NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
499288 | 2l4a | 17234 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1HT MET 1 14.308 -13.503 -11.911 2 H2 MET 1 2HT MET 1 13.819 -11.895 -11.650 3 H3 MET 1 3HT MET 1 14.114 -12.923 -10.329 4 HA MET 1 HA MET 1 16.480 -13.109 -11.348 5 HB2 MET 1 2HB MET 1 16.793 -11.771 -13.154 6 HB3 MET 1 1HB MET 1 15.067 -11.455 -13.124 7 HG2 MET 1 2HG MET 1 16.055 -9.307 -13.082 8 HG3 MET 1 1HG MET 1 15.572 -9.615 -11.421 9 HE1 MET 1 2HE MET 1 19.702 -11.288 -11.654 10 HE2 MET 1 3HE MET 1 18.624 -11.495 -13.033 11 HE3 MET 1 1HE MET 1 18.120 -12.019 -11.423 12 H VAL 2 H VAL 2 14.269 -10.846 -9.765 13 HA VAL 2 HA VAL 2 15.967 -10.689 -7.423 14 HB VAL 2 HB VAL 2 17.002 -9.232 -9.353 15 HG11 VAL 2 1HG1 VAL 2 14.517 -8.046 -9.269 16 HG12 VAL 2 2HG1 VAL 2 15.970 -7.294 -9.930 17 HG13 VAL 2 3HG1 VAL 2 15.482 -6.959 -8.268 18 HG21 VAL 2 3HG2 VAL 2 16.975 -7.461 -7.085 19 HG22 VAL 2 1HG2 VAL 2 18.254 -8.553 -7.616 20 HG23 VAL 2 2HG2 VAL 2 17.000 -9.131 -6.519 21 H ASP 3 H ASP 3 15.133 -8.296 -6.314 22 HA ASP 3 HA ASP 3 13.320 -7.288 -5.199 23 HB2 ASP 3 2HB ASP 3 12.273 -8.042 -7.907 24 HB3 ASP 3 1HB ASP 3 11.148 -7.409 -6.704 25 H SER 4 H SER 4 11.529 -9.875 -6.872 26 HA SER 4 HA SER 4 10.498 -11.823 -6.000 27 HB2 SER 4 2HB SER 4 12.738 -11.453 -4.489 28 HB3 SER 4 1HB SER 4 11.487 -11.333 -3.257 29 HG SER 4 HG SER 4 11.938 -13.448 -5.093 30 H LYS 5 H LYS 5 9.683 -8.759 -5.395 31 HA LYS 5 HA LYS 5 7.803 -9.226 -3.160 32 HB2 LYS 5 2HB LYS 5 8.390 -6.877 -4.991 33 HB3 LYS 5 1HB LYS 5 7.247 -6.815 -3.650 34 HG2 LYS 5 2HG LYS 5 8.921 -6.992 -2.036 35 HG3 LYS 5 1HG LYS 5 10.049 -7.770 -3.149 36 HD2 LYS 5 2HD LYS 5 9.189 -5.029 -3.889 37 HD3 LYS 5 1HD LYS 5 10.224 -5.150 -2.462 38 HE2 LYS 5 2HE LYS 5 11.884 -6.438 -3.772 39 HE3 LYS 5 1HE LYS 5 10.851 -6.301 -5.209 40 HZ1 LYS 5 3HZ LYS 5 12.636 -4.523 -4.881 41 HZ2 LYS 5 1HZ LYS 5 11.644 -3.921 -3.645 42 HZ3 LYS 5 2HZ LYS 5 11.063 -3.994 -5.240 43 H LYS 6 H LYS 6 7.475 -10.829 -5.605 44 HA LYS 6 HA LYS 6 5.527 -9.948 -7.410 45 HB2 LYS 6 2HB LYS 6 6.247 -12.576 -6.157 46 HB3 LYS 6 1HB LYS 6 4.897 -12.485 -7.290 47 HG2 LYS 6 2HG LYS 6 6.255 -12.024 -9.091 48 HG3 LYS 6 1HG LYS 6 7.446 -11.172 -8.109 49 HD2 LYS 6 2HD LYS 6 8.554 -13.114 -7.517 50 HD3 LYS 6 1HD LYS 6 7.102 -14.106 -7.651 51 HE2 LYS 6 2HE LYS 6 8.144 -12.842 -10.159 52 HE3 LYS 6 1HE LYS 6 9.011 -14.248 -9.509 53 HZ1 LYS 6 3HZ LYS 6 7.232 -15.601 -9.781 54 HZ2 LYS 6 1HZ LYS 6 6.853 -14.501 -11.015 55 HZ3 LYS 6 2HZ LYS 6 6.098 -14.367 -9.500 56 H ARG 7 H ARG 7 4.821 -11.936 -4.583 57 HA ARG 7 HA ARG 7 2.812 -12.130 -3.322 58 HB2 ARG 7 2HB ARG 7 2.600 -9.152 -3.821 59 HB3 ARG 7 1HB ARG 7 2.257 -10.042 -2.337 60 HG2 ARG 7 2HG ARG 7 4.956 -9.425 -3.541 61 HG3 ARG 7 1HG ARG 7 4.346 -8.954 -1.957 62 HD2 ARG 7 2HD ARG 7 4.117 -11.619 -1.684 63 HD3 ARG 7 1HD ARG 7 5.446 -11.583 -2.857 64 HE ARG 7 HE ARG 7 5.523 -10.058 -0.277 65 HH11 ARG 7 1HH1 ARG 7 6.765 -12.761 -1.730 66 HH12 ARG 7 2HH1 ARG 7 8.434 -12.334 -1.557 67 HH21 ARG 7 1HH2 ARG 7 7.770 -9.090 -0.529 68 HH22 ARG 7 2HH2 ARG 7 9.003 -10.254 -0.883 69 HA PRO 8 HA PRO 8 -0.702 -11.859 -5.989 70 HB2 PRO 8 2HB PRO 8 -2.546 -9.982 -5.232 71 HB3 PRO 8 1HB PRO 8 -2.291 -11.506 -4.360 72 HG2 PRO 8 2HG PRO 8 -1.404 -8.767 -3.679 73 HG3 PRO 8 1HG PRO 8 -1.865 -10.106 -2.620 74 HD2 PRO 8 2HD PRO 8 0.723 -9.307 -3.155 75 HD3 PRO 8 1HD PRO 8 0.261 -10.899 -2.515 76 H GLY 9 H GLY 9 1.313 -10.620 -7.192 77 HA2 GLY 9 2HA GLY 9 0.977 -7.925 -8.034 78 HA3 GLY 9 1HA GLY 9 1.871 -9.151 -8.932 79 H LYS 10 H LYS 10 -0.023 -10.959 -9.655 80 HA LYS 10 HA LYS 10 -1.266 -9.970 -11.926 81 HB2 LYS 10 2HB LYS 10 -1.317 -12.275 -11.752 82 HB3 LYS 10 1HB LYS 10 -1.675 -12.228 -10.030 83 HG2 LYS 10 2HG LYS 10 -4.010 -11.448 -10.634 84 HG3 LYS 10 1HG LYS 10 -3.610 -11.790 -12.320 85 HD2 LYS 10 2HD LYS 10 -2.976 -14.135 -11.585 86 HD3 LYS 10 1HD LYS 10 -3.674 -13.750 -10.012 87 HE2 LYS 10 2HE LYS 10 -5.840 -13.779 -10.816 88 HE3 LYS 10 1HE LYS 10 -5.359 -13.212 -12.427 89 HZ1 LYS 10 3HZ LYS 10 -4.286 -15.779 -11.539 90 HZ2 LYS 10 1HZ LYS 10 -4.761 -15.285 -13.090 91 HZ3 LYS 10 2HZ LYS 10 -5.934 -15.745 -11.950 92 H ASP 11 H ASP 11 -2.220 -9.619 -8.646 93 HA ASP 11 HA ASP 11 -4.388 -7.759 -9.446 94 HB2 ASP 11 2HB ASP 11 -4.609 -10.378 -8.067 95 HB3 ASP 11 1HB ASP 11 -5.540 -9.066 -7.343 96 H LEU 12 H LEU 12 -2.437 -6.426 -8.707 97 HA LEU 12 HA LEU 12 -2.546 -6.046 -5.733 98 HB2 LEU 12 2HB LEU 12 -0.450 -6.902 -7.446 99 HB3 LEU 12 1HB LEU 12 -0.035 -5.274 -6.905 100 HG LEU 12 HG LEU 12 -0.656 -7.687 -5.185 101 HD11 LEU 12 1HD1 LEU 12 1.689 -5.988 -4.657 102 HD12 LEU 12 2HD1 LEU 12 1.718 -6.773 -6.236 103 HD13 LEU 12 3HD1 LEU 12 1.575 -7.744 -4.770 104 HD21 LEU 12 3HD2 LEU 12 0.117 -5.398 -3.656 105 HD22 LEU 12 1HD2 LEU 12 -1.388 -6.311 -3.563 106 HD23 LEU 12 2HD2 LEU 12 -1.255 -4.944 -4.668 107 H ASP 13 H ASP 13 -2.960 -3.930 -5.148 108 HA ASP 13 HA ASP 13 -3.512 -1.922 -7.162 109 HB2 ASP 13 2HB ASP 13 -3.833 -2.371 -4.328 110 HB3 ASP 13 1HB ASP 13 -3.203 -0.746 -4.602 111 H ARG 14 H ARG 14 -2.263 -0.232 -7.839 112 HA ARG 14 HA ARG 14 0.487 -0.370 -7.976 113 HB2 ARG 14 2HB ARG 14 -1.259 2.106 -7.788 114 HB3 ARG 14 1HB ARG 14 0.359 2.058 -8.487 115 HG2 ARG 14 2HG ARG 14 -2.093 0.581 -9.486 116 HG3 ARG 14 1HG ARG 14 -1.248 1.900 -10.296 117 HD2 ARG 14 2HD ARG 14 0.815 0.150 -9.924 118 HD3 ARG 14 1HD ARG 14 -0.541 -0.972 -10.157 119 HE ARG 14 HE ARG 14 -0.762 1.124 -12.083 120 HH11 ARG 14 1HH2 ARG 14 2.223 0.046 -11.739 121 HH12 ARG 14 2HH2 ARG 14 2.290 -0.983 -13.130 122 HH21 ARG 14 1HH1 ARG 14 -1.137 -0.905 -13.676 123 HH22 ARG 14 2HH1 ARG 14 0.384 -1.522 -14.229 124 H ILE 15 H ILE 15 -1.439 0.938 -5.323 125 HA ILE 15 HA ILE 15 0.720 2.238 -3.925 126 HB ILE 15 HB ILE 15 -1.806 1.089 -2.745 127 HG12 ILE 15 2HG1 ILE 15 -2.606 2.221 -4.685 128 HG13 ILE 15 1HG1 ILE 15 -2.742 3.409 -3.390 129 HG21 ILE 15 1HG2 ILE 15 -1.033 2.214 -0.956 130 HG22 ILE 15 2HG2 ILE 15 -1.235 3.707 -1.870 131 HG23 ILE 15 3HG2 ILE 15 0.314 2.857 -1.890 132 HD11 ILE 15 3HD1 ILE 15 -0.193 3.878 -4.241 133 HD12 ILE 15 1HD1 ILE 15 -1.605 4.756 -4.832 134 HD13 ILE 15 2HD1 ILE 15 -0.963 3.395 -5.752 135 H ASP 16 H ASP 16 -0.634 -1.049 -3.718 136 HA ASP 16 HA ASP 16 0.932 -1.760 -1.382 137 HB2 ASP 16 2HB ASP 16 -0.485 -3.400 -3.504 138 HB3 ASP 16 1HB ASP 16 0.080 -4.026 -1.954 139 H ARG 17 H ARG 17 1.235 -2.766 -4.833 140 HA ARG 17 HA ARG 17 3.629 -4.210 -4.512 141 HB2 ARG 17 2HB ARG 17 3.874 -3.858 -6.949 142 HB3 ARG 17 1HB ARG 17 2.221 -4.282 -6.506 143 HG2 ARG 17 2HG ARG 17 1.681 -1.827 -6.462 144 HG3 ARG 17 1HG ARG 17 3.294 -1.518 -7.113 145 HD2 ARG 17 2HD ARG 17 1.837 -3.599 -8.587 146 HD3 ARG 17 1HD ARG 17 1.063 -2.003 -8.662 147 HE ARG 17 HE ARG 17 3.482 -1.179 -9.208 148 HH11 ARG 17 1HH2 ARG 17 1.612 -3.516 -10.738 149 HH12 ARG 17 2HH2 ARG 17 2.862 -4.071 -11.800 150 HH21 ARG 17 1HH1 ARG 17 5.355 -2.208 -10.270 151 HH22 ARG 17 2HH1 ARG 17 4.982 -3.330 -11.536 152 H ASN 18 H ASN 18 3.252 -0.806 -5.355 153 HA ASN 18 HA ASN 18 6.082 -0.276 -5.512 154 HB2 ASN 18 2HB ASN 18 3.533 1.198 -5.482 155 HB3 ASN 18 1HB ASN 18 4.868 2.102 -4.774 156 HD21 ASN 18 1HD2 ASN 18 4.648 3.516 -6.777 157 HD22 ASN 18 2HD2 ASN 18 5.405 3.010 -8.210 158 H ILE 19 H ILE 19 3.733 -0.326 -2.888 159 HA ILE 19 HA ILE 19 5.454 0.881 -0.908 160 HB ILE 19 HB ILE 19 2.926 -0.746 -0.979 161 HG12 ILE 19 2HG1 ILE 19 3.613 1.916 0.302 162 HG13 ILE 19 1HG1 ILE 19 2.979 1.743 -1.335 163 HG21 ILE 19 1HG2 ILE 19 4.787 -0.463 1.320 164 HG22 ILE 19 2HG2 ILE 19 3.583 -1.710 0.995 165 HG23 ILE 19 3HG2 ILE 19 3.084 -0.151 1.654 166 HD11 ILE 19 3HD1 ILE 19 1.010 0.505 -0.352 167 HD12 ILE 19 1HD1 ILE 19 1.110 2.201 0.127 168 HD13 ILE 19 2HD1 ILE 19 1.615 0.936 1.247 169 H LEU 20 H LEU 20 4.831 -2.455 -2.004 170 HA LEU 20 HA LEU 20 6.456 -3.753 0.011 171 HB2 LEU 20 2HB LEU 20 5.446 -4.425 -2.766 172 HB3 LEU 20 1HB LEU 20 6.456 -5.555 -1.863 173 HG LEU 20 HG LEU 20 3.885 -4.361 -0.801 174 HD11 LEU 20 1HD1 LEU 20 3.271 -5.788 -2.626 175 HD12 LEU 20 2HD1 LEU 20 3.048 -6.745 -1.162 176 HD13 LEU 20 3HD1 LEU 20 4.473 -6.995 -2.169 177 HD21 LEU 20 3HD2 LEU 20 4.639 -6.833 0.405 178 HD22 LEU 20 1HD2 LEU 20 4.570 -5.240 1.158 179 HD23 LEU 20 2HD2 LEU 20 6.063 -5.792 0.397 180 H ASN 21 H ASN 21 7.053 -2.447 -3.249 181 HA ASN 21 HA ASN 21 9.783 -3.314 -3.505 182 HB2 ASN 21 2HB ASN 21 8.080 -2.395 -5.226 183 HB3 ASN 21 1HB ASN 21 8.557 -0.798 -4.650 184 HD21 ASN 21 1HD2 ASN 21 9.082 -1.721 -7.346 185 HD22 ASN 21 2HD2 ASN 21 10.766 -1.829 -7.534 186 H GLU 22 H GLU 22 8.217 -0.575 -1.949 187 HA GLU 22 HA GLU 22 10.709 0.872 -1.450 188 HB2 GLU 22 2HB GLU 22 7.807 1.089 -0.677 189 HB3 GLU 22 1HB GLU 22 9.007 2.095 0.134 190 HG2 GLU 22 2HG GLU 22 9.278 3.426 -1.679 191 HG3 GLU 22 1HG GLU 22 9.314 2.050 -2.786 192 H LEU 23 H LEU 23 8.641 -1.417 0.265 193 HA LEU 23 HA LEU 23 9.918 -1.107 2.834 194 HB2 LEU 23 2HB LEU 23 7.976 -2.872 1.477 195 HB3 LEU 23 1HB LEU 23 8.900 -3.669 2.749 196 HG LEU 23 HG LEU 23 6.826 -2.680 3.646 197 HD11 LEU 23 1HD1 LEU 23 8.792 -2.798 5.117 198 HD12 LEU 23 2HD1 LEU 23 7.855 -1.350 5.465 199 HD13 LEU 23 3HD1 LEU 23 9.340 -1.230 4.537 200 HD21 LEU 23 3HD2 LEU 23 7.811 -0.368 2.105 201 HD22 LEU 23 1HD2 LEU 23 7.218 0.034 3.718 202 HD23 LEU 23 2HD2 LEU 23 6.162 -0.793 2.570 203 H GLN 24 H GLN 24 10.387 -3.289 0.064 204 HA GLN 24 HA GLN 24 12.476 -4.881 1.230 205 HB2 GLN 24 2HB GLN 24 11.329 -5.654 -0.721 206 HB3 GLN 24 1HB GLN 24 11.637 -4.148 -1.587 207 HG2 GLN 24 2HG GLN 24 13.132 -6.024 -2.312 208 HG3 GLN 24 1HG GLN 24 14.017 -4.633 -1.685 209 HE21 GLN 24 1HE2 GLN 24 14.031 -7.930 -1.541 210 HE22 GLN 24 2HE2 GLN 24 14.674 -8.152 0.014 211 H LYS 25 H LYS 25 12.457 -1.830 -0.625 212 HA LYS 25 HA LYS 25 15.378 -1.630 -0.638 213 HB2 LYS 25 2HB LYS 25 14.713 -0.303 -2.361 214 HB3 LYS 25 1HB LYS 25 13.041 -0.391 -1.814 215 HG2 LYS 25 2HG LYS 25 13.324 1.488 -0.363 216 HG3 LYS 25 1HG LYS 25 15.074 1.478 -0.584 217 HD2 LYS 25 2HD LYS 25 14.949 2.603 -2.548 218 HD3 LYS 25 1HD LYS 25 13.575 1.647 -3.102 219 HE2 LYS 25 2HE LYS 25 12.008 3.033 -1.980 220 HE3 LYS 25 1HE LYS 25 13.264 3.763 -0.961 221 HZ1 LYS 25 3HZ LYS 25 13.962 5.102 -2.613 222 HZ2 LYS 25 1HZ LYS 25 12.405 4.860 -3.241 223 HZ3 LYS 25 2HZ LYS 25 13.708 3.937 -3.823 224 H ASP 26 H ASP 26 12.785 -0.868 1.480 225 HA ASP 26 HA ASP 26 14.763 0.304 3.347 226 HB2 ASP 26 2HB ASP 26 12.508 1.613 2.008 227 HB3 ASP 26 1HB ASP 26 12.437 1.785 3.763 228 H GLY 27 H GLY 27 14.587 -1.694 4.557 229 HA2 GLY 27 2HA GLY 27 11.950 -2.651 5.407 230 HA3 GLY 27 1HA GLY 27 13.503 -3.340 5.875 231 H ARG 28 H ARG 28 13.341 0.050 6.304 232 HA ARG 28 HA ARG 28 12.647 -0.320 9.197 233 HB2 ARG 28 2HB ARG 28 14.516 1.231 9.680 234 HB3 ARG 28 1HB ARG 28 15.089 -0.190 8.805 235 HG2 ARG 28 2HG ARG 28 14.206 2.092 7.128 236 HG3 ARG 28 1HG ARG 28 15.684 2.346 8.057 237 HD2 ARG 28 2HD ARG 28 15.476 -0.271 6.656 238 HD3 ARG 28 1HD ARG 28 15.702 1.157 5.627 239 HE ARG 28 HE ARG 28 17.440 1.150 7.973 240 HH11 ARG 28 1HH2 ARG 28 17.299 1.413 4.657 241 HH12 ARG 28 2HH2 ARG 28 18.842 0.692 4.344 242 HH21 ARG 28 1HH1 ARG 28 19.308 -0.359 7.615 243 HH22 ARG 28 2HH1 ARG 28 19.980 -0.311 6.020 244 H ILE 29 H ILE 29 11.099 0.719 6.815 245 HA ILE 29 HA ILE 29 10.764 3.582 7.606 246 HB ILE 29 HB ILE 29 11.251 3.039 5.239 247 HG12 ILE 29 2HG1 ILE 29 8.382 3.929 5.672 248 HG13 ILE 29 1HG1 ILE 29 9.796 4.978 5.776 249 HG21 ILE 29 1HG2 ILE 29 9.524 0.873 5.763 250 HG22 ILE 29 2HG2 ILE 29 10.298 1.266 4.227 251 HG23 ILE 29 3HG2 ILE 29 8.683 1.877 4.583 252 HD11 ILE 29 3HD1 ILE 29 9.948 5.160 3.528 253 HD12 ILE 29 1HD1 ILE 29 8.330 4.462 3.472 254 HD13 ILE 29 2HD1 ILE 29 9.746 3.422 3.301 255 H SER 30 H SER 30 8.882 4.265 8.507 256 HA SER 30 HA SER 30 7.030 2.264 9.501 257 HB2 SER 30 2HB SER 30 7.876 4.413 10.609 258 HB3 SER 30 1HB SER 30 6.773 5.281 9.545 259 HG SER 30 HG SER 30 6.244 4.034 11.834 260 H ASN 31 H ASN 31 5.036 4.797 8.912 261 HA ASN 31 HA ASN 31 4.087 3.696 6.275 262 HB2 ASN 31 2HB ASN 31 1.809 4.347 7.250 263 HB3 ASN 31 1HB ASN 31 2.618 2.995 8.044 264 HD21 ASN 31 1HD2 ASN 31 0.883 4.055 9.743 265 HD22 ASN 31 2HD2 ASN 31 1.592 5.135 10.843 266 H VAL 32 H VAL 32 4.108 6.602 8.403 267 HA VAL 32 HA VAL 32 3.000 8.502 6.687 268 HB VAL 32 HB VAL 32 5.475 8.661 8.451 269 HG11 VAL 32 1HG1 VAL 32 4.496 10.573 6.616 270 HG12 VAL 32 2HG1 VAL 32 5.692 10.829 7.887 271 HG13 VAL 32 3HG1 VAL 32 3.984 11.125 8.212 272 HG21 VAL 32 3HG2 VAL 32 4.048 9.104 10.220 273 HG22 VAL 32 1HG2 VAL 32 3.017 8.029 9.275 274 HG23 VAL 32 2HG2 VAL 32 2.794 9.776 9.177 275 H GLU 33 H GLU 33 6.463 7.570 6.776 276 HA GLU 33 HA GLU 33 7.148 8.937 4.336 277 HB2 GLU 33 2HB GLU 33 8.537 7.816 6.327 278 HB3 GLU 33 1HB GLU 33 8.504 6.417 5.253 279 HG2 GLU 33 2HG GLU 33 10.292 7.353 4.230 280 HG3 GLU 33 1HG GLU 33 9.142 8.501 3.542 281 H LEU 34 H LEU 34 6.306 5.573 5.142 282 HA LEU 34 HA LEU 34 6.396 4.400 2.595 283 HB2 LEU 34 2HB LEU 34 5.611 3.750 5.167 284 HB3 LEU 34 1HB LEU 34 4.119 3.594 4.237 285 HG LEU 34 HG LEU 34 6.772 2.260 3.625 286 HD11 LEU 34 1HD1 LEU 34 4.310 1.470 5.036 287 HD12 LEU 34 2HD1 LEU 34 5.924 0.761 5.106 288 HD13 LEU 34 3HD1 LEU 34 4.826 0.325 3.797 289 HD21 LEU 34 3HD2 LEU 34 4.172 1.802 2.167 290 HD22 LEU 34 1HD2 LEU 34 5.811 1.408 1.648 291 HD23 LEU 34 2HD2 LEU 34 5.270 3.086 1.663 292 H SER 35 H SER 35 4.239 6.777 3.851 293 HA SER 35 HA SER 35 2.079 6.293 1.913 294 HB2 SER 35 2HB SER 35 0.927 7.773 3.249 295 HB3 SER 35 1HB SER 35 2.121 7.177 4.405 296 HG SER 35 HG SER 35 2.322 9.335 4.535 297 H LYS 36 H LYS 36 4.823 8.485 2.347 298 HA LYS 36 HA LYS 36 3.976 10.267 0.162 299 HB2 LYS 36 2HB LYS 36 6.402 10.065 1.959 300 HB3 LYS 36 1HB LYS 36 6.180 11.348 0.770 301 HG2 LYS 36 2HG LYS 36 4.039 11.967 1.854 302 HG3 LYS 36 1HG LYS 36 4.305 10.714 3.067 303 HD2 LYS 36 2HD LYS 36 6.689 12.103 3.121 304 HD3 LYS 36 1HD LYS 36 5.508 13.385 2.845 305 HE2 LYS 36 2HE LYS 36 4.206 11.991 4.772 306 HE3 LYS 36 1HE LYS 36 5.886 11.658 5.236 307 HZ1 LYS 36 3HZ LYS 36 4.735 14.339 4.664 308 HZ2 LYS 36 1HZ LYS 36 6.359 14.032 5.045 309 HZ3 LYS 36 2HZ LYS 36 5.149 13.744 6.202 310 H ARG 37 H ARG 37 6.357 7.629 0.553 311 HA ARG 37 HA ARG 37 7.821 8.220 -1.853 312 HB2 ARG 37 2HB ARG 37 7.432 5.503 -0.595 313 HB3 ARG 37 1HB ARG 37 8.852 6.103 -1.451 314 HG2 ARG 37 2HG ARG 37 8.817 7.944 0.455 315 HG3 ARG 37 1HG ARG 37 7.924 6.699 1.324 316 HD2 ARG 37 2HD ARG 37 10.253 6.352 1.837 317 HD3 ARG 37 1HD ARG 37 9.796 5.084 0.683 318 HE ARG 37 HE ARG 37 10.589 7.112 -0.979 319 HH11 ARG 37 1HH2 ARG 37 12.026 6.970 2.024 320 HH12 ARG 37 2HH2 ARG 37 13.632 6.658 1.449 321 HH21 ARG 37 1HH1 ARG 37 12.633 6.145 -1.833 322 HH22 ARG 37 2HH1 ARG 37 13.974 6.187 -0.738 323 H VAL 38 H VAL 38 4.784 6.813 -1.298 324 HA VAL 38 HA VAL 38 4.752 5.643 -4.037 325 HB VAL 38 HB VAL 38 2.531 4.661 -3.060 326 HG11 VAL 38 1HG1 VAL 38 4.539 3.352 -1.506 327 HG12 VAL 38 2HG1 VAL 38 5.252 3.858 -3.038 328 HG13 VAL 38 3HG1 VAL 38 3.819 2.829 -3.027 329 HG21 VAL 38 3HG2 VAL 38 4.027 5.279 -0.508 330 HG22 VAL 38 1HG2 VAL 38 2.436 4.539 -0.658 331 HG23 VAL 38 2HG2 VAL 38 2.664 6.241 -1.063 332 H GLY 39 H GLY 39 3.759 8.335 -2.297 333 HA2 GLY 39 2HA GLY 39 2.747 10.271 -3.232 334 HA3 GLY 39 1HA GLY 39 2.230 9.303 -4.608 335 H LEU 40 H LEU 40 1.587 8.653 -1.153 336 HA LEU 40 HA LEU 40 -1.273 9.379 -1.594 337 HB2 LEU 40 2HB LEU 40 -1.739 7.089 -0.400 338 HB3 LEU 40 1HB LEU 40 -1.433 7.104 -2.139 339 HG LEU 40 HG LEU 40 1.034 6.964 -0.620 340 HD11 LEU 40 1HD1 LEU 40 0.038 4.339 -0.287 341 HD12 LEU 40 2HD1 LEU 40 -1.165 5.419 0.413 342 HD13 LEU 40 3HD1 LEU 40 0.508 5.476 0.970 343 HD21 LEU 40 3HD2 LEU 40 1.191 6.302 -2.852 344 HD22 LEU 40 1HD2 LEU 40 -0.370 5.481 -2.818 345 HD23 LEU 40 2HD2 LEU 40 1.029 4.742 -2.051 346 H SER 41 H SER 41 -2.493 9.098 0.533 347 HA SER 41 HA SER 41 -0.975 10.345 2.712 348 HB2 SER 41 2HB SER 41 -3.793 9.281 2.377 349 HB3 SER 41 1HB SER 41 -3.218 10.016 3.869 350 HG SER 41 HG SER 41 -4.054 11.687 2.754 351 HA PRO 42 HA PRO 42 0.104 6.668 4.574 352 HB2 PRO 42 2HB PRO 42 0.232 7.386 7.203 353 HB3 PRO 42 1HB PRO 42 1.390 7.935 5.975 354 HG2 PRO 42 2HG PRO 42 -0.872 9.394 7.207 355 HG3 PRO 42 1HG PRO 42 0.700 9.993 6.661 356 HD2 PRO 42 2HD PRO 42 -1.691 10.222 5.262 357 HD3 PRO 42 1HD PRO 42 -0.063 10.397 4.567 358 H THR 43 H THR 43 -2.621 8.252 6.293 359 HA THR 43 HA THR 43 -3.685 6.184 7.773 360 HB THR 43 HB THR 43 -4.751 8.440 6.151 361 HG1 THR 43 1HG THR 43 -5.701 8.859 8.205 362 HG21 THR 43 3HG2 THR 43 -6.347 6.005 6.745 363 HG22 THR 43 1HG2 THR 43 -6.578 7.225 5.492 364 HG23 THR 43 2HG2 THR 43 -7.104 7.549 7.143 365 HA PRO 44 HA PRO 44 -5.482 4.062 3.917 366 HB2 PRO 44 2HB PRO 44 -4.940 5.117 1.448 367 HB3 PRO 44 1HB PRO 44 -6.319 5.647 2.432 368 HG2 PRO 44 2HG PRO 44 -3.718 6.978 1.952 369 HG3 PRO 44 1HG PRO 44 -5.316 7.682 2.233 370 HD2 PRO 44 2HD PRO 44 -3.284 7.483 4.122 371 HD3 PRO 44 1HD PRO 44 -5.000 7.764 4.472 372 H CYS 45 H CYS 45 -2.281 5.595 3.247 373 HA CYS 45 HA CYS 45 -1.030 3.689 1.649 374 HB2 CYS 45 2HB CYS 45 0.018 5.729 2.709 375 HB3 CYS 45 1HB CYS 45 0.075 4.845 4.233 376 HG CYS 45 HG CYS 45 1.510 3.564 1.795 377 H LEU 46 H LEU 46 -1.551 3.570 5.144 378 HA LEU 46 HA LEU 46 -0.504 0.945 5.591 379 HB2 LEU 46 2HB LEU 46 -2.654 2.619 6.933 380 HB3 LEU 46 1HB LEU 46 -1.954 1.156 7.637 381 HG LEU 46 HG LEU 46 0.168 2.811 6.720 382 HD11 LEU 46 1HD1 LEU 46 -0.841 4.439 8.846 383 HD12 LEU 46 2HD1 LEU 46 -2.054 4.358 7.569 384 HD13 LEU 46 3HD1 LEU 46 -0.420 4.916 7.199 385 HD21 LEU 46 3HD2 LEU 46 -0.071 1.060 8.644 386 HD22 LEU 46 1HD2 LEU 46 -0.597 2.440 9.607 387 HD23 LEU 46 2HD2 LEU 46 1.010 2.429 8.880 388 H GLU 47 H GLU 47 -3.834 2.153 5.082 389 HA GLU 47 HA GLU 47 -5.254 -0.241 5.022 390 HB2 GLU 47 2HB GLU 47 -5.406 2.323 3.495 391 HB3 GLU 47 1HB GLU 47 -6.446 1.002 2.988 392 HG2 GLU 47 2HG GLU 47 -6.533 1.192 5.849 393 HG3 GLU 47 1HG GLU 47 -6.849 2.786 5.162 394 H ARG 48 H ARG 48 -3.120 1.129 2.570 395 HA ARG 48 HA ARG 48 -3.541 -0.934 0.573 396 HB2 ARG 48 2HB ARG 48 -1.211 0.972 0.959 397 HB3 ARG 48 1HB ARG 48 -1.732 0.241 -0.560 398 HG2 ARG 48 2HG ARG 48 -3.753 1.842 0.959 399 HG3 ARG 48 1HG ARG 48 -2.471 2.721 0.128 400 HD2 ARG 48 2HD ARG 48 -3.340 2.259 -1.924 401 HD3 ARG 48 1HD ARG 48 -3.680 0.572 -1.492 402 HE ARG 48 HE ARG 48 -5.464 2.132 0.022 403 HH11 ARG 48 1HH1 ARG 48 -6.531 0.071 -1.763 404 HH12 ARG 48 2HH1 ARG 48 -7.349 0.982 -2.988 405 HH21 ARG 48 1HH2 ARG 48 -5.742 3.958 -2.218 406 HH22 ARG 48 2HH2 ARG 48 -6.902 3.184 -3.245 407 H VAL 49 H VAL 49 -1.022 -0.219 2.980 408 HA VAL 49 HA VAL 49 0.631 -2.506 2.448 409 HB VAL 49 HB VAL 49 0.580 -0.180 4.039 410 HG11 VAL 49 1HG1 VAL 49 -0.394 -1.622 5.861 411 HG12 VAL 49 2HG1 VAL 49 1.164 -0.902 6.269 412 HG13 VAL 49 3HG1 VAL 49 1.072 -2.600 5.795 413 HG21 VAL 49 3HG2 VAL 49 2.874 -0.486 4.017 414 HG22 VAL 49 1HG2 VAL 49 2.405 -1.605 2.734 415 HG23 VAL 49 2HG2 VAL 49 2.745 -2.216 4.349 416 H ARG 50 H ARG 50 -2.058 -1.934 4.680 417 HA ARG 50 HA ARG 50 -1.937 -4.305 6.197 418 HB2 ARG 50 2HB ARG 50 -4.425 -2.880 5.223 419 HB3 ARG 50 1HB ARG 50 -4.240 -3.781 6.728 420 HG2 ARG 50 2HG ARG 50 -2.226 -1.685 6.466 421 HG3 ARG 50 1HG ARG 50 -3.865 -1.035 6.409 422 HD2 ARG 50 2HD ARG 50 -3.679 -3.058 8.464 423 HD3 ARG 50 1HD ARG 50 -2.432 -1.818 8.704 424 HE ARG 50 HE ARG 50 -4.611 -0.291 8.098 425 HH11 ARG 50 1HH1 ARG 50 -6.481 -2.402 8.930 426 HH12 ARG 50 2HH1 ARG 50 -6.650 -2.130 10.633 427 HH21 ARG 50 1HH2 ARG 50 -3.808 -0.158 10.869 428 HH22 ARG 50 2HH2 ARG 50 -5.137 -0.860 11.730 429 H ARG 51 H ARG 51 -3.550 -3.592 3.166 430 HA ARG 51 HA ARG 51 -4.723 -6.121 2.645 431 HB2 ARG 51 2HB ARG 51 -5.343 -4.757 0.933 432 HB3 ARG 51 1HB ARG 51 -3.990 -3.673 1.240 433 HG2 ARG 51 2HG ARG 51 -3.752 -4.548 -1.002 434 HG3 ARG 51 1HG ARG 51 -2.513 -5.291 0.010 435 HD2 ARG 51 2HD ARG 51 -3.294 -7.311 -0.649 436 HD3 ARG 51 1HD ARG 51 -4.793 -6.955 0.232 437 HE ARG 51 HE ARG 51 -4.650 -5.648 -2.378 438 HH11 ARG 51 1HH1 ARG 51 -6.467 -7.588 -0.371 439 HH12 ARG 51 2HH1 ARG 51 -7.193 -8.532 -1.628 440 HH21 ARG 51 1HH2 ARG 51 -5.155 -7.257 -4.127 441 HH22 ARG 51 2HH2 ARG 51 -6.450 -8.345 -3.754 442 H LEU 52 H LEU 52 -1.438 -4.886 2.164 443 HA LEU 52 HA LEU 52 -0.396 -7.319 0.965 444 HB2 LEU 52 2HB LEU 52 0.776 -4.850 2.251 445 HB3 LEU 52 1HB LEU 52 1.791 -6.134 1.595 446 HG LEU 52 HG LEU 52 -0.346 -4.653 0.037 447 HD11 LEU 52 1HD1 LEU 52 2.532 -4.155 0.522 448 HD12 LEU 52 2HD1 LEU 52 1.260 -3.033 0.037 449 HD13 LEU 52 3HD1 LEU 52 2.025 -4.071 -1.165 450 HD21 LEU 52 3HD2 LEU 52 -0.181 -6.561 -1.204 451 HD22 LEU 52 1HD2 LEU 52 1.346 -7.031 -0.453 452 HD23 LEU 52 2HD2 LEU 52 1.333 -5.847 -1.763 453 H GLU 53 H GLU 53 -1.082 -6.265 4.175 454 HA GLU 53 HA GLU 53 0.768 -8.004 5.595 455 HB2 GLU 53 2HB GLU 53 -0.927 -5.857 6.116 456 HB3 GLU 53 1HB GLU 53 -1.704 -7.202 6.950 457 HG2 GLU 53 2HG GLU 53 1.053 -7.459 7.479 458 HG3 GLU 53 1HG GLU 53 0.677 -5.746 7.683 459 H ARG 54 H ARG 54 -2.760 -8.091 5.012 460 HA ARG 54 HA ARG 54 -3.379 -10.550 6.217 461 HB2 ARG 54 2HB ARG 54 -4.471 -9.328 3.661 462 HB3 ARG 54 1HB ARG 54 -5.314 -10.489 4.689 463 HG2 ARG 54 2HG ARG 54 -4.881 -8.746 6.588 464 HG3 ARG 54 1HG ARG 54 -4.631 -7.613 5.259 465 HD2 ARG 54 2HD ARG 54 -6.894 -7.354 5.267 466 HD3 ARG 54 1HD ARG 54 -6.965 -8.973 4.539 467 HE ARG 54 HE ARG 54 -6.611 -9.229 7.370 468 HH11 ARG 54 1HH1 ARG 54 -8.699 -10.397 5.319 469 HH12 ARG 54 2HH1 ARG 54 -10.164 -9.931 6.116 470 HH21 ARG 54 1HH2 ARG 54 -8.596 -7.710 8.270 471 HH22 ARG 54 2HH2 ARG 54 -10.106 -8.408 7.787 472 H GLN 55 H GLN 55 -1.830 -9.924 3.107 473 HA GLN 55 HA GLN 55 -2.047 -12.726 2.231 474 HB2 GLN 55 2HB GLN 55 -0.413 -10.406 1.165 475 HB3 GLN 55 1HB GLN 55 -0.852 -11.870 0.285 476 HG2 GLN 55 2HG GLN 55 -3.125 -10.391 1.464 477 HG3 GLN 55 1HG GLN 55 -2.273 -9.542 0.174 478 HE21 GLN 55 1HE2 GLN 55 -4.912 -10.445 -0.283 479 HE22 GLN 55 2HE2 GLN 55 -4.879 -11.729 -1.393 480 H GLY 56 H GLY 56 -0.369 -11.486 4.669 481 HA2 GLY 56 2HA GLY 56 1.571 -12.153 5.804 482 HA3 GLY 56 1HA GLY 56 1.619 -13.544 4.722 483 H PHE 57 H PHE 57 1.924 -10.032 4.074 484 HA PHE 57 HA PHE 57 4.629 -10.616 2.926 485 HB2 PHE 57 2HB PHE 57 2.353 -8.952 1.820 486 HB3 PHE 57 1HB PHE 57 3.984 -8.935 1.151 487 HD1 PHE 57 1HD PHE 57 4.781 -11.766 1.461 488 HD2 PHE 57 2HD PHE 57 1.060 -10.054 0.178 489 HE1 PHE 57 1HE PHE 57 4.274 -13.829 0.183 490 HE2 PHE 57 2HE PHE 57 0.546 -12.120 -1.094 491 HZ PHE 57 HZ PHE 57 2.156 -14.008 -1.094 492 H ILE 58 H ILE 58 3.147 -9.118 5.372 493 HA ILE 58 HA ILE 58 5.147 -6.894 5.436 494 HB ILE 58 HB ILE 58 2.352 -6.541 6.486 495 HG12 ILE 58 2HG1 ILE 58 2.140 -7.279 4.111 496 HG13 ILE 58 1HG1 ILE 58 1.696 -5.582 4.313 497 HG21 ILE 58 1HG2 ILE 58 4.259 -4.578 5.193 498 HG22 ILE 58 2HG2 ILE 58 4.319 -4.959 6.918 499 HG23 ILE 58 3HG2 ILE 58 2.871 -4.223 6.228 500 HD11 ILE 58 3HD1 ILE 58 3.603 -6.596 2.531 501 HD12 ILE 58 1HD1 ILE 58 4.547 -5.867 3.832 502 HD13 ILE 58 2HD1 ILE 58 3.357 -4.901 2.956 503 H GLN 59 H GLN 59 5.352 -9.449 6.634 504 HA GLN 59 HA GLN 59 4.694 -9.077 9.498 505 HB2 GLN 59 2HB GLN 59 5.680 -11.415 9.588 506 HB3 GLN 59 1HB GLN 59 4.295 -11.258 8.508 507 HG2 GLN 59 2HG GLN 59 5.551 -11.599 6.634 508 HG3 GLN 59 1HG GLN 59 6.921 -10.690 7.268 509 HE21 GLN 59 1HE2 GLN 59 8.129 -12.673 6.323 510 HE22 GLN 59 2HE2 GLN 59 8.312 -14.022 7.338 511 H GLY 60 H GLY 60 7.119 -8.257 7.369 512 HA2 GLY 60 2HA GLY 60 9.069 -7.898 9.586 513 HA3 GLY 60 1HA GLY 60 9.612 -8.597 8.057 514 H TYR 61 H TYR 61 8.020 -7.028 6.307 515 HA TYR 61 HA TYR 61 9.617 -4.710 5.910 516 HB2 TYR 61 2HB TYR 61 6.750 -5.231 5.069 517 HB3 TYR 61 1HB TYR 61 7.905 -4.181 4.256 518 HD1 TYR 61 2HD TYR 61 10.197 -6.361 5.025 519 HD2 TYR 61 1HD TYR 61 6.498 -6.399 2.841 520 HE1 TYR 61 2HE TYR 61 11.009 -8.282 3.684 521 HE2 TYR 61 1HE TYR 61 7.312 -8.319 1.498 522 HH TYR 61 HH TYR 61 10.608 -9.376 1.614 523 H THR 62 H THR 62 6.430 -3.564 5.883 524 HA THR 62 HA THR 62 7.099 -1.822 8.154 525 HB THR 62 HB THR 62 6.127 -1.081 5.938 526 HG1 THR 62 1HG THR 62 5.271 0.575 6.948 527 HG21 THR 62 3HG2 THR 62 3.506 -1.185 6.075 528 HG22 THR 62 1HG2 THR 62 3.818 -2.623 7.040 529 HG23 THR 62 2HG2 THR 62 4.409 -2.531 5.385 530 H ALA 63 H ALA 63 6.291 -4.745 8.354 531 HA ALA 63 HA ALA 63 3.805 -5.321 9.352 532 HB1 ALA 63 1HB ALA 63 6.040 -6.654 9.321 533 HB2 ALA 63 2HB ALA 63 4.909 -7.000 10.629 534 HB3 ALA 63 3HB ALA 63 6.310 -5.970 10.924 535 H LEU 64 H LEU 64 6.279 -3.279 10.762 536 HA LEU 64 HA LEU 64 5.411 -2.880 13.400 537 HB2 LEU 64 2HB LEU 64 6.521 -0.614 13.016 538 HB3 LEU 64 1HB LEU 64 7.498 -2.016 12.589 539 HG LEU 64 HG LEU 64 6.115 -1.507 10.241 540 HD11 LEU 64 1HD1 LEU 64 5.946 0.780 9.865 541 HD12 LEU 64 2HD1 LEU 64 7.098 1.179 11.138 542 HD13 LEU 64 3HD1 LEU 64 5.460 0.676 11.558 543 HD21 LEU 64 3HD2 LEU 64 8.824 -1.235 11.298 544 HD22 LEU 64 1HD2 LEU 64 8.495 -0.063 10.022 545 HD23 LEU 64 2HD2 LEU 64 8.296 -1.787 9.708 546 H LEU 65 H LEU 65 4.235 -1.540 10.441 547 HA LEU 65 HA LEU 65 2.755 0.657 11.107 548 HB2 LEU 65 2HB LEU 65 1.491 0.177 9.176 549 HB3 LEU 65 1HB LEU 65 2.981 -0.735 8.922 550 HG LEU 65 HG LEU 65 1.439 -2.519 10.354 551 HD11 LEU 65 1HD1 LEU 65 -0.788 -2.477 9.569 552 HD12 LEU 65 2HD1 LEU 65 -0.406 -1.328 8.288 553 HD13 LEU 65 3HD1 LEU 65 -0.452 -0.793 9.967 554 HD21 LEU 65 3HD2 LEU 65 2.028 -2.080 7.451 555 HD22 LEU 65 1HD2 LEU 65 0.944 -3.392 7.911 556 HD23 LEU 65 2HD2 LEU 65 2.600 -3.358 8.523 557 H ASN 66 H ASN 66 2.112 -2.568 12.171 558 HA ASN 66 HA ASN 66 -0.625 -2.136 13.024 559 HB2 ASN 66 2HB ASN 66 0.746 -4.303 12.507 560 HB3 ASN 66 1HB ASN 66 1.284 -4.161 14.180 561 HD21 ASN 66 1HD2 ASN 66 -0.287 -6.382 13.503 562 HD22 ASN 66 2HD2 ASN 66 -1.834 -6.217 14.181 Start of MODEL 2 1 H1 MET 1 1HT MET 1 11.829 -10.731 0.006 2 H2 MET 1 2HT MET 1 10.689 -11.727 0.776 3 H3 MET 1 3HT MET 1 10.240 -10.810 -0.581 4 HA MET 1 HA MET 1 11.302 -13.425 -0.507 5 HB2 MET 1 2HB MET 1 9.574 -11.808 -1.941 6 HB3 MET 1 1HB MET 1 10.909 -12.032 -3.073 7 HG2 MET 1 2HG MET 1 10.760 -14.517 -2.591 8 HG3 MET 1 1HG MET 1 9.268 -14.184 -1.713 9 HE1 MET 1 2HE MET 1 8.557 -16.069 -3.302 10 HE2 MET 1 3HE MET 1 9.793 -16.051 -4.558 11 HE3 MET 1 1HE MET 1 8.089 -15.862 -4.989 12 H VAL 2 H VAL 2 12.618 -13.701 -2.921 13 HA VAL 2 HA VAL 2 15.318 -12.774 -2.238 14 HB VAL 2 HB VAL 2 14.209 -14.361 -4.579 15 HG11 VAL 2 1HG1 VAL 2 16.407 -13.532 -5.121 16 HG12 VAL 2 2HG1 VAL 2 16.589 -15.222 -4.651 17 HG13 VAL 2 3HG1 VAL 2 17.016 -13.940 -3.517 18 HG21 VAL 2 3HG2 VAL 2 14.388 -15.006 -1.823 19 HG22 VAL 2 1HG2 VAL 2 15.688 -15.884 -2.629 20 HG23 VAL 2 2HG2 VAL 2 14.019 -16.098 -3.157 21 H ASP 3 H ASP 3 14.788 -10.412 -2.568 22 HA ASP 3 HA ASP 3 14.702 -8.451 -3.904 23 HB2 ASP 3 2HB ASP 3 16.928 -9.985 -4.332 24 HB3 ASP 3 1HB ASP 3 16.313 -9.823 -5.977 25 H SER 4 H SER 4 12.423 -8.669 -4.527 26 HA SER 4 HA SER 4 12.103 -9.118 -7.440 27 HB2 SER 4 2HB SER 4 10.603 -10.613 -5.267 28 HB3 SER 4 1HB SER 4 10.183 -10.665 -6.977 29 HG SER 4 HG SER 4 12.645 -11.203 -7.051 30 H LYS 5 H LYS 5 10.649 -8.173 -4.337 31 HA LYS 5 HA LYS 5 9.187 -6.377 -3.846 32 HB2 LYS 5 2HB LYS 5 9.469 -5.614 -6.758 33 HB3 LYS 5 1HB LYS 5 9.252 -4.553 -5.366 34 HG2 LYS 5 2HG LYS 5 11.601 -6.036 -4.848 35 HG3 LYS 5 1HG LYS 5 11.710 -5.526 -6.533 36 HD2 LYS 5 2HD LYS 5 10.831 -3.223 -5.471 37 HD3 LYS 5 1HD LYS 5 11.650 -3.876 -4.053 38 HE2 LYS 5 2HE LYS 5 13.624 -4.345 -5.719 39 HE3 LYS 5 1HE LYS 5 12.819 -3.124 -6.725 40 HZ1 LYS 5 3HZ LYS 5 13.220 -1.497 -5.236 41 HZ2 LYS 5 1HZ LYS 5 14.480 -2.511 -4.723 42 HZ3 LYS 5 2HZ LYS 5 13.000 -2.513 -3.892 43 H LYS 6 H LYS 6 8.018 -8.838 -4.416 44 HA LYS 6 HA LYS 6 5.397 -8.000 -5.444 45 HB2 LYS 6 2HB LYS 6 6.986 -8.621 -7.396 46 HB3 LYS 6 1HB LYS 6 6.827 -10.280 -6.819 47 HG2 LYS 6 2HG LYS 6 5.039 -10.278 -8.257 48 HG3 LYS 6 1HG LYS 6 4.223 -9.582 -6.857 49 HD2 LYS 6 2HD LYS 6 3.709 -8.149 -8.706 50 HD3 LYS 6 1HD LYS 6 4.917 -7.297 -7.745 51 HE2 LYS 6 2HE LYS 6 5.871 -7.072 -9.860 52 HE3 LYS 6 1HE LYS 6 6.589 -8.622 -9.381 53 HZ1 LYS 6 3HZ LYS 6 3.943 -8.963 -10.377 54 HZ2 LYS 6 1HZ LYS 6 5.383 -9.694 -10.897 55 HZ3 LYS 6 2HZ LYS 6 4.918 -8.187 -11.530 56 H ARG 7 H ARG 7 5.094 -8.664 -3.105 57 HA ARG 7 HA ARG 7 5.466 -11.414 -2.299 58 HB2 ARG 7 2HB ARG 7 4.222 -8.911 -1.288 59 HB3 ARG 7 1HB ARG 7 3.639 -10.415 -0.574 60 HG2 ARG 7 2HG ARG 7 6.523 -9.481 -0.709 61 HG3 ARG 7 1HG ARG 7 5.523 -9.597 0.739 62 HD2 ARG 7 2HD ARG 7 5.431 -12.142 -0.565 63 HD3 ARG 7 1HD ARG 7 7.131 -11.650 -0.443 64 HE ARG 7 HE ARG 7 5.399 -12.292 1.799 65 HH11 ARG 7 1HH1 ARG 7 8.549 -11.819 1.045 66 HH12 ARG 7 2HH1 ARG 7 8.977 -10.912 2.457 67 HH21 ARG 7 1HH2 ARG 7 5.698 -10.459 3.486 68 HH22 ARG 7 2HH2 ARG 7 7.364 -10.141 3.838 69 HA PRO 8 HA PRO 8 0.742 -11.793 -2.979 70 HB2 PRO 8 2HB PRO 8 -0.512 -9.731 -4.286 71 HB3 PRO 8 1HB PRO 8 -0.340 -9.801 -2.521 72 HG2 PRO 8 2HG PRO 8 1.268 -8.279 -4.521 73 HG3 PRO 8 1HG PRO 8 0.700 -7.781 -2.920 74 HD2 PRO 8 2HD PRO 8 3.251 -8.587 -3.392 75 HD3 PRO 8 1HD PRO 8 2.434 -8.832 -1.833 76 H GLY 9 H GLY 9 2.112 -9.748 -5.592 77 HA2 GLY 9 2HA GLY 9 2.566 -10.301 -7.836 78 HA3 GLY 9 1HA GLY 9 2.275 -11.990 -7.420 79 H LYS 10 H LYS 10 1.297 -11.162 -9.820 80 HA LYS 10 HA LYS 10 -0.693 -10.980 -11.088 81 HB2 LYS 10 2HB LYS 10 -0.878 -13.021 -9.383 82 HB3 LYS 10 1HB LYS 10 -2.155 -12.022 -8.686 83 HG2 LYS 10 2HG LYS 10 -3.548 -12.346 -10.458 84 HG3 LYS 10 1HG LYS 10 -2.235 -12.240 -11.631 85 HD2 LYS 10 2HD LYS 10 -1.701 -14.502 -11.442 86 HD3 LYS 10 1HD LYS 10 -2.399 -14.634 -9.827 87 HE2 LYS 10 2HE LYS 10 -4.508 -15.032 -10.638 88 HE3 LYS 10 1HE LYS 10 -4.304 -13.899 -11.989 89 HZ1 LYS 10 3HZ LYS 10 -2.868 -15.456 -13.089 90 HZ2 LYS 10 1HZ LYS 10 -4.313 -16.256 -12.701 91 HZ3 LYS 10 2HZ LYS 10 -2.919 -16.521 -11.765 92 H ASP 11 H ASP 11 -3.349 -10.677 -9.607 93 HA ASP 11 HA ASP 11 -3.870 -7.977 -9.877 94 HB2 ASP 11 2HB ASP 11 -4.839 -9.941 -7.775 95 HB3 ASP 11 1HB ASP 11 -5.628 -8.401 -8.119 96 H LEU 12 H LEU 12 -2.479 -6.386 -9.120 97 HA LEU 12 HA LEU 12 -1.966 -6.332 -6.171 98 HB2 LEU 12 2HB LEU 12 -0.122 -6.940 -8.213 99 HB3 LEU 12 1HB LEU 12 0.233 -5.276 -7.746 100 HG LEU 12 HG LEU 12 -0.064 -7.570 -5.787 101 HD11 LEU 12 1HD1 LEU 12 2.299 -6.404 -7.229 102 HD12 LEU 12 2HD1 LEU 12 1.948 -8.089 -6.844 103 HD13 LEU 12 3HD1 LEU 12 2.505 -6.994 -5.579 104 HD21 LEU 12 3HD2 LEU 12 -0.575 -5.453 -4.753 105 HD22 LEU 12 1HD2 LEU 12 0.802 -4.676 -5.535 106 HD23 LEU 12 2HD2 LEU 12 1.068 -5.879 -4.273 107 H ASP 13 H ASP 13 -2.447 -4.334 -5.325 108 HA ASP 13 HA ASP 13 -3.403 -2.183 -7.022 109 HB2 ASP 13 2HB ASP 13 -3.907 -2.944 -4.529 110 HB3 ASP 13 1HB ASP 13 -2.585 -1.837 -4.155 111 H ARG 14 H ARG 14 -2.226 -0.526 -7.885 112 HA ARG 14 HA ARG 14 0.518 -0.439 -8.128 113 HB2 ARG 14 2HB ARG 14 -1.297 0.984 -9.214 114 HB3 ARG 14 1HB ARG 14 -1.236 2.004 -7.776 115 HG2 ARG 14 2HG ARG 14 0.221 2.990 -9.434 116 HG3 ARG 14 1HG ARG 14 1.239 2.284 -8.177 117 HD2 ARG 14 2HD ARG 14 2.262 1.484 -10.145 118 HD3 ARG 14 1HD ARG 14 1.169 0.146 -9.740 119 HE ARG 14 HE ARG 14 -0.039 0.691 -11.691 120 HH11 ARG 14 1HH2 ARG 14 2.381 2.985 -11.358 121 HH12 ARG 14 2HH2 ARG 14 1.561 4.236 -12.233 122 HH21 ARG 14 1HH1 ARG 14 -1.429 2.495 -12.447 123 HH22 ARG 14 2HH1 ARG 14 -0.595 3.959 -12.850 124 H ILE 15 H ILE 15 -1.398 0.775 -5.411 125 HA ILE 15 HA ILE 15 0.804 2.127 -4.091 126 HB ILE 15 HB ILE 15 -1.739 1.031 -2.878 127 HG12 ILE 15 2HG1 ILE 15 -2.486 2.147 -4.855 128 HG13 ILE 15 1HG1 ILE 15 -2.667 3.327 -3.558 129 HG21 ILE 15 1HG2 ILE 15 -0.973 2.165 -1.089 130 HG22 ILE 15 2HG2 ILE 15 -1.130 3.653 -2.025 131 HG23 ILE 15 3HG2 ILE 15 0.400 2.775 -2.015 132 HD11 ILE 15 3HD1 ILE 15 -0.857 3.356 -5.883 133 HD12 ILE 15 1HD1 ILE 15 -0.082 3.782 -4.356 134 HD13 ILE 15 2HD1 ILE 15 -1.477 4.700 -4.923 135 H ASP 16 H ASP 16 -0.267 -1.177 -4.260 136 HA ASP 16 HA ASP 16 1.109 -1.986 -1.783 137 HB2 ASP 16 2HB ASP 16 -0.406 -3.328 -4.028 138 HB3 ASP 16 1HB ASP 16 0.444 -4.284 -2.813 139 H ARG 17 H ARG 17 1.479 -2.906 -5.238 140 HA ARG 17 HA ARG 17 3.966 -4.196 -5.009 141 HB2 ARG 17 2HB ARG 17 4.158 -3.435 -7.467 142 HB3 ARG 17 1HB ARG 17 2.718 -4.354 -7.033 143 HG2 ARG 17 2HG ARG 17 1.488 -2.642 -7.833 144 HG3 ARG 17 1HG ARG 17 2.070 -1.677 -6.479 145 HD2 ARG 17 2HD ARG 17 2.645 -0.426 -8.442 146 HD3 ARG 17 1HD ARG 17 4.155 -1.211 -7.939 147 HE ARG 17 HE ARG 17 3.327 -3.103 -9.570 148 HH11 ARG 17 1HH1 ARG 17 4.598 -0.299 -10.448 149 HH12 ARG 17 2HH1 ARG 17 3.725 -0.077 -11.927 150 HH21 ARG 17 1HH2 ARG 17 1.419 -2.576 -11.250 151 HH22 ARG 17 2HH2 ARG 17 1.925 -1.365 -12.381 152 H ASN 18 H ASN 18 3.273 -0.761 -5.466 153 HA ASN 18 HA ASN 18 6.036 0.056 -5.697 154 HB2 ASN 18 2HB ASN 18 3.367 1.340 -5.147 155 HB3 ASN 18 1HB ASN 18 4.840 2.293 -4.968 156 HD21 ASN 18 1HD2 ASN 18 6.278 2.423 -6.942 157 HD22 ASN 18 2HD2 ASN 18 5.573 2.284 -8.481 158 H ILE 19 H ILE 19 3.714 -0.153 -3.007 159 HA ILE 19 HA ILE 19 5.503 0.906 -1.009 160 HB ILE 19 HB ILE 19 2.982 -0.748 -1.068 161 HG12 ILE 19 2HG1 ILE 19 3.641 1.973 0.103 162 HG13 ILE 19 1HG1 ILE 19 2.919 1.714 -1.485 163 HG21 ILE 19 1HG2 ILE 19 4.923 -0.734 1.048 164 HG22 ILE 19 2HG2 ILE 19 3.347 -1.520 1.014 165 HG23 ILE 19 3HG2 ILE 19 3.493 0.142 1.584 166 HD11 ILE 19 3HD1 ILE 19 1.734 1.123 1.228 167 HD12 ILE 19 1HD1 ILE 19 1.104 0.370 -0.237 168 HD13 ILE 19 2HD1 ILE 19 1.069 2.124 -0.062 169 H LEU 20 H LEU 20 4.890 -2.321 -2.339 170 HA LEU 20 HA LEU 20 6.441 -3.774 -0.372 171 HB2 LEU 20 2HB LEU 20 5.308 -4.209 -3.123 172 HB3 LEU 20 1HB LEU 20 6.480 -5.375 -2.505 173 HG LEU 20 HG LEU 20 3.943 -4.528 -1.072 174 HD11 LEU 20 1HD1 LEU 20 3.065 -5.921 -2.672 175 HD12 LEU 20 2HD1 LEU 20 3.632 -7.159 -1.553 176 HD13 LEU 20 3HD1 LEU 20 4.604 -6.732 -2.960 177 HD21 LEU 20 3HD2 LEU 20 4.614 -6.672 0.256 178 HD22 LEU 20 1HD2 LEU 20 5.466 -5.167 0.605 179 HD23 LEU 20 2HD2 LEU 20 6.221 -6.391 -0.417 180 H ASN 21 H ASN 21 7.171 -2.192 -3.475 181 HA ASN 21 HA ASN 21 9.890 -3.128 -3.711 182 HB2 ASN 21 2HB ASN 21 8.727 -2.198 -5.606 183 HB3 ASN 21 1HB ASN 21 8.339 -0.723 -4.720 184 HD21 ASN 21 1HD2 ASN 21 10.462 -1.942 -7.011 185 HD22 ASN 21 2HD2 ASN 21 11.745 -0.851 -6.795 186 H GLU 22 H GLU 22 8.356 -0.339 -2.141 187 HA GLU 22 HA GLU 22 10.798 0.984 -1.350 188 HB2 GLU 22 2HB GLU 22 7.952 1.003 -0.293 189 HB3 GLU 22 1HB GLU 22 9.193 2.156 0.199 190 HG2 GLU 22 2HG GLU 22 9.451 2.890 -2.140 191 HG3 GLU 22 1HG GLU 22 8.220 1.731 -2.642 192 H LEU 23 H LEU 23 8.660 -1.401 0.201 193 HA LEU 23 HA LEU 23 9.969 -1.435 2.754 194 HB2 LEU 23 2HB LEU 23 8.296 -3.372 1.142 195 HB3 LEU 23 1HB LEU 23 8.861 -3.767 2.766 196 HG LEU 23 HG LEU 23 7.215 -1.330 2.023 197 HD11 LEU 23 1HD1 LEU 23 6.480 -4.051 2.599 198 HD12 LEU 23 2HD1 LEU 23 5.429 -2.677 2.255 199 HD13 LEU 23 3HD1 LEU 23 5.926 -3.013 3.914 200 HD21 LEU 23 3HD2 LEU 23 7.257 -1.973 4.822 201 HD22 LEU 23 1HD2 LEU 23 7.811 -0.499 4.029 202 HD23 LEU 23 2HD2 LEU 23 8.918 -1.856 4.243 203 H GLN 24 H GLN 24 10.749 -2.837 -0.352 204 HA GLN 24 HA GLN 24 12.645 -4.812 0.650 205 HB2 GLN 24 2HB GLN 24 11.499 -5.050 -1.497 206 HB3 GLN 24 1HB GLN 24 12.166 -3.515 -2.055 207 HG2 GLN 24 2HG GLN 24 13.525 -5.262 -3.007 208 HG3 GLN 24 1HG GLN 24 14.471 -4.510 -1.722 209 HE21 GLN 24 1HE2 GLN 24 11.894 -7.048 -1.749 210 HE22 GLN 24 2HE2 GLN 24 12.783 -8.161 -0.824 211 H LYS 25 H LYS 25 12.843 -1.495 -0.638 212 HA LYS 25 HA LYS 25 15.775 -1.435 -0.388 213 HB2 LYS 25 2HB LYS 25 15.407 0.154 -1.963 214 HB3 LYS 25 1HB LYS 25 13.669 -0.009 -1.719 215 HG2 LYS 25 2HG LYS 25 13.765 1.598 0.145 216 HG3 LYS 25 1HG LYS 25 15.511 1.746 -0.063 217 HD2 LYS 25 2HD LYS 25 15.314 3.013 -1.970 218 HD3 LYS 25 1HD LYS 25 13.833 2.203 -2.480 219 HE2 LYS 25 2HE LYS 25 12.516 3.450 -0.867 220 HE3 LYS 25 1HE LYS 25 13.981 4.145 -0.148 221 HZ1 LYS 25 3HZ LYS 25 14.528 5.116 -2.299 222 HZ2 LYS 25 1HZ LYS 25 13.013 5.665 -1.767 223 HZ3 LYS 25 2HZ LYS 25 13.107 4.472 -2.972 224 H ASP 26 H ASP 26 12.983 -0.576 1.511 225 HA ASP 26 HA ASP 26 14.834 0.421 3.631 226 HB2 ASP 26 2HB ASP 26 12.651 1.748 2.201 227 HB3 ASP 26 1HB ASP 26 12.431 1.799 3.951 228 H GLY 27 H GLY 27 14.634 -1.658 4.689 229 HA2 GLY 27 2HA GLY 27 11.980 -2.710 5.339 230 HA3 GLY 27 1HA GLY 27 13.520 -3.379 5.880 231 H ARG 28 H ARG 28 13.380 -0.045 6.431 232 HA ARG 28 HA ARG 28 12.509 -0.501 9.269 233 HB2 ARG 28 2HB ARG 28 14.225 1.491 9.572 234 HB3 ARG 28 1HB ARG 28 14.823 -0.160 9.402 235 HG2 ARG 28 2HG ARG 28 16.072 1.355 7.924 236 HG3 ARG 28 1HG ARG 28 15.123 0.217 6.968 237 HD2 ARG 28 2HD ARG 28 13.633 1.852 6.251 238 HD3 ARG 28 1HD ARG 28 13.877 2.849 7.699 239 HE ARG 28 HE ARG 28 16.037 2.513 5.651 240 HH11 ARG 28 1HH2 ARG 28 13.647 4.559 6.907 241 HH12 ARG 28 2HH2 ARG 28 14.658 5.963 6.980 242 HH21 ARG 28 1HH1 ARG 28 17.548 4.254 6.113 243 HH22 ARG 28 2HH1 ARG 28 16.867 5.791 6.532 244 H ILE 29 H ILE 29 10.755 0.370 7.135 245 HA ILE 29 HA ILE 29 10.322 3.238 7.897 246 HB ILE 29 HB ILE 29 10.946 2.689 5.513 247 HG12 ILE 29 2HG1 ILE 29 8.180 3.825 6.023 248 HG13 ILE 29 1HG1 ILE 29 9.696 4.727 6.001 249 HG21 ILE 29 1HG2 ILE 29 8.177 1.535 5.259 250 HG22 ILE 29 2HG2 ILE 29 9.543 0.497 5.668 251 HG23 ILE 29 3HG2 ILE 29 9.540 1.392 4.147 252 HD11 ILE 29 3HD1 ILE 29 8.092 3.664 3.738 253 HD12 ILE 29 1HD1 ILE 29 9.844 3.541 3.577 254 HD13 ILE 29 2HD1 ILE 29 9.089 5.115 3.826 255 H SER 30 H SER 30 8.308 3.789 8.679 256 HA SER 30 HA SER 30 6.516 1.578 9.420 257 HB2 SER 30 2HB SER 30 6.949 3.188 11.108 258 HB3 SER 30 1HB SER 30 6.749 4.535 9.990 259 HG SER 30 HG SER 30 4.632 2.750 10.515 260 H ASN 31 H ASN 31 4.826 4.488 8.941 261 HA ASN 31 HA ASN 31 3.755 3.535 6.305 262 HB2 ASN 31 2HB ASN 31 1.529 4.390 7.291 263 HB3 ASN 31 1HB ASN 31 2.173 2.901 7.983 264 HD21 ASN 31 1HD2 ASN 31 1.688 6.363 8.596 265 HD22 ASN 31 2HD2 ASN 31 2.017 6.290 10.260 266 H VAL 32 H VAL 32 3.973 6.336 8.545 267 HA VAL 32 HA VAL 32 3.094 8.395 6.885 268 HB VAL 32 HB VAL 32 5.536 8.298 8.696 269 HG11 VAL 32 1HG1 VAL 32 3.874 10.641 7.718 270 HG12 VAL 32 2HG1 VAL 32 5.540 10.292 7.259 271 HG13 VAL 32 3HG1 VAL 32 5.160 10.740 8.921 272 HG21 VAL 32 3HG2 VAL 32 4.038 8.086 10.365 273 HG22 VAL 32 1HG2 VAL 32 2.711 8.097 9.204 274 HG23 VAL 32 2HG2 VAL 32 3.309 9.615 9.874 275 H GLU 33 H GLU 33 6.523 7.355 7.108 276 HA GLU 33 HA GLU 33 7.350 8.701 4.706 277 HB2 GLU 33 2HB GLU 33 8.697 7.748 6.701 278 HB3 GLU 33 1HB GLU 33 8.549 6.187 5.894 279 HG2 GLU 33 2HG GLU 33 10.470 6.833 4.846 280 HG3 GLU 33 1HG GLU 33 9.366 7.744 3.815 281 H LEU 34 H LEU 34 5.866 5.600 5.385 282 HA LEU 34 HA LEU 34 6.366 4.406 2.782 283 HB2 LEU 34 2HB LEU 34 5.595 3.551 5.256 284 HB3 LEU 34 1HB LEU 34 4.046 3.560 4.412 285 HG LEU 34 HG LEU 34 6.564 2.079 3.624 286 HD11 LEU 34 1HD1 LEU 34 4.856 0.169 3.624 287 HD12 LEU 34 2HD1 LEU 34 3.759 1.290 4.431 288 HD13 LEU 34 3HD1 LEU 34 5.278 0.834 5.202 289 HD21 LEU 34 3HD2 LEU 34 3.975 2.333 2.062 290 HD22 LEU 34 1HD2 LEU 34 5.406 1.418 1.585 291 HD23 LEU 34 2HD2 LEU 34 5.468 3.179 1.656 292 H SER 35 H SER 35 4.201 6.758 3.998 293 HA SER 35 HA SER 35 2.060 6.259 2.048 294 HB2 SER 35 2HB SER 35 0.961 7.977 3.249 295 HB3 SER 35 1HB SER 35 1.912 7.126 4.467 296 HG SER 35 HG SER 35 3.337 8.762 4.511 297 H LYS 36 H LYS 36 4.560 8.754 2.617 298 HA LYS 36 HA LYS 36 3.839 10.232 0.194 299 HB2 LYS 36 2HB LYS 36 6.051 10.373 2.256 300 HB3 LYS 36 1HB LYS 36 5.932 11.509 0.914 301 HG2 LYS 36 2HG LYS 36 3.912 12.419 1.698 302 HG3 LYS 36 1HG LYS 36 3.562 11.014 2.704 303 HD2 LYS 36 2HD LYS 36 6.004 11.921 3.680 304 HD3 LYS 36 1HD LYS 36 5.116 13.407 3.338 305 HE2 LYS 36 2HE LYS 36 3.129 12.105 4.544 306 HE3 LYS 36 1HE LYS 36 4.478 11.232 5.298 307 HZ1 LYS 36 3HZ LYS 36 5.401 13.202 6.105 308 HZ2 LYS 36 1HZ LYS 36 3.741 13.410 6.385 309 HZ3 LYS 36 2HZ LYS 36 4.481 14.181 5.066 310 H ARG 37 H ARG 37 6.056 7.655 1.002 311 HA ARG 37 HA ARG 37 7.945 8.087 -1.137 312 HB2 ARG 37 2HB ARG 37 7.195 5.956 0.809 313 HB3 ARG 37 1HB ARG 37 8.169 5.469 -0.580 314 HG2 ARG 37 2HG ARG 37 9.715 7.409 -0.016 315 HG3 ARG 37 1HG ARG 37 8.832 7.555 1.502 316 HD2 ARG 37 2HD ARG 37 9.343 5.096 1.922 317 HD3 ARG 37 1HD ARG 37 10.446 5.177 0.533 318 HE ARG 37 HE ARG 37 11.002 6.275 3.127 319 HH11 ARG 37 1HH1 ARG 37 11.642 6.443 -0.225 320 HH12 ARG 37 2HH1 ARG 37 12.786 7.737 -0.091 321 HH21 ARG 37 1HH2 ARG 37 12.291 8.179 3.312 322 HH22 ARG 37 2HH2 ARG 37 13.152 8.720 1.910 323 H VAL 38 H VAL 38 4.782 6.782 -1.012 324 HA VAL 38 HA VAL 38 5.116 5.586 -3.731 325 HB VAL 38 HB VAL 38 2.760 4.627 -2.938 326 HG11 VAL 38 1HG1 VAL 38 4.797 3.230 -1.414 327 HG12 VAL 38 2HG1 VAL 38 5.401 3.699 -3.003 328 HG13 VAL 38 3HG1 VAL 38 3.945 2.716 -2.871 329 HG21 VAL 38 3HG2 VAL 38 4.205 5.139 -0.324 330 HG22 VAL 38 1HG2 VAL 38 2.657 4.322 -0.527 331 HG23 VAL 38 2HG2 VAL 38 2.794 6.045 -0.865 332 H GLY 39 H GLY 39 3.893 8.260 -2.087 333 HA2 GLY 39 2HA GLY 39 2.928 10.162 -3.156 334 HA3 GLY 39 1HA GLY 39 2.486 9.141 -4.522 335 H LEU 40 H LEU 40 1.751 8.592 -1.073 336 HA LEU 40 HA LEU 40 -1.102 9.278 -1.546 337 HB2 LEU 40 2HB LEU 40 -1.625 6.935 -0.528 338 HB3 LEU 40 1HB LEU 40 -1.168 7.014 -2.231 339 HG LEU 40 HG LEU 40 1.177 6.849 -0.556 340 HD11 LEU 40 1HD1 LEU 40 -1.109 5.108 0.135 341 HD12 LEU 40 2HD1 LEU 40 0.329 5.503 1.075 342 HD13 LEU 40 3HD1 LEU 40 0.403 4.251 -0.164 343 HD21 LEU 40 3HD2 LEU 40 1.513 6.171 -2.739 344 HD22 LEU 40 1HD2 LEU 40 -0.081 5.430 -2.863 345 HD23 LEU 40 2HD2 LEU 40 1.210 4.602 -1.994 346 H SER 41 H SER 41 -2.317 9.340 0.476 347 HA SER 41 HA SER 41 -0.810 10.327 2.731 348 HB2 SER 41 2HB SER 41 -3.419 9.444 3.471 349 HB3 SER 41 1HB SER 41 -2.898 11.094 3.135 350 HG SER 41 HG SER 41 -3.944 10.978 1.329 351 HA PRO 42 HA PRO 42 0.123 6.600 4.661 352 HB2 PRO 42 2HB PRO 42 0.036 7.313 7.301 353 HB3 PRO 42 1HB PRO 42 1.331 7.818 6.198 354 HG2 PRO 42 2HG PRO 42 -1.040 9.343 7.155 355 HG3 PRO 42 1HG PRO 42 0.617 9.897 6.865 356 HD2 PRO 42 2HD PRO 42 -1.460 10.317 5.127 357 HD3 PRO 42 1HD PRO 42 0.246 10.239 4.633 358 H THR 43 H THR 43 -2.581 8.273 6.328 359 HA THR 43 HA THR 43 -3.875 6.278 7.669 360 HB THR 43 HB THR 43 -4.729 8.546 5.935 361 HG1 THR 43 1HG THR 43 -5.392 7.709 8.560 362 HG21 THR 43 3HG2 THR 43 -6.385 6.938 5.228 363 HG22 THR 43 1HG2 THR 43 -7.150 7.996 6.414 364 HG23 THR 43 2HG2 THR 43 -6.622 6.380 6.885 365 HA PRO 44 HA PRO 44 -5.620 4.290 3.706 366 HB2 PRO 44 2HB PRO 44 -4.825 5.284 1.281 367 HB3 PRO 44 1HB PRO 44 -6.231 5.914 2.161 368 HG2 PRO 44 2HG PRO 44 -3.486 7.036 1.926 369 HG3 PRO 44 1HG PRO 44 -5.045 7.871 1.992 370 HD2 PRO 44 2HD PRO 44 -3.314 7.637 4.124 371 HD3 PRO 44 1HD PRO 44 -5.063 7.906 4.274 372 H CYS 45 H CYS 45 -2.331 5.624 3.144 373 HA CYS 45 HA CYS 45 -1.064 3.645 1.697 374 HB2 CYS 45 2HB CYS 45 -0.076 5.692 2.832 375 HB3 CYS 45 1HB CYS 45 -0.052 4.767 4.332 376 HG CYS 45 HG CYS 45 1.375 3.321 2.050 377 H LEU 46 H LEU 46 -1.615 3.554 5.216 378 HA LEU 46 HA LEU 46 -0.753 0.901 5.700 379 HB2 LEU 46 2HB LEU 46 -3.014 2.537 6.912 380 HB3 LEU 46 1HB LEU 46 -2.237 1.146 7.677 381 HG LEU 46 HG LEU 46 -0.177 2.919 6.836 382 HD11 LEU 46 1HD1 LEU 46 -1.628 4.500 8.806 383 HD12 LEU 46 2HD1 LEU 46 -2.509 4.378 7.284 384 HD13 LEU 46 3HD1 LEU 46 -0.863 5.015 7.300 385 HD21 LEU 46 3HD2 LEU 46 0.232 1.547 8.695 386 HD22 LEU 46 1HD2 LEU 46 -1.311 1.949 9.450 387 HD23 LEU 46 2HD2 LEU 46 -0.002 3.131 9.435 388 H GLU 47 H GLU 47 -3.990 2.179 4.888 389 HA GLU 47 HA GLU 47 -5.501 -0.152 4.752 390 HB2 GLU 47 2HB GLU 47 -5.537 2.512 3.741 391 HB3 GLU 47 1HB GLU 47 -5.982 1.439 2.417 392 HG2 GLU 47 2HG GLU 47 -7.361 0.419 4.620 393 HG3 GLU 47 1HG GLU 47 -7.502 2.169 4.792 394 H ARG 48 H ARG 48 -3.285 1.154 2.288 395 HA ARG 48 HA ARG 48 -3.634 -0.995 0.396 396 HB2 ARG 48 2HB ARG 48 -1.253 0.844 0.777 397 HB3 ARG 48 1HB ARG 48 -1.794 0.103 -0.729 398 HG2 ARG 48 2HG ARG 48 -3.835 1.739 0.658 399 HG3 ARG 48 1HG ARG 48 -2.451 2.641 0.041 400 HD2 ARG 48 2HD ARG 48 -3.291 2.496 -2.052 401 HD3 ARG 48 1HD ARG 48 -3.268 0.725 -1.945 402 HE ARG 48 HE ARG 48 -5.461 1.869 -0.425 403 HH11 ARG 48 1HH2 ARG 48 -5.998 3.141 -3.006 404 HH12 ARG 48 2HH2 ARG 48 -6.861 1.922 -3.883 405 HH21 ARG 48 1HH1 ARG 48 -5.878 -0.660 -1.788 406 HH22 ARG 48 2HH1 ARG 48 -6.795 -0.229 -3.194 407 H VAL 49 H VAL 49 -1.016 -0.221 2.701 408 HA VAL 49 HA VAL 49 0.493 -2.618 2.279 409 HB VAL 49 HB VAL 49 0.261 -0.453 4.352 410 HG11 VAL 49 1HG1 VAL 49 0.906 -1.935 5.959 411 HG12 VAL 49 2HG1 VAL 49 2.475 -1.875 5.161 412 HG13 VAL 49 3HG1 VAL 49 1.341 -3.168 4.777 413 HG21 VAL 49 3HG2 VAL 49 1.655 -0.708 2.024 414 HG22 VAL 49 1HG2 VAL 49 2.845 -1.296 3.186 415 HG23 VAL 49 2HG2 VAL 49 2.162 0.320 3.365 416 H ARG 50 H ARG 50 -1.595 -1.762 5.088 417 HA ARG 50 HA ARG 50 -1.617 -4.120 6.487 418 HB2 ARG 50 2HB ARG 50 -3.508 -1.944 5.932 419 HB3 ARG 50 1HB ARG 50 -4.290 -3.436 6.452 420 HG2 ARG 50 2HG ARG 50 -3.748 -2.868 8.568 421 HG3 ARG 50 1HG ARG 50 -2.066 -3.185 8.134 422 HD2 ARG 50 2HD ARG 50 -2.083 -0.946 8.982 423 HD3 ARG 50 1HD ARG 50 -2.043 -0.764 7.218 424 HE ARG 50 HE ARG 50 -4.237 0.105 7.329 425 HH11 ARG 50 1HH2 ARG 50 -3.449 0.426 10.359 426 HH12 ARG 50 2HH2 ARG 50 -4.918 -0.128 11.091 427 HH21 ARG 50 1HH1 ARG 50 -6.147 -1.547 8.175 428 HH22 ARG 50 2HH1 ARG 50 -6.444 -1.247 9.854 429 H ARG 51 H ARG 51 -3.563 -3.457 3.588 430 HA ARG 51 HA ARG 51 -4.924 -5.916 3.354 431 HB2 ARG 51 2HB ARG 51 -5.429 -4.156 1.835 432 HB3 ARG 51 1HB ARG 51 -3.735 -3.947 1.390 433 HG2 ARG 51 2HG ARG 51 -5.032 -6.598 0.872 434 HG3 ARG 51 1HG ARG 51 -5.398 -5.256 -0.212 435 HD2 ARG 51 2HD ARG 51 -2.620 -5.120 0.103 436 HD3 ARG 51 1HD ARG 51 -2.962 -6.855 -0.040 437 HE ARG 51 HE ARG 51 -3.433 -6.402 -2.306 438 HH11 ARG 51 1HH1 ARG 51 -3.572 -3.497 -0.524 439 HH12 ARG 51 2HH1 ARG 51 -4.497 -2.637 -1.709 440 HH21 ARG 51 1HH2 ARG 51 -4.937 -5.403 -3.757 441 HH22 ARG 51 2HH2 ARG 51 -5.272 -3.718 -3.539 442 H LEU 52 H LEU 52 -1.670 -5.006 2.189 443 HA LEU 52 HA LEU 52 -0.959 -7.567 1.118 444 HB2 LEU 52 2HB LEU 52 0.525 -5.173 2.206 445 HB3 LEU 52 1HB LEU 52 1.393 -6.580 1.594 446 HG LEU 52 HG LEU 52 -0.779 -5.388 -0.090 447 HD11 LEU 52 1HD1 LEU 52 1.422 -4.126 -1.062 448 HD12 LEU 52 2HD1 LEU 52 1.780 -4.092 0.665 449 HD13 LEU 52 3HD1 LEU 52 0.289 -3.371 0.059 450 HD21 LEU 52 3HD2 LEU 52 0.923 -6.097 -1.860 451 HD22 LEU 52 1HD2 LEU 52 0.212 -7.406 -0.917 452 HD23 LEU 52 2HD2 LEU 52 1.841 -6.836 -0.547 453 H GLU 53 H GLU 53 -0.998 -6.259 4.368 454 HA GLU 53 HA GLU 53 0.733 -8.167 5.642 455 HB2 GLU 53 2HB GLU 53 -0.825 -5.898 6.263 456 HB3 GLU 53 1HB GLU 53 -1.452 -7.190 7.289 457 HG2 GLU 53 2HG GLU 53 1.320 -7.508 7.407 458 HG3 GLU 53 1HG GLU 53 1.080 -5.761 7.466 459 H ARG 54 H ARG 54 -2.854 -7.989 5.612 460 HA ARG 54 HA ARG 54 -3.502 -10.358 6.900 461 HB2 ARG 54 2HB ARG 54 -4.702 -9.119 4.400 462 HB3 ARG 54 1HB ARG 54 -5.523 -10.307 5.412 463 HG2 ARG 54 2HG ARG 54 -5.811 -8.821 7.166 464 HG3 ARG 54 1HG ARG 54 -4.396 -7.865 6.725 465 HD2 ARG 54 2HD ARG 54 -6.527 -6.648 6.240 466 HD3 ARG 54 1HD ARG 54 -5.608 -6.971 4.756 467 HE ARG 54 HE ARG 54 -7.500 -9.093 5.496 468 HH11 ARG 54 1HH2 ARG 54 -8.860 -6.354 4.990 469 HH12 ARG 54 2HH2 ARG 54 -9.284 -6.526 3.319 470 HH21 ARG 54 1HH1 ARG 54 -7.208 -9.252 2.798 471 HH22 ARG 54 2HH1 ARG 54 -8.350 -8.167 2.079 472 H GLN 55 H GLN 55 -2.023 -10.001 3.746 473 HA GLN 55 HA GLN 55 -2.492 -12.858 3.078 474 HB2 GLN 55 2HB GLN 55 -1.132 -10.578 1.605 475 HB3 GLN 55 1HB GLN 55 -1.509 -12.157 0.916 476 HG2 GLN 55 2HG GLN 55 -3.841 -10.956 2.185 477 HG3 GLN 55 1HG GLN 55 -3.181 -9.918 0.921 478 HE21 GLN 55 1HE2 GLN 55 -4.398 -10.336 -0.941 479 HE22 GLN 55 2HE2 GLN 55 -4.775 -11.886 -1.522 480 H GLY 56 H GLY 56 -0.356 -11.255 4.980 481 HA2 GLY 56 2HA GLY 56 1.679 -11.996 5.917 482 HA3 GLY 56 1HA GLY 56 1.605 -13.399 4.852 483 H PHE 57 H PHE 57 1.632 -9.924 4.023 484 HA PHE 57 HA PHE 57 4.109 -10.459 2.415 485 HB2 PHE 57 2HB PHE 57 1.854 -8.466 2.007 486 HB3 PHE 57 1HB PHE 57 3.229 -8.685 0.926 487 HD1 PHE 57 1HD PHE 57 3.220 -11.824 1.539 488 HD2 PHE 57 2HD PHE 57 0.298 -9.003 0.142 489 HE1 PHE 57 1HE PHE 57 2.018 -13.649 0.371 490 HE2 PHE 57 2HE PHE 57 -0.907 -10.829 -1.025 491 HZ PHE 57 HZ PHE 57 -0.048 -13.152 -0.910 492 H ILE 58 H ILE 58 3.078 -9.012 5.198 493 HA ILE 58 HA ILE 58 5.299 -7.017 5.090 494 HB ILE 58 HB ILE 58 2.659 -6.408 6.399 495 HG12 ILE 58 2HG1 ILE 58 2.235 -7.091 4.015 496 HG13 ILE 58 1HG1 ILE 58 1.860 -5.398 4.332 497 HG21 ILE 58 1HG2 ILE 58 4.536 -4.926 6.869 498 HG22 ILE 58 2HG2 ILE 58 3.386 -4.086 5.828 499 HG23 ILE 58 3HG2 ILE 58 4.870 -4.755 5.144 500 HD11 ILE 58 3HD1 ILE 58 3.399 -4.709 2.837 501 HD12 ILE 58 1HD1 ILE 58 3.604 -6.396 2.360 502 HD13 ILE 58 2HD1 ILE 58 4.649 -5.696 3.598 503 H GLN 59 H GLN 59 5.705 -9.412 6.294 504 HA GLN 59 HA GLN 59 5.049 -9.155 9.178 505 HB2 GLN 59 2HB GLN 59 5.900 -11.440 9.267 506 HB3 GLN 59 1HB GLN 59 4.823 -11.298 7.876 507 HG2 GLN 59 2HG GLN 59 6.858 -10.834 6.454 508 HG3 GLN 59 1HG GLN 59 7.852 -11.231 7.856 509 HE21 GLN 59 1HE2 GLN 59 6.098 -12.582 5.204 510 HE22 GLN 59 2HE2 GLN 59 6.244 -14.213 5.656 511 H GLY 60 H GLY 60 7.573 -8.514 6.954 512 HA2 GLY 60 2HA GLY 60 9.464 -8.041 9.222 513 HA3 GLY 60 1HA GLY 60 10.012 -8.606 7.642 514 H TYR 61 H TYR 61 8.274 -6.958 6.064 515 HA TYR 61 HA TYR 61 9.802 -4.584 5.777 516 HB2 TYR 61 2HB TYR 61 6.928 -5.205 5.033 517 HB3 TYR 61 1HB TYR 61 7.905 -3.921 4.323 518 HD1 TYR 61 2HD TYR 61 10.556 -5.455 4.302 519 HD2 TYR 61 1HD TYR 61 6.589 -6.529 3.047 520 HE1 TYR 61 2HE TYR 61 11.507 -7.077 2.684 521 HE2 TYR 61 1HE TYR 61 7.541 -8.149 1.428 522 HH TYR 61 HH TYR 61 9.698 -8.473 0.201 523 H THR 62 H THR 62 6.714 -3.388 5.876 524 HA THR 62 HA THR 62 7.300 -1.892 8.349 525 HB THR 62 HB THR 62 6.488 -0.921 6.150 526 HG1 THR 62 1HG THR 62 4.906 0.413 7.263 527 HG21 THR 62 3HG2 THR 62 3.968 -1.043 5.873 528 HG22 THR 62 1HG2 THR 62 3.996 -2.376 7.025 529 HG23 THR 62 2HG2 THR 62 4.843 -2.524 5.487 530 H ALA 63 H ALA 63 6.488 -4.799 8.322 531 HA ALA 63 HA ALA 63 3.932 -5.469 9.010 532 HB1 ALA 63 1HB ALA 63 5.968 -6.239 11.027 533 HB2 ALA 63 2HB ALA 63 6.423 -6.535 9.349 534 HB3 ALA 63 3HB ALA 63 4.959 -7.264 10.006 535 H LEU 64 H LEU 64 6.078 -3.354 10.829 536 HA LEU 64 HA LEU 64 4.767 -3.219 13.325 537 HB2 LEU 64 2HB LEU 64 5.783 -0.897 13.323 538 HB3 LEU 64 1HB LEU 64 6.910 -2.176 12.882 539 HG LEU 64 HG LEU 64 5.844 -1.535 10.438 540 HD11 LEU 64 1HD1 LEU 64 5.017 0.541 12.120 541 HD12 LEU 64 2HD1 LEU 64 5.063 0.580 10.357 542 HD13 LEU 64 3HD1 LEU 64 6.430 1.189 11.289 543 HD21 LEU 64 3HD2 LEU 64 8.252 -0.407 11.892 544 HD22 LEU 64 1HD2 LEU 64 7.974 -0.178 10.165 545 HD23 LEU 64 2HD2 LEU 64 8.207 -1.802 10.813 546 H LEU 65 H LEU 65 4.004 -1.697 10.265 547 HA LEU 65 HA LEU 65 2.031 0.142 11.233 548 HB2 LEU 65 2HB LEU 65 1.850 0.657 8.983 549 HB3 LEU 65 1HB LEU 65 3.369 -0.232 8.931 550 HG LEU 65 HG LEU 65 2.063 -1.162 7.178 551 HD11 LEU 65 1HD1 LEU 65 1.114 -3.315 8.776 552 HD12 LEU 65 2HD1 LEU 65 2.596 -2.731 9.518 553 HD13 LEU 65 3HD1 LEU 65 2.602 -3.242 7.836 554 HD21 LEU 65 3HD2 LEU 65 -0.106 -0.285 8.748 555 HD22 LEU 65 1HD2 LEU 65 -0.308 -2.030 8.587 556 HD23 LEU 65 2HD2 LEU 65 -0.181 -1.021 7.148 557 H ASN 66 H ASN 66 1.976 -3.210 11.191 558 HA ASN 66 HA ASN 66 -0.686 -3.833 10.369 559 HB2 ASN 66 2HB ASN 66 -0.249 -5.909 11.521 560 HB3 ASN 66 1HB ASN 66 1.292 -5.363 10.858 561 HD21 ASN 66 1HD2 ASN 66 1.457 -7.089 13.014 562 HD22 ASN 66 2HD2 ASN 66 1.917 -6.251 14.417 Start of MODEL 3 1 H1 MET 1 1HT MET 1 10.505 -18.363 -2.350 2 H2 MET 1 2HT MET 1 11.885 -19.235 -1.876 3 H3 MET 1 3HT MET 1 11.419 -19.200 -3.509 4 HA MET 1 HA MET 1 11.857 -16.579 -2.366 5 HB2 MET 1 2HB MET 1 13.478 -18.150 -1.192 6 HB3 MET 1 1HB MET 1 14.169 -18.499 -2.776 7 HG2 MET 1 2HG MET 1 13.884 -15.632 -2.340 8 HG3 MET 1 1HG MET 1 14.885 -16.384 -1.097 9 HE1 MET 1 2HE MET 1 16.204 -14.538 -2.091 10 HE2 MET 1 3HE MET 1 17.369 -14.730 -3.401 11 HE3 MET 1 1HE MET 1 17.576 -15.627 -1.891 12 H VAL 2 H VAL 2 10.534 -17.177 -4.665 13 HA VAL 2 HA VAL 2 12.559 -16.600 -6.802 14 HB VAL 2 HB VAL 2 11.207 -18.044 -8.280 15 HG11 VAL 2 1HG1 VAL 2 12.979 -18.903 -6.500 16 HG12 VAL 2 2HG1 VAL 2 12.045 -20.047 -7.465 17 HG13 VAL 2 3HG1 VAL 2 11.563 -19.694 -5.806 18 HG21 VAL 2 3HG2 VAL 2 9.003 -18.040 -7.635 19 HG22 VAL 2 1HG2 VAL 2 9.398 -17.958 -5.918 20 HG23 VAL 2 2HG2 VAL 2 9.502 -19.496 -6.773 21 H ASP 3 H ASP 3 10.200 -15.226 -5.070 22 HA ASP 3 HA ASP 3 9.360 -13.479 -7.327 23 HB2 ASP 3 2HB ASP 3 7.795 -15.549 -6.186 24 HB3 ASP 3 1HB ASP 3 7.127 -14.033 -5.580 25 H SER 4 H SER 4 11.203 -12.861 -5.266 26 HA SER 4 HA SER 4 10.327 -11.723 -2.886 27 HB2 SER 4 2HB SER 4 12.158 -10.024 -4.442 28 HB3 SER 4 1HB SER 4 12.438 -10.862 -2.919 29 HG SER 4 HG SER 4 13.236 -11.550 -5.351 30 H LYS 5 H LYS 5 10.157 -9.213 -2.523 31 HA LYS 5 HA LYS 5 8.845 -7.268 -2.821 32 HB2 LYS 5 2HB LYS 5 10.413 -7.750 -5.045 33 HB3 LYS 5 1HB LYS 5 8.810 -7.564 -5.754 34 HG2 LYS 5 2HG LYS 5 9.451 -5.343 -5.681 35 HG3 LYS 5 1HG LYS 5 8.714 -5.483 -4.084 36 HD2 LYS 5 2HD LYS 5 10.692 -4.808 -3.228 37 HD3 LYS 5 1HD LYS 5 11.342 -6.373 -3.718 38 HE2 LYS 5 2HE LYS 5 12.100 -5.486 -5.834 39 HE3 LYS 5 1HE LYS 5 11.236 -3.961 -5.562 40 HZ1 LYS 5 3HZ LYS 5 12.650 -3.357 -3.856 41 HZ2 LYS 5 1HZ LYS 5 13.726 -4.109 -4.931 42 HZ3 LYS 5 2HZ LYS 5 13.167 -4.949 -3.564 43 H LYS 6 H LYS 6 7.144 -7.065 -5.380 44 HA LYS 6 HA LYS 6 4.606 -7.584 -4.544 45 HB2 LYS 6 2HB LYS 6 4.070 -7.967 -6.932 46 HB3 LYS 6 1HB LYS 6 5.276 -6.692 -6.755 47 HG2 LYS 6 2HG LYS 6 6.903 -8.855 -6.920 48 HG3 LYS 6 1HG LYS 6 5.554 -9.410 -7.911 49 HD2 LYS 6 2HD LYS 6 6.766 -8.280 -9.521 50 HD3 LYS 6 1HD LYS 6 5.763 -6.956 -8.929 51 HE2 LYS 6 2HE LYS 6 7.819 -5.924 -8.705 52 HE3 LYS 6 1HE LYS 6 7.825 -6.803 -7.163 53 HZ1 LYS 6 3HZ LYS 6 8.984 -8.601 -8.140 54 HZ2 LYS 6 1HZ LYS 6 9.816 -7.202 -8.615 55 HZ3 LYS 6 2HZ LYS 6 8.781 -7.986 -9.710 56 H ARG 7 H ARG 7 4.315 -9.390 -3.170 57 HA ARG 7 HA ARG 7 5.241 -12.045 -3.782 58 HB2 ARG 7 2HB ARG 7 3.646 -10.616 -1.782 59 HB3 ARG 7 1HB ARG 7 3.096 -12.272 -2.041 60 HG2 ARG 7 2HG ARG 7 6.006 -12.096 -1.928 61 HG3 ARG 7 1HG ARG 7 5.251 -11.491 -0.454 62 HD2 ARG 7 2HD ARG 7 3.808 -13.824 -1.113 63 HD3 ARG 7 1HD ARG 7 5.520 -14.234 -1.341 64 HE ARG 7 HE ARG 7 4.962 -12.699 1.098 65 HH11 ARG 7 1HH1 ARG 7 5.112 -15.804 -0.396 66 HH12 ARG 7 2HH1 ARG 7 5.524 -16.635 1.066 67 HH21 ARG 7 1HH2 ARG 7 5.556 -13.761 3.006 68 HH22 ARG 7 2HH2 ARG 7 5.773 -15.479 2.992 69 HA PRO 8 HA PRO 8 0.772 -12.956 -5.130 70 HB2 PRO 8 2HB PRO 8 -1.023 -10.890 -5.190 71 HB3 PRO 8 1HB PRO 8 -0.745 -11.887 -3.749 72 HG2 PRO 8 2HG PRO 8 0.280 -9.168 -4.397 73 HG3 PRO 8 1HG PRO 8 -0.256 -9.831 -2.846 74 HD2 PRO 8 2HD PRO 8 2.377 -9.546 -3.550 75 HD3 PRO 8 1HD PRO 8 1.788 -10.756 -2.391 76 H GLY 9 H GLY 9 1.869 -9.689 -6.002 77 HA2 GLY 9 2HA GLY 9 2.144 -8.675 -8.099 78 HA3 GLY 9 1HA GLY 9 2.373 -10.310 -8.722 79 H LYS 10 H LYS 10 1.071 -10.320 -10.535 80 HA LYS 10 HA LYS 10 -0.894 -10.043 -11.848 81 HB2 LYS 10 2HB LYS 10 -1.101 -11.955 -9.983 82 HB3 LYS 10 1HB LYS 10 -2.394 -10.902 -9.406 83 HG2 LYS 10 2HG LYS 10 -3.662 -12.038 -10.923 84 HG3 LYS 10 1HG LYS 10 -2.923 -10.932 -12.081 85 HD2 LYS 10 2HD LYS 10 -1.146 -12.564 -12.537 86 HD3 LYS 10 1HD LYS 10 -1.836 -13.665 -11.345 87 HE2 LYS 10 2HE LYS 10 -2.718 -14.467 -13.395 88 HE3 LYS 10 1HE LYS 10 -4.025 -13.437 -12.779 89 HZ1 LYS 10 3HZ LYS 10 -1.849 -12.289 -14.407 90 HZ2 LYS 10 1HZ LYS 10 -3.417 -11.693 -14.155 91 HZ3 LYS 10 2HZ LYS 10 -3.173 -13.037 -15.165 92 H ASP 11 H ASP 11 -3.539 -9.628 -10.356 93 HA ASP 11 HA ASP 11 -3.827 -6.826 -10.727 94 HB2 ASP 11 2HB ASP 11 -5.896 -7.265 -9.265 95 HB3 ASP 11 1HB ASP 11 -5.735 -8.266 -10.708 96 H LEU 12 H LEU 12 -2.320 -5.548 -9.600 97 HA LEU 12 HA LEU 12 -2.586 -5.578 -6.621 98 HB2 LEU 12 2HB LEU 12 -0.393 -6.472 -8.174 99 HB3 LEU 12 1HB LEU 12 0.092 -4.921 -7.488 100 HG LEU 12 HG LEU 12 -1.188 -7.093 -5.822 101 HD11 LEU 12 1HD1 LEU 12 0.830 -8.077 -6.688 102 HD12 LEU 12 2HD1 LEU 12 1.189 -7.530 -5.051 103 HD13 LEU 12 3HD1 LEU 12 1.735 -6.584 -6.436 104 HD21 LEU 12 3HD2 LEU 12 0.125 -5.773 -4.044 105 HD22 LEU 12 1HD2 LEU 12 -1.288 -4.978 -4.737 106 HD23 LEU 12 2HD2 LEU 12 0.329 -4.533 -5.283 107 H ASP 13 H ASP 13 -3.163 -3.543 -5.980 108 HA ASP 13 HA ASP 13 -3.267 -1.268 -7.685 109 HB2 ASP 13 2HB ASP 13 -3.507 -0.084 -5.436 110 HB3 ASP 13 1HB ASP 13 -4.608 -1.439 -5.688 111 H ARG 14 H ARG 14 -1.744 0.261 -8.209 112 HA ARG 14 HA ARG 14 0.996 -0.144 -8.011 113 HB2 ARG 14 2HB ARG 14 -0.104 1.517 -9.444 114 HB3 ARG 14 1HB ARG 14 -0.576 2.451 -8.023 115 HG2 ARG 14 2HG ARG 14 1.508 3.278 -9.239 116 HG3 ARG 14 1HG ARG 14 1.699 2.992 -7.508 117 HD2 ARG 14 2HD ARG 14 3.174 1.280 -7.842 118 HD3 ARG 14 1HD ARG 14 2.235 0.621 -9.197 119 HE ARG 14 HE ARG 14 3.310 3.102 -10.047 120 HH11 ARG 14 1HH2 ARG 14 5.345 1.320 -8.287 121 HH12 ARG 14 2HH2 ARG 14 6.340 0.744 -9.581 122 HH21 ARG 14 1HH1 ARG 14 4.167 1.789 -12.072 123 HH22 ARG 14 2HH1 ARG 14 5.674 1.009 -11.724 124 H ILE 15 H ILE 15 -1.165 0.944 -5.515 125 HA ILE 15 HA ILE 15 0.816 2.241 -3.838 126 HB ILE 15 HB ILE 15 -1.790 0.959 -2.999 127 HG12 ILE 15 2HG1 ILE 15 -2.393 2.180 -4.961 128 HG13 ILE 15 1HG1 ILE 15 -2.753 3.261 -3.614 129 HG21 ILE 15 1HG2 ILE 15 0.147 2.818 -1.856 130 HG22 ILE 15 2HG2 ILE 15 -1.171 1.955 -1.069 131 HG23 ILE 15 3HG2 ILE 15 -1.482 3.492 -1.874 132 HD11 ILE 15 3HD1 ILE 15 -1.488 4.778 -4.726 133 HD12 ILE 15 1HD1 ILE 15 -0.763 3.544 -5.758 134 HD13 ILE 15 2HD1 ILE 15 -0.110 3.843 -4.148 135 H ASP 16 H ASP 16 -0.687 -1.006 -3.829 136 HA ASP 16 HA ASP 16 0.807 -1.947 -1.536 137 HB2 ASP 16 2HB ASP 16 -0.859 -3.116 -3.751 138 HB3 ASP 16 1HB ASP 16 0.034 -4.195 -2.681 139 H ARG 17 H ARG 17 1.331 -2.059 -5.046 140 HA ARG 17 HA ARG 17 3.593 -3.839 -4.976 141 HB2 ARG 17 2HB ARG 17 2.030 -2.290 -6.841 142 HB3 ARG 17 1HB ARG 17 3.746 -2.083 -7.191 143 HG2 ARG 17 2HG ARG 17 3.836 -4.691 -6.897 144 HG3 ARG 17 1HG ARG 17 2.102 -4.595 -7.209 145 HD2 ARG 17 2HD ARG 17 2.842 -3.083 -9.246 146 HD3 ARG 17 1HD ARG 17 4.391 -3.926 -9.040 147 HE ARG 17 HE ARG 17 2.459 -5.935 -8.893 148 HH11 ARG 17 1HH1 ARG 17 3.277 -3.423 -11.112 149 HH12 ARG 17 2HH1 ARG 17 2.837 -4.337 -12.515 150 HH21 ARG 17 1HH2 ARG 17 1.943 -7.165 -10.719 151 HH22 ARG 17 2HH2 ARG 17 2.080 -6.456 -12.293 152 H ASN 18 H ASN 18 3.569 -0.360 -5.719 153 HA ASN 18 HA ASN 18 6.324 0.106 -5.417 154 HB2 ASN 18 2HB ASN 18 3.931 1.557 -5.801 155 HB3 ASN 18 1HB ASN 18 4.699 2.285 -4.391 156 HD21 ASN 18 1HD2 ASN 18 4.508 3.600 -6.989 157 HD22 ASN 18 2HD2 ASN 18 6.090 3.806 -7.567 158 H ILE 19 H ILE 19 3.832 -0.365 -3.013 159 HA ILE 19 HA ILE 19 5.294 0.694 -0.762 160 HB ILE 19 HB ILE 19 2.884 -0.985 -1.309 161 HG12 ILE 19 2HG1 ILE 19 3.328 1.312 0.619 162 HG13 ILE 19 1HG1 ILE 19 2.931 1.546 -1.083 163 HG21 ILE 19 1HG2 ILE 19 4.093 -0.753 1.464 164 HG22 ILE 19 2HG2 ILE 19 4.131 -2.220 0.484 165 HG23 ILE 19 3HG2 ILE 19 2.589 -1.567 1.032 166 HD11 ILE 19 3HD1 ILE 19 1.092 -0.365 -0.104 167 HD12 ILE 19 1HD1 ILE 19 0.757 1.306 -0.560 168 HD13 ILE 19 2HD1 ILE 19 1.166 0.912 1.110 169 H LEU 20 H LEU 20 4.816 -2.615 -2.059 170 HA LEU 20 HA LEU 20 6.507 -3.931 -0.139 171 HB2 LEU 20 2HB LEU 20 5.725 -4.568 -3.011 172 HB3 LEU 20 1HB LEU 20 6.486 -5.719 -1.913 173 HG LEU 20 HG LEU 20 3.942 -4.282 -1.156 174 HD11 LEU 20 1HD1 LEU 20 2.886 -6.554 -1.869 175 HD12 LEU 20 2HD1 LEU 20 4.324 -6.727 -2.877 176 HD13 LEU 20 3HD1 LEU 20 3.233 -5.363 -3.124 177 HD21 LEU 20 3HD2 LEU 20 4.130 -5.527 0.714 178 HD22 LEU 20 1HD2 LEU 20 5.715 -6.055 0.148 179 HD23 LEU 20 2HD2 LEU 20 4.280 -7.005 -0.239 180 H ASN 21 H ASN 21 7.122 -2.272 -3.211 181 HA ASN 21 HA ASN 21 9.885 -3.108 -3.484 182 HB2 ASN 21 2HB ASN 21 8.402 -2.232 -5.299 183 HB3 ASN 21 1HB ASN 21 8.404 -0.656 -4.506 184 HD21 ASN 21 1HD2 ASN 21 9.449 0.124 -6.589 185 HD22 ASN 21 2HD2 ASN 21 11.123 -0.081 -6.782 186 H GLU 22 H GLU 22 8.198 -0.569 -1.739 187 HA GLU 22 HA GLU 22 10.593 0.990 -1.141 188 HB2 GLU 22 2HB GLU 22 