233 HG3 GLU 32 3HG GLU 32 27.133 6.734 -12.556 234 H LYS 33 H LYS 33 23.682 10.336 -12.354 235 HA LYS 33 HA LYS 33 23.932 10.810 -9.578 236 HB2 LYS 33 2HB LYS 33 23.055 12.313 -11.946 237 HB3 LYS 33 3HB LYS 33 22.267 12.802 -10.452 238 HG2 LYS 33 2HG LYS 33 24.050 13.968 -9.867 239 HG3 LYS 33 3HG LYS 33 25.054 12.519 -9.953 240 HD2 LYS 33 2HD LYS 33 25.444 12.883 -12.312 241 HD3 LYS 33 3HD LYS 33 24.340 14.260 -12.312 242 HE2 LYS 33 2HE LYS 33 25.925 15.641 -11.567 243 HE3 LYS 33 3HE LYS 33 26.397 14.523 -10.288 244 HZ1 LYS 33 3HZ LYS 33 27.361 13.357 -12.543 245 HZ2 LYS 33 1HZ LYS 33 28.265 14.276 -11.447 246 HZ3 LYS 33 2HZ LYS 33 27.625 15.003 -12.833 247 H GLU 34 H GLU 34 21.032 10.537 -11.638 248 HA GLU 34 HA GLU 34 19.092 10.776 -9.697 249 HB2 GLU 34 2HB GLU 34 19.184 9.206 -12.258 250 HB3 GLU 34 3HB GLU 34 17.761 9.167 -11.227 251 HG2 GLU 34 2HG GLU 34 18.959 11.725 -12.242 252 HG3 GLU 34 3HG GLU 34 17.732 10.822 -13.128 253 H ILE 35 H ILE 35 20.700 7.794 -10.781 254 HA ILE 35 HA ILE 35 19.351 6.029 -9.075 255 HB ILE 35 HB ILE 35 22.103 5.862 -10.297 256 HG12 ILE 35 2HG1 ILE 35 20.083 5.838 -11.793 257 HG13 ILE 35 3HG1 ILE 35 21.078 4.390 -11.893 258 HG21 ILE 35 1HG2 ILE 35 20.722 4.053 -8.402 259 HG22 ILE 35 2HG2 ILE 35 21.575 3.310 -9.754 260 HG23 ILE 35 3HG2 ILE 35 22.444 4.356 -8.632 261 HD11 ILE 35 3HD1 ILE 35 18.651 3.940 -11.882 262 HD12 ILE 35 1HD1 ILE 35 19.517 3.161 -10.558 263 HD13 ILE 35 2HD1 ILE 35 18.567 4.616 -10.255 264 H ALA 36 H ALA 36 22.381 7.816 -8.625 265 HA ALA 36 HA ALA 36 23.165 6.746 -6.183 266 HB1 ALA 36 1HB ALA 36 23.883 8.987 -7.810 267 HB2 ALA 36 2HB ALA 36 23.832 9.478 -6.116 268 HB3 ALA 36 3HB ALA 36 24.848 8.125 -6.612 269 H ALA 37 H ALA 37 21.085 9.562 -6.818 270 HA ALA 37 HA ALA 37 20.601 10.153 -4.088 271 HB1 ALA 37 1HB ALA 37 18.587 11.408 -5.105 272 HB2 ALA 37 2HB ALA 37 20.217 11.938 -5.523 273 HB3 ALA 37 3HB ALA 37 19.291 10.956 -6.658 274 H PHE 38 H PHE 38 19.071 8.029 -6.407 275 HA PHE 38 HA PHE 38 16.643 7.593 -5.064 276 HB2 PHE 38 2HB PHE 38 18.059 6.457 -7.309 277 HB3 PHE 38 3HB PHE 38 17.325 5.182 -6.341 278 HD1 PHE 38 HD2 PHE 38 16.127 8.634 -7.030 279 HD2 PHE 38 HD1 PHE 38 15.499 4.458 -7.564 280 HE1 PHE 38 HE2 PHE 38 13.950 9.098 -8.078 281 HE2 PHE 38 HE1 PHE 38 13.322 4.916 -8.614 282 HZ PHE 38 HZ PHE 38 12.544 7.238 -8.871 283 H GLU 39 H GLU 39 19.631 5.646 -5.039 284 HA GLU 39 HA GLU 39 18.740 3.848 -3.049 285 HB2 GLU 39 2HB GLU 39 21.085 3.149 -2.901 286 HB3 GLU 39 3HB GLU 39 20.563 3.289 -4.574 287 HG2 GLU 39 2HG GLU 39 21.648 5.496 -4.699 288 HG3 GLU 39 3HG GLU 39 22.227 5.279 -3.048 289 H SER 40 H SER 40 20.557 6.864 -2.923 290 HA SER 40 HA SER 40 21.205 6.710 -0.161 291 HB2 SER 40 2HB SER 40 22.530 8.157 -1.520 292 HB3 SER 40 3HB SER 40 21.108 9.017 -2.109 293 HG SER 40 HG SER 40 22.347 9.146 0.415 294 H GLU 41 H GLU 41 18.407 7.747 -1.928 295 HA GLU 41 HA GLU 41 17.251 9.203 0.279 296 HB2 GLU 41 2HB GLU 41 16.396 8.498 -2.494 297 HB3 GLU 41 3HB GLU 41 15.167 8.964 -1.327 298 HG2 GLU 41 2HG GLU 41 17.490 10.747 -1.437 299 HG3 GLU 41 3HG GLU 41 16.530 10.683 -2.914 300 H LEU 42 H LEU 42 16.928 6.016 -1.177 301 HA LEU 42 HA LEU 42 14.687 5.242 0.430 302 HB2 LEU 42 2HB LEU 42 16.627 3.567 -1.159 303 HB3 LEU 42 3HB LEU 42 15.117 2.992 -0.454 304 HG LEU 42 HG LEU 42 15.100 5.226 -2.448 305 HD11 LEU 42 1HD1 LEU 42 15.672 2.363 -2.941 306 HD12 LEU 42 2HD1 LEU 42 16.166 3.794 -3.846 307 HD13 LEU 42 3HD1 LEU 42 14.530 3.160 -4.023 308 HD21 LEU 42 3HD2 LEU 42 12.897 3.961 -2.955 309 HD22 LEU 42 1HD2 LEU 42 13.000 4.966 -1.509 310 HD23 LEU 42 2HD2 LEU 42 13.161 3.214 -1.379 311 H GLN 43 H GLN 43 18.164 5.026 0.701 312 HA GLN 43 HA GLN 43 18.157 3.146 2.861 313 HB2 GLN 43 2HB GLN 43 20.487 3.398 2.907 314 HB3 GLN 43 3HB GLN 43 20.064 3.630 1.216 315 HG2 GLN 43 2HG GLN 43 21.355 5.443 1.367 316 HG3 GLN 43 3HG GLN 43 19.948 6.176 2.135 317 HE21 GLN 43 1HE2 GLN 43 20.175 6.963 4.114 318 HE22 GLN 43 2HE2 GLN 43 21.518 6.677 5.163 319 H ALA 44 H ALA 44 17.673 6.524 2.586 320 HA ALA 44 HA ALA 44 18.479 7.197 5.263 321 HB1 ALA 44 1HB ALA 44 16.645 8.918 3.659 322 HB2 ALA 44 2HB ALA 44 17.964 9.376 4.736 323 HB3 ALA 44 3HB ALA 44 18.318 8.714 3.140 324 H TYR 45 H TYR 45 15.646 5.948 3.766 325 HA TYR 45 HA TYR 45 13.596 6.857 5.370 326 HB2 TYR 45 2HB TYR 45 14.086 4.381 3.809 327 HB3 TYR 45 3HB TYR 45 12.790 4.318 4.999 328 HD1 TYR 45 HD1 TYR 45 11.455 6.809 4.897 329 HD2 TYR 45 HD2 TYR 45 13.246 4.668 1.685 330 HE1 TYR 45 HE1 TYR 45 9.943 7.930 3.314 331 HE2 TYR 45 HE2 TYR 45 11.739 5.784 0.093 332 HH TYR 45 HH TYR 45 9.002 7.273 0.888 333 H LYS 46 H LYS 46 15.381 3.808 5.878 334 HA LYS 46 HA LYS 46 15.871 2.626 7.758 335 HB2 LYS 46 2HB LYS 46 15.428 5.192 9.283 336 HB3 LYS 46 3HB LYS 46 16.427 3.823 9.754 337 HG2 LYS 46 2HG LYS 46 17.429 4.641 7.284 338 HG3 LYS 46 3HG LYS 46 17.103 6.129 8.175 339 HD2 LYS 46 2HD LYS 46 18.572 5.571 9.889 340 HD3 LYS 46 3HD LYS 46 18.536 3.852 9.491 341 HE2 LYS 46 2HE LYS 46 20.239 4.055 8.064 342 HE3 LYS 46 3HE LYS 46 19.517 5.464 7.288 343 HZ1 LYS 46 3HZ LYS 46 20.454 6.204 9.829 344 HZ2 LYS 46 1HZ LYS 46 20.976 6.749 8.315 345 HZ3 LYS 46 2HZ LYS 46 21.698 5.392 9.021 346 H GLY 47 H GLY 47 13.473 2.011 7.022 347 HA2 GLY 47 2HA GLY 47 11.744 2.316 9.398 348 HA3 GLY 47 3HA GLY 47 11.137 2.090 7.765 349 H LYS 48 H LYS 48 12.470 0.553 10.572 350 HA LYS 48 HA LYS 48 12.698 -1.629 11.192 351 HB2 LYS 48 2HB LYS 48 10.179 -1.334 10.734 352 HB3 LYS 48 3HB LYS 48 10.476 -2.245 9.259 353 HG2 LYS 48 2HG LYS 48 9.801 -3.887 10.723 354 HG3 LYS 48 3HG LYS 48 11.560 -3.983 10.845 355 HD2 LYS 48 2HD LYS 48 11.263 -2.307 12.803 356 HD3 LYS 48 3HD LYS 48 9.584 -2.852 12.791 357 HE2 LYS 48 2HE LYS 48 11.791 -4.863 12.815 358 HE3 LYS 48 3HE LYS 48 11.353 -4.038 14.309 359 HZ1 LYS 48 3HZ LYS 48 9.497 -5.231 14.494 360 HZ2 LYS 48 1HZ LYS 48 10.159 -6.264 13.329 361 HZ3 LYS 48 2HZ LYS 48 9.085 -5.043 12.864 362 H GLY 49 H GLY 49 14.758 -1.464 9.864 363 HA2 GLY 49 2HA GLY 49 16.235 -2.889 8.747 364 HA3 GLY 49 3HA GLY 49 14.861 -3.790 8.126 365 H ASN 50 H ASN 50 14.819 -3.732 5.987 366 HA ASN 50 HA ASN 50 14.493 -1.403 4.491 367 HB2 ASN 50 2HB ASN 50 16.820 -1.773 3.233 368 HB3 ASN 50 3HB ASN 50 16.657 -0.666 4.593 369 HD21 ASN 50 1HD2 ASN 50 18.433 -0.792 5.757 370 HD22 ASN 50 2HD2 ASN 50 19.215 -2.247 6.262 371 HA PRO 51 HA PRO 51 13.744 -5.627 2.557 372 HB2 PRO 51 2HB PRO 51 11.037 -5.437 2.479 373 HB3 PRO 51 3HB PRO 51 11.914 -6.103 3.862 374 HG2 PRO 51 2HG PRO 51 10.770 -3.363 3.487 375 HG3 PRO 51 3HG PRO 51 10.720 -4.410 4.917 376 HD2 PRO 51 2HD PRO 51 12.470 -2.357 4.674 377 HD3 PRO 51 3HD PRO 51 12.860 -3.846 5.559 378 H GLU 52 H GLU 52 11.816 -2.669 2.021 379 HA GLU 52 HA GLU 52 11.432 -3.154 -0.748 380 HB2 GLU 52 2HB GLU 52 10.719 -0.743 -0.797 381 HB3 GLU 52 3HB GLU 52 9.864 -1.746 0.367 382 HG2 GLU 52 2HG GLU 52 10.674 -0.624 2.137 383 HG3 GLU 52 3HG GLU 52 12.252 -0.371 1.393 384 H VAL 53 H VAL 53 13.946 -1.636 1.101 385 HA VAL 53 HA VAL 53 15.128 -0.230 -1.105 386 HB VAL 53 HB VAL 53 16.504 -0.962 1.474 387 HG11 VAL 53 1HG1 VAL 53 17.214 0.574 -0.834 388 HG12 VAL 53 2HG1 VAL 53 17.152 1.626 0.581 389 HG13 VAL 53 3HG1 VAL 53 18.181 0.194 0.591 390 HG21 VAL 53 3HG2 VAL 53 14.551 0.043 2.264 391 HG22 VAL 53 1HG2 VAL 53 15.698 1.379 2.170 392 HG23 VAL 53 2HG2 VAL 53 14.475 1.177 0.915 393 H GLU 54 H GLU 54 15.236 -3.442 0.098 394 HA GLU 54 HA GLU 54 17.786 -4.272 -0.653 395 HB2 GLU 54 2HB GLU 54 15.162 -5.758 -0.582 396 HB3 GLU 54 3HB GLU 54 16.695 -6.546 -0.928 397 HG2 GLU 54 2HG GLU 54 17.200 -5.133 1.387 398 HG3 GLU 54 3HG GLU 54 15.555 -5.725 1.606 399 H ALA 55 H ALA 55 14.768 -4.533 -2.537 400 HA ALA 55 HA ALA 55 16.002 -5.443 -4.901 401 HB1 ALA 55 1HB ALA 55 13.684 -5.830 -4.658 402 HB2 ALA 55 2HB ALA 55 13.350 -4.118 -4.393 403 HB3 ALA 55 3HB ALA 55 13.850 -4.683 -5.987 404 H LEU 56 H LEU 56 14.881 -2.195 -3.963 405 HA LEU 56 HA LEU 56 15.580 -0.828 -6.269 406 HB2 LEU 56 2HB LEU 56 15.594 0.078 -3.398 407 HB3 LEU 56 3HB LEU 56 15.812 1.168 -4.766 408 HG LEU 56 HG LEU 56 13.378 -0.522 -4.773 409 HD11 LEU 56 1HD1 LEU 56 12.468 0.232 -2.897 410 HD12 LEU 56 2HD1 LEU 56 12.875 1.898 -3.306 411 HD13 LEU 56 3HD1 LEU 56 14.044 0.889 -2.454 412 HD21 LEU 56 3HD2 LEU 56 12.722 2.096 -5.285 413 HD22 LEU 56 1HD2 LEU 56 13.108 0.873 -6.495 414 HD23 LEU 56 2HD2 LEU 56 14.364 1.969 -5.919 415 H ARG 57 H ARG 57 17.562 -1.542 -3.417 416 HA ARG 57 HA ARG 57 19.857 -0.140 -4.248 417 HB2 ARG 57 2HB ARG 57 19.307 -2.312 -2.272 418 HB3 ARG 57 3HB ARG 57 20.978 -1.952 -2.687 419 HG2 ARG 57 2HG ARG 57 20.654 0.368 -2.005 420 HG3 ARG 57 3HG ARG 57 18.973 0.014 -1.600 421 HD2 ARG 57 2HD ARG 57 20.259 -0.023 0.420 422 HD3 ARG 57 3HD ARG 57 19.790 -1.677 0.031 423 HE ARG 57 HE ARG 57 22.280 -1.310 -1.092 424 HH11 ARG 57 1HH1 ARG 57 20.887 -1.183 2.096 425 HH12 ARG 57 2HH1 ARG 57 22.345 -1.669 2.895 426 HH21 ARG 57 1HH2 ARG 57 24.206 -1.951 -0.051 427 HH22 ARG 57 2HH2 ARG 57 24.233 -2.105 1.673 428 H LYS 58 H LYS 58 18.869 -3.515 -4.676 429 HA LYS 58 HA LYS 58 21.192 -4.488 -5.867 430 HB2 LYS 58 2HB LYS 58 18.718 -5.519 -5.249 431 HB3 LYS 58 3HB LYS 58 18.712 -5.562 -7.007 432 HG2 LYS 58 2HG LYS 58 21.209 -6.544 -5.937 433 HG3 LYS 58 3HG LYS 58 19.827 -7.435 -5.294 434 HD2 LYS 58 2HD LYS 58 19.311 -8.341 -7.302 435 HD3 LYS 58 3HD LYS 58 19.775 -6.891 -8.194 436 HE2 LYS 58 2HE LYS 58 21.749 -7.778 -8.693 437 HE3 LYS 58 3HE LYS 58 22.094 -8.059 -6.987 438 HZ1 LYS 58 3HZ LYS 58 20.346 -10.030 -7.571 439 HZ2 LYS 58 1HZ LYS 58 22.029 -10.202 -7.554 440 HZ3 LYS 58 2HZ LYS 58 21.224 -9.911 -9.012 441 H GLU 59 H GLU 59 18.235 -3.334 -7.502 442 HA GLU 59 HA GLU 59 19.200 -3.467 -10.108 443 HB2 GLU 59 2HB GLU 59 16.983 -2.099 -8.732 444 HB3 GLU 59 3HB GLU 59 17.498 -1.340 -10.231 445 HG2 GLU 59 2HG GLU 59 16.999 -3.251 -11.499 446 HG3 GLU 59 3HG GLU 59 16.874 -4.268 -10.065 447 H ALA 60 H ALA 60 19.116 -0.645 -7.932 448 HA ALA 60 HA ALA 60 20.319 1.220 -9.566 449 HB1 ALA 60 1HB ALA 60 21.347 1.871 -7.119 450 HB2 ALA 60 2HB ALA 60 19.740 2.312 -7.699 451 HB3 ALA 60 3HB ALA 60 19.950 0.884 -6.686 452 H ALA 61 H ALA 61 21.944 -0.977 -7.277 453 HA ALA 61 HA ALA 61 24.564 -0.207 -7.768 454 HB1 ALA 61 1HB ALA 61 25.144 -2.562 -7.051 455 HB2 ALA 61 2HB ALA 61 24.147 -1.633 -5.932 456 HB3 ALA 61 3HB ALA 61 23.409 -2.863 -6.958 457 H ALA 62 H ALA 62 22.605 -2.654 -9.433 458 HA ALA 62 HA ALA 62 24.578 -3.631 -11.155 459 HB1 ALA 62 1HB ALA 62 22.209 -3.765 -12.599 460 HB2 ALA 62 2HB ALA 62 22.863 -4.999 -11.521 461 HB3 ALA 62 3HB ALA 62 21.704 -3.819 -10.909 462 H ILE 63 H ILE 63 22.271 -0.968 -11.594 463 HA ILE 63 HA ILE 63 22.954 -0.317 -14.230 464 HB ILE 63 HB ILE 63 21.972 1.534 -12.054 465 HG12 ILE 63 2HG1 ILE 63 20.337 0.211 -14.215 466 HG13 ILE 63 3HG1 ILE 63 20.585 -0.539 -12.642 467 HG21 ILE 63 1HG2 ILE 63 22.840 2.079 -14.698 468 HG22 ILE 63 2HG2 ILE 63 21.090 2.285 -14.646 469 HG23 ILE 63 3HG2 ILE 63 22.117 3.184 -13.529 470 HD11 ILE 63 3HD1 ILE 63 19.537 2.247 -12.808 471 HD12 ILE 63 1HD1 ILE 63 18.463 0.876 -13.083 472 HD13 ILE 63 2HD1 ILE 63 19.315 1.034 -11.547 473 H ARG 64 H ARG 64 24.245 0.877 -11.149 474 HA ARG 64 HA ARG 64 25.984 2.807 -12.197 475 HB2 ARG 64 2HB ARG 64 25.403 2.669 -9.815 476 HB3 ARG 64 3HB ARG 64 26.287 1.154 -9.684 477 HG2 ARG 64 2HG ARG 64 28.223 2.736 -10.672 478 HG3 ARG 64 3HG ARG 64 27.275 3.924 -9.776 479 HD2 ARG 64 2HD ARG 64 28.821 3.154 -8.211 480 HD3 ARG 64 3HD ARG 64 27.359 2.239 -7.844 481 HE ARG 64 HE ARG 64 28.889 0.748 -9.643 482 HH11 ARG 64 1HH1 ARG 64 29.051 1.901 -6.362 483 HH12 ARG 64 2HH1 ARG 64 30.030 0.583 -5.810 484 HH21 ARG 64 1HH2 ARG 64 30.179 -0.992 -8.928 485 HH22 ARG 64 2HH2 ARG 64 30.672 -1.062 -7.270 486 H ASP 65 H ASP 65 26.528 -0.615 -11.429 487 HA ASP 65 HA ASP 65 29.254 -0.712 -12.049 488 HB2 ASP 65 2HB ASP 65 27.089 -2.810 -12.110 489 HB3 ASP 65 3HB ASP 65 28.767 -3.186 -12.493 490 H GLU 66 H GLU 66 26.406 -1.228 -14.095 491 HA GLU 66 HA GLU 66 27.765 -1.989 -16.427 492 HB2 GLU 66 2HB GLU 66 25.145 -0.495 -16.232 493 HB3 GLU 66 3HB GLU 66 25.714 -1.423 -17.613 494 HG2 GLU 66 2HG GLU 66 25.129 -3.391 -16.704 495 HG3 GLU 66 3HG GLU 66 25.586 -2.897 -15.074 496 H CYS 67 H CYS 67 26.605 1.209 -15.386 497 HA CYS 67 HA CYS 67 27.460 2.665 -17.602 498 HB2 CYS 67 2HB CYS 67 27.164 3.484 -14.709 499 HB3 CYS 67 3HB CYS 67 27.496 4.622 -16.008 500 HG CYS 67 HG CYS 67 24.930 5.098 -15.957 501 H GLN 68 H GLN 68 29.196 1.718 -14.681 502 HA GLN 68 HA GLN 68 31.537 3.232 -15.235 503 HB2 GLN 68 2HB GLN 68 31.093 0.824 -13.464 504 HB3 GLN 68 3HB GLN 68 32.590 1.746 -13.518 505 HG2 GLN 68 2HG GLN 68 29.940 2.992 -12.857 506 HG3 GLN 68 3HG GLN 68 30.999 2.284 -11.638 507 HE21 GLN 68 1HE2 GLN 68 32.319 3.641 -10.677 508 HE22 GLN 68 2HE2 GLN 68 32.901 5.133 -11.324 509 H ALA 69 H ALA 69 30.444 0.018 -16.089 510 HA ALA 69 HA ALA 69 33.000 -0.828 -17.109 511 HB1 ALA 69 1HB ALA 69 31.588 -2.731 -18.059 512 HB2 ALA 69 2HB ALA 69 31.666 -2.577 -16.303 513 HB3 ALA 69 3HB ALA 69 30.242 -2.011 -17.177 514 H TYR 70 H TYR 70 30.687 1.277 -18.224 515 HA TYR 70 HA TYR 70 31.196 0.658 -21.049 516 HB2 TYR 70 2HB TYR 70 29.136 2.475 -19.783 517 HB3 TYR 70 3HB TYR 70 29.323 2.215 -21.513 518 HD1 TYR 70 HD2 TYR 70 29.925 -0.808 -21.248 519 HD2 TYR 70 HD1 TYR 70 26.875 1.691 -19.648 520 HE1 TYR 70 HE2 TYR 70 28.413 -2.743 -21.123 521 HE2 TYR 70 HE1 TYR 70 25.355 -0.238 -19.517 522 HH TYR 70 HH TYR 70 25.074 -2.395 -19.962 523 H ARG 71 H ARG 71 31.505 3.179 -18.617 524 HA ARG 71 HA ARG 71 33.361 4.586 -20.404 525 HB2 ARG 71 2HB ARG 71 30.877 5.569 -19.954 526 HB3 ARG 71 3HB ARG 71 31.749 6.292 -18.609 527 HG2 ARG 71 2HG ARG 71 33.274 7.378 -20.088 528 HG3 ARG 71 3HG ARG 71 32.624 6.507 -21.478 529 HD2 ARG 71 2HD ARG 71 30.378 7.613 -20.789 530 HD3 ARG 71 3HD ARG 71 31.405 8.734 -19.897 531 HE ARG 71 HE ARG 71 32.255 8.430 -22.601 532 HH11 ARG 71 1HH1 ARG 71 29.927 10.020 -20.558 533 HH12 ARG 71 2HH1 ARG 71 29.692 11.352 -21.641 534 HH21 ARG 71 1HH2 ARG 71 31.955 10.179 -24.034 535 HH22 ARG 71 2HH2 ARG 71 30.846 11.441 -23.618 536 H HIS 72 H HIS 72 34.105 2.791 -18.428 537 HA HIS 72 HA HIS 72 35.956 4.289 -16.946 538 HB2 HIS 72 2HB HIS 72 33.443 4.360 -15.766 539 HB3 HIS 72 3HB HIS 72 34.284 3.092 -14.880 540 HD1 HIS 72 HD1 HIS 72 35.410 6.516 -16.125 541 HD2 HIS 72 HD2 HIS 72 35.319 4.220 -12.663 542 HE1 HIS 72 HE1 HIS 72 36.542 7.910 -14.364 543 H ASN 73 H ASN 73 35.779 1.921 -18.589 544 HA ASN 73 HA ASN 73 37.194 0.091 -16.817 545 HB2 ASN 73 2HB ASN 73 35.058 -0.906 -16.674 546 HB3 ASN 73 3HB ASN 73 34.721 -0.626 -18.380 547 HD21 ASN 73 1HD2 ASN 73 34.596 -2.495 -19.378 548 HD22 ASN 73 2HD2 ASN 73 35.673 -3.831 -19.178 Start of MODEL 6 1 H1 MET 1 H MET 1 2.631 -1.091 -4.358 2 HA MET 1 HA MET 1 0.860 0.498 -2.713 3 HB2 MET 1 2HB MET 1 2.697 -1.740 -2.321 4 HB3 MET 1 3HB MET 1 2.786 -0.548 -1.031 5 HG2 MET 1 2HG MET 1 0.323 -0.725 -0.777 6 HG3 MET 1 3HG MET 1 0.340 -2.029 -1.963 7 HE1 MET 1 3HE MET 1 0.419 -1.977 2.209 8 HE2 MET 1 1HE MET 1 2.158 -1.710 2.086 9 HE3 MET 1 2HE MET 1 1.040 -0.634 1.247 10 H GLY 2 H GLY 2 1.371 2.314 -1.575 11 HA2 GLY 2 2HA GLY 2 2.471 4.276 -1.109 12 HA3 GLY 2 3HA GLY 2 3.891 3.259 -0.911 13 H SER 3 H SER 3 5.409 4.536 -1.848 14 HA SER 3 HA SER 3 4.909 5.565 -4.543 15 HB2 SER 3 2HB SER 3 6.941 6.193 -2.417 16 HB3 SER 3 3HB SER 3 7.219 6.670 -4.092 17 HG SER 3 HG SER 3 6.178 8.331 -2.961 18 H TRP 4 H TRP 4 5.357 2.720 -4.004 19 HA TRP 4 HA TRP 4 8.010 2.051 -4.823 20 HB2 TRP 4 2HB TRP 4 6.846 0.424 -3.534 21 HB3 TRP 4 3HB TRP 4 5.455 0.460 -4.614 22 HD1 TRP 4 HD1 TRP 4 5.841 -0.681 -7.094 23 HE1 TRP 4 HE1 TRP 4 7.331 -2.670 -7.766 24 HE3 TRP 4 HE3 TRP 4 8.961 -0.761 -3.045 25 HZ2 TRP 4 HZ2 TRP 4 9.536 -4.085 -6.717 26 HZ3 TRP 4 HZ3 TRP 4 10.734 -2.465 -2.956 27 HH2 TRP 4 HH2 TRP 4 11.014 -4.092 -4.755 28 H ALA 5 H ALA 5 4.853 2.018 -6.465 29 HA ALA 5 HA ALA 5 5.626 1.088 -8.943 30 HB1 ALA 5 1HB ALA 5 3.398 1.316 -9.012 31 HB2 ALA 5 2HB ALA 5 3.405 2.689 -7.905 32 HB3 ALA 5 3HB ALA 5 3.743 2.936 -9.618 33 H GLU 6 H GLU 6 5.604 4.462 -7.808 34 HA GLU 6 HA GLU 6 6.519 5.650 -10.163 35 HB2 GLU 6 2HB GLU 6 6.301 6.411 -7.337 36 HB3 GLU 6 3HB GLU 6 7.594 7.234 -8.197 37 HG2 GLU 6 2HG GLU 6 5.885 8.681 -8.578 38 HG3 GLU 6 3HG GLU 6 5.710 7.632 -9.984 39 H PHE 7 H PHE 7 8.366 4.534 -7.334 40 HA PHE 7 HA PHE 7 10.906 5.216 -8.301 41 HB2 PHE 7 2HB PHE 7 9.811 3.736 -6.075 42 HB3 PHE 7 3HB PHE 7 11.229 2.916 -6.719 43 HD1 PHE 7 HD1 PHE 7 10.139 6.377 -5.846 44 HD2 PHE 7 HD2 PHE 7 13.262 3.486 -5.833 45 HE1 PHE 7 HE1 PHE 7 11.592 7.957 -4.644 46 HE2 PHE 7 HE2 PHE 7 14.720 5.061 -4.630 47 HZ PHE 7 HZ PHE 7 13.885 7.300 -4.033 48 H LYS 8 H LYS 8 9.020 2.239 -8.614 49 HA LYS 8 HA LYS 8 11.000 0.704 -9.900 50 HB2 LYS 8 2HB LYS 8 8.960 -0.249 -8.882 51 HB3 LYS 8 3HB LYS 8 7.993 0.491 -10.151 52 HG2 LYS 8 2HG LYS 8 8.515 -1.092 -11.650 53 HG3 LYS 8 3HG LYS 8 10.190 -1.204 -11.104 54 HD2 LYS 8 2HD LYS 8 9.551 -3.200 -10.288 55 HD3 LYS 8 3HD LYS 8 8.867 -2.245 -8.971 56 HE2 LYS 8 2HE LYS 8 7.089 -3.594 -9.592 57 HE3 LYS 8 3HE LYS 8 6.771 -2.107 -10.485 58 HZ1 LYS 8 3HZ LYS 8 8.047 -4.557 -11.578 59 HZ2 LYS 8 1HZ LYS 8 7.791 -3.123 -12.439 60 HZ3 LYS 8 2HZ LYS 8 6.471 -4.029 -11.894 61 H GLN 9 H GLN 9 8.551 2.922 -11.126 62 HA GLN 9 HA GLN 9 8.867 2.327 -13.865 63 HB2 GLN 9 2HB GLN 9 7.314 4.090 -12.306 64 HB3 GLN 9 3HB GLN 9 8.188 5.093 -13.457 65 HG2 GLN 9 2HG GLN 9 7.205 4.064 -15.293 66 HG3 GLN 9 3HG GLN 9 6.717 2.651 -14.359 67 HE21 GLN 9 1HE2 GLN 9 6.210 6.162 -14.435 68 HE22 GLN 9 2HE2 GLN 9 4.522 6.098 -14.077 69 H ARG 10 H ARG 10 10.198 5.003 -11.919 70 HA ARG 10 HA ARG 10 11.768 6.152 -13.910 71 HB2 ARG 10 2HB ARG 10 12.094 6.069 -10.914 72 HB3 ARG 10 3HB ARG 10 13.167 6.994 -11.955 73 HG2 ARG 10 2HG ARG 10 11.720 8.665 -12.071 74 HG3 ARG 10 3HG ARG 10 10.421 7.580 -12.570 75 HD2 ARG 10 2HD ARG 10 9.500 8.169 -10.605 76 HD3 ARG 10 3HD ARG 10 10.607 6.967 -9.942 77 HE ARG 10 HE ARG 10 11.771 9.578 -10.130 78 HH11 ARG 10 1HH1 ARG 10 9.762 7.498 -8.192 79 HH12 ARG 10 2HH1 ARG 10 10.109 8.326 -6.711 80 HH21 ARG 10 1HH2 ARG 10 12.235 10.677 -8.186 81 HH22 ARG 10 2HH2 ARG 10 11.515 10.135 -6.708 82 H LEU 11 H LEU 11 12.603 3.640 -11.544 83 HA LEU 11 HA LEU 11 15.296 3.355 -12.322 84 HB2 LEU 11 2HB LEU 11 13.547 2.195 -10.444 85 HB3 LEU 11 3HB LEU 11 14.211 0.870 -11.398 86 HG LEU 11 HG LEU 11 16.463 1.514 -10.793 87 HD11 LEU 11 1HD1 LEU 11 15.105 3.952 -9.871 88 HD12 LEU 11 2HD1 LEU 11 16.740 3.723 -10.490 89 HD13 LEU 11 3HD1 LEU 11 16.374 3.344 -8.807 90 HD21 LEU 11 3HD2 LEU 11 16.375 1.057 -8.396 91 HD22 LEU 11 1HD2 LEU 11 15.255 0.023 -9.283 92 HD23 LEU 11 2HD2 LEU 11 14.647 1.414 -8.385 93 H ALA 12 H ALA 12 12.320 1.895 -13.482 94 HA ALA 12 HA ALA 12 13.483 -0.128 -15.070 95 HB1 ALA 12 1HB ALA 12 10.817 1.192 -14.953 96 HB2 ALA 12 2HB ALA 12 11.211 0.195 -16.354 97 HB3 ALA 12 3HB ALA 12 11.249 -0.505 -14.736 98 H ALA 13 H ALA 13 12.457 3.186 -15.827 99 HA ALA 13 HA ALA 13 13.088 3.078 -18.579 100 HB1 ALA 13 1HB ALA 13 13.231 5.647 -17.075 101 HB2 ALA 13 2HB ALA 13 12.530 5.302 -18.657 102 HB3 ALA 13 3HB ALA 13 11.686 4.804 -17.191 103 H ILE 14 H ILE 14 14.922 4.149 -15.744 104 HA ILE 14 HA ILE 14 17.178 5.080 -17.184 105 HB ILE 14 HB ILE 14 17.016 4.116 -14.325 106 HG12 ILE 14 2HG1 ILE 14 17.064 6.981 -15.238 107 HG13 ILE 14 3HG1 ILE 14 15.547 6.092 -15.143 108 HG21 ILE 14 1HG2 ILE 14 19.008 6.106 -14.754 109 HG22 ILE 14 2HG2 ILE 14 19.203 4.451 -14.179 110 HG23 ILE 14 3HG2 ILE 14 19.258 4.796 -15.908 111 HD11 ILE 14 3HD1 ILE 14 16.413 5.558 -12.716 112 HD12 ILE 14 1HD1 ILE 14 17.336 7.038 -12.976 113 HD13 ILE 14 2HD1 ILE 14 15.576 7.064 -13.089 114 H LYS 15 H LYS 15 16.352 1.972 -15.728 115 HA LYS 15 HA LYS 15 18.877 0.752 -16.177 116 HB2 LYS 15 2HB LYS 15 16.974 0.022 -14.591 117 HB3 LYS 15 3HB LYS 15 16.277 -0.752 -16.008 118 HG2 LYS 15 2HG LYS 15 18.952 -1.559 -15.958 119 HG3 LYS 15 3HG LYS 15 18.391 -1.653 -14.287 120 HD2 LYS 15 2HD LYS 15 16.286 -2.737 -15.636 121 HD3 LYS 15 3HD LYS 15 17.650 -3.265 -16.625 122 HE2 LYS 15 2HE LYS 15 18.734 -4.092 -14.524 123 HE3 LYS 15 3HE LYS 15 17.230 -3.733 -13.677 124 HZ1 LYS 15 3HZ LYS 15 16.345 -5.617 -14.400 125 HZ2 LYS 15 1HZ LYS 15 17.862 -6.056 -15.007 126 HZ3 LYS 15 2HZ LYS 15 16.743 -5.279 -16.009 127 H THR 16 H THR 16 15.856 0.853 -18.011 128 HA THR 16 HA THR 16 16.586 -0.982 -20.016 129 HB THR 16 HB THR 16 14.678 1.359 -20.189 130 HG1 THR 16 HG1 THR 16 13.911 -1.339 -19.939 131 HG21 THR 16 3HG2 THR 16 13.938 -0.774 -21.897 132 HG22 THR 16 1HG2 THR 16 15.634 -0.413 -22.212 133 HG23 THR 16 2HG2 THR 16 14.422 0.861 -22.344 134 H ARG 17 H ARG 17 16.759 2.575 -19.953 135 HA ARG 17 HA ARG 17 17.949 2.831 -22.505 136 HB2 ARG 17 2HB ARG 17 17.929 4.691 -20.124 137 HB3 ARG 17 3HB ARG 17 18.558 5.130 -21.707 138 HG2 ARG 17 2HG ARG 17 16.498 5.326 -22.627 139 HG3 ARG 17 3HG ARG 17 15.803 4.061 -21.612 140 HD2 ARG 17 2HD ARG 17 14.798 5.844 -20.637 141 HD3 ARG 17 3HD ARG 17 16.306 5.877 -19.724 142 HE ARG 17 HE ARG 17 16.804 7.446 -21.894 143 HH11 ARG 17 1HH1 ARG 17 14.367 7.410 -19.408 144 HH12 ARG 17 2HH1 ARG 17 14.125 9.126 -19.439 145 HH21 ARG 17 1HH2 ARG 17 16.495 9.705 -21.944 146 HH22 ARG 17 2HH2 ARG 17 15.335 10.430 -20.883 147 H CYS 18 H CYS 18 19.250 2.350 -19.288 148 HA CYS 18 HA CYS 18 21.960 2.917 -19.984 149 HB2 CYS 18 2HB CYS 18 21.494 3.151 -17.700 150 HB3 CYS 18 3HB CYS 18 20.619 1.627 -17.627 151 HG CYS 18 HG CYS 18 22.729 0.003 -17.428 152 H GLN 19 H GLN 19 20.020 -0.023 -19.723 153 HA GLN 19 HA GLN 19 22.188 -1.803 -20.228 154 HB2 GLN 19 2HB GLN 19 19.198 -2.192 -20.422 155 HB3 GLN 19 3HB GLN 19 20.376 -3.486 -20.601 156 HG2 GLN 19 2HG GLN 19 20.703 -1.912 -18.162 157 HG3 GLN 19 3HG GLN 19 19.163 -2.763 -18.274 158 HE21 GLN 19 1HE2 GLN 19 19.581 -4.262 -16.715 159 HE22 GLN 19 2HE2 GLN 19 20.781 -5.494 -16.872 160 H ALA 20 H ALA 20 19.881 -0.095 -22.221 161 HA ALA 20 HA ALA 20 20.600 -1.558 -24.615 162 HB1 ALA 20 1HB ALA 20 18.391 -0.959 -24.744 163 HB2 ALA 20 2HB ALA 20 18.653 0.597 -23.955 164 HB3 ALA 20 3HB ALA 20 19.138 0.368 -25.635 165 H LEU 21 H LEU 21 21.404 1.456 -23.048 166 HA LEU 21 HA LEU 21 22.867 3.127 -23.550 167 HB2 LEU 21 2HB LEU 21 24.165 0.768 -24.888 168 HB3 LEU 21 3HB LEU 21 24.927 2.356 -24.820 169 HG LEU 21 HG LEU 21 24.217 0.607 -22.466 170 HD11 LEU 21 1HD1 LEU 21 26.595 0.918 -24.122 171 HD12 LEU 21 2HD1 LEU 21 26.165 -0.354 -22.979 172 HD13 LEU 21 3HD1 LEU 21 26.905 1.138 -22.400 173 HD21 LEU 21 3HD2 LEU 21 24.982 3.452 -22.694 174 HD22 LEU 21 1HD2 LEU 21 25.800 2.511 -21.446 175 HD23 LEU 21 2HD2 LEU 21 24.040 2.622 -21.454 176 H GLY 22 H GLY 22 20.986 3.934 -24.895 177 HA2 GLY 22 2HA GLY 22 20.697 3.666 -27.610 178 HA3 GLY 22 3HA GLY 22 20.384 5.163 -26.745 179 H GLY 23 H GLY 23 23.197 5.421 -25.900 180 HA2 GLY 23 2HA GLY 23 25.330 5.709 -27.026 181 HA3 GLY 23 3HA GLY 23 24.441 6.006 -28.512 182 H SER 24 H SER 24 23.705 7.369 -25.345 183 HA SER 24 HA SER 24 24.392 10.026 -26.423 184 HB2 SER 24 2HB SER 24 22.150 9.265 -24.537 185 HB3 SER 24 3HB SER 24 22.581 10.921 -24.960 186 HG SER 24 HG SER 24 21.625 10.688 -26.824 187 H GLU 25 H GLU 25 26.100 10.867 -25.447 188 HA GLU 25 HA GLU 25 27.298 9.873 -23.132 189 HB2 GLU 25 2HB GLU 25 28.518 12.101 -23.114 190 HB3 GLU 25 3HB GLU 25 28.647 11.154 -24.590 191 HG2 GLU 25 2HG GLU 25 27.843 12.828 -25.782 192 HG3 GLU 25 3HG GLU 25 26.387 12.881 -24.790 193 H ALA 26 H ALA 26 24.617 11.975 -23.512 194 HA ALA 26 HA ALA 26 24.818 13.138 -20.868 195 HB1 ALA 26 1HB ALA 26 23.184 14.571 -21.508 196 HB2 ALA 26 2HB ALA 26 23.718 14.075 -23.115 197 HB3 ALA 26 3HB ALA 26 22.290 13.334 -22.392 198 H GLU 27 H GLU 27 22.746 10.783 -22.533 199 HA GLU 27 HA GLU 27 20.927 10.233 -20.540 200 HB2 GLU 27 2HB GLU 27 22.148 8.524 -22.684 201 HB3 GLU 27 3HB GLU 27 21.012 7.831 -21.535 202 HG2 GLU 27 2HG GLU 27 19.431 9.703 -22.210 203 HG3 GLU 27 3HG GLU 27 20.532 9.994 -23.555 204 H CYS 28 H CYS 28 24.063 8.627 -21.066 205 HA CYS 28 HA CYS 28 23.979 6.877 -18.913 206 HB2 CYS 28 2HB CYS 28 26.451 8.268 -19.963 207 HB3 CYS 28 3HB CYS 28 26.389 6.733 -19.105 208 HG CYS 28 HG CYS 28 26.542 5.459 -21.332 209 H ALA 29 H ALA 29 25.188 10.210 -19.039 210 HA ALA 29 HA ALA 29 26.131 10.363 -16.405 211 HB1 ALA 29 1HB ALA 29 26.340 12.651 -16.738 212 HB2 ALA 29 2HB ALA 29 26.440 12.001 -18.375 213 HB3 ALA 29 3HB ALA 29 24.937 12.725 -17.805 214 H ALA 30 H ALA 30 22.953 11.173 -17.769 215 HA ALA 30 HA ALA 30 21.766 12.168 -15.448 216 HB1 ALA 30 1HB ALA 30 20.142 12.520 -16.916 217 HB2 ALA 30 2HB ALA 30 20.927 11.446 -18.075 218 HB3 ALA 30 3HB ALA 30 19.777 10.794 -16.909 219 H PHE 31 H PHE 31 22.080 8.854 -16.627 220 HA PHE 31 HA PHE 31 20.419 7.652 -14.682 221 HB2 PHE 31 2HB PHE 31 22.755 6.381 -16.121 222 HB3 PHE 31 3HB PHE 31 21.382 5.553 -15.394 223 HD1 PHE 31 HD1 PHE 31 19.227 7.437 -16.378 224 HD2 PHE 31 HD2 PHE 31 22.540 5.621 -18.338 225 HE1 PHE 31 HE1 PHE 31 18.021 7.556 -18.519 226 HE2 PHE 31 HE2 PHE 31 21.340 5.737 -20.482 227 HZ PHE 31 HZ PHE 31 19.078 6.707 -20.575 228 H GLU 32 H GLU 32 23.939 8.106 -14.848 229 HA GLU 32 HA GLU 32 24.630 6.799 -12.491 230 HB2 GLU 32 2HB GLU 32 25.894 8.605 -14.353 231 HB3 GLU 32 3HB GLU 32 26.358 9.006 -12.705 232 HG2 GLU 32 2HG GLU 32 26.486 6.182 -13.020 233 HG3 GLU 32 3HG GLU 32 27.346 6.944 -14.358 234 H LYS 33 H LYS 33 23.778 10.209 -13.003 235 HA LYS 33 HA LYS 33 24.072 10.966 -10.286 236 HB2 LYS 33 2HB LYS 33 23.249 12.206 -12.773 237 HB3 LYS 33 3HB LYS 33 22.221 12.716 -11.440 238 HG2 LYS 33 2HG LYS 33 23.927 13.777 -10.344 239 HG3 LYS 33 3HG LYS 33 25.172 12.752 -11.062 240 HD2 LYS 33 2HD LYS 33 25.272 13.991 -12.990 241 HD3 LYS 33 3HD LYS 33 23.600 14.539 -12.851 242 HE2 LYS 33 2HE LYS 33 25.386 15.445 -10.702 243 HE3 LYS 33 3HE LYS 33 25.782 16.064 -12.304 244 HZ1 LYS 33 3HZ LYS 33 23.589 16.732 -10.581 245 HZ2 LYS 33 1HZ LYS 33 23.087 16.361 -12.154 246 HZ3 LYS 33 2HZ LYS 33 24.226 17.584 -11.897 247 H GLU 34 H GLU 34 21.126 10.486 -12.245 248 HA GLU 34 HA GLU 34 19.248 10.750 -10.248 249 HB2 GLU 34 2HB GLU 34 19.232 8.951 -12.672 250 HB3 GLU 34 3HB GLU 34 17.827 9.202 -11.646 251 HG2 GLU 34 2HG GLU 34 17.588 11.416 -12.295 252 HG3 GLU 34 3HG GLU 34 19.247 11.525 -12.879 253 H ILE 35 H ILE 35 20.920 7.782 -11.263 254 HA ILE 35 HA ILE 35 19.665 6.056 -9.433 255 HB ILE 35 HB ILE 35 22.343 5.883 -10.805 256 HG12 ILE 35 2HG1 ILE 35 20.257 5.744 -12.182 257 HG13 ILE 35 3HG1 ILE 35 21.250 4.292 -12.248 258 HG21 ILE 35 1HG2 ILE 35 21.046 4.020 -8.858 259 HG22 ILE 35 2HG2 ILE 35 22.088 3.393 -10.134 260 HG23 ILE 35 3HG2 ILE 35 22.728 4.541 -8.958 261 HD11 ILE 35 3HD1 ILE 35 18.871 3.777 -12.085 262 HD12 ILE 35 1HD1 ILE 35 19.766 3.183 -10.687 263 HD13 ILE 35 2HD1 ILE 35 18.790 4.646 -10.552 264 H ALA 36 H ALA 36 22.655 7.940 -9.207 265 HA ALA 36 HA ALA 36 23.615 6.973 -6.786 266 HB1 ALA 36 1HB ALA 36 25.202 8.352 -7.540 267 HB2 ALA 36 2HB ALA 36 24.046 9.338 -8.436 268 HB3 ALA 36 3HB ALA 36 24.305 9.627 -6.716 269 H ALA 37 H ALA 37 21.408 9.701 -7.373 270 HA ALA 37 HA ALA 37 21.056 10.371 -4.649 271 HB1 ALA 37 1HB ALA 37 20.363 12.122 -5.894 272 HB2 ALA 37 2HB ALA 37 19.780 11.099 -7.207 273 HB3 ALA 37 3HB ALA 37 18.799 11.316 -5.758 274 H PHE 38 H PHE 38 19.372 8.171 -6.819 275 HA PHE 38 HA PHE 38 17.116 7.647 -5.255 276 HB2 PHE 38 2HB PHE 38 18.438 6.446 -7.554 277 HB3 PHE 38 3HB PHE 38 17.699 5.235 -6.511 278 HD1 PHE 38 HD2 PHE 38 16.729 8.664 -7.628 279 HD2 PHE 38 HD1 PHE 38 15.666 4.555 -7.308 280 HE1 PHE 38 HE2 PHE 38 14.532 9.159 -8.618 281 HE2 PHE 38 HE1 PHE 38 13.468 5.043 -8.299 282 HZ PHE 38 HZ PHE 38 12.898 7.348 -8.954 283 H GLU 39 H GLU 39 20.157 5.794 -5.451 284 HA GLU 39 HA GLU 39 19.531 3.988 -3.391 285 HB2 GLU 39 2HB GLU 39 21.974 3.539 -3.329 286 HB3 GLU 39 3HB GLU 39 21.301 3.493 -4.952 287 HG2 GLU 39 2HG GLU 39 22.135 5.770 -5.343 288 HG3 GLU 39 3HG GLU 39 22.853 5.765 -3.734 289 H SER 40 H SER 40 21.188 7.108 -3.357 290 HA SER 40 HA SER 40 21.991 7.037 -0.653 291 HB2 SER 40 2HB SER 40 23.019 8.610 -2.172 292 HB3 SER 40 3HB SER 40 21.464 9.373 -2.503 293 HG SER 40 HG SER 40 23.152 9.646 -0.324 294 H GLU 41 H GLU 41 19.029 8.053 -2.239 295 HA GLU 41 HA GLU 41 17.902 9.188 0.160 296 HB2 GLU 41 2HB GLU 41 17.026 8.821 -2.656 297 HB3 GLU 41 3HB GLU 41 15.767 8.964 -1.438 298 HG2 GLU 41 2HG GLU 41 17.989 10.953 -1.839 299 HG3 GLU 41 3HG GLU 41 16.367 11.106 -2.512 300 H LEU 42 H LEU 42 17.973 6.100 -1.397 301 HA LEU 42 HA LEU 42 15.682 5.032 -0.029 302 HB2 LEU 42 2HB LEU 42 17.889 3.763 -1.633 303 HB3 LEU 42 3HB LEU 42 16.581 2.841 -0.895 304 HG LEU 42 HG LEU 42 15.893 5.077 -2.743 305 HD11 LEU 42 1HD1 LEU 42 16.825 2.350 -3.627 306 HD12 LEU 42 2HD1 LEU 42 17.618 3.889 -3.961 307 HD13 LEU 42 3HD1 LEU 42 16.034 3.545 -4.656 308 HD21 LEU 42 3HD2 LEU 42 14.122 3.324 -3.330 309 HD22 LEU 42 1HD2 LEU 42 14.027 4.087 -1.743 310 HD23 LEU 42 2HD2 LEU 42 14.690 2.460 -1.901 311 H GLN 43 H GLN 43 19.143 5.132 0.489 312 HA GLN 43 HA GLN 43 19.196 3.180 2.565 313 HB2 GLN 43 2HB GLN 43 21.464 3.789 2.881 314 HB3 GLN 43 3HB GLN 43 21.163 3.929 1.154 315 HG2 GLN 43 2HG GLN 43 21.963 5.985 1.234 316 HG3 GLN 43 3HG GLN 43 20.582 6.444 2.229 317 HE21 GLN 43 1HE2 GLN 43 23.947 5.733 2.159 318 HE22 GLN 43 2HE2 GLN 43 24.290 6.134 3.803 319 H ALA 44 H ALA 44 18.261 6.462 2.417 320 HA ALA 44 HA ALA 44 18.761 7.081 5.181 321 HB1 ALA 44 1HB ALA 44 16.828 8.633 3.526 322 HB2 ALA 44 2HB ALA 44 18.003 9.197 4.715 323 HB3 ALA 44 3HB ALA 44 18.543 8.681 3.118 324 H TYR 45 H TYR 45 16.178 5.684 3.336 325 HA TYR 45 HA TYR 45 13.964 6.177 4.907 326 HB2 TYR 45 2HB TYR 45 14.779 3.876 3.175 327 HB3 TYR 45 3HB TYR 45 13.320 3.742 4.150 328 HD1 TYR 45 HD2 TYR 45 12.097 6.341 4.007 329 HD2 TYR 45 HD1 TYR 45 14.170 4.200 0.970 330 HE1 TYR 45 HE2 TYR 45 10.832 7.565 2.289 331 HE2 TYR 45 HE1 TYR 45 12.911 5.419 -0.756 332 HH TYR 45 HH TYR 45 11.521 7.139 -1.152 333 H LYS 46 H LYS 46 16.591 3.911 5.432 334 HA LYS 46 HA LYS 46 17.221 2.694 7.246 335 HB2 LYS 46 2HB LYS 46 15.915 5.008 8.295 336 HB3 LYS 46 3HB LYS 46 15.481 3.626 9.294 337 HG2 LYS 46 2HG LYS 46 18.098 3.190 9.140 338 HG3 LYS 46 3HG LYS 46 18.104 4.939 8.900 339 HD2 LYS 46 2HD LYS 46 16.868 5.248 10.971 340 HD3 LYS 46 3HD LYS 46 16.777 3.500 11.199 341 HE2 LYS 46 2HE LYS 46 19.251 3.431 11.286 342 HE3 LYS 46 3HE LYS 46 19.277 5.190 11.173 343 HZ1 LYS 46 3HZ LYS 46 19.470 4.595 13.450 344 HZ2 LYS 46 1HZ LYS 46 18.140 3.552 13.370 345 HZ3 LYS 46 2HZ LYS 46 17.915 5.223 13.235 346 H GLY 47 H GLY 47 14.746 2.064 5.589 347 HA2 GLY 47 2HA GLY 47 13.349 0.330 7.517 348 HA3 GLY 47 3HA GLY 47 12.706 0.840 5.963 349 H LYS 48 H LYS 48 15.948 -0.409 6.570 350 HA LYS 48 HA LYS 48 15.917 -2.179 4.410 351 HB2 LYS 48 2HB LYS 48 17.881 -1.265 5.898 352 HB3 LYS 48 3HB LYS 48 17.607 -2.739 6.817 353 HG2 LYS 48 2HG LYS 48 17.799 -3.931 4.540 354 HG3 LYS 48 3HG LYS 48 18.541 -2.426 3.993 355 HD2 LYS 48 2HD LYS 48 19.637 -3.315 6.526 356 HD3 LYS 48 3HD LYS 48 19.814 -4.540 5.266 357 HE2 LYS 48 2HE LYS 48 20.542 -1.674 4.763 358 HE3 LYS 48 3HE LYS 48 21.673 -2.776 5.547 359 HZ1 LYS 48 3HZ LYS 48 20.825 -2.658 2.782 360 HZ2 LYS 48 1HZ LYS 48 20.908 -4.219 3.430 361 HZ3 LYS 48 2HZ LYS 48 22.275 -3.222 3.448 362 H GLY 49 H GLY 49 14.584 -2.483 7.563 363 HA2 GLY 49 2HA GLY 49 14.635 -5.201 8.050 364 HA3 GLY 49 3HA GLY 49 13.309 -4.144 8.510 365 H ASN 50 H ASN 50 12.776 -3.464 5.666 366 HA ASN 50 HA ASN 50 11.373 -5.954 4.963 367 HB2 ASN 50 2HB ASN 50 10.665 -3.056 4.613 368 HB3 ASN 50 3HB ASN 50 9.936 -4.282 3.579 369 HD21 ASN 50 1HD2 ASN 50 8.948 -6.147 4.761 370 HD22 ASN 50 2HD2 ASN 50 8.069 -5.786 6.204 371 HA PRO 51 HA PRO 51 13.512 -6.290 1.146 372 HB2 PRO 51 2HB PRO 51 11.562 -7.197 -0.510 373 HB3 PRO 51 3HB PRO 51 12.291 -8.196 0.751 374 HG2 PRO 51 2HG PRO 51 9.699 -6.700 0.783 375 HG3 PRO 51 3HG PRO 51 10.053 -8.336 1.367 376 HD2 PRO 51 2HD PRO 51 9.871 -6.205 3.026 377 HD3 PRO 51 3HD PRO 51 10.960 -7.571 3.342 378 H GLU 52 H GLU 52 10.808 -4.183 1.430 379 HA GLU 52 HA GLU 52 10.497 -3.135 -1.098 380 HB2 GLU 52 2HB GLU 52 9.899 -0.985 0.070 381 HB3 GLU 52 3HB GLU 52 9.039 -2.410 0.639 382 HG2 GLU 52 2HG GLU 52 10.759 -2.553 2.483 383 HG3 GLU 52 3HG GLU 52 11.290 -0.949 1.982 384 H VAL 53 H VAL 53 12.842 -2.126 1.379 385 HA VAL 53 HA VAL 53 14.126 -0.270 -0.418 386 HB VAL 53 HB VAL 53 15.132 -1.231 2.261 387 HG11 VAL 53 1HG1 VAL 53 16.904 -0.093 1.362 388 HG12 VAL 53 2HG1 VAL 53 15.877 0.956 0.384 389 HG13 VAL 53 3HG1 VAL 53 16.032 1.240 2.118 390 HG21 VAL 53 3HG2 VAL 53 12.915 0.562 1.566 391 HG22 VAL 53 1HG2 VAL 53 13.249 -0.305 3.065 392 HG23 VAL 53 2HG2 VAL 53 14.062 1.224 2.731 393 H GLU 54 H GLU 54 14.433 -3.594 0.384 394 HA GLU 54 HA GLU 54 17.180 -3.946 -0.225 395 HB2 GLU 54 2HB GLU 54 14.875 -5.899 -0.270 396 HB3 GLU 54 3HB GLU 54 16.561 -6.357 -0.463 397 HG2 GLU 54 2HG GLU 54 16.918 -5.184 1.797 398 HG3 GLU 54 3HG GLU 54 15.166 -5.299 1.961 399 H ALA 55 H ALA 55 14.222 -4.440 -2.135 400 HA ALA 55 HA ALA 55 15.577 -5.211 -4.507 401 HB1 ALA 55 1HB ALA 55 13.470 -5.886 -4.819 402 HB2 ALA 55 2HB ALA 55 12.825 -4.694 -3.690 403 HB3 ALA 55 3HB ALA 55 13.160 -4.236 -5.360 404 H LEU 56 H LEU 56 14.175 -2.133 -3.420 405 HA LEU 56 HA LEU 56 14.680 -0.644 -5.727 406 HB2 LEU 56 2HB LEU 56 14.105 -0.073 -2.902 407 HB3 LEU 56 3HB LEU 56 14.952 1.210 -3.764 408 HG LEU 56 HG LEU 56 13.163 1.526 -5.262 409 HD11 LEU 56 1HD1 LEU 56 12.379 -0.467 -6.017 410 HD12 LEU 56 2HD1 LEU 56 11.097 -0.093 -4.866 411 HD13 LEU 56 3HD1 LEU 56 12.388 -1.208 -4.416 412 HD21 LEU 56 3HD2 LEU 56 11.234 1.131 -3.218 413 HD22 LEU 56 1HD2 LEU 56 12.026 2.628 -3.710 414 HD23 LEU 56 2HD2 LEU 56 12.747 1.620 -2.455 415 H ARG 57 H ARG 57 16.647 -0.910 -2.766 416 HA ARG 57 HA ARG 57 18.790 0.657 -3.685 417 HB2 ARG 57 2HB ARG 57 18.223 -0.227 -1.296 418 HB3 ARG 57 3HB ARG 57 19.191 -1.615 -1.771 419 HG2 ARG 57 2HG ARG 57 21.121 -0.490 -1.596 420 HG3 ARG 57 3HG ARG 57 20.443 0.985 -2.287 421 HD2 ARG 57 2HD ARG 57 20.238 1.871 -0.263 422 HD3 ARG 57 3HD ARG 57 19.235 0.516 0.253 423 HE ARG 57 HE ARG 57 22.067 -0.023 0.273 424 HH11 ARG 57 1HH1 ARG 57 19.346 1.187 2.077 425 HH12 ARG 57 2HH1 ARG 57 20.070 0.887 3.622 426 HH21 ARG 57 1HH2 ARG 57 23.031 -0.423 2.301 427 HH22 ARG 57 2HH2 ARG 57 22.166 -0.028 3.748 428 H LYS 58 H LYS 58 18.155 -2.811 -3.887 429 HA LYS 58 HA LYS 58 20.645 -3.616 -4.890 430 HB2 LYS 58 2HB LYS 58 18.992 -5.206 -4.052 431 HB3 LYS 58 3HB LYS 58 17.906 -4.802 -5.376 432 HG2 LYS 58 2HG LYS 58 18.903 -6.236 -6.745 433 HG3 LYS 58 3HG LYS 58 20.507 -5.616 -6.344 434 HD2 LYS 58 2HD LYS 58 19.065 -7.372 -4.401 435 HD3 LYS 58 3HD LYS 58 19.883 -8.091 -5.790 436 HE2 LYS 58 2HE LYS 58 21.944 -7.628 -4.981 437 HE3 LYS 58 3HE LYS 58 21.435 -6.099 -4.265 438 HZ1 LYS 58 3HZ LYS 58 20.236 -8.322 -2.949 439 HZ2 LYS 58 1HZ LYS 58 21.170 -7.068 -2.302 440 HZ3 LYS 58 2HZ LYS 58 21.923 -8.444 -2.933 441 H GLU 59 H GLU 59 17.630 -2.935 -6.673 442 HA GLU 59 HA GLU 59 18.637 -3.231 -9.242 443 HB2 GLU 59 2HB GLU 59 16.324 -1.841 -8.028 444 HB3 GLU 59 3HB GLU 59 16.791 -1.296 -9.633 445 HG2 GLU 59 2HG GLU 59 16.275 -3.304 -10.619 446 HG3 GLU 59 3HG GLU 59 16.472 -4.212 -9.121 447 H ALA 60 H ALA 60 18.316 -0.221 -7.360 448 HA ALA 60 HA ALA 60 19.402 1.558 -9.159 449 HB1 ALA 60 1HB ALA 60 18.901 1.503 -6.316 450 HB2 ALA 60 2HB ALA 60 20.366 2.412 -6.693 451 HB3 ALA 60 3HB ALA 60 18.834 2.856 -7.446 452 H ALA 61 H ALA 61 21.156 -0.283 -6.661 453 HA ALA 61 HA ALA 61 23.719 0.625 -7.209 454 HB1 ALA 61 1HB ALA 61 24.474 -1.569 -6.249 455 HB2 ALA 61 2HB ALA 61 23.340 -0.662 -5.248 456 HB3 ALA 61 3HB ALA 61 22.777 -2.045 -6.186 457 H ALA 62 H ALA 62 21.962 -2.102 -8.649 458 HA ALA 62 HA ALA 62 24.011 -3.106 -10.253 459 HB1 ALA 62 1HB ALA 62 21.733 -3.547 -11.734 460 HB2 ALA 62 2HB ALA 62 22.356 -4.589 -10.454 461 HB3 ALA 62 3HB ALA 62 21.119 -3.385 -10.089 462 H ILE 63 H ILE 63 21.527 -0.677 -11.019 463 HA ILE 63 HA ILE 63 22.268 -0.213 -13.673 464 HB ILE 63 HB ILE 63 21.103 1.791 -11.737 465 HG12 ILE 63 2HG1 ILE 63 19.629 0.008 -13.678 466 HG13 ILE 63 3HG1 ILE 63 19.858 -0.402 -11.981 467 HG21 ILE 63 1HG2 ILE 63 21.839 2.977 -13.628 468 HG22 ILE 63 2HG2 ILE 63 21.304 1.711 -14.732 469 HG23 ILE 63 3HG2 ILE 63 20.117 2.709 -13.894 470 HD11 ILE 63 3HD1 ILE 63 18.444 2.050 -13.000 471 HD12 ILE 63 1HD1 ILE 63 17.662 0.580 -12.422 472 HD13 ILE 63 2HD1 ILE 63 18.618 1.564 -11.314 473 H ARG 64 H ARG 64 23.356 1.352 -10.681 474 HA ARG 64 HA ARG 64 24.973 3.318 -11.825 475 HB2 ARG 64 2HB ARG 64 24.368 3.293 -9.449 476 HB3 ARG 64 3HB ARG 64 25.351 1.855 -9.206 477 HG2 ARG 64 2HG ARG 64 27.169 3.543 -10.294 478 HG3 ARG 64 3HG ARG 64 26.138 4.670 -9.410 479 HD2 ARG 64 2HD ARG 64 26.402 3.226 -7.398 480 HD3 ARG 64 3HD ARG 64 27.558 2.252 -8.304 481 HE ARG 64 HE ARG 64 28.209 5.050 -8.239 482 HH11 ARG 64 1HH1 ARG 64 28.488 2.007 -6.571 483 HH12 ARG 64 2HH1 ARG 64 29.917 2.464 -5.705 484 HH21 ARG 64 1HH2 ARG 64 30.089 5.664 -7.105 485 HH22 ARG 64 2HH2 ARG 64 30.827 4.545 -6.008 486 H ASP 65 H ASP 65 25.805 0.026 -10.772 487 HA ASP 65 HA ASP 65 28.527 0.106 -11.378 488 HB2 ASP 65 2HB ASP 65 26.641 -2.257 -11.501 489 HB3 ASP 65 3HB ASP 65 28.399 -2.359 -11.463 490 H GLU 66 H GLU 66 25.761 -0.792 -13.404 491 HA GLU 66 HA GLU 66 27.195 -1.621 -15.660 492 HB2 GLU 66 2HB GLU 66 24.502 -0.253 -15.665 493 HB3 GLU 66 3HB GLU 66 25.141 -1.335 -16.894 494 HG2 GLU 66 2HG GLU 66 25.165 -2.639 -14.345 495 HG3 GLU 66 3HG GLU 66 23.561 -1.987 -14.675 496 H CYS 67 H CYS 67 25.849 1.571 -14.854 497 HA CYS 67 HA CYS 67 26.619 2.918 -17.165 498 HB2 CYS 67 2HB CYS 67 26.305 3.911 -14.329 499 HB3 CYS 67 3HB CYS 67 26.569 4.977 -15.704 500 HG CYS 67 HG CYS 67 23.860 5.047 -14.984 501 H GLN 68 H GLN 68 28.414 2.319 -14.179 502 HA GLN 68 HA GLN 68 30.674 3.884 -14.884 503 HB2 GLN 68 2HB GLN 68 30.647 1.528 -12.999 504 HB3 GLN 68 3HB GLN 68 31.758 2.892 -12.994 505 HG2 GLN 68 2HG GLN 68 29.149 3.942 -12.761 506 HG3 GLN 68 3HG GLN 68 29.278 2.593 -11.633 507 HE21 GLN 68 1HE2 GLN 68 29.427 3.648 -9.743 508 HE22 GLN 68 2HE2 GLN 68 30.680 4.766 -9.338 509 H ALA 69 H ALA 69 29.733 0.570 -15.482 510 HA ALA 69 HA ALA 69 32.325 -0.235 -16.443 511 HB1 ALA 69 1HB ALA 69 31.107 -2.299 -17.161 512 HB2 ALA 69 2HB ALA 69 30.967 -1.922 -15.443 513 HB3 ALA 69 3HB ALA 69 29.627 -1.571 -16.535 514 H TYR 70 H TYR 70 29.920 1.671 -17.706 515 HA TYR 70 HA TYR 70 30.475 0.868 -20.477 516 HB2 TYR 70 2HB TYR 70 28.283 2.621 -19.351 517 HB3 TYR 70 3HB TYR 70 28.504 2.260 -21.059 518 HD1 TYR 70 HD2 TYR 70 29.296 -0.683 -20.635 519 HD2 TYR 70 HD1 TYR 70 26.098 1.684 -19.129 520 HE1 TYR 70 HE2 TYR 70 27.922 -2.708 -20.387 521 HE2 TYR 70 HE1 TYR 70 24.716 -0.334 -18.875 522 HH TYR 70 HH TYR 70 25.047 -2.983 -20.314 523 H ARG 71 H ARG 71 30.607 3.567 -18.231 524 HA ARG 71 HA ARG 71 32.349 4.977 -20.130 525 HB2 ARG 71 2HB ARG 71 29.861 5.844 -19.830 526 HB3 ARG 71 3HB ARG 71 30.539 6.582 -18.385 527 HG2 ARG 71 2HG ARG 71 32.381 7.367 -20.141 528 HG3 ARG 71 3HG ARG 71 31.006 7.207 -21.235 529 HD2 ARG 71 2HD ARG 71 29.804 8.533 -19.261 530 HD3 ARG 71 3HD ARG 71 31.453 9.099 -18.997 531 HE ARG 71 HE ARG 71 29.702 9.900 -21.076 532 HH11 ARG 71 1HH1 ARG 71 33.048 9.217 -20.403 533 HH12 ARG 71 2HH1 ARG 71 33.648 10.275 -21.638 534 HH21 ARG 71 1HH2 ARG 71 30.478 11.295 -22.705 535 HH22 ARG 71 2HH2 ARG 71 32.185 11.457 -22.946 536 H HIS 72 H HIS 72 33.208 3.347 -18.039 537 HA HIS 72 HA HIS 72 34.996 5.044 -16.695 538 HB2 HIS 72 2HB HIS 72 32.498 5.042 -15.479 539 HB3 HIS 72 3HB HIS 72 33.431 3.893 -14.525 540 HD1 HIS 72 HD1 HIS 72 36.085 5.097 -14.186 541 HD2 HIS 72 HD2 HIS 72 32.651 7.434 -14.255 542 HE1 HIS 72 HE1 HIS 72 36.703 7.234 -13.013 543 H ASN 73 H ASN 73 34.920 2.559 -18.177 544 HA ASN 73 HA ASN 73 36.474 0.939 -16.319 545 HB2 ASN 73 2HB ASN 73 34.364 -0.132 -16.076 546 HB3 ASN 73 3HB ASN 73 34.043 -0.052 -17.806 547 HD21 ASN 73 1HD2 ASN 73 35.824 -1.659 -15.289 548 HD22 ASN 73 2HD2 ASN 73 36.287 -3.038 -16.221 Start of MODEL 7 1 H1 MET 1 H MET 1 0.344 0.681 -1.380 2 HA MET 1 HA MET 1 2.606 0.178 -2.710 3 HB2 MET 1 2HB MET 1 0.545 2.304 -3.171 4 HB3 MET 1 3HB MET 1 1.934 2.187 -4.243 5 HG2 MET 1 2HG MET 1 0.966 0.556 -5.371 6 HG3 MET 1 3HG MET 1 0.820 -0.409 -3.904 7 HE1 MET 1 3HE MET 1 -2.018 -1.475 -4.320 8 HE2 MET 1 1HE MET 1 -2.530 -0.640 -5.787 9 HE3 MET 1 2HE MET 1 -0.879 -1.243 -5.647 10 H GLY 2 H GLY 2 1.911 3.290 -1.138 11 HA2 GLY 2 2HA GLY 2 3.302 4.985 -0.460 12 HA3 GLY 2 3HA GLY 2 4.558 3.761 -0.357 13 H SER 3 H SER 3 6.303 4.472 -1.380 14 HA SER 3 HA SER 3 5.946 5.883 -3.940 15 HB2 SER 3 2HB SER 3 8.299 6.001 -2.037 16 HB3 SER 3 3HB SER 3 8.129 6.921 -3.532 17 HG SER 3 HG SER 3 6.364 7.086 -1.314 18 H TRP 4 H TRP 4 6.030 2.965 -3.482 19 HA TRP 4 HA TRP 4 8.582 2.063 -4.458 20 HB2 TRP 4 2HB TRP 4 7.403 0.562 -3.023 21 HB3 TRP 4 3HB TRP 4 5.942 0.672 -4.000 22 HD1 TRP 4 HD1 TRP 4 6.064 -0.551 -6.469 23 HE1 TRP 4 HE1 TRP 4 7.361 -2.655 -7.189 24 HE3 TRP 4 HE3 TRP 4 9.462 -0.756 -2.654 25 HZ2 TRP 4 HZ2 TRP 4 9.536 -4.197 -6.263 26 HZ3 TRP 4 HZ3 TRP 4 11.116 -2.578 -2.645 27 HH2 TRP 4 HH2 TRP 4 11.151 -4.262 -4.413 28 H ALA 5 H ALA 5 5.282 2.166 -5.801 29 HA ALA 5 HA ALA 5 5.793 1.182 -8.326 30 HB1 ALA 5 1HB ALA 5 3.939 3.337 -8.568 31 HB2 ALA 5 2HB ALA 5 3.627 1.601 -8.552 32 HB3 ALA 5 3HB ALA 5 3.660 2.505 -7.038 33 H GLU 6 H GLU 6 6.021 4.556 -7.223 34 HA GLU 6 HA GLU 6 6.757 5.676 -9.684 35 HB2 GLU 6 2HB GLU 6 7.545 6.619 -6.922 36 HB3 GLU 6 3HB GLU 6 7.555 7.585 -8.391 37 HG2 GLU 6 2HG GLU 6 4.964 6.450 -8.051 38 HG3 GLU 6 3HG GLU 6 5.457 7.226 -6.547 39 H PHE 7 H PHE 7 8.778 4.556 -6.980 40 HA PHE 7 HA PHE 7 11.258 5.150 -8.148 41 HB2 PHE 7 2HB PHE 7 10.290 3.590 -5.862 42 HB3 PHE 7 3HB PHE 7 11.781 2.966 -6.560 43 HD1 PHE 7 HD2 PHE 7 10.373 6.341 -5.796 44 HD2 PHE 7 HD1 PHE 7 13.672 3.670 -5.490 45 HE1 PHE 7 HE2 PHE 7 11.651 8.064 -4.592 46 HE2 PHE 7 HE1 PHE 7 14.956 5.388 -4.284 47 HZ PHE 7 HZ PHE 7 13.946 7.589 -3.835 48 H LYS 8 H LYS 8 9.193 2.307 -8.360 49 HA LYS 8 HA LYS 8 11.046 0.644 -9.707 50 HB2 LYS 8 2HB LYS 8 8.193 0.576 -9.027 51 HB3 LYS 8 3HB LYS 8 8.581 -0.251 -10.530 52 HG2 LYS 8 2HG LYS 8 10.521 -1.219 -8.919 53 HG3 LYS 8 3HG LYS 8 9.218 -0.969 -7.755 54 HD2 LYS 8 2HD LYS 8 8.987 -3.185 -8.578 55 HD3 LYS 8 3HD LYS 8 7.713 -2.227 -9.336 56 HE2 LYS 8 2HE LYS 8 9.041 -2.032 -11.363 57 HE3 LYS 8 3HE LYS 8 10.361 -2.921 -10.605 58 HZ1 LYS 8 3HZ LYS 8 9.298 -4.548 -11.807 59 HZ2 LYS 8 1HZ LYS 8 7.753 -3.914 -11.535 60 HZ3 LYS 8 2HZ LYS 8 8.562 -4.732 -10.295 61 H GLN 9 H GLN 9 8.570 2.900 -10.827 62 HA GLN 9 HA GLN 9 8.742 2.269 -13.570 63 HB2 GLN 9 2HB GLN 9 7.300 4.083 -11.952 64 HB3 GLN 9 3HB GLN 9 8.108 5.043 -13.185 65 HG2 GLN 9 2HG GLN 9 7.069 3.811 -14.935 66 HG3 GLN 9 3HG GLN 9 6.435 2.623 -13.798 67 HE21 GLN 9 1HE2 GLN 9 4.384 2.854 -13.308 68 HE22 GLN 9 2HE2 GLN 9 3.483 4.328 -13.342 69 H ARG 10 H ARG 10 10.108 5.057 -11.807 70 HA ARG 10 HA ARG 10 11.632 6.076 -13.898 71 HB2 ARG 10 2HB ARG 10 12.235 6.173 -10.936 72 HB3 ARG 10 3HB ARG 10 12.957 7.211 -12.158 73 HG2 ARG 10 2HG ARG 10 11.219 8.597 -12.144 74 HG3 ARG 10 3HG ARG 10 10.059 7.271 -12.242 75 HD2 ARG 10 2HD ARG 10 9.498 7.861 -10.156 76 HD3 ARG 10 3HD ARG 10 10.980 7.030 -9.684 77 HE ARG 10 HE ARG 10 11.827 9.049 -9.067 78 HH11 ARG 10 1HH1 ARG 10 9.301 9.586 -11.402 79 HH12 ARG 10 2HH1 ARG 10 9.384 11.313 -11.289 80 HH21 ARG 10 1HH2 ARG 10 11.947 11.322 -8.910 81 HH22 ARG 10 2HH2 ARG 10 10.890 12.299 -9.873 82 H LEU 11 H LEU 11 12.501 3.693 -11.423 83 HA LEU 11 HA LEU 11 15.198 3.394 -12.182 84 HB2 LEU 11 2HB LEU 11 13.260 1.660 -10.692 85 HB3 LEU 11 3HB LEU 11 14.888 1.095 -11.060 86 HG LEU 11 HG LEU 11 14.343 3.627 -9.524 87 HD11 LEU 11 1HD1 LEU 11 14.151 0.842 -8.672 88 HD12 LEU 11 2HD1 LEU 11 13.586 2.314 -7.883 89 HD13 LEU 11 3HD1 LEU 11 15.265 1.807 -7.703 90 HD21 LEU 11 3HD2 LEU 11 16.566 3.820 -9.324 91 HD22 LEU 11 1HD2 LEU 11 16.629 2.738 -10.716 92 HD23 LEU 11 2HD2 LEU 11 16.794 2.087 -9.085 93 H ALA 12 H ALA 12 12.236 1.845 -13.276 94 HA ALA 12 HA ALA 12 13.432 -0.209 -14.799 95 HB1 ALA 12 1HB ALA 12 11.242 -0.347 -15.937 96 HB2 ALA 12 2HB ALA 12 11.106 -0.333 -14.178 97 HB3 ALA 12 3HB ALA 12 10.746 1.125 -15.102 98 H ALA 13 H ALA 13 12.330 3.053 -15.663 99 HA ALA 13 HA ALA 13 12.932 2.864 -18.416 100 HB1 ALA 13 1HB ALA 13 12.217 5.006 -18.557 101 HB2 ALA 13 2HB ALA 13 11.589 4.653 -16.946 102 HB3 ALA 13 3HB ALA 13 13.116 5.517 -17.128 103 H ILE 14 H ILE 14 14.793 4.024 -15.638 104 HA ILE 14 HA ILE 14 17.008 4.980 -17.111 105 HB ILE 14 HB ILE 14 16.872 4.010 -14.254 106 HG12 ILE 14 2HG1 ILE 14 17.061 6.876 -15.100 107 HG13 ILE 14 3HG1 ILE 14 15.499 6.066 -15.155 108 HG21 ILE 14 1HG2 ILE 14 19.118 4.737 -15.881 109 HG22 ILE 14 2HG2 ILE 14 18.922 5.897 -14.568 110 HG23 ILE 14 3HG2 ILE 14 19.085 4.179 -14.209 111 HD11 ILE 14 3HD1 ILE 14 16.656 5.491 -12.646 112 HD12 ILE 14 1HD1 ILE 14 16.835 7.221 -12.933 113 HD13 ILE 14 2HD1 ILE 14 15.238 6.476 -13.003 114 H LYS 15 H LYS 15 16.269 1.848 -15.656 115 HA LYS 15 HA LYS 15 18.796 0.667 -16.161 116 HB2 LYS 15 2HB LYS 15 16.794 -0.085 -14.621 117 HB3 LYS 15 3HB LYS 15 16.294 -0.969 -16.057 118 HG2 LYS 15 2HG LYS 15 17.927 -2.492 -15.846 119 HG3 LYS 15 3HG LYS 15 19.116 -1.299 -15.318 120 HD2 LYS 15 2HD LYS 15 18.844 -1.946 -13.209 121 HD3 LYS 15 3HD LYS 15 17.127 -1.545 -13.296 122 HE2 LYS 15 2HE LYS 15 18.171 -4.126 -14.406 123 HE3 LYS 15 3HE LYS 15 17.813 -3.957 -12.688 124 HZ1 LYS 15 3HZ LYS 15 15.917 -3.609 -14.944 125 HZ2 LYS 15 1HZ LYS 15 15.547 -3.249 -13.333 126 HZ3 LYS 15 2HZ LYS 15 15.904 -4.839 -13.783 127 H THR 16 H THR 16 15.750 0.727 -17.960 128 HA THR 16 HA THR 16 16.490 -1.056 -20.000 129 HB THR 16 HB THR 16 14.560 1.268 -20.146 130 HG1 THR 16 HG1 THR 16 14.078 -1.499 -19.651 131 HG21 THR 16 3HG2 THR 16 13.525 -0.160 -21.963 132 HG22 THR 16 1HG2 THR 16 15.019 -1.096 -21.956 133 HG23 THR 16 2HG2 THR 16 15.054 0.617 -22.375 134 H ARG 17 H ARG 17 16.552 2.509 -19.950 135 HA ARG 17 HA ARG 17 17.756 2.793 -22.486 136 HB2 ARG 17 2HB ARG 17 17.665 4.650 -20.106 137 HB3 ARG 17 3HB ARG 17 18.308 5.109 -21.676 138 HG2 ARG 17 2HG ARG 17 16.223 5.045 -22.692 139 HG3 ARG 17 3HG ARG 17 15.529 4.036 -21.422 140 HD2 ARG 17 2HD ARG 17 14.656 5.968 -20.680 141 HD3 ARG 17 3HD ARG 17 16.263 6.227 -20.003 142 HE ARG 17 HE ARG 17 16.611 7.888 -21.544 143 HH11 ARG 17 1HH1 ARG 17 13.830 6.013 -22.477 144 HH12 ARG 17 2HH1 ARG 17 13.363 7.097 -23.746 145 HH21 ARG 17 1HH2 ARG 17 16.007 9.322 -23.212 146 HH22 ARG 17 2HH2 ARG 17 14.602 8.978 -24.164 147 H CYS 18 H CYS 18 19.057 2.313 -19.275 148 HA CYS 18 HA CYS 18 21.752 2.977 -19.941 149 HB2 CYS 18 2HB CYS 18 21.264 3.147 -17.655 150 HB3 CYS 18 3HB CYS 18 20.437 1.595 -17.621 151 HG CYS 18 HG CYS 18 22.459 0.174 -16.912 152 H GLN 19 H GLN 19 19.905 -0.029 -19.752 153 HA GLN 19 HA GLN 19 22.128 -1.731 -20.275 154 HB2 GLN 19 2HB GLN 19 19.154 -2.203 -20.523 155 HB3 GLN 19 3HB GLN 19 20.372 -3.457 -20.709 156 HG2 GLN 19 2HG GLN 19 20.709 -1.984 -18.241 157 HG3 GLN 19 3HG GLN 19 19.107 -2.709 -18.370 158 HE21 GLN 19 1HE2 GLN 19 22.540 -3.335 -18.307 159 HE22 GLN 19 2HE2 GLN 19 22.426 -5.016 -17.925 160 H ALA 20 H ALA 20 19.781 -0.063 -22.262 161 HA ALA 20 HA ALA 20 20.582 -1.443 -24.678 162 HB1 ALA 20 1HB ALA 20 18.724 -0.591 -25.610 163 HB2 ALA 20 2HB ALA 20 18.268 -0.241 -23.943 164 HB3 ALA 20 3HB ALA 20 18.998 1.017 -24.939 165 H LEU 21 H LEU 21 21.270 1.560 -23.034 166 HA LEU 21 HA LEU 21 22.692 3.282 -23.474 167 HB2 LEU 21 2HB LEU 21 24.066 1.001 -24.869 168 HB3 LEU 21 3HB LEU 21 24.780 2.608 -24.754 169 HG LEU 21 HG LEU 21 24.110 0.778 -22.451 170 HD11 LEU 21 1HD1 LEU 21 26.270 0.690 -24.134 171 HD12 LEU 21 2HD1 LEU 21 26.228 0.077 -22.482 172 HD13 LEU 21 3HD1 LEU 21 26.854 1.693 -22.807 173 HD21 LEU 21 3HD2 LEU 21 24.085 2.595 -21.177 174 HD22 LEU 21 1HD2 LEU 21 24.458 3.625 -22.559 175 HD23 LEU 21 2HD2 LEU 21 25.765 2.887 -21.631 176 H GLY 22 H GLY 22 20.813 4.096 -24.801 177 HA2 GLY 22 2HA GLY 22 20.522 3.895 -27.519 178 HA3 GLY 22 3HA GLY 22 20.195 5.367 -26.617 179 H GLY 23 H GLY 23 23.003 5.644 -25.772 180 HA2 GLY 23 2HA GLY 23 25.132 5.992 -26.882 181 HA3 GLY 23 3HA GLY 23 24.244 6.290 -28.370 182 H SER 24 H SER 24 23.293 7.621 -25.275 183 HA SER 24 HA SER 24 23.991 10.295 -26.295 184 HB2 SER 24 2HB SER 24 21.769 9.477 -24.408 185 HB3 SER 24 3HB SER 24 22.148 11.140 -24.857 186 HG SER 24 HG SER 24 21.464 10.762 -26.891 187 H GLU 25 H GLU 25 25.658 11.194 -25.299 188 HA GLU 25 HA GLU 25 26.888 10.212 -22.997 189 HB2 GLU 25 2HB GLU 25 28.062 12.436 -22.948 190 HB3 GLU 25 3HB GLU 25 28.153 11.582 -24.482 191 HG2 GLU 25 2HG GLU 25 25.870 13.200 -24.630 192 HG3 GLU 25 3HG GLU 25 27.136 14.196 -23.915 193 H ALA 26 H ALA 26 24.129 12.215 -23.351 194 HA ALA 26 HA ALA 26 24.280 13.344 -20.688 195 HB1 ALA 26 1HB ALA 26 21.729 13.824 -21.570 196 HB2 ALA 26 2HB ALA 26 23.115 14.889 -21.805 197 HB3 ALA 26 3HB ALA 26 22.651 13.754 -23.072 198 H GLU 27 H GLU 27 22.285 10.952 -22.397 199 HA GLU 27 HA GLU 27 20.494 10.299 -20.411 200 HB2 GLU 27 2HB GLU 27 21.768 8.669 -22.586 201 HB3 GLU 27 3HB GLU 27 20.648 7.925 -21.454 202 HG2 GLU 27 2HG GLU 27 18.960 9.631 -22.099 203 HG3 GLU 27 3HG GLU 27 20.080 10.204 -23.333 204 H CYS 28 H CYS 28 23.676 8.802 -20.979 205 HA CYS 28 HA CYS 28 23.650 7.020 -18.847 206 HB2 CYS 28 2HB CYS 28 26.081 8.473 -19.906 207 HB3 CYS 28 3HB CYS 28 26.058 6.925 -19.070 208 HG CYS 28 HG CYS 28 25.851 7.522 -22.272 209 H ALA 29 H ALA 29 24.768 10.384 -18.952 210 HA ALA 29 HA ALA 29 25.745 10.530 -16.328 211 HB1 ALA 29 1HB ALA 29 24.880 13.072 -16.821 212 HB2 ALA 29 2HB ALA 29 26.428 12.406 -17.342 213 HB3 ALA 29 3HB ALA 29 25.057 12.421 -18.451 214 H ALA 30 H ALA 30 22.530 11.257 -17.647 215 HA ALA 30 HA ALA 30 21.351 12.204 -15.296 216 HB1 ALA 30 1HB ALA 30 19.217 11.723 -16.354 217 HB2 ALA 30 2HB ALA 30 20.337 12.435 -17.517 218 HB3 ALA 30 3HB ALA 30 20.021 10.700 -17.547 219 H PHE 31 H PHE 31 21.741 8.918 -16.523 220 HA PHE 31 HA PHE 31 20.122 7.646 -14.586 221 HB2 PHE 31 2HB PHE 31 22.474 6.469 -16.078 222 HB3 PHE 31 3HB PHE 31 21.152 5.581 -15.327 223 HD1 PHE 31 HD1 PHE 31 18.904 7.393 -16.237 224 HD2 PHE 31 HD2 PHE 31 22.233 5.722 -18.297 225 HE1 PHE 31 HE1 PHE 31 17.642 7.488 -18.347 226 HE2 PHE 31 HE2 PHE 31 20.976 5.815 -20.410 227 HZ PHE 31 HZ PHE 31 18.678 6.700 -20.438 228 H GLU 32 H GLU 32 23.631 8.176 -14.773 229 HA GLU 32 HA GLU 32 24.356 6.861 -12.427 230 HB2 GLU 32 2HB GLU 32 25.771 8.037 -14.333 231 HB3 GLU 32 3HB GLU 32 25.776 9.372 -13.190 232 HG2 GLU 32 2HG GLU 32 26.973 8.175 -11.601 233 HG3 GLU 32 3HG GLU 32 26.575 6.622 -12.332 234 H LYS 33 H LYS 33 23.434 10.251 -12.927 235 HA LYS 33 HA LYS 33 23.756 11.016 -10.212 236 HB2 LYS 33 2HB LYS 33 23.056 12.273 -12.669 237 HB3 LYS 33 3HB LYS 33 21.806 12.660 -11.493 238 HG2 LYS 33 2HG LYS 33 23.122 14.214 -10.634 239 HG3 LYS 33 3HG LYS 33 24.289 12.967 -10.189 240 HD2 LYS 33 2HD LYS 33 24.225 14.006 -12.991 241 HD3 LYS 33 3HD LYS 33 25.012 14.952 -11.725 242 HE2 LYS 33 2HE LYS 33 26.716 13.475 -11.497 243 HE3 LYS 33 3HE LYS 33 25.695 12.079 -11.836 244 HZ1 LYS 33 3HZ LYS 33 27.450 13.387 -13.568 245 HZ2 LYS 33 1HZ LYS 33 25.884 13.642 -14.157 246 HZ3 LYS 33 2HZ LYS 33 26.446 12.067 -13.903 247 H GLU 34 H GLU 34 20.794 10.491 -12.136 248 HA GLU 34 HA GLU 34 18.939 10.721 -10.111 249 HB2 GLU 34 2HB GLU 34 18.917 8.942 -12.551 250 HB3 GLU 34 3HB GLU 34 17.523 9.156 -11.500 251 HG2 GLU 34 2HG GLU 34 18.772 11.628 -12.501 252 HG3 GLU 34 3HG GLU 34 17.976 10.616 -13.705 253 H ILE 35 H ILE 35 20.639 7.784 -11.167 254 HA ILE 35 HA ILE 35 19.433 6.039 -9.315 255 HB ILE 35 HB ILE 35 22.072 5.878 -10.763 256 HG12 ILE 35 2HG1 ILE 35 19.979 5.752 -12.108 257 HG13 ILE 35 3HG1 ILE 35 20.932 4.274 -12.173 258 HG21 ILE 35 1HG2 ILE 35 20.762 3.865 -8.948 259 HG22 ILE 35 2HG2 ILE 35 22.028 3.458 -10.105 260 HG23 ILE 35 3HG2 ILE 35 22.365 4.582 -8.789 261 HD11 ILE 35 3HD1 ILE 35 18.486 4.726 -10.481 262 HD12 ILE 35 1HD1 ILE 35 18.566 3.788 -11.972 263 HD13 ILE 35 2HD1 ILE 35 19.440 3.244 -10.539 264 H ALA 36 H ALA 36 22.403 7.958 -9.168 265 HA ALA 36 HA ALA 36 23.462 6.981 -6.793 266 HB1 ALA 36 1HB ALA 36 23.743 9.442 -8.374 267 HB2 ALA 36 2HB ALA 36 24.176 9.588 -6.670 268 HB3 ALA 36 3HB ALA 36 24.975 8.386 -7.683 269 H ALA 37 H ALA 37 21.196 9.683 -7.268 270 HA ALA 37 HA ALA 37 20.922 10.302 -4.523 271 HB1 ALA 37 1HB ALA 37 20.140 12.072 -5.665 272 HB2 ALA 37 2HB ALA 37 19.612 11.089 -7.031 273 HB3 ALA 37 3HB ALA 37 18.604 11.209 -5.589 274 H PHE 38 H PHE 38 19.163 8.151 -6.690 275 HA PHE 38 HA PHE 38 16.971 7.566 -5.073 276 HB2 PHE 38 2HB PHE 38 18.260 6.394 -7.412 277 HB3 PHE 38 3HB PHE 38 17.525 5.179 -6.370 278 HD1 PHE 38 HD1 PHE 38 16.434 8.654 -7.122 279 HD2 PHE 38 HD2 PHE 38 15.610 4.492 -7.470 280 HE1 PHE 38 HE1 PHE 38 14.228 9.174 -8.079 281 HE2 PHE 38 HE2 PHE 38 13.403 5.006 -8.428 282 HZ PHE 38 HZ PHE 38 12.710 7.350 -8.735 283 H GLU 39 H GLU 39 20.018 5.736 -5.376 284 HA GLU 39 HA GLU 39 19.456 3.914 -3.308 285 HB2 GLU 39 2HB GLU 39 21.878 3.425 -3.352 286 HB3 GLU 39 3HB GLU 39 21.165 3.444 -4.959 287 HG2 GLU 39 2HG GLU 39 22.029 5.719 -5.295 288 HG3 GLU 39 3HG GLU 39 22.788 5.646 -3.706 289 H SER 40 H SER 40 21.101 7.036 -3.322 290 HA SER 40 HA SER 40 22.018 6.944 -0.650 291 HB2 SER 40 2HB SER 40 23.049 8.536 -2.074 292 HB3 SER 40 3HB SER 40 21.498 9.218 -2.564 293 HG SER 40 HG SER 40 22.766 10.421 -0.940 294 H GLU 41 H GLU 41 18.960 7.772 -2.089 295 HA GLU 41 HA GLU 41 17.932 8.997 0.324 296 HB2 GLU 41 2HB GLU 41 16.922 8.531 -2.435 297 HB3 GLU 41 3HB GLU 41 15.730 8.706 -1.155 298 HG2 GLU 41 2HG GLU 41 16.361 10.892 -0.692 299 HG3 GLU 41 3HG GLU 41 17.924 10.711 -1.487 300 H LEU 42 H LEU 42 17.883 5.891 -1.250 301 HA LEU 42 HA LEU 42 15.756 4.834 0.381 302 HB2 LEU 42 2HB LEU 42 17.719 3.457 -1.445 303 HB3 LEU 42 3HB LEU 42 16.332 2.686 -0.679 304 HG LEU 42 HG LEU 42 15.848 5.049 -2.424 305 HD11 LEU 42 1HD1 LEU 42 16.568 2.297 -3.409 306 HD12 LEU 42 2HD1 LEU 42 17.341 3.828 -3.818 307 HD13 LEU 42 3HD1 LEU 42 15.703 3.492 -4.376 308 HD21 LEU 42 3HD2 LEU 42 13.803 4.386 -1.805 309 HD22 LEU 42 1HD2 LEU 42 14.374 2.802 -1.278 310 HD23 LEU 42 2HD2 LEU 42 14.020 3.090 -2.982 311 H GLN 43 H GLN 43 19.209 5.057 0.536 312 HA GLN 43 HA GLN 43 19.552 2.977 2.483 313 HB2 GLN 43 2HB GLN 43 21.835 3.584 2.520 314 HB3 GLN 43 3HB GLN 43 21.317 3.810 0.855 315 HG2 GLN 43 2HG GLN 43 22.247 5.819 0.992 316 HG3 GLN 43 3HG GLN 43 20.858 6.272 1.977 317 HE21 GLN 43 1HE2 GLN 43 21.532 7.446 3.617 318 HE22 GLN 43 2HE2 GLN 43 22.903 7.113 4.613 319 H ALA 44 H ALA 44 18.695 6.308 2.550 320 HA ALA 44 HA ALA 44 19.478 6.779 5.277 321 HB1 ALA 44 1HB ALA 44 19.113 8.473 3.303 322 HB2 ALA 44 2HB ALA 44 17.454 8.478 3.904 323 HB3 ALA 44 3HB ALA 44 18.781 8.939 4.971 324 H TYR 45 H TYR 45 16.767 5.396 3.686 325 HA TYR 45 HA TYR 45 14.690 5.943 5.453 326 HB2 TYR 45 2HB TYR 45 15.288 3.719 3.554 327 HB3 TYR 45 3HB TYR 45 13.964 3.509 4.694 328 HD1 TYR 45 HD1 TYR 45 15.045 6.622 2.968 329 HD2 TYR 45 HD2 TYR 45 12.060 3.612 3.338 330 HE1 TYR 45 HE1 TYR 45 13.569 7.912 1.483 331 HE2 TYR 45 HE2 TYR 45 10.576 4.893 1.853 332 HH TYR 45 HH TYR 45 10.275 6.816 0.764 333 H LYS 46 H LYS 46 16.597 2.927 5.384 334 HA LYS 46 HA LYS 46 17.244 1.497 7.030 335 HB2 LYS 46 2HB LYS 46 16.769 3.756 8.973 336 HB3 LYS 46 3HB LYS 46 17.850 2.383 9.167 337 HG2 LYS 46 2HG LYS 46 19.199 3.250 7.270 338 HG3 LYS 46 3HG LYS 46 18.164 4.680 7.247 339 HD2 LYS 46 2HD LYS 46 19.126 4.131 9.915 340 HD3 LYS 46 3HD LYS 46 20.465 4.287 8.776 341 HE2 LYS 46 2HE LYS 46 19.334 6.413 7.971 342 HE3 LYS 46 3HE LYS 46 18.300 6.282 9.394 343 HZ1 LYS 46 3HZ LYS 46 19.967 7.592 10.195 344 HZ2 LYS 46 1HZ LYS 46 21.162 6.890 9.225 345 HZ3 LYS 46 2HZ LYS 46 20.597 6.074 10.595 346 H GLY 47 H GLY 47 14.618 1.306 6.238 347 HA2 GLY 47 2HA GLY 47 12.846 1.296 8.503 348 HA3 GLY 47 3HA GLY 47 12.500 0.657 6.903 349 H LYS 48 H LYS 48 14.725 -0.090 9.590 350 HA LYS 48 HA LYS 48 15.277 -2.053 10.598 351 HB2 LYS 48 2HB LYS 48 12.516 -2.864 9.670 352 HB3 LYS 48 3HB LYS 48 13.485 -3.741 10.846 353 HG2 LYS 48 2HG LYS 48 13.496 -1.534 12.167 354 HG3 LYS 48 3HG LYS 48 12.152 -1.076 11.119 355 HD2 LYS 48 2HD LYS 48 10.881 -3.002 11.844 356 HD3 LYS 48 3HD LYS 48 12.246 -3.578 12.804 357 HE2 LYS 48 2HE LYS 48 12.034 -1.829 14.353 358 HE3 LYS 48 3HE LYS 48 11.016 -0.880 13.272 359 HZ1 LYS 48 3HZ LYS 48 9.196 -2.269 13.657 360 HZ2 LYS 48 1HZ LYS 48 9.885 -2.062 15.188 361 HZ3 LYS 48 2HZ LYS 48 10.143 -3.498 14.332 362 H GLY 49 H GLY 49 15.815 -1.626 7.702 363 HA2 GLY 49 2HA GLY 49 16.781 -2.790 5.977 364 HA3 GLY 49 3HA GLY 49 17.028 -4.089 7.134 365 H ASN 50 H ASN 50 14.099 -2.647 5.708 366 HA ASN 50 HA ASN 50 12.801 -5.155 5.458 367 HB2 ASN 50 2HB ASN 50 12.216 -2.349 4.744 368 HB3 ASN 50 3HB ASN 50 11.416 -3.560 3.747 369 HD21 ASN 50 1HD2 ASN 50 10.357 -1.658 5.729 370 HD22 ASN 50 2HD2 ASN 50 9.484 -2.619 6.870 371 HA PRO 51 HA PRO 51 14.152 -6.691 1.577 372 HB2 PRO 51 2HB PRO 51 11.858 -7.670 0.505 373 HB3 PRO 51 3HB PRO 51 12.686 -8.437 1.865 374 HG2 PRO 51 2HG PRO 51 10.312 -6.614 1.877 375 HG3 PRO 51 3HG PRO 51 10.587 -8.098 2.807 376 HD2 PRO 51 2HD PRO 51 10.924 -5.631 3.869 377 HD3 PRO 51 3HD PRO 51 11.901 -7.027 4.369 378 H GLU 52 H GLU 52 11.679 -4.269 1.656 379 HA GLU 52 HA GLU 52 11.361 -3.857 -1.119 380 HB2 GLU 52 2HB GLU 52 10.488 -1.619 -0.450 381 HB3 GLU 52 3HB GLU 52 9.737 -2.958 0.407 382 HG2 GLU 52 2HG GLU 52 11.712 -2.376 2.124 383 HG3 GLU 52 3HG GLU 52 11.452 -0.785 1.412 384 H VAL 53 H VAL 53 13.469 -2.306 1.281 385 HA VAL 53 HA VAL 53 14.695 -0.525 -0.559 386 HB VAL 53 HB VAL 53 15.862 -1.514 2.044 387 HG11 VAL 53 1HG1 VAL 53 17.560 -0.311 1.099 388 HG12 VAL 53 2HG1 VAL 53 16.465 0.717 0.172 389 HG13 VAL 53 3HG1 VAL 53 16.682 0.991 1.901 390 HG21 VAL 53 3HG2 VAL 53 13.641 0.370 1.478 391 HG22 VAL 53 1HG2 VAL 53 13.897 -0.702 2.855 392 HG23 VAL 53 2HG2 VAL 53 14.786 0.817 2.743 393 H GLU 54 H GLU 54 15.132 -3.855 0.138 394 HA GLU 54 HA GLU 54 17.854 -4.119 -0.606 395 HB2 GLU 54 2HB GLU 54 15.616 -6.151 -0.660 396 HB3 GLU 54 3HB GLU 54 17.323 -6.527 -0.846 397 HG2 GLU 54 2HG GLU 54 16.226 -5.151 1.584 398 HG3 GLU 54 3HG GLU 54 16.322 -6.905 1.439 399 H ALA 55 H ALA 55 14.826 -4.643 -2.397 400 HA ALA 55 HA ALA 55 16.065 -5.330 -4.845 401 HB1 ALA 55 1HB ALA 55 13.944 -5.972 -5.104 402 HB2 ALA 55 2HB ALA 55 13.362 -4.833 -3.888 403 HB3 ALA 55 3HB ALA 55 13.614 -4.297 -5.549 404 H LEU 56 H LEU 56 14.934 -2.266 -3.500 405 HA LEU 56 HA LEU 56 15.274 -0.708 -5.822 406 HB2 LEU 56 2HB LEU 56 15.513 0.188 -2.954 407 HB3 LEU 56 3HB LEU 56 15.182 1.209 -4.352 408 HG LEU 56 HG LEU 56 13.282 -0.995 -3.694 409 HD11 LEU 56 1HD1 LEU 56 12.578 -0.131 -1.775 410 HD12 LEU 56 2HD1 LEU 56 12.495 1.488 -2.468 411 HD13 LEU 56 3HD1 LEU 56 14.009 0.900 -1.779 412 HD21 LEU 56 3HD2 LEU 56 11.908 1.287 -4.368 413 HD22 LEU 56 1HD2 LEU 56 12.346 -0.018 -5.470 414 HD23 LEU 56 2HD2 LEU 56 13.376 1.408 -5.340 415 H ARG 57 H ARG 57 17.401 -1.134 -2.993 416 HA ARG 57 HA ARG 57 19.527 0.415 -4.002 417 HB2 ARG 57 2HB ARG 57 20.816 -0.428 -2.200 418 HB3 ARG 57 3HB ARG 57 19.166 -0.318 -1.604 419 HG2 ARG 57 2HG ARG 57 18.862 -2.698 -1.895 420 HG3 ARG 57 3HG ARG 57 20.473 -2.839 -2.601 421 HD2 ARG 57 2HD ARG 57 20.401 -1.537 0.025 422 HD3 ARG 57 3HD ARG 57 19.878 -3.221 0.031 423 HE ARG 57 HE ARG 57 22.540 -2.249 -0.337 424 HH11 ARG 57 1HH1 ARG 57 20.345 -4.830 -1.137 425 HH12 ARG 57 2HH1 ARG 57 21.602 -5.996 -1.390 426 HH21 ARG 57 1HH2 ARG 57 24.204 -3.774 -0.667 427 HH22 ARG 57 2HH2 ARG 57 23.796 -5.394 -1.121 428 H LYS 58 H LYS 58 18.674 -2.967 -4.365 429 HA LYS 58 HA LYS 58 21.117 -3.874 -5.446 430 HB2 LYS 58 2HB LYS 58 19.428 -5.418 -4.604 431 HB3 LYS 58 3HB LYS 58 18.304 -4.907 -5.857 432 HG2 LYS 58 2HG LYS 58 19.255 -6.204 -7.420 433 HG3 LYS 58 3HG LYS 58 20.891 -5.887 -6.839 434 HD2 LYS 58 2HD LYS 58 19.342 -7.442 -4.941 435 HD3 LYS 58 3HD LYS 58 19.444 -8.232 -6.517 436 HE2 LYS 58 2HE LYS 58 21.928 -7.073 -5.366 437 HE3 LYS 58 3HE LYS 58 21.303 -8.560 -4.655 438 HZ1 LYS 58 3HZ LYS 58 22.886 -9.028 -6.412 439 HZ2 LYS 58 1HZ LYS 58 21.957 -8.154 -7.524 440 HZ3 LYS 58 2HZ LYS 58 21.348 -9.580 -6.848 441 H GLU 59 H GLU 59 18.079 -2.963 -7.082 442 HA GLU 59 HA GLU 59 19.023 -3.204 -9.699 443 HB2 GLU 59 2HB GLU 59 16.769 -1.751 -8.399 444 HB3 GLU 59 3HB GLU 59 17.177 -1.323 -10.055 445 HG2 GLU 59 2HG GLU 59 15.387 -3.044 -9.813 446 HG3 GLU 59 3HG GLU 59 16.748 -3.520 -10.826 447 H ALA 60 H ALA 60 18.822 -0.310 -7.635 448 HA ALA 60 HA ALA 60 19.850 1.558 -9.395 449 HB1 ALA 60 1HB ALA 60 19.689 1.324 -6.454 450 HB2 ALA 60 2HB ALA 60 20.833 2.506 -7.092 451 HB3 ALA 60 3HB ALA 60 19.127 2.607 -7.526 452 H ALA 61 H ALA 61 21.659 -0.394 -7.023 453 HA ALA 61 HA ALA 61 24.212 0.519 -7.618 454 HB1 ALA 61 1HB ALA 61 25.043 -1.425 -6.527 455 HB2 ALA 61 2HB ALA 61 23.551 -0.965 -5.707 456 HB3 ALA 61 3HB ALA 61 23.553 -2.314 -6.842 457 H ALA 62 H ALA 62 22.391 -2.149 -9.086 458 HA ALA 62 HA ALA 62 24.389 -3.109 -10.784 459 HB1 ALA 62 1HB ALA 62 22.808 -4.552 -11.383 460 HB2 ALA 62 2HB ALA 62 21.714 -3.691 -10.299 461 HB3 ALA 62 3HB ALA 62 21.778 -3.264 -12.009 462 H ILE 63 H ILE 63 21.901 -0.639 -11.366 463 HA ILE 63 HA ILE 63 22.527 -0.105 -14.040 464 HB ILE 63 HB ILE 63 21.424 1.794 -11.966 465 HG12 ILE 63 2HG1 ILE 63 19.904 0.243 -14.060 466 HG13 ILE 63 3HG1 ILE 63 20.171 -0.380 -12.436 467 HG21 ILE 63 1HG2 ILE 63 20.398 2.675 -14.272 468 HG22 ILE 63 2HG2 ILE 63 21.912 3.280 -13.602 469 HG23 ILE 63 3HG2 ILE 63 21.936 2.050 -14.865 470 HD11 ILE 63 3HD1 ILE 63 18.730 2.167 -13.133 471 HD12 ILE 63 1HD1 ILE 63 17.983 0.648 -12.642 472 HD13 ILE 63 2HD1 ILE 63 18.994 1.542 -11.506 473 H ARG 64 H ARG 64 23.755 1.357 -11.051 474 HA ARG 64 HA ARG 64 25.342 3.343 -12.213 475 HB2 ARG 64 2HB ARG 64 24.759 3.103 -9.771 476 HB3 ARG 64 3HB ARG 64 25.984 1.845 -9.672 477 HG2 ARG 64 2HG ARG 64 27.621 3.576 -10.547 478 HG3 ARG 64 3HG ARG 64 26.361 4.769 -10.224 479 HD2 ARG 64 2HD ARG 64 26.455 3.287 -7.899 480 HD3 ARG 64 3HD ARG 64 28.147 3.391 -8.386 481 HE ARG 64 HE ARG 64 26.943 5.934 -8.564 482 HH11 ARG 64 1HH1 ARG 64 28.050 3.612 -6.218 483 HH12 ARG 64 2HH1 ARG 64 28.393 4.803 -5.008 484 HH21 ARG 64 1HH2 ARG 64 27.391 7.512 -6.978 485 HH22 ARG 64 2HH2 ARG 64 28.017 7.021 -5.441 486 H ASP 65 H ASP 65 26.159 0.012 -11.293 487 HA ASP 65 HA ASP 65 28.867 0.084 -11.986 488 HB2 ASP 65 2HB ASP 65 26.890 -2.199 -11.952 489 HB3 ASP 65 3HB ASP 65 28.614 -2.420 -12.237 490 H GLU 66 H GLU 66 26.021 -0.768 -13.922 491 HA GLU 66 HA GLU 66 27.361 -1.553 -16.248 492 HB2 GLU 66 2HB GLU 66 24.664 -0.201 -16.048 493 HB3 GLU 66 3HB GLU 66 25.251 -1.150 -17.407 494 HG2 GLU 66 2HG GLU 66 24.850 -3.120 -16.387 495 HG3 GLU 66 3HG GLU 66 25.249 -2.498 -14.786 496 H CYS 67 H CYS 67 26.079 1.630 -15.319 497 HA CYS 67 HA CYS 67 26.787 3.011 -17.638 498 HB2 CYS 67 2HB CYS 67 26.518 3.961 -14.783 499 HB3 CYS 67 3HB CYS 67 26.761 5.048 -16.145 500 HG CYS 67 HG CYS 67 24.061 5.099 -15.376 501 H GLN 68 H GLN 68 28.636 2.362 -14.698 502 HA GLN 68 HA GLN 68 30.893 3.924 -15.486 503 HB2 GLN 68 2HB GLN 68 30.583 1.766 -13.394 504 HB3 GLN 68 3HB GLN 68 32.037 2.731 -13.607 505 HG2 GLN 68 2HG GLN 68 31.111 4.589 -12.699 506 HG3 GLN 68 3HG GLN 68 29.487 4.190 -13.259 507 HE21 GLN 68 1HE2 GLN 68 30.351 5.065 -10.634 508 HE22 GLN 68 2HE2 GLN 68 29.878 3.827 -9.526 509 H ALA 69 H ALA 69 29.792 0.738 -16.173 510 HA ALA 69 HA ALA 69 32.409 -0.201 -17.024 511 HB1 ALA 69 1HB ALA 69 30.612 -2.094 -17.859 512 HB2 ALA 69 2HB ALA 69 31.454 -2.091 -16.309 513 HB3 ALA 69 3HB ALA 69 29.827 -1.421 -16.430 514 H TYR 70 H TYR 70 30.065 1.725 -18.323 515 HA TYR 70 HA TYR 70 30.444 0.753 -21.063 516 HB2 TYR 70 2HB TYR 70 28.522 2.803 -19.945 517 HB3 TYR 70 3HB TYR 70 28.621 2.340 -21.640 518 HD1 TYR 70 HD2 TYR 70 29.125 -0.661 -21.016 519 HD2 TYR 70 HD1 TYR 70 26.225 2.147 -19.669 520 HE1 TYR 70 HE2 TYR 70 27.542 -2.499 -20.608 521 HE2 TYR 70 HE1 TYR 70 24.635 0.316 -19.257 522 HH TYR 70 HH TYR 70 25.583 -3.061 -19.635 523 H ARG 71 H ARG 71 30.910 3.585 -19.015 524 HA ARG 71 HA ARG 71 32.494 4.817 -21.173 525 HB2 ARG 71 2HB ARG 71 30.576 6.180 -20.546 526 HB3 ARG 71 3HB ARG 71 31.057 6.122 -18.856 527 HG2 ARG 71 2HG ARG 71 32.621 7.719 -19.106 528 HG3 ARG 71 3HG ARG 71 33.081 7.166 -20.718 529 HD2 ARG 71 2HD ARG 71 30.407 8.179 -20.785 530 HD3 ARG 71 3HD ARG 71 31.464 9.370 -20.028 531 HE ARG 71 HE ARG 71 31.408 8.635 -22.782 532 HH11 ARG 71 1HH1 ARG 71 33.490 9.727 -20.215 533 HH12 ARG 71 2HH1 ARG 71 34.628 10.482 -21.282 534 HH21 ARG 71 1HH2 ARG 71 32.899 9.624 -24.197 535 HH22 ARG 71 2HH2 ARG 71 34.290 10.423 -23.547 536 H HIS 72 H HIS 72 32.402 3.958 -17.771 537 HA HIS 72 HA HIS 72 35.131 4.926 -17.381 538 HB2 HIS 72 2HB HIS 72 32.912 4.822 -15.713 539 HB3 HIS 72 3HB HIS 72 33.941 3.520 -15.124 540 HD1 HIS 72 HD1 HIS 72 33.644 7.203 -15.246 541 HD2 HIS 72 HD2 HIS 72 36.473 4.373 -14.129 542 HE1 HIS 72 HE1 HIS 72 35.364 8.462 -13.911 543 H ASN 73 H ASN 73 34.691 2.710 -19.155 544 HA ASN 73 HA ASN 73 36.666 0.930 -18.172 545 HB2 ASN 73 2HB ASN 73 34.578 0.182 -16.918 546 HB3 ASN 73 3HB ASN 73 33.941 -0.331 -18.478 547 HD21 ASN 73 1HD2 ASN 73 34.054 -2.451 -18.583 548 HD22 ASN 73 2HD2 ASN 73 35.414 -3.420 -18.138 Start of MODEL 8 1 H1 MET 1 H MET 1 1.699 -0.656 -3.482 2 HA MET 1 HA MET 1 1.092 1.359 -2.417 3 HB2 MET 1 2HB MET 1 1.274 0.872 0.069 4 HB3 MET 1 3HB MET 1 0.463 -0.347 -0.905 5 HG2 MET 1 2HG MET 1 2.540 -1.664 -0.942 6 HG3 MET 1 3HG MET 1 3.299 -0.458 0.094 7 HE1 MET 1 3HE MET 1 1.123 -3.728 0.060 8 HE2 MET 1 1HE MET 1 2.861 -3.645 0.348 9 HE3 MET 1 2HE MET 1 1.774 -4.131 1.649 10 H GLY 2 H GLY 2 1.702 3.133 -0.966 11 HA2 GLY 2 2HA GLY 2 3.185 4.669 -0.078 12 HA3 GLY 2 3HA GLY 2 4.461 3.472 -0.241 13 H SER 3 H SER 3 6.061 4.301 -1.402 14 HA SER 3 HA SER 3 5.370 5.806 -3.841 15 HB2 SER 3 2HB SER 3 6.587 6.940 -1.740 16 HB3 SER 3 3HB SER 3 8.007 6.272 -2.544 17 HG SER 3 HG SER 3 7.333 8.460 -3.183 18 H TRP 4 H TRP 4 5.849 2.929 -3.487 19 HA TRP 4 HA TRP 4 8.455 2.380 -4.573 20 HB2 TRP 4 2HB TRP 4 7.625 0.657 -3.209 21 HB3 TRP 4 3HB TRP 4 6.033 0.705 -3.962 22 HD1 TRP 4 HD1 TRP 4 5.813 -0.453 -6.416 23 HE1 TRP 4 HE1 TRP 4 7.166 -2.362 -7.489 24 HE3 TRP 4 HE3 TRP 4 9.900 -0.379 -3.345 25 HZ2 TRP 4 HZ2 TRP 4 9.637 -3.665 -7.087 26 HZ3 TRP 4 HZ3 TRP 4 11.714 -1.989 -3.757 27 HH2 TRP 4 HH2 TRP 4 11.583 -3.598 -5.589 28 H ALA 5 H ALA 5 5.166 2.623 -5.805 29 HA ALA 5 HA ALA 5 5.519 1.559 -8.348 30 HB1 ALA 5 1HB ALA 5 3.407 2.530 -7.090 31 HB2 ALA 5 2HB ALA 5 3.790 3.957 -8.053 32 HB3 ALA 5 3HB ALA 5 3.466 2.417 -8.849 33 H GLU 6 H GLU 6 5.899 4.939 -7.289 34 HA GLU 6 HA GLU 6 6.648 5.994 -9.770 35 HB2 GLU 6 2HB GLU 6 6.847 6.848 -6.945 36 HB3 GLU 6 3HB GLU 6 7.972 7.616 -8.057 37 HG2 GLU 6 2HG GLU 6 6.388 8.936 -8.857 38 HG3 GLU 6 3HG GLU 6 5.328 7.565 -9.180 39 H PHE 7 H PHE 7 8.704 4.942 -7.057 40 HA PHE 7 HA PHE 7 11.165 5.379 -8.313 41 HB2 PHE 7 2HB PHE 7 10.208 3.874 -5.962 42 HB3 PHE 7 3HB PHE 7 11.721 3.295 -6.653 43 HD1 PHE 7 HD1 PHE 7 10.035 6.276 -5.257 44 HD2 PHE 7 HD2 PHE 7 13.734 4.444 -6.293 45 HE1 PHE 7 HE1 PHE 7 11.247 8.070 -4.088 46 HE2 PHE 7 HE2 PHE 7 14.952 6.234 -5.125 47 HZ PHE 7 HZ PHE 7 13.709 8.050 -4.020 48 H LYS 8 H LYS 8 8.928 2.696 -8.483 49 HA LYS 8 HA LYS 8 10.686 0.840 -9.712 50 HB2 LYS 8 2HB LYS 8 8.585 0.188 -8.585 51 HB3 LYS 8 3HB LYS 8 7.669 0.988 -9.855 52 HG2 LYS 8 2HG LYS 8 7.741 -1.422 -10.186 53 HG3 LYS 8 3HG LYS 8 8.553 -0.568 -11.501 54 HD2 LYS 8 2HD LYS 8 10.447 -1.664 -11.102 55 HD3 LYS 8 3HD LYS 8 10.431 -1.154 -9.412 56 HE2 LYS 8 2HE LYS 8 10.446 -3.544 -9.465 57 HE3 LYS 8 3HE LYS 8 8.847 -3.020 -8.939 58 HZ1 LYS 8 3HZ LYS 8 9.510 -3.784 -11.729 59 HZ2 LYS 8 1HZ LYS 8 7.974 -3.451 -11.103 60 HZ3 LYS 8 2HZ LYS 8 8.811 -4.832 -10.600 61 H GLN 9 H GLN 9 8.328 3.155 -10.995 62 HA GLN 9 HA GLN 9 8.609 2.440 -13.706 63 HB2 GLN 9 2HB GLN 9 6.950 4.094 -12.347 64 HB3 GLN 9 3HB GLN 9 8.018 5.272 -13.100 65 HG2 GLN 9 2HG GLN 9 7.521 4.338 -15.292 66 HG3 GLN 9 3HG GLN 9 6.469 3.135 -14.547 67 HE21 GLN 9 1HE2 GLN 9 4.829 4.003 -15.954 68 HE22 GLN 9 2HE2 GLN 9 3.969 5.427 -15.489 69 H ARG 10 H ARG 10 10.011 5.189 -11.915 70 HA ARG 10 HA ARG 10 11.622 6.158 -13.972 71 HB2 ARG 10 2HB ARG 10 11.789 6.322 -10.979 72 HB3 ARG 10 3HB ARG 10 13.061 7.010 -11.981 73 HG2 ARG 10 2HG ARG 10 11.658 8.808 -11.589 74 HG3 ARG 10 3HG ARG 10 11.151 8.245 -13.183 75 HD2 ARG 10 2HD ARG 10 9.314 6.993 -12.139 76 HD3 ARG 10 3HD ARG 10 9.816 7.591 -10.558 77 HE ARG 10 HE ARG 10 8.839 9.612 -11.043 78 HH11 ARG 10 1HH1 ARG 10 9.071 7.705 -13.946 79 HH12 ARG 10 2HH1 ARG 10 8.089 8.779 -14.886 80 HH21 ARG 10 1HH2 ARG 10 7.544 11.034 -12.269 81 HH22 ARG 10 2HH2 ARG 10 7.222 10.673 -13.931 82 H LEU 11 H LEU 11 12.344 3.768 -11.454 83 HA LEU 11 HA LEU 11 15.049 3.377 -12.122 84 HB2 LEU 11 2HB LEU 11 14.246 2.620 -10.014 85 HB3 LEU 11 3HB LEU 11 13.026 1.602 -10.776 86 HG LEU 11 HG LEU 11 15.850 0.983 -11.410 87 HD11 LEU 11 1HD1 LEU 11 15.263 -0.429 -9.046 88 HD12 LEU 11 2HD1 LEU 11 14.986 1.279 -8.704 89 HD13 LEU 11 3HD1 LEU 11 16.549 0.747 -9.322 90 HD21 LEU 11 3HD2 LEU 11 14.666 -1.329 -10.749 91 HD22 LEU 11 1HD2 LEU 11 14.536 -0.600 -12.350 92 HD23 LEU 11 2HD2 LEU 11 13.240 -0.382 -11.175 93 H ALA 12 H ALA 12 12.083 1.865 -13.285 94 HA ALA 12 HA ALA 12 13.278 -0.199 -14.784 95 HB1 ALA 12 1HB ALA 12 11.019 -0.516 -14.429 96 HB2 ALA 12 2HB ALA 12 10.612 1.149 -14.845 97 HB3 ALA 12 3HB ALA 12 11.053 0.006 -16.114 98 H ALA 13 H ALA 13 12.259 3.080 -15.692 99 HA ALA 13 HA ALA 13 12.953 2.874 -18.421 100 HB1 ALA 13 1HB ALA 13 12.106 4.933 -18.558 101 HB2 ALA 13 2HB ALA 13 11.699 4.752 -16.851 102 HB3 ALA 13 3HB ALA 13 13.197 5.557 -17.320 103 H ILE 14 H ILE 14 14.741 3.986 -15.579 104 HA ILE 14 HA ILE 14 17.015 4.927 -16.965 105 HB ILE 14 HB ILE 14 16.792 3.903 -14.132 106 HG12 ILE 14 2HG1 ILE 14 17.012 6.788 -14.883 107 HG13 ILE 14 3HG1 ILE 14 15.453 5.989 -15.049 108 HG21 ILE 14 1HG2 ILE 14 18.849 5.816 -14.404 109 HG22 ILE 14 2HG2 ILE 14 18.995 4.109 -13.987 110 HG23 ILE 14 3HG2 ILE 14 19.082 4.614 -15.674 111 HD11 ILE 14 3HD1 ILE 14 16.984 6.686 -12.612 112 HD12 ILE 14 1HD1 ILE 14 15.254 6.791 -12.937 113 HD13 ILE 14 2HD1 ILE 14 15.991 5.229 -12.578 114 H LYS 15 H LYS 15 16.164 1.778 -15.619 115 HA LYS 15 HA LYS 15 18.691 0.564 -16.045 116 HB2 LYS 15 2HB LYS 15 16.277 -0.164 -14.847 117 HB3 LYS 15 3HB LYS 15 16.466 -1.295 -16.181 118 HG2 LYS 15 2HG LYS 15 18.973 -1.211 -15.003 119 HG3 LYS 15 3HG LYS 15 17.847 -1.175 -13.645 120 HD2 LYS 15 2HD LYS 15 17.463 -3.134 -15.876 121 HD3 LYS 15 3HD LYS 15 18.632 -3.462 -14.594 122 HE2 LYS 15 2HE LYS 15 16.777 -4.448 -13.696 123 HE3 LYS 15 3HE LYS 15 16.595 -2.819 -13.047 124 HZ1 LYS 15 3HZ LYS 15 15.283 -3.794 -15.526 125 HZ2 LYS 15 1HZ LYS 15 15.039 -2.298 -14.774 126 HZ3 LYS 15 2HZ LYS 15 14.534 -3.720 -14.011 127 H THR 16 H THR 16 15.717 0.710 -17.957 128 HA THR 16 HA THR 16 16.508 -1.038 -20.008 129 HB THR 16 HB THR 16 14.694 1.343 -20.392 130 HG1 THR 16 HG1 THR 16 13.635 0.412 -18.781 131 HG21 THR 16 3HG2 THR 16 15.318 -1.115 -21.886 132 HG22 THR 16 1HG2 THR 16 14.699 0.434 -22.459 133 HG23 THR 16 2HG2 THR 16 13.600 -0.744 -21.739 134 H ARG 17 H ARG 17 16.608 2.526 -19.888 135 HA ARG 17 HA ARG 17 17.926 2.836 -22.365 136 HB2 ARG 17 2HB ARG 17 17.224 4.554 -20.075 137 HB3 ARG 17 3HB ARG 17 18.630 5.080 -20.991 138 HG2 ARG 17 2HG ARG 17 17.176 6.099 -22.330 139 HG3 ARG 17 3HG ARG 17 16.817 4.491 -22.961 140 HD2 ARG 17 2HD ARG 17 14.836 4.349 -21.853 141 HD3 ARG 17 3HD ARG 17 15.403 5.320 -20.495 142 HE ARG 17 HE ARG 17 15.254 7.089 -22.557 143 HH11 ARG 17 1HH1 ARG 17 13.021 4.855 -21.094 144 HH12 ARG 17 2HH1 ARG 17 11.624 5.815 -21.452 145 HH21 ARG 17 1HH2 ARG 17 13.422 8.362 -23.034 146 HH22 ARG 17 2HH2 ARG 17 11.853 7.809 -22.556 147 H CYS 18 H CYS 18 19.074 2.285 -19.110 148 HA CYS 18 HA CYS 18 21.794 2.963 -19.604 149 HB2 CYS 18 2HB CYS 18 21.110 3.001 -17.339 150 HB3 CYS 18 3HB CYS 18 20.408 1.391 -17.440 151 HG CYS 18 HG CYS 18 22.666 -0.008 -17.210 152 H GLN 19 H GLN 19 19.902 0.021 -19.868 153 HA GLN 19 HA GLN 19 22.153 -1.700 -20.271 154 HB2 GLN 19 2HB GLN 19 19.209 -2.093 -20.821 155 HB3 GLN 19 3HB GLN 19 20.423 -3.354 -20.991 156 HG2 GLN 19 2HG GLN 19 20.431 -2.002 -18.394 157 HG3 GLN 19 3HG GLN 19 18.953 -2.892 -18.758 158 HE21 GLN 19 1HE2 GLN 19 18.998 -4.824 -17.883 159 HE22 GLN 19 2HE2 GLN 19 20.366 -5.873 -17.787 160 H ALA 20 H ALA 20 19.784 -0.138 -22.392 161 HA ALA 20 HA ALA 20 20.912 -1.245 -24.786 162 HB1 ALA 20 1HB ALA 20 19.139 -0.346 -25.860 163 HB2 ALA 20 2HB ALA 20 18.492 -0.238 -24.222 164 HB3 ALA 20 3HB ALA 20 19.232 1.176 -24.972 165 H LEU 21 H LEU 21 21.400 1.621 -22.879 166 HA LEU 21 HA LEU 21 22.776 3.424 -23.095 167 HB2 LEU 21 2HB LEU 21 24.358 1.369 -24.627 168 HB3 LEU 21 3HB LEU 21 24.987 2.942 -24.140 169 HG LEU 21 HG LEU 21 24.018 0.839 -22.207 170 HD11 LEU 21 1HD1 LEU 21 26.362 0.817 -23.760 171 HD12 LEU 21 2HD1 LEU 21 25.959 -0.213 -22.386 172 HD13 LEU 21 3HD1 LEU 21 26.841 1.293 -22.131 173 HD21 LEU 21 3HD2 LEU 21 25.907 3.003 -21.478 174 HD22 LEU 21 1HD2 LEU 21 24.639 2.232 -20.525 175 HD23 LEU 21 2HD2 LEU 21 24.219 3.451 -21.729 176 H GLY 22 H GLY 22 20.695 3.016 -25.153 177 HA2 GLY 22 2HA GLY 22 21.945 4.212 -27.522 178 HA3 GLY 22 3HA GLY 22 20.322 3.543 -27.440 179 H GLY 23 H GLY 23 20.911 5.420 -24.733 180 HA2 GLY 23 2HA GLY 23 19.041 7.413 -25.567 181 HA3 GLY 23 3HA GLY 23 19.918 7.382 -24.045 182 H SER 24 H SER 24 22.368 7.843 -24.358 183 HA SER 24 HA SER 24 23.296 9.395 -26.486 184 HB2 SER 24 2HB SER 24 21.556 10.820 -24.666 185 HB3 SER 24 3HB SER 24 23.177 11.514 -24.650 186 HG SER 24 HG SER 24 21.291 11.442 -26.679 187 H GLU 25 H GLU 25 25.452 9.773 -26.283 188 HA GLU 25 HA GLU 25 26.966 8.420 -24.430 189 HB2 GLU 25 2HB GLU 25 28.861 9.837 -25.145 190 HB3 GLU 25 3HB GLU 25 27.918 9.237 -26.502 191 HG2 GLU 25 2HG GLU 25 26.725 11.439 -26.526 192 HG3 GLU 25 3HG GLU 25 27.898 12.008 -25.340 193 H ALA 26 H ALA 26 25.693 11.687 -24.248 194 HA ALA 26 HA ALA 26 27.104 12.258 -21.780 195 HB1 ALA 26 1HB ALA 26 25.957 13.810 -23.816 196 HB2 ALA 26 2HB ALA 26 25.023 14.145 -22.358 197 HB3 ALA 26 3HB ALA 26 26.771 14.375 -22.357 198 H GLU 27 H GLU 27 23.860 11.395 -22.829 199 HA GLU 27 HA GLU 27 22.389 11.927 -20.559 200 HB2 GLU 27 2HB GLU 27 22.174 10.014 -22.798 201 HB3 GLU 27 3HB GLU 27 21.268 9.586 -21.353 202 HG2 GLU 27 2HG GLU 27 20.374 11.998 -21.467 203 HG3 GLU 27 3HG GLU 27 20.963 11.972 -23.128 204 H CYS 28 H CYS 28 24.631 9.305 -21.167 205 HA CYS 28 HA CYS 28 23.984 7.528 -19.161 206 HB2 CYS 28 2HB CYS 28 26.797 8.289 -19.967 207 HB3 CYS 28 3HB CYS 28 26.281 6.767 -19.250 208 HG CYS 28 HG CYS 28 26.093 5.605 -21.522 209 H ALA 29 H ALA 29 26.003 10.434 -18.940 210 HA ALA 29 HA ALA 29 26.863 10.184 -16.314 211 HB1 ALA 29 1HB ALA 29 27.866 12.088 -16.846 212 HB2 ALA 29 2HB ALA 29 26.887 12.192 -18.310 213 HB3 ALA 29 3HB ALA 29 26.316 12.929 -16.814 214 H ALA 30 H ALA 30 24.004 11.966 -17.490 215 HA ALA 30 HA ALA 30 22.990 12.737 -15.023 216 HB1 ALA 30 1HB ALA 30 22.195 12.984 -17.650 217 HB2 ALA 30 2HB ALA 30 20.898 12.040 -16.917 218 HB3 ALA 30 3HB ALA 30 21.338 13.609 -16.241 219 H PHE 31 H PHE 31 22.684 9.684 -16.734 220 HA PHE 31 HA PHE 31 20.639 8.558 -15.159 221 HB2 PHE 31 2HB PHE 31 22.606 7.594 -17.127 222 HB3 PHE 31 3HB PHE 31 22.090 6.386 -15.954 223 HD1 PHE 31 HD2 PHE 31 19.990 9.140 -17.220 224 HD2 PHE 31 HD1 PHE 31 20.872 4.981 -17.410 225 HE1 PHE 31 HE2 PHE 31 17.933 8.767 -18.517 226 HE2 PHE 31 HE1 PHE 31 18.817 4.601 -18.708 227 HZ PHE 31 HZ PHE 31 17.343 6.495 -19.262 228 H GLU 32 H GLU 32 24.178 8.236 -14.953 229 HA GLU 32 HA GLU 32 24.285 6.549 -12.743 230 HB2 GLU 32 2HB GLU 32 26.236 7.071 -14.131 231 HB3 GLU 32 3HB GLU 32 26.229 8.724 -13.535 232 HG2 GLU 32 2HG GLU 32 26.587 7.805 -11.237 233 HG3 GLU 32 3HG GLU 32 26.812 6.221 -11.977 234 H LYS 33 H LYS 33 24.225 10.092 -12.877 235 HA LYS 33 HA LYS 33 24.499 10.574 -10.131 236 HB2 LYS 33 2HB LYS 33 23.746 12.093 -12.502 237 HB3 LYS 33 3HB LYS 33 22.879 12.625 -11.067 238 HG2 LYS 33 2HG LYS 33 24.785 13.962 -11.126 239 HG3 LYS 33 3HG LYS 33 25.165 12.717 -9.934 240 HD2 LYS 33 2HD LYS 33 27.064 12.480 -11.112 241 HD3 LYS 33 3HD LYS 33 26.056 11.556 -12.228 242 HE2 LYS 33 2HE LYS 33 26.117 13.160 -13.809 243 HE3 LYS 33 3HE LYS 33 26.016 14.467 -12.630 244 HZ1 LYS 33 3HZ LYS 33 28.420 13.843 -12.092 245 HZ2 LYS 33 1HZ LYS 33 28.127 14.682 -13.531 246 HZ3 LYS 33 2HZ LYS 33 28.408 13.015 -13.567 247 H GLU 34 H GLU 34 21.548 10.355 -12.115 248 HA GLU 34 HA GLU 34 19.668 10.774 -10.131 249 HB2 GLU 34 2HB GLU 34 19.655 9.919 -12.815 250 HB3 GLU 34 3HB GLU 34 18.754 8.707 -11.916 251 HG2 GLU 34 2HG GLU 34 18.197 11.643 -11.659 252 HG3 GLU 34 3HG GLU 34 17.433 10.633 -12.885 253 H ILE 35 H ILE 35 21.125 7.698 -11.154 254 HA ILE 35 HA ILE 35 19.722 6.025 -9.409 255 HB ILE 35 HB ILE 35 22.513 5.707 -10.517 256 HG12 ILE 35 2HG1 ILE 35 20.661 5.881 -12.179 257 HG13 ILE 35 3HG1 ILE 35 21.477 4.322 -12.205 258 HG21 ILE 35 1HG2 ILE 35 20.889 4.010 -8.736 259 HG22 ILE 35 2HG2 ILE 35 21.675 3.190 -10.084 260 HG23 ILE 35 3HG2 ILE 35 22.639 4.108 -8.928 261 HD11 ILE 35 3HD1 ILE 35 19.243 4.265 -10.399 262 HD12 ILE 35 1HD1 ILE 35 18.745 4.799 -12.004 263 HD13 ILE 35 2HD1 ILE 35 19.580 3.258 -11.807 264 H ALA 36 H ALA 36 22.814 7.713 -8.981 265 HA ALA 36 HA ALA 36 23.537 6.685 -6.504 266 HB1 ALA 36 1HB ALA 36 24.884 8.192 -8.039 267 HB2 ALA 36 2HB ALA 36 24.018 9.541 -7.303 268 HB3 ALA 36 3HB ALA 36 25.029 8.494 -6.307 269 H ALA 37 H ALA 37 21.556 9.545 -7.239 270 HA ALA 37 HA ALA 37 21.089 10.282 -4.553 271 HB1 ALA 37 1HB ALA 37 20.772 11.752 -6.550 272 HB2 ALA 37 2HB ALA 37 19.292 10.858 -6.901 273 HB3 ALA 37 3HB ALA 37 19.434 11.775 -5.402 274 H PHE 38 H PHE 38 19.406 8.128 -6.770 275 HA PHE 38 HA PHE 38 17.046 7.758 -5.320 276 HB2 PHE 38 2HB PHE 38 18.435 6.415 -7.509 277 HB3 PHE 38 3HB PHE 38 17.526 5.298 -6.496 278 HD1 PHE 38 HD2 PHE 38 16.689 8.817 -7.305 279 HD2 PHE 38 HD1 PHE 38 15.743 4.707 -7.877 280 HE1 PHE 38 HE2 PHE 38 14.616 9.459 -8.464 281 HE2 PHE 38 HE1 PHE 38 13.668 5.342 -9.038 282 HZ PHE 38 HZ PHE 38 13.102 7.721 -9.331 283 H GLU 39 H GLU 39 19.991 5.746 -5.320 284 HA GLU 39 HA GLU 39 19.157 4.022 -3.260 285 HB2 GLU 39 2HB GLU 39 21.564 3.433 -3.070 286 HB3 GLU 39 3HB GLU 39 20.964 3.384 -4.722 287 HG2 GLU 39 2HG GLU 39 21.952 5.590 -5.134 288 HG3 GLU 39 3HG GLU 39 22.584 5.600 -3.488 289 H SER 40 H SER 40 20.979 7.046 -3.212 290 HA SER 40 HA SER 40 21.670 6.994 -0.479 291 HB2 SER 40 2HB SER 40 22.789 8.485 -2.061 292 HB3 SER 40 3HB SER 40 21.282 9.361 -2.328 293 HG SER 40 HG SER 40 22.836 10.275 -0.758 294 H GLU 41 H GLU 41 18.783 7.981 -2.177 295 HA GLU 41 HA GLU 41 17.625 9.307 0.106 296 HB2 GLU 41 2HB GLU 41 16.731 8.672 -2.674 297 HB3 GLU 41 3HB GLU 41 15.517 9.068 -1.465 298 HG2 GLU 41 2HG GLU 41 17.296 11.073 -1.082 299 HG3 GLU 41 3HG GLU 41 17.473 10.785 -2.812 300 H LEU 42 H LEU 42 17.510 6.136 -1.362 301 HA LEU 42 HA LEU 42 15.246 5.209 0.114 302 HB2 LEU 42 2HB LEU 42 17.406 3.791 -1.427 303 HB3 LEU 42 3HB LEU 42 16.083 2.944 -0.626 304 HG LEU 42 HG LEU 42 15.465 5.084 -2.617 305 HD11 LEU 42 1HD1 LEU 42 16.976 3.843 -3.907 306 HD12 LEU 42 2HD1 LEU 42 15.391 3.194 -4.323 307 HD13 LEU 42 3HD1 LEU 42 16.442 2.310 -3.218 308 HD21 LEU 42 3HD2 LEU 42 14.027 2.495 -2.333 309 HD22 LEU 42 1HD2 LEU 42 13.405 4.100 -2.719 310 HD23 LEU 42 2HD2 LEU 42 13.847 3.702 -1.059 311 H GLN 43 H GLN 43 18.706 5.249 0.627 312 HA GLN 43 HA GLN 43 18.773 3.385 2.761 313 HB2 GLN 43 2HB GLN 43 21.011 4.038 3.079 314 HB3 GLN 43 3HB GLN 43 20.730 4.232 1.354 315 HG2 GLN 43 2HG GLN 43 21.529 6.285 1.551 316 HG3 GLN 43 3HG GLN 43 20.063 6.694 2.440 317 HE21 GLN 43 1HE2 GLN 43 23.313 5.372 2.866 318 HE22 GLN 43 2HE2 GLN 43 23.564 6.027 4.445 319 H ALA 44 H ALA 44 17.757 6.647 2.541 320 HA ALA 44 HA ALA 44 18.186 7.354 5.284 321 HB1 ALA 44 1HB ALA 44 16.159 8.716 3.567 322 HB2 ALA 44 2HB ALA 44 17.254 9.398 4.770 323 HB3 ALA 44 3HB ALA 44 17.876 8.887 3.200 324 H TYR 45 H TYR 45 15.768 5.620 3.553 325 HA TYR 45 HA TYR 45 13.519 6.053 5.151 326 HB2 TYR 45 2HB TYR 45 14.413 3.758 3.431 327 HB3 TYR 45 3HB TYR 45 12.934 3.641 4.379 328 HD1 TYR 45 HD2 TYR 45 11.746 6.270 4.150 329 HD2 TYR 45 HD1 TYR 45 13.810 3.991 1.209 330 HE1 TYR 45 HE2 TYR 45 10.513 7.450 2.379 331 HE2 TYR 45 HE1 TYR 45 12.584 5.166 -0.570 332 HH TYR 45 HH TYR 45 9.969 7.392 0.162 333 H LYS 46 H LYS 46 16.319 4.015 5.626 334 HA LYS 46 HA LYS 46 17.071 2.838 7.421 335 HB2 LYS 46 2HB LYS 46 15.982 5.068 8.495 336 HB3 LYS 46 3HB LYS 46 14.987 3.842 9.268 337 HG2 LYS 46 2HG LYS 46 16.608 3.317 10.684 338 HG3 LYS 46 3HG LYS 46 17.772 3.114 9.372 339 HD2 LYS 46 2HD LYS 46 18.753 4.857 10.473 340 HD3 LYS 46 3HD LYS 46 17.693 5.764 9.391 341 HE2 LYS 46 2HE LYS 46 16.534 4.932 11.979 342 HE3 LYS 46 3HE LYS 46 17.798 6.159 12.047 343 HZ1 LYS 46 3HZ LYS 46 16.549 7.616 10.742 344 HZ2 LYS 46 1HZ LYS 46 15.416 6.954 11.810 345 HZ3 LYS 46 2HZ LYS 46 15.493 6.405 10.212 346 H GLY 47 H GLY 47 14.704 1.965 5.746 347 HA2 GLY 47 2HA GLY 47 13.535 0.038 7.653 348 HA3 GLY 47 3HA GLY 47 12.752 0.574 6.174 349 H LYS 48 H LYS 48 16.142 -0.304 6.404 350 HA LYS 48 HA LYS 48 16.087 -1.994 4.182 351 HB2 LYS 48 2HB LYS 48 18.044 -0.939 5.790 352 HB3 LYS 48 3HB LYS 48 18.138 -2.651 6.179 353 HG2 LYS 48 2HG LYS 48 17.968 -2.568 3.406 354 HG3 LYS 48 3HG LYS 48 19.049 -1.241 3.836 355 HD2 LYS 48 2HD LYS 48 20.631 -2.837 3.877 356 HD3 LYS 48 3HD LYS 48 19.958 -3.224 5.463 357 HE2 LYS 48 2HE LYS 48 18.322 -4.715 4.060 358 HE3 LYS 48 3HE LYS 48 19.599 -4.620 2.849 359 HZ1 LYS 48 3HZ LYS 48 20.727 -6.155 3.948 360 HZ2 LYS 48 1HZ LYS 48 19.474 -6.287 5.076 361 HZ3 LYS 48 2HZ LYS 48 20.745 -5.205 5.347 362 H GLY 49 H GLY 49 15.185 -2.574 7.452 363 HA2 GLY 49 2HA GLY 49 15.618 -5.280 7.788 364 HA3 GLY 49 3HA GLY 49 14.242 -4.414 8.454 365 H ASN 50 H ASN 50 13.292 -3.702 5.727 366 HA ASN 50 HA ASN 50 12.055 -6.296 5.113 367 HB2 ASN 50 2HB ASN 50 11.122 -3.460 4.892 368 HB3 ASN 50 3HB ASN 50 10.429 -4.676 3.823 369 HD21 ASN 50 1HD2 ASN 50 10.498 -3.373 6.973 370 HD22 ASN 50 2HD2 ASN 50 9.335 -4.433 7.686 371 HA PRO 51 HA PRO 51 13.849 -6.523 1.116 372 HB2 PRO 51 2HB PRO 51 11.808 -7.520 -0.371 373 HB3 PRO 51 3HB PRO 51 12.691 -8.485 0.818 374 HG2 PRO 51 2HG PRO 51 10.043 -7.115 1.081 375 HG3 PRO 51 3HG PRO 51 10.524 -8.733 1.623 376 HD2 PRO 51 2HD PRO 51 10.385 -6.614 3.304 377 HD3 PRO 51 3HD PRO 51 11.561 -7.927 3.517 378 H GLU 52 H GLU 52 11.085 -4.546 1.644 379 HA GLU 52 HA GLU 52 10.516 -3.512 -0.848 380 HB2 GLU 52 2HB GLU 52 9.888 -1.408 0.375 381 HB3 GLU 52 3HB GLU 52 9.165 -2.878 1.012 382 HG2 GLU 52 2HG GLU 52 11.056 -2.909 2.697 383 HG3 GLU 52 3HG GLU 52 11.418 -1.268 2.164 384 H VAL 53 H VAL 53 13.005 -2.414 1.440 385 HA VAL 53 HA VAL 53 14.054 -0.511 -0.475 386 HB VAL 53 HB VAL 53 15.031 -1.300 2.272 387 HG11 VAL 53 1HG1 VAL 53 16.465 0.702 2.113 388 HG12 VAL 53 2HG1 VAL 53 16.897 -0.537 0.933 389 HG13 VAL 53 3HG1 VAL 53 15.987 0.886 0.426 390 HG21 VAL 53 3HG2 VAL 53 13.808 0.400 3.130 391 HG22 VAL 53 1HG2 VAL 53 13.999 1.406 1.694 392 HG23 VAL 53 2HG2 VAL 53 12.811 0.102 1.707 393 H GLU 54 H GLU 54 14.694 -3.749 0.573 394 HA GLU 54 HA GLU 54 17.394 -3.944 -0.237 395 HB2 GLU 54 2HB GLU 54 17.231 -6.052 0.520 396 HB3 GLU 54 3HB GLU 54 15.617 -5.597 1.046 397 HG2 GLU 54 2HG GLU 54 14.720 -6.415 -1.098 398 HG3 GLU 54 3HG GLU 54 16.341 -6.942 -1.547 399 H ALA 55 H ALA 55 14.345 -4.357 -1.933 400 HA ALA 55 HA ALA 55 15.443 -5.481 -4.301 401 HB1 ALA 55 1HB ALA 55 12.841 -4.024 -3.852 402 HB2 ALA 55 2HB ALA 55 13.265 -4.916 -5.313 403 HB3 ALA 55 3HB ALA 55 13.101 -5.767 -3.777 404 H LEU 56 H LEU 56 14.236 -2.194 -3.602 405 HA LEU 56 HA LEU 56 15.041 -1.043 -6.022 406 HB2 LEU 56 2HB LEU 56 13.884 -0.185 -3.578 407 HB3 LEU 56 3HB LEU 56 15.233 0.890 -3.942 408 HG LEU 56 HG LEU 56 14.247 1.520 -6.034 409 HD11 LEU 56 1HD1 LEU 56 13.007 0.058 -7.148 410 HD12 LEU 56 2HD1 LEU 56 11.693 0.382 -6.018 411 HD13 LEU 56 3HD1 LEU 56 12.810 -0.947 -5.713 412 HD21 LEU 56 3HD2 LEU 56 13.313 2.971 -4.573 413 HD22 LEU 56 1HD2 LEU 56 12.660 1.692 -3.548 414 HD23 LEU 56 2HD2 LEU 56 11.833 2.132 -5.043 415 H ARG 57 H ARG 57 16.766 -1.534 -2.997 416 HA ARG 57 HA ARG 57 19.010 0.076 -3.610 417 HB2 ARG 57 2HB ARG 57 18.403 -0.731 -1.326 418 HB3 ARG 57 3HB ARG 57 18.910 -2.345 -1.804 419 HG2 ARG 57 2HG ARG 57 20.763 -1.548 -0.691 420 HG3 ARG 57 3HG ARG 57 21.161 -1.205 -2.376 421 HD2 ARG 57 2HD ARG 57 21.342 0.961 -1.923 422 HD3 ARG 57 3HD ARG 57 19.693 0.992 -1.301 423 HE ARG 57 HE ARG 57 21.060 -0.021 0.774 424 HH11 ARG 57 1HH1 ARG 57 21.613 2.756 -1.251 425 HH12 ARG 57 2HH1 ARG 57 22.401 3.669 -0.008 426 HH21 ARG 57 1HH2 ARG 57 22.097 1.171 2.419 427 HH22 ARG 57 2HH2 ARG 57 22.677 2.766 2.079 428 H LYS 58 H LYS 58 18.351 -3.381 -4.032 429 HA LYS 58 HA LYS 58 20.880 -4.110 -5.013 430 HB2 LYS 58 2HB LYS 58 18.952 -5.619 -4.244 431 HB3 LYS 58 3HB LYS 58 18.301 -5.412 -5.865 432 HG2 LYS 58 2HG LYS 58 19.486 -7.425 -5.934 433 HG3 LYS 58 3HG LYS 58 20.548 -6.246 -6.708 434 HD2 LYS 58 2HD LYS 58 21.143 -6.176 -3.957 435 HD3 LYS 58 3HD LYS 58 21.029 -7.881 -4.402 436 HE2 LYS 58 2HE LYS 58 22.688 -5.827 -5.859 437 HE3 LYS 58 3HE LYS 58 23.312 -6.942 -4.645 438 HZ1 LYS 58 3HZ LYS 58 21.993 -8.551 -6.401 439 HZ2 LYS 58 1HZ LYS 58 23.667 -8.317 -6.338 440 HZ3 LYS 58 2HZ LYS 58 22.726 -7.405 -7.407 441 H GLU 59 H GLU 59 17.875 -3.415 -6.808 442 HA GLU 59 HA GLU 59 18.931 -3.605 -9.373 443 HB2 GLU 59 2HB GLU 59 16.690 -1.856 -8.349 444 HB3 GLU 59 3HB GLU 59 17.033 -2.130 -10.051 445 HG2 GLU 59 2HG GLU 59 16.543 -4.439 -8.221 446 HG3 GLU 59 3HG GLU 59 15.195 -3.515 -8.881 447 H ALA 60 H ALA 60 18.520 -0.690 -7.367 448 HA ALA 60 HA ALA 60 19.566 1.194 -9.088 449 HB1 ALA 60 1HB ALA 60 20.325 2.351 -6.910 450 HB2 ALA 60 2HB ALA 60 18.605 2.047 -7.154 451 HB3 ALA 60 3HB ALA 60 19.546 0.991 -6.101 452 H ALA 61 H ALA 61 21.351 -0.684 -6.639 453 HA ALA 61 HA ALA 61 23.891 0.311 -7.135 454 HB1 ALA 61 1HB ALA 61 23.995 -0.995 -5.303 455 HB2 ALA 61 2HB ALA 61 22.791 -2.132 -5.913 456 HB3 ALA 61 3HB ALA 61 24.463 -2.237 -6.464 457 H ALA 62 H ALA 62 22.224 -2.413 -8.683 458 HA ALA 62 HA ALA 62 24.319 -3.291 -10.308 459 HB1 ALA 62 1HB ALA 62 21.334 -3.437 -10.611 460 HB2 ALA 62 2HB ALA 62 22.433 -4.144 -11.796 461 HB3 ALA 62 3HB ALA 62 22.457 -4.707 -10.125 462 H ILE 63 H ILE 63 21.780 -0.893 -10.959 463 HA ILE 63 HA ILE 63 22.476 -0.327 -13.610 464 HB ILE 63 HB ILE 63 21.256 1.536 -11.569 465 HG12 ILE 63 2HG1 ILE 63 19.573 0.324 -13.656 466 HG13 ILE 63 3HG1 ILE 63 20.223 -0.824 -12.492 467 HG21 ILE 63 1HG2 ILE 63 21.413 1.691 -14.572 468 HG22 ILE 63 2HG2 ILE 63 20.338 2.684 -13.589 469 HG23 ILE 63 3HG2 ILE 63 22.086 2.824 -13.401 470 HD11 ILE 63 3HD1 ILE 63 19.246 1.409 -11.054 471 HD12 ILE 63 1HD1 ILE 63 18.013 0.922 -12.217 472 HD13 ILE 63 2HD1 ILE 63 18.646 -0.250 -11.060 473 H ARG 64 H ARG 64 23.554 1.163 -10.576 474 HA ARG 64 HA ARG 64 25.125 3.195 -11.681 475 HB2 ARG 64 2HB ARG 64 24.514 3.103 -9.305 476 HB3 ARG 64 3HB ARG 64 25.539 1.689 -9.092 477 HG2 ARG 64 2HG ARG 64 27.305 3.453 -10.148 478 HG3 ARG 64 3HG ARG 64 26.244 4.529 -9.236 479 HD2 ARG 64 2HD ARG 64 26.572 3.128 -7.241 480 HD3 ARG 64 3HD ARG 64 27.667 2.096 -8.161 481 HE ARG 64 HE ARG 64 29.309 3.677 -7.919 482 HH11 ARG 64 1HH1 ARG 64 26.233 5.074 -7.078 483 HH12 ARG 64 2HH1 ARG 64 26.921 6.539 -6.458 484 HH21 ARG 64 1HH2 ARG 64 30.227 5.600 -7.106 485 HH22 ARG 64 2HH2 ARG 64 29.193 6.837 -6.475 486 H ASP 65 H ASP 65 26.005 -0.110 -10.723 487 HA ASP 65 HA ASP 65 28.732 0.038 -11.312 488 HB2 ASP 65 2HB ASP 65 26.810 -2.289 -11.334 489 HB3 ASP 65 3HB ASP 65 28.541 -2.479 -11.598 490 H GLU 66 H GLU 66 25.989 -0.884 -13.360 491 HA GLU 66 HA GLU 66 27.451 -1.618 -15.634 492 HB2 GLU 66 2HB GLU 66 24.699 -0.371 -15.549 493 HB3 GLU 66 3HB GLU 66 25.376 -1.310 -16.872 494 HG2 GLU 66 2HG GLU 66 24.971 -3.277 -15.865 495 HG3 GLU 66 3HG GLU 66 25.340 -2.655 -14.258 496 H CYS 67 H CYS 67 26.040 1.510 -14.718 497 HA CYS 67 HA CYS 67 26.737 2.940 -17.007 498 HB2 CYS 67 2HB CYS 67 26.423 3.848 -14.143 499 HB3 CYS 67 3HB CYS 67 26.642 4.956 -15.491 500 HG CYS 67 HG CYS 67 24.276 4.204 -16.784 501 H GLN 68 H GLN 68 28.564 2.378 -14.026 502 HA GLN 68 HA GLN 68 30.778 3.998 -14.743 503 HB2 GLN 68 2HB GLN 68 30.834 1.641 -12.861 504 HB3 GLN 68 3HB GLN 68 31.894 3.044 -12.856 505 HG2 GLN 68 2HG GLN 68 29.250 3.998 -12.614 506 HG3 GLN 68 3HG GLN 68 29.431 2.653 -11.489 507 HE21 GLN 68 1HE2 GLN 68 29.143 5.537 -11.009 508 HE22 GLN 68 2HE2 GLN 68 30.512 5.991 -10.058 509 H ALA 69 H ALA 69 29.904 0.680 -15.379 510 HA ALA 69 HA ALA 69 32.514 -0.089 -16.313 511 HB1 ALA 69 1HB ALA 69 31.292 -2.136 -17.117 512 HB2 ALA 69 2HB ALA 69 31.179 -1.817 -15.386 513 HB3 ALA 69 3HB ALA 69 29.823 -1.429 -16.445 514 H TYR 70 H TYR 70 30.064 1.780 -17.594 515 HA TYR 70 HA TYR 70 30.624 1.018 -20.365 516 HB2 TYR 70 2HB TYR 70 28.562 2.912 -19.219 517 HB3 TYR 70 3HB TYR 70 28.742 2.529 -20.928 518 HD1 TYR 70 HD1 TYR 70 29.361 -0.466 -20.439 519 HD2 TYR 70 HD2 TYR 70 26.300 2.133 -19.033 520 HE1 TYR 70 HE1 TYR 70 27.857 -2.394 -20.167 521 HE2 TYR 70 HE2 TYR 70 24.788 0.213 -18.756 522 HH TYR 70 HH TYR 70 25.866 -3.009 -18.887 523 H ARG 71 H ARG 71 30.888 3.726 -18.128 524 HA ARG 71 HA ARG 71 32.782 4.987 -19.981 525 HB2 ARG 71 2HB ARG 71 31.849 7.208 -19.444 526 HB3 ARG 71 3HB ARG 71 30.690 6.181 -20.278 527 HG2 ARG 71 2HG ARG 71 29.230 6.532 -18.658 528 HG3 ARG 71 3HG ARG 71 30.330 5.771 -17.507 529 HD2 ARG 71 2HD ARG 71 30.078 7.839 -16.549 530 HD3 ARG 71 3HD ARG 71 31.501 8.115 -17.553 531 HE ARG 71 HE ARG 71 29.002 8.736 -18.844 532 HH11 ARG 71 1HH1 ARG 71 31.583 9.928 -16.835 533 HH12 ARG 71 2HH1 ARG 71 31.306 11.590 -17.239 534 HH21 ARG 71 1HH2 ARG 71 28.627 10.920 -19.384 535 HH22 ARG 71 2HH2 ARG 71 29.624 12.153 -18.689 536 H HIS 72 H HIS 72 33.554 3.420 -17.881 537 HA HIS 72 HA HIS 72 35.298 5.078 -16.461 538 HB2 HIS 72 2HB HIS 72 32.777 5.261 -15.377 539 HB3 HIS 72 3HB HIS 72 33.523 4.013 -14.384 540 HD1 HIS 72 HD1 HIS 72 35.940 4.770 -13.328 541 HD2 HIS 72 HD2 HIS 72 33.383 7.786 -14.602 542 HE1 HIS 72 HE1 HIS 72 36.754 6.863 -12.197 543 H ASN 73 H ASN 73 35.258 2.587 -17.894 544 HA ASN 73 HA ASN 73 36.566 0.919 -15.881 545 HB2 ASN 73 2HB ASN 73 34.489 -0.173 -15.903 546 HB3 ASN 73 3HB ASN 73 34.273 0.075 -17.633 547 HD21 ASN 73 1HD2 ASN 73 34.425 -1.721 -18.742 548 HD22 ASN 73 2HD2 ASN 73 35.462 -3.057 -18.391 Start of MODEL 9 1 H1 MET 1 H MET 1 0.609 -0.879 -4.476 2 HA MET 1 HA MET 1 3.381 -1.091 -3.767 3 HB2 MET 1 2HB MET 1 1.841 0.062 -6.050 4 HB3 MET 1 3HB MET 1 3.505 0.579 -5.814 5 HG2 MET 1 2HG MET 1 4.090 -1.193 -7.007 6 HG3 MET 1 3HG MET 1 3.654 -2.161 -5.601 7 HE1 MET 1 3HE MET 1 2.299 -4.624 -7.114 8 HE2 MET 1 1HE MET 1 2.460 -3.819 -5.553 9 HE3 MET 1 2HE MET 1 0.860 -4.084 -6.247 10 H GLY 2 H GLY 2 1.447 1.806 -4.555 11 HA2 GLY 2 2HA GLY 2 1.360 3.867 -3.525 12 HA3 GLY 2 3HA GLY 2 2.202 3.162 -2.153 13 H SER 3 H SER 3 3.990 4.255 -1.726 14 HA SER 3 HA SER 3 5.272 6.016 -3.474 15 HB2 SER 3 2HB SER 3 7.216 5.182 -1.623 16 HB3 SER 3 3HB SER 3 6.156 6.586 -1.495 17 HG SER 3 HG SER 3 5.047 5.590 -0.016 18 H TRP 4 H TRP 4 5.827 2.611 -2.815 19 HA TRP 4 HA TRP 4 8.311 2.313 -4.064 20 HB2 TRP 4 2HB TRP 4 7.570 0.492 -2.767 21 HB3 TRP 4 3HB TRP 4 6.017 0.421 -3.595 22 HD1 TRP 4 HD1 TRP 4 5.997 -0.714 -6.057 23 HE1 TRP 4 HE1 TRP 4 7.571 -2.451 -7.121 24 HE3 TRP 4 HE3 TRP 4 9.960 -0.286 -2.856 25 HZ2 TRP 4 HZ2 TRP 4 10.151 -3.500 -6.664 26 HZ3 TRP 4 HZ3 TRP 4 11.943 -1.693 -3.239 27 HH2 TRP 4 HH2 TRP 4 12.034 -3.266 -5.104 28 H ALA 5 H ALA 5 5.039 2.259 -5.385 29 HA ALA 5 HA ALA 5 5.509 1.317 -7.933 30 HB1 ALA 5 1HB ALA 5 3.354 1.788 -8.162 31 HB2 ALA 5 2HB ALA 5 3.400 2.604 -6.598 32 HB3 ALA 5 3HB ALA 5 3.682 3.519 -8.079 33 H GLU 6 H GLU 6 5.675 4.707 -6.841 34 HA GLU 6 HA GLU 6 6.437 5.843 -9.266 35 HB2 GLU 6 2HB GLU 6 6.647 6.621 -6.410 36 HB3 GLU 6 3HB GLU 6 7.684 7.481 -7.539 37 HG2 GLU 6 2HG GLU 6 5.603 7.932 -8.901 38 HG3 GLU 6 3HG GLU 6 4.687 7.340 -7.517 39 H PHE 7 H PHE 7 8.510 4.758 -6.580 40 HA PHE 7 HA PHE 7 10.968 5.328 -7.767 41 HB2 PHE 7 2HB PHE 7 10.070 3.437 -5.630 42 HB3 PHE 7 3HB PHE 7 11.714 3.305 -6.246 43 HD1 PHE 7 HD1 PHE 7 13.310 5.129 -5.928 44 HD2 PHE 7 HD2 PHE 7 9.392 5.284 -4.273 45 HE1 PHE 7 HE1 PHE 7 14.017 6.952 -4.434 46 HE2 PHE 7 HE2 PHE 7 10.092 7.107 -2.777 47 HZ PHE 7 HZ PHE 7 12.407 7.944 -2.857 48 H LYS 8 H LYS 8 8.925 2.460 -7.993 49 HA LYS 8 HA LYS 8 10.745 0.835 -9.406 50 HB2 LYS 8 2HB LYS 8 8.732 -0.035 -8.279 51 HB3 LYS 8 3HB LYS 8 7.721 0.788 -9.459 52 HG2 LYS 8 2HG LYS 8 7.807 -1.011 -10.740 53 HG3 LYS 8 3HG LYS 8 9.547 -0.774 -10.921 54 HD2 LYS 8 2HD LYS 8 9.391 -1.924 -8.450 55 HD3 LYS 8 3HD LYS 8 8.064 -2.717 -9.302 56 HE2 LYS 8 2HE LYS 8 10.217 -2.672 -11.097 57 HE3 LYS 8 3HE LYS 8 10.900 -3.135 -9.539 58 HZ1 LYS 8 3HZ LYS 8 8.861 -4.728 -9.498 59 HZ2 LYS 8 1HZ LYS 8 10.249 -5.150 -10.369 60 HZ3 LYS 8 2HZ LYS 8 8.900 -4.526 -11.177 61 H GLN 9 H GLN 9 8.244 3.093 -10.488 62 HA GLN 9 HA GLN 9 8.413 2.548 -13.234 63 HB2 GLN 9 2HB GLN 9 6.996 4.324 -11.585 64 HB3 GLN 9 3HB GLN 9 7.862 5.338 -12.732 65 HG2 GLN 9 2HG GLN 9 6.323 4.911 -14.253 66 HG3 GLN 9 3HG GLN 9 6.748 3.201 -14.194 67 HE21 GLN 9 1HE2 GLN 9 5.888 2.404 -11.784 68 HE22 GLN 9 2HE2 GLN 9 4.177 2.597 -11.646 69 H ARG 10 H ARG 10 9.874 5.251 -11.416 70 HA ARG 10 HA ARG 10 11.391 6.313 -13.476 71 HB2 ARG 10 2HB ARG 10 11.727 6.289 -10.494 72 HB3 ARG 10 3HB ARG 10 12.954 7.023 -11.517 73 HG2 ARG 10 2HG ARG 10 11.591 8.804 -10.929 74 HG3 ARG 10 3HG ARG 10 11.017 8.361 -12.538 75 HD2 ARG 10 2HD ARG 10 9.196 7.074 -11.533 76 HD3 ARG 10 3HD ARG 10 9.773 7.511 -9.925 77 HE ARG 10 HE ARG 10 8.191 9.117 -11.676 78 HH11 ARG 10 1HH1 ARG 10 10.614 9.233 -9.178 79 HH12 ARG 10 2HH1 ARG 10 10.176 10.823 -8.646 80 HH21 ARG 10 1HH2 ARG 10 7.606 11.211 -10.985 81 HH22 ARG 10 2HH2 ARG 10 8.465 11.947 -9.674 82 H LEU 11 H LEU 11 12.285 3.804 -11.128 83 HA LEU 11 HA LEU 11 14.929 3.440 -11.992 84 HB2 LEU 11 2HB LEU 11 12.981 1.939 -10.370 85 HB3 LEU 11 3HB LEU 11 14.270 0.978 -11.093 86 HG LEU 11 HG LEU 11 15.946 2.248 -9.935 87 HD11 LEU 11 1HD1 LEU 11 15.498 4.414 -9.621 88 HD12 LEU 11 2HD1 LEU 11 14.702 3.891 -8.137 89 HD13 LEU 11 3HD1 LEU 11 13.755 4.148 -9.602 90 HD21 LEU 11 3HD2 LEU 11 15.285 0.535 -8.544 91 HD22 LEU 11 1HD2 LEU 11 13.659 1.185 -8.338 92 HD23 LEU 11 2HD2 LEU 11 15.021 1.942 -7.512 93 H ALA 12 H ALA 12 11.894 2.010 -13.074 94 HA ALA 12 HA ALA 12 12.971 0.030 -14.753 95 HB1 ALA 12 1HB ALA 12 10.622 0.080 -14.042 96 HB2 ALA 12 2HB ALA 12 10.354 1.498 -15.056 97 HB3 ALA 12 3HB ALA 12 10.780 -0.046 -15.794 98 H ALA 13 H ALA 13 11.973 3.372 -15.430 99 HA ALA 13 HA ALA 13 12.530 3.323 -18.191 100 HB1 ALA 13 1HB ALA 13 12.092 5.447 -16.160 101 HB2 ALA 13 2HB ALA 13 12.799 5.907 -17.709 102 HB3 ALA 13 3HB ALA 13 11.224 5.117 -17.659 103 H ILE 14 H ILE 14 14.503 4.233 -15.395 104 HA ILE 14 HA ILE 14 16.733 5.164 -16.852 105 HB ILE 14 HB ILE 14 16.592 4.014 -14.063 106 HG12 ILE 14 2HG1 ILE 14 16.977 6.909 -14.710 107 HG13 ILE 14 3HG1 ILE 14 15.360 6.222 -14.824 108 HG21 ILE 14 1HG2 ILE 14 18.857 4.723 -15.689 109 HG22 ILE 14 2HG2 ILE 14 18.762 5.762 -14.268 110 HG23 ILE 14 3HG2 ILE 14 18.813 4.010 -14.077 111 HD11 ILE 14 3HD1 ILE 14 15.228 6.807 -12.672 112 HD12 ILE 14 1HD1 ILE 14 16.131 5.318 -12.396 113 HD13 ILE 14 2HD1 ILE 14 16.979 6.863 -12.471 114 H LYS 15 H LYS 15 15.832 1.975 -15.648 115 HA LYS 15 HA LYS 15 18.288 0.696 -16.248 116 HB2 LYS 15 2HB LYS 15 15.814 -0.022 -15.087 117 HB3 LYS 15 3HB LYS 15 16.071 -1.123 -16.434 118 HG2 LYS 15 2HG LYS 15 18.482 -1.294 -15.362 119 HG3 LYS 15 3HG LYS 15 17.599 -0.814 -13.911 120 HD2 LYS 15 2HD LYS 15 16.393 -2.756 -13.838 121 HD3 LYS 15 3HD LYS 15 16.455 -2.988 -15.587 122 HE2 LYS 15 2HE LYS 15 17.988 -4.556 -15.131 123 HE3 LYS 15 3HE LYS 15 19.088 -3.199 -14.890 124 HZ1 LYS 15 3HZ LYS 15 17.878 -4.974 -12.934 125 HZ2 LYS 15 1HZ LYS 15 17.970 -3.345 -12.488 126 HZ3 LYS 15 2HZ LYS 15 19.375 -4.189 -12.904 127 H THR 16 H THR 16 15.255 1.062 -18.037 128 HA THR 16 HA THR 16 15.919 -0.569 -20.225 129 HB THR 16 HB THR 16 14.129 1.868 -20.262 130 HG1 THR 16 HG1 THR 16 13.568 0.281 -18.642 131 HG21 THR 16 3HG2 THR 16 12.962 0.454 -22.040 132 HG22 THR 16 1HG2 THR 16 14.437 -0.512 -22.077 133 HG23 THR 16 2HG2 THR 16 14.494 1.201 -22.493 134 H ARG 17 H ARG 17 16.128 2.975 -19.883 135 HA ARG 17 HA ARG 17 17.358 3.420 -22.379 136 HB2 ARG 17 2HB ARG 17 16.828 4.987 -19.939 137 HB3 ARG 17 3HB ARG 17 18.206 5.531 -20.886 138 HG2 ARG 17 2HG ARG 17 16.301 6.752 -21.607 139 HG3 ARG 17 3HG ARG 17 16.710 5.602 -22.882 140 HD2 ARG 17 2HD ARG 17 14.883 4.251 -22.427 141 HD3 ARG 17 3HD ARG 17 14.712 4.867 -20.784 142 HE ARG 17 HE ARG 17 14.241 6.866 -22.779 143 HH11 ARG 17 1HH1 ARG 17 12.808 4.232 -21.012 144 HH12 ARG 17 2HH1 ARG 17 11.189 4.825 -21.184 145 HH21 ARG 17 1HH2 ARG 17 12.115 7.658 -23.013 146 HH22 ARG 17 2HH2 ARG 17 10.796 6.773 -22.323 147 H CYS 18 H CYS 18 18.629 2.611 -19.222 148 HA CYS 18 HA CYS 18 21.347 3.220 -19.797 149 HB2 CYS 18 2HB CYS 18 20.790 3.123 -17.507 150 HB3 CYS 18 3HB CYS 18 19.986 1.568 -17.681 151 HG CYS 18 HG CYS 18 23.365 1.989 -18.011 152 H GLN 19 H GLN 19 19.344 0.354 -20.140 153 HA GLN 19 HA GLN 19 21.499 -1.411 -20.768 154 HB2 GLN 19 2HB GLN 19 18.524 -1.646 -21.239 155 HB3 GLN 19 3HB GLN 19 19.678 -2.939 -21.536 156 HG2 GLN 19 2HG GLN 19 19.839 -1.781 -18.856 157 HG3 GLN 19 3HG GLN 19 18.301 -2.561 -19.223 158 HE21 GLN 19 1HE2 GLN 19 18.231 -4.590 -18.617 159 HE22 GLN 19 2HE2 GLN 19 19.554 -5.701 -18.598 160 H ALA 20 H ALA 20 19.159 0.434 -22.676 161 HA ALA 20 HA ALA 20 20.128 -0.560 -25.188 162 HB1 ALA 20 1HB ALA 20 18.490 1.930 -24.859 163 HB2 ALA 20 2HB ALA 20 18.505 0.779 -26.196 164 HB3 ALA 20 3HB ALA 20 17.781 0.328 -24.653 165 H LEU 21 H LEU 21 20.807 2.173 -23.127 166 HA LEU 21 HA LEU 21 22.272 3.911 -23.279 167 HB2 LEU 21 2HB LEU 21 23.697 1.755 -24.812 168 HB3 LEU 21 3HB LEU 21 24.434 3.322 -24.483 169 HG LEU 21 HG LEU 21 23.557 2.400 -21.999 170 HD11 LEU 21 1HD1 LEU 21 24.589 0.182 -23.722 171 HD12 LEU 21 2HD1 LEU 21 23.245 0.178 -22.581 172 HD13 LEU 21 3HD1 LEU 21 24.905 0.199 -21.986 173 HD21 LEU 21 3HD2 LEU 21 26.349 2.079 -23.055 174 HD22 LEU 21 1HD2 LEU 21 25.826 2.501 -21.424 175 HD23 LEU 21 2HD2 LEU 21 25.648 3.666 -22.736 176 H GLY 22 H GLY 22 20.162 3.720 -25.325 177 HA2 GLY 22 2HA GLY 22 21.468 4.948 -27.651 178 HA3 GLY 22 3HA GLY 22 19.817 4.347 -27.597 179 H GLY 23 H GLY 23 20.782 6.197 -24.888 180 HA2 GLY 23 2HA GLY 23 18.922 8.291 -25.643 181 HA3 GLY 23 3HA GLY 23 19.724 8.115 -24.089 182 H SER 24 H SER 24 22.250 8.358 -24.358 183 HA SER 24 HA SER 24 23.316 10.017 -26.335 184 HB2 SER 24 2HB SER 24 21.707 11.407 -24.361 185 HB3 SER 24 3HB SER 24 23.378 11.970 -24.333 186 HG SER 24 HG SER 24 21.450 12.440 -26.160 187 H GLU 25 H GLU 25 25.491 10.133 -26.122 188 HA GLU 25 HA GLU 25 26.860 8.515 -24.368 189 HB2 GLU 25 2HB GLU 25 28.889 9.790 -25.002 190 HB3 GLU 25 3HB GLU 25 27.899 9.345 -26.385 191 HG2 GLU 25 2HG GLU 25 26.894 11.668 -26.225 192 HG3 GLU 25 3HG GLU 25 28.208 12.042 -25.112 193 H ALA 26 H ALA 26 25.906 11.866 -23.967 194 HA ALA 26 HA ALA 26 27.385 12.151 -21.490 195 HB1 ALA 26 1HB ALA 26 25.404 14.210 -22.066 196 HB2 ALA 26 2HB ALA 26 27.142 14.351 -21.793 197 HB3 ALA 26 3HB ALA 26 26.532 13.935 -23.395 198 H GLU 27 H GLU 27 24.068 11.643 -22.541 199 HA GLU 27 HA GLU 27 22.668 12.163 -20.225 200 HB2 GLU 27 2HB GLU 27 22.268 10.428 -22.575 201 HB3 GLU 27 3HB GLU 27 21.353 9.967 -21.146 202 HG2 GLU 27 2HG GLU 27 21.331 12.740 -22.305 203 HG3 GLU 27 3HG GLU 27 20.169 11.488 -22.741 204 H CYS 28 H CYS 28 24.679 9.407 -21.009 205 HA CYS 28 HA CYS 28 23.897 7.570 -19.109 206 HB2 CYS 28 2HB CYS 28 26.760 8.146 -19.890 207 HB3 CYS 28 3HB CYS 28 26.123 6.631 -19.263 208 HG CYS 28 HG CYS 28 25.160 5.679 -21.494 209 H ALA 29 H ALA 29 26.145 10.285 -18.730 210 HA ALA 29 HA ALA 29 26.997 9.809 -16.134 211 HB1 ALA 29 1HB ALA 29 26.475 12.625 -16.888 212 HB2 ALA 29 2HB ALA 29 27.922 11.880 -16.207 213 HB3 ALA 29 3HB ALA 29 27.560 11.698 -17.924 214 H ALA 30 H ALA 30 24.272 11.868 -17.168 215 HA ALA 30 HA ALA 30 23.337 12.559 -14.645 216 HB1 ALA 30 1HB ALA 30 22.529 12.984 -17.267 217 HB2 ALA 30 2HB ALA 30 21.161 12.170 -16.508 218 HB3 ALA 30 3HB ALA 30 21.796 13.660 -15.812 219 H PHE 31 H PHE 31 22.776 9.658 -16.549 220 HA PHE 31 HA PHE 31 20.661 8.594 -15.027 221 HB2 PHE 31 2HB PHE 31 22.511 7.631 -17.092 222 HB3 PHE 31 3HB PHE 31 21.979 6.379 -15.975 223 HD1 PHE 31 HD2 PHE 31 20.000 9.308 -17.046 224 HD2 PHE 31 HD1 PHE 31 20.615 5.112 -17.413 225 HE1 PHE 31 HE2 PHE 31 17.883 9.109 -18.284 226 HE2 PHE 31 HE1 PHE 31 18.499 4.907 -18.652 227 HZ PHE 31 HZ PHE 31 17.129 6.907 -19.088 228 H GLU 32 H GLU 32 24.167 8.012 -14.863 229 HA GLU 32 HA GLU 32 24.160 6.173 -12.773 230 HB2 GLU 32 2HB GLU 32 26.265 8.264 -13.356 231 HB3 GLU 32 3HB GLU 32 26.496 6.795 -12.417 232 HG2 GLU 32 2HG GLU 32 26.866 5.585 -14.236 233 HG3 GLU 32 3HG GLU 32 25.429 6.216 -15.037 234 H LYS 33 H LYS 33 24.465 9.713 -12.641 235 HA LYS 33 HA LYS 33 24.722 9.967 -9.873 236 HB2 LYS 33 2HB LYS 33 24.243 11.707 -12.125 237 HB3 LYS 33 3HB LYS 33 23.257 12.199 -10.754 238 HG2 LYS 33 2HG LYS 33 25.006 13.099 -9.738 239 HG3 LYS 33 3HG LYS 33 25.938 11.609 -9.899 240 HD2 LYS 33 2HD LYS 33 27.254 12.936 -11.181 241 HD3 LYS 33 3HD LYS 33 26.084 12.491 -12.425 242 HE2 LYS 33 2HE LYS 33 24.788 14.577 -11.596 243 HE3 LYS 33 3HE LYS 33 26.330 15.045 -10.881 244 HZ1 LYS 33 3HZ LYS 33 26.970 15.788 -12.849 245 HZ2 LYS 33 1HZ LYS 33 25.495 15.327 -13.537 246 HZ3 LYS 33 2HZ LYS 33 26.796 14.245 -13.520 247 H GLU 34 H GLU 34 21.796 10.064 -11.894 248 HA GLU 34 HA GLU 34 19.927 10.550 -9.902 249 HB2 GLU 34 2HB GLU 34 19.876 9.878 -12.629 250 HB3 GLU 34 3HB GLU 34 18.890 8.664 -11.826 251 HG2 GLU 34 2HG GLU 34 18.056 11.015 -10.668 252 HG3 GLU 34 3HG GLU 34 18.343 11.466 -12.347 253 H ILE 35 H ILE 35 21.165 7.435 -11.076 254 HA ILE 35 HA ILE 35 19.600 5.774 -9.463 255 HB ILE 35 HB ILE 35 22.381 5.331 -10.549 256 HG12 ILE 35 2HG1 ILE 35 20.568 5.670 -12.216 257 HG13 ILE 35 3HG1 ILE 35 21.267 4.056 -12.285 258 HG21 ILE 35 1HG2 ILE 35 22.434 3.639 -9.070 259 HG22 ILE 35 2HG2 ILE 35 20.692 3.681 -8.804 260 HG23 ILE 35 3HG2 ILE 35 21.349 2.848 -10.212 261 HD11 ILE 35 3HD1 ILE 35 19.065 4.009 -10.491 262 HD12 ILE 35 1HD1 ILE 35 18.561 4.788 -11.991 263 HD13 ILE 35 2HD1 ILE 35 19.263 3.170 -12.030 264 H ALA 36 H ALA 36 22.801 7.188 -8.867 265 HA ALA 36 HA ALA 36 23.355 5.976 -6.425 266 HB1 ALA 36 1HB ALA 36 24.501 8.417 -6.115 267 HB2 ALA 36 2HB ALA 36 25.204 7.089 -7.040 268 HB3 ALA 36 3HB ALA 36 24.293 8.353 -7.865 269 H ALA 37 H ALA 37 21.674 9.043 -7.071 270 HA ALA 37 HA ALA 37 21.179 9.661 -4.352 271 HB1 ALA 37 1HB ALA 37 21.119 11.413 -5.980 272 HB2 ALA 37 2HB ALA 37 19.834 10.604 -6.878 273 HB3 ALA 37 3HB ALA 37 19.509 11.265 -5.275 274 H PHE 38 H PHE 38 19.466 7.761 -6.740 275 HA PHE 38 HA PHE 38 16.970 7.606 -5.464 276 HB2 PHE 38 2HB PHE 38 18.326 6.277 -7.664 277 HB3 PHE 38 3HB PHE 38 17.322 5.157 -6.749 278 HD1 PHE 38 HD1 PHE 38 14.943 6.313 -6.080 279 HD2 PHE 38 HD2 PHE 38 17.325 7.208 -9.492 280 HE1 PHE 38 HE1 PHE 38 12.946 7.144 -7.252 281 HE2 PHE 38 HE2 PHE 38 15.332 8.042 -10.668 282 HZ PHE 38 HZ PHE 38 13.139 8.012 -9.548 283 H GLU 39 H GLU 39 19.710 5.327 -5.384 284 HA GLU 39 HA GLU 39 18.557 3.613 -3.454 285 HB2 GLU 39 2HB GLU 39 20.873 2.728 -3.197 286 HB3 GLU 39 3HB GLU 39 20.321 2.792 -4.865 287 HG2 GLU 39 2HG GLU 39 21.590 4.844 -5.215 288 HG3 GLU 39 3HG GLU 39 22.139 4.792 -3.541 289 H SER 40 H SER 40 20.687 6.409 -3.217 290 HA SER 40 HA SER 40 21.222 6.145 -0.438 291 HB2 SER 40 2HB SER 40 22.592 7.484 -2.084 292 HB3 SER 40 3HB SER 40 21.311 8.696 -2.060 293 HG SER 40 HG SER 40 21.729 9.094 0.071 294 H GLU 41 H GLU 41 18.613 7.501 -2.275 295 HA GLU 41 HA GLU 41 17.554 9.061 -0.094 296 HB2 GLU 41 2HB GLU 41 16.758 8.486 -2.904 297 HB3 GLU 41 3HB GLU 41 15.494 8.984 -1.788 298 HG2 GLU 41 2HG GLU 41 17.475 10.808 -1.294 299 HG3 GLU 41 3HG GLU 41 17.619 10.539 -3.030 300 H LEU 42 H LEU 42 16.872 5.952 -1.617 301 HA LEU 42 HA LEU 42 14.552 5.417 -0.031 302 HB2 LEU 42 2HB LEU 42 16.297 3.608 -1.693 303 HB3 LEU 42 3HB LEU 42 14.789 3.111 -0.929 304 HG LEU 42 HG LEU 42 14.626 5.450 -2.727 305 HD11 LEU 42 1HD1 LEU 42 14.362 3.220 -4.410 306 HD12 LEU 42 2HD1 LEU 42 15.908 3.036 -3.583 307 HD13 LEU 42 3HD1 LEU 42 15.566 4.505 -4.497 308 HD21 LEU 42 3HD2 LEU 42 12.694 3.689 -3.440 309 HD22 LEU 42 1HD2 LEU 42 12.523 4.894 -2.164 310 HD23 LEU 42 2HD2 LEU 42 12.958 3.235 -1.756 311 H GLN 43 H GLN 43 17.976 4.786 0.258 312 HA GLN 43 HA GLN 43 17.720 2.893 2.394 313 HB2 GLN 43 2HB GLN 43 20.061 2.833 2.441 314 HB3 GLN 43 3HB GLN 43 19.678 3.144 0.753 315 HG2 GLN 43 2HG GLN 43 21.240 4.737 0.971 316 HG3 GLN 43 3HG GLN 43 19.902 5.666 1.644 317 HE21 GLN 43 1HE2 GLN 43 22.845 3.978 2.312 318 HE22 GLN 43 2HE2 GLN 43 23.022 4.503 3.949 319 H ALA 44 H ALA 44 17.610 6.291 2.159 320 HA ALA 44 HA ALA 44 18.477 6.800 4.872 321 HB1 ALA 44 1HB ALA 44 18.650 8.344 2.757 322 HB2 ALA 44 2HB ALA 44 17.031 8.839 3.252 323 HB3 ALA 44 3HB ALA 44 18.389 9.032 4.360 324 H TYR 45 H TYR 45 15.601 5.868 3.333 325 HA TYR 45 HA TYR 45 13.583 7.135 4.702 326 HB2 TYR 45 2HB TYR 45 13.891 4.482 3.424 327 HB3 TYR 45 3HB TYR 45 12.554 4.641 4.558 328 HD1 TYR 45 HD2 TYR 45 11.486 7.248 4.162 329 HD2 TYR 45 HD1 TYR 45 13.118 4.603 1.257 330 HE1 TYR 45 HE2 TYR 45 10.134 8.337 2.420 331 HE2 TYR 45 HE1 TYR 45 11.771 5.685 -0.494 332 HH TYR 45 HH TYR 45 9.331 7.160 -0.290 333 H LYS 46 H LYS 46 15.051 4.025 5.658 334 HA LYS 46 HA LYS 46 15.069 4.768 8.429 335 HB2 LYS 46 2HB LYS 46 13.621 2.735 9.053 336 HB3 LYS 46 3HB LYS 46 12.802 4.190 8.499 337 HG2 LYS 46 2HG LYS 46 12.644 3.190 6.241 338 HG3 LYS 46 3HG LYS 46 13.356 1.709 6.885 339 HD2 LYS 46 2HD LYS 46 11.281 1.055 7.376 340 HD3 LYS 46 3HD LYS 46 11.279 2.293 8.634 341 HE2 LYS 46 2HE LYS 46 10.441 3.915 6.937 342 HE3 LYS 46 3HE LYS 46 10.306 2.580 5.794 343 HZ1 LYS 46 3HZ LYS 46 8.684 3.175 8.156 344 HZ2 LYS 46 1HZ LYS 46 8.919 1.550 7.750 345 HZ3 LYS 46 2HZ LYS 46 8.209 2.606 6.636 346 H GLY 47 H GLY 47 15.134 2.018 6.169 347 HA2 GLY 47 2HA GLY 47 16.651 0.314 5.918 348 HA3 GLY 47 3HA GLY 47 17.804 1.338 6.759 349 H LYS 48 H LYS 48 17.779 -1.423 7.065 350 HA LYS 48 HA LYS 48 17.910 -3.009 8.690 351 HB2 LYS 48 2HB LYS 48 18.659 -0.771 9.942 352 HB3 LYS 48 3HB LYS 48 17.189 -1.095 10.853 353 HG2 LYS 48 2HG LYS 48 18.437 -2.407 12.137 354 HG3 LYS 48 3HG LYS 48 18.449 -3.545 10.787 355 HD2 LYS 48 2HD LYS 48 20.466 -2.188 9.939 356 HD3 LYS 48 3HD LYS 48 20.532 -1.534 11.577 357 HE2 LYS 48 2HE LYS 48 20.656 -4.455 10.831 358 HE3 LYS 48 3HE LYS 48 22.026 -3.454 11.310 359 HZ1 LYS 48 3HZ LYS 48 21.333 -4.674 13.202 360 HZ2 LYS 48 1HZ LYS 48 19.710 -4.251 12.981 361 HZ3 LYS 48 2HZ LYS 48 20.833 -3.078 13.451 362 H GLY 49 H GLY 49 16.271 -4.406 8.497 363 HA2 GLY 49 2HA GLY 49 14.364 -5.442 9.436 364 HA3 GLY 49 3HA GLY 49 13.844 -3.878 10.046 365 H ASN 50 H ASN 50 14.453 -2.731 7.299 366 HA ASN 50 HA ASN 50 11.942 -3.618 6.044 367 HB2 ASN 50 2HB ASN 50 12.019 -1.345 4.917 368 HB3 ASN 50 3HB ASN 50 11.741 -1.327 6.656 369 HD21 ASN 50 1HD2 ASN 50 13.714 -0.282 4.106 370 HD22 ASN 50 2HD2 ASN 50 14.918 0.521 5.049 371 HA PRO 51 HA PRO 51 15.103 -5.109 3.099 372 HB2 PRO 51 2HB PRO 51 13.554 -7.123 2.144 373 HB3 PRO 51 3HB PRO 51 14.514 -7.267 3.621 374 HG2 PRO 51 2HG PRO 51 11.594 -6.685 3.309 375 HG3 PRO 51 3HG PRO 51 12.403 -7.765 4.460 376 HD2 PRO 51 2HD PRO 51 11.553 -5.286 5.140 377 HD3 PRO 51 3HD PRO 51 12.990 -6.035 5.865 378 H GLU 52 H GLU 52 11.920 -3.873 2.795 379 HA GLU 52 HA GLU 52 11.352 -4.105 0.107 380 HB2 GLU 52 2HB GLU 52 10.097 -1.970 0.352 381 HB3 GLU 52 3HB GLU 52 9.754 -3.135 1.623 382 HG2 GLU 52 2HG GLU 52 11.543 -1.877 2.971 383 HG3 GLU 52 3HG GLU 52 11.333 -0.600 1.775 384 H VAL 53 H VAL 53 13.441 -1.749 1.719 385 HA VAL 53 HA VAL 53 14.037 -0.304 -0.680 386 HB VAL 53 HB VAL 53 15.438 -0.316 1.997 387 HG11 VAL 53 1HG1 VAL 53 15.787 1.460 -0.411 388 HG12 VAL 53 2HG1 VAL 53 16.388 1.860 1.199 389 HG13 VAL 53 3HG1 VAL 53 17.000 0.436 0.357 390 HG21 VAL 53 3HG2 VAL 53 12.954 0.549 1.560 391 HG22 VAL 53 1HG2 VAL 53 14.059 1.359 2.671 392 HG23 VAL 53 2HG2 VAL 53 13.835 1.985 1.037 393 H GLU 54 H GLU 54 15.269 -3.142 0.839 394 HA GLU 54 HA GLU 54 17.900 -3.195 -0.057 395 HB2 GLU 54 2HB GLU 54 17.924 -5.296 0.758 396 HB3 GLU 54 3HB GLU 54 16.312 -4.907 1.341 397 HG2 GLU 54 2HG GLU 54 15.395 -5.860 -0.769 398 HG3 GLU 54 3HG GLU 54 17.027 -6.385 -1.178 399 H ALA 55 H ALA 55 14.915 -3.916 -1.751 400 HA ALA 55 HA ALA 55 16.075 -5.124 -4.033 401 HB1 ALA 55 1HB ALA 55 13.434 -3.715 -3.679 402 HB2 ALA 55 2HB ALA 55 13.897 -4.628 -5.116 403 HB3 ALA 55 3HB ALA 55 13.743 -5.448 -3.562 404 H LEU 56 H LEU 56 14.889 -1.809 -3.476 405 HA LEU 56 HA LEU 56 15.623 -0.769 -5.968 406 HB2 LEU 56 2HB LEU 56 15.563 0.736 -3.360 407 HB3 LEU 56 3HB LEU 56 15.374 1.404 -4.980 408 HG LEU 56 HG LEU 56 13.373 -0.619 -4.355 409 HD11 LEU 56 1HD1 LEU 56 12.882 -0.011 -2.274 410 HD12 LEU 56 2HD1 LEU 56 12.348 1.531 -2.941 411 HD13 LEU 56 3HD1 LEU 56 13.994 1.357 -2.333 412 HD21 LEU 56 3HD2 LEU 56 13.679 1.566 -6.029 413 HD22 LEU 56 1HD2 LEU 56 12.471 2.089 -4.856 414 HD23 LEU 56 2HD2 LEU 56 12.209 0.619 -5.794 415 H ARG 57 H ARG 57 17.439 -1.120 -2.972 416 HA ARG 57 HA ARG 57 19.682 0.419 -3.741 417 HB2 ARG 57 2HB ARG 57 18.888 -0.778 -1.431 418 HB3 ARG 57 3HB ARG 57 20.170 -1.868 -1.943 419 HG2 ARG 57 2HG ARG 57 21.807 -0.290 -1.688 420 HG3 ARG 57 3HG ARG 57 20.700 1.058 -1.953 421 HD2 ARG 57 2HD ARG 57 20.558 1.320 0.247 422 HD3 ARG 57 3HD ARG 57 19.794 -0.265 0.353 423 HE ARG 57 HE ARG 57 22.611 -0.522 0.227 424 HH11 ARG 57 1HH1 ARG 57 20.029 0.391 2.376 425 HH12 ARG 57 2HH1 ARG 57 20.896 -0.042 3.812 426 HH21 ARG 57 1HH2 ARG 57 23.763 -1.095 2.111 427 HH22 ARG 57 2HH2 ARG 57 23.020 -0.886 3.660 428 H LYS 58 H LYS 58 18.975 -3.049 -3.959 429 HA LYS 58 HA LYS 58 21.459 -3.858 -4.986 430 HB2 LYS 58 2HB LYS 58 19.225 -5.161 -4.191 431 HB3 LYS 58 3HB LYS 58 19.062 -5.308 -5.936 432 HG2 LYS 58 2HG LYS 58 21.744 -5.929 -5.009 433 HG3 LYS 58 3HG LYS 58 20.510 -6.968 -4.292 434 HD2 LYS 58 2HD LYS 58 20.126 -8.031 -6.228 435 HD3 LYS 58 3HD LYS 58 20.148 -6.531 -7.158 436 HE2 LYS 58 2HE LYS 58 22.003 -7.573 -8.006 437 HE3 LYS 58 3HE LYS 58 22.729 -6.656 -6.687 438 HZ1 LYS 58 3HZ LYS 58 22.121 -9.546 -6.796 439 HZ2 LYS 58 1HZ LYS 58 22.361 -8.753 -5.321 440 HZ3 LYS 58 2HZ LYS 58 23.599 -8.790 -6.473 441 H GLU 59 H GLU 59 18.401 -3.275 -6.733 442 HA GLU 59 HA GLU 59 19.374 -3.587 -9.311 443 HB2 GLU 59 2HB GLU 59 16.999 -2.511 -8.070 444 HB3 GLU 59 3HB GLU 59 17.461 -1.536 -9.457 445 HG2 GLU 59 2HG GLU 59 16.726 -3.065 -10.878 446 HG3 GLU 59 3HG GLU 59 17.632 -4.344 -10.072 447 H ALA 60 H ALA 60 19.084 -0.579 -7.427 448 HA ALA 60 HA ALA 60 20.070 1.214 -9.276 449 HB1 ALA 60 1HB ALA 60 20.152 1.134 -6.289 450 HB2 ALA 60 2HB ALA 60 20.961 2.433 -7.166 451 HB3 ALA 60 3HB ALA 60 19.225 2.188 -7.357 452 H ALA 61 H ALA 61 21.948 -0.562 -6.819 453 HA ALA 61 HA ALA 61 24.472 0.369 -7.481 454 HB1 ALA 61 1HB ALA 61 23.415 -2.036 -6.128 455 HB2 ALA 61 2HB ALA 61 25.082 -2.117 -6.699 456 HB3 ALA 61 3HB ALA 61 24.595 -0.847 -5.577 457 H ALA 62 H ALA 62 22.708 -2.408 -8.815 458 HA ALA 62 HA ALA 62 24.717 -3.383 -10.493 459 HB1 ALA 62 1HB ALA 62 22.003 -3.598 -11.573 460 HB2 ALA 62 2HB ALA 62 23.166 -4.858 -11.160 461 HB3 ALA 62 3HB ALA 62 22.167 -4.134 -9.900 462 H ILE 63 H ILE 63 22.177 -0.984 -11.123 463 HA ILE 63 HA ILE 63 22.727 -0.559 -13.834 464 HB ILE 63 HB ILE 63 21.650 1.417 -11.820 465 HG12 ILE 63 2HG1 ILE 63 19.848 0.122 -13.761 466 HG13 ILE 63 3HG1 ILE 63 20.531 -0.961 -12.553 467 HG21 ILE 63 1HG2 ILE 63 20.705 2.576 -13.757 468 HG22 ILE 63 2HG2 ILE 63 22.466 2.521 -13.831 469 HG23 ILE 63 3HG2 ILE 63 21.507 1.431 -14.832 470 HD11 ILE 63 3HD1 ILE 63 19.650 1.377 -11.224 471 HD12 ILE 63 1HD1 ILE 63 18.361 0.836 -12.299 472 HD13 ILE 63 2HD1 ILE 63 19.028 -0.268 -11.095 473 H ARG 64 H ARG 64 23.994 1.062 -10.943 474 HA ARG 64 HA ARG 64 25.532 3.005 -12.242 475 HB2 ARG 64 2HB ARG 64 24.967 2.812 -9.755 476 HB3 ARG 64 3HB ARG 64 26.317 1.690 -9.648 477 HG2 ARG 64 2HG ARG 64 27.314 3.926 -10.992 478 HG3 ARG 64 3HG ARG 64 26.324 4.560 -9.676 479 HD2 ARG 64 2HD ARG 64 27.634 2.623 -8.361 480 HD3 ARG 64 3HD ARG 64 28.837 3.005 -9.592 481 HE ARG 64 HE ARG 64 28.150 4.588 -7.332 482 HH11 ARG 64 1HH1 ARG 64 29.162 4.781 -10.658 483 HH12 ARG 64 2HH1 ARG 64 29.924 6.326 -10.472 484 HH21 ARG 64 1HH2 ARG 64 29.150 6.622 -7.075 485 HH22 ARG 64 2HH2 ARG 64 29.917 7.372 -8.434 486 H ASP 65 H ASP 65 26.399 -0.262 -11.156 487 HA ASP 65 HA ASP 65 29.100 -0.196 -11.878 488 HB2 ASP 65 2HB ASP 65 27.171 -2.523 -11.766 489 HB3 ASP 65 3HB ASP 65 28.914 -2.692 -11.953 490 H GLU 66 H GLU 66 26.246 -1.176 -13.741 491 HA GLU 66 HA GLU 66 27.586 -2.052 -16.040 492 HB2 GLU 66 2HB GLU 66 24.858 -0.758 -15.890 493 HB3 GLU 66 3HB GLU 66 25.457 -1.777 -17.191 494 HG2 GLU 66 2HG GLU 66 25.068 -3.679 -16.064 495 HG3 GLU 66 3HG GLU 66 25.533 -2.983 -14.513 496 H CYS 67 H CYS 67 26.264 1.143 -15.224 497 HA CYS 67 HA CYS 67 26.870 2.438 -17.618 498 HB2 CYS 67 2HB CYS 67 26.703 3.502 -14.795 499 HB3 CYS 67 3HB CYS 67 26.872 4.533 -16.210 500 HG CYS 67 HG CYS 67 24.149 3.459 -14.862 501 H GLN 68 H GLN 68 28.827 2.011 -14.696 502 HA GLN 68 HA GLN 68 31.026 3.555 -15.601 503 HB2 GLN 68 2HB GLN 68 30.845 1.388 -13.504 504 HB3 GLN 68 3HB GLN 68 32.274 2.376 -13.777 505 HG2 GLN 68 2HG GLN 68 29.585 3.237 -12.764 506 HG3 GLN 68 3HG GLN 68 31.147 3.336 -11.953 507 HE21 GLN 68 1HE2 GLN 68 32.647 4.908 -12.642 508 HE22 GLN 68 2HE2 GLN 68 32.135 6.317 -13.501 509 H ALA 69 H ALA 69 30.080 0.222 -16.018 510 HA ALA 69 HA ALA 69 32.633 -0.639 -17.024 511 HB1 ALA 69 1HB ALA 69 31.304 -2.287 -15.948 512 HB2 ALA 69 2HB ALA 69 29.918 -1.938 -16.981 513 HB3 ALA 69 3HB ALA 69 31.353 -2.705 -17.661 514 H TYR 70 H TYR 70 30.152 1.200 -18.294 515 HA TYR 70 HA TYR 70 30.579 0.289 -21.043 516 HB2 TYR 70 2HB TYR 70 28.603 2.280 -19.909 517 HB3 TYR 70 3HB TYR 70 28.701 1.807 -21.602 518 HD1 TYR 70 HD2 TYR 70 29.287 -1.171 -20.988 519 HD2 TYR 70 HD1 TYR 70 26.340 1.556 -19.580 520 HE1 TYR 70 HE2 TYR 70 27.763 -3.052 -20.553 521 HE2 TYR 70 HE1 TYR 70 24.809 -0.317 -19.140 522 HH TYR 70 HH TYR 70 24.521 -2.715 -20.060 523 H ARG 71 H ARG 71 30.987 3.106 -18.966 524 HA ARG 71 HA ARG 71 32.819 4.231 -20.963 525 HB2 ARG 71 2HB ARG 71 30.452 5.311 -20.895 526 HB3 ARG 71 3HB ARG 71 31.007 6.035 -19.392 527 HG2 ARG 71 2HG ARG 71 32.923 7.009 -20.622 528 HG3 ARG 71 3HG ARG 71 32.236 6.372 -22.118 529 HD2 ARG 71 2HD ARG 71 30.314 7.750 -21.922 530 HD3 ARG 71 3HD ARG 71 30.723 8.198 -20.267 531 HE ARG 71 HE ARG 71 31.759 9.358 -22.684 532 HH11 ARG 71 1HH1 ARG 71 32.335 8.800 -19.296 533 HH12 ARG 71 2HH1 ARG 71 33.412 10.146 -19.124 534 HH21 ARG 71 1HH2 ARG 71 33.176 11.133 -22.470 535 HH22 ARG 71 2HH2 ARG 71 33.890 11.472 -20.930 536 H HIS 72 H HIS 72 33.662 2.760 -18.824 537 HA HIS 72 HA HIS 72 35.495 4.453 -17.570 538 HB2 HIS 72 2HB HIS 72 33.023 4.730 -16.385 539 HB3 HIS 72 3HB HIS 72 33.810 3.537 -15.356 540 HD1 HIS 72 HD1 HIS 72 33.333 7.004 -15.501 541 HD2 HIS 72 HD2 HIS 72 36.643 4.607 -14.754 542 HE1 HIS 72 HE1 HIS 72 34.964 8.474 -14.276 543 H ASN 73 H ASN 73 35.365 1.901 -18.869 544 HA ASN 73 HA ASN 73 36.739 0.316 -16.837 545 HB2 ASN 73 2HB ASN 73 34.643 -0.729 -16.675 546 HB3 ASN 73 3HB ASN 73 34.332 -0.579 -18.401 547 HD21 ASN 73 1HD2 ASN 73 34.343 -2.463 -19.365 548 HD22 ASN 73 2HD2 ASN 73 35.391 -3.790 -19.010 Start of MODEL 10 1 H1 MET 1 H MET 1 0.849 0.826 -0.422 2 HA MET 1 HA MET 1 3.212 -0.384 -1.531 3 HB2 MET 1 2HB MET 1 1.199 1.513 -2.751 4 HB3 MET 1 3HB MET 1 2.477 0.694 -3.638 5 HG2 MET 1 2HG MET 1 1.459 -1.362 -3.482 6 HG3 MET 1 3HG MET 1 0.533 -0.911 -2.052 7 HE1 MET 1 3HE MET 1 0.276 -1.384 -5.943 8 HE2 MET 1 1HE MET 1 -0.281 -2.465 -4.666 9 HE3 MET 1 2HE MET 1 -1.452 -1.636 -5.691 10 H GLY 2 H GLY 2 2.145 2.889 -0.719 11 HA2 GLY 2 2HA GLY 2 3.341 4.821 -0.385 12 HA3 GLY 2 3HA GLY 2 4.770 3.809 -0.234 13 H SER 3 H SER 3 6.264 4.756 -1.476 14 HA SER 3 HA SER 3 5.499 5.696 -4.146 15 HB2 SER 3 2HB SER 3 7.879 6.263 -2.380 16 HB3 SER 3 3HB SER 3 7.844 6.723 -4.082 17 HG SER 3 HG SER 3 6.826 8.425 -3.408 18 H TRP 4 H TRP 4 5.883 2.856 -3.394 19 HA TRP 4 HA TRP 4 8.346 1.930 -4.448 20 HB2 TRP 4 2HB TRP 4 7.112 0.493 -2.977 21 HB3 TRP 4 3HB TRP 4 5.690 0.557 -4.015 22 HD1 TRP 4 HD1 TRP 4 5.919 -0.753 -6.433 23 HE1 TRP 4 HE1 TRP 4 7.251 -2.876 -7.021 24 HE3 TRP 4 HE3 TRP 4 9.154 -0.804 -2.474 25 HZ2 TRP 4 HZ2 TRP 4 9.389 -4.374 -5.948 26 HZ3 TRP 4 HZ3 TRP 4 10.812 -2.617 -2.329 27 HH2 TRP 4 HH2 TRP 4 10.925 -4.364 -4.031 28 H ALA 5 H ALA 5 5.059 1.941 -5.833 29 HA ALA 5 HA ALA 5 5.626 0.921 -8.329 30 HB1 ALA 5 1HB ALA 5 3.720 3.082 -8.533 31 HB2 ALA 5 2HB ALA 5 3.473 1.342 -8.694 32 HB3 ALA 5 3HB ALA 5 3.426 2.097 -7.100 33 H GLU 6 H GLU 6 5.775 4.317 -7.287 34 HA GLU 6 HA GLU 6 6.504 5.408 -9.765 35 HB2 GLU 6 2HB GLU 6 6.221 6.321 -7.069 36 HB3 GLU 6 3HB GLU 6 7.744 6.922 -7.709 37 HG2 GLU 6 2HG GLU 6 6.424 7.722 -9.716 38 HG3 GLU 6 3HG GLU 6 4.976 7.380 -8.770 39 H PHE 7 H PHE 7 8.521 4.370 -7.026 40 HA PHE 7 HA PHE 7 11.000 5.003 -8.178 41 HB2 PHE 7 2HB PHE 7 10.049 3.392 -5.900 42 HB3 PHE 7 3HB PHE 7 11.604 2.894 -6.558 43 HD1 PHE 7 HD2 PHE 7 9.788 5.941 -5.424 44 HD2 PHE 7 HD1 PHE 7 13.523 3.939 -5.827 45 HE1 PHE 7 HE2 PHE 7 10.891 7.753 -4.177 46 HE2 PHE 7 HE1 PHE 7 14.631 5.747 -4.579 47 HZ PHE 7 HZ PHE 7 13.315 7.658 -3.753 48 H LYS 8 H LYS 8 9.004 2.106 -8.360 49 HA LYS 8 HA LYS 8 10.899 0.461 -9.661 50 HB2 LYS 8 2HB LYS 8 7.992 0.380 -9.126 51 HB3 LYS 8 3HB LYS 8 8.538 -0.560 -10.508 52 HG2 LYS 8 2HG LYS 8 10.355 -1.293 -8.636 53 HG3 LYS 8 3HG LYS 8 8.924 -1.019 -7.639 54 HD2 LYS 8 2HD LYS 8 8.893 -3.306 -8.297 55 HD3 LYS 8 3HD LYS 8 7.652 -2.479 -9.242 56 HE2 LYS 8 2HE LYS 8 9.173 -2.351 -11.143 57 HE3 LYS 8 3HE LYS 8 10.438 -3.136 -10.198 58 HZ1 LYS 8 3HZ LYS 8 9.043 -5.103 -10.033 59 HZ2 LYS 8 1HZ LYS 8 9.323 -4.704 -11.653 60 HZ3 LYS 8 2HZ LYS 8 7.831 -4.350 -10.941 61 H GLN 9 H GLN 9 8.381 2.632 -10.864 62 HA GLN 9 HA GLN 9 8.636 1.974 -13.592 63 HB2 GLN 9 2HB GLN 9 7.161 3.840 -12.011 64 HB3 GLN 9 3HB GLN 9 7.898 4.708 -13.351 65 HG2 GLN 9 2HG GLN 9 6.847 3.274 -14.947 66 HG3 GLN 9 3HG GLN 9 6.252 2.213 -13.671 67 HE21 GLN 9 1HE2 GLN 9 5.661 4.980 -15.544 68 HE22 GLN 9 2HE2 GLN 9 4.187 5.470 -14.789 69 H ARG 10 H ARG 10 9.882 4.822 -11.837 70 HA ARG 10 HA ARG 10 11.407 5.886 -13.893 71 HB2 ARG 10 2HB ARG 10 11.968 5.958 -10.922 72 HB3 ARG 10 3HB ARG 10 12.714 7.010 -12.119 73 HG2 ARG 10 2HG ARG 10 10.961 8.381 -12.158 74 HG3 ARG 10 3HG ARG 10 9.810 7.046 -12.245 75 HD2 ARG 10 2HD ARG 10 9.236 7.710 -10.177 76 HD3 ARG 10 3HD ARG 10 10.675 6.817 -9.687 77 HE ARG 10 HE ARG 10 11.601 8.800 -9.062 78 HH11 ARG 10 1HH1 ARG 10 9.123 9.441 -11.422 79 HH12 ARG 10 2HH1 ARG 10 9.278 11.163 -11.309 80 HH21 ARG 10 1HH2 ARG 10 11.814 11.065 -8.903 81 HH22 ARG 10 2HH2 ARG 10 10.810 12.085 -9.876 82 H LEU 11 H LEU 11 12.331 3.506 -11.431 83 HA LEU 11 HA LEU 11 15.032 3.273 -12.159 84 HB2 LEU 11 2HB LEU 11 13.090 1.542 -10.700 85 HB3 LEU 11 3HB LEU 11 14.657 0.878 -11.158 86 HG LEU 11 HG LEU 11 14.549 3.448 -9.642 87 HD11 LEU 11 1HD1 LEU 11 13.292 1.136 -8.701 88 HD12 LEU 11 2HD1 LEU 11 13.749 2.563 -7.772 89 HD13 LEU 11 3HD1 LEU 11 14.855 1.194 -7.886 90 HD21 LEU 11 3HD2 LEU 11 16.623 2.254 -10.665 91 HD22 LEU 11 1HD2 LEU 11 16.473 1.194 -9.264 92 HD23 LEU 11 2HD2 LEU 11 16.714 2.927 -9.037 93 H ALA 12 H ALA 12 12.145 1.578 -13.287 94 HA ALA 12 HA ALA 12 13.434 -0.346 -14.879 95 HB1 ALA 12 1HB ALA 12 10.727 0.862 -15.412 96 HB2 ALA 12 2HB ALA 12 11.309 -0.733 -15.891 97 HB3 ALA 12 3HB ALA 12 11.029 -0.372 -14.188 98 H ALA 13 H ALA 13 12.207 2.892 -15.659 99 HA ALA 13 HA ALA 13 12.816 2.816 -18.411 100 HB1 ALA 13 1HB ALA 13 12.879 5.422 -17.997 101 HB2 ALA 13 2HB ALA 13 11.366 4.517 -17.944 102 HB3 ALA 13 3HB ALA 13 12.185 4.954 -16.445 103 H ILE 14 H ILE 14 14.659 3.935 -15.603 104 HA ILE 14 HA ILE 14 16.840 5.005 -17.033 105 HB ILE 14 HB ILE 14 16.805 3.854 -14.241 106 HG12 ILE 14 2HG1 ILE 14 16.788 6.779 -14.825 107 HG13 ILE 14 3HG1 ILE 14 15.282 5.889 -15.020 108 HG21 ILE 14 1HG2 ILE 14 18.772 5.734 -15.540 109 HG22 ILE 14 2HG2 ILE 14 18.802 5.195 -13.861 110 HG23 ILE 14 3HG2 ILE 14 19.064 4.036 -15.163 111 HD11 ILE 14 3HD1 ILE 14 15.001 6.393 -12.859 112 HD12 ILE 14 1HD1 ILE 14 16.070 5.017 -12.589 113 HD13 ILE 14 2HD1 ILE 14 16.724 6.655 -12.588 114 H LYS 15 H LYS 15 16.184 1.778 -15.759 115 HA LYS 15 HA LYS 15 18.738 0.691 -16.341 116 HB2 LYS 15 2HB LYS 15 16.429 -0.179 -15.049 117 HB3 LYS 15 3HB LYS 15 16.576 -1.250 -16.436 118 HG2 LYS 15 2HG LYS 15 19.146 -1.052 -15.329 119 HG3 LYS 15 3HG LYS 15 18.034 -1.258 -13.974 120 HD2 LYS 15 2HD LYS 15 17.018 -3.177 -15.282 121 HD3 LYS 15 3HD LYS 15 18.405 -3.049 -16.365 122 HE2 LYS 15 2HE LYS 15 18.872 -4.745 -14.740 123 HE3 LYS 15 3HE LYS 15 19.891 -3.349 -14.392 124 HZ1 LYS 15 3HZ LYS 15 19.018 -3.209 -12.377 125 HZ2 LYS 15 1HZ LYS 15 18.156 -4.636 -12.663 126 HZ3 LYS 15 2HZ LYS 15 17.444 -3.138 -12.994 127 H THR 16 H THR 16 15.677 0.775 -18.113 128 HA THR 16 HA THR 16 16.427 -0.879 -20.251 129 HB THR 16 HB THR 16 14.470 1.427 -20.246 130 HG1 THR 16 HG1 THR 16 13.008 -0.047 -19.598 131 HG21 THR 16 3HG2 THR 16 13.454 0.116 -22.163 132 HG22 THR 16 1HG2 THR 16 14.967 -0.787 -22.228 133 HG23 THR 16 2HG2 THR 16 14.966 0.953 -22.516 134 H ARG 17 H ARG 17 16.430 2.682 -20.039 135 HA ARG 17 HA ARG 17 17.636 3.102 -22.552 136 HB2 ARG 17 2HB ARG 17 16.959 4.723 -20.198 137 HB3 ARG 17 3HB ARG 17 18.354 5.309 -21.095 138 HG2 ARG 17 2HG ARG 17 16.720 6.425 -22.199 139 HG3 ARG 17 3HG ARG 17 16.725 4.938 -23.148 140 HD2 ARG 17 2HD ARG 17 14.950 4.123 -21.463 141 HD3 ARG 17 3HD ARG 17 14.786 5.828 -21.043 142 HE ARG 17 HE ARG 17 14.597 5.640 -23.808 143 HH11 ARG 17 1HH1 ARG 17 12.846 4.550 -21.004 144 HH12 ARG 17 2HH1 ARG 17 11.310 4.543 -21.805 145 HH21 ARG 17 1HH2 ARG 17 12.580 5.635 -24.873 146 HH22 ARG 17 2HH2 ARG 17 11.160 5.160 -24.006 147 H CYS 18 H CYS 18 18.944 2.501 -19.363 148 HA CYS 18 HA CYS 18 21.622 3.252 -19.960 149 HB2 CYS 18 2HB CYS 18 21.074 3.212 -17.669 150 HB3 CYS 18 3HB CYS 18 20.352 1.612 -17.781 151 HG CYS 18 HG CYS 18 23.706 2.190 -18.131 152 H GLN 19 H GLN 19 19.784 0.281 -20.247 153 HA GLN 19 HA GLN 19 22.057 -1.374 -20.796 154 HB2 GLN 19 2HB GLN 19 19.100 -1.825 -21.226 155 HB3 GLN 19 3HB GLN 19 20.336 -3.050 -21.485 156 HG2 GLN 19 2HG GLN 19 20.543 -1.837 -18.864 157 HG3 GLN 19 3HG GLN 19 18.959 -2.559 -19.143 158 HE21 GLN 19 1HE2 GLN 19 21.139 -3.369 -17.357 159 HE22 GLN 19 2HE2 GLN 19 21.516 -5.000 -17.786 160 H ALA 20 H ALA 20 19.550 0.180 -22.759 161 HA ALA 20 HA ALA 20 20.581 -0.827 -25.235 162 HB1 ALA 20 1HB ALA 20 18.319 -0.381 -25.360 163 HB2 ALA 20 2HB ALA 20 18.462 1.139 -24.476 164 HB3 ALA 20 3HB ALA 20 19.014 1.036 -26.148 165 H LEU 21 H LEU 21 21.068 2.036 -23.299 166 HA LEU 21 HA LEU 21 22.408 3.862 -23.532 167 HB2 LEU 21 2HB LEU 21 23.999 1.873 -25.143 168 HB3 LEU 21 3HB LEU 21 24.604 3.438 -24.605 169 HG LEU 21 HG LEU 21 23.704 1.246 -22.740 170 HD11 LEU 21 1HD1 LEU 21 25.707 0.284 -22.856 171 HD12 LEU 21 2HD1 LEU 21 26.543 1.835 -22.802 172 HD13 LEU 21 3HD1 LEU 21 25.956 1.203 -24.340 173 HD21 LEU 21 3HD2 LEU 21 24.494 2.556 -21.005 174 HD22 LEU 21 1HD2 LEU 21 23.750 3.751 -22.068 175 HD23 LEU 21 2HD2 LEU 21 25.501 3.541 -22.067 176 H GLY 22 H GLY 22 20.295 3.381 -25.569 177 HA2 GLY 22 2HA GLY 22 21.443 4.584 -27.973 178 HA3 GLY 22 3HA GLY 22 19.808 3.962 -27.802 179 H GLY 23 H GLY 23 21.116 6.073 -25.374 180 HA2 GLY 23 2HA GLY 23 19.140 8.095 -26.159 181 HA3 GLY 23 3HA GLY 23 19.907 7.960 -24.583 182 H SER 24 H SER 24 22.066 8.709 -24.324 183 HA SER 24 HA SER 24 23.384 10.087 -26.476 184 HB2 SER 24 2HB SER 24 22.673 11.870 -24.178 185 HB3 SER 24 3HB SER 24 23.087 12.296 -25.838 186 HG SER 24 HG SER 24 20.924 12.589 -25.697 187 H GLU 25 H GLU 25 25.498 10.807 -25.920 188 HA GLU 25 HA GLU 25 26.816 9.162 -24.048 189 HB2 GLU 25 2HB GLU 25 28.820 10.345 -24.644 190 HB3 GLU 25 3HB GLU 25 27.858 10.127 -26.099 191 HG2 GLU 25 2HG GLU 25 28.319 12.295 -26.417 192 HG3 GLU 25 3HG GLU 25 26.972 12.540 -25.307 193 H ALA 26 H ALA 26 25.462 12.361 -23.836 194 HA ALA 26 HA ALA 26 26.775 12.964 -21.325 195 HB1 ALA 26 1HB ALA 26 24.611 14.740 -21.845 196 HB2 ALA 26 2HB ALA 26 26.345 15.056 -21.920 197 HB3 ALA 26 3HB ALA 26 25.493 14.468 -23.348 198 H GLU 27 H GLU 27 23.515 12.143 -22.451 199 HA GLU 27 HA GLU 27 22.078 12.432 -20.125 200 HB2 GLU 27 2HB GLU 27 20.466 11.572 -21.404 201 HB3 GLU 27 3HB GLU 27 21.675 11.215 -22.628 202 HG2 GLU 27 2HG GLU 27 22.053 9.023 -21.621 203 HG3 GLU 27 3HG GLU 27 20.840 9.380 -20.393 204 H CYS 28 H CYS 28 24.242 9.819 -21.048 205 HA CYS 28 HA CYS 28 23.628 7.893 -19.184 206 HB2 CYS 28 2HB CYS 28 26.375 8.712 -20.152 207 HB3 CYS 28 3HB CYS 28 26.005 7.200 -19.332 208 HG CYS 28 HG CYS 28 23.956 7.423 -21.844 209 H ALA 29 H ALA 29 25.714 10.729 -18.766 210 HA ALA 29 HA ALA 29 26.658 10.234 -16.209 211 HB1 ALA 29 1HB ALA 29 25.948 13.036 -16.750 212 HB2 ALA 29 2HB ALA 29 27.497 12.319 -16.302 213 HB3 ALA 29 3HB ALA 29 26.948 12.258 -17.977 214 H ALA 30 H ALA 30 23.761 12.110 -17.111 215 HA ALA 30 HA ALA 30 22.853 12.638 -14.530 216 HB1 ALA 30 1HB ALA 30 21.012 12.170 -16.857 217 HB2 ALA 30 2HB ALA 30 20.810 13.276 -15.499 218 HB3 ALA 30 3HB ALA 30 22.026 13.608 -16.732 219 H PHE 31 H PHE 31 22.491 9.788 -16.538 220 HA PHE 31 HA PHE 31 20.447 8.520 -15.073 221 HB2 PHE 31 2HB PHE 31 22.356 7.780 -17.169 222 HB3 PHE 31 3HB PHE 31 21.942 6.447 -16.096 223 HD1 PHE 31 HD2 PHE 31 19.669 9.211 -16.971 224 HD2 PHE 31 HD1 PHE 31 20.722 5.143 -17.650 225 HE1 PHE 31 HE2 PHE 31 17.567 8.877 -18.205 226 HE2 PHE 31 HE1 PHE 31 18.621 4.803 -18.886 227 HZ PHE 31 HZ PHE 31 17.040 6.671 -19.164 228 H GLU 32 H GLU 32 23.985 8.163 -14.917 229 HA GLU 32 HA GLU 32 24.053 6.276 -12.852 230 HB2 GLU 32 2HB GLU 32 25.951 7.115 -14.390 231 HB3 GLU 32 3HB GLU 32 26.162 8.391 -13.198 232 HG2 GLU 32 2HG GLU 32 26.260 6.397 -11.515 233 HG3 GLU 32 3HG GLU 32 26.670 5.468 -12.956 234 H LYS 33 H LYS 33 24.166 9.819 -12.736 235 HA LYS 33 HA LYS 33 24.516 10.090 -9.970 236 HB2 LYS 33 2HB LYS 33 23.505 11.840 -12.157 237 HB3 LYS 33 3HB LYS 33 23.176 12.332 -10.501 238 HG2 LYS 33 2HG LYS 33 25.342 12.819 -10.067 239 HG3 LYS 33 3HG LYS 33 25.956 11.544 -11.122 240 HD2 LYS 33 2HD LYS 33 25.242 12.933 -13.077 241 HD3 LYS 33 3HD LYS 33 24.858 14.231 -11.943 242 HE2 LYS 33 2HE LYS 33 27.527 13.105 -11.573 243 HE3 LYS 33 3HE LYS 33 27.285 13.830 -13.162 244 HZ1 LYS 33 3HZ LYS 33 26.261 15.440 -11.018 245 HZ2 LYS 33 1HZ LYS 33 27.281 15.868 -12.298 246 HZ3 LYS 33 2HZ LYS 33 27.927 15.173 -10.898 247 H GLU 34 H GLU 34 21.520 10.163 -11.897 248 HA GLU 34 HA GLU 34 19.703 10.527 -9.844 249 HB2 GLU 34 2HB GLU 34 19.598 9.859 -12.586 250 HB3 GLU 34 3HB GLU 34 18.631 8.656 -11.744 251 HG2 GLU 34 2HG GLU 34 18.290 11.617 -11.360 252 HG3 GLU 34 3HG GLU 34 17.388 10.675 -12.546 253 H ILE 35 H ILE 35 20.972 7.467 -11.131 254 HA ILE 35 HA ILE 35 19.519 5.743 -9.474 255 HB ILE 35 HB ILE 35 22.231 5.387 -10.745 256 HG12 ILE 35 2HG1 ILE 35 20.337 5.661 -12.298 257 HG13 ILE 35 3HG1 ILE 35 21.006 4.035 -12.374 258 HG21 ILE 35 1HG2 ILE 35 22.409 3.745 -9.187 259 HG22 ILE 35 2HG2 ILE 35 20.665 3.613 -8.967 260 HG23 ILE 35 3HG2 ILE 35 21.434 2.873 -10.370 261 HD11 ILE 35 3HD1 ILE 35 18.448 4.923 -11.080 262 HD12 ILE 35 1HD1 ILE 35 18.661 3.813 -12.434 263 HD13 ILE 35 2HD1 ILE 35 19.163 3.333 -10.812 264 H ALA 36 H ALA 36 22.706 7.232 -9.018 265 HA ALA 36 HA ALA 36 23.442 5.976 -6.650 266 HB1 ALA 36 1HB ALA 36 24.984 7.770 -6.314 267 HB2 ALA 36 2HB ALA 36 24.886 7.458 -8.048 268 HB3 ALA 36 3HB ALA 36 24.045 8.843 -7.352 269 H ALA 37 H ALA 37 21.617 8.997 -7.095 270 HA ALA 37 HA ALA 37 21.244 9.487 -4.327 271 HB1 ALA 37 1HB ALA 37 21.076 11.264 -5.984 272 HB2 ALA 37 2HB ALA 37 19.652 10.492 -6.683 273 HB3 ALA 37 3HB ALA 37 19.588 11.139 -5.044 274 H PHE 38 H PHE 38 19.502 7.612 -6.702 275 HA PHE 38 HA PHE 38 17.060 7.342 -5.331 276 HB2 PHE 38 2HB PHE 38 18.262 6.288 -7.696 277 HB3 PHE 38 3HB PHE 38 17.595 4.946 -6.772 278 HD1 PHE 38 HD2 PHE 38 16.408 8.449 -7.212 279 HD2 PHE 38 HD1 PHE 38 15.640 4.304 -7.804 280 HE1 PHE 38 HE2 PHE 38 14.161 8.989 -8.056 281 HE2 PHE 38 HE1 PHE 38 13.391 4.838 -8.650 282 HZ PHE 38 HZ PHE 38 12.649 7.183 -8.775 283 H GLU 39 H GLU 39 19.853 5.130 -5.479 284 HA GLU 39 HA GLU 39 18.836 3.322 -3.558 285 HB2 GLU 39 2HB GLU 39 21.088 2.378 -3.523 286 HB3 GLU 39 3HB GLU 39 20.570 2.693 -5.173 287 HG2 GLU 39 2HG GLU 39 21.880 4.778 -5.157 288 HG3 GLU 39 3HG GLU 39 22.447 4.382 -3.536 289 H SER 40 H SER 40 20.925 6.148 -3.334 290 HA SER 40 HA SER 40 21.627 5.788 -0.603 291 HB2 SER 40 2HB SER 40 23.044 7.176 -1.938 292 HB3 SER 40 3HB SER 40 21.693 8.200 -2.423 293 HG SER 40 HG SER 40 21.841 9.263 -0.603 294 H GLU 41 H GLU 41 18.911 7.212 -2.240 295 HA GLU 41 HA GLU 41 17.948 8.634 0.074 296 HB2 GLU 41 2HB GLU 41 16.940 8.151 -2.701 297 HB3 GLU 41 3HB GLU 41 15.819 8.711 -1.468 298 HG2 GLU 41 2HG GLU 41 18.374 10.177 -1.742 299 HG3 GLU 41 3HG GLU 41 17.183 10.368 -3.027 300 H LEU 42 H LEU 42 17.293 5.574 -1.532 301 HA LEU 42 HA LEU 42 15.024 4.933 0.099 302 HB2 LEU 42 2HB LEU 42 16.740 3.274 -1.738 303 HB3 LEU 42 3HB LEU 42 15.325 2.649 -0.893 304 HG LEU 42 HG LEU 42 14.995 5.041 -2.637 305 HD11 LEU 42 1HD1 LEU 42 14.443 2.808 -4.232 306 HD12 LEU 42 2HD1 LEU 42 16.053 2.540 -3.566 307 HD13 LEU 42 3HD1 LEU 42 15.707 4.015 -4.468 308 HD21 LEU 42 3HD2 LEU 42 12.968 4.567 -1.746 309 HD22 LEU 42 1HD2 LEU 42 13.353 2.864 -1.494 310 HD23 LEU 42 2HD2 LEU 42 12.902 3.438 -3.100 311 H GLN 43 H GLN 43 18.469 4.348 0.232 312 HA GLN 43 HA GLN 43 18.316 2.375 2.308 313 HB2 GLN 43 2HB GLN 43 20.663 2.345 2.264 314 HB3 GLN 43 3HB GLN 43 20.200 2.681 0.601 315 HG2 GLN 43 2HG GLN 43 21.702 4.323 0.739 316 HG3 GLN 43 3HG GLN 43 20.432 5.191 1.600 317 HE21 GLN 43 1HE2 GLN 43 22.829 2.683 2.365 318 HE22 GLN 43 2HE2 GLN 43 23.407 3.437 3.808 319 H ALA 44 H ALA 44 18.287 5.804 2.176 320 HA ALA 44 HA ALA 44 19.274 6.265 4.828 321 HB1 ALA 44 1HB ALA 44 18.975 8.508 4.412 322 HB2 ALA 44 2HB ALA 44 19.179 7.878 2.777 323 HB3 ALA 44 3HB ALA 44 17.565 8.242 3.387 324 H TYR 45 H TYR 45 16.178 5.596 3.394 325 HA TYR 45 HA TYR 45 14.414 6.600 5.261 326 HB2 TYR 45 2HB TYR 45 14.350 4.176 3.497 327 HB3 TYR 45 3HB TYR 45 13.047 4.459 4.645 328 HD1 TYR 45 HD2 TYR 45 12.638 7.323 4.547 329 HD2 TYR 45 HD1 TYR 45 13.534 4.628 1.379 330 HE1 TYR 45 HE2 TYR 45 11.559 8.851 2.950 331 HE2 TYR 45 HE1 TYR 45 12.459 6.149 -0.227 332 HH TYR 45 HH TYR 45 10.908 9.157 0.847 333 H LYS 46 H LYS 46 15.716 3.277 5.238 334 HA LYS 46 HA LYS 46 16.074 1.770 6.903 335 HB2 LYS 46 2HB LYS 46 17.617 3.514 7.707 336 HB3 LYS 46 3HB LYS 46 16.305 4.252 8.616 337 HG2 LYS 46 2HG LYS 46 16.123 1.915 9.739 338 HG3 LYS 46 3HG LYS 46 17.768 1.704 9.135 339 HD2 LYS 46 2HD LYS 46 17.180 4.245 10.534 340 HD3 LYS 46 3HD LYS 46 17.210 2.784 11.525 341 HE2 LYS 46 2HE LYS 46 19.416 3.628 9.649 342 HE3 LYS 46 3HE LYS 46 19.401 3.954 11.382 343 HZ1 LYS 46 3HZ LYS 46 18.908 1.218 10.948 344 HZ2 LYS 46 1HZ LYS 46 20.208 1.943 11.752 345 HZ3 LYS 46 2HZ LYS 46 20.295 1.661 10.087 346 H GLY 47 H GLY 47 14.037 0.818 6.873 347 HA2 GLY 47 2HA GLY 47 12.256 1.680 9.066 348 HA3 GLY 47 3HA GLY 47 11.627 1.163 7.509 349 H LYS 48 H LYS 48 13.712 0.012 10.154 350 HA LYS 48 HA LYS 48 13.903 -2.020 11.158 351 HB2 LYS 48 2HB LYS 48 11.242 -2.737 9.937 352 HB3 LYS 48 3HB LYS 48 11.953 -3.355 11.422 353 HG2 LYS 48 2HG LYS 48 11.785 -0.593 11.781 354 HG3 LYS 48 3HG LYS 48 10.268 -1.063 11.012 355 HD2 LYS 48 2HD LYS 48 9.604 -2.332 12.787 356 HD3 LYS 48 3HD LYS 48 11.256 -2.757 13.240 357 HE2 LYS 48 2HE LYS 48 11.226 -1.183 14.804 358 HE3 LYS 48 3HE LYS 48 10.968 0.042 13.563 359 HZ1 LYS 48 3HZ LYS 48 8.935 0.352 14.342 360 HZ2 LYS 48 1HZ LYS 48 9.185 -0.821 15.535 361 HZ3 LYS 48 2HZ LYS 48 8.538 -1.264 14.037 362 H GLY 49 H GLY 49 15.532 -2.108 9.252 363 HA2 GLY 49 2HA GLY 49 16.674 -3.828 8.124 364 HA3 GLY 49 3HA GLY 49 15.165 -4.721 8.004 365 H ASN 50 H ASN 50 13.933 -2.067 7.048 366 HA ASN 50 HA ASN 50 13.193 -1.434 4.965 367 HB2 ASN 50 2HB ASN 50 15.105 -0.433 3.600 368 HB3 ASN 50 3HB ASN 50 14.894 0.192 5.233 369 HD21 ASN 50 1HD2 ASN 50 16.966 -1.421 3.056 370 HD22 ASN 50 2HD2 ASN 50 18.304 -1.635 4.128 371 HA PRO 51 HA PRO 51 14.236 -5.483 2.919 372 HB2 PRO 51 2HB PRO 51 11.655 -6.262 2.599 373 HB3 PRO 51 3HB PRO 51 12.584 -6.593 4.066 374 HG2 PRO 51 2HG PRO 51 10.583 -4.430 3.539 375 HG3 PRO 51 3HG PRO 51 10.779 -5.446 4.979 376 HD2 PRO 51 2HD PRO 51 11.705 -2.904 4.852 377 HD3 PRO 51 3HD PRO 51 12.515 -4.170 5.797 378 H GLU 52 H GLU 52 11.624 -3.181 2.191 379 HA GLU 52 HA GLU 52 11.364 -3.797 -0.534 380 HB2 GLU 52 2HB GLU 52 10.388 -1.468 -0.699 381 HB3 GLU 52 3HB GLU 52 9.635 -2.531 0.482 382 HG2 GLU 52 2HG GLU 52 10.708 -1.428 2.287 383 HG3 GLU 52 3HG GLU 52 11.747 -0.517 1.193 384 H VAL 53 H VAL 53 13.534 -1.628 1.180 385 HA VAL 53 HA VAL 53 14.557 -0.284 -1.093 386 HB VAL 53 HB VAL 53 15.885 -0.750 1.581 387 HG11 VAL 53 1HG1 VAL 53 17.591 -0.072 0.134 388 HG12 VAL 53 2HG1 VAL 53 16.535 1.042 -0.737 389 HG13 VAL 53 3HG1 VAL 53 17.061 1.424 0.902 390 HG21 VAL 53 3HG2 VAL 53 14.386 1.696 0.671 391 HG22 VAL 53 1HG2 VAL 53 13.635 0.395 1.595 392 HG23 VAL 53 2HG2 VAL 53 14.968 1.316 2.291 393 H GLU 54 H GLU 54 15.103 -3.414 0.208 394 HA GLU 54 HA GLU 54 17.715 -3.949 -0.577 395 HB2 GLU 54 2HB GLU 54 15.363 -5.847 -0.618 396 HB3 GLU 54 3HB GLU 54 17.059 -6.311 -0.614 397 HG2 GLU 54 2HG GLU 54 16.020 -4.593 1.584 398 HG3 GLU 54 3HG GLU 54 15.660 -6.318 1.590 399 H ALA 55 H ALA 55 14.722 -4.592 -2.406 400 HA ALA 55 HA ALA 55 15.929 -5.494 -4.753 401 HB1 ALA 55 1HB ALA 55 13.352 -3.947 -4.686 402 HB2 ALA 55 2HB ALA 55 13.832 -5.230 -5.798 403 HB3 ALA 55 3HB ALA 55 13.481 -5.610 -4.112 404 H LEU 56 H LEU 56 14.703 -2.223 -4.023 405 HA LEU 56 HA LEU 56 15.487 -0.976 -6.369 406 HB2 LEU 56 2HB LEU 56 15.552 0.291 -3.638 407 HB3 LEU 56 3HB LEU 56 15.326 1.100 -5.188 408 HG LEU 56 HG LEU 56 13.307 -0.939 -4.509 409 HD11 LEU 56 1HD1 LEU 56 14.035 1.043 -2.583 410 HD12 LEU 56 2HD1 LEU 56 12.759 -0.171 -2.505 411 HD13 LEU 56 3HD1 LEU 56 12.432 1.406 -3.224 412 HD21 LEU 56 3HD2 LEU 56 13.498 1.682 -5.890 413 HD22 LEU 56 1HD2 LEU 56 11.940 1.224 -5.202 414 HD23 LEU 56 2HD2 LEU 56 12.714 0.185 -6.399 415 H ARG 57 H ARG 57 17.338 -1.552 -3.412 416 HA ARG 57 HA ARG 57 19.619 -0.066 -4.103 417 HB2 ARG 57 2HB ARG 57 18.947 -2.166 -2.139 418 HB3 ARG 57 3HB ARG 57 20.650 -2.045 -2.559 419 HG2 ARG 57 2HG ARG 57 20.666 0.296 -1.919 420 HG3 ARG 57 3HG ARG 57 18.942 0.221 -1.553 421 HD2 ARG 57 2HD ARG 57 19.850 -0.059 0.539 422 HD3 ARG 57 3HD ARG 57 19.666 -1.735 0.023 423 HE ARG 57 HE ARG 57 22.232 -0.580 -0.593 424 HH11 ARG 57 1HH1 ARG 57 20.331 -2.286 1.772 425 HH12 ARG 57 2HH1 ARG 57 21.706 -2.967 2.578 426 HH21 ARG 57 1HH2 ARG 57 24.050 -1.469 0.459 427 HH22 ARG 57 2HH2 ARG 57 23.821 -2.500 1.831 428 H LYS 58 H LYS 58 18.813 -3.482 -4.622 429 HA LYS 58 HA LYS 58 21.244 -4.263 -5.778 430 HB2 LYS 58 2HB LYS 58 18.435 -5.317 -6.071 431 HB3 LYS 58 3HB LYS 58 19.809 -6.072 -6.868 432 HG2 LYS 58 2HG LYS 58 19.953 -5.589 -3.937 433 HG3 LYS 58 3HG LYS 58 18.953 -6.914 -4.536 434 HD2 LYS 58 2HD LYS 58 20.922 -8.035 -4.329 435 HD3 LYS 58 3HD LYS 58 21.151 -7.400 -5.959 436 HE2 LYS 58 2HE LYS 58 23.024 -6.442 -5.242 437 HE3 LYS 58 3HE LYS 58 22.032 -5.377 -4.248 438 HZ1 LYS 58 3HZ LYS 58 22.118 -7.173 -2.518 439 HZ2 LYS 58 1HZ LYS 58 23.586 -6.388 -2.817 440 HZ3 LYS 58 2HZ LYS 58 23.308 -7.930 -3.452 441 H GLU 59 H GLU 59 18.181 -3.440 -7.418 442 HA GLU 59 HA GLU 59 19.096 -3.523 -10.025 443 HB2 GLU 59 2HB GLU 59 17.008 -1.705 -8.812 444 HB3 GLU 59 3HB GLU 59 17.245 -1.930 -10.539 445 HG2 GLU 59 2HG GLU 59 16.915 -4.451 -9.969 446 HG3 GLU 59 3HG GLU 59 16.141 -3.818 -8.517 447 H ALA 60 H ALA 60 18.943 -0.682 -7.880 448 HA ALA 60 HA ALA 60 19.993 1.224 -9.570 449 HB1 ALA 60 1HB ALA 60 20.928 2.244 -7.397 450 HB2 ALA 60 2HB ALA 60 19.184 2.020 -7.540 451 HB3 ALA 60 3HB ALA 60 20.144 0.880 -6.598 452 H ALA 61 H ALA 61 21.818 -0.834 -7.299 453 HA ALA 61 HA ALA 61 24.372 0.047 -7.909 454 HB1 ALA 61 1HB ALA 61 25.127 -2.204 -7.134 455 HB2 ALA 61 2HB ALA 61 24.018 -1.387 -6.032 456 HB3 ALA 61 3HB ALA 61 23.432 -2.689 -7.068 457 H ALA 62 H ALA 62 22.467 -2.505 -9.472 458 HA ALA 62 HA ALA 62 24.417 -3.430 -11.245 459 HB1 ALA 62 1HB ALA 62 21.563 -3.323 -12.099 460 HB2 ALA 62 2HB ALA 62 22.743 -4.625 -12.265 461 HB3 ALA 62 3HB ALA 62 22.005 -4.297 -10.697 462 H ILE 63 H ILE 63 21.965 -0.893 -11.682 463 HA ILE 63 HA ILE 63 22.574 -0.243 -14.333 464 HB ILE 63 HB ILE 63 21.547 1.604 -12.175 465 HG12 ILE 63 2HG1 ILE 63 19.683 0.528 -14.176 466 HG13 ILE 63 3HG1 ILE 63 20.359 -0.689 -13.099 467 HG21 ILE 63 1HG2 ILE 63 20.656 2.940 -14.003 468 HG22 ILE 63 2HG2 ILE 63 22.407 2.792 -14.136 469 HG23 ILE 63 3HG2 ILE 63 21.359 1.827 -15.176 470 HD11 ILE 63 3HD1 ILE 63 19.591 1.508 -11.504 471 HD12 ILE 63 1HD1 ILE 63 18.263 1.161 -12.612 472 HD13 ILE 63 2HD1 ILE 63 18.889 -0.109 -11.560 473 H ARG 64 H ARG 64 23.856 1.062 -11.294 474 HA ARG 64 HA ARG 64 25.467 3.070 -12.382 475 HB2 ARG 64 2HB ARG 64 24.878 2.312 -9.872 476 HB3 ARG 64 3HB ARG 64 26.488 1.617 -10.005 477 HG2 ARG 64 2HG ARG 64 27.099 4.008 -10.899 478 HG3 ARG 64 3HG ARG 64 25.644 4.467 -10.012 479 HD2 ARG 64 2HD ARG 64 26.688 3.126 -8.067 480 HD3 ARG 64 3HD ARG 64 28.190 3.273 -8.978 481 HE ARG 64 HE ARG 64 27.306 5.819 -8.864 482 HH11 ARG 64 1HH1 ARG 64 27.783 3.362 -6.445 483 HH12 ARG 64 2HH1 ARG 64 28.146 4.491 -5.182 484 HH21 ARG 64 1HH2 ARG 64 27.782 7.316 -7.210 485 HH22 ARG 64 2HH2 ARG 64 28.144 6.740 -5.619 486 H ASP 65 H ASP 65 26.242 -0.310 -11.609 487 HA ASP 65 HA ASP 65 28.941 -0.254 -12.328 488 HB2 ASP 65 2HB ASP 65 26.897 -2.468 -12.292 489 HB3 ASP 65 3HB ASP 65 28.570 -2.758 -12.760 490 H GLU 66 H GLU 66 26.061 -0.943 -14.276 491 HA GLU 66 HA GLU 66 27.368 -1.651 -16.649 492 HB2 GLU 66 2HB GLU 66 24.710 -0.233 -16.414 493 HB3 GLU 66 3HB GLU 66 25.265 -1.213 -17.764 494 HG2 GLU 66 2HG GLU 66 25.366 -2.704 -15.302 495 HG3 GLU 66 3HG GLU 66 23.755 -2.043 -15.581 496 H CYS 67 H CYS 67 26.172 1.508 -15.544 497 HA CYS 67 HA CYS 67 26.861 2.994 -17.801 498 HB2 CYS 67 2HB CYS 67 26.702 3.795 -14.892 499 HB3 CYS 67 3HB CYS 67 26.934 4.947 -16.202 500 HG CYS 67 HG CYS 67 24.346 5.331 -15.896 501 H GLN 68 H GLN 68 28.764 2.207 -14.920 502 HA GLN 68 HA GLN 68 31.035 3.739 -15.653 503 HB2 GLN 68 2HB GLN 68 31.034 1.297 -13.881 504 HB3 GLN 68 3HB GLN 68 32.167 2.642 -13.856 505 HG2 GLN 68 2HG GLN 68 29.587 3.717 -13.467 506 HG3 GLN 68 3HG GLN 68 29.740 2.314 -12.410 507 HE21 GLN 68 1HE2 GLN 68 30.793 2.550 -10.558 508 HE22 GLN 68 2HE2 GLN 68 31.765 3.909 -10.121 509 H ALA 69 H ALA 69 29.960 0.503 -16.399 510 HA ALA 69 HA ALA 69 32.487 -0.357 -17.470 511 HB1 ALA 69 1HB ALA 69 29.726 -1.554 -17.617 512 HB2 ALA 69 2HB ALA 69 31.174 -2.315 -18.278 513 HB3 ALA 69 3HB ALA 69 31.044 -2.026 -16.543 514 H TYR 70 H TYR 70 30.093 1.694 -18.568 515 HA TYR 70 HA TYR 70 30.516 1.036 -21.391 516 HB2 TYR 70 2HB TYR 70 28.586 2.965 -20.084 517 HB3 TYR 70 3HB TYR 70 28.689 2.658 -21.814 518 HD1 TYR 70 HD2 TYR 70 29.176 -0.379 -21.505 519 HD2 TYR 70 HD1 TYR 70 26.305 2.278 -19.833 520 HE1 TYR 70 HE2 TYR 70 27.593 -2.247 -21.270 521 HE2 TYR 70 HE1 TYR 70 24.714 0.418 -19.592 522 HH TYR 70 HH TYR 70 24.960 -2.424 -21.151 523 H ARG 71 H ARG 71 30.989 3.618 -19.042 524 HA ARG 71 HA ARG 71 32.866 4.883 -20.910 525 HB2 ARG 71 2HB ARG 71 30.492 6.004 -20.654 526 HB3 ARG 71 3HB ARG 71 31.182 6.623 -19.160 527 HG2 ARG 71 2HG ARG 71 32.903 7.769 -20.333 528 HG3 ARG 71 3HG ARG 71 32.477 6.973 -21.850 529 HD2 ARG 71 2HD ARG 71 30.623 8.279 -22.174 530 HD3 ARG 71 3HD ARG 71 30.387 8.560 -20.449 531 HE ARG 71 HE ARG 71 31.719 10.413 -20.607 532 HH11 ARG 71 1HH1 ARG 71 32.184 8.434 -23.433 533 HH12 ARG 71 2HH1 ARG 71 33.158 9.607 -24.255 534 HH21 ARG 71 1HH2 ARG 71 33.001 11.966 -21.678 535 HH22 ARG 71 2HH2 ARG 71 33.623 11.616 -23.255 536 H HIS 72 H HIS 72 33.644 3.171 -18.925 537 HA HIS 72 HA HIS 72 35.530 4.665 -17.506 538 HB2 HIS 72 2HB HIS 72 33.054 4.889 -16.301 539 HB3 HIS 72 3HB HIS 72 33.822 3.593 -15.389 540 HD1 HIS 72 HD1 HIS 72 33.414 7.073 -15.231 541 HD2 HIS 72 HD2 HIS 72 36.669 4.548 -14.689 542 HE1 HIS 72 HE1 HIS 72 35.074 8.396 -13.881 543 H ASN 73 H ASN 73 35.302 2.256 -19.054 544 HA ASN 73 HA ASN 73 36.610 0.428 -17.187 545 HB2 ASN 73 2HB ASN 73 34.468 -0.541 -17.153 546 HB3 ASN 73 3HB ASN 73 34.200 -0.225 -18.865 547 HD21 ASN 73 1HD2 ASN 73 35.711 -2.295 -16.530 548 HD22 ASN 73 2HD2 ASN 73 36.110 -3.575 -17.619 Start of MODEL 11 1 H1 MET 1 H MET 1 1.746 0.407 -3.841 2 HA MET 1 HA MET 1 1.282 2.105 -2.180 3 HB2 MET 1 2HB MET 1 2.193 1.061 -0.137 4 HB3 MET 1 3HB MET 1 1.503 -0.122 -1.239 5 HG2 MET 1 2HG MET 1 4.331 0.292 -1.710 6 HG3 MET 1 3HG MET 1 3.993 -0.223 -0.060 7 HE1 MET 1 3HE MET 1 4.694 -2.695 0.202 8 HE2 MET 1 1HE MET 1 3.009 -2.417 0.643 9 HE3 MET 1 2HE MET 1 3.453 -3.853 -0.280 10 H GLY 2 H GLY 2 1.992 3.849 -0.981 11 HA2 GLY 2 2HA GLY 2 3.328 5.645 -0.472 12 HA3 GLY 2 3HA GLY 2 4.636 4.478 -0.349 13 H SER 3 H SER 3 6.256 5.577 -1.328 14 HA SER 3 HA SER 3 5.768 6.622 -4.032 15 HB2 SER 3 2HB SER 3 7.892 7.243 -1.978 16 HB3 SER 3 3HB SER 3 8.009 7.778 -3.654 17 HG SER 3 HG SER 3 6.305 9.093 -3.372 18 H TRP 4 H TRP 4 6.199 3.784 -3.316 19 HA TRP 4 HA TRP 4 8.842 3.111 -4.229 20 HB2 TRP 4 2HB TRP 4 7.861 1.607 -2.663 21 HB3 TRP 4 3HB TRP 4 6.387 1.466 -3.618 22 HD1 TRP 4 HD1 TRP 4 6.570 -0.003 -5.914 23 HE1 TRP 4 HE1 TRP 4 8.116 -1.975 -6.506 24 HE3 TRP 4 HE3 TRP 4 10.139 0.654 -2.313 25 HZ2 TRP 4 HZ2 TRP 4 10.528 -3.103 -5.569 26 HZ3 TRP 4 HZ3 TRP 4 12.032 -0.916 -2.229 27 HH2 TRP 4 HH2 TRP 4 12.221 -2.755 -3.824 28 H ALA 5 H ALA 5 5.564 2.941 -5.574 29 HA ALA 5 HA ALA 5 6.071 1.684 -7.972 30 HB1 ALA 5 1HB ALA 5 4.234 3.931 -8.263 31 HB2 ALA 5 2HB ALA 5 3.949 2.199 -8.447 32 HB3 ALA 5 3HB ALA 5 3.907 2.935 -6.844 33 H GLU 6 H GLU 6 6.236 5.182 -7.310 34 HA GLU 6 HA GLU 6 6.999 6.016 -9.853 35 HB2 GLU 6 2HB GLU 6 7.244 7.129 -7.108 36 HB3 GLU 6 3HB GLU 6 8.248 7.852 -8.357 37 HG2 GLU 6 2HG GLU 6 6.535 9.061 -9.040 38 HG3 GLU 6 3HG GLU 6 5.635 7.591 -9.407 39 H PHE 7 H PHE 7 9.060 5.203 -7.066 40 HA PHE 7 HA PHE 7 11.528 5.641 -8.281 41 HB2 PHE 7 2HB PHE 7 10.547 4.235 -5.904 42 HB3 PHE 7 3HB PHE 7 12.024 3.545 -6.567 43 HD1 PHE 7 HD1 PHE 7 10.592 6.898 -5.769 44 HD2 PHE 7 HD2 PHE 7 14.014 4.367 -5.785 45 HE1 PHE 7 HE1 PHE 7 11.903 8.669 -4.675 46 HE2 PHE 7 HE2 PHE 7 15.330 6.134 -4.691 47 HZ PHE 7 HZ PHE 7 14.275 8.289 -4.134 48 H LYS 8 H LYS 8 9.494 2.751 -8.229 49 HA LYS 8 HA LYS 8 11.294 0.999 -9.485 50 HB2 LYS 8 2HB LYS 8 8.396 1.058 -8.932 51 HB3 LYS 8 3HB LYS 8 8.874 0.058 -10.298 52 HG2 LYS 8 2HG LYS 8 10.014 -0.167 -7.520 53 HG3 LYS 8 3HG LYS 8 8.736 -1.191 -8.181 54 HD2 LYS 8 2HD LYS 8 11.071 -1.039 -9.914 55 HD3 LYS 8 3HD LYS 8 11.448 -1.683 -8.314 56 HE2 LYS 8 2HE LYS 8 9.952 -3.465 -8.555 57 HE3 LYS 8 3HE LYS 8 9.101 -2.688 -9.889 58 HZ1 LYS 8 3HZ LYS 8 11.561 -4.240 -9.911 59 HZ2 LYS 8 1HZ LYS 8 11.519 -2.898 -10.941 60 HZ3 LYS 8 2HZ LYS 8 10.350 -4.112 -11.086 61 H GLN 9 H GLN 9 8.793 3.128 -10.824 62 HA GLN 9 HA GLN 9 9.033 2.356 -13.503 63 HB2 GLN 9 2HB GLN 9 7.579 4.264 -12.052 64 HB3 GLN 9 3HB GLN 9 8.480 5.182 -13.251 65 HG2 GLN 9 2HG GLN 9 7.587 3.538 -14.964 66 HG3 GLN 9 3HG GLN 9 6.483 2.991 -13.703 67 HE21 GLN 9 1HE2 GLN 9 6.236 4.522 -16.336 68 HE22 GLN 9 2HE2 GLN 9 5.221 5.860 -15.931 69 H ARG 10 H ARG 10 10.501 5.165 -11.863 70 HA ARG 10 HA ARG 10 12.038 6.093 -13.969 71 HB2 ARG 10 2HB ARG 10 12.327 6.233 -10.992 72 HB3 ARG 10 3HB ARG 10 13.623 6.839 -12.015 73 HG2 ARG 10 2HG ARG 10 12.315 8.711 -11.552 74 HG3 ARG 10 3HG ARG 10 11.826 8.226 -13.177 75 HD2 ARG 10 2HD ARG 10 9.900 7.027 -12.199 76 HD3 ARG 10 3HD ARG 10 10.374 7.614 -10.605 77 HE ARG 10 HE ARG 10 8.995 9.078 -12.643 78 HH11 ARG 10 1HH1 ARG 10 11.142 9.353 -9.917 79 HH12 ARG 10 2HH1 ARG 10 10.695 10.989 -9.563 80 HH21 ARG 10 1HH2 ARG 10 8.397 11.232 -12.188 81 HH22 ARG 10 2HH2 ARG 10 9.132 12.056 -10.855 82 H LEU 11 H LEU 11 12.877 3.674 -11.513 83 HA LEU 11 HA LEU 11 15.522 3.231 -12.322 84 HB2 LEU 11 2HB LEU 11 13.806 2.227 -10.386 85 HB3 LEU 11 3HB LEU 11 14.204 0.827 -11.379 86 HG LEU 11 HG LEU 11 16.573 1.170 -10.951 87 HD11 LEU 11 1HD1 LEU 11 15.595 3.718 -9.852 88 HD12 LEU 11 2HD1 LEU 11 17.133 3.323 -10.618 89 HD13 LEU 11 3HD1 LEU 11 16.864 2.920 -8.922 90 HD21 LEU 11 3HD2 LEU 11 16.336 1.054 -8.307 91 HD22 LEU 11 1HD2 LEU 11 15.837 -0.274 -9.356 92 HD23 LEU 11 2HD2 LEU 11 14.635 0.854 -8.729 93 H ALA 12 H ALA 12 12.490 1.746 -13.369 94 HA ALA 12 HA ALA 12 13.574 -0.264 -14.995 95 HB1 ALA 12 1HB ALA 12 10.951 1.057 -14.718 96 HB2 ALA 12 2HB ALA 12 11.260 0.252 -16.258 97 HB3 ALA 12 3HB ALA 12 11.365 -0.658 -14.751 98 H ALA 13 H ALA 13 12.568 3.051 -15.791 99 HA ALA 13 HA ALA 13 13.174 2.914 -18.540 100 HB1 ALA 13 1HB ALA 13 13.531 5.564 -17.431 101 HB2 ALA 13 2HB ALA 13 12.321 4.969 -18.568 102 HB3 ALA 13 3HB ALA 13 12.062 4.793 -16.833 103 H ILE 14 H ILE 14 15.083 3.943 -15.741 104 HA ILE 14 HA ILE 14 17.324 4.879 -17.160 105 HB ILE 14 HB ILE 14 17.193 3.703 -14.381 106 HG12 ILE 14 2HG1 ILE 14 17.467 6.620 -14.941 107 HG13 ILE 14 3HG1 ILE 14 15.883 5.884 -15.163 108 HG21 ILE 14 1HG2 ILE 14 19.278 5.580 -14.608 109 HG22 ILE 14 2HG2 ILE 14 19.406 3.843 -14.335 110 HG23 ILE 14 3HG2 ILE 14 19.433 4.481 -15.979 111 HD11 ILE 14 3HD1 ILE 14 15.548 6.201 -13.000 112 HD12 ILE 14 1HD1 ILE 14 16.752 4.949 -12.699 113 HD13 ILE 14 2HD1 ILE 14 17.235 6.645 -12.740 114 H LYS 15 H LYS 15 16.514 1.681 -15.882 115 HA LYS 15 HA LYS 15 18.982 0.452 -16.510 116 HB2 LYS 15 2HB LYS 15 16.692 -0.298 -15.172 117 HB3 LYS 15 3HB LYS 15 16.643 -1.307 -16.611 118 HG2 LYS 15 2HG LYS 15 19.247 -1.560 -15.811 119 HG3 LYS 15 3HG LYS 15 18.382 -1.450 -14.276 120 HD2 LYS 15 2HD LYS 15 16.851 -3.239 -15.082 121 HD3 LYS 15 3HD LYS 15 17.865 -3.402 -16.518 122 HE2 LYS 15 2HE LYS 15 18.453 -5.089 -14.878 123 HE3 LYS 15 3HE LYS 15 19.782 -3.948 -15.082 124 HZ1 LYS 15 3HZ LYS 15 19.597 -3.233 -12.981 125 HZ2 LYS 15 1HZ LYS 15 18.779 -4.690 -12.714 126 HZ3 LYS 15 2HZ LYS 15 17.906 -3.268 -12.989 127 H THR 16 H THR 16 15.905 0.669 -18.256 128 HA THR 16 HA THR 16 16.528 -0.976 -20.415 129 HB THR 16 HB THR 16 14.862 1.528 -20.650 130 HG1 THR 16 HG1 THR 16 14.212 -0.995 -19.502 131 HG21 THR 16 3HG2 THR 16 13.694 -0.675 -21.942 132 HG22 THR 16 1HG2 THR 16 15.408 -0.725 -22.350 133 HG23 THR 16 2HG2 THR 16 14.463 0.725 -22.690 134 H ARG 17 H ARG 17 16.757 2.585 -20.272 135 HA ARG 17 HA ARG 17 18.050 2.879 -22.749 136 HB2 ARG 17 2HB ARG 17 17.757 4.612 -20.322 137 HB3 ARG 17 3HB ARG 17 18.838 5.105 -21.619 138 HG2 ARG 17 2HG ARG 17 17.150 5.765 -22.907 139 HG3 ARG 17 3HG ARG 17 16.235 4.287 -22.605 140 HD2 ARG 17 2HD ARG 17 15.777 5.345 -20.283 141 HD3 ARG 17 3HD ARG 17 16.253 6.853 -21.063 142 HE ARG 17 HE ARG 17 14.351 5.615 -22.684 143 HH11 ARG 17 1HH1 ARG 17 14.572 7.064 -19.526 144 HH12 ARG 17 2HH1 ARG 17 12.916 7.572 -19.500 145 HH21 ARG 17 1HH2 ARG 17 12.169 6.279 -22.661 146 HH22 ARG 17 2HH2 ARG 17 11.550 7.124 -21.283 147 H CYS 18 H CYS 18 19.274 2.302 -19.512 148 HA CYS 18 HA CYS 18 22.002 2.827 -20.086 149 