7.738 0.910 -0.125 189 HB3 GLU 22 1HB GLU 22 8.923 2.084 0.452 190 HG2 GLU 22 2HG GLU 22 8.839 1.900 -2.471 191 HG3 GLU 22 1HG GLU 22 7.301 2.402 -1.771 192 H LEU 23 H LEU 23 8.674 -1.518 0.469 193 HA LEU 23 HA LEU 23 10.010 -1.348 3.024 194 HB2 LEU 23 2HB LEU 23 8.172 -3.153 1.538 195 HB3 LEU 23 1HB LEU 23 9.084 -3.897 2.852 196 HG LEU 23 HG LEU 23 6.984 -3.040 3.738 197 HD11 LEU 23 1HD1 LEU 23 7.871 -1.931 5.583 198 HD12 LEU 23 2HD1 LEU 23 8.979 -0.974 4.601 199 HD13 LEU 23 3HD1 LEU 23 9.319 -2.676 4.908 200 HD21 LEU 23 3HD2 LEU 23 7.506 -0.927 1.877 201 HD22 LEU 23 1HD2 LEU 23 7.353 -0.224 3.487 202 HD23 LEU 23 2HD2 LEU 23 6.048 -1.209 2.827 203 H GLN 24 H GLN 24 10.593 -3.160 0.034 204 HA GLN 24 HA GLN 24 12.757 -4.773 1.120 205 HB2 GLN 24 2HB GLN 24 11.666 -4.083 -1.611 206 HB3 GLN 24 1HB GLN 24 13.112 -5.077 -1.437 207 HG2 GLN 24 2HG GLN 24 11.243 -6.125 0.395 208 HG3 GLN 24 1HG GLN 24 10.342 -5.831 -1.093 209 HE21 GLN 24 1HE2 GLN 24 10.819 -8.497 -0.296 210 HE22 GLN 24 2HE2 GLN 24 11.937 -9.208 -1.356 211 H LYS 25 H LYS 25 12.513 -1.709 -0.676 212 HA LYS 25 HA LYS 25 15.402 -1.406 -0.978 213 HB2 LYS 25 2HB LYS 25 14.787 0.505 -2.169 214 HB3 LYS 25 1HB LYS 25 13.296 -0.428 -2.281 215 HG2 LYS 25 2HG LYS 25 12.365 0.777 -0.363 216 HG3 LYS 25 1HG LYS 25 13.871 1.671 -0.168 217 HD2 LYS 25 2HD LYS 25 13.463 2.331 -2.685 218 HD3 LYS 25 1HD LYS 25 11.789 1.915 -2.315 219 HE2 LYS 25 2HE LYS 25 11.541 3.949 -1.349 220 HE3 LYS 25 1HE LYS 25 12.763 3.494 -0.145 221 HZ1 LYS 25 3HZ LYS 25 14.460 4.017 -1.895 222 HZ2 LYS 25 1HZ LYS 25 13.618 5.364 -1.299 223 HZ3 LYS 25 2HZ LYS 25 13.213 4.714 -2.815 224 H ASP 26 H ASP 26 12.932 -0.255 1.267 225 HA ASP 26 HA ASP 26 15.137 0.852 2.959 226 HB2 ASP 26 2HB ASP 26 12.769 2.022 1.839 227 HB3 ASP 26 1HB ASP 26 12.592 1.995 3.596 228 H GLY 27 H GLY 27 15.127 -1.461 3.835 229 HA2 GLY 27 2HA GLY 27 12.818 -2.482 5.222 230 HA3 GLY 27 1HA GLY 27 14.477 -3.038 5.453 231 H ARG 28 H ARG 28 12.681 -0.001 6.092 232 HA ARG 28 HA ARG 28 13.018 -0.178 8.958 233 HB2 ARG 28 2HB ARG 28 14.784 1.527 9.158 234 HB3 ARG 28 1HB ARG 28 15.364 0.176 8.187 235 HG2 ARG 28 2HG ARG 28 14.007 2.348 6.690 236 HG3 ARG 28 1HG ARG 28 15.570 2.761 7.397 237 HD2 ARG 28 2HD ARG 28 15.490 0.128 6.039 238 HD3 ARG 28 1HD ARG 28 15.304 1.533 4.972 239 HE ARG 28 HE ARG 28 17.394 2.032 6.880 240 HH11 ARG 28 1HH1 ARG 28 17.383 2.429 3.824 241 HH12 ARG 28 2HH1 ARG 28 18.675 1.372 3.362 242 HH21 ARG 28 1HH2 ARG 28 18.744 -0.301 6.398 243 HH22 ARG 28 2HH2 ARG 28 19.447 -0.173 4.820 244 H ILE 29 H ILE 29 10.939 0.516 7.020 245 HA ILE 29 HA ILE 29 10.439 3.368 7.803 246 HB ILE 29 HB ILE 29 10.961 2.821 5.367 247 HG12 ILE 29 2HG1 ILE 29 8.183 3.912 5.913 248 HG13 ILE 29 1HG1 ILE 29 9.673 4.837 6.106 249 HG21 ILE 29 1HG2 ILE 29 9.033 1.808 4.109 250 HG22 ILE 29 2HG2 ILE 29 8.298 1.403 5.660 251 HG23 ILE 29 3HG2 ILE 29 9.839 0.680 5.200 252 HD11 ILE 29 3HD1 ILE 29 8.192 4.625 3.765 253 HD12 ILE 29 1HD1 ILE 29 9.524 3.497 3.511 254 HD13 ILE 29 2HD1 ILE 29 9.860 5.188 3.881 255 H SER 30 H SER 30 8.228 3.889 8.308 256 HA SER 30 HA SER 30 6.668 1.537 9.250 257 HB2 SER 30 2HB SER 30 7.032 4.391 9.980 258 HB3 SER 30 1HB SER 30 5.418 3.735 10.241 259 HG SER 30 HG SER 30 6.227 2.856 11.955 260 H ASN 31 H ASN 31 5.131 4.603 8.614 261 HA ASN 31 HA ASN 31 3.832 3.512 6.149 262 HB2 ASN 31 2HB ASN 31 1.674 3.812 7.088 263 HB3 ASN 31 1HB ASN 31 2.607 3.123 8.415 264 HD21 ASN 31 1HD2 ASN 31 3.466 4.708 10.063 265 HD22 ASN 31 2HD2 ASN 31 2.629 6.163 10.318 266 H VAL 32 H VAL 32 4.152 6.372 8.297 267 HA VAL 32 HA VAL 32 3.187 8.392 6.649 268 HB VAL 32 HB VAL 32 5.611 8.200 8.456 269 HG11 VAL 32 1HG1 VAL 32 4.577 10.530 6.855 270 HG12 VAL 32 2HG1 VAL 32 6.244 10.018 7.113 271 HG13 VAL 32 3HG1 VAL 32 5.350 10.800 8.416 272 HG21 VAL 32 3HG2 VAL 32 3.165 8.042 9.276 273 HG22 VAL 32 1HG2 VAL 32 3.048 9.751 8.854 274 HG23 VAL 32 2HG2 VAL 32 4.206 9.222 10.074 275 H GLU 33 H GLU 33 6.655 7.467 6.698 276 HA GLU 33 HA GLU 33 7.287 8.717 4.196 277 HB2 GLU 33 2HB GLU 33 8.786 7.866 6.124 278 HB3 GLU 33 1HB GLU 33 8.615 6.272 5.391 279 HG2 GLU 33 2HG GLU 33 10.530 7.015 4.315 280 HG3 GLU 33 1HG GLU 33 9.297 7.579 3.187 281 H LEU 34 H LEU 34 5.893 5.633 5.079 282 HA LEU 34 HA LEU 34 6.249 4.327 2.510 283 HB2 LEU 34 2HB LEU 34 5.439 3.695 5.114 284 HB3 LEU 34 1HB LEU 34 3.988 3.466 4.138 285 HG LEU 34 HG LEU 34 6.707 2.265 3.532 286 HD11 LEU 34 1HD1 LEU 34 6.079 0.778 5.128 287 HD12 LEU 34 2HD1 LEU 34 4.904 0.212 3.941 288 HD13 LEU 34 3HD1 LEU 34 4.426 1.390 5.165 289 HD21 LEU 34 3HD2 LEU 34 4.588 0.961 2.173 290 HD22 LEU 34 1HD2 LEU 34 5.868 1.946 1.465 291 HD23 LEU 34 2HD2 LEU 34 4.341 2.691 1.938 292 H SER 35 H SER 35 4.154 6.743 3.748 293 HA SER 35 HA SER 35 1.945 6.218 1.869 294 HB2 SER 35 2HB SER 35 0.832 7.824 3.150 295 HB3 SER 35 1HB SER 35 1.947 7.119 4.324 296 HG SER 35 HG SER 35 2.536 9.135 4.545 297 H LYS 36 H LYS 36 4.601 8.547 2.291 298 HA LYS 36 HA LYS 36 3.743 10.203 0.026 299 HB2 LYS 36 2HB LYS 36 5.678 10.215 2.226 300 HB3 LYS 36 1HB LYS 36 6.345 10.881 0.736 301 HG2 LYS 36 2HG LYS 36 4.690 12.559 0.604 302 HG3 LYS 36 1HG LYS 36 3.624 11.720 1.730 303 HD2 LYS 36 2HD LYS 36 6.229 12.289 2.919 304 HD3 LYS 36 1HD LYS 36 5.414 13.759 2.378 305 HE2 LYS 36 2HE LYS 36 3.413 12.171 3.608 306 HE3 LYS 36 1HE LYS 36 4.820 12.136 4.689 307 HZ1 LYS 36 3HZ LYS 36 3.288 14.445 3.708 308 HZ2 LYS 36 1HZ LYS 36 4.940 14.645 4.038 309 HZ3 LYS 36 2HZ LYS 36 3.884 14.136 5.268 310 H ARG 37 H ARG 37 6.580 8.096 0.675 311 HA ARG 37 HA ARG 37 7.853 8.348 -1.820 312 HB2 ARG 37 2HB ARG 37 7.578 5.994 0.070 313 HB3 ARG 37 1HB ARG 37 8.780 6.090 -1.217 314 HG2 ARG 37 2HG ARG 37 9.441 8.355 -0.133 315 HG3 ARG 37 1HG ARG 37 8.558 7.766 1.276 316 HD2 ARG 37 2HD ARG 37 10.628 6.868 1.786 317 HD3 ARG 37 1HD ARG 37 10.051 5.568 0.724 318 HE ARG 37 HE ARG 37 11.199 6.793 -1.163 319 HH11 ARG 37 1HH2 ARG 37 12.571 6.361 1.860 320 HH12 ARG 37 2HH2 ARG 37 13.896 7.450 1.615 321 HH21 ARG 37 1HH1 ARG 37 12.672 8.679 -1.389 322 HH22 ARG 37 2HH1 ARG 37 13.953 8.762 -0.225 323 H VAL 38 H VAL 38 4.885 6.849 -1.053 324 HA VAL 38 HA VAL 38 4.877 5.256 -3.554 325 HB VAL 38 HB VAL 38 2.731 4.390 -2.493 326 HG11 VAL 38 1HG1 VAL 38 5.487 4.146 -1.384 327 HG12 VAL 38 2HG1 VAL 38 4.439 2.905 -2.072 328 HG13 VAL 38 3HG1 VAL 38 4.176 3.466 -0.421 329 HG21 VAL 38 3HG2 VAL 38 3.748 5.871 -0.065 330 HG22 VAL 38 1HG2 VAL 38 2.215 5.026 -0.253 331 HG23 VAL 38 2HG2 VAL 38 2.506 6.535 -1.116 332 H GLY 39 H GLY 39 3.611 8.137 -2.135 333 HA2 GLY 39 2HA GLY 39 2.661 9.923 -3.435 334 HA3 GLY 39 1HA GLY 39 2.232 8.753 -4.681 335 H LEU 40 H LEU 40 1.503 8.515 -1.197 336 HA LEU 40 HA LEU 40 -1.345 9.178 -1.706 337 HB2 LEU 40 2HB LEU 40 -1.912 6.898 -0.609 338 HB3 LEU 40 1HB LEU 40 -1.401 6.882 -2.297 339 HG LEU 40 HG LEU 40 0.867 6.763 -0.491 340 HD11 LEU 40 1HD1 LEU 40 -1.259 4.609 -0.282 341 HD12 LEU 40 2HD1 LEU 40 -0.674 5.635 1.024 342 HD13 LEU 40 3HD1 LEU 40 0.396 4.432 0.304 343 HD21 LEU 40 3HD2 LEU 40 1.330 6.058 -2.652 344 HD22 LEU 40 1HD2 LEU 40 -0.252 5.307 -2.855 345 HD23 LEU 40 2HD2 LEU 40 0.991 4.502 -1.899 346 H SER 41 H SER 41 -2.604 9.099 0.378 347 HA SER 41 HA SER 41 -1.141 10.323 2.557 348 HB2 SER 41 2HB SER 41 -3.893 9.499 1.857 349 HB3 SER 41 1HB SER 41 -3.542 9.491 3.583 350 HG SER 41 HG SER 41 -4.289 11.540 2.533 351 HA PRO 42 HA PRO 42 0.124 6.729 4.562 352 HB2 PRO 42 2HB PRO 42 0.175 7.556 7.164 353 HB3 PRO 42 1HB PRO 42 1.360 8.085 5.954 354 HG2 PRO 42 2HG PRO 42 -1.014 9.517 7.029 355 HG3 PRO 42 1HG PRO 42 0.573 10.149 6.569 356 HD2 PRO 42 2HD PRO 42 -1.689 10.336 5.008 357 HD3 PRO 42 1HD PRO 42 -0.026 10.396 4.381 358 H THR 43 H THR 43 -2.622 8.327 6.218 359 HA THR 43 HA THR 43 -3.666 6.310 7.770 360 HB THR 43 HB THR 43 -4.794 8.434 6.000 361 HG1 THR 43 1HG THR 43 -4.069 8.419 8.351 362 HG21 THR 43 3HG2 THR 43 -6.602 7.118 5.511 363 HG22 THR 43 1HG2 THR 43 -7.086 7.554 7.149 364 HG23 THR 43 2HG2 THR 43 -6.285 6.012 6.848 365 HA PRO 44 HA PRO 44 -5.538 4.055 4.009 366 HB2 PRO 44 2HB PRO 44 -4.962 4.996 1.501 367 HB3 PRO 44 1HB PRO 44 -6.350 5.572 2.446 368 HG2 PRO 44 2HG PRO 44 -3.703 6.855 1.991 369 HG3 PRO 44 1HG PRO 44 -5.309 7.591 2.126 370 HD2 PRO 44 2HD PRO 44 -3.438 7.561 4.149 371 HD3 PRO 44 1HD PRO 44 -5.189 7.719 4.402 372 H CYS 45 H CYS 45 -2.368 5.558 3.248 373 HA CYS 45 HA CYS 45 -1.062 3.643 1.756 374 HB2 CYS 45 2HB CYS 45 -0.064 5.703 2.749 375 HB3 CYS 45 1HB CYS 45 -0.064 4.918 4.328 376 HG CYS 45 HG CYS 45 1.874 4.285 2.012 377 H LEU 46 H LEU 46 -1.626 3.509 5.260 378 HA LEU 46 HA LEU 46 -0.550 0.885 5.674 379 HB2 LEU 46 2HB LEU 46 -2.722 2.486 7.073 380 HB3 LEU 46 1HB LEU 46 -1.915 1.071 7.756 381 HG LEU 46 HG LEU 46 0.111 2.823 6.814 382 HD11 LEU 46 1HD1 LEU 46 -0.541 4.921 7.295 383 HD12 LEU 46 2HD1 LEU 46 -1.130 4.426 8.884 384 HD13 LEU 46 3HD1 LEU 46 -2.183 4.300 7.475 385 HD21 LEU 46 3HD2 LEU 46 -0.871 1.790 9.456 386 HD22 LEU 46 1HD2 LEU 46 0.405 3.008 9.425 387 HD23 LEU 46 2HD2 LEU 46 0.648 1.455 8.623 388 H GLU 47 H GLU 47 -3.887 2.069 5.162 389 HA GLU 47 HA GLU 47 -5.285 -0.346 5.128 390 HB2 GLU 47 2HB GLU 47 -5.456 2.270 3.694 391 HB3 GLU 47 1HB GLU 47 -6.501 0.966 3.135 392 HG2 GLU 47 2HG GLU 47 -7.477 0.719 5.332 393 HG3 GLU 47 1HG GLU 47 -6.315 1.849 6.027 394 H ARG 48 H ARG 48 -3.213 1.078 2.625 395 HA ARG 48 HA ARG 48 -3.686 -0.962 0.622 396 HB2 ARG 48 2HB ARG 48 -1.294 0.865 1.022 397 HB3 ARG 48 1HB ARG 48 -1.837 0.155 -0.501 398 HG2 ARG 48 2HG ARG 48 -3.827 1.786 1.006 399 HG3 ARG 48 1HG ARG 48 -2.502 2.659 0.235 400 HD2 ARG 48 2HD ARG 48 -3.540 2.450 -1.767 401 HD3 ARG 48 1HD ARG 48 -3.482 0.684 -1.610 402 HE ARG 48 HE ARG 48 -5.706 2.415 -0.629 403 HH11 ARG 48 1HH1 ARG 48 -4.926 -0.300 -2.398 404 HH12 ARG 48 2HH1 ARG 48 -6.111 -1.339 -1.681 405 HH21 ARG 48 1HH2 ARG 48 -6.978 0.922 0.802 406 HH22 ARG 48 2HH2 ARG 48 -7.273 -0.648 0.131 407 H VAL 49 H VAL 49 -0.857 -0.282 2.710 408 HA VAL 49 HA VAL 49 0.579 -2.675 2.247 409 HB VAL 49 HB VAL 49 0.402 -0.498 4.242 410 HG11 VAL 49 1HG1 VAL 49 1.721 -1.659 5.965 411 HG12 VAL 49 2HG1 VAL 49 1.637 -3.159 5.040 412 HG13 VAL 49 3HG1 VAL 49 0.173 -2.470 5.741 413 HG21 VAL 49 3HG2 VAL 49 2.886 -0.663 4.024 414 HG22 VAL 49 1HG2 VAL 49 2.072 -0.515 2.468 415 HG23 VAL 49 2HG2 VAL 49 2.671 -2.086 3.003 416 H ARG 50 H ARG 50 -1.801 -1.947 4.820 417 HA ARG 50 HA ARG 50 -1.930 -4.303 6.228 418 HB2 ARG 50 2HB ARG 50 -4.212 -2.643 5.115 419 HB3 ARG 50 1HB ARG 50 -4.353 -3.760 6.473 420 HG2 ARG 50 2HG ARG 50 -2.212 -1.675 6.586 421 HG3 ARG 50 1HG ARG 50 -3.878 -1.172 6.876 422 HD2 ARG 50 2HD ARG 50 -3.952 -3.222 8.501 423 HD3 ARG 50 1HD ARG 50 -2.182 -3.090 8.458 424 HE ARG 50 HE ARG 50 -3.512 -0.519 8.850 425 HH11 ARG 50 1HH2 ARG 50 -2.555 -3.447 10.392 426 HH12 ARG 50 2HH2 ARG 50 -2.190 -2.688 11.906 427 HH21 ARG 50 1HH1 ARG 50 -2.925 0.508 10.783 428 HH22 ARG 50 2HH1 ARG 50 -2.399 -0.449 12.127 429 H ARG 51 H ARG 51 -3.730 -3.674 3.222 430 HA ARG 51 HA ARG 51 -4.872 -6.181 2.777 431 HB2 ARG 51 2HB ARG 51 -5.246 -4.294 1.305 432 HB3 ARG 51 1HB ARG 51 -3.532 -4.211 0.895 433 HG2 ARG 51 2HG ARG 51 -4.923 -6.799 0.389 434 HG3 ARG 51 1HG ARG 51 -5.311 -5.454 -0.685 435 HD2 ARG 51 2HD ARG 51 -2.488 -5.423 -0.365 436 HD3 ARG 51 1HD ARG 51 -2.950 -7.107 -0.689 437 HE ARG 51 HE ARG 51 -3.781 -4.797 -2.411 438 HH11 ARG 51 1HH1 ARG 51 -1.612 -7.100 -2.812 439 HH12 ARG 51 2HH1 ARG 51 -2.425 -8.013 -4.037 440 HH21 ARG 51 1HH2 ARG 51 -5.467 -6.410 -3.589 441 HH22 ARG 51 2HH2 ARG 51 -4.608 -7.623 -4.478 442 H LEU 52 H LEU 52 -1.558 -5.098 2.036 443 HA LEU 52 HA LEU 52 -0.664 -7.647 1.001 444 HB2 LEU 52 2HB LEU 52 0.687 -5.176 2.117 445 HB3 LEU 52 1HB LEU 52 1.592 -6.530 1.440 446 HG LEU 52 HG LEU 52 -0.536 -4.939 -0.025 447 HD11 LEU 52 1HD1 LEU 52 2.345 -4.579 0.345 448 HD12 LEU 52 2HD1 LEU 52 1.154 -3.467 -0.330 449 HD13 LEU 52 3HD1 LEU 52 1.891 -4.699 -1.356 450 HD21 LEU 52 3HD2 LEU 52 1.240 -7.266 -0.796 451 HD22 LEU 52 1HD2 LEU 52 0.476 -6.223 -1.997 452 HD23 LEU 52 2HD2 LEU 52 -0.518 -7.168 -0.888 453 H GLU 53 H GLU 53 -0.999 -6.248 4.188 454 HA GLU 53 HA GLU 53 0.773 -8.051 5.603 455 HB2 GLU 53 2HB GLU 53 -0.817 -5.774 6.082 456 HB3 GLU 53 1HB GLU 53 -1.480 -7.027 7.130 457 HG2 GLU 53 2HG GLU 53 1.351 -7.234 7.273 458 HG3 GLU 53 1HG GLU 53 0.946 -5.527 7.453 459 H ARG 54 H ARG 54 -2.801 -7.870 5.771 460 HA ARG 54 HA ARG 54 -3.215 -10.427 6.909 461 HB2 ARG 54 2HB ARG 54 -4.914 -8.775 5.005 462 HB3 ARG 54 1HB ARG 54 -5.522 -10.098 6.000 463 HG2 ARG 54 2HG ARG 54 -4.003 -8.276 7.640 464 HG3 ARG 54 1HG ARG 54 -5.237 -7.385 6.747 465 HD2 ARG 54 2HD ARG 54 -7.001 -8.732 7.641 466 HD3 ARG 54 1HD ARG 54 -5.858 -9.941 8.255 467 HE ARG 54 HE ARG 54 -5.331 -7.274 9.303 468 HH11 ARG 54 1HH2 ARG 54 -4.954 -9.862 10.802 469 HH12 ARG 54 2HH2 ARG 54 -6.232 -9.784 11.969 470 HH21 ARG 54 1HH1 ARG 54 -7.954 -7.276 10.307 471 HH22 ARG 54 2HH1 ARG 54 -7.929 -8.319 11.689 472 H GLN 55 H GLN 55 -2.497 -9.513 3.608 473 HA GLN 55 HA GLN 55 -3.387 -12.031 2.418 474 HB2 GLN 55 2HB GLN 55 -1.931 -9.538 1.595 475 HB3 GLN 55 1HB GLN 55 -1.869 -10.944 0.533 476 HG2 GLN 55 2HG GLN 55 -4.473 -9.869 1.627 477 HG3 GLN 55 1HG GLN 55 -3.781 -9.296 0.108 478 HE21 GLN 55 1HE2 GLN 55 -4.481 -10.442 -1.695 479 HE22 GLN 55 2HE2 GLN 55 -5.027 -12.049 -1.681 480 H GLY 56 H GLY 56 -0.944 -11.446 4.509 481 HA2 GLY 56 2HA GLY 56 0.962 -12.694 5.081 482 HA3 GLY 56 1HA GLY 56 0.474 -13.866 3.856 483 H PHE 57 H PHE 57 1.389 -10.414 3.600 484 HA PHE 57 HA PHE 57 3.647 -11.249 1.820 485 HB2 PHE 57 2HB PHE 57 1.532 -9.120 1.373 486 HB3 PHE 57 1HB PHE 57 2.955 -9.327 0.352 487 HD1 PHE 57 1HD PHE 57 3.075 -12.386 0.528 488 HD2 PHE 57 2HD PHE 57 -0.151 -9.663 -0.261 489 HE1 PHE 57 1HE PHE 57 1.899 -14.152 -0.753 490 HE2 PHE 57 2HE PHE 57 -1.327 -11.428 -1.545 491 HZ PHE 57 HZ PHE 57 -0.303 -13.673 -1.790 492 H ILE 58 H ILE 58 2.946 -9.836 4.645 493 HA ILE 58 HA ILE 58 5.167 -7.844 4.379 494 HB ILE 58 HB ILE 58 2.712 -7.537 6.112 495 HG12 ILE 58 2HG1 ILE 58 2.109 -7.699 3.678 496 HG13 ILE 58 1HG1 ILE 58 1.770 -6.115 4.374 497 HG21 ILE 58 1HG2 ILE 58 4.314 -5.276 5.005 498 HG22 ILE 58 2HG2 ILE 58 5.055 -6.243 6.278 499 HG23 ILE 58 3HG2 ILE 58 3.520 -5.429 6.572 500 HD11 ILE 58 3HD1 ILE 58 3.027 -5.215 2.736 501 HD12 ILE 58 1HD1 ILE 58 3.565 -6.809 2.203 502 HD13 ILE 58 2HD1 ILE 58 4.432 -5.970 3.490 503 H GLN 59 H GLN 59 5.483 -10.543 5.261 504 HA GLN 59 HA GLN 59 5.451 -10.610 8.187 505 HB2 GLN 59 2HB GLN 59 6.502 -12.804 7.803 506 HB3 GLN 59 1HB GLN 59 5.146 -12.589 6.695 507 HG2 GLN 59 2HG GLN 59 6.636 -11.986 4.886 508 HG3 GLN 59 1HG GLN 59 8.022 -11.964 5.976 509 HE21 GLN 59 1HE2 GLN 59 7.750 -13.695 3.606 510 HE22 GLN 59 2HE2 GLN 59 7.775 -15.296 4.168 511 H GLY 60 H GLY 60 7.381 -9.073 5.951 512 HA2 GLY 60 2HA GLY 60 9.573 -8.798 7.931 513 HA3 GLY 60 1HA GLY 60 10.005 -9.307 6.297 514 H TYR 61 H TYR 61 8.048 -7.717 4.918 515 HA TYR 61 HA TYR 61 9.429 -5.284 4.503 516 HB2 TYR 61 2HB TYR 61 6.471 -5.852 4.136 517 HB3 TYR 61 1HB TYR 61 7.446 -4.711 3.214 518 HD1 TYR 61 1HD TYR 61 9.919 -6.720 3.273 519 HD2 TYR 61 2HD TYR 61 5.813 -7.021 2.048 520 HE1 TYR 61 1HE TYR 61 10.526 -8.523 1.681 521 HE2 TYR 61 2HE TYR 61 6.419 -8.825 0.458 522 HH TYR 61 HH TYR 61 8.167 -9.837 -0.593 523 H THR 62 H THR 62 6.334 -4.190 5.009 524 HA THR 62 HA THR 62 7.187 -2.664 7.377 525 HB THR 62 HB THR 62 6.047 -1.693 5.367 526 HG1 THR 62 1HG THR 62 4.553 -0.478 6.630 527 HG21 THR 62 3HG2 THR 62 3.510 -2.040 5.368 528 HG22 THR 62 1HG2 THR 62 3.818 -3.443 6.388 529 HG23 THR 62 2HG2 THR 62 4.486 -3.373 4.757 530 H ALA 63 H ALA 63 6.500 -5.614 7.467 531 HA ALA 63 HA ALA 63 4.129 -6.427 8.514 532 HB1 ALA 63 1HB ALA 63 6.496 -6.938 10.257 533 HB2 ALA 63 2HB ALA 63 6.672 -7.348 8.551 534 HB3 ALA 63 3HB ALA 63 5.388 -8.088 9.507 535 H LEU 64 H LEU 64 6.377 -4.190 10.059 536 HA LEU 64 HA LEU 64 5.190 -4.006 12.636 537 HB2 LEU 64 2HB LEU 64 6.220 -1.631 12.444 538 HB3 LEU 64 1HB LEU 64 7.314 -2.998 12.243 539 HG LEU 64 HG LEU 64 6.042 -2.206 9.723 540 HD11 LEU 64 1HD1 LEU 64 7.814 -0.183 9.742 541 HD12 LEU 64 2HD1 LEU 64 7.369 -0.167 11.448 542 HD13 LEU 64 3HD1 LEU 64 6.130 0.041 10.212 543 HD21 LEU 64 3HD2 LEU 64 8.982 -2.155 10.403 544 HD22 LEU 64 1HD2 LEU 64 8.208 -2.601 8.884 545 HD23 LEU 64 2HD2 LEU 64 8.126 -3.689 10.267 546 H LEU 65 H LEU 65 4.949 -0.933 11.296 547 HA LEU 65 HA LEU 65 3.046 0.490 11.228 548 HB2 LEU 65 2HB LEU 65 2.164 0.185 9.104 549 HB3 LEU 65 1HB LEU 65 3.522 -0.936 8.994 550 HG LEU 65 HG LEU 65 1.539 -2.489 10.156 551 HD11 LEU 65 1HD1 LEU 65 -0.525 -2.062 9.155 552 HD12 LEU 65 2HD1 LEU 65 0.191 -1.107 7.857 553 HD13 LEU 65 3HD1 LEU 65 0.053 -0.427 9.478 554 HD21 LEU 65 3HD2 LEU 65 2.587 -3.640 8.503 555 HD22 LEU 65 1HD2 LEU 65 2.841 -2.190 7.532 556 HD23 LEU 65 2HD2 LEU 65 1.290 -3.029 7.476 557 H ASN 66 H ASN 66 2.874 -1.698 13.288 558 HA ASN 66 HA ASN 66 -0.063 -1.582 13.674 559 HB2 ASN 66 2HB ASN 66 0.973 -3.690 12.353 560 HB3 ASN 66 1HB ASN 66 1.247 -4.245 14.006 561 HD21 ASN 66 1HD2 ASN 66 -0.994 -3.303 15.361 562 HD22 ASN 66 2HD2 ASN 66 -2.405 -3.974 14.698 Start of MODEL 4 1 H1 MET 1 1HT MET 1 6.605 -2.591 -17.249 2 H2 MET 1 2HT MET 1 7.211 -2.572 -15.662 3 H3 MET 1 3HT MET 1 7.309 -3.988 -16.594 4 HA MET 1 HA MET 1 8.730 -2.642 -18.206 5 HB2 MET 1 2HB MET 1 7.965 -0.769 -16.123 6 HB3 MET 1 1HB MET 1 9.721 -0.857 -16.263 7 HG2 MET 1 2HG MET 1 8.685 -0.843 -18.907 8 HG3 MET 1 1HG MET 1 7.848 0.433 -18.022 9 HE1 MET 1 2HE MET 1 10.988 -1.417 -18.124 10 HE2 MET 1 3HE MET 1 11.732 -0.463 -16.842 11 HE3 MET 1 1HE MET 1 12.284 -0.288 -18.513 12 H VAL 2 H VAL 2 8.757 -3.493 -14.773 13 HA VAL 2 HA VAL 2 11.407 -4.824 -15.204 14 HB VAL 2 HB VAL 2 12.155 -3.936 -13.088 15 HG11 VAL 2 1HG1 VAL 2 10.747 -1.519 -14.115 16 HG12 VAL 2 2HG1 VAL 2 11.782 -2.384 -15.251 17 HG13 VAL 2 3HG1 VAL 2 12.455 -1.752 -13.748 18 HG21 VAL 2 3HG2 VAL 2 10.078 -2.191 -12.286 19 HG22 VAL 2 1HG2 VAL 2 10.634 -3.642 -11.452 20 HG23 VAL 2 2HG2 VAL 2 9.312 -3.744 -12.613 21 H ASP 3 H ASP 3 11.804 -6.512 -13.461 22 HA ASP 3 HA ASP 3 9.242 -7.665 -12.411 23 HB2 ASP 3 2HB ASP 3 10.268 -8.641 -14.593 24 HB3 ASP 3 1HB ASP 3 11.521 -9.296 -13.539 25 H SER 4 H SER 4 9.729 -7.041 -10.245 26 HA SER 4 HA SER 4 11.864 -8.650 -8.952 27 HB2 SER 4 2HB SER 4 11.621 -5.667 -8.513 28 HB3 SER 4 1HB SER 4 12.942 -6.725 -8.026 29 HG SER 4 HG SER 4 13.137 -7.131 -10.386 30 H LYS 5 H LYS 5 11.721 -8.022 -6.426 31 HA LYS 5 HA LYS 5 10.365 -8.242 -4.499 32 HB2 LYS 5 2HB LYS 5 8.613 -6.384 -6.144 33 HB3 LYS 5 1HB LYS 5 8.663 -6.499 -4.385 34 HG2 LYS 5 2HG LYS 5 10.969 -5.637 -6.160 35 HG3 LYS 5 1HG LYS 5 9.974 -4.562 -5.177 36 HD2 LYS 5 2HD LYS 5 11.289 -4.964 -3.397 37 HD3 LYS 5 1HD LYS 5 10.898 -6.682 -3.500 38 HE2 LYS 5 2HE LYS 5 13.232 -6.717 -3.777 39 HE3 LYS 5 1HE LYS 5 12.685 -6.648 -5.464 40 HZ1 LYS 5 3HZ LYS 5 13.618 -4.430 -3.742 41 HZ2 LYS 5 1HZ LYS 5 12.670 -4.139 -5.118 42 HZ3 LYS 5 2HZ LYS 5 14.188 -4.884 -5.277 43 H LYS 6 H LYS 6 9.787 -10.500 -4.909 44 HA LYS 6 HA LYS 6 7.782 -11.491 -6.591 45 HB2 LYS 6 2HB LYS 6 9.344 -12.813 -5.192 46 HB3 LYS 6 1HB LYS 6 8.468 -12.304 -3.748 47 HG2 LYS 6 2HG LYS 6 6.821 -13.821 -4.090 48 HG3 LYS 6 1HG LYS 6 6.706 -13.423 -5.804 49 HD2 LYS 6 2HD LYS 6 9.012 -15.040 -4.716 50 HD3 LYS 6 1HD LYS 6 7.498 -15.805 -5.198 51 HE2 LYS 6 2HE LYS 6 8.579 -13.882 -7.176 52 HE3 LYS 6 1HE LYS 6 9.563 -15.338 -6.930 53 HZ1 LYS 6 3HZ LYS 6 7.238 -16.487 -6.936 54 HZ2 LYS 6 1HZ LYS 6 8.002 -16.116 -8.405 55 HZ3 LYS 6 2HZ LYS 6 6.766 -15.111 -7.813 56 H ARG 7 H ARG 7 6.824 -11.762 -3.262 57 HA ARG 7 HA ARG 7 4.764 -11.210 -2.225 58 HB2 ARG 7 2HB ARG 7 6.031 -8.929 -3.408 59 HB3 ARG 7 1HB ARG 7 4.293 -8.748 -3.627 60 HG2 ARG 7 2HG ARG 7 4.688 -7.790 -1.504 61 HG3 ARG 7 1HG ARG 7 4.120 -9.417 -1.126 62 HD2 ARG 7 2HD ARG 7 6.164 -8.802 0.187 63 HD3 ARG 7 1HD ARG 7 6.458 -10.187 -0.883 64 HE ARG 7 HE ARG 7 6.992 -7.700 -2.255 65 HH11 ARG 7 1HH2 ARG 7 8.500 -10.484 -1.789 66 HH12 ARG 7 2HH2 ARG 7 10.031 -9.860 -1.271 67 HH21 ARG 7 1HH1 ARG 7 8.855 -6.636 -0.785 68 HH22 ARG 7 2HH1 ARG 7 10.232 -7.684 -0.704 69 HA PRO 8 HA PRO 8 1.349 -12.002 -4.904 70 HB2 PRO 8 2HB PRO 8 -0.458 -9.943 -4.660 71 HB3 PRO 8 1HB PRO 8 -0.224 -11.188 -3.416 72 HG2 PRO 8 2HG PRO 8 0.853 -8.409 -3.541 73 HG3 PRO 8 1HG PRO 8 0.220 -9.310 -2.155 74 HD2 PRO 8 2HD PRO 8 2.868 -8.984 -2.596 75 HD3 PRO 8 1HD PRO 8 2.204 -10.426 -1.806 76 H GLY 9 H GLY 9 3.385 -11.095 -6.405 77 HA2 GLY 9 2HA GLY 9 3.252 -8.763 -7.891 78 HA3 GLY 9 1HA GLY 9 3.775 -10.299 -8.584 79 H LYS 10 H LYS 10 1.245 -11.659 -8.256 80 HA LYS 10 HA LYS 10 -0.063 -10.980 -10.692 81 HB2 LYS 10 2HB LYS 10 -1.780 -12.552 -9.823 82 HB3 LYS 10 1HB LYS 10 -0.150 -13.166 -9.537 83 HG2 LYS 10 2HG LYS 10 -0.247 -12.750 -7.251 84 HG3 LYS 10 1HG LYS 10 -1.452 -11.475 -7.430 85 HD2 LYS 10 2HD LYS 10 -3.058 -13.313 -8.212 86 HD3 LYS 10 1HD LYS 10 -1.867 -14.463 -7.605 87 HE2 LYS 10 2HE LYS 10 -2.356 -14.000 -5.416 88 HE3 LYS 10 1HE LYS 10 -2.571 -12.267 -5.734 89 HZ1 LYS 10 3HZ LYS 10 -4.743 -12.846 -5.508 90 HZ2 LYS 10 1HZ LYS 10 -4.493 -14.455 -5.986 91 HZ3 LYS 10 2HZ LYS 10 -4.571 -13.224 -7.155 92 H ASP 11 H ASP 11 -2.763 -11.173 -9.006 93 HA ASP 11 HA ASP 11 -3.706 -8.561 -9.413 94 HB2 ASP 11 2HB ASP 11 -4.475 -10.476 -7.183 95 HB3 ASP 11 1HB ASP 11 -5.509 -9.254 -7.926 96 H LEU 12 H LEU 12 -2.090 -7.033 -8.691 97 HA LEU 12 HA LEU 12 -1.970 -6.725 -5.709 98 HB2 LEU 12 2HB LEU 12 0.087 -7.344 -7.529 99 HB3 LEU 12 1HB LEU 12 0.310 -5.636 -7.143 100 HG LEU 12 HG LEU 12 0.073 -7.909 -5.150 101 HD11 LEU 12 1HD1 LEU 12 2.427 -6.459 -4.746 102 HD12 LEU 12 2HD1 LEU 12 2.301 -6.595 -6.500 103 HD13 LEU 12 3HD1 LEU 12 2.301 -8.049 -5.500 104 HD21 LEU 12 3HD2 LEU 12 0.899 -5.718 -3.748 105 HD22 LEU 12 1HD2 LEU 12 -0.784 -6.236 -3.854 106 HD23 LEU 12 2HD2 LEU 12 -0.182 -4.969 -4.922 107 H ASP 13 H ASP 13 -1.994 -4.534 -4.972 108 HA ASP 13 HA ASP 13 -3.212 -2.619 -6.853 109 HB2 ASP 13 2HB ASP 13 -2.840 -2.989 -3.927 110 HB3 ASP 13 1HB ASP 13 -2.964 -1.320 -4.483 111 H ARG 14 H ARG 14 -2.243 -0.674 -7.495 112 HA ARG 14 HA ARG 14 0.520 -0.561 -7.935 113 HB2 ARG 14 2HB ARG 14 -1.644 1.535 -7.675 114 HB3 ARG 14 1HB ARG 14 -0.008 1.945 -8.191 115 HG2 ARG 14 2HG ARG 14 -1.854 -0.050 -9.536 116 HG3 ARG 14 1HG ARG 14 -1.423 1.545 -10.153 117 HD2 ARG 14 2HD ARG 14 1.047 0.690 -9.945 118 HD3 ARG 14 1HD ARG 14 0.297 -0.919 -9.936 119 HE ARG 14 HE ARG 14 -0.983 0.154 -12.037 120 HH11 ARG 14 1HH1 ARG 14 2.253 -0.539 -11.312 121 HH12 ARG 14 2HH1 ARG 14 2.885 0.060 -12.810 122 HH21 ARG 14 1HH2 ARG 14 -0.153 1.340 -13.884 123 HH22 ARG 14 2HH2 ARG 14 1.522 1.122 -14.267 124 H ILE 15 H ILE 15 -1.343 0.747 -5.200 125 HA ILE 15 HA ILE 15 0.909 2.077 -3.957 126 HB ILE 15 HB ILE 15 -1.613 1.077 -2.625 127 HG12 ILE 15 2HG1 ILE 15 -2.489 2.058 -4.594 128 HG13 ILE 15 1HG1 ILE 15 -2.513 3.379 -3.427 129 HG21 ILE 15 1HG2 ILE 15 -0.834 2.354 -0.946 130 HG22 ILE 15 2HG2 ILE 15 -0.945 3.764 -2.000 131 HG23 ILE 15 3HG2 ILE 15 0.554 2.835 -1.923 132 HD11 ILE 15 3HD1 ILE 15 -0.885 3.059 -5.868 133 HD12 ILE 15 1HD1 ILE 15 0.008 3.633 -4.460 134 HD13 ILE 15 2HD1 ILE 15 -1.395 4.530 -5.041 135 H ASP 16 H ASP 16 -0.232 -1.216 -3.972 136 HA ASP 16 HA ASP 16 1.167 -1.927 -1.478 137 HB2 ASP 16 2HB ASP 16 -0.395 -3.388 -3.620 138 HB3 ASP 16 1HB ASP 16 0.383 -4.244 -2.289 139 H ARG 17 H ARG 17 1.460 -2.974 -4.906 140 HA ARG 17 HA ARG 17 3.886 -4.388 -4.614 141 HB2 ARG 17 2HB ARG 17 3.947 -4.281 -7.006 142 HB3 ARG 17 1HB ARG 17 2.240 -4.253 -6.567 143 HG2 ARG 17 2HG ARG 17 2.281 -1.765 -6.705 144 HG3 ARG 17 1HG ARG 17 3.958 -1.851 -7.248 145 HD2 ARG 17 2HD ARG 17 2.863 -3.576 -9.009 146 HD3 ARG 17 1HD ARG 17 1.460 -2.527 -8.722 147 HE ARG 17 HE ARG 17 2.868 -0.598 -9.369 148 HH11 ARG 17 1HH1 ARG 17 2.955 -2.793 -11.575 149 HH12 ARG 17 2HH1 ARG 17 4.628 -2.712 -12.013 150 HH21 ARG 17 1HH2 ARG 17 5.548 -0.894 -9.208 151 HH22 ARG 17 2HH2 ARG 17 6.097 -1.639 -10.672 152 H ASN 18 H ASN 18 3.345 -0.974 -5.365 153 HA ASN 18 HA ASN 18 6.137 -0.306 -5.647 154 HB2 ASN 18 2HB ASN 18 3.653 0.890 -6.028 155 HB3 ASN 18 1HB ASN 18 4.332 1.801 -4.680 156 HD21 ASN 18 1HD2 ASN 18 6.915 2.192 -5.150 157 HD22 ASN 18 2HD2 ASN 18 7.227 2.839 -6.688 158 H ILE 19 H ILE 19 3.820 -0.168 -2.936 159 HA ILE 19 HA ILE 19 5.648 0.981 -1.037 160 HB ILE 19 HB ILE 19 3.079 -0.585 -0.983 161 HG12 ILE 19 2HG1 ILE 19 3.932 2.163 -0.014 162 HG13 ILE 19 1HG1 ILE 19 2.997 1.816 -1.468 163 HG21 ILE 19 1HG2 ILE 19 3.465 0.242 1.634 164 HG22 ILE 19 2HG2 ILE 19 5.044 -0.395 1.183 165 HG23 ILE 19 3HG2 ILE 19 3.613 -1.416 1.055 166 HD11 ILE 19 3HD1 ILE 19 1.461 0.544 0.347 167 HD12 ILE 19 1HD1 ILE 19 1.238 2.245 -0.058 168 HD13 ILE 19 2HD1 ILE 19 2.148 1.794 1.384 169 H LEU 20 H LEU 20 5.055 -2.303 -2.189 170 HA LEU 20 HA LEU 20 6.582 -3.628 -0.089 171 HB2 LEU 20 2HB LEU 20 5.478 -4.315 -2.818 172 HB3 LEU 20 1HB LEU 20 6.504 -5.462 -1.956 173 HG LEU 20 HG LEU 20 4.182 -4.197 -0.533 174 HD11 LEU 20 1HD1 LEU 20 4.101 -6.366 -2.621 175 HD12 LEU 20 2HD1 LEU 20 3.002 -5.006 -2.397 176 HD13 LEU 20 3HD1 LEU 20 2.950 -6.373 -1.285 177 HD21 LEU 20 3HD2 LEU 20 4.253 -6.617 0.440 178 HD22 LEU 20 1HD2 LEU 20 5.525 -5.489 0.907 179 HD23 LEU 20 2HD2 LEU 20 5.838 -6.708 -0.328 180 H ASN 21 H ASN 21 7.257 -2.625 -3.464 181 HA ASN 21 HA ASN 21 9.970 -3.576 -3.538 182 HB2 ASN 21 2HB ASN 21 8.728 -3.032 -5.548 183 HB3 ASN 21 1HB ASN 21 8.449 -1.383 -4.986 184 HD21 ASN 21 1HD2 ASN 21 9.694 -0.079 -6.358 185 HD22 ASN 21 2HD2 ASN 21 11.334 -0.340 -6.708 186 H GLU 22 H GLU 22 8.454 -0.683 -2.260 187 HA GLU 22 HA GLU 22 10.921 0.833 -1.952 188 HB2 GLU 22 2HB GLU 22 8.040 1.019 -1.161 189 HB3 GLU 22 1HB GLU 22 9.198 2.040 -0.308 190 HG2 GLU 22 2HG GLU 22 9.588 3.348 -2.136 191 HG3 GLU 22 1HG GLU 22 9.507 1.981 -3.249 192 H LEU 23 H LEU 23 8.907 -1.228 0.138 193 HA LEU 23 HA LEU 23 10.426 -0.750 2.548 194 HB2 LEU 23 2HB LEU 23 8.459 -2.782 1.518 195 HB3 LEU 23 1HB LEU 23 9.257 -3.047 3.070 196 HG LEU 23 HG LEU 23 7.967 -0.396 2.460 197 HD11 LEU 23 1HD1 LEU 23 5.847 -1.136 2.967 198 HD12 LEU 23 2HD1 LEU 23 6.437 -2.461 3.968 199 HD13 LEU 23 3HD1 LEU 23 6.466 -2.603 2.210 200 HD21 LEU 23 3HD2 LEU 23 7.788 -0.321 4.909 201 HD22 LEU 23 1HD2 LEU 23 9.455 -0.658 4.437 202 HD23 LEU 23 2HD2 LEU 23 8.421 -1.964 5.021 203 H GLN 24 H GLN 24 10.806 -2.860 -0.223 204 HA GLN 24 HA GLN 24 12.719 -4.681 0.967 205 HB2 GLN 24 2HB GLN 24 11.452 -4.097 -1.594 206 HB3 GLN 24 1HB GLN 24 13.157 -4.502 -1.801 207 HG2 GLN 24 2HG GLN 24 11.449 -6.185 0.009 208 HG3 GLN 24 1HG GLN 24 11.368 -6.429 -1.735 209 HE21 GLN 24 1HE2 GLN 24 12.458 -8.521 -1.613 210 HE22 GLN 24 2HE2 GLN 24 14.113 -8.638 -1.248 211 H LYS 25 H LYS 25 12.985 -1.707 -1.008 212 HA LYS 25 HA LYS 25 15.905 -1.678 -0.911 213 HB2 LYS 25 2HB LYS 25 13.828 0.435 -1.579 214 HB3 LYS 25 1HB LYS 25 15.549 0.551 -1.951 215 HG2 LYS 25 2HG LYS 25 14.944 -1.890 -3.024 216 HG3 LYS 25 1HG LYS 25 13.434 -1.017 -3.291 217 HD2 LYS 25 2HD LYS 25 16.172 0.035 -4.060 218 HD3 LYS 25 1HD LYS 25 15.063 -0.761 -5.177 219 HE2 LYS 25 2HE LYS 25 13.969 1.195 -5.493 220 HE3 LYS 25 1HE LYS 25 13.633 1.297 -3.753 221 HZ1 LYS 25 3HZ LYS 25 15.991 2.282 -5.239 222 HZ2 LYS 25 1HZ LYS 25 16.087 1.955 -3.577 223 HZ3 LYS 25 2HZ LYS 25 14.997 3.126 -4.149 224 H ASP 26 H ASP 26 13.294 -0.486 1.061 225 HA ASP 26 HA ASP 26 15.315 0.588 2.968 226 HB2 ASP 26 2HB ASP 26 13.673 2.123 1.334 227 HB3 ASP 26 1HB ASP 26 12.781 2.069 2.855 228 H GLY 27 H GLY 27 14.911 -1.388 4.204 229 HA2 GLY 27 2HA GLY 27 12.196 -2.047 5.052 230 HA3 GLY 27 1HA GLY 27 13.675 -2.816 5.629 231 H ARG 28 H ARG 28 13.975 0.526 5.829 232 HA ARG 28 HA ARG 28 13.251 0.453 8.735 233 HB2 ARG 28 2HB ARG 28 15.263 2.192 7.272 234 HB3 ARG 28 1HB ARG 28 15.101 2.002 9.019 235 HG2 ARG 28 2HG ARG 28 16.876 0.550 8.515 236 HG3 ARG 28 1HG ARG 28 15.487 -0.536 8.533 237 HD2 ARG 28 2HD ARG 28 15.485 -0.794 6.219 238 HD3 ARG 28 1HD ARG 28 16.232 0.792 5.943 239 HE ARG 28 HE ARG 28 17.684 -1.629 6.921 240 HH11 ARG 28 1HH2 ARG 28 18.334 1.485 7.427 241 HH12 ARG 28 2HH2 ARG 28 19.699 1.622 6.371 242 HH21 ARG 28 1HH1 ARG 28 19.131 -1.418 4.803 243 HH22 ARG 28 2HH1 ARG 28 20.151 -0.020 4.885 244 H ILE 29 H ILE 29 11.519 1.202 6.372 245 HA ILE 29 HA ILE 29 11.080 4.100 6.968 246 HB ILE 29 HB ILE 29 11.555 3.398 4.626 247 HG12 ILE 29 2HG1 ILE 29 8.728 4.353 5.171 248 HG13 ILE 29 1HG1 ILE 29 10.158 5.367 4.978 249 HG21 ILE 29 1HG2 ILE 29 9.856 2.037 3.441 250 HG22 ILE 29 2HG2 ILE 29 8.986 1.819 4.959 251 HG23 ILE 29 3HG2 ILE 29 10.598 1.134 4.762 252 HD11 ILE 29 3HD1 ILE 29 10.116 3.730 2.696 253 HD12 ILE 29 1HD1 ILE 29 9.703 5.443 2.772 254 HD13 ILE 29 2HD1 ILE 29 8.440 4.224 2.937 255 H SER 30 H SER 30 9.152 4.728 7.881 256 HA SER 30 HA SER 30 7.309 2.576 8.747 257 HB2 SER 30 2HB SER 30 6.394 4.659 10.037 258 HB3 SER 30 1HB SER 30 7.967 4.011 10.498 259 HG SER 30 HG SER 30 8.816 5.827 9.904 260 H ASN 31 H ASN 31 4.966 2.853 8.438 261 HA ASN 31 HA ASN 31 4.033 3.297 5.881 262 HB2 ASN 31 2HB ASN 31 2.962 3.259 8.609 263 HB3 ASN 31 1HB ASN 31 1.982 4.241 7.518 264 HD21 ASN 31 1HD2 ASN 31 1.893 2.986 5.157 265 HD22 ASN 31 2HD2 ASN 31 1.402 1.366 5.291 266 H VAL 32 H VAL 32 4.143 5.818 8.447 267 HA VAL 32 HA VAL 32 3.084 7.997 7.093 268 HB VAL 32 HB VAL 32 5.566 7.779 8.832 269 HG11 VAL 32 1HG1 VAL 32 5.015 10.235 9.314 270 HG12 VAL 32 2HG1 VAL 32 4.006 10.186 7.869 271 HG13 VAL 32 3HG1 VAL 32 5.741 9.897 7.742 272 HG21 VAL 32 3HG2 VAL 32 4.037 7.386 10.442 273 HG22 VAL 32 1HG2 VAL 32 2.713 7.632 9.305 274 HG23 VAL 32 2HG2 VAL 32 3.404 9.008 10.165 275 H GLU 33 H GLU 33 6.613 7.331 7.088 276 HA GLU 33 HA GLU 33 7.168 8.957 4.793 277 HB2 GLU 33 2HB GLU 33 8.726 7.990 6.605 278 HB3 GLU 33 1HB GLU 33 8.670 6.482 5.692 279 HG2 GLU 33 2HG GLU 33 10.355 7.311 4.437 280 HG3 GLU 33 1HG GLU 33 9.174 8.430 3.755 281 H LEU 34 H LEU 34 6.056 5.664 5.226 282 HA LEU 34 HA LEU 34 6.531 4.758 2.514 283 HB2 LEU 34 2HB LEU 34 5.751 3.715 4.991 284 HB3 LEU 34 1HB LEU 34 4.342 3.489 3.954 285 HG LEU 34 HG LEU 34 7.174 2.586 3.356 286 HD11 LEU 34 1HD1 LEU 34 4.760 0.811 3.532 287 HD12 LEU 34 2HD1 LEU 34 5.555 1.331 5.018 288 HD13 LEU 34 3HD1 LEU 34 6.456 0.416 3.810 289 HD21 LEU 34 3HD2 LEU 34 4.767 1.884 1.704 290 HD22 LEU 34 1HD2 LEU 34 6.466 1.932 1.233 291 HD23 LEU 34 2HD2 LEU 34 5.565 3.435 1.441 292 H SER 35 H SER 35 4.234 6.834 3.976 293 HA SER 35 HA SER 35 2.075 6.323 2.046 294 HB2 SER 35 2HB SER 35 0.881 7.841 3.409 295 HB3 SER 35 1HB SER 35 1.946 6.992 4.533 296 HG SER 35 HG SER 35 1.918 9.623 3.762 297 H LYS 36 H LYS 36 4.421 8.927 2.747 298 HA LYS 36 HA LYS 36 3.516 10.549 0.476 299 HB2 LYS 36 2HB LYS 36 5.542 10.670 2.677 300 HB3 LYS 36 1HB LYS 36 5.755 11.745 1.295 301 HG2 LYS 36 2HG LYS 36 4.085 13.088 1.990 302 HG3 LYS 36 1HG LYS 36 2.988 11.718 2.172 303 HD2 LYS 36 2HD LYS 36 3.144 12.419 4.378 304 HD3 LYS 36 1HD LYS 36 4.458 11.245 4.324 305 HE2 LYS 36 2HE LYS 36 5.772 12.952 5.084 306 HE3 LYS 36 1HE LYS 36 5.667 13.590 3.432 307 HZ1 LYS 36 3HZ LYS 36 3.996 15.022 3.984 308 HZ2 LYS 36 1HZ LYS 36 4.812 14.987 5.471 309 HZ3 LYS 36 2HZ LYS 36 3.414 14.049 5.249 310 H ARG 37 H ARG 37 5.817 7.994 0.916 311 HA ARG 37 HA ARG 37 7.599 8.828 -1.244 312 HB2 ARG 37 2HB ARG 37 8.867 7.442 0.020 313 HB3 ARG 37 1HB ARG 37 7.442 6.864 0.875 314 HG2 ARG 37 2HG ARG 37 7.067 5.123 -0.670 315 HG3 ARG 37 1HG ARG 37 8.094 5.872 -1.894 316 HD2 ARG 37 2HD ARG 37 9.413 5.215 0.694 317 HD3 ARG 37 1HD ARG 37 8.975 3.848 -0.346 318 HE ARG 37 HE ARG 37 10.099 5.459 -2.179 319 HH11 ARG 37 1HH2 ARG 37 11.698 3.274 -0.764 320 HH12 ARG 37 2HH2 ARG 37 13.097 4.163 -0.258 321 HH21 ARG 37 1HH1 ARG 37 11.627 7.267 -0.742 322 HH22 ARG 37 2HH1 ARG 37 13.055 6.423 -0.243 323 H VAL 38 H VAL 38 4.606 7.187 -1.065 324 HA VAL 38 HA VAL 38 5.016 5.999 -3.780 325 HB VAL 38 HB VAL 38 2.721 4.893 -2.956 326 HG11 VAL 38 1HG1 VAL 38 5.569 4.229 -2.615 327 HG12 VAL 38 2HG1 VAL 38 4.260 3.261 -3.294 328 HG13 VAL 38 3HG1 VAL 38 4.485 3.339 -1.547 329 HG21 VAL 38 3HG2 VAL 38 2.674 6.290 -0.887 330 HG22 VAL 38 1HG2 VAL 38 4.181 5.536 -0.380 331 HG23 VAL 38 2HG2 VAL 38 2.719 4.564 -0.533 332 H GLY 39 H GLY 39 3.624 8.615 -2.188 333 HA2 GLY 39 2HA GLY 39 2.536 10.423 -3.317 334 HA3 GLY 39 1HA GLY 39 2.112 9.321 -4.624 335 H LEU 40 H LEU 40 1.524 8.879 -1.135 336 HA LEU 40 HA LEU 40 -1.378 9.376 -1.529 337 HB2 LEU 40 2HB LEU 40 -1.719 7.035 -0.430 338 HB3 LEU 40 1HB LEU 40 -1.327 7.094 -2.149 339 HG LEU 40 HG LEU 40 1.084 7.122 -0.562 340 HD11 LEU 40 1HD1 LEU 40 0.167 4.438 -0.199 341 HD12 LEU 40 2HD1 LEU 40 -1.019 5.522 0.527 342 HD13 LEU 40 3HD1 LEU 40 0.667 5.593 1.034 343 HD21 LEU 40 3HD2 LEU 40 -0.163 5.578 -2.788 344 HD22 LEU 40 1HD2 LEU 40 1.180 4.821 -1.934 345 HD23 LEU 40 2HD2 LEU 40 1.403 6.382 -2.723 346 H SER 41 H SER 41 -2.540 9.217 0.590 347 HA SER 41 HA SER 41 -0.977 10.393 2.758 348 HB2 SER 41 2HB SER 41 -3.792 9.727 2.096 349 HB3 SER 41 1HB SER 41 -3.398 9.737 3.814 350 HG SER 41 HG SER 41 -2.671 11.828 2.047 351 HA PRO 42 HA PRO 42 0.071 6.700 4.712 352 HB2 PRO 42 2HB PRO 42 0.036 7.435 7.346 353 HB3 PRO 42 1HB PRO 42 1.294 7.955 6.207 354 HG2 PRO 42 2HG PRO 42 -1.079 9.445 7.213 355 HG3 PRO 42 1HG PRO 42 0.559 10.025 6.874 356 HD2 PRO 42 2HD PRO 42 -1.574 10.390 5.188 357 HD3 PRO 42 1HD PRO 42 0.120 10.347 4.652 358 H THR 43 H THR 43 -2.697 8.349 6.277 359 HA THR 43 HA THR 43 -3.894 6.313 7.704 360 HB THR 43 HB THR 43 -4.832 8.568 5.990 361 HG1 THR 43 1HG THR 43 -6.037 8.749 8.135 362 HG21 THR 43 3HG2 THR 43 -6.519 7.054 5.296 363 HG22 THR 43 1HG2 THR 43 -7.239 7.912 6.659 364 HG23 THR 43 2HG2 THR 43 -6.595 6.286 6.882 365 HA PRO 44 HA PRO 44 -5.671 4.322 3.755 366 HB2 PRO 44 2HB PRO 44 -4.938 5.352 1.324 367 HB3 PRO 44 1HB PRO 44 -6.345 5.936 2.233 368 HG2 PRO 44 2HG PRO 44 -3.636 7.134 1.962 369 HG3 PRO 44 1HG PRO 44 -5.215 7.926 2.066 370 HD2 PRO 44 2HD PRO 44 -3.442 7.718 4.164 371 HD3 PRO 44 1HD PRO 44 -5.194 7.937 4.347 372 H CYS 45 H CYS 45 -2.410 5.711 3.130 373 HA CYS 45 HA CYS 45 -1.155 3.746 1.650 374 HB2 CYS 45 2HB CYS 45 -0.118 5.780 2.699 375 HB3 CYS 45 1HB CYS 45 -0.133 4.942 4.250 376 HG CYS 45 HG CYS 45 2.054 4.020 3.539 377 H LEU 46 H LEU 46 -1.667 3.648 5.170 378 HA LEU 46 HA LEU 46 -0.736 1.001 5.621 379 HB2 LEU 46 2HB LEU 46 -2.890 2.704 6.920 380 HB3 LEU 46 1HB LEU 46 -2.210 1.244 7.643 381 HG LEU 46 HG LEU 46 -0.063 2.924 6.763 382 HD11 LEU 46 1HD1 LEU 46 -2.307 4.442 7.529 383 HD12 LEU 46 2HD1 LEU 46 -0.647 5.014 7.348 384 HD13 LEU 46 3HD1 LEU 46 -1.224 4.457 8.921 385 HD21 LEU 46 3HD2 LEU 46 -0.030 1.183 8.555 386 HD22 LEU 46 1HD2 LEU 46 -1.023 2.241 9.558 387 HD23 LEU 46 2HD2 LEU 46 0.608 2.733 9.102 388 H GLU 47 H GLU 47 -3.989 2.269 4.874 389 HA GLU 47 HA GLU 47 -5.488 -0.094 4.865 390 HB2 GLU 47 2HB GLU 47 -5.562 2.554 3.688 391 HB3 GLU 47 1HB GLU 47 -6.254 1.367 2.587 392 HG2 GLU 47 2HG GLU 47 -7.117 0.914 5.331 393 HG3 GLU 47 1HG GLU 47 -7.535 2.537 4.780 394 H ARG 48 H ARG 48 -3.354 1.204 2.328 395 HA ARG 48 HA ARG 48 -3.784 -0.932 0.435 396 HB2 ARG 48 2HB ARG 48 -1.363 0.866 0.763 397 HB3 ARG 48 1HB ARG 48 -1.950 0.134 -0.731 398 HG2 ARG 48 2HG ARG 48 -3.937 1.801 0.690 399 HG3 ARG 48 1HG ARG 48 -2.549 2.682 0.058 400 HD2 ARG 48 2HD ARG 48 -3.356 2.517 -2.051 401 HD3 ARG 48 1HD ARG 48 -3.492 0.755 -1.897 402 HE ARG 48 HE ARG 48 -5.675 1.191 -0.678 403 HH11 ARG 48 1HH1 ARG 48 -5.672 2.005 -3.666 404 HH12 ARG 48 2HH1 ARG 48 -6.540 3.501 -3.578 405 HH21 ARG 48 1HH2 ARG 48 -6.191 3.806 -0.143 406 HH22 ARG 48 2HH2 ARG 48 -6.834 4.520 -1.584 407 H VAL 49 H VAL 49 -1.032 -0.194 2.591 408 HA VAL 49 HA VAL 49 0.411 -2.604 2.174 409 HB VAL 49 HB VAL 49 0.241 -0.386 4.158 410 HG11 VAL 49 1HG1 VAL 49 0.292 -2.470 5.579 411 HG12 VAL 49 2HG1 VAL 49 1.725 -1.468 5.755 412 HG13 VAL 49 3HG1 VAL 49 1.792 -2.929 4.775 413 HG21 VAL 49 3HG2 VAL 49 2.341 0.080 3.359 414 HG22 VAL 49 1HG2 VAL 49 1.775 -0.889 1.999 415 HG23 VAL 49 2HG2 VAL 49 2.791 -1.621 3.241 416 H ARG 50 H ARG 50 -1.769 -1.760 4.901 417 HA ARG 50 HA ARG 50 -1.821 -4.076 6.348 418 HB2 ARG 50 2HB ARG 50 -3.787 -2.010 5.572 419 HB3 ARG 50 1HB ARG 50 -4.485 -3.495 6.217 420 HG2 ARG 50 2HG ARG 50 -4.042 -2.645 8.264 421 HG3 ARG 50 1HG ARG 50 -2.348 -3.003 7.919 422 HD2 ARG 50 2HD ARG 50 -2.147 -0.733 6.853 423 HD3 ARG 50 1HD ARG 50 -3.791 -0.379 7.421 424 HE ARG 50 HE ARG 50 -1.489 -0.271 9.076 425 HH11 ARG 50 1HH2 ARG 50 -4.815 -1.049 9.005 426 HH12 ARG 50 2HH2 ARG 50 -4.922 -1.390 10.701 427 HH21 ARG 50 1HH1 ARG 50 -1.523 -1.001 11.263 428 HH22 ARG 50 2HH1 ARG 50 -3.058 -1.361 11.979 429 H ARG 51 H ARG 51 -3.748 -3.534 3.398 430 HA ARG 51 HA ARG 51 -4.982 -6.034 3.135 431 HB2 ARG 51 2HB ARG 51 -5.453 -4.312 1.556 432 HB3 ARG 51 1HB ARG 51 -3.746 -4.096 1.168 433 HG2 ARG 51 2HG ARG 51 -5.042 -6.760 0.669 434 HG3 ARG 51 1HG ARG 51 -5.290 -5.447 -0.483 435 HD2 ARG 51 2HD ARG 51 -2.605 -5.252 -0.182 436 HD3 ARG 51 1HD ARG 51 -2.811 -6.990 0.113 437 HE ARG 51 HE ARG 51 -3.212 -5.661 -2.432 438 HH11 ARG 51 1HH1 ARG 51 -4.241 -8.205 -0.342 439 HH12 ARG 51 2HH1 ARG 51 -4.930 -9.153 -1.617 440 HH21 ARG 51 1HH2 ARG 51 -4.143 -6.867 -4.102 441 HH22 ARG 51 2HH2 ARG 51 -4.876 -8.395 -3.745 442 H LEU 52 H LEU 52 -1.703 -5.062 2.089 443 HA LEU 52 HA LEU 52 -0.860 -7.595 1.086 444 HB2 LEU 52 2HB LEU 52 0.653 -5.349 2.460 445 HB3 LEU 52 1HB LEU 52 1.406 -6.629 1.509 446 HG LEU 52 HG LEU 52 -0.686 -4.707 0.449 447 HD11 LEU 52 1HD1 LEU 52 0.971 -3.268 -0.090 448 HD12 LEU 52 2HD1 LEU 52 1.988 -4.568 -0.710 449 HD13 LEU 52 3HD1 LEU 52 1.998 -4.184 1.011 450 HD21 LEU 52 3HD2 LEU 52 1.039 -6.075 -1.460 451 HD22 LEU 52 1HD2 LEU 52 -0.721 -5.998 -1.406 452 HD23 LEU 52 2HD2 LEU 52 0.136 -7.221 -0.469 453 H GLU 53 H GLU 53 -1.218 -6.368 4.346 454 HA GLU 53 HA GLU 53 0.454 -8.279 5.707 455 HB2 GLU 53 2HB GLU 53 -1.146 -6.035 6.268 456 HB3 GLU 53 1HB GLU 53 -1.870 -7.351 7.193 457 HG2 GLU 53 2HG GLU 53 0.944 -7.605 7.467 458 HG3 GLU 53 1HG GLU 53 0.553 -5.906 7.734 459 H ARG 54 H ARG 54 -3.125 -8.134 5.430 460 HA ARG 54 HA ARG 54 -3.818 -10.563 6.588 461 HB2 ARG 54 2HB ARG 54 -4.888 -9.223 4.081 462 HB3 ARG 54 1HB ARG 54 -5.749 -10.469 4.984 463 HG2 ARG 54 2HG ARG 54 -4.889 -8.503 6.858 464 HG3 ARG 54 1HG ARG 54 -5.644 -7.654 5.510 465 HD2 ARG 54 2HD ARG 54 -7.527 -9.455 5.728 466 HD3 ARG 54 1HD ARG 54 -6.855 -9.711 7.351 467 HE ARG 54 HE ARG 54 -7.064 -7.111 7.525 468 HH11 ARG 54 1HH1 ARG 54 -8.649 -8.030 4.787 469 HH12 ARG 54 2HH1 ARG 54 -10.225 -7.501 5.272 470 HH21 ARG 54 1HH2 ARG 54 -9.304 -6.920 8.565 471 HH22 ARG 54 2HH2 ARG 54 -10.597 -6.873 7.412 472 H GLN 55 H GLN 55 -2.518 -10.031 3.324 473 HA GLN 55 HA GLN 55 -2.773 -12.854 2.574 474 HB2 GLN 55 2HB GLN 55 -1.211 -10.579 1.308 475 HB3 GLN 55 1HB GLN 55 -1.737 -12.063 0.513 476 HG2 GLN 55 2HG GLN 55 -3.934 -10.620 1.816 477 HG3 GLN 55 1HG GLN 55 -3.148 -9.683 0.545 478 HE21 GLN 55 1HE2 GLN 55 -5.615 -10.298 -0.222 479 HE22 GLN 55 2HE2 GLN 55 -5.680 -11.646 -1.253 480 H GLY 56 H GLY 56 -0.859 -11.483 4.794 481 HA2 GLY 56 2HA GLY 56 1.171 -12.123 5.779 482 HA3 GLY 56 1HA GLY 56 1.084 -13.584 4.796 483 H PHE 57 H PHE 57 1.604 -10.081 4.201 484 HA PHE 57 HA PHE 57 4.032 -10.832 2.618 485 HB2 PHE 57 2HB PHE 57 1.704 -9.045 1.871 486 HB3 PHE 57 1HB PHE 57 3.241 -9.004 1.011 487 HD1 PHE 57 2HD PHE 57 3.980 -11.906 1.130 488 HD2 PHE 57 1HD PHE 57 0.236 -9.987 0.264 489 HE1 PHE 57 2HE PHE 57 3.284 -13.871 -0.212 490 HE2 PHE 57 1HE PHE 57 -0.460 -11.951 -1.080 491 HZ PHE 57 HZ PHE 57 1.064 -13.893 -1.317 492 H ILE 58 H ILE 58 3.124 -9.354 5.308 493 HA ILE 58 HA ILE 58 5.150 -7.177 5.003 494 HB ILE 58 HB ILE 58 2.631 -6.792 6.595 495 HG12 ILE 58 2HG1 ILE 58 1.973 -7.543 4.294 496 HG13 ILE 58 1HG1 ILE 58 1.515 -5.873 4.628 497 HG21 ILE 58 1HG2 ILE 58 4.903 -5.280 6.163 498 HG22 ILE 58 2HG2 ILE 58 3.349 -4.642 6.698 499 HG23 ILE 58 3HG2 ILE 58 3.772 -4.612 4.985 500 HD11 ILE 58 3HD1 ILE 58 3.124 -6.824 2.497 501 HD12 ILE 58 1HD1 ILE 58 4.196 -5.933 3.578 502 HD13 ILE 58 2HD1 ILE 58 2.768 -5.146 2.906 503 H GLN 59 H GLN 59 5.864 -9.548 6.130 504 HA GLN 59 HA GLN 59 5.460 -9.433 9.052 505 HB2 GLN 59 2HB GLN 59 6.967 -11.479 8.893 506 HB3 GLN 59 1HB GLN 59 5.471 -11.596 7.966 507 HG2 GLN 59 2HG GLN 59 6.581 -11.689 5.999 508 HG3 GLN 59 1HG GLN 59 7.637 -10.348 6.445 509 HE21 GLN 59 1HE2 GLN 59 9.502 -11.580 5.567 510 HE22 GLN 59 2HE2 GLN 59 10.171 -12.861 6.457 511 H GLY 60 H GLY 60 7.548 -8.104 6.746 512 HA2 GLY 60 2HA GLY 60 9.455 -7.307 8.890 513 HA3 GLY 60 1HA GLY 60 10.087 -7.935 7.367 514 H TYR 61 H TYR 61 8.118 -6.734 5.658 515 HA TYR 61 HA TYR 61 9.267 -4.145 5.212 516 HB2 TYR 61 2HB TYR 61 6.667 -5.404 4.292 517 HB3 TYR 61 1HB TYR 61 7.440 -4.009 3.541 518 HD1 TYR 61 1HD TYR 61 10.324 -4.927 3.880 519 HD2 TYR 61 2HD TYR 61 6.812 -6.958 2.467 520 HE1 TYR 61 1HE TYR 61 11.744 -6.439 2.522 521 HE2 TYR 61 2HE TYR 61 8.233 -8.470 1.111 522 HH TYR 61 HH TYR 61 10.348 -9.167 0.749 523 H THR 62 H THR 62 5.847 -3.987 5.162 524 HA THR 62 HA THR 62 5.902 -1.771 7.056 525 HB THR 62 HB THR 62 3.312 -2.861 6.181 526 HG1 THR 62 1HG THR 62 3.711 -2.955 4.116 527 HG21 THR 62 3HG2 THR 62 3.580 -0.401 5.081 528 HG22 THR 62 1HG2 THR 62 4.767 -0.297 6.381 529 HG23 THR 62 2HG2 THR 62 3.081 -0.670 6.752 530 H ALA 63 H ALA 63 6.054 -4.962 7.598 531 HA ALA 63 HA ALA 63 4.055 -5.887 9.228 532 HB1 ALA 63 1HB ALA 63 6.519 -6.677 8.666 533 HB2 ALA 63 2HB ALA 63 5.720 -7.265 10.124 534 HB3 ALA 63 3HB ALA 63 6.888 -5.948 10.228 535 H LEU 64 H LEU 64 6.222 -3.201 9.900 536 HA LEU 64 HA LEU 64 5.909 -2.920 12.694 537 HB2 LEU 64 2HB LEU 64 6.381 -0.483 12.135 538 HB3 LEU 64 1HB LEU 64 7.514 -1.634 11.431 539 HG LEU 64 HG LEU 64 5.585 -1.535 9.491 540 HD11 LEU 64 1HD1 LEU 64 5.926 1.323 10.405 541 HD12 LEU 64 2HD1 LEU 64 4.542 0.350 10.904 542 HD13 LEU 64 3HD1 LEU 64 4.811 0.688 9.194 543 HD21 LEU 64 3HD2 LEU 64 7.199 0.158 8.405 544 HD22 LEU 64 1HD2 LEU 64 7.890 -1.378 8.931 545 HD23 LEU 64 2HD2 LEU 64 8.110 0.071 9.912 546 H LEU 65 H LEU 65 3.861 -1.724 10.063 547 HA LEU 65 HA LEU 65 2.079 -0.051 11.321 548 HB2 LEU 65 2HB LEU 65 0.479 -0.791 9.652 549 HB3 LEU 65 1HB LEU 65 2.087 -0.889 8.933 550 HG LEU 65 HG LEU 65 1.813 -3.369 10.118 551 HD11 LEU 65 1HD1 LEU 65 -0.797 -2.263 9.926 552 HD12 LEU 65 2HD1 LEU 65 -0.361 -3.924 10.326 553 HD13 LEU 65 3HD1 LEU 65 -0.663 -3.471 8.649 554 HD21 LEU 65 3HD2 LEU 65 0.782 -3.181 7.358 555 HD22 LEU 65 1HD2 LEU 65 2.180 -4.058 7.980 556 HD23 LEU 65 2HD2 LEU 65 2.306 -2.335 7.629 557 H ASN 66 H ASN 66 1.668 -0.517 13.528 558 HA ASN 66 HA ASN 66 -0.545 -2.147 14.203 559 HB2 ASN 66 2HB ASN 66 1.819 -3.604 13.615 560 HB3 ASN 66 1HB ASN 66 1.607 -3.689 15.365 561 HD21 ASN 66 1HD2 ASN 66 1.145 -6.089 14.689 562 HD22 ASN 66 2HD2 ASN 66 -0.466 -6.469 14.312 Start of MODEL 5 1 H1 MET 1 1HT MET 1 12.552 -8.616 -14.589 2 H2 MET 1 2HT MET 1 12.902 -9.104 -13.000 3 H3 MET 1 3HT MET 1 13.787 -7.845 -13.717 4 HA MET 1 HA MET 1 12.076 -7.068 -12.095 5 HB2 MET 1 2HB MET 1 11.278 -5.343 -13.779 6 HB3 MET 1 1HB MET 1 13.020 -5.618 -13.787 7 HG2 MET 1 2HG MET 1 12.813 -7.112 -15.707 8 HG3 MET 1 1HG MET 1 11.057 -6.963 -15.667 9 HE1 MET 1 2HE MET 1 11.539 -6.385 -18.355 10 HE2 MET 1 3HE MET 1 10.891 -4.760 -18.567 11 HE3 MET 1 1HE MET 1 10.100 -5.894 -17.464 12 H VAL 2 H VAL 2 11.089 -9.611 -13.898 13 HA VAL 2 HA VAL 2 8.191 -8.870 -13.868 14 HB VAL 2 HB VAL 2 8.067 -10.968 -15.308 15 HG11 VAL 2 1HG1 VAL 2 8.927 -9.855 -17.277 16 HG12 VAL 2 2HG1 VAL 2 10.009 -8.861 -16.299 17 HG13 VAL 2 3HG1 VAL 2 8.263 -8.620 -16.207 18 HG21 VAL 2 3HG2 VAL 2 10.373 -11.710 -14.270 19 HG22 VAL 2 1HG2 VAL 2 11.052 -10.728 -15.570 20 HG23 VAL 2 2HG2 VAL 2 10.007 -12.097 -15.952 21 H ASP 3 H ASP 3 10.417 -10.317 -11.882 22 HA ASP 3 HA ASP 3 8.302 -11.832 -10.453 23 HB2 ASP 3 2HB ASP 3 10.038 -13.761 -10.339 24 HB3 ASP 3 1HB ASP 3 9.167 -13.541 -11.857 25 H SER 4 H SER 4 8.658 -10.111 -8.853 26 HA SER 4 HA SER 4 10.725 -10.778 -6.908 27 HB2 SER 4 2HB SER 4 11.014 -8.542 -8.871 28 HB3 SER 4 1HB SER 4 11.565 -8.250 -7.222 29 HG SER 4 HG SER 4 12.552 -10.511 -7.643 30 H LYS 5 H LYS 5 10.044 -10.069 -4.894 31 HA LYS 5 HA LYS 5 8.478 -9.207 -3.327 32 HB2 LYS 5 2HB LYS 5 9.186 -6.903 -5.171 33 HB3 LYS 5 1HB LYS 5 8.327 -6.684 -3.646 34 HG2 LYS 5 2HG LYS 5 10.172 -7.510 -2.374 35 HG3 LYS 5 1HG LYS 5 10.975 -8.136 -3.814 36 HD2 LYS 5 2HD LYS 5 10.354 -5.208 -3.683 37 HD3 LYS 5 1HD LYS 5 11.722 -5.821 -2.753 38 HE2 LYS 5 2HE LYS 5 12.955 -6.300 -4.638 39 HE3 LYS 5 1HE LYS 5 11.521 -6.760 -5.578 40 HZ1 LYS 5 3HZ LYS 5 11.444 -4.709 -6.398 41 HZ2 LYS 5 1HZ LYS 5 12.809 -4.264 -5.497 42 HZ3 LYS 5 2HZ LYS 5 11.258 -4.073 -4.834 43 H LYS 6 H LYS 6 6.671 -10.548 -4.246 44 HA LYS 6 HA LYS 6 4.361 -8.931 -4.893 45 HB2 LYS 6 2HB LYS 6 5.479 -8.780 -7.046 46 HB3 LYS 6 1HB LYS 6 5.732 -10.526 -7.081 47 HG2 LYS 6 2HG LYS 6 3.353 -10.932 -7.249 48 HG3 LYS 6 1HG LYS 6 2.998 -9.222 -7.000 49 HD2 LYS 6 2HD LYS 6 4.495 -10.406 -9.359 50 HD3 LYS 6 1HD LYS 6 2.853 -9.764 -9.388 51 HE2 LYS 6 2HE LYS 6 4.304 -7.677 -8.269 52 HE3 LYS 6 1HE LYS 6 5.400 -8.321 -9.508 53 HZ1 LYS 6 3HZ LYS 6 4.055 -7.009 -10.793 54 HZ2 LYS 6 1HZ LYS 6 2.692 -7.227 -9.807 55 HZ3 LYS 6 2HZ LYS 6 3.182 -8.464 -10.864 56 H ARG 7 H ARG 7 3.726 -10.343 -3.040 57 HA ARG 7 HA ARG 7 3.554 -13.225 -3.386 58 HB2 ARG 7 2HB ARG 7 3.146 -11.199 -1.369 59 HB3 ARG 7 1HB ARG 7 1.784 -12.320 -1.376 60 HG2 ARG 7 2HG ARG 7 4.706 -13.121 -1.236 61 HG3 ARG 7 1HG ARG 7 3.587 -13.105 0.127 62 HD2 ARG 7 2HD ARG 7 2.183 -14.799 -0.958 63 HD3 ARG 7 1HD ARG 7 3.231 -14.774 -2.390 64 HE ARG 7 HE ARG 7 3.800 -16.272 -0.059 65 HH11 ARG 7 1HH2 ARG 7 5.435 -16.546 -2.510 66 HH12 ARG 7 2HH2 ARG 7 6.970 -15.911 -2.020 67 HH21 ARG 7 1HH1 ARG 7 5.709 -14.299 0.778 68 HH22 ARG 7 2HH1 ARG 7 7.125 -14.639 -0.158 69 HA PRO 8 HA PRO 8 -1.100 -12.365 -3.968 70 HB2 PRO 8 2HB PRO 8 -1.914 -9.754 -4.147 71 HB3 PRO 8 1HB PRO 8 -1.806 -10.633 -2.609 72 HG2 PRO 8 2HG PRO 8 0.090 -8.670 -3.806 73 HG3 PRO 8 1HG PRO 8 -0.397 -8.880 -2.117 74 HD2 PRO 8 2HD PRO 8 1.969 -9.801 -3.126 75 HD3 PRO 8 1HD PRO 8 1.133 -10.549 -1.749 76 H GLY 9 H GLY 9 0.766 -9.695 -5.463 77 HA2 GLY 9 2HA GLY 9 1.092 -9.155 -7.722 78 HA3 GLY 9 1HA GLY 9 0.661 -10.825 -8.090 79 H LYS 10 H LYS 10 -1.738 -11.312 -8.034 80 HA LYS 10 HA LYS 10 -3.184 -9.192 -9.485 81 HB2 LYS 10 2HB LYS 10 -4.674 -10.984 -10.040 82 HB3 LYS 10 1HB LYS 10 -3.064 -11.703 -10.025 83 HG2 LYS 10 2HG LYS 10 -3.921 -11.900 -7.374 84 HG3 LYS 10 1HG LYS 10 -5.358 -12.284 -8.323 85 HD2 LYS 10 2HD LYS 10 -4.358 -14.128 -9.343 86 HD3 LYS 10 1HD LYS 10 -2.725 -13.516 -9.075 87 HE2 LYS 10 2HE LYS 10 -2.633 -14.328 -6.911 88 HE3 LYS 10 1HE LYS 10 -4.375 -14.116 -6.652 89 HZ1 LYS 10 3HZ LYS 10 -3.541 -16.484 -7.009 90 HZ2 LYS 10 1HZ LYS 10 -3.319 -16.044 -8.632 91 HZ3 LYS 10 2HZ LYS 10 -4.871 -15.985 -7.942 92 H ASP 11 H ASP 11 -2.640 -9.534 -6.329 93 HA ASP 11 HA ASP 11 -5.400 -8.650 -5.579 94 HB2 ASP 11 2HB ASP 11 -3.561 -10.704 -4.367 95 HB3 ASP 11 1HB ASP 11 -4.772 -9.900 -3.369 96 H LEU 12 H LEU 12 -4.138 -6.520 -5.966 97 HA LEU 12 HA LEU 12 -3.491 -5.322 -3.452 98 HB2 LEU 12 2HB LEU 12 -1.086 -5.215 -3.617 99 HB3 LEU 12 1HB LEU 12 -1.553 -6.902 -3.839 100 HG LEU 12 HG LEU 12 -1.692 -6.059 -6.390 101 HD11 LEU 12 1HD1 LEU 12 -0.962 -3.807 -6.027 102 HD12 LEU 12 2HD1 LEU 12 0.411 -4.660 -6.733 103 HD13 LEU 12 3HD1 LEU 12 0.370 -4.336 -4.999 104 HD21 LEU 12 3HD2 LEU 12 -0.437 -7.996 -5.835 105 HD22 LEU 12 1HD2 LEU 12 0.654 -7.087 -4.788 106 HD23 LEU 12 2HD2 LEU 12 0.748 -6.894 -6.539 107 H ASP 13 H ASP 13 -3.504 -3.082 -3.693 108 HA ASP 13 HA ASP 13 -4.085 -1.997 -6.349 109 HB2 ASP 13 2HB ASP 13 -5.045 -1.381 -4.018 110 HB3 ASP 13 1HB ASP 13 -3.553 -0.467 -3.799 111 H ARG 14 H ARG 14 -2.820 -0.298 -7.358 112 HA ARG 14 HA ARG 14 -0.115 -0.736 -7.723 113 HB2 ARG 14 2HB ARG 14 -1.723 1.837 -7.731 114 HB3 ARG 14 1HB ARG 14 -0.102 1.705 -8.414 115 HG2 ARG 14 2HG ARG 14 -1.978 -0.397 -9.298 116 HG3 ARG 14 1HG ARG 14 -2.402 1.234 -9.819 117 HD2 ARG 14 2HD ARG 14 0.444 0.837 -10.138 118 HD3 ARG 14 1HD ARG 14 -0.447 -0.453 -10.972 119 HE ARG 14 HE ARG 14 -1.704 2.107 -11.422 120 HH11 ARG 14 1HH1 ARG 14 1.014 0.152 -12.254 121 HH12 ARG 14 2HH1 ARG 14 1.184 0.830 -13.838 122 HH21 ARG 14 1HH2 ARG 14 -1.513 2.982 -13.498 123 HH22 ARG 14 2HH2 ARG 14 -0.246 2.432 -14.543 124 H ILE 15 H ILE 15 -1.653 1.016 -5.083 125 HA ILE 15 HA ILE 15 0.764 2.235 -4.053 126 HB ILE 15 HB ILE 15 -1.816 1.556 -2.632 127 HG12 ILE 15 2HG1 ILE 15 -2.456 2.643 -4.676 128 HG13 ILE 15 1HG1 ILE 15 -2.492 3.883 -3.422 129 HG21 ILE 15 1HG2 ILE 15 0.570 3.103 -2.004 130 HG22 ILE 15 2HG2 ILE 15 -0.760 2.625 -0.948 131 HG23 ILE 15 3HG2 ILE 15 -0.889 4.092 -1.918 132 HD11 ILE 15 3HD1 ILE 15 -1.219 5.046 -4.925 133 HD12 ILE 15 1HD1 ILE 15 -0.654 3.582 -5.731 134 HD13 ILE 15 2HD1 ILE 15 0.090 4.100 -4.218 135 H ASP 16 H ASP 16 -0.603 -0.937 -3.835 136 HA ASP 16 HA ASP 16 0.787 -1.627 -1.337 137 HB2 ASP 16 2HB ASP 16 -0.613 -3.338 -3.423 138 HB3 ASP 16 1HB ASP 16 -0.226 -3.820 -1.773 139 H ARG 17 H ARG 17 1.074 -2.537 -4.795 140 HA ARG 17 HA ARG 17 3.384 -4.172 -4.517 141 HB2 ARG 17 2HB ARG 17 3.646 -3.401 -7.022 142 HB3 ARG 17 1HB ARG 17 2.242 -4.358 -6.554 143 HG2 ARG 17 2HG ARG 17 0.823 -2.668 -7.037 144 HG3 ARG 17 1HG ARG 17 1.792 -1.508 -6.131 145 HD2 ARG 17 2HD ARG 17 2.414 -0.613 -8.122 146 HD3 ARG 17 1HD ARG 17 3.306 -2.114 -8.439 147 HE ARG 17 HE ARG 17 0.485 -1.596 -9.276 148 HH11 ARG 17 1HH1 ARG 17 2.163 -4.324 -8.598 149 HH12 ARG 17 2HH1 ARG 17 2.207 -4.958 -10.209 150 HH21 ARG 17 1HH2 ARG 17 1.071 -2.027 -11.676 151 HH22 ARG 17 2HH2 ARG 17 1.590 -3.657 -11.952 152 H ASN 18 H ASN 18 3.163 -0.712 -5.343 153 HA ASN 18 HA ASN 18 6.008 -0.302 -5.485 154 HB2 ASN 18 2HB ASN 18 5.354 2.073 -5.405 155 HB3 ASN 18 1HB ASN 18 4.239 1.184 -6.444 156 HD21 ASN 18 1HD2 ASN 18 3.614 3.678 -4.997 157 HD22 ASN 18 2HD2 ASN 18 2.350 3.309 -3.926 158 H ILE 19 H ILE 19 3.617 -0.068 -2.863 159 HA ILE 19 HA ILE 19 5.384 1.015 -0.880 160 HB ILE 19 HB ILE 19 2.797 -0.506 -0.980 161 HG12 ILE 19 2HG1 ILE 19 3.617 2.114 0.318 162 HG13 ILE 19 1HG1 ILE 19 2.913 1.968 -1.292 163 HG21 ILE 19 1HG2 ILE 19 4.653 -0.345 1.340 164 HG22 ILE 19 2HG2 ILE 19 3.414 -1.545 0.971 165 HG23 ILE 19 3HG2 ILE 19 2.956 0.010 1.667 166 HD11 ILE 19 3HD1 ILE 19 1.631 1.560 1.381 167 HD12 ILE 19 1HD1 ILE 19 1.051 0.598 0.021 168 HD13 ILE 19 2HD1 ILE 19 0.993 2.360 -0.056 169 H LEU 20 H LEU 20 4.833 -2.236 -2.132 170 HA LEU 20 HA LEU 20 6.250 -3.637 -0.018 171 HB2 LEU 20 2HB LEU 20 5.372 -4.222 -2.853 172 HB3 LEU 20 1HB LEU 20 6.274 -5.409 -1.910 173 HG LEU 20 HG LEU 20 3.777 -4.088 -0.845 174 HD11 LEU 20 1HD1 LEU 20 2.795 -5.167 -2.633 175 HD12 LEU 20 2HD1 LEU 20 2.880 -6.519 -1.505 176 HD13 LEU 20 3HD1 LEU 20 4.096 -6.349 -2.771 177 HD21 LEU 20 3HD2 LEU 20 5.598 -5.434 0.525 178 HD22 LEU 20 1HD2 LEU 20 4.784 -6.834 -0.173 179 HD23 LEU 20 2HD2 LEU 20 3.882 -5.699 0.831 180 H ASN 21 H ASN 21 7.136 -2.556 -3.319 181 HA ASN 21 HA ASN 21 9.842 -3.472 -3.263 182 HB2 ASN 21 2HB ASN 21 8.815 -2.816 -5.325 183 HB3 ASN 21 1HB ASN 21 8.360 -1.240 -4.675 184 HD21 ASN 21 1HD2 ASN 21 9.886 0.457 -4.854 185 HD22 ASN 21 2HD2 ASN 21 11.453 0.255 -5.474 186 H GLU 22 H GLU 22 8.260 -0.633 -1.928 187 HA GLU 22 HA GLU 22 10.704 0.838 -1.356 188 HB2 GLU 22 2HB GLU 22 7.801 0.963 -0.528 189 HB3 GLU 22 1HB GLU 22 8.993 2.061 0.168 190 HG2 GLU 22 2HG GLU 22 9.233 1.894 -2.735 191 HG3 GLU 22 1HG GLU 22 7.629 2.431 -2.237 192 H LEU 23 H LEU 23 8.606 -1.406 0.418 193 HA LEU 23 HA LEU 23 9.870 -1.118 2.988 194 HB2 LEU 23 2HB LEU 23 7.996 -2.923 1.565 195 HB3 LEU 23 1HB LEU 23 8.859 -3.661 2.914 196 HG LEU 23 HG LEU 23 6.762 -2.670 3.709 197 HD11 LEU 23 1HD1 LEU 23 7.792 -2.023 5.609 198 HD12 LEU 23 2HD1 LEU 23 8.513 -0.623 4.816 199 HD13 LEU 23 3HD1 LEU 23 9.318 -2.189 4.739 200 HD21 LEU 23 3HD2 LEU 23 7.231 0.094 3.520 201 HD22 LEU 23 1HD2 LEU 23 6.010 -0.829 2.645 202 HD23 LEU 23 2HD2 LEU 23 7.589 -0.541 1.916 203 H GLN 24 H GLN 24 10.473 -3.222 0.187 204 HA GLN 24 HA GLN 24 12.540 -4.802 1.475 205 HB2 GLN 24 2HB GLN 24 11.125 -4.598 -1.036 206 HB3 GLN 24 1HB GLN 24 12.854 -4.751 -1.345 207 HG2 GLN 24 2HG GLN 24 11.781 -6.539 0.757 208 HG3 GLN 24 1HG GLN 24 11.220 -6.875 -0.881 209 HE21 GLN 24 1HE2 GLN 24 13.856 -7.293 1.286 210 HE22 GLN 24 2HE2 GLN 24 14.989 -7.862 0.157 211 H LYS 25 H LYS 25 12.476 -1.868 -0.522 212 HA LYS 25 HA LYS 25 15.399 -1.700 -0.680 213 HB2 LYS 25 2HB LYS 25 14.738 -0.431 -2.439 214 HB3 LYS 25 1HB LYS 25 13.064 -0.570 -1.908 215 HG2 LYS 25 2HG LYS 25 13.337 1.357 -0.427 216 HG3 LYS 25 1HG LYS 25 15.046 1.470 -0.853 217 HD2 LYS 25 2HD LYS 25 14.556 2.107 -3.091 218 HD3 LYS 25 1HD LYS 25 12.870 1.607 -2.945 219 HE2 LYS 25 2HE LYS 25 12.335 3.718 -2.319 220 HE3 LYS 25 1HE LYS 25 13.370 3.530 -0.889 221 HZ1 LYS 25 3HZ LYS 25 15.296 4.046 -2.292 222 HZ2 LYS 25 1HZ LYS 25 14.189 5.331 -2.263 223 HZ3 LYS 25 2HZ LYS 25 14.266 4.308 -3.618 224 H ASP 26 H ASP 26 12.876 -0.558 1.436 225 HA ASP 26 HA ASP 26 14.953 0.962 2.960 226 HB2 ASP 26 2HB ASP 26 12.347 1.691 1.867 227 HB3 ASP 26 1HB ASP 26 12.429 1.998 3.603 228 H GLY 27 H GLY 27 15.074 -1.389 3.910 229 HA2 GLY 27 2HA GLY 27 12.919 -2.390 5.525 230 HA3 GLY 27 1HA GLY 27 14.614 -2.854 5.689 231 H ARG 28 H ARG 28 12.631 0.064 6.277 232 HA ARG 28 HA ARG 28 13.149 0.151 9.096 233 HB2 ARG 28 2HB ARG 28 14.772 2.140 8.892 234 HB3 ARG 28 1HB ARG 28 15.427 0.550 8.501 235 HG2 ARG 28 2HG ARG 28 16.157 1.832 6.683 236 HG3 ARG 28 1HG ARG 28 14.666 1.131 6.057 237 HD2 ARG 28 2HD ARG 28 14.870 3.618 5.640 238 HD3 ARG 28 1HD ARG 28 13.434 3.181 6.584 239 HE ARG 28 HE ARG 28 15.703 3.638 8.315 240 HH11 ARG 28 1HH2 ARG 28 12.636 4.672 7.686 241 HH12 ARG 28 2HH2 ARG 28 12.903 6.343 8.054 242 HH21 ARG 28 1HH1 ARG 28 16.351 6.024 8.230 243 HH22 ARG 28 2HH1 ARG 28 15.007 7.109 8.361 244 H ILE 29 H ILE 29 11.038 0.670 7.067 245 HA ILE 29 HA ILE 29 10.404 3.514 7.774 246 HB ILE 29 HB ILE 29 11.025 3.040 5.383 247 HG12 ILE 29 2HG1 ILE 29 8.106 3.763 5.786 248 HG13 ILE 29 1HG1 ILE 29 9.455 4.879 6.004 249 HG21 ILE 29 1HG2 ILE 29 9.950 0.695 5.538 250 HG22 ILE 29 2HG2 ILE 29 9.715 1.597 4.039 251 HG23 ILE 29 3HG2 ILE 29 8.421 1.521 5.236 252 HD11 ILE 29 3HD1 ILE 29 8.230 3.873 3.517 253 HD12 ILE 29 1HD1 ILE 29 9.995 3.846 3.519 254 HD13 ILE 29 2HD1 ILE 29 9.135 5.360 3.804 255 H SER 30 H SER 30 8.181 3.940 8.256 256 HA SER 30 HA SER 30 6.667 1.510 9.076 257 HB2 SER 30 2HB SER 30 6.637 4.432 9.848 258 HB3 SER 30 1HB SER 30 5.397 3.309 10.400 259 HG SER 30 HG SER 30 7.037 3.372 11.917 260 H ASN 31 H ASN 31 5.116 4.595 8.583 261 HA ASN 31 HA ASN 31 3.845 3.618 6.058 262 HB2 ASN 31 2HB ASN 31 1.643 4.282 7.088 263 HB3 ASN 31 1HB ASN 31 2.424 2.941 7.927 264 HD21 ASN 31 1HD2 ASN 31 0.614 5.413 8.777 265 HD22 ASN 31 2HD2 ASN 31 1.403 5.972 10.172 266 H VAL 32 H VAL 32 4.077 6.362 8.367 267 HA VAL 32 HA VAL 32 3.140 8.452 6.784 268 HB VAL 32 HB VAL 32 5.562 8.273 8.611 269 HG11 VAL 32 1HG1 VAL 32 4.071 10.814 8.000 270 HG12 VAL 32 2HG1 VAL 32 5.377 10.283 6.940 271 HG13 VAL 32 3HG1 VAL 32 5.702 10.611 8.642 272 HG21 VAL 32 3HG2 VAL 32 3.129 7.758 9.397 273 HG22 VAL 32 1HG2 VAL 32 2.881 9.496 9.239 274 HG23 VAL 32 2HG2 VAL 32 4.100 8.877 10.353 275 H GLU 33 H GLU 33 6.625 7.615 6.963 276 HA GLU 33 HA GLU 33 7.341 8.982 4.551 277 HB2 GLU 33 2HB GLU 33 8.728 8.000 6.548 278 HB3 GLU 33 1HB GLU 33 8.709 6.509 5.607 279 HG2 GLU 33 2HG GLU 33 10.652 7.506 4.805 280 HG3 GLU 33 1HG GLU 33 9.467 8.101 3.642 281 H LEU 34 H LEU 34 5.992 5.824 5.227 282 HA LEU 34 HA LEU 34 6.505 4.646 2.629 283 HB2 LEU 34 2HB LEU 34 5.610 3.860 5.139 284 HB3 LEU 34 1HB LEU 34 4.173 3.705 4.129 285 HG LEU 34 HG LEU 34 6.888 2.521 3.472 286 HD11 LEU 34 1HD1 LEU 34 4.526 1.521 4.972 287 HD12 LEU 34 2HD1 LEU 34 6.222 1.057 5.104 288 HD13 LEU 34 3HD1 LEU 34 5.228 0.407 3.800 289 HD21 LEU 34 3HD2 LEU 34 5.778 1.466 1.623 290 HD22 LEU 34 1HD2 LEU 34 5.325 3.169 1.563 291 HD23 LEU 34 2HD2 LEU 34 4.191 1.978 2.200 292 H SER 35 H SER 35 4.288 6.963 3.845 293 HA SER 35 HA SER 35 2.197 6.461 1.832 294 HB2 SER 35 2HB SER 35 1.013 8.082 3.074 295 HB3 SER 35 1HB SER 35 1.982 7.240 4.282 296 HG SER 35 HG SER 35 2.274 9.416 4.594 297 H LYS 36 H LYS 36 4.707 8.910 2.503 298 HA LYS 36 HA LYS 36 3.956 10.546 0.189 299 HB2 LYS 36 2HB LYS 36 6.191 10.536 2.232 300 HB3 LYS 36 1HB LYS 36 6.098 11.740 0.946 301 HG2 LYS 36 2HG LYS 36 3.912 12.472 1.725 302 HG3 LYS 36 1HG LYS 36 3.878 11.190 2.934 303 HD2 LYS 36 2HD LYS 36 6.321 12.700 3.195 304 HD3 LYS 36 1HD LYS 36 4.938 13.794 3.232 305 HE2 LYS 36 2HE LYS 36 4.341 11.437 4.798 306 HE3 LYS 36 1HE LYS 36 5.859 12.170 5.354 307 HZ1 LYS 36 3HZ LYS 36 4.505 14.362 4.965 308 HZ2 LYS 36 1HZ LYS 36 4.352 13.503 6.420 309 HZ3 LYS 36 2HZ LYS 36 3.170 13.340 5.212 310 H ARG 37 H ARG 37 6.292 8.000 0.870 311 HA ARG 37 HA ARG 37 8.054 8.517 -1.347 312 HB2 ARG 37 2HB ARG 37 7.405 6.210 0.472 313 HB3 ARG 37 1HB ARG 37 8.533 5.987 -0.867 314 HG2 ARG 37 2HG ARG 37 9.463 8.315 0.195 315 HG3 ARG 37 1HG ARG 37 8.866 7.510 1.644 316 HD2 ARG 37 2HD ARG 37 10.364 5.729 1.435 317 HD3 ARG 37 1HD ARG 37 10.540 5.959 -0.316 318 HE ARG 37 HE ARG 37 11.433 8.278 1.202 319 HH11 ARG 37 1HH1 ARG 37 12.242 5.141 0.014 320 HH12 ARG 37 2HH1 ARG 37 13.947 5.446 -0.009 321 HH21 ARG 37 1HH2 ARG 37 13.655 8.691 1.174 322 HH22 ARG 37 2HH2 ARG 37 14.746 7.453 0.646 323 H VAL 38 H VAL 38 4.924 7.168 -1.135 324 HA VAL 38 HA VAL 38 5.187 5.990 -3.867 325 HB VAL 38 HB VAL 38 2.890 4.966 -3.050 326 HG11 VAL 38 1HG1 VAL 38 4.072 3.045 -2.307 327 HG12 VAL 38 2HG1 VAL 38 5.411 4.010 -1.689 328 HG13 VAL 38 3HG1 VAL 38 5.174 3.845 -3.428 329 HG21 VAL 38 3HG2 VAL 38 2.769 4.708 -0.630 330 HG22 VAL 38 1HG2 VAL 38 2.839 6.429 -1.012 331 HG23 VAL 38 2HG2 VAL 38 4.278 5.597 -0.430 332 H GLY 39 H GLY 39 4.075 8.687 -2.235 333 HA2 GLY 39 2HA GLY 39 3.028 10.574 -3.213 334 HA3 GLY 39 1HA GLY 39 2.612 9.586 -4.611 335 H LEU 40 H LEU 40 1.846 9.076 -1.149 336 HA LEU 40 HA LEU 40 -1.001 9.702 -1.651 337 HB2 LEU 40 2HB LEU 40 -1.567 7.335 -0.789 338 HB3 LEU 40 1HB LEU 40 -0.993 7.465 -2.452 339 HG LEU 40 HG LEU 40 1.260 7.241 -0.703 340 HD11 LEU 40 1HD1 LEU 40 -0.884 5.127 -0.361 341 HD12 LEU 40 2HD1 LEU 40 -0.249 6.186 0.894 342 HD13 LEU 40 3HD1 LEU 40 0.786 4.954 0.176 343 HD21 LEU 40 3HD2 LEU 40 1.309 4.965 -2.063 344 HD22 LEU 40 1HD2 LEU 40 1.587 6.500 -2.883 345 HD23 LEU 40 2HD2 LEU 40 0.004 5.731 -2.966 346 H SER 41 H SER 41 -2.290 9.387 0.397 347 HA SER 41 HA SER 41 -0.850 10.419 2.704 348 HB2 SER 41 2HB SER 41 -3.642 9.511 2.046 349 HB3 SER 41 1HB SER 41 -3.204 9.876 3.712 350 HG SER 41 HG SER 41 -3.145 11.927 3.237 351 HA PRO 42 HA PRO 42 0.234 6.630 4.442 352 HB2 PRO 42 2HB PRO 42 0.242 7.262 7.105 353 HB3 PRO 42 1HB PRO 42 1.479 7.833 5.970 354 HG2 PRO 42 2HG PRO 42 -0.872 9.272 7.084 355 HG3 PRO 42 1HG PRO 42 0.751 9.874 6.719 356 HD2 PRO 42 2HD PRO 42 -1.448 10.270 5.112 357 HD3 PRO 42 1HD PRO 42 0.234 10.301 4.537 358 H THR 43 H THR 43 -2.437 8.198 6.262 359 HA THR 43 HA THR 43 -3.624 6.131 7.599 360 HB THR 43 HB THR 43 -4.616 8.424 5.964 361 HG1 THR 43 1HG THR 43 -3.943 8.350 8.261 362 HG21 THR 43 3HG2 THR 43 -6.364 6.158 6.939 363 HG22 THR 43 1HG2 THR 43 -6.306 6.861 5.323 364 HG23 THR 43 2HG2 THR 43 -6.991 7.783 6.662 365 HA PRO 44 HA PRO 44 -5.468 4.247 3.630 366 HB2 PRO 44 2HB PRO 44 -4.725 5.309 1.215 367 HB3 PRO 44 1HB PRO 44 -6.122 5.901 2.136 368 HG2 PRO 44 2HG PRO 44 -3.394 7.058 1.874 369 HG3 PRO 44 1HG PRO 44 -4.960 7.874 2.004 370 HD2 PRO 44 2HD PRO 44 -3.172 7.590 4.084 371 HD3 PRO 44 1HD PRO 44 -4.916 7.851 4.285 372 H CYS 45 H CYS 45 -2.218 5.626 2.925 373 HA CYS 45 HA CYS 45 -0.983 3.657 1.449 374 HB2 CYS 45 2HB CYS 45 -0.007 5.735 2.594 375 HB3 CYS 45 1HB CYS 45 0.161 4.744 4.041 376 HG CYS 45 HG CYS 45 2.360 4.698 2.441 377 H LEU 46 H LEU 46 -1.400 3.560 4.981 378 HA LEU 46 HA LEU 46 -0.469 0.913 5.400 379 HB2 LEU 46 2HB LEU 46 -2.639 2.545 6.763 380 HB3 LEU 46 1HB LEU 46 -1.827 1.141 7.467 381 HG LEU 46 HG LEU 46 0.172 2.936 6.492 382 HD11 LEU 46 1HD1 LEU 46 -1.015 4.466 8.636 383 HD12 LEU 46 2HD1 LEU 46 -2.145 4.333 7.289 384 HD13 LEU 46 3HD1 LEU 46 -0.534 5.002 7.024 385 HD21 LEU 46 3HD2 LEU 46 -0.729 1.910 9.182 386 HD22 LEU 46 1HD2 LEU 46 0.626 3.029 9.041 387 HD23 LEU 46 2HD2 LEU 46 0.700 1.452 8.253 388 H GLU 47 H GLU 47 -3.769 2.170 4.848 389 HA GLU 47 HA GLU 47 -5.280 -0.148 4.830 390 HB2 GLU 47 2HB GLU 47 -5.369 2.489 3.745 391 HB3 GLU 47 1HB GLU 47 -5.909 1.378 2.489 392 HG2 GLU 47 2HG GLU 47 -6.966 1.337 5.328 393 HG3 GLU 47 1HG GLU 47 -7.751 2.204 4.008 394 H ARG 48 H ARG 48 -3.182 1.072 2.224 395 HA ARG 48 HA ARG 48 -3.640 -1.170 0.450 396 HB2 ARG 48 2HB ARG 48 -1.553 1.015 0.646 397 HB3 ARG 48 1HB ARG 48 -1.645 -0.115 -0.708 398 HG2 ARG 48 2HG ARG 48 -3.244 1.153 -1.654 399 HG3 ARG 48 1HG ARG 48 -4.270 0.906 -0.243 400 HD2 ARG 48 2HD ARG 48 -2.503 2.772 0.716 401 HD3 ARG 48 1HD ARG 48 -2.649 3.258 -0.984 402 HE ARG 48 HE ARG 48 -4.748 3.468 0.986 403 HH11 ARG 48 1HH1 ARG 48 -4.013 4.166 -2.153 404 HH12 ARG 48 2HH1 ARG 48 -5.604 3.924 -2.794 405 HH21 ARG 48 1HH2 ARG 48 -6.846 2.497 0.113 406 HH22 ARG 48 2HH2 ARG 48 -7.208 2.981 -1.511 407 H VAL 49 H VAL 49 -1.090 -0.270 2.760 408 HA VAL 49 HA VAL 49 0.597 -2.551 2.263 409 HB VAL 49 HB VAL 49 0.624 -0.167 3.736 410 HG11 VAL 49 1HG1 VAL 49 0.737 -2.573 5.587 411 HG12 VAL 49 2HG1 VAL 49 -0.415 -1.240 5.662 412 HG13 VAL 49 3HG1 VAL 49 1.286 -0.955 6.023 413 HG21 VAL 49 3HG2 VAL 49 2.765 -2.079 4.391 414 HG22 VAL 49 1HG2 VAL 49 2.862 -0.522 3.570 415 HG23 VAL 49 2HG2 VAL 49 2.416 -1.970 2.667 416 H ARG 50 H ARG 50 -1.873 -1.874 4.763 417 HA ARG 50 HA ARG 50 -1.743 -4.200 6.281 418 HB2 ARG 50 2HB ARG 50 -4.291 -2.902 5.275 419 HB3 ARG 50 1HB ARG 50 -4.047 -3.712 6.823 420 HG2 ARG 50 2HG ARG 50 -2.065 -1.671 6.588 421 HG3 ARG 50 1HG ARG 50 -3.626 -0.956 6.187 422 HD2 ARG 50 2HD ARG 50 -3.727 -2.756 8.518 423 HD3 ARG 50 1HD ARG 50 -2.712 -1.319 8.755 424 HE ARG 50 HE ARG 50 -4.844 -0.157 7.623 425 HH11 ARG 50 1HH2 ARG 50 -6.324 -2.789 8.238 426 HH12 ARG 50 2HH2 ARG 50 -7.123 -2.365 9.714 427 HH21 ARG 50 1HH1 ARG 50 -5.170 0.444 10.277 428 HH22 ARG 50 2HH1 ARG 50 -6.470 -0.535 10.869 429 H ARG 51 H ARG 51 -3.638 -3.702 3.307 430 HA ARG 51 HA ARG 51 -4.693 -6.275 2.948 431 HB2 ARG 51 2HB ARG 51 -5.377 -4.775 1.323 432 HB3 ARG 51 1HB ARG 51 -3.793 -4.009 1.227 433 HG2 ARG 51 2HG ARG 51 -4.432 -5.334 -0.830 434 HG3 ARG 51 1HG ARG 51 -2.912 -5.831 -0.090 435 HD2 ARG 51 2HD ARG 51 -3.866 -7.927 -0.260 436 HD3 ARG 51 1HD ARG 51 -4.651 -7.442 1.257 437 HE ARG 51 HE ARG 51 -5.900 -7.257 -1.447 438 HH11 ARG 51 1HH1 ARG 51 -6.413 -8.530 1.532 439 HH12 ARG 51 2HH1 ARG 51 -7.959 -7.803 1.812 440 HH21 ARG 51 1HH2 ARG 51 -7.734 -5.654 -0.900 441 HH22 ARG 51 2HH2 ARG 51 -8.707 -6.173 0.435 442 H LEU 52 H LEU 52 -1.481 -5.036 2.001 443 HA LEU 52 HA LEU 52 -0.485 -7.486 0.902 444 HB2 LEU 52 2HB LEU 52 0.803 -5.072 2.208 445 HB3 LEU 52 1HB LEU 52 1.726 -6.330 1.387 446 HG LEU 52 HG LEU 52 -0.499 -4.714 0.108 447 HD11 LEU 52 1HD1 LEU 52 2.307 -4.129 0.563 448 HD12 LEU 52 2HD1 LEU 52 1.055 -3.102 -0.136 449 HD13 LEU 52 3HD1 LEU 52 1.955 -4.218 -1.162 450 HD21 LEU 52 3HD2 LEU 52 -0.435 -6.630 -1.178 451 HD22 LEU 52 1HD2 LEU 52 1.235 -6.992 -0.740 452 HD23 LEU 52 2HD2 LEU 52 0.888 -5.747 -1.939 453 H GLU 53 H GLU 53 -1.108 -6.471 4.135 454 HA GLU 53 HA GLU 53 0.813 -8.183 5.493 455 HB2 GLU 53 2HB GLU 53 -0.860 -6.059 6.097 456 HB3 GLU 53 1HB GLU 53 -1.661 -7.413 6.895 457 HG2 GLU 53 2HG GLU 53 1.142 -7.658 7.372 458 HG3 GLU 53 1HG GLU 53 0.678 -5.996 7.735 459 H ARG 54 H ARG 54 -2.747 -8.357 5.063 460 HA ARG 54 HA ARG 54 -3.175 -10.886 6.242 461 HB2 ARG 54 2HB ARG 54 -4.503 -9.485 3.899 462 HB3 ARG 54 1HB ARG 54 -5.196 -10.875 4.734 463 HG2 ARG 54 2HG ARG 54 -4.879 -9.473 6.893 464 HG3 ARG 54 1HG ARG 54 -4.702 -8.098 5.799 465 HD2 ARG 54 2HD ARG 54 -6.934 -8.047 5.350 466 HD3 ARG 54 1HD ARG 54 -7.006 -9.809 5.142 467 HE ARG 54 HE ARG 54 -7.487 -8.363 7.640 468 HH11 ARG 54 1HH1 ARG 54 -6.351 -11.269 6.171 469 HH12 ARG 54 2HH1 ARG 54 -6.786 -12.273 7.512 470 HH21 ARG 54 1HH2 ARG 54 -8.103 -9.667 9.381 471 HH22 ARG 54 2HH2 ARG 54 -7.778 -11.367 9.329 472 H GLN 55 H GLN 55 -2.019 -10.064 2.995 473 HA GLN 55 HA GLN 55 -2.209 -12.783 1.967 474 HB2 GLN 55 2HB GLN 55 -0.946 -10.172 1.134 475 HB3 GLN 55 1HB GLN 55 -0.645 -11.645 0.210 476 HG2 GLN 55 2HG GLN 55 -3.483 -11.131 0.889 477 HG3 GLN 55 1HG GLN 55 -2.758 -9.994 -0.248 478 HE21 GLN 55 1HE2 GLN 55 -4.788 -11.898 -1.037 479 HE22 GLN 55 2HE2 GLN 55 -4.079 -12.994 -2.123 480 H GLY 56 H GLY 56 -0.239 -11.450 4.280 481 HA2 GLY 56 2HA GLY 56 1.648 -12.385 5.346 482 HA3 GLY 56 1HA GLY 56 1.650 -13.663 4.131 483 H PHE 57 H PHE 57 1.799 -10.150 3.585 484 HA PHE 57 HA PHE 57 4.493 -10.576 2.333 485 HB2 PHE 57 2HB PHE 57 2.325 -10.032 0.956 486 HB3 PHE 57 1HB PHE 57 2.550 -8.398 1.579 487 HD1 PHE 57 1HD PHE 57 5.762 -9.408 1.622 488 HD2 PHE 57 2HD PHE 57 2.678 -8.675 -1.280 489 HE1 PHE 57 1HE PHE 57 7.488 -8.993 -0.109 490 HE2 PHE 57 2HE PHE 57 4.407 -8.260 -3.010 491 HZ PHE 57 HZ PHE 57 6.812 -8.419 -2.425 492 H ILE 58 H ILE 58 2.971 -9.216 4.941 493 HA ILE 58 HA ILE 58 5.098 -7.129 5.214 494 HB ILE 58 HB ILE 58 2.300 -6.735 6.242 495 HG12 ILE 58 2HG1 ILE 58 2.164 -7.347 3.808 496 HG13 ILE 58 1HG1 ILE 58 1.657 -5.691 4.137 497 HG21 ILE 58 1HG2 ILE 58 3.002 -4.599 6.579 498 HG22 ILE 58 2HG2 ILE 58 3.867 -4.540 5.045 499 HG23 ILE 58 3HG2 ILE 58 4.618 -5.289 6.453 500 HD11 ILE 58 3HD1 ILE 58 3.761 -6.599 2.414 501 HD12 ILE 58 1HD1 ILE 58 4.473 -5.649 3.718 502 HD13 ILE 58 2HD1 ILE 58 3.217 -4.946 2.699 503 H GLN 59 H GLN 59 5.318 -9.689 6.322 504 HA GLN 59 HA GLN 59 4.353 -9.647 9.096 505 HB2 GLN 59 2HB GLN 59 5.577 -11.792 9.179 506 HB3 GLN 59 1HB GLN 59 4.587 -11.709 7.721 507 HG2 GLN 59 2HG GLN 59 6.439 -11.323 6.330 508 HG3 GLN 59 1HG GLN 59 7.448 -10.775 7.670 509 HE21 GLN 59 1HE2 GLN 59 9.104 -12.317 7.824 510 HE22 GLN 59 2HE2 GLN 59 8.853 -13.994 7.892 511 H GLY 60 H GLY 60 6.867 -8.198 7.418 512 HA2 GLY 60 2HA GLY 60 8.299 -7.622 9.952 513 HA3 GLY 60 1HA GLY 60 9.242 -8.245 8.595 514 H TYR 61 H TYR 61 8.002 -6.943 6.463 515 HA TYR 61 HA TYR 61 9.254 -4.411 6.375 516 HB2 TYR 61 2HB TYR 61 6.832 -5.515 4.925 517 HB3 TYR 61 1HB TYR 61 7.745 -4.101 4.404 518 HD1 TYR 61 1HD TYR 61 10.517 -4.874 4.959 519 HD2 TYR 61 2HD TYR 61 7.288 -7.196 3.341 520 HE1 TYR 61 1HE TYR 61 12.151 -6.349 3.817 521 HE2 TYR 61 2HE TYR 61 8.921 -8.670 2.196 522 HH TYR 61 HH TYR 61 11.144 -8.752 1.490 523 H THR 62 H THR 62 5.929 -4.024 5.677 524 HA THR 62 HA THR 62 5.760 -1.878 7.652 525 HB THR 62 HB THR 62 3.412 -2.823 6.085 526 HG1 THR 62 1HG THR 62 5.379 -1.397 4.724 527 HG21 THR 62 3HG2 THR 62 2.955 -0.773 6.989 528 HG22 THR 62 1HG2 THR 62 3.746 -0.226 5.509 529 HG23 THR 62 2HG2 THR 62 4.656 -0.296 7.017 530 H ALA 63 H ALA 63 5.591 -5.075 8.063 531 HA ALA 63 HA ALA 63 3.238 -5.937 9.167 532 HB1 ALA 63 1HB ALA 63 5.614 -6.957 9.131 533 HB2 ALA 63 2HB ALA 63 4.606 -7.346 10.526 534 HB3 ALA 63 3HB ALA 63 5.865 -6.118 10.661 535 H LEU 64 H LEU 64 5.324 -3.407 10.424 536 HA LEU 64 HA LEU 64 4.361 -3.155 13.066 537 HB2 LEU 64 2HB LEU 64 5.074 -0.739 12.689 538 HB3 LEU 64 1HB LEU 64 6.286 -1.949 12.273 539 HG LEU 64 HG LEU 64 4.823 -1.700 9.929 540 HD11 LEU 64 1HD1 LEU 64 4.737 0.741 9.513 541 HD12 LEU 64 2HD1 LEU 64 5.204 1.034 11.188 542 HD13 LEU 64 3HD1 LEU 64 3.656 0.272 10.825 543 HD21 LEU 64 3HD2 LEU 64 6.839 -0.415 9.148 544 HD22 LEU 64 1HD2 LEU 64 7.242 -1.885 10.034 545 HD23 LEU 64 2HD2 LEU 64 7.367 -0.315 10.827 546 H LEU 65 H LEU 65 3.015 -2.000 10.029 547 HA LEU 65 HA LEU 65 1.120 -0.139 10.734 548 HB2 LEU 65 2HB LEU 65 -0.152 -0.978 8.838 549 HB3 LEU 65 1HB LEU 65 1.560 -1.204 8.482 550 HG LEU 65 HG LEU 65 0.842 -3.537 9.832 551 HD11 LEU 65 1HD1 LEU 65 -1.240 -3.065 7.701 552 HD12 LEU 65 2HD1 LEU 65 -1.560 -2.650 9.386 553 HD13 LEU 65 3HD1 LEU 65 -1.198 -4.318 8.942 554 HD21 LEU 65 3HD2 LEU 65 1.918 -2.723 7.354 555 HD22 LEU 65 1HD2 LEU 65 0.607 -3.837 6.966 556 HD23 LEU 65 2HD2 LEU 65 1.915 -4.352 8.030 557 H ASN 66 H ASN 66 0.392 -0.483 12.926 558 HA ASN 66 HA ASN 66 -2.074 -1.896 13.226 559 HB2 ASN 66 2HB ASN 66 0.028 -3.613 13.062 560 HB3 ASN 66 1HB ASN 66 0.010 -3.316 14.802 561 HD21 ASN 66 1HD2 ASN 66 -1.214 -5.415 12.553 562 HD22 ASN 66 2HD2 ASN 66 -2.650 -5.871 13.336 Start of MODEL 6 1 H1 MET 1 1HT MET 1 17.201 -8.419 -4.224 2 H2 MET 1 2HT MET 1 16.955 -9.055 -5.779 3 H3 MET 1 3HT MET 1 18.519 -8.999 -5.120 4 HA MET 1 HA MET 1 18.015 -11.196 -4.742 5 HB2 MET 1 2HB MET 1 18.590 -9.952 -2.681 6 HB3 MET 1 1HB MET 1 16.880 -9.612 -2.411 7 HG2 MET 1 2HG MET 1 16.501 -11.671 -1.556 8 HG3 MET 1 1HG MET 1 17.409 -12.458 -2.847 9 HE1 MET 1 2HE MET 1 18.452 -14.258 -0.640 10 HE2 MET 1 3HE MET 1 17.070 -13.303 -0.106 11 HE3 MET 1 1HE MET 1 18.530 -13.385 0.888 12 H VAL 2 H VAL 2 15.127 -9.228 -3.960 13 HA VAL 2 HA VAL 2 13.435 -11.557 -4.811 14 HB VAL 2 HB VAL 2 12.980 -9.328 -2.798 15 HG11 VAL 2 1HG1 VAL 2 10.974 -10.267 -4.221 16 HG12 VAL 2 2HG1 VAL 2 10.800 -10.103 -2.473 17 HG13 VAL 2 3HG1 VAL 2 11.149 -11.681 -3.182 18 HG21 VAL 2 3HG2 VAL 2 14.090 -10.780 -1.460 19 HG22 VAL 2 1HG2 VAL 2 14.017 -12.065 -2.666 20 HG23 VAL 2 2HG2 VAL 2 12.657 -11.803 -1.575 21 H ASP 3 H ASP 3 12.918 -11.030 -6.941 22 HA ASP 3 HA ASP 3 12.116 -8.226 -7.567 23 HB2 ASP 3 2HB ASP 3 13.839 -9.605 -8.874 24 HB3 ASP 3 1HB ASP 3 12.482 -10.583 -9.433 25 H SER 4 H SER 4 10.061 -8.771 -6.232 26 HA SER 4 HA SER 4 7.973 -9.711 -8.127 27 HB2 SER 4 2HB SER 4 8.997 -11.106 -5.751 28 HB3 SER 4 1HB SER 4 7.244 -10.913 -5.742 29 HG SER 4 HG SER 4 7.085 -12.110 -7.517 30 H LYS 5 H LYS 5 7.838 -9.240 -4.602 31 HA LYS 5 HA LYS 5 6.559 -7.718 -3.323 32 HB2 LYS 5 2HB LYS 5 7.118 -5.949 -5.729 33 HB3 LYS 5 1HB LYS 5 6.795 -5.413 -4.080 34 HG2 LYS 5 2HG LYS 5 9.063 -7.315 -4.498 35 HG3 LYS 5 1HG LYS 5 9.293 -5.641 -5.003 36 HD2 LYS 5 2HD LYS 5 9.834 -5.235 -2.835 37 HD3 LYS 5 1HD LYS 5 8.100 -5.365 -2.525 38 HE2 LYS 5 2HE LYS 5 8.506 -7.915 -2.313 39 HE3 LYS 5 1HE LYS 5 10.222 -7.487 -2.170 40 HZ1 LYS 5 3HZ LYS 5 9.904 -6.540 -0.176 41 HZ2 LYS 5 1HZ LYS 5 8.462 -7.432 -0.125 42 HZ3 LYS 5 2HZ LYS 5 8.440 -5.811 -0.635 43 H LYS 6 H LYS 6 5.166 -9.478 -5.262 44 HA LYS 6 HA LYS 6 2.523 -8.335 -5.146 45 HB2 LYS 6 2HB LYS 6 2.296 -7.956 -7.622 46 HB3 LYS 6 1HB LYS 6 3.448 -6.858 -6.862 47 HG2 LYS 6 2HG LYS 6 5.089 -7.613 -8.202 48 HG3 LYS 6 1HG LYS 6 4.826 -9.259 -7.625 49 HD2 LYS 6 2HD LYS 6 3.022 -9.562 -9.272 50 HD3 LYS 6 1HD LYS 6 3.252 -7.907 -9.838 51 HE2 LYS 6 2HE LYS 6 5.502 -8.420 -10.614 52 HE3 LYS 6 1HE LYS 6 5.411 -10.045 -9.905 53 HZ1 LYS 6 3HZ LYS 6 3.298 -9.141 -11.741 54 HZ2 LYS 6 1HZ LYS 6 3.830 -10.719 -11.413 55 HZ3 LYS 6 2HZ LYS 6 4.769 -9.693 -12.388 56 H ARG 7 H ARG 7 3.040 -10.756 -4.296 57 HA ARG 7 HA ARG 7 2.923 -12.783 -6.425 58 HB2 ARG 7 2HB ARG 7 3.526 -12.569 -3.588 59 HB3 ARG 7 1HB ARG 7 2.471 -13.945 -3.912 60 HG2 ARG 7 2HG ARG 7 4.016 -14.849 -5.525 61 HG3 ARG 7 1HG ARG 7 5.001 -13.387 -5.479 62 HD2 ARG 7 2HD ARG 7 4.999 -14.064 -2.831 63 HD3 ARG 7 1HD ARG 7 4.943 -15.667 -3.591 64 HE ARG 7 HE ARG 7 6.824 -14.196 -5.065 65 HH11 ARG 7 1HH2 ARG 7 6.367 -14.679 -1.701 66 HH12 ARG 7 2HH2 ARG 7 8.034 -15.019 -1.378 67 HH21 ARG 7 1HH1 ARG 7 8.985 -14.863 -4.709 68 HH22 ARG 7 2HH1 ARG 7 9.517 -15.122 -3.082 69 HA PRO 8 HA PRO 8 -1.396 -13.341 -4.619 70 HB2 PRO 8 2HB PRO 8 -2.221 -11.751 -2.560 71 HB3 PRO 8 1HB PRO 8 -1.300 -13.247 -2.313 72 HG2 PRO 8 2HG PRO 8 -0.423 -10.441 -2.093 73 HG3 PRO 8 1HG PRO 8 0.223 -11.891 -1.316 74 HD2 PRO 8 2HD PRO 8 1.290 -10.539 -3.570 75 HD3 PRO 8 1HD PRO 8 1.822 -12.095 -2.903 76 H GLY 9 H GLY 9 -0.279 -10.949 -6.231 77 HA2 GLY 9 2HA GLY 9 -2.869 -9.849 -6.949 78 HA3 GLY 9 1HA GLY 9 -1.852 -8.676 -6.113 79 H LYS 10 H LYS 10 -1.978 -10.801 -8.967 80 HA LYS 10 HA LYS 10 0.370 -10.186 -10.309 81 HB2 LYS 10 2HB LYS 10 -1.293 -11.640 -11.264 82 HB3 LYS 10 1HB LYS 10 -2.504 -10.359 -11.259 83 HG2 LYS 10 2HG LYS 10 -1.882 -9.881 -13.373 84 HG3 LYS 10 1HG LYS 10 -0.348 -9.310 -12.720 85 HD2 LYS 10 2HD LYS 10 0.741 -11.337 -13.149 86 HD3 LYS 10 1HD LYS 10 -0.768 -12.247 -13.202 87 HE2 LYS 10 2HE LYS 10 -1.319 -10.768 -15.288 88 HE3 LYS 10 1HE LYS 10 0.428 -10.463 -15.319 89 HZ1 LYS 10 3HZ LYS 10 -0.364 -12.509 -16.556 90 HZ2 LYS 10 1HZ LYS 10 -0.706 -13.187 -15.039 91 HZ3 LYS 10 2HZ LYS 10 0.889 -12.753 -15.434 92 H ASP 11 H ASP 11 1.322 -8.249 -10.843 93 HA ASP 11 HA ASP 11 1.544 -5.931 -11.262 94 HB2 ASP 11 2HB ASP 11 -1.117 -6.736 -12.428 95 HB3 ASP 11 1HB ASP 11 -0.602 -5.050 -12.491 96 H LEU 12 H LEU 12 0.615 -6.793 -8.653 97 HA LEU 12 HA LEU 12 -1.540 -5.785 -7.392 98 HB2 LEU 12 2HB LEU 12 1.232 -6.189 -6.806 99 HB3 LEU 12 1HB LEU 12 0.708 -4.711 -5.997 100 HG LEU 12 HG LEU 12 -0.551 -7.454 -5.777 101 HD11 LEU 12 1HD1 LEU 12 1.158 -7.462 -4.223 102 HD12 LEU 12 2HD1 LEU 12 -0.108 -6.696 -3.264 103 HD13 LEU 12 3HD1 LEU 12 1.135 -5.708 -4.035 104 HD21 LEU 12 3HD2 LEU 12 -1.866 -5.917 -3.968 105 HD22 LEU 12 1HD2 LEU 12 -2.470 -6.220 -5.598 106 HD23 LEU 12 2HD2 LEU 12 -1.596 -4.729 -5.243 107 H ASP 13 H ASP 13 -2.341 -3.753 -6.674 108 HA ASP 13 HA ASP 13 -2.307 -1.548 -8.357 109 HB2 ASP 13 2HB ASP 13 -2.459 -1.590 -5.323 110 HB3 ASP 13 1HB ASP 13 -3.087 -0.309 -6.359 111 H ARG 14 H ARG 14 -1.134 0.454 -8.354 112 HA ARG 14 HA ARG 14 1.681 0.228 -8.037 113 HB2 ARG 14 2HB ARG 14 0.006 2.751 -8.058 114 HB3 ARG 14 1HB ARG 14 1.653 2.558 -8.659 115 HG2 ARG 14 2HG ARG 14 -0.923 1.556 -9.850 116 HG3 ARG 14 1HG ARG 14 0.396 2.424 -10.633 117 HD2 ARG 14 2HD ARG 14 1.851 0.367 -10.229 118 HD3 ARG 14 1HD ARG 14 0.366 -0.483 -9.755 119 HE ARG 14 HE ARG 14 1.024 0.460 -12.473 120 HH11 ARG 14 1HH1 ARG 14 -0.368 -2.111 -11.225 121 HH12 ARG 14 2HH1 ARG 14 -1.916 -1.970 -11.988 122 HH21 ARG 14 1HH2 ARG 14 -1.402 1.296 -13.032 123 HH22 ARG 14 2HH2 ARG 14 -2.503 -0.042 -13.011 124 H ILE 15 H ILE 15 -0.791 0.891 -5.723 125 HA ILE 15 HA ILE 15 0.983 2.305 -3.843 126 HB ILE 15 HB ILE 15 -1.699 1.072 -3.236 127 HG12 ILE 15 2HG1 ILE 15 -2.008 2.182 -5.386 128 HG13 ILE 15 1HG1 ILE 15 -2.714 3.190 -4.125 129 HG21 ILE 15 1HG2 ILE 15 0.124 3.016 -2.051 130 HG22 ILE 15 2HG2 ILE 15 -1.273 2.210 -1.330 131 HG23 ILE 15 3HG2 ILE 15 -1.495 3.688 -2.267 132 HD11 ILE 15 3HD1 ILE 15 -1.196 4.854 -4.436 133 HD12 ILE 15 1HD1 ILE 15 -0.930 4.090 -6.002 134 HD13 ILE 15 2HD1 ILE 15 0.139 3.724 -4.649 135 H ASP 16 H ASP 16 -0.681 -0.862 -3.954 136 HA ASP 16 HA ASP 16 0.654 -1.877 -1.590 137 HB2 ASP 16 2HB ASP 16 -0.658 -3.356 -3.898 138 HB3 ASP 16 1HB ASP 16 -0.448 -3.949 -2.250 139 H ARG 17 H ARG 17 1.224 -2.192 -5.098 140 HA ARG 17 HA ARG 17 3.427 -4.042 -4.817 141 HB2 ARG 17 2HB ARG 17 3.155 -4.106 -7.077 142 HB3 ARG 17 1HB ARG 17 1.803 -3.002 -6.835 143 HG2 ARG 17 2HG ARG 17 3.264 -1.072 -7.137 144 HG3 ARG 17 1HG ARG 17 4.678 -2.121 -7.244 145 HD2 ARG 17 2HD ARG 17 3.393 -3.257 -9.224 146 HD3 ARG 17 1HD ARG 17 2.453 -1.751 -9.244 147 HE ARG 17 HE ARG 17 5.022 -0.817 -9.109 148 HH11 ARG 17 1HH2 ARG 17 3.143 -1.123 -11.617 149 HH12 ARG 17 2HH2 ARG 17 4.288 -1.758 -12.751 150 HH21 ARG 17 1HH1 ARG 17 6.654 -2.521 -10.334 151 HH22 ARG 17 2HH1 ARG 17 6.276 -2.552 -12.024 152 H ASN 18 H ASN 18 3.245 -0.535 -5.360 153 HA ASN 18 HA ASN 18 6.099 -0.115 -5.341 154 HB2 ASN 18 2HB ASN 18 4.262 1.402 -6.233 155 HB3 ASN 18 1HB ASN 18 3.879 1.802 -4.558 156 HD21 ASN 18 1HD2 ASN 18 4.553 4.078 -5.298 157 HD22 ASN 18 2HD2 ASN 18 6.206 4.464 -5.254 158 H ILE 19 H ILE 19 3.586 -0.203 -2.853 159 HA ILE 19 HA ILE 19 5.155 0.803 -0.676 160 HB ILE 19 HB ILE 19 2.700 -0.883 -1.067 161 HG12 ILE 19 2HG1 ILE 19 3.181 1.633 0.555 162 HG13 ILE 19 1HG1 ILE 19 2.733 1.649 -1.150 163 HG21 ILE 19 1HG2 ILE 19 3.245 -2.029 0.836 164 HG22 ILE 19 2HG2 ILE 19 2.693 -0.553 1.628 165 HG23 ILE 19 3HG2 ILE 19 4.415 -0.815 1.352 166 HD11 ILE 19 3HD1 ILE 19 0.637 0.575 -0.701 167 HD12 ILE 19 1HD1 ILE 19 0.795 1.871 0.484 168 HD13 ILE 19 2HD1 ILE 19 1.112 0.202 0.955 169 H LEU 20 H LEU 20 4.680 -2.463 -2.033 170 HA LEU 20 HA LEU 20 6.266 -3.835 -0.035 171 HB2 LEU 20 2HB LEU 20 5.431 -4.416 -2.899 172 HB3 LEU 20 1HB LEU 20 6.291 -5.587 -1.899 173 HG LEU 20 HG LEU 20 3.705 -4.273 -1.038 174 HD11 LEU 20 1HD1 LEU 20 2.966 -5.504 -2.876 175 HD12 LEU 20 2HD1 LEU 20 2.865 -6.709 -1.591 176 HD13 LEU 20 3HD1 LEU 20 4.235 -6.715 -2.702 177 HD21 LEU 20 3HD2 LEU 20 5.052 -5.192 0.779 178 HD22 LEU 20 1HD2 LEU 20 5.252 -6.709 -0.098 179 HD23 LEU 20 2HD2 LEU 20 3.662 -6.243 0.506 180 H ASN 21 H ASN 21 6.968 -2.570 -3.313 181 HA ASN 21 HA ASN 21 9.722 -3.317 -3.420 182 HB2 ASN 21 2HB ASN 21 7.886 -1.331 -4.696 183 HB3 ASN 21 1HB ASN 21 9.618 -1.076 -4.912 184 HD21 ASN 21 1HD2 ASN 21 7.066 -2.482 -6.445 185 HD22 ASN 21 2HD2 ASN 21 7.858 -3.758 -7.236 186 H GLU 22 H GLU 22 8.063 -0.492 -2.055 187 HA GLU 22 HA GLU 22 10.457 0.967 -1.360 188 HB2 GLU 22 2HB GLU 22 7.542 1.084 -0.983 189 HB3 GLU 22 1HB GLU 22 8.446 1.744 0.381 190 HG2 GLU 22 2HG GLU 22 8.823 2.535 -2.524 191 HG3 GLU 22 1HG GLU 22 7.976 3.490 -1.306 192 H LEU 23 H LEU 23 8.340 -1.312 0.372 193 HA LEU 23 HA LEU 23 9.677 -1.152 2.909 194 HB2 LEU 23 2HB LEU 23 7.731 -2.853 1.472 195 HB3 LEU 23 1HB LEU 23 8.640 -3.691 2.731 196 HG LEU 23 HG LEU 23 6.576 -2.695 3.647 197 HD11 LEU 23 1HD1 LEU 23 8.952 -2.706 4.825 198 HD12 LEU 23 2HD1 LEU 23 7.580 -1.894 5.582 199 HD13 LEU 23 3HD1 LEU 23 8.781 -0.955 4.694 200 HD21 LEU 23 3HD2 LEU 23 5.885 -0.664 2.965 201 HD22 LEU 23 1HD2 LEU 23 7.317 -0.544 1.942 202 HD23 LEU 23 2HD2 LEU 23 7.359 0.071 3.594 203 H GLN 24 H GLN 24 10.171 -3.137 0.006 204 HA GLN 24 HA GLN 24 12.239 -4.821 1.122 205 HB2 GLN 24 2HB GLN 24 10.689 -4.794 -1.110 206 HB3 GLN 24 1HB GLN 24 12.192 -4.155 -1.778 207 HG2 GLN 24 2HG GLN 24 12.200 -6.617 -0.037 208 HG3 GLN 24 1HG GLN 24 11.866 -6.732 -1.765 209 HE21 GLN 24 1HE2 GLN 24 14.258 -7.816 -0.446 210 HE22 GLN 24 2HE2 GLN 24 15.593 -7.000 -1.102 211 H LYS 25 H LYS 25 12.274 -1.842 -0.865 212 HA LYS 25 HA LYS 25 15.181 -1.638 -0.868 213 HB2 LYS 25 2HB LYS 25 12.845 0.147 -1.564 214 HB3 LYS 25 1HB LYS 25 14.506 0.731 -1.672 215 HG2 LYS 25 2HG LYS 25 15.062 -1.130 -3.198 216 HG3 LYS 25 1HG LYS 25 13.396 -1.704 -3.096 217 HD2 LYS 25 2HD LYS 25 14.228 1.033 -4.103 218 HD3 LYS 25 1HD LYS 25 13.788 -0.330 -5.131 219 HE2 LYS 25 2HE LYS 25 11.537 -0.391 -4.066 220 HE3 LYS 25 1HE LYS 25 11.983 1.028 -3.096 221 HZ1 LYS 25 3HZ LYS 25 12.344 2.298 -5.054 222 HZ2 LYS 25 1HZ LYS 25 10.829 1.557 -5.238 223 HZ3 LYS 25 2HZ LYS 25 12.181 0.937 -6.058 224 H ASP 26 H ASP 26 12.667 -0.762 1.337 225 HA ASP 26 HA ASP 26 14.706 0.398 3.144 226 HB2 ASP 26 2HB ASP 26 13.004 1.945 1.527 227 HB3 ASP 26 1HB ASP 26 12.271 1.992 3.132 228 H GLY 27 H GLY 27 13.798 -1.992 3.759 229 HA2 GLY 27 2HA GLY 27 11.254 -2.359 4.894 230 HA3 GLY 27 1HA GLY 27 12.704 -3.194 5.455 231 H ARG 28 H ARG 28 14.019 -0.606 6.144 232 HA ARG 28 HA ARG 28 13.015 -0.396 8.872 233 HB2 ARG 28 2HB ARG 28 14.919 1.108 9.112 234 HB3 ARG 28 1HB ARG 28 15.411 -0.258 8.111 235 HG2 ARG 28 2HG ARG 28 14.251 2.031 6.634 236 HG3 ARG 28 1HG ARG 28 15.806 2.342 7.405 237 HD2 ARG 28 2HD ARG 28 16.154 -0.176 6.267 238 HD3 ARG 28 1HD ARG 28 15.214 0.712 5.051 239 HE ARG 28 HE ARG 28 17.399 2.269 6.232 240 HH11 ARG 28 1HH1 ARG 28 18.198 -0.407 4.761 241 HH12 ARG 28 2HH1 ARG 28 18.655 0.248 3.224 242 HH21 ARG 28 1HH2 ARG 28 17.212 3.345 3.818 243 HH22 ARG 28 2HH2 ARG 28 18.100 2.374 2.691 244 H ILE 29 H ILE 29 10.865 0.306 7.309 245 HA ILE 29 HA ILE 29 10.641 3.241 7.822 246 HB ILE 29 HB ILE 29 11.184 2.766 5.431 247 HG12 ILE 29 2HG1 ILE 29 8.304 3.647 5.775 248 HG13 ILE 29 1HG1 ILE 29 9.688 4.676 6.145 249 HG21 ILE 29 1HG2 ILE 29 9.838 0.503 5.654 250 HG22 ILE 29 2HG2 ILE 29 9.899 1.347 4.107 251 HG23 ILE 29 3HG2 ILE 29 8.478 1.503 5.142 252 HD11 ILE 29 3HD1 ILE 29 10.386 3.860 3.664 253 HD12 ILE 29 1HD1 ILE 29 9.425 5.309 3.959 254 HD13 ILE 29 2HD1 ILE 29 8.630 3.800 3.511 255 H SER 30 H SER 30 8.451 3.930 8.230 256 HA SER 30 HA SER 30 6.717 1.710 9.178 257 HB2 SER 30 2HB SER 30 7.364 3.472 10.754 258 HB3 SER 30 1HB SER 30 6.749 4.708 9.659 259 HG SER 30 HG SER 30 5.415 3.561 11.532 260 H ASN 31 H ASN 31 4.895 4.479 8.815 261 HA ASN 31 HA ASN 31 3.841 3.572 6.152 262 HB2 ASN 31 2HB ASN 31 1.628 4.195 7.063 263 HB3 ASN 31 1HB ASN 31 2.419 3.021 8.116 264 HD21 ASN 31 1HD2 ASN 31 3.163 3.755 10.216 265 HD22 ASN 31 2HD2 ASN 31 2.735 5.274 10.838 266 H VAL 32 H VAL 32 4.098 6.393 8.357 267 HA VAL 32 HA VAL 32 3.211 8.451 6.719 268 HB VAL 32 HB VAL 32 5.557 8.188 8.613 269 HG11 VAL 32 1HG1 VAL 32 6.306 10.006 7.345 270 HG12 VAL 32 2HG1 VAL 32 5.347 10.801 8.593 271 HG13 VAL 32 3HG1 VAL 32 4.670 10.555 6.983 272 HG21 VAL 32 3HG2 VAL 32 3.771 9.965 9.676 273 HG22 VAL 32 1HG2 VAL 32 3.744 8.231 9.995 274 HG23 VAL 32 2HG2 VAL 32 2.694 8.915 8.754 275 H GLU 33 H GLU 33 6.652 7.428 6.840 276 HA GLU 33 HA GLU 33 7.373 8.753 4.392 277 HB2 GLU 33 2HB GLU 33 8.790 7.809 6.367 278 HB3 GLU 33 1HB GLU 33 8.673 6.267 5.519 279 HG2 GLU 33 2HG GLU 33 10.513 6.985 4.393 280 HG3 GLU 33 1HG GLU 33 9.367 7.965 3.478 281 H LEU 34 H LEU 34 5.861 5.709 5.157 282 HA LEU 34 HA LEU 34 6.309 4.442 2.571 283 HB2 LEU 34 2HB LEU 34 5.542 3.679 5.103 284 HB3 LEU 34 1HB LEU 34 4.013 3.620 4.225 285 HG LEU 34 HG LEU 34 6.582 2.263 3.352 286 HD11 LEU 34 1HD1 LEU 34 4.523 0.395 3.791 287 HD12 LEU 34 2HD1 LEU 34 4.473 1.480 5.180 288 HD13 LEU 34 3HD1 LEU 34 5.965 0.631 4.778 289 HD21 LEU 34 3HD2 LEU 34 3.821 2.515 2.171 290 HD22 LEU 34 1HD2 LEU 34 4.814 1.100 1.821 291 HD23 LEU 34 2HD2 LEU 34 5.384 2.708 1.378 292 H SER 35 H SER 35 4.197 6.838 3.806 293 HA SER 35 HA SER 35 2.021 6.346 1.886 294 HB2 SER 35 2HB SER 35 0.918 7.994 3.144 295 HB3 SER 35 1HB SER 35 1.958 7.209 4.334 296 HG SER 35 HG SER 35 2.128 9.736 3.171 297 H LYS 36 H LYS 36 4.644 8.705 2.386 298 HA LYS 36 HA LYS 36 3.847 10.301 0.051 299 HB2 LYS 36 2HB LYS 36 6.042 10.318 2.122 300 HB3 LYS 36 1HB LYS 36 6.112 11.406 0.735 301 HG2 LYS 36 2HG LYS 36 4.369 12.686 1.481 302 HG3 LYS 36 1HG LYS 36 3.513 11.303 2.163 303 HD2 LYS 36 2HD LYS 36 5.926 11.610 3.641 304 HD3 LYS 36 1HD LYS 36 5.181 13.204 3.517 305 HE2 LYS 36 2HE LYS 36 3.834 10.668 4.524 306 HE3 LYS 36 1HE LYS 36 4.274 12.089 5.493 307 HZ1 LYS 36 3HZ LYS 36 2.297 12.916 4.918 308 HZ2 LYS 36 1HZ LYS 36 2.032 11.712 3.753 309 HZ3 LYS 36 2HZ LYS 36 2.914 13.106 3.348 310 H ARG 37 H ARG 37 6.263 7.822 0.803 311 HA ARG 37 HA ARG 37 7.939 8.200 -1.485 312 HB2 ARG 37 2HB ARG 37 7.289 5.935 0.394 313 HB3 ARG 37 1HB ARG 37 8.424 5.701 -0.936 314 HG2 ARG 37 2HG ARG 37 9.696 7.709 -0.094 315 HG3 ARG 37 1HG ARG 37 8.641 7.710 1.319 316 HD2 ARG 37 2HD ARG 37 10.231 6.314 2.212 317 HD3 ARG 37 1HD ARG 37 9.444 5.072 1.218 318 HE ARG 37 HE ARG 37 11.101 5.591 -0.570 319 HH11 ARG 37 1HH1 ARG 37 12.059 8.241 0.353 320 HH12 ARG 37 2HH1 ARG 37 13.570 7.858 1.108 321 HH21 ARG 37 1HH2 ARG 37 12.884 4.470 1.372 322 HH22 ARG 37 2HH2 ARG 37 14.037 5.723 1.684 323 H VAL 38 H VAL 38 4.784 6.931 -1.168 324 HA VAL 38 HA VAL 38 4.977 5.615 -3.841 325 HB VAL 38 HB VAL 38 2.684 4.681 -2.961 326 HG11 VAL 38 1HG1 VAL 38 4.585 3.244 -3.285 327 HG12 VAL 38 2HG1 VAL 38 3.971 2.929 -1.662 328 HG13 VAL 38 3HG1 VAL 38 5.409 3.925 -1.882 329 HG21 VAL 38 3HG2 VAL 38 2.519 4.606 -0.540 330 HG22 VAL 38 1HG2 VAL 38 2.658 6.293 -1.029 331 HG23 VAL 38 2HG2 VAL 38 4.055 5.450 -0.373 332 H GLY 39 H GLY 39 3.813 8.356 -2.231 333 HA2 GLY 39 2HA GLY 39 2.848 10.244 -3.326 334 HA3 GLY 39 1HA GLY 39 2.403 9.202 -4.676 335 H LEU 40 H LEU 40 1.660 8.777 -1.206 336 HA LEU 40 HA LEU 40 -1.191 9.436 -1.708 337 HB2 LEU 40 2HB LEU 40 -1.734 7.117 -0.673 338 HB3 LEU 40 1HB LEU 40 -1.229 7.160 -2.363 339 HG LEU 40 HG LEU 40 1.077 7.029 -0.653 340 HD11 LEU 40 1HD1 LEU 40 -0.957 5.849 0.661 341 HD12 LEU 40 2HD1 LEU 40 0.690 5.221 0.710 342 HD13 LEU 40 3HD1 LEU 40 -0.489 4.514 -0.392 343 HD21 LEU 40 3HD2 LEU 40 -0.173 5.504 -2.898 344 HD22 LEU 40 1HD2 LEU 40 1.115 4.723 -1.985 345 HD23 LEU 40 2HD2 LEU 40 1.420 6.253 -2.806 346 H SER 41 H SER 41 -2.453 9.303 0.365 347 HA SER 41 HA SER 41 -0.982 10.449 2.591 348 HB2 SER 41 2HB SER 41 -3.753 9.689 1.857 349 HB3 SER 41 1HB SER 41 -3.404 9.688 3.584 350 HG SER 41 HG SER 41 -4.100 11.744 2.463 351 HA PRO 42 HA PRO 42 0.154 6.764 4.506 352 HB2 PRO 42 2HB PRO 42 0.182 7.502 7.137 353 HB3 PRO 42 1HB PRO 42 1.399 8.043 5.965 354 HG2 PRO 42 2HG PRO 42 -0.959 9.495 7.050 355 HG3 PRO 42 1HG PRO 42 0.652 10.104 6.639 356 HD2 PRO 42 2HD PRO 42 -1.576 10.400 5.045 357 HD3 PRO 42 1HD PRO 42 0.099 10.440 4.450 358 H THR 43 H THR 43 -2.608 8.394 6.079 359 HA THR 43 HA THR 43 -3.747 6.426 7.612 360 HB THR 43 HB THR 43 -4.773 8.516 5.742 361 HG1 THR 43 1HG THR 43 -5.519 7.976 8.401 362 HG21 THR 43 3HG2 THR 43 -7.125 7.727 6.781 363 HG22 THR 43 1HG2 THR 43 -6.342 6.152 6.652 364 HG23 THR 43 2HG2 THR 43 -6.552 7.153 5.215 365 HA PRO 44 HA PRO 44 -5.500 4.078 3.863 366 HB2 PRO 44 2HB PRO 44 -4.921 4.975 1.341 367 HB3 PRO 44 1HB PRO 44 -6.320 5.553 2.269 368 HG2 PRO 44 2HG PRO 44 -3.694 6.861 1.787 369 HG3 PRO 44 1HG PRO 44 -5.307 7.579 1.923 370 HD2 PRO 44 2HD PRO 44 -3.411 7.587 3.934 371 HD3 PRO 44 1HD PRO 44 -5.159 7.766 4.188 372 H CYS 45 H CYS 45 -2.352 5.598 3.028 373 HA CYS 45 HA CYS 45 -1.041 3.645 1.598 374 HB2 CYS 45 2HB CYS 45 -0.045 5.742 2.486 375 HB3 CYS 45 1HB CYS 45 -0.038 5.039 4.102 376 HG CYS 45 HG CYS 45 1.464 3.306 2.089 377 H LEU 46 H LEU 46 -1.634 3.613 5.100 378 HA LEU 46 HA LEU 46 -0.478 1.026 5.594 379 HB2 LEU 46 2HB LEU 46 -2.653 2.633 6.976 380 HB3 LEU 46 1HB LEU 46 -1.812 1.253 7.686 381 HG LEU 46 HG LEU 46 0.126 3.082 6.627 382 HD11 LEU 46 1HD1 LEU 46 -0.560 5.132 7.266 383 HD12 LEU 46 2HD1 LEU 46 -1.062 4.535 8.849 384 HD13 LEU 46 3HD1 LEU 46 -2.169 4.441 7.479 385 HD21 LEU 46 3HD2 LEU 46 0.649 3.170 9.180 386 HD22 LEU 46 1HD2 LEU 46 0.796 1.625 8.342 387 HD23 LEU 46 2HD2 LEU 46 -0.632 1.967 9.319 388 H GLU 47 H GLU 47 -3.823 2.152 5.028 389 HA GLU 47 HA GLU 47 -5.203 -0.278 5.107 390 HB2 GLU 47 2HB GLU 47 -5.391 2.278 3.569 391 HB3 GLU 47 1HB GLU 47 -6.434 0.948 3.075 392 HG2 GLU 47 2HG GLU 47 -7.728 2.093 4.680 393 HG3 GLU 47 1HG GLU 47 -7.025 0.758 5.593 394 H ARG 48 H ARG 48 -3.187 1.090 2.527 395 HA ARG 48 HA ARG 48 -3.616 -1.049 0.621 396 HB2 ARG 48 2HB ARG 48 -1.238 0.821 0.881 397 HB3 ARG 48 1HB ARG 48 -1.873 0.099 -0.599 398 HG2 ARG 48 2HG ARG 48 -3.862 1.670 0.910 399 HG3 ARG 48 1HG ARG 48 -2.506 2.622 0.310 400 HD2 ARG 48 2HD ARG 48 -2.888 1.532 -1.961 401 HD3 ARG 48 1HD ARG 48 -4.407 0.898 -1.302 402 HE ARG 48 HE ARG 48 -3.841 3.819 -1.098 403 HH11 ARG 48 1HH2 ARG 48 -5.291 1.390 -2.986 404 HH12 ARG 48 2HH2 ARG 48 -6.776 2.248 -3.228 405 HH21 ARG 48 1HH1 ARG 48 -5.934 4.840 -1.086 406 HH22 ARG 48 2HH1 ARG 48 -7.140 4.200 -2.151 407 H VAL 49 H VAL 49 -1.018 -0.266 2.940 408 HA VAL 49 HA VAL 49 0.599 -2.578 2.433 409 HB VAL 49 HB VAL 49 0.632 -0.238 4.000 410 HG11 VAL 49 1HG1 VAL 49 1.251 -1.099 6.254 411 HG12 VAL 49 2HG1 VAL 49 0.777 -2.721 5.750 412 HG13 VAL 49 3HG1 VAL 49 -0.432 -1.442 5.858 413 HG21 VAL 49 3HG2 VAL 49 2.418 -2.038 2.873 414 HG22 VAL 49 1HG2 VAL 49 2.772 -2.159 4.595 415 HG23 VAL 49 2HG2 VAL 49 2.863 -0.595 3.785 416 H ARG 50 H ARG 50 -1.924 -1.921 4.873 417 HA ARG 50 HA ARG 50 -1.845 -4.248 6.380 418 HB2 ARG 50 2HB ARG 50 -4.306 -2.849 5.284 419 HB3 ARG 50 1HB ARG 50 -4.226 -3.805 6.764 420 HG2 ARG 50 2HG ARG 50 -2.191 -1.704 6.676 421 HG3 ARG 50 1HG ARG 50 -3.833 -1.064 6.594 422 HD2 ARG 50 2HD ARG 50 -2.734 -2.943 8.716 423 HD3 ARG 50 1HD ARG 50 -3.229 -1.253 8.942 424 HE ARG 50 HE ARG 50 -5.041 -3.545 8.603 425 HH11 ARG 50 1HH2 ARG 50 -4.591 -0.178 8.049 426 HH12 ARG 50 2HH2 ARG 50 -6.250 0.229 8.334 427 HH21 ARG 50 1HH1 ARG 50 -7.187 -3.015 9.120 428 HH22 ARG 50 2HH1 ARG 50 -7.718 -1.375 8.940 429 H ARG 51 H ARG 51 -3.592 -3.758 3.315 430 HA ARG 51 HA ARG 51 -4.656 -6.340 2.959 431 HB2 ARG 51 2HB ARG 51 -5.169 -4.529 1.447 432 HB3 ARG 51 1HB ARG 51 -3.466 -4.314 1.039 433 HG2 ARG 51 2HG ARG 51 -4.665 -7.007 0.560 434 HG3 ARG 51 1HG ARG 51 -5.120 -5.706 -0.541 435 HD2 ARG 51 2HD ARG 51 -2.230 -5.773 0.022 436 HD3 ARG 51 1HD ARG 51 -2.828 -7.233 -0.792 437 HE ARG 51 HE ARG 51 -2.593 -4.683 -2.043 438 HH11 ARG 51 1HH2 ARG 51 -3.145 -7.289 -3.464 439 HH12 ARG 51 2HH2 ARG 51 -4.721 -7.003 -4.121 440 HH21 ARG 51 1HH1 ARG 51 -5.372 -4.278 -2.079 441 HH22 ARG 51 2HH1 ARG 51 -5.983 -5.300 -3.339 442 H LEU 52 H LEU 52 -1.412 -5.093 2.171 443 HA LEU 52 HA LEU 52 -0.378 -7.553 1.092 444 HB2 LEU 52 2HB LEU 52 0.933 -5.171 2.437 445 HB3 LEU 52 1HB LEU 52 1.797 -6.387 1.496 446 HG LEU 52 HG LEU 52 -0.488 -4.720 0.406 447 HD11 LEU 52 1HD1 LEU 52 2.496 -4.311 0.411 448 HD12 LEU 52 2HD1 LEU 52 1.219 -3.138 0.734 449 HD13 LEU 52 3HD1 LEU 52 1.512 -3.692 -0.915 450 HD21 LEU 52 3HD2 LEU 52 1.293 -5.709 -1.581 451 HD22 LEU 52 1HD2 LEU 52 -0.386 -6.177 -1.310 452 HD23 LEU 52 2HD2 LEU 52 0.915 -7.058 -0.510 453 H GLU 53 H GLU 53 -1.086 -6.528 4.304 454 HA GLU 53 HA GLU 53 0.868 -8.204 5.683 455 HB2 GLU 53 2HB GLU 53 -1.009 -6.137 6.233 456 HB3 GLU 53 1HB GLU 53 -1.454 -7.509 7.246 457 HG2 GLU 53 2HG GLU 53 1.255 -7.518 7.545 458 HG3 GLU 53 1HG GLU 53 0.950 -5.792 7.347 459 H ARG 54 H ARG 54 -2.716 -8.363 5.565 460 HA ARG 54 HA ARG 54 -3.088 -10.885 6.703 461 HB2 ARG 54 2HB ARG 54 -5.149 -10.880 5.151 462 HB3 ARG 54 1HB ARG 54 -4.947 -9.478 6.202 463 HG2 ARG 54 2HG ARG 54 -4.242 -8.099 4.448 464 HG3 ARG 54 1HG ARG 54 -3.749 -9.463 3.445 465 HD2 ARG 54 2HD ARG 54 -6.642 -8.928 4.190 466 HD3 ARG 54 1HD ARG 54 -5.898 -8.352 2.685 467 HE ARG 54 HE ARG 54 -5.263 -11.103 2.945 468 HH11 ARG 54 1HH1 ARG 54 -8.172 -9.294 3.021 469 HH12 ARG 54 2HH1 ARG 54 -9.022 -10.345 1.938 470 HH21 ARG 54 1HH2 ARG 54 -6.275 -12.371 1.325 471 HH22 ARG 54 2HH2 ARG 54 -7.947 -12.086 0.976 472 H GLN 55 H GLN 55 -1.986 -10.118 3.436 473 HA GLN 55 HA GLN 55 -2.282 -12.873 2.469 474 HB2 GLN 55 2HB GLN 55 -1.169 -11.891 0.468 475 HB3 GLN 55 1HB GLN 55 -2.528 -10.907 1.012 476 HG2 GLN 55 2HG GLN 55 -1.170 -9.218 1.805 477 HG3 GLN 55 1HG GLN 55 0.171 -10.312 2.139 478 HE21 GLN 55 1HE2 GLN 55 -1.373 -8.368 -0.371 479 HE22 GLN 55 2HE2 GLN 55 -0.153 -8.571 -1.534 480 H GLY 56 H GLY 56 -0.319 -11.806 4.767 481 HA2 GLY 56 2HA GLY 56 1.744 -12.542 5.605 482 HA3 GLY 56 1HA GLY 56 1.637 -13.866 4.444 483 H PHE 57 H PHE 57 1.970 -10.314 4.096 484 HA PHE 57 HA PHE 57 4.446 -10.817 2.483 485 HB2 PHE 57 2HB PHE 57 1.890 -9.881 1.654 486 HB3 PHE 57 1HB PHE 57 2.989 -8.506 1.583 487 HD1 PHE 57 2HD PHE 57 3.330 -12.191 0.929 488 HD2 PHE 57 1HD PHE 57 3.864 -8.194 -0.548 489 HE1 PHE 57 2HE PHE 57 4.321 -13.095 -1.156 490 HE2 PHE 57 1HE PHE 57 4.855 -9.097 -2.634 491 HZ PHE 57 HZ PHE 57 5.083 -11.547 -2.938 492 H ILE 58 H ILE 58 3.383 -9.550 5.267 493 HA ILE 58 HA ILE 58 5.427 -7.375 5.231 494 HB ILE 58 HB ILE 58 2.752 -7.028 6.566 495 HG12 ILE 58 2HG1 ILE 58 2.408 -7.628 4.133 496 HG13 ILE 58 1HG1 ILE 58 1.850 -6.013 4.562 497 HG21 ILE 58 1HG2 ILE 58 5.053 -5.538 6.551 498 HG22 ILE 58 2HG2 ILE 58 3.445 -4.886 6.860 499 HG23 ILE 58 3HG2 ILE 58 4.139 -4.789 5.241 500 HD11 ILE 58 3HD1 ILE 58 3.429 -4.989 3.280 501 HD12 ILE 58 1HD1 ILE 58 3.510 -6.546 2.456 502 HD13 ILE 58 2HD1 ILE 58 4.678 -6.155 3.719 503 H GLN 59 H GLN 59 5.967 -9.828 6.340 504 HA GLN 59 HA GLN 59 5.241 -9.866 9.186 505 HB2 GLN 59 2HB GLN 59 6.704 -11.877 9.154 506 HB3 GLN 59 1HB GLN 59 5.528 -11.915 7.839 507 HG2 GLN 59 2HG GLN 59 7.766 -10.506 6.842 508 HG3 GLN 59 1HG GLN 59 8.413 -11.912 7.686 509 HE21 GLN 59 1HE2 GLN 59 8.174 -13.949 6.675 510 HE22 GLN 59 2HE2 GLN 59 7.302 -14.195 5.241 511 H GLY 60 H GLY 60 7.577 -8.328 7.269 512 HA2 GLY 60 2HA GLY 60 9.105 -7.576 9.708 513 HA3 GLY 60 1HA GLY 60 9.992 -8.132 8.288 514 H TYR 61 H TYR 61 8.360 -6.932 6.300 515 HA TYR 61 HA TYR 61 9.465 -4.323 6.093 516 HB2 TYR 61 2HB TYR 61 7.044 -5.649 4.851 517 HB3 TYR 61 1HB TYR 61 7.734 -4.136 4.276 518 HD1 TYR 61 1HD TYR 61 10.646 -4.705 4.716 519 HD2 TYR 61 2HD TYR 61 7.515 -7.127 3.050 520 HE1 TYR 61 1HE TYR 61 12.326 -5.975 3.407 521 HE2 TYR 61 2HE TYR 61 9.194 -8.396 1.738 522 HH TYR 61 HH TYR 61 12.651 -7.884 2.198 523 H THR 62 H THR 62 6.078 -4.167 5.667 524 HA THR 62 HA THR 62 5.923 -2.035 7.667 525 HB THR 62 HB THR 62 3.521 -3.072 6.270 526 HG1 THR 62 1HG THR 62 4.985 -1.584 4.577 527 HG21 THR 62 3HG2 THR 62 3.002 -1.013 7.055 528 HG22 THR 62 1HG2 THR 62 3.870 -0.436 5.631 529 HG23 THR 62 2HG2 THR 62 4.699 -0.540 7.183 530 H ALA 63 H ALA 63 6.007 -5.202 8.117 531 HA ALA 63 HA ALA 63 3.777 -6.264 9.278 532 HB1 ALA 63 1HB ALA 63 6.194 -7.094 9.228 533 HB2 ALA 63 2HB ALA 63 5.299 -7.468 10.701 534 HB3 ALA 63 3HB ALA 63 6.457 -6.138 10.687 535 H LEU 64 H LEU 64 5.624 -3.523 10.488 536 HA LEU 64 HA LEU 64 4.524 -3.357 13.120 537 HB2 LEU 64 2HB LEU 64 5.212 -0.902 12.783 538 HB3 LEU 64 1HB LEU 64 6.478 -2.102 12.532 539 HG LEU 64 HG LEU 64 4.924 -1.579 10.101 540 HD11 LEU 64 1HD1 LEU 64 5.216 0.671 9.847 541 HD12 LEU 64 2HD1 LEU 64 6.760 0.667 10.700 542 HD13 LEU 64 3HD1 LEU 64 5.249 0.677 11.610 543 HD21 LEU 64 3HD2 LEU 64 7.029 -1.777 9.106 544 HD22 LEU 64 1HD2 LEU 64 7.268 -2.715 10.579 545 HD23 LEU 64 2HD2 LEU 64 7.863 -1.058 10.481 546 H LEU 65 H LEU 65 3.768 -0.416 11.758 547 HA LEU 65 HA LEU 65 1.663 0.686 11.717 548 HB2 LEU 65 2HB LEU 65 0.804 0.250 9.613 549 HB3 LEU 65 1HB LEU 65 2.288 -0.688 9.478 550 HG LEU 65 HG LEU 65 0.593 -2.497 10.674 551 HD11 LEU 65 1HD1 LEU 65 -1.579 -2.246 9.997 552 HD12 LEU 65 2HD1 LEU 65 -1.123 -1.465 8.483 553 HD13 LEU 65 3HD1 LEU 65 -1.144 -0.537 9.982 554 HD21 LEU 65 3HD2 LEU 65 1.678 -3.461 8.924 555 HD22 LEU 65 1HD2 LEU 65 1.662 -1.973 7.978 556 HD23 LEU 65 2HD2 LEU 65 0.242 -3.018 8.002 557 H ASN 66 H ASN 66 1.911 -1.517 13.769 558 HA ASN 66 HA ASN 66 -1.018 -2.071 14.069 559 HB2 ASN 66 2HB ASN 66 0.773 -3.927 13.284 560 HB3 ASN 66 1HB ASN 66 1.004 -4.048 15.029 561 HD21 ASN 66 1HD2 ASN 66 -0.271 -5.722 15.828 562 HD22 ASN 66 2HD2 ASN 66 -1.856 -6.065 15.328 Start of MODEL 7 1 H1 MET 1 1HT MET 1 12.161 -18.024 -4.671 2 H2 MET 1 2HT MET 1 13.674 -18.153 -3.911 3 H3 MET 1 3HT MET 1 13.440 -18.807 -5.462 4 HA MET 1 HA MET 1 14.464 -16.874 -6.071 5 HB2 MET 1 2HB MET 1 11.587 -16.973 -6.119 6 HB3 MET 1 1HB MET 1 12.097 -15.294 -5.945 7 HG2 MET 1 2HG MET 1 12.024 -15.725 -8.300 8 HG3 MET 1 1HG MET 1 13.730 -15.724 -7.855 9 HE1 MET 1 2HE MET 1 12.920 -18.336 -10.725 10 HE2 MET 1 3HE MET 1 12.854 -16.613 -10.361 11 HE3 MET 1 1HE MET 1 11.411 -17.615 -10.168 12 H VAL 2 H VAL 2 15.785 -16.353 -4.154 13 HA VAL 2 HA VAL 2 14.701 -14.684 -2.022 14 HB VAL 2 HB VAL 2 17.436 -15.606 -2.923 15 HG11 VAL 2 1HG1 VAL 2 18.035 -13.576 -1.929 16 HG12 VAL 2 2HG1 VAL 2 18.059 -14.670 -0.547 17 HG13 VAL 2 3HG1 VAL 2 16.675 -13.611 -0.809 18 HG21 VAL 2 3HG2 VAL 2 17.183 -16.613 -0.500 19 HG22 VAL 2 1HG2 VAL 2 16.359 -17.382 -1.858 20 HG23 VAL 2 2HG2 VAL 2 15.466 -16.319 -0.770 21 H ASP 3 H ASP 3 15.396 -12.449 -1.633 22 HA ASP 3 HA ASP 3 15.676 -10.211 -2.341 23 HB2 ASP 3 2HB ASP 3 17.589 -11.820 -4.049 24 HB3 ASP 3 1HB ASP 3 17.552 -10.057 -4.096 25 H SER 4 H SER 4 13.333 -11.120 -3.334 26 HA SER 4 HA SER 4 13.311 -10.047 -6.124 27 HB2 SER 4 2HB SER 4 13.170 -12.308 -6.612 28 HB3 SER 4 1HB SER 4 12.455 -12.704 -5.051 29 HG SER 4 HG SER 4 11.247 -11.632 -7.362 30 H LYS 5 H LYS 5 11.479 -8.793 -6.568 31 HA LYS 5 HA LYS 5 9.612 -8.345 -4.273 32 HB2 LYS 5 2HB LYS 5 10.410 -6.666 -6.676 33 HB3 LYS 5 1HB LYS 5 9.262 -6.152 -5.437 34 HG2 LYS 5 2HG LYS 5 11.985 -7.109 -4.606 35 HG3 LYS 5 1HG LYS 5 11.799 -5.470 -5.231 36 HD2 LYS 5 2HD LYS 5 11.412 -5.095 -2.976 37 HD3 LYS 5 1HD LYS 5 9.767 -5.409 -3.528 38 HE2 LYS 5 2HE LYS 5 10.910 -7.948 -2.977 39 HE3 LYS 5 1HE LYS 5 11.310 -6.898 -1.604 40 HZ1 LYS 5 3HZ LYS 5 9.077 -7.907 -1.414 41 HZ2 LYS 5 1HZ LYS 5 8.614 -7.111 -2.840 42 HZ3 LYS 5 2HZ LYS 5 9.026 -6.209 -1.460 43 H LYS 6 H LYS 6 8.487 -10.392 -5.126 44 HA LYS 6 HA LYS 6 6.864 -9.873 -7.571 45 HB2 LYS 6 2HB LYS 6 8.157 -12.133 -6.320 46 HB3 LYS 6 1HB LYS 6 6.440 -12.469 -6.540 47 HG2 LYS 6 2HG LYS 6 7.005 -11.330 -8.936 48 HG3 LYS 6 1HG LYS 6 8.566 -12.067 -8.572 49 HD2 LYS 6 2HD LYS 6 6.883 -14.097 -7.883 50 HD3 LYS 6 1HD LYS 6 5.973 -13.350 -9.198 51 HE2 LYS 6 2HE LYS 6 7.342 -14.829 -10.393 52 HE3 LYS 6 1HE LYS 6 8.354 -13.371 -10.400 53 HZ1 LYS 6 3HZ LYS 6 9.494 -14.127 -8.458 54 HZ2 LYS 6 1HZ LYS 6 9.525 -15.392 -9.587 55 HZ3 LYS 6 2HZ LYS 6 8.445 -15.451 -8.278 56 H ARG 7 H ARG 7 6.358 -11.378 -4.374 57 HA ARG 7 HA ARG 7 4.370 -11.467 -3.071 58 HB2 ARG 7 2HB ARG 7 5.331 -8.852 -3.584 59 HB3 ARG 7 1HB ARG 7 3.576 -8.752 -3.709 60 HG2 ARG 7 2HG ARG 7 3.804 -8.478 -1.423 61 HG3 ARG 7 1HG ARG 7 3.709 -10.238 -1.491 62 HD2 ARG 7 2HD ARG 7 6.416 -9.006 -1.821 63 HD3 ARG 7 1HD ARG 7 5.707 -9.021 -0.193 64 HE ARG 7 HE ARG 7 5.233 -11.579 -1.232 65 HH11 ARG 7 1HH2 ARG 7 8.016 -10.635 -2.392 66 HH12 ARG 7 2HH2 ARG 7 9.067 -11.461 -1.292 67 HH21 ARG 7 1HH1 ARG 7 6.552 -12.186 0.983 68 HH22 ARG 7 2HH1 ARG 7 8.238 -12.339 0.620 69 HA PRO 8 HA PRO 8 0.731 -11.801 -5.537 70 HB2 PRO 8 2HB PRO 8 -1.218 -10.165 -4.514 71 HB3 PRO 8 1HB PRO 8 -0.698 -11.667 -3.727 72 HG2 PRO 8 2HG PRO 8 0.001 -8.850 -3.085 73 HG3 PRO 8 1HG PRO 8 -0.255 -10.226 -2.002 74 HD2 PRO 8 2HD PRO 8 2.211 -9.257 -2.708 75 HD3 PRO 8 1HD PRO 8 1.916 -10.922 -2.175 76 H GLY 9 H GLY 9 2.458 -10.242 -6.876 77 HA2 GLY 9 2HA GLY 9 1.656 -7.599 -7.555 78 HA3 GLY 9 1HA GLY 9 2.631 -8.650 -8.586 79 H LYS 10 H LYS 10 1.643 -8.517 -10.572 80 HA LYS 10 HA LYS 10 -0.114 -8.515 -12.172 81 HB2 LYS 10 2HB LYS 10 0.258 -10.883 -11.568 82 HB3 LYS 10 1HB LYS 10 -0.906 -10.729 -10.252 83 HG2 LYS 10 2HG LYS 10 -2.527 -9.903 -12.143 84 HG3 LYS 10 1HG LYS 10 -1.394 -10.724 -13.218 85 HD2 LYS 10 2HD LYS 10 -2.030 -12.364 -10.899 86 HD3 LYS 10 1HD LYS 10 -3.485 -11.916 -11.789 87 HE2 LYS 10 2HE LYS 10 -2.565 -12.805 -13.861 88 HE3 LYS 10 1HE LYS 10 -1.004 -13.112 -13.075 89 HZ1 LYS 10 3HZ LYS 10 -2.957 -14.923 -13.189 90 HZ2 LYS 10 1HZ LYS 10 -3.348 -14.169 -11.720 91 HZ3 LYS 10 2HZ LYS 10 -1.814 -14.866 -11.935 92 H ASP 11 H ASP 11 -2.517 -9.814 -10.145 93 HA ASP 11 HA ASP 11 -4.193 -7.458 -10.383 94 HB2 ASP 11 2HB ASP 11 -5.761 -8.882 -9.094 95 HB3 ASP 11 1HB ASP 11 -5.008 -9.798 -10.399 96 H LEU 12 H LEU 12 -2.674 -5.929 -9.257 97 HA LEU 12 HA LEU 12 -3.270 -5.851 -6.352 98 HB2 LEU 12 2HB LEU 12 -1.176 -7.189 -6.763 99 HB3 LEU 12 1HB LEU 12 -0.461 -5.754 -7.496 100 HG LEU 12 HG LEU 12 -0.546 -4.541 -5.445 101 HD11 LEU 12 1HD1 LEU 12 -2.514 -4.880 -4.329 102 HD12 LEU 12 2HD1 LEU 12 -1.561 -6.065 -3.437 103 HD13 LEU 12 3HD1 LEU 12 -2.587 -6.585 -4.774 104 HD21 LEU 12 3HD2 LEU 12 0.116 -7.217 -4.304 105 HD22 LEU 12 1HD2 LEU 12 1.041 -5.717 -4.256 106 HD23 LEU 12 2HD2 LEU 12 1.026 -6.698 -5.722 107 H ASP 13 H ASP 13 -3.404 -3.722 -5.622 108 HA ASP 13 HA ASP 13 -3.559 -1.571 -7.508 109 HB2 ASP 13 2HB ASP 13 -4.258 -2.103 -4.875 110 HB3 ASP 13 1HB ASP 13 -3.025 -0.852 -4.712 111 H ARG 14 H ARG 14 -2.005 -0.159 -8.219 112 HA ARG 14 HA ARG 14 0.728 -0.676 -8.111 113 HB2 ARG 14 2HB ARG 14 -0.683 2.010 -8.260 114 HB3 ARG 14 1HB ARG 14 0.944 1.670 -8.853 115 HG2 ARG 14 2HG ARG 14 -1.678 0.573 -9.893 116 HG3 ARG 14 1HG ARG 14 -0.477 1.524 -10.768 117 HD2 ARG 14 2HD ARG 14 1.101 -0.536 -10.060 118 HD3 ARG 14 1HD ARG 14 -0.459 -1.384 -10.098 119 HE ARG 14 HE ARG 14 0.760 0.067 -12.403 120 HH11 ARG 14 1HH1 ARG 14 0.273 -2.863 -12.547 121 HH12 ARG 14 2HH1 ARG 14 -1.242 -2.952 -13.384 122 HH21 ARG 14 1HH2 ARG 14 -2.049 0.372 -12.823 123 HH22 ARG 14 2HH2 ARG 14 -2.554 -1.121 -13.540 124 H ILE 15 H ILE 15 -1.276 0.713 -5.639 125 HA ILE 15 HA ILE 15 0.825 2.070 -4.162 126 HB ILE 15 HB ILE 15 -1.822 0.994 -3.167 127 HG12 ILE 15 2HG1 ILE 15 -2.383 2.138 -5.187 128 HG13 ILE 15 1HG1 ILE 15 -2.656 3.311 -3.899 129 HG21 ILE 15 1HG2 ILE 15 -1.459 3.481 -2.103 130 HG22 ILE 15 2HG2 ILE 15 0.213 2.932 -2.239 131 HG23 ILE 15 3HG2 ILE 15 -0.952 1.991 -1.308 132 HD11 ILE 15 3HD1 ILE 15 -0.402 3.186 -5.889 133 HD12 ILE 15 1HD1 ILE 15 -0.170 3.997 -4.340 134 HD13 ILE 15 2HD1 ILE 15 -1.420 4.559 -5.451 135 H ASP 16 H ASP 16 -0.348 -1.224 -4.324 136 HA ASP 16 HA ASP 16 0.891 -2.016 -1.775 137 HB2 ASP 16 2HB ASP 16 -0.580 -3.346 -4.048 138 HB3 ASP 16 1HB ASP 16 0.204 -4.319 -2.803 139 H ARG 17 H ARG 17 1.419 -2.945 -5.211 140 HA ARG 17 HA ARG 17 3.834 -4.357 -4.819 141 HB2 ARG 17 2HB ARG 17 4.156 -3.871 -7.246 142 HB3 ARG 17 1HB ARG 17 2.506 -4.377 -6.881 143 HG2 ARG 17 2HG ARG 17 1.841 -1.974 -6.755 144 HG3 ARG 17 1HG ARG 17 3.476 -1.529 -7.248 145 HD2 ARG 17 2HD ARG 17 2.616 -3.485 -9.105 146 HD3 ARG 17 1HD ARG 17 1.270 -2.344 -8.918 147 HE ARG 17 HE ARG 17 3.424 -0.662 -9.059 148 HH11 ARG 17 1HH2 ARG 17 1.576 -2.493 -11.178 149 HH12 ARG 17 2HH2 ARG 17 2.624 -2.296 -12.542 150 HH21 ARG 17 1HH1 ARG 17 5.145 -0.766 -10.721 151 HH22 ARG 17 2HH1 ARG 17 4.643 -1.318 -12.283 152 H ASN 18 H ASN 18 3.324 -0.918 -5.504 153 HA ASN 18 HA ASN 18 6.102 -0.184 -5.565 154 HB2 ASN 18 2HB ASN 18 3.474 1.225 -5.053 155 HB3 ASN 18 1HB ASN 18 5.002 2.102 -4.969 156 HD21 ASN 18 1HD2 ASN 18 6.422 1.918 -6.998 157 HD22 ASN 18 2HD2 ASN 18 5.642 1.800 -8.501 158 H ILE 19 H ILE 19 3.656 -0.303 -2.987 159 HA ILE 19 HA ILE 19 5.272 0.759 -0.884 160 HB ILE 19 HB ILE 19 2.826 -0.937 -1.208 161 HG12 ILE 19 2HG1 ILE 19 3.434 1.574 0.385 162 HG13 ILE 19 1HG1 ILE 19 2.754 1.546 -1.242 163 HG21 ILE 19 1HG2 ILE 19 2.623 -1.333 1.171 164 HG22 ILE 19 2HG2 ILE 19 4.119 -0.457 1.493 165 HG23 ILE 19 3HG2 ILE 19 4.164 -2.002 0.642 166 HD11 ILE 19 3HD1 ILE 19 0.858 1.741 0.153 167 HD12 ILE 19 1HD1 ILE 19 1.500 0.598 1.332 168 HD13 ILE 19 2HD1 ILE 19 0.920 0.021 -0.230 169 H LEU 20 H LEU 20 4.834 -2.548 -2.150 170 HA LEU 20 HA LEU 20 6.465 -3.866 -0.169 171 HB2 LEU 20 2HB LEU 20 5.480 -4.430 -2.966 172 HB3 LEU 20 1HB LEU 20 6.591 -5.551 -2.177 173 HG LEU 20 HG LEU 20 4.127 -4.601 -0.735 174 HD11 LEU 20 1HD1 LEU 20 4.285 -6.960 -2.637 175 HD12 LEU 20 2HD1 LEU 20 3.391 -5.471 -2.941 176 HD13 LEU 20 3HD1 LEU 20 2.905 -6.538 -1.623 177 HD21 LEU 20 3HD2 LEU 20 6.300 -6.325 -0.172 178 HD22 LEU 20 1HD2 LEU 20 4.895 -7.365 -0.404 179 HD23 LEU 20 2HD2 LEU 20 4.852 -6.079 0.802 180 H ASN 21 H ASN 21 7.148 -2.452 -3.375 181 HA ASN 21 HA ASN 21 9.929 -3.207 -3.471 182 HB2 ASN 21 2HB ASN 21 7.995 -1.467 -4.872 183 HB3 ASN 21 1HB ASN 21 9.663 -0.899 -4.957 184 HD21 ASN 21 1HD2 ASN 21 7.441 -3.334 -6.102 185 HD22 ASN 21 2HD2 ASN 21 8.554 -4.185 -7.062 186 H GLU 22 H GLU 22 8.157 -0.494 -2.071 187 HA GLU 22 HA GLU 22 10.551 1.048 -1.420 188 HB2 GLU 22 2HB GLU 22 8.976 2.648 -0.976 189 HB3 GLU 22 1HB GLU 22 7.840 1.511 -1.697 190 HG2 GLU 22 2HG GLU 22 6.835 1.977 0.369 191 HG3 GLU 22 1HG GLU 22 7.721 0.492 0.711 192 H LEU 23 H LEU 23 8.502 -1.329 0.166 193 HA LEU 23 HA LEU 23 9.603 -0.953 2.828 194 HB2 LEU 23 2HB LEU 23 7.551 -2.406 1.492 195 HB3 LEU 23 1HB LEU 23 8.563 -3.594 2.311 196 HG LEU 23 HG LEU 23 6.954 -2.972 3.936 197 HD11 LEU 23 1HD1 LEU 23 8.313 -2.239 5.660 198 HD12 LEU 23 2HD1 LEU 23 9.043 -0.966 4.682 199 HD13 LEU 23 3HD1 LEU 23 9.546 -2.643 4.466 200 HD21 LEU 23 3HD2 LEU 23 7.138 -0.180 4.231 201 HD22 LEU 23 1HD2 LEU 23 5.779 -1.085 3.565 202 HD23 LEU 23 2HD2 LEU 23 7.031 -0.459 2.492 203 H GLN 24 H GLN 24 10.394 -2.918 0.011 204 HA GLN 24 HA GLN 24 12.357 -4.579 1.401 205 HB2 GLN 24 2HB GLN 24 11.124 -5.352 -0.569 206 HB3 GLN 24 1HB GLN 24 11.751 -4.005 -1.519 207 HG2 GLN 24 2HG GLN 24 13.170 -5.795 -2.108 208 HG3 GLN 24 1HG GLN 24 14.094 -4.923 -0.884 209 HE21 GLN 24 1HE2 GLN 24 12.901 -8.002 -1.715 210 HE22 GLN 24 2HE2 GLN 24 13.088 -8.750 -0.203 211 H LYS 25 H LYS 25 12.402 -1.642 -0.611 212 HA LYS 25 HA LYS 25 15.308 -1.481 -0.730 213 HB2 LYS 25 2HB LYS 25 14.849 0.347 -2.081 214 HB3 LYS 25 1HB LYS 25 13.276 -0.443 -2.152 215 HG2 LYS 25 2HG LYS 25 12.435 0.981 -0.353 216 HG3 LYS 25 1HG LYS 25 14.025 1.720 -0.161 217 HD2 LYS 25 2HD LYS 25 13.906 2.780 -2.288 218 HD3 LYS 25 1HD LYS 25 12.537 1.788 -2.790 219 HE2 LYS 25 2HE LYS 25 11.072 2.890 -1.188 220 HE3 LYS 25 1HE LYS 25 12.442 3.789 -0.504 221 HZ1 LYS 25 3HZ LYS 25 11.915 5.313 -2.053 222 HZ2 LYS 25 1HZ LYS 25 11.016 4.219 -2.987 223 HZ3 LYS 25 2HZ LYS 25 12.708 4.271 -3.135 224 H ASP 26 H ASP 26 12.784 -0.215 1.361 225 HA ASP 26 HA ASP 26 14.932 0.949 3.085 226 HB2 ASP 26 2HB ASP 26 12.519 2.024 1.916 227 HB3 ASP 26 1HB ASP 26 12.407 2.100 3.676 228 H GLY 27 H GLY 27 14.791 -1.490 3.817 229 HA2 GLY 27 2HA GLY 27 12.514 -2.418 5.283 230 HA3 GLY 27 1HA GLY 27 14.156 -3.035 5.467 231 H ARG 28 H ARG 28 12.423 0.000 6.211 232 HA ARG 28 HA ARG 28 12.848 -0.198 9.055 233 HB2 ARG 28 2HB ARG 28 14.643 1.493 9.211 234 HB3 ARG 28 1HB ARG 28 15.179 0.116 8.247 235 HG2 ARG 28 2HG ARG 28 13.841 2.077 6.580 236 HG3 ARG 28 1HG ARG 28 15.178 2.815 7.463 237 HD2 ARG 28 2HD ARG 28 16.018 0.231 6.501 238 HD3 ARG 28 1HD ARG 28 15.356 1.175 5.153 239 HE ARG 28 HE ARG 28 16.872 3.058 5.955 240 HH11 ARG 28 1HH1 ARG 28 17.903 -0.035 5.384 241 HH12 ARG 28 2HH1 ARG 28 19.402 0.092 6.241 242 HH21 ARG 28 1HH2 ARG 28 18.623 3.152 7.676 243 HH22 ARG 28 2HH2 ARG 28 19.809 1.896 7.539 244 H ILE 29 H ILE 29 10.870 0.630 6.941 245 HA ILE 29 HA ILE 29 10.368 3.442 7.838 246 HB ILE 29 HB ILE 29 10.874 3.017 5.415 247 HG12 ILE 29 2HG1 ILE 29 8.006 3.849 5.948 248 HG13 ILE 29 1HG1 ILE 29 9.409 4.898 6.147 249 HG21 ILE 29 1HG2 ILE 29 9.840 1.377 4.253 250 HG22 ILE 29 2HG2 ILE 29 8.251 1.844 4.861 251 HG23 ILE 29 3HG2 ILE 29 9.282 0.776 5.814 252 HD11 ILE 29 3HD1 ILE 29 9.603 3.701 3.569 253 HD12 ILE 29 1HD1 ILE 29 9.328 5.400 3.956 254 HD13 ILE 29 2HD1 ILE 29 7.957 4.311 3.746 255 H SER 30 H SER 30 8.265 3.945 8.562 256 HA SER 30 HA SER 30 6.661 1.614 9.427 257 HB2 SER 30 2HB SER 30 7.234 3.403 11.003 258 HB3 SER 30 1HB SER 30 6.496 4.603 9.946 259 HG SER 30 HG SER 30 5.146 2.389 11.106 260 H ASN 31 H ASN 31 5.171 4.697 8.688 261 HA ASN 31 HA ASN 31 3.889 3.586 6.234 262 HB2 ASN 31 2HB ASN 31 1.676 4.386 7.296 263 HB3 ASN 31 1HB ASN 31 2.387 2.919 7.970 264 HD21 ASN 31 1HD2 ASN 31 1.641 6.293 8.633 265 HD22 ASN 31 2HD2 ASN 31 2.112 6.271 10.264 266 H VAL 32 H VAL 32 4.046 6.412 8.453 267 HA VAL 32 HA VAL 32 3.076 8.440 6.818 268 HB VAL 32 HB VAL 32 5.607 8.446 8.508 269 HG11 VAL 32 1HG1 VAL 32 4.382 10.896 8.787 270 HG12 VAL 32 2HG1 VAL 32 4.095 10.534 7.085 271 HG13 VAL 32 3HG1 VAL 32 5.742 10.570 7.714 272 HG21 VAL 32 3HG2 VAL 32 4.294 8.487 10.368 273 HG22 VAL 32 1HG2 VAL 32 3.074 7.766 9.318 274 HG23 VAL 32 2HG2 VAL 32 3.076 9.507 9.600 275 H GLU 33 H GLU 33 6.541 7.517 6.929 276 HA GLU 33 HA GLU 33 7.256 8.865 4.499 277 HB2 GLU 33 2HB GLU 33 8.599 7.780 6.525 278 HB3 GLU 33 1HB GLU 33 8.610 6.368 5.472 279 HG2 GLU 33 2HG GLU 33 10.593 7.541 4.913 280 HG3 GLU 33 1HG GLU 33 9.451 7.958 3.633 281 H LEU 34 H LEU 34 5.971 5.676 5.246 282 HA LEU 34 HA LEU 34 6.354 4.499 2.634 283 HB2 LEU 34 2HB LEU 34 5.682 3.643 5.126 284 HB3 LEU 34 1HB LEU 34 4.091 3.670 4.364 285 HG LEU 34 HG LEU 34 6.550 2.185 3.403 286 HD11 LEU 34 1HD1 LEU 34 3.989 1.468 4.753 287 HD12 LEU 34 2HD1 LEU 34 5.588 0.745 4.920 288 HD13 LEU 34 3HD1 LEU 34 4.587 0.357 3.521 289 HD21 LEU 34 3HD2 LEU 34 5.517 2.984 1.418 290 HD22 LEU 34 1HD2 LEU 34 3.896 2.759 2.076 291 HD23 LEU 34 2HD2 LEU 34 4.870 1.357 1.629 292 H SER 35 H SER 35 4.209 6.848 3.899 293 HA SER 35 HA SER 35 2.025 6.332 1.999 294 HB2 SER 35 2HB SER 35 0.899 7.917 3.288 295 HB3 SER 35 1HB SER 35 2.025 7.228 4.459 296 HG SER 35 HG SER 35 2.298 9.630 2.970 297 H LYS 36 H LYS 36 4.643 8.703 2.449 298 HA LYS 36 HA LYS 36 3.779 10.326 0.161 299 HB2 LYS 36 2HB LYS 36 5.963 10.314 2.219 300 HB3 LYS 36 1HB LYS 36 6.141 11.342 0.797 301 HG2 LYS 36 2HG LYS 36 4.783 12.858 1.751 302 HG3 LYS 36 1HG LYS 36 3.478 11.672 1.731 303 HD2 LYS 36 2HD LYS 36 3.558 11.637 3.980 304 HD3 LYS 36 1HD LYS 36 5.160 10.910 3.859 305 HE2 LYS 36 2HE LYS 36 6.244 12.902 4.295 306 HE3 LYS 36 1HE LYS 36 4.985 13.873 3.504 307 HZ1 LYS 36 3HZ LYS 36 3.596 13.720 5.317 308 HZ2 LYS 36 1HZ LYS 36 5.107 13.813 6.084 309 HZ3 LYS 36 2HZ LYS 36 4.333 12.310 5.913 310 H ARG 37 H ARG 37 6.245 7.856 0.789 311 HA ARG 37 HA ARG 37 7.816 8.300 -1.564 312 HB2 ARG 37 2HB ARG 37 7.306 5.980 0.296 313 HB3 ARG 37 1HB ARG 37 8.438 5.844 -1.049 314 HG2 ARG 37 2HG ARG 37 9.314 8.159 -0.017 315 HG3 ARG 37 1HG ARG 37 8.650 7.444 1.452 316 HD2 ARG 37 2HD ARG 37 9.969 5.341 0.903 317 HD3 ARG 37 1HD ARG 37 10.787 6.284 -0.357 318 HE ARG 37 HE ARG 37 10.760 7.157 2.509 319 HH11 ARG 37 1HH1 ARG 37 11.831 8.882 0.209 320 HH12 ARG 37 2HH1 ARG 37 13.533 8.591 0.352 321 HH21 ARG 37 1HH2 ARG 37 13.156 5.802 2.378 322 HH22 ARG 37 2HH2 ARG 37 14.282 6.847 1.581 323 H VAL 38 H VAL 38 4.722 6.913 -1.133 324 HA VAL 38 HA VAL 38 4.870 5.619 -3.821 325 HB VAL 38 HB VAL 38 2.624 4.618 -2.849 326 HG11 VAL 38 1HG1 VAL 38 3.894 2.766 -2.680 327 HG12 VAL 38 2HG1 VAL 38 4.775 3.426 -1.303 328 HG13 VAL 38 3HG1 VAL 38 5.299 3.798 -2.945 329 HG21 VAL 38 3HG2 VAL 38 4.130 5.378 -0.332 330 HG22 VAL 38 1HG2 VAL 38 2.617 4.480 -0.418 331 HG23 VAL 38 2HG2 VAL 38 2.663 6.181 -0.882 332 H GLY 39 H GLY 39 3.748 8.360 -2.240 333 HA2 GLY 39 2HA GLY 39 2.635 10.189 -3.261 334 HA3 GLY 39 1HA GLY 39 2.202 9.140 -4.607 335 H LEU 40 H LEU 40 1.548 8.734 -1.111 336 HA LEU 40 HA LEU 40 -1.338 9.241 -1.579 337 HB2 LEU 40 2HB LEU 40 -1.762 6.935 -0.471 338 HB3 LEU 40 1HB LEU 40 -1.281 6.947 -2.168 339 HG LEU 40 HG LEU 40 1.068 6.971 -0.532 340 HD11 LEU 40 1HD1 LEU 40 0.787 5.267 0.976 341 HD12 LEU 40 2HD1 LEU 40 -0.374 4.419 -0.045 342 HD13 LEU 40 3HD1 LEU 40 -0.894 5.800 0.922 343 HD21 LEU 40 3HD2 LEU 40 1.131 4.585 -1.714 344 HD22 LEU 40 1HD2 LEU 40 1.350 6.066 -2.644 345 HD23 LEU 40 2HD2 LEU 40 -0.220 5.262 -2.619 346 H SER 41 H SER 41 -2.558 9.124 0.508 347 HA SER 41 HA SER 41 -1.121 10.395 2.681 348 HB2 SER 41 2HB SER 41 -3.845 9.575 1.943 349 HB3 SER 41 1HB SER 41 -3.524 9.435 3.670 350 HG SER 41 HG SER 41 -2.727 11.737 2.270 351 HA PRO 42 HA PRO 42 0.203 6.825 4.693 352 HB2 PRO 42 2HB PRO 42 0.195 7.629 7.302 353 HB3 PRO 42 1HB PRO 42 1.379 8.203 6.114 354 HG2 PRO 42 2HG PRO 42 -1.044 9.561 7.177 355 HG3 PRO 42 1HG PRO 42 0.530 10.240 6.732 356 HD2 PRO 42 2HD PRO 42 -1.732 10.364 5.156 357 HD3 PRO 42 1HD PRO 42 -0.068 10.500 4.548 358 H THR 43 H THR 43 -2.564 8.333 6.405 359 HA THR 43 HA THR 43 -3.600 6.242 7.859 360 HB THR 43 HB THR 43 -4.733 8.439 6.186 361 HG1 THR 43 1HG THR 43 -4.086 8.127 8.627 362 HG21 THR 43 3HG2 THR 43 -6.249 5.993 7.003 363 HG22 THR 43 1HG2 THR 43 -6.461 7.019 5.584 364 HG23 THR 43 2HG2 THR 43 -7.051 7.557 7.157 365 HA PRO 44 HA PRO 44 -5.422 4.153 3.972 366 HB2 PRO 44 2HB PRO 44 -4.792 5.195 1.518 367 HB3 PRO 44 1HB PRO 44 -6.194 5.739 2.460 368 HG2 PRO 44 2HG PRO 44 -3.535 7.025 2.106 369 HG3 PRO 44 1HG PRO 44 -5.137 7.763 2.248 370 HD2 PRO 44 2HD PRO 44 -3.298 7.630 4.295 371 HD3 PRO 44 1HD PRO 44 -5.049 7.799 4.529 372 H CYS 45 H CYS 45 -2.227 5.661 3.306 373 HA CYS 45 HA CYS 45 -0.932 3.761 1.777 374 HB2 CYS 45 2HB CYS 45 0.095 5.791 2.758 375 HB3 CYS 45 1HB CYS 45 0.047 5.041 4.353 376 HG CYS 45 HG CYS 45 1.954 4.207 2.043 377 H LEU 46 H LEU 46 -1.585 3.562 5.267 378 HA LEU 46 HA LEU 46 -0.479 0.937 5.660 379 HB2 LEU 46 2HB LEU 46 -2.674 2.503 7.061 380 HB3 LEU 46 1HB LEU 46 -1.866 1.081 7.729 381 HG LEU 46 HG LEU 46 0.164 2.852 6.839 382 HD11 LEU 46 1HD1 LEU 46 -0.487 4.946 7.339 383 HD12 LEU 46 2HD1 LEU 46 -1.130 4.433 8.900 384 HD13 LEU 46 3HD1 LEU 46 -2.134 4.327 7.455 385 HD21 LEU 46 3HD2 LEU 46 -0.742 1.512 9.284 386 HD22 LEU 46 1HD2 LEU 46 0.091 3.034 9.602 387 HD23 LEU 46 2HD2 LEU 46 0.897 1.762 8.684 388 H GLU 47 H GLU 47 -3.761 2.150 4.969 389 HA GLU 47 HA GLU 47 -5.190 -0.267 4.925 390 HB2 GLU 47 2HB GLU 47 -5.303 2.373 3.549 391 HB3 GLU 47 1HB GLU 47 -6.289 1.085 2.863 392 HG2 GLU 47 2HG GLU 47 -6.384 1.408 5.821 393 HG3 GLU 47 1HG GLU 47 -7.165 2.665 4.862 394 H ARG 48 H ARG 48 -2.962 1.125 2.558 395 HA ARG 48 HA ARG 48 -3.387 -0.906 0.516 396 HB2 ARG 48 2HB ARG 48 -1.052 0.978 1.000 397 HB3 ARG 48 1HB ARG 48 -1.487 0.224 -0.536 398 HG2 ARG 48 2HG ARG 48 -3.633 1.787 0.795 399 HG3 ARG 48 1HG ARG 48 -2.278 2.720 0.159 400 HD2 ARG 48 2HD ARG 48 -3.124 2.498 -1.929 401 HD3 ARG 48 1HD ARG 48 -2.986 0.735 -1.788 402 HE ARG 48 HE ARG 48 -5.265 1.818 -0.323 403 HH11 ARG 48 1HH2 ARG 48 -5.838 2.817 -3.017 404 HH12 ARG 48 2HH2 ARG 48 -6.603 1.470 -3.790 405 HH21 ARG 48 1HH1 ARG 48 -5.483 -0.839 -1.462 406 HH22 ARG 48 2HH1 ARG 48 -6.402 -0.600 -2.910 407 H VAL 49 H VAL 49 -0.833 -0.255 2.932 408 HA VAL 49 HA VAL 49 0.714 -2.620 2.397 409 HB VAL 49 HB VAL 49 0.569 -0.379 4.288 410 HG11 VAL 49 1HG1 VAL 49 1.393 -3.121 5.285 411 HG12 VAL 49 2HG1 VAL 49 0.233 -2.009 6.014 412 HG13 VAL 49 3HG1 VAL 49 1.952 -1.625 6.037 413 HG21 VAL 49 3HG2 VAL 49 2.695 -2.101 3.019 414 HG22 VAL 49 1HG2 VAL 49 3.111 -0.924 4.265 415 HG23 VAL 49 2HG2 VAL 49 2.362 -0.385 2.764 416 H ARG 50 H ARG 50 -1.522 -1.878 5.112 417 HA ARG 50 HA ARG 50 -1.623 -4.317 6.395 418 HB2 ARG 50 2HB ARG 50 -3.503 -2.097 5.835 419 HB3 ARG 50 1HB ARG 50 -4.241 -3.591 6.414 420 HG2 ARG 50 2HG ARG 50 -3.643 -2.977 8.500 421 HG3 ARG 50 1HG ARG 50 -1.964 -3.237 8.017 422 HD2 ARG 50 2HD ARG 50 -1.855 -1.005 8.671 423 HD3 ARG 50 1HD ARG 50 -2.290 -0.795 6.966 424 HE ARG 50 HE ARG 50 -4.450 -0.116 7.661 425 HH11 ARG 50 1HH1 ARG 50 -2.687 0.084 10.353 426 HH12 ARG 50 2HH1 ARG 50 -3.905 -0.417 11.479 427 HH21 ARG 50 1HH2 ARG 50 -6.076 -1.558 9.030 428 HH22 ARG 50 2HH2 ARG 50 -5.823 -1.344 10.730 429 H ARG 51 H ARG 51 -3.358 -3.420 3.433 430 HA ARG 51 HA ARG 51 -4.819 -5.804 2.998 431 HB2 ARG 51 2HB ARG 51 -5.098 -3.846 1.601 432 HB3 ARG 51 1HB ARG 51 -3.398 -3.874 1.135 433 HG2 ARG 51 2HG ARG 51 -4.969 -6.342 0.586 434 HG3 ARG 51 1HG ARG 51 -5.336 -4.934 -0.411 435 HD2 ARG 51 2HD ARG 51 -2.708 -4.772 -0.649 436 HD3 ARG 51 1HD ARG 51 -2.771 -6.493 -0.218 437 HE ARG 51 HE ARG 51 -3.648 -5.383 -2.732 438 HH11 ARG 51 1HH1 ARG 51 -2.892 -8.245 -2.363 439 HH12 ARG 51 2HH1 ARG 51 -4.415 -9.055 -2.518 440 HH21 ARG 51 1HH2 ARG 51 -6.293 -6.178 -2.048 441 HH22 ARG 51 2HH2 ARG 51 -6.341 -7.885 -2.341 442 H LEU 52 H LEU 52 -1.462 -4.958 2.159 443 HA LEU 52 HA LEU 52 -0.808 -7.498 0.960 444 HB2 LEU 52 2HB LEU 52 0.770 -5.222 2.180 445 HB3 LEU 52 1HB LEU 52 1.539 -6.592 1.379 446 HG LEU 52 HG LEU 52 -0.597 -4.923 0.038 447 HD11 LEU 52 1HD1 LEU 52 2.163 -4.242 0.637 448 HD12 LEU 52 2HD1 LEU 52 0.910 -3.254 -0.113 449 HD13 LEU 52 3HD1 LEU 52 1.896 -4.328 -1.104 450 HD21 LEU 52 3HD2 LEU 52 -0.387 -6.855 -1.224 451 HD22 LEU 52 1HD2 LEU 52 1.287 -7.117 -0.732 452 HD23 LEU 52 2HD2 LEU 52 0.905 -5.892 -1.944 453 H GLU 53 H GLU 53 -1.191 -6.439 4.217 454 HA GLU 53 HA GLU 53 0.624 -8.337 5.473 455 HB2 GLU 53 2HB GLU 53 -1.148 -6.163 6.150 456 HB3 GLU 53 1HB GLU 53 -1.463 -7.526 7.224 457 HG2 GLU 53 2HG GLU 53 1.038 -7.671 7.606 458 HG3 GLU 53 1HG GLU 53 1.185 -6.144 6.733 459 H ARG 54 H ARG 54 -2.960 -8.168 5.328 460 HA ARG 54 HA ARG 54 -3.536 -10.670 6.477 461 HB2 ARG 54 2HB ARG 54 -4.859 -9.002 4.326 462 HB3 ARG 54 1HB ARG 54 -5.625 -10.440 5.003 463 HG2 ARG 54 2HG ARG 54 -4.548 -8.552 7.005 464 HG3 ARG 54 1HG ARG 54 -5.895 -7.930 6.052 465 HD2 ARG 54 2HD ARG 54 -6.996 -10.265 6.581 466 HD3 ARG 54 1HD ARG 54 -5.836 -10.284 7.925 467 HE ARG 54 HE ARG 54 -8.164 -8.604 7.789 468 HH11 ARG 54 1HH1 ARG 54 -6.873 -9.158 10.363 469 HH12 ARG 54 2HH1 ARG 54 -6.109 -7.654 10.757 470 HH21 ARG 54 1HH2 ARG 54 -6.289 -6.411 7.527 471 HH22 ARG 54 2HH2 ARG 54 -5.780 -6.099 9.153 472 H GLN 55 H GLN 55 -2.375 -9.915 3.243 473 HA GLN 55 HA GLN 55 -2.939 -12.612 2.207 474 HB2 GLN 55 2HB GLN 55 -1.701 -10.048 1.229 475 HB3 GLN 55 1HB GLN 55 -1.490 -11.531 0.296 476 HG2 GLN 55 2HG GLN 55 -4.194 -10.518 1.205 477 HG3 GLN 55 1HG GLN 55 -3.500 -10.137 -0.372 478 HE21 GLN 55 1HE2 GLN 55 -5.741 -12.129 0.856 479 HE22 GLN 55 2HE2 GLN 55 -5.500 -13.516 -0.093 480 H GLY 56 H GLY 56 -0.928 -11.882 4.515 481 HA2 GLY 56 2HA GLY 56 1.153 -12.673 5.249 482 HA3 GLY 56 1HA GLY 56 0.885 -14.007 4.129 483 H PHE 57 H PHE 57 1.599 -10.504 3.783 484 HA PHE 57 HA PHE 57 3.940 -11.264 2.083 485 HB2 PHE 57 2HB PHE 57 1.611 -9.440 1.466 486 HB3 PHE 57 1HB PHE 57 3.142 -9.297 0.605 487 HD1 PHE 57 2HD PHE 57 4.090 -11.958 0.205 488 HD2 PHE 57 1HD PHE 57 0.040 -10.532 0.131 489 HE1 PHE 57 2HE PHE 57 3.448 -13.860 -1.250 490 HE2 PHE 57 1HE PHE 57 -0.605 -12.438 -1.320 491 HZ PHE 57 HZ PHE 57 1.099 -14.102 -2.012 492 H ILE 58 H ILE 58 2.993 -9.757 4.801 493 HA ILE 58 HA ILE 58 5.158 -7.697 4.589 494 HB ILE 58 HB ILE 58 2.561 -7.358 6.104 495 HG12 ILE 58 2HG1 ILE 58 2.168 -7.725 3.640 496 HG13 ILE 58 1HG1 ILE 58 1.689 -6.125 4.205 497 HG21 ILE 58 1HG2 ILE 58 4.744 -5.958 6.480 498 HG22 ILE 58 2HG2 ILE 58 3.205 -5.112 6.318 499 HG23 ILE 58 3HG2 ILE 58 4.313 -5.198 4.947 500 HD11 ILE 58 3HD1 ILE 58 4.497 -6.240 3.377 501 HD12 ILE 58 1HD1 ILE 58 3.239 -5.092 2.918 502 HD13 ILE 58 2HD1 ILE 58 3.381 -6.632 2.068 503 H GLN 59 H GLN 59 5.186 -10.439 5.703 504 HA GLN 59 HA GLN 59 5.119 -10.156 8.623 505 HB2 GLN 59 2HB GLN 59 6.008 -12.513 8.453 506 HB3 GLN 59 1HB GLN 59 4.516 -12.259 7.548 507 HG2 GLN 59 2HG GLN 59 5.551 -12.886 5.651 508 HG3 GLN 59 1HG GLN 59 6.715 -11.576 5.849 509 HE21 GLN 59 1HE2 GLN 59 7.739 -13.888 4.757 510 HE22 GLN 59 2HE2 GLN 59 8.680 -14.727 5.894 511 H GLY 60 H GLY 60 7.181 -8.981 6.373 512 HA2 GLY 60 2HA GLY 60 9.456 -9.013 8.280 513 HA3 GLY 60 1HA GLY 60 9.756 -9.536 6.621 514 H TYR 61 H TYR 61 8.139 -7.735 5.220 515 HA TYR 61 HA TYR 61 9.781 -5.442 4.966 516 HB2 TYR 61 2HB TYR 61 6.861 -5.928 4.297 517 HB3 TYR 61 1HB TYR 61 7.818 -4.594 3.655 518 HD1 TYR 61 1HD TYR 61 10.225 -5.401 2.702 519 HD2 TYR 61 2HD TYR 61 6.685 -7.820 2.954 520 HE1 TYR 61 1HE TYR 61 11.120 -6.895 0.936 521 HE2 TYR 61 2HE TYR 61 7.578 -9.312 1.186 522 HH TYR 61 HH TYR 61 9.176 -9.552 -0.380 523 H THR 62 H THR 62 6.689 -4.173 5.298 524 HA THR 62 HA THR 62 7.528 -2.673 7.691 525 HB THR 62 HB THR 62 6.539 -1.642 5.638 526 HG1 THR 62 1HG THR 62 5.821 -0.166 6.919 527 HG21 THR 62 3HG2 THR 62 3.886 -1.898 5.754 528 HG22 THR 62 1HG2 THR 62 4.322 -3.475 6.409 529 HG23 THR 62 2HG2 THR 62 4.877 -3.004 4.804 530 H ALA 63 H ALA 63 6.631 -5.590 7.727 531 HA ALA 63 HA ALA 63 4.191 -6.257 8.691 532 HB1 ALA 63 1HB ALA 63 6.599 -7.380 8.823 533 HB2 ALA 63 2HB ALA 63 5.299 -7.931 9.878 534 HB3 ALA 63 3HB ALA 63 6.523 -6.823 10.495 535 H LEU 64 H LEU 64 6.497 -4.163 10.360 536 HA LEU 64 HA LEU 64 5.204 -3.846 12.857 537 HB2 LEU 64 2HB LEU 64 6.338 -1.519 12.657 538 HB3 LEU 64 1HB LEU 64 7.382 -2.935 12.532 539 HG LEU 64 HG LEU 64 6.221 -2.084 9.955 540 HD11 LEU 64 1HD1 LEU 64 8.061 -0.224 9.878 541 HD12 LEU 64 2HD1 LEU 64 7.903 -0.232 11.634 542 HD13 LEU 64 3HD1 LEU 64 6.508 0.148 10.625 543 HD21 LEU 64 3HD2 LEU 64 7.970 -3.413 9.419 544 HD22 LEU 64 1HD2 LEU 64 8.611 -3.333 11.060 545 HD23 LEU 64 2HD2 LEU 64 9.028 -2.083 9.889 546 H LEU 65 H LEU 65 5.151 -0.796 11.437 547 HA LEU 65 HA LEU 65 3.308 0.704 11.269 548 HB2 LEU 65 2HB LEU 65 2.492 0.379 9.116 549 HB3 LEU 65 1HB LEU 65 3.826 -0.776 9.085 550 HG LEU 65 HG LEU 65 1.746 -2.242 10.202 551 HD11 LEU 65 1HD1 LEU 65 -0.247 -1.490 9.480 552 HD12 LEU 65 2HD1 LEU 65 0.351 -1.360 7.826 553 HD13 LEU 65 3HD1 LEU 65 0.564 -0.018 8.949 554 HD21 LEU 65 3HD2 LEU 65 3.152 -2.054 7.610 555 HD22 LEU 65 1HD2 LEU 65 1.613 -2.912 7.566 556 HD23 LEU 65 2HD2 LEU 65 2.891 -3.454 8.651 557 H ASN 66 H ASN 66 2.949 -1.439 13.368 558 HA ASN 66 HA ASN 66 -0.019 -1.257 13.540 559 HB2 ASN 66 2HB ASN 66 1.289 -3.498 12.598 560 HB3 ASN 66 1HB ASN 66 1.122 -3.864 14.316 561 HD21 ASN 66 1HD2 ASN 66 -1.228 -3.354 15.193 562 HD22 ASN 66 2HD2 ASN 66 -2.507 -3.804 14.173 Start of MODEL 8 1 H1 MET 1 1HT MET 1 16.573 -9.136 -9.512 2 H2 MET 1 2HT MET 1 18.023 -9.862 -10.015 3 H3 MET 1 3HT MET 1 16.598 -10.099 -10.908 4 HA MET 1 HA MET 1 18.013 -7.499 -10.580 5 HB2 MET 1 2HB MET 1 18.533 -9.786 -12.148 6 HB3 MET 1 1HB MET 1 17.774 -8.629 -13.241 7 HG2 MET 1 2HG MET 1 19.394 -6.896 -12.484 8 HG3 MET 1 1HG MET 1 20.186 -8.109 -11.479 9 HE1 MET 1 2HE MET 1 19.629 -7.935 -15.934 10 HE2 MET 1 3HE MET 1 20.526 -6.582 -15.247 11 HE3 MET 1 1HE MET 1 18.918 -6.983 -14.632 12 H VAL 2 H VAL 2 16.746 -5.763 -11.156 13 HA VAL 2 HA VAL 2 14.683 -4.649 -11.598 14 HB VAL 2 HB VAL 2 15.986 -4.948 -13.738 15 HG11 VAL 2 1HG1 VAL 2 14.895 -6.649 -15.334 16 HG12 VAL 2 2HG1 VAL 2 14.197 -7.378 -13.888 17 HG13 VAL 2 3HG1 VAL 2 15.949 -7.298 -14.077 18 HG21 VAL 2 3HG2 VAL 2 13.587 -4.963 -15.099 19 HG22 VAL 2 1HG2 VAL 2 14.292 -3.547 -14.316 20 HG23 VAL 2 2HG2 VAL 2 13.088 -4.515 -13.466 21 H ASP 3 H ASP 3 14.301 -7.157 -10.105 22 HA ASP 3 HA ASP 3 12.106 -8.650 -11.293 23 HB2 ASP 3 2HB ASP 3 13.908 -8.866 -9.159 24 HB3 ASP 3 1HB ASP 3 12.330 -8.720 -8.385 25 H SER 4 H SER 4 10.219 -8.803 -9.262 26 HA SER 4 HA SER 4 9.246 -6.009 -8.838 27 HB2 SER 4 2HB SER 4 6.983 -6.970 -9.645 28 HB3 SER 4 1HB SER 4 8.201 -6.645 -10.876 29 HG SER 4 HG SER 4 8.203 -9.149 -9.642 30 H LYS 5 H LYS 5 7.689 -5.853 -7.096 31 HA LYS 5 HA LYS 5 7.742 -8.205 -5.239 32 HB2 LYS 5 2HB LYS 5 7.688 -5.210 -4.954 33 HB3 LYS 5 1HB LYS 5 7.092 -6.216 -3.633 34 HG2 LYS 5 2HG LYS 5 9.184 -6.803 -3.024 35 HG3 LYS 5 1HG LYS 5 9.625 -7.205 -4.684 36 HD2 LYS 5 2HD LYS 5 9.324 -4.332 -4.321 37 HD3 LYS 5 1HD LYS 5 10.533 -5.000 -3.222 38 HE2 LYS 5 2HE LYS 5 11.995 -5.374 -4.924 39 HE3 LYS 5 1HE LYS 5 10.735 -6.101 -5.941 40 HZ1 LYS 5 3HZ LYS 5 10.170 -4.115 -6.831 41 HZ2 LYS 5 1HZ LYS 5 11.767 -3.702 -6.430 42 HZ3 LYS 5 2HZ LYS 5 10.490 -3.250 -5.405 43 H LYS 6 H LYS 6 5.841 -9.272 -6.023 44 HA LYS 6 HA LYS 6 3.312 -8.169 -5.065 45 HB2 LYS 6 2HB LYS 6 2.344 -8.234 -7.441 46 HB3 LYS 6 1HB LYS 6 3.447 -6.903 -7.091 47 HG2 LYS 6 2HG LYS 6 5.137 -7.775 -8.401 48 HG3 LYS 6 1HG LYS 6 4.619 -9.441 -8.144 49 HD2 LYS 6 2HD LYS 6 2.690 -9.098 -9.616 50 HD3 LYS 6 1HD LYS 6 3.135 -7.405 -9.832 51 HE2 LYS 6 2HE LYS 6 4.981 -7.923 -11.172 52 HE3 LYS 6 1HE LYS 6 5.148 -9.549 -10.482 53 HZ1 LYS 6 3HZ LYS 6 2.862 -9.981 -11.432 54 HZ2 LYS 6 1HZ LYS 6 4.121 -9.860 -12.562 55 HZ3 LYS 6 2HZ LYS 6 3.058 -8.556 -12.334 56 H ARG 7 H ARG 7 3.352 -10.247 -3.951 57 HA ARG 7 HA ARG 7 3.625 -12.777 -5.228 58 HB2 ARG 7 2HB ARG 7 3.769 -12.852 -2.916 59 HB3 ARG 7 1HB ARG 7 2.479 -11.671 -2.699 60 HG2 ARG 7 2HG ARG 7 0.798 -13.261 -2.907 61 HG3 ARG 7 1HG ARG 7 1.794 -14.332 -3.895 62 HD2 ARG 7 2HD ARG 7 3.076 -14.051 -1.347 63 HD3 ARG 7 1HD ARG 7 1.373 -14.463 -1.072 64 HE ARG 7 HE ARG 7 2.256 -16.085 -3.206 65 HH11 ARG 7 1HH2 ARG 7 4.085 -15.485 -0.468 66 HH12 ARG 7 2HH2 ARG 7 4.116 -17.123 0.093 67 HH21 ARG 7 1HH1 ARG 7 1.809 -18.244 -2.241 68 HH22 ARG 7 2HH1 ARG 7 2.827 -18.686 -0.911 69 HA PRO 8 HA PRO 8 -1.143 -12.849 -5.585 70 HB2 PRO 8 2HB PRO 8 -2.486 -10.509 -5.088 71 HB3 PRO 8 1HB PRO 8 -2.146 -11.718 -3.833 72 HG2 PRO 8 2HG PRO 8 -0.734 -9.161 -4.434 73 HG3 PRO 8 1HG PRO 8 -1.115 -9.900 -2.870 74 HD2 PRO 8 2HD PRO 8 1.357 -10.018 -4.016 75 HD3 PRO 8 1HD PRO 8 0.727 -11.265 -2.920 76 H GLY 9 H GLY 9 0.073 -9.551 -6.287 77 HA2 GLY 9 2HA GLY 9 0.262 -8.417 -8.336 78 HA3 GLY 9 1HA GLY 9 0.043 -9.975 -9.138 79 H LYS 10 H LYS 10 -2.417 -10.800 -8.599 80 HA LYS 10 HA LYS 10 -4.139 -8.724 -9.812 81 HB2 LYS 10 2HB LYS 10 -4.052 -11.035 -10.688 82 HB3 LYS 10 1HB LYS 10 -4.572 -11.649 -9.119 83 HG2 LYS 10 2HG LYS 10 -6.714 -11.354 -9.733 84 HG3 LYS 10 1HG LYS 10 -6.416 -9.621 -9.872 85 HD2 LYS 10 2HD LYS 10 -5.640 -11.521 -12.087 86 HD3 LYS 10 1HD LYS 10 -7.273 -10.859 -11.980 87 HE2 LYS 10 2HE LYS 10 -6.285 -8.548 -11.944 88 HE3 LYS 10 1HE LYS 10 -4.690 -9.276 -12.222 89 HZ1 LYS 10 3HZ LYS 10 -5.958 -10.532 -14.093 90 HZ2 LYS 10 1HZ LYS 10 -5.413 -8.950 -14.369 91 HZ3 LYS 10 2HZ LYS 10 -7.045 -9.231 -13.989 92 H ASP 11 H ASP 11 -3.265 -9.468 -6.728 93 HA ASP 11 HA ASP 11 -5.942 -8.676 -5.638 94 HB2 ASP 11 2HB ASP 11 -4.283 -10.999 -5.193 95 HB3 ASP 11 1HB ASP 11 -4.464 -10.098 -3.686 96 H LEU 12 H LEU 12 -4.242 -6.656 -6.264 97 HA LEU 12 HA LEU 12 -3.725 -5.384 -3.742 98 HB2 LEU 12 2HB LEU 12 -1.414 -5.682 -3.514 99 HB3 LEU 12 1HB LEU 12 -1.915 -7.256 -4.132 100 HG LEU 12 HG LEU 12 -0.989 -4.997 -5.910 101 HD11 LEU 12 1HD1 LEU 12 1.021 -6.805 -6.011 102 HD12 LEU 12 2HD1 LEU 12 0.520 -7.007 -4.333 103 HD13 LEU 12 3HD1 LEU 12 1.029 -5.422 -4.916 104 HD21 LEU 12 3HD2 LEU 12 -2.336 -6.647 -7.062 105 HD22 LEU 12 1HD2 LEU 12 -1.439 -7.965 -6.309 106 HD23 LEU 12 2HD2 LEU 12 -0.651 -6.925 -7.495 107 H ASP 13 H ASP 13 -3.829 -3.213 -4.158 108 HA ASP 13 HA ASP 13 -3.978 -2.228 -6.879 109 HB2 ASP 13 2HB ASP 13 -4.459 -1.370 -4.153 110 HB3 ASP 13 1HB ASP 13 -3.637 -0.099 -5.058 111 H ARG 14 H ARG 14 -2.560 -0.489 -7.723 112 HA ARG 14 HA ARG 14 0.154 -1.162 -7.833 113 HB2 ARG 14 2HB ARG 14 -1.398 0.482 -9.177 114 HB3 ARG 14 1HB ARG 14 -0.793 1.686 -8.037 115 HG2 ARG 14 2HG ARG 14 0.852 1.872 -9.636 116 HG3 ARG 14 1HG ARG 14 1.545 0.549 -8.698 117 HD2 ARG 14 2HD ARG 14 1.587 -0.549 -10.710 118 HD3 ARG 14 1HD ARG 14 -0.146 -0.798 -10.416 119 HE ARG 14 HE ARG 14 -0.603 0.861 -12.042 120 HH11 ARG 14 1HH2 ARG 14 2.103 0.149 -13.223 121 HH12 ARG 14 2HH2 ARG 14 2.830 1.713 -13.377 122 HH21 ARG 14 1HH1 ARG 14 0.575 3.266 -11.253 123 HH22 ARG 14 2HH1 ARG 14 1.964 3.477 -12.265 124 H ILE 15 H ILE 15 -1.555 0.612 -5.370 125 HA ILE 15 HA ILE 15 0.717 1.991 -4.229 126 HB ILE 15 HB ILE 15 -1.859 1.103 -2.908 127 HG12 ILE 15 2HG1 ILE 15 -2.536 2.149 -4.947 128 HG13 ILE 15 1HG1 ILE 15 -2.655 3.404 -3.713 129 HG21 ILE 15 1HG2 ILE 15 0.362 2.889 -2.223 130 HG22 ILE 15 2HG2 ILE 15 -0.891 2.208 -1.185 131 HG23 ILE 15 3HG2 ILE 15 -1.214 3.675 -2.110 132 HD11 ILE 15 3HD1 ILE 15 -1.534 4.243 -5.760 133 HD12 ILE 15 1HD1 ILE 15 -0.292 3.005 -5.573 134 HD13 ILE 15 2HD1 ILE 15 -0.453 4.281 -4.366 135 H ASP 16 H ASP 16 -0.683 -1.214 -3.793 136 HA ASP 16 HA ASP 16 0.797 -1.822 -1.361 137 HB2 ASP 16 2HB ASP 16 -0.803 -3.342 -3.426 138 HB3 ASP 16 1HB ASP 16 0.015 -4.186 -2.112 139 H ARG 17 H ARG 17 1.064 -3.205 -4.665 140 HA ARG 17 HA ARG 17 3.486 -4.565 -4.305 141 HB2 ARG 17 2HB ARG 17 3.679 -4.061 -6.857 142 HB3 ARG 17 1HB ARG 17 2.271 -4.955 -6.285 143 HG2 ARG 17 2HG ARG 17 0.899 -3.341 -7.041 144 HG3 ARG 17 1HG ARG 17 1.747 -2.132 -6.079 145 HD2 ARG 17 2HD ARG 17 1.823 -1.591 -8.516 146 HD3 ARG 17 1HD ARG 17 3.447 -1.901 -7.869 147 HE ARG 17 HE ARG 17 3.294 -4.190 -8.806 148 HH11 ARG 17 1HH2 ARG 17 0.348 -2.586 -9.267 149 HH12 ARG 17 2HH2 ARG 17 0.118 -3.133 -10.895 150 HH21 ARG 17 1HH1 ARG 17 3.244 -4.616 -11.120 151 HH22 ARG 17 2HH1 ARG 17 1.757 -4.282 -11.943 152 H ASN 18 H ASN 18 2.997 -1.171 -5.177 153 HA ASN 18 HA ASN 18 5.793 -0.566 -5.565 154 HB2 ASN 18 2HB ASN 18 3.415 0.676 -6.022 155 HB3 ASN 18 1HB ASN 18 3.924 1.517 -4.559 156 HD21 ASN 18 1HD2 ASN 18 4.877 3.452 -5.224 157 HD22 ASN 18 2HD2 ASN 18 6.015 3.593 -6.476 158 H ILE 19 H ILE 19 3.612 -0.542 -2.776 159 HA ILE 19 HA ILE 19 5.387 0.730 -0.920 160 HB ILE 19 HB ILE 19 3.044 -1.164 -0.795 161 HG12 ILE 19 2HG1 ILE 19 3.386 1.573 0.442 162 HG13 ILE 19 1HG1 ILE 19 2.913 1.372 -1.244 163 HG21 ILE 19 1HG2 ILE 19 3.658 -1.872 1.254 164 HG22 ILE 19 2HG2 ILE 19 3.520 -0.204 1.808 165 HG23 ILE 19 3HG2 ILE 19 5.072 -0.819 1.246 166 HD11 ILE 19 3HD1 ILE 19 1.048 -0.151 -0.410 167 HD12 ILE 19 1HD1 ILE 19 0.876 1.556 -0.002 168 HD13 ILE 19 2HD1 ILE 19 1.438 0.411 1.216 169 H LEU 20 H LEU 20 4.891 -2.687 -1.858 170 HA LEU 20 HA LEU 20 6.690 -3.897 -0.020 171 HB2 LEU 20 2HB LEU 20 5.900 -4.499 -2.890 172 HB3 LEU 20 1HB LEU 20 6.862 -5.607 -1.913 173 HG LEU 20 HG LEU 20 4.260 -4.539 -0.848 174 HD11 LEU 20 1HD1 LEU 20 4.677 -6.498 -3.045 175 HD12 LEU 20 2HD1 LEU 20 3.285 -5.472 -2.702 176 HD13 LEU 20 3HD1 LEU 20 3.527 -6.962 -1.792 177 HD21 LEU 20 3HD2 LEU 20 4.461 -6.254 0.685 178 HD22 LEU 20 1HD2 LEU 20 6.170 -6.004 0.332 179 HD23 LEU 20 2HD2 LEU 20 5.290 -7.314 -0.454 180 H ASN 21 H ASN 21 7.262 -2.409 -3.220 181 HA ASN 21 HA ASN 21 10.056 -2.960 -3.426 182 HB2 ASN 21 2HB ASN 21 8.562 -2.081 -5.217 183 HB3 ASN 21 1HB ASN 21 8.436 -0.556 -4.339 184 HD21 ASN 21 1HD2 ASN 21 9.504 -0.502 -6.937 185 HD22 ASN 21 2HD2 ASN 21 11.170 -0.188 -6.861 186 H GLU 22 H GLU 22 8.336 -0.115 -2.113 187 HA GLU 22 HA GLU 22 10.654 1.265 -1.165 188 HB2 GLU 22 2HB GLU 22 7.707 1.200 -0.535 189 HB3 GLU 22 1HB GLU 22 8.789 2.207 0.430 190 HG2 GLU 22 2HG GLU 22 7.692 3.322 -1.610 191 HG3 GLU 22 1HG GLU 22 9.438 3.502 -1.455 192 H LEU 23 H LEU 23 8.564 -1.209 0.300 193 HA LEU 23 HA LEU 23 9.762 -1.143 2.923 194 HB2 LEU 23 2HB LEU 23 7.905 -2.782 1.313 195 HB3 LEU 23 1HB LEU 23 8.784 -3.691 2.543 196 HG LEU 23 HG LEU 23 6.683 -2.807 3.469 197 HD11 LEU 23 1HD1 LEU 23 7.600 -1.922 5.461 198 HD12 LEU 23 2HD1 LEU 23 8.921 -1.129 4.604 199 HD13 LEU 23 3HD1 LEU 23 8.914 -2.883 4.784 200 HD21 LEU 23 3HD2 LEU 23 7.441 -0.006 3.533 201 HD22 LEU 23 1HD2 LEU 23 5.938 -0.738 2.971 202 HD23 LEU 23 2HD2 LEU 23 7.308 -0.579 1.870 203 H GLN 24 H GLN 24 10.472 -2.893 -0.076 204 HA GLN 24 HA GLN 24 12.562 -4.553 1.120 205 HB2 GLN 24 2HB GLN 24 11.349 -5.373 -0.788 206 HB3 GLN 24 1HB GLN 24 11.642 -3.886 -1.690 207 HG2 GLN 24 2HG GLN 24 13.576 -4.713 -2.487 208 HG3 GLN 24 1HG GLN 24 14.163 -4.986 -0.846 209 HE21 GLN 24 1HE2 GLN 24 14.582 -7.149 -0.395 210 HE22 GLN 24 2HE2 GLN 24 13.828 -8.470 -1.148 211 H LYS 25 H LYS 25 12.412 -1.578 -0.840 212 HA LYS 25 HA LYS 25 15.317 -1.289 -0.982 213 HB2 LYS 25 2HB LYS 25 14.736 0.315 -2.509 214 HB3 LYS 25 1HB LYS 25 13.108 -0.338 -2.337 215 HG2 LYS 25 2HG LYS 25 12.636 1.297 -0.547 216 HG3 LYS 25 1HG LYS 25 14.265 1.950 -0.715 217 HD2 LYS 25 2HD LYS 25 13.603 2.241 -3.236 218 HD3 LYS 25 1HD LYS 25 11.950 2.133 -2.626 219 HE2 LYS 25 2HE LYS 25 12.097 4.146 -1.483 220 HE3 LYS 25 1HE LYS 25 13.842 3.981 -1.214 221 HZ1 LYS 25 3HZ LYS 25 12.414 4.810 -3.654 222 HZ2 LYS 25 1HZ LYS 25 13.932 4.066 -3.787 223 HZ3 LYS 25 2HZ LYS 25 13.771 5.518 -2.918 224 H ASP 26 H ASP 26 12.741 -0.174 1.119 225 HA ASP 26 HA ASP 26 14.821 0.946 2.933 226 HB2 ASP 26 2HB ASP 26 12.672 2.320 1.464 227 HB3 ASP 26 1HB ASP 26 12.671 2.672 3.193 228 H GLY 27 H GLY 27 13.943 -1.447 3.601 229 HA2 GLY 27 2HA GLY 27 11.412 -1.743 4.828 230 HA3 GLY 27 1HA GLY 27 12.855 -2.642 5.302 231 H ARG 28 H ARG 28 11.908 -2.370 7.527 232 HA ARG 28 HA ARG 28 11.800 -1.257 9.614 233 HB2 ARG 28 2HB ARG 28 14.176 0.219 8.458 234 HB3 ARG 28 1HB ARG 28 13.911 -0.256 10.136 235 HG2 ARG 28 2HG ARG 28 15.143 -2.093 9.659 236 HG3 ARG 28 1HG ARG 28 13.738 -2.659 8.757 237 HD2 ARG 28 2HD ARG 28 14.645 -2.048 6.695 238 HD3 ARG 28 1HD ARG 28 15.665 -0.783 7.408 239 HE ARG 28 HE ARG 28 16.316 -3.642 7.283 240 HH11 ARG 28 1HH2 ARG 28 17.887 -0.848 7.260 241 HH12 ARG 28 2HH2 ARG 28 18.960 -1.152 8.587 242 HH21 ARG 28 1HH1 ARG 28 17.230 -3.949 9.690 243 HH22 ARG 28 2HH1 ARG 28 18.587 -2.908 9.962 244 H ILE 29 H ILE 29 10.457 0.058 7.194 245 HA ILE 29 HA ILE 29 10.543 2.906 8.108 246 HB ILE 29 HB ILE 29 11.099 2.528 5.762 247 HG12 ILE 29 2HG1 ILE 29 8.231 3.499 5.946 248 HG13 ILE 29 1HG1 ILE 29 9.635 4.480 6.367 249 HG21 ILE 29 1HG2 ILE 29 10.148 0.382 5.339 250 HG22 ILE 29 2HG2 ILE 29 9.268 1.497 4.295 251 HG23 ILE 29 3HG2 ILE 29 8.533 0.927 5.793 252 HD11 ILE 29 3HD1 ILE 29 8.807 4.853 4.020 253 HD12 ILE 29 1HD1 ILE 29 9.236 3.181 3.659 254 HD13 ILE 29 2HD1 ILE 29 10.491 4.334 4.107 255 H SER 30 H SER 30 8.687 3.826 8.938 256 HA SER 30 HA SER 30 6.517 2.110 9.771 257 HB2 SER 30 2HB SER 30 6.750 5.131 9.690 258 HB3 SER 30 1HB SER 30 5.656 4.203 10.714 259 HG SER 30 HG SER 30 7.598 4.850 11.786 260 H ASN 31 H ASN 31 4.594 4.461 9.167 261 HA ASN 31 HA ASN 31 3.867 3.556 6.399 262 HB2 ASN 31 2HB ASN 31 1.568 4.418 7.216 263 HB3 ASN 31 1HB ASN 31 2.182 2.953 7.983 264 HD21 ASN 31 1HD2 ASN 31 2.714 3.049 10.230 265 HD22 ASN 31 2HD2 ASN 31 2.479 4.439 11.176 266 H VAL 32 H VAL 32 3.984 6.423 8.549 267 HA VAL 32 HA VAL 32 3.148 8.447 6.833 268 HB VAL 32 HB VAL 32 5.639 8.461 8.578 269 HG11 VAL 32 1HG1 VAL 32 4.065 10.843 8.729 270 HG12 VAL 32 2HG1 VAL 32 4.329 10.473 7.025 271 HG13 VAL 32 3HG1 VAL 32 5.706 10.660 8.111 272 HG21 VAL 32 3HG2 VAL 32 3.997 7.646 10.032 273 HG22 VAL 32 1HG2 VAL 32 2.700 8.517 9.214 274 HG23 VAL 32 2HG2 VAL 32 3.831 9.388 10.249 275 H GLU 33 H GLU 33 6.517 7.241 7.069 276 HA GLU 33 HA GLU 33 7.434 8.577 4.689 277 HB2 GLU 33 2HB GLU 33 8.534 7.232 6.801 278 HB3 GLU 33 1HB GLU 33 8.675 6.013 5.534 279 HG2 GLU 33 2HG GLU 33 10.586 7.119 4.987 280 HG3 GLU 33 1HG GLU 33 9.494 8.262 4.205 281 H LEU 34 H LEU 34 5.977 5.434 5.369 282 HA LEU 34 HA LEU 34 6.368 4.290 2.748 283 HB2 LEU 34 2HB LEU 34 5.326 3.600 5.296 284 HB3 LEU 34 1HB LEU 34 4.047 3.297 4.121 285 HG LEU 34 HG LEU 34 6.896 2.278 3.915 286 HD11 LEU 34 1HD1 LEU 34 4.700 0.343 4.061 287 HD12 LEU 34 2HD1 LEU 34 4.842 1.328 5.517 288 HD13 LEU 34 3HD1 LEU 34 6.220 0.383 4.954 289 HD21 LEU 34 3HD2 LEU 34 5.225 2.812 1.848 290 HD22 LEU 34 1HD2 LEU 34 4.687 1.185 2.259 291 HD23 LEU 34 2HD2 LEU 34 6.374 1.474 1.834 292 H SER 35 H SER 35 4.273 6.695 3.987 293 HA SER 35 HA SER 35 2.100 6.253 2.064 294 HB2 SER 35 2HB SER 35 1.039 7.912 3.312 295 HB3 SER 35 1HB SER 35 2.123 7.202 4.506 296 HG SER 35 HG SER 35 2.152 9.688 3.322 297 H LYS 36 H LYS 36 4.563 8.799 2.624 298 HA LYS 36 HA LYS 36 3.906 10.187 0.141 299 HB2 LYS 36 2HB LYS 36 6.058 10.372 2.256 300 HB3 LYS 36 1HB LYS 36 6.038 11.439 0.852 301 HG2 LYS 36 2HG LYS 36 4.316 12.661 1.668 302 HG3 LYS 36 1HG LYS 36 3.433 11.226 2.184 303 HD2 LYS 36 2HD LYS 36 4.161 12.716 4.082 304 HD3 LYS 36 1HD LYS 36 4.756 11.059 4.203 305 HE2 LYS 36 2HE LYS 36 6.823 11.995 4.439 306 HE3 LYS 36 1HE LYS 36 6.724 12.352 2.703 307 HZ1 LYS 36 3HZ LYS 36 5.538 14.403 3.247 308 HZ2 LYS 36 1HZ LYS 36 7.080 14.384 3.955 309 HZ3 LYS 36 2HZ LYS 36 5.707 14.073 4.905 310 H ARG 37 H ARG 37 6.103 7.625 1.050 311 HA ARG 37 HA ARG 37 8.016 7.978 -1.079 312 HB2 ARG 37 2HB ARG 37 7.183 5.825 0.839 313 HB3 ARG 37 1HB ARG 37 8.297 5.419 -0.468 314 HG2 ARG 37 2HG ARG 37 9.621 7.514 0.302 315 HG3 ARG 37 1HG ARG 37 8.681 7.376 1.788 316 HD2 ARG 37 2HD ARG 37 9.509 5.117 2.171 317 HD3 ARG 37 1HD ARG 37 10.338 5.122 0.602 318 HE ARG 37 HE ARG 37 11.442 6.236 2.955 319 HH11 ARG 37 1HH1 ARG 37 12.750 6.007 0.192 320 HH12 ARG 37 2HH1 ARG 37 13.118 7.668 -0.131 321 HH21 ARG 37 1HH2 ARG 37 11.020 8.890 2.344 322 HH22 ARG 37 2HH2 ARG 37 12.137 9.301 1.085 323 H VAL 38 H VAL 38 4.824 6.785 -0.974 324 HA VAL 38 HA VAL 38 5.159 5.517 -3.663 325 HB VAL 38 HB VAL 38 2.779 4.603 -2.855 326 HG11 VAL 38 1HG1 VAL 38 4.087 2.717 -1.706 327 HG12 VAL 38 2HG1 VAL 38 5.532 3.666 -2.041 328 HG13 VAL 38 3HG1 VAL 38 4.531 3.083 -3.372 329 HG21 VAL 38 3HG2 VAL 38 2.774 4.253 -0.418 330 HG22 VAL 38 1HG2 VAL 38 2.789 5.975 -0.791 331 HG23 VAL 38 2HG2 VAL 38 4.272 5.173 -0.279 332 H GLY 39 H GLY 39 3.961 8.208 -2.036 333 HA2 GLY 39 2HA GLY 39 3.038 10.118 -3.130 334 HA3 GLY 39 1HA GLY 39 2.573 9.089 -4.482 335 H LEU 40 H LEU 40 1.841 8.642 -1.014 336 HA LEU 40 HA LEU 40 -0.999 9.354 -1.499 337 HB2 LEU 40 2HB LEU 40 -1.586 7.037 -0.491 338 HB3 LEU 40 1HB LEU 40 -1.072 7.083 -2.179 339 HG LEU 40 HG LEU 40 1.224 6.892 -0.459 340 HD11 LEU 40 1HD1 LEU 40 0.827 4.831 0.677 341 HD12 LEU 40 2HD1 LEU 40 -0.684 4.564 -0.191 342 HD13 LEU 40 3HD1 LEU 40 -0.582 5.832 1.029 343 HD21 LEU 40 3HD2 LEU 40 1.575 6.116 -2.605 344 HD22 LEU 40 1HD2 LEU 40 -0.044 5.429 -2.730 345 HD23 LEU 40 2HD2 LEU 40 1.203 4.587 -1.811 346 H SER 41 H SER 41 -2.233 9.391 0.534 347 HA SER 41 HA SER 41 -0.743 10.421 2.781 348 HB2 SER 41 2HB SER 41 -3.566 9.563 2.191 349 HB3 SER 41 1HB SER 41 -3.104 9.954 3.846 350 HG SER 41 HG SER 41 -3.295 11.584 1.589 351 HA PRO 42 HA PRO 42 0.261 6.709 4.709 352 HB2 PRO 42 2HB PRO 42 0.200 7.418 7.350 353 HB3 PRO 42 1HB PRO 42 1.470 7.945 6.230 354 HG2 PRO 42 2HG PRO 42 -0.897 9.434 7.242 355 HG3 PRO 42 1HG PRO 42 0.740 10.014 6.897 356 HD2 PRO 42 2HD PRO 42 -1.417 10.373 5.226 357 HD3 PRO 42 1HD PRO 42 0.277 10.376 4.691 358 H THR 43 H THR 43 -2.514 8.359 6.256 359 HA THR 43 HA THR 43 -3.746 6.354 7.675 360 HB THR 43 HB THR 43 -4.648 8.565 5.888 361 HG1 THR 43 1HG THR 43 -5.607 7.914 8.442 362 HG21 THR 43 3HG2 THR 43 -6.224 6.786 5.263 363 HG22 THR 43 1HG2 THR 43 -7.036 7.999 6.254 364 HG23 THR 43 2HG2 THR 43 -6.548 6.461 6.967 365 HA PRO 44 HA PRO 44 -5.443 4.264 3.741 366 HB2 PRO 44 2HB PRO 44 -4.641 5.227 1.304 367 HB3 PRO 44 1HB PRO 44 -6.069 5.846 2.157 368 HG2 PRO 44 2HG PRO 44 -3.340 7.012 1.935 369 HG3 PRO 44 1HG PRO 44 -4.915 7.820 1.957 370 HD2 PRO 44 2HD PRO 44 -3.222 7.677 4.121 371 HD3 PRO 44 1HD PRO 44 -4.982 7.890 4.241 372 H CYS 45 H CYS 45 -2.188 5.657 3.107 373 HA CYS 45 HA CYS 45 -0.866 3.685 1.732 374 HB2 CYS 45 2HB CYS 45 0.131 5.725 2.774 375 HB3 CYS 45 1HB CYS 45 0.046 4.930 4.347 376 HG CYS 45 HG CYS 45 1.737 3.667 2.041 377 H LEU 46 H LEU 46 -1.434 3.614 5.251 378 HA LEU 46 HA LEU 46 -0.546 0.972 5.757 379 HB2 LEU 46 2HB LEU 46 -2.791 2.655 6.928 380 HB3 LEU 46 1HB LEU 46 -2.143 1.198 7.688 381 HG LEU 46 HG LEU 46 0.069 2.831 6.989 382 HD11 LEU 46 1HD1 LEU 46 -1.254 4.526 8.906 383 HD12 LEU 46 2HD1 LEU 46 -2.221 4.423 7.435 384 HD13 LEU 46 3HD1 LEU 46 -0.543 4.961 7.351 385 HD21 LEU 46 3HD2 LEU 46 0.627 2.542 9.246 386 HD22 LEU 46 1HD2 LEU 46 -0.442 1.173 8.949 387 HD23 LEU 46 2HD2 LEU 46 -1.056 2.609 9.768 388 H GLU 47 H GLU 47 -3.842 2.170 5.078 389 HA GLU 47 HA GLU 47 -5.269 -0.198 4.882 390 HB2 GLU 47 2HB GLU 47 -5.418 2.496 3.936 391 HB3 GLU 47 1HB GLU 47 -5.918 1.427 2.626 392 HG2 GLU 47 2HG GLU 47 -6.975 0.993 5.409 393 HG3 GLU 47 1HG GLU 47 -7.705 2.216 4.369 394 H ARG 48 H ARG 48 -3.142 1.242 2.412 395 HA ARG 48 HA ARG 48 -3.502 -0.816 0.429 396 HB2 ARG 48 2HB ARG 48 -1.093 0.969 0.918 397 HB3 ARG 48 1HB ARG 48 -1.614 0.291 -0.626 398 HG2 ARG 48 2HG ARG 48 -3.593 1.965 0.854 399 HG3 ARG 48 1HG ARG 48 -2.233 2.802 0.109 400 HD2 ARG 48 2HD ARG 48 -3.070 2.488 -1.980 401 HD3 ARG 48 1HD ARG 48 -3.440 0.783 -1.653 402 HE ARG 48 HE ARG 48 -5.212 2.496 -0.158 403 HH11 ARG 48 1HH2 ARG 48 -5.293 0.094 -2.365 404 HH12 ARG 48 2HH2 ARG 48 -6.589 0.721 -3.328 405 HH21 ARG 48 1HH1 ARG 48 -6.571 3.835 -1.801 406 HH22 ARG 48 2HH1 ARG 48 -7.313 2.839 -3.008 407 H VAL 49 H VAL 49 -0.970 -0.226 2.876 408 HA VAL 49 HA VAL 49 0.569 -2.584 2.385 409 HB VAL 49 HB VAL 49 0.324 -0.401 4.315 410 HG11 VAL 49 1HG1 VAL 49 1.279 -3.080 5.391 411 HG12 VAL 49 2HG1 VAL 49 -0.242 -2.308 5.840 412 HG13 VAL 49 3HG1 VAL 49 1.289 -1.539 6.252 413 HG21 VAL 49 3HG2 VAL 49 2.759 -2.110 3.938 414 HG22 VAL 49 1HG2 VAL 49 2.636 -0.356 4.089 415 HG23 VAL 49 2HG2 VAL 49 2.170 -1.150 2.584 416 H ARG 50 H ARG 50 -2.131 -1.934 4.624 417 HA ARG 50 HA ARG 50 -2.288 -4.298 6.061 418 HB2 ARG 50 2HB ARG 50 -4.515 -2.732 4.720 419 HB3 ARG 50 1HB ARG 50 -4.730 -3.827 6.087 420 HG2 ARG 50 2HG ARG 50 -2.696 -1.646 6.327 421 HG3 ARG 50 1HG ARG 50 -4.399 -1.218 6.474 422 HD2 ARG 50 2HD ARG 50 -3.670 -3.625 8.000 423 HD3 ARG 50 1HD ARG 50 -2.842 -2.154 8.544 424 HE ARG 50 HE ARG 50 -5.431 -1.293 8.164 425 HH11 ARG 50 1HH2 ARG 50 -6.171 -4.192 8.699 426 HH12 ARG 50 2HH2 ARG 50 -6.437 -4.164 10.411 427 HH21 ARG 50 1HH1 ARG 50 -4.838 -1.123 10.879 428 HH22 ARG 50 2HH1 ARG 50 -5.683 -2.427 11.645 429 H ARG 51 H ARG 51 -3.739 -3.714 2.862 430 HA ARG 51 HA ARG 51 -4.713 -6.316 2.350 431 HB2 ARG 51 2HB ARG 51 -5.318 -4.728 0.760 432 HB3 ARG 51 1HB ARG 51 -3.721 -3.980 0.758 433 HG2 ARG 51 2HG ARG 51 -4.265 -5.250 -1.356 434 HG3 ARG 51 1HG ARG 51 -2.797 -5.795 -0.546 435 HD2 ARG 51 2HD ARG 51 -3.846 -7.848 -0.927 436 HD3 ARG 51 1HD ARG 51 -4.518 -7.451 0.667 437 HE ARG 51 HE ARG 51 -5.932 -6.719 -1.873 438 HH11 ARG 51 1HH1 ARG 51 -6.243 -9.297 -0.015 439 HH12 ARG 51 2HH1 ARG 51 -7.763 -8.907 0.718 440 HH21 ARG 51 1HH2 ARG 51 -7.733 -5.608 -0.349 441 HH22 ARG 51 2HH2 ARG 51 -8.605 -6.818 0.532 442 H LEU 52 H LEU 52 -1.461 -4.945 1.892 443 HA LEU 52 HA LEU 52 -0.317 -7.371 0.765 444 HB2 LEU 52 2HB LEU 52 0.660 -4.763 1.912 445 HB3 LEU 52 1HB LEU 52 1.815 -6.036 1.516 446 HG LEU 52 HG LEU 52 -0.180 -4.764 -0.379 447 HD11 LEU 52 1HD1 LEU 52 2.714 -4.413 0.203 448 HD12 LEU 52 2HD1 LEU 52 1.541 -3.250 -0.415 449 HD13 LEU 52 3HD1 LEU 52 2.260 -4.440 -1.500 450 HD21 LEU 52 3HD2 LEU 52 -0.068 -6.872 -1.291 451 HD22 LEU 52 1HD2 LEU 52 1.470 -7.241 -0.509 452 HD23 LEU 52 2HD2 LEU 52 1.436 -6.236 -1.958 453 H GLU 53 H GLU 53 -0.719 -6.034 4.001 454 HA GLU 53 HA GLU 53 1.036 -8.002 5.281 455 HB2 GLU 53 2HB GLU 53 0.936 -5.929 6.372 456 HB3 GLU 53 1HB GLU 53 -0.793 -5.750 6.077 457 HG2 GLU 53 2HG GLU 53 -1.346 -6.856 7.976 458 HG3 GLU 53 1HG GLU 53 -0.125 -8.101 7.707 459 H ARG 54 H ARG 54 -2.409 -7.636 4.621 460 HA ARG 54 HA ARG 54 -3.303 -9.726 6.427 461 HB2 ARG 54 2HB ARG 54 -4.539 -8.457 3.957 462 HB3 ARG 54 1HB ARG 54 -5.414 -9.414 5.152 463 HG2 ARG 54 2HG ARG 54 -3.802 -7.170 6.232 464 HG3 ARG 54 1HG ARG 54 -5.211 -6.712 5.276 465 HD2 ARG 54 2HD ARG 54 -5.732 -8.899 7.193 466 HD3 ARG 54 1HD ARG 54 -5.319 -7.345 7.945 467 HE ARG 54 HE ARG 54 -7.082 -6.379 6.298 468 HH11 ARG 54 1HH1 ARG 54 -7.556 -8.649 8.659 469 HH12 ARG 54 2HH1 ARG 54 -9.074 -9.240 8.066 470 HH21 ARG 54 1HH2 ARG 54 -8.862 -7.536 5.052 471 HH22 ARG 54 2HH2 ARG 54 -9.813 -8.606 6.025 472 H GLN 55 H GLN 55 -1.864 -9.692 3.275 473 HA GLN 55 HA GLN 55 -2.838 -12.431 2.644 474 HB2 GLN 55 2HB GLN 55 -1.884 -11.936 0.447 475 HB3 GLN 55 1HB GLN 55 -2.848 -10.557 0.975 476 HG2 GLN 55 2HG GLN 55 -1.047 -9.200 1.009 477 HG3 GLN 55 1HG GLN 55 -0.099 -10.377 1.919 478 HE21 GLN 55 1HE2 GLN 55 0.423 -12.449 0.374 479 HE22 GLN 55 2HE2 GLN 55 1.048 -12.026 -1.146 480 H GLY 56 H GLY 56 -0.627 -11.455 4.694 481 HA2 GLY 56 2HA GLY 56 1.311 -12.472 5.552 482 HA3 GLY 56 1HA GLY 56 1.065 -13.775 4.387 483 H PHE 57 H PHE 57 1.862 -10.283 4.215 484 HA PHE 57 HA PHE 57 4.281 -10.981 2.624 485 HB2 PHE 57 2HB PHE 57 1.835 -10.230 1.503 486 HB3 PHE 57 1HB PHE 57 2.773 -8.735 1.510 487 HD1 PHE 57 1HD PHE 57 3.756 -12.330 1.091 488 HD2 PHE 57 2HD PHE 57 3.671 -8.391 -0.619 489 HE1 PHE 57 1HE PHE 57 5.073 -13.143 -0.847 490 HE2 PHE 57 2HE PHE 57 4.990 -9.204 -2.555 491 HZ PHE 57 HZ PHE 57 5.692 -11.579 -2.670 492 H ILE 58 H ILE 58 3.203 -9.504 5.256 493 HA ILE 58 HA ILE 58 5.232 -7.322 5.079 494 HB ILE 58 HB ILE 58 2.519 -6.938 6.343 495 HG12 ILE 58 2HG1 ILE 58 2.291 -7.598 3.909 496 HG13 ILE 58 1HG1 ILE 58 1.701 -5.979 4.279 497 HG21 ILE 58 1HG2 ILE 58 3.077 -4.555 5.864 498 HG22 ILE 58 2HG2 ILE 58 4.635 -5.078 5.222 499 HG23 ILE 58 3HG2 ILE 58 4.253 -5.327 6.928 500 HD11 ILE 58 3HD1 ILE 58 4.553 -6.029 3.606 501 HD12 ILE 58 1HD1 ILE 58 3.269 -4.991 2.984 502 HD13 ILE 58 2HD1 ILE 58 3.523 -6.594 2.291 503 H GLN 59 H GLN 59 5.359 -9.926 6.377 504 HA GLN 59 HA GLN 59 4.873 -9.529 9.238 505 HB2 GLN 59 2HB GLN 59 6.061 -11.758 9.319 506 HB3 GLN 59 1HB GLN 59 4.681 -11.729 8.221 507 HG2 GLN 59 2HG GLN 59 7.009 -10.835 6.798 508 HG3 GLN 59 1HG GLN 59 7.386 -12.360 7.601 509 HE21 GLN 59 1HE2 GLN 59 5.503 -14.079 7.334 510 HE22 GLN 59 2HE2 GLN 59 4.806 -14.170 5.788 511 H GLY 60 H GLY 60 7.342 -8.736 7.022 512 HA2 GLY 60 2HA GLY 60 9.216 -8.188 9.287 513 HA3 GLY 60 1HA GLY 60 9.793 -8.754 7.719 514 H TYR 61 H TYR 61 8.093 -7.216 6.060 515 HA TYR 61 HA TYR 61 9.512 -4.780 5.784 516 HB2 TYR 61 2HB TYR 61 6.739 -5.674 4.947 517 HB3 TYR 61 1HB TYR 61 7.506 -4.210 4.341 518 HD1 TYR 61 2HD TYR 61 10.271 -6.082 4.801 519 HD2 TYR 61 1HD TYR 61 6.741 -6.130 2.353 520 HE1 TYR 61 2HE TYR 61 11.474 -7.414 3.092 521 HE2 TYR 61 1HE TYR 61 7.944 -7.466 0.647 522 HH TYR 61 HH TYR 61 11.127 -7.709 0.412 523 H THR 62 H THR 62 6.344 -3.747 5.784 524 HA THR 62 HA THR 62 6.822 -2.094 8.168 525 HB THR 62 HB THR 62 5.885 -1.326 5.937 526 HG1 THR 62 1HG THR 62 3.970 -0.319 7.227 527 HG21 THR 62 3HG2 THR 62 3.283 -1.679 5.927 528 HG22 THR 62 1HG2 THR 62 3.670 -3.103 6.889 529 HG23 THR 62 2HG2 THR 62 4.334 -2.929 5.266 530 H ALA 63 H ALA 63 6.207 -5.083 8.297 531 HA ALA 63 HA ALA 63 3.755 -5.915 9.114 532 HB1 ALA 63 1HB ALA 63 6.467 -6.512 9.710 533 HB2 ALA 63 2HB ALA 63 5.066 -7.550 9.978 534 HB3 ALA 63 3HB ALA 63 5.620 -6.468 11.256 535 H LEU 64 H LEU 64 5.775 -3.574 10.806 536 HA LEU 64 HA LEU 64 4.315 -3.269 13.212 537 HB2 LEU 64 2HB LEU 64 5.268 -0.859 12.953 538 HB3 LEU 64 1HB LEU 64 6.423 -2.191 12.985 539 HG LEU 64 HG LEU 64 5.401 -1.605 10.286 540 HD11 LEU 64 1HD1 LEU 64 7.084 0.422 10.248 541 HD12 LEU 64 2HD1 LEU 64 6.699 0.520 11.967 542 HD13 LEU 64 3HD1 LEU 64 5.418 0.678 10.767 543 HD21 LEU 64 3HD2 LEU 64 7.814 -2.511 11.657 544 HD22 LEU 64 1HD2 LEU 64 8.185 -1.315 10.414 545 HD23 LEU 64 2HD2 LEU 64 7.309 -2.786 9.989 546 H LEU 65 H LEU 65 4.111 -0.310 11.598 547 HA LEU 65 HA LEU 65 2.173 1.030 11.244 548 HB2 LEU 65 2HB LEU 65 1.471 0.500 9.092 549 HB3 LEU 65 1HB LEU 65 2.886 -0.549 9.192 550 HG LEU 65 HG LEU 65 0.786 -2.039 10.341 551 HD11 LEU 65 1HD1 LEU 65 -0.746 -2.002 8.221 552 HD12 LEU 65 2HD1 LEU 65 -0.094 -0.380 7.991 553 HD13 LEU 65 3HD1 LEU 65 -0.984 -0.772 9.462 554 HD21 LEU 65 3HD2 LEU 65 2.121 -3.390 9.099 555 HD22 LEU 65 1HD2 LEU 65 2.539 -2.093 7.981 556 HD23 LEU 65 2HD2 LEU 65 1.034 -2.988 7.770 557 H ASN 66 H ASN 66 1.895 -1.012 13.458 558 HA ASN 66 HA ASN 66 -1.021 -0.838 13.742 559 HB2 ASN 66 2HB ASN 66 0.145 -3.030 12.421 560 HB3 ASN 66 1HB ASN 66 -0.198 -3.618 14.050 561 HD21 ASN 66 1HD2 ASN 66 -2.453 -3.684 14.745 562 HD22 ASN 66 2HD2 ASN 66 -3.728 -3.507 13.639 Start of MODEL 9 1 H1 MET 1 1HT MET 1 11.264 -15.877 5.036 2 H2 MET 1 2HT MET 1 10.365 -14.636 4.302 3 H3 MET 1 3HT MET 1 11.698 -14.255 5.284 4 HA MET 1 HA MET 1 13.204 -15.300 3.694 5 HB2 MET 1 2HB MET 1 11.424 -16.957 3.045 6 HB3 MET 1 1HB MET 1 10.634 -15.677 2.122 7 HG2 MET 1 2HG MET 1 12.630 -15.417 0.724 8 HG3 MET 1 1HG MET 1 13.478 -16.633 1.677 9 HE1 MET 1 2HE MET 1 13.411 -19.388 0.058 10 HE2 MET 1 3HE MET 1 14.194 -17.814 0.171 11 HE3 MET 1 1HE MET 1 13.435 -18.321 -1.343 12 H VAL 2 H VAL 2 14.217 -13.472 2.974 13 HA VAL 2 HA VAL 2 12.544 -11.313 1.731 14 HB VAL 2 HB VAL 2 14.419 -9.846 2.519 15 HG11 VAL 2 1HG1 VAL 2 13.931 -10.117 4.959 16 HG12 VAL 2 2HG1 VAL 2 13.130 -11.645 4.592 17 HG13 VAL 2 3HG1 VAL 2 12.477 -10.133 3.961 18 HG21 VAL 2 3HG2 VAL 2 15.406 -12.354 3.905 19 HG22 VAL 2 1HG2 VAL 2 16.161 -10.760 3.924 20 HG23 VAL 2 2HG2 VAL 2 16.130 -11.703 2.434 21 H ASP 3 H ASP 3 13.307 -13.399 0.042 22 HA ASP 3 HA ASP 3 15.849 -12.724 -1.280 23 HB2 ASP 3 2HB ASP 3 13.589 -14.691 -1.730 24 HB3 ASP 3 1HB ASP 3 14.958 -14.568 -2.836 25 H SER 4 H SER 4 12.378 -12.282 -1.841 26 HA SER 4 HA SER 4 12.889 -10.082 -3.695 27 HB2 SER 4 2HB SER 4 12.190 -12.855 -4.580 28 HB3 SER 4 1HB SER 4 11.478 -11.506 -5.461 29 HG SER 4 HG SER 4 14.237 -11.609 -4.870 30 H LYS 5 H LYS 5 10.568 -9.595 -4.812 31 HA LYS 5 HA LYS 5 8.585 -9.687 -2.575 32 HB2 LYS 5 2HB LYS 5 8.851 -7.872 -4.998 33 HB3 LYS 5 1HB LYS 5 7.695 -7.664 -3.682 34 HG2 LYS 5 2HG LYS 5 9.618 -7.495 -2.085 35 HG3 LYS 5 1HG LYS 5 10.718 -7.555 -3.461 36 HD2 LYS 5 2HD LYS 5 8.560 -5.465 -3.040 37 HD3 LYS 5 1HD LYS 5 10.285 -5.218 -2.754 38 HE2 LYS 5 2HE LYS 5 9.182 -6.099 -5.444 39 HE3 LYS 5 1HE LYS 5 9.464 -4.399 -5.022 40 HZ1 LYS 5 3HZ LYS 5 11.708 -5.697 -4.160 41 HZ2 LYS 5 1HZ LYS 5 11.583 -4.765 -5.572 42 HZ3 LYS 5 2HZ LYS 5 11.368 -6.447 -5.646 43 H LYS 6 H LYS 6 7.946 -11.917 -3.306 44 HA LYS 6 HA LYS 6 6.657 -12.151 -5.951 45 HB2 LYS 6 2HB LYS 6 8.076 -13.904 -4.764 46 HB3 LYS 6 1HB LYS 6 6.734 -14.107 -3.637 47 HG2 LYS 6 2HG LYS 6 5.268 -14.472 -5.725 48 HG3 LYS 6 1HG LYS 6 6.785 -14.670 -6.604 49 HD2 LYS 6 2HD LYS 6 7.107 -16.251 -4.325 50 HD3 LYS 6 1HD LYS 6 5.436 -16.532 -4.813 51 HE2 LYS 6 2HE LYS 6 7.618 -16.575 -6.893 52 HE3 LYS 6 1HE LYS 6 7.307 -18.010 -5.896 53 HZ1 LYS 6 3HZ LYS 6 4.929 -17.776 -6.462 54 HZ2 LYS 6 1HZ LYS 6 5.893 -18.088 -7.822 55 HZ3 LYS 6 2HZ LYS 6 5.322 -16.515 -7.530 56 H ARG 7 H ARG 7 4.909 -14.047 -3.869 57 HA ARG 7 HA ARG 7 2.694 -13.918 -3.057 58 HB2 ARG 7 2HB ARG 7 3.132 -10.943 -2.812 59 HB3 ARG 7 1HB ARG 7 2.325 -12.038 -1.690 60 HG2 ARG 7 2HG ARG 7 5.299 -11.777 -2.186 61 HG3 ARG 7 1HG ARG 7 4.428 -11.489 -0.684 62 HD2 ARG 7 2HD ARG 7 4.088 -13.786 -0.287 63 HD3 ARG 7 1HD ARG 7 4.342 -14.210 -1.991 64 HE ARG 7 HE ARG 7 6.751 -13.521 -1.651 65 HH11 ARG 7 1HH2 ARG 7 5.977 -16.008 -0.020 66 HH12 ARG 7 2HH2 ARG 7 6.733 -15.647 1.496 67 HH21 ARG 7 1HH1 ARG 7 7.201 -12.290 0.765 68 HH22 ARG 7 2HH1 ARG 7 7.425 -13.541 1.940 69 HA PRO 8 HA PRO 8 0.065 -12.247 -6.194 70 HB2 PRO 8 2HB PRO 8 -1.612 -10.316 -5.216 71 HB3 PRO 8 1HB PRO 8 -1.788 -12.040 -4.835 72 HG2 PRO 8 2HG PRO 8 -0.680 -9.840 -3.185 73 HG3 PRO 8 1HG PRO 8 -1.567 -11.288 -2.692 74 HD2 PRO 8 2HD PRO 8 1.172 -10.950 -2.499 75 HD3 PRO 8 1HD PRO 8 0.338 -12.516 -2.481 76 H GLY 9 H GLY 9 2.465 -11.125 -6.548 77 HA2 GLY 9 2HA GLY 9 2.314 -8.202 -6.691 78 HA3 GLY 9 1HA GLY 9 3.665 -9.201 -7.236 79 H LYS 10 H LYS 10 1.733 -10.923 -8.803 80 HA LYS 10 HA LYS 10 1.874 -9.423 -11.294 81 HB2 LYS 10 2HB LYS 10 1.078 -11.493 -12.235 82 HB3 LYS 10 1HB LYS 10 2.150 -11.931 -10.904 83 HG2 LYS 10 2HG LYS 10 0.324 -12.433 -9.461 84 HG3 LYS 10 1HG LYS 10 -0.834 -11.635 -10.524 85 HD2 LYS 10 2HD LYS 10 -1.104 -13.982 -10.901 86 HD3 LYS 10 1HD LYS 10 -0.210 -13.364 -12.290 87 HE2 LYS 10 2HE LYS 10 1.900 -13.971 -10.781 88 HE3 LYS 10 1HE LYS 10 0.747 -15.107 -10.051 89 HZ1 LYS 10 3HZ LYS 10 2.062 -15.635 -12.302 90 HZ2 LYS 10 1HZ LYS 10 0.687 -14.884 -12.951 91 HZ3 LYS 10 2HZ LYS 10 0.518 -16.259 -11.966 92 H ASP 11 H ASP 11 -0.208 -9.146 -8.763 93 HA ASP 11 HA ASP 11 -2.232 -7.771 -10.355 94 HB2 ASP 11 2HB ASP 11 -2.899 -10.106 -10.676 95 HB3 ASP 11 1HB ASP 11 -2.830 -10.390 -8.936 96 H LEU 12 H LEU 12 -1.173 -6.241 -8.728 97 HA LEU 12 HA LEU 12 -2.752 -6.265 -6.196 98 HB2 LEU 12 2HB LEU 12 -0.020 -6.937 -6.519 99 HB3 LEU 12 1HB LEU 12 -0.047 -5.333 -5.786 100 HG LEU 12 HG LEU 12 -1.555 -7.757 -4.768 101 HD11 LEU 12 1HD1 LEU 12 0.049 -7.850 -3.007 102 HD12 LEU 12 2HD1 LEU 12 0.728 -6.282 -3.443 103 HD13 LEU 12 3HD1 LEU 12 0.993 -7.679 -4.486 104 HD21 LEU 12 3HD2 LEU 12 -2.814 -6.258 -3.653 105 HD22 LEU 12 1HD2 LEU 12 -1.885 -4.926 -4.340 106 HD23 LEU 12 2HD2 LEU 12 -1.356 -5.689 -2.841 107 H ASP 13 H ASP 13 -3.192 -4.153 -5.402 108 HA ASP 13 HA ASP 13 -3.459 -2.006 -7.178 109 HB2 ASP 13 2HB ASP 13 -3.069 -2.175 -4.179 110 HB3 ASP 13 1HB ASP 13 -3.482 -0.664 -4.989 111 H ARG 14 H ARG 14 -2.130 -0.298 -7.799 112 HA ARG 14 HA ARG 14 0.660 -0.647 -7.933 113 HB2 ARG 14 2HB ARG 14 -0.892 1.960 -7.910 114 HB3 ARG 14 1HB ARG 14 0.641 1.655 -8.725 115 HG2 ARG 14 2HG ARG 14 -2.098 0.603 -9.421 116 HG3 ARG 14 1HG ARG 14 -0.945 1.442 -10.458 117 HD2 ARG 14 2HD ARG 14 0.567 -0.515 -10.379 118 HD3 ARG 14 1HD ARG 14 -0.590 -1.362 -9.332 119 HE ARG 14 HE ARG 14 -1.878 -1.781 -11.263 120 HH11 ARG 14 1HH2 ARG 14 0.448 0.686 -11.820 121 HH12 ARG 14 2HH2 ARG 14 -0.156 1.093 -13.393 122 HH21 ARG 14 1HH1 ARG 14 -2.806 -1.138 -13.243 123 HH22 ARG 14 2HH1 ARG 14 -1.998 0.059 -14.198 124 H ILE 15 H ILE 15 -1.308 0.678 -5.363 125 HA ILE 15 HA ILE 15 0.836 2.081 -3.988 126 HB ILE 15 HB ILE 15 -1.748 0.985 -2.853 127 HG12 ILE 15 2HG1 ILE 15 -2.412 2.073 -4.882 128 HG13 ILE 15 1HG1 ILE 15 -2.676 3.251 -3.597 129 HG21 ILE 15 1HG2 ILE 15 0.302 2.953 -2.063 130 HG22 ILE 15 2HG2 ILE 15 -0.833 2.050 -1.064 131 HG23 ILE 15 3HG2 ILE 15 -1.358 3.518 -1.887 132 HD11 ILE 15 3HD1 ILE 15 -0.204 3.974 -4.151 133 HD12 ILE 15 1HD1 ILE 15 -1.531 4.543 -5.164 134 HD13 ILE 15 2HD1 ILE 15 -0.532 3.191 -5.697 135 H ASP 16 H ASP 16 -0.578 -1.164 -3.805 136 HA ASP 16 HA ASP 16 0.872 -1.948 -1.412 137 HB2 ASP 16 2HB ASP 16 -0.597 -3.414 -3.622 138 HB3 ASP 16 1HB ASP 16 0.050 -4.224 -2.195 139 H ARG 17 H ARG 17 1.224 -2.954 -4.849 140 HA ARG 17 HA ARG 17 3.612 -4.417 -4.555 141 HB2 ARG 17 2HB ARG 17 3.811 -4.071 -6.975 142 HB3 ARG 17 1HB ARG 17 2.119 -4.317 -6.549 143 HG2 ARG 17 2HG ARG 17 1.873 -1.803 -6.443 144 HG3 ARG 17 1HG ARG 17 3.499 -1.682 -7.115 145 HD2 ARG 17 2HD ARG 17 2.341 -3.465 -8.852 146 HD3 ARG 17 1HD ARG 17 0.973 -2.406 -8.459 147 HE ARG 17 HE ARG 17 2.451 -0.471 -9.077 148 HH11 ARG 17 1HH1 ARG 17 5.064 -1.925 -9.118 149 HH12 ARG 17 2HH1 ARG 17 5.316 -2.180 -10.812 150 HH21 ARG 17 1HH2 ARG 17 2.017 -1.544 -11.669 151 HH22 ARG 17 2HH2 ARG 17 3.592 -1.964 -12.255 152 H ASN 18 H ASN 18 3.204 -0.966 -5.275 153 HA ASN 18 HA ASN 18 6.006 -0.354 -5.435 154 HB2 ASN 18 2HB ASN 18 3.444 1.154 -4.909 155 HB3 ASN 18 1HB ASN 18 4.995 1.986 -4.820 156 HD21 ASN 18 1HD2 ASN 18 6.467 1.029 -6.896 157 HD22 ASN 18 2HD2 ASN 18 5.671 1.239 -8.379 158 H ILE 19 H ILE 19 3.689 -0.562 -2.783 159 HA ILE 19 HA ILE 19 5.336 0.594 -0.734 160 HB ILE 19 HB ILE 19 2.944 -1.209 -0.956 161 HG12 ILE 19 2HG1 ILE 19 3.352 1.281 0.709 162 HG13 ILE 19 1HG1 ILE 19 2.953 1.362 -1.008 163 HG21 ILE 19 1HG2 ILE 19 4.290 -0.587 1.688 164 HG22 ILE 19 2HG2 ILE 19 4.398 -2.150 0.878 165 HG23 ILE 19 3HG2 ILE 19 2.837 -1.553 1.434 166 HD11 ILE 19 3HD1 ILE 19 0.785 0.964 -0.558 167 HD12 ILE 19 1HD1 ILE 19 1.164 0.999 1.163 168 HD13 ILE 19 2HD1 ILE 19 1.207 -0.528 0.282 169 H LEU 20 H LEU 20 4.856 -2.772 -1.865 170 HA LEU 20 HA LEU 20 6.650 -4.007 0.006 171 HB2 LEU 20 2HB LEU 20 5.888 -4.751 -2.846 172 HB3 LEU 20 1HB LEU 20 6.551 -5.855 -1.641 173 HG LEU 20 HG LEU 20 4.074 -4.292 -0.986 174 HD11 LEU 20 1HD1 LEU 20 3.048 -5.213 -2.794 175 HD12 LEU 20 2HD1 LEU 20 3.103 -6.708 -1.860 176 HD13 LEU 20 3HD1 LEU 20 4.352 -6.372 -3.058 177 HD21 LEU 20 3HD2 LEU 20 5.225 -6.992 -0.229 178 HD22 LEU 20 1HD2 LEU 20 3.631 -6.435 0.284 179 HD23 LEU 20 2HD2 LEU 20 5.079 -5.569 0.802 180 H ASN 21 H ASN 21 7.117 -2.633 -3.258 181 HA ASN 21 HA ASN 21 9.882 -3.334 -3.558 182 HB2 ASN 21 2HB ASN 21 8.735 -2.613 -5.486 183 HB3 ASN 21 1HB ASN 21 7.991 -1.253 -4.645 184 HD21 ASN 21 1HD2 ASN 21 10.972 -2.363 -6.211 185 HD22 ASN 21 2HD2 ASN 21 11.720 -0.840 -6.262 186 H GLU 22 H GLU 22 8.221 -0.716 -1.887 187 HA GLU 22 HA GLU 22 10.629 0.847 -1.385 188 HB2 GLU 22 2HB GLU 22 7.730 0.891 -0.808 189 HB3 GLU 22 1HB GLU 22 8.733 1.647 0.431 190 HG2 GLU 22 2HG GLU 22 9.408 3.343 -0.955 191 HG3 GLU 22 1HG GLU 22 9.398 2.313 -2.387 192 H LEU 23 H LEU 23 8.603 -1.409 0.502 193 HA LEU 23 HA LEU 23 10.072 -1.221 2.952 194 HB2 LEU 23 2HB LEU 23 8.135 -3.038 1.614 195 HB3 LEU 23 1HB LEU 23 9.086 -3.757 2.913 196 HG LEU 23 HG LEU 23 7.074 -2.841 3.896 197 HD11 LEU 23 1HD1 LEU 23 8.088 -1.706 5.628 198 HD12 LEU 23 2HD1 LEU 23 9.011 -0.666 4.544 199 HD13 LEU 23 3HD1 LEU 23 9.531 -2.327 4.826 200 HD21 LEU 23 3HD2 LEU 23 7.328 -0.054 3.493 201 HD22 LEU 23 1HD2 LEU 23 6.065 -1.112 2.862 202 HD23 LEU 23 2HD2 LEU 23 7.510 -0.794 1.903 203 H GLN 24 H GLN 24 10.500 -3.185 0.031 204 HA GLN 24 HA GLN 24 12.605 -4.869 1.063 205 HB2 GLN 24 2HB GLN 24 11.382 -5.558 -0.869 206 HB3 GLN 24 1HB GLN 24 11.638 -4.010 -1.673 207 HG2 GLN 24 2HG GLN 24 14.004 -5.697 -0.903 208 HG3 GLN 24 1HG GLN 24 13.100 -6.077 -2.369 209 HE21 GLN 24 1HE2 GLN 24 12.882 -4.246 -3.992 210 HE22 GLN 24 2HE2 GLN 24 14.112 -3.078 -4.070 211 H LYS 25 H LYS 25 12.602 -1.847 -0.862 212 HA LYS 25 HA LYS 25 15.499 -1.654 -0.967 213 HB2 LYS 25 2HB LYS 25 15.019 0.184 -2.280 214 HB3 LYS 25 1HB LYS 25 13.418 -0.553 -2.304 215 HG2 LYS 25 2HG LYS 25 12.757 0.843 -0.364 216 HG3 LYS 25 1HG LYS 25 14.350 1.598 -0.376 217 HD2 LYS 25 2HD LYS 25 13.853 2.201 -2.831 218 HD3 LYS 25 1HD LYS 25 12.177 1.789 -2.464 219 HE2 LYS 25 2HE LYS 25 11.862 3.758 -1.380 220 HE3 LYS 25 1HE LYS 25 13.330 3.522 -0.412 221 HZ1 LYS 25 3HZ LYS 25 14.663 4.203 -2.292 222 HZ2 LYS 25 1HZ LYS 25 13.537 5.420 -1.934 223 HZ3 LYS 25 2HZ LYS 25 13.277 4.386 -3.257 224 H ASP 26 H ASP 26 12.992 -0.336 1.150 225 HA ASP 26 HA ASP 26 15.161 0.429 3.054 226 HB2 ASP 26 2HB ASP 26 13.389 2.111 1.548 227 HB3 ASP 26 1HB ASP 26 12.965 2.248 3.254 228 H GLY 27 H GLY 27 14.625 -1.442 4.346 229 HA2 GLY 27 2HA GLY 27 11.874 -1.937 5.177 230 HA3 GLY 27 1HA GLY 27 13.305 -2.762 5.794 231 H ARG 28 H ARG 28 14.253 0.271 6.139 232 HA ARG 28 HA ARG 28 13.487 0.371 8.980 233 HB2 ARG 28 2HB ARG 28 15.259 2.019 7.155 234 HB3 ARG 28 1HB ARG 28 15.077 2.348 8.878 235 HG2 ARG 28 2HG ARG 28 17.024 0.969 8.665 236 HG3 ARG 28 1HG ARG 28 15.745 -0.076 9.284 237 HD2 ARG 28 2HD ARG 28 15.515 -1.220 7.262 238 HD3 ARG 28 1HD ARG 28 16.141 0.141 6.309 239 HE ARG 28 HE ARG 28 18.335 -0.627 6.762 240 HH11 ARG 28 1HH2 ARG 28 16.622 -3.223 7.427 241 HH12 ARG 28 2HH2 ARG 28 17.483 -3.757 8.831 242 HH21 ARG 28 1HH1 ARG 28 19.203 -0.773 9.236 243 HH22 ARG 28 2HH1 ARG 28 18.944 -2.368 9.857 244 H ILE 29 H ILE 29 11.459 0.924 6.768 245 HA ILE 29 HA ILE 29 10.780 3.755 7.471 246 HB ILE 29 HB ILE 29 11.207 2.959 5.058 247 HG12 ILE 29 2HG1 ILE 29 8.602 4.270 5.884 248 HG13 ILE 29 1HG1 ILE 29 10.109 5.070 5.437 249 HG21 ILE 29 1HG2 ILE 29 9.492 0.934 5.786 250 HG22 ILE 29 2HG2 ILE 29 9.874 1.377 4.121 251 HG23 ILE 29 3HG2 ILE 29 8.422 2.015 4.894 252 HD11 ILE 29 3HD1 ILE 29 9.040 5.227 3.408 253 HD12 ILE 29 1HD1 ILE 29 8.049 3.799 3.702 254 HD13 ILE 29 2HD1 ILE 29 9.732 3.617 3.205 255 H SER 30 H SER 30 8.547 4.213 7.994 256 HA SER 30 HA SER 30 7.135 1.847 9.145 257 HB2 SER 30 2HB SER 30 7.065 4.818 9.745 258 HB3 SER 30 1HB SER 30 6.059 3.627 10.565 259 HG SER 30 HG SER 30 7.711 3.296 11.802 260 H ASN 31 H ASN 31 5.518 4.897 8.683 261 HA ASN 31 HA ASN 31 4.018 3.805 6.331 262 HB2 ASN 31 2HB ASN 31 1.946 4.657 7.559 263 HB3 ASN 31 1HB ASN 31 2.722 3.252 8.288 264 HD21 ASN 31 1HD2 ASN 31 1.232 4.627 10.074 265 HD22 ASN 31 2HD2 ASN 31 2.186 5.602 11.085 266 H VAL 32 H VAL 32 4.376 6.703 8.442 267 HA VAL 32 HA VAL 32 3.351 8.686 6.798 268 HB VAL 32 HB VAL 32 5.931 8.637 8.407 269 HG11 VAL 32 1HG1 VAL 32 4.448 10.843 7.018 270 HG12 VAL 32 2HG1 VAL 32 6.187 10.598 7.182 271 HG13 VAL 32 3HG1 VAL 32 5.247 11.189 8.552 272 HG21 VAL 32 3HG2 VAL 32 4.264 8.227 9.966 273 HG22 VAL 32 1HG2 VAL 32 3.033 9.069 9.025 274 HG23 VAL 32 2HG2 VAL 32 4.227 9.991 9.939 275 H GLU 33 H GLU 33 6.775 7.619 6.704 276 HA GLU 33 HA GLU 33 7.362 8.916 4.201 277 HB2 GLU 33 2HB GLU 33 8.684 7.502 6.232 278 HB3 GLU 33 1HB GLU 33 8.898 6.504 4.794 279 HG2 GLU 33 2HG GLU 33 10.683 7.940 4.513 280 HG3 GLU 33 1HG GLU 33 9.435 8.873 3.685 281 H LEU 34 H LEU 34 5.936 5.852 5.110 282 HA LEU 34 HA LEU 34 6.177 4.584 2.503 283 HB2 LEU 34 2HB LEU 34 5.491 3.906 5.138 284 HB3 LEU 34 1HB LEU 34 4.013 3.657 4.208 285 HG LEU 34 HG LEU 34 6.741 2.464 3.646 286 HD11 LEU 34 1HD1 LEU 34 4.979 0.408 3.716 287 HD12 LEU 34 2HD1 LEU 34 4.195 1.515 4.843 288 HD13 LEU 34 3HD1 LEU 34 5.848 0.978 5.141 289 HD21 LEU 34 3HD2 LEU 34 6.105 2.444 1.477 290 HD22 LEU 34 1HD2 LEU 34 4.492 3.031 1.880 291 HD23 LEU 34 2HD2 LEU 34 4.843 1.305 1.949 292 H SER 35 H SER 35 4.139 6.980 3.870 293 HA SER 35 HA SER 35 1.833 6.424 2.127 294 HB2 SER 35 2HB SER 35 0.799 8.096 3.419 295 HB3 SER 35 1HB SER 35 1.913 7.323 4.551 296 HG SER 35 HG SER 35 3.069 9.088 4.607 297 H LYS 36 H LYS 36 4.220 9.081 2.502 298 HA LYS 36 HA LYS 36 3.270 10.416 0.072 299 HB2 LYS 36 2HB LYS 36 5.532 10.821 2.042 300 HB3 LYS 36 1HB LYS 36 5.269 11.896 0.669 301 HG2 LYS 36 2HG LYS 36 3.605 12.960 1.750 302 HG3 LYS 36 1HG LYS 36 2.778 11.434 2.064 303 HD2 LYS 36 2HD LYS 36 3.243 12.171 4.230 304 HD3 LYS 36 1HD LYS 36 4.628 11.130 3.903 305 HE2 LYS 36 2HE LYS 36 5.593 13.134 4.764 306 HE3 LYS 36 1HE LYS 36 5.764 13.301 3.005 307 HZ1 LYS 36 3HZ LYS 36 3.324 14.230 3.283 308 HZ2 LYS 36 1HZ LYS 36 4.679 15.238 3.440 309 HZ3 LYS 36 2HZ LYS 36 3.904 14.636 4.826 310 H ARG 37 H ARG 37 5.765 8.088 0.846 311 HA ARG 37 HA ARG 37 7.480 8.646 -1.417 312 HB2 ARG 37 2HB ARG 37 7.069 6.357 0.503 313 HB3 ARG 37 1HB ARG 37 8.261 6.260 -0.793 314 HG2 ARG 37 2HG ARG 37 9.260 8.401 0.043 315 HG3 ARG 37 1HG ARG 37 8.147 8.337 1.409 316 HD2 ARG 37 2HD ARG 37 9.926 7.220 2.380 317 HD3 ARG 37 1HD ARG 37 9.190 5.834 1.552 318 HE ARG 37 HE ARG 37 10.718 6.642 -0.438 319 HH11 ARG 37 1HH1 ARG 37 11.570 5.327 2.454 320 HH12 ARG 37 2HH1 ARG 37 13.211 5.881 2.461 321 HH21 ARG 37 1HH2 ARG 37 12.779 8.010 -0.242 322 HH22 ARG 37 2HH2 ARG 37 13.895 7.401 0.935 323 H VAL 38 H VAL 38 4.472 7.066 -1.092 324 HA VAL 38 HA VAL 38 4.845 5.684 -3.717 325 HB VAL 38 HB VAL 38 2.601 4.593 -2.798 326 HG11 VAL 38 1HG1 VAL 38 5.397 3.986 -2.620 327 HG12 VAL 38 2HG1 VAL 38 4.038 2.869 -2.739 328 HG13 VAL 38 3HG1 VAL 38 4.598 3.414 -1.158 329 HG21 VAL 38 3HG2 VAL 38 2.523 4.516 -0.374 330 HG22 VAL 38 1HG2 VAL 38 2.513 6.206 -0.876 331 HG23 VAL 38 2HG2 VAL 38 3.995 5.479 -0.262 332 H GLY 39 H GLY 39 3.430 8.379 -2.267 333 HA2 GLY 39 2HA GLY 39 2.315 10.098 -3.508 334 HA3 GLY 39 1HA GLY 39 1.888 8.904 -4.730 335 H LEU 40 H LEU 40 1.339 8.729 -1.207 336 HA LEU 40 HA LEU 40 -1.565 9.181 -1.600 337 HB2 LEU 40 2HB LEU 40 -1.891 6.900 -0.363 338 HB3 LEU 40 1HB LEU 40 -1.547 6.875 -2.093 339 HG LEU 40 HG LEU 40 0.897 6.961 -0.549 340 HD11 LEU 40 1HD1 LEU 40 0.455 5.506 1.111 341 HD12 LEU 40 2HD1 LEU 40 0.044 4.291 -0.097 342 HD13 LEU 40 3HD1 LEU 40 -1.210 5.344 0.554 343 HD21 LEU 40 3HD2 LEU 40 1.150 6.192 -2.720 344 HD22 LEU 40 1HD2 LEU 40 -0.378 5.315 -2.696 345 HD23 LEU 40 2HD2 LEU 40 1.028 4.657 -1.864 346 H SER 41 H SER 41 -2.712 9.139 0.527 347 HA SER 41 HA SER 41 -1.175 10.467 2.608 348 HB2 SER 41 2HB SER 41 -3.976 9.517 2.135 349 HB3 SER 41 1HB SER 41 -3.497 9.893 3.789 350 HG SER 41 HG SER 41 -3.497 11.935 3.299 351 HA PRO 42 HA PRO 42 0.054 6.964 4.778 352 HB2 PRO 42 2HB PRO 42 -0.047 7.818 7.370 353 HB3 PRO 42 1HB PRO 42 1.180 8.365 6.212 354 HG2 PRO 42 2HG PRO 42 -1.282 9.745 7.151 355 HG3 PRO 42 1HG PRO 42 0.311 10.414 6.766 356 HD2 PRO 42 2HD PRO 42 -1.866 10.530 5.086 357 HD3 PRO 42 1HD PRO 42 -0.176 10.616 4.544 358 H THR 43 H THR 43 -2.732 8.492 6.453 359 HA THR 43 HA THR 43 -3.820 6.429 7.886 360 HB THR 43 HB THR 43 -4.905 8.600 6.152 361 HG1 THR 43 1HG THR 43 -5.623 9.304 8.092 362 HG21 THR 43 3HG2 THR 43 -6.564 6.304 7.214 363 HG22 THR 43 1HG2 THR 43 -6.509 6.925 5.564 364 HG23 THR 43 2HG2 THR 43 -7.256 7.883 6.843 365 HA PRO 44 HA PRO 44 -5.593 4.276 4.018 366 HB2 PRO 44 2HB PRO 44 -4.954 5.286 1.553 367 HB3 PRO 44 1HB PRO 44 -6.366 5.832 2.479 368 HG2 PRO 44 2HG PRO 44 -3.717 7.136 2.118 369 HG3 PRO 44 1HG PRO 44 -5.326 7.863 2.250 370 HD2 PRO 44 2HD PRO 44 -3.484 7.766 4.301 371 HD3 PRO 44 1HD PRO 44 -5.238 7.933 4.526 372 H CYS 45 H CYS 45 -2.403 5.794 3.350 373 HA CYS 45 HA CYS 45 -1.074 3.901 1.854 374 HB2 CYS 45 2HB CYS 45 -0.052 5.921 2.842 375 HB3 CYS 45 1HB CYS 45 -0.156 5.191 4.445 376 HG CYS 45 HG CYS 45 1.457 3.242 3.362 377 H LEU 46 H LEU 46 -1.655 3.717 5.360 378 HA LEU 46 HA LEU 46 -0.584 1.112 5.783 379 HB2 LEU 46 2HB LEU 46 -2.908 2.596 7.067 380 HB3 LEU 46 1HB LEU 46 -2.073 1.212 7.778 381 HG LEU 46 HG LEU 46 -0.062 3.040 7.019 382 HD11 LEU 46 1HD1 LEU 46 -1.592 4.620 8.926 383 HD12 LEU 46 2HD1 LEU 46 -2.438 4.461 7.385 384 HD13 LEU 46 3HD1 LEU 46 -0.805 5.127 7.429 385 HD21 LEU 46 3HD2 LEU 46 -1.219 2.594 9.780 386 HD22 LEU 46 1HD2 LEU 46 0.443 3.021 9.374 387 HD23 LEU 46 2HD2 LEU 46 -0.183 1.424 8.964 388 H GLU 47 H GLU 47 -3.934 2.189 5.150 389 HA GLU 47 HA GLU 47 -5.285 -0.220 4.953 390 HB2 GLU 47 2HB GLU 47 -5.472 2.468 3.911 391 HB3 GLU 47 1HB GLU 47 -6.019 1.321 2.690 392 HG2 GLU 47 2HG GLU 47 -7.023 0.595 5.316 393 HG3 GLU 47 1HG GLU 47 -7.489 2.244 4.896 394 H ARG 48 H ARG 48 -3.049 1.218 2.607 395 HA ARG 48 HA ARG 48 -3.357 -0.834 0.583 396 HB2 ARG 48 2HB ARG 48 -1.023 1.029 1.124 397 HB3 ARG 48 1HB ARG 48 -1.471 0.318 -0.428 398 HG2 ARG 48 2HG ARG 48 -3.482 2.004 1.034 399 HG3 ARG 48 1HG ARG 48 -2.184 2.798 0.144 400 HD2 ARG 48 2HD ARG 48 -3.411 2.515 -1.740 401 HD3 ARG 48 1HD ARG 48 -3.174 0.765 -1.566 402 HE ARG 48 HE ARG 48 -5.245 0.688 -0.226 403 HH11 ARG 48 1HH1 ARG 48 -5.315 3.540 0.672 404 HH12 ARG 48 2HH1 ARG 48 -6.564 4.205 -0.327 405 HH21 ARG 48 1HH2 ARG 48 -6.502 1.591 -2.604 406 HH22 ARG 48 2HH2 ARG 48 -7.236 3.102 -2.184 407 H VAL 49 H VAL 49 -0.712 -0.105 2.885 408 HA VAL 49 HA VAL 49 0.817 -2.457 2.488 409 HB VAL 49 HB VAL 49 0.460 -0.305 4.497 410 HG11 VAL 49 1HG1 VAL 49 1.788 -1.454 6.234 411 HG12 VAL 49 2HG1 VAL 49 1.765 -2.939 5.281 412 HG13 VAL 49 3HG1 VAL 49 0.266 -2.300 5.957 413 HG21 VAL 49 3HG2 VAL 49 2.900 -1.765 3.432 414 HG22 VAL 49 1HG2 VAL 49 2.903 -0.241 4.320 415 HG23 VAL 49 2HG2 VAL 49 2.189 -0.320 2.711 416 H ARG 50 H ARG 50 -1.938 -1.824 4.645 417 HA ARG 50 HA ARG 50 -1.975 -4.189 6.146 418 HB2 ARG 50 2HB ARG 50 -4.262 -2.606 4.941 419 HB3 ARG 50 1HB ARG 50 -4.401 -3.703 6.317 420 HG2 ARG 50 2HG ARG 50 -2.353 -1.516 6.419 421 HG3 ARG 50 1HG ARG 50 -4.045 -1.109 6.712 422 HD2 ARG 50 2HD ARG 50 -3.897 -3.252 8.304 423 HD3 ARG 50 1HD ARG 50 -2.185 -2.782 8.344 424 HE ARG 50 HE ARG 50 -2.810 -0.764 9.442 425 HH11 ARG 50 1HH1 ARG 50 -5.299 -2.853 9.767 426 HH12 ARG 50 2HH1 ARG 50 -6.569 -1.677 9.821 427 HH21 ARG 50 1HH2 ARG 50 -4.543 0.947 8.807 428 HH22 ARG 50 2HH2 ARG 50 -6.142 0.474 9.277 429 H ARG 51 H ARG 51 -3.488 -3.578 2.984 430 HA ARG 51 HA ARG 51 -4.589 -6.133 2.519 431 HB2 ARG 51 2HB ARG 51 -5.142 -4.580 0.890 432 HB3 ARG 51 1HB ARG 51 -3.533 -3.857 0.898 433 HG2 ARG 51 2HG ARG 51 -4.105 -5.157 -1.208 434 HG3 ARG 51 1HG ARG 51 -2.623 -5.667 -0.400 435 HD2 ARG 51 2HD ARG 51 -3.526 -7.766 -0.508 436 HD3 ARG 51 1HD ARG 51 -4.553 -7.232 0.837 437 HE ARG 51 HE ARG 51 -6.090 -6.325 -1.064 438 HH11 ARG 51 1HH2 ARG 51 -6.238 -9.313 -0.398 439 HH12 ARG 51 2HH2 ARG 51 -6.218 -10.003 -1.987 440 HH21 ARG 51 1HH1 ARG 51 -5.101 -7.101 -3.520 441 HH22 ARG 51 2HH1 ARG 51 -5.575 -8.751 -3.753 442 H LEU 52 H LEU 52 -1.267 -4.948 2.122 443 HA LEU 52 HA LEU 52 -0.216 -7.329 0.880 444 HB2 LEU 52 2HB LEU 52 0.988 -5.082 2.515 445 HB3 LEU 52 1HB LEU 52 1.954 -6.299 1.685 446 HG LEU 52 HG LEU 52 -0.089 -4.535 0.313 447 HD11 LEU 52 1HD1 LEU 52 2.244 -3.684 -0.679 448 HD12 LEU 52 2HD1 LEU 52 2.815 -4.185 0.913 449 HD13 LEU 52 3HD1 LEU 52 1.544 -2.971 0.774 450 HD21 LEU 52 3HD2 LEU 52 1.786 -6.710 -0.521 451 HD22 LEU 52 1HD2 LEU 52 1.525 -5.371 -1.637 452 HD23 LEU 52 2HD2 LEU 52 0.159 -6.350 -1.100 453 H GLU 53 H GLU 53 -1.013 -6.475 4.166 454 HA GLU 53 HA GLU 53 0.651 -8.512 5.438 455 HB2 GLU 53 2HB GLU 53 -1.534 -6.593 6.201 456 HB3 GLU 53 1HB GLU 53 -1.091 -7.874 7.328 457 HG2 GLU 53 2HG GLU 53 1.236 -7.127 7.313 458 HG3 GLU 53 1HG GLU 53 0.856 -5.895 6.109 459 H ARG 54 H ARG 54 -2.872 -8.173 4.843 460 HA ARG 54 HA ARG 54 -3.793 -10.613 5.837 461 HB2 ARG 54 2HB ARG 54 -4.545 -9.111 3.305 462 HB3 ARG 54 1HB ARG 54 -5.547 -10.353 4.057 463 HG2 ARG 54 2HG ARG 54 -4.637 -7.799 5.417 464 HG3 ARG 54 1HG ARG 54 -6.241 -8.064 4.732 465 HD2 ARG 54 2HD ARG 54 -5.823 -10.300 6.370 466 HD3 ARG 54 1HD ARG 54 -5.195 -8.930 7.308 467 HE ARG 54 HE ARG 54 -7.520 -7.897 6.324 468 HH11 ARG 54 1HH2 ARG 54 -6.864 -9.407 9.075 469 HH12 ARG 54 2HH2 ARG 54 -8.362 -10.259 9.257 470 HH21 ARG 54 1HH1 ARG 54 -9.416 -9.635 6.013 471 HH22 ARG 54 2HH1 ARG 54 -9.806 -10.389 7.523 472 H GLN 55 H GLN 55 -2.242 -9.982 2.694 473 HA GLN 55 HA GLN 55 -2.446 -12.809 1.894 474 HB2 GLN 55 2HB GLN 55 -1.401 -11.964 -0.152 475 HB3 GLN 55 1HB GLN 55 -2.678 -10.853 0.346 476 HG2 GLN 55 2HG GLN 55 -0.950 -9.455 1.494 477 HG3 GLN 55 1HG GLN 55 0.294 -10.523 0.844 478 HE21 GLN 55 1HE2 GLN 55 -2.679 -9.395 -0.821 479 HE22 GLN 55 2HE2 GLN 55 -1.859 -8.578 -2.063 480 H GLY 56 H GLY 56 -0.824 -11.958 4.321 481 HA2 GLY 56 2HA GLY 56 1.315 -12.325 5.236 482 HA3 GLY 56 1HA GLY 56 1.272 -13.772 4.228 483 H PHE 57 H PHE 57 2.072 -10.299 4.116 484 HA PHE 57 HA PHE 57 4.377 -10.945 2.364 485 HB2 PHE 57 2HB PHE 57 2.220 -10.503 1.030 486 HB3 PHE 57 1HB PHE 57 2.346 -8.837 1.593 487 HD1 PHE 57 2HD PHE 57 5.626 -9.849 1.514 488 HD2 PHE 57 1HD PHE 57 2.411 -8.972 -1.199 489 HE1 PHE 57 2HE PHE 57 7.269 -9.369 -0.279 490 HE2 PHE 57 1HE PHE 57 4.056 -8.493 -2.991 491 HZ PHE 57 HZ PHE 57 6.484 -8.692 -2.532 492 H ILE 58 H ILE 58 3.440 -9.554 5.088 493 HA ILE 58 HA ILE 58 5.415 -7.324 4.842 494 HB ILE 58 HB ILE 58 2.773 -7.134 6.297 495 HG12 ILE 58 2HG1 ILE 58 2.486 -7.540 3.822 496 HG13 ILE 58 1HG1 ILE 58 1.882 -5.975 4.364 497 HG21 ILE 58 1HG2 ILE 58 3.249 -4.705 6.104 498 HG22 ILE 58 2HG2 ILE 58 4.778 -5.084 5.309 499 HG23 ILE 58 3HG2 ILE 58 4.518 -5.551 6.991 500 HD11 ILE 58 3HD1 ILE 58 3.376 -4.854 3.093 501 HD12 ILE 58 1HD1 ILE 58 3.710 -6.396 2.302 502 HD13 ILE 58 2HD1 ILE 58 4.710 -5.863 3.654 503 H GLN 59 H GLN 59 5.327 -10.114 6.106 504 HA GLN 59 HA GLN 59 5.313 -9.725 8.982 505 HB2 GLN 59 2HB GLN 59 6.308 -12.016 8.917 506 HB3 GLN 59 1HB GLN 59 4.890 -11.884 7.876 507 HG2 GLN 59 2HG GLN 59 6.951 -11.110 6.199 508 HG3 GLN 59 1HG GLN 59 7.688 -12.396 7.158 509 HE21 GLN 59 1HE2 GLN 59 7.622 -14.083 5.583 510 HE22 GLN 59 2HE2 GLN 59 6.175 -14.690 4.934 511 H GLY 60 H GLY 60 7.448 -8.802 6.552 512 HA2 GLY 60 2HA GLY 60 9.613 -8.383 8.556 513 HA3 GLY 60 1HA GLY 60 10.009 -9.053 6.971 514 H TYR 61 H TYR 61 8.145 -7.489 5.455 515 HA TYR 61 HA TYR 61 9.651 -5.153 4.875 516 HB2 TYR 61 2HB TYR 61 6.709 -5.781 4.450 517 HB3 TYR 61 1HB TYR 61 7.630 -4.575 3.558 518 HD1 TYR 61 2HD TYR 61 9.600 -5.318 2.142 519 HD2 TYR 61 1HD TYR 61 6.813 -8.087 3.875 520 HE1 TYR 61 2HE TYR 61 10.367 -7.073 0.568 521 HE2 TYR 61 1HE TYR 61 7.579 -9.842 2.302 522 HH TYR 61 HH TYR 61 9.573 -10.360 0.955 523 H THR 62 H THR 62 6.526 -3.998 5.253 524 HA THR 62 HA THR 62 7.392 -2.293 7.502 525 HB THR 62 HB THR 62 6.269 -1.518 5.359 526 HG1 THR 62 1HG THR 62 6.320 -0.155 7.100 527 HG21 THR 62 3HG2 THR 62 3.939 -2.893 6.703 528 HG22 THR 62 1HG2 THR 62 4.556 -3.170 5.074 529 HG23 THR 62 2HG2 THR 62 3.733 -1.661 5.460 530 H ALA 63 H ALA 63 6.772 -5.152 7.944 531 HA ALA 63 HA ALA 63 4.370 -5.929 8.957 532 HB1 ALA 63 1HB ALA 63 5.870 -7.475 9.673 533 HB2 ALA 63 2HB ALA 63 6.168 -6.434 11.065 534 HB3 ALA 63 3HB ALA 63 7.181 -6.296 9.628 535 H LEU 64 H LEU 64 6.442 -3.400 10.265 536 HA LEU 64 HA LEU 64 4.860 -2.897 12.662 537 HB2 LEU 64 2HB LEU 64 6.359 -0.885 12.718 538 HB3 LEU 64 1HB LEU 64 7.257 -2.382 12.474 539 HG LEU 64 HG LEU 64 6.384 -1.294 9.920 540 HD11 LEU 64 1HD1 LEU 64 8.170 0.633 10.175 541 HD12 LEU 64 2HD1 LEU 64 7.744 0.537 11.884 542 HD13 LEU 64 3HD1 LEU 64 6.505 0.909 10.686 543 HD21 LEU 64 3HD2 LEU 64 8.166 -2.803 9.844 544 HD22 LEU 64 1HD2 LEU 64 8.932 -2.132 11.285 545 HD23 LEU 64 2HD2 LEU 64 9.022 -1.264 9.753 546 H LEU 65 H LEU 65 5.061 0.103 11.975 547 HA LEU 65 HA LEU 65 3.619 1.752 11.112 548 HB2 LEU 65 2HB LEU 65 4.250 1.323 8.943 549 HB3 LEU 65 1HB LEU 65 3.968 -0.407 9.105 550 HG LEU 65 HG LEU 65 1.655 1.514 9.011 551 HD11 LEU 65 1HD1 LEU 65 1.886 0.433 6.464 552 HD12 LEU 65 2HD1 LEU 65 3.545 0.872 6.874 553 HD13 LEU 65 3HD1 LEU 65 2.274 2.094 6.913 554 HD21 LEU 65 3HD2 LEU 65 0.897 -0.744 7.730 555 HD22 LEU 65 1HD2 LEU 65 0.765 -0.561 9.478 556 HD23 LEU 65 2HD2 LEU 65 2.142 -1.415 8.783 557 H ASN 66 H ASN 66 2.561 -0.942 12.567 558 HA ASN 66 HA ASN 66 -0.339 -0.369 12.058 559 HB2 ASN 66 2HB ASN 66 0.942 -2.669 11.596 560 HB3 ASN 66 1HB ASN 66 0.653 -2.895 13.323 561 HD21 ASN 66 1HD2 ASN 66 -0.746 -3.376 10.289 562 HD22 ASN 66 2HD2 ASN 66 -2.367 -3.513 10.773 Start of MODEL 10 1 H1 MET 1 1HT MET 1 20.754 -9.974 2.239 2 H2 MET 1 2HT MET 1 19.182 -10.035 1.596 3 H3 MET 1 3HT MET 1 20.092 -8.604 1.488 4 HA MET 1 HA MET 1 21.208 -9.282 -0.330 5 HB2 MET 1 2HB MET 1 21.395 -11.657 1.449 6 HB3 MET 1 1HB MET 1 21.656 -11.960 -0.270 7 HG2 MET 1 2HG MET 1 23.100 -9.630 0.210 8 HG3 MET 1 1HG MET 1 23.385 -10.602 1.653 9 HE1 MET 1 2HE MET 1 22.978 -13.645 0.182 10 HE2 MET 1 3HE MET 1 23.804 -13.029 1.612 11 HE3 MET 1 1HE MET 1 24.708 -13.917 0.380 12 H VAL 2 H VAL 2 20.775 -10.728 -2.311 13 HA VAL 2 HA VAL 2 19.183 -11.419 -3.918 14 HB VAL 2 HB VAL 2 18.102 -12.807 -1.443 15 HG11 VAL 2 1HG1 VAL 2 17.352 -14.511 -3.032 16 HG12 VAL 2 2HG1 VAL 2 18.068 -13.611 -4.369 17 HG13 VAL 2 3HG1 VAL 2 16.690 -12.943 -3.493 18 HG21 VAL 2 3HG2 VAL 2 20.649 -12.965 -1.994 19 HG22 VAL 2 1HG2 VAL 2 20.127 -13.952 -3.359 20 HG23 VAL 2 2HG2 VAL 2 19.756 -14.459 -1.711 21 H ASP 3 H ASP 3 18.212 -9.268 -4.149 22 HA ASP 3 HA ASP 3 15.967 -8.454 -2.476 23 HB2 ASP 3 2HB ASP 3 17.371 -7.540 -4.970 24 HB3 ASP 3 1HB ASP 3 15.809 -6.829 -4.564 25 H SER 4 H SER 4 14.672 -10.500 -2.764 26 HA SER 4 HA SER 4 13.381 -10.733 -5.448 27 HB2 SER 4 2HB SER 4 12.624 -12.938 -4.419 28 HB3 SER 4 1HB SER 4 14.368 -12.764 -4.606 29 HG SER 4 HG SER 4 12.989 -13.205 -2.390 30 H LYS 5 H LYS 5 11.930 -8.892 -5.126 31 HA LYS 5 HA LYS 5 10.100 -8.828 -2.847 32 HB2 LYS 5 2HB LYS 5 10.628 -7.312 -5.374 33 HB3 LYS 5 1HB LYS 5 9.054 -7.099 -4.606 34 HG2 LYS 5 2HG LYS 5 9.933 -5.888 -2.909 35 HG3 LYS 5 1HG LYS 5 11.268 -7.020 -2.690 36 HD2 LYS 5 2HD LYS 5 11.266 -5.233 -5.099 37 HD3 LYS 5 1HD LYS 5 11.740 -4.561 -3.538 38 HE2 LYS 5 2HE LYS 5 13.179 -6.869 -3.503 39 HE3 LYS 5 1HE LYS 5 13.159 -6.531 -5.246 40 HZ1 LYS 5 3HZ LYS 5 14.840 -5.145 -4.656 41 HZ2 LYS 5 1HZ LYS 5 14.290 -4.956 -3.062 42 HZ3 LYS 5 2HZ LYS 5 13.549 -4.092 -4.324 43 H LYS 6 H LYS 6 9.413 -11.187 -3.326 44 HA LYS 6 HA LYS 6 7.867 -11.879 -5.626 45 HB2 LYS 6 2HB LYS 6 7.864 -12.870 -2.760 46 HB3 LYS 6 1HB LYS 6 7.087 -13.714 -4.100 47 HG2 LYS 6 2HG LYS 6 9.848 -12.965 -4.707 48 HG3 LYS 6 1HG LYS 6 9.732 -14.024 -3.302 49 HD2 LYS 6 2HD LYS 6 8.459 -15.659 -4.572 50 HD3 LYS 6 1HD LYS 6 8.391 -14.576 -5.964 51 HE2 LYS 6 2HE LYS 6 10.968 -14.626 -5.927 52 HE3 LYS 6 1HE LYS 6 10.802 -16.017 -4.837 53 HZ1 LYS 6 3HZ LYS 6 10.829 -16.815 -7.085 54 HZ2 LYS 6 1HZ LYS 6 9.617 -15.723 -7.547 55 HZ3 LYS 6 2HZ LYS 6 9.252 -16.993 -6.480 56 H ARG 7 H ARG 7 6.213 -12.052 -2.560 57 HA ARG 7 HA ARG 7 4.054 -11.299 -1.950 58 HB2 ARG 7 2HB ARG 7 4.571 -8.901 -3.694 59 HB3 ARG 7 1HB ARG 7 3.892 -8.966 -2.067 60 HG2 ARG 7 2HG ARG 7 6.792 -9.360 -2.848 61 HG3 ARG 7 1HG ARG 7 6.116 -8.053 -1.877 62 HD2 ARG 7 2HD ARG 7 6.282 -9.300 0.010 63 HD3 ARG 7 1HD ARG 7 5.411 -10.646 -0.752 64 HE ARG 7 HE ARG 7 7.715 -11.054 -1.940 65 HH11 ARG 7 1HH2 ARG 7 8.231 -8.850 0.452 66 HH12 ARG 7 2HH2 ARG 7 9.310 -9.819 1.398 67 HH21 ARG 7 1HH1 ARG 7 8.693 -12.725 -0.390 68 HH22 ARG 7 2HH1 ARG 7 9.572 -12.013 0.921 69 HA PRO 8 HA PRO 8 1.215 -11.839 -5.289 70 HB2 PRO 8 2HB PRO 8 -0.384 -9.637 -5.588 71 HB3 PRO 8 1HB PRO 8 -0.528 -10.762 -4.226 72 HG2 PRO 8 2HG PRO 8 0.726 -8.074 -4.336 73 HG3 PRO 8 1HG PRO 8 -0.149 -8.861 -3.015 74 HD2 PRO 8 2HD PRO 8 2.595 -8.641 -3.177 75 HD3 PRO 8 1HD PRO 8 1.740 -9.851 -2.202 76 H GLY 9 H GLY 9 3.579 -11.275 -6.395 77 HA2 GLY 9 2HA GLY 9 4.123 -9.129 -8.002 78 HA3 GLY 9 1HA GLY 9 4.407 -10.779 -8.556 79 H LYS 10 H LYS 10 1.632 -11.579 -8.632 80 HA LYS 10 HA LYS 10 0.906 -10.768 -11.268 81 HB2 LYS 10 2HB LYS 10 0.223 -12.774 -9.702 82 HB3 LYS 10 1HB LYS 10 -1.082 -11.698 -9.206 83 HG2 LYS 10 2HG LYS 10 -2.223 -12.218 -11.073 84 HG3 LYS 10 1HG LYS 10 -0.897 -11.592 -12.054 85 HD2 LYS 10 2HD LYS 10 0.261 -13.797 -11.808 86 HD3 LYS 10 1HD LYS 10 -1.163 -14.408 -10.965 87 HE2 LYS 10 2HE LYS 10 -1.555 -15.076 -13.199 88 HE3 LYS 10 1HE LYS 10 -2.455 -13.550 -13.096 89 HZ1 LYS 10 3HZ LYS 10 -0.356 -12.423 -13.798 90 HZ2 LYS 10 1HZ LYS 10 -1.051 -13.404 -14.995 91 HZ3 LYS 10 2HZ LYS 10 0.301 -13.955 -14.128 92 H ASP 11 H ASP 11 -2.019 -10.334 -10.249 93 HA ASP 11 HA ASP 11 -2.282 -7.586 -10.744 94 HB2 ASP 11 2HB ASP 11 -3.834 -9.804 -9.710 95 HB3 ASP 11 1HB ASP 11 -4.255 -8.318 -8.857 96 H LEU 12 H LEU 12 -0.634 -6.395 -9.607 97 HA LEU 12 HA LEU 12 -0.940 -6.313 -6.624 98 HB2 LEU 12 2HB LEU 12 1.267 -6.667 -8.343 99 HB3 LEU 12 1HB LEU 12 1.421 -5.025 -7.714 100 HG LEU 12 HG LEU 12 1.105 -7.563 -6.086 101 HD11 LEU 12 1HD1 LEU 12 3.345 -7.366 -5.565 102 HD12 LEU 12 2HD1 LEU 12 3.346 -5.614 -5.772 103 HD13 LEU 12 3HD1 LEU 12 3.373 -6.669 -7.185 104 HD21 LEU 12 3HD2 LEU 12 0.770 -4.675 -5.433 105 HD22 LEU 12 1HD2 LEU 12 1.655 -5.657 -4.267 106 HD23 LEU 12 2HD2 LEU 12 0.003 -6.086 -4.708 107 H ASP 13 H ASP 13 -2.238 -4.577 -6.106 108 HA ASP 13 HA ASP 13 -2.933 -2.356 -7.621 109 HB2 ASP 13 2HB ASP 13 -3.165 -3.262 -4.980 110 HB3 ASP 13 1HB ASP 13 -2.409 -1.674 -4.831 111 H ARG 14 H ARG 14 -2.074 -0.212 -7.814 112 HA ARG 14 HA ARG 14 0.736 -0.016 -8.183 113 HB2 ARG 14 2HB ARG 14 -1.326 2.158 -7.686 114 HB3 ARG 14 1HB ARG 14 0.219 2.367 -8.510 115 HG2 ARG 14 2HG ARG 14 -2.112 0.659 -9.430 116 HG3 ARG 14 1HG ARG 14 -1.521 2.136 -10.190 117 HD2 ARG 14 2HD ARG 14 0.775 0.756 -10.241 118 HD3 ARG 14 1HD ARG 14 -0.352 -0.615 -10.246 119 HE ARG 14 HE ARG 14 -1.281 0.198 -12.322 120 HH11 ARG 14 1HH2 ARG 14 0.176 2.880 -10.936 121 HH12 ARG 14 2HH2 ARG 14 0.870 3.485 -12.403 122 HH21 ARG 14 1HH1 ARG 14 0.060 0.672 -14.261 123 HH22 ARG 14 2HH1 ARG 14 0.805 2.235 -14.285 124 H ILE 15 H ILE 15 -1.300 0.640 -5.386 125 HA ILE 15 HA ILE 15 0.792 2.043 -3.894 126 HB ILE 15 HB ILE 15 -1.731 0.793 -2.809 127 HG12 ILE 15 2HG1 ILE 15 -2.523 1.879 -4.782 128 HG13 ILE 15 1HG1 ILE 15 -2.783 3.043 -3.485 129 HG21 ILE 15 1HG2 ILE 15 -1.331 3.427 -1.906 130 HG22 ILE 15 2HG2 ILE 15 0.271 2.688 -1.911 131 HG23 ILE 15 3HG2 ILE 15 -1.040 1.944 -0.999 132 HD11 ILE 15 3HD1 ILE 15 -0.365 3.862 -4.127 133 HD12 ILE 15 1HD1 ILE 15 -1.750 4.380 -5.088 134 HD13 ILE 15 2HD1 ILE 15 -0.719 3.070 -5.663 135 H ASP 16 H ASP 16 -0.348 -1.273 -4.189 136 HA ASP 16 HA ASP 16 1.098 -2.166 -1.786 137 HB2 ASP 16 2HB ASP 16 -0.389 -3.550 -4.044 138 HB3 ASP 16 1HB ASP 16 0.290 -4.403 -2.659 139 H ARG 17 H ARG 17 1.609 -2.098 -5.287 140 HA ARG 17 HA ARG 17 3.913 -3.862 -5.227 141 HB2 ARG 17 2HB ARG 17 3.837 -3.583 -7.525 142 HB3 ARG 17 1HB ARG 17 2.203 -3.061 -7.126 143 HG2 ARG 17 2HG ARG 17 2.868 -0.732 -7.165 144 HG3 ARG 17 1HG ARG 17 4.566 -1.174 -7.344 145 HD2 ARG 17 2HD ARG 17 2.896 -2.418 -9.397 146 HD3 ARG 17 1HD ARG 17 2.819 -0.645 -9.441 147 HE ARG 17 HE ARG 17 5.273 -0.607 -9.622 148 HH11 ARG 17 1HH1 ARG 17 3.978 -2.695 -11.621 149 HH12 ARG 17 2HH1 ARG 17 5.208 -3.913 -11.578 150 HH21 ARG 17 1HH2 ARG 17 6.776 -2.601 -8.776 151 HH22 ARG 17 2HH2 ARG 17 6.795 -3.859 -9.967 152 H ASN 18 H ASN 18 3.501 -0.338 -5.471 153 HA ASN 18 HA ASN 18 6.338 0.224 -5.443 154 HB2 ASN 18 2HB ASN 18 5.516 2.539 -5.002 155 HB3 ASN 18 1HB ASN 18 4.624 1.770 -6.314 156 HD21 ASN 18 1HD2 ASN 18 3.410 3.890 -4.910 157 HD22 ASN 18 2HD2 ASN 18 2.140 3.282 -3.963 158 H ILE 19 H ILE 19 3.850 -0.197 -2.973 159 HA ILE 19 HA ILE 19 5.433 0.754 -0.748 160 HB ILE 19 HB ILE 19 2.968 -0.916 -1.188 161 HG12 ILE 19 2HG1 ILE 19 3.559 1.649 0.324 162 HG13 ILE 19 1HG1 ILE 19 2.799 1.535 -1.263 163 HG21 ILE 19 1HG2 ILE 19 3.085 -0.538 1.556 164 HG22 ILE 19 2HG2 ILE 19 4.733 -1.016 1.150 165 HG23 ILE 19 3HG2 ILE 19 3.380 -2.063 0.721 166 HD11 ILE 19 3HD1 ILE 19 0.867 1.588 -0.042 167 HD12 ILE 19 1HD1 ILE 19 1.659 1.004 1.422 168 HD13 ILE 19 2HD1 ILE 19 1.195 -0.135 0.156 169 H LEU 20 H LEU 20 4.936 -2.416 -2.296 170 HA LEU 20 HA LEU 20 6.470 -3.927 -0.365 171 HB2 LEU 20 2HB LEU 20 5.506 -4.281 -3.205 172 HB3 LEU 20 1HB LEU 20 6.553 -5.493 -2.467 173 HG LEU 20 HG LEU 20 4.063 -4.513 -1.071 174 HD11 LEU 20 1HD1 LEU 20 2.745 -5.632 -2.509 175 HD12 LEU 20 2HD1 LEU 20 3.695 -7.097 -2.261 176 HD13 LEU 20 3HD1 LEU 20 4.150 -5.954 -3.524 177 HD21 LEU 20 3HD2 LEU 20 6.200 -6.304 -0.462 178 HD22 LEU 20 1HD2 LEU 20 4.740 -7.270 -0.671 179 HD23 LEU 20 2HD2 LEU 20 4.768 -5.959 0.507 180 H ASN 21 H ASN 21 7.259 -2.330 -3.461 181 HA ASN 21 HA ASN 21 10.009 -3.207 -3.557 182 HB2 ASN 21 2HB ASN 21 8.426 -2.177 -5.354 183 HB3 ASN 21 1HB ASN 21 8.910 -0.623 -4.674 184 HD21 ASN 21 1HD2 ASN 21 9.686 -0.951 -7.262 185 HD22 ASN 21 2HD2 ASN 21 11.339 -1.322 -7.376 186 H GLU 22 H GLU 22 8.302 -0.651 -1.886 187 HA GLU 22 HA GLU 22 10.767 0.785 -1.158 188 HB2 GLU 22 2HB GLU 22 7.816 1.053 -0.535 189 HB3 GLU 22 1HB GLU 22 9.031 2.126 0.162 190 HG2 GLU 22 2HG GLU 22 8.986 1.688 -2.809 191 HG3 GLU 22 1HG GLU 22 7.832 2.805 -2.080 192 H LEU 23 H LEU 23 8.321 -1.286 0.418 193 HA LEU 23 HA LEU 23 9.498 -1.130 3.056 194 HB2 LEU 23 2HB LEU 23 7.299 -2.387 