HB2 CYS 18 2HB CYS 18 21.377 2.866 -17.802 150 HB3 CYS 18 3HB CYS 18 20.612 1.285 -17.903 151 HG CYS 18 HG CYS 18 22.989 -0.136 -18.105 152 H GLN 19 H GLN 19 19.957 0.006 -20.397 153 HA GLN 19 HA GLN 19 22.100 -1.839 -20.838 154 HB2 GLN 19 2HB GLN 19 19.137 -2.031 -21.393 155 HB3 GLN 19 3HB GLN 19 20.267 -3.360 -21.614 156 HG2 GLN 19 2HG GLN 19 20.421 -2.133 -18.975 157 HG3 GLN 19 3HG GLN 19 18.844 -2.830 -19.342 158 HE21 GLN 19 1HE2 GLN 19 22.094 -3.444 -18.520 159 HE22 GLN 19 2HE2 GLN 19 22.009 -5.169 -18.505 160 H ALA 20 H ALA 20 19.863 -0.051 -22.918 161 HA ALA 20 HA ALA 20 20.899 -1.179 -25.342 162 HB1 ALA 20 1HB ALA 20 18.675 -0.505 -25.503 163 HB2 ALA 20 2HB ALA 20 18.989 1.047 -24.724 164 HB3 ALA 20 3HB ALA 20 19.555 0.755 -26.368 165 H LEU 21 H LEU 21 21.575 1.633 -23.389 166 HA LEU 21 HA LEU 21 23.099 3.316 -23.560 167 HB2 LEU 21 2HB LEU 21 24.502 1.072 -24.985 168 HB3 LEU 21 3HB LEU 21 25.272 2.629 -24.687 169 HG LEU 21 HG LEU 21 24.288 0.698 -22.587 170 HD11 LEU 21 1HD1 LEU 21 26.568 0.528 -24.072 171 HD12 LEU 21 2HD1 LEU 21 26.363 -0.126 -22.448 172 HD13 LEU 21 3HD1 LEU 21 27.111 1.455 -22.674 173 HD21 LEU 21 3HD2 LEU 21 24.760 3.506 -22.462 174 HD22 LEU 21 1HD2 LEU 21 26.011 2.676 -21.537 175 HD23 LEU 21 2HD2 LEU 21 24.310 2.399 -21.164 176 H GLY 22 H GLY 22 21.043 3.030 -25.694 177 HA2 GLY 22 2HA GLY 22 22.454 4.548 -27.803 178 HA3 GLY 22 3HA GLY 22 21.130 3.444 -28.146 179 H GLY 23 H GLY 23 19.924 4.543 -25.503 180 HA2 GLY 23 2HA GLY 23 18.009 6.203 -26.602 181 HA3 GLY 23 3HA GLY 23 18.431 6.181 -24.896 182 H SER 24 H SER 24 21.065 7.125 -25.067 183 HA SER 24 HA SER 24 21.421 9.435 -26.589 184 HB2 SER 24 2HB SER 24 19.757 9.775 -24.169 185 HB3 SER 24 3HB SER 24 21.060 10.947 -24.364 186 HG SER 24 HG SER 24 20.226 11.431 -26.426 187 H GLU 25 H GLU 25 23.549 9.649 -26.576 188 HA GLU 25 HA GLU 25 25.296 8.355 -24.868 189 HB2 GLU 25 2HB GLU 25 27.002 10.043 -25.698 190 HB3 GLU 25 3HB GLU 25 26.150 9.127 -26.933 191 HG2 GLU 25 2HG GLU 25 25.386 10.977 -27.871 192 HG3 GLU 25 3HG GLU 25 24.728 11.547 -26.338 193 H ALA 26 H ALA 26 23.689 11.415 -24.480 194 HA ALA 26 HA ALA 26 25.349 12.223 -22.246 195 HB1 ALA 26 1HB ALA 26 24.364 14.268 -22.400 196 HB2 ALA 26 2HB ALA 26 24.063 13.695 -24.041 197 HB3 ALA 26 3HB ALA 26 22.788 13.601 -22.826 198 H GLU 27 H GLU 27 22.207 10.771 -22.804 199 HA GLU 27 HA GLU 27 20.967 11.110 -20.373 200 HB2 GLU 27 2HB GLU 27 20.806 9.185 -22.565 201 HB3 GLU 27 3HB GLU 27 20.355 8.491 -21.014 202 HG2 GLU 27 2HG GLU 27 18.760 10.369 -20.704 203 HG3 GLU 27 3HG GLU 27 19.142 10.902 -22.340 204 H CYS 28 H CYS 28 23.624 8.991 -21.193 205 HA CYS 28 HA CYS 28 23.618 7.200 -19.104 206 HB2 CYS 28 2HB CYS 28 26.067 8.547 -20.260 207 HB3 CYS 28 3HB CYS 28 26.025 7.003 -19.418 208 HG CYS 28 HG CYS 28 23.989 6.317 -21.639 209 H ALA 29 H ALA 29 24.931 10.493 -19.142 210 HA ALA 29 HA ALA 29 26.053 10.501 -16.583 211 HB1 ALA 29 1HB ALA 29 26.705 12.474 -17.361 212 HB2 ALA 29 2HB ALA 29 25.483 12.425 -18.632 213 HB3 ALA 29 3HB ALA 29 25.083 13.091 -17.049 214 H ALA 30 H ALA 30 22.821 11.572 -17.632 215 HA ALA 30 HA ALA 30 21.837 12.369 -15.160 216 HB1 ALA 30 1HB ALA 30 19.911 12.693 -16.257 217 HB2 ALA 30 2HB ALA 30 20.831 12.243 -17.693 218 HB3 ALA 30 3HB ALA 30 19.860 11.034 -16.853 219 H PHE 31 H PHE 31 22.000 9.156 -16.598 220 HA PHE 31 HA PHE 31 20.406 7.829 -14.685 221 HB2 PHE 31 2HB PHE 31 22.620 6.786 -16.461 222 HB3 PHE 31 3HB PHE 31 21.540 5.765 -15.518 223 HD1 PHE 31 HD1 PHE 31 19.010 7.366 -15.950 224 HD2 PHE 31 HD2 PHE 31 22.053 6.067 -18.628 225 HE1 PHE 31 HE1 PHE 31 17.385 7.380 -17.798 226 HE2 PHE 31 HE2 PHE 31 20.433 6.079 -20.480 227 HZ PHE 31 HZ PHE 31 18.096 6.737 -20.067 228 H GLU 32 H GLU 32 23.930 8.220 -14.951 229 HA GLU 32 HA GLU 32 24.676 6.756 -12.711 230 HB2 GLU 32 2HB GLU 32 25.898 8.757 -14.440 231 HB3 GLU 32 3HB GLU 32 26.479 8.864 -12.784 232 HG2 GLU 32 2HG GLU 32 26.775 6.286 -13.020 233 HG3 GLU 32 3HG GLU 32 26.751 6.639 -14.746 234 H LYS 33 H LYS 33 23.977 10.237 -12.948 235 HA LYS 33 HA LYS 33 24.330 10.764 -10.189 236 HB2 LYS 33 2HB LYS 33 23.583 12.232 -12.553 237 HB3 LYS 33 3HB LYS 33 22.517 12.657 -11.221 238 HG2 LYS 33 2HG LYS 33 24.088 14.077 -10.566 239 HG3 LYS 33 3HG LYS 33 25.042 12.672 -10.088 240 HD2 LYS 33 2HD LYS 33 26.440 12.855 -11.857 241 HD3 LYS 33 3HD LYS 33 25.160 13.398 -12.945 242 HE2 LYS 33 2HE LYS 33 25.597 15.564 -12.560 243 HE3 LYS 33 3HE LYS 33 25.804 15.309 -10.827 244 HZ1 LYS 33 3HZ LYS 33 28.008 14.159 -11.728 245 HZ2 LYS 33 1HZ LYS 33 27.928 15.805 -11.345 246 HZ3 LYS 33 2HZ LYS 33 27.790 15.304 -12.954 247 H GLU 34 H GLU 34 21.357 10.462 -12.139 248 HA GLU 34 HA GLU 34 19.490 10.710 -10.131 249 HB2 GLU 34 2HB GLU 34 19.483 9.092 -12.667 250 HB3 GLU 34 3HB GLU 34 18.094 9.109 -11.590 251 HG2 GLU 34 2HG GLU 34 19.289 11.649 -12.628 252 HG3 GLU 34 3HG GLU 34 18.116 10.728 -13.568 253 H ILE 35 H ILE 35 21.088 7.732 -11.235 254 HA ILE 35 HA ILE 35 19.801 5.982 -9.455 255 HB ILE 35 HB ILE 35 22.480 5.796 -10.824 256 HG12 ILE 35 2HG1 ILE 35 20.383 5.740 -12.202 257 HG13 ILE 35 3HG1 ILE 35 21.366 4.285 -12.325 258 HG21 ILE 35 1HG2 ILE 35 21.080 3.774 -9.087 259 HG22 ILE 35 2HG2 ILE 35 22.368 3.362 -10.219 260 HG23 ILE 35 3HG2 ILE 35 22.694 4.453 -8.873 261 HD11 ILE 35 3HD1 ILE 35 18.968 3.804 -12.174 262 HD12 ILE 35 1HD1 ILE 35 19.877 3.115 -10.829 263 HD13 ILE 35 2HD1 ILE 35 18.925 4.581 -10.592 264 H ALA 36 H ALA 36 22.828 7.800 -9.169 265 HA ALA 36 HA ALA 36 23.768 6.748 -6.778 266 HB1 ALA 36 1HB ALA 36 24.824 8.471 -8.406 267 HB2 ALA 36 2HB ALA 36 24.048 9.666 -7.365 268 HB3 ALA 36 3HB ALA 36 25.226 8.540 -6.689 269 H ALA 37 H ALA 37 21.593 9.518 -7.280 270 HA ALA 37 HA ALA 37 21.235 10.038 -4.505 271 HB1 ALA 37 1HB ALA 37 20.056 11.022 -7.033 272 HB2 ALA 37 2HB ALA 37 19.091 11.222 -5.570 273 HB3 ALA 37 3HB ALA 37 20.710 11.915 -5.660 274 H PHE 38 H PHE 38 19.598 8.020 -6.850 275 HA PHE 38 HA PHE 38 17.225 7.545 -5.421 276 HB2 PHE 38 2HB PHE 38 18.539 6.486 -7.773 277 HB3 PHE 38 3HB PHE 38 17.789 5.196 -6.838 278 HD1 PHE 38 HD2 PHE 38 16.748 8.720 -7.454 279 HD2 PHE 38 HD1 PHE 38 15.851 4.585 -7.919 280 HE1 PHE 38 HE2 PHE 38 14.559 9.306 -8.411 281 HE2 PHE 38 HE1 PHE 38 13.661 5.165 -8.878 282 HZ PHE 38 HZ PHE 38 13.012 7.528 -9.124 283 H GLU 39 H GLU 39 20.152 5.520 -5.666 284 HA GLU 39 HA GLU 39 19.331 3.672 -3.691 285 HB2 GLU 39 2HB GLU 39 21.567 2.798 -3.798 286 HB3 GLU 39 3HB GLU 39 21.064 3.229 -5.426 287 HG2 GLU 39 2HG GLU 39 23.191 4.060 -5.386 288 HG3 GLU 39 3HG GLU 39 22.267 5.479 -4.900 289 H SER 40 H SER 40 21.182 6.655 -3.568 290 HA SER 40 HA SER 40 22.082 6.367 -0.890 291 HB2 SER 40 2HB SER 40 23.293 7.902 -2.218 292 HB3 SER 40 3HB SER 40 21.828 8.727 -2.748 293 HG SER 40 HG SER 40 23.367 9.375 -0.732 294 H GLU 41 H GLU 41 19.171 7.630 -2.356 295 HA GLU 41 HA GLU 41 18.217 8.810 0.104 296 HB2 GLU 41 2HB GLU 41 17.093 8.505 -2.663 297 HB3 GLU 41 3HB GLU 41 16.060 9.003 -1.331 298 HG2 GLU 41 2HG GLU 41 18.551 10.510 -1.502 299 HG3 GLU 41 3HG GLU 41 17.523 10.669 -2.925 300 H LEU 42 H LEU 42 17.862 5.822 -1.648 301 HA LEU 42 HA LEU 42 15.579 4.923 -0.142 302 HB2 LEU 42 2HB LEU 42 17.447 3.545 -2.058 303 HB3 LEU 42 3HB LEU 42 16.108 2.725 -1.258 304 HG LEU 42 HG LEU 42 15.545 5.178 -2.859 305 HD11 LEU 42 1HD1 LEU 42 15.166 2.984 -4.560 306 HD12 LEU 42 2HD1 LEU 42 16.803 2.829 -3.922 307 HD13 LEU 42 3HD1 LEU 42 16.315 4.309 -4.747 308 HD21 LEU 42 3HD2 LEU 42 13.432 4.086 -3.218 309 HD22 LEU 42 1HD2 LEU 42 13.808 4.051 -1.495 310 HD23 LEU 42 2HD2 LEU 42 14.027 2.601 -2.474 311 H GLN 43 H GLN 43 19.047 4.661 0.079 312 HA GLN 43 HA GLN 43 19.088 2.497 1.938 313 HB2 GLN 43 2HB GLN 43 21.417 2.882 2.113 314 HB3 GLN 43 3HB GLN 43 20.999 3.239 0.442 315 HG2 GLN 43 2HG GLN 43 22.060 5.164 0.701 316 HG3 GLN 43 3HG GLN 43 20.721 5.669 1.731 317 HE21 GLN 43 1HE2 GLN 43 23.951 4.345 1.673 318 HE22 GLN 43 2HE2 GLN 43 24.343 4.712 3.315 319 H ALA 44 H ALA 44 18.526 5.877 2.188 320 HA ALA 44 HA ALA 44 19.280 6.180 4.929 321 HB1 ALA 44 1HB ALA 44 17.281 7.973 3.633 322 HB2 ALA 44 2HB ALA 44 18.600 8.366 4.737 323 HB3 ALA 44 3HB ALA 44 18.947 7.975 3.053 324 H TYR 45 H TYR 45 16.473 5.024 3.278 325 HA TYR 45 HA TYR 45 14.525 5.482 5.254 326 HB2 TYR 45 2HB TYR 45 14.764 3.441 3.050 327 HB3 TYR 45 3HB TYR 45 13.381 3.471 4.139 328 HD1 TYR 45 HD2 TYR 45 12.806 6.289 4.463 329 HD2 TYR 45 HD1 TYR 45 14.049 4.186 0.979 330 HE1 TYR 45 HE2 TYR 45 11.732 7.996 3.057 331 HE2 TYR 45 HE1 TYR 45 12.979 5.889 -0.437 332 HH TYR 45 HH TYR 45 11.659 7.690 -0.473 333 H LYS 46 H LYS 46 16.099 2.375 4.476 334 HA LYS 46 HA LYS 46 16.480 0.520 5.747 335 HB2 LYS 46 2HB LYS 46 18.150 2.216 6.631 336 HB3 LYS 46 3HB LYS 46 17.042 2.483 7.970 337 HG2 LYS 46 2HG LYS 46 17.290 -0.235 7.974 338 HG3 LYS 46 3HG LYS 46 18.901 0.287 7.476 339 HD2 LYS 46 2HD LYS 46 19.178 1.597 9.433 340 HD3 LYS 46 3HD LYS 46 17.472 1.446 9.859 341 HE2 LYS 46 2HE LYS 46 19.150 -1.011 9.612 342 HE3 LYS 46 3HE LYS 46 19.282 -0.015 11.061 343 HZ1 LYS 46 3HZ LYS 46 16.637 -0.235 10.835 344 HZ2 LYS 46 1HZ LYS 46 17.588 -1.297 11.746 345 HZ3 LYS 46 2HZ LYS 46 17.111 -1.721 10.180 346 H GLY 47 H GLY 47 13.973 0.446 5.573 347 HA2 GLY 47 2HA GLY 47 12.467 0.960 7.943 348 HA3 GLY 47 3HA GLY 47 11.932 0.024 6.555 349 H LYS 48 H LYS 48 12.351 -0.192 9.742 350 HA LYS 48 HA LYS 48 13.824 -2.451 10.305 351 HB2 LYS 48 2HB LYS 48 11.921 -0.854 11.649 352 HB3 LYS 48 3HB LYS 48 11.387 -2.520 11.828 353 HG2 LYS 48 2HG LYS 48 14.016 -2.781 12.388 354 HG3 LYS 48 3HG LYS 48 13.714 -1.144 12.975 355 HD2 LYS 48 2HD LYS 48 12.000 -1.902 14.443 356 HD3 LYS 48 3HD LYS 48 11.998 -3.508 13.712 357 HE2 LYS 48 2HE LYS 48 14.594 -3.274 14.476 358 HE3 LYS 48 3HE LYS 48 13.783 -2.349 15.738 359 HZ1 LYS 48 3HZ LYS 48 12.786 -5.018 14.992 360 HZ2 LYS 48 1HZ LYS 48 12.614 -4.185 16.455 361 HZ3 LYS 48 2HZ LYS 48 14.104 -4.870 16.042 362 H GLY 49 H GLY 49 10.650 -2.207 8.844 363 HA2 GLY 49 2HA GLY 49 10.677 -5.140 8.494 364 HA3 GLY 49 3HA GLY 49 9.199 -4.267 8.872 365 H ASN 50 H ASN 50 11.339 -2.603 6.807 366 HA ASN 50 HA ASN 50 9.662 -3.325 4.495 367 HB2 ASN 50 2HB ASN 50 11.209 -0.752 4.775 368 HB3 ASN 50 3HB ASN 50 9.888 -1.114 3.669 369 HD21 ASN 50 1HD2 ASN 50 7.825 -0.821 4.316 370 HD22 ASN 50 2HD2 ASN 50 7.374 -0.200 5.864 371 HA PRO 51 HA PRO 51 13.958 -4.788 3.550 372 HB2 PRO 51 2HB PRO 51 13.160 -7.135 2.445 373 HB3 PRO 51 3HB PRO 51 13.431 -6.933 4.180 374 HG2 PRO 51 2HG PRO 51 10.860 -6.891 2.647 375 HG3 PRO 51 3HG PRO 51 11.225 -7.670 4.198 376 HD2 PRO 51 2HD PRO 51 9.921 -5.303 4.028 377 HD3 PRO 51 3HD PRO 51 10.997 -5.706 5.382 378 H GLU 52 H GLU 52 11.074 -4.165 1.799 379 HA GLU 52 HA GLU 52 11.677 -4.816 -0.802 380 HB2 GLU 52 2HB GLU 52 10.257 -2.883 -1.459 381 HB3 GLU 52 3HB GLU 52 9.526 -3.898 -0.223 382 HG2 GLU 52 2HG GLU 52 10.799 -2.062 1.306 383 HG3 GLU 52 3HG GLU 52 10.379 -1.097 -0.107 384 H VAL 53 H VAL 53 12.844 -2.092 1.095 385 HA VAL 53 HA VAL 53 13.984 -0.511 -0.855 386 HB VAL 53 HB VAL 53 15.193 -1.101 1.850 387 HG11 VAL 53 1HG1 VAL 53 16.261 1.041 1.663 388 HG12 VAL 53 2HG1 VAL 53 16.658 0.090 0.230 389 HG13 VAL 53 3HG1 VAL 53 15.442 1.365 0.135 390 HG21 VAL 53 3HG2 VAL 53 12.751 0.260 1.084 391 HG22 VAL 53 1HG2 VAL 53 13.325 -0.215 2.683 392 HG23 VAL 53 2HG2 VAL 53 13.844 1.316 1.978 393 H GLU 54 H GLU 54 15.063 -3.586 0.379 394 HA GLU 54 HA GLU 54 17.735 -3.516 -0.474 395 HB2 GLU 54 2HB GLU 54 17.804 -5.800 -0.033 396 HB3 GLU 54 3HB GLU 54 16.506 -5.243 1.014 397 HG2 GLU 54 2HG GLU 54 14.945 -5.890 -0.918 398 HG3 GLU 54 3HG GLU 54 16.325 -6.795 -1.537 399 H ALA 55 H ALA 55 14.758 -4.298 -2.167 400 HA ALA 55 HA ALA 55 15.960 -5.365 -4.501 401 HB1 ALA 55 1HB ALA 55 13.541 -4.329 -5.324 402 HB2 ALA 55 2HB ALA 55 13.818 -5.953 -4.693 403 HB3 ALA 55 3HB ALA 55 13.284 -4.665 -3.612 404 H LEU 56 H LEU 56 14.502 -2.167 -3.881 405 HA LEU 56 HA LEU 56 15.161 -0.995 -6.318 406 HB2 LEU 56 2HB LEU 56 14.151 -0.152 -3.776 407 HB3 LEU 56 3HB LEU 56 15.353 1.006 -4.340 408 HG LEU 56 HG LEU 56 14.095 1.460 -6.318 409 HD11 LEU 56 1HD1 LEU 56 11.684 0.109 -6.067 410 HD12 LEU 56 2HD1 LEU 56 12.913 -1.114 -5.743 411 HD13 LEU 56 3HD1 LEU 56 12.954 -0.202 -7.252 412 HD21 LEU 56 3HD2 LEU 56 12.707 1.543 -3.701 413 HD22 LEU 56 1HD2 LEU 56 11.750 1.902 -5.138 414 HD23 LEU 56 2HD2 LEU 56 13.188 2.858 -4.775 415 H ARG 57 H ARG 57 17.016 -1.180 -3.310 416 HA ARG 57 HA ARG 57 19.156 0.461 -4.121 417 HB2 ARG 57 2HB ARG 57 18.610 -0.334 -1.768 418 HB3 ARG 57 3HB ARG 57 19.369 -1.858 -2.206 419 HG2 ARG 57 2HG ARG 57 21.152 -0.833 -1.258 420 HG3 ARG 57 3HG ARG 57 21.346 -0.240 -2.909 421 HD2 ARG 57 2HD ARG 57 20.041 1.784 -2.255 422 HD3 ARG 57 3HD ARG 57 20.068 1.201 -0.591 423 HE ARG 57 HE ARG 57 22.175 2.526 -1.967 424 HH11 ARG 57 1HH1 ARG 57 21.522 0.080 0.423 425 HH12 ARG 57 2HH1 ARG 57 23.036 0.288 1.239 426 HH21 ARG 57 1HH2 ARG 57 24.171 2.809 -0.901 427 HH22 ARG 57 2HH2 ARG 57 24.542 1.841 0.485 428 H LYS 58 H LYS 58 18.652 -3.039 -4.328 429 HA LYS 58 HA LYS 58 21.170 -3.740 -5.327 430 HB2 LYS 58 2HB LYS 58 18.474 -4.978 -5.301 431 HB3 LYS 58 3HB LYS 58 19.617 -5.608 -6.480 432 HG2 LYS 58 2HG LYS 58 21.236 -5.816 -4.500 433 HG3 LYS 58 3HG LYS 58 19.800 -5.621 -3.491 434 HD2 LYS 58 2HD LYS 58 19.353 -7.783 -3.748 435 HD3 LYS 58 3HD LYS 58 19.169 -7.524 -5.484 436 HE2 LYS 58 2HE LYS 58 20.864 -8.999 -5.626 437 HE3 LYS 58 3HE LYS 58 21.861 -7.587 -5.279 438 HZ1 LYS 58 3HZ LYS 58 21.651 -8.196 -2.882 439 HZ2 LYS 58 1HZ LYS 58 22.526 -9.305 -3.815 440 HZ3 LYS 58 2HZ LYS 58 20.933 -9.651 -3.363 441 H GLU 59 H GLU 59 18.142 -3.207 -7.140 442 HA GLU 59 HA GLU 59 19.173 -3.455 -9.698 443 HB2 GLU 59 2HB GLU 59 16.855 -1.942 -8.555 444 HB3 GLU 59 3HB GLU 59 17.273 -1.734 -10.249 445 HG2 GLU 59 2HG GLU 59 17.207 -4.324 -10.320 446 HG3 GLU 59 3HG GLU 59 16.270 -4.161 -8.835 447 H ALA 60 H ALA 60 18.763 -0.465 -7.805 448 HA ALA 60 HA ALA 60 19.784 1.358 -9.599 449 HB1 ALA 60 1HB ALA 60 20.589 1.735 -6.779 450 HB2 ALA 60 2HB ALA 60 19.773 2.839 -7.886 451 HB3 ALA 60 3HB ALA 60 18.864 1.551 -7.096 452 H ALA 61 H ALA 61 21.616 -0.404 -7.098 453 HA ALA 61 HA ALA 61 24.142 0.574 -7.674 454 HB1 ALA 61 1HB ALA 61 23.987 -2.288 -6.962 455 HB2 ALA 61 2HB ALA 61 24.908 -0.979 -6.220 456 HB3 ALA 61 3HB ALA 61 23.190 -1.159 -5.865 457 H ALA 62 H ALA 62 22.447 -2.192 -9.106 458 HA ALA 62 HA ALA 62 24.519 -3.148 -10.715 459 HB1 ALA 62 1HB ALA 62 22.101 -4.063 -10.208 460 HB2 ALA 62 2HB ALA 62 21.726 -3.260 -11.733 461 HB3 ALA 62 3HB ALA 62 22.962 -4.517 -11.679 462 H ILE 63 H ILE 63 21.973 -0.781 -11.463 463 HA ILE 63 HA ILE 63 22.681 -0.304 -14.125 464 HB ILE 63 HB ILE 63 21.476 1.667 -12.179 465 HG12 ILE 63 2HG1 ILE 63 20.035 -0.133 -14.129 466 HG13 ILE 63 3HG1 ILE 63 20.290 -0.563 -12.441 467 HG21 ILE 63 1HG2 ILE 63 21.726 3.089 -13.882 468 HG22 ILE 63 2HG2 ILE 63 22.137 1.798 -15.010 469 HG23 ILE 63 3HG2 ILE 63 20.446 2.172 -14.677 470 HD11 ILE 63 3HD1 ILE 63 18.876 1.116 -11.677 471 HD12 ILE 63 1HD1 ILE 63 18.948 2.000 -13.201 472 HD13 ILE 63 2HD1 ILE 63 18.055 0.482 -13.104 473 H ARG 64 H ARG 64 23.752 1.289 -11.142 474 HA ARG 64 HA ARG 64 25.315 3.291 -12.308 475 HB2 ARG 64 2HB ARG 64 24.761 3.367 -9.960 476 HB3 ARG 64 3HB ARG 64 25.621 1.862 -9.664 477 HG2 ARG 64 2HG ARG 64 26.989 3.632 -8.879 478 HG3 ARG 64 3HG ARG 64 27.722 3.022 -10.363 479 HD2 ARG 64 2HD ARG 64 26.638 4.865 -11.607 480 HD3 ARG 64 3HD ARG 64 26.015 5.492 -10.082 481 HE ARG 64 HE ARG 64 28.877 5.156 -10.152 482 HH11 ARG 64 1HH1 ARG 64 26.204 7.293 -10.789 483 HH12 ARG 64 2HH1 ARG 64 27.159 8.734 -10.675 484 HH21 ARG 64 1HH2 ARG 64 30.146 7.045 -10.000 485 HH22 ARG 64 2HH2 ARG 64 29.401 8.592 -10.227 486 H ASP 65 H ASP 65 26.209 0.019 -11.253 487 HA ASP 65 HA ASP 65 28.935 0.159 -11.853 488 HB2 ASP 65 2HB ASP 65 27.053 -2.208 -11.870 489 HB3 ASP 65 3HB ASP 65 28.805 -2.341 -11.998 490 H GLU 66 H GLU 66 26.192 -0.845 -13.864 491 HA GLU 66 HA GLU 66 27.638 -1.651 -16.116 492 HB2 GLU 66 2HB GLU 66 24.902 -0.367 -16.069 493 HB3 GLU 66 3HB GLU 66 25.565 -1.358 -17.361 494 HG2 GLU 66 2HG GLU 66 25.143 -3.287 -16.286 495 HG3 GLU 66 3HG GLU 66 25.509 -2.610 -14.700 496 H CYS 67 H CYS 67 26.216 1.516 -15.346 497 HA CYS 67 HA CYS 67 26.982 2.848 -17.674 498 HB2 CYS 67 2HB CYS 67 26.565 3.878 -14.864 499 HB3 CYS 67 3HB CYS 67 26.827 4.928 -16.251 500 HG CYS 67 HG CYS 67 24.175 5.134 -15.992 501 H GLN 68 H GLN 68 28.718 2.372 -14.630 502 HA GLN 68 HA GLN 68 30.958 3.973 -15.379 503 HB2 GLN 68 2HB GLN 68 30.619 1.882 -13.226 504 HB3 GLN 68 3HB GLN 68 32.057 2.876 -13.412 505 HG2 GLN 68 2HG GLN 68 30.352 4.849 -13.281 506 HG3 GLN 68 3HG GLN 68 29.328 3.642 -12.506 507 HE21 GLN 68 1HE2 GLN 68 31.538 6.006 -11.959 508 HE22 GLN 68 2HE2 GLN 68 32.105 5.521 -10.402 509 H ALA 69 H ALA 69 29.986 0.738 -16.012 510 HA ALA 69 HA ALA 69 32.668 -0.143 -16.715 511 HB1 ALA 69 1HB ALA 69 31.479 -1.861 -15.701 512 HB2 ALA 69 2HB ALA 69 29.996 -1.488 -16.582 513 HB3 ALA 69 3HB ALA 69 31.351 -2.245 -17.418 514 H TYR 70 H TYR 70 30.339 1.672 -18.174 515 HA TYR 70 HA TYR 70 30.853 0.612 -20.861 516 HB2 TYR 70 2HB TYR 70 28.826 2.639 -19.896 517 HB3 TYR 70 3HB TYR 70 29.009 2.119 -21.567 518 HD1 TYR 70 HD1 TYR 70 29.574 -0.840 -20.820 519 HD2 TYR 70 HD2 TYR 70 26.542 1.921 -19.686 520 HE1 TYR 70 HE1 TYR 70 28.032 -2.712 -20.409 521 HE2 TYR 70 HE2 TYR 70 24.992 0.057 -19.270 522 HH TYR 70 HH TYR 70 25.555 -3.075 -20.341 523 H ARG 71 H ARG 71 31.164 3.518 -18.891 524 HA ARG 71 HA ARG 71 32.830 4.703 -21.014 525 HB2 ARG 71 2HB ARG 71 32.234 6.902 -20.121 526 HB3 ARG 71 3HB ARG 71 30.797 6.003 -20.591 527 HG2 ARG 71 2HG ARG 71 31.176 5.369 -17.912 528 HG3 ARG 71 3HG ARG 71 31.531 7.094 -18.026 529 HD2 ARG 71 2HD ARG 71 29.312 7.001 -19.524 530 HD3 ARG 71 3HD ARG 71 28.991 5.639 -18.451 531 HE ARG 71 HE ARG 71 28.549 7.138 -16.797 532 HH11 ARG 71 1HH1 ARG 71 30.558 8.691 -19.179 533 HH12 ARG 71 2HH1 ARG 71 30.502 10.240 -18.406 534 HH21 ARG 71 1HH2 ARG 71 28.468 9.173 -15.770 535 HH22 ARG 71 2HH2 ARG 71 29.314 10.513 -16.467 536 H HIS 72 H HIS 72 32.516 4.005 -17.595 537 HA HIS 72 HA HIS 72 35.149 5.137 -17.037 538 HB2 HIS 72 2HB HIS 72 32.810 4.938 -15.539 539 HB3 HIS 72 3HB HIS 72 33.884 3.741 -14.821 540 HD1 HIS 72 HD1 HIS 72 34.495 4.957 -12.708 541 HD2 HIS 72 HD2 HIS 72 35.095 7.261 -16.112 542 HE1 HIS 72 HE1 HIS 72 35.716 7.010 -11.923 543 H ASN 73 H ASN 73 34.930 2.818 -18.748 544 HA ASN 73 HA ASN 73 36.928 1.193 -17.539 545 HB2 ASN 73 2HB ASN 73 34.731 0.379 -16.488 546 HB3 ASN 73 3HB ASN 73 34.345 -0.261 -18.083 547 HD21 ASN 73 1HD2 ASN 73 36.767 -0.345 -15.523 548 HD22 ASN 73 2HD2 ASN 73 37.293 -1.962 -15.828 Start of MODEL 12 1 H1 MET 1 H MET 1 0.287 1.271 -1.135 2 HA MET 1 HA MET 1 2.578 -0.241 -2.205 3 HB2 MET 1 2HB MET 1 0.287 0.352 -3.525 4 HB3 MET 1 3HB MET 1 1.259 1.759 -3.935 5 HG2 MET 1 2HG MET 1 1.926 0.452 -5.633 6 HG3 MET 1 3HG MET 1 3.048 -0.171 -4.425 7 HE1 MET 1 3HE MET 1 -0.306 -2.358 -6.532 8 HE2 MET 1 1HE MET 1 -0.281 -0.612 -6.278 9 HE3 MET 1 2HE MET 1 0.985 -1.382 -7.235 10 H GLY 2 H GLY 2 1.384 2.899 -1.224 11 HA2 GLY 2 2HA GLY 2 2.454 4.891 -0.833 12 HA3 GLY 2 3HA GLY 2 3.890 3.917 -0.554 13 H SER 3 H SER 3 5.397 5.160 -1.553 14 HA SER 3 HA SER 3 4.912 5.998 -4.316 15 HB2 SER 3 2HB SER 3 6.650 7.568 -4.048 16 HB3 SER 3 3HB SER 3 5.824 7.572 -2.491 17 HG SER 3 HG SER 3 8.028 7.434 -2.133 18 H TRP 4 H TRP 4 5.462 3.207 -3.511 19 HA TRP 4 HA TRP 4 8.136 2.586 -4.320 20 HB2 TRP 4 2HB TRP 4 7.059 1.061 -2.825 21 HB3 TRP 4 3HB TRP 4 5.676 0.886 -3.902 22 HD1 TRP 4 HD1 TRP 4 6.086 -0.571 -6.174 23 HE1 TRP 4 HE1 TRP 4 7.730 -2.495 -6.642 24 HE3 TRP 4 HE3 TRP 4 9.332 0.174 -2.295 25 HZ2 TRP 4 HZ2 TRP 4 10.090 -3.557 -5.515 26 HZ3 TRP 4 HZ3 TRP 4 11.257 -1.341 -2.061 27 HH2 TRP 4 HH2 TRP 4 11.626 -3.167 -3.639 28 H ALA 5 H ALA 5 4.947 2.321 -5.863 29 HA ALA 5 HA ALA 5 5.652 1.126 -8.242 30 HB1 ALA 5 1HB ALA 5 3.367 1.432 -7.878 31 HB2 ALA 5 2HB ALA 5 3.550 3.162 -7.585 32 HB3 ALA 5 3HB ALA 5 3.733 2.520 -9.217 33 H GLU 6 H GLU 6 5.659 4.608 -7.499 34 HA GLU 6 HA GLU 6 6.513 5.530 -9.984 35 HB2 GLU 6 2HB GLU 6 6.877 6.622 -7.201 36 HB3 GLU 6 3HB GLU 6 7.472 7.475 -8.618 37 HG2 GLU 6 2HG GLU 6 5.222 7.604 -9.515 38 HG3 GLU 6 3HG GLU 6 4.606 6.694 -8.137 39 H PHE 7 H PHE 7 8.458 4.704 -7.120 40 HA PHE 7 HA PHE 7 10.967 5.253 -8.214 41 HB2 PHE 7 2HB PHE 7 9.950 4.107 -5.823 42 HB3 PHE 7 3HB PHE 7 11.171 3.006 -6.454 43 HD1 PHE 7 HD2 PHE 7 10.857 6.724 -6.329 44 HD2 PHE 7 HD1 PHE 7 13.166 3.281 -5.367 45 HE1 PHE 7 HE2 PHE 7 12.625 8.170 -5.415 46 HE2 PHE 7 HE1 PHE 7 14.938 4.721 -4.451 47 HZ PHE 7 HZ PHE 7 14.670 7.169 -4.475 48 H LYS 8 H LYS 8 9.007 2.319 -8.315 49 HA LYS 8 HA LYS 8 10.940 0.649 -9.513 50 HB2 LYS 8 2HB LYS 8 8.765 -0.041 -8.381 51 HB3 LYS 8 3HB LYS 8 7.956 0.404 -9.878 52 HG2 LYS 8 2HG LYS 8 8.515 -1.511 -10.848 53 HG3 LYS 8 3HG LYS 8 10.206 -1.342 -10.371 54 HD2 LYS 8 2HD LYS 8 9.771 -3.153 -9.104 55 HD3 LYS 8 3HD LYS 8 9.072 -1.971 -7.994 56 HE2 LYS 8 2HE LYS 8 6.874 -2.394 -8.806 57 HE3 LYS 8 3HE LYS 8 7.489 -3.352 -10.152 58 HZ1 LYS 8 3HZ LYS 8 6.558 -4.501 -8.025 59 HZ2 LYS 8 1HZ LYS 8 8.107 -4.202 -7.412 60 HZ3 LYS 8 2HZ LYS 8 7.916 -5.135 -8.810 61 H GLN 9 H GLN 9 8.388 2.693 -10.879 62 HA GLN 9 HA GLN 9 8.727 1.948 -13.564 63 HB2 GLN 9 2HB GLN 9 7.225 3.891 -12.092 64 HB3 GLN 9 3HB GLN 9 7.971 4.679 -13.477 65 HG2 GLN 9 2HG GLN 9 7.004 2.918 -14.931 66 HG3 GLN 9 3HG GLN 9 6.161 2.277 -13.521 67 HE21 GLN 9 1HE2 GLN 9 5.231 4.418 -12.249 68 HE22 GLN 9 2HE2 GLN 9 4.148 5.322 -13.247 69 H ARG 10 H ARG 10 9.920 4.879 -11.911 70 HA ARG 10 HA ARG 10 11.476 5.878 -13.965 71 HB2 ARG 10 2HB ARG 10 12.009 6.022 -10.992 72 HB3 ARG 10 3HB ARG 10 12.771 7.042 -12.205 73 HG2 ARG 10 2HG ARG 10 11.008 8.403 -12.332 74 HG3 ARG 10 3HG ARG 10 9.857 7.065 -12.329 75 HD2 ARG 10 2HD ARG 10 9.389 7.424 -10.188 76 HD3 ARG 10 3HD ARG 10 11.091 7.263 -9.757 77 HE ARG 10 HE ARG 10 9.600 9.681 -9.956 78 HH11 ARG 10 1HH1 ARG 10 12.768 8.309 -10.409 79 HH12 ARG 10 2HH1 ARG 10 13.597 9.807 -10.142 80 HH21 ARG 10 1HH2 ARG 10 10.680 11.659 -9.604 81 HH22 ARG 10 2HH2 ARG 10 12.409 11.711 -9.684 82 H LEU 11 H LEU 11 12.394 3.579 -11.422 83 HA LEU 11 HA LEU 11 15.095 3.321 -12.116 84 HB2 LEU 11 2HB LEU 11 13.130 1.729 -10.580 85 HB3 LEU 11 3HB LEU 11 14.580 0.888 -11.124 86 HG LEU 11 HG LEU 11 15.003 3.466 -9.740 87 HD11 LEU 11 1HD1 LEU 11 13.825 2.985 -7.925 88 HD12 LEU 11 2HD1 LEU 11 14.850 1.570 -7.686 89 HD13 LEU 11 3HD1 LEU 11 13.344 1.424 -8.592 90 HD21 LEU 11 3HD2 LEU 11 16.293 0.748 -9.757 91 HD22 LEU 11 1HD2 LEU 11 16.788 2.042 -8.665 92 HD23 LEU 11 2HD2 LEU 11 16.925 2.259 -10.410 93 H ALA 12 H ALA 12 12.230 1.580 -13.243 94 HA ALA 12 HA ALA 12 13.548 -0.357 -14.791 95 HB1 ALA 12 1HB ALA 12 11.190 -0.526 -14.181 96 HB2 ALA 12 2HB ALA 12 10.817 0.849 -15.221 97 HB3 ALA 12 3HB ALA 12 11.408 -0.655 -15.927 98 H ALA 13 H ALA 13 12.307 2.857 -15.646 99 HA ALA 13 HA ALA 13 12.947 2.741 -18.386 100 HB1 ALA 13 1HB ALA 13 11.688 4.569 -18.248 101 HB2 ALA 13 2HB ALA 13 11.984 4.723 -16.515 102 HB3 ALA 13 3HB ALA 13 13.121 5.419 -17.669 103 H ILE 14 H ILE 14 14.767 3.894 -15.579 104 HA ILE 14 HA ILE 14 16.955 4.964 -16.988 105 HB ILE 14 HB ILE 14 16.915 3.785 -14.208 106 HG12 ILE 14 2HG1 ILE 14 16.899 6.716 -14.737 107 HG13 ILE 14 3HG1 ILE 14 15.396 5.835 -14.990 108 HG21 ILE 14 1HG2 ILE 14 18.916 5.071 -13.798 109 HG22 ILE 14 2HG2 ILE 14 19.174 4.006 -15.178 110 HG23 ILE 14 3HG2 ILE 14 18.869 5.724 -15.435 111 HD11 ILE 14 3HD1 ILE 14 15.005 6.084 -12.829 112 HD12 ILE 14 1HD1 ILE 14 16.324 4.954 -12.527 113 HD13 ILE 14 2HD1 ILE 14 16.636 6.690 -12.540 114 H LYS 15 H LYS 15 16.353 1.735 -15.667 115 HA LYS 15 HA LYS 15 18.899 0.670 -16.311 116 HB2 LYS 15 2HB LYS 15 16.756 -0.202 -14.858 117 HB3 LYS 15 3HB LYS 15 16.638 -1.215 -16.291 118 HG2 LYS 15 2HG LYS 15 18.563 -2.335 -15.832 119 HG3 LYS 15 3HG LYS 15 19.295 -0.961 -14.999 120 HD2 LYS 15 2HD LYS 15 18.866 -2.311 -13.206 121 HD3 LYS 15 3HD LYS 15 17.341 -1.425 -13.277 122 HE2 LYS 15 2HE LYS 15 16.396 -3.457 -13.288 123 HE3 LYS 15 3HE LYS 15 16.862 -3.492 -14.987 124 HZ1 LYS 15 3HZ LYS 15 18.123 -4.824 -12.691 125 HZ2 LYS 15 1HZ LYS 15 19.070 -4.424 -14.035 126 HZ3 LYS 15 2HZ LYS 15 17.738 -5.450 -14.215 127 H THR 16 H THR 16 15.797 0.718 -18.007 128 HA THR 16 HA THR 16 16.471 -0.970 -20.135 129 HB THR 16 HB THR 16 14.605 1.408 -20.246 130 HG1 THR 16 HG1 THR 16 13.342 0.259 -19.008 131 HG21 THR 16 3HG2 THR 16 15.142 0.490 -22.444 132 HG22 THR 16 1HG2 THR 16 13.475 0.120 -22.006 133 HG23 THR 16 2HG2 THR 16 14.715 -1.127 -21.885 134 H ARG 17 H ARG 17 16.449 2.602 -20.096 135 HA ARG 17 HA ARG 17 17.673 2.921 -22.600 136 HB2 ARG 17 2HB ARG 17 17.039 4.633 -20.293 137 HB3 ARG 17 3HB ARG 17 18.412 5.178 -21.247 138 HG2 ARG 17 2HG ARG 17 16.586 6.268 -22.191 139 HG3 ARG 17 3HG ARG 17 16.881 4.907 -23.275 140 HD2 ARG 17 2HD ARG 17 15.156 3.791 -21.511 141 HD3 ARG 17 3HD ARG 17 14.599 5.464 -21.502 142 HE ARG 17 HE ARG 17 14.211 3.565 -23.568 143 HH11 ARG 17 1HH1 ARG 17 14.858 6.942 -23.023 144 HH12 ARG 17 2HH1 ARG 17 14.121 7.456 -24.504 145 HH21 ARG 17 1HH2 ARG 17 13.239 4.229 -25.521 146 HH22 ARG 17 2HH2 ARG 17 13.200 5.912 -25.924 147 H CYS 18 H CYS 18 19.001 2.449 -19.394 148 HA CYS 18 HA CYS 18 21.675 3.162 -20.022 149 HB2 CYS 18 2HB CYS 18 21.144 3.169 -17.730 150 HB3 CYS 18 3HB CYS 18 20.407 1.573 -17.805 151 HG CYS 18 HG CYS 18 23.764 2.133 -18.157 152 H GLN 19 H GLN 19 19.902 0.107 -20.040 153 HA GLN 19 HA GLN 19 22.149 -1.526 -20.626 154 HB2 GLN 19 2HB GLN 19 19.193 -1.996 -21.040 155 HB3 GLN 19 3HB GLN 19 20.430 -3.225 -21.262 156 HG2 GLN 19 2HG GLN 19 20.602 -1.911 -18.676 157 HG3 GLN 19 3HG GLN 19 19.051 -2.706 -18.945 158 HE21 GLN 19 1HE2 GLN 19 19.708 -4.117 -17.214 159 HE22 GLN 19 2HE2 GLN 19 20.750 -5.454 -17.548 160 H ALA 20 H ALA 20 19.693 0.050 -22.619 161 HA ALA 20 HA ALA 20 20.661 -1.067 -25.075 162 HB1 ALA 20 1HB ALA 20 18.299 -0.284 -24.629 163 HB2 ALA 20 2HB ALA 20 18.909 1.362 -24.798 164 HB3 ALA 20 3HB ALA 20 19.014 0.239 -26.154 165 H LEU 21 H LEU 21 21.264 1.835 -23.225 166 HA LEU 21 HA LEU 21 22.726 3.559 -23.479 167 HB2 LEU 21 2HB LEU 21 24.137 1.522 -25.194 168 HB3 LEU 21 3HB LEU 21 24.845 3.042 -24.651 169 HG LEU 21 HG LEU 21 23.911 0.863 -22.789 170 HD11 LEU 21 1HD1 LEU 21 25.728 -0.275 -23.360 171 HD12 LEU 21 2HD1 LEU 21 26.691 1.050 -22.709 172 HD13 LEU 21 3HD1 LEU 21 26.278 1.020 -24.423 173 HD21 LEU 21 3HD2 LEU 21 24.787 2.103 -21.069 174 HD22 LEU 21 1HD2 LEU 21 24.181 3.384 -22.120 175 HD23 LEU 21 2HD2 LEU 21 25.898 2.982 -22.121 176 H GLY 22 H GLY 22 21.004 4.675 -24.663 177 HA2 GLY 22 2HA GLY 22 20.520 4.714 -27.345 178 HA3 GLY 22 3HA GLY 22 20.482 6.160 -26.348 179 H GLY 23 H GLY 23 23.311 6.089 -25.703 180 HA2 GLY 23 2HA GLY 23 25.409 6.215 -26.897 181 HA3 GLY 23 3HA GLY 23 24.501 6.581 -28.356 182 H SER 24 H SER 24 23.742 8.073 -25.295 183 HA SER 24 HA SER 24 24.820 10.613 -26.332 184 HB2 SER 24 2HB SER 24 22.263 9.994 -24.881 185 HB3 SER 24 3HB SER 24 22.972 11.606 -24.784 186 HG SER 24 HG SER 24 21.880 10.264 -26.986 187 H GLU 25 H GLU 25 26.543 11.240 -25.226 188 HA GLU 25 HA GLU 25 27.376 10.187 -22.777 189 HB2 GLU 25 2HB GLU 25 28.891 12.227 -22.714 190 HB3 GLU 25 3HB GLU 25 29.022 11.201 -24.135 191 HG2 GLU 25 2HG GLU 25 28.583 12.913 -25.456 192 HG3 GLU 25 3HG GLU 25 27.057 13.205 -24.624 193 H ALA 26 H ALA 26 25.040 12.584 -23.474 194 HA ALA 26 HA ALA 26 25.175 13.880 -20.894 195 HB1 ALA 26 1HB ALA 26 24.525 15.254 -22.725 196 HB2 ALA 26 2HB ALA 26 23.250 14.130 -23.195 197 HB3 ALA 26 3HB ALA 26 23.107 15.047 -21.696 198 H GLU 27 H GLU 27 22.933 11.687 -22.570 199 HA GLU 27 HA GLU 27 21.027 11.462 -20.546 200 HB2 GLU 27 2HB GLU 27 20.067 10.220 -22.128 201 HB3 GLU 27 3HB GLU 27 21.568 10.216 -23.042 202 HG2 GLU 27 2HG GLU 27 22.306 8.223 -21.920 203 HG3 GLU 27 3HG GLU 27 20.901 8.260 -20.856 204 H CYS 28 H CYS 28 23.973 9.581 -21.127 205 HA CYS 28 HA CYS 28 23.629 7.683 -19.103 206 HB2 CYS 28 2HB CYS 28 26.269 8.815 -20.042 207 HB3 CYS 28 3HB CYS 28 25.989 7.237 -19.315 208 HG CYS 28 HG CYS 28 26.053 6.164 -21.655 209 H ALA 29 H ALA 29 25.062 10.909 -19.029 210 HA ALA 29 HA ALA 29 26.113 10.819 -16.431 211 HB1 ALA 29 1HB ALA 29 26.581 12.562 -18.171 212 HB2 ALA 29 2HB ALA 29 25.013 13.272 -17.787 213 HB3 ALA 29 3HB ALA 29 26.270 13.191 -16.553 214 H ALA 30 H ALA 30 23.005 12.157 -17.561 215 HA ALA 30 HA ALA 30 21.983 12.864 -15.068 216 HB1 ALA 30 1HB ALA 30 21.090 13.356 -17.442 217 HB2 ALA 30 2HB ALA 30 20.203 11.844 -17.247 218 HB3 ALA 30 3HB ALA 30 19.938 13.173 -16.119 219 H PHE 31 H PHE 31 22.032 9.767 -16.717 220 HA PHE 31 HA PHE 31 20.178 8.435 -15.049 221 HB2 PHE 31 2HB PHE 31 22.274 7.595 -16.998 222 HB3 PHE 31 3HB PHE 31 21.640 6.382 -15.891 223 HD1 PHE 31 HD2 PHE 31 19.676 9.184 -17.249 224 HD2 PHE 31 HD1 PHE 31 20.552 5.027 -17.503 225 HE1 PHE 31 HE2 PHE 31 17.729 8.867 -18.719 226 HE2 PHE 31 HE1 PHE 31 18.607 4.703 -18.974 227 HZ PHE 31 HZ PHE 31 17.191 6.624 -19.583 228 H GLU 32 H GLU 32 23.733 8.565 -15.007 229 HA GLU 32 HA GLU 32 24.144 6.909 -12.799 230 HB2 GLU 32 2HB GLU 32 25.704 8.894 -14.294 231 HB3 GLU 32 3HB GLU 32 26.188 8.732 -12.611 232 HG2 GLU 32 2HG GLU 32 26.154 6.179 -13.150 233 HG3 GLU 32 3HG GLU 32 26.300 6.734 -14.816 234 H LYS 33 H LYS 33 23.579 10.398 -12.972 235 HA LYS 33 HA LYS 33 23.963 10.952 -10.239 236 HB2 LYS 33 2HB LYS 33 23.230 12.390 -12.561 237 HB3 LYS 33 3HB LYS 33 21.970 12.685 -11.369 238 HG2 LYS 33 2HG LYS 33 23.504 14.393 -11.008 239 HG3 LYS 33 3HG LYS 33 23.883 13.212 -9.753 240 HD2 LYS 33 2HD LYS 33 25.869 12.617 -10.722 241 HD3 LYS 33 3HD LYS 33 25.311 12.998 -12.353 242 HE2 LYS 33 2HE LYS 33 26.804 14.707 -11.975 243 HE3 LYS 33 3HE LYS 33 25.292 15.452 -11.458 244 HZ1 LYS 33 3HZ LYS 33 27.172 14.109 -9.599 245 HZ2 LYS 33 1HZ LYS 33 25.834 15.063 -9.196 246 HZ3 LYS 33 2HZ LYS 33 27.194 15.772 -9.909 247 H GLU 34 H GLU 34 20.926 10.524 -12.065 248 HA GLU 34 HA GLU 34 19.149 10.681 -9.959 249 HB2 GLU 34 2HB GLU 34 19.031 9.964 -12.671 250 HB3 GLU 34 3HB GLU 34 18.330 8.609 -11.797 251 HG2 GLU 34 2HG GLU 34 16.776 10.132 -10.683 252 HG3 GLU 34 3HG GLU 34 17.474 11.485 -11.571 253 H ILE 35 H ILE 35 20.813 7.796 -11.196 254 HA ILE 35 HA ILE 35 19.666 5.947 -9.425 255 HB ILE 35 HB ILE 35 22.345 5.901 -10.812 256 HG12 ILE 35 2HG1 ILE 35 20.289 5.903 -12.238 257 HG13 ILE 35 3HG1 ILE 35 21.268 4.450 -12.408 258 HG21 ILE 35 1HG2 ILE 35 22.768 4.347 -9.202 259 HG22 ILE 35 2HG2 ILE 35 21.062 3.978 -8.953 260 HG23 ILE 35 3HG2 ILE 35 21.910 3.326 -10.355 261 HD11 ILE 35 3HD1 ILE 35 19.289 4.104 -10.353 262 HD12 ILE 35 1HD1 ILE 35 18.543 4.604 -11.871 263 HD13 ILE 35 2HD1 ILE 35 19.565 3.167 -11.822 264 H ALA 36 H ALA 36 22.617 7.892 -9.172 265 HA ALA 36 HA ALA 36 23.660 6.827 -6.829 266 HB1 ALA 36 1HB ALA 36 23.795 9.763 -7.417 267 HB2 ALA 36 2HB ALA 36 25.020 8.713 -6.702 268 HB3 ALA 36 3HB ALA 36 24.646 8.589 -8.421 269 H ALA 37 H ALA 37 21.362 9.515 -7.219 270 HA ALA 37 HA ALA 37 21.067 10.052 -4.463 271 HB1 ALA 37 1HB ALA 37 20.410 11.761 -5.930 272 HB2 ALA 37 2HB ALA 37 19.371 10.681 -6.860 273 HB3 ALA 37 3HB ALA 37 18.906 11.163 -5.229 274 H PHE 38 H PHE 38 19.337 7.925 -6.685 275 HA PHE 38 HA PHE 38 17.182 7.236 -5.058 276 HB2 PHE 38 2HB PHE 38 18.485 6.141 -7.442 277 HB3 PHE 38 3HB PHE 38 17.717 4.913 -6.440 278 HD1 PHE 38 HD2 PHE 38 16.694 8.426 -7.104 279 HD2 PHE 38 HD1 PHE 38 15.807 4.291 -7.586 280 HE1 PHE 38 HE2 PHE 38 14.509 9.011 -8.071 281 HE2 PHE 38 HE1 PHE 38 13.620 4.870 -8.555 282 HZ PHE 38 HZ PHE 38 12.968 7.233 -8.798 283 H GLU 39 H GLU 39 20.267 5.494 -5.470 284 HA GLU 39 HA GLU 39 19.780 3.575 -3.474 285 HB2 GLU 39 2HB GLU 39 22.219 3.166 -3.555 286 HB3 GLU 39 3HB GLU 39 21.487 3.220 -5.152 287 HG2 GLU 39 2HG GLU 39 22.283 5.514 -5.437 288 HG3 GLU 39 3HG GLU 39 23.030 5.447 -3.841 289 H SER 40 H SER 40 21.298 6.755 -3.368 290 HA SER 40 HA SER 40 22.287 6.597 -0.733 291 HB2 SER 40 2HB SER 40 23.034 8.310 -2.332 292 HB3 SER 40 3HB SER 40 21.431 9.043 -2.300 293 HG SER 40 HG SER 40 23.438 9.563 -0.703 294 H GLU 41 H GLU 41 19.142 7.379 -2.040 295 HA GLU 41 HA GLU 41 18.122 8.364 0.477 296 HB2 GLU 41 2HB GLU 41 16.872 7.814 -2.208 297 HB3 GLU 41 3HB GLU 41 15.904 8.254 -0.808 298 HG2 GLU 41 2HG GLU 41 18.181 10.024 -1.325 299 HG3 GLU 41 3HG GLU 41 16.948 10.010 -2.585 300 H LEU 42 H LEU 42 18.131 5.370 -1.327 301 HA LEU 42 HA LEU 42 16.142 4.090 0.303 302 HB2 LEU 42 2HB LEU 42 18.144 2.936 -1.634 303 HB3 LEU 42 3HB LEU 42 16.815 2.046 -0.893 304 HG LEU 42 HG LEU 42 16.204 4.475 -2.516 305 HD11 LEU 42 1HD1 LEU 42 17.687 3.334 -3.988 306 HD12 LEU 42 2HD1 LEU 42 16.042 2.983 -4.516 307 HD13 LEU 42 3HD1 LEU 42 16.954 1.773 -3.614 308 HD21 LEU 42 3HD2 LEU 42 14.782 1.834 -2.217 309 HD22 LEU 42 1HD2 LEU 42 14.153 3.314 -2.940 310 HD23 LEU 42 2HD2 LEU 42 14.475 3.248 -1.208 311 H GLN 43 H GLN 43 19.573 4.525 0.419 312 HA GLN 43 HA GLN 43 20.132 2.345 2.180 313 HB2 GLN 43 2HB GLN 43 22.335 3.174 2.279 314 HB3 GLN 43 3HB GLN 43 21.783 3.549 0.652 315 HG2 GLN 43 2HG GLN 43 22.429 5.633 1.011 316 HG3 GLN 43 3HG GLN 43 21.091 5.780 2.149 317 HE21 GLN 43 1HE2 GLN 43 23.578 7.165 2.258 318 HE22 GLN 43 2HE2 GLN 43 24.361 6.706 3.728 319 H ALA 44 H ALA 44 18.871 5.510 2.579 320 HA ALA 44 HA ALA 44 19.663 5.933 5.282 321 HB1 ALA 44 1HB ALA 44 17.202 7.168 4.125 322 HB2 ALA 44 2HB ALA 44 18.406 7.865 5.210 323 HB3 ALA 44 3HB ALA 44 18.790 7.625 3.506 324 H TYR 45 H TYR 45 17.001 4.286 3.737 325 HA TYR 45 HA TYR 45 15.520 4.001 6.214 326 HB2 TYR 45 2HB TYR 45 14.966 2.646 3.572 327 HB3 TYR 45 3HB TYR 45 13.844 2.897 4.905 328 HD1 TYR 45 HD2 TYR 45 13.635 5.506 5.585 329 HD2 TYR 45 HD1 TYR 45 14.716 4.023 1.746 330 HE1 TYR 45 HE2 TYR 45 12.892 7.618 4.566 331 HE2 TYR 45 HE1 TYR 45 13.978 6.131 0.717 332 HH TYR 45 HH TYR 45 12.352 8.620 2.592 333 H LYS 46 H LYS 46 16.719 1.643 3.818 334 HA LYS 46 HA LYS 46 17.390 -0.525 4.046 335 HB2 LYS 46 2HB LYS 46 19.356 0.650 4.944 336 HB3 LYS 46 3HB LYS 46 18.650 0.602 6.554 337 HG2 LYS 46 2HG LYS 46 18.694 -2.046 5.535 338 HG3 LYS 46 3HG LYS 46 20.285 -1.326 5.280 339 HD2 LYS 46 2HD LYS 46 18.991 -0.913 7.921 340 HD3 LYS 46 3HD LYS 46 19.619 -2.523 7.558 341 HE2 LYS 46 2HE LYS 46 21.722 -1.853 7.859 342 HE3 LYS 46 3HE LYS 46 21.498 -0.461 6.801 343 HZ1 LYS 46 3HZ LYS 46 20.203 -0.128 9.328 344 HZ2 LYS 46 1HZ LYS 46 21.300 0.888 8.538 345 HZ3 LYS 46 2HZ LYS 46 21.867 -0.382 9.499 346 H GLY 47 H GLY 47 15.248 -1.332 4.369 347 HA2 GLY 47 2HA GLY 47 13.706 -2.635 5.461 348 HA3 GLY 47 3HA GLY 47 14.974 -2.981 6.628 349 H LYS 48 H LYS 48 14.392 -2.525 8.632 350 HA LYS 48 HA LYS 48 13.308 -1.606 10.414 351 HB2 LYS 48 2HB LYS 48 14.038 0.798 8.761 352 HB3 LYS 48 3HB LYS 48 13.206 0.972 10.301 353 HG2 LYS 48 2HG LYS 48 15.231 -0.660 11.022 354 HG3 LYS 48 3HG LYS 48 15.998 0.261 9.726 355 HD2 LYS 48 2HD LYS 48 15.038 2.331 10.923 356 HD3 LYS 48 3HD LYS 48 14.817 1.250 12.301 357 HE2 LYS 48 2HE LYS 48 17.450 1.553 10.880 358 HE3 LYS 48 3HE LYS 48 16.977 2.583 12.230 359 HZ1 LYS 48 3HZ LYS 48 18.131 0.915 13.275 360 HZ2 LYS 48 1HZ LYS 48 17.593 -0.292 12.218 361 HZ3 LYS 48 2HZ LYS 48 16.549 0.327 13.396 362 H GLY 49 H GLY 49 11.370 -2.779 9.510 363 HA2 GLY 49 2HA GLY 49 9.059 -2.734 9.441 364 HA3 GLY 49 3HA GLY 49 9.127 -0.982 9.555 365 H ASN 50 H ASN 50 11.070 -2.253 7.080 366 HA ASN 50 HA ASN 50 9.143 -2.525 5.026 367 HB2 ASN 50 2HB ASN 50 10.158 0.185 5.598 368 HB3 ASN 50 3HB ASN 50 10.252 -0.301 3.908 369 HD21 ASN 50 1HD2 ASN 50 8.488 1.515 5.707 370 HD22 ASN 50 2HD2 ASN 50 6.893 1.173 5.138 371 HA PRO 51 HA PRO 51 13.398 -4.149 4.194 372 HB2 PRO 51 2HB PRO 51 12.552 -6.619 3.451 373 HB3 PRO 51 3HB PRO 51 12.864 -6.176 5.133 374 HG2 PRO 51 2HG PRO 51 10.260 -6.319 3.663 375 HG3 PRO 51 3HG PRO 51 10.652 -6.875 5.301 376 HD2 PRO 51 2HD PRO 51 9.367 -4.539 4.824 377 HD3 PRO 51 3HD PRO 51 10.469 -4.760 6.198 378 H GLU 52 H GLU 52 10.475 -3.766 2.430 379 HA GLU 52 HA GLU 52 11.059 -4.777 -0.068 380 HB2 GLU 52 2HB GLU 52 9.600 -2.931 -0.951 381 HB3 GLU 52 3HB GLU 52 8.889 -3.879 0.348 382 HG2 GLU 52 2HG GLU 52 8.690 -2.106 1.671 383 HG3 GLU 52 3HG GLU 52 10.333 -1.565 1.334 384 H VAL 53 H VAL 53 12.277 -1.887 1.480 385 HA VAL 53 HA VAL 53 13.313 -0.519 -0.708 386 HB VAL 53 HB VAL 53 14.613 -0.701 2.011 387 HG11 VAL 53 1HG1 VAL 53 14.708 1.881 0.794 388 HG12 VAL 53 2HG1 VAL 53 16.042 0.825 1.262 389 HG13 VAL 53 3HG1 VAL 53 15.323 0.682 -0.343 390 HG21 VAL 53 3HG2 VAL 53 12.081 0.489 1.156 391 HG22 VAL 53 1HG2 VAL 53 12.659 0.089 2.773 392 HG23 VAL 53 2HG2 VAL 53 13.145 1.604 2.012 393 H GLU 54 H GLU 54 14.457 -3.387 0.896 394 HA GLU 54 HA GLU 54 17.121 -3.457 0.203 395 HB2 GLU 54 2HB GLU 54 15.079 -5.665 0.380 396 HB3 GLU 54 3HB GLU 54 16.777 -5.986 0.060 397 HG2 GLU 54 2HG GLU 54 16.053 -4.325 2.418 398 HG3 GLU 54 3HG GLU 54 15.813 -6.070 2.493 399 H ALA 55 H ALA 55 14.418 -4.761 -1.723 400 HA ALA 55 HA ALA 55 15.823 -5.589 -3.945 401 HB1 ALA 55 1HB ALA 55 13.382 -4.415 -4.834 402 HB2 ALA 55 2HB ALA 55 13.775 -6.120 -4.608 403 HB3 ALA 55 3HB ALA 55 13.110 -5.183 -3.270 404 H LEU 56 H LEU 56 14.358 -2.383 -3.412 405 HA LEU 56 HA LEU 56 15.108 -1.181 -5.791 406 HB2 LEU 56 2HB LEU 56 14.771 -0.052 -3.025 407 HB3 LEU 56 3HB LEU 56 15.104 0.961 -4.429 408 HG LEU 56 HG LEU 56 12.699 -0.842 -4.197 409 HD11 LEU 56 1HD1 LEU 56 11.410 1.039 -3.547 410 HD12 LEU 56 2HD1 LEU 56 12.771 2.136 -3.775 411 HD13 LEU 56 3HD1 LEU 56 12.794 0.967 -2.455 412 HD21 LEU 56 3HD2 LEU 56 12.212 -0.225 -6.278 413 HD22 LEU 56 1HD2 LEU 56 13.847 0.429 -6.386 414 HD23 LEU 56 2HD2 LEU 56 12.508 1.476 -5.915 415 H ARG 57 H ARG 57 16.930 -1.440 -2.760 416 HA ARG 57 HA ARG 57 19.137 0.109 -3.501 417 HB2 ARG 57 2HB ARG 57 18.764 -2.146 -1.551 418 HB3 ARG 57 3HB ARG 57 20.353 -1.439 -1.811 419 HG2 ARG 57 2HG ARG 57 17.993 0.273 -1.130 420 HG3 ARG 57 3HG ARG 57 18.921 -0.556 0.122 421 HD2 ARG 57 2HD ARG 57 20.251 1.167 -1.945 422 HD3 ARG 57 3HD ARG 57 19.573 1.854 -0.469 423 HE ARG 57 HE ARG 57 21.145 -0.108 0.480 424 HH11 ARG 57 1HH1 ARG 57 21.712 2.446 -1.817 425 HH12 ARG 57 2HH1 ARG 57 23.396 2.590 -1.437 426 HH21 ARG 57 1HH2 ARG 57 23.361 0.073 0.989 427 HH22 ARG 57 2HH2 ARG 57 24.333 1.240 0.159 428 H LYS 58 H LYS 58 18.558 -3.375 -3.852 429 HA LYS 58 HA LYS 58 21.038 -4.076 -4.929 430 HB2 LYS 58 2HB LYS 58 18.784 -5.441 -4.261 431 HB3 LYS 58 3HB LYS 58 18.696 -5.506 -6.016 432 HG2 LYS 58 2HG LYS 58 21.140 -6.317 -4.466 433 HG3 LYS 58 3HG LYS 58 19.849 -7.439 -4.901 434 HD2 LYS 58 2HD LYS 58 20.200 -6.873 -7.278 435 HD3 LYS 58 3HD LYS 58 21.538 -5.821 -6.809 436 HE2 LYS 58 2HE LYS 58 22.938 -7.552 -6.447 437 HE3 LYS 58 3HE LYS 58 21.670 -8.570 -5.766 438 HZ1 LYS 58 3HZ LYS 58 21.348 -8.082 -8.578 439 HZ2 LYS 58 1HZ LYS 58 21.315 -9.542 -7.724 440 HZ3 LYS 58 2HZ LYS 58 22.793 -8.880 -8.210 441 H GLU 59 H GLU 59 17.995 -3.403 -6.669 442 HA GLU 59 HA GLU 59 18.961 -3.566 -9.252 443 HB2 GLU 59 2HB GLU 59 16.810 -1.775 -8.117 444 HB3 GLU 59 3HB GLU 59 17.105 -1.973 -9.839 445 HG2 GLU 59 2HG GLU 59 16.679 -4.419 -8.220 446 HG3 GLU 59 3HG GLU 59 15.287 -3.388 -8.547 447 H ALA 60 H ALA 60 18.759 -0.666 -7.197 448 HA ALA 60 HA ALA 60 19.796 1.204 -8.939 449 HB1 ALA 60 1HB ALA 60 20.336 1.082 -5.975 450 HB2 ALA 60 2HB ALA 60 20.394 2.514 -7.004 451 HB3 ALA 60 3HB ALA 60 18.856 1.703 -6.707 452 H ALA 61 H ALA 61 21.625 -0.767 -6.595 453 HA ALA 61 HA ALA 61 24.174 0.127 -7.212 454 HB1 ALA 61 1HB ALA 61 23.949 -1.221 -5.305 455 HB2 ALA 61 2HB ALA 61 23.180 -2.525 -6.211 456 HB3 ALA 61 3HB ALA 61 24.898 -2.190 -6.433 457 H ALA 62 H ALA 62 22.322 -2.510 -8.700 458 HA ALA 62 HA ALA 62 24.296 -3.455 -10.434 459 HB1 ALA 62 1HB ALA 62 22.671 -4.758 -11.343 460 HB2 ALA 62 2HB ALA 62 21.832 -4.276 -9.868 461 HB3 ALA 62 3HB ALA 62 21.489 -3.450 -11.388 462 H ILE 63 H ILE 63 21.818 -0.959 -10.950 463 HA ILE 63 HA ILE 63 22.417 -0.389 -13.622 464 HB ILE 63 HB ILE 63 21.361 1.498 -11.513 465 HG12 ILE 63 2HG1 ILE 63 19.536 0.366 -13.523 466 HG13 ILE 63 3HG1 ILE 63 20.201 -0.817 -12.403 467 HG21 ILE 63 1HG2 ILE 63 21.520 1.682 -14.505 468 HG22 ILE 63 2HG2 ILE 63 20.338 2.602 -13.576 469 HG23 ILE 63 3HG2 ILE 63 22.062 2.847 -13.297 470 HD11 ILE 63 3HD1 ILE 63 19.387 1.414 -10.881 471 HD12 ILE 63 1HD1 ILE 63 18.083 1.028 -12.003 472 HD13 ILE 63 2HD1 ILE 63 18.698 -0.209 -10.907 473 H ARG 64 H ARG 64 23.689 1.020 -10.626 474 HA ARG 64 HA ARG 64 25.278 3.012 -11.777 475 HB2 ARG 64 2HB ARG 64 24.858 3.038 -9.415 476 HB3 ARG 64 3HB ARG 64 25.603 1.458 -9.209 477 HG2 ARG 64 2HG ARG 64 27.092 3.168 -8.411 478 HG3 ARG 64 3HG ARG 64 27.772 2.425 -9.861 479 HD2 ARG 64 2HD ARG 64 27.693 4.343 -11.014 480 HD3 ARG 64 3HD ARG 64 26.077 4.731 -10.426 481 HE ARG 64 HE ARG 64 28.095 5.102 -8.433 482 HH11 ARG 64 1HH1 ARG 64 26.543 6.554 -11.189 483 HH12 ARG 64 2HH1 ARG 64 26.899 8.177 -10.699 484 HH21 ARG 64 1HH2 ARG 64 28.570 7.234 -7.776 485 HH22 ARG 64 2HH2 ARG 64 28.053 8.563 -8.758 486 H ASP 65 H ASP 65 26.086 -0.336 -10.905 487 HA ASP 65 HA ASP 65 28.785 -0.274 -11.628 488 HB2 ASP 65 2HB ASP 65 26.801 -2.554 -11.634 489 HB3 ASP 65 3HB ASP 65 28.531 -2.765 -11.893 490 H GLU 66 H GLU 66 25.911 -1.064 -13.548 491 HA GLU 66 HA GLU 66 27.228 -1.823 -15.900 492 HB2 GLU 66 2HB GLU 66 24.544 -0.449 -15.703 493 HB3 GLU 66 3HB GLU 66 25.116 -1.458 -17.025 494 HG2 GLU 66 2HG GLU 66 25.245 -2.868 -14.514 495 HG3 GLU 66 3HG GLU 66 23.622 -2.255 -14.823 496 H CYS 67 H CYS 67 25.954 1.345 -14.909 497 HA CYS 67 HA CYS 67 26.625 2.769 -17.208 498 HB2 CYS 67 2HB CYS 67 26.436 3.666 -14.329 499 HB3 CYS 67 3HB CYS 67 26.644 4.776 -15.678 500 HG CYS 67 HG CYS 67 24.038 5.092 -15.320 501 H GLN 68 H GLN 68 28.542 2.046 -14.330 502 HA GLN 68 HA GLN 68 30.779 3.632 -15.074 503 HB2 GLN 68 2HB GLN 68 30.533 1.301 -13.168 504 HB3 GLN 68 3HB GLN 68 31.983 2.280 -13.343 505 HG2 GLN 68 2HG GLN 68 31.060 4.090 -12.303 506 HG3 GLN 68 3HG GLN 68 29.415 3.651 -12.758 507 HE21 GLN 68 1HE2 GLN 68 29.985 4.452 -10.212 508 HE22 GLN 68 2HE2 GLN 68 29.833 3.115 -9.129 509 H ALA 69 H ALA 69 29.778 0.359 -15.766 510 HA ALA 69 HA ALA 69 32.329 -0.432 -16.850 511 HB1 ALA 69 1HB ALA 69 31.025 -2.152 -15.855 512 HB2 ALA 69 2HB ALA 69 29.623 -1.750 -16.848 513 HB3 ALA 69 3HB ALA 69 31.054 -2.462 -17.592 514 H TYR 70 H TYR 70 29.878 1.520 -17.946 515 HA TYR 70 HA TYR 70 30.283 0.794 -20.762 516 HB2 TYR 70 2HB TYR 70 28.211 2.585 -19.477 517 HB3 TYR 70 3HB TYR 70 28.329 2.259 -21.202 518 HD1 TYR 70 HD2 TYR 70 29.064 -0.724 -20.845 519 HD2 TYR 70 HD1 TYR 70 25.994 1.720 -19.201 520 HE1 TYR 70 HE2 TYR 70 27.639 -2.709 -20.569 521 HE2 TYR 70 HE1 TYR 70 24.561 -0.259 -18.920 522 HH TYR 70 HH TYR 70 25.136 -3.172 -20.411 523 H ARG 71 H ARG 71 30.599 3.436 -18.462 524 HA ARG 71 HA ARG 71 32.303 4.834 -20.403 525 HB2 ARG 71 2HB ARG 71 29.889 5.788 -20.066 526 HB3 ARG 71 3HB ARG 71 30.542 6.401 -18.553 527 HG2 ARG 71 2HG ARG 71 31.951 7.879 -19.599 528 HG3 ARG 71 3HG ARG 71 32.015 6.932 -21.086 529 HD2 ARG 71 2HD ARG 71 29.394 7.558 -21.029 530 HD3 ARG 71 3HD ARG 71 30.067 8.965 -20.206 531 HE ARG 71 HE ARG 71 30.215 8.394 -22.979 532 HH11 ARG 71 1HH1 ARG 71 32.029 9.768 -20.345 533 HH12 ARG 71 2HH1 ARG 71 32.963 10.815 -21.362 534 HH21 ARG 71 1HH2 ARG 71 31.438 9.767 -24.329 535 HH22 ARG 71 2HH2 ARG 71 32.625 10.814 -23.628 536 H HIS 72 H HIS 72 33.215 3.144 -18.395 537 HA HIS 72 HA HIS 72 35.095 4.764 -17.087 538 HB2 HIS 72 2HB HIS 72 32.652 4.803 -15.769 539 HB3 HIS 72 3HB HIS 72 33.585 3.602 -14.881 540 HD1 HIS 72 HD1 HIS 72 33.449 7.252 -15.653 541 HD2 HIS 72 HD2 HIS 72 35.778 4.608 -13.453 542 HE1 HIS 72 HE1 HIS 72 34.900 8.692 -14.190 543 H ASN 73 H ASN 73 34.909 2.324 -18.619 544 HA ASN 73 HA ASN 73 36.430 0.593 -16.820 545 HB2 ASN 73 2HB ASN 73 34.355 -0.502 -16.669 546 HB3 ASN 73 3HB ASN 73 33.977 -0.213 -18.365 547 HD21 ASN 73 1HD2 ASN 73 34.481 -1.719 -19.822 548 HD22 ASN 73 2HD2 ASN 73 35.380 -3.157 -19.490 Start of MODEL 13 1 H1 MET 1 H MET 1 1.277 0.688 -4.608 2 HA MET 1 HA MET 1 0.689 1.192 -1.833 3 HB2 MET 1 2HB MET 1 2.788 -0.625 -3.026 4 HB3 MET 1 3HB MET 1 2.188 -0.660 -1.374 5 HG2 MET 1 2HG MET 1 -0.123 -1.009 -2.612 6 HG3 MET 1 3HG MET 1 0.935 -1.638 -3.873 7 HE1 MET 1 3HE MET 1 -1.019 -3.460 -3.175 8 HE2 MET 1 1HE MET 1 -0.694 -4.726 -1.990 9 HE3 MET 1 2HE MET 1 -1.367 -3.182 -1.468 10 H GLY 2 H GLY 2 1.509 2.990 -0.948 11 HA2 GLY 2 2HA GLY 2 3.018 4.601 -0.312 12 HA3 GLY 2 3HA GLY 2 4.192 3.294 -0.341 13 H SER 3 H SER 3 5.877 4.531 -1.122 14 HA SER 3 HA SER 3 5.508 5.808 -3.737 15 HB2 SER 3 2HB SER 3 6.692 6.824 -1.540 16 HB3 SER 3 3HB SER 3 8.093 6.071 -2.301 17 HG SER 3 HG SER 3 7.845 7.358 -4.054 18 H TRP 4 H TRP 4 5.703 2.910 -3.374 19 HA TRP 4 HA TRP 4 8.331 2.174 -4.332 20 HB2 TRP 4 2HB TRP 4 7.320 0.587 -2.881 21 HB3 TRP 4 3HB TRP 4 5.808 0.615 -3.784 22 HD1 TRP 4 HD1 TRP 4 5.859 -0.611 -6.246 23 HE1 TRP 4 HE1 TRP 4 7.243 -2.627 -7.049 24 HE3 TRP 4 HE3 TRP 4 9.491 -0.586 -2.648 25 HZ2 TRP 4 HZ2 TRP 4 9.567 -4.022 -6.261 26 HZ3 TRP 4 HZ3 TRP 4 11.258 -2.296 -2.744 27 HH2 TRP 4 HH2 TRP 4 11.293 -3.978 -4.514 28 H ALA 5 H ALA 5 5.044 2.382 -5.624 29 HA ALA 5 HA ALA 5 5.492 1.281 -8.142 30 HB1 ALA 5 1HB ALA 5 3.265 1.789 -7.263 31 HB2 ALA 5 2HB ALA 5 3.596 3.514 -7.425 32 HB3 ALA 5 3HB ALA 5 3.508 2.494 -8.861 33 H GLU 6 H GLU 6 5.739 4.675 -7.100 34 HA GLU 6 HA GLU 6 6.469 5.735 -9.593 35 HB2 GLU 6 2HB GLU 6 6.044 6.727 -7.018 36 HB3 GLU 6 3HB GLU 6 7.716 7.132 -7.378 37 HG2 GLU 6 2HG GLU 6 6.169 8.923 -7.995 38 HG3 GLU 6 3HG GLU 6 7.048 8.290 -9.386 39 H PHE 7 H PHE 7 8.474 4.657 -6.864 40 HA PHE 7 HA PHE 7 10.961 5.249 -8.030 41 HB2 PHE 7 2HB PHE 7 9.998 3.648 -5.743 42 HB3 PHE 7 3HB PHE 7 11.558 3.161 -6.398 43 HD1 PHE 7 HD1 PHE 7 9.695 6.106 -5.120 44 HD2 PHE 7 HD2 PHE 7 13.490 4.309 -5.812 45 HE1 PHE 7 HE1 PHE 7 10.781 7.926 -3.870 46 HE2 PHE 7 HE2 PHE 7 14.582 6.125 -4.562 47 HZ PHE 7 HZ PHE 7 13.227 7.936 -3.589 48 H LYS 8 H LYS 8 8.925 2.374 -8.161 49 HA LYS 8 HA LYS 8 10.778 0.687 -9.460 50 HB2 LYS 8 2HB LYS 8 8.762 -0.148 -8.322 51 HB3 LYS 8 3HB LYS 8 7.755 0.624 -9.540 52 HG2 LYS 8 2HG LYS 8 7.864 -1.652 -10.124 53 HG3 LYS 8 3HG LYS 8 8.933 -0.811 -11.249 54 HD2 LYS 8 2HD LYS 8 10.692 -1.995 -10.565 55 HD3 LYS 8 3HD LYS 8 10.361 -1.616 -8.873 56 HE2 LYS 8 2HE LYS 8 8.885 -3.464 -8.662 57 HE3 LYS 8 3HE LYS 8 8.867 -3.735 -10.404 58 HZ1 LYS 8 3HZ LYS 8 11.424 -3.892 -8.970 59 HZ2 LYS 8 1HZ LYS 8 10.923 -4.702 -10.369 60 HZ3 LYS 8 2HZ LYS 8 10.346 -5.191 -8.857 61 H GLN 9 H GLN 9 8.291 2.887 -10.681 62 HA GLN 9 HA GLN 9 8.527 2.204 -13.401 63 HB2 GLN 9 2HB GLN 9 6.976 3.956 -11.889 64 HB3 GLN 9 3HB GLN 9 7.877 5.002 -12.978 65 HG2 GLN 9 2HG GLN 9 6.988 2.918 -14.584 66 HG3 GLN 9 3HG GLN 9 5.633 3.272 -13.514 67 HE21 GLN 9 1HE2 GLN 9 7.823 4.608 -15.894 68 HE22 GLN 9 2HE2 GLN 9 6.832 5.953 -16.333 69 H ARG 10 H ARG 10 9.899 4.977 -11.625 70 HA ARG 10 HA ARG 10 11.415 6.033 -13.699 71 HB2 ARG 10 2HB ARG 10 11.981 6.042 -10.730 72 HB3 ARG 10 3HB ARG 10 12.814 7.050 -11.906 73 HG2 ARG 10 2HG ARG 10 11.149 8.530 -11.982 74 HG3 ARG 10 3HG ARG 10 9.914 7.272 -12.055 75 HD2 ARG 10 2HD ARG 10 9.381 7.914 -9.981 76 HD3 ARG 10 3HD ARG 10 10.836 7.050 -9.485 77 HE ARG 10 HE ARG 10 11.585 9.634 -10.216 78 HH11 ARG 10 1HH1 ARG 10 9.682 8.041 -7.774 79 HH12 ARG 10 2HH1 ARG 10 9.966 9.257 -6.574 80 HH21 ARG 10 1HH2 ARG 10 11.966 11.242 -8.644 81 HH22 ARG 10 2HH2 ARG 10 11.264 11.078 -7.070 82 H LEU 11 H LEU 11 12.316 3.602 -11.275 83 HA LEU 11 HA LEU 11 14.989 3.286 -12.085 84 HB2 LEU 11 2HB LEU 11 13.055 1.779 -10.447 85 HB3 LEU 11 3HB LEU 11 14.393 0.843 -11.110 86 HG LEU 11 HG LEU 11 15.295 3.301 -9.853 87 HD11 LEU 11 1HD1 LEU 11 13.704 3.257 -8.223 88 HD12 LEU 11 2HD1 LEU 11 14.859 2.118 -7.530 89 HD13 LEU 11 3HD1 LEU 11 13.432 1.521 -8.377 90 HD21 LEU 11 3HD2 LEU 11 16.329 0.862 -10.472 91 HD22 LEU 11 1HD2 LEU 11 16.051 0.698 -8.738 92 HD23 LEU 11 2HD2 LEU 11 17.059 2.011 -9.349 93 H ALA 12 H ALA 12 12.007 1.737 -13.151 94 HA ALA 12 HA ALA 12 13.158 -0.266 -14.752 95 HB1 ALA 12 1HB ALA 12 11.023 -0.642 -15.605 96 HB2 ALA 12 2HB ALA 12 10.719 0.016 -13.997 97 HB3 ALA 12 3HB ALA 12 10.547 1.046 -15.417 98 H ALA 13 H ALA 13 12.080 3.023 -15.550 99 HA ALA 13 HA ALA 13 12.679 2.894 -18.302 100 HB1 ALA 13 1HB ALA 13 11.421 4.694 -16.713 101 HB2 ALA 13 2HB ALA 13 12.941 5.530 -17.035 102 HB3 ALA 13 3HB ALA 13 11.921 5.008 -18.375 103 H ILE 14 H ILE 14 14.572 3.958 -15.507 104 HA ILE 14 HA ILE 14 16.793 4.920 -16.959 105 HB ILE 14 HB ILE 14 16.677 3.844 -14.140 106 HG12 ILE 14 2HG1 ILE 14 16.839 6.741 -14.894 107 HG13 ILE 14 3HG1 ILE 14 15.282 5.922 -14.920 108 HG21 ILE 14 1HG2 ILE 14 18.722 5.764 -14.455 109 HG22 ILE 14 2HG2 ILE 14 18.883 4.051 -14.073 110 HG23 ILE 14 3HG2 ILE 14 18.907 4.585 -15.753 111 HD11 ILE 14 3HD1 ILE 14 15.928 5.197 -12.512 112 HD12 ILE 14 1HD1 ILE 14 17.052 6.553 -12.608 113 HD13 ILE 14 2HD1 ILE 14 15.321 6.825 -12.811 114 H LYS 15 H LYS 15 15.979 1.745 -15.661 115 HA LYS 15 HA LYS 15 18.489 0.533 -16.180 116 HB2 LYS 15 2HB LYS 15 16.227 -0.216 -14.845 117 HB3 LYS 15 3HB LYS 15 16.124 -1.214 -16.289 118 HG2 LYS 15 2HG LYS 15 17.726 -2.577 -15.574 119 HG3 LYS 15 3HG LYS 15 18.785 -1.232 -15.143 120 HD2 LYS 15 2HD LYS 15 18.425 -2.140 -13.072 121 HD3 LYS 15 3HD