1.669 195 HB3 LEU 23 1HB LEU 23 8.114 -3.585 2.672 196 HG LEU 23 HG LEU 23 6.916 -0.949 3.543 197 HD11 LEU 23 1HD1 LEU 23 5.998 -2.757 5.276 198 HD12 LEU 23 2HD1 LEU 23 6.342 -3.856 3.941 199 HD13 LEU 23 3HD1 LEU 23 5.221 -2.514 3.712 200 HD21 LEU 23 3HD2 LEU 23 9.087 -2.592 4.743 201 HD22 LEU 23 1HD2 LEU 23 7.832 -2.030 5.845 202 HD23 LEU 23 2HD2 LEU 23 8.765 -0.865 4.905 203 H GLN 24 H GLN 24 10.170 -2.980 0.179 204 HA GLN 24 HA GLN 24 11.795 -5.002 1.565 205 HB2 GLN 24 2HB GLN 24 10.422 -5.392 -0.504 206 HB3 GLN 24 1HB GLN 24 11.506 -4.310 -1.378 207 HG2 GLN 24 2HG GLN 24 12.693 -6.198 -1.821 208 HG3 GLN 24 1HG GLN 24 13.286 -6.013 -0.171 209 HE21 GLN 24 1HE2 GLN 24 13.436 -8.340 0.173 210 HE22 GLN 24 2HE2 GLN 24 12.048 -9.303 0.333 211 H LYS 25 H LYS 25 12.309 -2.075 -0.405 212 HA LYS 25 HA LYS 25 15.236 -2.356 -0.309 213 HB2 LYS 25 2HB LYS 25 15.073 -0.887 -2.042 214 HB3 LYS 25 1HB LYS 25 13.328 -1.093 -1.913 215 HG2 LYS 25 2HG LYS 25 13.303 0.763 -0.212 216 HG3 LYS 25 1HG LYS 25 15.012 1.028 -0.552 217 HD2 LYS 25 2HD LYS 25 14.425 1.370 -2.965 218 HD3 LYS 25 1HD LYS 25 12.721 1.257 -2.523 219 HE2 LYS 25 2HE LYS 25 12.754 3.289 -1.353 220 HE3 LYS 25 1HE LYS 25 14.506 3.213 -1.082 221 HZ1 LYS 25 3HZ LYS 25 13.122 4.357 -3.259 222 HZ2 LYS 25 1HZ LYS 25 14.076 3.077 -3.831 223 HZ3 LYS 25 2HZ LYS 25 14.793 4.346 -2.958 224 H ASP 26 H ASP 26 12.716 -0.570 1.376 225 HA ASP 26 HA ASP 26 14.821 0.419 3.252 226 HB2 ASP 26 2HB ASP 26 13.748 2.075 1.574 227 HB3 ASP 26 1HB ASP 26 12.284 1.903 2.543 228 H GLY 27 H GLY 27 13.677 -1.933 3.910 229 HA2 GLY 27 2HA GLY 27 11.169 -2.091 5.094 230 HA3 GLY 27 1HA GLY 27 12.581 -2.925 5.745 231 H ARG 28 H ARG 28 13.932 -0.260 6.176 232 HA ARG 28 HA ARG 28 12.880 0.203 8.875 233 HB2 ARG 28 2HB ARG 28 15.122 1.387 7.207 234 HB3 ARG 28 1HB ARG 28 14.840 1.801 8.898 235 HG2 ARG 28 2HG ARG 28 16.416 0.077 9.076 236 HG3 ARG 28 1HG ARG 28 14.893 -0.793 9.270 237 HD2 ARG 28 2HD ARG 28 15.005 -1.738 7.134 238 HD3 ARG 28 1HD ARG 28 16.042 -0.440 6.509 239 HE ARG 28 HE ARG 28 16.946 -2.694 8.223 240 HH11 ARG 28 1HH2 ARG 28 17.927 -1.504 5.459 241 HH12 ARG 28 2HH2 ARG 28 19.481 -0.918 5.951 242 HH21 ARG 28 1HH1 ARG 28 18.802 -1.179 9.340 243 HH22 ARG 28 2HH1 ARG 28 19.976 -0.735 8.147 244 H ILE 29 H ILE 29 11.668 1.159 6.039 245 HA ILE 29 HA ILE 29 11.475 4.039 6.340 246 HB ILE 29 HB ILE 29 11.292 2.803 4.198 247 HG12 ILE 29 2HG1 ILE 29 8.801 4.311 5.052 248 HG13 ILE 29 1HG1 ILE 29 10.248 5.001 4.317 249 HG21 ILE 29 1HG2 ILE 29 9.736 1.161 3.819 250 HG22 ILE 29 2HG2 ILE 29 8.517 1.941 4.828 251 HG23 ILE 29 3HG2 ILE 29 9.812 1.006 5.575 252 HD11 ILE 29 3HD1 ILE 29 9.280 2.837 2.679 253 HD12 ILE 29 1HD1 ILE 29 9.472 4.539 2.257 254 HD13 ILE 29 2HD1 ILE 29 7.968 3.975 2.987 255 H SER 30 H SER 30 9.551 5.216 6.935 256 HA SER 30 HA SER 30 7.887 3.750 8.922 257 HB2 SER 30 2HB SER 30 9.076 6.420 8.626 258 HB3 SER 30 1HB SER 30 7.407 6.459 9.190 259 HG SER 30 HG SER 30 8.020 5.625 11.021 260 H ASN 31 H ASN 31 5.591 3.875 8.796 261 HA ASN 31 HA ASN 31 4.231 3.767 6.401 262 HB2 ASN 31 2HB ASN 31 3.040 3.305 8.392 263 HB3 ASN 31 1HB ASN 31 3.513 4.831 9.139 264 HD21 ASN 31 1HD2 ASN 31 2.329 4.636 5.796 265 HD22 ASN 31 2HD2 ASN 31 0.865 5.445 6.085 266 H VAL 32 H VAL 32 4.665 6.803 8.297 267 HA VAL 32 HA VAL 32 3.477 8.645 6.582 268 HB VAL 32 HB VAL 32 6.011 8.678 8.236 269 HG11 VAL 32 1HG1 VAL 32 5.723 11.257 7.961 270 HG12 VAL 32 2HG1 VAL 32 4.856 10.839 6.485 271 HG13 VAL 32 3HG1 VAL 32 6.542 10.360 6.683 272 HG21 VAL 32 3HG2 VAL 32 4.435 10.395 9.457 273 HG22 VAL 32 1HG2 VAL 32 4.150 8.665 9.654 274 HG23 VAL 32 2HG2 VAL 32 3.164 9.598 8.530 275 H GLU 33 H GLU 33 6.919 7.635 6.408 276 HA GLU 33 HA GLU 33 7.383 8.790 3.809 277 HB2 GLU 33 2HB GLU 33 8.916 7.799 5.791 278 HB3 GLU 33 1HB GLU 33 8.860 6.367 4.761 279 HG2 GLU 33 2HG GLU 33 10.623 7.376 3.714 280 HG3 GLU 33 1HG GLU 33 9.350 8.286 2.899 281 H LEU 34 H LEU 34 6.092 5.738 4.969 282 HA LEU 34 HA LEU 34 6.210 4.327 2.438 283 HB2 LEU 34 2HB LEU 34 5.729 3.748 5.093 284 HB3 LEU 34 1HB LEU 34 4.120 3.610 4.384 285 HG LEU 34 HG LEU 34 6.621 2.193 3.413 286 HD11 LEU 34 1HD1 LEU 34 4.102 0.918 4.466 287 HD12 LEU 34 2HD1 LEU 34 5.374 1.438 5.572 288 HD13 LEU 34 3HD1 LEU 34 5.719 0.226 4.338 289 HD21 LEU 34 3HD2 LEU 34 3.814 2.426 2.341 290 HD22 LEU 34 1HD2 LEU 34 4.766 0.973 2.030 291 HD23 LEU 34 2HD2 LEU 34 5.344 2.542 1.470 292 H SER 35 H SER 35 4.213 6.783 3.762 293 HA SER 35 HA SER 35 1.855 6.169 2.106 294 HB2 SER 35 2HB SER 35 0.861 7.881 3.380 295 HB3 SER 35 1HB SER 35 2.004 7.140 4.501 296 HG SER 35 HG SER 35 2.324 9.333 4.581 297 H LYS 36 H LYS 36 4.347 8.727 2.319 298 HA LYS 36 HA LYS 36 3.334 10.108 -0.057 299 HB2 LYS 36 2HB LYS 36 5.916 10.426 1.507 300 HB3 LYS 36 1HB LYS 36 5.174 11.629 0.452 301 HG2 LYS 36 2HG LYS 36 3.641 12.242 2.021 302 HG3 LYS 36 1HG LYS 36 3.395 10.582 2.564 303 HD2 LYS 36 2HD LYS 36 4.439 11.916 4.347 304 HD3 LYS 36 1HD LYS 36 5.552 10.671 3.780 305 HE2 LYS 36 2HE LYS 36 6.557 13.019 4.055 306 HE3 LYS 36 1HE LYS 36 6.793 12.274 2.462 307 HZ1 LYS 36 3HZ LYS 36 4.357 13.839 3.005 308 HZ2 LYS 36 1HZ LYS 36 5.123 13.534 1.522 309 HZ3 LYS 36 2HZ LYS 36 5.796 14.651 2.612 310 H ARG 37 H ARG 37 6.239 8.151 0.705 311 HA ARG 37 HA ARG 37 7.570 8.407 -1.771 312 HB2 ARG 37 2HB ARG 37 7.366 6.129 0.217 313 HB3 ARG 37 1HB ARG 37 8.562 6.185 -1.080 314 HG2 ARG 37 2HG ARG 37 9.181 8.514 -0.132 315 HG3 ARG 37 1HG ARG 37 8.296 8.007 1.307 316 HD2 ARG 37 2HD ARG 37 9.960 6.592 1.953 317 HD3 ARG 37 1HD ARG 37 10.177 5.971 0.305 318 HE ARG 37 HE ARG 37 11.508 8.363 1.440 319 HH11 ARG 37 1HH1 ARG 37 10.492 6.678 -1.380 320 HH12 ARG 37 2HH1 ARG 37 11.862 7.157 -2.326 321 HH21 ARG 37 1HH2 ARG 37 13.389 8.875 0.268 322 HH22 ARG 37 2HH2 ARG 37 13.502 8.399 -1.393 323 H VAL 38 H VAL 38 4.647 6.808 -1.024 324 HA VAL 38 HA VAL 38 4.779 5.148 -3.481 325 HB VAL 38 HB VAL 38 2.685 4.172 -2.446 326 HG11 VAL 38 1HG1 VAL 38 5.433 4.095 -1.419 327 HG12 VAL 38 2HG1 VAL 38 4.325 2.766 -1.758 328 HG13 VAL 38 3HG1 VAL 38 4.234 3.617 -0.216 329 HG21 VAL 38 3HG2 VAL 38 3.481 5.780 -0.022 330 HG22 VAL 38 1HG2 VAL 38 1.991 4.882 -0.297 331 HG23 VAL 38 2HG2 VAL 38 2.295 6.382 -1.172 332 H GLY 39 H GLY 39 3.346 8.003 -2.178 333 HA2 GLY 39 2HA GLY 39 2.387 9.683 -3.643 334 HA3 GLY 39 1HA GLY 39 1.903 8.397 -4.746 335 H LEU 40 H LEU 40 1.354 8.453 -1.227 336 HA LEU 40 HA LEU 40 -1.509 9.115 -1.618 337 HB2 LEU 40 2HB LEU 40 -1.965 6.876 -0.296 338 HB3 LEU 40 1HB LEU 40 -1.741 6.825 -2.045 339 HG LEU 40 HG LEU 40 0.739 6.674 -0.465 340 HD11 LEU 40 1HD1 LEU 40 -0.188 5.189 1.017 341 HD12 LEU 40 2HD1 LEU 40 0.066 4.061 -0.312 342 HD13 LEU 40 3HD1 LEU 40 -1.521 4.787 -0.064 343 HD21 LEU 40 3HD2 LEU 40 0.992 6.316 -2.773 344 HD22 LEU 40 1HD2 LEU 40 -0.494 5.376 -2.883 345 HD23 LEU 40 2HD2 LEU 40 0.940 4.672 -2.140 346 H SER 41 H SER 41 -2.656 8.998 0.577 347 HA SER 41 HA SER 41 -1.033 10.336 2.602 348 HB2 SER 41 2HB SER 41 -3.842 9.682 2.023 349 HB3 SER 41 1HB SER 41 -3.449 9.621 3.740 350 HG SER 41 HG SER 41 -3.604 11.763 2.027 351 HA PRO 42 HA PRO 42 0.128 6.809 4.772 352 HB2 PRO 42 2HB PRO 42 0.152 7.715 7.351 353 HB3 PRO 42 1HB PRO 42 1.360 8.188 6.142 354 HG2 PRO 42 2HG PRO 42 -1.008 9.689 7.138 355 HG3 PRO 42 1HG PRO 42 0.597 10.281 6.683 356 HD2 PRO 42 2HD PRO 42 -1.636 10.457 5.083 357 HD3 PRO 42 1HD PRO 42 0.035 10.466 4.479 358 H THR 43 H THR 43 -2.628 8.489 6.324 359 HA THR 43 HA THR 43 -3.718 6.504 7.906 360 HB THR 43 HB THR 43 -4.762 8.666 6.139 361 HG1 THR 43 1HG THR 43 -5.206 7.910 8.834 362 HG21 THR 43 3HG2 THR 43 -6.435 7.069 5.574 363 HG22 THR 43 1HG2 THR 43 -7.132 8.011 6.893 364 HG23 THR 43 2HG2 THR 43 -6.464 6.410 7.209 365 HA PRO 44 HA PRO 44 -5.630 4.297 4.140 366 HB2 PRO 44 2HB PRO 44 -5.033 5.221 1.633 367 HB3 PRO 44 1HB PRO 44 -6.401 5.836 2.582 368 HG2 PRO 44 2HG PRO 44 -3.724 7.047 2.114 369 HG3 PRO 44 1HG PRO 44 -5.306 7.826 2.268 370 HD2 PRO 44 2HD PRO 44 -3.412 7.725 4.273 371 HD3 PRO 44 1HD PRO 44 -5.153 7.955 4.540 372 H CYS 45 H CYS 45 -2.398 5.680 3.472 373 HA CYS 45 HA CYS 45 -1.188 3.709 1.935 374 HB2 CYS 45 2HB CYS 45 -0.068 5.720 2.823 375 HB3 CYS 45 1HB CYS 45 -0.149 5.052 4.454 376 HG CYS 45 HG CYS 45 2.189 4.389 3.587 377 H LEU 46 H LEU 46 -1.696 3.647 5.457 378 HA LEU 46 HA LEU 46 -0.686 1.020 5.934 379 HB2 LEU 46 2HB LEU 46 -2.874 2.662 7.260 380 HB3 LEU 46 1HB LEU 46 -2.087 1.258 7.988 381 HG LEU 46 HG LEU 46 -0.069 3.045 7.012 382 HD11 LEU 46 1HD1 LEU 46 -1.327 4.527 9.179 383 HD12 LEU 46 2HD1 LEU 46 -2.360 4.463 7.752 384 HD13 LEU 46 3HD1 LEU 46 -0.724 5.112 7.627 385 HD21 LEU 46 3HD2 LEU 46 0.191 1.377 8.813 386 HD22 LEU 46 1HD2 LEU 46 -0.932 2.289 9.822 387 HD23 LEU 46 2HD2 LEU 46 0.626 2.989 9.381 388 H GLU 47 H GLU 47 -3.876 2.264 5.005 389 HA GLU 47 HA GLU 47 -5.375 -0.137 5.117 390 HB2 GLU 47 2HB GLU 47 -5.532 2.521 4.011 391 HB3 GLU 47 1HB GLU 47 -6.152 1.361 2.839 392 HG2 GLU 47 2HG GLU 47 -7.178 0.529 5.323 393 HG3 GLU 47 1HG GLU 47 -7.360 2.283 5.307 394 H ARG 48 H ARG 48 -3.289 1.206 2.571 395 HA ARG 48 HA ARG 48 -3.698 -0.945 0.680 396 HB2 ARG 48 2HB ARG 48 -1.331 0.928 0.960 397 HB3 ARG 48 1HB ARG 48 -1.931 0.180 -0.522 398 HG2 ARG 48 2HG ARG 48 -3.968 1.746 0.915 399 HG3 ARG 48 1HG ARG 48 -2.602 2.710 0.354 400 HD2 ARG 48 2HD ARG 48 -3.216 2.491 -1.827 401 HD3 ARG 48 1HD ARG 48 -3.572 0.764 -1.638 402 HE ARG 48 HE ARG 48 -5.469 2.579 -0.305 403 HH11 ARG 48 1HH1 ARG 48 -4.590 1.127 -3.290 404 HH12 ARG 48 2HH1 ARG 48 -6.222 0.836 -3.789 405 HH21 ARG 48 1HH2 ARG 48 -7.615 2.047 -0.854 406 HH22 ARG 48 2HH2 ARG 48 -7.935 1.357 -2.411 407 H VAL 49 H VAL 49 -1.092 -0.149 2.989 408 HA VAL 49 HA VAL 49 0.552 -2.428 2.529 409 HB VAL 49 HB VAL 49 0.207 -0.240 4.433 410 HG11 VAL 49 1HG1 VAL 49 0.930 -2.978 5.495 411 HG12 VAL 49 2HG1 VAL 49 -0.209 -1.810 6.165 412 HG13 VAL 49 3HG1 VAL 49 1.525 -1.506 6.264 413 HG21 VAL 49 3HG2 VAL 49 2.815 -1.183 4.592 414 HG22 VAL 49 1HG2 VAL 49 2.226 0.020 3.445 415 HG23 VAL 49 2HG2 VAL 49 2.303 -1.680 2.978 416 H ARG 50 H ARG 50 -1.981 -1.899 5.020 417 HA ARG 50 HA ARG 50 -2.036 -4.323 6.337 418 HB2 ARG 50 2HB ARG 50 -3.853 -2.175 5.668 419 HB3 ARG 50 1HB ARG 50 -4.722 -3.709 5.665 420 HG2 ARG 50 2HG ARG 50 -4.861 -3.346 7.912 421 HG3 ARG 50 1HG ARG 50 -3.221 -3.990 7.918 422 HD2 ARG 50 2HD ARG 50 -2.584 -2.012 8.843 423 HD3 ARG 50 1HD ARG 50 -2.908 -1.276 7.261 424 HE ARG 50 HE ARG 50 -5.389 -1.248 8.184 425 HH11 ARG 50 1HH2 ARG 50 -3.522 -1.894 10.770 426 HH12 ARG 50 2HH2 ARG 50 -3.780 -0.404 11.615 427 HH21 ARG 50 1HH1 ARG 50 -5.289 1.169 8.919 428 HH22 ARG 50 2HH1 ARG 50 -4.783 1.328 10.568 429 H ARG 51 H ARG 51 -3.751 -3.646 3.287 430 HA ARG 51 HA ARG 51 -4.744 -6.190 2.690 431 HB2 ARG 51 2HB ARG 51 -5.361 -4.748 1.029 432 HB3 ARG 51 1HB ARG 51 -3.938 -3.738 1.279 433 HG2 ARG 51 2HG ARG 51 -3.879 -4.728 -0.964 434 HG3 ARG 51 1HG ARG 51 -2.573 -5.386 0.019 435 HD2 ARG 51 2HD ARG 51 -3.455 -7.352 -0.891 436 HD3 ARG 51 1HD ARG 51 -4.414 -7.233 0.599 437 HE ARG 51 HE ARG 51 -5.357 -6.467 -2.120 438 HH11 ARG 51 1HH2 ARG 51 -6.289 -8.264 0.432 439 HH12 ARG 51 2HH2 ARG 51 -7.813 -7.490 0.708 440 HH21 ARG 51 1HH1 ARG 51 -7.146 -4.828 -1.410 441 HH22 ARG 51 2HH1 ARG 51 -8.297 -5.546 -0.334 442 H LEU 52 H LEU 52 -1.471 -4.899 2.119 443 HA LEU 52 HA LEU 52 -0.437 -7.326 0.919 444 HB2 LEU 52 2HB LEU 52 0.569 -4.719 1.977 445 HB3 LEU 52 1HB LEU 52 1.744 -6.016 1.761 446 HG LEU 52 HG LEU 52 -0.183 -5.114 -0.397 447 HD11 LEU 52 1HD1 LEU 52 1.212 -3.262 -0.258 448 HD12 LEU 52 2HD1 LEU 52 2.152 -4.286 -1.344 449 HD13 LEU 52 3HD1 LEU 52 2.567 -4.201 0.368 450 HD21 LEU 52 3HD2 LEU 52 1.207 -6.461 -1.860 451 HD22 LEU 52 1HD2 LEU 52 0.725 -7.462 -0.492 452 HD23 LEU 52 2HD2 LEU 52 2.349 -6.777 -0.553 453 H GLU 53 H GLU 53 -0.926 -6.201 4.174 454 HA GLU 53 HA GLU 53 0.995 -7.792 5.571 455 HB2 GLU 53 2HB GLU 53 -0.641 -5.847 6.253 456 HB3 GLU 53 1HB GLU 53 -1.764 -7.160 6.601 457 HG2 GLU 53 2HG GLU 53 1.043 -6.966 7.732 458 HG3 GLU 53 1HG GLU 53 -0.417 -6.474 8.592 459 H ARG 54 H ARG 54 -2.523 -8.409 5.187 460 HA ARG 54 HA ARG 54 -2.662 -10.998 6.215 461 HB2 ARG 54 2HB ARG 54 -4.061 -9.980 3.722 462 HB3 ARG 54 1HB ARG 54 -4.673 -11.177 4.864 463 HG2 ARG 54 2HG ARG 54 -4.067 -8.995 6.477 464 HG3 ARG 54 1HG ARG 54 -4.741 -8.259 5.022 465 HD2 ARG 54 2HD ARG 54 -6.599 -8.726 6.507 466 HD3 ARG 54 1HD ARG 54 -6.662 -9.941 5.215 467 HE ARG 54 HE ARG 54 -5.242 -11.367 6.873 468 HH11 ARG 54 1HH2 ARG 54 -6.140 -8.727 8.588 469 HH12 ARG 54 2HH2 ARG 54 -7.123 -9.551 9.753 470 HH21 ARG 54 1HH1 ARG 54 -7.126 -12.554 8.022 471 HH22 ARG 54 2HH1 ARG 54 -7.681 -11.717 9.433 472 H GLN 55 H GLN 55 -1.342 -9.963 3.118 473 HA GLN 55 HA GLN 55 -1.242 -12.615 1.933 474 HB2 GLN 55 2HB GLN 55 0.413 -10.156 1.298 475 HB3 GLN 55 1HB GLN 55 -0.025 -11.462 0.196 476 HG2 GLN 55 2HG GLN 55 -2.380 -10.281 1.440 477 HG3 GLN 55 1HG GLN 55 -1.434 -9.074 0.569 478 HE21 GLN 55 1HE2 GLN 55 -3.965 -11.113 0.075 479 HE22 GLN 55 2HE2 GLN 55 -3.752 -11.463 -1.571 480 H GLY 56 H GLY 56 0.374 -11.381 4.541 481 HA2 GLY 56 2HA GLY 56 2.262 -12.136 5.716 482 HA3 GLY 56 1HA GLY 56 2.316 -13.497 4.595 483 H PHE 57 H PHE 57 2.705 -9.962 4.145 484 HA PHE 57 HA PHE 57 5.402 -10.527 2.965 485 HB2 PHE 57 2HB PHE 57 3.176 -8.723 1.962 486 HB3 PHE 57 1HB PHE 57 4.793 -8.790 1.258 487 HD1 PHE 57 1HD PHE 57 5.224 -11.803 1.688 488 HD2 PHE 57 2HD PHE 57 1.948 -9.553 0.057 489 HE1 PHE 57 1HE PHE 57 4.549 -13.766 0.334 490 HE2 PHE 57 2HE PHE 57 1.276 -11.516 -1.301 491 HZ PHE 57 HZ PHE 57 2.576 -13.623 -1.161 492 H ILE 58 H ILE 58 3.953 -9.154 5.499 493 HA ILE 58 HA ILE 58 6.050 -7.067 5.766 494 HB ILE 58 HB ILE 58 3.245 -6.292 6.467 495 HG12 ILE 58 2HG1 ILE 58 4.335 -6.406 3.635 496 HG13 ILE 58 1HG1 ILE 58 2.899 -7.228 4.249 497 HG21 ILE 58 1HG2 ILE 58 5.792 -4.985 5.555 498 HG22 ILE 58 2HG2 ILE 58 4.796 -4.621 6.964 499 HG23 ILE 58 3HG2 ILE 58 4.259 -4.137 5.358 500 HD11 ILE 58 3HD1 ILE 58 1.632 -5.311 4.249 501 HD12 ILE 58 1HD1 ILE 58 2.761 -4.864 2.971 502 HD13 ILE 58 2HD1 ILE 58 3.012 -4.274 4.613 503 H GLN 59 H GLN 59 6.949 -7.527 7.719 504 HA GLN 59 HA GLN 59 5.611 -9.126 9.736 505 HB2 GLN 59 2HB GLN 59 7.718 -8.625 10.986 506 HB3 GLN 59 1HB GLN 59 8.035 -9.161 9.336 507 HG2 GLN 59 2HG GLN 59 7.757 -6.433 9.025 508 HG3 GLN 59 1HG GLN 59 8.563 -6.555 10.590 509 HE21 GLN 59 1HE2 GLN 59 10.720 -6.044 10.008 510 HE22 GLN 59 2HE2 GLN 59 11.616 -6.915 8.859 511 H GLY 60 H GLY 60 3.671 -7.660 9.989 512 HA2 GLY 60 2HA GLY 60 2.814 -6.449 11.978 513 HA3 GLY 60 1HA GLY 60 4.286 -5.478 11.936 514 H TYR 61 H TYR 61 1.923 -6.393 9.402 515 HA TYR 61 HA TYR 61 0.714 -5.020 7.908 516 HB2 TYR 61 2HB TYR 61 1.178 -2.991 10.105 517 HB3 TYR 61 1HB TYR 61 -0.112 -2.956 8.905 518 HD1 TYR 61 1HD TYR 61 -1.900 -4.696 8.940 519 HD2 TYR 61 2HD TYR 61 1.048 -4.402 12.046 520 HE1 TYR 61 1HE TYR 61 -3.308 -6.112 10.410 521 HE2 TYR 61 2HE TYR 61 -0.357 -5.821 13.516 522 HH TYR 61 HH TYR 61 -3.080 -7.551 12.337 523 H THR 62 H THR 62 2.770 -2.547 9.374 524 HA THR 62 HA THR 62 3.649 -1.738 6.691 525 HB THR 62 HB THR 62 4.232 0.256 7.770 526 HG1 THR 62 1HG THR 62 4.743 -1.494 9.879 527 HG21 THR 62 3HG2 THR 62 2.227 -0.842 9.741 528 HG22 THR 62 1HG2 THR 62 1.783 -0.435 8.084 529 HG23 THR 62 2HG2 THR 62 2.389 0.817 9.166 530 H ALA 63 H ALA 63 4.696 -3.804 9.130 531 HA ALA 63 HA ALA 63 6.742 -4.893 9.527 532 HB1 ALA 63 1HB ALA 63 6.911 -3.939 6.666 533 HB2 ALA 63 2HB ALA 63 6.579 -5.569 7.252 534 HB3 ALA 63 3HB ALA 63 8.204 -4.895 7.390 535 H LEU 64 H LEU 64 6.430 -2.019 10.219 536 HA LEU 64 HA LEU 64 9.165 -1.391 10.881 537 HB2 LEU 64 2HB LEU 64 9.312 0.594 9.356 538 HB3 LEU 64 1HB LEU 64 9.237 -0.935 8.481 539 HG LEU 64 HG LEU 64 6.622 -0.478 8.600 540 HD11 LEU 64 1HD1 LEU 64 7.055 2.303 8.081 541 HD12 LEU 64 2HD1 LEU 64 7.734 1.920 9.663 542 HD13 LEU 64 3HD1 LEU 64 6.040 1.567 9.322 543 HD21 LEU 64 3HD2 LEU 64 8.592 -0.273 6.662 544 HD22 LEU 64 1HD2 LEU 64 7.798 1.300 6.584 545 HD23 LEU 64 2HD2 LEU 64 6.857 -0.176 6.365 546 H LEU 65 H LEU 65 5.920 -0.137 10.294 547 HA LEU 65 HA LEU 65 6.079 2.162 11.969 548 HB2 LEU 65 2HB LEU 65 3.843 2.381 11.392 549 HB3 LEU 65 1HB LEU 65 4.314 1.196 10.178 550 HG LEU 65 HG LEU 65 2.313 0.338 11.148 551 HD11 LEU 65 1HD1 LEU 65 4.814 -0.984 11.637 552 HD12 LEU 65 2HD1 LEU 65 3.247 -1.700 11.277 553 HD13 LEU 65 3HD1 LEU 65 3.702 -1.362 12.947 554 HD21 LEU 65 3HD2 LEU 65 3.120 0.205 13.951 555 HD22 LEU 65 1HD2 LEU 65 1.627 0.820 13.244 556 HD23 LEU 65 2HD2 LEU 65 3.044 1.864 13.359 557 H ASN 66 H ASN 66 6.218 -1.087 12.833 558 HA ASN 66 HA ASN 66 4.703 -1.150 15.266 559 HB2 ASN 66 2HB ASN 66 6.267 -3.076 15.742 560 HB3 ASN 66 1HB ASN 66 5.522 -3.150 14.145 561 HD21 ASN 66 1HD2 ASN 66 8.339 -3.957 15.379 562 HD22 ASN 66 2HD2 ASN 66 9.420 -3.393 14.199 Start of MODEL 11 1 H1 MET 1 1HT MET 1 9.327 -8.714 -19.544 2 H2 MET 1 2HT MET 1 7.983 -7.783 -19.082 3 H3 MET 1 3HT MET 1 7.761 -9.347 -19.709 4 HA MET 1 HA MET 1 7.668 -10.028 -17.585 5 HB2 MET 1 2HB MET 1 10.154 -10.232 -18.684 6 HB3 MET 1 1HB MET 1 10.535 -9.351 -17.204 7 HG2 MET 1 2HG MET 1 9.572 -11.063 -15.832 8 HG3 MET 1 1HG MET 1 8.841 -11.860 -17.226 9 HE1 MET 1 2HE MET 1 10.839 -14.220 -18.470 10 HE2 MET 1 3HE MET 1 9.332 -13.640 -17.765 11 HE3 MET 1 1HE MET 1 10.478 -14.555 -16.778 12 H VAL 2 H VAL 2 8.385 -9.480 -15.200 13 HA VAL 2 HA VAL 2 8.434 -6.507 -14.819 14 HB VAL 2 HB VAL 2 6.764 -8.514 -13.274 15 HG11 VAL 2 1HG1 VAL 2 7.130 -6.543 -11.976 16 HG12 VAL 2 2HG1 VAL 2 5.531 -6.347 -12.694 17 HG13 VAL 2 3HG1 VAL 2 6.915 -5.494 -13.377 18 HG21 VAL 2 3HG2 VAL 2 6.310 -7.131 -15.852 19 HG22 VAL 2 1HG2 VAL 2 4.987 -7.003 -14.694 20 HG23 VAL 2 2HG2 VAL 2 5.555 -8.590 -15.211 21 H ASP 3 H ASP 3 10.320 -6.104 -13.727 22 HA ASP 3 HA ASP 3 11.350 -8.148 -11.815 23 HB2 ASP 3 2HB ASP 3 12.570 -6.892 -13.831 24 HB3 ASP 3 1HB ASP 3 12.814 -5.655 -12.597 25 H SER 4 H SER 4 9.557 -7.399 -10.274 26 HA SER 4 HA SER 4 10.632 -5.246 -8.536 27 HB2 SER 4 2HB SER 4 9.184 -3.943 -9.853 28 HB3 SER 4 1HB SER 4 8.020 -5.254 -10.037 29 HG SER 4 HG SER 4 7.562 -3.449 -8.481 30 H LYS 5 H LYS 5 11.001 -7.185 -7.161 31 HA LYS 5 HA LYS 5 10.373 -8.634 -5.403 32 HB2 LYS 5 2HB LYS 5 8.481 -6.346 -5.495 33 HB3 LYS 5 1HB LYS 5 7.952 -7.729 -4.536 34 HG2 LYS 5 2HG LYS 5 9.185 -6.662 -2.914 35 HG3 LYS 5 1HG LYS 5 10.496 -7.569 -3.669 36 HD2 LYS 5 2HD LYS 5 9.722 -4.798 -4.601 37 HD3 LYS 5 1HD LYS 5 10.903 -5.057 -3.316 38 HE2 LYS 5 2HE LYS 5 11.599 -6.827 -5.438 39 HE3 LYS 5 1HE LYS 5 11.315 -5.229 -6.155 40 HZ1 LYS 5 3HZ LYS 5 13.534 -5.221 -5.363 41 HZ2 LYS 5 1HZ LYS 5 13.089 -5.905 -3.875 42 HZ3 LYS 5 2HZ LYS 5 12.634 -4.312 -4.245 43 H LYS 6 H LYS 6 8.400 -10.100 -4.693 44 HA LYS 6 HA LYS 6 7.258 -11.272 -7.189 45 HB2 LYS 6 2HB LYS 6 8.684 -12.677 -5.750 46 HB3 LYS 6 1HB LYS 6 7.630 -12.345 -4.374 47 HG2 LYS 6 2HG LYS 6 6.287 -14.043 -4.983 48 HG3 LYS 6 1HG LYS 6 6.000 -13.261 -6.538 49 HD2 LYS 6 2HD LYS 6 7.702 -14.452 -7.602 50 HD3 LYS 6 1HD LYS 6 8.563 -14.763 -6.094 51 HE2 LYS 6 2HE LYS 6 6.000 -15.961 -5.811 52 HE3 LYS 6 1HE LYS 6 6.619 -16.435 -7.406 53 HZ1 LYS 6 3HZ LYS 6 8.838 -16.681 -6.088 54 HZ2 LYS 6 1HZ LYS 6 7.696 -17.935 -6.058 55 HZ3 LYS 6 2HZ LYS 6 7.809 -16.859 -4.748 56 H ARG 7 H ARG 7 5.749 -12.224 -4.284 57 HA ARG 7 HA ARG 7 3.545 -11.871 -3.485 58 HB2 ARG 7 2HB ARG 7 4.824 -9.361 -4.071 59 HB3 ARG 7 1HB ARG 7 3.118 -9.229 -4.489 60 HG2 ARG 7 2HG ARG 7 2.763 -8.869 -2.281 61 HG3 ARG 7 1HG ARG 7 3.072 -10.593 -2.073 62 HD2 ARG 7 2HD ARG 7 5.178 -8.400 -1.951 63 HD3 ARG 7 1HD ARG 7 4.532 -9.300 -0.565 64 HE ARG 7 HE ARG 7 5.434 -11.150 -2.559 65 HH11 ARG 7 1HH1 ARG 7 7.451 -8.734 -1.928 66 HH12 ARG 7 2HH1 ARG 7 8.563 -9.595 -0.917 67 HH21 ARG 7 1HH2 ARG 7 6.486 -12.344 -0.523 68 HH22 ARG 7 2HH2 ARG 7 8.017 -11.639 -0.121 69 HA PRO 8 HA PRO 8 0.685 -12.314 -6.804 70 HB2 PRO 8 2HB PRO 8 -1.296 -10.430 -6.488 71 HB3 PRO 8 1HB PRO 8 -1.162 -11.885 -5.481 72 HG2 PRO 8 2HG PRO 8 -0.300 -9.091 -4.895 73 HG3 PRO 8 1HG PRO 8 -1.069 -10.278 -3.831 74 HD2 PRO 8 2HD PRO 8 1.584 -9.750 -3.748 75 HD3 PRO 8 1HD PRO 8 0.919 -11.353 -3.373 76 H GLY 9 H GLY 9 2.833 -11.077 -7.774 77 HA2 GLY 9 2HA GLY 9 2.640 -8.471 -8.820 78 HA3 GLY 9 1HA GLY 9 3.584 -9.766 -9.561 79 H LYS 10 H LYS 10 1.040 -11.404 -9.825 80 HA LYS 10 HA LYS 10 0.364 -10.668 -12.510 81 HB2 LYS 10 2HB LYS 10 -1.333 -12.431 -12.228 82 HB3 LYS 10 1HB LYS 10 0.184 -12.931 -11.480 83 HG2 LYS 10 2HG LYS 10 -0.619 -12.522 -9.297 84 HG3 LYS 10 1HG LYS 10 -1.941 -11.510 -9.880 85 HD2 LYS 10 2HD LYS 10 -2.958 -13.514 -10.956 86 HD3 LYS 10 1HD LYS 10 -1.673 -14.506 -10.266 87 HE2 LYS 10 2HE LYS 10 -3.306 -14.751 -8.616 88 HE3 LYS 10 1HE LYS 10 -2.478 -13.306 -8.005 89 HZ1 LYS 10 3HZ LYS 10 -4.901 -12.988 -8.212 90 HZ2 LYS 10 1HZ LYS 10 -4.784 -13.270 -9.881 91 HZ3 LYS 10 2HZ LYS 10 -4.021 -11.916 -9.194 92 H ASP 11 H ASP 11 -0.575 -9.307 -9.562 93 HA ASP 11 HA ASP 11 -2.375 -7.418 -10.784 94 HB2 ASP 11 2HB ASP 11 -3.391 -10.000 -9.925 95 HB3 ASP 11 1HB ASP 11 -4.165 -8.698 -9.022 96 H LEU 12 H LEU 12 -0.986 -6.021 -9.515 97 HA LEU 12 HA LEU 12 -1.675 -6.002 -6.600 98 HB2 LEU 12 2HB LEU 12 0.827 -6.520 -7.920 99 HB3 LEU 12 1HB LEU 12 0.964 -5.010 -7.019 100 HG LEU 12 HG LEU 12 -0.256 -7.462 -5.762 101 HD11 LEU 12 1HD1 LEU 12 2.635 -6.789 -6.212 102 HD12 LEU 12 2HD1 LEU 12 1.835 -8.361 -6.267 103 HD13 LEU 12 3HD1 LEU 12 2.161 -7.591 -4.714 104 HD21 LEU 12 3HD2 LEU 12 0.721 -4.777 -4.915 105 HD22 LEU 12 1HD2 LEU 12 1.006 -6.113 -3.801 106 HD23 LEU 12 2HD2 LEU 12 -0.637 -5.722 -4.305 107 H ASP 13 H ASP 13 -2.610 -4.049 -6.128 108 HA ASP 13 HA ASP 13 -2.890 -1.849 -7.840 109 HB2 ASP 13 2HB ASP 13 -2.874 -2.264 -4.860 110 HB3 ASP 13 1HB ASP 13 -3.079 -0.635 -5.507 111 H ARG 14 H ARG 14 -1.689 0.053 -8.178 112 HA ARG 14 HA ARG 14 1.118 -0.066 -8.154 113 HB2 ARG 14 2HB ARG 14 -0.624 2.409 -7.944 114 HB3 ARG 14 1HB ARG 14 0.964 2.297 -8.701 115 HG2 ARG 14 2HG ARG 14 -1.657 1.150 -9.657 116 HG3 ARG 14 1HG ARG 14 -0.522 2.177 -10.530 117 HD2 ARG 14 2HD ARG 14 1.106 0.352 -10.658 118 HD3 ARG 14 1HD ARG 14 0.053 -0.684 -9.673 119 HE ARG 14 HE ARG 14 -0.651 0.320 -12.405 120 HH11 ARG 14 1HH2 ARG 14 -2.848 -0.495 -10.399 121 HH12 ARG 14 2HH2 ARG 14 -3.155 -2.120 -10.913 122 HH21 ARG 14 1HH1 ARG 14 -0.254 -2.357 -12.796 123 HH22 ARG 14 2HH1 ARG 14 -1.687 -3.174 -12.268 124 H ILE 15 H ILE 15 -1.058 0.619 -5.545 125 HA ILE 15 HA ILE 15 0.922 2.042 -3.902 126 HB ILE 15 HB ILE 15 -1.662 0.787 -2.983 127 HG12 ILE 15 2HG1 ILE 15 -2.407 1.840 -4.966 128 HG13 ILE 15 1HG1 ILE 15 -2.653 3.071 -3.729 129 HG21 ILE 15 1HG2 ILE 15 0.236 2.822 -2.056 130 HG22 ILE 15 2HG2 ILE 15 -0.965 1.911 -1.145 131 HG23 ILE 15 3HG2 ILE 15 -1.439 3.369 -2.016 132 HD11 ILE 15 3HD1 ILE 15 -0.701 3.002 -5.965 133 HD12 ILE 15 1HD1 ILE 15 -0.101 3.637 -4.433 134 HD13 ILE 15 2HD1 ILE 15 -1.499 4.381 -5.211 135 H ASP 16 H ASP 16 -0.712 -1.144 -3.764 136 HA ASP 16 HA ASP 16 0.807 -2.123 -1.527 137 HB2 ASP 16 2HB ASP 16 -0.682 -3.481 -3.802 138 HB3 ASP 16 1HB ASP 16 -0.112 -4.317 -2.358 139 H ARG 17 H ARG 17 1.347 -2.188 -5.032 140 HA ARG 17 HA ARG 17 3.581 -4.031 -4.913 141 HB2 ARG 17 2HB ARG 17 2.968 -4.025 -7.099 142 HB3 ARG 17 1HB ARG 17 1.977 -2.591 -6.842 143 HG2 ARG 17 2HG ARG 17 3.743 -1.125 -7.363 144 HG3 ARG 17 1HG ARG 17 4.970 -2.363 -7.097 145 HD2 ARG 17 2HD ARG 17 4.927 -2.490 -9.396 146 HD3 ARG 17 1HD ARG 17 3.519 -3.527 -9.095 147 HE ARG 17 HE ARG 17 3.142 -0.578 -9.350 148 HH11 ARG 17 1HH1 ARG 17 1.005 -2.826 -9.093 149 HH12 ARG 17 2HH1 ARG 17 0.408 -2.860 -10.719 150 HH21 ARG 17 1HH2 ARG 17 3.063 -1.042 -12.013 151 HH22 ARG 17 2HH2 ARG 17 1.572 -1.850 -12.371 152 H ASN 18 H ASN 18 3.391 -0.528 -5.525 153 HA ASN 18 HA ASN 18 6.183 -0.006 -5.403 154 HB2 ASN 18 2HB ASN 18 4.027 1.418 -6.035 155 HB3 ASN 18 1HB ASN 18 4.135 1.924 -4.348 156 HD21 ASN 18 1HD2 ASN 18 4.593 4.078 -5.682 157 HD22 ASN 18 2HD2 ASN 18 6.230 4.404 -5.993 158 H ILE 19 H ILE 19 3.755 -0.464 -2.910 159 HA ILE 19 HA ILE 19 5.285 0.551 -0.694 160 HB ILE 19 HB ILE 19 2.931 -1.270 -1.142 161 HG12 ILE 19 2HG1 ILE 19 3.193 1.205 0.579 162 HG13 ILE 19 1HG1 ILE 19 2.861 1.293 -1.151 163 HG21 ILE 19 1HG2 ILE 19 4.291 -2.220 0.751 164 HG22 ILE 19 2HG2 ILE 19 2.697 -1.650 1.241 165 HG23 ILE 19 3HG2 ILE 19 4.125 -0.672 1.581 166 HD11 ILE 19 3HD1 ILE 19 1.069 -0.631 -0.196 167 HD12 ILE 19 1HD1 ILE 19 0.679 1.030 -0.641 168 HD13 ILE 19 2HD1 ILE 19 1.058 0.631 1.035 169 H LEU 20 H LEU 20 4.867 -2.706 -2.110 170 HA LEU 20 HA LEU 20 6.587 -4.067 -0.240 171 HB2 LEU 20 2HB LEU 20 5.780 -4.621 -3.120 172 HB3 LEU 20 1HB LEU 20 6.562 -5.798 -2.063 173 HG LEU 20 HG LEU 20 4.022 -4.407 -1.223 174 HD11 LEU 20 1HD1 LEU 20 3.420 -7.026 -2.108 175 HD12 LEU 20 2HD1 LEU 20 4.343 -6.268 -3.405 176 HD13 LEU 20 3HD1 LEU 20 2.867 -5.507 -2.813 177 HD21 LEU 20 3HD2 LEU 20 4.964 -7.194 -0.556 178 HD22 LEU 20 1HD2 LEU 20 3.869 -6.154 0.354 179 HD23 LEU 20 2HD2 LEU 20 5.596 -5.798 0.315 180 H ASN 21 H ASN 21 7.136 -2.505 -3.403 181 HA ASN 21 HA ASN 21 9.927 -3.217 -3.616 182 HB2 ASN 21 2HB ASN 21 8.047 -2.173 -5.250 183 HB3 ASN 21 1HB ASN 21 8.852 -0.680 -4.768 184 HD21 ASN 21 1HD2 ASN 21 8.919 -2.176 -7.425 185 HD22 ASN 21 2HD2 ASN 21 10.570 -2.424 -7.735 186 H GLU 22 H GLU 22 8.140 -0.620 -2.048 187 HA GLU 22 HA GLU 22 10.519 0.964 -1.422 188 HB2 GLU 22 2HB GLU 22 7.592 0.977 -0.661 189 HB3 GLU 22 1HB GLU 22 8.734 2.117 0.051 190 HG2 GLU 22 2HG GLU 22 8.735 1.823 -2.923 191 HG3 GLU 22 1HG GLU 22 7.399 2.708 -2.184 192 H LEU 23 H LEU 23 8.456 -1.410 0.211 193 HA LEU 23 HA LEU 23 9.670 -1.128 2.815 194 HB2 LEU 23 2HB LEU 23 7.636 -2.647 1.462 195 HB3 LEU 23 1HB LEU 23 8.657 -3.755 2.380 196 HG LEU 23 HG LEU 23 6.887 -3.003 3.846 197 HD11 LEU 23 1HD1 LEU 23 8.187 -2.202 5.656 198 HD12 LEU 23 2HD1 LEU 23 9.263 -1.297 4.598 199 HD13 LEU 23 3HD1 LEU 23 9.349 -3.058 4.646 200 HD21 LEU 23 3HD2 LEU 23 7.202 -0.295 4.240 201 HD22 LEU 23 1HD2 LEU 23 5.950 -1.025 3.235 202 HD23 LEU 23 2HD2 LEU 23 7.444 -0.444 2.499 203 H GLN 24 H GLN 24 10.337 -3.101 -0.044 204 HA GLN 24 HA GLN 24 12.364 -4.757 1.209 205 HB2 GLN 24 2HB GLN 24 11.201 -4.210 -1.464 206 HB3 GLN 24 1HB GLN 24 12.870 -4.782 -1.483 207 HG2 GLN 24 2HG GLN 24 11.530 -6.380 0.420 208 HG3 GLN 24 1HG GLN 24 10.452 -6.277 -0.971 209 HE21 GLN 24 1HE2 GLN 24 12.416 -8.476 0.093 210 HE22 GLN 24 2HE2 GLN 24 13.280 -8.921 -1.299 211 H LYS 25 H LYS 25 12.373 -1.747 -0.703 212 HA LYS 25 HA LYS 25 15.302 -1.533 -0.638 213 HB2 LYS 25 2HB LYS 25 14.719 -0.301 -2.454 214 HB3 LYS 25 1HB LYS 25 13.020 -0.383 -1.991 215 HG2 LYS 25 2HG LYS 25 13.214 1.566 -0.604 216 HG3 LYS 25 1HG LYS 25 14.973 1.561 -0.738 217 HD2 LYS 25 2HD LYS 25 14.942 2.330 -2.945 218 HD3 LYS 25 1HD LYS 25 13.298 1.753 -3.225 219 HE2 LYS 25 2HE LYS 25 12.430 3.505 -1.687 220 HE3 LYS 25 1HE LYS 25 14.085 4.106 -1.466 221 HZ1 LYS 25 3HZ LYS 25 14.197 4.869 -3.588 222 HZ2 LYS 25 1HZ LYS 25 12.518 5.002 -3.393 223 HZ3 LYS 25 2HZ LYS 25 13.174 3.662 -4.206 224 H ASP 26 H ASP 26 12.631 -0.599 1.338 225 HA ASP 26 HA ASP 26 14.522 0.750 3.186 226 HB2 ASP 26 2HB ASP 26 12.084 1.892 1.832 227 HB3 ASP 26 1HB ASP 26 12.575 2.501 3.414 228 H GLY 27 H GLY 27 13.604 -1.769 3.657 229 HA2 GLY 27 2HA GLY 27 11.119 -2.231 4.804 230 HA3 GLY 27 1HA GLY 27 12.595 -2.987 5.400 231 H ARG 28 H ARG 28 13.880 -0.555 6.267 232 HA ARG 28 HA ARG 28 12.715 -0.312 8.901 233 HB2 ARG 28 2HB ARG 28 14.566 1.268 9.216 234 HB3 ARG 28 1HB ARG 28 15.135 -0.125 8.297 235 HG2 ARG 28 2HG ARG 28 14.028 2.026 6.624 236 HG3 ARG 28 1HG ARG 28 15.465 2.498 7.533 237 HD2 ARG 28 2HD ARG 28 15.701 -0.174 6.325 238 HD3 ARG 28 1HD ARG 28 15.517 1.129 5.134 239 HE ARG 28 HE ARG 28 17.356 1.913 7.216 240 HH11 ARG 28 1HH2 ARG 28 17.592 2.236 4.163 241 HH12 ARG 28 2HH2 ARG 28 19.007 1.287 3.851 242 HH21 ARG 28 1HH1 ARG 28 18.945 -0.301 6.932 243 HH22 ARG 28 2HH1 ARG 28 19.772 -0.150 5.418 244 H ILE 29 H ILE 29 10.563 0.354 7.445 245 HA ILE 29 HA ILE 29 10.314 3.295 7.876 246 HB ILE 29 HB ILE 29 10.856 2.850 5.499 247 HG12 ILE 29 2HG1 ILE 29 8.032 3.728 6.148 248 HG13 ILE 29 1HG1 ILE 29 9.443 4.747 5.866 249 HG21 ILE 29 1HG2 ILE 29 8.245 1.486 5.072 250 HG22 ILE 29 2HG2 ILE 29 9.529 0.523 5.801 251 HG23 ILE 29 3HG2 ILE 29 9.776 1.273 4.223 252 HD11 ILE 29 3HD1 ILE 29 8.819 4.862 3.704 253 HD12 ILE 29 1HD1 ILE 29 7.580 3.629 3.939 254 HD13 ILE 29 2HD1 ILE 29 9.237 3.155 3.566 255 H SER 30 H SER 30 8.381 3.825 8.825 256 HA SER 30 HA SER 30 6.577 1.654 9.602 257 HB2 SER 30 2HB SER 30 7.203 3.419 11.162 258 HB3 SER 30 1HB SER 30 6.620 4.656 10.051 259 HG SER 30 HG SER 30 4.588 4.133 10.506 260 H ASN 31 H ASN 31 5.206 4.768 8.828 261 HA ASN 31 HA ASN 31 3.895 3.658 6.380 262 HB2 ASN 31 2HB ASN 31 1.726 4.550 7.355 263 HB3 ASN 31 1HB ASN 31 2.404 3.175 8.227 264 HD21 ASN 31 1HD2 ASN 31 1.046 6.173 8.756 265 HD22 ASN 31 2HD2 ASN 31 1.765 6.544 10.248 266 H VAL 32 H VAL 32 4.195 6.566 8.474 267 HA VAL 32 HA VAL 32 3.345 8.576 6.780 268 HB VAL 32 HB VAL 32 5.856 8.423 8.487 269 HG11 VAL 32 1HG1 VAL 32 5.376 10.985 8.599 270 HG12 VAL 32 2HG1 VAL 32 4.482 10.719 7.102 271 HG13 VAL 32 3HG1 VAL 32 6.205 10.346 7.179 272 HG21 VAL 32 3HG2 VAL 32 3.329 9.835 9.257 273 HG22 VAL 32 1HG2 VAL 32 4.525 9.043 10.283 274 HG23 VAL 32 2HG2 VAL 32 3.371 8.075 9.366 275 H GLU 33 H GLU 33 6.783 7.542 6.848 276 HA GLU 33 HA GLU 33 7.439 8.731 4.318 277 HB2 GLU 33 2HB GLU 33 9.074 8.114 6.056 278 HB3 GLU 33 1HB GLU 33 8.646 6.414 5.870 279 HG2 GLU 33 2HG GLU 33 10.416 6.406 4.425 280 HG3 GLU 33 1HG GLU 33 9.221 7.045 3.295 281 H LEU 34 H LEU 34 5.873 5.774 5.247 282 HA LEU 34 HA LEU 34 6.264 4.376 2.708 283 HB2 LEU 34 2HB LEU 34 5.636 3.684 5.273 284 HB3 LEU 34 1HB LEU 34 4.039 3.668 4.526 285 HG LEU 34 HG LEU 34 6.417 2.263 3.294 286 HD11 LEU 34 1HD1 LEU 34 4.559 1.417 5.478 287 HD12 LEU 34 2HD1 LEU 34 6.254 1.001 5.224 288 HD13 LEU 34 3HD1 LEU 34 5.000 0.219 4.261 289 HD21 LEU 34 3HD2 LEU 34 4.865 2.253 1.615 290 HD22 LEU 34 1HD2 LEU 34 3.526 2.570 2.717 291 HD23 LEU 34 2HD2 LEU 34 4.158 0.933 2.547 292 H SER 35 H SER 35 4.194 6.833 3.901 293 HA SER 35 HA SER 35 1.942 6.236 2.105 294 HB2 SER 35 2HB SER 35 0.884 7.942 3.317 295 HB3 SER 35 1HB SER 35 1.991 7.245 4.502 296 HG SER 35 HG SER 35 2.668 9.234 4.644 297 H LYS 36 H LYS 36 4.429 8.792 2.426 298 HA LYS 36 HA LYS 36 3.565 10.142 -0.021 299 HB2 LYS 36 2HB LYS 36 5.433 11.620 0.538 300 HB3 LYS 36 1HB LYS 36 4.546 11.228 2.010 301 HG2 LYS 36 2HG LYS 36 6.214 9.340 2.368 302 HG3 LYS 36 1HG LYS 36 7.166 10.049 1.064 303 HD2 LYS 36 2HD LYS 36 6.748 12.265 2.540 304 HD3 LYS 36 1HD LYS 36 6.685 11.054 3.823 305 HE2 LYS 36 2HE LYS 36 8.903 10.366 3.460 306 HE3 LYS 36 1HE LYS 36 8.922 10.993 1.800 307 HZ1 LYS 36 3HZ LYS 36 8.457 12.789 4.097 308 HZ2 LYS 36 1HZ LYS 36 9.001 13.180 2.539 309 HZ3 LYS 36 2HZ LYS 36 10.040 12.389 3.626 310 H ARG 37 H ARG 37 6.247 7.997 0.898 311 HA ARG 37 HA ARG 37 7.827 8.215 -1.428 312 HB2 ARG 37 2HB ARG 37 7.261 6.070 0.604 313 HB3 ARG 37 1HB ARG 37 8.373 5.753 -0.729 314 HG2 ARG 37 2HG ARG 37 9.494 7.990 -0.032 315 HG3 ARG 37 1HG ARG 37 8.619 7.776 1.486 316 HD2 ARG 37 2HD ARG 37 9.795 5.815 2.037 317 HD3 ARG 37 1HD ARG 37 10.260 5.512 0.352 318 HE ARG 37 HE ARG 37 11.279 8.056 1.331 319 HH11 ARG 37 1HH1 ARG 37 12.324 5.488 -0.320 320 HH12 ARG 37 2HH1 ARG 37 13.784 5.208 0.569 321 HH21 ARG 37 1HH2 ARG 37 12.926 7.337 3.166 322 HH22 ARG 37 2HH2 ARG 37 14.127 6.256 2.541 323 H VAL 38 H VAL 38 4.724 6.847 -1.044 324 HA VAL 38 HA VAL 38 4.993 5.373 -3.627 325 HB VAL 38 HB VAL 38 2.730 4.413 -2.728 326 HG11 VAL 38 1HG1 VAL 38 3.931 2.619 -1.954 327 HG12 VAL 38 2HG1 VAL 38 4.964 3.620 -0.934 328 HG13 VAL 38 3HG1 VAL 38 5.273 3.514 -2.666 329 HG21 VAL 38 3HG2 VAL 38 2.409 4.585 -0.355 330 HG22 VAL 38 1HG2 VAL 38 2.627 6.228 -0.953 331 HG23 VAL 38 2HG2 VAL 38 3.956 5.403 -0.148 332 H GLY 39 H GLY 39 3.639 8.138 -2.160 333 HA2 GLY 39 2HA GLY 39 2.676 9.929 -3.444 334 HA3 GLY 39 1HA GLY 39 2.226 8.762 -4.685 335 H LEU 40 H LEU 40 1.557 8.447 -1.204 336 HA LEU 40 HA LEU 40 -1.307 9.114 -1.664 337 HB2 LEU 40 2HB LEU 40 -1.783 6.840 -0.451 338 HB3 LEU 40 1HB LEU 40 -1.407 6.814 -2.176 339 HG LEU 40 HG LEU 40 0.982 6.746 -0.517 340 HD11 LEU 40 1HD1 LEU 40 0.160 5.359 1.091 341 HD12 LEU 40 2HD1 LEU 40 0.247 4.127 -0.167 342 HD13 LEU 40 3HD1 LEU 40 -1.274 4.965 0.144 343 HD21 LEU 40 3HD2 LEU 40 1.057 4.505 -1.980 344 HD22 LEU 40 1HD2 LEU 40 1.374 6.085 -2.692 345 HD23 LEU 40 2HD2 LEU 40 -0.216 5.345 -2.860 346 H SER 41 H SER 41 -2.492 9.264 0.397 347 HA SER 41 HA SER 41 -0.954 10.449 2.535 348 HB2 SER 41 2HB SER 41 -3.788 9.455 2.183 349 HB3 SER 41 1HB SER 41 -3.239 10.162 3.699 350 HG SER 41 HG SER 41 -2.527 11.980 2.348 351 HA PRO 42 HA PRO 42 0.114 6.888 4.702 352 HB2 PRO 42 2HB PRO 42 0.014 7.739 7.297 353 HB3 PRO 42 1HB PRO 42 1.277 8.239 6.157 354 HG2 PRO 42 2HG PRO 42 -1.138 9.713 7.070 355 HG3 PRO 42 1HG PRO 42 0.484 10.319 6.705 356 HD2 PRO 42 2HD PRO 42 -1.669 10.526 5.003 357 HD3 PRO 42 1HD PRO 42 0.030 10.550 4.480 358 H THR 43 H THR 43 -2.705 8.542 6.154 359 HA THR 43 HA THR 43 -3.902 6.601 7.674 360 HB THR 43 HB THR 43 -4.851 8.659 5.731 361 HG1 THR 43 1HG THR 43 -5.069 9.614 7.565 362 HG21 THR 43 3HG2 THR 43 -6.741 6.666 7.020 363 HG22 THR 43 1HG2 THR 43 -6.370 6.734 5.299 364 HG23 THR 43 2HG2 THR 43 -7.207 8.078 6.073 365 HA PRO 44 HA PRO 44 -5.586 4.183 3.927 366 HB2 PRO 44 2HB PRO 44 -4.951 5.052 1.406 367 HB3 PRO 44 1HB PRO 44 -6.377 5.629 2.290 368 HG2 PRO 44 2HG PRO 44 -3.734 6.945 1.891 369 HG3 PRO 44 1HG PRO 44 -5.355 7.656 1.921 370 HD2 PRO 44 2HD PRO 44 -3.602 7.766 4.027 371 HD3 PRO 44 1HD PRO 44 -5.369 7.840 4.201 372 H CYS 45 H CYS 45 -2.404 5.697 3.280 373 HA CYS 45 HA CYS 45 -1.014 3.796 1.854 374 HB2 CYS 45 2HB CYS 45 -0.022 5.816 2.861 375 HB3 CYS 45 1HB CYS 45 -0.205 5.114 4.468 376 HG CYS 45 HG CYS 45 1.756 3.984 2.308 377 H LEU 46 H LEU 46 -1.668 3.641 5.344 378 HA LEU 46 HA LEU 46 -0.638 1.026 5.797 379 HB2 LEU 46 2HB LEU 46 -2.953 2.535 7.060 380 HB3 LEU 46 1HB LEU 46 -2.091 1.181 7.796 381 HG LEU 46 HG LEU 46 -0.132 3.046 6.943 382 HD11 LEU 46 1HD1 LEU 46 -2.489 4.431 7.333 383 HD12 LEU 46 2HD1 LEU 46 -0.870 5.120 7.467 384 HD13 LEU 46 3HD1 LEU 46 -1.708 4.546 8.911 385 HD21 LEU 46 3HD2 LEU 46 -0.821 3.048 9.797 386 HD22 LEU 46 1HD2 LEU 46 0.676 2.558 9.001 387 HD23 LEU 46 2HD2 LEU 46 -0.676 1.432 9.108 388 H GLU 47 H GLU 47 -3.983 2.131 5.150 389 HA GLU 47 HA GLU 47 -5.329 -0.286 4.986 390 HB2 GLU 47 2HB GLU 47 -5.473 2.378 3.741 391 HB3 GLU 47 1HB GLU 47 -6.259 1.114 2.795 392 HG2 GLU 47 2HG GLU 47 -7.020 0.599 5.442 393 HG3 GLU 47 1HG GLU 47 -7.123 2.352 5.280 394 H ARG 48 H ARG 48 -3.086 1.135 2.638 395 HA ARG 48 HA ARG 48 -3.423 -0.919 0.614 396 HB2 ARG 48 2HB ARG 48 -1.096 0.960 1.136 397 HB3 ARG 48 1HB ARG 48 -1.531 0.223 -0.409 398 HG2 ARG 48 2HG ARG 48 -3.631 1.836 0.967 399 HG3 ARG 48 1HG ARG 48 -2.287 2.716 0.240 400 HD2 ARG 48 2HD ARG 48 -3.351 2.508 -1.754 401 HD3 ARG 48 1HD ARG 48 -3.035 0.765 -1.665 402 HE ARG 48 HE ARG 48 -5.267 1.411 0.014 403 HH11 ARG 48 1HH2 ARG 48 -4.286 0.239 -3.012 404 HH12 ARG 48 2HH2 ARG 48 -5.871 0.248 -3.709 405 HH21 ARG 48 1HH1 ARG 48 -7.344 1.829 -0.996 406 HH22 ARG 48 2HH1 ARG 48 -7.603 1.149 -2.569 407 H VAL 49 H VAL 49 -0.674 -0.168 2.786 408 HA VAL 49 HA VAL 49 0.793 -2.553 2.404 409 HB VAL 49 HB VAL 49 0.479 -0.446 4.521 410 HG11 VAL 49 1HG1 VAL 49 2.123 -2.978 4.912 411 HG12 VAL 49 2HG1 VAL 49 0.658 -2.573 5.805 412 HG13 VAL 49 3HG1 VAL 49 2.102 -1.579 5.987 413 HG21 VAL 49 3HG2 VAL 49 2.978 -1.559 3.230 414 HG22 VAL 49 1HG2 VAL 49 2.746 0.026 3.966 415 HG23 VAL 49 2HG2 VAL 49 1.968 -0.354 2.431 416 H ARG 50 H ARG 50 -1.776 -1.816 4.765 417 HA ARG 50 HA ARG 50 -1.832 -4.164 6.264 418 HB2 ARG 50 2HB ARG 50 -4.140 -2.556 5.131 419 HB3 ARG 50 1HB ARG 50 -4.232 -3.615 6.540 420 HG2 ARG 50 2HG ARG 50 -2.109 -1.518 6.538 421 HG3 ARG 50 1HG ARG 50 -3.772 -0.988 6.786 422 HD2 ARG 50 2HD ARG 50 -3.799 -3.038 8.487 423 HD3 ARG 50 1HD ARG 50 -2.055 -2.714 8.519 424 HE ARG 50 HE ARG 50 -2.531 -0.461 9.301 425 HH11 ARG 50 1HH2 ARG 50 -5.196 -0.182 7.867 426 HH12 ARG 50 2HH2 ARG 50 -6.301 -0.179 9.200 427 HH21 ARG 50 1HH1 ARG 50 -3.994 -1.444 11.459 428 HH22 ARG 50 2HH1 ARG 50 -5.621 -0.893 11.234 429 H ARG 51 H ARG 51 -3.505 -3.552 3.188 430 HA ARG 51 HA ARG 51 -4.685 -6.066 2.773 431 HB2 ARG 51 2HB ARG 51 -5.242 -4.839 0.946 432 HB3 ARG 51 1HB ARG 51 -3.935 -3.704 1.279 433 HG2 ARG 51 2HG ARG 51 -3.532 -4.637 -0.908 434 HG3 ARG 51 1HG ARG 51 -2.353 -5.351 0.190 435 HD2 ARG 51 2HD ARG 51 -3.118 -7.290 -0.840 436 HD3 ARG 51 1HD ARG 51 -4.323 -7.175 0.459 437 HE ARG 51 HE ARG 51 -5.834 -6.050 -1.150 438 HH11 ARG 51 1HH1 ARG 51 -5.055 -8.759 -2.328 439 HH12 ARG 51 2HH1 ARG 51 -4.719 -8.322 -3.969 440 HH21 ARG 51 1HH2 ARG 51 -4.496 -4.928 -3.299 441 HH22 ARG 51 2HH2 ARG 51 -4.399 -6.153 -4.519 442 H LEU 52 H LEU 52 -1.335 -5.019 2.279 443 HA LEU 52 HA LEU 52 -0.441 -7.502 1.072 444 HB2 LEU 52 2HB LEU 52 0.971 -5.214 2.472 445 HB3 LEU 52 1HB LEU 52 1.794 -6.480 1.563 446 HG LEU 52 HG LEU 52 -0.390 -4.779 0.351 447 HD11 LEU 52 1HD1 LEU 52 2.459 -4.166 0.875 448 HD12 LEU 52 2HD1 LEU 52 1.107 -3.073 0.578 449 HD13 LEU 52 3HD1 LEU 52 1.916 -3.864 -0.776 450 HD21 LEU 52 3HD2 LEU 52 -0.001 -5.997 -1.516 451 HD22 LEU 52 1HD2 LEU 52 0.887 -7.111 -0.478 452 HD23 LEU 52 2HD2 LEU 52 1.746 -5.835 -1.341 453 H GLU 53 H GLU 53 -1.064 -6.465 4.318 454 HA GLU 53 HA GLU 53 0.739 -8.312 5.660 455 HB2 GLU 53 2HB GLU 53 -1.201 -6.236 6.254 456 HB3 GLU 53 1HB GLU 53 -1.426 -7.613 7.332 457 HG2 GLU 53 2HG GLU 53 1.270 -7.439 7.391 458 HG3 GLU 53 1HG GLU 53 0.872 -5.744 7.104 459 H ARG 54 H ARG 54 -2.844 -8.270 5.404 460 HA ARG 54 HA ARG 54 -3.375 -10.810 6.466 461 HB2 ARG 54 2HB ARG 54 -5.412 -10.646 4.940 462 HB3 ARG 54 1HB ARG 54 -5.118 -9.231 5.952 463 HG2 ARG 54 2HG ARG 54 -5.042 -7.965 4.093 464 HG3 ARG 54 1HG ARG 54 -3.605 -8.853 3.587 465 HD2 ARG 54 2HD ARG 54 -5.475 -8.922 1.889 466 HD3 ARG 54 1HD ARG 54 -4.997 -10.531 2.462 467 HE ARG 54 HE ARG 54 -7.137 -10.709 3.435 468 HH11 ARG 54 1HH2 ARG 54 -7.992 -8.332 1.706 469 HH12 ARG 54 2HH2 ARG 54 -8.694 -7.293 2.901 470 HH21 ARG 54 1HH1 ARG 54 -7.272 -8.973 5.580 471 HH22 ARG 54 2HH1 ARG 54 -8.286 -7.656 5.094 472 H GLN 55 H GLN 55 -1.918 -10.000 3.406 473 HA GLN 55 HA GLN 55 -2.396 -12.691 2.268 474 HB2 GLN 55 2HB GLN 55 -0.920 -10.214 1.317 475 HB3 GLN 55 1HB GLN 55 -1.168 -11.661 0.339 476 HG2 GLN 55 2HG GLN 55 -3.409 -10.033 1.575 477 HG3 GLN 55 1HG GLN 55 -2.870 -9.875 -0.098 478 HE21 GLN 55 1HE2 GLN 55 -2.517 -12.476 -0.938 479 HE22 GLN 55 2HE2 GLN 55 -3.962 -13.356 -0.801 480 H GLY 56 H GLY 56 -0.528 -11.919 4.688 481 HA2 GLY 56 2HA GLY 56 1.569 -12.607 5.493 482 HA3 GLY 56 1HA GLY 56 1.378 -13.968 4.385 483 H PHE 57 H PHE 57 1.815 -10.464 3.814 484 HA PHE 57 HA PHE 57 4.252 -11.149 2.204 485 HB2 PHE 57 2HB PHE 57 1.829 -9.459 1.629 486 HB3 PHE 57 1HB PHE 57 3.356 -9.092 0.832 487 HD1 PHE 57 2HD PHE 57 4.534 -11.758 0.455 488 HD2 PHE 57 1HD PHE 57 0.470 -10.448 -0.016 489 HE1 PHE 57 2HE PHE 57 4.129 -13.596 -1.159 490 HE2 PHE 57 1HE PHE 57 0.065 -12.286 -1.632 491 HZ PHE 57 HZ PHE 57 1.895 -13.860 -2.204 492 H ILE 58 H ILE 58 3.339 -9.738 4.970 493 HA ILE 58 HA ILE 58 5.456 -7.637 4.769 494 HB ILE 58 HB ILE 58 2.850 -7.270 6.255 495 HG12 ILE 58 2HG1 ILE 58 2.519 -7.735 3.757 496 HG13 ILE 58 1HG1 ILE 58 1.902 -6.189 4.338 497 HG21 ILE 58 1HG2 ILE 58 3.444 -4.909 6.086 498 HG22 ILE 58 2HG2 ILE 58 4.836 -5.303 5.075 499 HG23 ILE 58 3HG2 ILE 58 4.805 -5.800 6.767 500 HD11 ILE 58 3HD1 ILE 58 3.437 -4.984 3.158 501 HD12 ILE 58 1HD1 ILE 58 3.552 -6.446 2.179 502 HD13 ILE 58 2HD1 ILE 58 4.726 -6.150 3.461 503 H GLN 59 H GLN 59 5.459 -10.366 5.924 504 HA GLN 59 HA GLN 59 5.277 -10.114 8.821 505 HB2 GLN 59 2HB GLN 59 6.255 -12.386 8.723 506 HB3 GLN 59 1HB GLN 59 4.950 -12.222 7.549 507 HG2 GLN 59 2HG GLN 59 6.359 -12.660 5.849 508 HG3 GLN 59 1HG GLN 59 7.441 -11.367 6.367 509 HE21 GLN 59 1HE2 GLN 59 8.837 -13.458 5.430 510 HE22 GLN 59 2HE2 GLN 59 9.461 -14.434 6.671 511 H GLY 60 H GLY 60 7.514 -9.073 6.522 512 HA2 GLY 60 2HA GLY 60 9.593 -8.760 8.641 513 HA3 GLY 60 1HA GLY 60 10.047 -9.295 7.021 514 H TYR 61 H TYR 61 8.277 -7.632 5.537 515 HA TYR 61 HA TYR 61 9.784 -5.241 5.258 516 HB2 TYR 61 2HB TYR 61 6.889 -5.835 4.561 517 HB3 TYR 61 1HB TYR 61 7.882 -4.576 3.830 518 HD1 TYR 61 1HD TYR 61 10.405 -6.611 4.149 519 HD2 TYR 61 2HD TYR 61 6.576 -6.719 2.204 520 HE1 TYR 61 1HE TYR 61 11.283 -8.253 2.512 521 HE2 TYR 61 2HE TYR 61 7.454 -8.361 0.567 522 HH TYR 61 HH TYR 61 10.808 -9.555 0.780 523 H THR 62 H THR 62 6.693 -4.051 5.424 524 HA THR 62 HA THR 62 7.333 -2.575 7.891 525 HB THR 62 HB THR 62 6.455 -1.597 5.721 526 HG1 THR 62 1HG THR 62 5.488 -1.183 8.269 527 HG21 THR 62 3HG2 THR 62 4.776 -3.351 5.273 528 HG22 THR 62 1HG2 THR 62 4.035 -1.754 5.332 529 HG23 THR 62 2HG2 THR 62 3.882 -2.846 6.708 530 H ALA 63 H ALA 63 6.675 -5.415 8.123 531 HA ALA 63 HA ALA 63 4.167 -6.254 8.781 532 HB1 ALA 63 1HB ALA 63 5.959 -6.631 11.056 533 HB2 ALA 63 2HB ALA 63 6.805 -6.853 9.525 534 HB3 ALA 63 3HB ALA 63 5.378 -7.821 9.893 535 H LEU 64 H LEU 64 6.038 -3.791 10.459 536 HA LEU 64 HA LEU 64 4.220 -3.399 12.682 537 HB2 LEU 64 2HB LEU 64 5.604 -1.314 12.903 538 HB3 LEU 64 1HB LEU 64 6.593 -2.760 12.707 539 HG LEU 64 HG LEU 64 5.847 -1.594 10.129 540 HD11 LEU 64 1HD1 LEU 64 7.562 0.323 10.500 541 HD12 LEU 64 2HD1 LEU 64 7.215 0.107 12.216 542 HD13 LEU 64 3HD1 LEU 64 5.921 0.556 11.105 543 HD21 LEU 64 3HD2 LEU 64 7.752 -3.262 10.994 544 HD22 LEU 64 1HD2 LEU 64 8.650 -1.754 11.166 545 HD23 LEU 64 2HD2 LEU 64 8.007 -2.223 9.593 546 H LEU 65 H LEU 65 4.295 -0.388 12.122 547 HA LEU 65 HA LEU 65 2.791 1.203 11.255 548 HB2 LEU 65 2HB LEU 65 3.633 1.137 9.136 549 HB3 LEU 65 1HB LEU 65 3.757 -0.618 9.165 550 HG LEU 65 HG LEU 65 1.082 0.721 8.828 551 HD11 LEU 65 1HD1 LEU 65 3.239 0.273 6.776 552 HD12 LEU 65 2HD1 LEU 65 2.249 1.709 7.035 553 HD13 LEU 65 3HD1 LEU 65 1.535 0.264 6.318 554 HD21 LEU 65 3HD2 LEU 65 2.302 -1.983 8.343 555 HD22 LEU 65 1HD2 LEU 65 0.884 -1.487 7.419 556 HD23 LEU 65 2HD2 LEU 65 0.801 -1.580 9.177 557 H ASN 66 H ASN 66 1.790 -1.635 12.374 558 HA ASN 66 HA ASN 66 -1.041 -1.295 11.441 559 HB2 ASN 66 2HB ASN 66 -0.006 -3.416 10.778 560 HB3 ASN 66 1HB ASN 66 0.489 -3.720 12.444 561 HD21 ASN 66 1HD2 ASN 66 -2.493 -3.133 10.500 562 HD22 ASN 66 2HD2 ASN 66 -3.488 -4.118 11.460 Start of MODEL 12 1 H1 MET 1 1HT MET 1 16.132 -12.808 -16.382 2 H2 MET 1 2HT MET 1 14.665 -12.298 -17.070 3 H3 MET 1 3HT MET 1 14.668 -13.481 -15.852 4 HA MET 1 HA MET 1 15.820 -10.838 -15.256 5 HB2 MET 1 2HB MET 1 13.346 -11.118 -16.439 6 HB3 MET 1 1HB MET 1 12.941 -11.200 -14.724 7 HG2 MET 1 2HG MET 1 14.846 -9.120 -15.007 8 HG3 MET 1 1HG MET 1 13.656 -8.893 -16.289 9 HE1 MET 1 2HE MET 1 10.959 -8.321 -15.760 10 HE2 MET 1 3HE MET 1 10.319 -9.159 -14.348 11 HE3 MET 1 1HE MET 1 11.278 -10.041 -15.544 12 H VAL 2 H VAL 2 16.575 -11.076 -13.193 13 HA VAL 2 HA VAL 2 16.171 -13.380 -11.572 14 HB VAL 2 HB VAL 2 17.217 -11.922 -9.831 15 HG11 VAL 2 1HG1 VAL 2 18.266 -11.903 -12.660 16 HG12 VAL 2 2HG1 VAL 2 18.792 -12.892 -11.298 17 HG13 VAL 2 3HG1 VAL 2 19.189 -11.175 -11.345 18 HG21 VAL 2 3HG2 VAL 2 17.793 -9.579 -11.209 19 HG22 VAL 2 1HG2 VAL 2 16.607 -9.741 -9.913 20 HG23 VAL 2 2HG2 VAL 2 16.097 -9.869 -11.597 21 H ASP 3 H ASP 3 14.281 -13.976 -10.590 22 HA ASP 3 HA ASP 3 12.107 -12.069 -10.143 23 HB2 ASP 3 2HB ASP 3 11.930 -14.505 -10.834 24 HB3 ASP 3 1HB ASP 3 12.429 -14.934 -9.197 25 H SER 4 H SER 4 11.895 -10.848 -8.308 26 HA SER 4 HA SER 4 12.943 -11.924 -5.729 27 HB2 SER 4 2HB SER 4 14.471 -10.291 -7.174 28 HB3 SER 4 1HB SER 4 13.435 -9.058 -6.461 29 HG SER 4 HG SER 4 15.443 -10.477 -5.345 30 H LYS 5 H LYS 5 12.049 -10.694 -3.854 31 HA LYS 5 HA LYS 5 10.316 -9.549 -2.716 32 HB2 LYS 5 2HB LYS 5 10.769 -8.221 -5.189 33 HB3 LYS 5 1HB LYS 5 9.021 -8.325 -4.978 34 HG2 LYS 5 2HG LYS 5 9.091 -6.692 -3.431 35 HG3 LYS 5 1HG LYS 5 10.207 -7.648 -2.455 36 HD2 LYS 5 2HD LYS 5 11.218 -5.480 -3.039 37 HD3 LYS 5 1HD LYS 5 12.100 -6.801 -3.810 38 HE2 LYS 5 2HE LYS 5 10.601 -6.405 -5.864 39 HE3 LYS 5 1HE LYS 5 10.141 -4.878 -5.085 40 HZ1 LYS 5 3HZ LYS 5 12.978 -5.554 -5.111 41 HZ2 LYS 5 1HZ LYS 5 12.226 -4.042 -5.266 42 HZ3 LYS 5 2HZ LYS 5 12.300 -5.094 -6.598 43 H LYS 6 H LYS 6 9.054 -10.468 -5.954 44 HA LYS 6 HA LYS 6 7.241 -11.878 -6.523 45 HB2 LYS 6 2HB LYS 6 7.483 -12.808 -3.653 46 HB3 LYS 6 1HB LYS 6 6.870 -13.728 -5.026 47 HG2 LYS 6 2HG LYS 6 9.029 -13.916 -6.004 48 HG3 LYS 6 1HG LYS 6 9.696 -12.659 -4.960 49 HD2 LYS 6 2HD LYS 6 10.425 -14.838 -4.143 50 HD3 LYS 6 1HD LYS 6 9.286 -14.142 -2.989 51 HE2 LYS 6 2HE LYS 6 7.730 -15.772 -3.368 52 HE3 LYS 6 1HE LYS 6 8.034 -15.777 -5.116 53 HZ1 LYS 6 3HZ LYS 6 9.947 -16.839 -3.109 54 HZ2 LYS 6 1HZ LYS 6 10.041 -16.989 -4.796 55 HZ3 LYS 6 2HZ LYS 6 8.829 -17.813 -3.937 56 H ARG 7 H ARG 7 6.660 -11.155 -3.081 57 HA ARG 7 HA ARG 7 4.684 -10.320 -2.050 58 HB2 ARG 7 2HB ARG 7 4.354 -8.473 -4.372 59 HB3 ARG 7 1HB ARG 7 4.491 -8.096 -2.655 60 HG2 ARG 7 2HG ARG 7 6.929 -8.661 -2.775 61 HG3 ARG 7 1HG ARG 7 6.755 -8.864 -4.517 62 HD2 ARG 7 2HD ARG 7 5.580 -6.346 -3.695 63 HD3 ARG 7 1HD ARG 7 7.271 -6.450 -3.166 64 HE ARG 7 HE ARG 7 7.918 -6.453 -5.441 65 HH11 ARG 7 1HH2 ARG 7 5.346 -5.018 -6.061 66 HH12 ARG 7 2HH2 ARG 7 4.680 -6.008 -7.316 67 HH21 ARG 7 1HH1 ARG 7 6.740 -8.715 -6.635 68 HH22 ARG 7 2HH1 ARG 7 5.469 -8.103 -7.641 69 HA PRO 8 HA PRO 8 0.993 -11.673 -4.048 70 HB2 PRO 8 2HB PRO 8 -0.758 -9.576 -4.278 71 HB3 PRO 8 1HB PRO 8 -0.390 -10.368 -2.734 72 HG2 PRO 8 2HG PRO 8 0.609 -7.792 -3.827 73 HG3 PRO 8 1HG PRO 8 0.227 -8.240 -2.159 74 HD2 PRO 8 2HD PRO 8 2.770 -8.104 -3.183 75 HD3 PRO 8 1HD PRO 8 2.314 -9.092 -1.783 76 H GLY 9 H GLY 9 2.828 -11.420 -5.951 77 HA2 GLY 9 2HA GLY 9 2.707 -9.682 -8.068 78 HA3 GLY 9 1HA GLY 9 2.917 -11.417 -8.315 79 H LYS 10 H LYS 10 0.463 -12.433 -7.603 80 HA LYS 10 HA LYS 10 -1.169 -11.793 -9.904 81 HB2 LYS 10 2HB LYS 10 -1.016 -14.016 -8.836 82 HB3 LYS 10 1HB LYS 10 -1.726 -13.360 -7.361 83 HG2 LYS 10 2HG LYS 10 -3.757 -13.844 -8.208 84 HG3 LYS 10 1HG LYS 10 -3.478 -12.606 -9.433 85 HD2 LYS 10 2HD LYS 10 -2.456 -14.242 -10.920 86 HD3 LYS 10 1HD LYS 10 -2.573 -15.490 -9.678 87 HE2 LYS 10 2HE LYS 10 -5.172 -14.279 -10.085 88 HE3 LYS 10 1HE LYS 10 -4.522 -14.870 -11.626 89 HZ1 LYS 10 3HZ LYS 10 -5.677 -16.469 -9.844 90 HZ2 LYS 10 1HZ LYS 10 -4.073 -16.557 -9.299 91 HZ3 LYS 10 2HZ LYS 10 -4.450 -16.993 -10.896 92 H ASP 11 H ASP 11 -2.617 -10.127 -10.059 93 HA ASP 11 HA ASP 11 -4.027 -8.341 -9.406 94 HB2 ASP 11 2HB ASP 11 -4.598 -10.759 -7.858 95 HB3 ASP 11 1HB ASP 11 -5.103 -9.293 -7.015 96 H LEU 12 H LEU 12 -2.428 -6.755 -8.870 97 HA LEU 12 HA LEU 12 -1.921 -6.461 -5.930 98 HB2 LEU 12 2HB LEU 12 -0.095 -7.069 -8.027 99 HB3 LEU 12 1HB LEU 12 0.228 -5.407 -7.532 100 HG LEU 12 HG LEU 12 -0.076 -7.667 -5.547 101 HD11 LEU 12 1HD1 LEU 12 2.532 -6.516 -6.563 102 HD12 LEU 12 2HD1 LEU 12 1.828 -7.994 -7.217 103 HD13 LEU 12 3HD1 LEU 12 2.304 -7.919 -5.520 104 HD21 LEU 12 3HD2 LEU 12 1.514 -5.848 -4.377 105 HD22 LEU 12 1HD2 LEU 12 -0.245 -5.727 -4.308 106 HD23 LEU 12 2HD2 LEU 12 0.659 -4.773 -5.484 107 H ASP 13 H ASP 13 -1.960 -4.300 -5.192 108 HA ASP 13 HA ASP 13 -3.158 -2.332 -7.056 109 HB2 ASP 13 2HB ASP 13 -2.839 -2.717 -4.100 110 HB3 ASP 13 1HB ASP 13 -3.116 -1.081 -4.700 111 H ARG 14 H ARG 14 -2.025 -0.615 -7.864 112 HA ARG 14 HA ARG 14 0.711 -0.424 -8.039 113 HB2 ARG 14 2HB ARG 14 -1.374 1.005 -8.918 114 HB3 ARG 14 1HB ARG 14 -0.841 2.102 -7.645 115 HG2 ARG 14 2HG ARG 14 0.262 2.699 -9.741 116 HG3 ARG 14 1HG ARG 14 1.457 2.052 -8.615 117 HD2 ARG 14 2HD ARG 14 1.794 0.141 -9.863 118 HD3 ARG 14 1HD ARG 14 0.110 0.091 -10.424 119 HE ARG 14 HE ARG 14 2.222 1.898 -11.521 120 HH11 ARG 14 1HH1 ARG 14 -1.124 1.455 -11.311 121 HH12 ARG 14 2HH1 ARG 14 -1.413 1.583 -13.014 122 HH21 ARG 14 1HH2 ARG 14 1.951 1.645 -13.850 123 HH22 ARG 14 2HH2 ARG 14 0.327 1.691 -14.451 124 H ILE 15 H ILE 15 -1.299 0.717 -5.352 125 HA ILE 15 HA ILE 15 0.844 2.106 -3.971 126 HB ILE 15 HB ILE 15 -1.685 0.969 -2.774 127 HG12 ILE 15 2HG1 ILE 15 -2.498 1.967 -4.774 128 HG13 ILE 15 1HG1 ILE 15 -2.679 3.223 -3.550 129 HG21 ILE 15 1HG2 ILE 15 -0.863 2.156 -1.035 130 HG22 ILE 15 2HG2 ILE 15 -1.280 3.597 -1.961 131 HG23 ILE 15 3HG2 ILE 15 0.353 2.936 -2.046 132 HD11 ILE 15 3HD1 ILE 15 -0.558 2.992 -5.688 133 HD12 ILE 15 1HD1 ILE 15 -0.343 4.027 -4.276 134 HD13 ILE 15 2HD1 ILE 15 -1.673 4.328 -5.396 135 H ASP 16 H ASP 16 -0.202 -1.214 -4.137 136 HA ASP 16 HA ASP 16 1.154 -1.969 -1.630 137 HB2 ASP 16 2HB ASP 16 -0.458 -3.295 -3.799 138 HB3 ASP 16 1HB ASP 16 0.465 -4.292 -2.675 139 H ARG 17 H ARG 17 1.526 -2.923 -5.081 140 HA ARG 17 HA ARG 17 3.988 -4.278 -4.768 141 HB2 ARG 17 2HB ARG 17 4.171 -3.899 -7.215 142 HB3 ARG 17 1HB ARG 17 2.536 -4.371 -6.758 143 HG2 ARG 17 2HG ARG 17 1.977 -2.544 -8.017 144 HG3 ARG 17 1HG ARG 17 2.317 -1.689 -6.514 145 HD2 ARG 17 2HD ARG 17 3.516 -0.625 -8.404 146 HD3 ARG 17 1HD ARG 17 4.678 -1.354 -7.279 147 HE ARG 17 HE ARG 17 4.116 -3.417 -9.024 148 HH11 ARG 17 1HH1 ARG 17 3.523 -1.309 -11.069 149 HH12 ARG 17 2HH1 ARG 17 5.076 -1.059 -11.794 150 HH21 ARG 17 1HH2 ARG 17 6.816 -2.597 -9.219 151 HH22 ARG 17 2HH2 ARG 17 6.942 -1.788 -10.745 152 H ASN 18 H ASN 18 3.323 -0.859 -5.304 153 HA ASN 18 HA ASN 18 6.108 -0.092 -5.589 154 HB2 ASN 18 2HB ASN 18 3.826 1.080 -6.239 155 HB3 ASN 18 1HB ASN 18 3.913 1.714 -4.595 156 HD21 ASN 18 1HD2 ASN 18 4.158 3.400 -6.936 157 HD22 ASN 18 2HD2 ASN 18 5.731 4.037 -6.951 158 H ILE 19 H ILE 19 3.750 -0.105 -2.918 159 HA ILE 19 HA ILE 19 5.558 0.979 -0.946 160 HB ILE 19 HB ILE 19 2.967 -0.563 -0.974 161 HG12 ILE 19 2HG1 ILE 19 3.797 2.195 -0.016 162 HG13 ILE 19 1HG1 ILE 19 2.897 1.830 -1.489 163 HG21 ILE 19 1HG2 ILE 19 3.602 -1.420 1.048 164 HG22 ILE 19 2HG2 ILE 19 3.170 0.190 1.623 165 HG23 ILE 19 3HG2 ILE 19 4.855 -0.202 1.284 166 HD11 ILE 19 3HD1 ILE 19 1.992 1.670 1.372 167 HD12 ILE 19 1HD1 ILE 19 1.238 0.630 0.163 168 HD13 ILE 19 2HD1 ILE 19 1.171 2.383 -0.017 169 H LEU 20 H LEU 20 4.870 -2.259 -2.181 170 HA LEU 20 HA LEU 20 6.326 -3.680 -0.099 171 HB2 LEU 20 2HB LEU 20 5.227 -4.258 -2.851 172 HB3 LEU 20 1HB LEU 20 6.222 -5.455 -2.025 173 HG LEU 20 HG LEU 20 3.916 -4.175 -0.590 174 HD11 LEU 20 1HD1 LEU 20 2.740 -4.970 -2.462 175 HD12 LEU 20 2HD1 LEU 20 2.684 -6.347 -1.362 176 HD13 LEU 20 3HD1 LEU 20 3.840 -6.329 -2.693 177 HD21 LEU 20 3HD2 LEU 20 4.931 -5.504 0.963 178 HD22 LEU 20 1HD2 LEU 20 5.758 -6.466 -0.261 179 HD23 LEU 20 2HD2 LEU 20 4.074 -6.806 0.138 180 H ASN 21 H ASN 21 7.093 -2.492 -3.383 181 HA ASN 21 HA ASN 21 9.772 -3.574 -3.459 182 HB2 ASN 21 2HB ASN 21 8.701 -2.961 -5.501 183 HB3 ASN 21 1HB ASN 21 8.260 -1.371 -4.880 184 HD21 ASN 21 1HD2 ASN 21 9.469 0.087 -6.130 185 HD22 ASN 21 2HD2 ASN 21 11.144 -0.025 -6.383 186 H GLU 22 H GLU 22 8.312 -0.684 -2.112 187 HA GLU 22 HA GLU 22 10.854 0.698 -1.663 188 HB2 GLU 22 2HB GLU 22 7.965 1.071 -0.842 189 HB3 GLU 22 1HB GLU 22 9.237 2.148 -0.266 190 HG2 GLU 22 2HG GLU 22 8.422 1.645 -3.140 191 HG3 GLU 22 1HG GLU 22 8.294 3.157 -2.241 192 H LEU 23 H LEU 23 8.764 -1.523 0.071 193 HA LEU 23 HA LEU 23 9.917 -1.081 2.696 194 HB2 LEU 23 2HB LEU 23 7.975 -2.803 1.336 195 HB3 LEU 23 1HB LEU 23 8.889 -3.672 2.569 196 HG LEU 23 HG LEU 23 6.960 -2.722 3.656 197 HD11 LEU 23 1HD1 LEU 23 9.439 -2.360 4.576 198 HD12 LEU 23 2HD1 LEU 23 8.042 -1.693 5.420 199 HD13 LEU 23 3HD1 LEU 23 9.008 -0.663 4.364 200 HD21 LEU 23 3HD2 LEU 23 7.557 -0.488 1.847 201 HD22 LEU 23 1HD2 LEU 23 7.152 0.027 3.483 202 HD23 LEU 23 2HD2 LEU 23 6.021 -0.970 2.567 203 H GLN 24 H GLN 24 10.609 -3.198 -0.048 204 HA GLN 24 HA GLN 24 12.594 -4.821 1.321 205 HB2 GLN 24 2HB GLN 24 11.250 -4.633 -1.209 206 HB3 GLN 24 1HB GLN 24 12.986 -4.718 -1.509 207 HG2 GLN 24 2HG GLN 24 11.516 -6.615 0.339 208 HG3 GLN 24 1HG GLN 24 11.843 -6.967 -1.358 209 HE21 GLN 24 1HE2 GLN 24 12.962 -8.376 1.031 210 HE22 GLN 24 2HE2 GLN 24 14.648 -8.214 0.916 211 H LYS 25 H LYS 25 12.690 -1.966 -0.815 212 HA LYS 25 HA LYS 25 15.594 -1.800 -0.846 213 HB2 LYS 25 2HB LYS 25 15.183 0.061 -2.218 214 HB3 LYS 25 1HB LYS 25 13.715 -0.885 -2.448 215 HG2 LYS 25 2HG LYS 25 12.802 1.194 -1.977 216 HG3 LYS 25 1HG LYS 25 12.876 0.502 -0.359 217 HD2 LYS 25 2HD LYS 25 14.306 2.105 0.313 218 HD3 LYS 25 1HD LYS 25 15.405 1.728 -1.014 219 HE2 LYS 25 2HE LYS 25 12.944 3.211 -1.779 220 HE3 LYS 25 1HE LYS 25 14.128 4.112 -0.812 221 HZ1 LYS 25 3HZ LYS 25 15.833 3.040 -2.377 222 HZ2 LYS 25 1HZ LYS 25 14.925 4.345 -2.968 223 HZ3 LYS 25 2HZ LYS 25 14.513 2.758 -3.408 224 H ASP 26 H ASP 26 13.031 -0.513 1.162 225 HA ASP 26 HA ASP 26 15.129 0.765 2.867 226 HB2 ASP 26 2HB ASP 26 12.879 1.863 1.494 227 HB3 ASP 26 1HB ASP 26 12.534 1.942 3.221 228 H GLY 27 H GLY 27 14.953 -1.578 3.801 229 HA2 GLY 27 2HA GLY 27 12.558 -2.364 5.195 230 HA3 GLY 27 1HA GLY 27 14.168 -3.028 5.477 231 H ARG 28 H ARG 28 12.622 0.171 5.948 232 HA ARG 28 HA ARG 28 12.772 0.122 8.808 233 HB2 ARG 28 2HB ARG 28 14.784 1.538 9.081 234 HB3 ARG 28 1HB ARG 28 15.192 0.026 8.269 235 HG2 ARG 28 2HG ARG 28 14.374 2.128 6.401 236 HG3 ARG 28 1HG ARG 28 15.804 2.562 7.337 237 HD2 ARG 28 2HD ARG 28 15.606 -0.164 6.056 238 HD3 ARG 28 1HD ARG 28 16.168 1.237 5.123 239 HE ARG 28 HE ARG 28 17.753 1.559 7.209 240 HH11 ARG 28 1HH1 ARG 28 17.585 -0.904 4.975 241 HH12 ARG 28 2HH1 ARG 28 18.560 -2.029 5.860 242 HH21 ARG 28 1HH2 ARG 28 18.625 -0.112 8.747 243 HH22 ARG 28 2HH2 ARG 28 19.149 -1.581 7.994 244 H ILE 29 H ILE 29 10.980 1.056 6.716 245 HA ILE 29 HA ILE 29 10.995 4.007 7.249 246 HB ILE 29 HB ILE 29 11.407 3.406 4.910 247 HG12 ILE 29 2HG1 ILE 29 8.632 4.457 5.513 248 HG13 ILE 29 1HG1 ILE 29 10.085 5.390 5.157 249 HG21 ILE 29 1HG2 ILE 29 9.574 1.309 5.528 250 HG22 ILE 29 2HG2 ILE 29 10.486 1.548 4.036 251 HG23 ILE 29 3HG2 ILE 29 8.879 2.253 4.210 252 HD11 ILE 29 3HD1 ILE 29 9.753 3.610 2.987 253 HD12 ILE 29 1HD1 ILE 29 9.508 5.357 2.980 254 HD13 ILE 29 2HD1 ILE 29 8.154 4.278 3.318 255 H SER 30 H SER 30 9.184 4.842 8.207 256 HA SER 30 HA SER 30 7.117 2.998 9.149 257 HB2 SER 30 2HB SER 30 6.340 5.529 9.845 258 HB3 SER 30 1HB SER 30 7.496 4.572 10.768 259 HG SER 30 HG SER 30 9.029 5.864 10.143 260 H ASN 31 H ASN 31 4.800 3.382 8.721 261 HA ASN 31 HA ASN 31 4.050 3.549 6.027 262 HB2 ASN 31 2HB ASN 31 2.663 4.125 8.647 263 HB3 ASN 31 1HB ASN 31 1.788 4.233 7.120 264 HD21 ASN 31 1HD2 ASN 31 1.877 2.200 5.712 265 HD22 ASN 31 2HD2 ASN 31 1.960 0.694 6.492 266 H VAL 32 H VAL 32 4.015 6.224 8.429 267 HA VAL 32 HA VAL 32 2.987 8.317 6.945 268 HB VAL 32 HB VAL 32 5.501 8.252 8.652 269 HG11 VAL 32 1HG1 VAL 32 3.974 10.700 8.785 270 HG12 VAL 32 2HG1 VAL 32 4.430 10.368 7.114 271 HG13 VAL 32 3HG1 VAL 32 5.672 10.478 8.361 272 HG21 VAL 32 3HG2 VAL 32 3.165 9.375 9.906 273 HG22 VAL 32 1HG2 VAL 32 4.106 7.968 10.398 274 HG23 VAL 32 2HG2 VAL 32 2.768 7.781 9.265 275 H GLU 33 H GLU 33 6.504 7.594 6.970 276 HA GLU 33 HA GLU 33 7.091 9.118 4.611 277 HB2 GLU 33 2HB GLU 33 8.579 8.095 6.519 278 HB3 GLU 33 1HB GLU 33 8.591 6.656 5.500 279 HG2 GLU 33 2HG GLU 33 10.280 7.605 4.345 280 HG3 GLU 33 1HG GLU 33 9.106 8.771 3.737 281 H LEU 34 H LEU 34 6.063 5.804 5.193 282 HA LEU 34 HA LEU 34 6.467 4.784 2.531 283 HB2 LEU 34 2HB LEU 34 5.782 3.828 5.016 284 HB3 LEU 34 1HB LEU 34 4.251 3.713 4.149 285 HG LEU 34 HG LEU 34 6.904 2.496 3.350 286 HD11 LEU 34 1HD1 LEU 34 5.974 0.902 4.712 287 HD12 LEU 34 2HD1 LEU 34 5.064 0.516 3.251 288 HD13 LEU 34 3HD1 LEU 34 4.339 1.528 4.501 289 HD21 LEU 34 3HD2 LEU 34 4.292 2.414 1.813 290 HD22 LEU 34 1HD2 LEU 34 5.855 1.780 1.299 291 HD23 LEU 34 2HD2 LEU 34 5.609 3.522 1.425 292 H SER 35 H SER 35 4.209 6.968 3.880 293 HA SER 35 HA SER 35 2.026 6.384 2.004 294 HB2 SER 35 2HB SER 35 0.861 7.933 3.318 295 HB3 SER 35 1HB SER 35 2.003 7.232 4.465 296 HG SER 35 HG SER 35 2.199 9.412 4.672 297 H LYS 36 H LYS 36 4.214 9.161 2.604 298 HA LYS 36 HA LYS 36 3.348 10.569 0.207 299 HB2 LYS 36 2HB LYS 36 5.500 10.862 2.299 300 HB3 LYS 36 1HB LYS 36 5.439 11.952 0.913 301 HG2 LYS 36 2HG LYS 36 3.390 12.870 1.553 302 HG3 LYS 36 1HG LYS 36 2.944 11.457 2.509 303 HD2 LYS 36 2HD LYS 36 5.323 12.427 3.663 304 HD3 LYS 36 1HD LYS 36 4.333 13.852 3.349 305 HE2 LYS 36 2HE LYS 36 2.420 12.762 4.515 306 HE3 LYS 36 1HE LYS 36 3.466 11.376 4.884 307 HZ1 LYS 36 3HZ LYS 36 4.077 14.197 5.594 308 HZ2 LYS 36 1HZ LYS 36 4.996 12.833 6.010 309 HZ3 LYS 36 2HZ LYS 36 3.449 13.050 6.679 310 H ARG 37 H ARG 37 5.696 8.087 0.799 311 HA ARG 37 HA ARG 37 7.477 8.820 -1.390 312 HB2 ARG 37 2HB ARG 37 8.714 7.514 -0.004 313 HB3 ARG 37 1HB ARG 37 7.267 6.894 0.786 314 HG2 ARG 37 2HG ARG 37 7.060 5.105 -0.697 315 HG3 ARG 37 1HG ARG 37 8.003 5.908 -1.953 316 HD2 ARG 37 2HD ARG 37 9.301 5.202 0.676 317 HD3 ARG 37 1HD ARG 37 9.151 3.986 -0.610 318 HE ARG 37 HE ARG 37 10.155 5.990 -2.059 319 HH11 ARG 37 1HH2 ARG 37 10.674 6.368 1.209 320 HH12 ARG 37 2HH2 ARG 37 12.405 6.358 1.126 321 HH21 ARG 37 1HH1 ARG 37 12.504 5.393 -2.204 322 HH22 ARG 37 2HH1 ARG 37 13.441 5.809 -0.808 323 H VAL 38 H VAL 38 4.486 7.178 -1.150 324 HA VAL 38 HA VAL 38 4.898 5.916 -3.831 325 HB VAL 38 HB VAL 38 2.645 4.772 -2.943 326 HG11 VAL 38 1HG1 VAL 38 4.706 3.484 -1.461 327 HG12 VAL 38 2HG1 VAL 38 5.440 4.144 -2.923 328 HG13 VAL 38 3HG1 VAL 38 4.071 3.039 -3.045 329 HG21 VAL 38 3HG2 VAL 38 4.131 5.520 -0.409 330 HG22 VAL 38 1HG2 VAL 38 2.696 4.501 -0.511 331 HG23 VAL 38 2HG2 VAL 38 2.592 6.216 -0.907 332 H GLY 39 H GLY 39 3.536 8.582 -2.356 333 HA2 GLY 39 2HA GLY 39 2.346 10.303 -3.500 334 HA3 GLY 39 1HA GLY 39 1.931 9.143 -4.761 335 H LEU 40 H LEU 40 1.414 8.868 -1.238 336 HA LEU 40 HA LEU 40 -1.502 9.258 -1.589 337 HB2 LEU 40 2HB LEU 40 -1.793 6.937 -0.457 338 HB3 LEU 40 1HB LEU 40 -1.389 6.961 -2.175 339 HG LEU 40 HG LEU 40 1.019 7.078 -0.616 340 HD11 LEU 40 1HD1 LEU 40 -0.341 4.471 -0.136 341 HD12 LEU 40 2HD1 LEU 40 -0.807 5.818 0.900 342 HD13 LEU 40 3HD1 LEU 40 0.876 5.297 0.836 343 HD21 LEU 40 3HD2 LEU 40 1.144 4.714 -1.845 344 HD22 LEU 40 1HD2 LEU 40 1.288 6.221 -2.745 345 HD23 LEU 40 2HD2 LEU 40 -0.249 5.364 -2.706 346 H SER 41 H SER 41 -2.620 9.179 0.533 347 HA SER 41 HA SER 41 -1.072 10.430 2.651 348 HB2 SER 41 2HB SER 41 -3.517 9.511 3.659 349 HB3 SER 41 1HB SER 41 -3.216 11.106 2.975 350 HG SER 41 HG SER 41 -4.084 10.492 1.114 351 HA PRO 42 HA PRO 42 0.151 6.835 4.678 352 HB2 PRO 42 2HB PRO 42 0.141 7.619 7.292 353 HB3 PRO 42 1HB PRO 42 1.342 8.183 6.114 354 HG2 PRO 42 2HG PRO 42 -1.068 9.571 7.168 355 HG3 PRO 42 1HG PRO 42 0.521 10.228 6.747 356 HD2 PRO 42 2HD PRO 42 -1.717 10.410 5.147 357 HD3 PRO 42 1HD PRO 42 -0.044 10.509 4.554 358 H THR 43 H THR 43 -2.625 8.386 6.329 359 HA THR 43 HA THR 43 -3.699 6.317 7.794 360 HB THR 43 HB THR 43 -4.773 8.524 6.100 361 HG1 THR 43 1HG THR 43 -4.254 8.905 8.227 362 HG21 THR 43 3HG2 THR 43 -6.336 6.750 5.504 363 HG22 THR 43 1HG2 THR 43 -7.122 7.852 6.634 364 HG23 THR 43 2HG2 THR 43 -6.513 6.297 7.200 365 HA PRO 44 HA PRO 44 -5.500 4.219 3.907 366 HB2 PRO 44 2HB PRO 44 -4.861 5.250 1.449 367 HB3 PRO 44 1HB PRO 44 -6.265 5.800 2.387 368 HG2 PRO 44 2HG PRO 44 -3.606 7.083 2.028 369 HG3 PRO 44 1HG PRO 44 -5.207 7.823 2.176 370 HD2 PRO 44 2HD PRO 44 -3.357 7.684 4.219 371 HD3 PRO 44 1HD PRO 44 -5.106 7.869 4.453 372 H CYS 45 H CYS 45 -2.309 5.723 3.187 373 HA CYS 45 HA CYS 45 -1.013 3.817 1.682 374 HB2 CYS 45 2HB CYS 45 0.029 5.836 2.666 375 HB3 CYS 45 1HB CYS 45 -0.033 5.088 4.261 376 HG CYS 45 HG CYS 45 1.773 4.044 1.930 377 H LEU 46 H LEU 46 -1.548 3.641 5.194 378 HA LEU 46 HA LEU 46 -0.499 1.011 5.581 379 HB2 LEU 46 2HB LEU 46 -2.689 2.595 6.968 380 HB3 LEU 46 1HB LEU 46 -1.910 1.159 7.638 381 HG LEU 46 HG LEU 46 0.143 2.923 6.768 382 HD11 LEU 46 1HD1 LEU 46 -2.152 4.387 7.452 383 HD12 LEU 46 2HD1 LEU 46 -0.506 5.007 7.324 384 HD13 LEU 46 3HD1 LEU 46 -1.123 4.454 8.883 385 HD21 LEU 46 3HD2 LEU 46 -0.878 