LYS 15 17.091 -0.987 -13.137 122 HE2 LYS 15 2HE LYS 15 15.763 -2.718 -12.668 123 HE3 LYS 15 3HE LYS 15 16.041 -3.238 -14.330 124 HZ1 LYS 15 3HZ LYS 15 18.034 -4.456 -13.439 125 HZ2 LYS 15 1HZ LYS 15 16.531 -5.072 -12.965 126 HZ3 LYS 15 2HZ LYS 15 17.444 -4.145 -11.884 127 H THR 16 H THR 16 15.471 0.730 -18.019 128 HA THR 16 HA THR 16 16.221 -0.957 -20.137 129 HB THR 16 HB THR 16 14.396 1.423 -20.446 130 HG1 THR 16 HG1 THR 16 13.033 0.494 -19.126 131 HG21 THR 16 3HG2 THR 16 14.478 -1.314 -21.718 132 HG22 THR 16 1HG2 THR 16 14.863 0.221 -22.494 133 HG23 THR 16 2HG2 THR 16 13.210 -0.119 -21.984 134 H ARG 17 H ARG 17 16.291 2.604 -19.932 135 HA ARG 17 HA ARG 17 17.540 3.003 -22.424 136 HB2 ARG 17 2HB ARG 17 16.888 4.631 -20.066 137 HB3 ARG 17 3HB ARG 17 18.300 5.185 -20.956 138 HG2 ARG 17 2HG ARG 17 16.615 6.356 -21.981 139 HG3 ARG 17 3HG ARG 17 16.748 4.944 -23.031 140 HD2 ARG 17 2HD ARG 17 14.576 4.598 -22.703 141 HD3 ARG 17 3HD ARG 17 14.960 4.192 -21.031 142 HE ARG 17 HE ARG 17 14.101 6.216 -20.370 143 HH11 ARG 17 1HH1 ARG 17 14.523 6.202 -23.826 144 HH12 ARG 17 2HH1 ARG 17 13.668 7.690 -24.067 145 HH21 ARG 17 1HH2 ARG 17 12.973 8.175 -20.675 146 HH22 ARG 17 2HH2 ARG 17 12.788 8.811 -22.274 147 H CYS 18 H CYS 18 18.800 2.355 -19.225 148 HA CYS 18 HA CYS 18 21.504 3.032 -19.804 149 HB2 CYS 18 2HB CYS 18 20.976 3.029 -17.519 150 HB3 CYS 18 3HB CYS 18 20.150 1.479 -17.616 151 HG CYS 18 HG CYS 18 22.195 -0.047 -17.153 152 H GLN 19 H GLN 19 19.631 0.045 -19.916 153 HA GLN 19 HA GLN 19 21.846 -1.648 -20.492 154 HB2 GLN 19 2HB GLN 19 18.880 -2.037 -20.917 155 HB3 GLN 19 3HB GLN 19 20.086 -3.295 -21.152 156 HG2 GLN 19 2HG GLN 19 20.392 -2.094 -18.563 157 HG3 GLN 19 3HG GLN 19 18.733 -2.642 -18.799 158 HE21 GLN 19 1HE2 GLN 19 22.094 -3.623 -18.778 159 HE22 GLN 19 2HE2 GLN 19 21.801 -5.306 -18.519 160 H ALA 20 H ALA 20 19.529 0.131 -22.451 161 HA ALA 20 HA ALA 20 20.461 -1.018 -24.927 162 HB1 ALA 20 1HB ALA 20 18.864 0.388 -26.003 163 HB2 ALA 20 2HB ALA 20 18.109 -0.255 -24.545 164 HB3 ALA 20 3HB ALA 20 18.706 1.404 -24.570 165 H LEU 21 H LEU 21 21.099 1.830 -23.013 166 HA LEU 21 HA LEU 21 22.527 3.587 -23.266 167 HB2 LEU 21 2HB LEU 21 23.985 1.383 -24.697 168 HB3 LEU 21 3HB LEU 21 24.692 2.979 -24.456 169 HG LEU 21 HG LEU 21 23.855 2.178 -21.919 170 HD11 LEU 21 1HD1 LEU 21 23.648 -0.114 -22.995 171 HD12 LEU 21 2HD1 LEU 21 24.662 0.002 -21.557 172 HD13 LEU 21 3HD1 LEU 21 25.404 -0.080 -23.155 173 HD21 LEU 21 3HD2 LEU 21 26.112 2.379 -21.370 174 HD22 LEU 21 1HD2 LEU 21 25.932 3.420 -22.783 175 HD23 LEU 21 2HD2 LEU 21 26.647 1.816 -22.954 176 H GLY 22 H GLY 22 20.408 3.243 -25.287 177 HA2 GLY 22 2HA GLY 22 21.629 4.251 -27.737 178 HA3 GLY 22 3HA GLY 22 19.938 3.829 -27.514 179 H GLY 23 H GLY 23 20.229 5.509 -24.896 180 HA2 GLY 23 2HA GLY 23 18.877 7.767 -25.731 181 HA3 GLY 23 3HA GLY 23 19.812 7.673 -24.246 182 H SER 24 H SER 24 22.005 8.352 -24.261 183 HA SER 24 HA SER 24 23.140 9.546 -26.615 184 HB2 SER 24 2HB SER 24 22.381 11.377 -24.327 185 HB3 SER 24 3HB SER 24 23.209 11.838 -25.814 186 HG SER 24 HG SER 24 21.142 12.307 -26.242 187 H GLU 25 H GLU 25 25.320 10.236 -26.307 188 HA GLU 25 HA GLU 25 26.809 8.636 -24.565 189 HB2 GLU 25 2HB GLU 25 27.790 11.231 -25.744 190 HB3 GLU 25 3HB GLU 25 28.734 9.806 -25.334 191 HG2 GLU 25 2HG GLU 25 27.468 8.573 -27.109 192 HG3 GLU 25 3HG GLU 25 26.776 10.120 -27.591 193 H ALA 26 H ALA 26 25.615 11.922 -24.232 194 HA ALA 26 HA ALA 26 27.038 12.345 -21.742 195 HB1 ALA 26 1HB ALA 26 26.051 14.542 -21.747 196 HB2 ALA 26 2HB ALA 26 26.685 14.187 -23.355 197 HB3 ALA 26 3HB ALA 26 24.951 14.085 -23.048 198 H GLU 27 H GLU 27 23.775 11.604 -22.826 199 HA GLU 27 HA GLU 27 22.310 12.070 -20.541 200 HB2 GLU 27 2HB GLU 27 22.078 10.143 -22.797 201 HB3 GLU 27 3HB GLU 27 21.070 9.862 -21.384 202 HG2 GLU 27 2HG GLU 27 21.141 12.564 -22.645 203 HG3 GLU 27 3HG GLU 27 20.171 11.278 -23.361 204 H CYS 28 H CYS 28 24.462 9.391 -21.267 205 HA CYS 28 HA CYS 28 23.782 7.577 -19.310 206 HB2 CYS 28 2HB CYS 28 26.607 8.271 -20.136 207 HB3 CYS 28 3HB CYS 28 26.058 6.749 -19.445 208 HG CYS 28 HG CYS 28 26.519 6.178 -22.075 209 H ALA 29 H ALA 29 25.919 10.393 -19.018 210 HA ALA 29 HA ALA 29 26.792 10.029 -16.412 211 HB1 ALA 29 1HB ALA 29 26.196 12.620 -17.836 212 HB2 ALA 29 2HB ALA 29 27.148 12.463 -16.359 213 HB3 ALA 29 3HB ALA 29 27.722 11.735 -17.859 214 H ALA 30 H ALA 30 23.979 11.935 -17.502 215 HA ALA 30 HA ALA 30 23.021 12.673 -15.002 216 HB1 ALA 30 1HB ALA 30 21.125 13.399 -16.073 217 HB2 ALA 30 2HB ALA 30 22.257 13.316 -17.424 218 HB3 ALA 30 3HB ALA 30 21.086 12.021 -17.174 219 H PHE 31 H PHE 31 22.593 9.679 -16.791 220 HA PHE 31 HA PHE 31 20.533 8.577 -15.220 221 HB2 PHE 31 2HB PHE 31 22.418 7.624 -17.258 222 HB3 PHE 31 3HB PHE 31 21.949 6.391 -16.092 223 HD1 PHE 31 HD1 PHE 31 19.819 9.180 -17.234 224 HD2 PHE 31 HD2 PHE 31 20.652 5.014 -17.500 225 HE1 PHE 31 HE1 PHE 31 17.708 8.838 -18.453 226 HE2 PHE 31 HE2 PHE 31 18.544 4.666 -18.719 227 HZ PHE 31 HZ PHE 31 17.069 6.579 -19.198 228 H GLU 32 H GLU 32 24.061 8.130 -15.065 229 HA GLU 32 HA GLU 32 24.132 6.390 -12.893 230 HB2 GLU 32 2HB GLU 32 26.115 6.734 -14.181 231 HB3 GLU 32 3HB GLU 32 26.114 8.458 -13.837 232 HG2 GLU 32 2HG GLU 32 26.182 6.960 -11.391 233 HG3 GLU 32 3HG GLU 32 27.478 6.442 -12.468 234 H LYS 33 H LYS 33 24.261 9.938 -12.944 235 HA LYS 33 HA LYS 33 24.571 10.344 -10.195 236 HB2 LYS 33 2HB LYS 33 23.852 11.949 -12.522 237 HB3 LYS 33 3HB LYS 33 23.040 12.488 -11.058 238 HG2 LYS 33 2HG LYS 33 24.906 13.369 -10.225 239 HG3 LYS 33 3HG LYS 33 25.865 11.945 -10.637 240 HD2 LYS 33 2HD LYS 33 26.268 12.727 -12.826 241 HD3 LYS 33 3HD LYS 33 25.010 13.959 -12.702 242 HE2 LYS 33 2HE LYS 33 26.351 15.090 -10.957 243 HE3 LYS 33 3HE LYS 33 27.624 13.894 -11.197 244 HZ1 LYS 33 3HZ LYS 33 26.820 15.093 -13.655 245 HZ2 LYS 33 1HZ LYS 33 28.362 14.980 -12.970 246 HZ3 LYS 33 2HZ LYS 33 27.340 16.258 -12.544 247 H GLU 34 H GLU 34 21.593 10.282 -12.148 248 HA GLU 34 HA GLU 34 19.751 10.753 -10.142 249 HB2 GLU 34 2HB GLU 34 19.673 9.953 -12.834 250 HB3 GLU 34 3HB GLU 34 18.757 8.737 -11.954 251 HG2 GLU 34 2HG GLU 34 18.278 11.698 -11.731 252 HG3 GLU 34 3HG GLU 34 17.399 10.627 -12.821 253 H ILE 35 H ILE 35 21.066 7.630 -11.216 254 HA ILE 35 HA ILE 35 19.615 5.997 -9.473 255 HB ILE 35 HB ILE 35 22.380 5.580 -10.612 256 HG12 ILE 35 2HG1 ILE 35 20.520 5.843 -12.254 257 HG13 ILE 35 3HG1 ILE 35 21.272 4.252 -12.302 258 HG21 ILE 35 1HG2 ILE 35 22.462 3.958 -9.046 259 HG22 ILE 35 2HG2 ILE 35 20.714 3.934 -8.825 260 HG23 ILE 35 3HG2 ILE 35 21.440 3.092 -10.193 261 HD11 ILE 35 3HD1 ILE 35 19.329 3.273 -11.925 262 HD12 ILE 35 1HD1 ILE 35 19.070 4.237 -10.472 263 HD13 ILE 35 2HD1 ILE 35 18.559 4.855 -12.043 264 H ALA 36 H ALA 36 22.783 7.542 -9.058 265 HA ALA 36 HA ALA 36 23.483 6.462 -6.598 266 HB1 ALA 36 1HB ALA 36 24.547 8.925 -6.390 267 HB2 ALA 36 2HB ALA 36 25.237 7.641 -7.384 268 HB3 ALA 36 3HB ALA 36 24.216 8.876 -8.122 269 H ALA 37 H ALA 37 21.620 9.414 -7.282 270 HA ALA 37 HA ALA 37 21.203 10.121 -4.576 271 HB1 ALA 37 1HB ALA 37 20.203 11.000 -7.194 272 HB2 ALA 37 2HB ALA 37 19.101 11.268 -5.843 273 HB3 ALA 37 3HB ALA 37 20.729 11.945 -5.800 274 H PHE 38 H PHE 38 19.457 8.058 -6.815 275 HA PHE 38 HA PHE 38 17.058 7.797 -5.395 276 HB2 PHE 38 2HB PHE 38 18.337 6.520 -7.641 277 HB3 PHE 38 3HB PHE 38 17.572 5.311 -6.615 278 HD1 PHE 38 HD1 PHE 38 16.705 8.752 -7.781 279 HD2 PHE 38 HD2 PHE 38 15.495 4.695 -7.343 280 HE1 PHE 38 HE1 PHE 38 14.522 9.299 -8.776 281 HE2 PHE 38 HE2 PHE 38 13.311 5.236 -8.338 282 HZ PHE 38 HZ PHE 38 12.822 7.540 -9.056 283 H GLU 39 H GLU 39 19.905 5.648 -5.388 284 HA GLU 39 HA GLU 39 18.964 3.961 -3.337 285 HB2 GLU 39 2HB GLU 39 21.305 3.191 -3.174 286 HB3 GLU 39 3HB GLU 39 20.733 3.249 -4.835 287 HG2 GLU 39 2HG GLU 39 21.887 5.397 -5.137 288 HG3 GLU 39 3HG GLU 39 22.499 5.279 -3.489 289 H SER 40 H SER 40 20.958 6.873 -3.291 290 HA SER 40 HA SER 40 21.637 6.762 -0.547 291 HB2 SER 40 2HB SER 40 22.604 8.856 -0.848 292 HB3 SER 40 3HB SER 40 22.627 8.214 -2.491 293 HG SER 40 HG SER 40 20.831 10.089 -1.364 294 H GLU 41 H GLU 41 18.850 7.942 -2.277 295 HA GLU 41 HA GLU 41 17.783 9.394 -0.026 296 HB2 GLU 41 2HB GLU 41 16.922 8.829 -2.817 297 HB3 GLU 41 3HB GLU 41 15.668 9.215 -1.647 298 HG2 GLU 41 2HG GLU 41 18.080 10.958 -1.964 299 HG3 GLU 41 3HG GLU 41 16.685 11.117 -3.029 300 H LEU 42 H LEU 42 17.423 6.218 -1.450 301 HA LEU 42 HA LEU 42 15.096 5.494 0.044 302 HB2 LEU 42 2HB LEU 42 17.124 3.889 -1.493 303 HB3 LEU 42 3HB LEU 42 15.741 3.162 -0.678 304 HG LEU 42 HG LEU 42 15.219 5.338 -2.637 305 HD11 LEU 42 1HD1 LEU 42 16.080 2.548 -3.366 306 HD12 LEU 42 2HD1 LEU 42 16.780 4.075 -3.904 307 HD13 LEU 42 3HD1 LEU 42 15.171 3.603 -4.448 308 HD21 LEU 42 3HD2 LEU 42 13.812 2.719 -2.166 309 HD22 LEU 42 1HD2 LEU 42 13.194 4.153 -2.986 310 HD23 LEU 42 2HD2 LEU 42 13.469 4.183 -1.244 311 H GLN 43 H GLN 43 18.558 5.209 0.517 312 HA GLN 43 HA GLN 43 18.466 3.391 2.687 313 HB2 GLN 43 2HB GLN 43 20.765 3.852 2.989 314 HB3 GLN 43 3HB GLN 43 20.483 3.976 1.258 315 HG2 GLN 43 2HG GLN 43 21.426 5.972 1.306 316 HG3 GLN 43 3HG GLN 43 20.065 6.546 2.268 317 HE21 GLN 43 1HE2 GLN 43 20.652 7.554 4.036 318 HE22 GLN 43 2HE2 GLN 43 22.053 7.220 4.991 319 H ALA 44 H ALA 44 17.774 6.731 2.416 320 HA ALA 44 HA ALA 44 18.312 7.444 5.138 321 HB1 ALA 44 1HB ALA 44 18.122 8.960 3.027 322 HB2 ALA 44 2HB ALA 44 16.402 8.967 3.420 323 HB3 ALA 44 3HB ALA 44 17.577 9.560 4.594 324 H TYR 45 H TYR 45 15.705 5.932 3.471 325 HA TYR 45 HA TYR 45 13.542 6.612 5.107 326 HB2 TYR 45 2HB TYR 45 14.153 4.217 3.396 327 HB3 TYR 45 3HB TYR 45 12.682 4.283 4.360 328 HD1 TYR 45 HD2 TYR 45 11.802 7.028 4.109 329 HD2 TYR 45 HD1 TYR 45 13.556 4.493 1.177 330 HE1 TYR 45 HE2 TYR 45 10.693 8.322 2.335 331 HE2 TYR 45 HE1 TYR 45 12.454 5.780 -0.605 332 HH TYR 45 HH TYR 45 11.279 8.728 -0.286 333 H LYS 46 H LYS 46 15.360 3.542 5.199 334 HA LYS 46 HA LYS 46 15.873 3.548 7.943 335 HB2 LYS 46 2HB LYS 46 13.179 3.162 7.502 336 HB3 LYS 46 3HB LYS 46 13.783 1.517 7.656 337 HG2 LYS 46 2HG LYS 46 14.263 3.707 9.665 338 HG3 LYS 46 3HG LYS 46 12.992 2.487 9.785 339 HD2 LYS 46 2HD LYS 46 15.067 0.860 9.433 340 HD3 LYS 46 3HD LYS 46 15.928 2.226 10.147 341 HE2 LYS 46 2HE LYS 46 13.475 0.981 11.372 342 HE3 LYS 46 3HE LYS 46 15.118 0.485 11.773 343 HZ1 LYS 46 3HZ LYS 46 14.660 2.032 13.391 344 HZ2 LYS 46 1HZ LYS 46 13.754 3.024 12.362 345 HZ3 LYS 46 2HZ LYS 46 15.440 2.993 12.237 346 H GLY 47 H GLY 47 14.961 1.496 5.200 347 HA2 GLY 47 2HA GLY 47 16.195 -0.182 4.187 348 HA3 GLY 47 3HA GLY 47 17.470 0.092 5.366 349 H LYS 48 H LYS 48 16.574 -0.507 7.721 350 HA LYS 48 HA LYS 48 16.235 -3.329 7.668 351 HB2 LYS 48 2HB LYS 48 16.478 -1.236 9.765 352 HB3 LYS 48 3HB LYS 48 15.754 -2.767 10.240 353 HG2 LYS 48 2HG LYS 48 18.392 -2.630 8.818 354 HG3 LYS 48 3HG LYS 48 18.258 -2.504 10.573 355 HD2 LYS 48 2HD LYS 48 17.682 -4.691 10.823 356 HD3 LYS 48 3HD LYS 48 16.845 -4.760 9.270 357 HE2 LYS 48 2HE LYS 48 18.644 -5.967 8.650 358 HE3 LYS 48 3HE LYS 48 19.384 -4.381 8.437 359 HZ1 LYS 48 3HZ LYS 48 19.662 -5.117 11.119 360 HZ2 LYS 48 1HZ LYS 48 20.876 -4.922 9.958 361 HZ3 LYS 48 2HZ LYS 48 20.153 -6.435 10.179 362 H GLY 49 H GLY 49 14.050 -0.672 7.729 363 HA2 GLY 49 2HA GLY 49 11.833 -1.671 9.040 364 HA3 GLY 49 3HA GLY 49 11.755 -0.603 7.647 365 H ASN 50 H ASN 50 12.430 -1.951 5.532 366 HA ASN 50 HA ASN 50 11.146 -4.573 5.566 367 HB2 ASN 50 2HB ASN 50 10.138 -2.163 4.098 368 HB3 ASN 50 3HB ASN 50 9.927 -3.759 3.386 369 HD21 ASN 50 1HD2 ASN 50 8.003 -1.785 4.482 370 HD22 ASN 50 2HD2 ASN 50 7.077 -2.660 5.649 371 HA PRO 51 HA PRO 51 14.201 -5.664 2.612 372 HB2 PRO 51 2HB PRO 51 12.868 -7.431 1.040 373 HB3 PRO 51 3HB PRO 51 13.370 -7.805 2.694 374 HG2 PRO 51 2HG PRO 51 10.690 -6.942 1.676 375 HG3 PRO 51 3HG PRO 51 11.084 -8.198 2.864 376 HD2 PRO 51 2HD PRO 51 10.219 -5.734 3.581 377 HD3 PRO 51 3HD PRO 51 11.353 -6.674 4.572 378 H GLU 52 H GLU 52 11.286 -4.159 1.595 379 HA GLU 52 HA GLU 52 11.462 -4.063 -1.144 380 HB2 GLU 52 2HB GLU 52 10.406 -1.779 -0.948 381 HB3 GLU 52 3HB GLU 52 9.580 -3.070 -0.086 382 HG2 GLU 52 2HG GLU 52 10.786 -2.322 1.983 383 HG3 GLU 52 3HG GLU 52 11.331 -0.918 1.067 384 H VAL 53 H VAL 53 13.066 -1.892 1.172 385 HA VAL 53 HA VAL 53 14.363 -0.242 -0.657 386 HB VAL 53 HB VAL 53 15.312 -1.104 2.079 387 HG11 VAL 53 1HG1 VAL 53 17.151 -0.193 0.783 388 HG12 VAL 53 2HG1 VAL 53 16.180 1.219 0.360 389 HG13 VAL 53 3HG1 VAL 53 16.664 0.949 2.035 390 HG21 VAL 53 3HG2 VAL 53 14.230 0.827 2.929 391 HG22 VAL 53 1HG2 VAL 53 13.904 1.442 1.308 392 HG23 VAL 53 2HG2 VAL 53 13.054 0.013 1.897 393 H GLU 54 H GLU 54 15.165 -3.454 0.466 394 HA GLU 54 HA GLU 54 17.848 -3.520 -0.414 395 HB2 GLU 54 2HB GLU 54 17.842 -5.627 0.383 396 HB3 GLU 54 3HB GLU 54 16.255 -5.209 1.013 397 HG2 GLU 54 2HG GLU 54 15.866 -7.219 -0.039 398 HG3 GLU 54 3HG GLU 54 15.380 -6.047 -1.263 399 H ALA 55 H ALA 55 14.796 -4.008 -2.032 400 HA ALA 55 HA ALA 55 15.851 -5.253 -4.368 401 HB1 ALA 55 1HB ALA 55 13.239 -3.945 -3.701 402 HB2 ALA 55 2HB ALA 55 13.602 -4.472 -5.345 403 HB3 ALA 55 3HB ALA 55 13.582 -5.644 -4.028 404 H LEU 56 H LEU 56 14.672 -1.941 -3.757 405 HA LEU 56 HA LEU 56 15.411 -0.887 -6.246 406 HB2 LEU 56 2HB LEU 56 14.826 0.278 -3.564 407 HB3 LEU 56 3HB LEU 56 15.499 1.313 -4.821 408 HG LEU 56 HG LEU 56 13.584 0.939 -6.229 409 HD11 LEU 56 1HD1 LEU 56 12.946 -1.159 -4.209 410 HD12 LEU 56 2HD1 LEU 56 12.885 -1.233 -5.969 411 HD13 LEU 56 3HD1 LEU 56 11.634 -0.365 -5.080 412 HD21 LEU 56 3HD2 LEU 56 12.747 1.539 -3.393 413 HD22 LEU 56 1HD2 LEU 56 11.829 1.937 -4.846 414 HD23 LEU 56 2HD2 LEU 56 13.394 2.699 -4.556 415 H ARG 57 H ARG 57 17.190 -1.196 -3.220 416 HA ARG 57 HA ARG 57 19.422 0.366 -3.978 417 HB2 ARG 57 2HB ARG 57 18.837 -0.302 -1.634 418 HB3 ARG 57 3HB ARG 57 19.378 -1.931 -2.017 419 HG2 ARG 57 2HG ARG 57 21.279 -1.136 -1.078 420 HG3 ARG 57 3HG ARG 57 21.569 -0.630 -2.743 421 HD2 ARG 57 2HD ARG 57 21.641 1.498 -2.116 422 HD3 ARG 57 3HD ARG 57 20.026 1.371 -1.420 423 HE ARG 57 HE ARG 57 21.551 0.283 0.499 424 HH11 ARG 57 1HH1 ARG 57 21.844 3.243 -1.310 425 HH12 ARG 57 2HH1 ARG 57 22.640 4.099 -0.031 426 HH21 ARG 57 1HH2 ARG 57 22.598 1.399 2.191 427 HH22 ARG 57 2HH2 ARG 57 23.069 3.049 1.960 428 H LYS 58 H LYS 58 18.746 -3.106 -4.172 429 HA LYS 58 HA LYS 58 21.259 -3.917 -5.124 430 HB2 LYS 58 2HB LYS 58 19.483 -5.436 -4.250 431 HB3 LYS 58 3HB LYS 58 18.580 -5.177 -5.736 432 HG2 LYS 58 2HG LYS 58 19.750 -6.729 -6.796 433 HG3 LYS 58 3HG LYS 58 21.278 -5.982 -6.324 434 HD2 LYS 58 2HD LYS 58 19.645 -7.806 -4.560 435 HD3 LYS 58 3HD LYS 58 21.026 -8.323 -5.530 436 HE2 LYS 58 2HE LYS 58 22.275 -6.413 -4.282 437 HE3 LYS 58 3HE LYS 58 20.955 -6.550 -3.121 438 HZ1 LYS 58 3HZ LYS 58 21.612 -9.095 -3.352 439 HZ2 LYS 58 1HZ LYS 58 22.352 -8.065 -2.232 440 HZ3 LYS 58 2HZ LYS 58 23.120 -8.411 -3.699 441 H GLU 59 H GLU 59 18.251 -3.347 -6.960 442 HA GLU 59 HA GLU 59 19.312 -3.672 -9.507 443 HB2 GLU 59 2HB GLU 59 17.060 -1.876 -8.591 444 HB3 GLU 59 3HB GLU 59 17.406 -2.253 -10.273 445 HG2 GLU 59 2HG GLU 59 16.957 -4.596 -9.875 446 HG3 GLU 59 3HG GLU 59 16.696 -4.276 -8.161 447 H ALA 60 H ALA 60 18.896 -0.652 -7.665 448 HA ALA 60 HA ALA 60 19.925 1.138 -9.493 449 HB1 ALA 60 1HB ALA 60 18.969 2.096 -7.608 450 HB2 ALA 60 2HB ALA 60 19.912 1.099 -6.500 451 HB3 ALA 60 3HB ALA 60 20.689 2.414 -7.382 452 H ALA 61 H ALA 61 21.724 -0.611 -6.962 453 HA ALA 61 HA ALA 61 24.260 0.370 -7.512 454 HB1 ALA 61 1HB ALA 61 25.021 -1.912 -6.596 455 HB2 ALA 61 2HB ALA 61 24.067 -0.862 -5.547 456 HB3 ALA 61 3HB ALA 61 23.301 -2.226 -6.363 457 H ALA 62 H ALA 62 22.605 -2.442 -8.912 458 HA ALA 62 HA ALA 62 24.695 -3.388 -10.500 459 HB1 ALA 62 1HB ALA 62 23.197 -4.909 -11.136 460 HB2 ALA 62 2HB ALA 62 22.063 -4.096 -10.058 461 HB3 ALA 62 3HB ALA 62 22.102 -3.681 -11.771 462 H ILE 63 H ILE 63 22.137 -1.045 -11.271 463 HA ILE 63 HA ILE 63 22.832 -0.606 -13.946 464 HB ILE 63 HB ILE 63 21.597 1.354 -12.008 465 HG12 ILE 63 2HG1 ILE 63 19.917 -0.001 -14.010 466 HG13 ILE 63 3HG1 ILE 63 20.583 -1.068 -12.778 467 HG21 ILE 63 1HG2 ILE 63 21.581 2.834 -13.659 468 HG22 ILE 63 2HG2 ILE 63 22.490 1.709 -14.665 469 HG23 ILE 63 3HG2 ILE 63 20.727 1.694 -14.698 470 HD11 ILE 63 3HD1 ILE 63 18.996 -0.427 -11.388 471 HD12 ILE 63 1HD1 ILE 63 19.592 1.231 -11.468 472 HD13 ILE 63 2HD1 ILE 63 18.361 0.681 -12.605 473 H ARG 64 H ARG 64 23.899 1.032 -10.987 474 HA ARG 64 HA ARG 64 25.443 3.031 -12.181 475 HB2 ARG 64 2HB ARG 64 24.943 3.197 -9.854 476 HB3 ARG 64 3HB ARG 64 25.687 1.640 -9.517 477 HG2 ARG 64 2HG ARG 64 27.121 3.412 -8.748 478 HG3 ARG 64 3HG ARG 64 27.881 2.586 -10.110 479 HD2 ARG 64 2HD ARG 64 28.060 4.525 -11.174 480 HD3 ARG 64 3HD ARG 64 26.304 4.687 -11.161 481 HE ARG 64 HE ARG 64 26.541 6.308 -9.583 482 HH11 ARG 64 1HH1 ARG 64 29.367 4.276 -9.501 483 HH12 ARG 64 2HH1 ARG 64 30.180 5.232 -8.307 484 HH21 ARG 64 1HH2 ARG 64 27.602 7.576 -8.011 485 HH22 ARG 64 2HH2 ARG 64 29.175 7.108 -7.459 486 H ASP 65 H ASP 65 26.371 -0.219 -11.087 487 HA ASP 65 HA ASP 65 29.092 -0.062 -11.707 488 HB2 ASP 65 2HB ASP 65 27.190 -2.401 -11.581 489 HB3 ASP 65 3HB ASP 65 28.912 -2.601 -11.896 490 H GLU 66 H GLU 66 26.344 -1.113 -13.686 491 HA GLU 66 HA GLU 66 27.794 -1.933 -15.937 492 HB2 GLU 66 2HB GLU 66 25.029 -0.710 -15.887 493 HB3 GLU 66 3HB GLU 66 25.705 -1.706 -17.168 494 HG2 GLU 66 2HG GLU 66 25.332 -3.626 -16.062 495 HG3 GLU 66 3HG GLU 66 25.699 -2.919 -14.490 496 H CYS 67 H CYS 67 26.341 1.218 -15.166 497 HA CYS 67 HA CYS 67 27.014 2.546 -17.521 498 HB2 CYS 67 2HB CYS 67 26.696 3.585 -14.702 499 HB3 CYS 67 3HB CYS 67 26.896 4.631 -16.103 500 HG CYS 67 HG CYS 67 24.488 4.345 -17.133 501 H GLN 68 H GLN 68 28.863 2.128 -14.532 502 HA GLN 68 HA GLN 68 31.049 3.752 -15.321 503 HB2 GLN 68 2HB GLN 68 30.847 1.545 -13.268 504 HB3 GLN 68 3HB GLN 68 32.257 2.577 -13.467 505 HG2 GLN 68 2HG GLN 68 30.793 4.542 -13.014 506 HG3 GLN 68 3HG GLN 68 29.491 3.414 -12.638 507 HE21 GLN 68 1HE2 GLN 68 31.693 5.329 -11.266 508 HE22 GLN 68 2HE2 GLN 68 31.979 4.480 -9.789 509 H ALA 69 H ALA 69 30.217 0.404 -15.833 510 HA ALA 69 HA ALA 69 32.838 -0.345 -16.770 511 HB1 ALA 69 1HB ALA 69 30.197 -1.795 -16.885 512 HB2 ALA 69 2HB ALA 69 31.749 -2.481 -17.368 513 HB3 ALA 69 3HB ALA 69 31.475 -2.015 -15.689 514 H TYR 70 H TYR 70 30.348 1.426 -18.078 515 HA TYR 70 HA TYR 70 30.866 0.537 -20.824 516 HB2 TYR 70 2HB TYR 70 28.747 2.395 -19.727 517 HB3 TYR 70 3HB TYR 70 28.914 1.942 -21.419 518 HD1 TYR 70 HD2 TYR 70 29.673 -1.001 -20.785 519 HD2 TYR 70 HD1 TYR 70 26.515 1.536 -19.483 520 HE1 TYR 70 HE2 TYR 70 28.255 -2.974 -20.400 521 HE2 TYR 70 HE1 TYR 70 25.089 -0.430 -19.093 522 HH TYR 70 HH TYR 70 26.253 -3.712 -19.797 523 H ARG 71 H ARG 71 31.065 3.348 -18.712 524 HA ARG 71 HA ARG 71 32.855 4.608 -20.668 525 HB2 ARG 71 2HB ARG 71 30.346 5.519 -20.424 526 HB3 ARG 71 3HB ARG 71 31.086 6.402 -19.096 527 HG2 ARG 71 2HG ARG 71 32.762 7.301 -20.665 528 HG3 ARG 71 3HG ARG 71 31.933 6.471 -21.984 529 HD2 ARG 71 2HD ARG 71 30.374 8.060 -22.123 530 HD3 ARG 71 3HD ARG 71 30.112 8.055 -20.379 531 HE ARG 71 HE ARG 71 32.523 9.397 -21.173 532 HH11 ARG 71 1HH1 ARG 71 29.092 9.732 -20.690 533 HH12 ARG 71 2HH1 ARG 71 29.162 11.445 -20.438 534 HH21 ARG 71 1HH2 ARG 71 32.629 11.652 -20.844 535 HH22 ARG 71 2HH2 ARG 71 31.175 12.536 -20.527 536 H HIS 72 H HIS 72 33.705 3.132 -18.500 537 HA HIS 72 HA HIS 72 35.447 4.908 -17.211 538 HB2 HIS 72 2HB HIS 72 32.940 5.002 -16.051 539 HB3 HIS 72 3HB HIS 72 33.810 3.862 -15.027 540 HD1 HIS 72 HD1 HIS 72 36.467 4.984 -14.599 541 HD2 HIS 72 HD2 HIS 72 33.144 7.451 -14.956 542 HE1 HIS 72 HE1 HIS 72 37.116 7.149 -13.496 543 H ASN 73 H ASN 73 35.437 2.358 -18.553 544 HA ASN 73 HA ASN 73 36.880 0.818 -16.530 545 HB2 ASN 73 2HB ASN 73 34.822 -0.325 -16.444 546 HB3 ASN 73 3HB ASN 73 34.575 -0.191 -18.183 547 HD21 ASN 73 1HD2 ASN 73 34.749 -2.061 -19.158 548 HD22 ASN 73 2HD2 ASN 73 35.850 -3.329 -18.753 Start of MODEL 14 1 H1 MET 1 H MET 1 1.329 -1.159 -2.744 2 HA MET 1 HA MET 1 2.249 -0.687 -0.525 3 HB2 MET 1 2HB MET 1 4.512 -1.146 -2.470 4 HB3 MET 1 3HB MET 1 4.451 -1.623 -0.778 5 HG2 MET 1 2HG MET 1 2.567 -3.139 -1.335 6 HG3 MET 1 3HG MET 1 2.798 -2.731 -3.033 7 HE1 MET 1 3HE MET 1 5.266 -2.578 -3.880 8 HE2 MET 1 1HE MET 1 6.392 -3.925 -3.707 9 HE3 MET 1 2HE MET 1 4.871 -4.153 -4.569 10 H GLY 2 H GLY 2 1.683 1.848 -1.209 11 HA2 GLY 2 2HA GLY 2 2.390 3.949 -0.528 12 HA3 GLY 2 3HA GLY 2 3.975 3.270 -0.186 13 H SER 3 H SER 3 5.523 4.157 -1.360 14 HA SER 3 HA SER 3 4.852 5.203 -4.023 15 HB2 SER 3 2HB SER 3 6.931 5.948 -1.987 16 HB3 SER 3 3HB SER 3 7.158 6.372 -3.684 17 HG SER 3 HG SER 3 5.019 7.362 -3.529 18 H TRP 4 H TRP 4 5.427 2.383 -3.398 19 HA TRP 4 HA TRP 4 8.058 1.782 -4.335 20 HB2 TRP 4 2HB TRP 4 7.032 0.162 -2.927 21 HB3 TRP 4 3HB TRP 4 5.581 0.109 -3.925 22 HD1 TRP 4 HD1 TRP 4 5.875 -1.105 -6.387 23 HE1 TRP 4 HE1 TRP 4 7.396 -3.065 -7.071 24 HE3 TRP 4 HE3 TRP 4 9.205 -0.937 -2.513 25 HZ2 TRP 4 HZ2 TRP 4 9.702 -4.369 -6.096 26 HZ3 TRP 4 HZ3 TRP 4 11.040 -2.576 -2.462 27 HH2 TRP 4 HH2 TRP 4 11.281 -4.256 -4.218 28 H ALA 5 H ALA 5 4.829 1.731 -5.805 29 HA ALA 5 HA ALA 5 5.501 0.683 -8.290 30 HB1 ALA 5 1HB ALA 5 3.515 2.664 -8.691 31 HB2 ALA 5 2HB ALA 5 3.312 0.917 -8.548 32 HB3 ALA 5 3HB ALA 5 3.240 1.934 -7.109 33 H GLU 6 H GLU 6 5.435 4.083 -7.246 34 HA GLU 6 HA GLU 6 6.209 5.201 -9.701 35 HB2 GLU 6 2HB GLU 6 5.741 6.114 -7.033 36 HB3 GLU 6 3HB GLU 6 7.258 6.797 -7.600 37 HG2 GLU 6 2HG GLU 6 5.877 8.394 -8.384 38 HG3 GLU 6 3HG GLU 6 5.769 7.286 -9.750 39 H PHE 7 H PHE 7 8.144 4.261 -6.874 40 HA PHE 7 HA PHE 7 10.637 5.048 -7.901 41 HB2 PHE 7 2HB PHE 7 9.662 3.431 -5.654 42 HB3 PHE 7 3HB PHE 7 11.243 2.938 -6.251 43 HD1 PHE 7 HD1 PHE 7 9.317 5.731 -4.818 44 HD2 PHE 7 HD2 PHE 7 13.171 4.267 -5.878 45 HE1 PHE 7 HE1 PHE 7 10.358 7.571 -3.560 46 HE2 PHE 7 HE2 PHE 7 14.218 6.103 -4.620 47 HZ PHE 7 HZ PHE 7 12.812 7.758 -3.458 48 H LYS 8 H LYS 8 8.864 2.001 -8.114 49 HA LYS 8 HA LYS 8 10.903 0.493 -9.347 50 HB2 LYS 8 2HB LYS 8 8.072 0.181 -8.749 51 HB3 LYS 8 3HB LYS 8 8.502 -0.549 -10.290 52 HG2 LYS 8 2HG LYS 8 9.878 -1.112 -7.672 53 HG3 LYS 8 3HG LYS 8 8.635 -2.126 -8.408 54 HD2 LYS 8 2HD LYS 8 11.101 -1.400 -9.942 55 HD3 LYS 8 3HD LYS 8 11.137 -2.716 -8.767 56 HE2 LYS 8 2HE LYS 8 9.148 -3.689 -9.968 57 HE3 LYS 8 3HE LYS 8 9.409 -2.478 -11.222 58 HZ1 LYS 8 3HZ LYS 8 10.468 -4.843 -11.402 59 HZ2 LYS 8 1HZ LYS 8 11.665 -4.168 -10.415 60 HZ3 LYS 8 2HZ LYS 8 11.322 -3.477 -11.920 61 H GLN 9 H GLN 9 8.308 2.502 -10.659 62 HA GLN 9 HA GLN 9 8.690 1.849 -13.371 63 HB2 GLN 9 2HB GLN 9 6.941 3.443 -11.934 64 HB3 GLN 9 3HB GLN 9 7.832 4.600 -12.914 65 HG2 GLN 9 2HG GLN 9 7.030 3.759 -14.888 66 HG3 GLN 9 3HG GLN 9 6.735 2.158 -14.211 67 HE21 GLN 9 1HE2 GLN 9 5.053 4.174 -15.705 68 HE22 GLN 9 2HE2 GLN 9 3.617 4.313 -14.755 69 H ARG 10 H ARG 10 9.847 4.655 -11.500 70 HA ARG 10 HA ARG 10 11.334 5.863 -13.513 71 HB2 ARG 10 2HB ARG 10 11.798 5.821 -10.527 72 HB3 ARG 10 3HB ARG 10 12.655 6.879 -11.639 73 HG2 ARG 10 2HG ARG 10 10.933 8.296 -11.812 74 HG3 ARG 10 3HG ARG 10 9.742 6.995 -11.881 75 HD2 ARG 10 2HD ARG 10 9.162 7.663 -9.826 76 HD3 ARG 10 3HD ARG 10 10.627 6.838 -9.298 77 HE ARG 10 HE ARG 10 11.487 8.872 -8.753 78 HH11 ARG 10 1HH1 ARG 10 8.999 9.336 -11.144 79 HH12 ARG 10 2HH1 ARG 10 9.099 11.066 -11.102 80 HH21 ARG 10 1HH2 ARG 10 11.628 11.148 -8.688 81 HH22 ARG 10 2HH2 ARG 10 10.595 12.095 -9.705 82 H LEU 11 H LEU 11 12.345 3.437 -11.124 83 HA LEU 11 HA LEU 11 15.041 3.300 -11.902 84 HB2 LEU 11 2HB LEU 11 13.364 2.036 -10.037 85 HB3 LEU 11 3HB LEU 11 14.075 0.749 -11.007 86 HG LEU 11 HG LEU 11 16.303 1.480 -10.411 87 HD11 LEU 11 1HD1 LEU 11 16.062 3.290 -8.373 88 HD12 LEU 11 2HD1 LEU 11 14.871 3.868 -9.538 89 HD13 LEU 11 3HD1 LEU 11 16.554 3.665 -10.025 90 HD21 LEU 11 3HD2 LEU 11 16.033 1.269 -7.838 91 HD22 LEU 11 1HD2 LEU 11 15.566 -0.080 -8.873 92 HD23 LEU 11 2HD2 LEU 11 14.332 0.995 -8.215 93 H ALA 12 H ALA 12 12.174 1.588 -13.034 94 HA ALA 12 HA ALA 12 13.468 -0.309 -14.656 95 HB1 ALA 12 1HB ALA 12 10.729 0.749 -14.390 96 HB2 ALA 12 2HB ALA 12 11.128 0.015 -15.944 97 HB3 ALA 12 3HB ALA 12 11.305 -0.917 -14.457 98 H ALA 13 H ALA 13 12.193 2.921 -15.406 99 HA ALA 13 HA ALA 13 12.833 2.877 -18.154 100 HB1 ALA 13 1HB ALA 13 12.655 5.336 -16.427 101 HB2 ALA 13 2HB ALA 13 12.357 5.205 -18.161 102 HB3 ALA 13 3HB ALA 13 11.245 4.456 -17.015 103 H ILE 14 H ILE 14 14.608 4.016 -15.312 104 HA ILE 14 HA ILE 14 16.775 5.168 -16.701 105 HB ILE 14 HB ILE 14 16.655 4.013 -13.914 106 HG12 ILE 14 2HG1 ILE 14 16.756 6.926 -14.634 107 HG13 ILE 14 3HG1 ILE 14 15.223 6.060 -14.664 108 HG21 ILE 14 1HG2 ILE 14 18.898 4.943 -15.467 109 HG22 ILE 14 2HG2 ILE 14 18.662 5.943 -14.035 110 HG23 ILE 14 3HG2 ILE 14 18.870 4.200 -13.868 111 HD11 ILE 14 3HD1 ILE 14 16.570 5.494 -12.215 112 HD12 ILE 14 1HD1 ILE 14 16.512 7.239 -12.466 113 HD13 ILE 14 2HD1 ILE 14 15.021 6.296 -12.478 114 H LYS 15 H LYS 15 16.232 1.914 -15.425 115 HA LYS 15 HA LYS 15 18.814 0.914 -16.020 116 HB2 LYS 15 2HB LYS 15 16.718 -0.030 -14.599 117 HB3 LYS 15 3HB LYS 15 16.532 -0.973 -16.072 118 HG2 LYS 15 2HG LYS 15 19.232 -1.159 -15.500 119 HG3 LYS 15 3HG LYS 15 18.448 -1.249 -13.921 120 HD2 LYS 15 2HD LYS 15 17.446 -2.886 -16.223 121 HD3 LYS 15 3HD LYS 15 18.824 -3.430 -15.263 122 HE2 LYS 15 2HE LYS 15 17.389 -4.268 -13.788 123 HE3 LYS 15 3HE LYS 15 16.876 -2.622 -13.418 124 HZ1 LYS 15 3HZ LYS 15 14.891 -3.225 -14.169 125 HZ2 LYS 15 1HZ LYS 15 15.474 -4.682 -14.801 126 HZ3 LYS 15 2HZ LYS 15 15.552 -3.267 -15.725 127 H THR 16 H THR 16 15.751 0.887 -17.793 128 HA THR 16 HA THR 16 16.548 -0.729 -19.936 129 HB THR 16 HB THR 16 14.546 1.539 -19.939 130 HG1 THR 16 HG1 THR 16 13.323 0.156 -18.919 131 HG21 THR 16 3HG2 THR 16 15.230 0.946 -22.207 132 HG22 THR 16 1HG2 THR 16 13.580 0.412 -21.894 133 HG23 THR 16 2HG2 THR 16 14.903 -0.754 -21.873 134 H ARG 17 H ARG 17 16.528 2.826 -19.672 135 HA ARG 17 HA ARG 17 17.698 3.299 -22.193 136 HB2 ARG 17 2HB ARG 17 17.246 4.903 -19.723 137 HB3 ARG 17 3HB ARG 17 18.391 5.521 -20.906 138 HG2 ARG 17 2HG ARG 17 16.401 6.525 -21.521 139 HG3 ARG 17 3HG ARG 17 16.500 5.142 -22.612 140 HD2 ARG 17 2HD ARG 17 15.142 3.920 -20.767 141 HD3 ARG 17 3HD ARG 17 14.748 5.550 -20.222 142 HE ARG 17 HE ARG 17 14.205 5.534 -22.912 143 HH11 ARG 17 1HH1 ARG 17 13.155 3.719 -20.133 144 HH12 ARG 17 2HH1 ARG 17 11.577 3.401 -20.774 145 HH21 ARG 17 1HH2 ARG 17 12.131 5.121 -23.767 146 HH22 ARG 17 2HH2 ARG 17 10.996 4.198 -22.842 147 H CYS 18 H CYS 18 19.066 2.799 -18.988 148 HA CYS 18 HA CYS 18 21.728 3.503 -19.651 149 HB2 CYS 18 2HB CYS 18 20.435 1.988 -17.415 150 HB3 CYS 18 3HB CYS 18 22.185 1.942 -17.585 151 HG CYS 18 HG CYS 18 20.277 4.738 -17.089 152 H GLN 19 H GLN 19 19.916 0.492 -19.790 153 HA GLN 19 HA GLN 19 22.169 -1.158 -20.374 154 HB2 GLN 19 2HB GLN 19 19.207 -1.605 -20.768 155 HB3 GLN 19 3HB GLN 19 20.434 -2.836 -21.036 156 HG2 GLN 19 2HG GLN 19 20.629 -1.573 -18.420 157 HG3 GLN 19 3HG GLN 19 19.087 -2.383 -18.695 158 HE21 GLN 19 1HE2 GLN 19 19.441 -4.050 -17.291 159 HE22 GLN 19 2HE2 GLN 19 20.630 -5.276 -17.550 160 H ALA 20 H ALA 20 19.663 0.394 -22.338 161 HA ALA 20 HA ALA 20 20.621 -0.666 -24.811 162 HB1 ALA 20 1HB ALA 20 18.596 1.373 -24.020 163 HB2 ALA 20 2HB ALA 20 19.146 1.312 -25.695 164 HB3 ALA 20 3HB ALA 20 18.400 -0.107 -24.960 165 H LEU 21 H LEU 21 21.286 2.189 -22.917 166 HA LEU 21 HA LEU 21 22.731 3.928 -23.181 167 HB2 LEU 21 2HB LEU 21 24.239 2.056 -24.992 168 HB3 LEU 21 3HB LEU 21 24.887 3.410 -24.068 169 HG LEU 21 HG LEU 21 23.618 1.188 -22.557 170 HD11 LEU 21 1HD1 LEU 21 26.447 0.732 -23.050 171 HD12 LEU 21 2HD1 LEU 21 25.459 0.549 -24.499 172 HD13 LEU 21 3HD1 LEU 21 25.096 -0.402 -23.059 173 HD21 LEU 21 3HD2 LEU 21 25.036 1.859 -20.859 174 HD22 LEU 21 1HD2 LEU 21 24.689 3.383 -21.677 175 HD23 LEU 21 2HD2 LEU 21 26.215 2.551 -21.974 176 H GLY 22 H GLY 22 20.535 3.551 -25.164 177 HA2 GLY 22 2HA GLY 22 21.709 4.842 -27.529 178 HA3 GLY 22 3HA GLY 22 20.120 4.097 -27.453 179 H GLY 23 H GLY 23 20.801 5.984 -24.727 180 HA2 GLY 23 2HA GLY 23 18.815 7.927 -25.524 181 HA3 GLY 23 3HA GLY 23 19.605 7.821 -23.958 182 H SER 24 H SER 24 22.123 8.257 -24.228 183 HA SER 24 HA SER 24 23.046 10.028 -26.178 184 HB2 SER 24 2HB SER 24 21.340 11.253 -24.169 185 HB3 SER 24 3HB SER 24 22.956 11.958 -24.164 186 HG SER 24 HG SER 24 21.932 13.087 -25.700 187 H GLU 25 H GLU 25 25.204 10.250 -25.983 188 HA GLU 25 HA GLU 25 26.683 8.753 -24.209 189 HB2 GLU 25 2HB GLU 25 28.624 10.143 -24.884 190 HB3 GLU 25 3HB GLU 25 27.658 9.600 -26.249 191 HG2 GLU 25 2HG GLU 25 27.601 11.702 -26.932 192 HG3 GLU 25 3HG GLU 25 26.563 12.054 -25.552 193 H ALA 26 H ALA 26 25.508 12.036 -23.861 194 HA ALA 26 HA ALA 26 26.992 12.473 -21.409 195 HB1 ALA 26 1HB ALA 26 26.646 14.632 -21.816 196 HB2 ALA 26 2HB ALA 26 25.915 14.144 -23.345 197 HB3 ALA 26 3HB ALA 26 24.901 14.402 -21.926 198 H GLU 27 H GLU 27 23.733 11.651 -22.409 199 HA GLU 27 HA GLU 27 22.288 12.147 -20.118 200 HB2 GLU 27 2HB GLU 27 22.045 10.323 -22.404 201 HB3 GLU 27 3HB GLU 27 21.234 9.754 -20.952 202 HG2 GLU 27 2HG GLU 27 20.806 12.430 -22.260 203 HG3 GLU 27 3HG GLU 27 19.741 11.032 -22.399 204 H CYS 28 H CYS 28 24.573 9.578 -20.758 205 HA CYS 28 HA CYS 28 23.970 7.750 -18.791 206 HB2 CYS 28 2HB CYS 28 26.759 8.622 -19.571 207 HB3 CYS 28 3HB CYS 28 26.304 7.080 -18.856 208 HG CYS 28 HG CYS 28 24.467 6.989 -21.362 209 H ALA 29 H ALA 29 25.883 10.720 -18.492 210 HA ALA 29 HA ALA 29 26.709 10.435 -15.850 211 HB1 ALA 29 1HB ALA 29 27.650 12.407 -16.242 212 HB2 ALA 29 2HB ALA 29 26.849 12.418 -17.813 213 HB3 ALA 29 3HB ALA 29 26.076 13.182 -16.424 214 H ALA 30 H ALA 30 23.828 12.137 -17.083 215 HA ALA 30 HA ALA 30 22.748 12.902 -14.642 216 HB1 ALA 30 1HB ALA 30 20.710 13.273 -15.778 217 HB2 ALA 30 2HB ALA 30 21.989 13.583 -16.954 218 HB3 ALA 30 3HB ALA 30 21.091 12.066 -17.007 219 H PHE 31 H PHE 31 22.537 9.829 -16.340 220 HA PHE 31 HA PHE 31 20.517 8.660 -14.763 221 HB2 PHE 31 2HB PHE 31 22.624 7.643 -16.610 222 HB3 PHE 31 3HB PHE 31 21.838 6.486 -15.541 223 HD1 PHE 31 HD1 PHE 31 19.098 7.309 -15.448 224 HD2 PHE 31 HD2 PHE 31 21.802 7.368 -18.735 225 HE1 PHE 31 HE1 PHE 31 17.201 7.156 -17.008 226 HE2 PHE 31 HE2 PHE 31 19.909 7.217 -20.300 227 HZ PHE 31 HZ PHE 31 17.605 7.111 -19.437 228 H GLU 32 H GLU 32 24.063 8.415 -14.554 229 HA GLU 32 HA GLU 32 24.218 6.739 -12.345 230 HB2 GLU 32 2HB GLU 32 26.007 8.484 -13.804 231 HB3 GLU 32 3HB GLU 32 26.355 8.528 -12.081 232 HG2 GLU 32 2HG GLU 32 26.748 6.198 -12.006 233 HG3 GLU 32 3HG GLU 32 26.091 5.967 -13.625 234 H LYS 33 H LYS 33 24.119 10.289 -12.447 235 HA LYS 33 HA LYS 33 24.321 10.741 -9.693 236 HB2 LYS 33 2HB LYS 33 23.566 12.280 -12.062 237 HB3 LYS 33 3HB LYS 33 22.721 12.798 -10.609 238 HG2 LYS 33 2HG LYS 33 24.534 14.095 -10.345 239 HG3 LYS 33 3HG LYS 33 25.228 12.627 -9.652 240 HD2 LYS 33 2HD LYS 33 26.692 12.409 -11.331 241 HD3 LYS 33 3HD LYS 33 25.461 12.732 -12.554 242 HE2 LYS 33 2HE LYS 33 25.660 15.167 -11.948 243 HE3 LYS 33 3HE LYS 33 27.061 14.733 -10.971 244 HZ1 LYS 33 3HZ LYS 33 27.543 13.572 -13.392 245 HZ2 LYS 33 1HZ LYS 33 28.234 15.007 -12.822 246 HZ3 LYS 33 2HZ LYS 33 26.857 15.063 -13.801 247 H GLU 34 H GLU 34 21.423 10.473 -11.745 248 HA GLU 34 HA GLU 34 19.484 10.877 -9.817 249 HB2 GLU 34 2HB GLU 34 19.553 10.009 -12.490 250 HB3 GLU 34 3HB GLU 34 18.673 8.767 -11.611 251 HG2 GLU 34 2HG GLU 34 17.044 10.306 -10.872 252 HG3 GLU 34 3HG GLU 34 18.013 11.687 -11.384 253 H ILE 35 H ILE 35 21.017 7.814 -10.769 254 HA ILE 35 HA ILE 35 19.602 6.139 -9.035 255 HB ILE 35 HB ILE 35 22.427 5.849 -10.063 256 HG12 ILE 35 2HG1 ILE 35 20.593 6.001 -11.770 257 HG13 ILE 35 3HG1 ILE 35 21.476 4.478 -11.795 258 HG21 ILE 35 1HG2 ILE 35 20.774 4.157 -8.311 259 HG22 ILE 35 2HG2 ILE 35 21.571 3.323 -9.644 260 HG23 ILE 35 3HG2 ILE 35 22.527 4.245 -8.484 261 HD11 ILE 35 3HD1 ILE 35 19.016 4.607 -10.153 262 HD12 ILE 35 1HD1 ILE 35 18.838 4.589 -11.908 263 HD13 ILE 35 2HD1 ILE 35 19.688 3.275 -11.094 264 H ALA 36 H ALA 36 22.661 7.873 -8.559 265 HA ALA 36 HA ALA 36 23.345 6.889 -6.056 266 HB1 ALA 36 1HB ALA 36 23.799 9.765 -6.740 267 HB2 ALA 36 2HB ALA 36 24.861 8.632 -5.905 268 HB3 ALA 36 3HB ALA 36 24.617 8.492 -7.645 269 H ALA 37 H ALA 37 21.333 9.710 -6.857 270 HA ALA 37 HA ALA 37 20.787 10.443 -4.182 271 HB1 ALA 37 1HB ALA 37 18.743 11.575 -5.358 272 HB2 ALA 37 2HB ALA 37 20.380 12.162 -5.651 273 HB3 ALA 37 3HB ALA 37 19.595 11.114 -6.832 274 H PHE 38 H PHE 38 19.206 8.266 -6.446 275 HA PHE 38 HA PHE 38 16.796 7.877 -5.087 276 HB2 PHE 38 2HB PHE 38 18.237 6.610 -7.252 277 HB3 PHE 38 3HB PHE 38 17.456 5.404 -6.235 278 HD1 PHE 38 HD1 PHE 38 16.542 8.792 -7.517 279 HD2 PHE 38 HD2 PHE 38 15.446 4.704 -7.066 280 HE1 PHE 38 HE1 PHE 38 14.397 9.247 -8.633 281 HE2 PHE 38 HE2 PHE 38 13.300 5.153 -8.182 282 HZ PHE 38 HZ PHE 38 12.773 7.426 -8.968 283 H GLU 39 H GLU 39 19.765 5.904 -4.949 284 HA GLU 39 HA GLU 39 18.858 4.203 -2.892 285 HB2 GLU 39 2HB GLU 39 21.250 3.593 -2.637 286 HB3 GLU 39 3HB GLU 39 20.697 3.536 -4.305 287 HG2 GLU 39 2HG GLU 39 21.709 5.749 -4.687 288 HG3 GLU 39 3HG GLU 39 22.323 5.726 -3.034 289 H SER 40 H SER 40 20.657 7.235 -2.856 290 HA SER 40 HA SER 40 21.281 7.215 -0.095 291 HB2 SER 40 2HB SER 40 22.525 8.657 -1.570 292 HB3 SER 40 3HB SER 40 21.056 9.488 -2.080 293 HG SER 40 HG SER 40 22.586 10.305 -0.233 294 H GLU 41 H GLU 41 18.449 8.112 -1.896 295 HA GLU 41 HA GLU 41 17.241 9.572 0.281 296 HB2 GLU 41 2HB GLU 41 16.484 8.856 -2.503 297 HB3 GLU 41 3HB GLU 41 15.174 9.165 -1.372 298 HG2 GLU 41 2HG GLU 41 17.391 11.131 -1.498 299 HG3 GLU 41 3HG GLU 41 16.246 11.080 -2.837 300 H LEU 42 H LEU 42 17.020 6.354 -1.125 301 HA LEU 42 HA LEU 42 14.791 5.535 0.471 302 HB2 LEU 42 2HB LEU 42 16.814 3.857 -1.005 303 HB3 LEU 42 3HB LEU 42 15.266 3.301 -0.372 304 HG LEU 42 HG LEU 42 15.279 5.514 -2.368 305 HD11 LEU 42 1HD1 LEU 42 14.999 3.366 -3.974 306 HD12 LEU 42 2HD1 LEU 42 16.223 2.770 -2.853 307 HD13 LEU 42 3HD1 LEU 42 16.510 4.253 -3.765 308 HD21 LEU 42 3HD2 LEU 42 13.438 3.389 -1.400 309 HD22 LEU 42 1HD2 LEU 42 13.264 3.957 -3.061 310 HD23 LEU 42 2HD2 LEU 42 13.129 5.096 -1.721 311 H GLN 43 H GLN 43 18.252 5.526 0.841 312 HA GLN 43 HA GLN 43 18.354 3.636 2.973 313 HB2 GLN 43 2HB GLN 43 20.633 4.127 3.117 314 HB3 GLN 43 3HB GLN 43 20.261 4.412 1.422 315 HG2 GLN 43 2HG GLN 43 21.293 6.361 1.702 316 HG3 GLN 43 3HG GLN 43 19.822 6.870 2.529 317 HE21 GLN 43 1HE2 GLN 43 22.389 7.927 3.000 318 HE22 GLN 43 2HE2 GLN 43 22.834 7.549 4.626 319 H ALA 44 H ALA 44 17.537 6.962 2.754 320 HA ALA 44 HA ALA 44 18.171 7.723 5.423 321 HB1 ALA 44 1HB ALA 44 17.690 9.197 3.339 322 HB2 ALA 44 2HB ALA 44 16.007 9.047 3.844 323 HB3 ALA 44 3HB ALA 44 17.195 9.758 4.936 324 H TYR 45 H TYR 45 15.428 6.191 3.901 325 HA TYR 45 HA TYR 45 13.415 6.638 5.733 326 HB2 TYR 45 2HB TYR 45 14.059 4.223 4.049 327 HB3 TYR 45 3HB TYR 45 12.620 4.296 5.059 328 HD1 TYR 45 HD1 TYR 45 11.615 6.967 4.726 329 HD2 TYR 45 HD2 TYR 45 13.425 4.421 1.837 330 HE1 TYR 45 HE1 TYR 45 10.415 8.154 2.937 331 HE2 TYR 45 HE2 TYR 45 12.230 5.602 0.040 332 HH TYR 45 HH TYR 45 9.634 7.519 0.510 333 H LYS 46 H LYS 46 15.598 3.813 5.722 334 HA LYS 46 HA LYS 46 16.382 2.490 7.397 335 HB2 LYS 46 2HB LYS 46 15.644 4.744 9.266 336 HB3 LYS 46 3HB LYS 46 16.830 3.476 9.545 337 HG2 LYS 46 2HG LYS 46 17.612 4.738 7.173 338 HG3 LYS 46 3HG LYS 46 17.155 6.031 8.285 339 HD2 LYS 46 2HD LYS 46 18.787 5.470 9.817 340 HD3 LYS 46 3HD LYS 46 18.881 3.797 9.261 341 HE2 LYS 46 2HE LYS 46 20.469 4.280 7.767 342 HE3 LYS 46 3HE LYS 46 19.604 5.704 7.190 343 HZ1 LYS 46 3HZ LYS 46 21.741 5.502 9.127 344 HZ2 LYS 46 1HZ LYS 46 20.479 6.533 9.581 345 HZ3 LYS 46 2HZ LYS 46 21.303 6.795 8.128 346 H GLY 47 H GLY 47 14.202 1.446 6.728 347 HA2 GLY 47 2HA GLY 47 12.215 1.494 8.863 348 HA3 GLY 47 3HA GLY 47 12.071 0.657 7.325 349 H LYS 48 H LYS 48 11.293 -1.156 8.568 350 HA LYS 48 HA LYS 48 12.960 -2.462 10.475 351 HB2 LYS 48 2HB LYS 48 10.597 -3.502 8.900 352 HB3 LYS 48 3HB LYS 48 11.348 -4.331 10.258 353 HG2 LYS 48 2HG LYS 48 10.798 -2.295 11.645 354 HG3 LYS 48 3HG LYS 48 9.815 -1.748 10.285 355 HD2 LYS 48 2HD LYS 48 8.927 -4.293 10.567 356 HD3 LYS 48 3HD LYS 48 9.323 -3.893 12.240 357 HE2 LYS 48 2HE LYS 48 8.021 -1.648 11.486 358 HE3 LYS 48 3HE LYS 48 7.201 -2.844 10.484 359 HZ1 LYS 48 3HZ LYS 48 5.991 -2.785 12.459 360 HZ2 LYS 48 1HZ LYS 48 7.373 -2.731 13.433 361 HZ3 LYS 48 2HZ LYS 48 6.962 -4.160 12.628 362 H GLY 49 H GLY 49 14.966 -2.534 9.270 363 HA2 GLY 49 2HA GLY 49 16.542 -3.972 8.337 364 HA3 GLY 49 3HA GLY 49 15.237 -5.046 7.856 365 H ASN 50 H ASN 50 14.209 -2.170 6.807 366 HA ASN 50 HA ASN 50 13.963 -1.288 4.718 367 HB2 ASN 50 2HB ASN 50 16.955 -1.699 4.814 368 HB3 ASN 50 3HB ASN 50 16.140 -0.801 3.537 369 HD21 ASN 50 1HD2 ASN 50 16.474 1.275 3.835 370 HD22 ASN 50 2HD2 ASN 50 16.366 2.119 5.339 371 HA PRO 51 HA PRO 51 14.189 -5.553 2.770 372 HB2 PRO 51 2HB PRO 51 11.506 -5.890 2.528 373 HB3 PRO 51 3HB PRO 51 12.409 -6.371 3.969 374 HG2 PRO 51 2HG PRO 51 10.782 -3.905 3.489 375 HG3 PRO 51 3HG PRO 51 10.848 -4.939 4.928 376 HD2 PRO 51 2HD PRO 51 12.180 -2.587 4.761 377 HD3 PRO 51 3HD PRO 51 12.795 -3.970 5.689 378 H GLU 52 H GLU 52 11.765 -3.023 2.079 379 HA GLU 52 HA GLU 52 11.528 -3.567 -0.663 380 HB2 GLU 52 2HB GLU 52 10.647 -1.198 -0.789 381 HB3 GLU 52 3HB GLU 52 9.831 -2.258 0.351 382 HG2 GLU 52 2HG GLU 52 10.910 -1.242 2.202 383 HG3 GLU 52 3HG GLU 52 12.007 -0.348 1.150 384 H VAL 53 H VAL 53 13.939 -1.875 1.138 385 HA VAL 53 HA VAL 53 14.994 -0.330 -1.018 386 HB VAL 53 HB VAL 53 16.342 -1.184 1.549 387 HG11 VAL 53 1HG1 VAL 53 17.051 0.900 -0.508 388 HG12 VAL 53 2HG1 VAL 53 17.759 0.837 1.107 389 HG13 VAL 53 3HG1 VAL 53 18.004 -0.500 -0.017 390 HG21 VAL 53 3HG2 VAL 53 14.478 1.034 0.864 391 HG22 VAL 53 1HG2 VAL 53 14.599 0.074 2.338 392 HG23 VAL 53 2HG2 VAL 53 15.774 1.349 2.017 393 H GLU 54 H GLU 54 15.267 -3.614 -0.062 394 HA GLU 54 HA GLU 54 17.811 -4.272 -1.012 395 HB2 GLU 54 2HB GLU 54 17.170 -6.496 -0.829 396 HB3 GLU 54 3HB GLU 54 16.080 -5.697 0.296 397 HG2 GLU 54 2HG GLU 54 14.410 -5.624 -1.616 398 HG3 GLU 54 3HG GLU 54 15.480 -6.754 -2.444 399 H ALA 55 H ALA 55 14.731 -3.958 -2.690 400 HA ALA 55 HA ALA 55 15.662 -4.981 -5.182 401 HB1 ALA 55 1HB ALA 55 13.286 -3.212 -4.613 402 HB2 ALA 55 2HB ALA 55 13.574 -4.125 -6.095 403 HB3 ALA 55 3HB ALA 55 13.289 -4.976 -4.576 404 H LEU 56 H LEU 56 14.895 -1.663 -4.111 405 HA LEU 56 HA LEU 56 15.796 -0.344 -6.394 406 HB2 LEU 56 2HB LEU 56 15.984 0.740 -3.594 407 HB3 LEU 56 3HB LEU 56 15.807 1.650 -5.092 408 HG LEU 56 HG LEU 56 13.616 -0.222 -4.576 409 HD11 LEU 56 1HD1 LEU 56 14.536 1.518 -2.447 410 HD12 LEU 56 2HD1 LEU 56 13.309 0.251 -2.424 411 HD13 LEU 56 3HD1 LEU 56 12.883 1.882 -2.944 412 HD21 LEU 56 3HD2 LEU 56 12.507 2.202 -4.882 413 HD22 LEU 56 1HD2 LEU 56 13.039 1.201 -6.233 414 HD23 LEU 56 2HD2 LEU 56 14.076 2.496 -5.634 415 H ARG 57 H ARG 57 17.545 -1.379 -3.511 416 HA ARG 57 HA ARG 57 19.983 -0.078 -4.127 417 HB2 ARG 57 2HB ARG 57 19.565 -0.808 -1.873 418 HB3 ARG 57 3HB ARG 57 19.369 -2.475 -2.396 419 HG2 ARG 57 2HG ARG 57 21.955 -1.164 -2.993 420 HG3 ARG 57 3HG ARG 57 21.613 -1.568 -1.310 421 HD2 ARG 57 2HD ARG 57 21.882 -3.761 -1.670 422 HD3 ARG 57 3HD ARG 57 20.953 -3.716 -3.168 423 HE ARG 57 HE ARG 57 23.369 -2.537 -3.753 424 HH11 ARG 57 1HH1 ARG 57 22.287 -5.630 -2.577 425 HH12 ARG 57 2HH1 ARG 57 23.607 -6.505 -3.278 426 HH21 ARG 57 1HH2 ARG 57 25.112 -3.678 -4.682 427 HH22 ARG 57 2HH2 ARG 57 25.214 -5.394 -4.475 428 H LYS 58 H LYS 58 18.780 -3.354 -4.745 429 HA LYS 58 HA LYS 58 21.128 -4.379 -5.901 430 HB2 LYS 58 2HB LYS 58 18.322 -5.179 -5.680 431 HB3 LYS 58 3HB LYS 58 19.083 -5.730 -7.167 432 HG2 LYS 58 2HG LYS 58 20.952 -6.306 -5.210 433 HG3 LYS 58 3HG LYS 58 19.402 -6.688 -4.456 434 HD2 LYS 58 2HD LYS 58 20.165 -8.663 -5.550 435 HD3 LYS 58 3HD LYS 58 18.836 -8.011 -6.512 436 HE2 LYS 58 2HE LYS 58 20.151 -7.815 -8.295 437 HE3 LYS 58 3HE LYS 58 21.336 -6.888 -7.376 438 HZ1 LYS 58 3HZ LYS 58 21.971 -9.167 -8.426 439 HZ2 LYS 58 1HZ LYS 58 21.239 -9.803 -7.039 440 HZ3 LYS 58 2HZ LYS 58 22.553 -8.748 -6.893 441 H GLU 59 H GLU 59 18.159 -3.248 -7.532 442 HA GLU 59 HA GLU 59 19.109 -3.361 -10.135 443 HB2 GLU 59 2HB GLU 59 17.129 -1.404 -8.955 444 HB3 GLU 59 3HB GLU 59 17.350 -1.706 -10.673 445 HG2 GLU 59 2HG GLU 59 16.674 -3.948 -8.818 446 HG3 GLU 59 3HG GLU 59 15.418 -2.866 -9.418 447 H ALA 60 H ALA 60 19.099 -0.567 -7.926 448 HA ALA 60 HA ALA 60 20.274 1.316 -9.559 449 HB1 ALA 60 1HB ALA 60 19.488 2.096 -7.509 450 HB2 ALA 60 2HB ALA 60 20.394 0.889 -6.594 451 HB3 ALA 60 3HB ALA 60 21.241 2.233 -7.362 452 H ALA 61 H ALA 61 21.949 -0.919 -7.342 453 HA ALA 61 HA ALA 61 24.559 -0.171 -7.911 454 HB1 ALA 61 1HB ALA 61 25.241 -2.116 -6.841 455 HB2 ALA 61 2HB ALA 61 23.648 -1.813 -6.145 456 HB3 ALA 61 3HB ALA 61 23.843 -3.034 -7.404 457 H ALA 62 H ALA 62 22.524 -2.584 -9.533 458 HA ALA 62 HA ALA 62 24.438 -3.559 -11.326 459 HB1 ALA 62 1HB ALA 62 21.481 -3.311 -11.854 460 HB2 ALA 62 2HB ALA 62 22.609 -4.455 -12.584 461 HB3 ALA 62 3HB ALA 62 22.211 -4.581 -10.870 462 H ILE 63 H ILE 63 22.135 -0.878 -11.653 463 HA ILE 63 HA ILE 63 22.713 -0.212 -14.311 464 HB ILE 63 HB ILE 63 21.801 1.585 -12.062 465 HG12 ILE 63 2HG1 ILE 63 20.207 0.255 -14.262 466 HG13 ILE 63 3HG1 ILE 63 20.327 -0.357 -12.616 467 HG21 ILE 63 1HG2 ILE 63 20.838 2.704 -14.339 468 HG22 ILE 63 2HG2 ILE 63 22.311 3.218 -13.517 469 HG23 ILE 63 3HG2 ILE 63 22.406 2.110 -14.885 470 HD11 ILE 63 3HD1 ILE 63 18.915 1.194 -11.795 471 HD12 ILE 63 1HD1 ILE 63 19.460 2.445 -12.912 472 HD13 ILE 63 2HD1 ILE 63 18.336 1.201 -13.461 473 H ARG 64 H ARG 64 24.131 0.961 -11.278 474 HA ARG 64 HA ARG 64 25.848 2.874 -12.396 475 HB2 ARG 64 2HB ARG 64 25.219 2.313 -9.897 476 HB3 ARG 64 3HB ARG 64 26.673 1.326 -9.976 477 HG2 ARG 64 2HG ARG 64 27.680 3.575 -10.965 478 HG3 ARG 64 3HG ARG 64 26.369 4.270 -10.009 479 HD2 ARG 64 2HD ARG 64 27.781 2.226 -8.533 480 HD3 ARG 64 3HD ARG 64 28.883 3.480 -9.101 481 HE ARG 64 HE ARG 64 26.891 3.730 -7.061 482 HH11 ARG 64 1HH1 ARG 64 28.679 5.456 -9.499 483 HH12 ARG 64 2HH1 ARG 64 28.529 6.990 -8.708 484 HH21 ARG 64 1HH2 ARG 64 26.687 5.745 -6.010 485 HH22 ARG 64 2HH2 ARG 64 27.397 7.153 -6.723 486 H ASP 65 H ASP 65 26.378 -0.550 -11.635 487 HA ASP 65 HA ASP 65 29.082 -0.686 -12.327 488 HB2 ASP 65 2HB ASP 65 26.880 -2.742 -12.322 489 HB3 ASP 65 3HB ASP 65 28.528 -3.154 -12.788 490 H GLU 66 H GLU 66 26.181 -1.188 -14.306 491 HA GLU 66 HA GLU 66 27.479 -1.938 -16.673 492 HB2 GLU 66 2HB GLU 66 24.879 -0.415 -16.441 493 HB3 GLU 66 3HB GLU 66 25.406 -1.392 -17.804 494 HG2 GLU 66 2HG GLU 66 25.419 -2.918 -15.355 495 HG3 GLU 66 3HG GLU 66 23.837 -2.205 -15.667 496 H CYS 67 H CYS 67 26.313 1.262 -15.635 497 HA CYS 67 HA CYS 67 27.190 2.696 -17.866 498 HB2 CYS 67 2HB CYS 67 26.933 3.649 -15.006 499 HB3 CYS 67 3HB CYS 67 27.043 4.688 -16.422 500 HG CYS 67 HG CYS 67 24.586 2.615 -16.943 501 H GLN 68 H GLN 68 28.893 1.626 -15.004 502 HA GLN 68 HA GLN 68 31.227 3.225 -15.505 503 HB2 GLN 68 2HB GLN 68 30.744 0.894 -13.645 504 HB3 GLN 68 3HB GLN 68 32.242 1.814 -13.703 505 HG2 GLN 68 2HG GLN 68 30.072 3.631 -13.425 506 HG3 GLN 68 3HG GLN 68 29.903 2.354 -12.221 507 HE21 GLN 68 1HE2 GLN 68 30.976 5.327 -12.520 508 HE22 GLN 68 2HE2 GLN 68 32.335 5.311 -11.454 509 H ALA 69 H ALA 69 30.071 0.106 -16.455 510 HA ALA 69 HA ALA 69 32.689 -0.797 -17.342 511 HB1 ALA 69 1HB ALA 69 29.961 -2.043 -17.303 512 HB2 ALA 69 2HB ALA 69 31.295 -2.770 -18.200 513 HB3 ALA 69 3HB ALA 69 31.423 -2.547 -16.455 514 H TYR 70 H TYR 70 30.404 1.256 -18.527 515 HA TYR 70 HA TYR 70 30.981 0.543 -21.327 516 HB2 TYR 70 2HB TYR 70 28.664 2.110 -20.176 517 HB3 TYR 70 3HB TYR 70 28.952 1.865 -21.895 518 HD1 TYR 70 HD1 TYR 70 29.845 -1.020 -21.768 519 HD2 TYR 70 HD2 TYR 70 26.589 1.012 -19.931 520 HE1 TYR 70 HE1 TYR 70 28.585 -3.131 -21.680 521 HE2 TYR 70 HE2 TYR 70 25.321 -1.094 -19.837 522 HH TYR 70 HH TYR 70 25.556 -3.455 -21.441 523 H ARG 71 H ARG 71 32.502 2.221 -19.291 524 HA ARG 71 HA ARG 71 33.586 4.097 -21.025 525 HB2 ARG 71 2HB ARG 71 31.102 4.966 -19.963 526 HB3 ARG 71 3HB ARG 71 32.362 5.915 -19.186 527 HG2 ARG 71 2HG ARG 71 33.165 6.713 -21.272 528 HG3 ARG 71 3HG ARG 71 32.158 5.572 -22.165 529 HD2 ARG 71 2HD ARG 71 30.388 6.929 -22.089 530 HD3 ARG 71 3HD ARG 71 30.604 7.236 -20.366 531 HE ARG 71 HE ARG 71 32.469 8.634 -22.059 532 HH11 ARG 71 1HH1 ARG 71 29.337 8.714 -20.539 533 HH12 ARG 71 2HH1 ARG 71 29.225 10.443 -20.563 534 HH21 ARG 71 1HH2 ARG 71 32.333 10.911 -22.096 535 HH22 ARG 71 2HH2 ARG 71 30.929 11.692 -21.450 536 H HIS 72 H HIS 72 32.756 3.395 -17.671 537 HA HIS 72 HA HIS 72 35.196 4.635 -16.698 538 HB2 HIS 72 2HB HIS 72 32.778 4.442 -15.562 539 HB3 HIS 72 3HB HIS 72 33.500 2.977 -14.904 540 HD1 HIS 72 HD1 HIS 72 34.630 3.325 -12.743 541 HD2 HIS 72 HD2 HIS 72 34.636 6.779 -15.052 542 HE1 HIS 72 HE1 HIS 72 35.740 5.080 -11.324 543 H ASN 73 H ASN 73 34.833 1.994 -18.360 544 HA ASN 73 HA ASN 73 36.633 0.376 -16.678 545 HB2 ASN 73 2HB ASN 73 34.649 -0.891 -16.917 546 HB3 ASN 73 3HB ASN 73 34.486 -0.465 -18.619 547 HD21 ASN 73 1HD2 ASN 73 36.329 -2.345 -16.309 548 HD22 ASN 73 2HD2 ASN 73 36.940 -3.493 -17.446 Start of MODEL 15 1 H1 MET 1 H MET 1 1.791 1.123 1.168 2 HA MET 1 HA MET 1 2.983 -0.296 -1.069 3 HB2 MET 1 2HB MET 1 0.773 1.720 -1.365 4 HB3 MET 1 3HB MET 1 1.960 1.484 -2.641 5 HG2 MET 1 2HG MET 1 0.726 -0.174 -3.413 6 HG3 MET 1 3HG MET 1 1.082 -1.076 -1.942 7 HE1 MET 1 3HE MET 1 -1.854 -2.067 -0.800 8 HE2 MET 1 1HE MET 1 -0.158 -1.746 -0.436 9 HE3 MET 1 2HE MET 1 -1.423 -0.818 0.370 10 H GLY 2 H GLY 2 2.260 2.934 0.257 11 HA2 GLY 2 2HA GLY 2 3.645 4.715 0.694 12 HA3 GLY 2 3HA GLY 2 4.994 3.594 0.595 13 H SER 3 H SER 3 6.283 5.116 -0.482 14 HA SER 3 HA SER 3 5.380 6.012 -3.115 15 HB2 SER 3 2HB SER 3 7.297 7.511 -3.077 16 HB3 SER 3 3HB SER 3 6.405 7.662 -1.563 17 HG SER 3 HG SER 3 8.927 6.572 -2.051 18 H TRP 4 H TRP 4 6.126 3.213 -2.511 19 HA TRP 4 HA TRP 4 8.666 2.710 -3.724 20 HB2 TRP 4 2HB TRP 4 7.883 1.079 -2.178 21 HB3 TRP 4 3HB TRP 4 6.334 0.935 -3.005 22 HD1 TRP 4 HD1 TRP 4 6.337 -0.424 -5.364 23 HE1 TRP 4 HE1 TRP 4 7.893 -2.288 -6.217 24 HE3 TRP 4 HE3 TRP 4 10.239 0.232 -2.126 25 HZ2 TRP 4 HZ2 TRP 4 10.438 -3.342 -5.598 26 HZ3 TRP 4 HZ3 TRP 4 12.196 -1.247 -2.323 27 HH2 TRP 4 HH2 TRP 4 12.291 -2.996 -4.023 28 H ALA 5 H ALA 5 5.297 2.449 -4.812 29 HA ALA 5 HA ALA 5 5.660 1.353 -7.311 30 HB1 ALA 5 1HB ALA 5 3.659 3.048 -7.858 31 HB2 ALA 5 2HB ALA 5 3.446 1.577 -6.907 32 HB3 ALA 5 3HB ALA 5 3.639 3.131 -6.096 33 H GLU 6 H GLU 6 5.748 4.810 -6.456 34 HA GLU 6 HA GLU 6 6.262 5.815 -9.004 35 HB2 GLU 6 2HB GLU 6 6.892 6.818 -6.243 36 HB3 GLU 6 3HB GLU 6 7.420 7.709 -7.664 37 HG2 GLU 6 2HG GLU 6 5.451 8.724 -7.598 38 HG3 GLU 6 3HG GLU 6 4.763 7.211 -8.183 39 H PHE 7 H PHE 7 8.589 5.027 -6.422 40 HA PHE 7 HA PHE 7 10.914 5.605 -7.850 41 HB2 PHE 7 2HB PHE 7 10.229 4.086 -5.421 42 HB3 PHE 7 3HB PHE 7 11.715 3.571 -6.213 43 HD1 PHE 7 HD1 PHE 7 9.993 6.425 -4.642 44 HD2 PHE 7 HD2 PHE 7 13.676 4.891 -6.126 45 HE1 PHE 7 HE1 PHE 7 11.193 8.302 -3.595 46 HE2 PHE 7 HE2 PHE 7 14.881 6.765 -5.081 47 HZ PHE 7 HZ PHE 7 13.640 8.472 -3.813 48 H LYS 8 H LYS 8 8.911 2.727 -7.798 49 HA LYS 8 HA LYS 8 10.703 1.005 -9.146 50 HB2 LYS 8 2HB LYS 8 8.483 0.499 -7.854 51 HB3 LYS 8 3HB LYS 8 7.730 0.750 -9.423 52 HG2 LYS 8 2HG LYS 8 8.064 -1.543 -9.331 53 HG3 LYS 8 3HG LYS 8 9.428 -0.966 -10.291 54 HD2 LYS 8 2HD LYS 8 10.551 -0.830 -7.881 55 HD3 LYS 8 3HD LYS 8 9.371 -2.099 -7.548 56 HE2 LYS 8 2HE LYS 8 10.261 -3.492 -9.247 57 HE3 LYS 8 3HE LYS 8 11.236 -2.180 -9.908 58 HZ1 LYS 8 3HZ LYS 8 12.417 -2.181 -7.699 59 HZ2 LYS 8 1HZ LYS 8 12.697 -3.527 -8.686 60 HZ3 LYS 8 2HZ LYS 8 11.642 -3.648 -7.370 61 H GLN 9 H GLN 9 8.079 3.096 -10.295 62 HA GLN 9 HA GLN 9 8.235 2.371 -13.009 63 HB2 GLN 9 2HB GLN 9 6.522 3.872 -11.598 64 HB3 GLN 9 3HB GLN 9 7.479 5.159 -12.320 65 HG2 GLN 9 2HG GLN 9 6.751 4.712 -14.430 66 HG3 GLN 9 3HG GLN 9 6.487 3.001 -14.096 67 HE21 GLN 9 1HE2 GLN 9 4.812 5.275 -15.223 68 HE22 GLN 9 2HE2 GLN 9 3.325 5.162 -14.351 69 H ARG 10 H ARG 10 9.483 5.311 -11.413 70 HA ARG 10 HA ARG 10 10.892 6.338 -13.562 71 HB2 ARG 10 2HB ARG 10 11.565 6.509 -10.619 72 HB3 ARG 10 3HB ARG 10 12.273 7.522 -11.870 73 HG2 ARG 10 2HG ARG 10 10.555 8.919 -11.809 74 HG3 ARG 10 3HG ARG 10 9.399 7.600 -12.003 75 HD2 ARG 10 2HD ARG 10 10.127 7.228 -9.434 76 HD3 ARG 10 3HD ARG 10 10.325 8.975 -9.564 77 HE ARG 10 HE ARG 10 7.857 7.506 -9.558 78 HH11 ARG 10 1HH1 ARG 10 9.430 10.446 -10.560 79 HH12 ARG 10 2HH1 ARG 10 7.963 11.365 -10.619 80 HH21 ARG 10 1HH2 ARG 10 5.918 8.705 -9.633 81 HH22 ARG 10 2HH2 ARG 10 5.966 10.374 -10.091 82 H LEU 11 H LEU 11 12.021 4.097 -11.048 83 HA LEU 11 HA LEU 11 14.675 3.885 -11.920 84 HB2 LEU 11 2HB LEU 11 14.178 3.068 -9.777 85 HB3 LEU 11 3HB LEU 11 12.870 2.050 -10.378 86 HG LEU 11 HG LEU 11 15.585 1.411 -11.360 87 HD11 LEU 11 1HD1 LEU 11 16.539 1.294 -9.359 88 HD12 LEU 11 2HD1 LEU 11 15.399 0.009 -8.965 89 HD13 LEU 11 3HD1 LEU 11 15.023 1.679 -8.543 90 HD21 LEU 11 3HD2 LEU 11 14.490 -0.885 -10.510 91 HD22 LEU 11 1HD2 LEU 11 14.159 -0.182 -12.093 92 HD23 LEU 11 2HD2 LEU 11 13.025 0.064 -10.765 93 H ALA 12 H ALA 12 11.766 2.128 -12.865 94 HA ALA 12 HA ALA 12 12.993 0.142 -14.426 95 HB1 ALA 12 1HB ALA 12 10.809 -0.172 -15.447 96 HB2 ALA 12 2HB ALA 12 10.653 0.037 -13.703 97 HB3 ALA 12 3HB ALA 12 10.263 1.371 -14.789 98 H ALA 13 H ALA 13 11.729 3.342 -15.309 99 HA ALA 13 HA ALA 13 12.257 3.163 -18.066 100 HB1 ALA 13 1HB ALA 13 12.507 5.861 -17.337 101 HB2 ALA 13 2HB ALA 13 11.079 5.040 -17.967 102 HB3 ALA 13 3HB ALA 13 11.332 5.157 -16.226 103 H ILE 14 H ILE 14 14.200 4.414 -15.377 104 HA ILE 14 HA ILE 14 16.338 5.400 -16.909 105 HB ILE 14 HB ILE 14 16.337 4.346 -14.079 106 HG12 ILE 14 2HG1 ILE 14 14.853 6.310 -14.595 107 HG13 ILE 14 3HG1 ILE 14 16.106 6.636 -13.402 108 HG21 ILE 14 1HG2 ILE 14 18.424 5.628 -13.812 109 HG22 ILE 14 2HG2 ILE 14 18.586 4.307 -14.967 110 HG23 ILE 14 3HG2 ILE 14 18.417 5.965 -15.543 111 HD11 ILE 14 3HD1 ILE 14 17.239 8.051 -14.779 112 HD12 ILE 14 1HD1 ILE 14 16.680 7.252 -16.248 113 HD13 ILE 14 2HD1 ILE 14 15.593 8.314 -15.353 114 H LYS 15 H LYS 15 15.767 2.223 -15.456 115 HA LYS 15 HA LYS 15 18.270 1.102 -16.134 116 HB2 LYS 15 2HB LYS 15 16.173 0.288 -14.618 117 HB3 LYS 15 3HB LYS 15 15.941 -0.715 -16.044 118 HG2 LYS 15 2HG LYS 15 18.613 -1.008 -15.580 119 HG3 LYS 15 3HG LYS 15 17.965 -0.868 -13.944 120 HD2 LYS 15 2HD LYS 15 17.981 -3.187 -14.553 121 HD3 LYS 15 3HD LYS 15 16.305 -2.636 -14.522 122 HE2 LYS 15 2HE LYS 15 16.985 -2.149 -17.110 123 HE3 LYS 15 3HE LYS 15 17.947 -3.586 -16.765 124 HZ1 LYS 15 3HZ LYS 15 15.449 -4.082 -15.710 125 HZ2 LYS 15 1HZ LYS 15 16.116 -4.761 -17.109 126 HZ3 LYS 15 2HZ LYS 15 15.156 -3.372 -17.217 127 H THR 16 H THR 16 15.143 1.146 -17.790 128 HA THR 16 HA THR 16 15.764 -0.578 -19.897 129 HB THR 16 HB THR 16 13.917 1.817 -19.924 130 HG1 THR 16 HG1 THR 16 12.353 0.011 -19.652 131 HG21 THR 16 3HG2 THR 16 13.555 1.388 -22.079 132 HG22 THR 16 1HG2 THR 16 13.054 -0.250 -21.661 133 HG23 THR 16 2HG2 THR 16 14.744 0.086 -22.035 134 H ARG 17 H ARG 17 15.879 2.990 -19.867 135 HA ARG 17 HA ARG 17 17.018 3.288 -22.406 136 HB2 ARG 17 2HB ARG 17 16.666 4.992 -20.015 137 HB3 ARG 17 3HB ARG 17 17.942 5.482 -21.121 138 HG2 ARG 17 2HG ARG 17 15.874 6.621 -21.647 139 HG3 ARG 17 3HG ARG 17 16.325 5.529 -22.958 140 HD2 ARG 17 2HD ARG 17 14.676 3.961 -22.359 141 HD3 ARG 17 3HD ARG 17 14.425 4.709 -20.782 142 HE ARG 17 HE ARG 17 13.752 6.653 -22.574 143 HH11 ARG 17 1HH1 ARG 17 12.742 3.370 -22.011 144 HH12 ARG 17 2HH1 ARG 17 11.130 3.629 -22.590 145 HH21 ARG 17 1HH2 ARG 17 11.633 7.007 -23.339 146 HH22 ARG 17 2HH2 ARG 17 10.500 5.697 -23.346 147 H CYS 18 H CYS 18 18.485 2.797 -19.245 148 HA CYS 18 HA CYS 18 21.157 3.305 -20.033 149 HB2 CYS 18 2HB CYS 18 21.166 3.316 -17.776 150 HB3 CYS 18 3HB CYS 18 19.778 2.240 -17.673 151 HG CYS 18 HG CYS 18 21.120 0.209 -16.887 152 H GLN 19 H GLN 19 19.203 0.364 -19.877 153 HA GLN 19 HA GLN 19 21.288 -1.435 -20.522 154 HB2 GLN 19 2HB GLN 19 18.297 -1.678 -20.872 155 HB3 GLN 19 3HB GLN 19 19.432 -3.003 -21.095 156 HG2 GLN 19 2HG GLN 19 19.881 -1.776 -18.552 157 HG3 GLN 19 3HG GLN 19 18.174 -2.181 -18.727 158 HE21 GLN 19 1HE2 GLN 19 21.386 -3.387 -18.407 159 HE22 GLN 19 2HE2 GLN 19 20.974 -5.056 -18.237 160 H ALA 20 H ALA 20 18.974 0.371 -22.474 161 HA ALA 20 HA ALA 20 19.781 -0.867 -24.941 162 HB1 ALA 20 1HB ALA 20 17.598 -0.161 -25.064 163 HB2 ALA 20 2HB ALA 20 17.918 1.335 -24.186 164 HB3 ALA 20 3HB ALA 20 18.432 1.172 -25.865 165 H LEU 21 H LEU 21 20.648 1.990 -23.128 166 HA LEU 21 HA LEU 21 22.248 3.581 -23.417 167 HB2 LEU 21 2HB LEU 21 23.421 1.429 -25.171 168 HB3 LEU 21 3HB LEU 21 24.272 2.896 -24.692 169 HG LEU 21 HG LEU 21 23.263 0.815 -22.756 170 HD11 LEU 21 1HD1 LEU 21 25.021 -0.435 -23.253 171 HD12 LEU 21 2HD1 LEU 21 26.090 0.914 -22.871 172 HD13 LEU 21 3HD1 LEU 21 25.490 0.703 -24.516 173 HD21 LEU 21 3HD2 LEU 21 25.443 2.693 -22.094 174 HD22 LEU 21 1HD2 LEU 21 24.135 2.068 -21.090 175 HD23 LEU 21 2HD2 LEU 21 23.824 3.383 -22.223 176 H GLY 22 H GLY 22 20.557 4.819 -24.545 177 HA2 GLY 22 2HA GLY 22 20.026 4.913 -27.222 178 HA3 GLY 22 3HA GLY 22 20.081 6.345 -26.205 179 H GLY 23 H GLY 23 22.921 6.086 -25.609 180 HA2 GLY 23 2HA GLY 23 24.998 6.113 -26.847 181 HA3 GLY 23 3HA GLY 23 24.084 6.578 -28.274 182 H SER 24 H SER 24 25.021 7.713 -25.045 183 HA SER 24 HA SER 24 25.747 10.282 -26.064 184 HB2 SER 24 2HB SER 24 23.196 9.985 -24.485 185 HB3 SER 24 3HB SER 24 24.102 11.498 -24.506 186 HG SER 24 HG SER 24 23.798 11.622 -26.716 187 H GLU 25 H GLU 25 27.564 10.627 -24.985 188 HA GLU 25 HA GLU 25 28.334 9.369 -22.626 189 HB2 GLU 25 2HB GLU 25 30.053 11.241 -22.488 190 HB3 GLU 25 3HB GLU 25 30.045 10.289 -23.966 191 HG2 GLU 25 2HG GLU 25 29.733 12.101 -25.187 192 HG3 GLU 25 3HG GLU 25 28.287 12.519 -24.270 193 H ALA 26 H ALA 26 26.347 12.142 -23.120 194 HA ALA 26 HA ALA 26 26.636 13.140 -20.419 195 HB1 ALA 26 1HB ALA 26 26.108 14.972 -21.590 196 HB2 ALA 26 2HB ALA 26 25.365 14.043 -22.893 197 HB3 ALA 26 3HB ALA 26 24.444 14.411 -21.434 198 H GLU 27 H GLU 27 24.054 11.608 -22.336 199 HA GLU 27 HA GLU 27 22.068 11.492 -20.432 200 HB2 GLU 27 2HB GLU 27 22.788 9.514 -22.595 201 HB3 GLU 27 3HB GLU 27 21.327 9.386 -21.626 202 HG2 GLU 27 2HG GLU 27 20.667 11.641 -22.419 203 HG3 GLU 27 3HG GLU 27 22.072 11.631 -23.484 204 H CYS 28 H CYS 28 24.609 9.069 -21.024 205 HA CYS 28 HA CYS 28 23.899 7.248 -19.056 206 HB2 CYS 28 2HB CYS 28 26.731 7.926 -19.865 207 HB3 CYS 28 3HB CYS 28 26.154 6.402 -19.201 208 HG CYS 28 HG CYS 28 24.395 6.115 -21.552 209 H ALA 29 H ALA 29 25.907 10.147 -18.817 210 HA ALA 29 HA ALA 29 26.804 9.800 -16.188 211 HB1 ALA 29 1HB ALA 29 27.450 12.064 -16.236 212 HB2 ALA 29 2HB ALA 29 27.598 11.495 -17.899 213 HB3 ALA 29 3HB ALA 29 26.212 12.475 -17.423 214 H ALA 30 H ALA 30 24.019 11.675 -17.390 215 HA ALA 30 HA ALA 30 23.039 12.521 -14.927 216 HB1 ALA 30 1HB ALA 30 20.830 12.687 -16.115 217 HB2 ALA 30 2HB ALA 30 22.176 13.506 -16.908 218 HB3 ALA 30 3HB ALA 30 21.611 11.950 -17.515 219 H PHE 31 H PHE 31 22.618 9.470 -16.615 220 HA PHE 31 HA PHE 31 20.526 8.455 -15.004 221 HB2 PHE 31 2HB PHE 31 22.484 7.300 -16.933 222 HB3 PHE 31 3HB PHE 31 21.646 6.193 -15.850 223 HD1 PHE 31 HD1 PHE 31 20.267 9.300 -17.302 224 HD2 PHE 31 HD2 PHE 31 20.287 5.045 -17.380 225 HE1 PHE 31 HE1 PHE 31 18.313 9.322 -18.797 226 HE2 PHE 31 HE2 PHE 31 18.334 5.059 -18.877 227 HZ PHE 31 HZ PHE 31 17.345 7.200 -19.588 228 H GLU 32 H GLU 32 24.047 7.943 -14.907 229 HA GLU 32 HA GLU 32 24.136 6.223 -12.724 230 HB2 GLU 32 2HB GLU 32 26.140 8.304 -13.609 231 HB3 GLU 32 3HB GLU 32 26.470 7.061 -12.410 232 HG2 GLU 32 2HG GLU 32 26.552 5.388 -13.956 233 HG3 GLU 32 3HG GLU 32 25.456 6.210 -15.067 234 H LYS 33 H LYS 33 24.247 9.768 -12.800 235 HA LYS 33 HA LYS 33 24.591 10.166 -10.041 236 HB2 LYS 33 2HB LYS 33 23.949 11.789 -12.372 237 HB3 LYS 33 3HB LYS 33 23.112 12.346 -10.929 238 HG2 LYS 33 2HG LYS 33 25.026 13.540 -10.719 239 HG3 LYS 33 3HG LYS 33 25.526 12.074 -9.875 240 HD2 LYS 33 2HD LYS 33 27.222 11.904 -11.304 241 HD3 LYS 33 3HD LYS 33 26.049 11.609 -12.590 242 HE2 LYS 33 2HE LYS 33 27.355 13.413 -13.344 243 HE3 LYS 33 3HE LYS 33 25.850 14.135 -12.778 244 HZ1 LYS 33 3HZ LYS 33 27.949 13.923 -10.792 245 HZ2 LYS 33 1HZ LYS 33 26.886 15.199 -11.115 246 HZ3 LYS 33 2HZ LYS 33 28.271 14.992 -12.064 247 H GLU 34 H GLU 34 21.607 10.345 -11.991 248 HA GLU 34 HA GLU 34 19.799 10.783 -9.955 249 HB2 GLU 34 2HB GLU 34 19.671 10.143 -12.685 250 HB3 GLU 34 3HB GLU 34 18.698 8.926 -11.872 251 HG2 GLU 34 2HG GLU 34 17.432 10.722 -10.759 252 HG3 GLU 34 3HG GLU 34 18.368 11.909 -11.666 253 H ILE 35 H ILE 35 20.975 7.668 -11.190 254 HA ILE 35 HA ILE 35 19.435 6.018 -9.530 255 HB ILE 35 HB ILE 35 22.134 5.546 -10.790 256 HG12 ILE 35 2HG1 ILE 35 20.171 5.875 -12.298 257 HG13 ILE 35 3HG1 ILE 35 20.903 4.280 -12.436 258 HG21 ILE 35 1HG2 ILE 35 20.662 3.957 -8.845 259 HG22 ILE 35 2HG2 ILE 35 21.031 3.072 -10.324 260 HG23 ILE 35 3HG2 ILE 35 22.332 3.814 -9.393 261 HD11 ILE 35 3HD1 ILE 35 18.490 4.130 -12.471 262 HD12 ILE 35 1HD1 ILE 35 19.135 3.356 -11.024 263 HD13 ILE 35 2HD1 ILE 35 18.397 4.955 -10.915 264 H ALA 36 H ALA 36 22.668 7.397 -9.066 265 HA ALA 36 HA ALA 36 23.352 6.136 -6.687 266 HB1 ALA 36 1HB ALA 36 24.940 7.894 -6.348 267 HB2 ALA 36 2HB ALA 36 24.853 7.559 -8.078 268 HB3 ALA 36 3HB ALA 36 24.043 8.977 -7.413 269 H ALA 37 H ALA 37 21.640 9.222 -7.151 270 HA ALA 37 HA ALA 37 21.265 9.742 -4.395 271 HB1 ALA 37 1HB ALA 37 19.373 10.781 -6.457 272 HB2 ALA 37 2HB ALA 37 20.051 11.589 -5.043 273 HB3 ALA 37 3HB ALA 37 21.055 11.313 -6.466 274 H PHE 38 H PHE 38 19.406 7.969 -6.785 275 HA PHE 38 HA PHE 38 16.991 7.746 -5.379 276 HB2 PHE 38 2HB PHE 38 18.182 6.590 -7.736 277 HB3 PHE 38 3HB PHE 38 17.341 5.349 -6.814 278 HD1 PHE 38 HD2 PHE 38 16.527 8.950 -7.255 279 HD2 PHE 38 HD1 PHE 38 15.401 4.913 -7.995 280 HE1 PHE 38 HE2 PHE 38 14.383 9.722 -8.183 281 HE2 PHE 38 HE1 PHE 38 13.255 5.678 -8.925 282 HZ PHE 38 HZ PHE 38 12.743 8.085 -9.019 283 H GLU 39 H GLU 39 19.696 5.431 -5.580 284 HA GLU 39 HA GLU 39 18.658 3.627 -3.684 285 HB2 GLU 39 2HB GLU 39 20.959 2.722 -3.588 286 HB3 GLU 39 3HB GLU 39 20.386 2.943 -5.235 287 HG2 GLU 39 2HG GLU 39 21.649 5.050 -5.367 288 HG3 GLU 39 3HG GLU 39 22.265 4.758 -3.742 289 H SER 40 H SER 40 20.803 6.411 -3.378 290 HA SER 40 HA SER 40 21.466 6.014 -0.656 291 HB2 SER 40 2HB SER 40 22.877 7.453 -1.927 292 HB3 SER 40 3HB SER 40 21.517 8.456 -2.433 293 HG SER 40 HG SER 40 23.023 9.058 -0.523 294 H GLU 41 H GLU 41 18.767 7.523 -2.273 295 HA GLU 41 HA GLU 41 17.769 8.784 0.125 296 HB2 GLU 41 2HB GLU 41 16.796 8.544 -2.702 297 HB3 GLU 41 3HB GLU 41 15.704 9.095 -1.439 298 HG2 GLU 41 2HG GLU 41 17.252 10.916 -0.905 299 HG3 GLU 41 3HG GLU 41 18.323 10.372 -2.195 300 H LEU 42 H LEU 42 17.277 5.815 -1.633 301 HA LEU 42 HA LEU 42 14.862 5.100 -0.243 302 HB2 LEU 42 2HB LEU 42 16.727 3.485 -1.974 303 HB3 LEU 42 3HB LEU 42 15.193 2.898 -1.336 304 HG LEU 42 HG LEU 42 15.213 5.363 -3.018 305 HD11 LEU 42 1HD1 LEU 42 14.702 3.449 -4.855 306 HD12 LEU 42 2HD1 LEU 42 15.963 2.663 -3.905 307 HD13 LEU 42 3HD1 LEU 42 16.269 4.232 -4.648 308 HD21 LEU 42 3HD2 LEU 42 13.096 3.802 -3.731 309 HD22 LEU 42 1HD2 LEU 42 13.055 5.060 -2.495 310 HD23 LEU 42 2HD2 LEU 42 13.301 3.376 -2.031 311 H GLN 43 H GLN 43 18.284 4.585 0.169 312 HA GLN 43 HA GLN 43 18.028 2.466 2.079 313 HB2 GLN 43 2HB GLN 43 20.375 2.584 2.311 314 HB3 GLN 43 3HB GLN 43 20.054 2.948 0.621 315 HG2 GLN 43 2HG GLN 43 21.319 4.745 0.877 316 HG3 GLN 43 3HG GLN 43 20.019 5.422 1.856 317 HE21 GLN 43 1HE2 GLN 43 22.996 5.660 1.961 318 HE22 GLN 43 2HE2 GLN 43 23.412 5.269 3.591 319 H ALA 44 H ALA 44 17.750 5.869 2.195 320 HA ALA 44 HA ALA 44 18.434 6.146 4.983 321 HB1 ALA 44 1HB ALA 44 18.257 8.388 4.671 322 HB2 ALA 44 2HB ALA 44 18.474 7.905 2.988 323 HB3 ALA 44 3HB ALA 44 16.858 8.244 3.607 324 H TYR 45 H TYR 45 15.684 5.202 3.210 325 HA TYR 45 HA TYR 45 13.557 6.139 4.710 326 HB2 TYR 45 2HB TYR 45 14.025 3.744 3.013 327 HB3 TYR 45 3HB TYR 45 12.615 3.717 4.067 328 HD1 TYR 45 HD2 TYR 45 11.569 6.379 4.009 329 HD2 TYR 45 HD1 TYR 45 13.354 4.164 0.846 330 HE1 TYR 45 HE2 TYR 45 10.314 7.718 2.372 331 HE2 TYR 45 HE1 TYR 45 12.105 5.497 -0.801 332 HH TYR 45 HH TYR 45 9.509 7.176 -0.219 333 H LYS 46 H LYS 46 14.995 2.894 5.073 334 HA LYS 46 HA LYS 46 15.036 1.457 6.845 335 HB2 LYS 46 2HB LYS 46 15.797 4.112 7.994 336 HB3 LYS 46 3HB LYS 46 15.598 2.738 9.075 337 HG2 LYS 46 2HG LYS 46 17.261 2.251 6.697 338 HG3 LYS 46 3HG LYS 46 17.915 3.392 7.873 339 HD2 LYS 46 2HD LYS 46 18.731 1.428 8.723 340 HD3 LYS 46 3HD LYS 46 17.192 1.518 9.583 341 HE2 LYS 46 2HE LYS 46 16.454 -0.347 8.613 342 HE3 LYS 46 3HE LYS 46 16.892 0.237 7.009 343 HZ1 LYS 46 3HZ LYS 46 18.027 -1.865 7.969 344 HZ2 LYS 46 1HZ LYS 46 18.991 -0.759 8.812 345 HZ3 LYS 46 2HZ LYS 46 18.955 -0.733 7.121 346 H GLY 47 H GLY 47 12.599 1.367 6.346 347 HA2 GLY 47 2HA GLY 47 10.917 2.537 8.410 348 HA3 GLY 47 3HA GLY 47 10.376 1.574 7.042 349 H LYS 48 H LYS 48 12.693 0.914 9.663 350 HA LYS 48 HA LYS 48 12.916 -0.888 11.042 351 HB2 LYS 48 2HB LYS 48 11.018 0.245 12.115 352 HB3 LYS 48 3HB LYS 48 9.901 -0.652 11.095 353 HG2 LYS 48 2HG LYS 48 9.955 -2.429 12.430 354 HG3 LYS 48 3HG LYS 48 11.716 -2.396 12.539 355 HD2 LYS 48 2HD LYS 48 11.684 -0.890 14.342 356 HD3 LYS 48 3HD LYS 48 9.999 -0.448 14.052 357 HE2 LYS 48 2HE LYS 48 9.382 -1.985 15.531 358 HE3 LYS 48 3HE LYS 48 10.039 -3.231 14.470 359 HZ1 LYS 48 3HZ LYS 48 12.037 -3.266 15.620 360 HZ2 LYS 48 1HZ LYS 48 10.898 -3.095 16.859 361 HZ3 LYS 48 2HZ LYS 48 11.785 -1.754 16.335 362 H GLY 49 H GLY 49 13.729 -2.347 9.497 363 HA2 GLY 49 2HA GLY 49 13.775 -4.432 8.521 364 HA3 GLY 49 3HA GLY 49 12.172 -4.715 9.183 365 H ASN 50 H ASN 50 13.595 -2.540 6.736 366 HA ASN 50 HA ASN 50 11.366 -3.271 4.955 367 HB2 ASN 50 2HB ASN 50 12.780 -0.717 5.484 368 HB3 ASN 50 3HB ASN 50 12.331 -1.030 3.810 369 HD21 ASN 50 1HD2 ASN 50 10.869 0.695 3.870 370 HD22 ASN 50 2HD2 ASN 50 9.343 0.559 4.670 371 HA PRO 51 HA PRO 51 15.149 -5.102 3.036 372 HB2 PRO 51 2HB PRO 51 13.893 -7.357 2.193 373 HB3 PRO 51 3HB PRO 51 14.577 -7.187 3.815 374 HG2 PRO 51 2HG PRO 51 11.737 -6.888 2.915 375 HG3 PRO 51 3HG PRO 51 12.374 -7.703 4.355 376 HD2 PRO 51 2HD PRO 51 11.301 -5.219 4.442 377 HD3 PRO 51 3HD PRO 51 12.616 -5.729 5.519 378 H GLU 52 H GLU 52 12.005 -4.206 1.982 379 HA GLU 52 HA GLU 52 12.024 -4.901 -0.704 380 HB2 GLU 52 2HB GLU 52 10.576 -2.834 -1.001 381 HB3 GLU 52 3HB GLU 52 10.020 -4.013 0.178 382 HG2 GLU 52 2HG GLU 52 10.762 -2.665 1.994 383 HG3 GLU 52 3HG GLU 52 11.594 -1.557 0.903 384 H VAL 53 H VAL 53 13.578 -2.208 0.941 385 HA VAL 53 HA VAL 53 14.372 -0.804 -1.391 386 HB VAL 53 HB VAL 53 15.577 -0.768 1.379 387 HG11 VAL 53 1HG1 VAL 53 17.184 0.064 -0.208 388 HG12 VAL 53 2HG1 VAL 53 15.965 1.094 -0.961 389 HG13 VAL 53 3HG1 VAL 53 16.505 1.424 0.686 390 HG21 VAL 53 3HG2 VAL 53 13.245 -0.095 1.374 391 HG22 VAL 53 1HG2 VAL 53 14.281 1.306 1.647 392 HG23 VAL 53 2HG2 VAL 53 13.554 1.042 0.062 393 H GLU 54 H GLU 54 15.669 -3.533 0.317 394 HA GLU 54 HA GLU 54 18.331 -3.507 -0.377 395 HB2 GLU 54 2HB GLU 54 16.526 -5.932 -0.370 396 HB3 GLU 54 3HB GLU 54 18.277 -5.942 -0.215 397 HG2 GLU 54 2HG GLU 54 16.700 -4.367 1.746 398 HG3 GLU 54 3HG GLU 54 16.700 -6.124 1.881 399 H ALA 55 H ALA 55 15.621 -4.780 -2.296 400 HA ALA 55 HA ALA 55 17.177 -5.587 -4.508 401 HB1 ALA 55 1HB ALA 55 14.417 -5.558 -3.790 402 HB2 ALA 55 2HB ALA 55 14.594 -4.911 -5.422 403 HB3 ALA 55 3HB ALA 55 15.231 -6.509 -5.033 404 H LEU 56 H LEU 56 15.593 -2.554 -3.681 405 HA LEU 56 HA LEU 56 15.893 -1.290 -6.186 406 HB2 LEU 56 2HB LEU 56 15.002 -0.596 -3.548 407 HB3 LEU 56 3HB LEU 56 16.040 0.679 -4.184 408 HG LEU 56 HG LEU 56 14.588 1.035 -6.045 409 HD11 LEU 56 1HD1 LEU 56 13.550 -0.727 -6.917 410 HD12 LEU 56 2HD1 LEU 56 12.343 -0.536 -5.645 411 HD13 LEU 56 3HD1 LEU 56 13.694 -1.646 -5.418 412 HD21 LEU 56 3HD2 LEU 56 13.034 2.174 -4.892 413 HD22 LEU 56 1HD2 LEU 56 13.906 1.591 -3.474 414 HD23 LEU 56 2HD2 LEU 56 12.469 0.737 -4.037 415 H ARG 57 H ARG 57 17.853 -1.075 -3.218 416 HA ARG 57 HA ARG 57 19.833 0.612 -4.285 417 HB2 ARG 57 2HB ARG 57 21.204 -0.097 -2.374 418 HB3 ARG 57 3HB ARG 57 19.560 0.289 -1.883 419 HG2 ARG 57 2HG ARG 57 19.010 -2.074 -1.785 420 HG3 ARG 57 3HG ARG 57 20.634 -2.487 -2.338 421 HD2 ARG 57 2HD ARG 57 20.394 -0.754 0.058 422 HD3 ARG 57 3HD ARG 57 19.964 -2.454 0.237 423 HE ARG 57 HE ARG 57 22.493 -2.047 -1.058 424 HH11 ARG 57 1HH1 ARG 57 20.867 -2.313 2.009 425 HH12 ARG 57 2HH1 ARG 57 22.286 -2.818 2.865 426 HH21 ARG 57 1HH2 ARG 57 24.368 -2.711 0.058 427 HH22 ARG 57 2HH2 ARG 57 24.277 -3.043 1.755 428 H LYS 58 H LYS 58 19.493 -2.891 -4.238 429 HA LYS 58 HA LYS 58 22.074 -3.558 -5.122 430 HB2 LYS 58 2HB LYS 58 20.550 -5.217 -4.184 431 HB3 LYS 58 3HB LYS 58 19.455 -5.009 -5.544 432 HG2 LYS 58 2HG LYS 58 20.628 -6.388 -6.845 433 HG3 LYS 58 3HG LYS 58 22.172 -5.695 -6.345 434 HD2 LYS 58 2HD LYS 58 20.705 -7.367 -4.378 435 HD3 LYS 58 3HD LYS 58 21.475 -8.186 -5.738 436 HE2 LYS 58 2HE LYS 58 23.542 -6.751 -5.090 437 HE3 LYS 58 3HE LYS 58 22.716 -6.577 -3.542 438 HZ1 LYS 58 3HZ LYS 58 24.108 -8.428 -3.312 439 HZ2 LYS 58 1HZ LYS 58 23.688 -9.060 -4.824 440 HZ3 LYS 58 2HZ LYS 58 22.569 -9.086 -3.556 441 H GLU 59 H GLU 59 19.049 -3.276 -6.994 442 HA GLU 59 HA GLU 59 20.172 -3.663 -9.517 443 HB2 GLU 59 2HB GLU 59 17.725 -2.133 -8.641 444 HB3 GLU 59 3HB GLU 59 18.148 -2.358 -10.332 445 HG2 GLU 59 2HG GLU 59 18.270 -4.908 -9.419 446 HG3 GLU 59 3HG GLU 59 16.990 -4.238 -8.409 447 H ALA 60 H ALA 60 19.652 -0.674 -7.686 448 HA ALA 60 HA ALA 60 20.429 1.169 -9.614 449 HB1 ALA 60 1HB ALA 60 19.585 2.271 -7.829 450 HB2 ALA 60 2HB ALA 60 20.287 1.148 -6.664 451 HB3 ALA 60 3HB ALA 60 21.290 2.399 -7.397 452 H ALA 61 H ALA 61 22.453 -0.321 -7.083 453 HA ALA 61 HA ALA 61 24.879 0.820 -7.816 454 HB1 ALA 61 1HB ALA 61 25.902 -1.202 -6.711 455 HB2 ALA 61 2HB ALA 61 24.739 -0.304 -5.736 456 HB3 ALA 61 3HB ALA 61 24.262 -1.817 -6.506 457 H ALA 62 H ALA 62 23.367 -2.180 -8.949 458 HA ALA 62 HA ALA 62 25.478 -3.082 -10.558 459 HB1 ALA 62 1HB ALA 62 23.981 -4.629 -11.451 460 HB2 ALA 62 2HB ALA 62 23.337 -4.304 -9.840 461 HB3 ALA 62 3HB ALA 62 22.600 -3.549 -11.253 462 H ILE 63 H ILE 63 22.722 -0.982 -11.307 463 HA ILE 63 HA ILE 63 23.204 -0.724 -14.062 464 HB ILE 63 HB ILE 63 21.912 1.259 -12.185 465 HG12 ILE 63 2HG1 ILE 63 20.338 -0.434 -14.050 466 HG13 ILE 63 3HG1 ILE 63 21.043 -1.242 -12.654 467 HG21 ILE 63 1HG2 ILE 63 21.834 2.642 -13.919 468 HG22 ILE 63 2HG2 ILE 63 22.583 1.439 -14.967 469 HG23 ILE 63 3HG2 ILE 63 20.832 1.464 -14.765 470 HD11 ILE 63 3HD1 ILE 63 19.918 0.991 -11.543 471 HD12 ILE 63 1HD1 ILE 63 18.778 0.573 -12.822 472 HD13 ILE 63 2HD1 ILE 63 19.195 -0.617 -11.588 473 H ARG 64 H ARG 64 24.384 1.126 -11.292 474 HA ARG 64 HA ARG 64 25.701 3.130 -12.802 475 HB2 ARG 64 2HB ARG 64 25.081 3.353 -10.402 476 HB3 ARG 64 3HB ARG 64 26.331 2.184 -10.002 477 HG2 ARG 64 2HG ARG 64 27.551 4.183 -11.571 478 HG3 ARG 64 3HG ARG 64 26.555 4.999 -10.364 479 HD2 ARG 64 2HD ARG 64 27.624 3.633 -8.607 480 HD3 ARG 64 3HD ARG 64 28.658 2.903 -9.834 481 HE ARG 64 HE ARG 64 29.116 5.548 -10.143 482 HH11 ARG 64 1HH1 ARG 64 29.171 3.423 -7.386 483 HH12 ARG 64 2HH1 ARG 64 30.391 4.326 -6.550 484 HH21 ARG 64 1HH2 ARG 64 30.722 6.746 -9.053 485 HH22 ARG 64 2HH2 ARG 64 31.271 6.217 -7.499 486 H ASP 65 H ASP 65 26.665 -0.022 -11.593 487 HA ASP 65 HA ASP 65 29.440 0.238 -12.076 488 HB2 ASP 65 2HB ASP 65 27.726 -2.254 -11.991 489 HB3 ASP 65 3HB ASP 65 29.486 -2.226 -11.924 490 H GLU 66 H GLU 66 26.814 -1.179 -14.010 491 HA GLU 66 HA GLU 66 28.426 -1.964 -16.184 492 HB2 GLU 66 2HB GLU 66 26.273 -2.021 -17.454 493 HB3 GLU 66 3HB GLU 66 26.240 -2.916 -15.942 494 HG2 GLU 66 2HG GLU 66 25.096 -1.032 -14.867 495 HG3 GLU 66 3HG GLU 66 25.098 -0.170 -16.404 496 H CYS 67 H CYS 67 26.561 0.985 -15.565 497 HA CYS 67 HA CYS 67 26.988 2.225 -18.041 498 HB2 CYS 67 2HB CYS 67 26.471 3.358 -15.292 499 HB3 CYS 67 3HB CYS 67 26.573 4.365 -16.731 500 HG CYS 67 HG CYS 67 24.480 1.949 -17.376 501 H GLN 68 H GLN 68 28.903 2.225 -15.075 502 HA GLN 68 HA GLN 68 30.807 4.137 -15.996 503 HB2 GLN 68 2HB GLN 68 30.931 2.101 -13.767 504 HB3 GLN 68 3HB GLN 68 32.169 3.316 -14.060 505 HG2 GLN 68 2HG GLN 68 29.561 4.526 -13.913 506 HG3 GLN 68 3HG GLN 68 29.895 3.562 -12.475 507 HE21 GLN 68 1HE2 GLN 68 31.120 6.155 -14.509 508 HE22 GLN 68 2HE2 GLN 68 32.055 6.928 -13.279 509 H ALA 69 H ALA 69 30.482 0.675 -16.240 510 HA ALA 69 HA ALA 69 33.192 0.227 -17.098 511 HB1 ALA 69 1HB ALA 69 32.097 -1.560 -15.958 512 HB2 ALA 69 2HB ALA 69 30.752 -1.539 -17.099 513 HB3 ALA 69 3HB ALA 69 32.350 -2.066 -17.629 514 H TYR 70 H TYR 70 30.458 1.490 -18.567 515 HA TYR 70 HA TYR 70 31.158 0.522 -21.235 516 HB2 TYR 70 2HB TYR 70 28.842 2.223 -20.290 517 HB3 TYR 70 3HB TYR 70 29.084 1.681 -21.947 518 HD1 TYR 70 HD1 TYR 70 30.146 -1.119 -21.064 519 HD2 TYR 70 HD2 TYR 70 26.689 1.152 -20.065 520 HE1 TYR 70 HE1 TYR 70 28.932 -3.199 -20.564 521 HE2 TYR 70 HE2 TYR 70 25.466 -0.921 -19.560 522 HH TYR 70 HH TYR 70 25.549 -3.284 -20.096 523 H ARG 71 H ARG 71 31.004 3.493 -19.344 524 HA ARG 71 HA ARG 71 32.750 4.770 -21.321 525 HB2 ARG 71 2HB ARG 71 30.270 5.434 -21.562 526 HB3 ARG 71 3HB ARG 71 30.497 6.304 -20.051 527 HG2 ARG 71 2HG ARG 71 31.837 7.887 -20.999 528 HG3 ARG 71 3HG ARG 71 32.430 6.793 -22.251 529 HD2 ARG 71 2HD ARG 71 29.682 7.026 -22.704 530 HD3 ARG 71 3HD ARG 71 30.234 8.658 -22.329 531 HE ARG 71 HE ARG 71 31.394 8.692 -24.309 532 HH11 ARG 71 1HH1 ARG 71 30.381 5.436 -23.610 533 HH12 ARG 71 2HH1 ARG 71 30.835 4.821 -25.165 534 HH21 ARG 71 1HH2 ARG 71 31.995 7.895 -26.360 535 HH22 ARG 71 2HH2 ARG 71 31.754 6.221 -26.728 536 H HIS 72 H HIS 72 33.701 3.662 -19.043 537 HA HIS 72 HA HIS 72 35.076 5.757 -17.813 538 HB2 HIS 72 2HB HIS 72 32.535 5.681 -16.814 539 HB3 HIS 72 3HB HIS 72 33.386 4.645 -15.673 540 HD1 HIS 72 HD1 HIS 72 32.562 8.074 -16.221 541 HD2 HIS 72 HD2 HIS 72 35.839 6.060 -14.650 542 HE1 HIS 72 HE1 HIS 72 33.814 9.782 -14.865 543 H ASN 73 H ASN 73 35.504 3.133 -18.915 544 HA ASN 73 HA ASN 73 36.990 1.974 -16.677 545 HB2 ASN 73 2HB ASN 73 35.138 0.536 -16.624 546 HB3 ASN 73 3HB ASN 73 34.963 0.546 -18.376 547 HD21 ASN 73 1HD2 ASN 73 37.636 -0.133 -16.140 548 HD22 ASN 73 2HD2 ASN 73 38.032 -1.673 -16.815 Start of MODEL 16 1 H1 MET 1 H MET 1 5.487 -2.078 -4.240 2 HA MET 1 HA MET 1 3.399 -0.428 -4.611 3 HB2 MET 1 2HB MET 1 4.070 -1.921 -2.072 4 HB3 MET 1 3HB MET 1 2.497 -1.209 -2.405 5 HG2 MET 1 2HG MET 1 2.349 -2.640 -4.431 6 HG3 MET 1 3HG MET 1 3.844 -3.425 -3.926 7 HE1 MET 1 3HE MET 1 1.576 -5.213 -4.558 8 HE2 MET 1 1HE MET 1 2.926 -5.920 -3.669 9 HE3 MET 1 2HE MET 1 1.270 -6.217 -3.139 10 H GLY 2 H GLY 2 3.025 1.658 -4.279 11 HA2 GLY 2 2HA GLY 2 2.870 3.671 -3.145 12 HA3 GLY 2 3HA GLY 2 3.648 2.912 -1.764 13 H SER 3 H SER 3 5.387 4.049 -1.236 14 HA SER 3 HA SER 3 6.768 5.825 -2.855 15 HB2 SER 3 2HB SER 3 7.070 5.987 -0.499 16 HB3 SER 3 3HB SER 3 7.627 4.317 -0.384 17 HG SER 3 HG SER 3 9.558 4.888 -1.122 18 H TRP 4 H TRP 4 7.282 2.384 -2.345 19 HA TRP 4 HA TRP 4 9.758 2.261 -3.755 20 HB2 TRP 4 2HB TRP 4 9.203 0.553 -2.121 21 HB3 TRP 4 3HB TRP 4 7.768 0.099 -3.036 22 HD1 TRP 4 HD1 TRP 4 10.837 0.713 -5.126 23 HE1 TRP 4 HE1 TRP 4 11.761 -1.533 -5.977 24 HE3 TRP 4 HE3 TRP 4 8.005 -2.459 -2.286 25 HZ2 TRP 4 HZ2 TRP 4 11.345 -4.285 -5.507 26 HZ3 TRP 4 HZ3 TRP 4 8.330 -4.884 -2.548 27 HH2 TRP 4 HH2 TRP 4 9.965 -5.776 -4.126 28 H ALA 5 H ALA 5 6.393 1.524 -4.613 29 HA ALA 5 HA ALA 5 6.702 0.486 -7.131 30 HB1 ALA 5 1HB ALA 5 4.572 1.182 -5.662 31 HB2 ALA 5 2HB ALA 5 4.541 2.479 -6.857 32 HB3 ALA 5 3HB ALA 5 4.477 0.796 -7.380 33 H GLU 6 H GLU 6 6.408 3.943 -6.313 34 HA GLU 6 HA GLU 6 6.684 4.949 -8.899 35 HB2 GLU 6 2HB GLU 6 7.032 6.029 -6.159 36 HB3 GLU 6 3HB GLU 6 7.787 6.937 -7.461 37 HG2 GLU 6 2HG GLU 6 5.656 7.152 -8.589 38 HG3 GLU 6 3HG GLU 6 4.879 6.172 -7.347 39 H PHE 7 H PHE 7 9.183 4.502 -6.401 40 HA PHE 7 HA PHE 7 11.363 5.370 -7.906 41 HB2 PHE 7 2HB PHE 7 10.941 3.914 -5.422 42 HB3 PHE 7 3HB PHE 7 12.376 3.355 -6.275 43 HD1 PHE 7 HD2 PHE 7 10.716 6.548 -5.295 44 HD2 PHE 7 HD1 PHE 7 14.361 4.426 -5.861 45 HE1 PHE 7 HE2 PHE 7 11.971 8.483 -4.439 46 HE2 PHE 7 HE1 PHE 7 15.623 6.357 -5.005 47 HZ PHE 7 HZ PHE 7 14.428 8.390 -4.294 48 H LYS 8 H LYS 8 9.756 2.254 -7.792 49 HA LYS 8 HA LYS 8 11.708 0.784 -9.216 50 HB2 LYS 8 2HB LYS 8 9.401 0.152 -7.904 51 HB3 LYS 8 3HB LYS 8 8.902 -0.035 -9.580 52 HG2 LYS 8 2HG LYS 8 10.539 -1.689 -9.984 53 HG3 LYS 8 3HG LYS 8 11.370 -1.338 -8.467 54 HD2 LYS 8 2HD LYS 8 10.211 -3.145 -7.753 55 HD3 LYS 8 3HD LYS 8 8.931 -1.952 -7.518 56 HE2 LYS 8 2HE LYS 8 7.811 -2.595 -9.454 57 HE3 LYS 8 3HE LYS 8 9.238 -3.371 -10.138 58 HZ1 LYS 8 3HZ LYS 8 7.687 -5.029 -9.397 59 HZ2 LYS 8 1HZ LYS 8 7.627 -4.355 -7.846 60 HZ3 LYS 8 2HZ LYS 8 9.052 -5.077 -8.400 61 H GLN 9 H GLN 9 8.786 2.507 -10.249 62 HA GLN 9 HA GLN 9 8.914 1.803 -12.967 63 HB2 GLN 9 2HB GLN 9 7.248 3.366 -11.339 64 HB3 GLN 9 3HB GLN 9 7.837 4.457 -12.586 65 HG2 GLN 9 2HG GLN 9 6.257 1.932 -12.908 66 HG3 GLN 9 3HG GLN 9 5.843 3.566 -13.424 67 HE21 GLN 9 1HE2 GLN 9 6.327 0.811 -14.740 68 HE22 GLN 9 2HE2 GLN 9 7.293 1.205 -16.116 69 H ARG 10 H ARG 10 9.894 4.857 -11.400 70 HA ARG 10 HA ARG 10 11.069 6.037 -13.625 71 HB2 ARG 10 2HB ARG 10 11.539 6.337 -10.672 72 HB3 ARG 10 3HB ARG 10 12.500 7.242 -11.833 73 HG2 ARG 10 2HG ARG 10 10.813 8.723 -11.307 74 HG3 ARG 10 3HG ARG 10 10.217 7.979 -12.792 75 HD2 ARG 10 2HD ARG 10 8.814 6.474 -11.504 76 HD3 ARG 10 3HD ARG 10 9.454 7.135 -10.000 77 HE ARG 10 HE ARG 10 7.434 8.295 -11.683 78 HH11 ARG 10 1HH1 ARG 10 9.876 8.931 -9.285 79 HH12 ARG 10 2HH1 ARG 10 9.136 10.397 -8.732 80 HH21 ARG 10 1HH2 ARG 10 6.451 10.223 -10.964 81 HH22 ARG 10 2HH2 ARG 10 7.188 11.131 -9.687 82 H LEU 11 H LEU 11 12.509 3.920 -11.174 83 HA LEU 11 HA LEU 11 15.156 4.048 -12.107 84 HB2 LEU 11 2HB LEU 11 14.708 3.186 -9.930 85 HB3 LEU 11 3HB LEU 11 13.668 1.922 -10.583 86 HG LEU 11 HG LEU 11 16.451 1.848 -11.528 87 HD11 LEU 11 1HD1 LEU 11 15.871 2.080 -8.702 88 HD12 LEU 11 2HD1 LEU 11 17.423 2.058 -9.540 89 HD13 LEU 11 3HD1 LEU 11 16.640 0.542 -9.094 90 HD21 LEU 11 3HD2 LEU 11 14.445 -0.135 -10.478 91 HD22 LEU 11 1HD2 LEU 11 16.094 -0.570 -10.928 92 HD23 LEU 11 2HD2 LEU 11 14.991 0.082 -12.141 93 H ALA 12 H ALA 12 12.462 1.931 -12.957 94 HA ALA 12 HA ALA 12 13.891 0.129 -14.575 95 HB1 ALA 12 1HB ALA 12 11.075 0.800 -14.105 96 HB2 ALA 12 2HB ALA 12 11.419 0.132 -15.701 97 HB3 ALA 12 3HB ALA 12 11.861 -0.772 -14.252 98 H ALA 13 H ALA 13 12.158 3.123 -15.378 99 HA ALA 13 HA ALA 13 12.590 3.013 -18.160 100 HB1 ALA 13 1HB ALA 13 11.075 4.628 -17.918 101 HB2 ALA 13 2HB ALA 13 11.543 4.926 -16.244 102 HB3 ALA 13 3HB ALA 13 12.427 5.702 -17.559 103 H ILE 14 H ILE 14 14.433 4.519 -15.537 104 HA ILE 14 HA ILE 14 16.337 5.820 -17.151 105 HB ILE 14 HB ILE 14 16.654 4.782 -14.332 106 HG12 ILE 14 2HG1 ILE 14 16.193 7.652 -15.013 107 HG13 ILE 14 3HG1 ILE 14 14.816 6.555 -15.048 108 HG21 ILE 14 1HG2 ILE 14 18.800 5.230 -15.429 109 HG22 ILE 14 2HG2 ILE 14 18.255 6.860 -15.818 110 HG23 ILE 14 3HG2 ILE 14 18.475 6.383 -14.135 111 HD11 ILE 14 3HD1 ILE 14 14.996 7.682 -12.907 112 HD12 ILE 14 1HD1 ILE 14 15.243 5.945 -12.727 113 HD13 ILE 14 2HD1 ILE 14 16.625 7.041 -12.693 114 H LYS 15 H LYS 15 16.262 2.589 -15.720 115 HA LYS 15 HA LYS 15 18.890 1.847 -16.451 116 HB2 LYS 15 2HB LYS 15 17.343 0.718 -14.758 117 HB3 LYS 15 3HB LYS 15 16.576 -0.059 -16.137 118 HG2 LYS 15 2HG LYS 15 18.634 -1.152 -16.731 119 HG3 LYS 15 3HG LYS 15 19.503 -0.278 -15.468 120 HD2 LYS 15 2HD LYS 15 19.092 -2.398 -14.551 121 HD3 LYS 15 3HD LYS 15 17.862 -1.355 -13.834 122 HE2 LYS 15 2HE LYS 15 16.466 -2.155 -15.926 123 HE3 LYS 15 3HE LYS 15 17.585 -3.515 -15.865 124 HZ1 LYS 15 3HZ LYS 15 16.294 -2.704 -13.371 125 HZ2 LYS 15 1HZ LYS 15 16.740 -4.246 -13.904 126 HZ3 LYS 15 2HZ LYS 15 15.345 -3.510 -14.515 127 H THR 16 H THR 16 15.748 1.374 -18.024 128 HA THR 16 HA THR 16 16.613 -0.187 -20.175 129 HB THR 16 HB THR 16 14.346 1.814 -20.106 130 HG1 THR 16 HG1 THR 16 14.418 -0.999 -19.635 131 HG21 THR 16 3HG2 THR 16 13.414 0.515 -21.969 132 HG22 THR 16 1HG2 THR 16 14.871 -0.478 -22.004 133 HG23 THR 16 2HG2 THR 16 14.963 1.238 -22.400 134 H ARG 17 H ARG 17 16.201 3.346 -19.970 135 HA ARG 17 HA ARG 17 17.050 3.944 -22.567 136 HB2 ARG 17 2HB ARG 17 16.542 5.407 -20.098 137 HB3 ARG 17 3HB ARG 17 17.856 6.110 -21.032 138 HG2 ARG 17 2HG ARG 17 15.887 7.202 -21.724 139 HG3 ARG 17 3HG ARG 17 16.306 6.078 -23.018 140 HD2 ARG 17 2HD ARG 17 14.708 4.528 -21.460 141 HD3 ARG 17 3HD ARG 17 13.984 6.117 -21.220 142 HE ARG 17 HE ARG 17 14.400 5.754 -23.959 143 HH11 ARG 17 1HH1 ARG 17 12.463 4.439 -21.382 144 HH12 ARG 17 2HH1 ARG 17 11.153 3.988 -22.422 145 HH21 ARG 17 1HH2 ARG 17 12.682 5.165 -25.338 146 HH22 ARG 17 2HH2 ARG 17 11.278 4.401 -24.672 147 H CYS 18 H CYS 18 18.882 3.705 -19.542 148 HA CYS 18 HA CYS 18 21.372 4.479 -20.630 149 HB2 CYS 18 2HB CYS 18 20.388 3.834 -18.099 150 HB3 CYS 18 3HB CYS 18 21.615 2.614 -18.418 151 HG CYS 18 HG CYS 18 22.451 5.836 -19.014 152 H GLN 19 H GLN 19 19.833 1.329 -20.172 153 HA GLN 19 HA GLN 19 22.027 -0.252 -20.953 154 HB2 GLN 19 2HB GLN 19 19.058 -0.792 -21.068 155 HB3 GLN 19 3HB GLN 19 20.286 -2.006 -21.402 156 HG2 GLN 19 2HG GLN 19 20.615 -0.592 -18.855 157 HG3 GLN 19 3HG GLN 19 19.155 -1.573 -18.982 158 HE21 GLN 19 1HE2 GLN 19 19.716 -3.767 -20.172 159 HE22 GLN 19 2HE2 GLN 19 21.038 -4.623 -19.462 160 H ALA 20 H ALA 20 19.487 1.341 -22.782 161 HA ALA 20 HA ALA 20 20.167 0.083 -25.272 162 HB1 ALA 20 1HB ALA 20 18.428 2.458 -24.629 163 HB2 ALA 20 2HB ALA 20 18.619 1.775 -26.245 164 HB3 ALA 20 3HB ALA 20 17.907 0.805 -24.956 165 H LEU 21 H LEU 21 21.176 2.915 -23.537 166 HA LEU 21 HA LEU 21 22.638 4.599 -24.008 167 HB2 LEU 21 2HB LEU 21 23.941 2.674 -25.907 168 HB3 LEU 21 3HB LEU 21 24.695 3.941 -24.941 169 HG LEU 21 HG LEU 21 23.364 1.728 -23.480 170 HD11 LEU 21 1HD1 LEU 21 25.488 1.313 -25.430 171 HD12 LEU 21 2HD1 LEU 21 24.468 0.142 -24.594 172 HD13 LEU 21 3HD1 LEU 21 25.914 0.772 -23.806 173 HD21 LEU 21 3HD2 LEU 21 25.422 2.047 -22.071 174 HD22 LEU 21 1HD2 LEU 21 24.358 3.450 -22.181 175 HD23 LEU 21 2HD2 LEU 21 25.846 3.396 -23.127 176 H GLY 22 H GLY 22 20.262 4.372 -25.718 177 HA2 GLY 22 2HA GLY 22 21.303 5.525 -28.225 178 HA3 GLY 22 3HA GLY 22 19.721 4.782 -28.042 179 H GLY 23 H GLY 23 21.200 7.096 -25.826 180 HA2 GLY 23 2HA GLY 23 19.031 8.979 -26.523 181 HA3 GLY 23 3HA GLY 23 19.673 8.786 -24.898 182 H SER 24 H SER 24 22.260 9.006 -25.003 183 HA SER 24 HA SER 24 23.419 10.797 -26.808 184 HB2 SER 24 2HB SER 24 21.673 12.053 -24.888 185 HB3 SER 24 3HB SER 24 23.335 12.579 -24.623 186 HG SER 24 HG SER 24 23.255 12.826 -27.076 187 H GLU 25 H GLU 25 25.583 10.990 -26.441 188 HA GLU 25 HA GLU 25 26.832 9.240 -24.664 189 HB2 GLU 25 2HB GLU 25 28.921 10.440 -25.241 190 HB3 GLU 25 3HB GLU 25 27.964 10.015 -26.653 191 HG2 GLU 25 2HG GLU 25 27.050 12.351 -26.613 192 HG3 GLU 25 3HG GLU 25 28.250 12.719 -25.376 193 H ALA 26 H ALA 26 25.809 12.542 -24.268 194 HA ALA 26 HA ALA 26 27.307 12.917 -21.816 195 HB1 ALA 26 1HB ALA 26 27.107 15.040 -22.427 196 HB2 ALA 26 2HB ALA 26 25.959 14.608 -23.695 197 HB3 ALA 26 3HB ALA 26 25.383 14.947 -22.063 198 H GLU 27 H GLU 27 23.961 12.348 -22.798 199 HA GLU 27 HA GLU 27 22.627 12.740 -20.427 200 HB2 GLU 27 2HB GLU 27 20.913 11.943 -21.614 201 HB3 GLU 27 3HB GLU 27 22.049 11.565 -22.901 202 HG2 GLU 27 2HG GLU 27 22.396 9.342 -21.927 203 HG3 GLU 27 3HG GLU 27 21.224 9.724 -20.667 204 H CYS 28 H CYS 28 24.638 10.027 -21.380 205 HA CYS 28 HA CYS 28 23.976 8.122 -19.517 206 HB2 CYS 28 2HB CYS 28 26.692 8.871 -20.606 207 HB3 CYS 28 3HB CYS 28 26.404 7.434 -19.633 208 HG CYS 28 HG CYS 28 25.892 5.959 -21.659 209 H ALA 29 H ALA 29 26.155 10.887 -19.097 210 HA ALA 29 HA ALA 29 27.065 10.330 -16.528 211 HB1 ALA 29 1HB ALA 29 27.921 12.119 -18.045 212 HB2 ALA 29 2HB ALA 29 26.508 13.084 -17.614 213 HB3 ALA 29 3HB ALA 29 27.679 12.633 -16.375 214 H ALA 30 H ALA 30 24.294 12.359 -17.489 215 HA ALA 30 HA ALA 30 23.393 13.019 -14.945 216 HB1 ALA 30 1HB ALA 30 21.248 12.549 -16.876 217 HB2 ALA 30 2HB ALA 30 21.709 14.024 -16.026 218 HB3 ALA 30 3HB ALA 30 22.564 13.548 -17.493 219 H PHE 31 H PHE 31 22.845 10.119 -16.856 220 HA PHE 31 HA PHE 31 20.791 9.007 -15.278 221 HB2 PHE 31 2HB PHE 31 22.723 7.959 -17.294 222 HB3 PHE 31 3HB PHE 31 21.871 6.797 -16.283 223 HD1 PHE 31 HD2 PHE 31 20.918 9.958 -18.028 224 HD2 PHE 31 HD1 PHE 31 20.110 5.831 -17.374 225 HE1 PHE 31 HE2 PHE 31 18.961 10.109 -19.512 226 HE2 PHE 31 HE1 PHE 31 18.152 5.975 -18.857 227 HZ PHE 31 HZ PHE 31 17.575 8.116 -19.927 228 H GLU 32 H GLU 32 24.306 8.439 -15.263 229 HA GLU 32 HA GLU 32 24.398 6.587 -13.193 230 HB2 GLU 32 2HB GLU 32 26.355 6.959 -14.506 231 HB3 GLU 32 3HB GLU 32 26.396 8.664 -14.079 232 HG2 GLU 32 2HG GLU 32 28.103 7.279 -12.930 233 HG3 GLU 32 3HG GLU 32 27.040 8.169 -11.842 234 H LYS 33 H LYS 33 24.587 10.128 -13.044 235 HA LYS 33 HA LYS 33 24.977 10.359 -10.280 236 HB2 LYS 33 2HB LYS 33 24.569 12.106 -12.466 237 HB3 LYS 33 3HB LYS 33 23.366 12.529 -11.254 238 HG2 LYS 33 2HG LYS 33 24.900 13.636 -10.113 239 HG3 LYS 33 3HG LYS 33 25.841 12.155 -9.925 240 HD2 LYS 33 2HD LYS 33 26.809 12.599 -12.200 241 HD3 LYS 33 3HD LYS 33 26.013 14.174 -12.157 242 HE2 LYS 33 2HE LYS 33 27.967 14.847 -11.260 243 HE3 LYS 33 3HE LYS 33 27.275 14.201 -9.772 244 HZ1 LYS 33 3HZ LYS 33 28.817 12.432 -11.546 245 HZ2 LYS 33 1HZ LYS 33 28.577 12.328 -9.875 246 HZ3 LYS 33 2HZ LYS 33 29.635 13.486 -10.506 247 H GLU 34 H GLU 34 21.956 10.554 -12.163 248 HA GLU 34 HA GLU 34 20.173 10.936 -10.093 249 HB2 GLU 34 2HB GLU 34 20.012 10.326 -12.827 250 HB3 GLU 34 3HB GLU 34 19.081 9.075 -12.015 251 HG2 GLU 34 2HG GLU 34 18.688 12.046 -11.739 252 HG3 GLU 34 3HG GLU 34 17.666 10.935 -12.649 253 H ILE 35 H ILE 35 21.346 7.845 -11.403 254 HA ILE 35 HA ILE 35 19.878 6.156 -9.726 255 HB ILE 35 HB ILE 35 22.587 5.709 -10.983 256 HG12 ILE 35 2HG1 ILE 35 20.701 6.147 -12.547 257 HG13 ILE 35 3HG1 ILE 35 21.365 4.525 -12.709 258 HG21 ILE 35 1HG2 ILE 35 21.510 3.239 -10.683 259 HG22 ILE 35 2HG2 ILE 35 22.674 3.962 -9.575 260 HG23 ILE 35 3HG2 ILE 35 20.950 4.036 -9.213 261 HD11 ILE 35 3HD1 ILE 35 19.510 3.649 -11.371 262 HD12 ILE 35 1HD1 ILE 35 18.838 5.276 -11.261 263 HD13 ILE 35 2HD1 ILE 35 18.955 4.474 -12.827 264 H ALA 36 H ALA 36 23.110 7.560 -9.313 265 HA ALA 36 HA ALA 36 23.858 6.289 -6.964 266 HB1 ALA 36 1HB ALA 36 25.523 7.888 -6.752 267 HB2 ALA 36 2HB ALA 36 25.171 7.921 -8.480 268 HB3 ALA 36 3HB ALA 36 24.516 9.172 -7.423 269 H ALA 37 H ALA 37 22.087 9.353 -7.347 270 HA ALA 37 HA ALA 37 21.760 9.835 -4.581 271 HB1 ALA 37 1HB ALA 37 21.143 11.788 -5.433 272 HB2 ALA 37 2HB ALA 37 20.982 11.082 -7.042 273 HB3 ALA 37 3HB ALA 37 19.618 11.051 -5.924 274 H PHE 38 H PHE 38 19.894 8.027 -6.936 275 HA PHE 38 HA PHE 38 17.513 7.739 -5.489 276 HB2 PHE 38 2HB PHE 38 18.680 6.634 -7.870 277 HB3 PHE 38 3HB PHE 38 17.940 5.343 -6.928 278 HD1 PHE 38 HD1 PHE 38 16.912 8.895 -7.329 279 HD2 PHE 38 HD2 PHE 38 15.987 4.802 -8.044 280 HE1 PHE 38 HE1 PHE 38 14.699 9.547 -8.183 281 HE2 PHE 38 HE2 PHE 38 13.774 5.448 -8.900 282 HZ PHE 38 HZ PHE 38 13.127 7.823 -8.972 283 H GLU 39 H GLU 39 20.305 5.533 -5.698 284 HA GLU 39 HA GLU 39 19.339 3.695 -3.788 285 HB2 GLU 39 2HB GLU 39 21.695 2.893 -3.702 286 HB3 GLU 39 3HB GLU 39 21.055 3.023 -5.334 287 HG2 GLU 39 2HG GLU 39 22.221 5.159 -5.613 288 HG3 GLU 39 3HG GLU 39 22.880 5.000 -3.986 289 H SER 40 H SER 40 21.412 6.539 -3.525 290 HA SER 40 HA SER 40 22.119 6.180 -0.810 291 HB2 SER 40 2HB SER 40 23.173 7.741 -2.592 292 HB3 SER 40 3HB SER 40 21.916 8.883 -2.116 293 HG SER 40 HG SER 40 22.805 8.242 0.132 294 H GLU 41 H GLU 41 19.365 7.627 -2.401 295 HA GLU 41 HA GLU 41 18.359 8.864 0.003 296 HB2 GLU 41 2HB GLU 41 17.334 8.558 -2.802 297 HB3 GLU 41 3HB GLU 41 16.268 9.118 -1.521 298 HG2 GLU 41 2HG GLU 41 18.692 10.599 -1.389 299 HG3 GLU 41 3HG GLU 41 18.111 10.608 -3.053 300 H LEU 42 H LEU 42 17.927 5.868 -1.726 301 HA LEU 42 HA LEU 42 15.550 5.089 -0.315 302 HB2 LEU 42 2HB LEU 42 17.475 3.575 -2.064 303 HB3 LEU 42 3HB LEU 42 16.044 2.846 -1.339 304 HG LEU 42 HG LEU 42 15.762 5.263 -3.077 305 HD11 LEU 42 1HD1 LEU 42 16.536 4.215 -4.869 306 HD12 LEU 42 2HD1 LEU 42 15.278 2.998 -4.661 307 HD13 LEU 42 3HD1 LEU 42 16.864 2.760 -3.928 308 HD21 LEU 42 3HD2 LEU 42 13.680 4.827 -2.338 309 HD22 LEU 42 1HD2 LEU 42 14.057 3.150 -1.941 310 HD23 LEU 42 2HD2 LEU 42 13.699 3.602 -3.608 311 H GLN 43 H GLN 43 18.989 4.691 0.108 312 HA GLN 43 HA GLN 43 18.783 2.619 2.079 313 HB2 GLN 43 2HB GLN 43 21.131 2.787 2.294 314 HB3 GLN 43 3HB GLN 43 20.791 3.082 0.594 315 HG2 GLN 43 2HG GLN 43 21.979 4.938 0.747 316 HG3 GLN 43 3HG GLN 43 20.723 5.594 1.796 317 HE21 GLN 43 1HE2 GLN 43 23.905 4.319 1.602 318 HE22 GLN 43 2HE2 GLN 43 24.342 4.562 3.256 319 H ALA 44 H ALA 44 18.356 5.988 2.096 320 HA ALA 44 HA ALA 44 19.056 6.345 4.888 321 HB1 ALA 44 1HB ALA 44 17.634 8.337 3.144 322 HB2 ALA 44 2HB ALA 44 18.621 8.637 4.575 323 HB3 ALA 44 3HB ALA 44 19.380 8.095 3.078 324 H TYR 45 H TYR 45 16.349 5.355 3.096 325 HA TYR 45 HA TYR 45 14.188 6.372 4.493 326 HB2 TYR 45 2HB TYR 45 14.695 3.977 2.845 327 HB3 TYR 45 3HB TYR 45 13.328 3.853 3.946 328 HD1 TYR 45 HD1 TYR 45 12.054 6.386 3.946 329 HD2 TYR 45 HD2 TYR 45 13.977 4.416 0.702 330 HE1 TYR 45 HE1 TYR 45 10.660 7.649 2.361 331 HE2 TYR 45 HE2 TYR 45 12.589 5.674 -0.892 332 HH TYR 45 HH TYR 45 10.643 6.925 -1.051 333 H LYS 46 H LYS 46 15.628 3.154 5.050 334 HA LYS 46 HA LYS 46 15.872 3.403 7.826 335 HB2 LYS 46 2HB LYS 46 13.192 2.777 6.881 336 HB3 LYS 46 3HB LYS 46 13.821 1.526 7.946 337 HG2 LYS 46 2HG LYS 46 13.701 2.833 9.764 338 HG3 LYS 46 3HG LYS 46 14.231 4.274 8.893 339 HD2 LYS 46 2HD LYS 46 12.115 4.903 8.380 340 HD3 LYS 46 3HD LYS 46 11.551 3.240 8.200 341 HE2 LYS 46 2HE LYS 46 11.969 3.222 10.821 342 HE3 LYS 46 3HE LYS 46 11.701 4.953 10.622 343 HZ1 LYS 46 3HZ LYS 46 9.831 2.865 9.647 344 HZ2 LYS 46 1HZ LYS 46 9.566 4.536 9.682 345 HZ3 LYS 46 2HZ LYS 46 9.665 3.665 11.129 346 H GLY 47 H GLY 47 14.436 0.710 5.995 347 HA2 GLY 47 2HA GLY 47 15.651 -1.118 5.074 348 HA3 GLY 47 3HA GLY 47 17.016 -0.686 6.093 349 H LYS 48 H LYS 48 16.309 -0.731 8.560 350 HA LYS 48 HA LYS 48 16.029 -3.374 9.297 351 HB2 LYS 48 2HB LYS 48 15.395 -2.473 11.561 352 HB3 LYS 48 3HB LYS 48 16.876 -1.809 10.883 353 HG2 LYS 48 2HG LYS 48 15.513 0.151 10.099 354 HG3 LYS 48 3HG LYS 48 14.178 -0.493 11.058 355 HD2 LYS 48 2HD LYS 48 15.036 0.359 12.927 356 HD3 LYS 48 3HD LYS 48 16.593 -0.416 12.622 357 HE2 LYS 48 2HE LYS 48 17.242 1.437 11.177 358 HE3 LYS 48 3HE LYS 48 15.675 2.202 11.435 359 HZ1 LYS 48 3HZ LYS 48 17.909 1.884 13.328 360 HZ2 LYS 48 1HZ LYS 48 16.331 2.084 13.904 361 HZ3 LYS 48 2HZ LYS 48 17.035 3.278 12.935 362 H GLY 49 H GLY 49 13.498 -0.873 9.173 363 HA2 GLY 49 2HA GLY 49 11.488 -3.011 9.470 364 HA3 GLY 49 3HA GLY 49 11.219 -1.318 9.856 365 H ASN 50 H ASN 50 12.970 -1.919 6.979 366 HA ASN 50 HA ASN 50 10.552 -1.772 5.332 367 HB2 ASN 50 2HB ASN 50 12.914 0.081 4.956 368 HB3 ASN 50 3HB ASN 50 11.429 0.062 4.009 369 HD21 ASN 50 1HD2 ASN 50 10.051 1.588 4.514 370 HD22 ASN 50 2HD2 ASN 50 9.862 2.324 6.066 371 HA PRO 51 HA PRO 51 13.566 -4.865 3.707 372 HB2 PRO 51 2HB PRO 51 11.667 -6.696 3.066 373 HB3 PRO 51 3HB PRO 51 12.376 -6.572 4.680 374 HG2 PRO 51 2HG PRO 51 9.767 -5.506 3.670 375 HG3 PRO 51 3HG PRO 51 10.125 -6.318 5.205 376 HD2 PRO 51 2HD PRO 51 9.879 -3.629 5.003 377 HD3 PRO 51 3HD PRO 51 10.975 -4.403 6.165 378 H GLU 52 H GLU 52 10.837 -3.175 2.472 379 HA GLU 52 HA GLU 52 10.780 -4.150 -0.166 380 HB2 GLU 52 2HB GLU 52 9.646 -2.004 -0.705 381 HB3 GLU 52 3HB GLU 52 8.948 -2.833 0.679 382 HG2 GLU 52 2HG GLU 52 10.566 -1.295 2.038 383 HG3 GLU 52 3HG GLU 52 10.525 -0.311 0.577 384 H VAL 53 H VAL 53 12.768 -1.737 1.416 385 HA VAL 53 HA VAL 53 13.857 -0.529 -0.883 386 HB VAL 53 HB VAL 53 15.176 -0.863 1.814 387 HG11 VAL 53 1HG1 VAL 53 16.376 1.211 1.163 388 HG12 VAL 53 2HG1 VAL 53 16.768 -0.178 0.147 389 HG13 VAL 53 3HG1 VAL 53 15.670 1.069 -0.446 390 HG21 VAL 53 3HG2 VAL 53 12.879 0.676 0.990 391 HG22 VAL 53 1HG2 VAL 53 13.554 0.441 2.602 392 HG23 VAL 53 2HG2 VAL 53 14.173 1.726 1.565 393 H GLU 54 H GLU 54 14.387 -3.598 0.549 394 HA GLU 54 HA GLU 54 17.007 -4.191 -0.054 395 HB2 GLU 54 2HB GLU 54 14.555 -5.945 -0.208 396 HB3 GLU 54 3HB GLU 54 16.193 -6.562 -0.369 397 HG2 GLU 54 2HG GLU 54 15.523 -4.925 2.018 398 HG3 GLU 54 3HG GLU 54 14.936 -6.585 1.936 399 H ALA 55 H ALA 55 14.212 -4.857 -2.171 400 HA ALA 55 HA ALA 55 15.664 -5.659 -4.410 401 HB1 ALA 55 1HB ALA 55 12.911 -4.784 -3.876 402 HB2 ALA 55 2HB ALA 55 13.456 -4.575 -5.541 403 HB3 ALA 55 3HB ALA 55 13.508 -6.170 -4.789 404 H LEU 56 H LEU 56 14.763 -2.448 -3.302 405 HA LEU 56 HA LEU 56 15.443 -1.046 -5.659 406 HB2 LEU 56 2HB LEU 56 15.196 -0.245 -2.778 407 HB3 LEU 56 3HB LEU 56 15.694 0.905 -4.016 408 HG LEU 56 HG LEU 56 13.138 -0.614 -4.337 409 HD11 LEU 56 1HD1 LEU 56 12.562 1.913 -3.225 410 HD12 LEU 56 2HD1 LEU 56 13.715 1.122 -2.151 411 HD13 LEU 56 3HD1 LEU 56 12.200 0.320 -2.562 412 HD21 LEU 56 3HD2 LEU 56 14.411 1.073 -5.981 413 HD22 LEU 56 1HD2 LEU 56 13.470 2.236 -5.047 414 HD23 LEU 56 2HD2 LEU 56 12.653 0.936 -5.914 415 H ARG 57 H ARG 57 17.283 -1.874 -2.751 416 HA ARG 57 HA ARG 57 19.620 -0.443 -3.417 417 HB2 ARG 57 2HB ARG 57 19.296 -1.167 -1.154 418 HB3 ARG 57 3HB ARG 57 19.172 -2.849 -1.651 419 HG2 ARG 57 2HG ARG 57 21.682 -1.435 -2.320 420 HG3 ARG 57 3HG ARG 57 21.390 -1.806 -0.620 421 HD2 ARG 57 2HD ARG 57 20.717 -4.102 -2.144 422 HD3 ARG 57 3HD ARG 57 22.292 -3.532 -2.694 423 HE ARG 57 HE ARG 57 22.181 -3.591 0.136 424 HH11 ARG 57 1HH1 ARG 57 22.454 -5.660 -2.650 425 HH12 ARG 57 2HH1 ARG 57 23.315 -6.903 -1.806 426 HH21 ARG 57 1HH2 ARG 57 23.316 -5.220 1.259 427 HH22 ARG 57 2HH2 ARG 57 23.804 -6.653 0.418 428 H LYS 58 H LYS 58 18.642 -3.799 -4.001 429 HA LYS 58 HA LYS 58 21.053 -4.657 -5.176 430 HB2 LYS 58 2HB LYS 58 19.242 -6.160 -4.353 431 HB3 LYS 58 3HB LYS 58 18.263 -5.682 -5.733 432 HG2 LYS 58 2HG LYS 58 19.155 -7.648 -6.487 433 HG3 LYS 58 3HG LYS 58 20.333 -6.490 -7.108 434 HD2 LYS 58 2HD LYS 58 21.541 -6.921 -4.839 435 HD3 LYS 58 3HD LYS 58 20.570 -8.395 -4.814 436 HE2 LYS 58 2HE LYS 58 21.488 -9.058 -6.964 437 HE3 LYS 58 3HE LYS 58 22.409 -7.558 -7.055 438 HZ1 LYS 58 3HZ LYS 58 24.032 -8.519 -5.923 439 HZ2 LYS 58 1HZ LYS 58 23.159 -9.968 -5.864 440 HZ3 LYS 58 2HZ LYS 58 22.994 -8.830 -4.624 441 H GLU 59 H GLU 59 17.974 -3.803 -6.773 442 HA GLU 59 HA GLU 59 18.882 -3.873 -9.389 443 HB2 GLU 59 2HB GLU 59 16.738 -2.181 -8.106 444 HB3 GLU 59 3HB GLU 59 17.014 -2.221 -9.842 445 HG2 GLU 59 2HG GLU 59 16.817 -4.896 -8.903 446 HG3 GLU 59 3HG GLU 59 15.459 -3.972 -8.263 447 H ALA 60 H ALA 60 18.702 -1.055 -7.219 448 HA ALA 60 HA ALA 60 19.703 0.884 -8.902 449 HB1 ALA 60 1HB ALA 60 20.335 0.671 -5.963 450 HB2 ALA 60 2HB ALA 60 20.294 2.136 -6.946 451 HB3 ALA 60 3HB ALA 60 18.803 1.255 -6.612 452 H ALA 61 H ALA 61 21.576 -1.188 -6.687 453 HA ALA 61 HA ALA 61 24.113 -0.256 -7.294 454 HB1 ALA 61 1HB ALA 61 23.567 -1.826 -5.460 455 HB2 ALA 61 2HB ALA 61 23.392 -3.113 -6.654 456 HB3 ALA 61 3HB ALA 61 24.957 -2.335 -6.419 457 H ALA 62 H ALA 62 22.265 -2.843 -8.877 458 HA ALA 62 HA ALA 62 24.214 -3.666 -10.697 459 HB1 ALA 62 1HB ALA 62 22.501 -4.780 -11.855 460 HB2 ALA 62 2HB ALA 62 21.975 -4.755 -10.172 461 HB3 ALA 62 3HB ALA 62 21.278 -3.623 -11.330 462 H ILE 63 H ILE 63 21.716 -1.163 -11.012 463 HA ILE 63 HA ILE 63 22.224 -0.457 -13.672 464 HB ILE 63 HB ILE 63 21.237 1.318 -11.436 465 HG12 ILE 63 2HG1 ILE 63 19.400 0.199 -13.476 466 HG13 ILE 63 3HG1 ILE 63 20.037 -0.941 -12.296 467 HG21 ILE 63 1HG2 ILE 63 20.192 2.598 -13.319 468 HG22 ILE 63 2HG2 ILE 63 21.951 2.694 -13.244 469 HG23 ILE 63 3HG2 ILE 63 21.175 1.642 -14.428 470 HD11 ILE 63 3HD1 ILE 63 17.800 0.331 -11.866 471 HD12 ILE 63 1HD1 ILE 63 18.940 0.047 -10.551 472 HD13 ILE 63 2HD1 ILE 63 18.876 1.624 -11.338 473 H ARG 64 H ARG 64 23.561 0.851 -10.652 474 HA ARG 64 HA ARG 64 25.118 2.884 -11.753 475 HB2 ARG 64 2HB ARG 64 24.751 2.762 -9.372 476 HB3 ARG 64 3HB ARG 64 25.568 1.207 -9.282 477 HG2 ARG 64 2HG ARG 64 27.178 3.386 -10.410 478 HG3 ARG 64 3HG ARG 64 26.723 3.583 -8.716 479 HD2 ARG 64 2HD ARG 64 27.487 0.978 -8.760 480 HD3 ARG 64 3HD ARG 64 28.562 1.668 -9.974 481 HE ARG 64 HE ARG 64 29.667 2.807 -8.313 482 HH11 ARG 64 1HH1 ARG 64 26.693 1.503 -7.058 483 HH12 ARG 64 2HH1 ARG 64 27.074 1.873 -5.409 484 HH21 ARG 64 1HH2 ARG 64 30.180 3.299 -6.145 485 HH22 ARG 64 2HH2 ARG 64 29.058 2.895 -4.891 486 H ASP 65 H ASP 65 25.965 -0.497 -11.070 487 HA ASP 65 HA ASP 65 28.639 -0.382 -11.880 488 HB2 ASP 65 2HB ASP 65 26.643 -2.641 -11.815 489 HB3 ASP 65 3HB ASP 65 28.315 -2.883 -12.312 490 H GLU 66 H GLU 66 25.697 -1.065 -13.727 491 HA GLU 66 HA GLU 66 26.952 -1.715 -16.159 492 HB2 GLU 66 2HB GLU 66 24.236 -0.444 -15.779 493 HB3 GLU 66 3HB GLU 66 24.785 -1.338 -17.190 494 HG2 GLU 66 2HG GLU 66 25.035 -2.874 -14.743 495 HG3 GLU 66 3HG GLU 66 23.380 -2.353 -15.052 496 H CYS 67 H CYS 67 25.729 1.367 -14.900 497 HA CYS 67 HA CYS 67 26.213 2.930 -17.166 498 HB2 CYS 67 2HB CYS 67 26.301 3.739 -14.251 499 HB3 CYS 67 3HB CYS 67 26.203 4.853 -15.609 500 HG CYS 67 HG CYS 67 23.676 4.865 -14.642 501 H GLN 68 H GLN 68 28.310 2.143 -14.423 502 HA GLN 68 HA GLN 68 30.483 3.758 -15.325 503 HB2 GLN 68 2HB GLN 68 30.433 1.470 -13.349 504 HB3 GLN 68 3HB GLN 68 31.785 2.568 -13.592 505 HG2 GLN 68 2HG GLN 68 29.565 4.201 -13.126 506 HG3 GLN 68 3HG GLN 68 29.447 2.882 -11.961 507 HE21 GLN 68 1HE2 GLN 68 30.489 5.895 -12.250 508 HE22 GLN 68 2HE2 GLN 68 31.841 5.882 -11.174 509 H ALA 69 H ALA 69 29.443 0.486 -15.891 510 HA ALA 69 HA ALA 69 31.910 -0.495 -16.920 511 HB1 ALA 69 1HB ALA 69 29.090 -1.487 -17.313 512 HB2 ALA 69 2HB ALA 69 30.548 -2.357 -17.792 513 HB3 ALA 69 3HB ALA 69 30.238 -2.027 -16.088 514 H TYR 70 H TYR 70 29.414 1.484 -18.202 515 HA TYR 70 HA TYR 70 29.688 0.885 -20.948 516 HB2 TYR 70 2HB TYR 70 28.786 3.426 -19.577 517 HB3 TYR 70 3HB TYR 70 28.626 3.112 -21.302 518 HD1 TYR 70 HD1 TYR 70 28.052 0.018 -20.511 519 HD2 TYR 70 HD2 TYR 70 26.307 3.787 -19.586 520 HE1 TYR 70 HE1 TYR 70 25.891 -1.087 -20.111 521 HE2 TYR 70 HE2 TYR 70 24.142 2.692 -19.182 522 HH TYR 70 HH TYR 70 23.726 -0.795 -19.679 523 H ARG 71 H ARG 71 31.295 3.225 -18.839 524 HA ARG 71 HA ARG 71 33.703 3.225 -20.236 525 HB2 ARG 71 2HB ARG 71 33.563 5.556 -21.224 526 HB3 ARG 71 3HB ARG 71 32.678 4.301 -22.080 527 HG2 ARG 71 2HG ARG 71 31.080 5.666 -20.061 528 HG3 ARG 71 3HG ARG 71 31.682 6.735 -21.329 529 HD2 ARG 71 2HD ARG 71 30.762 4.338 -22.547 530 HD3 ARG 71 3HD ARG 71 29.517 4.901 -21.433 531 HE ARG 71 HE ARG 71 29.148 6.712 -22.798 532 HH11 ARG 71 1HH1 ARG 71 32.084 5.103 -23.754 533 HH12 ARG 71 2HH1 ARG 71 32.260 6.013 -25.218 534 HH21 ARG 71 1HH2 ARG 71 29.368 7.915 -24.723 535 HH22 ARG 71 2HH2 ARG 71 30.715 7.612 -25.768 536 H HIS 72 H HIS 72 33.332 3.057 -17.647 537 HA HIS 72 HA HIS 72 34.875 5.099 -16.536 538 HB2 HIS 72 2HB HIS 72 32.332 6.029 -16.875 539 HB3 HIS 72 3HB HIS 72 32.246 5.386 -15.237 540 HD1 HIS 72 HD1 HIS 72 34.025 7.993 -17.285 541 HD2 HIS 72 HD2 HIS 72 33.561 6.873 -13.311 542 HE1 HIS 72 HE1 HIS 72 35.028 9.865 -15.937 543 H ASN 73 H ASN 73 34.863 2.316 -16.491 544 HA ASN 73 HA ASN 73 34.720 1.853 -13.611 545 HB2 ASN 73 2HB ASN 73 32.675 0.863 -14.130 546 HB3 ASN 73 3HB ASN 73 33.235 0.294 -15.699 547 HD21 ASN 73 1HD2 ASN 73 33.375 -0.241 -12.246 548 HD22 ASN 73 2HD2 ASN 73 33.873 -1.893 -12.329 Start of MODEL 17 1 H1 MET 1 H MET 1 3.516 -1.637 -5.921 2 HA MET 1 HA MET 1 1.851 0.408 -6.774 3 HB2 MET 1 2HB MET 1 1.588 -1.838 -4.843 4 HB3 MET 1 3HB MET 1 0.362 -0.579 -4.789 5 HG2 MET 1 2HG MET 1 -0.582 -1.240 -6.704 6 HG3 MET 1 3HG MET 1 0.970 -1.553 -7.478 7 HE1 MET 1 3HE MET 1 -1.809 -4.304 -7.451 8 HE2 MET 1 1HE MET 1 -1.078 -2.965 -8.337 9 HE3 MET 1 2HE MET 1 -0.354 -4.572 -8.413 10 H GLY 2 H GLY 2 1.015 2.245 -5.867 11 HA2 GLY 2 2HA GLY 2 0.679 3.914 -4.291 12 HA3 GLY 2 3HA GLY 2 1.503 2.914 -3.103 13 H SER 3 H SER 3 3.335 3.734 -2.372 14 HA SER 3 HA SER 3 4.612 5.921 -3.757 15 HB2 SER 3 2HB SER 3 5.708 4.592 -1.291 16 HB3 SER 3 3HB SER 3 5.835 6.279 -1.787 17 HG SER 3 HG SER 3 4.270 6.375 -0.319 18 H TRP 4 H TRP 4 5.151 2.518 -3.268 19 HA TRP 4 HA TRP 4 7.891 2.525 -4.096 20 HB2 TRP 4 2HB TRP 4 7.299 0.703 -2.735 21 HB3 TRP 4 3HB TRP 4 5.835 0.374 -3.658 22 HD1 TRP 4 HD1 TRP 4 6.152 -0.901 -6.033 23 HE1 TRP 4 HE1 TRP 4 8.010 -2.481 -6.856 24 HE3 TRP 4 HE3 TRP 4 9.763 0.232 -2.595 25 HZ2 TRP 4 HZ2 TRP 4 10.656 -3.158 -6.142 26 HZ3 TRP 4 HZ3 TRP 4 11.929 -0.927 -2.735 27 HH2 TRP 4 HH2 TRP 4 12.364 -2.587 -4.471 28 H ALA 5 H ALA 5 4.789 2.049 -5.678 29 HA ALA 5 HA ALA 5 5.540 0.953 -8.088 30 HB1 ALA 5 1HB ALA 5 3.620 2.915 -8.707 31 HB2 ALA 5 2HB ALA 5 3.357 1.200 -8.391 32 HB3 ALA 5 3HB ALA 5 3.271 2.363 -7.068 33 H GLU 6 H GLU 6 5.343 4.435 -7.332 34 HA GLU 6 HA GLU 6 6.262 5.424 -9.748 35 HB2 GLU 6 2HB GLU 6 6.446 6.458 -6.934 36 HB3 GLU 6 3HB GLU 6 7.169 7.350 -8.266 37 HG2 GLU 6 2HG GLU 6 4.387 6.516 -8.691 38 HG3 GLU 6 3HG GLU 6 4.636 7.683 -7.393 39 H PHE 7 H PHE 7 8.208 4.811 -6.822 40 HA PHE 7 HA PHE 7 10.699 5.410 -7.838 41 HB2 PHE 7 2HB PHE 7 9.654 3.897 -5.583 42 HB3 PHE 7 3HB PHE 7 11.166 3.223 -6.182 43 HD1 PHE 7 HD2 PHE 7 9.610 6.419 -5.099 44 HD2 PHE 7 HD1 PHE 7 13.189 4.160 -5.553 45 HE1 PHE 7 HE2 PHE 7 10.859 8.161 -3.893 46 HE2 PHE 7 HE1 PHE 7 14.443 5.899 -4.346 47 HZ PHE 7 HZ PHE 7 13.279 7.903 -3.515 48 H LYS 8 H LYS 8 8.871 2.405 -8.115 49 HA LYS 8 HA LYS 8 10.907 0.858 -9.305 50 HB2 LYS 8 2HB LYS 8 8.847 -0.085 -8.304 51 HB3 LYS 8 3HB LYS 8 7.913 0.591 -9.632 52 HG2 LYS 8 2HG LYS 8 8.414 -1.106 -10.977 53 HG3 LYS 8 3HG LYS 8 10.128 -1.034 -10.563 54 HD2 LYS 8 2HD LYS 8 9.617 -3.092 -9.712 55 HD3 LYS 8 3HD LYS 8 9.252 -2.095 -8.301 56 HE2 LYS 8 2HE LYS 8 7.262 -3.065 -10.350 57 HE3 LYS 8 3HE LYS 8 7.480 -3.725 -8.730 58 HZ1 LYS 8 3HZ LYS 8 6.163 -1.275 -9.573 59 HZ2 LYS 8 1HZ LYS 8 7.080 -1.167 -8.156 60 HZ3 LYS 8 2HZ LYS 8 5.824 -2.294 -8.266 61 H GLN 9 H GLN 9 8.412 2.957 -10.660 62 HA GLN 9 HA GLN 9 8.808 2.311 -13.366 63 HB2 GLN 9 2HB GLN 9 7.440 4.407 -11.843 64 HB3 GLN 9 3HB GLN 9 8.029 4.948 -13.409 65 HG2 GLN 9 2HG GLN 9 6.877 2.903 -14.378 66 HG3 GLN 9 3HG GLN 9 6.081 2.749 -12.813 67 HE21 GLN 9 1HE2 GLN 9 5.609 5.358 -12.168 68 HE22 GLN 9 2HE2 GLN 9 4.498 6.049 -13.295 69 H ARG 10 H ARG 10 10.316 4.738 -11.285 70 HA ARG 10 HA ARG 10 11.834 5.988 -13.323 71 HB2 ARG 10 2HB ARG 10 12.658 5.872 -10.431 72 HB3 ARG 10 3HB ARG 10 12.929 7.161 -11.596 73 HG2 ARG 10 2HG ARG 10 10.443 6.463 -10.098 74 HG3 ARG 10 3HG ARG 10 11.260 8.019 -10.252 75 HD2 ARG 10 2HD ARG 10 10.651 7.622 -12.816 76 HD3 ARG 10 3HD ARG 10 9.357 6.675 -12.084 77 HE ARG 10 HE ARG 10 9.553 9.231 -10.871 78 HH11 ARG 10 1HH1 ARG 10 8.438 7.618 -13.748 79 HH12 ARG 10 2HH1 ARG 10 7.219 8.799 -14.095 80 HH21 ARG 10 1HH2 ARG 10 7.952 10.793 -11.318 81 HH22 ARG 10 2HH2 ARG 10 6.944 10.605 -12.713 82 H LEU 11 H LEU 11 12.576 3.409 -11.006 83 HA LEU 11 HA LEU 11 15.285 3.100 -11.768 84 HB2 LEU 11 2HB LEU 11 13.333 1.653 -10.114 85 HB3 LEU 11 3HB LEU 11 14.605 0.652 -10.811 86 HG LEU 11 HG LEU 11 15.688 3.041 -9.585 87 HD11 LEU 11 1HD1 LEU 11 15.222 2.333 -7.250 88 HD12 LEU 11 2HD1 LEU 11 14.008 1.217 -7.875 89 HD13 LEU 11 3HD1 LEU 11 13.807 2.954 -8.102 90 HD21 LEU 11 3HD2 LEU 11 16.057 0.074 -9.234 91 HD22 LEU 11 1HD2 LEU 11 16.993 1.282 -8.355 92 HD23 LEU 11 2HD2 LEU 11 17.092 1.200 -10.114 93 H ALA 12 H ALA 12 12.279 1.687 -12.910 94 HA ALA 12 HA ALA 12 13.449 -0.334 -14.522 95 HB1 ALA 12 1HB ALA 12 11.233 -0.757 -14.066 96 HB2 ALA 12 2HB ALA 12 10.744 0.915 -14.345 97 HB3 ALA 12 3HB ALA 12 11.135 -0.129 -15.712 98 H ALA 13 H ALA 13 12.345 2.966 -15.194 99 HA ALA 13 HA ALA 13 12.857 2.885 -17.980 100 HB1 ALA 13 1HB ALA 13 11.988 4.948 -17.994 101 HB2 ALA 13 2HB ALA 13 11.604 4.636 -16.301 102 HB3 ALA 13 3HB ALA 13 13.072 5.517 -16.725 103 H ILE 14 H ILE 14 14.775 3.915 -15.196 104 HA ILE 14 HA ILE 14 16.940 4.974 -16.685 105 HB ILE 14 HB ILE 14 16.833 3.929 -13.855 106 HG12 ILE 14 2HG1 ILE 14 17.102 6.804 -14.663 107 HG13 ILE 14 3HG1 ILE 14 15.517 6.039 -14.687 108 HG21 ILE 14 1HG2 ILE 14 19.059 3.961 -13.900 109 HG22 ILE 14 2HG2 ILE 14 19.087 4.714 -15.494 110 HG23 ILE 14 3HG2 ILE 14 18.943 5.714 -14.048 111 HD11 ILE 14 3HD1 ILE 14 15.408 6.737 -12.570 112 HD12 ILE 14 1HD1 ILE 14 16.408 5.325 -12.230 113 HD13 ILE 14 2HD1 ILE 14 17.158 6.909 -12.429 114 H LYS 15 H LYS 15 16.295 1.790 -15.288 115 HA LYS 15 HA LYS 15 18.823 0.673 -15.942 116 HB2 LYS 15 2HB LYS 15 16.950 -0.142 -14.287 117 HB3 LYS 15 3HB LYS 15 16.357 -1.006 -15.699 118 HG2 LYS 15 2HG LYS 15 19.100 -1.532 -15.600 119 HG3 LYS 15 3HG LYS 15 18.526 -1.657 -13.936 120 HD2 LYS 15 2HD LYS 15 17.290 -3.059 -16.305 121 HD3 LYS 15 3HD LYS 15 18.409 -3.802 -15.160 122 HE2 LYS 15 2HE LYS 15 16.739 -4.235 -13.762 123 HE3 LYS 15 3HE LYS 15 16.299 -2.528 -13.716 124 HZ1 LYS 15 3HZ LYS 15 14.680 -4.405 -14.628 125 HZ2 LYS 15 1HZ LYS 15 15.472 -4.022 -16.073 126 HZ3 LYS 15 2HZ LYS 15 14.654 -2.818 -15.212 127 H THR 16 H THR 16 15.682 0.718 -17.562 128 HA THR 16 HA THR 16 16.323 -1.039 -19.662 129 HB THR 16 HB THR 16 14.353 1.256 -19.650 130 HG1 THR 16 HG1 THR 16 14.294 -1.386 -18.732 131 HG21 THR 16 3HG2 THR 16 14.735 0.675 -21.920 132 HG22 THR 16 1HG2 THR 16 13.242 -0.135 -21.449 133 HG23 THR 16 2HG2 THR 16 14.747 -1.049 -21.550 134 H ARG 17 H ARG 17 16.354 2.525 -19.561 135 HA ARG 17 HA ARG 17 17.401 2.854 -22.163 136 HB2 ARG 17 2HB ARG 17 17.245 4.638 -19.748 137 HB3 ARG 17 3HB ARG 17 18.069 5.162 -21.210 138 HG2 ARG 17 2HG ARG 17 16.155 5.604 -22.255 139 HG3 ARG 17 3HG ARG 17 15.425 4.081 -21.742 140 HD2 ARG 17 2HD ARG 17 14.422 5.014 -19.949 141 HD3 ARG 17 3HD ARG 17 15.774 6.099 -19.628 142 HE ARG 17 HE ARG 17 14.629 7.072 -21.911 143 HH11 ARG 17 1HH1 ARG 17 13.516 6.375 -18.687 144 HH12 ARG 17 2HH1 ARG 17 12.306 7.615 -18.696 145 HH21 ARG 17 1HH2 ARG 17 13.039 8.708 -21.936 146 HH22 ARG 17 2HH2 ARG 17 12.035 8.941 -20.545 147 H CYS 18 H CYS 18 18.893 2.395 -19.028 148 HA CYS 18 HA CYS 18 21.533 3.093 -19.842 149 HB2 CYS 18 2HB CYS 18 21.068 3.221 -17.516 150 HB3 CYS 18 3HB CYS 18 20.435 1.580 -17.477 151 HG CYS 18 HG CYS 18 22.655 0.909 -16.308 152 H GLN 19 H GLN 19 19.757 0.050 -19.558 153 HA GLN 19 HA GLN 19 21.968 -1.611 -20.228 154 HB2 GLN 19 2HB GLN 19 18.991 -2.120 -20.315 155 HB3 GLN 19 3HB GLN 19 20.211 -3.357 -20.592 156 HG2 GLN 19 2HG GLN 19 20.602 -1.871 -18.114 157 HG3 GLN 19 3HG GLN 19 19.072 -2.745 -18.186 158 HE21 GLN 19 1HE2 GLN 19 19.880 -4.072 -16.489 159 HE22 GLN 19 2HE2 GLN 19 20.979 -5.361 -16.830 160 H ALA 20 H ALA 20 19.458 0.001 -22.071 161 HA ALA 20 HA ALA 20 20.160 -1.332 -24.538 162 HB1 ALA 20 1HB ALA 20 18.592 0.708 -25.337 163 HB2 ALA 20 2HB ALA 20 17.971 -0.828 -24.729 164 HB3 ALA 20 3HB ALA 20 18.087 0.565 -23.653 165 H LEU 21 H LEU 21 20.892 1.672 -22.913 166 HA LEU 21 HA LEU 21 22.281 3.405 -23.406 167 HB2 LEU 21 2HB LEU 21 23.575 1.167 -24.939 168 HB3 LEU 21 3HB LEU 21 24.282 2.778 -24.839 169 HG LEU 21 HG LEU 21 23.776 0.906 -22.526 170 HD11 LEU 21 1HD1 LEU 21 25.888 0.203 -22.709 171 HD12 LEU 21 2HD1 LEU 21 26.493 1.816 -23.084 172 HD13 LEU 21 3HD1 LEU 21 25.802 0.815 -24.361 173 HD21 LEU 21 3HD2 LEU 21 25.504 3.013 -21.825 174 HD22 LEU 21 1HD2 LEU 21 23.881 2.691 -21.215 175 HD23 LEU 21 2HD2 LEU 21 24.105 3.747 -22.610 176 H GLY 22 H GLY 22 20.361 4.295 -24.566 177 HA2 GLY 22 2HA GLY 22 19.824 4.134 -27.248 178 HA3 GLY 22 3HA GLY 22 19.630 5.608 -26.310 179 H GLY 23 H GLY 23 22.501 5.802 -25.717 180 HA2 GLY 23 2HA GLY 23 24.531 6.046 -27.056 181 HA3 GLY 23 3HA GLY 23 23.501 6.471 -28.415 182 H SER 24 H SER 24 24.329 7.554 -25.129 183 HA SER 24 HA SER 24 24.760 10.238 -26.063 184 HB2 SER 24 2HB SER 24 22.423 9.657 -24.229 185 HB3 SER 24 3HB SER 24 23.066 11.268 -24.548 186 HG SER 24 HG SER 24 21.639 9.547 -26.235 187 H GLU 25 H GLU 25 26.550 10.796 -25.032 188 HA GLU 25 HA GLU 25 27.572 9.511 -22.767 189 HB2 GLU 25 2HB GLU 25 29.109 11.526 -22.639 190 HB3 GLU 25 3HB GLU 25 29.108 10.648 -24.162 191 HG2 GLU 25 2HG GLU 25 28.590 12.492 -25.259 192 HG3 GLU 25 3HG GLU 25 27.131 12.691 -24.289 193 H ALA 26 H ALA 26 25.240 12.009 -23.063 194 HA ALA 26 HA ALA 26 25.575 13.006 -20.368 195 HB1 ALA 26 1HB ALA 26 24.230 14.708 -20.976 196 HB2 ALA 26 2HB ALA 26 24.605 14.152 -22.607 197 HB3 ALA 26 3HB ALA 26 23.103 13.654 -21.829 198 H GLU 27 H GLU 27 23.222 11.031 -22.144 199 HA GLU 27 HA GLU 27 21.308 10.669 -20.198 200 HB2 GLU 27 2HB GLU 27 22.320 8.891 -22.392 201 HB3 GLU 27 3HB GLU 27 21.088 8.310 -21.281 202 HG2 GLU 27 2HG GLU 27 19.791 10.420 -21.895 203 HG3 GLU 27 3HG GLU 27 20.925 10.573 -23.236 204 H CYS 28 H CYS 28 24.209 8.675 -20.734 205 HA CYS 28 HA CYS 28 23.857 6.857 -18.678 206 HB2 CYS 28 2HB CYS 28 26.504 8.009 -19.582 207 HB3 CYS 28 3HB CYS 28 26.248 6.458 -18.791 208 HG CYS 28 HG CYS 28 26.845 5.993 -21.477 209 H ALA 29 H ALA 29 25.463 10.021 -18.579 210 HA ALA 29 HA ALA 29 26.291 9.923 -15.902 211 HB1 ALA 29 1HB ALA 29 27.001 11.576 -17.678 212 HB2 ALA 29 2HB ALA 29 25.498 12.438 -17.346 213 HB3 ALA 29 3HB ALA 29 26.702 12.242 -16.073 214 H ALA 30 H ALA 30 23.350 11.317 -17.343 215 HA ALA 30 HA ALA 30 22.180 12.316 -15.035 216 HB1 ALA 30 1HB ALA 30 20.421 12.765 -16.351 217 HB2 ALA 30 2HB ALA 30 21.460 12.189 -17.655 218 HB3 ALA 30 3HB ALA 30 20.289 11.098 -16.914 219 H PHE 31 H PHE 31 22.146 9.039 -16.338 220 HA PHE 31 HA PHE 31 20.237 7.991 -14.527 221 HB2 PHE 31 2HB PHE 31 22.392 6.670 -16.180 222 HB3 PHE 31 3HB PHE 31 21.237 5.767 -15.204 223 HD1 PHE 31 HD2 PHE 31 18.764 7.283 -15.664 224 HD2 PHE 31 HD1 PHE 31 21.849 6.155 -18.371 225 HE1 PHE 31 HE2 PHE 31 17.151 7.340 -17.521 226 HE2 PHE 31 HE1 PHE 31 20.241 6.211 -20.232 227 HZ PHE 31 HZ PHE 31 17.889 6.803 -19.808 228 H GLU 32 H GLU 32 23.795 7.832 -14.569 229 HA GLU 32 HA GLU 32 24.205 6.388 -12.255 230 HB2 GLU 32 2HB GLU 32 25.846 7.538 -14.040 231 HB3 GLU 32 3HB GLU 32 26.022 8.689 -12.722 232 HG2 GLU 32 2HG GLU 32 26.285 5.786 -12.132 233 HG3 GLU 32 3HG GLU 32 27.611 6.619 -12.942 234 H LYS 33 H LYS 33 23.775 9.894 -12.597 235 HA LYS 33 HA LYS 33 24.093 10.507 -9.857 236 HB2 LYS 33 2HB LYS 33 23.523 11.918 -12.272 237 HB3 LYS 33 3HB LYS 33 22.333 12.390 -11.066 238 HG2 LYS 33 2HG LYS 33 24.151 13.912 -10.929 239 HG3 LYS 33 3HG LYS 33 24.218 12.873 -9.504 240 HD2 LYS 33 2HD LYS 33 26.150 11.875 -10.158 241 HD3 LYS 33 3HD LYS 33 25.746 11.974 -11.873 242 HE2 LYS 33 2HE LYS 33 27.470 13.487 -11.737 243 HE3 LYS 33 3HE LYS 33 26.078 14.541 -11.494 244 HZ1 LYS 33 3HZ LYS 33 27.145 15.196 -9.667 245 HZ2 LYS 33 1HZ LYS 33 28.209 13.880 -9.685 246 HZ3 LYS 33 2HZ LYS 33 26.678 13.720 -8.985 247 H GLU 34 H GLU 34 21.134 10.252 -11.835 248 HA GLU 34 HA GLU 34 19.263 10.629 -9.843 249 HB2 GLU 34 2HB GLU 34 19.288 9.565 -12.525 250 HB3 GLU 34 3HB GLU 34 18.192 8.635 -11.512 251 HG2 GLU 34 2HG GLU 34 17.460 11.113 -10.803 252 HG3 GLU 34 3HG GLU 34 18.006 11.421 -12.450 253 H ILE 35 H ILE 35 20.741 7.568 -10.886 254 HA ILE 35 HA ILE 35 19.363 5.898 -9.101 255 HB ILE 35 HB ILE 35 22.087 5.568 -10.359 256 HG12 ILE 35 2HG1 ILE 35 20.157 5.681 -11.911 257 HG13 ILE 35 3HG1 ILE 35 20.934 4.101 -11.920 258 HG21 ILE 35 1HG2 ILE 35 21.345 3.053 -9.822 259 HG22 ILE 35 2HG2 ILE 35 22.331 4.020 -8.726 260 HG23 ILE 35 3HG2 ILE 35 20.595 3.873 -8.453 261 HD11 ILE 35 3HD1 ILE 35 19.164 3.278 -10.402 262 HD12 ILE 35 1HD1 ILE 35 18.363 4.842 -10.548 263 HD13 ILE 35 2HD1 ILE 35 18.560 3.815 -11.969 264 H ALA 36 H ALA 36 22.458 7.594 -8.787 265 HA ALA 36 HA ALA 36 23.295 6.544 -6.353 266 HB1 ALA 36 1HB ALA 36 24.979 7.810 -7.120 267 HB2 ALA 36 2HB ALA 36 23.895 8.932 -7.942 268 HB3 ALA 36 3HB ALA 36 24.199 9.106 -6.214 269 H ALA 37 H ALA 37 21.284 9.413 -6.971 270 HA ALA 37 HA ALA 37 20.909 10.060 -4.236 271 HB1 ALA 37 1HB ALA 37 18.957 10.820 -6.376 272 HB2 ALA 37 2HB ALA 37 19.479 11.738 -4.963 273 HB3 ALA 37 3HB ALA 37 20.571 11.530 -6.332 274 H PHE 38 H PHE 38 19.233 7.963 -6.478 275 HA PHE 38 HA PHE 38 16.835 7.632 -5.051 276 HB2 PHE 38 2HB PHE 38 18.107 6.457 -7.346 277 HB3 PHE 38 3HB PHE 38 17.424 5.186 -6.337 278 HD1 PHE 38 HD2 PHE 38 16.219 8.642 -7.007 279 HD2 PHE 38 HD1 PHE 38 15.512 4.464 -7.410 280 HE1 PHE 38 HE2 PHE 38 13.988 9.112 -7.932 281 HE2 PHE 38 HE1 PHE 38 13.280 4.928 -8.337 282 HZ PHE 38 HZ PHE 38 12.515 7.254 -8.598 283 H GLU 39 H GLU 39 19.747 5.574 -5.110 284 HA GLU 39 HA GLU 39 18.857 3.831 -3.069 285 HB2 GLU 39 2HB GLU 39 21.194 3.059 -2.989 286 HB3 GLU 39 3HB GLU 39 20.591 3.161 -4.637 287 HG2 GLU 39 2HG GLU 39 21.743 5.309 -4.911 288 HG3 GLU 39 3HG GLU 39 22.375 5.164 -3.273 289 H SER 40 H SER 40 20.787 6.778 -3.044 290 HA SER 40 HA SER 40 21.550 6.627 -0.315 291 HB2 SER 40 2HB SER 40 22.745 8.025 -1.964 292 HB3 SER 40 3HB SER 40 21.327 9.064 -2.099 293 HG SER 40 HG SER 40 23.043 9.760 -0.606 294 H GLU 41 H GLU 41 18.731 7.824 -1.978 295 HA GLU 41 HA GLU 41 17.713 9.237 0.327 296 HB2 GLU 41 2HB GLU 41 16.699 8.690 -2.441 297 HB3 GLU 41 3HB GLU 41 15.596 9.275 -1.203 298 HG2 GLU 41 2HG GLU 41 18.109 10.776 -1.457 299 HG3 GLU 41 3HG GLU 41 17.025 10.864 -2.845 300 H LEU 42 H LEU 42 17.325 6.110 -1.179 301 HA LEU 42 HA LEU 42 15.019 5.386 0.388 302 HB2 LEU 42 2HB LEU 42 16.855 3.770 -1.371 303 HB3 LEU 42 3HB LEU 42 15.425 3.120 -0.572 304 HG LEU 42 HG LEU 42 15.119 5.467 -2.387 305 HD11 LEU 42 1HD1 LEU 42 16.148 2.876 -3.189 306 HD12 LEU 42 2HD1 LEU 42 16.000 4.371 -4.112 307 HD13 LEU 42 3HD1 LEU 42 14.627 3.272 -3.988 308 HD21 LEU 42 3HD2 LEU 42 13.459 3.306 -1.236 309 HD22 LEU 42 1HD2 LEU 42 13.057 3.835 -2.871 310 HD23 LEU 42 2HD2 LEU 42 13.069 4.999 -1.546 311 H GLN 43 H GLN 43 18.474 5.096 0.651 312 HA GLN 43 HA GLN 43 18.423 3.091 2.707 313 HB2 GLN 43 2HB GLN 43 20.768 3.284 2.760 314 HB3 GLN 43 3HB GLN 43 20.334 3.554 1.078 315 HG2 GLN 43 2HG GLN 43 21.634 5.352 1.214 316 HG3 GLN 43 3HG GLN 43 20.294 6.087 2.093 317 HE21 GLN 43 1HE2 GLN 43 21.394 7.354 3.477 318 HE22 GLN 43 2HE2 GLN 43 22.500 6.770 4.668 319 H ALA 44 H ALA 44 18.114 6.510 2.581 320 HA ALA 44 HA ALA 44 18.954 7.040 5.269 321 HB1 ALA 44 1HB ALA 44 17.125 8.875 3.797 322 HB2 ALA 44 2HB ALA 44 18.500 9.247 4.838 323 HB3 ALA 44 3HB ALA 44 18.769 8.643 3.203 324 H TYR 45 H TYR 45 15.978 6.120 3.720 325 HA TYR 45 HA TYR 45 14.071 6.952 5.530 326 HB2 TYR 45 2HB TYR 45 14.274 4.541 3.756 327 HB3 TYR 45 3HB TYR 45 12.908 4.716 4.852 328 HD1 TYR 45 HD2 TYR 45 12.280 7.540 4.740 329 HD2 TYR 45 HD1 TYR 45 13.505 4.934 1.608 330 HE1 TYR 45 HE2 TYR 45 11.146 8.983 3.103 331 HE2 TYR 45 HE1 TYR 45 12.376 6.371 -0.038 332 HH TYR 45 HH TYR 45 10.495 8.034 -0.046 333 H LYS 46 H LYS 46 15.649 3.750 5.531 334 HA LYS 46 HA LYS 46 15.997 3.762 8.363 335 HB2 LYS 46 2HB LYS 46 13.475 2.916 7.439 336 HB3 LYS 46 3HB LYS 46 14.347 1.450 7.871 337 HG2 LYS 46 2HG LYS 46 14.476 2.015 10.091 338 HG3 LYS 46 3HG LYS 46 14.340 3.746 9.770 339 HD2 LYS 46 2HD LYS 46 11.951 2.776 8.833 340 HD3 LYS 46 3HD LYS 46 12.255 1.750 10.236 341 HE2 LYS 46 2HE LYS 46 12.892 4.202 11.219 342 HE3 LYS 46 3HE LYS 46 11.608 4.612 10.084 343 HZ1 LYS 46 3HZ LYS 46 11.136 2.348 11.861 344 HZ2 LYS 46 1HZ LYS 46 10.059 3.524 11.298 345 HZ3 LYS 46 2HZ LYS 46 11.120 3.887 12.564 346 H GLY 47 H GLY 47 15.653 1.692 5.494 347 HA2 GLY 47 2HA GLY 47 16.987 0.016 4.669 348 HA3 GLY 47 3HA GLY 47 18.310 0.814 5.506 349 H LYS 48 H LYS 48 18.492 -1.830 5.333 350 HA LYS 48 HA LYS 48 18.941 -3.654 6.624 351 HB2 LYS 48 2HB LYS 48 17.886 -2.169 9.021 352 HB3 LYS 48 3HB LYS 48 19.079 -3.460 8.978 353 HG2 LYS 48 2HG LYS 48 19.442 -0.634 8.005 354 HG3 LYS 48 3HG LYS 48 20.171 -1.370 9.434 355 HD2 LYS 48 2HD LYS 48 21.092 -3.098 7.682 356 HD3 LYS 48 3HD LYS 48 20.811 -1.774 6.548 357 HE2 LYS 48 2HE LYS 48 22.186 -0.304 7.979 358 HE3 LYS 48 3HE LYS 48 22.513 -1.676 9.037 359 HZ1 LYS 48 3HZ LYS 48 23.523 -1.123 6.346 360 HZ2 LYS 48 1HZ LYS 48 23.293 -2.740 6.788 361 HZ3 LYS 48 2HZ LYS 48 24.329 -1.756 7.693 362 H GLY 49 H GLY 49 16.119 -2.256 8.303 363 HA2 GLY 49 2HA GLY 49 14.780 -4.776 8.403 364 HA3 GLY 49 3HA GLY 49 14.102 -3.220 8.857 365 H ASN 50 H ASN 50 13.740 -1.745 6.835 366 HA ASN 50 HA ASN 50 11.667 -2.782 5.351 367 HB2 ASN 50 2HB ASN 50 13.545 -0.553 4.535 368 HB3 ASN 50 3HB ASN 50 11.948 -0.846 3.854 369 HD21 ASN 50 1HD2 ASN 50 10.114 -0.463 5.131 370 HD22 ASN 50 2HD2 ASN 50 10.184 0.560 6.522 371 HA PRO 51 HA PRO 51 14.043 -5.516 2.687 372 HB2 PRO 51 2HB PRO 51 11.868 -6.770 1.654 373 HB3 PRO 51 3HB PRO 51 12.538 -7.161 3.243 374 HG2 PRO 51 2HG PRO 51 10.194 -5.433 2.548 375 HG3 PRO 51 3HG PRO 51 10.353 -6.636 3.842 376 HD2 PRO 51 2HD PRO 51 10.598 -3.976 4.287 377 HD3 PRO 51 3HD PRO 51 11.502 -5.187 5.219 378 H GLU 52 H GLU 52 11.690 -3.124 1.923 379 HA GLU 52 HA GLU 52 11.600 -3.433 -0.886 380 HB2 GLU 52 2HB GLU 52 10.779 -1.079 -0.883 381 HB3 GLU 52 3HB GLU 52 9.905 -2.135 0.218 382 HG2 GLU 52 2HG GLU 52 11.774 -1.176 1.890 383 HG3 GLU 52 3HG GLU 52 11.626 0.186 0.781 384 H VAL 53 H VAL 53 13.592 -1.388 1.224 385 HA VAL 53 HA VAL 53 14.994 -0.016 -0.762 386 HB VAL 53 HB VAL 53 16.126 -0.847 1.910 387 HG11 VAL 53 1HG1 VAL 53 17.379 1.277 1.697 388 HG12 VAL 53 2HG1 VAL 53 17.778 0.110 0.435 389 HG13 VAL 53 3HG1 VAL 53 16.717 1.472 0.074 390 HG21 VAL 53 3HG2 VAL 53 14.248 0.184 2.672 391 HG22 VAL 53 1HG2 VAL 53 15.232 1.619 2.386 392 HG23 VAL 53 2HG2 VAL 53 14.030 1.123 1.195 393 H GLU 54 H GLU 54 15.199 -3.291 0.240 394 HA GLU 54 HA GLU 54 17.871 -3.862 -0.438 395 HB2 GLU 54 2HB GLU 54 15.504 -5.732 -0.613 396 HB3 GLU 54 3HB GLU 54 17.196 -6.189 -0.475 397 HG2 GLU 54 2HG GLU 54 17.271 -5.119 1.745 398 HG3 GLU 54 3HG GLU 54 15.549 -4.769 1.605 399 H ALA 55 H ALA 55 14.875 -4.272 -2.321 400 HA ALA 55 HA ALA 55 16.093 -5.182 -4.678 401 HB1 ALA 55 1HB ALA 55 13.949 -5.489 -5.155 402 HB2 ALA 55 2HB ALA 55 13.463 -4.435 -3.826 403 HB3 ALA 55 3HB ALA 55 13.789 -3.753 -5.419 404 H LEU 56 H LEU 56 15.096 -1.903 -3.722 405 HA LEU 56 HA LEU 56 15.855 -0.582 -6.059 406 HB2 LEU 56 2HB LEU 56 16.004 0.537 -3.267 407 HB3 LEU 56 3HB LEU 56 15.824 1.442 -4.769 408 HG LEU 56 HG LEU 56 13.699 -0.522 -4.168 409 HD11 LEU 56 1HD1 LEU 56 12.769 1.639 -2.801 410 HD12 LEU 56 2HD1 LEU 56 14.459 1.600 -2.299 411 HD13 LEU 56 3HD1 LEU 56 13.435 0.184 -2.059 412 HD21 LEU 56 3HD2 LEU 56 14.036 2.104 -5.501 413 HD22 LEU 56 1HD2 LEU 56 12.459 1.747 -4.797 414 HD23 LEU 56 2HD2 LEU 56 13.142 0.673 -6.018 415 H ARG 57 H ARG 57 17.722 -1.377 -3.165 416 HA ARG 57 HA ARG 57 20.061 0.032 -3.854 417 HB2 ARG 57 2HB ARG 57 19.412 -2.210 -1.990 418 HB3 ARG 57 3HB ARG 57 21.102 -1.867 -2.334 419 HG2 ARG 57 2HG ARG 57 20.758 0.456 -1.598 420 HG3 ARG 57 3HG ARG 57 19.087 0.058 -1.196 421 HD2 ARG 57 2HD ARG 57 20.047 -1.763 0.298 422 HD3 ARG 57 3HD ARG 57 21.609 -0.979 0.068 423 HE ARG 57 HE ARG 57 19.838 0.988 0.886 424 HH11 ARG 57 1HH1 ARG 57 21.174 -1.968 2.148 425 HH12 ARG 57 2HH1 ARG 57 21.082 -1.457 3.801 426 HH21 ARG 57 1HH2 ARG 57 19.711 1.672 3.058 427 HH22 ARG 57 2HH2 ARG 57 20.249 0.613 4.318 428 H LYS 58 H LYS 58 19.077 -3.327 -4.431 429 HA LYS 58 HA LYS 58 21.454 -4.198 -5.641 430 HB2 LYS 58 2HB LYS 58 18.718 -5.173 -5.354 431 HB3 LYS 58 3HB LYS 58 19.449 -5.651 -6.880 432 HG2 LYS 58 2HG LYS 58 21.070 -6.020 -4.431 433 HG3 LYS 58 3HG LYS 58 19.685 -7.090 -4.661 434 HD2 LYS 58 2HD LYS 58 21.127 -8.328 -5.863 435 HD3 LYS 58 3HD LYS 58 20.817 -7.142 -7.133 436 HE2 LYS 58 2HE LYS 58 22.758 -5.858 -5.825 437 HE3 LYS 58 3HE LYS 58 23.199 -7.513 -5.408 438 HZ1 LYS 58 3HZ LYS 58 23.879 -7.931 -7.482 439 HZ2 LYS 58 1HZ LYS 58 23.931 -6.250 -7.668 440 HZ3 LYS 58 2HZ LYS 58 22.580 -7.118 -8.197 441 H GLU 59 H GLU 59 18.398 -3.238 -7.220 442 HA GLU 59 HA GLU 59 19.281 -3.299 -9.839 443 HB2 GLU 59 2HB GLU 59 17.239 -1.497 -8.534 444 HB3 GLU 59 3HB GLU 59 17.480 -1.592 -10.273 445 HG2 GLU 59 2HG GLU 59 17.169 -4.214 -9.623 446 HG3 GLU 59 3HG GLU 59 16.108 -3.426 -8.456 447 H ALA 60 H ALA 60 19.290 -0.533 -7.600 448 HA ALA 60 HA ALA 60 20.339 1.402 -9.264 449 HB1 ALA 60 1HB ALA 60 21.406 2.274 -7.062 450 HB2 ALA 60 2HB ALA 60 19.650 2.196 -7.207 451 HB3 ALA 60 3HB ALA 60 20.517 0.945 -6.316 452 H ALA 61 H ALA 61 22.171 -0.780 -7.117 453 HA ALA 61 HA ALA 61 24.730 0.040 -7.801 454 HB1 ALA 61 1HB ALA 61 23.900 -1.654 -6.012 455 HB2 ALA 61 2HB ALA 61 24.171 -2.849 -7.282 456 HB3 ALA 61 3HB ALA 61 25.506 -1.844 -6.716 457 H ALA 62 H ALA 62 22.695 -2.428 -9.336 458 HA ALA 62 HA ALA 62 24.550 -3.371 -11.199 459 HB1 ALA 62 1HB ALA 62 21.784 -3.244 -12.160 460 HB2 ALA 62 2HB ALA 62 22.855 -4.631 -11.957 461 HB3 ALA 62 3HB ALA 62 21.976 -3.985 -10.571 462 H ILE 63 H ILE 63 22.163 -0.753 -11.487 463 HA ILE 63 HA ILE 63 22.682 -0.072 -14.150 464 HB ILE 63 HB ILE 63 21.766 1.718 -11.897 465 HG12 ILE 63 2HG1 ILE 63 19.924 0.715 -14.001 466 HG13 ILE 63 3HG1 ILE 63 20.469 -0.454 -12.803 467 HG21 ILE 63 1HG2 ILE 63 20.872 3.158 -13.682 468 HG22 ILE 63 2HG2 ILE 63 22.630 3.036 -13.737 469 HG23 ILE 63 3HG2 ILE 63 21.647 2.124 -14.883 470 HD11 ILE 63 3HD1 ILE 63 18.670 1.864 -12.516 471 HD12 ILE 63 1HD1 ILE 63 18.635 0.289 -11.724 472 HD13 ILE 63 2HD1 ILE 63 19.758 1.531 -11.169 473 H ARG 64 H ARG 64 24.124 1.132 -11.142 474 HA ARG 64 HA ARG 64 25.746 3.118 -12.253 475 HB2 ARG 64 2HB ARG 64 25.464 3.084 -9.893 476 HB3 ARG 64 3HB ARG 64 26.045 1.429 -9.775 477 HG2 ARG 64 2HG ARG 64 28.285 2.188 -10.448 478 HG3 ARG 64 3HG ARG 64 27.687 3.848 -10.491 479 HD2 ARG 64 2HD ARG 64 28.903 3.153 -8.385 480 HD3 ARG 64 3HD ARG 64 27.310 3.876 -8.162 481 HE ARG 64 HE ARG 64 27.285 1.001 -8.296 482 HH11 ARG 64 1HH1 ARG 64 27.637 3.781 -6.229 483 HH12 ARG 64 2HH1 ARG 64 27.170 2.934 -4.791 484 HH21 ARG 64 1HH2 ARG 64 26.669 -0.125 -6.410 485 HH22 ARG 64 2HH2 ARG 64 26.621 0.712 -4.895 486 H ASP 65 H ASP 65 26.466 -0.296 -11.574 487 HA ASP 65 HA ASP 65 29.128 -0.296 -12.418 488 HB2 ASP 65 2HB ASP 65 27.090 -2.529 -12.519 489 HB3 ASP 65 3HB ASP 65 28.826 -2.743 -12.726 490 H GLU 66 H GLU 66 26.147 -0.887 -14.242 491 HA GLU 66 HA GLU 66 27.326 -1.581 -16.684 492 HB2 GLU 66 2HB GLU 66 24.715 -0.113 -16.291 493 HB3 GLU 66 3HB GLU 66 25.184 -1.061 -17.695 494 HG2 GLU 66 2HG GLU 66 25.351 -2.602 -15.252 495 HG3 GLU 66 3HG GLU 66 23.739 -1.937 -15.507 496 H CYS 67 H CYS 67 26.240 1.586 -15.488 497 HA CYS 67 HA CYS 67 26.871 3.091 -17.746 498 HB2 CYS 67 2HB CYS 67 26.850 3.851 -14.823 499 HB3 CYS 67 3HB CYS 67 27.052 5.017 -16.124 500 HG CYS 67 HG CYS 67 24.461 5.355 -15.457 501 H GLN 68 H GLN 68 28.877 2.191 -14.975 502 HA GLN 68 HA GLN 68 31.148 3.695 -15.776 503 HB2 GLN 68 2HB GLN 68 30.877 1.324 -13.923 504 HB3 GLN 68 3HB GLN 68 32.365 2.237 -14.139 505 HG2 GLN 68 2HG GLN 68 30.948 4.283 -13.485 506 HG3 GLN 68 3HG GLN 68 29.798 3.096 -12.872 507 HE21 GLN 68 1HE2 GLN 68 31.491 1.182 -11.877 508 HE22 GLN 68 2HE2 GLN 68 32.375 1.830 -10.541 509 H ALA 69 H ALA 69 29.952 0.515 -16.548 510 HA ALA 69 HA ALA 69 32.422 -0.372 -17.747 511 HB1 ALA 69 1HB ALA 69 30.826 -1.932 -16.664 512 HB2 ALA 69 2HB ALA 69 29.681 -1.606 -17.966 513 HB3 ALA 69 3HB ALA 69 31.227 -2.375 -18.324 514 H TYR 70 H TYR 70 30.036 1.739 -18.682 515 HA TYR 70 HA TYR 70 30.274 1.086 -21.532 516 HB2 TYR 70 2HB TYR 70 28.409 2.993 -20.105 517 HB3 TYR 70 3HB TYR 70 28.419 2.699 -21.841 518 HD1 TYR 70 HD2 TYR 70 28.949 -0.344 -21.554 519 HD2 TYR 70 HD1 TYR 70 26.136 2.298 -19.762 520 HE1 TYR 70 HE2 TYR 70 27.390 -2.221 -21.247 521 HE2 TYR 70 HE1 TYR 70 24.570 0.428 -19.449 522 HH TYR 70 HH TYR 70 24.727 -2.383 -21.012 523 H ARG 71 H ARG 71 30.875 3.639 -19.184 524 HA ARG 71 HA ARG 71 32.621 4.945 -21.150 525 HB2 ARG 71 2HB ARG 71 30.356 6.106 -20.874 526 HB3 ARG 71 3HB ARG 71 30.896 6.526 -19.254 527 HG2 ARG 71 2HG ARG 71 32.832 7.693 -20.224 528 HG3 ARG 71 3HG ARG 71 32.226 7.314 -21.838 529 HD2 ARG 71 2HD ARG 71 30.574 8.860 -21.727 530 HD3 ARG 71 3HD ARG 71 30.324 8.623 -19.998 531 HE ARG 71 HE ARG 71 31.837 10.297 -19.575 532 HH11 ARG 71 1HH1 ARG 71 32.037 9.362 -22.923 533 HH12 ARG 71 2HH1 ARG 71 33.067 10.683 -23.365 534 HH21 ARG 71 1HH2 ARG 71 33.194 12.040 -20.145 535 HH22 ARG 71 2HH2 ARG 71 33.726 12.205 -21.785 536 H HIS 72 H HIS 72 33.481 3.175 -19.208 537 HA HIS 72 HA HIS 72 35.481 4.651 -17.909 538 HB2 HIS 72 2HB HIS 72 33.084 4.822 -16.533 539 HB3 HIS 72 3HB HIS 72 33.937 3.526 -15.700 540 HD1 HIS 72 HD1 HIS 72 35.572 4.244 -13.979 541 HD2 HIS 72 HD2 HIS 72 34.714 7.285 -16.677 542 HE1 HIS 72 HE1 HIS 72 36.772 6.275 -13.107 543 H ASN 73 H ASN 73 35.122 2.264 -19.489 544 HA ASN 73 HA ASN 73 36.591 0.411 -17.774 545 HB2 ASN 73 2HB ASN 73 34.433 -0.531 -17.562 546 HB3 ASN 73 3HB ASN 73 34.053 -0.247 -19.258 547 HD21 ASN 73 1HD2 ASN 73 34.102 -1.973 -20.484 548 HD22 ASN 73 2HD2 ASN 73 35.057 -3.389 -20.220 Start of MODEL 18 1 H1 MET 1 H MET 1 3.781 -1.087 -5.055 2 HA MET 1 HA MET 1 1.411 0.567 -5.535 3 HB2 MET 1 2HB MET 1 1.874 -1.789 -4.037 4 HB3 MET 1 3HB MET 1 1.507 -0.516 -2.881 5 HG2 MET 1 2HG MET 1 -0.345 -0.273 -4.992 6 HG3 MET 1 3HG MET 1 -0.259 -1.980 -4.566 7 HE1 MET 1 3HE MET 1 -2.347 -2.245 -4.067 8 HE2 MET 1 1HE MET 1 -2.724 -2.371 -2.348 9 HE3 MET 1 2HE MET 1 -3.406 -1.056 -3.306 10 H GLY 2 H GLY 2 0.965 2.413 -4.368 11 HA2 GLY 2 2HA GLY 2 1.390 4.292 -3.118 12 HA3 GLY 2 3HA GLY 2 2.409 3.282 -2.104 13 H SER 3 H SER 3 4.089 4.686 -1.832 14 HA SER 3 HA SER 3 5.236 6.237 -3.895 15 HB2 SER 3 2HB SER 3 6.118 5.432 -1.140 16 HB3 SER 3 3HB SER 3 7.235 6.274 -2.214 17 HG SER 3 HG SER 3 5.865 7.600 -0.771 18 H TRP 4 H TRP 4 5.781 2.978 -2.783 19 HA TRP 4 HA TRP 4 8.305 2.502 -3.885 20 HB2 TRP 4 2HB TRP 4 7.400 0.891 -2.378 21 HB3 TRP 4 3HB TRP 4 5.965 0.666 -3.375 22 HD1 TRP 4 HD1 TRP 4 6.306 -0.732 -5.694 23 HE1 TRP 4 HE1 TRP 4 8.010 -2.565 -6.296 24 HE3 TRP 4 HE3 TRP 4 9.742 0.110 -2.003 25 HZ2 TRP 4 HZ2 TRP 4 10.483 -3.527 -5.333 26 HZ3 TRP 4 HZ3 TRP 4 11.749 -1.311 -1.913 27 HH2 TRP 4 HH2 TRP 4 12.109 -3.092 -3.544 28 H ALA 5 H ALA 5 5.075 2.158 -5.308 29 HA ALA 5 HA ALA 5 5.715 0.996 -7.724 30 HB1 ALA 5 1HB ALA 5 3.746 3.072 -8.102 31 HB2 ALA 5 2HB ALA 5 3.555 1.319 -8.139 32 HB3 ALA 5 3HB ALA 5 3.461 2.184 -6.605 33 H GLU 6 H GLU 6 5.635 4.477 -6.968 34 HA GLU 6 HA GLU 6 6.386 5.435 -9.469 35 HB2 GLU 6 2HB GLU 6 5.744 6.604 -7.125 36 HB3 GLU 6 3HB GLU 6 7.484 6.854 -7.112 37 HG2 GLU 6 2HG GLU 6 7.438 8.277 -8.891 38 HG3 GLU 6 3HG GLU 6 5.992 7.544 -9.583 39 H PHE 7 H PHE 7 8.448 4.633 -6.682 40 HA PHE 7 HA PHE 7 10.904 5.267 -7.845 41 HB2 PHE 7 2HB PHE 7 9.989 3.657 -5.548 42 HB3 PHE 7 3HB PHE 7 11.567 3.211 -6.189 43 HD1 PHE 7 HD2 PHE 7 9.615 5.845 -4.560 44 HD2 PHE 7 HD1 PHE 7 13.449 4.694 -6.005 45 HE1 PHE 7 HE2 PHE 7 10.637 7.713 -3.328 46 HE2 PHE 7 HE1 PHE 7 14.477 6.560 -4.773 47 HZ PHE 7 HZ PHE 7 13.071 8.073 -3.434 48 H LYS 8 H LYS 8 9.072 2.239 -7.872 49 HA LYS 8 HA LYS 8 10.993 0.659 -9.176 50 HB2 LYS 8 2HB LYS 8 8.803 -0.042 -8.002 51 HB3 LYS 8 3HB LYS 8 8.029 0.298 -9.544 52 HG2 LYS 8 2HG LYS 8 8.448 -1.998 -9.575 53 HG3 LYS 8 3HG LYS 8 9.728 -1.296 -10.567 54 HD2 LYS 8 2HD LYS 8 11.347 -1.920 -9.133 55 HD3 LYS 8 3HD LYS 8 10.376 -1.525 -7.713 56 HE2 LYS 8 2HE LYS 8 10.576 -3.823 -7.550 57 HE3 LYS 8 3HE LYS 8 9.022 -3.638 -8.362 58 HZ1 LYS 8 3HZ LYS 8 11.572 -4.093 -9.806 59 HZ2 LYS 8 1HZ LYS 8 10.005 -4.160 -10.439 60 HZ3 LYS 8 2HZ LYS 8 10.526 -5.341 -9.348 61 H GLN 9 H GLN 9 8.386 2.693 -10.435 62 HA GLN 9 HA GLN 9 8.633 1.987 -13.139 63 HB2 GLN 9 2HB GLN 9 7.089 3.778 -11.626 64 HB3 GLN 9 3HB GLN 9 7.917 4.766 -12.823 65 HG2 GLN 9 2HG GLN 9 6.175 2.375 -13.372 66 HG3 GLN 9 3HG GLN 9 5.764 4.066 -13.655 67 HE21 GLN 9 1HE2 GLN 9 7.851 5.119 -14.876 68 HE22 GLN 9 2HE2 GLN 9 8.204 4.307 -16.360 69 H ARG 10 H ARG 10 9.938 4.845 -11.448 70 HA ARG 10 HA ARG 10 11.406 5.903 -13.542 71 HB2 ARG 10 2HB ARG 10 11.834 5.969 -10.563 72 HB3 ARG 10 3HB ARG 10 12.911 6.813 -11.668 73 HG2 ARG 10 2HG ARG 10 11.512 8.521 -11.777 74 HG3 ARG 10 3HG ARG 10 10.212 7.461 -12.325 75 HD2 ARG 10 2HD ARG 10 9.198 7.974 -10.402 76 HD3 ARG 10 3HD ARG 10 10.369 6.895 -9.644 77 HE ARG 10 HE ARG 10 11.286 8.719 -8.640 78 HH11 ARG 10 1HH1 ARG 10 9.585 9.774 -11.489 79 HH12 ARG 10 2HH1 ARG 10 9.871 11.457 -11.196 80 HH21 ARG 10 1HH2 ARG 10 11.670 10.932 -8.243 81 HH22 ARG 10 2HH2 ARG 10 11.058 12.115 -9.350 82 H LEU 11 H LEU 11 12.408 3.503 -11.127 83 HA LEU 11 HA LEU 11 15.070 3.236 -11.958 84 HB2 LEU 11 2HB LEU 11 13.428 2.098 -10.029 85 HB3 LEU 11 3HB LEU 11 13.914 0.741 -11.043 86 HG LEU 11 HG LEU 11 16.257 1.233 -10.616 87 HD11 LEU 11 1HD1 LEU 11 16.234 3.017 -8.488 88 HD12 LEU 11 2HD1 LEU 11 15.169 3.745 -9.691 89 HD13 LEU 11 3HD1 LEU 11 16.827 3.322 -10.121 90 HD21 LEU 11 3HD2 LEU 11 14.338 0.708 -8.434 91 HD22 LEU 11 1HD2 LEU 11 15.986 1.107 -7.949 92 HD23 LEU 11 2HD2 LEU 11 15.689 -0.263 -9.020 93 H ALA 12 H ALA 12 12.131 1.567 -13.000 94 HA ALA 12 HA ALA 12 13.335 -0.338 -14.668 95 HB1 ALA 12 1HB ALA 12 10.955 0.093 -15.892 96 HB2 ALA 12 2HB ALA 12 11.174 -0.917 -14.463 97 HB3 ALA 12 3HB ALA 12 10.635 0.753 -14.288 98 H ALA 13 H ALA 13 12.125 2.925 -15.379 99 HA ALA 13 HA ALA 13 12.659 2.884 -18.142 100 HB1 ALA 13 1HB ALA 13 12.931 5.535 -17.317 101 HB2 ALA 13 2HB ALA 13 11.472 4.748 -17.919 102 HB3 ALA 13 3HB ALA 13 11.788 4.810 -16.186 103 H ILE 14 H ILE 14 14.611 3.925 -15.378 104 HA ILE 14 HA ILE 14 16.770 4.970 -16.858 105 HB ILE 14 HB ILE 14 16.721 3.809 -14.071 106 HG12 ILE 14 2HG1 ILE 14 17.008 6.717 -14.637 107 HG13 ILE 14 3HG1 ILE 14 15.420 6.000 -14.889 108 HG21 ILE 14 1HG2 ILE 14 18.930 4.647 -15.723 109 HG22 ILE 14 2HG2 ILE 14 18.805 5.648 -14.277 110 HG23 ILE 14 3HG2 ILE 14 18.942 3.896 -14.128 111 HD11 ILE 14 3HD1 ILE 14 16.129 5.024 -12.434 112 HD12 ILE 14 1HD1 ILE 14 16.812 6.649 -12.420 113 HD13 ILE 14 2HD1 ILE 14 15.091 6.418 -12.730 114 H LYS 15 H LYS 15 16.075 1.735 -15.632 115 HA LYS 15 HA LYS 15 18.586 0.597 -16.287 116 HB2 LYS 15 2HB LYS 15 16.199 -0.256 -15.054 117 HB3 LYS 15 3HB LYS 15 16.454 -1.336 -16.419 118 HG2 LYS 15 2HG LYS 15 18.941 -1.271 -15.354 119 HG3 LYS 15 3HG LYS 15 17.949 -1.074 -13.908 120 HD2 LYS 15 2HD LYS 15 17.265 -3.195 -15.899 121 HD3 LYS 15 3HD LYS 15 18.577 -3.464 -14.750 122 HE2 LYS 15 2HE LYS 15 17.172 -3.647 -12.993 123 HE3 LYS 15 3HE LYS 15 16.080 -2.404 -13.603 124 HZ1 LYS 15 3HZ LYS 15 16.233 -5.125 -14.767 125 HZ2 LYS 15 1HZ LYS 15 15.045 -3.950 -15.032 126 HZ3 LYS 15 2HZ LYS 15 15.157 -4.715 -13.528 127 H THR 16 H THR 16 15.499 0.787 -18.009 128 HA THR 16 HA THR 16 16.199 -0.813 -20.207 129 HB THR 16 HB THR 16 14.343 1.550 -20.414 130 HG1 THR 16 HG1 THR 16 13.042 0.624 -19.032 131 HG21 THR 16 3HG2 THR 16 13.507 -0.990 -21.544 132 HG22 THR 16 1HG2 THR 16 15.059 -0.459 -22.190 133 HG23 THR 16 2HG2 THR 16 13.647 0.591 -22.311 134 H ARG 17 H ARG 17 16.218 2.742 -19.900 135 HA ARG 17 HA ARG 17 17.383 3.231 -22.416 136 HB2 ARG 17 2HB ARG 17 16.781 4.782 -19.992 137 HB3 ARG 17 3HB ARG 17 18.153 5.385 -20.913 138 HG2 ARG 17 2HG ARG 17 16.638 6.493 -22.111 139 HG3 ARG 17 3HG ARG 17 16.289 4.936 -22.865 140 HD2 ARG 17 2HD ARG 17 14.837 4.940 -20.482 141 HD3 ARG 17 3HD ARG 17 14.638 6.561 -21.145 142 HE ARG 17 HE ARG 17 14.232 4.704 -23.200 143 HH11 ARG 17 1HH1 ARG 17 12.738 5.761 -20.239 144 HH12 ARG 17 2HH1 ARG 17 11.133 5.360 -20.753 145 HH21 ARG 17 1HH2 ARG 17 12.124 4.172 -23.888 146 HH22 ARG 17 2HH2 ARG 17 10.785 4.455 -22.829 147 H CYS 18 H CYS 18 18.755 2.535 -19.270 148 HA CYS 18 HA CYS 18 21.425 3.276 -19.897 149 HB2 CYS 18 2HB CYS 18 20.855 3.143 -17.594 150 HB3 CYS 18 3HB CYS 18 20.227 1.509 -17.768 151 HG CYS 18 HG CYS 18 23.534 2.337 -18.075 152 H GLN 19 H GLN 19 19.583 0.294 -20.184 153 HA GLN 19 HA GLN 19 21.818 -1.346 -20.855 154 HB2 GLN 19 2HB GLN 19 18.853 -1.746 -21.275 155 HB3 GLN 19 3HB GLN 19 20.071 -2.975 -21.590 156 HG2 GLN 19 2HG GLN 19 20.187 -1.789 -18.912 157 HG3 GLN 19 3HG GLN 19 18.717 -2.698 -19.263 158 HE21 GLN 19 1HE2 GLN 19 18.797 -4.765 -18.794 159 HE22 GLN 19 2HE2 GLN 19 20.219 -5.745 -18.726 160 H ALA 20 H ALA 20 19.319 0.320 -22.734 161 HA ALA 20 HA ALA 20 20.314 -0.610 -25.257 162 HB1 ALA 20 1HB ALA 20 18.488 0.364 -26.167 163 HB2 ALA 20 2HB ALA 20 17.932 0.346 -24.493 164 HB3 ALA 20 3HB ALA 20 18.630 1.816 -25.174 165 H LEU 21 H LEU 21 20.935 2.104 -23.181 166 HA LEU 21 HA LEU 21 22.301 3.920 -23.349 167 HB2 LEU 21 2HB LEU 21 23.746 1.900 -25.042 168 HB3 LEU 21 3HB LEU 21 24.420 3.488 -24.681 169 HG LEU 21 HG LEU 21 23.759 1.330 -22.678 170 HD11 LEU 21 1HD1 LEU 21 25.891 1.383 -24.315 171 HD12 LEU 21 2HD1 LEU 21 25.932 0.738 -22.675 172 HD13 LEU 21 3HD1 LEU 21 26.494 2.380 -22.991 173 HD21 LEU 21 3HD2 LEU 21 24.455 4.198 -22.406 174 HD22 LEU 21 1HD2 LEU 21 25.222 3.067 -21.291 175 HD23 LEU 21 2HD2 LEU 21 23.463 3.167 -21.374 176 H GLY 22 H GLY 22 20.091 3.684 -25.285 177 HA2 GLY 22 2HA GLY 22 21.179 4.993 -27.666 178 HA3 GLY 22 3HA GLY 22 19.535 4.407 -27.466 179 H GLY 23 H GLY 23 20.672 6.157 -24.789 180 HA2 GLY 23 2HA GLY 23 18.800 8.288 -25.335 181 HA3 GLY 23 3HA GLY 23 19.762 8.089 -23.877 182 H SER 24 H SER 24 22.180 8.468 -24.228 183 HA SER 24 HA SER 24 23.152 10.034 -26.327 184 HB2 SER 24 2HB SER 24 21.497 11.492 -24.477 185 HB3 SER 24 3HB SER 24 23.157 12.082 -24.382 186 HG SER 24 HG SER 24 23.070 12.722 -26.436 187 H GLU 25 H GLU 25 25.330 10.385 -26.128 188 HA GLU 25 HA GLU 25 26.825 8.860 -24.396 189 HB2 GLU 25 2HB GLU 25 28.725 10.457 -24.974 190 HB3 GLU 25 3HB GLU 25 27.909 9.679 -26.322 191 HG2 GLU 25 2HG GLU 25 26.693 11.663 -26.831 192 HG3 GLU 25 3HG GLU 25 27.253 12.448 -25.355 193 H ALA 26 H ALA 26 25.673 12.153 -23.975 194 HA ALA 26 HA ALA 26 27.118 12.493 -21.485 195 HB1 ALA 26 1HB ALA 26 25.106 14.274 -22.856 196 HB2 ALA 26 2HB ALA 26 26.036 14.699 -21.418 197 HB3 ALA 26 3HB ALA 26 26.862 14.410 -22.949 198 H GLU 27 H GLU 27 23.829 11.858 -22.566 199 HA GLU 27 HA GLU 27 22.402 12.279 -20.245 200 HB2 GLU 27 2HB GLU 27 22.080 10.551 -22.620 201 HB3 GLU 27 3HB GLU 27 21.159 10.069 -21.202 202 HG2 GLU 27 2HG GLU 27 21.084 12.825 -22.403 203 HG3 GLU 27 3HG GLU 27 19.934 11.545 -22.782 204 H CYS 28 H CYS 28 24.501 9.602 -21.086 205 HA CYS 28 HA CYS 28 23.786 7.711 -19.212 206 HB2 CYS 28 2HB CYS 28 26.624 8.391 -20.006 207 HB3 CYS 28 3HB CYS 28 26.045 6.849 -19.387 208 HG CYS 28 HG CYS 28 26.435 7.645 -22.444 209 H ALA 29 H ALA 29 25.951 10.489 -18.799 210 HA ALA 29 HA ALA 29 26.825 9.993 -16.212 211 HB1 ALA 29 1HB ALA 29 27.441 11.871 -17.922 212 HB2 ALA 29 2HB ALA 29 26.216 12.790 -17.047 213 HB3 ALA 29 3HB ALA 29 27.617 12.151 -16.189 214 H ALA 30 H ALA 30 24.044 11.989 -17.216 215 HA ALA 30 HA ALA 30 23.099 12.622 -14.678 216 HB1 ALA 30 1HB ALA 30 22.281 13.728 -16.672 217 HB2 ALA 30 2HB ALA 30 21.527 12.231 -17.222 218 HB3 ALA 30 3HB ALA 30 20.933 13.035 -15.769 219 H PHE 31 H PHE 31 22.629 9.733 -16.618 220 HA PHE 31 HA PHE 31 20.532 8.595 -15.118 221 HB2 PHE 31 2HB PHE 31 22.378 7.732 -17.217 222 HB3 PHE 31 3HB PHE 31 21.941 6.438 -16.107 223 HD1 PHE 31 HD2 PHE 31 19.796 9.277 -17.107 224 HD2 PHE 31 HD1 PHE 31 20.598 5.116 -17.508 225 HE1 PHE 31 HE2 PHE 31 17.662 8.984 -18.295 226 HE2 PHE 31 HE1 PHE 31 18.466 4.816 -18.698 227 HZ PHE 31 HZ PHE 31 16.994 6.751 -19.092 228 H GLU 32 H GLU 32 24.050 8.077 -14.972 229 HA GLU 32 HA GLU 32 24.067 6.221 -12.890 230 HB2 GLU 32 2HB GLU 32 26.013 6.833 -14.347 231 HB3 GLU 32 3HB GLU 32 26.177 8.317 -13.419 232 HG2 GLU 32 2HG GLU 32 26.091 5.928 -11.757 233 HG3 GLU 32 3HG GLU 32 27.436 5.943 -12.895 234 H LYS 33 H LYS 33 24.330 9.762 -12.765 235 HA LYS 33 HA LYS 33 24.635 10.022 -10.001 236 HB2 LYS 33 2HB LYS 33 23.439 11.862 -12.069 237 HB3 LYS 33 3HB LYS 33 23.619 12.329 -10.383 238 HG2 LYS 33 2HG LYS 33 25.814 12.696 -10.593 239 HG3 LYS 33 3HG LYS 33 26.059 11.258 -11.586 240 HD2 LYS 33 2HD LYS 33 26.559 13.005 -13.041 241 HD3 LYS 33 3HD LYS 33 24.886 12.611 -13.443 242 HE2 LYS 33 2HE LYS 33 24.360 14.438 -11.632 243 HE3 LYS 33 3HE LYS 33 25.994 14.980 -12.011 244 HZ1 LYS 33 3HZ LYS 33 25.192 15.987 -13.794 245 HZ2 LYS 33 1HZ LYS 33 23.632 15.428 -13.454 246 HZ3 LYS 33 2HZ LYS 33 24.669 14.505 -14.420 247 H GLU 34 H GLU 34 21.669 10.133 -11.966 248 HA GLU 34 HA GLU 34 19.831 10.581 -9.946 249 HB2 GLU 34 2HB GLU 34 19.740 9.912 -12.671 250 HB3 GLU 34 3HB GLU 34 18.785 8.682 -11.855 251 HG2 GLU 34 2HG GLU 34 17.558 10.561 -10.711 252 HG3 GLU 34 3HG GLU 34 18.379 11.657 -11.821 253 H ILE 35 H ILE 35 21.056 7.471 -11.153 254 HA ILE 35 HA ILE 35 19.542 5.807 -9.493 255 HB ILE 35 HB ILE 35 22.287 5.364 -10.666 256 HG12 ILE 35 2HG1 ILE 35 20.436 5.711 -12.283 257 HG13 ILE 35 3HG1 ILE 35 21.115 4.089 -12.368 258 HG21 ILE 35 1HG2 ILE 35 21.352 2.882 -10.320 259 HG22 ILE 35 2HG2 ILE 35 22.345 3.709 -9.122 260 HG23 ILE 35 3HG2 ILE 35 20.591 3.669 -8.938 261 HD11 ILE 35 3HD1 ILE 35 18.430 4.835 -12.032 262 HD12 ILE 35 1HD1 ILE 35 19.118 3.211 -12.029 263 HD13 ILE 35 2HD1 ILE 35 18.949 4.100 -10.515 264 H ALA 36 H ALA 36 22.750 7.237 -8.997 265 HA ALA 36 HA ALA 36 23.403 6.020 -6.586 266 HB1 ALA 36 1HB ALA 36 24.505 8.494 -6.302 267 HB2 ALA 36 2HB ALA 36 25.215 7.172 -7.229 268 HB3 ALA 36 3HB ALA 36 24.261 8.409 -8.047 269 H ALA 37 H ALA 37 21.652 9.065 -7.144 270 HA ALA 37 HA ALA 37 21.235 9.636 -4.398 271 HB1 ALA 37 1HB ALA 37 21.039 11.502 -5.742 272 HB2 ALA 37 2HB ALA 37 20.074 10.659 -6.954 273 HB3 ALA 37 3HB ALA 37 19.351 11.114 -5.411 274 H PHE 38 H PHE 38 19.494 7.742 -6.763 275 HA PHE 38 HA PHE 38 17.025 7.551 -5.432 276 HB2 PHE 38 2HB PHE 38 18.278 6.372 -7.728 277 HB3 PHE 38 3HB PHE 38 17.495 5.109 -6.785 278 HD1 PHE 38 HD2 PHE 38 16.686 8.623 -7.761 279 HD2 PHE 38 HD1 PHE 38 15.401 4.572 -7.522 280 HE1 PHE 38 HE2 PHE 38 14.512 9.259 -8.722 281 HE2 PHE 38 HE1 PHE 38 13.226 5.202 -8.484 282 HZ PHE 38 HZ PHE 38 12.779 7.548 -9.084 283 H GLU 39 H GLU 39 19.782 5.291 -5.456 284 HA GLU 39 HA GLU 39 18.688 3.555 -3.508 285 HB2 GLU 39 2HB GLU 39 20.990 2.638 -3.358 286 HB3 GLU 39 3HB GLU 39 20.401 2.760 -5.010 287 HG2 GLU 39 2HG GLU 39 21.678 4.837 -5.295 288 HG3 GLU 39 3HG GLU 39 22.301 4.661 -3.656 289 H SER 40 H SER 40 20.827 6.346 -3.325 290 HA SER 40 HA SER 40 21.482 6.052 -0.577 291 HB2 SER 40 2HB SER 40 22.997 7.427 -1.649 292 HB3 SER 40 3HB SER 40 21.753 8.224 -2.611 293 HG SER 40 HG SER 40 22.670 9.527 -0.895 294 H GLU 41 H GLU 41 18.809 7.471 -2.288 295 HA GLU 41 HA GLU 41 17.829 8.929 0.006 296 HB2 GLU 41 2HB GLU 41 16.873 8.490 -2.798 297 HB3 GLU 41 3HB GLU 41 15.756 9.105 -1.587 298 HG2 GLU 41 2HG GLU 41 18.394 10.437 -1.871 299 HG3 GLU 41 3HG GLU 41 17.173 10.714 -3.112 300 H LEU 42 H LEU 42 17.193 5.881 -1.608 301 HA LEU 42 HA LEU 42 14.835 5.295 -0.075 302 HB2 LEU 42 2HB LEU 42 16.575 3.582 -1.839 303 HB3 LEU 42 3HB LEU 42 15.090 3.021 -1.073 304 HG LEU 42 HG LEU 42 14.959 5.425 -2.826 305 HD11 LEU 42 1HD1 LEU 42 15.528 4.394 -4.703 306 HD12 LEU 42 2HD1 LEU 42 14.454 3.043 -4.342 307 HD13 LEU 42 3HD1 LEU 42 16.110 3.039 -3.737 308 HD21 LEU 42 3HD2 LEU 42 12.839 5.078 -2.203 309 HD22 LEU 42 1HD2 LEU 42 13.167 3.429 -1.669 310 HD23 LEU 42 2HD2 LEU 42 12.858 3.759 -3.374 311 H GLN 43 H GLN 43 18.254 4.715 0.226 312 HA GLN 43 HA GLN 43 18.037 2.672 2.217 313 HB2 GLN 43 2HB GLN 43 20.378 2.726 2.331 314 HB3 GLN 43 3HB GLN 43 20.022 3.137 0.659 315 HG2 GLN 43 2HG GLN 43 21.442 4.823 0.990 316 HG3 GLN 43 3HG GLN 43 20.083 5.595 1.806 317 HE21 GLN 43 1HE2 GLN 43 23.136 4.016 2.184 318 HE22 GLN 43 2HE2 GLN 43 23.346 4.365 3.863 319 H ALA 44 H ALA 44 17.913 6.108 2.223 320 HA ALA 44 HA ALA 44 18.676 6.481 4.959 321 HB1 ALA 44 1HB ALA 44 18.355 8.726 4.608 322 HB2 ALA 44 2HB ALA 44 18.657 8.175 2.960 323 HB3 ALA 44 3HB ALA 44 17.005 8.473 3.502 324 H TYR 45 H TYR 45 15.787 5.576 3.331 325 HA TYR 45 HA TYR 45 13.779 6.505 4.973 326 HB2 TYR 45 2HB TYR 45 14.111 4.074 3.281 327 HB3 TYR 45 3HB TYR 45 12.745 4.124 4.390 328 HD1 TYR 45 HD2 TYR 45 11.783 6.811 4.313 329 HD2 TYR 45 HD1 TYR 45 13.385 4.486 1.131 330 HE1 TYR 45 HE2 TYR 45 10.515 8.162 2.696 331 HE2 TYR 45 HE1 TYR 45 12.122 5.830 -0.496 332 HH TYR 45 HH TYR 45 10.834 7.628 -0.794 333 H LYS 46 H LYS 46 15.352 3.315 5.269 334 HA LYS 46 HA LYS 46 15.681 3.475 8.065 335 HB2 LYS 46 2HB LYS 46 13.229 3.292 8.068 336 HB3 LYS 46 3HB LYS 46 13.337 1.803 7.138 337 HG2 LYS 46 2HG LYS 46 13.407 0.679 9.040 338 HG3 LYS 46 3HG LYS 46 14.969 1.425 9.385 339 HD2 LYS 46 2HD LYS 46 13.740 1.999 11.257 340 HD3 LYS 46 3HD LYS 46 13.528 3.420 10.232 341 HE2 LYS 46 2HE LYS 46 11.334 2.953 9.805 342 HE3 LYS 46 3HE LYS 46 11.561 1.212 9.963 343 HZ1 LYS 46 3HZ LYS 46 10.256 2.069 11.788 344 HZ2 LYS 46 1HZ LYS 46 11.477 3.168 12.196 345 HZ3 LYS 46 2HZ LYS 46 11.743 1.506 12.366 346 H GLY 47 H GLY 47 14.745 0.969 5.694 347 HA2 GLY 47 2HA GLY 47 16.120 -0.685 4.775 348 HA3 GLY 47 3HA GLY 47 17.405 -0.192 5.869 349 H LYS 48 H LYS 48 16.695 -0.571 8.295 350 HA LYS 48 HA LYS 48 16.704 -3.292 8.758 351 HB2 LYS 48 2HB LYS 48 17.351 -1.665 10.455 352 HB3 LYS 48 3HB LYS 48 15.693 -1.091 10.569 353 HG2 LYS 48 2HG LYS 48 15.038 -3.381 11.325 354 HG3 LYS 48 3HG LYS 48 16.756 -3.782 11.391 355 HD2 LYS 48 2HD LYS 48 16.018 -1.298 12.773 356 HD3 LYS 48 3HD LYS 48 15.318 -2.762 13.465 357 HE2 LYS 48 2HE LYS 48 18.175 -2.916 12.758 358 HE3 LYS 48 3HE LYS 48 17.773 -1.820 14.079 359 HZ1 LYS 48 3HZ LYS 48 16.643 -3.645 15.195 360 HZ2 LYS 48 1HZ LYS 48 18.262 -4.035 14.896 361 HZ3 LYS 48 2HZ LYS 48 17.041 -4.695 13.929 362 H GLY 49 H GLY 49 13.916 -1.204 9.546 363 HA2 GLY 49 2HA GLY 49 12.131 -3.452 9.578 364 HA3 GLY 49 3HA GLY 49 11.685 -1.762 9.768 365 H ASN 50 H ASN 50 13.214 -1.268 7.154 366 HA ASN 50 HA ASN 50 11.040 -2.156 5.373 367 HB2 ASN 50 2HB ASN 50 12.446 0.442 5.675 368 HB3 ASN 50 3HB ASN 50 12.048 -0.054 4.033 369 HD21 ASN 50 1HD2 ASN 50 10.368 1.153 3.483 370 HD22 ASN 50 2HD2 ASN 50 8.905 1.310 4.388 371 HA PRO 51 HA PRO 51 14.980 -4.109 3.877 372 HB2 PRO 51 2HB PRO 51 13.874 -6.548 3.431 373 HB3 PRO 51 3HB PRO 51 14.526 -6.061 5.001 374 HG2 PRO 51 2HG PRO 51 11.685 -6.097 4.058 375 HG3 PRO 51 3HG PRO 51 12.353 -6.612 5.618 376 HD2 PRO 51 2HD PRO 51 11.129 -4.221 5.276 377 HD3 PRO 51 3HD PRO 51 12.460 -4.457 6.427 378 H GLU 52 H GLU 52 11.789 -3.632 2.681 379 HA GLU 52 HA GLU 52 11.891 -4.764 0.153 380 HB2 GLU 52 2HB GLU 52 10.264 -2.996 -0.506 381 HB3 GLU 52 3HB GLU 52 9.841 -3.822 0.987 382 HG2 GLU 52 2HG GLU 52 11.050 -1.852 2.141 383 HG3 GLU 52 3HG GLU 52 10.842 -1.037 0.592 384 H VAL 53 H VAL 53 13.413 -1.872 1.370 385 HA VAL 53 HA VAL 53 14.025 -0.617 -1.067 386 HB VAL 53 HB VAL 53 15.598 -0.553 1.512 387 HG11 VAL 53 1HG1 VAL 53 15.704 1.123 -0.977 388 HG12 VAL 53 2HG1 VAL 53 16.279 1.724 0.579 389 HG13 VAL 53 3HG1 VAL 53 17.023 0.298 -0.146 390 HG21 VAL 53 3HG2 VAL 53 14.338 1.394 2.089 391 HG22 VAL 53 1HG2 VAL 53 13.535 1.405 0.518 392 HG23 VAL 53 2HG2 VAL 53 13.193 0.118 1.675 393 H GLU 54 H GLU 54 15.306 -3.436 0.417 394 HA GLU 54 HA GLU 54 17.911 -3.537 -0.479 395 HB2 GLU 54 2HB GLU 54 17.808 -5.891 -0.229 396 HB3 GLU 54 3HB GLU 54 16.702 -5.228 0.965 397 HG2 GLU 54 2HG GLU 54 15.418 -6.905 0.129 398 HG3 GLU 54 3HG GLU 54 14.937 -5.593 -0.946 399 H ALA 55 H ALA 55 14.940 -4.118 -2.261 400 HA ALA 55 HA ALA 55 16.116 -5.204 -4.591 401 HB1 ALA 55 1HB ALA 55 13.643 -3.627 -4.907 402 HB2 ALA 55 2HB ALA 55 14.015 -5.274 -5.417 403 HB3 ALA 55 3HB ALA 55 13.581 -4.947 -3.739 404 H LEU 56 H LEU 56 15.026 -1.896 -3.837 405 HA LEU 56 HA LEU 56 15.810 -0.727 -6.258 406 HB2 LEU 56 2HB LEU 56 15.785 0.629 -3.571 407 HB3 LEU 56 3HB LEU 56 15.597 1.383 -5.153 408 HG LEU 56 HG LEU 56 13.577 -0.649 -4.428 409 HD11 LEU 56 1HD1 LEU 56 14.229 1.451 -2.610 410 HD12 LEU 56 2HD1 LEU 56 12.947 0.246 -2.503 411 HD13 LEU 56 3HD1 LEU 56 12.651 1.775 -3.329 412 HD21 LEU 56 3HD2 LEU 56 13.044 2.115 -5.410 413 HD22 LEU 56 1HD2 LEU 56 12.205 0.607 -5.774 414 HD23 LEU 56 2HD2 LEU 56 13.778 0.939 -6.500 415 H ARG 57 H ARG 57 17.584 -1.317 -3.274 416 HA ARG 57 HA ARG 57 19.881 0.196 -3.935 417 HB2 ARG 57 2HB ARG 57 19.012 -1.174 -1.716 418 HB3 ARG 57 3HB ARG 57 20.352 -2.170 -2.269 419 HG2 ARG 57 2HG ARG 57 21.908 -0.594 -1.784 420 HG3 ARG 57 3HG ARG 57 20.814 0.749 -2.118 421 HD2 ARG 57 2HD ARG 57 20.118 0.862 0.011 422 HD3 ARG 57 3HD ARG 57 20.015 -0.891 0.167 423 HE ARG 57 HE ARG 57 22.040 -0.845 1.202 424 HH11 ARG 57 1HH1 ARG 57 21.734 2.029 -0.739 425 HH12 ARG 57 2HH1 ARG 57 23.235 2.708 -0.203 426 HH21 ARG 57 1HH2 ARG 57 24.019 0.039 1.915 427 HH22 ARG 57 2HH2 ARG 57 24.534 1.575 1.306 428 H LYS 58 H LYS 58 19.063 -3.227 -4.358 429 HA LYS 58 HA LYS 58 21.538 -4.051 -5.407 430 HB2 LYS 58 2HB LYS 58 18.750 -5.129 -5.494 431 HB3 LYS 58 3HB LYS 58 19.973 -5.846 -6.534 432 HG2 LYS 58 2HG LYS 58 20.302 -5.544 -3.560 433 HG3 LYS 58 3HG LYS 58 19.628 -6.983 -4.329 434 HD2 LYS 58 2HD LYS 58 22.217 -5.998 -5.375 435 HD3 LYS 58 3HD LYS 58 22.231 -6.714 -3.762 436 HE2 LYS 58 2HE LYS 58 21.133 -8.721 -4.669 437 HE3 LYS 58 3HE LYS 58 21.177 -8.003 -6.278 438 HZ1 LYS 58 3HZ LYS 58 23.403 -8.336 -6.470 439 HZ2 LYS 58 1HZ LYS 58 23.041 -9.636 -5.449 440 HZ3 LYS 58 2HZ LYS 58 23.697 -8.215 -4.808 441 H GLU 59 H GLU 59 18.498 -3.378 -7.156 442 HA GLU 59 HA GLU 59 19.510 -3.547 -9.731 443 HB2 GLU 59 2HB GLU 59 17.232 -1.965 -8.564 444 HB3 GLU 59 3HB GLU 59 17.610 -1.896 -10.280 445 HG2 GLU 59 2HG GLU 59 17.125 -4.179 -10.585 446 HG3 GLU 59 3HG GLU 59 17.109 -4.485 -8.849 447 H ALA 60 H ALA 60 19.182 -0.653 -7.686 448 HA ALA 60 HA ALA 60 20.163 1.250 -9.428 449 HB1 ALA 60 1HB ALA 60 19.222 1.961 -7.374 450 HB2 ALA 60 2HB ALA 60 20.405 1.048 -6.436 451 HB3 ALA 60 3HB ALA 60 20.912 2.467 -7.352 452 H ALA 61 H ALA 61 22.037 -0.642 -7.056 453 HA ALA 61 HA ALA 61 24.558 0.346 -7.654 454 HB1 ALA 61 1HB ALA 61 25.450 -1.631 -6.619 455 HB2 ALA 61 2HB ALA 61 24.006 -1.128 -5.737 456 HB3 ALA 61 3HB ALA 61 23.928 -2.491 -6.855 457 H ALA 62 H ALA 62 22.822 -2.375 -9.129 458 HA ALA 62 HA ALA 62 24.851 -3.258 -10.836 459 HB1 ALA 62 1HB ALA 62 22.028 -3.375 -11.762 460 HB2 ALA 62 2HB ALA 62 23.279 -4.618 -11.783 461 HB3 ALA 62 3HB ALA 62 22.460 -4.217 -10.274 462 H ILE 63 H ILE 63 22.295 -0.853 -11.371 463 HA ILE 63 HA ILE 63 22.879 -0.298 -14.057 464 HB ILE 63 HB ILE 63 21.721 1.562 -11.978 465 HG12 ILE 63 2HG1 ILE 63 19.978 0.315 -14.000 466 HG13 ILE 63 3HG1 ILE 63 20.670 -0.808 -12.834 467 HG21 ILE 63 1HG2 ILE 63 20.783 2.783 -13.877 468 HG22 ILE 63 2HG2 ILE 63 22.545 2.766 -13.929 469 HG23 ILE 63 3HG2 ILE 63 21.621 1.700 -14.988 470 HD11 ILE 63 3HD1 ILE 63 19.737 1.410 -11.376 471 HD12 ILE 63 1HD1 ILE 63 18.475 0.974 -12.527 472 HD13 ILE 63 2HD1 ILE 63 19.096 -0.233 -11.400 473 H ARG 64 H ARG 64 24.075 1.180 -11.065 474 HA ARG 64 HA ARG 64 25.580 3.234 -12.226 475 HB2 ARG 64 2HB ARG 64 25.045 3.079 -9.813 476 HB3 ARG 64 3HB ARG 64 26.164 1.730 -9.670 477 HG2 ARG 64 2HG ARG 64 27.713 3.673 -10.830 478 HG3 ARG 64 3HG ARG 64 26.681 4.592 -9.733 479 HD2 ARG 64 2HD ARG 64 27.420 2.411 -8.224 480 HD3 ARG 64 3HD ARG 64 28.876 2.767 -9.152 481 HE ARG 64 HE ARG 64 27.893 5.163 -8.092 482 HH11 ARG 64 1HH1 ARG 64 29.325 2.175 -7.023 483 HH12 ARG 64 2HH1 ARG 64 30.055 2.876 -5.617 484 HH21 ARG 64 1HH2 ARG 64 28.848 6.097 -6.244 485 HH22 ARG 64 2HH2 ARG 64 29.782 5.107 -5.174 486 H ASP 65 H ASP 65 26.510 -0.074 -11.332 487 HA ASP 65 HA ASP 65 29.215 0.108 -12.040 488 HB2 ASP 65 2HB ASP 65 27.446 -2.343 -12.178 489 HB3 ASP 65 3HB ASP 65 29.205 -2.327 -12.073 490 H GLU 66 H GLU 66 26.383 -0.860 -13.939 491 HA GLU 66 HA GLU 66 27.754 -1.590 -16.277 492 HB2 GLU 66 2HB GLU 66 24.972 -0.425 -16.071 493 HB3 GLU 66 3HB GLU 66 25.611 -1.372 -17.408 494 HG2 GLU 66 2HG GLU 66 25.823 -2.734 -14.846 495 HG3 GLU 66 3HG GLU 66 24.164 -2.338 -15.290 496 H CYS 67 H CYS 67 26.399 1.511 -15.235 497 HA CYS 67 HA CYS 67 26.897 2.942 -17.596 498 HB2 CYS 67 2HB CYS 67 26.703 3.859 -14.724 499 HB3 CYS 67 3HB CYS 67 26.822 4.964 -16.087 500 HG CYS 67 HG CYS 67 24.225 5.162 -15.851 501 H GLN 68 H GLN 68 28.887 2.434 -14.712 502 HA GLN 68 HA GLN 68 31.008 4.130 -15.473 503 HB2 GLN 68 2HB GLN 68 31.056 1.691 -13.687 504 HB3 GLN 68 3HB GLN 68 32.326 2.902 -13.790 505 HG2 GLN 68 2HG GLN 68 29.658 3.967 -13.209 506 HG3 GLN 68 3HG GLN 68 30.325 2.907 -11.968 507 HE21 GLN 68 1HE2 GLN 68 29.850 5.906 -12.266 508 HE22 GLN 68 2HE2 GLN 68 31.342 6.607 -11.749 509 H ALA 69 H ALA 69 30.373 0.706 -16.046 510 HA ALA 69 HA ALA 69 32.879 0.095 -17.210 511 HB1 ALA 69 1HB ALA 69 31.901 -1.867 -16.718 512 HB2 ALA 69 2HB ALA 69 30.271 -1.228 -16.935 513 HB3 ALA 69 3HB ALA 69 31.218 -1.722 -18.338 514 H TYR 70 H TYR 70 29.812 1.221 -18.547 515 HA TYR 70 HA TYR 70 30.417 0.905 -21.264 516 HB2 TYR 70 2HB TYR 70 28.641 2.951 -19.919 517 HB3 TYR 70 3HB TYR 70 28.657 2.614 -21.646 518 HD1 TYR 70 HD2 TYR 70 28.995 -0.431 -21.342 519 HD2 TYR 70 HD1 TYR 70 26.357 2.372 -19.529 520 HE1 TYR 70 HE2 TYR 70 27.335 -2.216 -21.011 521 HE2 TYR 70 HE1 TYR 70 24.690 0.594 -19.192 522 HH TYR 70 HH TYR 70 24.101 -1.561 -20.036 523 H ARG 71 H ARG 71 31.655 3.083 -18.951 524 HA ARG 71 HA ARG 71 32.383 5.161 -20.806 525 HB2 ARG 71 2HB ARG 71 32.029 5.154 -18.136 526 HB3 ARG 71 3HB ARG 71 33.775 4.953 -18.199 527 HG2 ARG 71 2HG ARG 71 33.728 7.204 -18.193 528 HG3 ARG 71 3HG ARG 71 33.515 6.973 -19.930 529 HD2 ARG 71 2HD ARG 71 31.750 8.346 -19.596 530 HD3 ARG 71 3HD ARG 71 30.956 6.836 -19.149 531 HE ARG 71 HE ARG 71 32.030 7.737 -16.816 532 HH11 ARG 71 1HH1 ARG 71 29.901 9.098 -19.210 533 HH12 ARG 71 2HH1 ARG 71 29.058 10.104 -18.079 534 HH21 ARG 71 1HH2 ARG 71 30.928 9.056 -15.316 535 HH22 ARG 71 2HH2 ARG 71 29.644 10.080 -15.864 536 H HIS 72 H HIS 72 33.288 2.448 -21.408 537 HA HIS 72 HA HIS 72 35.124 1.429 -22.287 538 HB2 HIS 72 2HB HIS 72 35.477 3.780 -23.204 539 HB3 HIS 72 3HB HIS 72 36.614 4.021 -21.881 540 HD1 HIS 72 HD1 HIS 72 36.372 0.800 -23.814 541 HD2 HIS 72 HD2 HIS 72 38.881 4.092 -23.458 542 HE1 HIS 72 HE1 HIS 72 38.450 0.204 -25.100 543 H ASN 73 H ASN 73 34.631 1.637 -19.345 544 HA ASN 73 HA ASN 73 37.048 1.818 -17.935 545 HB2 ASN 73 2HB ASN 73 34.412 1.401 -17.264 546 HB3 ASN 73 3HB ASN 73 35.152 -0.147 -16.868 547 HD21 ASN 73 1HD2 ASN 73 35.238 -0.089 -14.715 548 HD22 ASN 73 2HD2 ASN 73 36.039 1.128 -13.787 Start of MODEL 19 1 H1 MET 1 H MET 1 3.093 -2.635 -3.005 2 HA MET 1 HA MET 1 2.160 -0.921 -1.545 3 HB2 MET 1 2HB MET 1 4.350 -2.463 -0.143 4 HB3 MET 1 3HB MET 1 2.972 -1.695 0.635 5 HG2 MET 1 2HG MET 1 1.494 -3.193 -0.729 6 HG3 MET 1 3HG MET 1 2.950 -4.050 -1.229 7 HE1 MET 1 3HE MET 1 0.064 -4.631 1.273 8 HE2 MET 1 1HE MET 1 0.646 -5.418 -0.195 9 HE3 MET 1 2HE MET 1 0.847 -6.209 1.369 10 H GLY 2 H GLY 2 2.504 0.902 -0.220 11 HA2 GLY 2 2HA GLY 2 3.495 2.885 0.374 12 HA3 GLY 2 3HA GLY 2 5.013 2.000 0.399 13 H SER 3 H SER 3 6.376 3.358 -0.616 14 HA SER 3 HA SER 3 5.548 4.555 -3.157 15 HB2 SER 3 2HB SER 3 6.779 5.751 -1.113 16 HB3 SER 3 3HB SER 3 8.208 5.152 -1.954 17 HG SER 3 HG SER 3 7.776 6.423 -3.639 18 H TRP 4 H TRP 4 6.176 1.715 -2.904 19 HA TRP 4 HA TRP 4 8.766 1.316 -4.094 20 HB2 TRP 4 2HB TRP 4 7.490 -0.317 -2.568 21 HB3 TRP 4 3HB TRP 4 6.553 -0.726 -4.003 22 HD1 TRP 4 HD1 TRP 4 9.702 -0.182 -5.514 23 HE1 TRP 4 HE1 TRP 4 11.122 -2.322 -5.682 24 HE3 TRP 4 HE3 TRP 4 7.194 -3.088 -2.137 25 HZ2 TRP 4 HZ2 TRP 4 11.172 -4.901 -4.536 26 HZ3 TRP 4 HZ3 TRP 4 7.992 -5.380 -1.731 27 HH2 TRP 4 HH2 TRP 4 9.940 -6.266 -2.908 28 H ALA 5 H ALA 5 5.397 1.071 -5.200 29 HA ALA 5 HA ALA 5 5.785 0.217 -7.786 30 HB1 ALA 5 1HB ALA 5 3.624 0.834 -8.195 31 HB2 ALA 5 2HB ALA 5 3.616 0.862 -6.431 32 HB3 ALA 5 3HB ALA 5 3.781 2.366 -7.337 33 H GLU 6 H GLU 6 5.768 3.588 -6.634 34 HA