2.040 9.479 386 HD22 LEU 46 1HD2 LEU 46 0.624 2.938 9.255 387 HD23 LEU 46 2HD2 LEU 46 0.443 1.330 8.550 388 H GLU 47 H GLU 47 -3.840 2.186 5.066 389 HA GLU 47 HA GLU 47 -5.245 -0.211 4.993 390 HB2 GLU 47 2HB GLU 47 -5.383 2.423 3.626 391 HB3 GLU 47 1HB GLU 47 -6.356 1.136 2.920 392 HG2 GLU 47 2HG GLU 47 -7.656 0.879 4.845 393 HG3 GLU 47 1HG GLU 47 -6.423 1.587 5.888 394 H ARG 48 H ARG 48 -3.034 1.129 2.592 395 HA ARG 48 HA ARG 48 -3.522 -0.894 0.560 396 HB2 ARG 48 2HB ARG 48 -1.087 0.866 0.992 397 HB3 ARG 48 1HB ARG 48 -1.658 0.200 -0.539 398 HG2 ARG 48 2HG ARG 48 -3.535 1.929 1.029 399 HG3 ARG 48 1HG ARG 48 -2.213 2.710 0.161 400 HD2 ARG 48 2HD ARG 48 -3.080 2.173 -1.909 401 HD3 ARG 48 1HD ARG 48 -3.779 0.648 -1.330 402 HE ARG 48 HE ARG 48 -5.498 2.068 -0.128 403 HH11 ARG 48 1HH2 ARG 48 -3.676 4.495 -1.143 404 HH12 ARG 48 2HH2 ARG 48 -4.805 5.219 -2.240 405 HH21 ARG 48 1HH1 ARG 48 -6.959 2.502 -2.236 406 HH22 ARG 48 2HH1 ARG 48 -6.663 4.091 -2.858 407 H VAL 49 H VAL 49 -0.862 -0.275 2.864 408 HA VAL 49 HA VAL 49 0.580 -2.698 2.368 409 HB VAL 49 HB VAL 49 0.591 -0.381 4.131 410 HG11 VAL 49 1HG1 VAL 49 0.025 -1.982 5.907 411 HG12 VAL 49 2HG1 VAL 49 1.705 -1.477 6.071 412 HG13 VAL 49 3HG1 VAL 49 1.321 -3.055 5.383 413 HG21 VAL 49 3HG2 VAL 49 2.854 -0.476 3.699 414 HG22 VAL 49 1HG2 VAL 49 2.285 -1.504 2.384 415 HG23 VAL 49 2HG2 VAL 49 2.920 -2.232 3.858 416 H ARG 50 H ARG 50 -1.801 -1.846 4.902 417 HA ARG 50 HA ARG 50 -1.857 -4.204 6.383 418 HB2 ARG 50 2HB ARG 50 -4.280 -2.633 5.465 419 HB3 ARG 50 1HB ARG 50 -4.099 -3.516 6.981 420 HG2 ARG 50 2HG ARG 50 -1.937 -1.615 6.658 421 HG3 ARG 50 1HG ARG 50 -3.495 -0.804 6.524 422 HD2 ARG 50 2HD ARG 50 -3.841 -2.568 8.664 423 HD3 ARG 50 1HD ARG 50 -2.207 -1.909 8.888 424 HE ARG 50 HE ARG 50 -4.094 0.153 8.108 425 HH11 ARG 50 1HH1 ARG 50 -3.097 -1.850 10.731 426 HH12 ARG 50 2HH1 ARG 50 -3.441 -0.661 11.943 427 HH21 ARG 50 1HH2 ARG 50 -4.475 1.744 9.672 428 HH22 ARG 50 2HH2 ARG 50 -4.219 1.372 11.345 429 H ARG 51 H ARG 51 -3.598 -3.504 3.367 430 HA ARG 51 HA ARG 51 -4.964 -5.963 3.053 431 HB2 ARG 51 2HB ARG 51 -5.330 -4.049 1.599 432 HB3 ARG 51 1HB ARG 51 -3.646 -4.076 1.071 433 HG2 ARG 51 2HG ARG 51 -5.242 -6.571 0.698 434 HG3 ARG 51 1HG ARG 51 -5.589 -5.216 -0.377 435 HD2 ARG 51 2HD ARG 51 -3.495 -5.303 -1.381 436 HD3 ARG 51 1HD ARG 51 -2.716 -5.970 0.067 437 HE ARG 51 HE ARG 51 -3.837 -8.132 -0.440 438 HH11 ARG 51 1HH1 ARG 51 -2.710 -6.181 -2.916 439 HH12 ARG 51 2HH1 ARG 51 -3.507 -7.035 -4.195 440 HH21 ARG 51 1HH2 ARG 51 -5.376 -9.027 -2.061 441 HH22 ARG 51 2HH2 ARG 51 -5.016 -8.645 -3.711 442 H LEU 52 H LEU 52 -1.635 -5.029 2.212 443 HA LEU 52 HA LEU 52 -0.890 -7.529 1.000 444 HB2 LEU 52 2HB LEU 52 0.660 -5.324 2.386 445 HB3 LEU 52 1HB LEU 52 1.411 -6.609 1.439 446 HG LEU 52 HG LEU 52 -0.683 -4.695 0.370 447 HD11 LEU 52 1HD1 LEU 52 2.326 -4.742 0.015 448 HD12 LEU 52 2HD1 LEU 52 1.406 -3.515 0.882 449 HD13 LEU 52 3HD1 LEU 52 1.222 -3.688 -0.863 450 HD21 LEU 52 3HD2 LEU 52 -0.794 -6.158 -1.341 451 HD22 LEU 52 1HD2 LEU 52 0.406 -7.190 -0.564 452 HD23 LEU 52 2HD2 LEU 52 0.923 -5.896 -1.645 453 H GLU 53 H GLU 53 -1.103 -6.414 4.314 454 HA GLU 53 HA GLU 53 0.594 -8.332 5.582 455 HB2 GLU 53 2HB GLU 53 -1.189 -6.230 6.234 456 HB3 GLU 53 1HB GLU 53 -1.743 -7.640 7.137 457 HG2 GLU 53 2HG GLU 53 1.019 -7.743 7.415 458 HG3 GLU 53 1HG GLU 53 0.660 -6.020 7.521 459 H ARG 54 H ARG 54 -2.989 -8.361 5.368 460 HA ARG 54 HA ARG 54 -3.524 -10.897 6.364 461 HB2 ARG 54 2HB ARG 54 -4.715 -9.444 3.978 462 HB3 ARG 54 1HB ARG 54 -5.488 -10.803 4.795 463 HG2 ARG 54 2HG ARG 54 -4.706 -8.932 6.799 464 HG3 ARG 54 1HG ARG 54 -5.537 -8.034 5.528 465 HD2 ARG 54 2HD ARG 54 -7.498 -9.409 5.708 466 HD3 ARG 54 1HD ARG 54 -6.651 -10.587 6.730 467 HE ARG 54 HE ARG 54 -7.756 -8.049 7.632 468 HH11 ARG 54 1HH1 ARG 54 -5.397 -10.522 8.100 469 HH12 ARG 54 2HH1 ARG 54 -5.050 -10.067 9.735 470 HH21 ARG 54 1HH2 ARG 54 -7.243 -7.381 9.735 471 HH22 ARG 54 2HH2 ARG 54 -6.096 -8.290 10.659 472 H GLN 55 H GLN 55 -1.963 -10.086 3.340 473 HA GLN 55 HA GLN 55 -2.229 -12.841 2.282 474 HB2 GLN 55 2HB GLN 55 -1.260 -10.158 1.345 475 HB3 GLN 55 1HB GLN 55 -0.716 -11.599 0.486 476 HG2 GLN 55 2HG GLN 55 -3.636 -11.282 1.104 477 HG3 GLN 55 1HG GLN 55 -2.942 -10.393 -0.252 478 HE21 GLN 55 1HE2 GLN 55 -4.597 -12.040 -1.348 479 HE22 GLN 55 2HE2 GLN 55 -3.923 -13.517 -1.844 480 H GLY 56 H GLY 56 -0.417 -11.674 4.664 481 HA2 GLY 56 2HA GLY 56 1.653 -12.280 5.588 482 HA3 GLY 56 1HA GLY 56 1.621 -13.659 4.488 483 H PHE 57 H PHE 57 1.903 -10.110 4.046 484 HA PHE 57 HA PHE 57 4.397 -10.632 2.467 485 HB2 PHE 57 2HB PHE 57 1.899 -9.077 1.843 486 HB3 PHE 57 1HB PHE 57 3.429 -8.593 1.110 487 HD1 PHE 57 1HD PHE 57 4.847 -10.998 0.531 488 HD2 PHE 57 2HD PHE 57 0.617 -10.283 0.310 489 HE1 PHE 57 1HE PHE 57 4.627 -12.820 -1.136 490 HE2 PHE 57 2HE PHE 57 0.398 -12.105 -1.360 491 HZ PHE 57 HZ PHE 57 2.403 -13.373 -2.083 492 H ILE 58 H ILE 58 3.177 -9.213 5.170 493 HA ILE 58 HA ILE 58 5.251 -7.052 5.113 494 HB ILE 58 HB ILE 58 2.620 -6.776 6.544 495 HG12 ILE 58 2HG1 ILE 58 2.021 -7.357 4.237 496 HG13 ILE 58 1HG1 ILE 58 1.747 -5.634 4.500 497 HG21 ILE 58 1HG2 ILE 58 3.088 -4.388 6.147 498 HG22 ILE 58 2HG2 ILE 58 4.540 -4.822 5.242 499 HG23 ILE 58 3HG2 ILE 58 4.441 -5.164 6.971 500 HD11 ILE 58 3HD1 ILE 58 3.401 -6.853 2.532 501 HD12 ILE 58 1HD1 ILE 58 4.465 -6.014 3.660 502 HD13 ILE 58 2HD1 ILE 58 3.177 -5.131 2.840 503 H GLN 59 H GLN 59 5.382 -9.771 6.224 504 HA GLN 59 HA GLN 59 5.075 -9.528 9.128 505 HB2 GLN 59 2HB GLN 59 6.139 -11.793 9.036 506 HB3 GLN 59 1HB GLN 59 4.764 -11.653 7.939 507 HG2 GLN 59 2HG GLN 59 6.925 -10.764 6.418 508 HG3 GLN 59 1HG GLN 59 7.577 -12.128 7.325 509 HE21 GLN 59 1HE2 GLN 59 7.609 -13.544 5.440 510 HE22 GLN 59 2HE2 GLN 59 6.176 -14.138 4.752 511 H GLY 60 H GLY 60 7.337 -8.463 6.875 512 HA2 GLY 60 2HA GLY 60 9.341 -8.029 9.029 513 HA3 GLY 60 1HA GLY 60 9.878 -8.738 7.504 514 H TYR 61 H TYR 61 8.135 -7.206 5.797 515 HA TYR 61 HA TYR 61 9.696 -4.913 5.249 516 HB2 TYR 61 2HB TYR 61 6.764 -5.473 4.699 517 HB3 TYR 61 1HB TYR 61 7.761 -4.314 3.827 518 HD1 TYR 61 2HD TYR 61 10.193 -6.490 4.358 519 HD2 TYR 61 1HD TYR 61 6.403 -6.443 2.336 520 HE1 TYR 61 2HE TYR 61 10.977 -8.294 2.847 521 HE2 TYR 61 1HE TYR 61 7.187 -8.246 0.825 522 HH TYR 61 HH TYR 61 9.385 -10.231 1.321 523 H THR 62 H THR 62 6.565 -3.709 5.464 524 HA THR 62 HA THR 62 7.370 -1.892 7.633 525 HB THR 62 HB THR 62 6.208 -1.320 5.412 526 HG1 THR 62 1HG THR 62 4.584 -0.038 6.965 527 HG21 THR 62 3HG2 THR 62 3.677 -1.406 5.630 528 HG22 THR 62 1HG2 THR 62 3.919 -2.524 6.969 529 HG23 THR 62 2HG2 THR 62 4.466 -2.956 5.351 530 H ALA 63 H ALA 63 6.730 -4.785 8.141 531 HA ALA 63 HA ALA 63 4.315 -5.418 9.261 532 HB1 ALA 63 1HB ALA 63 6.105 -6.179 11.236 533 HB2 ALA 63 2HB ALA 63 7.156 -5.936 9.840 534 HB3 ALA 63 3HB ALA 63 5.812 -7.072 9.745 535 H LEU 64 H LEU 64 6.632 -3.040 10.445 536 HA LEU 64 HA LEU 64 5.675 -2.503 13.038 537 HB2 LEU 64 2HB LEU 64 6.478 -0.114 12.370 538 HB3 LEU 64 1HB LEU 64 7.653 -1.426 12.288 539 HG LEU 64 HG LEU 64 6.205 -1.301 9.798 540 HD11 LEU 64 1HD1 LEU 64 7.154 0.969 9.115 541 HD12 LEU 64 2HD1 LEU 64 7.365 1.296 10.836 542 HD13 LEU 64 3HD1 LEU 64 5.751 1.017 10.181 543 HD21 LEU 64 3HD2 LEU 64 8.648 -0.671 9.071 544 HD22 LEU 64 1HD2 LEU 64 8.337 -2.268 9.752 545 HD23 LEU 64 2HD2 LEU 64 9.041 -1.002 10.758 546 H LEU 65 H LEU 65 4.339 -1.706 9.937 547 HA LEU 65 HA LEU 65 2.604 0.375 10.326 548 HB2 LEU 65 2HB LEU 65 1.363 -0.590 8.547 549 HB3 LEU 65 1HB LEU 65 2.981 -1.277 8.360 550 HG LEU 65 HG LEU 65 1.713 -3.009 10.145 551 HD11 LEU 65 1HD1 LEU 65 -0.383 -1.668 9.248 552 HD12 LEU 65 2HD1 LEU 65 -0.457 -3.420 9.433 553 HD13 LEU 65 3HD1 LEU 65 -0.179 -2.713 7.842 554 HD21 LEU 65 3HD2 LEU 65 3.216 -3.736 8.402 555 HD22 LEU 65 1HD2 LEU 65 2.124 -3.147 7.149 556 HD23 LEU 65 2HD2 LEU 65 1.668 -4.534 8.136 557 H ASN 66 H ASN 66 2.427 -2.733 11.891 558 HA ASN 66 HA ASN 66 -0.317 -2.236 12.900 559 HB2 ASN 66 2HB ASN 66 0.699 -4.461 12.042 560 HB3 ASN 66 1HB ASN 66 1.545 -4.515 13.588 561 HD21 ASN 66 1HD2 ASN 66 -0.533 -6.414 12.780 562 HD22 ASN 66 2HD2 ASN 66 -1.829 -6.227 13.862 Start of MODEL 13 1 H1 MET 1 1HT MET 1 12.726 -1.624 -15.136 2 H2 MET 1 2HT MET 1 11.220 -2.256 -15.607 3 H3 MET 1 3HT MET 1 12.390 -1.878 -16.779 4 HA MET 1 HA MET 1 12.265 -4.286 -16.386 5 HB2 MET 1 2HB MET 1 14.436 -2.508 -16.517 6 HB3 MET 1 1HB MET 1 14.888 -3.679 -15.278 7 HG2 MET 1 2HG MET 1 14.562 -5.522 -16.784 8 HG3 MET 1 1HG MET 1 13.808 -4.479 -17.990 9 HE1 MET 1 2HE MET 1 16.661 -5.907 -19.536 10 HE2 MET 1 3HE MET 1 16.104 -4.429 -20.319 11 HE3 MET 1 1HE MET 1 14.947 -5.498 -19.515 12 H VAL 2 H VAL 2 14.086 -2.874 -13.648 13 HA VAL 2 HA VAL 2 13.521 -5.101 -11.900 14 HB VAL 2 HB VAL 2 15.498 -3.621 -11.755 15 HG11 VAL 2 1HG1 VAL 2 15.056 -1.433 -12.158 16 HG12 VAL 2 2HG1 VAL 2 14.643 -1.351 -10.445 17 HG13 VAL 2 3HG1 VAL 2 13.374 -1.586 -11.647 18 HG21 VAL 2 3HG2 VAL 2 15.555 -4.211 -9.583 19 HG22 VAL 2 1HG2 VAL 2 13.803 -4.410 -9.590 20 HG23 VAL 2 2HG2 VAL 2 14.510 -2.846 -9.186 21 H ASP 3 H ASP 3 11.648 -2.410 -12.858 22 HA ASP 3 HA ASP 3 10.201 -1.578 -10.638 23 HB2 ASP 3 2HB ASP 3 9.869 -0.746 -12.909 24 HB3 ASP 3 1HB ASP 3 9.254 -2.318 -13.426 25 H SER 4 H SER 4 8.596 -2.473 -9.332 26 HA SER 4 HA SER 4 7.158 -4.121 -8.425 27 HB2 SER 4 2HB SER 4 6.736 -4.078 -11.103 28 HB3 SER 4 1HB SER 4 7.309 -5.735 -10.922 29 HG SER 4 HG SER 4 4.915 -4.974 -10.522 30 H LYS 5 H LYS 5 8.261 -5.319 -6.907 31 HA LYS 5 HA LYS 5 10.584 -6.952 -7.581 32 HB2 LYS 5 2HB LYS 5 8.873 -6.689 -5.083 33 HB3 LYS 5 1HB LYS 5 10.451 -7.476 -5.151 34 HG2 LYS 5 2HG LYS 5 10.946 -5.025 -6.331 35 HG3 LYS 5 1HG LYS 5 9.794 -4.618 -5.059 36 HD2 LYS 5 2HD LYS 5 11.695 -4.556 -3.775 37 HD3 LYS 5 1HD LYS 5 11.402 -6.293 -3.679 38 HE2 LYS 5 2HE LYS 5 13.613 -6.320 -4.403 39 HE3 LYS 5 1HE LYS 5 12.802 -6.250 -5.979 40 HZ1 LYS 5 3HZ LYS 5 14.574 -4.466 -5.382 41 HZ2 LYS 5 1HZ LYS 5 13.316 -3.764 -4.487 42 HZ3 LYS 5 2HZ LYS 5 13.142 -3.993 -6.162 43 H LYS 6 H LYS 6 7.475 -7.843 -6.026 44 HA LYS 6 HA LYS 6 6.889 -10.004 -7.833 45 HB2 LYS 6 2HB LYS 6 9.078 -10.594 -6.473 46 HB3 LYS 6 1HB LYS 6 7.936 -10.974 -5.185 47 HG2 LYS 6 2HG LYS 6 7.168 -12.835 -6.245 48 HG3 LYS 6 1HG LYS 6 7.207 -12.063 -7.830 49 HD2 LYS 6 2HD LYS 6 9.846 -12.584 -6.577 50 HD3 LYS 6 1HD LYS 6 8.943 -14.007 -7.096 51 HE2 LYS 6 2HE LYS 6 8.610 -12.796 -9.341 52 HE3 LYS 6 1HE LYS 6 9.864 -11.669 -8.786 53 HZ1 LYS 6 3HZ LYS 6 11.226 -13.678 -8.243 54 HZ2 LYS 6 1HZ LYS 6 10.973 -13.428 -9.901 55 HZ3 LYS 6 2HZ LYS 6 10.081 -14.616 -9.077 56 H ARG 7 H ARG 7 6.203 -11.545 -5.100 57 HA ARG 7 HA ARG 7 4.287 -11.661 -3.706 58 HB2 ARG 7 2HB ARG 7 5.207 -8.955 -3.876 59 HB3 ARG 7 1HB ARG 7 3.447 -8.921 -3.900 60 HG2 ARG 7 2HG ARG 7 4.276 -8.846 -1.583 61 HG3 ARG 7 1HG ARG 7 3.405 -10.351 -1.874 62 HD2 ARG 7 2HD ARG 7 5.256 -11.444 -1.142 63 HD3 ARG 7 1HD ARG 7 6.071 -10.891 -2.617 64 HE ARG 7 HE ARG 7 5.972 -8.803 -0.607 65 HH11 ARG 7 1HH2 ARG 7 7.149 -11.624 0.319 66 HH12 ARG 7 2HH2 ARG 7 8.836 -11.241 0.226 67 HH21 ARG 7 1HH1 ARG 7 8.345 -8.318 -1.573 68 HH22 ARG 7 2HH1 ARG 7 9.512 -9.370 -0.845 69 HA PRO 8 HA PRO 8 0.710 -11.681 -6.286 70 HB2 PRO 8 2HB PRO 8 -1.248 -10.131 -5.134 71 HB3 PRO 8 1HB PRO 8 -0.788 -11.735 -4.528 72 HG2 PRO 8 2HG PRO 8 -0.002 -9.036 -3.537 73 HG3 PRO 8 1HG PRO 8 -0.399 -10.501 -2.624 74 HD2 PRO 8 2HD PRO 8 2.147 -9.661 -3.036 75 HD3 PRO 8 1HD PRO 8 1.720 -11.372 -2.849 76 H GLY 9 H GLY 9 2.521 -10.001 -7.353 77 HA2 GLY 9 2HA GLY 9 1.978 -7.299 -7.752 78 HA3 GLY 9 1HA GLY 9 2.684 -8.335 -8.996 79 H LYS 10 H LYS 10 0.516 -10.081 -9.436 80 HA LYS 10 HA LYS 10 -1.283 -8.292 -10.955 81 HB2 LYS 10 2HB LYS 10 -1.909 -10.373 -12.058 82 HB3 LYS 10 1HB LYS 10 -0.154 -10.346 -11.883 83 HG2 LYS 10 2HG LYS 10 -1.254 -11.477 -9.501 84 HG3 LYS 10 1HG LYS 10 -1.995 -12.289 -10.879 85 HD2 LYS 10 2HD LYS 10 0.991 -11.865 -10.575 86 HD3 LYS 10 1HD LYS 10 0.156 -13.350 -10.118 87 HE2 LYS 10 2HE LYS 10 -0.467 -12.381 -12.848 88 HE3 LYS 10 1HE LYS 10 1.203 -12.930 -12.605 89 HZ1 LYS 10 3HZ LYS 10 -0.012 -14.812 -11.273 90 HZ2 LYS 10 1HZ LYS 10 0.171 -14.928 -12.955 91 HZ3 LYS 10 2HZ LYS 10 -1.309 -14.418 -12.296 92 H ASP 11 H ASP 11 -1.517 -8.387 -8.003 93 HA ASP 11 HA ASP 11 -4.405 -8.907 -7.847 94 HB2 ASP 11 2HB ASP 11 -2.363 -10.795 -6.979 95 HB3 ASP 11 1HB ASP 11 -3.414 -10.322 -5.645 96 H LEU 12 H LEU 12 -3.561 -6.462 -7.569 97 HA LEU 12 HA LEU 12 -4.180 -5.650 -4.927 98 HB2 LEU 12 2HB LEU 12 -1.834 -4.988 -4.252 99 HB3 LEU 12 1HB LEU 12 -2.115 -6.726 -4.321 100 HG LEU 12 HG LEU 12 -1.296 -6.547 -6.758 101 HD11 LEU 12 1HD1 LEU 12 -0.489 -3.894 -5.590 102 HD12 LEU 12 2HD1 LEU 12 -1.213 -4.233 -7.163 103 HD13 LEU 12 3HD1 LEU 12 0.473 -4.646 -6.862 104 HD21 LEU 12 3HD2 LEU 12 -0.074 -7.566 -4.782 105 HD22 LEU 12 1HD2 LEU 12 0.733 -6.010 -4.574 106 HD23 LEU 12 2HD2 LEU 12 0.976 -6.941 -6.053 107 H ASP 13 H ASP 13 -3.174 -3.249 -4.601 108 HA ASP 13 HA ASP 13 -3.770 -1.830 -7.144 109 HB2 ASP 13 2HB ASP 13 -4.557 -1.511 -4.534 110 HB3 ASP 13 1HB ASP 13 -3.253 -0.330 -4.652 111 H ARG 14 H ARG 14 -2.384 0.017 -7.751 112 HA ARG 14 HA ARG 14 0.354 -0.629 -7.980 113 HB2 ARG 14 2HB ARG 14 -0.821 0.939 -9.433 114 HB3 ARG 14 1HB ARG 14 -1.123 2.020 -8.072 115 HG2 ARG 14 2HG ARG 14 0.770 3.055 -8.828 116 HG3 ARG 14 1HG ARG 14 1.574 1.788 -7.899 117 HD2 ARG 14 2HD ARG 14 2.605 1.278 -9.877 118 HD3 ARG 14 1HD ARG 14 1.057 0.526 -10.313 119 HE ARG 14 HE ARG 14 0.986 3.383 -10.760 120 HH11 ARG 14 1HH2 ARG 14 3.518 2.098 -12.070 121 HH12 ARG 14 2HH2 ARG 14 2.929 1.869 -13.683 122 HH21 ARG 14 1HH1 ARG 14 -0.395 2.354 -12.818 123 HH22 ARG 14 2HH1 ARG 14 0.713 2.017 -14.107 124 H ILE 15 H ILE 15 -1.379 0.941 -5.381 125 HA ILE 15 HA ILE 15 0.925 2.193 -4.133 126 HB ILE 15 HB ILE 15 -1.654 1.343 -2.820 127 HG12 ILE 15 2HG1 ILE 15 -2.454 2.346 -4.813 128 HG13 ILE 15 1HG1 ILE 15 -2.433 3.673 -3.653 129 HG21 ILE 15 1HG2 ILE 15 -1.141 3.828 -1.951 130 HG22 ILE 15 2HG2 ILE 15 0.504 3.344 -2.360 131 HG23 ILE 15 3HG2 ILE 15 -0.425 2.406 -1.193 132 HD11 ILE 15 3HD1 ILE 15 -0.737 3.227 -6.046 133 HD12 ILE 15 1HD1 ILE 15 0.093 3.859 -4.625 134 HD13 ILE 15 2HD1 ILE 15 -1.272 4.738 -5.311 135 H ASP 16 H ASP 16 -0.693 -0.932 -3.821 136 HA ASP 16 HA ASP 16 0.721 -1.739 -1.432 137 HB2 ASP 16 2HB ASP 16 -0.492 -3.486 -3.603 138 HB3 ASP 16 1HB ASP 16 -0.347 -3.853 -1.882 139 H ARG 17 H ARG 17 1.071 -2.902 -4.820 140 HA ARG 17 HA ARG 17 3.446 -4.367 -4.439 141 HB2 ARG 17 2HB ARG 17 3.728 -3.799 -6.954 142 HB3 ARG 17 1HB ARG 17 2.250 -4.624 -6.467 143 HG2 ARG 17 2HG ARG 17 1.053 -2.928 -7.334 144 HG3 ARG 17 1HG ARG 17 1.777 -1.842 -6.151 145 HD2 ARG 17 2HD ARG 17 2.353 -0.865 -8.242 146 HD3 ARG 17 1HD ARG 17 3.809 -1.777 -7.796 147 HE ARG 17 HE ARG 17 2.549 -3.695 -9.142 148 HH11 ARG 17 1HH2 ARG 17 3.989 -0.896 -10.154 149 HH12 ARG 17 2HH2 ARG 17 3.215 -0.820 -11.702 150 HH21 ARG 17 1HH1 ARG 17 0.967 -3.366 -11.000 151 HH22 ARG 17 2HH1 ARG 17 1.506 -2.221 -12.182 152 H ASN 18 H ASN 18 3.083 -0.942 -5.310 153 HA ASN 18 HA ASN 18 5.889 -0.387 -5.547 154 HB2 ASN 18 2HB ASN 18 3.344 1.151 -5.113 155 HB3 ASN 18 1HB ASN 18 4.883 1.993 -4.931 156 HD21 ASN 18 1HD2 ASN 18 5.167 3.136 -6.867 157 HD22 ASN 18 2HD2 ASN 18 5.011 2.461 -8.416 158 H ILE 19 H ILE 19 3.610 -0.322 -2.832 159 HA ILE 19 HA ILE 19 5.370 0.833 -0.895 160 HB ILE 19 HB ILE 19 2.908 -0.890 -0.925 161 HG12 ILE 19 2HG1 ILE 19 3.501 1.760 0.423 162 HG13 ILE 19 1HG1 ILE 19 2.892 1.623 -1.226 163 HG21 ILE 19 1HG2 ILE 19 4.860 -0.696 1.270 164 HG22 ILE 19 2HG2 ILE 19 3.542 -1.845 1.036 165 HG23 ILE 19 3HG2 ILE 19 3.217 -0.260 1.737 166 HD11 ILE 19 3HD1 ILE 19 0.885 0.498 -0.452 167 HD12 ILE 19 1HD1 ILE 19 1.083 1.980 0.483 168 HD13 ILE 19 2HD1 ILE 19 1.514 0.424 1.193 169 H LEU 20 H LEU 20 4.813 -2.520 -1.967 170 HA LEU 20 HA LEU 20 6.511 -3.786 -0.017 171 HB2 LEU 20 2HB LEU 20 5.611 -4.484 -2.835 172 HB3 LEU 20 1HB LEU 20 6.478 -5.612 -1.792 173 HG LEU 20 HG LEU 20 3.870 -4.259 -1.048 174 HD11 LEU 20 1HD1 LEU 20 4.502 -6.752 -2.531 175 HD12 LEU 20 2HD1 LEU 20 3.051 -5.750 -2.581 176 HD13 LEU 20 3HD1 LEU 20 3.284 -6.900 -1.263 177 HD21 LEU 20 3HD2 LEU 20 4.190 -5.142 1.006 178 HD22 LEU 20 1HD2 LEU 20 5.841 -5.516 0.514 179 HD23 LEU 20 2HD2 LEU 20 4.569 -6.723 0.323 180 H ASN 21 H ASN 21 7.093 -2.489 -3.295 181 HA ASN 21 HA ASN 21 9.836 -3.293 -3.519 182 HB2 ASN 21 2HB ASN 21 8.424 -2.522 -5.385 183 HB3 ASN 21 1HB ASN 21 8.297 -0.926 -4.644 184 HD21 ASN 21 1HD2 ASN 21 9.517 0.379 -6.061 185 HD22 ASN 21 2HD2 ASN 21 11.130 0.069 -6.488 186 H GLU 22 H GLU 22 8.246 -0.492 -2.046 187 HA GLU 22 HA GLU 22 10.693 0.967 -1.489 188 HB2 GLU 22 2HB GLU 22 7.888 1.060 -0.330 189 HB3 GLU 22 1HB GLU 22 9.125 2.287 -0.051 190 HG2 GLU 22 2HG GLU 22 8.168 1.483 -2.811 191 HG3 GLU 22 1HG GLU 22 7.500 2.844 -1.909 192 H LEU 23 H LEU 23 8.589 -1.224 0.373 193 HA LEU 23 HA LEU 23 10.074 -1.037 2.835 194 HB2 LEU 23 2HB LEU 23 8.142 -2.979 1.565 195 HB3 LEU 23 1HB LEU 23 8.858 -3.319 3.139 196 HG LEU 23 HG LEU 23 7.440 -0.722 2.504 197 HD11 LEU 23 1HD1 LEU 23 6.100 -2.667 4.265 198 HD12 LEU 23 2HD1 LEU 23 6.199 -3.174 2.579 199 HD13 LEU 23 3HD1 LEU 23 5.423 -1.646 2.997 200 HD21 LEU 23 3HD2 LEU 23 9.155 -1.222 4.506 201 HD22 LEU 23 1HD2 LEU 23 7.699 -1.900 5.236 202 HD23 LEU 23 2HD2 LEU 23 7.731 -0.209 4.734 203 H GLN 24 H GLN 24 10.401 -2.962 -0.098 204 HA GLN 24 HA GLN 24 12.275 -4.902 0.905 205 HB2 GLN 24 2HB GLN 24 10.905 -4.974 -1.222 206 HB3 GLN 24 1HB GLN 24 11.983 -3.748 -1.889 207 HG2 GLN 24 2HG GLN 24 13.224 -5.509 -2.605 208 HG3 GLN 24 1HG GLN 24 13.766 -5.610 -0.929 209 HE21 GLN 24 1HE2 GLN 24 13.676 -7.975 -2.455 210 HE22 GLN 24 2HE2 GLN 24 12.408 -8.958 -1.898 211 H LYS 25 H LYS 25 12.626 -1.684 -0.585 212 HA LYS 25 HA LYS 25 15.560 -1.781 -0.493 213 HB2 LYS 25 2HB LYS 25 13.516 0.399 -1.027 214 HB3 LYS 25 1HB LYS 25 15.255 0.593 -1.256 215 HG2 LYS 25 2HG LYS 25 15.174 -1.403 -2.814 216 HG3 LYS 25 1HG LYS 25 13.414 -1.321 -2.712 217 HD2 LYS 25 2HD LYS 25 15.239 0.906 -3.667 218 HD3 LYS 25 1HD LYS 25 14.215 -0.101 -4.693 219 HE2 LYS 25 2HE LYS 25 12.521 1.366 -4.351 220 HE3 LYS 25 1HE LYS 25 12.548 0.941 -2.628 221 HZ1 LYS 25 3HZ LYS 25 13.040 3.353 -3.215 222 HZ2 LYS 25 1HZ LYS 25 14.524 2.796 -3.819 223 HZ3 LYS 25 2HZ LYS 25 14.141 2.580 -2.179 224 H ASP 26 H ASP 26 12.991 -0.924 1.636 225 HA ASP 26 HA ASP 26 15.005 0.034 3.604 226 HB2 ASP 26 2HB ASP 26 12.658 1.450 2.425 227 HB3 ASP 26 1HB ASP 26 12.945 1.687 4.149 228 H GLY 27 H GLY 27 14.736 -1.933 4.792 229 HA2 GLY 27 2HA GLY 27 12.046 -2.842 5.530 230 HA3 GLY 27 1HA GLY 27 13.566 -3.576 6.043 231 H ARG 28 H ARG 28 13.419 -0.180 6.463 232 HA ARG 28 HA ARG 28 12.671 -0.524 9.342 233 HB2 ARG 28 2HB ARG 28 14.560 0.924 9.897 234 HB3 ARG 28 1HB ARG 28 15.144 -0.410 8.902 235 HG2 ARG 28 2HG ARG 28 14.272 2.160 7.603 236 HG3 ARG 28 1HG ARG 28 15.882 2.032 8.311 237 HD2 ARG 28 2HD ARG 28 15.455 -0.344 6.792 238 HD3 ARG 28 1HD ARG 28 14.991 1.032 5.772 239 HE ARG 28 HE ARG 28 17.237 2.052 6.521 240 HH11 ARG 28 1HH1 ARG 28 16.727 -0.995 5.225 241 HH12 ARG 28 2HH1 ARG 28 18.326 -1.589 5.532 242 HH21 ARG 28 1HH2 ARG 28 19.263 1.148 7.442 243 HH22 ARG 28 2HH2 ARG 28 19.761 -0.375 6.786 244 H ILE 29 H ILE 29 10.939 0.400 7.223 245 HA ILE 29 HA ILE 29 10.637 3.277 8.008 246 HB ILE 29 HB ILE 29 11.430 3.074 5.713 247 HG12 ILE 29 2HG1 ILE 29 8.443 3.600 5.818 248 HG13 ILE 29 1HG1 ILE 29 9.716 4.784 6.112 249 HG21 ILE 29 1HG2 ILE 29 9.226 1.729 4.472 250 HG22 ILE 29 2HG2 ILE 29 9.840 0.702 5.768 251 HG23 ILE 29 3HG2 ILE 29 10.925 1.251 4.491 252 HD11 ILE 29 3HD1 ILE 29 10.332 4.883 3.875 253 HD12 ILE 29 1HD1 ILE 29 8.601 4.583 3.717 254 HD13 ILE 29 2HD1 ILE 29 9.747 3.254 3.536 255 H SER 30 H SER 30 8.684 3.746 8.890 256 HA SER 30 HA SER 30 6.705 1.681 9.314 257 HB2 SER 30 2HB SER 30 5.674 3.360 10.635 258 HB3 SER 30 1HB SER 30 7.387 3.768 10.710 259 HG SER 30 HG SER 30 6.839 5.097 8.756 260 H ASN 31 H ASN 31 4.606 3.980 8.850 261 HA ASN 31 HA ASN 31 4.144 3.334 5.957 262 HB2 ASN 31 2HB ASN 31 2.474 3.527 8.411 263 HB3 ASN 31 1HB ASN 31 1.739 4.139 6.929 264 HD21 ASN 31 1HD2 ASN 31 2.993 1.224 8.507 265 HD22 ASN 31 2HD2 ASN 31 2.376 0.128 7.367 266 H VAL 32 H VAL 32 4.263 5.899 8.385 267 HA VAL 32 HA VAL 32 3.174 8.074 6.983 268 HB VAL 32 HB VAL 32 5.586 7.779 8.802 269 HG11 VAL 32 1HG1 VAL 32 5.839 9.830 7.455 270 HG12 VAL 32 2HG1 VAL 32 5.453 10.228 9.130 271 HG13 VAL 32 3HG1 VAL 32 4.202 10.322 7.890 272 HG21 VAL 32 3HG2 VAL 32 2.808 8.890 9.307 273 HG22 VAL 32 1HG2 VAL 32 4.062 8.594 10.512 274 HG23 VAL 32 2HG2 VAL 32 3.297 7.237 9.684 275 H GLU 33 H GLU 33 6.673 7.259 7.030 276 HA GLU 33 HA GLU 33 7.339 8.841 4.730 277 HB2 GLU 33 2HB GLU 33 8.992 8.079 6.355 278 HB3 GLU 33 1HB GLU 33 8.589 6.393 6.029 279 HG2 GLU 33 2HG GLU 33 10.467 6.634 4.688 280 HG3 GLU 33 1HG GLU 33 9.201 7.072 3.540 281 H LEU 34 H LEU 34 6.078 5.604 5.180 282 HA LEU 34 HA LEU 34 6.539 4.654 2.479 283 HB2 LEU 34 2HB LEU 34 5.799 3.627 4.937 284 HB3 LEU 34 1HB LEU 34 4.306 3.520 4.006 285 HG LEU 34 HG LEU 34 7.005 2.353 3.291 286 HD11 LEU 34 1HD1 LEU 34 5.468 0.279 3.115 287 HD12 LEU 34 2HD1 LEU 34 4.288 1.245 4.000 288 HD13 LEU 34 3HD1 LEU 34 5.849 0.873 4.732 289 HD21 LEU 34 3HD2 LEU 34 4.544 2.861 1.633 290 HD22 LEU 34 1HD2 LEU 34 5.574 1.473 1.283 291 HD23 LEU 34 2HD2 LEU 34 6.237 3.106 1.204 292 H SER 35 H SER 35 4.304 6.805 3.923 293 HA SER 35 HA SER 35 2.127 6.333 2.002 294 HB2 SER 35 2HB SER 35 0.954 7.821 3.391 295 HB3 SER 35 1HB SER 35 2.053 7.005 4.503 296 HG SER 35 HG SER 35 3.187 8.791 4.710 297 H LYS 36 H LYS 36 4.448 8.971 2.719 298 HA LYS 36 HA LYS 36 3.537 10.560 0.431 299 HB2 LYS 36 2HB LYS 36 5.845 10.775 2.388 300 HB3 LYS 36 1HB LYS 36 5.417 12.029 1.223 301 HG2 LYS 36 2HG LYS 36 4.016 12.831 2.806 302 HG3 LYS 36 1HG LYS 36 2.996 11.436 2.457 303 HD2 LYS 36 2HD LYS 36 3.297 10.956 4.663 304 HD3 LYS 36 1HD LYS 36 4.854 10.322 4.125 305 HE2 LYS 36 2HE LYS 36 4.420 13.203 4.993 306 HE3 LYS 36 1HE LYS 36 5.073 11.932 6.045 307 HZ1 LYS 36 3HZ LYS 36 6.248 13.150 3.649 308 HZ2 LYS 36 1HZ LYS 36 6.576 11.513 3.952 309 HZ3 LYS 36 2HZ LYS 36 6.998 12.690 5.103 310 H ARG 37 H ARG 37 6.039 8.177 0.998 311 HA ARG 37 HA ARG 37 7.763 8.991 -1.187 312 HB2 ARG 37 2HB ARG 37 8.946 6.977 -0.628 313 HB3 ARG 37 1HB ARG 37 8.318 7.619 0.890 314 HG2 ARG 37 2HG ARG 37 6.886 5.875 1.178 315 HG3 ARG 37 1HG ARG 37 6.477 5.800 -0.533 316 HD2 ARG 37 2HD ARG 37 7.784 3.792 0.381 317 HD3 ARG 37 1HD ARG 37 8.500 4.580 -1.039 318 HE ARG 37 HE ARG 37 9.342 5.515 1.657 319 HH11 ARG 37 1HH2 ARG 37 10.563 6.057 -1.162 320 HH12 ARG 37 2HH2 ARG 37 12.020 5.129 -1.036 321 HH21 ARG 37 1HH1 ARG 37 10.975 3.374 1.766 322 HH22 ARG 37 2HH1 ARG 37 12.253 3.610 0.620 323 H VAL 38 H VAL 38 4.796 7.311 -1.032 324 HA VAL 38 HA VAL 38 5.228 6.105 -3.729 325 HB VAL 38 HB VAL 38 2.971 4.972 -2.985 326 HG11 VAL 38 1HG1 VAL 38 5.553 4.341 -1.525 327 HG12 VAL 38 2HG1 VAL 38 5.197 3.855 -3.183 328 HG13 VAL 38 3HG1 VAL 38 4.230 3.219 -1.852 329 HG21 VAL 38 3HG2 VAL 38 4.117 5.748 -0.299 330 HG22 VAL 38 1HG2 VAL 38 2.607 4.897 -0.614 331 HG23 VAL 38 2HG2 VAL 38 2.771 6.599 -1.042 332 H GLY 39 H GLY 39 3.719 8.691 -2.118 333 HA2 GLY 39 2HA GLY 39 2.703 10.522 -3.310 334 HA3 GLY 39 1HA GLY 39 2.299 9.411 -4.617 335 H LEU 40 H LEU 40 1.650 8.977 -1.135 336 HA LEU 40 HA LEU 40 -1.238 9.515 -1.557 337 HB2 LEU 40 2HB LEU 40 -1.625 7.143 -0.518 338 HB3 LEU 40 1HB LEU 40 -1.245 7.255 -2.237 339 HG LEU 40 HG LEU 40 1.152 7.168 -0.603 340 HD11 LEU 40 1HD1 LEU 40 0.310 4.477 -0.483 341 HD12 LEU 40 2HD1 LEU 40 -1.020 5.428 0.174 342 HD13 LEU 40 3HD1 LEU 40 0.591 5.563 0.874 343 HD21 LEU 40 3HD2 LEU 40 -0.030 5.818 -2.992 344 HD22 LEU 40 1HD2 LEU 40 1.313 5.021 -2.176 345 HD23 LEU 40 2HD2 LEU 40 1.518 6.645 -2.827 346 H SER 41 H SER 41 -2.437 9.205 0.560 347 HA SER 41 HA SER 41 -0.920 10.366 2.770 348 HB2 SER 41 2HB SER 41 -3.708 9.667 2.056 349 HB3 SER 41 1HB SER 41 -3.340 9.606 3.778 350 HG SER 41 HG SER 41 -3.300 11.765 1.995 351 HA PRO 42 HA PRO 42 0.167 6.648 4.650 352 HB2 PRO 42 2HB PRO 42 0.109 7.318 7.300 353 HB3 PRO 42 1HB PRO 42 1.356 7.897 6.178 354 HG2 PRO 42 2HG PRO 42 -1.034 9.310 7.240 355 HG3 PRO 42 1HG PRO 42 0.580 9.936 6.871 356 HD2 PRO 42 2HD PRO 42 -1.630 10.241 5.245 357 HD3 PRO 42 1HD PRO 42 0.055 10.334 4.688 358 H THR 43 H THR 43 -2.651 8.206 6.211 359 HA THR 43 HA THR 43 -3.814 6.141 7.613 360 HB THR 43 HB THR 43 -4.779 8.371 5.884 361 HG1 THR 43 1HG THR 43 -4.272 8.129 8.313 362 HG21 THR 43 3HG2 THR 43 -7.160 7.731 6.297 363 HG22 THR 43 1HG2 THR 43 -6.602 6.166 6.891 364 HG23 THR 43 2HG2 THR 43 -6.335 6.617 5.206 365 HA PRO 44 HA PRO 44 -5.461 4.080 3.645 366 HB2 PRO 44 2HB PRO 44 -4.737 5.127 1.221 367 HB3 PRO 44 1HB PRO 44 -6.170 5.673 2.114 368 HG2 PRO 44 2HG PRO 44 -3.499 6.952 1.856 369 HG3 PRO 44 1HG PRO 44 -5.101 7.694 1.957 370 HD2 PRO 44 2HD PRO 44 -3.317 7.529 4.057 371 HD3 PRO 44 1HD PRO 44 -5.073 7.725 4.236 372 H CYS 45 H CYS 45 -2.250 5.584 3.027 373 HA CYS 45 HA CYS 45 -0.918 3.653 1.572 374 HB2 CYS 45 2HB CYS 45 0.048 5.726 2.602 375 HB3 CYS 45 1HB CYS 45 0.047 4.908 4.163 376 HG CYS 45 HG CYS 45 2.321 4.191 3.415 377 H LEU 46 H LEU 46 -1.612 3.549 5.049 378 HA LEU 46 HA LEU 46 -0.553 0.920 5.515 379 HB2 LEU 46 2HB LEU 46 -2.731 2.570 6.843 380 HB3 LEU 46 1HB LEU 46 -1.994 1.131 7.551 381 HG LEU 46 HG LEU 46 0.071 2.911 6.646 382 HD11 LEU 46 1HD1 LEU 46 -0.598 4.956 7.296 383 HD12 LEU 46 2HD1 LEU 46 -1.094 4.337 8.872 384 HD13 LEU 46 3HD1 LEU 46 -2.221 4.303 7.518 385 HD21 LEU 46 3HD2 LEU 46 0.942 2.499 8.791 386 HD22 LEU 46 1HD2 LEU 46 -0.041 1.067 8.489 387 HD23 LEU 46 2HD2 LEU 46 -0.659 2.361 9.516 388 H GLU 47 H GLU 47 -3.857 2.145 4.902 389 HA GLU 47 HA GLU 47 -5.302 -0.238 4.861 390 HB2 GLU 47 2HB GLU 47 -5.364 2.263 3.164 391 HB3 GLU 47 1HB GLU 47 -6.562 0.989 2.949 392 HG2 GLU 47 2HG GLU 47 -6.816 1.181 5.561 393 HG3 GLU 47 1HG GLU 47 -6.106 2.778 5.317 394 H ARG 48 H ARG 48 -3.249 1.137 2.286 395 HA ARG 48 HA ARG 48 -3.664 -1.002 0.393 396 HB2 ARG 48 2HB ARG 48 -1.543 1.122 0.811 397 HB3 ARG 48 1HB ARG 48 -1.526 0.032 -0.579 398 HG2 ARG 48 2HG ARG 48 -3.102 1.252 -1.622 399 HG3 ARG 48 1HG ARG 48 -4.169 1.152 -0.221 400 HD2 ARG 48 2HD ARG 48 -3.355 3.145 0.707 401 HD3 ARG 48 1HD ARG 48 -1.825 3.043 -0.184 402 HE ARG 48 HE ARG 48 -2.951 4.305 -1.834 403 HH11 ARG 48 1HH1 ARG 48 -5.260 2.671 0.071 404 HH12 ARG 48 2HH1 ARG 48 -6.515 2.740 -1.122 405 HH21 ARG 48 1HH2 ARG 48 -4.481 4.120 -3.567 406 HH22 ARG 48 2HH2 ARG 48 -6.073 3.559 -3.181 407 H VAL 49 H VAL 49 -1.116 -0.282 2.774 408 HA VAL 49 HA VAL 49 0.485 -2.606 2.279 409 HB VAL 49 HB VAL 49 0.462 -0.294 3.907 410 HG11 VAL 49 1HG1 VAL 49 -0.583 -1.517 5.732 411 HG12 VAL 49 2HG1 VAL 49 1.117 -1.275 6.130 412 HG13 VAL 49 3HG1 VAL 49 0.562 -2.846 5.554 413 HG21 VAL 49 3HG2 VAL 49 2.742 -0.667 3.955 414 HG22 VAL 49 1HG2 VAL 49 2.303 -1.773 2.653 415 HG23 VAL 49 2HG2 VAL 49 2.561 -2.391 4.283 416 H ARG 50 H ARG 50 -2.061 -1.950 4.704 417 HA ARG 50 HA ARG 50 -2.133 -4.294 6.160 418 HB2 ARG 50 2HB ARG 50 -4.453 -2.774 4.927 419 HB3 ARG 50 1HB ARG 50 -4.571 -3.846 6.323 420 HG2 ARG 50 2HG ARG 50 -2.548 -1.645 6.419 421 HG3 ARG 50 1HG ARG 50 -4.244 -1.215 6.627 422 HD2 ARG 50 2HD ARG 50 -4.293 -3.175 8.348 423 HD3 ARG 50 1HD ARG 50 -2.526 -2.998 8.345 424 HE ARG 50 HE ARG 50 -2.777 -0.808 9.282 425 HH11 ARG 50 1HH1 ARG 50 -5.297 -2.486 10.294 426 HH12 ARG 50 2HH1 ARG 50 -6.479 -1.219 10.267 427 HH21 ARG 50 1HH2 ARG 50 -4.499 0.953 8.426 428 HH22 ARG 50 2HH2 ARG 50 -6.027 0.727 9.209 429 H ARG 51 H ARG 51 -3.881 -3.780 3.099 430 HA ARG 51 HA ARG 51 -4.845 -6.364 2.647 431 HB2 ARG 51 2HB ARG 51 -5.348 -4.516 1.171 432 HB3 ARG 51 1HB ARG 51 -3.641 -4.288 0.789 433 HG2 ARG 51 2HG ARG 51 -4.808 -6.978 0.246 434 HG3 ARG 51 1HG ARG 51 -5.283 -5.662 -0.828 435 HD2 ARG 51 2HD ARG 51 -2.562 -5.264 -0.632 436 HD3 ARG 51 1HD ARG 51 -2.685 -7.034 -0.600 437 HE ARG 51 HE ARG 51 -3.217 -5.404 -2.897 438 HH11 ARG 51 1HH1 ARG 51 -2.969 -8.527 -2.314 439 HH12 ARG 51 2HH1 ARG 51 -4.414 -9.057 -3.109 440 HH21 ARG 51 1HH2 ARG 51 -5.744 -5.868 -3.397 441 HH22 ARG 51 2HH2 ARG 51 -5.985 -7.552 -3.723 442 H LEU 52 H LEU 52 -1.600 -5.049 1.952 443 HA LEU 52 HA LEU 52 -0.522 -7.526 0.895 444 HB2 LEU 52 2HB LEU 52 0.596 -4.939 1.995 445 HB3 LEU 52 1HB LEU 52 1.650 -6.232 1.421 446 HG LEU 52 HG LEU 52 -0.502 -4.830 -0.192 447 HD11 LEU 52 1HD1 LEU 52 2.309 -4.314 0.280 448 HD12 LEU 52 2HD1 LEU 52 1.146 -3.363 -0.644 449 HD13 LEU 52 3HD1 LEU 52 2.026 -4.677 -1.423 450 HD21 LEU 52 3HD2 LEU 52 1.176 -6.346 -1.857 451 HD22 LEU 52 1HD2 LEU 52 -0.499 -6.710 -1.443 452 HD23 LEU 52 2HD2 LEU 52 0.815 -7.405 -0.494 453 H GLU 53 H GLU 53 -0.453 -5.940 4.087 454 HA GLU 53 HA GLU 53 1.238 -7.833 5.410 455 HB2 GLU 53 2HB GLU 53 0.877 -5.746 6.451 456 HB3 GLU 53 1HB GLU 53 -0.867 -5.822 6.198 457 HG2 GLU 53 2HG GLU 53 -1.144 -6.762 8.221 458 HG3 GLU 53 1HG GLU 53 -0.063 -8.083 7.778 459 H ARG 54 H ARG 54 -2.339 -7.530 5.565 460 HA ARG 54 HA ARG 54 -2.863 -9.916 6.980 461 HB2 ARG 54 2HB ARG 54 -5.111 -9.651 6.051 462 HB3 ARG 54 1HB ARG 54 -4.445 -8.056 6.401 463 HG2 ARG 54 2HG ARG 54 -4.457 -7.457 4.219 464 HG3 ARG 54 1HG ARG 54 -3.770 -9.001 3.711 465 HD2 ARG 54 2HD ARG 54 -6.585 -9.108 4.663 466 HD3 ARG 54 1HD ARG 54 -6.316 -8.277 3.119 467 HE ARG 54 HE ARG 54 -4.783 -10.705 3.187 468 HH11 ARG 54 1HH1 ARG 54 -6.856 -9.459 1.155 469 HH12 ARG 54 2HH1 ARG 54 -7.937 -10.802 1.002 470 HH21 ARG 54 1HH2 ARG 54 -6.667 -12.478 3.760 471 HH22 ARG 54 2HH2 ARG 54 -7.830 -12.513 2.477 472 H GLN 55 H GLN 55 -1.734 -9.490 3.740 473 HA GLN 55 HA GLN 55 -2.635 -12.154 2.834 474 HB2 GLN 55 2HB GLN 55 -1.391 -9.689 1.722 475 HB3 GLN 55 1HB GLN 55 -0.995 -11.198 0.899 476 HG2 GLN 55 2HG GLN 55 -3.817 -11.125 1.510 477 HG3 GLN 55 1HG GLN 55 -3.355 -9.673 0.621 478 HE21 GLN 55 1HE2 GLN 55 -2.149 -10.043 -1.479 479 HE22 GLN 55 2HE2 GLN 55 -2.434 -11.476 -2.343 480 H GLY 56 H GLY 56 -0.352 -11.310 4.949 481 HA2 GLY 56 2HA GLY 56 1.545 -12.461 5.734 482 HA3 GLY 56 1HA GLY 56 1.255 -13.674 4.488 483 H PHE 57 H PHE 57 1.854 -10.175 4.139 484 HA PHE 57 HA PHE 57 4.404 -10.833 2.716 485 HB2 PHE 57 2HB PHE 57 2.019 -9.202 1.821 486 HB3 PHE 57 1HB PHE 57 3.608 -8.993 1.083 487 HD1 PHE 57 1HD PHE 57 4.691 -11.711 1.070 488 HD2 PHE 57 2HD PHE 57 0.706 -10.343 0.235 489 HE1 PHE 57 1HE PHE 57 4.301 -13.711 -0.343 490 HE2 PHE 57 2HE PHE 57 0.316 -12.341 -1.180 491 HZ PHE 57 HZ PHE 57 2.115 -14.026 -1.469 492 H ILE 58 H ILE 58 3.253 -9.388 5.333 493 HA ILE 58 HA ILE 58 5.264 -7.188 5.222 494 HB ILE 58 HB ILE 58 2.488 -6.826 6.352 495 HG12 ILE 58 2HG1 ILE 58 2.405 -7.441 3.903 496 HG13 ILE 58 1HG1 ILE 58 1.811 -5.817 4.252 497 HG21 ILE 58 1HG2 ILE 58 3.023 -4.484 6.188 498 HG22 ILE 58 2HG2 ILE 58 4.488 -4.827 5.265 499 HG23 ILE 58 3HG2 ILE 58 4.390 -5.278 6.970 500 HD11 ILE 58 3HD1 ILE 58 3.704 -6.388 2.355 501 HD12 ILE 58 1HD1 ILE 58 4.713 -5.968 3.740 502 HD13 ILE 58 2HD1 ILE 58 3.521 -4.816 3.135 503 H GLN 59 H GLN 59 5.686 -9.608 6.508 504 HA GLN 59 HA GLN 59 4.977 -9.264 9.362 505 HB2 GLN 59 2HB GLN 59 5.922 -11.508 9.547 506 HB3 GLN 59 1HB GLN 59 4.871 -11.455 8.131 507 HG2 GLN 59 2HG GLN 59 7.010 -10.842 6.809 508 HG3 GLN 59 1HG GLN 59 7.886 -11.418 8.228 509 HE21 GLN 59 1HE2 GLN 59 7.251 -12.543 5.317 510 HE22 GLN 59 2HE2 GLN 59 6.861 -14.163 5.640 511 H GLY 60 H GLY 60 7.387 -8.236 7.267 512 HA2 GLY 60 2HA GLY 60 9.239 -7.759 9.558 513 HA3 GLY 60 1HA GLY 60 9.872 -8.362 8.023 514 H TYR 61 H TYR 61 8.248 -6.852 6.264 515 HA TYR 61 HA TYR 61 9.682 -4.420 6.011 516 HB2 TYR 61 2HB TYR 61 6.950 -5.317 5.052 517 HB3 TYR 61 1HB TYR 61 7.769 -3.876 4.451 518 HD1 TYR 61 1HD TYR 61 10.602 -4.856 4.460 519 HD2 TYR 61 2HD TYR 61 6.973 -6.745 3.155 520 HE1 TYR 61 1HE TYR 61 11.900 -6.262 2.884 521 HE2 TYR 61 2HE TYR 61 8.269 -8.152 1.579 522 HH TYR 61 HH TYR 61 11.664 -8.410 1.716 523 H THR 62 H THR 62 6.458 -3.493 5.881 524 HA THR 62 HA THR 62 6.823 -1.729 8.203 525 HB THR 62 HB THR 62 5.888 -1.082 5.938 526 HG1 THR 62 1HG THR 62 5.458 -0.053 8.087 527 HG21 THR 62 3HG2 THR 62 3.767 -2.957 6.899 528 HG22 THR 62 1HG2 THR 62 4.442 -2.779 5.283 529 HG23 THR 62 2HG2 THR 62 3.307 -1.581 5.902 530 H ALA 63 H ALA 63 6.259 -4.785 8.272 531 HA ALA 63 HA ALA 63 3.803 -5.563 9.190 532 HB1 ALA 63 1HB ALA 63 6.241 -6.628 9.231 533 HB2 ALA 63 2HB ALA 63 4.984 -7.243 10.305 534 HB3 ALA 63 3HB ALA 63 6.196 -6.121 10.920 535 H LEU 64 H LEU 64 6.029 -3.339 10.760 536 HA LEU 64 HA LEU 64 4.966 -3.165 13.362 537 HB2 LEU 64 2HB LEU 64 5.872 -0.795 13.173 538 HB3 LEU 64 1HB LEU 64 7.007 -2.054 12.696 539 HG LEU 64 HG LEU 64 5.731 -1.577 10.317 540 HD11 LEU 64 1HD1 LEU 64 5.033 0.592 10.086 541 HD12 LEU 64 2HD1 LEU 64 6.215 1.207 11.240 542 HD13 LEU 64 3HD1 LEU 64 4.734 0.442 11.818 543 HD21 LEU 64 3HD2 LEU 64 8.283 -1.329 11.370 544 HD22 LEU 64 1HD2 LEU 64 7.935 0.304 10.803 545 HD23 LEU 64 2HD2 LEU 64 7.846 -1.056 9.683 546 H LEU 65 H LEU 65 3.839 -1.783 10.351 547 HA LEU 65 HA LEU 65 2.051 0.171 11.015 548 HB2 LEU 65 2HB LEU 65 0.903 -0.455 9.022 549 HB3 LEU 65 1HB LEU 65 2.552 -1.045 8.792 550 HG LEU 65 HG LEU 65 1.477 -3.194 10.033 551 HD11 LEU 65 1HD1 LEU 65 -0.759 -2.089 10.139 552 HD12 LEU 65 2HD1 LEU 65 -0.786 -3.579 9.196 553 HD13 LEU 65 3HD1 LEU 65 -0.776 -2.017 8.377 554 HD21 LEU 65 3HD2 LEU 65 2.337 -3.932 8.081 555 HD22 LEU 65 1HD2 LEU 65 2.046 -2.379 7.297 556 HD23 LEU 65 2HD2 LEU 65 0.766 -3.590 7.355 557 H ASN 66 H ASN 66 1.777 -3.202 11.864 558 HA ASN 66 HA ASN 66 -0.841 -2.620 13.206 559 HB2 ASN 66 2HB ASN 66 -0.145 -4.483 11.214 560 HB3 ASN 66 1HB ASN 66 -0.274 -5.426 12.699 561 HD21 ASN 66 1HD2 ASN 66 -2.317 -6.407 12.032 562 HD22 ASN 66 2HD2 ASN 66 -3.756 -5.507 11.986 Start of MODEL 14 1 H1 MET 1 1HT MET 1 9.879 -6.279 -15.700 2 H2 MET 1 2HT MET 1 9.512 -6.753 -14.110 3 H3 MET 1 3HT MET 1 10.921 -7.325 -14.865 4 HA MET 1 HA MET 1 11.912 -5.156 -14.847 5 HB2 MET 1 2HB MET 1 10.577 -3.248 -14.088 6 HB3 MET 1 1HB MET 1 9.706 -4.089 -15.371 7 HG2 MET 1 2HG MET 1 8.962 -5.364 -12.963 8 HG3 MET 1 1HG MET 1 8.898 -3.632 -12.637 9 HE1 MET 1 2HE MET 1 5.296 -3.828 -13.168 10 HE2 MET 1 3HE MET 1 6.678 -3.861 -12.074 11 HE3 MET 1 1HE MET 1 5.998 -5.373 -12.689 12 H VAL 2 H VAL 2 11.639 -7.525 -13.073 13 HA VAL 2 HA VAL 2 12.780 -6.347 -10.650 14 HB VAL 2 HB VAL 2 10.223 -6.138 -10.521 15 HG11 VAL 2 1HG1 VAL 2 10.412 -9.123 -10.036 16 HG12 VAL 2 2HG1 VAL 2 9.869 -8.422 -11.561 17 HG13 VAL 2 3HG1 VAL 2 8.952 -8.135 -10.083 18 HG21 VAL 2 3HG2 VAL 2 10.890 -7.887 -8.259 19 HG22 VAL 2 1HG2 VAL 2 10.472 -6.174 -8.267 20 HG23 VAL 2 2HG2 VAL 2 12.132 -6.677 -8.586 21 H ASP 3 H ASP 3 13.324 -8.169 -9.050 22 HA ASP 3 HA ASP 3 13.352 -10.897 -10.200 23 HB2 ASP 3 2HB ASP 3 15.836 -10.964 -10.097 24 HB3 ASP 3 1HB ASP 3 15.272 -9.727 -11.220 25 H SER 4 H SER 4 12.540 -9.240 -7.678 26 HA SER 4 HA SER 4 13.583 -11.244 -5.725 27 HB2 SER 4 2HB SER 4 14.673 -8.783 -5.945 28 HB3 SER 4 1HB SER 4 13.337 -8.402 -4.861 29 HG SER 4 HG SER 4 14.085 -9.985 -3.451 30 H LYS 5 H LYS 5 11.526 -8.306 -5.715 31 HA LYS 5 HA LYS 5 9.651 -9.267 -3.798 32 HB2 LYS 5 2HB LYS 5 9.789 -7.152 -5.916 33 HB3 LYS 5 1HB LYS 5 8.222 -7.474 -5.172 34 HG2 LYS 5 2HG LYS 5 8.827 -6.406 -3.280 35 HG3 LYS 5 1HG LYS 5 10.308 -7.355 -3.159 36 HD2 LYS 5 2HD LYS 5 10.675 -4.860 -3.404 37 HD3 LYS 5 1HD LYS 5 11.485 -5.845 -4.623 38 HE2 LYS 5 2HE LYS 5 10.170 -3.770 -5.464 39 HE3 LYS 5 1HE LYS 5 9.851 -5.308 -6.288 40 HZ1 LYS 5 3HZ LYS 5 8.327 -4.481 -3.891 41 HZ2 LYS 5 1HZ LYS 5 7.920 -5.657 -5.043 42 HZ3 LYS 5 2HZ LYS 5 7.841 -4.010 -5.448 43 H LYS 6 H LYS 6 7.656 -10.349 -4.058 44 HA LYS 6 HA LYS 6 6.980 -11.316 -6.808 45 HB2 LYS 6 2HB LYS 6 7.778 -12.776 -4.359 46 HB3 LYS 6 1HB LYS 6 6.383 -13.445 -5.207 47 HG2 LYS 6 2HG LYS 6 8.811 -12.668 -6.788 48 HG3 LYS 6 1HG LYS 6 8.821 -14.187 -5.893 49 HD2 LYS 6 2HD LYS 6 7.393 -15.172 -7.345 50 HD3 LYS 6 1HD LYS 6 6.334 -13.763 -7.380 51 HE2 LYS 6 2HE LYS 6 7.172 -13.862 -9.597 52 HE3 LYS 6 1HE LYS 6 8.245 -12.680 -8.822 53 HZ1 LYS 6 3HZ LYS 6 9.032 -15.024 -9.997 54 HZ2 LYS 6 1HZ LYS 6 9.059 -15.381 -8.338 55 HZ3 LYS 6 2HZ LYS 6 9.965 -14.077 -8.940 56 H ARG 7 H ARG 7 5.492 -12.422 -3.848 57 HA ARG 7 HA ARG 7 3.238 -12.259 -3.140 58 HB2 ARG 7 2HB ARG 7 3.224 -9.446 -4.170 59 HB3 ARG 7 1HB ARG 7 2.748 -10.056 -2.585 60 HG2 ARG 7 2HG ARG 7 5.558 -9.618 -3.621 61 HG3 ARG 7 1HG ARG 7 4.778 -8.826 -2.252 62 HD2 ARG 7 2HD ARG 7 4.559 -11.564 -1.680 63 HD3 ARG 7 1HD ARG 7 6.204 -11.361 -2.315 64 HE ARG 7 HE ARG 7 5.159 -9.497 -0.223 65 HH11 ARG 7 1HH2 ARG 7 7.023 -12.269 -0.856 66 HH12 ARG 7 2HH2 ARG 7 8.352 -11.795 0.149 67 HH21 ARG 7 1HH1 ARG 7 7.057 -8.654 0.839 68 HH22 ARG 7 2HH1 ARG 7 8.371 -9.749 1.108 69 HA PRO 8 HA PRO 8 0.459 -12.366 -6.557 70 HB2 PRO 8 2HB PRO 8 -1.536 -10.517 -6.204 71 HB3 PRO 8 1HB PRO 8 -1.415 -12.015 -5.260 72 HG2 PRO 8 2HG PRO 8 -0.720 -9.238 -4.498 73 HG3 PRO 8 1HG PRO 8 -1.340 -10.562 -3.505 74 HD2 PRO 8 2HD PRO 8 1.297 -9.723 -3.579 75 HD3 PRO 8 1HD PRO 8 0.751 -11.311 -3.005 76 H GLY 9 H GLY 9 2.622 -11.089 -7.416 77 HA2 GLY 9 2HA GLY 9 2.450 -8.433 -8.347 78 HA3 GLY 9 1HA GLY 9 3.415 -9.690 -9.121 79 H LYS 10 H LYS 10 1.195 -11.427 -9.777 80 HA LYS 10 HA LYS 10 0.406 -10.313 -12.302 81 HB2 LYS 10 2HB LYS 10 0.529 -12.674 -12.075 82 HB3 LYS 10 1HB LYS 10 -0.435 -12.660 -10.598 83 HG2 LYS 10 2HG LYS 10 -2.420 -11.986 -11.866 84 HG3 LYS 10 1HG LYS 10 -1.468 -11.912 -13.350 85 HD2 LYS 10 2HD LYS 10 -0.904 -14.355 -12.998 86 HD3 LYS 10 1HD LYS 10 -2.088 -14.369 -11.690 87 HE2 LYS 10 2HE LYS 10 -3.878 -13.759 -13.229 88 HE3 LYS 10 1HE LYS 10 -2.713 -13.560 -14.553 89 HZ1 LYS 10 3HZ LYS 10 -3.701 -15.767 -14.614 90 HZ2 LYS 10 1HZ LYS 10 -3.200 -16.061 -13.020 91 HZ3 LYS 10 2HZ LYS 10 -2.044 -15.873 -14.252 92 H ASP 11 H ASP 11 -0.719 -9.695 -9.189 93 HA ASP 11 HA ASP 11 -2.943 -8.077 -10.176 94 HB2 ASP 11 2HB ASP 11 -4.463 -9.503 -8.503 95 HB3 ASP 11 1HB ASP 11 -4.246 -10.009 -10.177 96 H LEU 12 H LEU 12 -1.363 -6.628 -9.002 97 HA LEU 12 HA LEU 12 -1.901 -6.664 -6.052 98 HB2 LEU 12 2HB LEU 12 0.481 -7.159 -7.372 99 HB3 LEU 12 1HB LEU 12 0.611 -5.447 -6.966 100 HG LEU 12 HG LEU 12 -0.036 -7.679 -5.023 101 HD11 LEU 12 1HD1 LEU 12 2.161 -7.576 -4.299 102 HD12 LEU 12 2HD1 LEU 12 2.370 -5.912 -4.842 103 HD13 LEU 12 3HD1 LEU 12 2.390 -7.231 -6.013 104 HD21 LEU 12 3HD2 LEU 12 -0.335 -4.771 -4.928 105 HD22 LEU 12 1HD2 LEU 12 0.673 -5.389 -3.620 106 HD23 LEU 12 2HD2 LEU 12 -0.970 -5.997 -3.831 107 H ASP 13 H ASP 13 -2.310 -4.628 -5.127 108 HA ASP 13 HA ASP 13 -3.300 -2.528 -6.819 109 HB2 ASP 13 2HB ASP 13 -3.766 -3.219 -4.330 110 HB3 ASP 13 1HB ASP 13 -2.394 -2.170 -3.967 111 H ARG 14 H ARG 14 -2.266 -0.716 -7.606 112 HA ARG 14 HA ARG 14 0.507 -0.608 -7.968 113 HB2 ARG 14 2HB ARG 14 -1.573 1.596 -7.789 114 HB3 ARG 14 1HB ARG 14 0.033 1.807 -8.486 115 HG2 ARG 14 2HG ARG 14 -2.187 -0.000 -9.468 116 HG3 ARG 14 1HG ARG 14 -1.431 1.345 -10.323 117 HD2 ARG 14 2HD ARG 14 0.761 -0.202 -9.793 118 HD3 ARG 14 1HD ARG 14 -0.488 -1.443 -10.012 119 HE ARG 14 HE ARG 14 -0.327 0.760 -12.008 120 HH11 ARG 14 1HH2 ARG 14 -1.533 -2.250 -11.659 121 HH12 ARG 14 2HH2 ARG 14 -0.761 -2.961 -13.037 122 HH21 ARG 14 1HH1 ARG 14 1.359 -0.268 -13.568 123 HH22 ARG 14 2HH1 ARG 14 0.877 -1.838 -14.117 124 H ILE 15 H ILE 15 -1.411 0.490 -5.228 125 HA ILE 15 HA ILE 15 0.757 2.030 -4.014 126 HB ILE 15 HB ILE 15 -1.781 0.958 -2.768 127 HG12 ILE 15 2HG1 ILE 15 -2.529 2.003 -4.773 128 HG13 ILE 15 1HG1 ILE 15 -2.691 3.245 -3.532 129 HG21 ILE 15 1HG2 ILE 15 0.343 2.749 -1.953 130 HG22 ILE 15 2HG2 ILE 15 -1.021 2.144 -1.010 131 HG23 ILE 15 3HG2 ILE 15 -1.201 3.602 -1.986 132 HD11 ILE 15 3HD1 ILE 15 -0.822 3.105 -5.831 133 HD12 ILE 15 1HD1 ILE 15 -0.136 3.702 -4.320 134 HD13 ILE 15 2HD1 ILE 15 -1.527 4.513 -5.038 135 H ASP 16 H ASP 16 -0.481 -1.262 -3.784 136 HA ASP 16 HA ASP 16 1.078 -1.881 -1.373 137 HB2 ASP 16 2HB ASP 16 -0.608 -3.418 -3.365 138 HB3 ASP 16 1HB ASP 16 0.244 -4.229 -2.052 139 H ARG 17 H ARG 17 1.363 -2.429 -4.882 140 HA ARG 17 HA ARG 17 3.693 -4.125 -4.705 141 HB2 ARG 17 2HB ARG 17 3.636 -3.989 -7.065 142 HB3 ARG 17 1HB ARG 17 1.953 -3.739 -6.605 143 HG2 ARG 17 2HG ARG 17 2.249 -1.305 -6.764 144 HG3 ARG 17 1HG ARG 17 3.952 -1.527 -7.167 145 HD2 ARG 17 2HD ARG 17 2.828 -3.125 -9.053 146 HD3 ARG 17 1HD ARG 17 1.554 -1.905 -8.873 147 HE ARG 17 HE ARG 17 3.595 -0.241 -9.046 148 HH11 ARG 17 1HH2 ARG 17 2.287 -2.179 -11.352 149 HH12 ARG 17 2HH2 ARG 17 3.667 -2.227 -12.398 150 HH21 ARG 17 1HH1 ARG 17 5.800 -0.759 -10.090 151 HH22 ARG 17 2HH1 ARG 17 5.656 -1.423 -11.683 152 H ASN 18 H ASN 18 3.235 -0.666 -5.307 153 HA ASN 18 HA ASN 18 6.039 -0.048 -5.578 154 HB2 ASN 18 2HB ASN 18 3.490 1.459 -4.988 155 HB3 ASN 18 1HB ASN 18 5.045 2.293 -4.967 156 HD21 ASN 18 1HD2 ASN 18 3.925 3.446 -6.911 157 HD22 ASN 18 2HD2 ASN 18 4.130 2.737 -8.438 158 H ILE 19 H ILE 19 3.773 -0.175 -2.859 159 HA ILE 19 HA ILE 19 5.576 0.937 -0.899 160 HB ILE 19 HB ILE 19 3.074 -0.751 -0.891 161 HG12 ILE 19 2HG1 ILE 19 3.684 2.014 0.200 162 HG13 ILE 19 1HG1 ILE 19 2.983 1.704 -1.389 163 HG21 ILE 19 1HG2 ILE 19 3.549 -1.484 1.186 164 HG22 ILE 19 2HG2 ILE 19 3.533 0.194 1.725 165 HG23 ILE 19 3HG2 ILE 19 5.046 -0.554 1.220 166 HD11 ILE 19 3HD1 ILE 19 0.956 1.680 -0.406 167 HD12 ILE 19 1HD1 ILE 19 1.681 1.751 1.200 168 HD13 ILE 19 2HD1 ILE 19 1.438 0.193 0.411 169 H LEU 20 H LEU 20 4.866 -2.345 -2.070 170 HA LEU 20 HA LEU 20 6.492 -3.747 -0.149 171 HB2 LEU 20 2HB LEU 20 5.223 -4.225 -2.817 172 HB3 LEU 20 1HB LEU 20 6.480 -5.354 -2.313 173 HG LEU 20 HG LEU 20 4.066 -4.613 -0.633 174 HD11 LEU 20 1HD1 LEU 20 2.978 -5.995 -2.068 175 HD12 LEU 20 2HD1 LEU 20 3.869 -7.288 -1.266 176 HD13 LEU 20 3HD1 LEU 20 4.481 -6.595 -2.768 177 HD21 LEU 20 3HD2 LEU 20 6.473 -5.581 0.210 178 HD22 LEU 20 1HD2 LEU 20 5.624 -7.084 -0.148 179 HD23 LEU 20 2HD2 LEU 20 4.942 -5.941 1.006 180 H ASN 21 H ASN 21 7.139 -2.253 -3.314 181 HA ASN 21 HA ASN 21 9.852 -3.210 -3.578 182 HB2 ASN 21 2HB ASN 21 8.732 -2.392 -5.514 183 HB3 ASN 21 1HB ASN 21 8.213 -0.923 -4.689 184 HD21 ASN 21 1HD2 ASN 21 9.278 0.541 -6.173 185 HD22 ASN 21 2HD2 ASN 21 10.968 0.647 -6.278 186 H GLU 22 H GLU 22 8.348 -0.391 -2.052 187 HA GLU 22 HA GLU 22 10.839 0.956 -1.426 188 HB2 GLU 22 2HB GLU 22 7.930 1.148 -0.733 189 HB3 GLU 22 1HB GLU 22 9.081 2.014 0.287 190 HG2 GLU 22 2HG GLU 22 9.598 3.517 -1.351 191 HG3 GLU 22 1HG GLU 22 9.505 2.304 -2.629 192 H LEU 23 H LEU 23 8.653 -1.245 0.330 193 HA LEU 23 HA LEU 23 10.079 -1.141 2.831 194 HB2 LEU 23 2HB LEU 23 8.148 -3.018 1.467 195 HB3 LEU 23 1HB LEU 23 8.832 -3.424 3.042 196 HG LEU 23 HG LEU 23 7.445 -0.797 2.458 197 HD11 LEU 23 1HD1 LEU 23 6.263 -3.345 2.650 198 HD12 LEU 23 2HD1 LEU 23 5.446 -1.787 2.767 199 HD13 LEU 23 3HD1 LEU 23 6.017 -2.594 4.227 200 HD21 LEU 23 3HD2 LEU 23 9.145 -1.097 4.390 201 HD22 LEU 23 1HD2 LEU 23 7.921 -2.128 5.124 202 HD23 LEU 23 2HD2 LEU 23 7.562 -0.436 4.797 203 H GLN 24 H GLN 24 10.343 -3.155 -0.075 204 HA GLN 24 HA GLN 24 12.262 -5.036 0.927 205 HB2 GLN 24 2HB GLN 24 10.991 -5.379 -1.125 206 HB3 GLN 24 1HB GLN 24 11.663 -3.909 -1.830 207 HG2 GLN 24 2HG GLN 24 12.882 -5.781 -2.749 208 HG3 GLN 24 1HG GLN 24 13.950 -4.951 -1.617 209 HE21 GLN 24 1HE2 GLN 24 15.111 -6.500 -0.470 210 HE22 GLN 24 2HE2 GLN 24 14.463 -7.938 0.157 211 H LYS 25 H LYS 25 12.571 -1.863 -0.672 212 HA LYS 25 HA LYS 25 15.498 -1.915 -0.617 213 HB2 LYS 25 2HB LYS 25 15.083 -0.318 -2.175 214 HB3 LYS 25 1HB LYS 25 13.363 -0.453 -1.823 215 HG2 LYS 25 2HG LYS 25 13.556 1.204 -0.037 216 HG3 LYS 25 1HG LYS 25 15.303 1.287 -0.270 217 HD2 LYS 25 2HD LYS 25 15.038 2.815 -1.898 218 HD3 LYS 25 1HD LYS 25 14.017 1.697 -2.802 219 HE2 LYS 25 2HE LYS 25 12.231 3.014 -2.346 220 HE3 LYS 25 1HE LYS 25 12.465 2.691 -0.616 221 HZ1 LYS 25 3HZ LYS 25 12.711 5.107 -1.511 222 HZ2 LYS 25 1HZ LYS 25 14.247 4.580 -2.000 223 HZ3 LYS 25 2HZ LYS 25 13.814 4.521 -0.359 224 H ASP 26 H ASP 26 12.928 -0.857 1.490 225 HA ASP 26 HA ASP 26 15.003 0.108 3.412 226 HB2 ASP 26 2HB ASP 26 13.052 1.611 2.034 227 HB3 ASP 26 1HB ASP 26 12.437 1.446 3.679 228 H GLY 27 H GLY 27 14.881 -1.805 4.689 229 HA2 GLY 27 2HA GLY 27 12.250 -2.800 5.556 230 HA3 GLY 27 1HA GLY 27 13.813 -3.501 5.976 231 H ARG 28 H ARG 28 12.811 -0.118 6.371 232 HA ARG 28 HA ARG 28 12.565 -0.457 9.300 233 HB2 ARG 28 2HB ARG 28 14.418 1.106 9.724 234 HB3 ARG 28 1HB ARG 28 15.000 -0.263 8.773 235 HG2 ARG 28 2HG ARG 28 13.958 2.080 7.257 236 HG3 ARG 28 1HG ARG 28 15.508 2.284 8.075 237 HD2 ARG 28 2HD ARG 28 15.092 -0.227 6.492 238 HD3 ARG 28 1HD ARG 28 15.408 1.281 5.609 239 HE ARG 28 HE ARG 28 17.207 1.030 7.851 240 HH11 ARG 28 1HH1 ARG 28 17.002 1.085 4.520 241 HH12 ARG 28 2HH1 ARG 28 18.440 0.163 4.230 242 HH21 ARG 28 1HH2 ARG 28 18.877 -0.693 7.563 243 HH22 ARG 28 2HH2 ARG 28 19.501 -0.845 5.955 244 H ILE 29 H ILE 29 11.077 0.604 6.796 245 HA ILE 29 HA ILE 29 10.642 3.428 7.645 246 HB ILE 29 HB ILE 29 11.153 2.996 5.297 247 HG12 ILE 29 2HG1 ILE 29 8.219 3.605 5.763 248 HG13 ILE 29 1HG1 ILE 29 9.537 4.776 5.705 249 HG21 ILE 29 1HG2 ILE 29 9.334 0.755 5.770 250 HG22 ILE 29 2HG2 ILE 29 10.571 0.950 4.528 251 HG23 ILE 29 3HG2 ILE 29 8.960 1.623 4.282 252 HD11 ILE 29 3HD1 ILE 29 8.010 3.701 3.524 253 HD12 ILE 29 1HD1 ILE 29 9.698 3.226 3.329 254 HD13 ILE 29 2HD1 ILE 29 9.272 4.931 3.478 255 H SER 30 H SER 30 8.662 4.089 8.458 256 HA SER 30 HA SER 30 6.819 1.986 9.356 257 HB2 SER 30 2HB SER 30 7.371 3.731 10.893 258 HB3 SER 30 1HB SER 30 7.068 4.984 9.692 259 HG SER 30 HG SER 30 5.140 3.214 10.801 260 H ASN 31 H ASN 31 4.920 4.641 8.917 261 HA ASN 31 HA ASN 31 3.941 3.683 6.243 262 HB2 ASN 31 2HB ASN 31 1.690 4.210 7.122 263 HB3 ASN 31 1HB ASN 31 2.517 3.069 8.183 264 HD21 ASN 31 1HD2 ASN 31 3.363 3.907 10.250 265 HD22 ASN 31 2HD2 ASN 31 2.788 5.369 10.890 266 H VAL 32 H VAL 32 4.041 6.527 8.440 267 HA VAL 32 HA VAL 32 3.082 8.527 6.761 268 HB VAL 32 HB VAL 32 5.609 8.682 8.443 269 HG11 VAL 32 1HG1 VAL 32 4.904 10.995 8.812 270 HG12 VAL 32 2HG1 VAL 32 3.443 10.725 7.862 271 HG13 VAL 32 3HG1 VAL 32 5.023 10.685 7.079 272 HG21 VAL 32 3HG2 VAL 32 3.790 9.405 10.203 273 HG22 VAL 32 1HG2 VAL 32 4.106 7.691 9.935 274 HG23 VAL 32 2HG2 VAL 32 2.704 8.457 9.187 275 H GLU 33 H GLU 33 6.546 7.622 6.972 276 HA GLU 33 HA GLU 33 7.335 8.988 4.583 277 HB2 GLU 33 2HB GLU 33 8.671 7.961 6.584 278 HB3 GLU 33 1HB GLU 33 8.593 6.461 5.660 279 HG2 GLU 33 2HG GLU 33 10.080 7.198 4.104 280 HG3 GLU 33 1HG GLU 33 9.400 8.826 4.089 281 H LEU 34 H LEU 34 5.955 5.817 5.223 282 HA LEU 34 HA LEU 34 6.443 4.715 2.592 283 HB2 LEU 34 2HB LEU 34 5.990 3.571 4.862 284 HB3 LEU 34 1HB LEU 34 4.292 3.925 4.539 285 HG LEU 34 HG LEU 34 4.819 2.860 2.200 286 HD11 LEU 34 1HD1 LEU 34 6.458 0.868 2.794 287 HD12 LEU 34 2HD1 LEU 34 7.107 2.034 3.946 288 HD13 LEU 34 3HD1 LEU 34 7.095 2.410 2.222 289 HD21 LEU 34 3HD2 LEU 34 4.656 0.536 3.718 290 HD22 LEU 34 1HD2 LEU 34 3.290 1.517 3.185 291 HD23 LEU 34 2HD2 LEU 34 3.991 1.774 4.783 292 H SER 35 H SER 35 4.178 6.939 3.901 293 HA SER 35 HA SER 35 2.038 6.381 1.970 294 HB2 SER 35 2HB SER 35 0.874 7.981 3.229 295 HB3 SER 35 1HB SER 35 1.979 7.287 4.420 296 HG SER 35 HG SER 35 1.858 9.812 3.395 297 H LYS 36 H LYS 36 4.602 8.806 2.432 298 HA LYS 36 HA LYS 36 3.771 10.320 0.041 299 HB2 LYS 36 2HB LYS 36 6.221 10.550 1.821 300 HB3 LYS 36 1HB LYS 36 5.588 11.793 0.742 301 HG2 LYS 36 2HG LYS 36 3.491 11.856 2.064 302 HG3 LYS 36 1HG LYS 36 4.162 10.649 3.163 303 HD2 LYS 36 2HD LYS 36 6.097 12.723 2.889 304 HD3 LYS 36 1HD LYS 36 4.540 13.490 3.204 305 HE2 LYS 36 2HE LYS 36 4.760 11.194 4.913 306 HE3 LYS 36 1HE LYS 36 6.230 12.173 5.086 307 HZ1 LYS 36 3HZ LYS 36 3.414 13.088 5.304 308 HZ2 LYS 36 1HZ LYS 36 4.728 14.153 5.177 309 HZ3 LYS 36 2HZ LYS 36 4.604 13.116 6.517 310 H ARG 37 H ARG 37 5.911 7.701 0.800 311 HA ARG 37 HA ARG 37 7.810 8.128 -1.354 312 HB2 ARG 37 2HB ARG 37 7.071 5.957 0.580 313 HB3 ARG 37 1HB ARG 37 8.154 5.574 -0.758 314 HG2 ARG 37 2HG ARG 37 8.978 8.059 0.413 315 HG3 ARG 37 1HG ARG 37 8.803 6.859 1.692 316 HD2 ARG 37 2HD ARG 37 10.286 5.317 0.538 317 HD3 ARG 37 1HD ARG 37 10.360 6.391 -0.872 318 HE ARG 37 HE ARG 37 11.911 6.725 1.521 319 HH11 ARG 37 1HH2 ARG 37 10.193 8.352 -0.982 320 HH12 ARG 37 2HH2 ARG 37 10.934 9.887 -0.678 321 HH21 ARG 37 1HH1 ARG 37 12.798 8.754 2.018 322 HH22 ARG 37 2HH1 ARG 37 12.408 10.115 1.020 323 H VAL 38 H VAL 38 4.648 6.841 -1.171 324 HA VAL 38 HA VAL 38 4.959 5.577 -3.864 325 HB VAL 38 HB VAL 38 2.625 4.606 -3.023 326 HG11 VAL 38 1HG1 VAL 38 5.346 3.755 -2.964 327 HG12 VAL 38 2HG1 VAL 38 3.895 2.754 -3.057 328 HG13 VAL 38 3HG1 VAL 38 4.570 3.185 -1.486 329 HG21 VAL 38 3HG2 VAL 38 2.625 6.049 -0.986 330 HG22 VAL 38 1HG2 VAL 38 4.090 5.232 -0.448 331 HG23 VAL 38 2HG2 VAL 38 2.584 4.330 -0.594 332 H GLY 39 H GLY 39 3.681 8.236 -2.212 333 HA2 GLY 39 2HA GLY 39 2.709 10.125 -3.306 334 HA3 GLY 39 1HA GLY 39 2.276 9.088 -4.662 335 H LEU 40 H LEU 40 1.546 8.589 -1.204 336 HA LEU 40 HA LEU 40 -1.322 9.198 -1.722 337 HB2 LEU 40 2HB LEU 40 -1.750 6.900 -0.520 338 HB3 LEU 40 1HB LEU 40 -1.373 6.904 -2.244 339 HG LEU 40 HG LEU 40 1.038 6.877 -0.627 340 HD11 LEU 40 1HD1 LEU 40 -1.166 5.214 0.274 341 HD12 LEU 40 2HD1 LEU 40 0.437 5.410 0.981 342 HD13 LEU 40 3HD1 LEU 40 0.176 4.219 -0.292 343 HD21 LEU 40 3HD2 LEU 40 -0.196 5.458 -2.931 344 HD22 LEU 40 1HD2 LEU 40 1.053 4.583 -2.047 345 HD23 LEU 40 2HD2 LEU 40 1.416 6.148 -2.771 346 H SER 41 H SER 41 -2.576 9.045 0.380 347 HA SER 41 HA SER 41 -1.137 10.376 2.531 348 HB2 SER 41 2HB SER 41 -3.900 9.329 1.993 349 HB3 SER 41 1HB SER 41 -3.463 9.791 3.637 350 HG SER 41 HG SER 41 -3.658 11.787 3.048 351 HA PRO 42 HA PRO 42 0.145 6.838 4.625 352 HB2 PRO 42 2HB PRO 42 0.121 7.710 7.216 353 HB3 PRO 42 1HB PRO 42 1.328 8.232 6.026 354 HG2 PRO 42 2HG PRO 42 -1.102 9.649 7.001 355 HG3 PRO 42 1HG PRO 42 0.498 10.294 6.602 356 HD2 PRO 42 2HD PRO 42 -1.679 10.461 4.941 357 HD3 PRO 42 1HD PRO 42 0.007 10.474 4.375 358 H THR 43 H THR 43 -2.627 8.420 6.275 359 HA THR 43 HA THR 43 -3.681 6.368 7.779 360 HB THR 43 HB THR 43 -4.800 8.540 6.061 361 HG1 THR 43 1HG THR 43 -5.607 7.955 8.660 362 HG21 THR 43 3HG2 THR 43 -7.109 7.680 7.123 363 HG22 THR 43 1HG2 THR 43 -6.318 6.117 6.910 364 HG23 THR 43 2HG2 THR 43 -6.575 7.173 5.520 365 HA PRO 44 HA PRO 44 -5.534 4.224 3.944 366 HB2 PRO 44 2HB PRO 44 -4.914 5.212 1.467 367 HB3 PRO 44 1HB PRO 44 -6.306 5.783 2.407 368 HG2 PRO 44 2HG PRO 44 -3.644 7.047 2.006 369 HG3 PRO 44 1HG PRO 44 -5.240 7.797 2.153 370 HD2 PRO 44 2HD PRO 44 -3.377 7.684 4.183 371 HD3 PRO 44 1HD PRO 44 -5.125 7.878 4.428 372 H CYS 45 H CYS 45 -2.335 5.698 3.217 373 HA CYS 45 HA CYS 45 -1.057 3.771 1.713 374 HB2 CYS 45 2HB CYS 45 -0.035 5.820 2.706 375 HB3 CYS 45 1HB CYS 45 -0.033 5.032 4.282 376 HG CYS 45 HG CYS 45 1.906 4.416 1.972 377 H LEU 46 H LEU 46 -1.645 3.630 5.214 378 HA LEU 46 HA LEU 46 -0.568 1.009 5.640 379 HB2 LEU 46 2HB LEU 46 -2.750 2.626 7.005 380 HB3 LEU 46 1HB LEU 46 -1.993 1.187 7.697 381 HG LEU 46 HG LEU 46 0.093 2.902 6.812 382 HD11 LEU 46 1HD1 LEU 46 -0.533 5.008 7.289 383 HD12 LEU 46 2HD1 LEU 46 -1.137 4.516 8.873 384 HD13 LEU 46 3HD1 LEU 46 -2.187 4.418 7.459 385 HD21 LEU 46 3HD2 LEU 46 -0.836 2.486 9.659 386 HD22 LEU 46 1HD2 LEU 46 0.813 2.718 9.078 387 HD23 LEU 46 2HD2 LEU 46 -0.038 1.213 8.734 388 H GLU 47 H GLU 47 -3.890 2.187 5.062 389 HA GLU 47 HA GLU 47 -5.313 -0.208 5.022 390 HB2 GLU 47 2HB GLU 47 -5.440 2.440 3.742 391 HB3 GLU 47 1HB GLU 47 -6.300 1.185 2.856 392 HG2 GLU 47 2HG GLU 47 -6.691 1.260 5.809 393 HG3 GLU 47 1HG GLU 47 -7.441 2.552 4.870 394 H ARG 48 H ARG 48 -3.265 1.188 2.467 395 HA ARG 48 HA ARG 48 -3.689 -0.890 0.516 396 HB2 ARG 48 2HB ARG 48 -1.280 0.910 0.917 397 HB3 ARG 48 1HB ARG 48 -1.833 0.205 -0.603 398 HG2 ARG 48 2HG ARG 48 -3.839 1.833 0.851 399 HG3 ARG 48 1HG ARG 48 -2.469 2.725 0.192 400 HD2 ARG 48 2HD ARG 48 -3.108 2.345 -1.978 401 HD3 ARG 48 1HD ARG 48 -3.691 0.708 -1.622 402 HE ARG 48 HE ARG 48 -5.634 1.898 -0.428 403 HH11 ARG 48 1HH1 ARG 48 -4.605 2.423 -3.553 404 HH12 ARG 48 2HH1 ARG 48 -5.509 3.878 -3.807 405 HH21 ARG 48 1HH2 ARG 48 -6.468 4.176 -0.488 406 HH22 ARG 48 2HH2 ARG 48 -6.564 4.871 -2.071 407 H VAL 49 H VAL 49 -0.907 -0.214 2.655 408 HA VAL 49 HA VAL 49 0.542 -2.601 2.206 409 HB VAL 49 HB VAL 49 0.299 -0.466 4.267 410 HG11 VAL 49 1HG1 VAL 49 1.213 -3.249 4.874 411 HG12 VAL 49 2HG1 VAL 49 0.452 -2.063 5.933 412 HG13 VAL 49 3HG1 VAL 49 2.159 -1.915 5.529 413 HG21 VAL 49 3HG2 VAL 49 2.631 -0.200 3.810 414 HG22 VAL 49 1HG2 VAL 49 1.859 -0.522 2.258 415 HG23 VAL 49 2HG2 VAL 49 2.743 -1.805 3.086 416 H ARG 50 H ARG 50 -1.823 -1.870 4.796 417 HA ARG 50 HA ARG 50 -1.927 -4.218 6.214 418 HB2 ARG 50 2HB ARG 50 -4.268 -2.635 5.106 419 HB3 ARG 50 1HB ARG 50 -4.328 -3.686 6.522 420 HG2 ARG 50 2HG ARG 50 -2.186 -1.640 6.553 421 HG3 ARG 50 1HG ARG 50 -3.832 -1.014 6.660 422 HD2 ARG 50 2HD ARG 50 -4.057 -3.018 8.434 423 HD3 ARG 50 1HD ARG 50 -2.317 -2.700 8.598 424 HE ARG 50 HE ARG 50 -2.829 -0.494 9.376 425 HH11 ARG 50 1HH2 ARG 50 -5.147 -1.986 10.667 426 HH12 ARG 50 2HH2 ARG 50 -6.480 -0.961 10.251 427 HH21 ARG 50 1HH1 ARG 50 -4.738 0.745 7.783 428 HH22 ARG 50 2HH1 ARG 50 -6.248 0.585 8.616 429 H ARG 51 H ARG 51 -3.633 -3.625 3.150 430 HA ARG 51 HA ARG 51 -4.798 -6.146 2.737 431 HB2 ARG 51 2HB ARG 51 -5.363 -4.783 0.993 432 HB3 ARG 51 1HB ARG 51 -3.893 -3.828 1.172 433 HG2 ARG 51 2HG ARG 51 -3.877 -4.932 -1.006 434 HG3 ARG 51 1HG ARG 51 -2.621 -5.634 0.011 435 HD2 ARG 51 2HD ARG 51 -3.559 -7.645 -0.524 436 HD3 ARG 51 1HD ARG 51 -4.860 -7.188 0.595 437 HE ARG 51 HE ARG 51 -5.694 -5.898 -1.609 438 HH11 ARG 51 1HH1 ARG 51 -5.379 -9.130 -0.755 439 HH12 ARG 51 2HH1 ARG 51 -5.722 -9.762 -2.330 440 HH21 ARG 51 1HH2 ARG 51 -5.683 -6.657 -3.874 441 HH22 ARG 51 2HH2 ARG 51 -5.896 -8.362 -4.096 442 H LEU 52 H LEU 52 -1.482 -5.054 2.001 443 HA LEU 52 HA LEU 52 -0.560 -7.570 0.931 444 HB2 LEU 52 2HB LEU 52 0.725 -5.123 2.157 445 HB3 LEU 52 1HB LEU 52 1.690 -6.472 1.560 446 HG LEU 52 HG LEU 52 -0.349 -4.941 -0.080 447 HD11 LEU 52 1HD1 LEU 52 2.109 -4.551 -1.237 448 HD12 LEU 52 2HD1 LEU 52 2.519 -4.536 0.479 449 HD13 LEU 52 3HD1 LEU 52 1.325 -3.402 -0.152 450 HD21 LEU 52 3HD2 LEU 52 -0.251 -6.992 -1.143 451 HD22 LEU 52 1HD2 LEU 52 1.365 -7.348 -0.534 452 HD23 LEU 52 2HD2 LEU 52 1.156 -6.227 -1.878 453 H GLU 53 H GLU 53 -1.134 -6.419 4.156 454 HA GLU 53 HA GLU 53 0.696 -8.153 5.573 455 HB2 GLU 53 2HB GLU 53 -1.011 -6.033 6.107 456 HB3 GLU 53 1HB GLU 53 -1.804 -7.385 6.916 457 HG2 GLU 53 2HG GLU 53 1.070 -7.433 7.357 458 HG3 GLU 53 1HG GLU 53 0.364 -5.907 7.892 459 H ARG 54 H ARG 54 -2.884 -8.324 5.426 460 HA ARG 54 HA ARG 54 -3.283 -10.866 6.473 461 HB2 ARG 54 2HB ARG 54 -4.672 -9.682 4.046 462 HB3 ARG 54 1HB ARG 54 -5.365 -10.816 5.207 463 HG2 ARG 54 2HG ARG 54 -4.522 -8.826 6.874 464 HG3 ARG 54 1HG ARG 54 -4.952 -7.898 5.438 465 HD2 ARG 54 2HD ARG 54 -6.874 -10.014 6.328 466 HD3 ARG 54 1HD ARG 54 -6.800 -8.511 7.268 467 HE ARG 54 HE ARG 54 -6.809 -7.769 4.540 468 HH11 ARG 54 1HH1 ARG 54 -8.743 -10.148 4.552 469 HH12 ARG 54 2HH1 ARG 54 -10.254 -9.338 4.791 470 HH21 ARG 54 1HH2 ARG 54 -8.799 -6.369 5.837 471 HH22 ARG 54 2HH2 ARG 54 -10.287 -7.198 5.520 472 H GLN 55 H GLN 55 -1.873 -10.042 3.378 473 HA GLN 55 HA GLN 55 -2.156 -12.764 2.284 474 HB2 GLN 55 2HB GLN 55 -0.910 -10.144 1.440 475 HB3 GLN 55 1HB GLN 55 -0.632 -11.617 0.511 476 HG2 GLN 55 2HG GLN 55 -3.442 -10.878 1.262 477 HG3 GLN 55 1HG GLN 55 -2.667 -10.047 -0.087 478 HE21 GLN 55 1HE2 GLN 55 -4.105 -13.062 0.936 479 HE22 GLN 55 2HE2 GLN 55 -3.895 -13.891 -0.531 480 H GLY 56 H GLY 56 -0.366 -11.734 4.746 481 HA2 GLY 56 2HA GLY 56 1.656 -12.428 5.708 482 HA3 GLY 56 1HA GLY 56 1.573 -13.807 4.611 483 H PHE 57 H PHE 57 2.044 -10.282 4.149 484 HA PHE 57 HA PHE 57 4.621 -10.901 2.769 485 HB2 PHE 57 2HB PHE 57 2.204 -9.399 1.746 486 HB3 PHE 57 1HB PHE 57 3.801 -9.182 1.031 487 HD1 PHE 57 1HD PHE 57 4.905 -11.936 1.279 488 HD2 PHE 57 2HD PHE 57 1.007 -10.583 0.086 489 HE1 PHE 57 1HE PHE 57 4.591 -14.009 -0.043 490 HE2 PHE 57 2HE PHE 57 0.694 -12.657 -1.238 491 HZ PHE 57 HZ PHE 57 2.486 -14.369 -1.303 492 H ILE 58 H ILE 58 3.288 -9.347 5.261 493 HA ILE 58 HA ILE 58 5.207 -7.064 5.067 494 HB ILE 58 HB ILE 58 2.439 -6.834 6.247 495 HG12 ILE 58 2HG1 ILE 58 2.319 -7.559 3.837 496 HG13 ILE 58 1HG1 ILE 58 1.655 -5.949 4.121 497 HG21 ILE 58 1HG2 ILE 58 4.211 -4.729 4.990 498 HG22 ILE 58 2HG2 ILE 58 4.331 -5.164 6.698 499 HG23 ILE 58 3HG2 ILE 58 2.830 -4.490 6.063 500 HD11 ILE 58 3HD1 ILE 58 3.532 -6.535 2.206 501 HD12 ILE 58 1HD1 ILE 58 4.546 -5.977 3.538 502 HD13 ILE 58 2HD1 ILE 58 3.277 -4.932 2.896 503 H GLN 59 H GLN 59 5.241 -9.694 6.484 504 HA GLN 59 HA GLN 59 4.876 -9.049 9.326 505 HB2 GLN 59 2HB GLN 59 5.661 -11.359 9.599 506 HB3 GLN 59 1HB GLN 59 4.480 -11.295 8.290 507 HG2 GLN 59 2HG GLN 59 6.396 -11.073 6.669 508 HG3 GLN 59 1HG GLN 59 7.496 -11.362 8.018 509 HE21 GLN 59 1HE2 GLN 59 6.909 -13.471 9.328 510 HE22 GLN 59 2HE2 GLN 59 6.445 -14.815 8.401 511 H GLY 60 H GLY 60 7.244 -8.505 6.981 512 HA2 GLY 60 2HA GLY 60 9.316 -8.108 9.098 513 HA3 GLY 60 1HA GLY 60 9.732 -8.718 7.495 514 H TYR 61 H TYR 61 8.065 -7.052 5.937 515 HA TYR 61 HA TYR 61 9.646 -4.723 5.589 516 HB2 TYR 61 2HB TYR 61 6.809 -5.479 4.855 517 HB3 TYR 61 1HB TYR 61 7.569 -3.999 4.275 518 HD1 TYR 61 1HD TYR 61 10.017 -6.521 4.780 519 HD2 TYR 61 2HD TYR 61 6.999 -5.225 2.008 520 HE1 TYR 61 1HE TYR 61 11.130 -7.798 2.969 521 HE2 TYR 61 2HE TYR 61 8.114 -6.502 0.199 522 HH TYR 61 HH TYR 61 11.253 -7.971 0.653 523 H THR 62 H THR 62 6.522 -3.531 5.765 524 HA THR 62 HA THR 62 7.224 -1.927 8.137 525 HB THR 62 HB THR 62 6.219 -1.168 5.865 526 HG1 THR 62 1HG THR 62 4.770 0.305 7.165 527 HG21 THR 62 3HG2 THR 62 3.986 -1.513 5.440 528 HG22 THR 62 1HG2 THR 62 3.576 -1.628 7.151 529 HG23 THR 62 2HG2 THR 62 4.333 -2.993 6.334 530 H ALA 63 H ALA 63 6.467 -4.841 8.288 531 HA ALA 63 HA ALA 63 3.961 -5.510 9.148 532 HB1 ALA 63 1HB ALA 63 5.045 -7.188 10.362 533 HB2 ALA 63 2HB ALA 63 6.280 -6.087 10.970 534 HB3 ALA 63 3HB ALA 63 6.350 -6.657 9.302 535 H LEU 64 H LEU 64 6.188 -3.293 10.730 536 HA LEU 64 HA LEU 64 5.071 -3.029 13.293 537 HB2 LEU 64 2HB LEU 64 6.019 -0.716 13.119 538 HB3 LEU 64 1HB LEU 64 7.130 -1.945 12.520 539 HG LEU 64 HG LEU 64 5.820 -1.415 10.227 540 HD11 LEU 64 1HD1 LEU 64 5.163 0.855 10.038 541 HD12 LEU 64 2HD1 LEU 64 5.941 1.293 11.559 542 HD13 LEU 64 3HD1 LEU 64 4.465 0.328 11.569 543 HD21 LEU 64 3HD2 LEU 64 7.959 -0.925 9.731 544 HD22 LEU 64 1HD2 LEU 64 8.320 -0.690 11.442 545 HD23 LEU 64 2HD2 LEU 64 7.749 0.664 10.466 546 H LEU 65 H LEU 65 3.994 -1.728 10.222 547 HA LEU 65 HA LEU 65 2.014 0.075 11.242 548 HB2 LEU 65 2HB LEU 65 1.619 0.436 8.986 549 HB3 LEU 65 1HB LEU 65 3.179 -0.372 8.860 550 HG LEU 65 HG LEU 65 1.761 -1.453 7.274 551 HD11 LEU 65 1HD1 LEU 65 2.599 -2.867 9.653 552 HD12 LEU 65 2HD1 LEU 65 2.624 -3.403 7.978 553 HD13 LEU 65 3HD1 LEU 65 1.173 -3.626 8.957 554 HD21 LEU 65 3HD2 LEU 65 -0.306 -0.642 8.965 555 HD22 LEU 65 1HD2 LEU 65 -0.361 -2.403 9.029 556 HD23 LEU 65 2HD2 LEU 65 -0.480 -1.572 7.478 557 H ASN 66 H ASN 66 2.120 -3.284 11.368 558 HA ASN 66 HA ASN 66 -0.823 -3.646 11.169 559 HB2 ASN 66 2HB ASN 66 0.473 -5.335 10.097 560 HB3 ASN 66 1HB ASN 66 1.593 -5.441 11.454 561 HD21 ASN 66 1HD2 ASN 66 1.245 -7.593 12.154 562 HD22 ASN 66 2HD2 ASN 66 -0.267 -8.192 12.639 Start of MODEL 15 1 H1 MET 1 1HT MET 1 19.442 -9.995 -9.748 2 H2 MET 1 2HT MET 1 19.143 -8.925 -11.034 3 H3 MET 1 3HT MET 1 20.529 -9.907 -11.047 4 HA MET 1 HA MET 1 18.428 -10.569 -12.447 5 HB2 MET 1 2HB MET 1 20.741 -11.744 -11.346 6 HB3 MET 1 1HB MET 1 19.449 -12.915 -11.079 7 HG2 MET 1 2HG MET 1 18.876 -12.219 -13.617 8 HG3 MET 1 1HG MET 1 20.615 -11.931 -13.632 9 HE1 MET 1 2HE MET 1 22.040 -15.231 -12.259 10 HE2 MET 1 3HE MET 1 21.873 -13.532 -11.821 11 HE3 MET 1 1HE MET 1 22.487 -13.979 -13.417 12 H VAL 2 H VAL 2 18.739 -11.831 -9.095 13 HA VAL 2 HA VAL 2 16.220 -13.135 -8.986 14 HB VAL 2 HB VAL 2 17.890 -11.769 -6.850 15 HG11 VAL 2 1HG1 VAL 2 15.294 -12.736 -6.606 16 HG12 VAL 2 2HG1 VAL 2 16.440 -12.518 -5.283 17 HG13 VAL 2 3HG1 VAL 2 16.289 -14.091 -6.069 18 HG21 VAL 2 3HG2 VAL 2 17.896 -14.481 -8.151 19 HG22 VAL 2 1HG2 VAL 2 18.455 -14.307 -6.487 20 HG23 VAL 2 2HG2 VAL 2 19.259 -13.424 -7.785 21 H ASP 3 H ASP 3 14.153 -12.412 -8.377 22 HA ASP 3 HA ASP 3 13.801 -9.550 -7.642 23 HB2 ASP 3 2HB ASP 3 13.702 -10.304 -10.240 24 HB3 ASP 3 1HB ASP 3 12.031 -10.629 -9.780 25 H SER 4 H SER 4 12.734 -9.911 -5.700 26 HA SER 4 HA SER 4 10.274 -11.627 -5.807 27 HB2 SER 4 2HB SER 4 11.053 -11.916 -3.258 28 HB3 SER 4 1HB SER 4 11.691 -12.949 -4.535 29 HG SER 4 HG SER 4 13.546 -12.187 -3.920 30 H LYS 5 H LYS 5 8.732 -9.967 -5.835 31 HA LYS 5 HA LYS 5 8.264 -8.494 -3.380 32 HB2 LYS 5 2HB LYS 5 10.229 -7.381 -4.748 33 HB3 LYS 5 1HB LYS 5 8.917 -6.752 -5.745 34 HG2 LYS 5 2HG LYS 5 8.773 -5.086 -4.216 35 HG3 LYS 5 1HG LYS 5 8.009 -6.284 -3.172 36 HD2 LYS 5 2HD LYS 5 11.004 -6.168 -3.278 37 HD3 LYS 5 1HD LYS 5 10.140 -4.951 -2.336 38 HE2 LYS 5 2HE LYS 5 9.768 -7.956 -2.024 39 HE3 LYS 5 1HE LYS 5 10.726 -6.929 -0.939 40 HZ1 LYS 5 3HZ LYS 5 8.700 -6.779 0.078 41 HZ2 LYS 5 1HZ LYS 5 7.826 -6.988 -1.363 42 HZ3 LYS 5 2HZ LYS 5 8.547 -5.489 -1.017 43 H LYS 6 H LYS 6 6.475 -10.105 -4.547 44 HA LYS 6 HA LYS 6 4.246 -8.403 -5.217 45 HB2 LYS 6 2HB LYS 6 5.932 -8.505 -7.265 46 HB3 LYS 6 1HB LYS 6 5.143 -10.056 -7.557 47 HG2 LYS 6 2HG LYS 6 2.938 -8.615 -7.194 48 HG3 LYS 6 1HG LYS 6 3.998 -7.292 -7.680 49 HD2 LYS 6 2HD LYS 6 3.889 -9.842 -9.283 50 HD3 LYS 6 1HD LYS 6 2.700 -8.563 -9.539 51 HE2 LYS 6 2HE LYS 6 4.999 -7.093 -9.551 52 HE3 LYS 6 1HE LYS 6 5.576 -8.620 -10.250 53 HZ1 LYS 6 3HZ LYS 6 3.033 -7.361 -11.097 54 HZ2 LYS 6 1HZ LYS 6 3.918 -8.572 -11.889 55 HZ3 LYS 6 2HZ LYS 6 4.510 -6.979 -11.846 56 H ARG 7 H ARG 7 4.225 -10.323 -3.347 57 HA ARG 7 HA ARG 7 3.722 -13.005 -4.042 58 HB2 ARG 7 2HB ARG 7 3.291 -11.173 -1.828 59 HB3 ARG 7 1HB ARG 7 1.969 -12.336 -1.951 60 HG2 ARG 7 2HG ARG 7 4.928 -12.966 -1.762 61 HG3 ARG 7 1HG ARG 7 3.696 -13.296 -0.543 62 HD2 ARG 7 2HD ARG 7 2.664 -14.510 -2.828 63 HD3 ARG 7 1HD ARG 7 4.402 -14.857 -2.917 64 HE ARG 7 HE ARG 7 3.707 -15.261 -0.236 65 HH11 ARG 7 1HH2 ARG 7 3.521 -16.736 -3.303 66 HH12 ARG 7 2HH2 ARG 7 2.767 -18.185 -2.728 67 HH21 ARG 7 1HH1 ARG 7 2.405 -17.023 0.518 68 HH22 ARG 7 2HH1 ARG 7 2.135 -18.348 -0.564 69 HA PRO 8 HA PRO 8 -0.885 -11.995 -4.648 70 HB2 PRO 8 2HB PRO 8 -1.705 -9.398 -4.375 71 HB3 PRO 8 1HB PRO 8 -1.629 -10.532 -3.012 72 HG2 PRO 8 2HG PRO 8 0.268 -8.373 -3.788 73 HG3 PRO 8 1HG PRO 8 -0.239 -8.906 -2.177 74 HD2 PRO 8 2HD PRO 8 2.152 -9.596 -3.339 75 HD3 PRO 8 1HD PRO 8 1.333 -10.561 -2.094 76 H GLY 9 H GLY 9 1.035 -11.964 -6.603 77 HA2 GLY 9 2HA GLY 9 1.236 -9.751 -8.316 78 HA3 GLY 9 1HA GLY 9 1.300 -11.425 -8.872 79 H LYS 10 H LYS 10 0.156 -10.324 -10.778 80 HA LYS 10 HA LYS 10 -1.847 -10.193 -12.034 81 HB2 LYS 10 2HB LYS 10 -2.179 -12.269 -10.463 82 HB3 LYS 10 1HB LYS 10 -3.273 -11.207 -9.578 83 HG2 LYS 10 2HG LYS 10 -4.830 -11.180 -11.262 84 HG3 LYS 10 1HG LYS 10 -3.606 -11.265 -12.530 85 HD2 LYS 10 2HD LYS 10 -3.440 -13.585 -12.404 86 HD3 LYS 10 1HD LYS 10 -4.019 -13.636 -10.739 87 HE2 LYS 10 2HE LYS 10 -5.992 -12.515 -12.618 88 HE3 LYS 10 1HE LYS 10 -5.576 -14.210 -12.941 89 HZ1 LYS 10 3HZ LYS 10 -6.300 -13.092 -10.283 90 HZ2 LYS 10 1HZ LYS 10 -5.914 -14.712 -10.606 91 HZ3 LYS 10 2HZ LYS 10 -7.326 -14.029 -11.260 92 H ASP 11 H ASP 11 -4.376 -9.801 -10.117 93 HA ASP 11 HA ASP 11 -4.543 -6.946 -10.437 94 HB2 ASP 11 2HB ASP 11 -6.096 -9.191 -9.269 95 HB3 ASP 11 1HB ASP 11 -6.464 -7.593 -8.619 96 H LEU 12 H LEU 12 -2.659 -6.089 -9.327 97 HA LEU 12 HA LEU 12 -2.788 -6.307 -6.335 98 HB2 LEU 12 2HB LEU 12 -0.748 -6.889 -8.145 99 HB3 LEU 12 1HB LEU 12 -0.312 -5.297 -7.525 100 HG LEU 12 HG LEU 12 -1.125 -7.560 -5.693 101 HD11 LEU 12 1HD1 LEU 12 0.889 -8.121 -7.156 102 HD12 LEU 12 2HD1 LEU 12 1.179 -8.148 -5.417 103 HD13 LEU 12 3HD1 LEU 12 1.716 -6.771 -6.379 104 HD21 LEU 12 3HD2 LEU 12 0.017 -4.808 -5.434 105 HD22 LEU 12 1HD2 LEU 12 0.551 -6.028 -4.276 106 HD23 LEU 12 2HD2 LEU 12 -1.163 -5.633 -4.415 107 H ASP 13 H ASP 13 -3.128 -4.401 -5.239 108 HA ASP 13 HA ASP 13 -3.889 -1.994 -6.548 109 HB2 ASP 13 2HB ASP 13 -3.244 -2.958 -3.819 110 HB3 ASP 13 1HB ASP 13 -3.133 -1.213 -4.046 111 H ARG 14 H ARG 14 -2.661 -0.420 -7.468 112 HA ARG 14 HA ARG 14 0.063 -0.533 -7.955 113 HB2 ARG 14 2HB ARG 14 -2.097 1.411 -8.021 114 HB3 ARG 14 1HB ARG 14 -0.558 2.190 -7.652 115 HG2 ARG 14 2HG ARG 14 -0.658 2.174 -10.017 116 HG3 ARG 14 1HG ARG 14 0.398 0.823 -9.611 117 HD2 ARG 14 2HD ARG 14 -1.039 -0.672 -10.534 118 HD3 ARG 14 1HD ARG 14 -2.414 0.023 -9.651 119 HE ARG 14 HE ARG 14 -1.682 1.891 -11.651 120 HH11 ARG 14 1HH2 ARG 14 -2.590 -1.427 -11.531 121 HH12 ARG 14 2HH2 ARG 14 -3.592 -1.344 -12.942 122 HH21 ARG 14 1HH1 ARG 14 -3.103 2.056 -13.416 123 HH22 ARG 14 2HH1 ARG 14 -3.882 0.627 -14.008 124 H ILE 15 H ILE 15 -1.520 1.122 -5.225 125 HA ILE 15 HA ILE 15 0.882 2.099 -4.005 126 HB ILE 15 HB ILE 15 -1.750 1.347 -2.714 127 HG12 ILE 15 2HG1 ILE 15 -2.294 2.662 -4.650 128 HG13 ILE 15 1HG1 ILE 15 -2.339 3.761 -3.273 129 HG21 ILE 15 1HG2 ILE 15 -0.682 3.799 -1.772 130 HG22 ILE 15 2HG2 ILE 15 0.653 2.647 -1.801 131 HG23 ILE 15 3HG2 ILE 15 -0.813 2.276 -0.891 132 HD11 ILE 15 3HD1 ILE 15 -0.182 3.483 -5.367 133 HD12 ILE 15 1HD1 ILE 15 0.123 4.276 -3.822 134 HD13 ILE 15 2HD1 ILE 15 -1.092 4.926 -4.923 135 H ASP 16 H ASP 16 -0.494 -1.070 -4.128 136 HA ASP 16 HA ASP 16 0.774 -1.997 -1.643 137 HB2 ASP 16 2HB ASP 16 -0.710 -3.289 -3.949 138 HB3 ASP 16 1HB ASP 16 -0.090 -4.214 -2.580 139 H ARG 17 H ARG 17 1.127 -3.040 -5.063 140 HA ARG 17 HA ARG 17 3.511 -4.486 -4.763 141 HB2 ARG 17 2HB ARG 17 3.774 -4.003 -7.205 142 HB3 ARG 17 1HB ARG 17 2.129 -4.477 -6.781 143 HG2 ARG 17 2HG ARG 17 1.589 -2.004 -6.569 144 HG3 ARG 17 1HG ARG 17 3.167 -1.680 -7.288 145 HD2 ARG 17 2HD ARG 17 1.603 -3.680 -8.778 146 HD3 ARG 17 1HD ARG 17 0.854 -2.072 -8.736 147 HE ARG 17 HE ARG 17 2.600 -1.364 -10.153 148 HH11 ARG 17 1HH2 ARG 17 3.306 -4.485 -10.031 149 HH12 ARG 17 2HH2 ARG 17 5.025 -4.350 -9.866 150 HH21 ARG 17 1HH1 ARG 17 4.956 -0.959 -9.143 151 HH22 ARG 17 2HH1 ARG 17 5.959 -2.353 -9.363 152 H ASN 18 H ASN 18 3.121 -1.044 -5.487 153 HA ASN 18 HA ASN 18 5.919 -0.433 -5.635 154 HB2 ASN 18 2HB ASN 18 3.646 0.853 -6.228 155 HB3 ASN 18 1HB ASN 18 3.893 1.526 -4.616 156 HD21 ASN 18 1HD2 ASN 18 6.917 1.225 -4.973 157 HD22 ASN 18 2HD2 ASN 18 7.355 2.522 -5.977 158 H ILE 19 H ILE 19 3.545 -0.347 -2.973 159 HA ILE 19 HA ILE 19 5.253 0.702 -0.959 160 HB ILE 19 HB ILE 19 2.759 -0.916 -1.158 161 HG12 ILE 19 2HG1 ILE 19 3.622 1.546 0.392 162 HG13 ILE 19 1HG1 ILE 19 2.660 1.521 -1.085 163 HG21 ILE 19 1HG2 ILE 19 2.694 -1.277 1.295 164 HG22 ILE 19 2HG2 ILE 19 4.351 -0.684 1.417 165 HG23 ILE 19 3HG2 ILE 19 4.010 -2.180 0.546 166 HD11 ILE 19 3HD1 ILE 19 1.230 -0.169 0.544 167 HD12 ILE 19 1HD1 ILE 19 0.874 1.544 0.319 168 HD13 ILE 19 2HD1 ILE 19 1.839 1.018 1.699 169 H LEU 20 H LEU 20 4.857 -2.587 -2.245 170 HA LEU 20 HA LEU 20 6.464 -3.918 -0.251 171 HB2 LEU 20 2HB LEU 20 5.738 -4.502 -3.141 172 HB3 LEU 20 1HB LEU 20 6.571 -5.659 -2.101 173 HG LEU 20 HG LEU 20 3.860 -4.420 -1.551 174 HD11 LEU 20 1HD1 LEU 20 4.773 -7.094 -2.595 175 HD12 LEU 20 2HD1 LEU 20 3.501 -6.043 -3.216 176 HD13 LEU 20 3HD1 LEU 20 3.248 -6.946 -1.723 177 HD21 LEU 20 3HD2 LEU 20 3.881 -6.202 0.286 178 HD22 LEU 20 1HD2 LEU 20 4.936 -4.813 0.548 179 HD23 LEU 20 2HD2 LEU 20 5.614 -6.343 -0.008 180 H ASN 21 H ASN 21 7.214 -2.576 -3.481 181 HA ASN 21 HA ASN 21 10.007 -3.250 -3.452 182 HB2 ASN 21 2HB ASN 21 8.072 -1.784 -5.030 183 HB3 ASN 21 1HB ASN 21 9.569 -0.859 -4.910 184 HD21 ASN 21 1HD2 ASN 21 9.397 -1.592 -7.396 185 HD22 ASN 21 2HD2 ASN 21 10.223 -3.026 -7.772 186 H GLU 22 H GLU 22 8.118 -0.671 -2.020 187 HA GLU 22 HA GLU 22 10.467 0.972 -1.360 188 HB2 GLU 22 2HB GLU 22 7.505 1.069 -0.700 189 HB3 GLU 22 1HB GLU 22 8.654 2.303 -0.181 190 HG2 GLU 22 2HG GLU 22 7.846 1.577 -3.002 191 HG3 GLU 22 1HG GLU 22 7.728 3.144 -2.204 192 H LEU 23 H LEU 23 8.115 -1.092 0.392 193 HA LEU 23 HA LEU 23 9.266 -0.686 3.000 194 HB2 LEU 23 2HB LEU 23 7.104 -2.030 1.807 195 HB3 LEU 23 1HB LEU 23 8.062 -3.303 2.565 196 HG LEU 23 HG LEU 23 6.885 -0.842 3.875 197 HD11 LEU 23 1HD1 LEU 23 6.659 -3.805 4.493 198 HD12 LEU 23 2HD1 LEU 23 5.442 -2.856 3.643 199 HD13 LEU 23 3HD1 LEU 23 5.814 -2.502 5.330 200 HD21 LEU 23 3HD2 LEU 23 8.972 -0.892 4.916 201 HD22 LEU 23 1HD2 LEU 23 9.141 -2.637 4.717 202 HD23 LEU 23 2HD2 LEU 23 8.053 -1.990 5.946 203 H GLN 24 H GLN 24 10.219 -2.570 0.256 204 HA GLN 24 HA GLN 24 11.938 -4.406 1.789 205 HB2 GLN 24 2HB GLN 24 10.907 -5.266 -0.186 206 HB3 GLN 24 1HB GLN 24 11.350 -3.842 -1.126 207 HG2 GLN 24 2HG GLN 24 12.892 -5.531 -1.791 208 HG3 GLN 24 1HG GLN 24 13.790 -4.497 -0.680 209 HE21 GLN 24 1HE2 GLN 24 13.376 -7.684 -1.367 210 HE22 GLN 24 2HE2 GLN 24 13.580 -8.355 0.179 211 H LYS 25 H LYS 25 12.299 -1.586 -0.366 212 HA LYS 25 HA LYS 25 15.148 -1.506 -0.427 213 HB2 LYS 25 2HB LYS 25 14.701 0.371 -1.658 214 HB3 LYS 25 1HB LYS 25 13.015 -0.105 -1.480 215 HG2 LYS 25 2HG LYS 25 13.027 1.216 0.718 216 HG3 LYS 25 1HG LYS 25 14.566 1.891 0.180 217 HD2 LYS 25 2HD LYS 25 11.852 2.167 -1.119 218 HD3 LYS 25 1HD LYS 25 12.930 3.446 -0.564 219 HE2 LYS 25 2HE LYS 25 14.603 2.634 -2.317 220 HE3 LYS 25 1HE LYS 25 13.285 1.643 -2.974 221 HZ1 LYS 25 3HZ LYS 25 12.790 3.544 -4.066 222 HZ2 LYS 25 1HZ LYS 25 13.590 4.537 -2.947 223 HZ3 LYS 25 2HZ LYS 25 12.030 3.956 -2.604 224 H ASP 26 H ASP 26 12.822 -0.427 1.965 225 HA ASP 26 HA ASP 26 15.050 -0.013 3.859 226 HB2 ASP 26 2HB ASP 26 14.095 2.259 4.416 227 HB3 ASP 26 1HB ASP 26 14.773 2.152 2.790 228 H GLY 27 H GLY 27 13.734 -2.074 4.500 229 HA2 GLY 27 2HA GLY 27 11.106 -2.103 5.420 230 HA3 GLY 27 1HA GLY 27 12.398 -3.022 6.197 231 H ARG 28 H ARG 28 13.815 -0.388 6.758 232 HA ARG 28 HA ARG 28 12.627 0.065 9.389 233 HB2 ARG 28 2HB ARG 28 14.583 1.531 9.642 234 HB3 ARG 28 1HB ARG 28 15.074 0.024 8.868 235 HG2 ARG 28 2HG ARG 28 14.194 2.171 7.022 236 HG3 ARG 28 1HG ARG 28 15.698 2.485 7.887 237 HD2 ARG 28 2HD ARG 28 15.870 -0.209 7.051 238 HD3 ARG 28 1HD ARG 28 15.248 0.696 5.657 239 HE ARG 28 HE ARG 28 17.310 2.257 6.820 240 HH11 ARG 28 1HH1 ARG 28 17.170 -1.016 5.855 241 HH12 ARG 28 2HH1 ARG 28 18.614 -0.952 4.901 242 HH21 ARG 28 1HH2 ARG 28 19.056 2.462 5.318 243 HH22 ARG 28 2HH2 ARG 28 19.683 1.017 4.598 244 H ILE 29 H ILE 29 11.527 1.052 6.512 245 HA ILE 29 HA ILE 29 11.268 3.927 6.886 246 HB ILE 29 HB ILE 29 11.281 2.647 4.711 247 HG12 ILE 29 2HG1 ILE 29 8.852 4.356 5.327 248 HG13 ILE 29 1HG1 ILE 29 10.419 4.925 4.752 249 HG21 ILE 29 1HG2 ILE 29 9.462 1.299 4.074 250 HG22 ILE 29 2HG2 ILE 29 8.405 1.979 5.312 251 HG23 ILE 29 3HG2 ILE 29 9.696 0.867 5.769 252 HD11 ILE 29 3HD1 ILE 29 10.121 3.975 2.619 253 HD12 ILE 29 1HD1 ILE 29 8.522 4.610 3.006 254 HD13 ILE 29 2HD1 ILE 29 8.851 2.887 3.182 255 H SER 30 H SER 30 9.303 5.050 7.414 256 HA SER 30 HA SER 30 7.486 3.466 9.166 257 HB2 SER 30 2HB SER 30 7.720 6.467 8.972 258 HB3 SER 30 1HB SER 30 7.182 5.505 10.346 259 HG SER 30 HG SER 30 9.366 6.312 10.508 260 H ASN 31 H ASN 31 5.166 3.864 8.997 261 HA ASN 31 HA ASN 31 4.009 3.784 6.465 262 HB2 ASN 31 2HB ASN 31 1.945 4.462 7.662 263 HB3 ASN 31 1HB ASN 31 2.893 3.343 8.644 264 HD21 ASN 31 1HD2 ASN 31 1.713 6.647 8.424 265 HD22 ASN 31 2HD2 ASN 31 2.302 7.159 9.932 266 H VAL 32 H VAL 32 4.534 6.741 8.447 267 HA VAL 32 HA VAL 32 3.439 8.656 6.709 268 HB VAL 32 HB VAL 32 5.799 8.567 8.591 269 HG11 VAL 32 1HG1 VAL 32 5.320 10.538 6.484 270 HG12 VAL 32 2HG1 VAL 32 6.727 10.332 7.527 271 HG13 VAL 32 3HG1 VAL 32 5.340 11.264 8.090 272 HG21 VAL 32 3HG2 VAL 32 2.984 9.557 8.579 273 HG22 VAL 32 1HG2 VAL 32 4.157 10.487 9.513 274 HG23 VAL 32 2HG2 VAL 32 3.895 8.780 9.873 275 H GLU 33 H GLU 33 6.835 7.502 6.742 276 HA GLU 33 HA GLU 33 7.517 8.722 4.213 277 HB2 GLU 33 2HB GLU 33 8.816 7.506 6.315 278 HB3 GLU 33 1HB GLU 33 8.928 6.267 5.066 279 HG2 GLU 33 2HG GLU 33 10.195 7.603 3.655 280 HG3 GLU 33 1HG GLU 33 9.548 9.101 4.326 281 H LEU 34 H LEU 34 6.155 5.629 5.220 282 HA LEU 34 HA LEU 34 6.385 4.264 2.688 283 HB2 LEU 34 2HB LEU 34 5.724 3.626 5.252 284 HB3 LEU 34 1HB LEU 34 4.122 3.682 4.516 285 HG LEU 34 HG LEU 34 6.478 1.981 3.671 286 HD11 LEU 34 1HD1 LEU 34 3.928 1.568 5.103 287 HD12 LEU 34 2HD1 LEU 34 5.410 0.613 5.146 288 HD13 LEU 34 3HD1 LEU 34 4.255 0.390 3.832 289 HD21 LEU 34 3HD2 LEU 34 5.514 2.792 1.629 290 HD22 LEU 34 1HD2 LEU 34 3.876 2.598 2.251 291 HD23 LEU 34 2HD2 LEU 34 4.853 1.177 1.879 292 H SER 35 H SER 35 4.297 6.722 3.926 293 HA SER 35 HA SER 35 2.098 6.235 2.052 294 HB2 SER 35 2HB SER 35 1.099 8.038 3.204 295 HB3 SER 35 1HB SER 35 2.074 7.227 4.429 296 HG SER 35 HG SER 35 2.683 9.289 4.622 297 H LYS 36 H LYS 36 4.667 8.689 2.459 298 HA LYS 36 HA LYS 36 3.984 10.020 -0.063 299 HB2 LYS 36 2HB LYS 36 6.257 10.266 1.936 300 HB3 LYS 36 1HB LYS 36 6.010 11.369 0.581 301 HG2 LYS 36 2HG LYS 36 3.760 11.926 1.456 302 HG3 LYS 36 1HG LYS 36 4.037 10.850 2.827 303 HD2 LYS 36 2HD LYS 36 6.301 12.466 2.801 304 HD3 LYS 36 1HD LYS 36 4.995 13.578 2.390 305 HE2 LYS 36 2HE LYS 36 3.962 13.338 4.447 306 HE3 LYS 36 1HE LYS 36 4.512 11.662 4.638 307 HZ1 LYS 36 3HZ LYS 36 6.719 12.392 5.049 308 HZ2 LYS 36 1HZ LYS 36 5.716 13.319 6.055 309 HZ3 LYS 36 2HZ LYS 36 6.348 13.996 4.632 310 H ARG 37 H ARG 37 6.251 7.569 1.038 311 HA ARG 37 HA ARG 37 8.179 7.687 -1.035 312 HB2 ARG 37 2HB ARG 37 7.061 5.627 0.828 313 HB3 ARG 37 1HB ARG 37 8.144 5.088 -0.455 314 HG2 ARG 37 2HG ARG 37 9.158 7.473 0.864 315 HG3 ARG 37 1HG ARG 37 8.908 6.157 2.010 316 HD2 ARG 37 2HD ARG 37 11.011 5.549 1.268 317 HD3 ARG 37 1HD ARG 37 10.066 4.778 -0.020 318 HE ARG 37 HE ARG 37 10.325 7.026 -1.250 319 HH11 ARG 37 1HH2 ARG 37 12.710 5.322 0.474 320 HH12 ARG 37 2HH2 ARG 37 13.974 6.464 0.161 321 HH21 ARG 37 1HH1 ARG 37 11.882 8.762 -1.379 322 HH22 ARG 37 2HH1 ARG 37 13.505 8.411 -0.888 323 H VAL 38 H VAL 38 4.919 6.578 -1.006 324 HA VAL 38 HA VAL 38 5.237 5.508 -3.774 325 HB VAL 38 HB VAL 38 2.697 4.866 -2.655 326 HG11 VAL 38 1HG1 VAL 38 3.287 2.741 -3.290 327 HG12 VAL 38 2HG1 VAL 38 4.922 2.887 -2.642 328 HG13 VAL 38 3HG1 VAL 38 4.513 3.638 -4.185 329 HG21 VAL 38 3HG2 VAL 38 3.637 5.370 -0.435 330 HG22 VAL 38 1HG2 VAL 38 5.024 4.336 -0.775 331 HG23 VAL 38 2HG2 VAL 38 3.417 3.629 -0.613 332 H GLY 39 H GLY 39 4.246 8.180 -2.071 333 HA2 GLY 39 2HA GLY 39 3.286 10.149 -2.958 334 HA3 GLY 39 1HA GLY 39 2.841 9.246 -4.405 335 H LEU 40 H LEU 40 2.029 8.664 -0.961 336 HA LEU 40 HA LEU 40 -0.814 9.292 -1.551 337 HB2 LEU 40 2HB LEU 40 -1.548 7.074 -0.874 338 HB3 LEU 40 1HB LEU 40 -0.365 6.898 -2.166 339 HG LEU 40 HG LEU 40 0.830 6.975 0.508 340 HD11 LEU 40 1HD1 LEU 40 0.002 4.375 0.527 341 HD12 LEU 40 2HD1 LEU 40 -1.443 5.181 -0.083 342 HD13 LEU 40 3HD1 LEU 40 -0.759 5.655 1.471 343 HD21 LEU 40 3HD2 LEU 40 1.739 4.755 -0.516 344 HD22 LEU 40 1HD2 LEU 40 2.240 6.292 -1.222 345 HD23 LEU 40 2HD2 LEU 40 0.979 5.333 -1.999 346 H SER 41 H SER 41 -2.102 9.490 0.397 347 HA SER 41 HA SER 41 -0.725 10.528 2.695 348 HB2 SER 41 2HB SER 41 -3.462 9.865 1.808 349 HB3 SER 41 1HB SER 41 -3.224 9.762 3.551 350 HG SER 41 HG SER 41 -2.734 11.864 3.625 351 HA PRO 42 HA PRO 42 0.296 6.822 4.621 352 HB2 PRO 42 2HB PRO 42 0.265 7.565 7.255 353 HB3 PRO 42 1HB PRO 42 1.532 8.063 6.119 354 HG2 PRO 42 2HG PRO 42 -0.812 9.592 7.126 355 HG3 PRO 42 1HG PRO 42 0.829 10.148 6.764 356 HD2 PRO 42 2HD PRO 42 -1.330 10.514 5.101 357 HD3 PRO 42 1HD PRO 42 0.361 10.480 4.553 358 H THR 43 H THR 43 -2.489 8.506 6.091 359 HA THR 43 HA THR 43 -3.710 6.565 7.601 360 HB THR 43 HB THR 43 -4.637 8.643 5.667 361 HG1 THR 43 1HG THR 43 -4.702 8.081 8.391 362 HG21 THR 43 3HG2 THR 43 -6.250 6.296 6.516 363 HG22 THR 43 1HG2 THR 43 -6.421 7.322 5.091 364 HG23 THR 43 2HG2 THR 43 -7.031 7.872 6.652 365 HA PRO 44 HA PRO 44 -5.338 4.237 3.765 366 HB2 PRO 44 2HB PRO 44 -4.519 5.075 1.287 367 HB3 PRO 44 1HB PRO 44 -5.963 5.722 2.090 368 HG2 PRO 44 2HG PRO 44 -3.244 6.907 1.839 369 HG3 PRO 44 1HG PRO 44 -4.827 7.696 1.791 370 HD2 PRO 44 2HD PRO 44 -3.174 7.702 3.985 371 HD3 PRO 44 1HD PRO 44 -4.938 7.888 4.065 372 H CYS 45 H CYS 45 -2.058 5.601 3.305 373 HA CYS 45 HA CYS 45 -0.711 3.585 1.967 374 HB2 CYS 45 2HB CYS 45 0.238 5.680 2.997 375 HB3 CYS 45 1HB CYS 45 0.161 4.890 4.570 376 HG CYS 45 HG CYS 45 2.006 3.267 3.863 377 H LEU 46 H LEU 46 -1.612 3.609 5.402 378 HA LEU 46 HA LEU 46 -0.660 0.964 6.006 379 HB2 LEU 46 2HB LEU 46 -2.881 2.682 7.169 380 HB3 LEU 46 1HB LEU 46 -2.146 1.291 7.972 381 HG LEU 46 HG LEU 46 -0.021 2.947 7.104 382 HD11 LEU 46 1HD1 LEU 46 -1.418 4.708 8.946 383 HD12 LEU 46 2HD1 LEU 46 -2.309 4.521 7.436 384 HD13 LEU 46 3HD1 LEU 46 -0.639 5.089 7.409 385 HD21 LEU 46 3HD2 LEU 46 -0.758 3.166 9.931 386 HD22 LEU 46 1HD2 LEU 46 0.685 2.462 9.199 387 HD23 LEU 46 2HD2 LEU 46 -0.789 1.504 9.342 388 H GLU 47 H GLU 47 -3.792 2.298 4.978 389 HA GLU 47 HA GLU 47 -5.334 -0.077 4.974 390 HB2 GLU 47 2HB GLU 47 -5.307 2.311 3.100 391 HB3 GLU 47 1HB GLU 47 -6.633 1.156 3.226 392 HG2 GLU 47 2HG GLU 47 -6.691 1.717 5.724 393 HG3 GLU 47 1HG GLU 47 -5.636 3.077 5.337 394 H ARG 48 H ARG 48 -3.180 1.299 2.496 395 HA ARG 48 HA ARG 48 -3.545 -0.797 0.548 396 HB2 ARG 48 2HB ARG 48 -1.131 0.990 0.982 397 HB3 ARG 48 1HB ARG 48 -1.697 0.310 -0.546 398 HG2 ARG 48 2HG ARG 48 -3.718 1.919 0.881 399 HG3 ARG 48 1HG ARG 48 -2.307 2.833 0.354 400 HD2 ARG 48 2HD ARG 48 -2.948 2.722 -1.819 401 HD3 ARG 48 1HD ARG 48 -3.256 0.978 -1.705 402 HE ARG 48 HE ARG 48 -5.219 3.118 -1.132 403 HH11 ARG 48 1HH2 ARG 48 -5.716 0.718 -2.905 404 HH12 ARG 48 2HH2 ARG 48 -6.706 -0.270 -1.883 405 HH21 ARG 48 1HH1 ARG 48 -5.904 1.456 1.015 406 HH22 ARG 48 2HH1 ARG 48 -6.813 0.148 0.336 407 H VAL 49 H VAL 49 -1.104 -0.173 3.067 408 HA VAL 49 HA VAL 49 0.519 -2.480 2.583 409 HB VAL 49 HB VAL 49 0.086 -0.393 4.640 410 HG11 VAL 49 1HG1 VAL 49 0.896 -3.193 5.368 411 HG12 VAL 49 2HG1 VAL 49 -0.067 -2.034 6.287 412 HG13 VAL 49 3HG1 VAL 49 1.683 -1.839 6.181 413 HG21 VAL 49 3HG2 VAL 49 1.900 -0.539 2.841 414 HG22 VAL 49 1HG2 VAL 49 2.628 -1.817 3.815 415 HG23 VAL 49 2HG2 VAL 49 2.462 -0.188 4.476 416 H ARG 50 H ARG 50 -2.127 -1.931 4.954 417 HA ARG 50 HA ARG 50 -2.287 -4.359 6.247 418 HB2 ARG 50 2HB ARG 50 -4.537 -2.753 4.994 419 HB3 ARG 50 1HB ARG 50 -4.741 -3.924 6.296 420 HG2 ARG 50 2HG ARG 50 -2.645 -2.127 7.043 421 HG3 ARG 50 1HG ARG 50 -4.028 -1.169 6.509 422 HD2 ARG 50 2HD ARG 50 -4.035 -3.328 8.646 423 HD3 ARG 50 1HD ARG 50 -4.338 -1.595 8.872 424 HE ARG 50 HE ARG 50 -6.330 -3.441 8.089 425 HH11 ARG 50 1HH1 ARG 50 -6.424 -0.345 8.585 426 HH12 ARG 50 2HH1 ARG 50 -7.196 0.158 7.119 427 HH21 ARG 50 1HH2 ARG 50 -6.679 -2.866 5.498 428 HH22 ARG 50 2HH2 ARG 50 -7.340 -1.269 5.370 429 H ARG 51 H ARG 51 -3.748 -3.645 3.084 430 HA ARG 51 HA ARG 51 -4.758 -6.192 2.445 431 HB2 ARG 51 2HB ARG 51 -5.296 -4.594 0.868 432 HB3 ARG 51 1HB ARG 51 -3.733 -3.790 1.009 433 HG2 ARG 51 2HG ARG 51 -4.075 -4.928 -1.204 434 HG3 ARG 51 1HG ARG 51 -2.663 -5.511 -0.324 435 HD2 ARG 51 2HD ARG 51 -3.590 -7.568 -0.806 436 HD3 ARG 51 1HD ARG 51 -4.567 -7.212 0.633 437 HE ARG 51 HE ARG 51 -6.091 -5.992 -1.171 438 HH11 ARG 51 1HH2 ARG 51 -4.731 -7.136 -3.521 439 HH12 ARG 51 2HH2 ARG 51 -5.606 -8.603 -3.806 440 HH21 ARG 51 1HH1 ARG 51 -7.053 -8.661 -0.655 441 HH22 ARG 51 2HH1 ARG 51 -6.922 -9.466 -2.183 442 H LEU 52 H LEU 52 -1.470 -4.888 1.948 443 HA LEU 52 HA LEU 52 -0.401 -7.343 0.832 444 HB2 LEU 52 2HB LEU 52 0.632 -4.743 1.924 445 HB3 LEU 52 1HB LEU 52 1.769 -6.046 1.573 446 HG LEU 52 HG LEU 52 -0.226 -4.877 -0.387 447 HD11 LEU 52 1HD1 LEU 52 2.000 -4.235 -1.534 448 HD12 LEU 52 2HD1 LEU 52 2.739 -4.520 0.041 449 HD13 LEU 52 3HD1 LEU 52 1.501 -3.278 -0.140 450 HD21 LEU 52 3HD2 LEU 52 1.496 -6.292 -1.891 451 HD22 LEU 52 1HD2 LEU 52 0.039 -7.015 -1.209 452 HD23 LEU 52 2HD2 LEU 52 1.594 -7.242 -0.408 453 H GLU 53 H GLU 53 -0.948 -6.131 4.048 454 HA GLU 53 HA GLU 53 0.942 -7.611 5.557 455 HB2 GLU 53 2HB GLU 53 -0.816 -5.779 6.157 456 HB3 GLU 53 1HB GLU 53 -1.920 -7.134 6.385 457 HG2 GLU 53 2HG GLU 53 0.788 -7.147 7.698 458 HG3 GLU 53 1HG GLU 53 -0.556 -6.273 8.436 459 H ARG 54 H ARG 54 -2.397 -8.504 4.609 460 HA ARG 54 HA ARG 54 -2.341 -11.130 5.768 461 HB2 ARG 54 2HB ARG 54 -4.372 -11.421 4.474 462 HB3 ARG 54 1HB ARG 54 -4.326 -9.746 5.027 463 HG2 ARG 54 2HG ARG 54 -4.205 -8.950 2.915 464 HG3 ARG 54 1HG ARG 54 -2.956 -10.112 2.467 465 HD2 ARG 54 2HD ARG 54 -5.829 -10.996 2.790 466 HD3 ARG 54 1HD ARG 54 -5.247 -10.314 1.260 467 HE ARG 54 HE ARG 54 -3.314 -12.108 1.662 468 HH11 ARG 54 1HH2 ARG 54 -6.646 -12.348 1.200 469 HH12 ARG 54 2HH2 ARG 54 -6.727 -14.061 1.440 470 HH21 ARG 54 1HH1 ARG 54 -3.421 -14.343 2.447 471 HH22 ARG 54 2HH1 ARG 54 -4.901 -15.190 2.147 472 H GLN 55 H GLN 55 -0.879 -9.845 2.906 473 HA GLN 55 HA GLN 55 -0.744 -12.373 1.438 474 HB2 GLN 55 2HB GLN 55 0.819 -9.785 1.146 475 HB3 GLN 55 1HB GLN 55 0.626 -11.032 -0.087 476 HG2 GLN 55 2HG GLN 55 -1.667 -9.478 1.145 477 HG3 GLN 55 1HG GLN 55 -0.924 -9.094 -0.407 478 HE21 GLN 55 1HE2 GLN 55 -3.728 -10.059 0.150 479 HE22 GLN 55 2HE2 GLN 55 -3.902 -11.478 -0.764 480 H GLY 56 H GLY 56 0.620 -11.606 4.274 481 HA2 GLY 56 2HA GLY 56 2.517 -12.364 5.425 482 HA3 GLY 56 1HA GLY 56 2.652 -13.593 4.167 483 H PHE 57 H PHE 57 2.727 -10.144 3.481 484 HA PHE 57 HA PHE 57 5.584 -10.462 2.639 485 HB2 PHE 57 2HB PHE 57 3.209 -9.574 1.336 486 HB3 PHE 57 1HB PHE 57 4.256 -8.167 1.520 487 HD1 PHE 57 1HD PHE 57 5.416 -11.681 1.232 488 HD2 PHE 57 2HD PHE 57 4.951 -7.907 -0.766 489 HE1 PHE 57 1HE PHE 57 6.833 -12.494 -0.635 490 HE2 PHE 57 2HE PHE 57 6.368 -8.720 -2.631 491 HZ PHE 57 HZ PHE 57 7.308 -11.014 -2.565 492 H ILE 58 H ILE 58 3.826 -9.255 5.121 493 HA ILE 58 HA ILE 58 5.885 -7.211 5.755 494 HB ILE 58 HB ILE 58 3.023 -6.430 6.137 495 HG12 ILE 58 2HG1 ILE 58 4.439 -6.456 3.451 496 HG13 ILE 58 1HG1 ILE 58 2.937 -7.282 3.862 497 HG21 ILE 58 1HG2 ILE 58 5.654 -5.101 5.516 498 HG22 ILE 58 2HG2 ILE 58 4.582 -4.837 6.892 499 HG23 ILE 58 3HG2 ILE 58 4.132 -4.238 5.297 500 HD11 ILE 58 3HD1 ILE 58 2.884 -4.936 2.632 501 HD12 ILE 58 1HD1 ILE 58 3.097 -4.319 4.269 502 HD13 ILE 58 2HD1 ILE 58 1.698 -5.319 3.880 503 H GLN 59 H GLN 59 6.472 -7.585 7.842 504 HA GLN 59 HA GLN 59 4.766 -9.236 9.592 505 HB2 GLN 59 2HB GLN 59 6.791 -9.132 11.036 506 HB3 GLN 59 1HB GLN 59 7.200 -9.594 9.383 507 HG2 GLN 59 2HG GLN 59 7.288 -6.805 9.347 508 HG3 GLN 59 1HG GLN 59 8.016 -7.238 10.893 509 HE21 GLN 59 1HE2 GLN 59 8.203 -8.066 7.392 510 HE22 GLN 59 2HE2 GLN 59 9.853 -8.462 7.421 511 H GLY 60 H GLY 60 3.022 -7.635 9.888 512 HA2 GLY 60 2HA GLY 60 2.233 -6.333 11.850 513 HA3 GLY 60 1HA GLY 60 3.791 -5.505 11.839 514 H TYR 61 H TYR 61 1.378 -6.231 9.301 515 HA TYR 61 HA TYR 61 0.382 -4.794 7.721 516 HB2 TYR 61 2HB TYR 61 0.925 -2.859 9.985 517 HB3 TYR 61 1HB TYR 61 -0.184 -2.559 8.649 518 HD1 TYR 61 2HD TYR 61 -2.238 -3.951 8.388 519 HD2 TYR 61 1HD TYR 61 0.333 -4.309 11.809 520 HE1 TYR 61 2HE TYR 61 -4.034 -5.145 9.611 521 HE2 TYR 61 1HE TYR 61 -1.464 -5.501 13.035 522 HH TYR 61 HH TYR 61 -3.544 -6.260 12.967 523 H THR 62 H THR 62 2.424 -2.300 9.126 524 HA THR 62 HA THR 62 3.632 -1.897 6.472 525 HB THR 62 HB THR 62 4.095 0.241 7.261 526 HG1 THR 62 1HG THR 62 4.419 0.643 9.487 527 HG21 THR 62 3HG2 THR 62 2.173 1.011 8.476 528 HG22 THR 62 1HG2 THR 62 1.914 -0.583 9.181 529 HG23 THR 62 2HG2 THR 62 1.641 -0.327 7.459 530 H ALA 63 H ALA 63 4.229 -3.814 9.040 531 HA ALA 63 HA ALA 63 6.121 -5.100 9.592 532 HB1 ALA 63 1HB ALA 63 6.435 -4.289 6.991 533 HB2 ALA 63 2HB ALA 63 7.543 -5.372 7.832 534 HB3 ALA 63 3HB ALA 63 7.895 -3.646 7.742 535 H LEU 64 H LEU 64 5.462 -2.410 10.739 536 HA LEU 64 HA LEU 64 7.669 -2.065 12.493 537 HB2 LEU 64 2HB LEU 64 8.448 0.143 11.447 538 HB3 LEU 64 1HB LEU 64 8.909 -1.324 10.591 539 HG LEU 64 HG LEU 64 6.435 -0.765 9.507 540 HD11 LEU 64 1HD1 LEU 64 7.845 1.785 10.268 541 HD12 LEU 64 2HD1 LEU 64 6.131 1.387 10.402 542 HD13 LEU 64 3HD1 LEU 64 6.840 1.713 8.821 543 HD21 LEU 64 3HD2 LEU 64 9.253 -0.094 8.651 544 HD22 LEU 64 1HD2 LEU 64 7.873 0.201 7.594 545 HD23 LEU 64 2HD2 LEU 64 8.242 -1.439 8.124 546 H LEU 65 H LEU 65 4.958 -0.633 10.823 547 HA LEU 65 HA LEU 65 4.375 1.619 12.364 548 HB2 LEU 65 2HB LEU 65 2.729 1.490 10.810 549 HB3 LEU 65 1HB LEU 65 3.061 -0.220 10.560 550 HG LEU 65 HG LEU 65 1.489 0.690 12.964 551 HD11 LEU 65 1HD1 LEU 65 -0.487 -0.067 11.352 552 HD12 LEU 65 2HD1 LEU 65 0.624 0.503 10.105 553 HD13 LEU 65 3HD1 LEU 65 0.078 1.604 11.372 554 HD21 LEU 65 3HD2 LEU 65 0.479 -1.690 12.143 555 HD22 LEU 65 1HD2 LEU 65 1.842 -1.558 13.253 556 HD23 LEU 65 2HD2 LEU 65 2.129 -1.836 11.534 557 H ASN 66 H ASN 66 4.317 -1.692 13.339 558 HA ASN 66 HA ASN 66 2.414 -1.542 15.487 559 HB2 ASN 66 2HB ASN 66 3.089 -3.672 14.653 560 HB3 ASN 66 1HB ASN 66 4.800 -3.278 14.820 561 HD21 ASN 66 1HD2 ASN 66 2.218 -2.714 17.248 562 HD22 ASN 66 2HD2 ASN 66 2.890 -3.733 18.428 Start of MODEL 16 1 H1 MET 1 1HT MET 1 22.282 -7.640 -4.566 2 H2 MET 1 2HT MET 1 20.712 -7.390 -5.162 3 H3 MET 1 3HT MET 1 21.924 -7.999 -6.185 4 HA MET 1 HA MET 1 22.020 -10.055 -4.961 5 HB2 MET 1 2HB MET 1 21.374 -8.495 -2.884 6 HB3 MET 1 1HB MET 1 19.761 -9.112 -3.242 7 HG2 MET 1 2HG MET 1 20.403 -11.352 -2.863 8 HG3 MET 1 1HG MET 1 22.121 -10.977 -3.012 9 HE1 MET 1 2HE MET 1 21.871 -12.110 0.649 10 HE2 MET 1 3HE MET 1 22.928 -12.076 -0.761 11 HE3 MET 1 1HE MET 1 21.298 -12.750 -0.890 12 H VAL 2 H VAL 2 20.456 -11.775 -5.360 13 HA VAL 2 HA VAL 2 18.869 -11.637 -7.613 14 HB VAL 2 HB VAL 2 18.293 -13.179 -5.060 15 HG11 VAL 2 1HG1 VAL 2 17.323 -13.345 -7.875 16 HG12 VAL 2 2HG1 VAL 2 16.482 -13.727 -6.373 17 HG13 VAL 2 3HG1 VAL 2 17.651 -14.866 -7.043 18 HG21 VAL 2 3HG2 VAL 2 20.571 -13.182 -6.777 19 HG22 VAL 2 1HG2 VAL 2 19.688 -14.682 -7.063 20 HG23 VAL 2 2HG2 VAL 2 20.226 -14.272 -5.434 21 H ASP 3 H ASP 3 17.796 -10.931 -4.276 22 HA ASP 3 HA ASP 3 15.951 -9.665 -3.513 23 HB2 ASP 3 2HB ASP 3 16.989 -8.491 -5.836 24 HB3 ASP 3 1HB ASP 3 15.249 -8.557 -6.118 25 H SER 4 H SER 4 14.334 -11.158 -3.065 26 HA SER 4 HA SER 4 12.875 -12.499 -5.254 27 HB2 SER 4 2HB SER 4 12.866 -12.583 -2.231 28 HB3 SER 4 1HB SER 4 11.702 -13.497 -3.188 29 HG SER 4 HG SER 4 14.513 -13.729 -3.083 30 H LYS 5 H LYS 5 12.627 -9.525 -4.863 31 HA LYS 5 HA LYS 5 10.149 -8.841 -3.617 32 HB2 LYS 5 2HB LYS 5 12.232 -7.651 -5.156 33 HB3 LYS 5 1HB LYS 5 10.705 -7.217 -5.925 34 HG2 LYS 5 2HG LYS 5 9.838 -6.487 -3.699 35 HG3 LYS 5 1HG LYS 5 11.426 -6.818 -3.006 36 HD2 LYS 5 2HD LYS 5 11.420 -4.482 -3.502 37 HD3 LYS 5 1HD LYS 5 12.371 -5.236 -4.782 38 HE2 LYS 5 2HE LYS 5 10.369 -5.249 -6.256 39 HE3 LYS 5 1HE LYS 5 9.444 -4.438 -4.976 40 HZ1 LYS 5 3HZ LYS 5 11.790 -3.434 -6.471 41 HZ2 LYS 5 1HZ LYS 5 11.380 -2.792 -4.955 42 HZ3 LYS 5 2HZ LYS 5 10.281 -2.687 -6.245 43 H LYS 6 H LYS 6 8.759 -10.676 -4.353 44 HA LYS 6 HA LYS 6 7.737 -10.274 -7.141 45 HB2 LYS 6 2HB LYS 6 8.902 -12.494 -6.024 46 HB3 LYS 6 1HB LYS 6 7.190 -12.816 -5.750 47 HG2 LYS 6 2HG LYS 6 7.192 -13.593 -7.883 48 HG3 LYS 6 1HG LYS 6 7.193 -11.891 -8.344 49 HD2 LYS 6 2HD LYS 6 9.764 -12.033 -8.134 50 HD3 LYS 6 1HD LYS 6 9.537 -13.781 -8.156 51 HE2 LYS 6 2HE LYS 6 7.980 -13.070 -10.278 52 HE3 LYS 6 1HE LYS 6 9.239 -11.823 -10.359 53 HZ1 LYS 6 3HZ LYS 6 10.863 -13.696 -9.970 54 HZ2 LYS 6 1HZ LYS 6 10.117 -13.677 -11.493 55 HZ3 LYS 6 2HZ LYS 6 9.587 -14.768 -10.303 56 H ARG 7 H ARG 7 6.849 -11.040 -3.798 57 HA ARG 7 HA ARG 7 4.708 -10.990 -2.747 58 HB2 ARG 7 2HB ARG 7 4.214 -8.554 -4.435 59 HB3 ARG 7 1HB ARG 7 4.048 -8.752 -2.690 60 HG2 ARG 7 2HG ARG 7 6.002 -7.568 -2.640 61 HG3 ARG 7 1HG ARG 7 6.720 -9.148 -2.955 62 HD2 ARG 7 2HD ARG 7 7.397 -8.519 -5.032 63 HD3 ARG 7 1HD ARG 7 5.809 -7.823 -5.410 64 HE ARG 7 HE ARG 7 7.350 -6.263 -3.467 65 HH11 ARG 7 1HH1 ARG 7 7.682 -7.041 -6.736 66 HH12 ARG 7 2HH1 ARG 7 7.688 -5.403 -7.298 67 HH21 ARG 7 1HH2 ARG 7 6.907 -4.058 -4.199 68 HH22 ARG 7 2HH2 ARG 7 7.249 -3.714 -5.862 69 HA PRO 8 HA PRO 8 1.386 -12.142 -5.422 70 HB2 PRO 8 2HB PRO 8 -0.684 -10.355 -5.225 71 HB3 PRO 8 1HB PRO 8 -0.271 -11.512 -3.945 72 HG2 PRO 8 2HG PRO 8 0.276 -8.606 -4.115 73 HG3 PRO 8 1HG PRO 8 -0.036 -9.618 -2.698 74 HD2 PRO 8 2HD PRO 8 2.458 -8.717 -3.509 75 HD3 PRO 8 1HD PRO 8 2.174 -10.083 -2.412 76 H GLY 9 H GLY 9 3.260 -11.054 -6.965 77 HA2 GLY 9 2HA GLY 9 2.988 -8.821 -8.513 78 HA3 GLY 9 1HA GLY 9 3.465 -10.364 -9.221 79 H LYS 10 H LYS 10 0.843 -11.604 -8.552 80 HA LYS 10 HA LYS 10 -0.555 -11.105 -10.981 81 HB2 LYS 10 2HB LYS 10 -2.332 -12.434 -9.834 82 HB3 LYS 10 1HB LYS 10 -0.733 -13.147 -9.620 83 HG2 LYS 10 2HG LYS 10 -0.624 -12.581 -7.384 84 HG3 LYS 10 1HG LYS 10 -1.655 -11.164 -7.585 85 HD2 LYS 10 2HD LYS 10 -3.183 -13.479 -8.279 86 HD3 LYS 10 1HD LYS 10 -2.411 -13.777 -6.723 87 HE2 LYS 10 2HE LYS 10 -3.523 -11.059 -6.967 88 HE3 LYS 10 1HE LYS 10 -4.743 -12.347 -7.043 89 HZ1 LYS 10 3HZ LYS 10 -3.866 -11.508 -4.743 90 HZ2 LYS 10 1HZ LYS 10 -2.570 -12.551 -5.078 91 HZ3 LYS 10 2HZ LYS 10 -4.153 -13.162 -4.999 92 H ASP 11 H ASP 11 -3.181 -10.922 -9.204 93 HA ASP 11 HA ASP 11 -3.832 -8.214 -9.792 94 HB2 ASP 11 2HB ASP 11 -5.071 -10.510 -8.844 95 HB3 ASP 11 1HB ASP 11 -5.186 -9.406 -7.473 96 H LEU 12 H LEU 12 -2.017 -6.947 -8.966 97 HA LEU 12 HA LEU 12 -1.862 -6.777 -5.980 98 HB2 LEU 12 2HB LEU 12 0.033 -6.936 -8.111 99 HB3 LEU 12 1HB LEU 12 0.207 -5.347 -7.362 100 HG LEU 12 HG LEU 12 0.100 -7.928 -5.783 101 HD11 LEU 12 1HD1 LEU 12 2.446 -8.009 -5.769 102 HD12 LEU 12 2HD1 LEU 12 2.602 -6.335 -6.296 103 HD13 LEU 12 3HD1 LEU 12 2.089 -7.575 -7.441 104 HD21 LEU 12 3HD2 LEU 12 -0.302 -6.332 -4.191 105 HD22 LEU 12 1HD2 LEU 12 0.369 -5.034 -5.178 106 HD23 LEU 12 2HD2 LEU 12 1.444 -6.108 -4.283 107 H ASP 13 H ASP 13 -1.985 -4.695 -5.002 108 HA ASP 13 HA ASP 13 -3.499 -2.688 -6.542 109 HB2 ASP 13 2HB ASP 13 -3.988 -3.434 -4.174 110 HB3 ASP 13 1HB ASP 13 -2.485 -2.654 -3.681 111 H ARG 14 H ARG 14 -2.595 -0.882 -7.418 112 HA ARG 14 HA ARG 14 0.051 -0.450 -7.950 113 HB2 ARG 14 2HB ARG 14 -2.388 1.005 -7.975 114 HB3 ARG 14 1HB ARG 14 -1.165 2.074 -7.290 115 HG2 ARG 14 2HG ARG 14 -1.210 2.304 -9.731 116 HG3 ARG 14 1HG ARG 14 0.316 1.584 -9.218 117 HD2 ARG 14 2HD ARG 14 -0.717 -0.695 -9.668 118 HD3 ARG 14 1HD ARG 14 -2.077 0.160 -10.424 119 HE ARG 14 HE ARG 14 0.680 0.820 -11.330 120 HH11 ARG 14 1HH1 ARG 14 -1.022 -1.811 -12.063 121 HH12 ARG 14 2HH1 ARG 14 -1.458 -1.379 -13.683 122 HH21 ARG 14 1HH2 ARG 14 -0.476 1.930 -13.344 123 HH22 ARG 14 2HH2 ARG 14 -1.147 0.741 -14.408 124 H ILE 15 H ILE 15 -1.624 0.721 -5.023 125 HA ILE 15 HA ILE 15 0.705 1.968 -3.865 126 HB ILE 15 HB ILE 15 -1.771 0.880 -2.510 127 HG12 ILE 15 2HG1 ILE 15 -2.666 2.161 -4.274 128 HG13 ILE 15 1HG1 ILE 15 -2.547 3.330 -2.962 129 HG21 ILE 15 1HG2 ILE 15 -1.314 2.394 -0.797 130 HG22 ILE 15 2HG2 ILE 15 -0.331 3.426 -1.835 131 HG23 ILE 15 3HG2 ILE 15 0.311 1.889 -1.258 132 HD11 ILE 15 3HD1 ILE 15 -0.086 3.621 -4.037 133 HD12 ILE 15 1HD1 ILE 15 -1.475 4.571 -4.562 134 HD13 ILE 15 2HD1 ILE 15 -0.982 3.148 -5.480 135 H ASP 16 H ASP 16 -0.529 -1.320 -3.833 136 HA ASP 16 HA ASP 16 0.972 -2.197 -1.510 137 HB2 ASP 16 2HB ASP 16 -0.600 -3.375 -3.766 138 HB3 ASP 16 1HB ASP 16 0.478 -4.456 -2.882 139 H ARG 17 H ARG 17 1.462 -2.910 -5.004 140 HA ARG 17 HA ARG 17 4.024 -4.070 -4.732 141 HB2 ARG 17 2HB ARG 17 4.210 -3.203 -7.180 142 HB3 ARG 17 1HB ARG 17 2.897 -4.314 -6.797 143 HG2 ARG 17 2HG ARG 17 1.329 -2.755 -7.252 144 HG3 ARG 17 1HG ARG 17 2.157 -1.542 -6.281 145 HD2 ARG 17 2HD ARG 17 2.538 -0.536 -8.309 146 HD3 ARG 17 1HD ARG 17 3.836 -1.739 -8.451 147 HE ARG 17 HE ARG 17 1.187 -1.895 -9.758 148 HH11 ARG 17 1HH1 ARG 17 1.888 -4.552 -8.521 149 HH12 ARG 17 2HH1 ARG 17 2.748 -5.327 -9.810 150 HH21 ARG 17 1HH2 ARG 17 3.268 -2.391 -11.581 151 HH22 ARG 17 2HH2 ARG 17 3.528 -4.103 -11.544 152 H ASN 18 H ASN 18 3.080 -0.690 -5.010 153 HA ASN 18 HA ASN 18 5.779 0.344 -5.242 154 HB2 ASN 18 2HB ASN 18 3.180 1.287 -5.491 155 HB3 ASN 18 1HB ASN 18 3.729 2.059 -4.000 156 HD21 ASN 18 1HD2 ASN 18 3.269 3.528 -6.462 157 HD22 ASN 18 2HD2 ASN 18 4.764 4.143 -6.978 158 H ILE 19 H ILE 19 3.479 -0.118 -2.567 159 HA ILE 19 HA ILE 19 5.184 0.943 -0.508 160 HB ILE 19 HB ILE 19 2.796 -0.898 -0.679 161 HG12 ILE 19 2HG1 ILE 19 3.258 1.821 0.588 162 HG13 ILE 19 1HG1 ILE 19 2.475 1.537 -0.966 163 HG21 ILE 19 1HG2 ILE 19 4.706 -0.672 1.517 164 HG22 ILE 19 2HG2 ILE 19 3.382 -1.815 1.301 165 HG23 ILE 19 3HG2 ILE 19 3.071 -0.228 2.005 166 HD11 ILE 19 3HD1 ILE 19 0.817 0.057 0.286 167 HD12 ILE 19 1HD1 ILE 19 0.707 1.784 0.627 168 HD13 ILE 19 2HD1 ILE 19 1.501 0.708 1.775 169 H LEU 20 H LEU 20 4.789 -2.255 -1.991 170 HA LEU 20 HA LEU 20 6.492 -3.660 -0.102 171 HB2 LEU 20 2HB LEU 20 5.460 -4.164 -2.911 172 HB3 LEU 20 1HB LEU 20 6.451 -5.340 -2.048 173 HG LEU 20 HG LEU 20 3.810 -4.207 -1.081 174 HD11 LEU 20 1HD1 LEU 20 3.909 -7.069 -1.384 175 HD12 LEU 20 2HD1 LEU 20 4.391 -6.305 -2.899 176 HD13 LEU 20 3HD1 LEU 20 2.833 -5.915 -2.171 177 HD21 LEU 20 3HD2 LEU 20 4.167 -6.186 0.583 178 HD22 LEU 20 1HD2 LEU 20 5.037 -4.679 0.869 179 HD23 LEU 20 2HD2 LEU 20 5.865 -6.048 0.129 180 H ASN 21 H ASN 21 6.978 -2.105 -3.283 181 HA ASN 21 HA ASN 21 9.745 -2.869 -3.592 182 HB2 ASN 21 2HB ASN 21 8.549 -2.127 -5.509 183 HB3 ASN 21 1HB ASN 21 7.921 -0.709 -4.669 184 HD21 ASN 21 1HD2 ASN 21 8.859 0.656 -6.427 185 HD22 ASN 21 2HD2 ASN 21 10.526 0.984 -6.444 186 H GLU 22 H GLU 22 8.091 -0.119 -2.078 187 HA GLU 22 HA GLU 22 10.526 1.330 -1.451 188 HB2 GLU 22 2HB GLU 22 8.978 2.918 -0.941 189 HB3 GLU 22 1HB GLU 22 7.761 1.763 -1.477 190 HG2 GLU 22 2HG GLU 22 7.093 2.385 0.719 191 HG3 GLU 22 1HG GLU 22 7.853 0.805 0.906 192 H LEU 23 H LEU 23 8.518 -1.078 0.170 193 HA LEU 23 HA LEU 23 9.822 -0.861 2.756 194 HB2 LEU 23 2HB LEU 23 7.989 -2.754 1.310 195 HB3 LEU 23 1HB LEU 23 8.735 -3.277 2.820 196 HG LEU 23 HG LEU 23 7.193 -0.687 2.509 197 HD11 LEU 23 1HD1 LEU 23 6.179 -3.315 2.564 198 HD12 LEU 23 2HD1 LEU 23 5.275 -1.825 2.827 199 HD13 LEU 23 3HD1 LEU 23 5.961 -2.690 4.198 200 HD21 LEU 23 3HD2 LEU 23 8.085 -0.234 4.528 201 HD22 LEU 23 1HD2 LEU 23 8.910 -1.792 4.546 202 HD23 LEU 23 2HD2 LEU 23 7.268 -1.657 5.173 203 H GLN 24 H GLN 24 10.491 -2.482 -0.260 204 HA GLN 24 HA GLN 24 12.374 -4.430 0.787 205 HB2 GLN 24 2HB GLN 24 11.355 -4.893 -1.304 206 HB3 GLN 24 1HB GLN 24 11.650 -3.260 -1.901 207 HG2 GLN 24 2HG GLN 24 14.112 -4.662 -1.146 208 HG3 GLN 24 1HG GLN 24 13.227 -5.470 -2.441 209 HE21 GLN 24 1HE2 GLN 24 15.777 -3.669 -2.395 210 HE22 GLN 24 2HE2 GLN 24 15.473 -2.533 -3.619 211 H LYS 25 H LYS 25 12.676 -1.231 -0.797 212 HA LYS 25 HA LYS 25 15.568 -1.160 -0.637 213 HB2 LYS 25 2HB LYS 25 15.204 0.711 -1.888 214 HB3 LYS 25 1HB LYS 25 13.500 0.267 -1.838 215 HG2 LYS 25 2HG LYS 25 13.209 1.602 0.221 216 HG3 LYS 25 1HG LYS 25 14.914 2.050 0.168 217 HD2 LYS 25 2HD LYS 25 14.466 3.715 -1.276 218 HD3 LYS 25 1HD LYS 25 13.718 2.574 -2.396 219 HE2 LYS 25 2HE LYS 25 11.602 3.132 -1.733 220 HE3 LYS 25 1HE LYS 25 12.071 3.242 -0.024 221 HZ1 LYS 25 3HZ LYS 25 11.582 5.391 -1.460 222 HZ2 LYS 25 1HZ LYS 25 13.215 5.192 -1.879 223 HZ3 LYS 25 2HZ LYS 25 12.773 5.380 -0.250 224 H ASP 26 H ASP 26 12.942 -0.177 1.482 225 HA ASP 26 HA ASP 26 14.992 0.472 3.556 226 HB2 ASP 26 2HB ASP 26 12.741 2.020 2.423 227 HB3 ASP 26 1HB ASP 26 12.821 2.035 4.186 228 H GLY 27 H GLY 27 14.650 -1.736 4.365 229 HA2 GLY 27 2HA GLY 27 11.999 -2.643 5.126 230 HA3 GLY 27 1HA GLY 27 13.520 -3.405 5.587 231 H ARG 28 H ARG 28 13.830 -0.214 6.370 232 HA ARG 28 HA ARG 28 12.954 -0.735 9.187 233 HB2 ARG 28 2HB ARG 28 14.695 1.248 9.483 234 HB3 ARG 28 1HB ARG 28 15.266 -0.401 9.244 235 HG2 ARG 28 2HG ARG 28 16.443 1.239 7.777 236 HG3 ARG 28 1HG ARG 28 15.574 0.013 6.854 237 HD2 ARG 28 2HD ARG 28 15.189 2.296 5.927 238 HD3 ARG 28 1HD ARG 28 13.681 1.600 6.550 239 HE ARG 28 HE ARG 28 14.059 2.923 8.637 240 HH11 ARG 28 1HH2 ARG 28 14.379 4.399 5.736 241 HH12 ARG 28 2HH2 ARG 28 15.408 5.689 6.259 242 HH21 ARG 28 1HH1 ARG 28 16.049 4.280 9.359 243 HH22 ARG 28 2HH1 ARG 28 16.354 5.622 8.308 244 H ILE 29 H ILE 29 11.233 0.327 6.999 245 HA ILE 29 HA ILE 29 10.748 3.092 8.050 246 HB ILE 29 HB ILE 29 11.425 2.788 5.639 247 HG12 ILE 29 2HG1 ILE 29 8.592 3.788 6.070 248 HG13 ILE 29 1HG1 ILE 29 10.053 4.720 6.395 249 HG21 ILE 29 1HG2 ILE 29 10.408 1.249 4.341 250 HG22 ILE 29 2HG2 ILE 29 8.813 1.879 4.756 251 HG23 ILE 29 3HG2 ILE 29 9.581 0.673 5.788 252 HD11 ILE 29 3HD1 ILE 29 9.754 5.442 4.250 253 HD12 ILE 29 1HD1 ILE 29 8.787 4.036 3.806 254 HD13 ILE 29 2HD1 ILE 29 10.547 3.920 3.844 255 H SER 30 H SER 30 8.641 3.613 8.694 256 HA SER 30 HA SER 30 6.894 1.321 9.297 257 HB2 SER 30 2HB SER 30 7.419 3.077 10.953 258 HB3 SER 30 1HB SER 30 6.717 4.296 9.891 259 HG SER 30 HG SER 30 5.497 2.740 11.665 260 H ASN 31 H ASN 31 5.072 4.135 8.891 261 HA ASN 31 HA ASN 31 4.138 3.249 6.177 262 HB2 ASN 31 2HB ASN 31 1.870 4.042 7.115 263 HB3 ASN 31 1HB ASN 31 2.524 2.553 7.799 264 HD21 ASN 31 1HD2 ASN 31 1.391 5.692 8.594 265 HD22 ASN 31 2HD2 ASN 31 1.917 5.723 10.208 266 H VAL 32 H VAL 32 4.067 6.017 8.477 267 HA VAL 32 HA VAL 32 3.241 8.089 6.852 268 HB VAL 32 HB VAL 32 5.606 7.957 8.758 269 HG11 VAL 32 1HG1 VAL 32 5.871 9.955 7.448 270 HG12 VAL 32 2HG1 VAL 32 5.162 10.445 8.986 271 HG13 VAL 32 3HG1 VAL 32 4.149 10.320 7.549 272 HG21 VAL 32 3HG2 VAL 32 3.823 7.515 10.135 273 HG22 VAL 32 1HG2 VAL 32 2.657 8.238 9.029 274 HG23 VAL 32 2HG2 VAL 32 3.639 9.268 10.071 275 H GLU 33 H GLU 33 6.725 7.277 7.151 276 HA GLU 33 HA GLU 33 7.522 8.676 4.785 277 HB2 GLU 33 2HB GLU 33 8.843 7.684 6.819 278 HB3 GLU 33 1HB GLU 33 8.861 6.197 5.872 279 HG2 GLU 33 2HG GLU 33 10.839 7.225 5.172 280 HG3 GLU 33 1HG GLU 33 9.699 7.763 3.938 281 H LEU 34 H LEU 34 6.297 5.432 5.389 282 HA LEU 34 HA LEU 34 6.879 4.299 2.810 283 HB2 LEU 34 2HB LEU 34 5.998 3.415 5.219 284 HB3 LEU 34 1HB LEU 34 4.472 3.462 4.336 285 HG LEU 34 HG LEU 34 6.981 2.079 3.341 286 HD11 LEU 34 1HD1 LEU 34 4.765 1.212 5.106 287 HD12 LEU 34 2HD1 LEU 34 6.396 0.561 4.944 288 HD13 LEU 34 3HD1 LEU 34 5.148 0.110 3.783 289 HD21 LEU 34 3HD2 LEU 34 4.101 2.056 2.377 290 HD22 LEU 34 1HD2 LEU 34 5.408 1.086 1.701 291 HD23 LEU 34 2HD2 LEU 34 5.452 2.843 1.565 292 H SER 35 H SER 35 4.430 6.454 4.015 293 HA SER 35 HA SER 35 2.515 6.004 1.873 294 HB2 SER 35 2HB SER 35 1.264 7.588 3.046 295 HB3 SER 35 1HB SER 35 2.271 6.892 4.317 296 HG SER 35 HG SER 35 2.115 9.398 3.666 297 H LYS 36 H LYS 36 4.979 8.468 2.613 298 HA LYS 36 HA LYS 36 4.426 10.158 0.351 299 HB2 LYS 36 2HB LYS 36 6.813 9.674 2.154 300 HB3 LYS 36 1HB LYS 36 6.809 10.928 0.913 301 HG2 LYS 36 2HG LYS 36 5.531 12.291 2.178 302 HG3 LYS 36 1HG LYS 36 4.377 11.001 2.510 303 HD2 LYS 36 2HD LYS 36 5.443 10.355 4.455 304 HD3 LYS 36 1HD LYS 36 7.027 10.886 3.885 305 HE2 LYS 36 2HE LYS 36 4.753 12.718 4.743 306 HE3 LYS 36 1HE LYS 36 6.239 12.402 5.660 307 HZ1 LYS 36 3HZ LYS 36 7.048 12.985 3.087 308 HZ2 LYS 36 1HZ LYS 36 7.205 13.985 4.448 309 HZ3 LYS 36 2HZ LYS 36 5.849 14.136 3.437 310 H ARG 37 H ARG 37 6.343 7.237 0.774 311 HA ARG 37 HA ARG 37 7.867 7.491 -1.677 312 HB2 ARG 37 2HB ARG 37 7.122 4.991 -0.136 313 HB3 ARG 37 1HB ARG 37 8.560 5.244 -1.126 314 HG2 ARG 37 2HG ARG 37 8.194 7.232 1.025 315 HG3 ARG 37 1HG ARG 37 8.484 5.587 1.590 316 HD2 ARG 37 2HD ARG 37 10.645 5.590 0.845 317 HD3 ARG 37 1HD ARG 37 10.226 6.465 -0.641 318 HE ARG 37 HE ARG 37 10.064 7.990 1.893 319 HH11 ARG 37 1HH2 ARG 37 10.505 8.507 -1.273 320 HH12 ARG 37 2HH2 ARG 37 12.008 9.362 -1.164 321 HH21 ARG 37 1HH1 ARG 37 12.536 8.539 2.163 322 HH22 ARG 37 2HH1 ARG 37 13.157 9.379 0.782 323 H VAL 38 H VAL 38 4.647 6.557 -0.943 324 HA VAL 38 HA VAL 38 4.340 5.220 -3.602 325 HB VAL 38 HB VAL 38 2.348 5.325 -1.322 326 HG11 VAL 38 1HG1 VAL 38 2.445 4.135 -3.923 327 HG12 VAL 38 2HG1 VAL 38 1.157 4.041 -2.724 328 HG13 VAL 38 3HG1 VAL 38 2.452 2.846 -2.721 329 HG21 VAL 38 3HG2 VAL 38 3.904 2.873 -1.457 330 HG22 VAL 38 1HG2 VAL 38 3.580 3.911 -0.068 331 HG23 VAL 38 2HG2 VAL 38 4.941 4.260 -1.132 332 H GLY 39 H GLY 39 4.255 8.247 -2.539 333 HA2 GLY 39 2HA GLY 39 3.077 10.182 -3.148 334 HA3 GLY 39 1HA GLY 39 2.570 9.273 -4.574 335 H LEU 40 H LEU 40 1.814 7.848 -1.551 336 HA LEU 40 HA LEU 40 -1.033 8.768 -1.803 337 HB2 LEU 40 2HB LEU 40 -0.936 6.498 -2.503 338 HB3 LEU 40 1HB LEU 40 0.267 6.091 -1.279 339 HG LEU 40 HG LEU 40 -1.438 6.521 0.478 340 HD11 LEU 40 1HD1 LEU 40 -3.088 7.910 -0.331 341 HD12 LEU 40 2HD1 LEU 40 -3.866 6.361 -0.657 342 HD13 LEU 40 3HD1 LEU 40 -3.021 7.212 -1.950 343 HD21 LEU 40 3HD2 LEU 40 -1.103 4.240 -0.173 344 HD22 LEU 40 1HD2 LEU 40 -2.038 4.463 -1.651 345 HD23 LEU 40 2HD2 LEU 40 -2.847 4.486 -0.086 346 H SER 41 H SER 41 -1.924 9.561 0.106 347 HA SER 41 HA SER 41 -0.453 10.252 2.385 348 HB2 SER 41 2HB SER 41 -3.339 9.460 1.949 349 HB3 SER 41 1HB SER 41 -2.765 10.055 3.505 350 HG SER 41 HG SER 41 -3.453 11.820 2.379 351 HA PRO 42 HA PRO 42 0.347 6.493 4.334 352 HB2 PRO 42 2HB PRO 42 0.294 7.203 6.979 353 HB3 PRO 42 1HB PRO 42 1.599 7.674 5.875 354 HG2 PRO 42 2HG PRO 42 -0.710 9.268 6.861 355 HG3 PRO 42 1HG PRO 42 0.956 9.772 6.541 356 HD2 PRO 42 2HD PRO 42 -1.157 10.238 4.842 357 HD3 PRO 42 1HD PRO 42 0.543 10.159 4.328 358 H THR 43 H THR 43 -2.389 8.284 5.796 359 HA THR 43 HA THR 43 -3.737 6.361 7.229 360 HB THR 43 HB THR 43 -4.513 8.556 5.358 361 HG1 THR 43 1HG THR 43 -4.023 8.785 7.621 362 HG21 THR 43 3HG2 THR 43 -6.973 7.971 6.089 363 HG22 THR 43 1HG2 THR 43 -6.338 6.330 6.215 364 HG23 THR 43 2HG2 THR 43 -6.273 7.185 4.673 365 HA PRO 44 HA PRO 44 -5.391 4.266 3.272 366 HB2 PRO 44 2HB PRO 44 -4.428 5.137 0.852 367 HB3 PRO 44 1HB PRO 44 -5.870 5.830 1.621 368 HG2 PRO 44 2HG PRO 44 -3.086 6.880 1.513 369 HG3 PRO 44 1HG PRO 44 -4.626 7.752 1.441 370 HD2 PRO 44 2HD PRO 44 -3.056 7.596 3.688 371 HD3 PRO 44 1HD PRO 44 -4.810 7.868 3.715 372 H CYS 45 H CYS 45 -2.075 5.482 2.535 373 HA CYS 45 HA CYS 45 -0.869 3.314 1.358 374 HB2 CYS 45 2HB CYS 45 0.192 5.459 2.164 375 HB3 CYS 45 1HB CYS 45 0.226 4.765 3.785 376 HG CYS 45 HG CYS 45 2.034 3.913 1.432 377 H LEU 46 H LEU 46 -1.525 3.654 4.828 378 HA LEU 46 HA LEU 46 -0.621 1.043 5.595 379 HB2 LEU 46 2HB LEU 46 -2.706 2.952 6.704 380 HB3 LEU 46 1HB LEU 46 -2.062 1.560 7.580 381 HG LEU 46 HG LEU 46 0.070 3.189 6.463 382 HD11 LEU 46 1HD1 LEU 46 -0.541 5.269 7.056 383 HD12 LEU 46 2HD1 LEU 46 -0.901 4.724 8.695 384 HD13 LEU 46 3HD1 LEU 46 -2.146 4.655 7.449 385 HD21 LEU 46 3HD2 LEU 46 -0.744 2.056 9.125 386 HD22 LEU 46 1HD2 LEU 46 0.581 3.215 9.037 387 HD23 LEU 46 2HD2 LEU 46 0.681 1.692 8.153 388 H GLU 47 H GLU 47 -3.892 2.339 4.937 389 HA GLU 47 HA GLU 47 -5.413 0.013 5.102 390 HB2 GLU 47 2HB GLU 47 -5.535 2.610 3.883 391 HB3 GLU 47 1HB GLU 47 -6.199 1.424 2.762 392 HG2 GLU 47 2HG GLU 47 -7.700 0.583 4.519 393 HG3 GLU 47 1HG GLU 47 -7.018 1.735 5.668 394 H ARG 48 H ARG 48 -3.490 1.171 2.334 395 HA ARG 48 HA ARG 48 -3.995 -1.103 0.635 396 HB2 ARG 48 2HB ARG 48 -1.615 0.778 0.680 397 HB3 ARG 48 1HB ARG 48 -2.262 -0.083 -0.719 398 HG2 ARG 48 2HG ARG 48 -4.299 1.527 0.625 399 HG3 ARG 48 1HG ARG 48 -2.942 2.503 0.061 400 HD2 ARG 48 2HD ARG 48 -3.802 2.391 -2.030 401 HD3 ARG 48 1HD ARG 48 -3.538 0.638 -2.009 402 HE ARG 48 HE ARG 48 -5.812 0.819 -0.547 403 HH11 ARG 48 1HH1 ARG 48 -5.204 0.766 -3.764 404 HH12 ARG 48 2HH1 ARG 48 -6.640 1.591 -4.269 405 HH21 ARG 48 1HH2 ARG 48 -7.526 2.570 -1.063 406 HH22 ARG 48 2HH2 ARG 48 -7.955 2.612 -2.741 407 H VAL 49 H VAL 49 -1.354 -0.220 2.853 408 HA VAL 49 HA VAL 49 0.289 -2.516 2.403 409 HB VAL 49 HB VAL 49 0.310 -0.150 3.885 410 HG11 VAL 49 1HG1 VAL 49 -0.838 -1.243 5.761 411 HG12 VAL 49 2HG1 VAL 49 0.835 -0.903 6.203 412 HG13 VAL 49 3HG1 VAL 49 0.354 -2.542 5.763 413 HG21 VAL 49 3HG2 VAL 49 2.131 -1.820 2.825 414 HG22 VAL 49 1HG2 VAL 49 2.341 -2.245 4.523 415 HG23 VAL 49 2HG2 VAL 49 2.574 -0.577 3.995 416 H ARG 50 H ARG 50 -2.289 -1.875 4.784 417 HA ARG 50 HA ARG 50 -2.159 -4.215 6.317 418 HB2 ARG 50 2HB ARG 50 -4.627 -2.783 5.284 419 HB3 ARG 50 1HB ARG 50 -4.525 -3.751 6.755 420 HG2 ARG 50 2HG ARG 50 -2.517 -1.588 6.543 421 HG3 ARG 50 1HG ARG 50 -4.185 -1.041 6.694 422 HD2 ARG 50 2HD ARG 50 -2.684 -2.885 8.582 423 HD3 ARG 50 1HD ARG 50 -3.338 -1.273 8.937 424 HE ARG 50 HE ARG 50 -4.917 -3.750 8.652 425 HH11 ARG 50 1HH2 ARG 50 -5.370 -1.851 10.883 426 HH12 ARG 50 2HH2 ARG 50 -6.784 -0.992 10.372 427 HH21 ARG 50 1HH1 ARG 50 -6.509 -1.985 7.060 428 HH22 ARG 50 2HH1 ARG 50 -7.429 -1.067 8.206 429 H ARG 51 H ARG 51 -3.875 -3.677 3.254 430 HA ARG 51 HA ARG 51 -4.975 -6.266 2.923 431 HB2 ARG 51 2HB ARG 51 -5.612 -5.317 0.951 432 HB3 ARG 51 1HB ARG 51 -4.778 -3.869 1.510 433 HG2 ARG 51 2HG ARG 51 -3.842 -4.314 -0.624 434 HG3 ARG 51 1HG ARG 51 -2.651 -4.922 0.523 435 HD2 ARG 51 2HD ARG 51 -2.809 -6.763 -0.903 436 HD3 ARG 51 1HD ARG 51 -4.093 -7.168 0.254 437 HE ARG 51 HE ARG 51 -4.557 -5.847 -2.391 438 HH11 ARG 51 1HH2 ARG 51 -5.316 -8.698 -1.172 439 HH12 ARG 51 2HH2 ARG 51 -7.032 -8.489 -1.074 440 HH21 ARG 51 1HH1 ARG 51 -6.910 -5.060 -1.580 441 HH22 ARG 51 2HH1 ARG 51 -7.934 -6.429 -1.303 442 H LEU 52 H LEU 52 -1.725 -5.008 2.348 443 HA LEU 52 HA LEU 52 -0.734 -7.441 1.071 444 HB2 LEU 52 2HB LEU 52 0.217 -4.780 1.936 445 HB3 LEU 52 1HB LEU 52 1.441 -6.049 2.007 446 HG LEU 52 HG LEU 52 -0.297 -5.576 -0.426 447 HD11 LEU 52 1HD1 LEU 52 0.991 -3.560 -0.121 448 HD12 LEU 52 2HD1 LEU 52 1.797 -4.509 -1.370 449 HD13 LEU 52 3HD1 LEU 52 2.442 -4.482 0.273 450 HD21 LEU 52 3HD2 LEU 52 1.191 -7.054 -1.527 451 HD22 LEU 52 1HD2 LEU 52 0.929 -7.808 0.046 452 HD23 LEU 52 2HD2 LEU 52 2.411 -6.903 -0.262 453 H GLU 53 H GLU 53 -1.269 -6.372 4.318 454 HA GLU 53 HA GLU 53 0.718 -7.988 5.660 455 HB2 GLU 53 2HB GLU 53 -1.149 -6.013 6.264 456 HB3 GLU 53 1HB GLU 53 -1.781 -7.436 7.092 457 HG2 GLU 53 2HG GLU 53 1.090 -7.254 7.432 458 HG3 GLU 53 1HG GLU 53 0.304 -5.768 7.969 459 H ARG 54 H ARG 54 -2.839 -8.410 5.450 460 HA ARG 54 HA ARG 54 -2.987 -11.022 6.498 461 HB2 ARG 54 2HB ARG 54 -4.615 -9.733 4.281 462 HB3 ARG 54 1HB ARG 54 -5.145 -11.072 5.300 463 HG2 ARG 54 2HG ARG 54 -4.534 -9.408 7.261 464 HG3 ARG 54 1HG ARG 54 -4.764 -8.186 6.011 465 HD2 ARG 54 2HD ARG 54 -7.036 -8.669 5.766 466 HD3 ARG 54 1HD ARG 54 -6.845 -10.331 6.356 467 HE ARG 54 HE ARG 54 -6.887 -9.506 8.593 468 HH11 ARG 54 1HH2 ARG 54 -8.711 -7.422 7.211 469 HH12 ARG 54 2HH2 ARG 54 -8.099 -5.961 7.913 470 HH21 ARG 54 1HH1 ARG 54 -5.189 -7.434 9.090 471 HH22 ARG 54 2HH1 ARG 54 -6.106 -5.968 8.977 472 H GLN 55 H GLN 55 -1.852 -9.942 3.380 473 HA GLN 55 HA GLN 55 -2.080 -12.581 2.107 474 HB2 GLN 55 2HB GLN 55 -0.648 -10.015 1.334 475 HB3 GLN 55 1HB GLN 55 -0.955 -11.378 0.256 476 HG2 GLN 55 2HG GLN 55 -3.225 -10.048 1.722 477 HG3 GLN 55 1HG GLN 55 -2.614 -9.372 0.211 478 HE21 GLN 55 1HE2 GLN 55 -3.795 -10.112 -1.549 479 HE22 GLN 55 2HE2 GLN 55 -4.483 -11.657 -1.687 480 H GLY 56 H GLY 56 -0.219 -11.705 4.572 481 HA2 GLY 56 2HA GLY 56 1.858 -12.422 5.393 482 HA3 GLY 56 1HA GLY 56 1.770 -13.700 4.179 483 H PHE 57 H PHE 57 2.055 -10.138 3.936 484 HA PHE 57 HA PHE 57 4.596 -10.548 2.404 485 HB2 PHE 57 2HB PHE 57 2.100 -8.986 1.717 486 HB3 PHE 57 1HB PHE 57 3.648 -8.637 0.946 487 HD1 PHE 57 2HD PHE 57 4.853 -11.306 0.705 488 HD2 PHE 57 1HD PHE 57 0.798 -10.043 0.067 489 HE1 PHE 57 2HE PHE 57 4.508 -13.207 -0.851 490 HE2 PHE 57 1HE PHE 57 0.451 -11.945 -1.488 491 HZ PHE 57 HZ PHE 57 2.306 -13.525 -1.948 492 H ILE 58 H ILE 58 3.313 -9.260 5.104 493 HA ILE 58 HA ILE 58 5.261 -6.995 5.105 494 HB ILE 58 HB ILE 58 2.542 -6.792 6.383 495 HG12 ILE 58 2HG1 ILE 58 2.277 -7.428 3.957 496 HG13 ILE 58 1HG1 ILE 58 1.652 -5.823 4.340 497 HG21 ILE 58 1HG2 ILE 58 4.321 -5.127 6.895 498 HG22 ILE 58 2HG2 ILE 58 2.950 -4.398 6.059 499 HG23 ILE 58 3HG2 ILE 58 4.437 -4.752 5.173 500 HD11 ILE 58 3HD1 ILE 58 3.280 -4.753 3.138 501 HD12 ILE 58 1HD1 ILE 58 3.345 -6.290 2.276 502 HD13 ILE 58 2HD1 ILE 58 4.512 -5.945 3.553 503 H GLN 59 H GLN 59 5.553 -9.636 6.239 504 HA GLN 59 HA GLN 59 5.065 -9.364 9.135 505 HB2 GLN 59 2HB GLN 59 6.180 -11.622 9.122 506 HB3 GLN 59 1HB GLN 59 4.801 -11.526 8.027 507 HG2 GLN 59 2HG GLN 59 6.099 -11.864 6.208 508 HG3 GLN 59 1HG GLN 59 7.291 -10.682 6.750 509 HE21 GLN 59 1HE2 GLN 59 9.275 -11.549 7.387 510 HE22 GLN 59 2HE2 GLN 59 9.531 -13.166 7.836 511 H GLY 60 H GLY 60 7.297 -8.148 7.012 512 HA2 GLY 60 2HA GLY 60 9.314 -7.839 9.179 513 HA3 GLY 60 1HA GLY 60 9.849 -8.361 7.579 514 H TYR 61 H TYR 61 8.081 -6.761 6.024 515 HA TYR 61 HA TYR 61 9.512 -4.316 5.798 516 HB2 TYR 61 2HB TYR 61 6.661 -4.966 4.989 517 HB3 TYR 61 1HB TYR 61 7.699 -3.742 4.259 518 HD1 TYR 61 1HD TYR 61 10.265 -5.536 4.544 519 HD2 TYR 61 2HD TYR 61 6.362 -6.178 2.874 520 HE1 TYR 61 1HE TYR 61 11.203 -7.245 3.011 521 HE2 TYR 61 2HE TYR 61 7.298 -7.888 1.342 522 HH TYR 61 HH TYR 61 9.216 -9.366 1.192 523 H THR 62 H THR 62 6.331 -3.316 5.864 524 HA THR 62 HA THR 62 6.813 -1.733 8.293 525 HB THR 62 HB THR 62 5.853 -0.862 6.136 526 HG1 THR 62 1HG THR 62 4.113 0.252 7.244 527 HG21 THR 62 3HG2 THR 62 3.306 -1.320 5.971 528 HG22 THR 62 1HG2 THR 62 3.656 -2.741 6.955 529 HG23 THR 62 2HG2 THR 62 4.411 -2.556 5.373 530 H ALA 63 H ALA 63 6.215 -4.740 8.271 531 HA ALA 63 HA ALA 63 3.781 -5.614 9.093 532 HB1 ALA 63 1HB ALA 63 6.355 -6.452 9.367 533 HB2 ALA 63 2HB ALA 63 4.993 -7.271 10.130 534 HB3 ALA 63 3HB ALA 63 5.959 -6.120 11.053 535 H LEU 64 H LEU 64 5.834 -3.345 10.848 536 HA LEU 64 HA LEU 64 4.426 -3.212 13.314 537 HB2 LEU 64 2HB LEU 64 5.414 -0.819 13.233 538 HB3 LEU 64 1HB LEU 64 6.554 -2.155 13.104 539 HG LEU 64 HG LEU 64 5.478 -1.366 10.497 540 HD11 LEU 64 1HD1 LEU 64 7.368 0.678 11.047 541 HD12 LEU 64 2HD1 LEU 64 6.173 0.739 12.341 542 HD13 LEU 64 3HD1 LEU 64 5.658 0.872 10.660 543 HD21 LEU 64 3HD2 LEU 64 8.341 -1.245 11.456 544 HD22 LEU 64 1HD2 LEU 64 7.739 -1.642 9.849 545 HD23 LEU 64 2HD2 LEU 64 7.547 -2.792 11.169 546 H LEU 65 H LEU 65 4.225 -0.132 11.987 547 HA LEU 65 HA LEU 65 2.284 1.239 11.799 548 HB2 LEU 65 2HB LEU 65 1.616 0.990 9.585 549 HB3 LEU 65 1HB LEU 65 3.049 -0.040 9.571 550 HG LEU 65 HG LEU 65 1.060 -1.762 10.452 551 HD11 LEU 65 1HD1 LEU 65 -0.926 -1.385 9.328 552 HD12 LEU 65 2HD1 LEU 65 -0.148 -0.439 8.059 553 HD13 LEU 65 3HD1 LEU 65 -0.441 0.281 9.642 554 HD21 LEU 65 3HD2 LEU 65 1.175 -2.025 7.653 555 HD22 LEU 65 1HD2 LEU 65 2.183 -2.860 8.836 556 HD23 LEU 65 2HD2 LEU 65 2.730 -1.342 8.124 557 H ASN 66 H ASN 66 1.959 -0.994 13.764 558 HA ASN 66 HA ASN 66 -0.952 -0.884 14.010 559 HB2 ASN 66 2HB ASN 66 -0.117 -2.724 12.269 560 HB3 ASN 66 1HB ASN 66 0.182 -3.648 13.742 561 HD21 ASN 66 1HD2 ASN 66 -1.589 -4.866 14.396 562 HD22 ASN 66 2HD2 ASN 66 -3.212 -4.481 14.081 Start of MODEL 17 1 H1 MET 1 1HT MET 1 17.478 -16.403 -5.078 2 H2 MET 1 2HT MET 1 17.765 -17.961 -4.468 3 H3 MET 1 3HT MET 1 18.455 -16.609 -3.707 4 HA MET 1 HA MET 1 15.975 -17.813 -3.170 5 HB2 MET 1 2HB MET 1 17.355 -15.283 -2.204 6 HB3 MET 1 1HB MET 1 16.118 -16.178 -1.322 7 HG2 MET 1 2HG MET 1 17.579 -17.793 -0.668 8 HG3 MET 1 1HG MET 1 18.395 -17.819 -2.231 9 HE1 MET 1 2HE MET 1 20.156 -16.970 1.354 10 HE2 MET 1 3HE MET 1 20.923 -17.823 0.016 11 HE3 MET 1 1HE MET 1 19.268 -18.225 0.494 12 H VAL 2 H VAL 2 13.906 -17.176 -3.665 13 HA VAL 2 HA VAL 2 13.377 -15.166 -5.644 14 HB VAL 2 HB VAL 2 12.035 -17.228 -5.065 15 HG11 VAL 2 1HG1 VAL 2 10.502 -15.825 -2.997 16 HG12 VAL 2 2HG1 VAL 2 12.157 -16.181 -2.501 17 HG13 VAL 2 3HG1 VAL 2 11.092 -17.488 -3.023 18 HG21 VAL 2 3HG2 VAL 2 9.912 -15.323 -4.779 19 HG22 VAL 2 1HG2 VAL 2 10.418 -16.184 -6.233 20 HG23 VAL 2 2HG2 VAL 2 11.146 -14.629 -5.831 21 H ASP 3 H ASP 3 12.751 -13.017 -5.406 22 HA ASP 3 HA ASP 3 13.370 -11.637 -2.948 23 HB2 ASP 3 2HB ASP 3 12.630 -9.693 -4.224 24 HB3 ASP 3 1HB ASP 3 13.526 -10.763 -5.303 25 H SER 4 H SER 4 10.366 -12.804 -4.415 26 HA SER 4 HA SER 4 8.173 -12.918 -3.540 27 HB2 SER 4 2HB SER 4 10.141 -13.320 -1.425 28 HB3 SER 4 1HB SER 4 8.628 -12.676 -0.788 29 HG SER 4 HG SER 4 8.886 -14.921 -2.512 30 H LYS 5 H LYS 5 7.900 -10.660 -4.480 31 HA LYS 5 HA LYS 5 7.341 -8.710 -2.276 32 HB2 LYS 5 2HB LYS 5 9.150 -8.555 -4.596 33 HB3 LYS 5 1HB LYS 5 8.064 -7.172 -4.459 34 HG2 LYS 5 2HG LYS 5 8.911 -7.599 -1.841 35 HG3 LYS 5 1HG LYS 5 10.361 -7.896 -2.801 36 HD2 LYS 5 2HD LYS 5 8.615 -5.457 -3.210 37 HD3 LYS 5 1HD LYS 5 9.980 -5.468 -2.093 38 HE2 LYS 5 2HE LYS 5 11.322 -4.982 -3.857 39 HE3 LYS 5 1HE LYS 5 10.948 -6.590 -4.509 40 HZ1 LYS 5 3HZ LYS 5 9.316 -5.778 -5.842 41 HZ2 LYS 5 1HZ LYS 5 10.271 -4.378 -5.778 42 HZ3 LYS 5 2HZ LYS 5 8.905 -4.518 -4.780 43 H LYS 6 H LYS 6 5.564 -10.561 -3.803 44 HA LYS 6 HA LYS 6 3.427 -8.728 -4.423 45 HB2 LYS 6 2HB LYS 6 3.461 -8.931 -6.854 46 HB3 LYS 6 1HB LYS 6 5.036 -8.345 -6.317 47 HG2 LYS 6 2HG LYS 6 5.072 -11.208 -6.260 48 HG3 LYS 6 1HG LYS 6 4.468 -10.689 -7.834 49 HD2 LYS 6 2HD LYS 6 6.593 -8.948 -7.269 50 HD3 LYS 6 1HD LYS 6 7.165 -10.539 -6.768 51 HE2 LYS 6 2HE LYS 6 7.013 -11.424 -8.922 52 HE3 LYS 6 1HE LYS 6 5.761 -10.266 -9.414 53 HZ1 LYS 6 3HZ LYS 6 8.563 -9.541 -8.738 54 HZ2 LYS 6 1HZ LYS 6 7.359 -8.491 -9.311 55 HZ3 LYS 6 2HZ LYS 6 7.973 -9.709 -10.322 56 H ARG 7 H ARG 7 3.068 -10.786 -2.830 57 HA ARG 7 HA ARG 7 2.586 -13.355 -4.004 58 HB2 ARG 7 2HB ARG 7 2.715 -13.431 -1.698 59 HB3 ARG 7 1HB ARG 7 1.918 -11.871 -1.505 60 HG2 ARG 7 2HG ARG 7 -0.171 -12.803 -1.445 61 HG3 ARG 7 1HG ARG 7 0.229 -14.014 -2.662 62 HD2 ARG 7 2HD ARG 7 1.650 -15.159 -0.858 63 HD3 ARG 7 1HD ARG 7 0.839 -14.090 0.303 64 HE ARG 7 HE ARG 7 -1.194 -15.177 -1.312 65 HH11 ARG 7 1HH2 ARG 7 -1.293 -15.534 1.603 66 HH12 ARG 7 2HH2 ARG 7 -1.065 -17.239 1.801 67 HH21 ARG 7 1HH1 ARG 7 0.193 -17.710 -1.398 68 HH22 ARG 7 2HH1 ARG 7 -0.223 -18.472 0.101 69 HA PRO 8 HA PRO 8 -1.963 -11.983 -4.417 70 HB2 PRO 8 2HB PRO 8 -2.597 -9.392 -3.806 71 HB3 PRO 8 1HB PRO 8 -2.602 -10.695 -2.600 72 HG2 PRO 8 2HG PRO 8 -0.558 -8.590 -3.109 73 HG3 PRO 8 1HG PRO 8 -1.098 -9.292 -1.577 74 HD2 PRO 8 2HD PRO 8 1.238 -9.986 -2.848 75 HD3 PRO 8 1HD PRO 8 0.361 -11.043 -1.723 76 H GLY 9 H GLY 9 0.183 -11.656 -6.276 77 HA2 GLY 9 2HA GLY 9 0.323 -9.264 -7.711 78 HA3 GLY 9 1HA GLY 9 0.474 -10.854 -8.463 79 H LYS 10 H LYS 10 -2.187 -11.772 -7.836 80 HA LYS 10 HA LYS 10 -3.634 -10.700 -10.072 81 HB2 LYS 10 2HB LYS 10 -3.879 -12.985 -9.185 82 HB3 LYS 10 1HB LYS 10 -4.506 -12.336 -7.670 83 HG2 LYS 10 2HG LYS 10 -6.353 -11.243 -9.013 84 HG3 LYS 10 1HG LYS 10 -5.785 -12.159 -10.409 85 HD2 LYS 10 2HD LYS 10 -7.173 -13.797 -9.686 86 HD3 LYS 10 1HD LYS 10 -5.956 -14.097 -8.446 87 HE2 LYS 10 2HE LYS 10 -7.107 -12.671 -6.864 88 HE3 LYS 10 1HE LYS 10 -8.231 -12.111 -8.118 89 HZ1 LYS 10 3HZ LYS 10 -9.372 -14.038 -8.083 90 HZ2 LYS 10 1HZ LYS 10 -8.710 -14.216 -6.531 91 HZ3 LYS 10 2HZ LYS 10 -7.982 -14.989 -7.857 92 H ASP 11 H ASP 11 -3.143 -9.462 -6.976 93 HA ASP 11 HA ASP 11 -5.198 -7.388 -7.400 94 HB2 ASP 11 2HB ASP 11 -5.821 -9.682 -5.980 95 HB3 ASP 11 1HB ASP 11 -5.340 -8.563 -4.705 96 H LEU 12 H LEU 12 -3.195 -6.103 -7.500 97 HA LEU 12 HA LEU 12 -2.173 -5.429 -4.774 98 HB2 LEU 12 2HB LEU 12 -0.824 -6.788 -6.931 99 HB3 LEU 12 1HB LEU 12 -0.040 -5.234 -6.640 100 HG LEU 12 HG LEU 12 -0.765 -6.905 -4.268 101 HD11 LEU 12 1HD1 LEU 12 0.390 -8.354 -6.078 102 HD12 LEU 12 2HD1 LEU 12 1.111 -8.332 -4.469 103 HD13 LEU 12 3HD1 LEU 12 1.816 -7.365 -5.764 104 HD21 LEU 12 3HD2 LEU 12 0.654 -4.530 -4.776 105 HD22 LEU 12 1HD2 LEU 12 1.887 -5.729 -4.384 106 HD23 LEU 12 2HD2 LEU 12 0.578 -5.405 -3.247 107 H ASP 13 H ASP 13 -3.543 -3.492 -5.036 108 HA ASP 13 HA ASP 13 -3.680 -1.665 -7.100 109 HB2 ASP 13 2HB ASP 13 -4.017 -1.727 -4.259 110 HB3 ASP 13 1HB ASP 13 -3.193 -0.224 -4.673 111 H ARG 14 H ARG 14 -2.365 -0.002 -7.915 112 HA ARG 14 HA ARG 14 0.378 -0.335 -8.143 113 HB2 ARG 14 2HB ARG 14 -1.295 2.195 -8.081 114 HB3 ARG 14 1HB ARG 14 0.347 2.115 -8.720 115 HG2 ARG 14 2HG ARG 14 -2.113 0.689 -9.755 116 HG3 ARG 14 1HG ARG 14 -1.103 1.858 -10.606 117 HD2 ARG 14 2HD ARG 14 0.827 0.162 -10.273 118 HD3 ARG 14 1HD ARG 14 -0.455 -1.008 -9.899 119 HE ARG 14 HE ARG 14 -1.481 -0.222 -12.145 120 HH11 ARG 14 1HH2 ARG 14 0.769 1.706 -12.719 121 HH12 ARG 14 2HH2 ARG 14 1.764 0.775 -13.787 122 HH21 ARG 14 1HH1 ARG 14 0.282 -2.248 -12.958 123 HH22 ARG 14 2HH1 ARG 14 1.487 -1.464 -13.924 124 H ILE 15 H ILE 15 -1.381 0.944 -5.417 125 HA ILE 15 HA ILE 15 0.925 2.252 -4.175 126 HB ILE 15 HB ILE 15 -1.919 1.591 -3.459 127 HG12 ILE 15 2HG1 ILE 15 -2.179 3.974 -3.446 128 HG13 ILE 15 1HG1 ILE 15 -0.433 4.229 -3.429 129 HG21 ILE 15 1HG2 ILE 15 0.034 2.952 -1.584 130 HG22 ILE 15 2HG2 ILE 15 -0.386 1.244 -1.451 131 HG23 ILE 15 3HG2 ILE 15 -1.630 2.473 -1.245 132 HD11 ILE 15 3HD1 ILE 15 -1.548 4.559 -5.688 133 HD12 ILE 15 1HD1 ILE 15 -1.870 2.826 -5.694 134 HD13 ILE 15 2HD1 ILE 15 -0.208 3.413 -5.675 135 H ASP 16 H ASP 16 -0.899 -0.775 -3.651 136 HA ASP 16 HA ASP 16 0.555 -1.719 -1.400 137 HB2 ASP 16 2HB ASP 16 -0.742 -3.179 -3.731 138 HB3 ASP 16 1HB ASP 16 -0.306 -3.930 -2.196 139 H ARG 17 H ARG 17 1.147 -2.208 -4.897 140 HA ARG 17 HA ARG 17 3.488 -3.833 -4.580 141 HB2 ARG 17 2HB ARG 17 1.943 -2.520 -6.656 142 HB3 ARG 17 1HB ARG 17 3.671 -2.387 -6.984 143 HG2 ARG 17 2HG ARG 17 3.847 -4.875 -6.552 144 HG3 ARG 17 1HG ARG 17 2.085 -4.923 -6.506 145 HD2 ARG 17 2HD ARG 17 1.890 -4.309 -8.790 146 HD3 ARG 17 1HD ARG 17 3.562 -3.719 -8.857 147 HE ARG 17 HE ARG 17 4.249 -6.137 -8.465 148 HH11 ARG 17 1HH2 ARG 17 2.895 -5.565 -11.191 149 HH12 ARG 17 2HH2 ARG 17 1.882 -6.962 -11.330 150 HH21 ARG 17 1HH1 ARG 17 2.182 -7.842 -7.989 151 HH22 ARG 17 2HH1 ARG 17 1.479 -8.253 -9.517 152 H ASN 18 H ASN 18 3.086 -0.355 -5.179 153 HA ASN 18 HA ASN 18 5.866 0.321 -5.126 154 HB2 ASN 18 2HB ASN 18 3.260 1.594 -5.184 155 HB3 ASN 18 1HB ASN 18 4.320 2.457 -4.067 156 HD21 ASN 18 1HD2 ASN 18 3.751 3.941 -6.244 157 HD22 ASN 18 2HD2 ASN 18 5.018 3.942 -7.373 158 H ILE 19 H ILE 19 3.375 0.151 -2.603 159 HA ILE 19 HA ILE 19 4.980 1.065 -0.428 160 HB ILE 19 HB ILE 19 2.540 -0.666 -0.799 161 HG12 ILE 19 2HG1 ILE 19 3.077 2.033 0.475 162 HG13 ILE 19 1HG1 ILE 19 2.262 1.738 -1.061 163 HG21 ILE 19 1HG2 ILE 19 3.695 -1.606 1.146 164 HG22 ILE 19 2HG2 ILE 19 2.276 -0.698 1.670 165 HG23 ILE 19 3HG2 ILE 19 3.884 0.007 1.833 166 HD11 ILE 19 3HD1 ILE 19 0.624 0.284 0.339 167 HD12 ILE 19 1HD1 ILE 19 0.477 2.038 0.448 168 HD13 ILE 19 2HD1 ILE 19 1.291 1.141 1.729 169 H LEU 20 H LEU 20 4.433 -2.179 -1.809 170 HA LEU 20 HA LEU 20 6.062 -3.572 0.144 171 HB2 LEU 20 2HB LEU 20 4.811 -4.086 -2.538 172 HB3 LEU 20 1HB LEU 20 6.024 -5.225 -1.952 173 HG LEU 20 HG LEU 20 3.555 -4.370 -0.414 174 HD11 LEU 20 1HD1 LEU 20 4.223 -6.908 -1.933 175 HD12 LEU 20 2HD1 LEU 20 2.931 -5.766 -2.302 176 HD13 LEU 20 3HD1 LEU 20 2.852 -6.742 -0.836 177 HD21 LEU 20 3HD2 LEU 20 5.164 -4.965 1.195 178 HD22 LEU 20 1HD2 LEU 20 5.881 -6.197 0.158 179 HD23 LEU 20 2HD2 LEU 20 4.315 -6.485 0.915 180 H ASN 21 H ASN 21 6.649 -2.220 -3.113 181 HA ASN 21 HA ASN 21 9.376 -3.126 -3.346 182 HB2 ASN 21 2HB ASN 21 7.832 -2.308 -5.170 183 HB3 ASN 21 1HB ASN 21 8.022 -0.676 -4.528 184 HD21 ASN 21 1HD2 ASN 21 9.228 -2.692 -6.888 185 HD22 ASN 21 2HD2 ASN 21 10.778 -2.022 -7.061 186 H GLU 22 H GLU 22 7.844 -0.267 -1.929 187 HA GLU 22 HA GLU 22 10.347 1.122 -1.408 188 HB2 GLU 22 2HB GLU 22 7.551 1.428 -0.272 189 HB3 GLU 22 1HB GLU 22 8.843 2.624 -0.143 190 HG2 GLU 22 2HG GLU 22 8.149 1.631 -2.872 191 HG3 GLU 22 1HG GLU 22 7.021 2.743 -2.096 192 H LEU 23 H LEU 23 8.307 -1.180 0.293 193 HA LEU 23 HA LEU 23 9.544 -0.825 2.897 194 HB2 LEU 23 2HB LEU 23 7.795 -2.862 1.516 195 HB3 LEU 23 1HB LEU 23 8.433 -3.188 3.127 196 HG LEU 23 HG LEU 23 6.785 -0.772 2.335 197 HD11 LEU 23 1HD1 LEU 23 5.673 -3.100 2.567 198 HD12 LEU 23 2HD1 LEU 23 4.983 -1.769 3.496 199 HD13 LEU 23 3HD1 LEU 23 6.030 -2.946 4.286 200 HD21 LEU 23 3HD2 