GLU 6 HA GLU 6 6.271 4.809 -9.094 35 HB2 GLU 6 2HB GLU 6 6.564 5.583 -6.245 36 HB3 GLU 6 3HB GLU 6 7.464 6.538 -7.416 37 HG2 GLU 6 2HG GLU 6 5.176 6.650 -8.659 38 HG3 GLU 6 3HG GLU 6 4.519 6.243 -7.075 39 H PHE 7 H PHE 7 8.568 3.858 -6.545 40 HA PHE 7 HA PHE 7 10.900 4.659 -7.861 41 HB2 PHE 7 2HB PHE 7 10.223 2.949 -5.572 42 HB3 PHE 7 3HB PHE 7 11.723 2.504 -6.378 43 HD1 PHE 7 HD1 PHE 7 9.951 5.483 -5.017 44 HD2 PHE 7 HD2 PHE 7 13.676 3.573 -5.788 45 HE1 PHE 7 HE1 PHE 7 11.121 7.291 -3.826 46 HE2 PHE 7 HE2 PHE 7 14.851 5.377 -4.598 47 HZ PHE 7 HZ PHE 7 13.574 7.239 -3.614 48 H LYS 8 H LYS 8 9.030 1.694 -8.067 49 HA LYS 8 HA LYS 8 10.910 0.172 -9.527 50 HB2 LYS 8 2HB LYS 8 7.912 0.002 -9.262 51 HB3 LYS 8 3HB LYS 8 8.836 -1.139 -10.229 52 HG2 LYS 8 2HG LYS 8 10.178 -1.153 -7.837 53 HG3 LYS 8 3HG LYS 8 8.493 -0.978 -7.344 54 HD2 LYS 8 2HD LYS 8 9.580 -3.107 -9.188 55 HD3 LYS 8 3HD LYS 8 9.152 -3.334 -7.490 56 HE2 LYS 8 2HE LYS 8 6.843 -2.344 -8.314 57 HE3 LYS 8 3HE LYS 8 7.400 -2.964 -9.868 58 HZ1 LYS 8 3HZ LYS 8 6.826 -4.994 -9.248 59 HZ2 LYS 8 1HZ LYS 8 6.218 -4.386 -7.791 60 HZ3 LYS 8 2HZ LYS 8 7.822 -4.913 -7.883 61 H GLN 9 H GLN 9 8.236 2.267 -10.536 62 HA GLN 9 HA GLN 9 8.433 1.762 -13.298 63 HB2 GLN 9 2HB GLN 9 6.849 3.363 -11.612 64 HB3 GLN 9 3HB GLN 9 7.587 4.465 -12.767 65 HG2 GLN 9 2HG GLN 9 6.459 2.003 -13.910 66 HG3 GLN 9 3HG GLN 9 5.296 3.121 -13.200 67 HE21 GLN 9 1HE2 GLN 9 4.690 4.844 -14.339 68 HE22 GLN 9 2HE2 GLN 9 5.399 5.354 -15.829 69 H ARG 10 H ARG 10 9.584 4.596 -11.456 70 HA ARG 10 HA ARG 10 10.983 5.827 -13.507 71 HB2 ARG 10 2HB ARG 10 11.643 5.800 -10.556 72 HB3 ARG 10 3HB ARG 10 12.285 6.944 -11.727 73 HG2 ARG 10 2HG ARG 10 10.483 8.230 -11.583 74 HG3 ARG 10 3HG ARG 10 9.398 6.857 -11.806 75 HD2 ARG 10 2HD ARG 10 8.789 7.369 -9.691 76 HD3 ARG 10 3HD ARG 10 10.199 6.389 -9.290 77 HE ARG 10 HE ARG 10 11.237 8.273 -8.517 78 HH11 ARG 10 1HH1 ARG 10 8.536 9.204 -10.505 79 HH12 ARG 10 2HH1 ARG 10 8.666 10.889 -10.120 80 HH21 ARG 10 1HH2 ARG 10 11.418 10.487 -8.002 81 HH22 ARG 10 2HH2 ARG 10 10.306 11.617 -8.696 82 H LEU 11 H LEU 11 12.134 3.422 -11.163 83 HA LEU 11 HA LEU 11 14.809 3.361 -12.008 84 HB2 LEU 11 2HB LEU 11 13.040 1.399 -10.596 85 HB3 LEU 11 3HB LEU 11 14.690 0.968 -11.042 86 HG LEU 11 HG LEU 11 14.086 3.388 -9.366 87 HD11 LEU 11 1HD1 LEU 11 13.852 0.584 -8.633 88 HD12 LEU 11 2HD1 LEU 11 13.354 2.031 -7.757 89 HD13 LEU 11 3HD1 LEU 11 15.018 1.459 -7.639 90 HD21 LEU 11 3HD2 LEU 11 16.418 2.905 -8.583 91 HD22 LEU 11 1HD2 LEU 11 16.286 3.378 -10.277 92 HD23 LEU 11 2HD2 LEU 11 16.522 1.683 -9.852 93 H ALA 12 H ALA 12 11.965 1.588 -13.107 94 HA ALA 12 HA ALA 12 13.263 -0.248 -14.787 95 HB1 ALA 12 1HB ALA 12 10.538 0.656 -14.327 96 HB2 ALA 12 2HB ALA 12 10.839 0.222 -16.010 97 HB3 ALA 12 3HB ALA 12 11.147 -0.950 -14.729 98 H ALA 13 H ALA 13 11.898 2.961 -15.479 99 HA ALA 13 HA ALA 13 12.479 2.990 -18.228 100 HB1 ALA 13 1HB ALA 13 12.285 5.344 -16.353 101 HB2 ALA 13 2HB ALA 13 12.136 5.388 -18.111 102 HB3 ALA 13 3HB ALA 13 10.922 4.551 -17.143 103 H ILE 14 H ILE 14 14.340 4.133 -15.434 104 HA ILE 14 HA ILE 14 16.476 5.248 -16.894 105 HB ILE 14 HB ILE 14 16.503 4.100 -14.100 106 HG12 ILE 14 2HG1 ILE 14 16.327 7.011 -14.833 107 HG13 ILE 14 3HG1 ILE 14 14.877 6.020 -14.720 108 HG21 ILE 14 1HG2 ILE 14 18.749 4.284 -14.869 109 HG22 ILE 14 2HG2 ILE 14 18.447 5.880 -15.555 110 HG23 ILE 14 3HG2 ILE 14 18.445 5.658 -13.805 111 HD11 ILE 14 3HD1 ILE 14 14.847 6.576 -12.574 112 HD12 ILE 14 1HD1 ILE 14 16.204 5.468 -12.376 113 HD13 ILE 14 2HD1 ILE 14 16.500 7.189 -12.626 114 H LYS 15 H LYS 15 15.886 2.003 -15.650 115 HA LYS 15 HA LYS 15 18.445 0.941 -16.166 116 HB2 LYS 15 2HB LYS 15 16.022 0.006 -15.107 117 HB3 LYS 15 3HB LYS 15 16.348 -1.024 -16.495 118 HG2 LYS 15 2HG LYS 15 18.788 -0.918 -15.258 119 HG3 LYS 15 3HG LYS 15 17.664 -0.903 -13.897 120 HD2 LYS 15 2HD LYS 15 18.063 -3.176 -14.294 121 HD3 LYS 15 3HD LYS 15 16.509 -2.865 -15.073 122 HE2 LYS 15 2HE LYS 15 17.533 -2.768 -17.230 123 HE3 LYS 15 3HE LYS 15 19.149 -2.807 -16.525 124 HZ1 LYS 15 3HZ LYS 15 17.336 -4.975 -17.085 125 HZ2 LYS 15 1HZ LYS 15 18.032 -5.053 -15.545 126 HZ3 LYS 15 2HZ LYS 15 19.019 -4.988 -16.916 127 H THR 16 H THR 16 15.475 0.992 -18.106 128 HA THR 16 HA THR 16 16.434 -0.507 -20.275 129 HB THR 16 HB THR 16 14.457 1.734 -20.613 130 HG1 THR 16 HG1 THR 16 12.895 0.458 -19.685 131 HG21 THR 16 3HG2 THR 16 13.807 0.645 -22.478 132 HG22 THR 16 1HG2 THR 16 13.976 -0.944 -21.732 133 HG23 THR 16 2HG2 THR 16 15.395 -0.114 -22.370 134 H ARG 17 H ARG 17 16.186 3.035 -19.920 135 HA ARG 17 HA ARG 17 17.478 3.664 -22.333 136 HB2 ARG 17 2HB ARG 17 17.436 5.338 -19.817 137 HB3 ARG 17 3HB ARG 17 17.676 5.911 -21.463 138 HG2 ARG 17 2HG ARG 17 15.439 5.554 -22.037 139 HG3 ARG 17 3HG ARG 17 15.158 4.509 -20.643 140 HD2 ARG 17 2HD ARG 17 14.128 6.536 -20.080 141 HD3 ARG 17 3HD ARG 17 15.667 6.563 -19.219 142 HE ARG 17 HE ARG 17 16.198 7.827 -21.571 143 HH11 ARG 17 1HH1 ARG 17 13.848 8.262 -19.039 144 HH12 ARG 17 2HH1 ARG 17 13.725 9.975 -19.269 145 HH21 ARG 17 1HH2 ARG 17 16.045 10.081 -21.883 146 HH22 ARG 17 2HH2 ARG 17 14.974 11.008 -20.888 147 H CYS 18 H CYS 18 18.704 2.841 -19.177 148 HA CYS 18 HA CYS 18 21.367 3.774 -19.631 149 HB2 CYS 18 2HB CYS 18 20.845 3.611 -17.367 150 HB3 CYS 18 3HB CYS 18 20.047 2.055 -17.560 151 HG CYS 18 HG CYS 18 23.432 2.486 -17.814 152 H GLN 19 H GLN 19 19.742 0.642 -19.876 153 HA GLN 19 HA GLN 19 22.027 -0.896 -20.449 154 HB2 GLN 19 2HB GLN 19 19.135 -1.332 -21.211 155 HB3 GLN 19 3HB GLN 19 20.403 -2.536 -21.403 156 HG2 GLN 19 2HG GLN 19 20.414 -1.537 -18.720 157 HG3 GLN 19 3HG GLN 19 18.792 -2.070 -19.160 158 HE21 GLN 19 1HE2 GLN 19 22.018 -3.016 -18.459 159 HE22 GLN 19 2HE2 GLN 19 21.765 -4.724 -18.520 160 H ALA 20 H ALA 20 19.769 0.846 -22.537 161 HA ALA 20 HA ALA 20 21.218 0.031 -24.924 162 HB1 ALA 20 1HB ALA 20 18.578 1.006 -24.345 163 HB2 ALA 20 2HB ALA 20 19.327 1.976 -25.614 164 HB3 ALA 20 3HB ALA 20 19.190 0.228 -25.806 165 H LEU 21 H LEU 21 21.367 2.505 -22.633 166 HA LEU 21 HA LEU 21 22.602 4.406 -22.470 167 HB2 LEU 21 2HB LEU 21 23.866 3.570 -25.072 168 HB3 LEU 21 3HB LEU 21 24.530 4.671 -23.867 169 HG LEU 21 HG LEU 21 24.019 1.768 -23.272 170 HD11 LEU 21 1HD1 LEU 21 26.037 2.920 -24.997 171 HD12 LEU 21 2HD1 LEU 21 25.644 1.229 -24.689 172 HD13 LEU 21 3HD1 LEU 21 26.748 2.088 -23.615 173 HD21 LEU 21 3HD2 LEU 21 24.932 2.195 -21.281 174 HD22 LEU 21 1HD2 LEU 21 24.662 3.897 -21.656 175 HD23 LEU 21 2HD2 LEU 21 26.230 3.160 -21.985 176 H GLY 22 H GLY 22 20.172 4.040 -24.413 177 HA2 GLY 22 2HA GLY 22 18.961 5.352 -25.869 178 HA3 GLY 22 3HA GLY 22 19.591 6.671 -24.892 179 H GLY 23 H GLY 23 21.704 4.613 -26.758 180 HA2 GLY 23 2HA GLY 23 23.193 5.142 -28.430 181 HA3 GLY 23 3HA GLY 23 21.794 5.876 -29.199 182 H SER 24 H SER 24 23.073 7.016 -26.153 183 HA SER 24 HA SER 24 24.324 9.299 -27.506 184 HB2 SER 24 2HB SER 24 22.523 9.654 -25.109 185 HB3 SER 24 3HB SER 24 23.204 10.906 -26.148 186 HG SER 24 HG SER 24 20.983 9.310 -26.517 187 H GLU 25 H GLU 25 26.308 9.632 -26.768 188 HA GLU 25 HA GLU 25 27.397 8.157 -24.618 189 HB2 GLU 25 2HB GLU 25 29.386 9.673 -24.936 190 HB3 GLU 25 3HB GLU 25 28.861 8.812 -26.376 191 HG2 GLU 25 2HG GLU 25 28.721 10.728 -27.459 192 HG3 GLU 25 3HG GLU 25 27.480 11.270 -26.331 193 H ALA 26 H ALA 26 25.701 11.127 -24.753 194 HA ALA 26 HA ALA 26 26.759 12.148 -22.256 195 HB1 ALA 26 1HB ALA 26 24.308 13.384 -23.242 196 HB2 ALA 26 2HB ALA 26 25.875 14.105 -22.873 197 HB3 ALA 26 3HB ALA 26 25.603 13.339 -24.438 198 H GLU 27 H GLU 27 23.805 10.607 -23.431 199 HA GLU 27 HA GLU 27 22.145 10.889 -21.259 200 HB2 GLU 27 2HB GLU 27 22.484 8.762 -23.324 201 HB3 GLU 27 3HB GLU 27 21.430 8.434 -21.956 202 HG2 GLU 27 2HG GLU 27 21.166 10.799 -23.797 203 HG3 GLU 27 3HG GLU 27 20.238 9.306 -23.929 204 H CYS 28 H CYS 28 24.742 8.534 -21.724 205 HA CYS 28 HA CYS 28 24.345 6.874 -19.570 206 HB2 CYS 28 2HB CYS 28 27.040 7.888 -20.492 207 HB3 CYS 28 3HB CYS 28 26.714 6.379 -19.648 208 HG CYS 28 HG CYS 28 27.347 5.970 -22.405 209 H ALA 29 H ALA 29 26.142 9.943 -19.606 210 HA ALA 29 HA ALA 29 26.970 9.987 -16.961 211 HB1 ALA 29 1HB ALA 29 27.471 12.224 -17.266 212 HB2 ALA 29 2HB ALA 29 27.470 11.611 -18.920 213 HB3 ALA 29 3HB ALA 29 26.076 12.502 -18.310 214 H ALA 30 H ALA 30 23.953 11.263 -18.351 215 HA ALA 30 HA ALA 30 22.839 12.340 -16.054 216 HB1 ALA 30 1HB ALA 30 21.989 11.803 -18.682 217 HB2 ALA 30 2HB ALA 30 20.778 11.107 -17.605 218 HB3 ALA 30 3HB ALA 30 21.200 12.814 -17.471 219 H PHE 31 H PHE 31 22.711 9.009 -17.250 220 HA PHE 31 HA PHE 31 20.938 8.003 -15.316 221 HB2 PHE 31 2HB PHE 31 23.149 6.536 -16.770 222 HB3 PHE 31 3HB PHE 31 21.777 5.791 -15.956 223 HD1 PHE 31 HD2 PHE 31 19.653 7.729 -16.858 224 HD2 PHE 31 HD1 PHE 31 22.798 5.783 -18.965 225 HE1 PHE 31 HE2 PHE 31 18.344 7.871 -18.937 226 HE2 PHE 31 HE1 PHE 31 21.494 5.922 -21.047 227 HZ PHE 31 HZ PHE 31 19.264 6.966 -21.034 228 H GLU 32 H GLU 32 24.486 8.118 -15.394 229 HA GLU 32 HA GLU 32 25.002 6.747 -13.032 230 HB2 GLU 32 2HB GLU 32 26.517 8.064 -14.920 231 HB3 GLU 32 3HB GLU 32 26.776 9.032 -13.475 232 HG2 GLU 32 2HG GLU 32 27.744 7.269 -12.313 233 HG3 GLU 32 3HG GLU 32 27.067 6.057 -13.399 234 H LYS 33 H LYS 33 24.438 10.215 -13.536 235 HA LYS 33 HA LYS 33 24.752 10.954 -10.822 236 HB2 LYS 33 2HB LYS 33 23.625 12.242 -13.265 237 HB3 LYS 33 3HB LYS 33 23.232 12.946 -11.702 238 HG2 LYS 33 2HG LYS 33 25.105 14.130 -12.134 239 HG3 LYS 33 3HG LYS 33 25.866 12.723 -11.388 240 HD2 LYS 33 2HD LYS 33 26.260 11.758 -13.598 241 HD3 LYS 33 3HD LYS 33 25.476 13.148 -14.352 242 HE2 LYS 33 2HE LYS 33 27.791 13.556 -12.505 243 HE3 LYS 33 3HE LYS 33 28.075 13.053 -14.171 244 HZ1 LYS 33 3HZ LYS 33 28.147 15.343 -14.294 245 HZ2 LYS 33 1HZ LYS 33 26.899 15.564 -13.173 246 HZ3 LYS 33 2HZ LYS 33 26.546 15.024 -14.737 247 H GLU 34 H GLU 34 21.781 10.661 -12.782 248 HA GLU 34 HA GLU 34 19.925 11.032 -10.780 249 HB2 GLU 34 2HB GLU 34 19.863 10.258 -13.455 250 HB3 GLU 34 3HB GLU 34 19.093 8.927 -12.603 251 HG2 GLU 34 2HG GLU 34 17.828 10.954 -11.423 252 HG3 GLU 34 3HG GLU 34 18.200 11.719 -12.967 253 H ILE 35 H ILE 35 21.424 7.978 -11.805 254 HA ILE 35 HA ILE 35 20.060 6.308 -10.007 255 HB ILE 35 HB ILE 35 22.749 6.011 -11.335 256 HG12 ILE 35 2HG1 ILE 35 20.666 5.982 -12.736 257 HG13 ILE 35 3HG1 ILE 35 21.608 4.496 -12.813 258 HG21 ILE 35 1HG2 ILE 35 21.335 4.207 -9.415 259 HG22 ILE 35 2HG2 ILE 35 22.356 3.531 -10.683 260 HG23 ILE 35 3HG2 ILE 35 23.042 4.639 -9.495 261 HD11 ILE 35 3HD1 ILE 35 19.230 4.033 -12.684 262 HD12 ILE 35 1HD1 ILE 35 20.067 3.438 -11.251 263 HD13 ILE 35 2HD1 ILE 35 19.126 4.927 -11.168 264 H ALA 36 H ALA 36 23.141 8.031 -9.714 265 HA ALA 36 HA ALA 36 24.011 7.003 -7.287 266 HB1 ALA 36 1HB ALA 36 24.361 9.792 -8.379 267 HB2 ALA 36 2HB ALA 36 25.282 9.101 -7.043 268 HB3 ALA 36 3HB ALA 36 25.420 8.410 -8.660 269 H ALA 37 H ALA 37 21.926 9.823 -7.885 270 HA ALA 37 HA ALA 37 21.567 10.503 -5.167 271 HB1 ALA 37 1HB ALA 37 19.747 11.085 -7.500 272 HB2 ALA 37 2HB ALA 37 19.743 11.908 -5.940 273 HB3 ALA 37 3HB ALA 37 21.134 12.060 -7.014 274 H PHE 38 H PHE 38 19.749 8.430 -7.375 275 HA PHE 38 HA PHE 38 17.500 7.961 -5.808 276 HB2 PHE 38 2HB PHE 38 18.696 6.827 -8.161 277 HB3 PHE 38 3HB PHE 38 18.119 5.532 -7.116 278 HD1 PHE 38 HD2 PHE 38 15.723 6.579 -5.928 279 HD2 PHE 38 HD1 PHE 38 17.203 7.086 -9.887 280 HE1 PHE 38 HE2 PHE 38 13.428 6.951 -6.735 281 HE2 PHE 38 HE1 PHE 38 14.911 7.460 -10.699 282 HZ PHE 38 HZ PHE 38 13.020 7.391 -9.123 283 H GLU 39 H GLU 39 20.437 5.948 -6.036 284 HA GLU 39 HA GLU 39 19.745 4.169 -3.985 285 HB2 GLU 39 2HB GLU 39 22.155 3.602 -3.931 286 HB3 GLU 39 3HB GLU 39 21.498 3.630 -5.561 287 HG2 GLU 39 2HG GLU 39 22.446 5.871 -5.886 288 HG3 GLU 39 3HG GLU 39 23.144 5.793 -4.269 289 H SER 40 H SER 40 21.520 7.220 -3.921 290 HA SER 40 HA SER 40 22.357 7.107 -1.239 291 HB2 SER 40 2HB SER 40 23.430 8.731 -2.555 292 HB3 SER 40 3HB SER 40 21.907 9.369 -3.173 293 HG SER 40 HG SER 40 21.526 10.337 -1.221 294 H GLU 41 H GLU 41 19.338 8.061 -2.720 295 HA GLU 41 HA GLU 41 18.274 9.236 -0.314 296 HB2 GLU 41 2HB GLU 41 17.415 8.901 -3.099 297 HB3 GLU 41 3HB GLU 41 16.107 8.758 -1.933 298 HG2 GLU 41 2HG GLU 41 17.982 11.087 -2.263 299 HG3 GLU 41 3HG GLU 41 16.272 11.031 -2.687 300 H LEU 42 H LEU 42 18.180 6.129 -1.916 301 HA LEU 42 HA LEU 42 16.040 5.047 -0.374 302 HB2 LEU 42 2HB LEU 42 18.196 3.777 -2.044 303 HB3 LEU 42 3HB LEU 42 16.938 2.851 -1.229 304 HG LEU 42 HG LEU 42 16.024 5.025 -3.014 305 HD11 LEU 42 1HD1 LEU 42 16.266 3.532 -4.994 306 HD12 LEU 42 2HD1 LEU 42 17.338 2.514 -4.033 307 HD13 LEU 42 3HD1 LEU 42 17.789 4.182 -4.386 308 HD21 LEU 42 3HD2 LEU 42 15.163 2.285 -2.193 309 HD22 LEU 42 1HD2 LEU 42 14.517 3.007 -3.667 310 HD23 LEU 42 2HD2 LEU 42 14.281 3.811 -2.115 311 H GLN 43 H GLN 43 19.526 5.177 -0.024 312 HA GLN 43 HA GLN 43 19.728 3.272 2.068 313 HB2 GLN 43 2HB GLN 43 21.971 3.967 2.296 314 HB3 GLN 43 3HB GLN 43 21.604 4.148 0.585 315 HG2 GLN 43 2HG GLN 43 22.334 6.229 0.714 316 HG3 GLN 43 3HG GLN 43 20.952 6.601 1.743 317 HE21 GLN 43 1HE2 GLN 43 21.489 7.584 3.542 318 HE22 GLN 43 2HE2 GLN 43 22.948 7.359 4.438 319 H ALA 44 H ALA 44 18.625 6.503 1.959 320 HA ALA 44 HA ALA 44 19.190 7.160 4.698 321 HB1 ALA 44 1HB ALA 44 17.093 8.572 3.116 322 HB2 ALA 44 2HB ALA 44 18.267 9.219 4.263 323 HB3 ALA 44 3HB ALA 44 18.786 8.734 2.649 324 H TYR 45 H TYR 45 16.734 5.431 3.038 325 HA TYR 45 HA TYR 45 14.634 5.825 4.930 326 HB2 TYR 45 2HB TYR 45 15.102 3.928 2.655 327 HB3 TYR 45 3HB TYR 45 13.768 3.650 3.770 328 HD1 TYR 45 HD1 TYR 45 15.195 6.681 2.098 329 HD2 TYR 45 HD2 TYR 45 11.754 4.302 2.870 330 HE1 TYR 45 HE1 TYR 45 13.815 8.278 0.835 331 HE2 TYR 45 HE2 TYR 45 10.365 5.891 1.607 332 HH TYR 45 HH TYR 45 10.416 7.642 0.168 333 H LYS 46 H LYS 46 16.474 2.865 4.165 334 HA LYS 46 HA LYS 46 16.972 1.035 5.432 335 HB2 LYS 46 2HB LYS 46 18.374 3.043 6.396 336 HB3 LYS 46 3HB LYS 46 17.338 2.826 7.800 337 HG2 LYS 46 2HG LYS 46 18.086 0.564 8.077 338 HG3 LYS 46 3HG LYS 46 19.003 0.641 6.570 339 HD2 LYS 46 2HD LYS 46 20.749 1.234 7.833 340 HD3 LYS 46 3HD LYS 46 19.951 2.799 8.003 341 HE2 LYS 46 2HE LYS 46 19.241 0.548 9.838 342 HE3 LYS 46 3HE LYS 46 20.708 1.484 10.122 343 HZ1 LYS 46 3HZ LYS 46 18.038 2.162 10.726 344 HZ2 LYS 46 1HZ LYS 46 18.668 3.304 9.648 345 HZ3 LYS 46 2HZ LYS 46 19.457 2.999 11.112 346 H GLY 47 H GLY 47 14.391 0.978 5.219 347 HA2 GLY 47 2HA GLY 47 13.055 1.129 7.788 348 HA3 GLY 47 3HA GLY 47 12.332 0.650 6.260 349 H LYS 48 H LYS 48 12.981 -0.449 9.228 350 HA LYS 48 HA LYS 48 14.228 -2.898 9.012 351 HB2 LYS 48 2HB LYS 48 12.619 -1.563 10.929 352 HB3 LYS 48 3HB LYS 48 11.968 -3.186 10.747 353 HG2 LYS 48 2HG LYS 48 13.975 -4.189 11.416 354 HG3 LYS 48 3HG LYS 48 14.894 -2.701 11.184 355 HD2 LYS 48 2HD LYS 48 12.666 -2.835 13.185 356 HD3 LYS 48 3HD LYS 48 14.279 -3.428 13.588 357 HE2 LYS 48 2HE LYS 48 15.025 -1.096 12.643 358 HE3 LYS 48 3HE LYS 48 13.360 -0.649 13.009 359 HZ1 LYS 48 3HZ LYS 48 14.541 -0.129 14.928 360 HZ2 LYS 48 1HZ LYS 48 15.473 -1.540 14.871 361 HZ3 LYS 48 2HZ LYS 48 13.838 -1.623 15.297 362 H GLY 49 H GLY 49 10.686 -2.421 8.929 363 HA2 GLY 49 2HA GLY 49 10.409 -5.015 7.609 364 HA3 GLY 49 3HA GLY 49 9.105 -4.047 8.282 365 H ASN 50 H ASN 50 11.503 -2.625 6.198 366 HA ASN 50 HA ASN 50 9.437 -2.340 4.119 367 HB2 ASN 50 2HB ASN 50 11.808 -0.551 4.706 368 HB3 ASN 50 3HB ASN 50 10.619 -0.291 3.432 369 HD21 ASN 50 1HD2 ASN 50 10.769 1.774 4.890 370 HD22 ASN 50 2HD2 ASN 50 9.530 1.887 6.089 371 HA PRO 51 HA PRO 51 12.661 -5.049 2.238 372 HB2 PRO 51 2HB PRO 51 10.885 -6.559 0.848 373 HB3 PRO 51 3HB PRO 51 11.316 -6.889 2.530 374 HG2 PRO 51 2HG PRO 51 8.918 -5.473 1.432 375 HG3 PRO 51 3HG PRO 51 9.011 -6.668 2.739 376 HD2 PRO 51 2HD PRO 51 8.818 -4.008 3.208 377 HD3 PRO 51 3HD PRO 51 9.700 -5.107 4.288 378 H GLU 52 H GLU 52 10.208 -2.945 1.081 379 HA GLU 52 HA GLU 52 10.433 -3.191 -1.678 380 HB2 GLU 52 2HB GLU 52 9.729 -0.793 -1.750 381 HB3 GLU 52 3HB GLU 52 8.715 -1.810 -0.737 382 HG2 GLU 52 2HG GLU 52 9.578 -0.904 1.238 383 HG3 GLU 52 3HG GLU 52 10.964 -0.197 0.409 384 H VAL 53 H VAL 53 12.564 -1.671 0.634 385 HA VAL 53 HA VAL 53 14.121 -0.236 -1.288 386 HB VAL 53 HB VAL 53 14.966 -1.064 1.489 387 HG11 VAL 53 1HG1 VAL 53 15.979 1.446 0.871 388 HG12 VAL 53 2HG1 VAL 53 16.871 -0.077 0.889 389 HG13 VAL 53 3HG1 VAL 53 16.168 0.517 -0.616 390 HG21 VAL 53 3HG2 VAL 53 12.835 0.068 1.646 391 HG22 VAL 53 1HG2 VAL 53 14.116 1.144 2.206 392 HG23 VAL 53 2HG2 VAL 53 13.413 1.368 0.604 393 H GLU 54 H GLU 54 14.013 -3.491 -0.225 394 HA GLU 54 HA GLU 54 16.661 -4.303 -0.559 395 HB2 GLU 54 2HB GLU 54 14.154 -5.886 -1.152 396 HB3 GLU 54 3HB GLU 54 15.758 -6.558 -0.888 397 HG2 GLU 54 2HG GLU 54 15.748 -5.962 1.387 398 HG3 GLU 54 3HG GLU 54 14.352 -4.905 1.183 399 H ALA 55 H ALA 55 13.994 -4.523 -2.919 400 HA ALA 55 HA ALA 55 15.659 -5.304 -5.073 401 HB1 ALA 55 1HB ALA 55 13.035 -3.919 -5.469 402 HB2 ALA 55 2HB ALA 55 13.758 -5.231 -6.400 403 HB3 ALA 55 3HB ALA 55 13.102 -5.547 -4.794 404 H LEU 56 H LEU 56 14.402 -2.178 -4.002 405 HA LEU 56 HA LEU 56 15.214 -0.637 -6.190 406 HB2 LEU 56 2HB LEU 56 14.586 -0.096 -3.338 407 HB3 LEU 56 3HB LEU 56 15.418 1.163 -4.248 408 HG LEU 56 HG LEU 56 13.596 1.591 -5.583 409 HD11 LEU 56 1HD1 LEU 56 11.711 -0.003 -5.883 410 HD12 LEU 56 2HD1 LEU 56 12.623 -1.189 -4.949 411 HD13 LEU 56 3HD1 LEU 56 13.257 -0.601 -6.486 412 HD21 LEU 56 3HD2 LEU 56 12.250 2.356 -3.993 413 HD22 LEU 56 1HD2 LEU 56 13.115 1.350 -2.830 414 HD23 LEU 56 2HD2 LEU 56 11.675 0.726 -3.636 415 H ARG 57 H ARG 57 16.912 -1.336 -3.143 416 HA ARG 57 HA ARG 57 19.240 0.130 -3.759 417 HB2 ARG 57 2HB ARG 57 18.388 -0.928 -1.506 418 HB3 ARG 57 3HB ARG 57 19.351 -2.305 -2.026 419 HG2 ARG 57 2HG ARG 57 21.245 -1.315 -1.427 420 HG3 ARG 57 3HG ARG 57 20.818 0.173 -2.274 421 HD2 ARG 57 2HD ARG 57 20.140 1.178 -0.393 422 HD3 ARG 57 3HD ARG 57 19.272 -0.253 0.161 423 HE ARG 57 HE ARG 57 22.133 -0.453 0.398 424 HH11 ARG 57 1HH1 ARG 57 19.189 0.599 1.929 425 HH12 ARG 57 2HH1 ARG 57 19.838 0.513 3.533 426 HH21 ARG 57 1HH2 ARG 57 22.999 -0.572 2.505 427 HH22 ARG 57 2HH2 ARG 57 22.006 -0.153 3.859 428 H LYS 58 H LYS 58 18.382 -3.272 -4.225 429 HA LYS 58 HA LYS 58 20.883 -4.140 -5.178 430 HB2 LYS 58 2HB LYS 58 18.497 -5.350 -4.590 431 HB3 LYS 58 3HB LYS 58 18.537 -5.473 -6.344 432 HG2 LYS 58 2HG LYS 58 19.901 -7.204 -6.192 433 HG3 LYS 58 3HG LYS 58 21.097 -6.198 -5.371 434 HD2 LYS 58 2HD LYS 58 19.508 -6.644 -3.299 435 HD3 LYS 58 3HD LYS 58 19.084 -8.075 -4.242 436 HE2 LYS 58 2HE LYS 58 21.944 -7.332 -3.723 437 HE3 LYS 58 3HE LYS 58 21.010 -8.253 -2.546 438 HZ1 LYS 58 3HZ LYS 58 21.612 -9.035 -5.345 439 HZ2 LYS 58 1HZ LYS 58 20.555 -9.883 -4.332 440 HZ3 LYS 58 2HZ LYS 58 22.195 -9.767 -3.935 441 H GLU 59 H GLU 59 17.922 -3.399 -7.032 442 HA GLU 59 HA GLU 59 19.049 -3.573 -9.568 443 HB2 GLU 59 2HB GLU 59 16.812 -3.407 -9.834 444 HB3 GLU 59 3HB GLU 59 16.616 -2.408 -8.400 445 HG2 GLU 59 2HG GLU 59 17.059 -0.437 -9.566 446 HG3 GLU 59 3HG GLU 59 17.778 -1.297 -10.926 447 H ALA 60 H ALA 60 18.618 -0.697 -7.517 448 HA ALA 60 HA ALA 60 19.644 1.234 -9.195 449 HB1 ALA 60 1HB ALA 60 18.654 1.931 -7.170 450 HB2 ALA 60 2HB ALA 60 19.778 0.977 -6.202 451 HB3 ALA 60 3HB ALA 60 20.350 2.405 -7.064 452 H ALA 61 H ALA 61 21.471 -0.650 -6.777 453 HA ALA 61 HA ALA 61 23.998 0.351 -7.314 454 HB1 ALA 61 1HB ALA 61 22.955 -2.160 -6.136 455 HB2 ALA 61 2HB ALA 61 24.653 -2.131 -6.613 456 HB3 ALA 61 3HB ALA 61 24.043 -0.951 -5.453 457 H ALA 62 H ALA 62 22.319 -2.380 -8.835 458 HA ALA 62 HA ALA 62 24.389 -3.261 -10.486 459 HB1 ALA 62 1HB ALA 62 22.226 -4.441 -10.059 460 HB2 ALA 62 2HB ALA 62 21.460 -3.319 -11.184 461 HB3 ALA 62 3HB ALA 62 22.725 -4.410 -11.751 462 H ILE 63 H ILE 63 21.835 -0.873 -11.130 463 HA ILE 63 HA ILE 63 22.520 -0.302 -13.780 464 HB ILE 63 HB ILE 63 21.323 1.586 -11.748 465 HG12 ILE 63 2HG1 ILE 63 19.807 -0.006 -13.800 466 HG13 ILE 63 3HG1 ILE 63 20.186 -0.693 -12.224 467 HG21 ILE 63 1HG2 ILE 63 22.143 2.779 -13.681 468 HG22 ILE 63 2HG2 ILE 63 21.328 1.650 -14.761 469 HG23 ILE 63 3HG2 ILE 63 20.381 2.721 -13.729 470 HD11 ILE 63 3HD1 ILE 63 17.945 0.258 -12.289 471 HD12 ILE 63 1HD1 ILE 63 18.973 1.105 -11.134 472 HD13 ILE 63 2HD1 ILE 63 18.622 1.833 -12.702 473 H ARG 64 H ARG 64 23.608 1.194 -10.752 474 HA ARG 64 HA ARG 64 25.158 3.238 -11.848 475 HB2 ARG 64 2HB ARG 64 24.518 2.842 -9.401 476 HB3 ARG 64 3HB ARG 64 25.894 1.749 -9.335 477 HG2 ARG 64 2HG ARG 64 26.444 4.427 -10.425 478 HG3 ARG 64 3HG ARG 64 26.015 4.360 -8.715 479 HD2 ARG 64 2HD ARG 64 27.814 2.261 -9.108 480 HD3 ARG 64 3HD ARG 64 28.473 3.613 -10.026 481 HE ARG 64 HE ARG 64 28.941 4.680 -8.055 482 HH11 ARG 64 1HH1 ARG 64 26.730 2.061 -7.443 483 HH12 ARG 64 2HH1 ARG 64 26.835 2.203 -5.720 484 HH21 ARG 64 1HH2 ARG 64 29.088 4.876 -5.787 485 HH22 ARG 64 2HH2 ARG 64 28.176 3.805 -4.779 486 H ASP 65 H ASP 65 26.097 -0.064 -10.925 487 HA ASP 65 HA ASP 65 28.804 0.113 -11.578 488 HB2 ASP 65 2HB ASP 65 27.069 -2.347 -11.861 489 HB3 ASP 65 3HB ASP 65 28.812 -2.301 -11.611 490 H GLU 66 H GLU 66 26.031 -0.826 -13.579 491 HA GLU 66 HA GLU 66 27.442 -1.530 -15.887 492 HB2 GLU 66 2HB GLU 66 24.707 -0.252 -15.788 493 HB3 GLU 66 3HB GLU 66 25.355 -1.260 -17.074 494 HG2 GLU 66 2HG GLU 66 25.464 -2.646 -14.560 495 HG3 GLU 66 3HG GLU 66 23.832 -2.065 -14.881 496 H CYS 67 H CYS 67 26.071 1.596 -14.908 497 HA CYS 67 HA CYS 67 26.713 3.048 -17.197 498 HB2 CYS 67 2HB CYS 67 26.499 3.923 -14.314 499 HB3 CYS 67 3HB CYS 67 26.685 5.046 -15.655 500 HG CYS 67 HG CYS 67 24.273 4.233 -16.894 501 H GLN 68 H GLN 68 28.623 2.471 -14.266 502 HA GLN 68 HA GLN 68 30.831 4.062 -15.061 503 HB2 GLN 68 2HB GLN 68 30.972 1.716 -13.177 504 HB3 GLN 68 3HB GLN 68 31.971 3.163 -13.185 505 HG2 GLN 68 2HG GLN 68 29.346 4.068 -12.881 506 HG3 GLN 68 3HG GLN 68 29.492 2.660 -11.830 507 HE21 GLN 68 1HE2 GLN 68 29.286 5.591 -11.298 508 HE22 GLN 68 2HE2 GLN 68 30.620 5.945 -10.259 509 H ALA 69 H ALA 69 29.873 0.783 -15.707 510 HA ALA 69 HA ALA 69 32.460 -0.026 -16.698 511 HB1 ALA 69 1HB ALA 69 30.887 -1.614 -15.625 512 HB2 ALA 69 2HB ALA 69 29.809 -1.426 -17.008 513 HB3 ALA 69 3HB ALA 69 31.413 -2.123 -17.229 514 H TYR 70 H TYR 70 30.014 1.878 -17.900 515 HA TYR 70 HA TYR 70 30.451 1.078 -20.685 516 HB2 TYR 70 2HB TYR 70 28.453 3.005 -19.482 517 HB3 TYR 70 3HB TYR 70 28.565 2.602 -21.192 518 HD1 TYR 70 HD1 TYR 70 29.179 -0.398 -20.667 519 HD2 TYR 70 HD2 TYR 70 26.181 2.257 -19.229 520 HE1 TYR 70 HE1 TYR 70 27.665 -2.305 -20.318 521 HE2 TYR 70 HE2 TYR 70 24.660 0.357 -18.875 522 HH TYR 70 HH TYR 70 24.842 -2.419 -20.221 523 H ARG 71 H ARG 71 30.818 3.805 -18.483 524 HA ARG 71 HA ARG 71 32.661 5.028 -20.411 525 HB2 ARG 71 2HB ARG 71 30.193 6.052 -20.129 526 HB3 ARG 71 3HB ARG 71 30.994 6.879 -18.800 527 HG2 ARG 71 2HG ARG 71 32.710 7.681 -20.402 528 HG3 ARG 71 3HG ARG 71 31.770 6.954 -21.707 529 HD2 ARG 71 2HD ARG 71 30.484 8.760 -21.806 530 HD3 ARG 71 3HD ARG 71 30.024 8.540 -20.118 531 HE ARG 71 HE ARG 71 32.576 9.776 -20.354 532 HH11 ARG 71 1HH1 ARG 71 29.155 10.385 -20.569 533 HH12 ARG 71 2HH1 ARG 71 29.295 12.063 -20.161 534 HH21 ARG 71 1HH2 ARG 71 32.774 11.984 -19.816 535 HH22 ARG 71 2HH2 ARG 71 31.355 12.971 -19.733 536 H HIS 72 H HIS 72 33.453 3.466 -18.293 537 HA HIS 72 HA HIS 72 35.263 5.134 -16.951 538 HB2 HIS 72 2HB HIS 72 32.817 5.395 -15.794 539 HB3 HIS 72 3HB HIS 72 33.479 4.057 -14.859 540 HD1 HIS 72 HD1 HIS 72 36.403 4.968 -14.634 541 HD2 HIS 72 HD2 HIS 72 33.135 7.469 -14.063 542 HE1 HIS 72 HE1 HIS 72 37.244 6.858 -13.204 543 H ASN 73 H ASN 73 35.148 2.627 -18.375 544 HA ASN 73 HA ASN 73 36.534 0.969 -16.405 545 HB2 ASN 73 2HB ASN 73 34.454 -0.119 -16.353 546 HB3 ASN 73 3HB ASN 73 34.184 0.119 -18.077 547 HD21 ASN 73 1HD2 ASN 73 35.652 -1.836 -15.653 548 HD22 ASN 73 2HD2 ASN 73 36.176 -3.112 -16.694 Start of MODEL 20 1 H1 MET 1 H MET 1 2.631 -0.700 -6.265 2 HA MET 1 HA MET 1 1.191 -0.028 -4.603 3 HB2 MET 1 2HB MET 1 3.209 -1.804 -3.631 4 HB3 MET 1 3HB MET 1 2.784 -0.685 -2.343 5 HG2 MET 1 2HG MET 1 0.700 -1.520 -2.112 6 HG3 MET 1 3HG MET 1 0.539 -1.890 -3.827 7 HE1 MET 1 3HE MET 1 1.608 -3.527 -5.005 8 HE2 MET 1 1HE MET 1 2.582 -4.874 -4.416 9 HE3 MET 1 2HE MET 1 0.824 -5.011 -4.460 10 H GLY 2 H GLY 2 0.838 2.097 -4.371 11 HA2 GLY 2 2HA GLY 2 1.002 4.229 -3.536 12 HA3 GLY 2 3HA GLY 2 1.992 3.546 -2.254 13 H SER 3 H SER 3 3.825 4.637 -2.080 14 HA SER 3 HA SER 3 4.927 6.189 -4.186 15 HB2 SER 3 2HB SER 3 5.963 5.379 -1.470 16 HB3 SER 3 3HB SER 3 6.905 6.378 -2.577 17 HG SER 3 HG SER 3 4.953 7.125 -0.928 18 H TRP 4 H TRP 4 5.668 3.017 -2.845 19 HA TRP 4 HA TRP 4 8.108 2.502 -4.029 20 HB2 TRP 4 2HB TRP 4 7.217 0.934 -2.460 21 HB3 TRP 4 3HB TRP 4 5.789 0.655 -3.454 22 HD1 TRP 4 HD1 TRP 4 6.164 -0.811 -5.727 23 HE1 TRP 4 HE1 TRP 4 7.899 -2.635 -6.262 24 HE3 TRP 4 HE3 TRP 4 9.568 0.202 -2.049 25 HZ2 TRP 4 HZ2 TRP 4 10.382 -3.527 -5.259 26 HZ3 TRP 4 HZ3 TRP 4 11.596 -1.184 -1.905 27 HH2 TRP 4 HH2 TRP 4 11.992 -3.010 -3.477 28 H ALA 5 H ALA 5 4.866 2.084 -5.405 29 HA ALA 5 HA ALA 5 5.498 0.861 -7.795 30 HB1 ALA 5 1HB ALA 5 3.308 1.076 -8.065 31 HB2 ALA 5 2HB ALA 5 3.251 2.186 -6.694 32 HB3 ALA 5 3HB ALA 5 3.496 2.811 -8.325 33 H GLU 6 H GLU 6 5.381 4.359 -7.127 34 HA GLU 6 HA GLU 6 6.092 5.252 -9.668 35 HB2 GLU 6 2HB GLU 6 5.404 6.499 -7.401 36 HB3 GLU 6 3HB GLU 6 7.143 6.745 -7.322 37 HG2 GLU 6 2HG GLU 6 6.928 7.617 -9.723 38 HG3 GLU 6 3HG GLU 6 5.202 7.718 -9.381 39 H PHE 7 H PHE 7 8.174 4.560 -6.869 40 HA PHE 7 HA PHE 7 10.614 5.214 -8.063 41 HB2 PHE 7 2HB PHE 7 9.722 3.843 -5.660 42 HB3 PHE 7 3HB PHE 7 11.186 3.119 -6.316 43 HD1 PHE 7 HD1 PHE 7 9.772 6.489 -5.570 44 HD2 PHE 7 HD2 PHE 7 13.205 3.974 -5.641 45 HE1 PHE 7 HE1 PHE 7 11.108 8.290 -4.558 46 HE2 PHE 7 HE2 PHE 7 14.546 5.771 -4.628 47 HZ PHE 7 HZ PHE 7 13.499 7.932 -4.084 48 H LYS 8 H LYS 8 8.778 2.203 -8.059 49 HA LYS 8 HA LYS 8 10.741 0.588 -9.283 50 HB2 LYS 8 2HB LYS 8 7.850 0.398 -8.722 51 HB3 LYS 8 3HB LYS 8 8.414 -0.570 -10.076 52 HG2 LYS 8 2HG LYS 8 9.543 -0.665 -7.286 53 HG3 LYS 8 3HG LYS 8 8.395 -1.820 -7.967 54 HD2 LYS 8 2HD LYS 8 10.726 -1.430 -9.662 55 HD3 LYS 8 3HD LYS 8 11.152 -2.008 -8.049 56 HE2 LYS 8 2HE LYS 8 9.289 -3.739 -8.400 57 HE3 LYS 8 3HE LYS 8 9.375 -3.290 -10.102 58 HZ1 LYS 8 3HZ LYS 8 11.844 -3.770 -9.885 59 HZ2 LYS 8 1HZ LYS 8 10.802 -5.103 -9.884 60 HZ3 LYS 8 2HZ LYS 8 11.464 -4.546 -8.431 61 H GLN 9 H GLN 9 8.062 2.489 -10.618 62 HA GLN 9 HA GLN 9 8.375 1.723 -13.298 63 HB2 GLN 9 2HB GLN 9 6.711 3.449 -11.863 64 HB3 GLN 9 3HB GLN 9 7.527 4.481 -13.030 65 HG2 GLN 9 2HG GLN 9 6.687 3.263 -14.854 66 HG3 GLN 9 3HG GLN 9 6.180 1.923 -13.827 67 HE21 GLN 9 1HE2 GLN 9 4.391 2.916 -15.552 68 HE22 GLN 9 2HE2 GLN 9 3.175 3.825 -14.728 69 H ARG 10 H ARG 10 9.451 4.754 -11.748 70 HA ARG 10 HA ARG 10 10.923 5.772 -13.848 71 HB2 ARG 10 2HB ARG 10 10.451 7.062 -11.839 72 HB3 ARG 10 3HB ARG 10 11.481 6.001 -10.886 73 HG2 ARG 10 2HG ARG 10 12.680 7.386 -13.223 74 HG3 ARG 10 3HG ARG 10 12.330 8.330 -11.774 75 HD2 ARG 10 2HD ARG 10 13.525 6.139 -10.704 76 HD3 ARG 10 3HD ARG 10 14.369 6.269 -12.247 77 HE ARG 10 HE ARG 10 14.201 8.751 -10.810 78 HH11 ARG 10 1HH1 ARG 10 16.004 5.803 -11.230 79 HH12 ARG 10 2HH1 ARG 10 17.487 6.472 -10.637 80 HH21 ARG 10 1HH2 ARG 10 16.148 9.644 -10.026 81 HH22 ARG 10 2HH2 ARG 10 17.568 8.657 -9.951 82 H LEU 11 H LEU 11 12.028 3.606 -11.257 83 HA LEU 11 HA LEU 11 14.711 3.447 -11.978 84 HB2 LEU 11 2HB LEU 11 12.824 1.736 -10.467 85 HB3 LEU 11 3HB LEU 11 14.328 0.989 -11.003 86 HG LEU 11 HG LEU 11 14.528 3.577 -9.563 87 HD11 LEU 11 1HD1 LEU 11 12.916 1.632 -8.478 88 HD12 LEU 11 2HD1 LEU 11 13.758 2.898 -7.585 89 HD13 LEU 11 3HD1 LEU 11 14.489 1.302 -7.751 90 HD21 LEU 11 3HD2 LEU 11 16.166 1.240 -8.854 91 HD22 LEU 11 1HD2 LEU 11 16.641 2.906 -9.185 92 HD23 LEU 11 2HD2 LEU 11 16.327 1.797 -10.521 93 H ALA 12 H ALA 12 11.956 1.496 -13.063 94 HA ALA 12 HA ALA 12 13.350 -0.339 -14.637 95 HB1 ALA 12 1HB ALA 12 11.250 -1.089 -14.625 96 HB2 ALA 12 2HB ALA 12 10.589 0.519 -14.327 97 HB3 ALA 12 3HB ALA 12 10.969 0.013 -15.973 98 H ALA 13 H ALA 13 11.985 2.824 -15.497 99 HA ALA 13 HA ALA 13 12.617 2.759 -18.230 100 HB1 ALA 13 1HB ALA 13 12.800 5.435 -17.280 101 HB2 ALA 13 2HB ALA 13 11.487 4.665 -18.171 102 HB3 ALA 13 3HB ALA 13 11.504 4.615 -16.408 103 H ILE 14 H ILE 14 14.460 3.925 -15.439 104 HA ILE 14 HA ILE 14 16.620 5.023 -16.859 105 HB ILE 14 HB ILE 14 16.597 3.811 -14.093 106 HG12 ILE 14 2HG1 ILE 14 15.022 5.721 -14.500 107 HG13 ILE 14 3HG1 ILE 14 16.253 6.050 -13.286 108 HG21 ILE 14 1HG2 ILE 14 18.810 4.042 -14.172 109 HG22 ILE 14 2HG2 ILE 14 18.737 4.905 -15.708 110 HG23 ILE 14 3HG2 ILE 14 18.537 5.784 -14.192 111 HD11 ILE 14 3HD1 ILE 14 16.574 6.888 -16.146 112 HD12 ILE 14 1HD1 ILE 14 15.743 7.887 -14.954 113 HD13 ILE 14 2HD1 ILE 14 17.440 7.467 -14.723 114 H LYS 15 H LYS 15 16.053 1.762 -15.611 115 HA LYS 15 HA LYS 15 18.596 0.716 -16.252 116 HB2 LYS 15 2HB LYS 15 16.245 -0.224 -15.042 117 HB3 LYS 15 3HB LYS 15 16.507 -1.274 -16.428 118 HG2 LYS 15 2HG LYS 15 19.011 -1.090 -15.303 119 HG3 LYS 15 3HG LYS 15 17.936 -1.123 -13.904 120 HD2 LYS 15 2HD LYS 15 17.533 -3.074 -16.133 121 HD3 LYS 15 3HD LYS 15 18.803 -3.356 -14.940 122 HE2 LYS 15 2HE LYS 15 16.614 -2.679 -13.403 123 HE3 LYS 15 3HE LYS 15 15.916 -3.643 -14.704 124 HZ1 LYS 15 3HZ LYS 15 17.626 -5.351 -14.198 125 HZ2 LYS 15 1HZ LYS 15 16.522 -5.098 -12.942 126 HZ3 LYS 15 2HZ LYS 15 18.080 -4.449 -12.841 127 H THR 16 H THR 16 15.536 0.809 -18.029 128 HA THR 16 HA THR 16 16.311 -0.761 -20.217 129 HB THR 16 HB THR 16 14.421 1.574 -20.447 130 HG1 THR 16 HG1 THR 16 12.814 0.094 -19.658 131 HG21 THR 16 3HG2 THR 16 13.229 -0.057 -21.940 132 HG22 THR 16 1HG2 THR 16 14.618 -1.129 -21.773 133 HG23 THR 16 2HG2 THR 16 14.812 0.455 -22.524 134 H ARG 17 H ARG 17 16.221 2.798 -19.949 135 HA ARG 17 HA ARG 17 17.460 3.295 -22.424 136 HB2 ARG 17 2HB ARG 17 16.704 4.846 -20.056 137 HB3 ARG 17 3HB ARG 17 18.126 5.472 -20.878 138 HG2 ARG 17 2HG ARG 17 16.601 6.589 -22.088 139 HG3 ARG 17 3HG ARG 17 16.505 5.074 -22.987 140 HD2 ARG 17 2HD ARG 17 14.471 4.534 -22.127 141 HD3 ARG 17 3HD ARG 17 14.794 5.325 -20.585 142 HE ARG 17 HE ARG 17 13.780 7.195 -21.401 143 HH11 ARG 17 1HH1 ARG 17 14.769 5.210 -24.084 144 HH12 ARG 17 2HH1 ARG 17 14.017 6.218 -25.276 145 HH21 ARG 17 1HH2 ARG 17 12.786 8.531 -22.960 146 HH22 ARG 17 2HH2 ARG 17 12.891 8.108 -24.635 147 H CYS 18 H CYS 18 18.748 2.628 -19.243 148 HA CYS 18 HA CYS 18 21.414 3.453 -19.776 149 HB2 CYS 18 2HB CYS 18 20.829 3.302 -17.496 150 HB3 CYS 18 3HB CYS 18 20.163 1.685 -17.686 151 HG CYS 18 HG CYS 18 22.260 0.606 -16.685 152 H GLN 19 H GLN 19 19.669 0.422 -20.138 153 HA GLN 19 HA GLN 19 21.982 -1.139 -20.755 154 HB2 GLN 19 2HB GLN 19 19.043 -1.658 -21.232 155 HB3 GLN 19 3HB GLN 19 20.317 -2.838 -21.507 156 HG2 GLN 19 2HG GLN 19 20.407 -1.670 -18.845 157 HG3 GLN 19 3HG GLN 19 18.892 -2.503 -19.188 158 HE21 GLN 19 1HE2 GLN 19 18.853 -4.682 -19.263 159 HE22 GLN 19 2HE2 GLN 19 20.228 -5.690 -18.983 160 H ALA 20 H ALA 20 19.451 0.428 -22.676 161 HA ALA 20 HA ALA 20 20.504 -0.469 -25.182 162 HB1 ALA 20 1HB ALA 20 18.702 0.542 -26.147 163 HB2 ALA 20 2HB ALA 20 18.089 0.363 -24.503 164 HB3 ALA 20 3HB ALA 20 18.736 1.914 -25.038 165 H LEU 21 H LEU 21 20.996 2.294 -23.121 166 HA LEU 21 HA LEU 21 22.389 4.088 -23.237 167 HB2 LEU 21 2HB LEU 21 23.947 2.662 -25.358 168 HB3 LEU 21 3HB LEU 21 24.529 3.737 -24.089 169 HG LEU 21 HG LEU 21 23.410 1.541 -22.758 170 HD11 LEU 21 1HD1 LEU 21 23.571 0.462 -25.067 171 HD12 LEU 21 2HD1 LEU 21 24.314 -0.391 -23.714 172 HD13 LEU 21 3HD1 LEU 21 25.319 0.525 -24.837 173 HD21 LEU 21 3HD2 LEU 21 25.986 1.067 -22.483 174 HD22 LEU 21 1HD2 LEU 21 25.233 2.483 -21.747 175 HD23 LEU 21 2HD2 LEU 21 26.128 2.646 -23.259 176 H GLY 22 H GLY 22 20.144 3.727 -25.231 177 HA2 GLY 22 2HA GLY 22 21.057 5.111 -27.597 178 HA3 GLY 22 3HA GLY 22 19.401 4.655 -27.226 179 H GLY 23 H GLY 23 20.042 6.056 -24.493 180 HA2 GLY 23 2HA GLY 23 18.595 8.373 -24.905 181 HA3 GLY 23 3HA GLY 23 19.717 8.136 -23.573 182 H SER 24 H SER 24 22.022 8.593 -24.030 183 HA SER 24 HA SER 24 22.913 9.995 -26.274 184 HB2 SER 24 2HB SER 24 21.413 11.606 -24.335 185 HB3 SER 24 3HB SER 24 23.021 12.242 -24.683 186 HG SER 24 HG SER 24 21.787 13.092 -26.251 187 H GLU 25 H GLU 25 25.088 10.540 -26.131 188 HA GLU 25 HA GLU 25 26.692 9.111 -24.415 189 HB2 GLU 25 2HB GLU 25 28.489 10.823 -25.036 190 HB3 GLU 25 3HB GLU 25 27.715 9.955 -26.354 191 HG2 GLU 25 2HG GLU 25 27.005 11.838 -27.274 192 HG3 GLU 25 3HG GLU 25 26.285 12.378 -25.759 193 H ALA 26 H ALA 26 25.418 12.367 -24.014 194 HA ALA 26 HA ALA 26 26.871 12.778 -21.539 195 HB1 ALA 26 1HB ALA 26 26.469 14.637 -23.117 196 HB2 ALA 26 2HB ALA 26 24.740 14.502 -22.795 197 HB3 ALA 26 3HB ALA 26 25.845 14.959 -21.499 198 H GLU 27 H GLU 27 23.587 12.046 -22.585 199 HA GLU 27 HA GLU 27 22.177 12.436 -20.249 200 HB2 GLU 27 2HB GLU 27 21.872 10.696 -22.617 201 HB3 GLU 27 3HB GLU 27 20.980 10.192 -21.189 202 HG2 GLU 27 2HG GLU 27 20.799 12.876 -22.538 203 HG3 GLU 27 3HG GLU 27 19.609 11.578 -22.628 204 H CYS 28 H CYS 28 24.330 9.808 -21.110 205 HA CYS 28 HA CYS 28 23.686 7.905 -19.224 206 HB2 CYS 28 2HB CYS 28 26.491 8.659 -20.066 207 HB3 CYS 28 3HB CYS 28 25.974 7.109 -19.416 208 HG CYS 28 HG CYS 28 24.044 7.297 -21.862 209 H ALA 29 H ALA 29 25.781 10.739 -18.841 210 HA ALA 29 HA ALA 29 26.698 10.269 -16.262 211 HB1 ALA 29 1HB ALA 29 27.601 12.039 -17.644 212 HB2 ALA 29 2HB ALA 29 26.068 12.909 -17.576 213 HB3 ALA 29 3HB ALA 29 27.031 12.704 -16.113 214 H ALA 30 H ALA 30 23.857 12.193 -17.242 215 HA ALA 30 HA ALA 30 22.926 12.807 -14.693 216 HB1 ALA 30 1HB ALA 30 21.112 13.685 -15.729 217 HB2 ALA 30 2HB ALA 30 22.135 13.484 -17.152 218 HB3 ALA 30 3HB ALA 30 20.895 12.286 -16.780 219 H PHE 31 H PHE 31 22.512 9.907 -16.625 220 HA PHE 31 HA PHE 31 20.450 8.723 -15.109 221 HB2 PHE 31 2HB PHE 31 22.298 7.900 -17.224 222 HB3 PHE 31 3HB PHE 31 21.892 6.597 -16.113 223 HD1 PHE 31 HD1 PHE 31 19.674 9.392 -17.063 224 HD2 PHE 31 HD2 PHE 31 20.578 5.260 -17.538 225 HE1 PHE 31 HE1 PHE 31 17.538 9.063 -18.238 226 HE2 PHE 31 HE2 PHE 31 18.444 4.925 -18.714 227 HZ PHE 31 HZ PHE 31 16.921 6.827 -19.066 228 H GLU 32 H GLU 32 23.980 8.273 -15.003 229 HA GLU 32 HA GLU 32 24.055 6.421 -12.919 230 HB2 GLU 32 2HB GLU 32 26.006 6.881 -14.286 231 HB3 GLU 32 3HB GLU 32 26.074 8.534 -13.689 232 HG2 GLU 32 2HG GLU 32 26.119 6.725 -11.478 233 HG3 GLU 32 3HG GLU 32 27.351 6.260 -12.650 234 H LYS 33 H LYS 33 24.279 9.966 -12.799 235 HA LYS 33 HA LYS 33 24.601 10.229 -10.037 236 HB2 LYS 33 2HB LYS 33 24.348 11.952 -12.210 237 HB3 LYS 33 3HB LYS 33 22.978 12.352 -11.183 238 HG2 LYS 33 2HG LYS 33 24.434 13.704 -10.158 239 HG3 LYS 33 3HG LYS 33 24.972 12.228 -9.353 240 HD2 LYS 33 2HD LYS 33 26.999 12.766 -10.149 241 HD3 LYS 33 3HD LYS 33 26.390 12.152 -11.688 242 HE2 LYS 33 2HE LYS 33 26.096 15.020 -10.821 243 HE3 LYS 33 3HE LYS 33 27.469 14.432 -11.758 244 HZ1 LYS 33 3HZ LYS 33 24.748 13.887 -12.718 245 HZ2 LYS 33 1HZ LYS 33 26.180 14.079 -13.599 246 HZ3 LYS 33 2HZ LYS 33 25.402 15.431 -12.946 247 H GLU 34 H GLU 34 21.616 10.358 -11.976 248 HA GLU 34 HA GLU 34 19.791 10.780 -9.949 249 HB2 GLU 34 2HB GLU 34 19.711 9.946 -12.681 250 HB3 GLU 34 3HB GLU 34 18.627 8.919 -11.753 251 HG2 GLU 34 2HG GLU 34 17.675 11.075 -10.790 252 HG3 GLU 34 3HG GLU 34 18.548 11.896 -12.082 253 H ILE 35 H ILE 35 21.002 7.667 -11.168 254 HA ILE 35 HA ILE 35 19.519 6.011 -9.471 255 HB ILE 35 HB ILE 35 22.242 5.551 -10.691 256 HG12 ILE 35 2HG1 ILE 35 20.341 5.929 -12.266 257 HG13 ILE 35 3HG1 ILE 35 21.053 4.325 -12.400 258 HG21 ILE 35 1HG2 ILE 35 21.342 3.079 -10.349 259 HG22 ILE 35 2HG2 ILE 35 22.276 3.915 -9.110 260 HG23 ILE 35 3HG2 ILE 35 20.518 3.840 -8.988 261 HD11 ILE 35 3HD1 ILE 35 19.097 3.378 -12.009 262 HD12 ILE 35 1HD1 ILE 35 18.906 4.282 -10.507 263 HD13 ILE 35 2HD1 ILE 35 18.363 4.981 -12.033 264 H ALA 36 H ALA 36 22.730 7.453 -9.045 265 HA ALA 36 HA ALA 36 23.459 6.236 -6.661 266 HB1 ALA 36 1HB ALA 36 24.853 7.754 -8.135 267 HB2 ALA 36 2HB ALA 36 24.081 9.106 -7.306 268 HB3 ALA 36 3HB ALA 36 25.054 7.952 -6.394 269 H ALA 37 H ALA 37 21.672 9.278 -7.133 270 HA ALA 37 HA ALA 37 21.298 9.799 -4.375 271 HB1 ALA 37 1HB ALA 37 20.046 10.834 -6.886 272 HB2 ALA 37 2HB ALA 37 19.385 11.275 -5.311 273 HB3 ALA 37 3HB ALA 37 21.056 11.675 -5.709 274 H PHE 38 H PHE 38 19.495 7.953 -6.743 275 HA PHE 38 HA PHE 38 17.073 7.701 -5.352 276 HB2 PHE 38 2HB PHE 38 18.197 6.683 -7.734 277 HB3 PHE 38 3HB PHE 38 17.678 5.287 -6.795 278 HD1 PHE 38 HD1 PHE 38 16.200 8.690 -7.084 279 HD2 PHE 38 HD2 PHE 38 15.741 4.517 -7.785 280 HE1 PHE 38 HE1 PHE 38 13.879 9.070 -7.809 281 HE2 PHE 38 HE2 PHE 38 13.420 4.890 -8.512 282 HZ PHE 38 HZ PHE 38 12.487 7.169 -8.525 283 H GLU 39 H GLU 39 19.852 5.470 -5.477 284 HA GLU 39 HA GLU 39 18.828 3.679 -3.546 285 HB2 GLU 39 2HB GLU 39 21.126 2.787 -3.454 286 HB3 GLU 39 3HB GLU 39 20.558 2.992 -5.105 287 HG2 GLU 39 2HG GLU 39 21.811 5.110 -5.241 288 HG3 GLU 39 3HG GLU 39 22.433 4.816 -3.618 289 H SER 40 H SER 40 20.928 6.502 -3.324 290 HA SER 40 HA SER 40 21.611 6.171 -0.591 291 HB2 SER 40 2HB SER 40 22.771 8.143 -0.805 292 HB3 SER 40 3HB SER 40 22.603 7.732 -2.512 293 HG SER 40 HG SER 40 21.479 9.786 -1.075 294 H GLU 41 H GLU 41 18.875 7.545 -2.235 295 HA GLU 41 HA GLU 41 17.888 8.944 0.089 296 HB2 GLU 41 2HB GLU 41 16.968 8.541 -2.717 297 HB3 GLU 41 3HB GLU 41 15.766 8.974 -1.510 298 HG2 GLU 41 2HG GLU 41 16.966 10.989 -0.969 299 HG3 GLU 41 3HG GLU 41 18.279 10.536 -2.054 300 H LEU 42 H LEU 42 17.315 5.888 -1.539 301 HA LEU 42 HA LEU 42 15.005 5.207 0.013 302 HB2 LEU 42 2HB LEU 42 16.815 3.595 -1.771 303 HB3 LEU 42 3HB LEU 42 15.409 2.917 -0.953 304 HG LEU 42 HG LEU 42 15.119 5.269 -2.786 305 HD11 LEU 42 1HD1 LEU 42 15.914 2.576 -3.523 306 HD12 LEU 42 2HD1 LEU 42 15.846 4.044 -4.497 307 HD13 LEU 42 3HD1 LEU 42 14.396 3.065 -4.275 308 HD21 LEU 42 3HD2 LEU 42 13.376 3.300 -1.446 309 HD22 LEU 42 1HD2 LEU 42 12.933 3.742 -3.095 310 HD23 LEU 42 2HD2 LEU 42 13.079 4.990 -1.857 311 H GLN 43 H GLN 43 18.451 4.716 0.287 312 HA GLN 43 HA GLN 43 18.305 2.710 2.317 313 HB2 GLN 43 2HB GLN 43 20.647 2.840 2.420 314 HB3 GLN 43 3HB GLN 43 20.265 3.198 0.741 315 HG2 GLN 43 2HG GLN 43 21.599 4.957 0.992 316 HG3 GLN 43 3HG GLN 43 20.257 5.682 1.877 317 HE21 GLN 43 1HE2 GLN 43 22.813 3.305 2.542 318 HE22 GLN 43 2HE2 GLN 43 23.314 4.010 4.038 319 H ALA 44 H ALA 44 18.047 6.132 2.275 320 HA ALA 44 HA ALA 44 18.819 6.557 5.010 321 HB1 ALA 44 1HB ALA 44 18.848 8.238 3.039 322 HB2 ALA 44 2HB ALA 44 17.149 8.483 3.446 323 HB3 ALA 44 3HB ALA 44 18.399 8.804 4.648 324 H TYR 45 H TYR 45 15.960 5.576 3.380 325 HA TYR 45 HA TYR 45 13.925 6.503 4.993 326 HB2 TYR 45 2HB TYR 45 14.303 4.037 3.356 327 HB3 TYR 45 3HB TYR 45 12.916 4.115 4.436 328 HD1 TYR 45 HD1 TYR 45 14.457 6.892 2.505 329 HD2 TYR 45 HD2 TYR 45 11.115 4.296 2.948 330 HE1 TYR 45 HE1 TYR 45 13.227 8.198 0.822 331 HE2 TYR 45 HE2 TYR 45 9.876 5.594 1.266 332 HH TYR 45 HH TYR 45 10.117 7.148 -0.405 333 H LYS 46 H LYS 46 15.531 3.335 5.344 334 HA LYS 46 HA LYS 46 15.938 3.506 8.103 335 HB2 LYS 46 2HB LYS 46 13.258 3.226 7.604 336 HB3 LYS 46 3HB LYS 46 13.760 1.554 7.819 337 HG2 LYS 46 2HG LYS 46 14.281 1.844 10.020 338 HG3 LYS 46 3HG LYS 46 14.663 3.556 9.819 339 HD2 LYS 46 2HD LYS 46 12.633 3.372 11.087 340 HD3 LYS 46 3HD LYS 46 12.234 3.993 9.484 341 HE2 LYS 46 2HE LYS 46 11.006 2.187 8.964 342 HE3 LYS 46 3HE LYS 46 12.165 1.073 9.689 343 HZ1 LYS 46 3HZ LYS 46 10.488 0.808 11.154 344 HZ2 LYS 46 1HZ LYS 46 9.818 2.334 10.862 345 HZ3 LYS 46 2HZ LYS 46 11.167 2.182 11.871 346 H GLY 47 H GLY 47 14.725 1.038 5.819 347 HA2 GLY 47 2HA GLY 47 15.955 -0.719 4.879 348 HA3 GLY 47 3HA GLY 47 17.289 -0.332 5.955 349 H LYS 48 H LYS 48 16.416 -0.565 8.413 350 HA LYS 48 HA LYS 48 16.319 -3.271 8.946 351 HB2 LYS 48 2HB LYS 48 15.710 -0.814 10.503 352 HB3 LYS 48 3HB LYS 48 15.149 -2.342 11.170 353 HG2 LYS 48 2HG LYS 48 17.356 -3.202 11.285 354 HG3 LYS 48 3HG LYS 48 17.996 -1.862 10.331 355 HD2 LYS 48 2HD LYS 48 18.171 -0.536 12.126 356 HD3 LYS 48 3HD LYS 48 16.567 -0.981 12.714 357 HE2 LYS 48 2HE LYS 48 17.380 -2.833 13.878 358 HE3 LYS 48 3HE LYS 48 18.883 -2.870 12.957 359 HZ1 LYS 48 3HZ LYS 48 19.171 -0.524 14.062 360 HZ2 LYS 48 1HZ LYS 48 19.608 -1.937 14.884 361 HZ3 LYS 48 2HZ LYS 48 18.134 -1.180 15.226 362 H GLY 49 H GLY 49 13.551 -1.169 9.719 363 HA2 GLY 49 2HA GLY 49 11.723 -3.367 9.565 364 HA3 GLY 49 3HA GLY 49 11.304 -1.680 9.820 365 H ASN 50 H ASN 50 12.989 -1.198 7.253 366 HA ASN 50 HA ASN 50 10.799 -1.847 5.393 367 HB2 ASN 50 2HB ASN 50 12.722 0.489 5.349 368 HB3 ASN 50 3HB ASN 50 11.518 0.153 4.108 369 HD21 ASN 50 1HD2 ASN 50 11.143 2.487 4.947 370 HD22 ASN 50 2HD2 ASN 50 9.917 2.635 6.155 371 HA PRO 51 HA PRO 51 14.557 -4.160 3.954 372 HB2 PRO 51 2HB PRO 51 13.215 -6.454 3.398 373 HB3 PRO 51 3HB PRO 51 13.859 -6.083 5.001 374 HG2 PRO 51 2HG PRO 51 11.065 -5.788 3.967 375 HG3 PRO 51 3HG PRO 51 11.619 -6.415 5.531 376 HD2 PRO 51 2HD PRO 51 10.669 -3.898 5.224 377 HD3 PRO 51 3HD PRO 51 11.926 -4.306 6.409 378 H GLU 52 H GLU 52 11.479 -3.312 2.672 379 HA GLU 52 HA GLU 52 11.539 -4.378 0.117 380 HB2 GLU 52 2HB GLU 52 10.042 -2.596 -0.533 381 HB3 GLU 52 3HB GLU 52 9.633 -3.127 1.093 382 HG2 GLU 52 2HG GLU 52 11.078 -1.187 1.902 383 HG3 GLU 52 3HG GLU 52 11.004 -0.603 0.241 384 H VAL 53 H VAL 53 13.247 -1.607 1.426 385 HA VAL 53 HA VAL 53 14.112 -0.421 -0.950 386 HB VAL 53 HB VAL 53 15.568 -0.562 1.694 387 HG11 VAL 53 1HG1 VAL 53 17.193 0.167 0.216 388 HG12 VAL 53 2HG1 VAL 53 16.031 1.020 -0.802 389 HG13 VAL 53 3HG1 VAL 53 16.481 1.683 0.770 390 HG21 VAL 53 3HG2 VAL 53 13.896 0.708 2.441 391 HG22 VAL 53 1HG2 VAL 53 14.465 1.967 1.344 392 HG23 VAL 53 2HG2 VAL 53 13.199 0.853 0.828 393 H GLU 54 H GLU 54 15.047 -3.376 0.537 394 HA GLU 54 HA GLU 54 17.654 -3.744 -0.257 395 HB2 GLU 54 2HB GLU 54 15.355 -5.682 -0.086 396 HB3 GLU 54 3HB GLU 54 16.980 -6.205 -0.507 397 HG2 GLU 54 2HG GLU 54 16.580 -4.586 1.957 398 HG3 GLU 54 3HG GLU 54 16.133 -6.291 1.965 399 H ALA 55 H ALA 55 14.769 -4.680 -2.137 400 HA ALA 55 HA ALA 55 16.021 -5.530 -4.442 401 HB1 ALA 55 1HB ALA 55 13.400 -5.049 -3.647 402 HB2 ALA 55 2HB ALA 55 13.625 -4.049 -5.083 403 HB3 ALA 55 3HB ALA 55 13.932 -5.785 -5.159 404 H LEU 56 H LEU 56 14.880 -2.235 -3.709 405 HA LEU 56 HA LEU 56 15.679 -1.013 -6.076 406 HB2 LEU 56 2HB LEU 56 15.734 0.250 -3.343 407 HB3 LEU 56 3HB LEU 56 15.566 1.073 -4.892 408 HG LEU 56 HG LEU 56 13.498 -0.904 -4.016 409 HD11 LEU 56 1HD1 LEU 56 14.182 1.432 -2.559 410 HD12 LEU 56 2HD1 LEU 56 12.827 0.333 -2.307 411 HD13 LEU 56 3HD1 LEU 56 12.647 1.723 -3.377 412 HD21 LEU 56 3HD2 LEU 56 13.154 1.657 -5.543 413 HD22 LEU 56 1HD2 LEU 56 12.102 0.242 -5.502 414 HD23 LEU 56 2HD2 LEU 56 13.654 0.162 -6.336 415 H ARG 57 H ARG 57 17.498 -1.596 -3.099 416 HA ARG 57 HA ARG 57 19.809 -0.158 -3.773 417 HB2 ARG 57 2HB ARG 57 19.139 -2.329 -1.858 418 HB3 ARG 57 3HB ARG 57 20.842 -2.079 -2.219 419 HG2 ARG 57 2HG ARG 57 20.651 0.256 -1.537 420 HG3 ARG 57 3HG ARG 57 18.939 0.013 -1.185 421 HD2 ARG 57 2HD ARG 57 20.299 -0.087 0.847 422 HD3 ARG 57 3HD ARG 57 19.505 -1.627 0.521 423 HE ARG 57 HE ARG 57 22.112 -1.580 -0.593 424 HH11 ARG 57 1HH1 ARG 57 20.410 -1.881 2.429 425 HH12 ARG 57 2HH1 ARG 57 21.658 -2.812 3.189 426 HH21 ARG 57 1HH2 ARG 57 23.762 -2.805 0.397 427 HH22 ARG 57 2HH2 ARG 57 23.565 -3.336 2.033 428 H LYS 58 H LYS 58 18.953 -3.558 -4.312 429 HA LYS 58 HA LYS 58 21.382 -4.358 -5.468 430 HB2 LYS 58 2HB LYS 58 19.549 -5.874 -4.662 431 HB3 LYS 58 3HB LYS 58 18.641 -5.456 -6.109 432 HG2 LYS 58 2HG LYS 58 19.969 -6.696 -7.472 433 HG3 LYS 58 3HG LYS 58 21.404 -6.466 -6.471 434 HD2 LYS 58 2HD LYS 58 19.112 -8.068 -5.418 435 HD3 LYS 58 3HD LYS 58 20.228 -8.799 -6.574 436 HE2 LYS 58 2HE LYS 58 22.083 -7.970 -5.013 437 HE3 LYS 58 3HE LYS 58 20.800 -7.726 -3.828 438 HZ1 LYS 58 3HZ LYS 58 21.581 -10.284 -5.112 439 HZ2 LYS 58 1HZ LYS 58 20.206 -10.098 -4.144 440 HZ3 LYS 58 2HZ LYS 58 21.745 -9.868 -3.481 441 H GLU 59 H GLU 59 18.315 -3.530 -7.096 442 HA GLU 59 HA GLU 59 19.243 -3.612 -9.706 443 HB2 GLU 59 2HB GLU 59 16.999 -2.218 -8.331 444 HB3 GLU 59 3HB GLU 59 17.395 -1.711 -9.967 445 HG2 GLU 59 2HG GLU 59 17.326 -4.339 -10.370 446 HG3 GLU 59 3HG GLU 59 16.229 -4.247 -8.993 447 H ALA 60 H ALA 60 19.010 -0.769 -7.570 448 HA ALA 60 HA ALA 60 20.040 1.152 -9.256 449 HB1 ALA 60 1HB ALA 60 20.891 2.239 -7.112 450 HB2 ALA 60 2HB ALA 60 19.165 1.888 -7.209 451 HB3 ALA 60 3HB ALA 60 20.228 0.835 -6.276 452 H ALA 61 H ALA 61 21.872 -0.891 -6.981 453 HA ALA 61 HA ALA 61 24.419 0.049 -7.550 454 HB1 ALA 61 1HB ALA 61 23.672 -1.591 -5.740 455 HB2 ALA 61 2HB ALA 61 23.873 -2.844 -6.966 456 HB3 ALA 61 3HB ALA 61 25.252 -1.858 -6.479 457 H ALA 62 H ALA 62 22.594 -2.550 -9.135 458 HA ALA 62 HA ALA 62 24.585 -3.414 -10.894 459 HB1 ALA 62 1HB ALA 62 22.994 -4.879 -11.379 460 HB2 ALA 62 2HB ALA 62 21.823 -3.915 -10.478 461 HB3 ALA 62 3HB ALA 62 22.073 -3.618 -12.199 462 H ILE 63 H ILE 63 22.083 -0.928 -11.320 463 HA ILE 63 HA ILE 63 22.682 -0.264 -13.976 464 HB ILE 63 HB ILE 63 21.577 1.534 -11.815 465 HG12 ILE 63 2HG1 ILE 63 19.778 0.433 -13.863 466 HG13 ILE 63 3HG1 ILE 63 20.468 -0.777 -12.786 467 HG21 ILE 63 1HG2 ILE 63 20.625 2.813 -13.701 468 HG22 ILE 63 2HG2 ILE 63 22.388 2.832 -13.682 469 HG23 ILE 63 3HG2 ILE 63 21.530 1.792 -14.819 470 HD11 ILE 63 3HD1 ILE 63 19.605 1.390 -11.192 471 HD12 ILE 63 1HD1 ILE 63 18.308 0.997 -12.319 472 HD13 ILE 63 2HD1 ILE 63 18.964 -0.252 -11.260 473 H ARG 64 H ARG 64 23.920 1.045 -10.924 474 HA ARG 64 HA ARG 64 25.474 3.112 -11.995 475 HB2 ARG 64 2HB ARG 64 25.013 3.011 -9.626 476 HB3 ARG 64 3HB ARG 64 25.856 1.474 -9.486 477 HG2 ARG 64 2HG ARG 64 27.184 3.338 -8.626 478 HG3 ARG 64 3HG ARG 64 27.964 2.549 -9.998 479 HD2 ARG 64 2HD ARG 64 27.232 4.310 -11.479 480 HD3 ARG 64 3HD ARG 64 26.311 5.064 -10.178 481 HE ARG 64 HE ARG 64 29.088 5.370 -10.696 482 HH11 ARG 64 1HH1 ARG 64 26.751 5.189 -8.122 483 HH12 ARG 64 2HH1 ARG 64 27.698 6.131 -7.019 484 HH21 ARG 64 1HH2 ARG 64 30.345 6.612 -9.253 485 HH22 ARG 64 2HH2 ARG 64 29.742 6.941 -7.664 486 H ASP 65 H ASP 65 26.325 -0.254 -11.249 487 HA ASP 65 HA ASP 65 29.032 -0.110 -11.954 488 HB2 ASP 65 2HB ASP 65 27.131 -2.460 -12.094 489 HB3 ASP 65 3HB ASP 65 28.884 -2.577 -12.218 490 H GLU 66 H GLU 66 26.175 -0.908 -13.895 491 HA GLU 66 HA GLU 66 27.527 -1.562 -16.267 492 HB2 GLU 66 2HB GLU 66 24.776 -0.340 -15.991 493 HB3 GLU 66 3HB GLU 66 25.389 -1.219 -17.385 494 HG2 GLU 66 2HG GLU 66 25.056 -3.230 -16.438 495 HG3 GLU 66 3HG GLU 66 25.488 -2.664 -14.825 496 H CYS 67 H CYS 67 26.199 1.520 -15.118 497 HA CYS 67 HA CYS 67 26.760 3.044 -17.395 498 HB2 CYS 67 2HB CYS 67 26.573 3.834 -14.485 499 HB3 CYS 67 3HB CYS 67 26.723 4.997 -15.797 500 HG CYS 67 HG CYS 67 24.019 4.285 -14.567 501 H GLN 68 H GLN 68 28.733 2.318 -14.553 502 HA GLN 68 HA GLN 68 30.893 4.013 -15.215 503 HB2 GLN 68 2HB GLN 68 30.872 1.485 -13.556 504 HB3 GLN 68 3HB GLN 68 32.179 2.661 -13.599 505 HG2 GLN 68 2HG GLN 68 29.511 3.722 -12.944 506 HG3 GLN 68 3HG GLN 68 30.238 2.648 -11.750 507 HE21 GLN 68 1HE2 GLN 68 30.177 5.771 -13.059 508 HE22 GLN 68 2HE2 GLN 68 31.492 6.437 -12.159 509 H ALA 69 H ALA 69 30.185 0.635 -15.958 510 HA ALA 69 HA ALA 69 32.683 0.059 -17.175 511 HB1 ALA 69 1HB ALA 69 30.085 -1.278 -16.886 512 HB2 ALA 69 2HB ALA 69 30.996 -1.720 -18.330 513 HB3 ALA 69 3HB ALA 69 31.720 -1.922 -16.735 514 H TYR 70 H TYR 70 29.575 1.189 -18.420 515 HA TYR 70 HA TYR 70 30.155 0.987 -21.156 516 HB2 TYR 70 2HB TYR 70 28.336 2.924 -19.710 517 HB3 TYR 70 3HB TYR 70 28.347 2.667 -21.451 518 HD1 TYR 70 HD1 TYR 70 28.756 -0.369 -21.326 519 HD2 TYR 70 HD2 TYR 70 26.089 2.253 -19.297 520 HE1 TYR 70 HE1 TYR 70 27.150 -2.213 -21.065 521 HE2 TYR 70 HE2 TYR 70 24.476 0.415 -19.029 522 HH TYR 70 HH TYR 70 24.151 -1.984 -20.574 523 H ARG 71 H ARG 71 31.383 3.089 -18.778 524 HA ARG 71 HA ARG 71 32.014 5.274 -20.542 525 HB2 ARG 71 2HB ARG 71 31.721 5.150 -17.882 526 HB3 ARG 71 3HB ARG 71 33.464 4.939 -17.972 527 HG2 ARG 71 2HG ARG 71 33.327 7.208 -17.784 528 HG3 ARG 71 3HG ARG 71 33.321 7.035 -19.540 529 HD2 ARG 71 2HD ARG 71 31.228 7.813 -19.722 530 HD3 ARG 71 3HD ARG 71 30.664 6.873 -18.341 531 HE ARG 71 HE ARG 71 31.426 9.618 -18.344 532 HH11 ARG 71 1HH1 ARG 71 31.379 6.732 -16.398 533 HH12 ARG 71 2HH1 ARG 71 31.347 7.590 -14.893 534 HH21 ARG 71 1HH2 ARG 71 31.384 10.760 -16.370 535 HH22 ARG 71 2HH2 ARG 71 31.349 9.881 -14.878 536 H HIS 72 H HIS 72 32.965 2.612 -21.301 537 HA HIS 72 HA HIS 72 34.797 1.689 -22.288 538 HB2 HIS 72 2HB HIS 72 35.074 4.098 -23.078 539 HB3 HIS 72 3HB HIS 72 36.247 4.285 -21.778 540 HD1 HIS 72 HD1 HIS 72 35.778 1.550 -24.392 541 HD2 HIS 72 HD2 HIS 72 38.689 4.116 -22.907 542 HE1 HIS 72 HE1 HIS 72 37.883 0.975 -25.643 543 H ASN 73 H ASN 73 34.375 1.694 -19.339 544 HA ASN 73 HA ASN 73 36.817 1.868 -17.970 545 HB2 ASN 73 2HB ASN 73 34.217 1.336 -17.265 546 HB3 ASN 73 3HB ASN 73 34.995 -0.221 -17.001 547 HD21 ASN 73 1HD2 ASN 73 35.397 3.228 -16.323 548 HD22 ASN 73 2HD2 ASN 73 36.097 3.016 -14.758
Contact the webmaster for help, if required. Friday, May 17, 2024 12:22:08 AM GMT (wattos1)