LEU 23 7.029 -1.248 5.167 201 HD22 LEU 23 1HD2 LEU 23 7.490 0.185 4.250 202 HD23 LEU 23 2HD2 LEU 23 8.636 -1.140 4.453 203 H GLN 24 H GLN 24 10.158 -2.817 0.049 204 HA GLN 24 HA GLN 24 12.200 -4.464 1.347 205 HB2 GLN 24 2HB GLN 24 10.888 -5.341 -0.491 206 HB3 GLN 24 1HB GLN 24 11.316 -3.969 -1.514 207 HG2 GLN 24 2HG GLN 24 13.109 -5.112 -2.245 208 HG3 GLN 24 1HG GLN 24 13.753 -5.101 -0.603 209 HE21 GLN 24 1HE2 GLN 24 14.522 -7.354 -1.652 210 HE22 GLN 24 2HE2 GLN 24 13.505 -8.673 -1.320 211 H LYS 25 H LYS 25 12.141 -1.688 -0.905 212 HA LYS 25 HA LYS 25 15.003 -1.482 -1.193 213 HB2 LYS 25 2HB LYS 25 14.314 0.090 -2.688 214 HB3 LYS 25 1HB LYS 25 12.663 -0.301 -2.210 215 HG2 LYS 25 2HG LYS 25 12.671 1.432 -0.519 216 HG3 LYS 25 1HG LYS 25 14.390 1.730 -0.765 217 HD2 LYS 25 2HD LYS 25 14.021 2.635 -2.945 218 HD3 LYS 25 1HD LYS 25 12.358 2.048 -2.982 219 HE2 LYS 25 2HE LYS 25 12.213 4.396 -2.474 220 HE3 LYS 25 1HE LYS 25 11.954 3.561 -0.930 221 HZ1 LYS 25 3HZ LYS 25 14.723 4.026 -1.672 222 HZ2 LYS 25 1HZ LYS 25 13.971 4.164 -0.157 223 HZ3 LYS 25 2HZ LYS 25 13.834 5.423 -1.290 224 H ASP 26 H ASP 26 12.685 -0.194 1.121 225 HA ASP 26 HA ASP 26 14.978 0.639 2.820 226 HB2 ASP 26 2HB ASP 26 12.857 2.288 1.562 227 HB3 ASP 26 1HB ASP 26 13.172 2.640 3.262 228 H GLY 27 H GLY 27 13.907 -1.625 3.535 229 HA2 GLY 27 2HA GLY 27 11.399 -1.734 4.815 230 HA3 GLY 27 1HA GLY 27 12.781 -2.730 5.272 231 H ARG 28 H ARG 28 11.939 -2.428 7.505 232 HA ARG 28 HA ARG 28 11.867 -1.300 9.589 233 HB2 ARG 28 2HB ARG 28 14.356 0.023 8.498 234 HB3 ARG 28 1HB ARG 28 14.045 -0.523 10.144 235 HG2 ARG 28 2HG ARG 28 15.353 -2.281 9.416 236 HG3 ARG 28 1HG ARG 28 13.771 -2.877 8.911 237 HD2 ARG 28 2HD ARG 28 14.289 -2.681 6.698 238 HD3 ARG 28 1HD ARG 28 15.053 -1.097 6.937 239 HE ARG 28 HE ARG 28 16.396 -3.716 7.182 240 HH11 ARG 28 1HH1 ARG 28 16.791 -0.511 6.410 241 HH12 ARG 28 2HH1 ARG 28 18.324 -0.311 7.192 242 HH21 ARG 28 1HH2 ARG 28 18.217 -3.393 8.779 243 HH22 ARG 28 2HH2 ARG 28 19.130 -1.941 8.534 244 H ILE 29 H ILE 29 10.541 0.070 7.269 245 HA ILE 29 HA ILE 29 10.850 2.913 8.170 246 HB ILE 29 HB ILE 29 11.524 2.572 5.867 247 HG12 ILE 29 2HG1 ILE 29 8.699 3.671 5.996 248 HG13 ILE 29 1HG1 ILE 29 10.175 4.586 6.304 249 HG21 ILE 29 1HG2 ILE 29 9.872 1.581 4.239 250 HG22 ILE 29 2HG2 ILE 29 8.873 1.123 5.620 251 HG23 ILE 29 3HG2 ILE 29 10.484 0.430 5.428 252 HD11 ILE 29 3HD1 ILE 29 8.988 3.741 3.738 253 HD12 ILE 29 1HD1 ILE 29 10.728 3.484 3.860 254 HD13 ILE 29 2HD1 ILE 29 10.056 5.098 4.092 255 H SER 30 H SER 30 9.057 3.843 9.061 256 HA SER 30 HA SER 30 6.688 2.302 9.598 257 HB2 SER 30 2HB SER 30 7.503 4.100 11.039 258 HB3 SER 30 1HB SER 30 7.328 5.269 9.733 259 HG SER 30 HG SER 30 5.130 3.721 10.554 260 H ASN 31 H ASN 31 4.452 3.149 8.909 261 HA ASN 31 HA ASN 31 4.216 3.139 6.045 262 HB2 ASN 31 2HB ASN 31 2.561 3.201 8.441 263 HB3 ASN 31 1HB ASN 31 1.868 4.195 7.159 264 HD21 ASN 31 1HD2 ASN 31 1.801 3.048 4.916 265 HD22 ASN 31 2HD2 ASN 31 1.435 1.391 4.917 266 H VAL 32 H VAL 32 4.078 5.784 8.449 267 HA VAL 32 HA VAL 32 3.229 7.930 6.900 268 HB VAL 32 HB VAL 32 5.638 7.836 8.757 269 HG11 VAL 32 1HG1 VAL 32 3.803 10.057 7.832 270 HG12 VAL 32 2HG1 VAL 32 5.558 9.970 7.678 271 HG13 VAL 32 3HG1 VAL 32 4.822 10.201 9.265 272 HG21 VAL 32 3HG2 VAL 32 3.860 6.870 9.982 273 HG22 VAL 32 1HG2 VAL 32 2.662 7.937 9.249 274 HG23 VAL 32 2HG2 VAL 32 3.803 8.574 10.434 275 H GLU 33 H GLU 33 6.677 6.978 7.202 276 HA GLU 33 HA GLU 33 7.584 8.520 4.961 277 HB2 GLU 33 2HB GLU 33 8.621 6.854 6.974 278 HB3 GLU 33 1HB GLU 33 9.046 6.042 5.466 279 HG2 GLU 33 2HG GLU 33 10.760 7.495 5.286 280 HG3 GLU 33 1HG GLU 33 9.557 8.746 4.968 281 H LEU 34 H LEU 34 6.256 5.272 5.315 282 HA LEU 34 HA LEU 34 6.806 4.339 2.653 283 HB2 LEU 34 2HB LEU 34 5.833 3.340 5.025 284 HB3 LEU 34 1HB LEU 34 4.386 3.368 4.017 285 HG LEU 34 HG LEU 34 7.021 2.017 3.375 286 HD11 LEU 34 1HD1 LEU 34 5.777 0.613 4.814 287 HD12 LEU 34 2HD1 LEU 34 5.364 0.037 3.200 288 HD13 LEU 34 3HD1 LEU 34 4.242 1.074 4.079 289 HD21 LEU 34 3HD2 LEU 34 4.513 2.053 1.680 290 HD22 LEU 34 1HD2 LEU 34 6.107 1.441 1.239 291 HD23 LEU 34 2HD2 LEU 34 5.848 3.176 1.421 292 H SER 35 H SER 35 4.478 6.511 3.999 293 HA SER 35 HA SER 35 2.578 6.260 1.772 294 HB2 SER 35 2HB SER 35 1.230 7.597 3.120 295 HB3 SER 35 1HB SER 35 2.218 6.754 4.314 296 HG SER 35 HG SER 35 2.030 9.147 4.460 297 H LYS 36 H LYS 36 5.284 8.264 2.698 298 HA LYS 36 HA LYS 36 4.625 10.486 0.922 299 HB2 LYS 36 2HB LYS 36 7.205 9.663 2.297 300 HB3 LYS 36 1HB LYS 36 6.850 11.260 1.641 301 HG2 LYS 36 2HG LYS 36 4.705 11.008 3.225 302 HG3 LYS 36 1HG LYS 36 5.805 9.949 4.109 303 HD2 LYS 36 2HD LYS 36 6.681 12.694 3.217 304 HD3 LYS 36 1HD LYS 36 5.796 12.469 4.726 305 HE2 LYS 36 2HE LYS 36 7.614 11.587 5.777 306 HE3 LYS 36 1HE LYS 36 8.014 10.561 4.385 307 HZ1 LYS 36 3HZ LYS 36 9.491 12.633 5.001 308 HZ2 LYS 36 1HZ LYS 36 8.312 13.462 4.104 309 HZ3 LYS 36 2HZ LYS 36 9.205 12.210 3.380 310 H ARG 37 H ARG 37 6.632 7.563 0.716 311 HA ARG 37 HA ARG 37 7.860 8.380 -1.811 312 HB2 ARG 37 2HB ARG 37 8.907 6.178 -1.657 313 HB3 ARG 37 1HB ARG 37 8.942 6.957 -0.075 314 HG2 ARG 37 2HG ARG 37 6.560 5.696 0.098 315 HG3 ARG 37 1HG ARG 37 7.406 4.587 -0.984 316 HD2 ARG 37 2HD ARG 37 8.274 5.481 1.781 317 HD3 ARG 37 1HD ARG 37 7.908 3.832 1.239 318 HE ARG 37 HE ARG 37 9.870 4.358 -0.466 319 HH11 ARG 37 1HH1 ARG 37 10.544 6.862 1.130 320 HH12 ARG 37 2HH1 ARG 37 11.819 6.281 2.147 321 HH21 ARG 37 1HH2 ARG 37 11.103 2.936 1.582 322 HH22 ARG 37 2HH2 ARG 37 12.136 4.058 2.404 323 H VAL 38 H VAL 38 4.913 6.867 -0.900 324 HA VAL 38 HA VAL 38 4.566 5.588 -3.569 325 HB VAL 38 HB VAL 38 2.647 5.629 -1.225 326 HG11 VAL 38 1HG1 VAL 38 1.449 4.357 -2.642 327 HG12 VAL 38 2HG1 VAL 38 2.725 3.142 -2.549 328 HG13 VAL 38 3HG1 VAL 38 2.759 4.362 -3.822 329 HG21 VAL 38 3HG2 VAL 38 3.772 3.823 -0.215 330 HG22 VAL 38 1HG2 VAL 38 5.093 4.888 -0.694 331 HG23 VAL 38 2HG2 VAL 38 4.707 3.471 -1.669 332 H GLY 39 H GLY 39 4.350 8.636 -2.607 333 HA2 GLY 39 2HA GLY 39 2.998 10.476 -3.174 334 HA3 GLY 39 1HA GLY 39 2.597 9.540 -4.616 335 H LEU 40 H LEU 40 1.915 8.137 -1.542 336 HA LEU 40 HA LEU 40 -0.994 8.790 -1.865 337 HB2 LEU 40 2HB LEU 40 -0.691 6.546 -2.604 338 HB3 LEU 40 1HB LEU 40 0.490 6.211 -1.338 339 HG LEU 40 HG LEU 40 -1.364 6.581 0.338 340 HD11 LEU 40 1HD1 LEU 40 -2.780 7.126 -2.165 341 HD12 LEU 40 2HD1 LEU 40 -3.225 7.550 -0.512 342 HD13 LEU 40 3HD1 LEU 40 -3.613 5.951 -1.146 343 HD21 LEU 40 3HD2 LEU 40 -1.771 4.347 -1.659 344 HD22 LEU 40 1HD2 LEU 40 -2.308 4.345 0.021 345 HD23 LEU 40 2HD2 LEU 40 -0.584 4.334 -0.356 346 H SER 41 H SER 41 -1.945 9.524 0.031 347 HA SER 41 HA SER 41 -0.545 10.221 2.360 348 HB2 SER 41 2HB SER 41 -3.241 9.204 2.857 349 HB3 SER 41 1HB SER 41 -2.641 10.854 2.978 350 HG SER 41 HG SER 41 -3.918 9.565 0.901 351 HA PRO 42 HA PRO 42 0.311 6.447 4.255 352 HB2 PRO 42 2HB PRO 42 0.106 7.069 6.913 353 HB3 PRO 42 1HB PRO 42 1.437 7.630 5.883 354 HG2 PRO 42 2HG PRO 42 -0.975 9.094 6.819 355 HG3 PRO 42 1HG PRO 42 0.677 9.678 6.573 356 HD2 PRO 42 2HD PRO 42 -1.402 10.092 4.811 357 HD3 PRO 42 1HD PRO 42 0.318 10.127 4.364 358 H THR 43 H THR 43 -2.540 8.043 5.737 359 HA THR 43 HA THR 43 -3.844 5.981 6.996 360 HB THR 43 HB THR 43 -5.617 7.311 5.097 361 HG1 THR 43 1HG THR 43 -4.976 9.354 5.407 362 HG21 THR 43 3HG2 THR 43 -5.264 7.959 8.012 363 HG22 THR 43 1HG2 THR 43 -5.963 6.418 7.516 364 HG23 THR 43 2HG2 THR 43 -6.746 7.931 7.058 365 HA PRO 44 HA PRO 44 -5.270 4.066 2.866 366 HB2 PRO 44 2HB PRO 44 -4.242 5.098 0.538 367 HB3 PRO 44 1HB PRO 44 -5.735 5.705 1.284 368 HG2 PRO 44 2HG PRO 44 -2.995 6.853 1.325 369 HG3 PRO 44 1HG PRO 44 -4.562 7.673 1.270 370 HD2 PRO 44 2HD PRO 44 -3.022 7.406 3.540 371 HD3 PRO 44 1HD PRO 44 -4.775 7.674 3.542 372 H CYS 45 H CYS 45 -1.969 5.434 2.390 373 HA CYS 45 HA CYS 45 -0.677 3.297 1.176 374 HB2 CYS 45 2HB CYS 45 0.227 5.544 2.041 375 HB3 CYS 45 1HB CYS 45 0.407 4.745 3.601 376 HG CYS 45 HG CYS 45 1.877 2.916 2.091 377 H LEU 46 H LEU 46 -1.677 3.628 4.540 378 HA LEU 46 HA LEU 46 -0.576 1.090 5.412 379 HB2 LEU 46 2HB LEU 46 -2.755 2.952 6.406 380 HB3 LEU 46 1HB LEU 46 -2.170 1.557 7.315 381 HG LEU 46 HG LEU 46 0.029 3.180 6.346 382 HD11 LEU 46 1HD1 LEU 46 -0.552 5.267 6.965 383 HD12 LEU 46 2HD1 LEU 46 -1.186 4.694 8.508 384 HD13 LEU 46 3HD1 LEU 46 -2.214 4.687 7.077 385 HD21 LEU 46 3HD2 LEU 46 0.667 3.056 8.730 386 HD22 LEU 46 1HD2 LEU 46 0.169 1.476 8.128 387 HD23 LEU 46 2HD2 LEU 46 -0.932 2.427 9.125 388 H GLU 47 H GLU 47 -3.778 2.264 4.386 389 HA GLU 47 HA GLU 47 -5.285 -0.088 4.606 390 HB2 GLU 47 2HB GLU 47 -5.206 2.176 2.604 391 HB3 GLU 47 1HB GLU 47 -6.434 0.915 2.515 392 HG2 GLU 47 2HG GLU 47 -7.013 1.417 4.916 393 HG3 GLU 47 1HG GLU 47 -5.922 2.800 4.828 394 H ARG 48 H ARG 48 -3.171 0.957 1.920 395 HA ARG 48 HA ARG 48 -3.531 -1.431 0.344 396 HB2 ARG 48 2HB ARG 48 -1.614 0.890 0.439 397 HB3 ARG 48 1HB ARG 48 -1.326 -0.447 -0.678 398 HG2 ARG 48 2HG ARG 48 -2.641 0.913 -2.010 399 HG3 ARG 48 1HG ARG 48 -3.892 -0.066 -1.249 400 HD2 ARG 48 2HD ARG 48 -4.576 1.663 0.159 401 HD3 ARG 48 1HD ARG 48 -2.993 2.463 0.106 402 HE ARG 48 HE ARG 48 -3.551 2.924 -2.362 403 HH11 ARG 48 1HH1 ARG 48 -5.550 3.425 0.305 404 HH12 ARG 48 2HH1 ARG 48 -6.946 3.878 -0.614 405 HH21 ARG 48 1HH2 ARG 48 -5.526 3.072 -3.672 406 HH22 ARG 48 2HH2 ARG 48 -6.933 3.680 -2.864 407 H VAL 49 H VAL 49 -1.204 -0.406 2.802 408 HA VAL 49 HA VAL 49 0.562 -2.682 2.503 409 HB VAL 49 HB VAL 49 0.484 -0.208 3.827 410 HG11 VAL 49 1HG1 VAL 49 -0.628 -1.163 5.764 411 HG12 VAL 49 2HG1 VAL 49 1.056 -0.869 6.186 412 HG13 VAL 49 3HG1 VAL 49 0.514 -2.505 5.816 413 HG21 VAL 49 3HG2 VAL 49 2.639 -1.944 4.755 414 HG22 VAL 49 1HG2 VAL 49 2.715 -0.547 3.681 415 HG23 VAL 49 2HG2 VAL 49 2.347 -2.143 3.026 416 H ARG 50 H ARG 50 -2.030 -1.879 4.845 417 HA ARG 50 HA ARG 50 -1.953 -4.120 6.496 418 HB2 ARG 50 2HB ARG 50 -4.442 -2.845 5.330 419 HB3 ARG 50 1HB ARG 50 -4.289 -3.617 6.909 420 HG2 ARG 50 2HG ARG 50 -2.277 -1.560 6.606 421 HG3 ARG 50 1HG ARG 50 -3.881 -0.892 6.305 422 HD2 ARG 50 2HD ARG 50 -3.057 -2.490 8.756 423 HD3 ARG 50 1HD ARG 50 -3.371 -0.744 8.700 424 HE ARG 50 HE ARG 50 -5.542 -2.477 7.699 425 HH11 ARG 50 1HH2 ARG 50 -4.766 -2.574 10.756 426 HH12 ARG 50 2HH2 ARG 50 -5.990 -1.524 11.387 427 HH21 ARG 50 1HH1 ARG 50 -6.881 -0.264 8.282 428 HH22 ARG 50 2HH1 ARG 50 -7.187 -0.215 9.986 429 H ARG 51 H ARG 51 -3.639 -3.792 3.389 430 HA ARG 51 HA ARG 51 -4.705 -6.399 3.170 431 HB2 ARG 51 2HB ARG 51 -5.337 -4.837 1.526 432 HB3 ARG 51 1HB ARG 51 -3.676 -4.298 1.269 433 HG2 ARG 51 2HG ARG 51 -4.636 -5.733 -0.595 434 HG3 ARG 51 1HG ARG 51 -3.118 -6.316 0.088 435 HD2 ARG 51 2HD ARG 51 -4.560 -8.239 -0.054 436 HD3 ARG 51 1HD ARG 51 -4.567 -7.764 1.655 437 HE ARG 51 HE ARG 51 -6.641 -6.308 0.821 438 HH11 ARG 51 1HH1 ARG 51 -5.985 -8.681 -1.368 439 HH12 ARG 51 2HH1 ARG 51 -7.459 -9.568 -1.161 440 HH21 ARG 51 1HH2 ARG 51 -8.440 -7.790 1.651 441 HH22 ARG 51 2HH2 ARG 51 -8.849 -9.062 0.549 442 H LEU 52 H LEU 52 -1.491 -5.155 2.226 443 HA LEU 52 HA LEU 52 -0.454 -7.686 1.317 444 HB2 LEU 52 2HB LEU 52 0.850 -5.158 2.372 445 HB3 LEU 52 1HB LEU 52 1.712 -6.447 1.530 446 HG LEU 52 HG LEU 52 -0.671 -5.011 0.339 447 HD11 LEU 52 1HD1 LEU 52 0.670 -3.238 -0.012 448 HD12 LEU 52 2HD1 LEU 52 1.698 -4.272 -1.002 449 HD13 LEU 52 3HD1 LEU 52 2.040 -4.076 0.716 450 HD21 LEU 52 3HD2 LEU 52 0.890 -7.309 -0.378 451 HD22 LEU 52 1HD2 LEU 52 1.192 -6.036 -1.560 452 HD23 LEU 52 2HD2 LEU 52 -0.456 -6.585 -1.258 453 H GLU 53 H GLU 53 -1.057 -6.384 4.444 454 HA GLU 53 HA GLU 53 0.985 -7.781 5.939 455 HB2 GLU 53 2HB GLU 53 -0.828 -5.805 6.394 456 HB3 GLU 53 1HB GLU 53 -1.653 -7.161 7.162 457 HG2 GLU 53 2HG GLU 53 1.182 -7.126 7.823 458 HG3 GLU 53 1HG GLU 53 0.390 -5.619 8.285 459 H ARG 54 H ARG 54 -2.538 -8.407 5.688 460 HA ARG 54 HA ARG 54 -2.314 -11.065 6.834 461 HB2 ARG 54 2HB ARG 54 -4.468 -9.568 5.309 462 HB3 ARG 54 1HB ARG 54 -4.729 -11.132 6.081 463 HG2 ARG 54 2HG ARG 54 -4.019 -10.139 8.255 464 HG3 ARG 54 1HG ARG 54 -3.876 -8.571 7.461 465 HD2 ARG 54 2HD ARG 54 -6.228 -8.469 7.019 466 HD3 ARG 54 1HD ARG 54 -6.447 -10.181 7.432 467 HE ARG 54 HE ARG 54 -5.871 -9.593 9.779 468 HH11 ARG 54 1HH2 ARG 54 -4.520 -6.995 9.388 469 HH12 ARG 54 2HH2 ARG 54 -5.754 -5.851 9.803 470 HH21 ARG 54 1HH1 ARG 54 -8.342 -8.146 9.534 471 HH22 ARG 54 2HH1 ARG 54 -7.919 -6.504 9.886 472 H GLN 55 H GLN 55 -2.043 -9.761 3.613 473 HA GLN 55 HA GLN 55 -1.560 -12.502 2.563 474 HB2 GLN 55 2HB GLN 55 -3.152 -11.048 0.662 475 HB3 GLN 55 1HB GLN 55 -3.551 -12.556 1.481 476 HG2 GLN 55 2HG GLN 55 -4.384 -11.268 3.429 477 HG3 GLN 55 1HG GLN 55 -4.010 -9.766 2.584 478 HE21 GLN 55 1HE2 GLN 55 -6.691 -11.026 3.432 479 HE22 GLN 55 2HE2 GLN 55 -7.614 -11.021 2.008 480 H GLY 56 H GLY 56 0.472 -10.732 2.960 481 HA2 GLY 56 2HA GLY 56 1.379 -10.214 0.233 482 HA3 GLY 56 1HA GLY 56 1.110 -8.742 1.166 483 H PHE 57 H PHE 57 2.987 -8.005 2.010 484 HA PHE 57 HA PHE 57 4.798 -9.927 3.382 485 HB2 PHE 57 2HB PHE 57 5.427 -8.124 1.035 486 HB3 PHE 57 1HB PHE 57 6.694 -8.735 2.101 487 HD1 PHE 57 2HD PHE 57 3.975 -9.734 -0.226 488 HD2 PHE 57 1HD PHE 57 7.426 -11.012 1.991 489 HE1 PHE 57 2HE PHE 57 3.969 -11.889 -1.456 490 HE2 PHE 57 1HE PHE 57 7.419 -13.166 0.762 491 HZ PHE 57 HZ PHE 57 5.691 -13.604 -0.962 492 H ILE 58 H ILE 58 3.723 -8.619 5.195 493 HA ILE 58 HA ILE 58 5.309 -6.129 5.679 494 HB ILE 58 HB ILE 58 2.417 -6.365 6.470 495 HG12 ILE 58 2HG1 ILE 58 2.571 -6.903 4.033 496 HG13 ILE 58 1HG1 ILE 58 1.765 -5.362 4.331 497 HG21 ILE 58 1HG2 ILE 58 3.767 -3.897 5.465 498 HG22 ILE 58 2HG2 ILE 58 4.243 -4.506 7.052 499 HG23 ILE 58 3HG2 ILE 58 2.561 -4.076 6.741 500 HD11 ILE 58 3HD1 ILE 58 4.004 -5.796 2.685 501 HD12 ILE 58 1HD1 ILE 58 4.634 -4.987 4.121 502 HD13 ILE 58 2HD1 ILE 58 3.343 -4.238 3.179 503 H GLN 59 H GLN 59 5.344 -9.012 6.678 504 HA GLN 59 HA GLN 59 4.571 -8.788 9.505 505 HB2 GLN 59 2HB GLN 59 5.702 -11.070 9.530 506 HB3 GLN 59 1HB GLN 59 4.376 -10.921 8.375 507 HG2 GLN 59 2HG GLN 59 5.755 -11.260 6.621 508 HG3 GLN 59 1HG GLN 59 6.910 -10.066 7.216 509 HE21 GLN 59 1HE2 GLN 59 8.909 -10.977 7.686 510 HE22 GLN 59 2HE2 GLN 59 9.159 -12.565 8.230 511 H GLY 60 H GLY 60 7.030 -7.498 7.733 512 HA2 GLY 60 2HA GLY 60 8.769 -7.272 10.123 513 HA3 GLY 60 1HA GLY 60 9.503 -7.880 8.637 514 H TYR 61 H TYR 61 8.063 -6.253 6.789 515 HA TYR 61 HA TYR 61 9.642 -3.906 6.669 516 HB2 TYR 61 2HB TYR 61 6.878 -4.477 5.559 517 HB3 TYR 61 1HB TYR 61 7.987 -3.247 4.951 518 HD1 TYR 61 1HD TYR 61 10.188 -3.935 3.956 519 HD2 TYR 61 2HD TYR 61 7.139 -6.781 4.983 520 HE1 TYR 61 1HE TYR 61 11.302 -5.640 2.542 521 HE2 TYR 61 2HE TYR 61 8.251 -8.485 3.566 522 HH TYR 61 HH TYR 61 10.095 -8.978 2.396 523 H THR 62 H THR 62 6.458 -2.808 6.419 524 HA THR 62 HA THR 62 6.839 -1.076 8.762 525 HB THR 62 HB THR 62 5.896 -0.514 6.406 526 HG1 THR 62 1HG THR 62 5.465 0.465 8.810 527 HG21 THR 62 3HG2 THR 62 4.237 -2.307 6.310 528 HG22 THR 62 1HG2 THR 62 3.436 -0.740 6.248 529 HG23 THR 62 2HG2 THR 62 3.445 -1.667 7.749 530 H ALA 63 H ALA 63 6.200 -4.099 8.876 531 HA ALA 63 HA ALA 63 3.694 -4.803 9.717 532 HB1 ALA 63 1HB ALA 63 4.795 -6.511 10.850 533 HB2 ALA 63 2HB ALA 63 5.985 -5.415 11.552 534 HB3 ALA 63 3HB ALA 63 6.125 -5.907 9.865 535 H LEU 64 H LEU 64 5.903 -2.579 11.306 536 HA LEU 64 HA LEU 64 4.799 -2.354 13.884 537 HB2 LEU 64 2HB LEU 64 5.699 0.006 13.678 538 HB3 LEU 64 1HB LEU 64 6.843 -1.242 13.194 539 HG LEU 64 HG LEU 64 5.561 -0.787 10.825 540 HD11 LEU 64 1HD1 LEU 64 5.032 1.487 10.540 541 HD12 LEU 64 2HD1 LEU 64 5.914 1.972 11.989 542 HD13 LEU 64 3HD1 LEU 64 4.370 1.130 12.135 543 HD21 LEU 64 3HD2 LEU 64 8.086 -0.668 11.680 544 HD22 LEU 64 1HD2 LEU 64 7.794 1.068 11.563 545 HD23 LEU 64 2HD2 LEU 64 7.611 0.045 10.138 546 H LEU 65 H LEU 65 3.706 -1.033 10.830 547 HA LEU 65 HA LEU 65 1.738 0.773 11.849 548 HB2 LEU 65 2HB LEU 65 1.292 1.088 9.591 549 HB3 LEU 65 1HB LEU 65 2.863 0.302 9.463 550 HG LEU 65 HG LEU 65 1.465 -0.845 7.917 551 HD11 LEU 65 1HD1 LEU 65 2.288 -2.794 8.662 552 HD12 LEU 65 2HD1 LEU 65 0.869 -2.956 9.696 553 HD13 LEU 65 3HD1 LEU 65 2.325 -2.189 10.312 554 HD21 LEU 65 3HD2 LEU 65 -0.613 0.035 9.525 555 HD22 LEU 65 1HD2 LEU 65 -0.658 -1.715 9.734 556 HD23 LEU 65 2HD2 LEU 65 -0.780 -1.017 8.118 557 H ASN 66 H ASN 66 1.829 -2.581 12.041 558 HA ASN 66 HA ASN 66 -0.880 -3.340 11.537 559 HB2 ASN 66 2HB ASN 66 -0.224 -5.352 12.614 560 HB3 ASN 66 1HB ASN 66 1.286 -4.713 11.964 561 HD21 ASN 66 1HD2 ASN 66 2.713 -3.511 13.534 562 HD22 ASN 66 2HD2 ASN 66 2.619 -3.882 15.187 Start of MODEL 18 1 H1 MET 1 1HT MET 1 19.198 -12.630 -13.930 2 H2 MET 1 2HT MET 1 19.561 -11.377 -15.017 3 H3 MET 1 3HT MET 1 17.948 -11.850 -14.771 4 HA MET 1 HA MET 1 19.721 -10.509 -12.792 5 HB2 MET 1 2HB MET 1 18.444 -9.458 -14.912 6 HB3 MET 1 1HB MET 1 17.093 -9.491 -13.779 7 HG2 MET 1 2HG MET 1 17.911 -7.547 -12.965 8 HG3 MET 1 1HG MET 1 19.196 -8.518 -12.245 9 HE1 MET 1 2HE MET 1 18.582 -5.696 -13.287 10 HE2 MET 1 3HE MET 1 19.460 -5.122 -14.704 11 HE3 MET 1 1HE MET 1 20.300 -5.323 -13.161 12 H VAL 2 H VAL 2 18.462 -9.928 -10.803 13 HA VAL 2 HA VAL 2 16.521 -12.099 -10.110 14 HB VAL 2 HB VAL 2 17.332 -11.795 -7.857 15 HG11 VAL 2 1HG1 VAL 2 19.644 -11.512 -9.803 16 HG12 VAL 2 2HG1 VAL 2 18.844 -13.025 -9.374 17 HG13 VAL 2 3HG1 VAL 2 19.759 -12.134 -8.156 18 HG21 VAL 2 3HG2 VAL 2 18.786 -9.352 -8.923 19 HG22 VAL 2 1HG2 VAL 2 18.869 -9.960 -7.270 20 HG23 VAL 2 2HG2 VAL 2 17.352 -9.317 -7.897 21 H ASP 3 H ASP 3 14.531 -11.528 -9.130 22 HA ASP 3 HA ASP 3 13.872 -8.845 -8.278 23 HB2 ASP 3 2HB ASP 3 13.916 -9.388 -11.072 24 HB3 ASP 3 1HB ASP 3 12.221 -9.238 -10.605 25 H SER 4 H SER 4 12.616 -9.623 -6.592 26 HA SER 4 HA SER 4 10.386 -11.508 -7.299 27 HB2 SER 4 2HB SER 4 10.716 -12.482 -5.109 28 HB3 SER 4 1HB SER 4 12.302 -12.365 -5.869 29 HG SER 4 HG SER 4 12.873 -10.909 -4.451 30 H LYS 5 H LYS 5 10.144 -8.639 -7.469 31 HA LYS 5 HA LYS 5 8.559 -7.952 -5.026 32 HB2 LYS 5 2HB LYS 5 10.017 -6.435 -7.182 33 HB3 LYS 5 1HB LYS 5 8.766 -5.628 -6.236 34 HG2 LYS 5 2HG LYS 5 10.561 -7.166 -4.534 35 HG3 LYS 5 1HG LYS 5 11.439 -5.968 -5.489 36 HD2 LYS 5 2HD LYS 5 10.778 -4.801 -3.526 37 HD3 LYS 5 1HD LYS 5 9.615 -4.304 -4.757 38 HE2 LYS 5 2HE LYS 5 8.114 -4.882 -3.092 39 HE3 LYS 5 1HE LYS 5 8.337 -6.494 -3.799 40 HZ1 LYS 5 3HZ LYS 5 9.605 -5.330 -1.405 41 HZ2 LYS 5 1HZ LYS 5 10.400 -6.553 -2.270 42 HZ3 LYS 5 2HZ LYS 5 8.872 -6.850 -1.590 43 H LYS 6 H LYS 6 7.729 -9.638 -7.478 44 HA LYS 6 HA LYS 6 5.624 -7.964 -8.709 45 HB2 LYS 6 2HB LYS 6 6.439 -10.872 -9.010 46 HB3 LYS 6 1HB LYS 6 5.279 -10.036 -10.045 47 HG2 LYS 6 2HG LYS 6 7.122 -8.347 -10.536 48 HG3 LYS 6 1HG LYS 6 8.235 -9.464 -9.744 49 HD2 LYS 6 2HD LYS 6 8.314 -9.946 -12.103 50 HD3 LYS 6 1HD LYS 6 7.413 -11.255 -11.338 51 HE2 LYS 6 2HE LYS 6 5.339 -10.468 -12.149 52 HE3 LYS 6 1HE LYS 6 5.979 -8.842 -12.456 53 HZ1 LYS 6 3HZ LYS 6 5.777 -10.518 -14.412 54 HZ2 LYS 6 1HZ LYS 6 7.209 -11.168 -13.775 55 HZ3 LYS 6 2HZ LYS 6 7.164 -9.547 -14.283 56 H ARG 7 H ARG 7 5.968 -9.977 -5.989 57 HA ARG 7 HA ARG 7 4.372 -11.046 -4.583 58 HB2 ARG 7 2HB ARG 7 2.528 -8.836 -5.462 59 HB3 ARG 7 1HB ARG 7 2.885 -9.398 -3.830 60 HG2 ARG 7 2HG ARG 7 4.707 -7.771 -5.624 61 HG3 ARG 7 1HG ARG 7 3.935 -7.232 -4.133 62 HD2 ARG 7 2HD ARG 7 5.884 -9.558 -4.243 63 HD3 ARG 7 1HD ARG 7 6.356 -7.900 -3.830 64 HE ARG 7 HE ARG 7 4.181 -8.368 -2.192 65 HH11 ARG 7 1HH1 ARG 7 6.539 -10.680 -3.004 66 HH12 ARG 7 2HH1 ARG 7 6.941 -11.074 -1.366 67 HH21 ARG 7 1HH2 ARG 7 4.949 -8.591 0.004 68 HH22 ARG 7 2HH2 ARG 7 6.039 -9.895 0.334 69 HA PRO 8 HA PRO 8 1.123 -13.067 -6.834 70 HB2 PRO 8 2HB PRO 8 -1.357 -12.350 -5.921 71 HB3 PRO 8 1HB PRO 8 -0.240 -13.370 -4.995 72 HG2 PRO 8 2HG PRO 8 -0.924 -10.513 -4.644 73 HG3 PRO 8 1HG PRO 8 -0.448 -11.719 -3.442 74 HD2 PRO 8 2HD PRO 8 1.198 -9.741 -4.503 75 HD3 PRO 8 1HD PRO 8 1.749 -11.186 -3.632 76 H GLY 9 H GLY 9 1.767 -10.114 -7.636 77 HA2 GLY 9 2HA GLY 9 1.012 -8.526 -9.204 78 HA3 GLY 9 1HA GLY 9 0.646 -9.979 -10.138 79 H LYS 10 H LYS 10 -1.499 -10.622 -10.355 80 HA LYS 10 HA LYS 10 -3.566 -8.679 -9.994 81 HB2 LYS 10 2HB LYS 10 -3.539 -10.504 -11.666 82 HB3 LYS 10 1HB LYS 10 -3.685 -11.691 -10.369 83 HG2 LYS 10 2HG LYS 10 -5.919 -11.429 -10.340 84 HG3 LYS 10 1HG LYS 10 -5.735 -9.697 -10.058 85 HD2 LYS 10 2HD LYS 10 -5.227 -10.691 -12.825 86 HD3 LYS 10 1HD LYS 10 -6.903 -10.653 -12.275 87 HE2 LYS 10 2HE LYS 10 -5.193 -8.234 -11.781 88 HE3 LYS 10 1HE LYS 10 -5.845 -8.504 -13.409 89 HZ1 LYS 10 3HZ LYS 10 -7.216 -7.535 -11.200 90 HZ2 LYS 10 1HZ LYS 10 -7.798 -9.108 -11.452 91 HZ3 LYS 10 2HZ LYS 10 -7.871 -7.966 -12.707 92 H ASP 11 H ASP 11 -3.204 -8.187 -7.637 93 HA ASP 11 HA ASP 11 -5.188 -9.334 -5.961 94 HB2 ASP 11 2HB ASP 11 -2.683 -10.799 -6.236 95 HB3 ASP 11 1HB ASP 11 -2.999 -10.367 -4.555 96 H LEU 12 H LEU 12 -3.846 -6.774 -6.614 97 HA LEU 12 HA LEU 12 -3.840 -5.571 -4.020 98 HB2 LEU 12 2HB LEU 12 -1.437 -5.277 -3.725 99 HB3 LEU 12 1HB LEU 12 -1.784 -6.997 -3.926 100 HG LEU 12 HG LEU 12 -1.470 -6.198 -6.516 101 HD11 LEU 12 1HD1 LEU 12 0.641 -4.735 -4.911 102 HD12 LEU 12 2HD1 LEU 12 -0.748 -3.937 -5.649 103 HD13 LEU 12 3HD1 LEU 12 0.449 -4.742 -6.664 104 HD21 LEU 12 3HD2 LEU 12 0.452 -7.543 -6.476 105 HD22 LEU 12 1HD2 LEU 12 -0.421 -8.099 -5.047 106 HD23 LEU 12 2HD2 LEU 12 0.929 -6.978 -4.875 107 H ASP 13 H ASP 13 -3.388 -3.252 -4.161 108 HA ASP 13 HA ASP 13 -3.778 -2.194 -6.895 109 HB2 ASP 13 2HB ASP 13 -4.980 -1.574 -4.650 110 HB3 ASP 13 1HB ASP 13 -3.540 -0.600 -4.348 111 H ARG 14 H ARG 14 -2.394 -0.505 -7.754 112 HA ARG 14 HA ARG 14 0.344 -0.968 -7.740 113 HB2 ARG 14 2HB ARG 14 -1.307 1.535 -8.150 114 HB3 ARG 14 1HB ARG 14 0.423 1.488 -8.491 115 HG2 ARG 14 2HG ARG 14 -0.996 -0.796 -9.639 116 HG3 ARG 14 1HG ARG 14 -1.600 0.745 -10.250 117 HD2 ARG 14 2HD ARG 14 0.793 1.412 -10.728 118 HD3 ARG 14 1HD ARG 14 1.270 -0.246 -10.312 119 HE ARG 14 HE ARG 14 -0.932 -0.201 -12.205 120 HH11 ARG 14 1HH2 ARG 14 1.339 1.563 -13.300 121 HH12 ARG 14 2HH2 ARG 14 2.206 0.410 -14.258 122 HH21 ARG 14 1HH1 ARG 14 0.675 -2.342 -12.806 123 HH22 ARG 14 2HH1 ARG 14 1.831 -1.801 -13.978 124 H ILE 15 H ILE 15 -1.552 0.764 -5.357 125 HA ILE 15 HA ILE 15 0.615 2.192 -4.095 126 HB ILE 15 HB ILE 15 -1.994 1.193 -2.926 127 HG12 ILE 15 2HG1 ILE 15 -2.557 2.297 -4.982 128 HG13 ILE 15 1HG1 ILE 15 -2.820 3.482 -3.703 129 HG21 ILE 15 1HG2 ILE 15 -1.306 3.816 -2.104 130 HG22 ILE 15 2HG2 ILE 15 0.160 2.844 -1.962 131 HG23 ILE 15 3HG2 ILE 15 -1.310 2.351 -1.123 132 HD11 ILE 15 3HD1 ILE 15 -0.175 3.901 -4.300 133 HD12 ILE 15 1HD1 ILE 15 -1.510 4.833 -4.981 134 HD13 ILE 15 2HD1 ILE 15 -0.831 3.477 -5.882 135 H ASP 16 H ASP 16 -0.762 -1.036 -3.690 136 HA ASP 16 HA ASP 16 0.690 -1.650 -1.248 137 HB2 ASP 16 2HB ASP 16 -0.407 -3.572 -3.320 138 HB3 ASP 16 1HB ASP 16 -0.287 -3.813 -1.579 139 H ARG 17 H ARG 17 1.070 -2.912 -4.595 140 HA ARG 17 HA ARG 17 3.533 -4.215 -4.219 141 HB2 ARG 17 2HB ARG 17 3.769 -3.657 -6.731 142 HB3 ARG 17 1HB ARG 17 2.329 -4.544 -6.238 143 HG2 ARG 17 2HG ARG 17 0.951 -2.637 -6.402 144 HG3 ARG 17 1HG ARG 17 2.327 -1.533 -6.354 145 HD2 ARG 17 2HD ARG 17 2.708 -3.283 -8.582 146 HD3 ARG 17 1HD ARG 17 1.058 -2.638 -8.666 147 HE ARG 17 HE ARG 17 2.074 -0.352 -8.397 148 HH11 ARG 17 1HH1 ARG 17 3.210 -2.360 -10.687 149 HH12 ARG 17 2HH1 ARG 17 4.802 -1.689 -10.811 150 HH21 ARG 17 1HH2 ARG 17 4.497 0.242 -7.946 151 HH22 ARG 17 2HH2 ARG 17 5.532 -0.216 -9.258 152 H ASN 18 H ASN 18 2.852 -0.823 -4.762 153 HA ASN 18 HA ASN 18 5.598 -0.001 -5.180 154 HB2 ASN 18 2HB ASN 18 3.464 1.229 -5.807 155 HB3 ASN 18 1HB ASN 18 3.244 1.581 -4.092 156 HD21 ASN 18 1HD2 ASN 18 3.580 3.746 -5.853 157 HD22 ASN 18 2HD2 ASN 18 5.105 4.449 -5.605 158 H ILE 19 H ILE 19 3.419 -0.113 -2.365 159 HA ILE 19 HA ILE 19 5.240 0.985 -0.459 160 HB ILE 19 HB ILE 19 2.929 -0.972 -0.317 161 HG12 ILE 19 2HG1 ILE 19 2.989 1.843 0.746 162 HG13 ILE 19 1HG1 ILE 19 2.735 1.564 -0.976 163 HG21 ILE 19 1HG2 ILE 19 4.769 0.052 1.799 164 HG22 ILE 19 2HG2 ILE 19 3.928 -1.494 1.695 165 HG23 ILE 19 3HG2 ILE 19 3.053 -0.044 2.188 166 HD11 ILE 19 3HD1 ILE 19 1.002 -0.250 0.051 167 HD12 ILE 19 1HD1 ILE 19 0.542 1.408 -0.339 168 HD13 ILE 19 2HD1 ILE 19 0.951 0.973 1.319 169 H LEU 20 H LEU 20 4.753 -2.296 -1.723 170 HA LEU 20 HA LEU 20 6.537 -3.631 0.113 171 HB2 LEU 20 2HB LEU 20 5.325 -4.151 -2.596 172 HB3 LEU 20 1HB LEU 20 6.541 -5.258 -1.959 173 HG LEU 20 HG LEU 20 4.110 -4.429 -0.366 174 HD11 LEU 20 1HD1 LEU 20 3.480 -6.919 -1.058 175 HD12 LEU 20 2HD1 LEU 20 4.450 -6.523 -2.475 176 HD13 LEU 20 3HD1 LEU 20 3.032 -5.553 -2.078 177 HD21 LEU 20 3HD2 LEU 20 6.347 -6.403 -0.093 178 HD22 LEU 20 1HD2 LEU 20 4.772 -6.824 0.579 179 HD23 LEU 20 2HD2 LEU 20 5.609 -5.374 1.134 180 H ASN 21 H ASN 21 6.955 -2.221 -3.149 181 HA ASN 21 HA ASN 21 9.695 -2.899 -3.529 182 HB2 ASN 21 2HB ASN 21 7.738 -1.649 -4.935 183 HB3 ASN 21 1HB ASN 21 8.685 -0.248 -4.437 184 HD21 ASN 21 1HD2 ASN 21 9.226 -0.088 -6.835 185 HD22 ASN 21 2HD2 ASN 21 10.485 -1.050 -7.443 186 H GLU 22 H GLU 22 8.114 -0.323 -1.712 187 HA GLU 22 HA GLU 22 10.555 1.156 -1.143 188 HB2 GLU 22 2HB GLU 22 7.806 1.094 0.144 189 HB3 GLU 22 1HB GLU 22 9.027 2.333 0.435 190 HG2 GLU 22 2HG GLU 22 8.006 1.688 -2.337 191 HG3 GLU 22 1HG GLU 22 7.249 2.906 -1.311 192 H LEU 23 H LEU 23 8.518 -1.150 0.678 193 HA LEU 23 HA LEU 23 9.988 -1.163 3.107 194 HB2 LEU 23 2HB LEU 23 8.122 -2.932 1.607 195 HB3 LEU 23 1HB LEU 23 9.069 -3.713 2.873 196 HG LEU 23 HG LEU 23 7.021 -2.932 3.883 197 HD11 LEU 23 1HD1 LEU 23 8.894 -0.734 4.669 198 HD12 LEU 23 2HD1 LEU 23 9.413 -2.402 4.912 199 HD13 LEU 23 3HD1 LEU 23 7.943 -1.813 5.690 200 HD21 LEU 23 3HD2 LEU 23 7.640 -0.480 2.283 201 HD22 LEU 23 1HD2 LEU 23 6.765 -0.285 3.801 202 HD23 LEU 23 2HD2 LEU 23 6.097 -1.301 2.524 203 H GLN 24 H GLN 24 10.396 -3.126 0.151 204 HA GLN 24 HA GLN 24 12.633 -4.660 1.132 205 HB2 GLN 24 2HB GLN 24 11.341 -5.459 -0.722 206 HB3 GLN 24 1HB GLN 24 11.527 -3.936 -1.593 207 HG2 GLN 24 2HG GLN 24 13.021 -5.682 -2.512 208 HG3 GLN 24 1HG GLN 24 13.945 -4.349 -1.817 209 HE21 GLN 24 1HE2 GLN 24 15.772 -5.875 -1.463 210 HE22 GLN 24 2HE2 GLN 24 15.724 -6.970 -0.167 211 H LYS 25 H LYS 25 12.358 -1.641 -0.755 212 HA LYS 25 HA LYS 25 15.194 -1.310 -1.182 213 HB2 LYS 25 2HB LYS 25 12.674 0.266 -1.408 214 HB3 LYS 25 1HB LYS 25 14.179 1.185 -1.354 215 HG2 LYS 25 2HG LYS 25 15.068 -0.094 -3.238 216 HG3 LYS 25 1HG LYS 25 13.622 -1.105 -3.262 217 HD2 LYS 25 2HD LYS 25 13.628 0.768 -4.968 218 HD3 LYS 25 1HD LYS 25 12.235 0.762 -3.887 219 HE2 LYS 25 2HE LYS 25 13.048 2.597 -2.631 220 HE3 LYS 25 1HE LYS 25 14.704 2.382 -3.232 221 HZ1 LYS 25 3HZ LYS 25 13.068 4.134 -4.312 222 HZ2 LYS 25 1HZ LYS 25 12.575 2.776 -5.200 223 HZ3 LYS 25 2HZ LYS 25 14.197 3.277 -5.248 224 H ASP 26 H ASP 26 13.112 -0.775 1.525 225 HA ASP 26 HA ASP 26 15.438 0.242 3.052 226 HB2 ASP 26 2HB ASP 26 12.719 1.590 2.993 227 HB3 ASP 26 1HB ASP 26 14.151 2.155 3.855 228 H GLY 27 H GLY 27 15.141 -2.026 3.904 229 HA2 GLY 27 2HA GLY 27 12.741 -2.810 5.277 230 HA3 GLY 27 1HA GLY 27 14.328 -3.547 5.499 231 H ARG 28 H ARG 28 12.861 -0.353 6.209 232 HA ARG 28 HA ARG 28 13.078 -0.611 9.059 233 HB2 ARG 28 2HB ARG 28 15.118 0.610 9.458 234 HB3 ARG 28 1HB ARG 28 15.505 -0.631 8.267 235 HG2 ARG 28 2HG ARG 28 14.594 2.044 7.274 236 HG3 ARG 28 1HG ARG 28 16.239 1.896 7.887 237 HD2 ARG 28 2HD ARG 28 16.066 -0.340 6.305 238 HD3 ARG 28 1HD ARG 28 15.066 0.815 5.402 239 HE ARG 28 HE ARG 28 17.186 2.380 6.021 240 HH11 ARG 28 1HH1 ARG 28 18.253 -0.647 6.275 241 HH12 ARG 28 2HH1 ARG 28 19.208 -0.691 4.831 242 HH21 ARG 28 1HH2 ARG 28 17.887 2.247 3.548 243 HH22 ARG 28 2HH2 ARG 28 19.000 0.946 3.286 244 H ILE 29 H ILE 29 11.348 0.514 6.908 245 HA ILE 29 HA ILE 29 11.234 3.362 7.847 246 HB ILE 29 HB ILE 29 11.909 3.165 5.512 247 HG12 ILE 29 2HG1 ILE 29 8.970 3.886 5.765 248 HG13 ILE 29 1HG1 ILE 29 10.330 4.976 6.040 249 HG21 ILE 29 1HG2 ILE 29 10.129 0.921 5.597 250 HG22 ILE 29 2HG2 ILE 29 11.232 1.390 4.304 251 HG23 ILE 29 3HG2 ILE 29 9.583 2.015 4.327 252 HD11 ILE 29 3HD1 ILE 29 9.948 3.530 3.414 253 HD12 ILE 29 1HD1 ILE 29 10.967 4.929 3.748 254 HD13 ILE 29 2HD1 ILE 29 9.212 5.101 3.731 255 H SER 30 H SER 30 9.171 4.175 8.364 256 HA SER 30 HA SER 30 7.136 2.139 8.989 257 HB2 SER 30 2HB SER 30 6.302 3.806 10.420 258 HB3 SER 30 1HB SER 30 8.021 4.192 10.376 259 HG SER 30 HG SER 30 5.863 5.577 9.396 260 H ASN 31 H ASN 31 4.777 3.528 8.671 261 HA ASN 31 HA ASN 31 4.339 3.371 5.776 262 HB2 ASN 31 2HB ASN 31 2.726 3.873 8.271 263 HB3 ASN 31 1HB ASN 31 2.000 4.168 6.690 264 HD21 ASN 31 1HD2 ASN 31 3.512 1.622 8.696 265 HD22 ASN 31 2HD2 ASN 31 2.836 0.321 7.840 266 H VAL 32 H VAL 32 4.049 5.996 8.221 267 HA VAL 32 HA VAL 32 3.269 8.146 6.684 268 HB VAL 32 HB VAL 32 5.423 7.828 8.785 269 HG11 VAL 32 1HG1 VAL 32 6.250 9.845 8.180 270 HG12 VAL 32 2HG1 VAL 32 4.724 10.525 8.746 271 HG13 VAL 32 3HG1 VAL 32 4.931 10.120 7.042 272 HG21 VAL 32 3HG2 VAL 32 2.603 7.982 8.808 273 HG22 VAL 32 1HG2 VAL 32 3.175 9.536 9.416 274 HG23 VAL 32 2HG2 VAL 32 3.683 8.041 10.201 275 H GLU 33 H GLU 33 6.715 7.159 7.003 276 HA GLU 33 HA GLU 33 7.677 8.820 4.877 277 HB2 GLU 33 2HB GLU 33 8.786 7.314 6.808 278 HB3 GLU 33 1HB GLU 33 8.911 6.163 5.480 279 HG2 GLU 33 2HG GLU 33 10.659 7.290 4.619 280 HG3 GLU 33 1HG GLU 33 9.702 8.770 4.551 281 H LEU 34 H LEU 34 6.276 5.584 4.997 282 HA LEU 34 HA LEU 34 6.831 4.809 2.285 283 HB2 LEU 34 2HB LEU 34 5.707 3.751 4.599 284 HB3 LEU 34 1HB LEU 34 4.353 3.816 3.473 285 HG LEU 34 HG LEU 34 5.599 1.674 3.318 286 HD11 LEU 34 1HD1 LEU 34 5.088 3.549 1.145 287 HD12 LEU 34 2HD1 LEU 34 4.762 1.817 1.224 288 HD13 LEU 34 3HD1 LEU 34 6.354 2.394 0.730 289 HD21 LEU 34 3HD2 LEU 34 7.895 2.607 1.884 290 HD22 LEU 34 1HD2 LEU 34 7.847 1.674 3.380 291 HD23 LEU 34 2HD2 LEU 34 7.837 3.437 3.439 292 H SER 35 H SER 35 3.808 5.951 3.803 293 HA SER 35 HA SER 35 2.100 6.288 1.705 294 HB2 SER 35 2HB SER 35 1.027 7.769 3.110 295 HB3 SER 35 1HB SER 35 2.158 7.042 4.254 296 HG SER 35 HG SER 35 1.981 9.590 3.421 297 H LYS 36 H LYS 36 4.741 8.539 2.544 298 HA LYS 36 HA LYS 36 4.221 10.267 0.241 299 HB2 LYS 36 2HB LYS 36 6.412 10.023 2.323 300 HB3 LYS 36 1HB LYS 36 6.392 11.290 1.097 301 HG2 LYS 36 2HG LYS 36 4.115 11.960 1.901 302 HG3 LYS 36 1HG LYS 36 4.269 10.778 3.202 303 HD2 LYS 36 2HD LYS 36 6.629 12.134 3.451 304 HD3 LYS 36 1HD LYS 36 5.560 13.420 2.892 305 HE2 LYS 36 2HE LYS 36 4.282 11.753 4.933 306 HE3 LYS 36 1HE LYS 36 5.762 12.534 5.523 307 HZ1 LYS 36 3HZ LYS 36 3.505 13.859 4.112 308 HZ2 LYS 36 1HZ LYS 36 4.962 14.622 4.526 309 HZ3 LYS 36 2HZ LYS 36 3.924 14.058 5.745 310 H ARG 37 H ARG 37 6.181 7.448 0.901 311 HA ARG 37 HA ARG 37 8.052 7.862 -1.296 312 HB2 ARG 37 2HB ARG 37 7.306 5.581 0.542 313 HB3 ARG 37 1HB ARG 37 8.533 5.401 -0.711 314 HG2 ARG 37 2HG ARG 37 8.865 7.827 0.913 315 HG3 ARG 37 1HG ARG 37 9.009 6.332 1.839 316 HD2 ARG 37 2HD ARG 37 10.615 5.504 0.036 317 HD3 ARG 37 1HD ARG 37 10.623 7.165 -0.589 318 HE ARG 37 HE ARG 37 11.091 7.572 2.072 319 HH11 ARG 37 1HH1 ARG 37 12.555 5.787 -0.473 320 HH12 ARG 37 2HH1 ARG 37 14.051 5.548 0.367 321 HH21 ARG 37 1HH2 ARG 37 12.975 7.111 3.270 322 HH22 ARG 37 2HH2 ARG 37 14.288 6.300 2.486 323 H VAL 38 H VAL 38 4.865 6.633 -0.999 324 HA VAL 38 HA VAL 38 5.061 5.253 -3.641 325 HB VAL 38 HB VAL 38 2.730 4.433 -2.839 326 HG11 VAL 38 1HG1 VAL 38 5.442 3.711 -1.879 327 HG12 VAL 38 2HG1 VAL 38 4.235 2.718 -2.697 328 HG13 VAL 38 3HG1 VAL 38 4.097 3.025 -0.966 329 HG21 VAL 38 3HG2 VAL 38 3.715 5.008 -0.087 330 HG22 VAL 38 1HG2 VAL 38 2.063 4.869 -0.680 331 HG23 VAL 38 2HG2 VAL 38 2.977 6.348 -0.964 332 H GLY 39 H GLY 39 3.992 8.114 -2.159 333 HA2 GLY 39 2HA GLY 39 3.164 10.011 -3.355 334 HA3 GLY 39 1HA GLY 39 2.695 8.943 -4.675 335 H LEU 40 H LEU 40 1.855 8.594 -1.227 336 HA LEU 40 HA LEU 40 -0.927 9.456 -1.769 337 HB2 LEU 40 2HB LEU 40 -1.626 7.141 -0.758 338 HB3 LEU 40 1HB LEU 40 -1.187 7.224 -2.464 339 HG LEU 40 HG LEU 40 1.166 6.839 -0.832 340 HD11 LEU 40 1HD1 LEU 40 -1.235 5.350 -0.060 341 HD12 LEU 40 2HD1 LEU 40 0.319 5.473 0.762 342 HD13 LEU 40 3HD1 LEU 40 0.097 4.295 -0.528 343 HD21 LEU 40 3HD2 LEU 40 -0.219 5.614 -3.170 344 HD22 LEU 40 1HD2 LEU 40 0.952 4.608 -2.321 345 HD23 LEU 40 2HD2 LEU 40 1.452 6.149 -3.011 346 H SER 41 H SER 41 -2.252 9.265 0.290 347 HA SER 41 HA SER 41 -0.775 10.319 2.558 348 HB2 SER 41 2HB SER 41 -3.350 9.397 3.306 349 HB3 SER 41 1HB SER 41 -2.889 11.050 2.905 350 HG SER 41 HG SER 41 -4.044 9.058 1.304 351 HA PRO 42 HA PRO 42 0.226 6.566 4.408 352 HB2 PRO 42 2HB PRO 42 0.267 7.277 7.048 353 HB3 PRO 42 1HB PRO 42 1.512 7.773 5.887 354 HG2 PRO 42 2HG PRO 42 -0.785 9.319 6.972 355 HG3 PRO 42 1HG PRO 42 0.853 9.858 6.572 356 HD2 PRO 42 2HD PRO 42 -1.350 10.267 4.973 357 HD3 PRO 42 1HD PRO 42 0.325 10.231 4.381 358 H THR 43 H THR 43 -2.474 8.268 6.032 359 HA THR 43 HA THR 43 -3.680 6.317 7.529 360 HB THR 43 HB THR 43 -4.635 8.468 5.695 361 HG1 THR 43 1HG THR 43 -5.535 9.164 7.639 362 HG21 THR 43 3HG2 THR 43 -6.276 6.117 6.495 363 HG22 THR 43 1HG2 THR 43 -6.444 7.181 5.098 364 HG23 THR 43 2HG2 THR 43 -7.025 7.702 6.680 365 HA PRO 44 HA PRO 44 -5.467 4.056 3.753 366 HB2 PRO 44 2HB PRO 44 -4.859 4.960 1.243 367 HB3 PRO 44 1HB PRO 44 -6.241 5.574 2.172 368 HG2 PRO 44 2HG PRO 44 -3.577 6.807 1.699 369 HG3 PRO 44 1HG PRO 44 -5.166 7.572 1.853 370 HD2 PRO 44 2HD PRO 44 -3.254 7.483 3.853 371 HD3 PRO 44 1HD PRO 44 -4.990 7.742 4.115 372 H CYS 45 H CYS 45 -2.283 5.508 2.911 373 HA CYS 45 HA CYS 45 -0.999 3.551 1.480 374 HB2 CYS 45 2HB CYS 45 -0.037 5.649 2.529 375 HB3 CYS 45 1HB CYS 45 0.086 4.758 4.044 376 HG CYS 45 HG CYS 45 2.018 3.446 3.154 377 H LEU 46 H LEU 46 -1.451 3.483 5.011 378 HA LEU 46 HA LEU 46 -0.442 0.851 5.448 379 HB2 LEU 46 2HB LEU 46 -2.602 2.472 6.841 380 HB3 LEU 46 1HB LEU 46 -1.764 1.083 7.540 381 HG LEU 46 HG LEU 46 0.186 2.904 6.504 382 HD11 LEU 46 1HD1 LEU 46 -0.995 4.385 8.698 383 HD12 LEU 46 2HD1 LEU 46 -2.114 4.273 7.340 384 HD13 LEU 46 3HD1 LEU 46 -0.506 4.958 7.103 385 HD21 LEU 46 3HD2 LEU 46 -0.567 2.186 9.352 386 HD22 LEU 46 1HD2 LEU 46 0.981 2.845 8.823 387 HD23 LEU 46 2HD2 LEU 46 0.489 1.229 8.313 388 H GLU 47 H GLU 47 -3.788 2.047 5.002 389 HA GLU 47 HA GLU 47 -5.213 -0.338 5.010 390 HB2 GLU 47 2HB GLU 47 -5.365 2.276 3.617 391 HB3 GLU 47 1HB GLU 47 -6.350 0.991 2.927 392 HG2 GLU 47 2HG GLU 47 -6.373 1.826 5.842 393 HG3 GLU 47 1HG GLU 47 -7.588 2.283 4.649 394 H ARG 48 H ARG 48 -3.239 1.029 2.389 395 HA ARG 48 HA ARG 48 -3.737 -1.096 0.492 396 HB2 ARG 48 2HB ARG 48 -1.324 0.729 0.691 397 HB3 ARG 48 1HB ARG 48 -2.030 0.038 -0.772 398 HG2 ARG 48 2HG ARG 48 -3.975 1.587 0.773 399 HG3 ARG 48 1HG ARG 48 -2.593 2.558 0.271 400 HD2 ARG 48 2HD ARG 48 -3.220 2.496 -1.921 401 HD3 ARG 48 1HD ARG 48 -3.615 0.768 -1.842 402 HE ARG 48 HE ARG 48 -5.424 2.919 -0.798 403 HH11 ARG 48 1HH2 ARG 48 -5.691 -0.075 -0.046 404 HH12 ARG 48 2HH2 ARG 48 -6.958 -0.550 -1.126 405 HH21 ARG 48 1HH1 ARG 48 -6.686 2.276 -3.115 406 HH22 ARG 48 2HH1 ARG 48 -7.522 0.780 -2.863 407 H VAL 49 H VAL 49 -1.113 -0.370 2.791 408 HA VAL 49 HA VAL 49 0.500 -2.670 2.242 409 HB VAL 49 HB VAL 49 0.543 -0.381 3.846 410 HG11 VAL 49 1HG1 VAL 49 0.486 -2.873 5.585 411 HG12 VAL 49 2HG1 VAL 49 -0.634 -1.512 5.662 412 HG13 VAL 49 3HG1 VAL 49 1.054 -1.292 6.124 413 HG21 VAL 49 3HG2 VAL 49 2.367 -1.878 2.692 414 HG22 VAL 49 1HG2 VAL 49 2.490 -2.631 4.279 415 HG23 VAL 49 2HG2 VAL 49 2.808 -0.905 4.096 416 H ARG 50 H ARG 50 -2.087 -2.087 4.634 417 HA ARG 50 HA ARG 50 -2.068 -4.501 6.042 418 HB2 ARG 50 2HB ARG 50 -4.460 -2.957 4.977 419 HB3 ARG 50 1HB ARG 50 -4.466 -4.030 6.377 420 HG2 ARG 50 2HG ARG 50 -2.476 -1.800 6.337 421 HG3 ARG 50 1HG ARG 50 -4.162 -1.397 6.661 422 HD2 ARG 50 2HD ARG 50 -2.704 -3.600 8.145 423 HD3 ARG 50 1HD ARG 50 -2.766 -1.926 8.724 424 HE ARG 50 HE ARG 50 -5.278 -3.424 8.092 425 HH11 ARG 50 1HH1 ARG 50 -3.391 -2.949 10.747 426 HH12 ARG 50 2HH1 ARG 50 -4.555 -2.064 11.674 427 HH21 ARG 50 1HH2 ARG 50 -6.752 -1.654 9.022 428 HH22 ARG 50 2HH2 ARG 50 -6.456 -1.329 10.698 429 H ARG 51 H ARG 51 -3.670 -3.780 2.953 430 HA ARG 51 HA ARG 51 -4.807 -6.288 2.385 431 HB2 ARG 51 2HB ARG 51 -5.303 -4.978 0.593 432 HB3 ARG 51 1HB ARG 51 -4.013 -3.855 1.023 433 HG2 ARG 51 2HG ARG 51 -3.545 -4.713 -1.192 434 HG3 ARG 51 1HG ARG 51 -2.379 -5.424 -0.078 435 HD2 ARG 51 2HD ARG 51 -3.098 -7.309 -1.295 436 HD3 ARG 51 1HD ARG 51 -4.189 -7.351 0.107 437 HE ARG 51 HE ARG 51 -5.049 -5.813 -2.290 438 HH11 ARG 51 1HH2 ARG 51 -6.255 -7.239 0.393 439 HH12 ARG 51 2HH2 ARG 51 -7.421 -8.245 -0.400 440 HH21 ARG 51 1HH1 ARG 51 -6.163 -7.656 -3.578 441 HH22 ARG 51 2HH1 ARG 51 -7.369 -8.483 -2.649 442 H LEU 52 H LEU 52 -1.476 -5.134 1.962 443 HA LEU 52 HA LEU 52 -0.493 -7.639 0.840 444 HB2 LEU 52 2HB LEU 52 0.771 -5.169 2.060 445 HB3 LEU 52 1HB LEU 52 1.715 -6.480 1.352 446 HG LEU 52 HG LEU 52 -0.456 -4.973 -0.128 447 HD11 LEU 52 1HD1 LEU 52 1.885 -4.292 -1.342 448 HD12 LEU 52 2HD1 LEU 52 2.411 -4.397 0.338 449 HD13 LEU 52 3HD1 LEU 52 1.101 -3.304 -0.109 450 HD21 LEU 52 3HD2 LEU 52 0.769 -6.026 -2.098 451 HD22 LEU 52 1HD2 LEU 52 -0.114 -7.154 -1.071 452 HD23 LEU 52 2HD2 LEU 52 1.637 -7.012 -0.923 453 H GLU 53 H GLU 53 -0.591 -6.131 4.048 454 HA GLU 53 HA GLU 53 0.997 -8.164 5.371 455 HB2 GLU 53 2HB GLU 53 0.845 -5.960 6.300 456 HB3 GLU 53 1HB GLU 53 -0.917 -5.980 6.228 457 HG2 GLU 53 2HG GLU 53 -0.119 -6.365 8.531 458 HG3 GLU 53 1HG GLU 53 -0.970 -7.779 7.910 459 H ARG 54 H ARG 54 -2.403 -7.803 4.576 460 HA ARG 54 HA ARG 54 -3.462 -9.716 6.456 461 HB2 ARG 54 2HB ARG 54 -4.358 -8.623 3.772 462 HB3 ARG 54 1HB ARG 54 -5.372 -9.668 4.767 463 HG2 ARG 54 2HG ARG 54 -4.145 -7.332 6.135 464 HG3 ARG 54 1HG ARG 54 -5.419 -6.979 4.968 465 HD2 ARG 54 2HD ARG 54 -6.990 -7.650 6.454 466 HD3 ARG 54 1HD ARG 54 -6.206 -9.237 6.592 467 HE ARG 54 HE ARG 54 -4.572 -7.460 8.022 468 HH11 ARG 54 1HH1 ARG 54 -7.927 -8.215 8.027 469 HH12 ARG 54 2HH1 ARG 54 -8.073 -8.176 9.751 470 HH21 ARG 54 1HH2 ARG 54 -4.706 -7.553 10.290 471 HH22 ARG 54 2HH2 ARG 54 -6.250 -7.801 11.033 472 H GLN 55 H GLN 55 -2.359 -9.980 3.069 473 HA GLN 55 HA GLN 55 -2.977 -12.821 2.887 474 HB2 GLN 55 2HB GLN 55 -1.664 -12.538 0.741 475 HB3 GLN 55 1HB GLN 55 -2.994 -11.395 0.927 476 HG2 GLN 55 2HG GLN 55 -1.589 -9.601 1.289 477 HG3 GLN 55 1HG GLN 55 -0.323 -10.602 1.999 478 HE21 GLN 55 1HE2 GLN 55 -1.107 -8.879 -0.789 479 HE22 GLN 55 2HE2 GLN 55 -0.064 -9.658 -1.878 480 H GLY 56 H GLY 56 -0.686 -11.251 4.656 481 HA2 GLY 56 2HA GLY 56 1.110 -12.227 5.866 482 HA3 GLY 56 1HA GLY 56 0.972 -13.665 4.854 483 H PHE 57 H PHE 57 1.376 -10.295 3.789 484 HA PHE 57 HA PHE 57 3.982 -11.121 2.549 485 HB2 PHE 57 2HB PHE 57 1.546 -9.775 1.575 486 HB3 PHE 57 1HB PHE 57 3.042 -8.970 1.104 487 HD1 PHE 57 1HD PHE 57 2.601 -12.610 1.727 488 HD2 PHE 57 2HD PHE 57 3.128 -9.528 -1.215 489 HE1 PHE 57 1HE PHE 57 2.986 -14.336 -0.012 490 HE2 PHE 57 2HE PHE 57 3.513 -11.252 -2.953 491 HZ PHE 57 HZ PHE 57 3.443 -13.657 -2.353 492 H ILE 58 H ILE 58 2.937 -9.513 5.125 493 HA ILE 58 HA ILE 58 5.053 -7.410 4.897 494 HB ILE 58 HB ILE 58 2.358 -7.019 6.210 495 HG12 ILE 58 2HG1 ILE 58 2.131 -7.546 3.759 496 HG13 ILE 58 1HG1 ILE 58 1.611 -5.914 4.179 497 HG21 ILE 58 1HG2 ILE 58 4.569 -5.177 5.264 498 HG22 ILE 58 2HG2 ILE 58 4.048 -5.451 6.929 499 HG23 ILE 58 3HG2 ILE 58 2.985 -4.611 5.798 500 HD11 ILE 58 3HD1 ILE 58 4.402 -5.790 3.647 501 HD12 ILE 58 1HD1 ILE 58 3.090 -5.084 2.703 502 HD13 ILE 58 2HD1 ILE 58 3.663 -6.711 2.337 503 H GLN 59 H GLN 59 4.819 -10.121 6.247 504 HA GLN 59 HA GLN 59 4.646 -9.601 9.110 505 HB2 GLN 59 2HB GLN 59 5.594 -11.970 9.145 506 HB3 GLN 59 1HB GLN 59 4.099 -11.781 8.228 507 HG2 GLN 59 2HG GLN 59 5.115 -12.438 6.327 508 HG3 GLN 59 1HG GLN 59 6.383 -11.230 6.539 509 HE21 GLN 59 1HE2 GLN 59 7.561 -12.148 8.956 510 HE22 GLN 59 2HE2 GLN 59 8.250 -13.675 8.688 511 H GLY 60 H GLY 60 6.901 -8.707 6.865 512 HA2 GLY 60 2HA GLY 60 9.016 -8.520 8.945 513 HA3 GLY 60 1HA GLY 60 9.440 -9.209 7.377 514 H TYR 61 H TYR 61 7.908 -7.550 5.702 515 HA TYR 61 HA TYR 61 9.585 -5.294 5.325 516 HB2 TYR 61 2HB TYR 61 6.693 -5.774 4.536 517 HB3 TYR 61 1HB TYR 61 7.775 -4.608 3.775 518 HD1 TYR 61 2HD TYR 61 9.813 -5.407 2.550 519 HD2 TYR 61 1HD TYR 61 6.817 -8.112 4.024 520 HE1 TYR 61 2HE TYR 61 10.698 -7.191 1.072 521 HE2 TYR 61 1HE TYR 61 7.702 -9.896 2.546 522 HH TYR 61 HH TYR 61 9.168 -9.727 0.132 523 H THR 62 H THR 62 6.453 -4.041 5.362 524 HA THR 62 HA THR 62 7.150 -2.278 7.612 525 HB THR 62 HB THR 62 6.120 -1.643 5.348 526 HG1 THR 62 1HG THR 62 4.542 -0.227 6.586 527 HG21 THR 62 3HG2 THR 62 4.318 -3.001 4.918 528 HG22 THR 62 1HG2 THR 62 3.476 -1.693 5.747 529 HG23 THR 62 2HG2 THR 62 3.902 -3.158 6.622 530 H ALA 63 H ALA 63 6.420 -5.192 7.981 531 HA ALA 63 HA ALA 63 3.948 -5.817 8.952 532 HB1 ALA 63 1HB ALA 63 6.296 -6.977 9.110 533 HB2 ALA 63 2HB ALA 63 5.079 -7.362 10.326 534 HB3 ALA 63 3HB ALA 63 6.370 -6.221 10.703 535 H LEU 64 H LEU 64 6.228 -3.533 10.374 536 HA LEU 64 HA LEU 64 5.096 -3.070 12.912 537 HB2 LEU 64 2HB LEU 64 5.992 -0.670 12.378 538 HB3 LEU 64 1HB LEU 64 7.140 -2.007 12.380 539 HG LEU 64 HG LEU 64 5.913 -1.780 9.770 540 HD11 LEU 64 1HD1 LEU 64 5.956 0.684 10.934 541 HD12 LEU 64 2HD1 LEU 64 6.157 0.415 9.203 542 HD13 LEU 64 3HD1 LEU 64 7.574 0.626 10.234 543 HD21 LEU 64 3HD2 LEU 64 7.989 -2.858 9.879 544 HD22 LEU 64 1HD2 LEU 64 8.665 -1.658 10.980 545 HD23 LEU 64 2HD2 LEU 64 8.442 -1.263 9.276 546 H LEU 65 H LEU 65 3.999 -2.153 9.758 547 HA LEU 65 HA LEU 65 2.300 -0.035 10.057 548 HB2 LEU 65 2HB LEU 65 1.092 -0.990 8.231 549 HB3 LEU 65 1HB LEU 65 2.726 -1.650 8.096 550 HG LEU 65 HG LEU 65 1.456 -3.435 9.803 551 HD11 LEU 65 1HD1 LEU 65 -0.590 -2.004 8.546 552 HD12 LEU 65 2HD1 LEU 65 -0.750 -3.566 9.350 553 HD13 LEU 65 3HD1 LEU 65 -0.460 -3.494 7.613 554 HD21 LEU 65 3HD2 LEU 65 1.877 -3.488 6.804 555 HD22 LEU 65 1HD2 LEU 65 1.436 -4.908 7.752 556 HD23 LEU 65 2HD2 LEU 65 2.974 -4.096 8.045 557 H ASN 66 H ASN 66 1.934 -3.151 11.578 558 HA ASN 66 HA ASN 66 -0.827 -2.533 12.477 559 HB2 ASN 66 2HB ASN 66 0.282 -4.798 11.613 560 HB3 ASN 66 1HB ASN 66 0.749 -4.942 13.308 561 HD21 ASN 66 1HD2 ASN 66 -2.140 -4.406 11.232 562 HD22 ASN 66 2HD2 ASN 66 -3.237 -5.112 12.317 Start of MODEL 19 1 H1 MET 1 1HT MET 1 5.625 -12.397 -13.492 2 H2 MET 1 2HT MET 1 6.607 -13.403 -14.447 3 H3 MET 1 3HT MET 1 5.463 -12.384 -15.181 4 HA MET 1 HA MET 1 7.291 -11.086 -15.509 5 HB2 MET 1 2HB MET 1 5.511 -10.333 -13.609 6 HB3 MET 1 1HB MET 1 6.997 -10.273 -12.661 7 HG2 MET 1 2HG MET 1 6.920 -9.020 -15.392 8 HG3 MET 1 1HG MET 1 6.250 -8.150 -14.013 9 HE1 MET 1 2HE MET 1 8.885 -8.735 -11.451 10 HE2 MET 1 3HE MET 1 7.217 -8.356 -11.873 11 HE3 MET 1 1HE MET 1 8.435 -7.076 -11.842 12 H VAL 2 H VAL 2 7.590 -13.269 -12.807 13 HA VAL 2 HA VAL 2 9.504 -14.230 -11.807 14 HB VAL 2 HB VAL 2 11.113 -12.938 -14.004 15 HG11 VAL 2 1HG1 VAL 2 11.548 -15.705 -13.829 16 HG12 VAL 2 2HG1 VAL 2 11.351 -15.171 -12.159 17 HG13 VAL 2 3HG1 VAL 2 12.586 -14.435 -13.182 18 HG21 VAL 2 3HG2 VAL 2 10.204 -15.226 -15.181 19 HG22 VAL 2 1HG2 VAL 2 9.507 -13.634 -15.474 20 HG23 VAL 2 2HG2 VAL 2 8.763 -14.719 -14.299 21 H ASP 3 H ASP 3 12.202 -12.809 -12.274 22 HA ASP 3 HA ASP 3 13.492 -11.212 -11.105 23 HB2 ASP 3 2HB ASP 3 11.069 -9.996 -12.147 24 HB3 ASP 3 1HB ASP 3 11.583 -9.180 -10.671 25 H SER 4 H SER 4 12.588 -9.362 -9.103 26 HA SER 4 HA SER 4 11.819 -11.282 -6.934 27 HB2 SER 4 2HB SER 4 13.278 -8.634 -6.734 28 HB3 SER 4 1HB SER 4 13.171 -9.886 -5.498 29 HG SER 4 HG SER 4 14.137 -11.206 -7.384 30 H LYS 5 H LYS 5 10.766 -9.982 -5.014 31 HA LYS 5 HA LYS 5 8.900 -8.751 -4.254 32 HB2 LYS 5 2HB LYS 5 9.675 -7.021 -6.628 33 HB3 LYS 5 1HB LYS 5 8.769 -6.501 -5.208 34 HG2 LYS 5 2HG LYS 5 11.265 -7.788 -4.448 35 HG3 LYS 5 1HG LYS 5 11.552 -6.420 -5.523 36 HD2 LYS 5 2HD LYS 5 11.522 -5.527 -3.295 37 HD3 LYS 5 1HD LYS 5 9.984 -5.078 -4.034 38 HE2 LYS 5 2HE LYS 5 10.037 -7.696 -2.609 39 HE3 LYS 5 1HE LYS 5 10.102 -6.238 -1.602 40 HZ1 LYS 5 3HZ LYS 5 7.896 -6.175 -1.944 41 HZ2 LYS 5 1HZ LYS 5 7.962 -7.216 -3.282 42 HZ3 LYS 5 2HZ LYS 5 8.293 -5.562 -3.477 43 H LYS 6 H LYS 6 7.131 -10.097 -4.704 44 HA LYS 6 HA LYS 6 5.739 -9.615 -7.319 45 HB2 LYS 6 2HB LYS 6 5.339 -11.980 -7.496 46 HB3 LYS 6 1HB LYS 6 7.052 -11.797 -7.117 47 HG2 LYS 6 2HG LYS 6 6.631 -12.260 -4.764 48 HG3 LYS 6 1HG LYS 6 4.890 -12.304 -5.052 49 HD2 LYS 6 2HD LYS 6 5.289 -14.560 -5.201 50 HD3 LYS 6 1HD LYS 6 5.671 -14.134 -6.870 51 HE2 LYS 6 2HE LYS 6 7.883 -14.606 -6.589 52 HE3 LYS 6 1HE LYS 6 7.940 -13.780 -5.020 53 HZ1 LYS 6 3HZ LYS 6 8.155 -16.313 -5.016 54 HZ2 LYS 6 1HZ LYS 6 6.494 -16.336 -5.365 55 HZ3 LYS 6 2HZ LYS 6 7.050 -15.620 -3.928 56 H ARG 7 H ARG 7 5.549 -9.205 -4.065 57 HA ARG 7 HA ARG 7 3.736 -9.120 -2.519 58 HB2 ARG 7 2HB ARG 7 2.024 -8.393 -4.860 59 HB3 ARG 7 1HB ARG 7 2.266 -7.527 -3.343 60 HG2 ARG 7 2HG ARG 7 4.184 -7.664 -5.684 61 HG3 ARG 7 1HG ARG 7 3.312 -6.244 -5.111 62 HD2 ARG 7 2HD ARG 7 4.795 -5.877 -3.405 63 HD3 ARG 7 1HD ARG 7 4.969 -7.609 -3.063 64 HE ARG 7 HE ARG 7 6.748 -7.687 -4.626 65 HH11 ARG 7 1HH2 ARG 7 6.083 -4.512 -4.055 66 HH12 ARG 7 2HH2 ARG 7 6.610 -3.912 -5.593 67 HH21 ARG 7 1HH1 ARG 7 6.899 -7.056 -7.020 68 HH22 ARG 7 2HH1 ARG 7 7.073 -5.352 -7.270 69 HA PRO 8 HA PRO 8 0.842 -12.459 -2.976 70 HB2 PRO 8 2HB PRO 8 -1.732 -11.538 -3.181 71 HB3 PRO 8 1HB PRO 8 -0.809 -11.509 -1.666 72 HG2 PRO 8 2HG PRO 8 -1.398 -9.306 -3.568 73 HG3 PRO 8 1HG PRO 8 -1.253 -9.269 -1.805 74 HD2 PRO 8 2HD PRO 8 0.697 -8.425 -3.551 75 HD3 PRO 8 1HD PRO 8 1.004 -8.933 -1.880 76 H GLY 9 H GLY 9 1.355 -10.443 -5.505 77 HA2 GLY 9 2HA GLY 9 1.025 -10.572 -7.814 78 HA3 GLY 9 1HA GLY 9 0.870 -12.310 -7.543 79 H LYS 10 H LYS 10 -0.669 -11.144 -9.515 80 HA LYS 10 HA LYS 10 -2.911 -11.029 -10.251 81 HB2 LYS 10 2HB LYS 10 -2.878 -13.222 -9.059 82 HB3 LYS 10 1HB LYS 10 -3.345 -12.394 -7.573 83 HG2 LYS 10 2HG LYS 10 -5.309 -11.456 -9.058 84 HG3 LYS 10 1HG LYS 10 -4.953 -12.863 -10.063 85 HD2 LYS 10 2HD LYS 10 -5.972 -14.240 -8.599 86 HD3 LYS 10 1HD LYS 10 -5.004 -13.611 -7.266 87 HE2 LYS 10 2HE LYS 10 -6.643 -11.538 -7.450 88 HE3 LYS 10 1HE LYS 10 -7.713 -12.729 -8.214 89 HZ1 LYS 10 3HZ LYS 10 -6.426 -12.890 -5.545 90 HZ2 LYS 10 1HZ LYS 10 -7.121 -14.236 -6.309 91 HZ3 LYS 10 2HZ LYS 10 -8.088 -12.901 -5.898 92 H ASP 11 H ASP 11 -4.171 -9.216 -10.247 93 HA ASP 11 HA ASP 11 -5.011 -7.129 -9.474 94 HB2 ASP 11 2HB ASP 11 -6.365 -9.287 -8.571 95 HB3 ASP 11 1HB ASP 11 -5.907 -8.573 -7.025 96 H LEU 12 H LEU 12 -3.107 -5.929 -8.936 97 HA LEU 12 HA LEU 12 -2.519 -5.821 -6.003 98 HB2 LEU 12 2HB LEU 12 -0.840 -6.648 -8.231 99 HB3 LEU 12 1HB LEU 12 -0.130 -5.275 -7.377 100 HG LEU 12 HG LEU 12 -1.257 -7.445 -5.686 101 HD11 LEU 12 1HD1 LEU 12 0.215 -8.315 -7.776 102 HD12 LEU 12 2HD1 LEU 12 0.286 -9.064 -6.183 103 HD13 LEU 12 3HD1 LEU 12 1.514 -7.893 -6.660 104 HD21 LEU 12 3HD2 LEU 12 0.129 -6.513 -4.148 105 HD22 LEU 12 1HD2 LEU 12 0.267 -5.178 -5.294 106 HD23 LEU 12 2HD2 LEU 12 1.482 -6.457 -5.277 107 H ASP 13 H ASP 13 -3.134 -3.760 -5.442 108 HA ASP 13 HA ASP 13 -3.361 -1.561 -7.265 109 HB2 ASP 13 2HB ASP 13 -3.261 -1.943 -4.277 110 HB3 ASP 13 1HB ASP 13 -3.340 -0.317 -4.958 111 H ARG 14 H ARG 14 -1.806 -0.203 -8.031 112 HA ARG 14 HA ARG 14 0.924 -0.597 -7.867 113 HB2 ARG 14 2HB ARG 14 -0.642 1.996 -8.064 114 HB3 ARG 14 1HB ARG 14 1.055 1.823 -8.511 115 HG2 ARG 14 2HG ARG 14 -1.315 0.406 -9.765 116 HG3 ARG 14 1HG ARG 14 -0.269 1.605 -10.527 117 HD2 ARG 14 2HD ARG 14 1.519 -0.338 -9.610 118 HD3 ARG 14 1HD ARG 14 0.147 -1.271 -10.241 119 HE ARG 14 HE ARG 14 1.829 0.600 -11.803 120 HH11 ARG 14 1HH1 ARG 14 -1.317 -0.692 -11.558 121 HH12 ARG 14 2HH1 ARG 14 -1.455 -1.070 -13.243 122 HH21 ARG 14 1HH2 ARG 14 1.810 -0.172 -13.981 123 HH22 ARG 14 2HH2 ARG 14 0.315 -0.776 -14.614 124 H ILE 15 H ILE 15 -1.144 0.775 -5.420 125 HA ILE 15 HA ILE 15 0.917 2.156 -3.920 126 HB ILE 15 HB ILE 15 -1.696 1.025 -2.903 127 HG12 ILE 15 2HG1 ILE 15 -2.342 2.086 -4.933 128 HG13 ILE 15 1HG1 ILE 15 -2.599 3.310 -3.692 129 HG21 ILE 15 1HG2 ILE 15 -1.003 2.166 -1.080 130 HG22 ILE 15 2HG2 ILE 15 -1.296 3.637 -2.010 131 HG23 ILE 15 3HG2 ILE 15 0.317 2.923 -1.973 132 HD11 ILE 15 3HD1 ILE 15 -1.443 4.392 -5.502 133 HD12 ILE 15 1HD1 ILE 15 -0.257 3.091 -5.598 134 HD13 ILE 15 2HD1 ILE 15 -0.269 4.172 -4.205 135 H ASP 16 H ASP 16 -0.437 -1.124 -3.852 136 HA ASP 16 HA ASP 16 0.953 -1.867 -1.391 137 HB2 ASP 16 2HB ASP 16 -0.486 -3.377 -3.599 138 HB3 ASP 16 1HB ASP 16 0.140 -4.159 -2.148 139 H ARG 17 H ARG 17 1.445 -2.529 -4.873 140 HA ARG 17 HA ARG 17 3.776 -4.148 -4.563 141 HB2 ARG 17 2HB ARG 17 2.197 -2.890 -6.623 142 HB3 ARG 17 1HB ARG 17 3.911 -2.686 -6.984 143 HG2 ARG 17 2HG ARG 17 4.168 -5.183 -6.495 144 HG3 ARG 17 1HG ARG 17 2.406 -5.268 -6.533 145 HD2 ARG 17 2HD ARG 17 2.602 -4.075 -8.837 146 HD3 ARG 17 1HD ARG 17 4.301 -4.587 -8.782 147 HE ARG 17 HE ARG 17 2.316 -6.679 -8.156 148 HH11 ARG 17 1HH1 ARG 17 2.466 -5.374 -11.057 149 HH12 ARG 17 2HH1 ARG 17 3.354 -6.624 -11.862 150 HH21 ARG 17 1HH2 ARG 17 4.294 -8.211 -8.924 151 HH22 ARG 17 2HH2 ARG 17 4.391 -8.232 -10.653 152 H ASN 18 H ASN 18 3.481 -0.693 -5.344 153 HA ASN 18 HA ASN 18 6.266 -0.102 -5.284 154 HB2 ASN 18 2HB ASN 18 3.969 1.206 -5.903 155 HB3 ASN 18 1HB ASN 18 4.301 1.914 -4.321 156 HD21 ASN 18 1HD2 ASN 18 4.495 3.507 -6.678 157 HD22 ASN 18 2HD2 ASN 18 6.125 3.904 -6.931 158 H ILE 19 H ILE 19 3.770 -0.086 -2.750 159 HA ILE 19 HA ILE 19 5.434 0.935 -0.654 160 HB ILE 19 HB ILE 19 2.899 -0.669 -0.885 161 HG12 ILE 19 2HG1 ILE 19 3.552 2.016 0.376 162 HG13 ILE 19 1HG1 ILE 19 2.911 1.796 -1.252 163 HG21 ILE 19 1HG2 ILE 19 4.675 -0.459 1.466 164 HG22 ILE 19 2HG2 ILE 19 3.393 -1.619 1.123 165 HG23 ILE 19 3HG2 ILE 19 2.993 -0.030 1.772 166 HD11 ILE 19 3HD1 ILE 19 0.905 0.705 -0.326 167 HD12 ILE 19 1HD1 ILE 19 1.105 2.318 0.356 168 HD13 ILE 19 2HD1 ILE 19 1.546 0.898 1.305 169 H LEU 20 H LEU 20 4.776 -2.351 -1.850 170 HA LEU 20 HA LEU 20 6.341 -3.677 0.220 171 HB2 LEU 20 2HB LEU 20 5.050 -4.342 -2.417 172 HB3 LEU 20 1HB LEU 20 6.182 -5.497 -1.713 173 HG LEU 20 HG LEU 20 3.724 -4.368 -0.345 174 HD11 LEU 20 1HD1 LEU 20 3.311 -6.049 -2.167 175 HD12 LEU 20 2HD1 LEU 20 2.815 -6.608 -0.569 176 HD13 LEU 20 3HD1 LEU 20 4.323 -7.189 -1.279 177 HD21 LEU 20 3HD2 LEU 20 6.125 -5.568 0.689 178 HD22 LEU 20 1HD2 LEU 20 4.772 -6.666 0.956 179 HD23 LEU 20 2HD2 LEU 20 4.704 -5.017 1.576 180 H ASN 21 H ASN 21 6.950 -2.437 -3.049 181 HA ASN 21 HA ASN 21 9.625 -3.539 -3.274 182 HB2 ASN 21 2HB ASN 21 8.091 -2.828 -5.144 183 HB3 ASN 21 1HB ASN 21 8.340 -1.155 -4.644 184 HD21 ASN 21 1HD2 ASN 21 9.275 -1.047 -6.974 185 HD22 ASN 21 2HD2 ASN 21 10.917 -1.433 -7.163 186 H GLU 22 H GLU 22 8.211 -0.581 -1.996 187 HA GLU 22 HA GLU 22 10.702 0.864 -1.726 188 HB2 GLU 22 2HB GLU 22 7.985 1.087 -0.394 189 HB3 GLU 22 1HB GLU 22 9.256 2.301 -0.255 190 HG2 GLU 22 2HG GLU 22 8.686 1.498 -3.027 191 HG3 GLU 22 1HG GLU 22 7.323 2.268 -2.215 192 H LEU 23 H LEU 23 8.871 -1.381 0.307 193 HA LEU 23 HA LEU 23 10.401 -0.922 2.721 194 HB2 LEU 23 2HB LEU 23 8.469 -2.918 1.614 195 HB3 LEU 23 1HB LEU 23 9.412 -3.391 3.031 196 HG LEU 23 HG LEU 23 8.109 -0.697 3.025 197 HD11 LEU 23 1HD1 LEU 23 6.575 -3.084 3.993 198 HD12 LEU 23 2HD1 LEU 23 6.494 -2.645 2.287 199 HD13 LEU 23 3HD1 LEU 23 5.980 -1.495 3.520 200 HD21 LEU 23 3HD2 LEU 23 8.826 -0.793 5.157 201 HD22 LEU 23 1HD2 LEU 23 9.496 -2.396 4.853 202 HD23 LEU 23 2HD2 LEU 23 7.838 -2.228 5.431 203 H GLN 24 H GLN 24 10.702 -3.118 -0.049 204 HA GLN 24 HA GLN 24 12.827 -4.744 0.990 205 HB2 GLN 24 2HB GLN 24 11.622 -5.485 -0.925 206 HB3 GLN 24 1HB GLN 24 11.834 -3.942 -1.753 207 HG2 GLN 24 2HG GLN 24 13.349 -5.580 -2.734 208 HG3 GLN 24 1HG GLN 24 14.295 -4.386 -1.843 209 HE21 GLN 24 1HE2 GLN 24 13.553 -7.761 -2.082 210 HE22 GLN 24 2HE2 GLN 24 14.412 -8.265 -0.708 211 H LYS 25 H LYS 25 12.797 -1.731 -0.937 212 HA LYS 25 HA LYS 25 15.680 -1.514 -1.116 213 HB2 LYS 25 2HB LYS 25 15.025 0.136 -2.535 214 HB3 LYS 25 1HB LYS 25 13.359 -0.247 -2.108 215 HG2 LYS 25 2HG LYS 25 13.799 1.278 -0.028 216 HG3 LYS 25 1HG LYS 25 15.148 1.897 -0.979 217 HD2 LYS 25 2HD LYS 25 12.214 1.903 -1.738 218 HD3 LYS 25 1HD LYS 25 13.231 3.304 -1.417 219 HE2 LYS 25 2HE LYS 25 14.222 1.470 -3.539 220 HE3 LYS 25 1HE LYS 25 12.761 2.396 -3.928 221 HZ1 LYS 25 3HZ LYS 25 15.456 3.335 -3.389 222 HZ2 LYS 25 1HZ LYS 25 14.216 4.235 -2.660 223 HZ3 LYS 25 2HZ LYS 25 14.237 4.031 -4.346 224 H ASP 26 H ASP 26 13.275 -0.577 1.249 225 HA ASP 26 HA ASP 26 15.493 0.384 2.999 226 HB2 ASP 26 2HB ASP 26 13.314 1.841 1.841 227 HB3 ASP 26 1HB ASP 26 13.046 1.755 3.582 228 H GLY 27 H GLY 27 15.200 -1.952 3.761 229 HA2 GLY 27 2HA GLY 27 12.749 -2.801 4.996 230 HA3 GLY 27 1HA GLY 27 14.335 -3.519 5.282 231 H ARG 28 H ARG 28 12.768 -0.371 5.994 232 HA ARG 28 HA ARG 28 12.851 -0.701 8.843 233 HB2 ARG 28 2HB ARG 28 14.831 0.651 9.337 234 HB3 ARG 28 1HB ARG 28 15.296 -0.682 8.280 235 HG2 ARG 28 2HG ARG 28 14.448 1.880 6.995 236 HG3 ARG 28 1HG ARG 28 16.038 1.827 7.753 237 HD2 ARG 28 2HD ARG 28 15.809 -0.588 6.297 238 HD3 ARG 28 1HD ARG 28 15.224 0.697 5.224 239 HE ARG 28 HE ARG 28 17.514 1.730 6.483 240 HH11 ARG 28 1HH1 ARG 28 16.854 -1.211 4.844 241 HH12 ARG 28 2HH1 ARG 28 18.306 -1.175 3.899 242 HH21 ARG 28 1HH2 ARG 28 19.317 1.922 5.088 243 HH22 ARG 28 2HH2 ARG 28 19.700 0.599 4.038 244 H ILE 29 H ILE 29 11.244 0.490 6.595 245 HA ILE 29 HA ILE 29 11.099 3.330 7.539 246 HB ILE 29 HB ILE 29 11.615 3.001 5.161 247 HG12 ILE 29 2HG1 ILE 29 8.752 3.877 5.656 248 HG13 ILE 29 1HG1 ILE 29 10.185 4.906 5.705 249 HG21 ILE 29 1HG2 ILE 29 10.749 0.800 4.772 250 HG22 ILE 29 2HG2 ILE 29 9.820 1.887 3.739 251 HG23 ILE 29 3HG2 ILE 29 9.122 1.288 5.245 252 HD11 ILE 29 3HD1 ILE 29 9.215 5.247 3.547 253 HD12 ILE 29 1HD1 ILE 29 8.985 3.516 3.301 254 HD13 ILE 29 2HD1 ILE 29 10.611 4.199 3.288 255 H SER 30 H SER 30 9.149 4.083 8.347 256 HA SER 30 HA SER 30 7.191 2.103 9.202 257 HB2 SER 30 2HB SER 30 7.145 5.133 9.303 258 HB3 SER 30 1HB SER 30 6.205 4.041 10.314 259 HG SER 30 HG SER 30 7.878 3.805 11.550 260 H ASN 31 H ASN 31 5.047 4.290 8.795 261 HA ASN 31 HA ASN 31 4.327 3.490 5.994 262 HB2 ASN 31 2HB ASN 31 2.963 3.657 8.572 263 HB3 ASN 31 1HB ASN 31 2.093 4.544 7.320 264 HD21 ASN 31 1HD2 ASN 31 2.190 3.152 5.070 265 HD22 ASN 31 2HD2 ASN 31 1.728 1.530 5.260 266 H VAL 32 H VAL 32 4.363 6.251 8.272 267 HA VAL 32 HA VAL 32 3.298 8.297 6.722 268 HB VAL 32 HB VAL 32 5.803 8.226 8.442 269 HG11 VAL 32 1HG1 VAL 32 4.156 10.663 7.733 270 HG12 VAL 32 2HG1 VAL 32 5.609 10.210 6.841 271 HG13 VAL 32 3HG1 VAL 32 5.716 10.612 8.555 272 HG21 VAL 32 3HG2 VAL 32 3.869 9.532 9.854 273 HG22 VAL 32 1HG2 VAL 32 4.171 7.800 9.982 274 HG23 VAL 32 2HG2 VAL 32 2.887 8.395 8.932 275 H GLU 33 H GLU 33 6.798 7.494 6.725 276 HA GLU 33 HA GLU 33 7.412 8.943 4.330 277 HB2 GLU 33 2HB GLU 33 8.795 7.697 6.300 278 HB3 GLU 33 1HB GLU 33 8.912 6.463 5.044 279 HG2 GLU 33 2HG GLU 33 10.775 7.780 4.568 280 HG3 GLU 33 1HG GLU 33 9.561 8.501 3.509 281 H LEU 34 H LEU 34 6.068 5.787 4.961 282 HA LEU 34 HA LEU 34 6.484 4.714 2.284 283 HB2 LEU 34 2HB LEU 34 5.788 3.814 4.844 284 HB3 LEU 34 1HB LEU 34 4.351 3.529 3.862 285 HG LEU 34 HG LEU 34 7.145 2.680 3.050 286 HD11 LEU 34 1HD1 LEU 34 6.818 1.165 4.741 287 HD12 LEU 34 2HD1 LEU 34 5.825 0.367 3.522 288 HD13 LEU 34 3HD1 LEU 34 5.069 1.391 4.744 289 HD21 LEU 34 3HD2 LEU 34 5.407 3.076 1.256 290 HD22 LEU 34 1HD2 LEU 34 4.430 1.816 2.012 291 HD23 LEU 34 2HD2 LEU 34 6.005 1.419 1.330 292 H SER 35 H SER 35 4.244 6.863 3.747 293 HA SER 35 HA SER 35 2.010 6.269 1.923 294 HB2 SER 35 2HB SER 35 0.849 7.791 3.298 295 HB3 SER 35 1HB SER 35 1.990 7.008 4.398 296 HG SER 35 HG SER 35 1.813 9.606 3.633 297 H LYS 36 H LYS 36 4.309 8.953 2.470 298 HA LYS 36 HA LYS 36 3.272 10.515 0.234 299 HB2 LYS 36 2HB LYS 36 4.978 12.067 0.929 300 HB3 LYS 36 1HB LYS 36 4.326 11.334 2.393 301 HG2 LYS 36 2HG LYS 36 6.214 9.654 2.285 302 HG3 LYS 36 1HG LYS 36 6.909 10.620 0.982 303 HD2 LYS 36 2HD LYS 36 6.593 12.604 2.697 304 HD3 LYS 36 1HD LYS 36 6.597 11.302 3.887 305 HE2 LYS 36 2HE LYS 36 8.829 10.867 3.582 306 HE3 LYS 36 1HE LYS 36 8.740 11.153 1.834 307 HZ1 LYS 36 3HZ LYS 36 8.375 13.548 2.383 308 HZ2 LYS 36 1HZ LYS 36 9.922 12.972 2.774 309 HZ3 LYS 36 2HZ LYS 36 8.762 13.188 3.997 310 H ARG 37 H ARG 37 6.183 8.521 0.784 311 HA ARG 37 HA ARG 37 7.490 9.125 -1.670 312 HB2 ARG 37 2HB ARG 37 8.857 7.237 -1.106 313 HB3 ARG 37 1HB ARG 37 8.372 7.986 0.414 314 HG2 ARG 37 2HG ARG 37 6.494 6.356 0.575 315 HG3 ARG 37 1HG ARG 37 7.094 5.569 -0.886 316 HD2 ARG 37 2HD ARG 37 8.623 5.896 1.716 317 HD3 ARG 37 1HD ARG 37 7.966 4.381 1.068 318 HE ARG 37 HE ARG 37 9.485 5.321 -1.021 319 HH11 ARG 37 1HH2 ARG 37 10.134 3.138 1.191 320 HH12 ARG 37 2HH2 ARG 37 11.784 3.560 1.507 321 HH21 ARG 37 1HH1 ARG 37 11.589 6.617 -0.120 322 HH22 ARG 37 2HH1 ARG 37 12.608 5.530 0.765 323 H VAL 38 H VAL 38 4.695 7.260 -1.051 324 HA VAL 38 HA VAL 38 4.953 5.751 -3.595 325 HB VAL 38 HB VAL 38 2.837 4.670 -2.669 326 HG11 VAL 38 1HG1 VAL 38 4.846 4.411 -0.509 327 HG12 VAL 38 2HG1 VAL 38 5.470 4.178 -2.142 328 HG13 VAL 38 3HG1 VAL 38 4.147 3.172 -1.551 329 HG21 VAL 38 3HG2 VAL 38 3.604 6.129 -0.143 330 HG22 VAL 38 1HG2 VAL 38 2.144 5.196 -0.460 331 HG23 VAL 38 2HG2 VAL 38 2.386 6.757 -1.243 332 H GLY 39 H GLY 39 3.307 8.444 -2.172 333 HA2 GLY 39 2HA GLY 39 2.327 10.156 -3.612 334 HA3 GLY 39 1HA GLY 39 1.908 8.889 -4.764 335 H LEU 40 H LEU 40 1.339 8.717 -1.264 336 HA LEU 40 HA LEU 40 -1.547 9.297 -1.631 337 HB2 LEU 40 2HB LEU 40 -1.926 6.979 -0.441 338 HB3 LEU 40 1HB LEU 40 -1.652 7.012 -2.184 339 HG LEU 40 HG LEU 40 0.797 6.912 -0.560 340 HD11 LEU 40 1HD1 LEU 40 0.200 4.260 -0.499 341 HD12 LEU 40 2HD1 LEU 40 -1.395 4.950 -0.198 342 HD13 LEU 40 3HD1 LEU 40 -0.048 5.342 0.868 343 HD21 LEU 40 3HD2 LEU 40 1.037 4.909 -2.278 344 HD22 LEU 40 1HD2 LEU 40 1.166 6.576 -2.836 345 HD23 LEU 40 2HD2 LEU 40 -0.342 5.690 -3.050 346 H SER 41 H SER 41 -2.690 9.113 0.537 347 HA SER 41 HA SER 41 -1.101 10.366 2.639 348 HB2 SER 41 2HB SER 41 -3.921 9.485 2.159 349 HB3 SER 41 1HB SER 41 -3.420 9.758 3.826 350 HG SER 41 HG SER 41 -4.063 11.549 1.963 351 HA PRO 42 HA PRO 42 0.106 6.739 4.631 352 HB2 PRO 42 2HB PRO 42 0.133 7.513 7.250 353 HB3 PRO 42 1HB PRO 42 1.331 8.064 6.063 354 HG2 PRO 42 2HG PRO 42 -1.048 9.483 7.145 355 HG3 PRO 42 1HG PRO 42 0.547 10.117 6.713 356 HD2 PRO 42 2HD PRO 42 -1.701 10.344 5.134 357 HD3 PRO 42 1HD PRO 42 -0.033 10.414 4.524 358 H THR 43 H THR 43 -2.582 8.312 6.414 359 HA THR 43 HA THR 43 -3.669 6.232 7.839 360 HB THR 43 HB THR 43 -4.770 8.483 6.209 361 HG1 THR 43 1HG THR 43 -3.997 8.598 8.414 362 HG21 THR 43 3HG2 THR 43 -6.361 6.628 5.770 363 HG22 THR 43 1HG2 THR 43 -7.084 7.887 6.772 364 HG23 THR 43 2HG2 THR 43 -6.532 6.384 7.509 365 HA PRO 44 HA PRO 44 -5.618 4.270 3.955 366 HB2 PRO 44 2HB PRO 44 -5.010 5.327 1.505 367 HB3 PRO 44 1HB PRO 44 -6.373 5.901 2.484 368 HG2 PRO 44 2HG PRO 44 -3.686 7.112 2.084 369 HG3 PRO 44 1HG PRO 44 -5.260 7.896 2.287 370 HD2 PRO 44 2HD PRO 44 -3.360 7.655 4.277 371 HD3 PRO 44 1HD PRO 44 -5.095 7.901 4.559 372 H CYS 45 H CYS 45 -2.403 5.694 3.213 373 HA CYS 45 HA CYS 45 -1.196 3.772 1.641 374 HB2 CYS 45 2HB CYS 45 -0.097 5.773 2.629 375 HB3 CYS 45 1HB CYS 45 -0.107 4.985 4.204 376 HG CYS 45 HG CYS 45 2.140 4.205 3.411 377 H LEU 46 H LEU 46 -1.539 3.603 5.178 378 HA LEU 46 HA LEU 46 -0.565 0.961 5.543 379 HB2 LEU 46 2HB LEU 46 -2.749 2.533 6.956 380 HB3 LEU 46 1HB LEU 46 -1.902 1.134 7.628 381 HG LEU 46 HG LEU 46 0.048 2.980 6.652 382 HD11 LEU 46 1HD1 LEU 46 -2.255 4.354 7.410 383 HD12 LEU 46 2HD1 LEU 46 -0.629 5.031 7.307 384 HD13 LEU 46 3HD1 LEU 46 -1.232 4.414 8.846 385 HD21 LEU 46 3HD2 LEU 46 -0.662 2.462 9.539 386 HD22 LEU 46 1HD2 LEU 46 0.932 2.739 8.836 387 HD23 LEU 46 2HD2 LEU 46 0.086 1.221 8.536 388 H GLU 47 H GLU 47 -3.867 2.188 4.962 389 HA GLU 47 HA GLU 47 -5.332 -0.177 4.946 390 HB2 GLU 47 2HB GLU 47 -5.505 2.487 3.930 391 HB3 GLU 47 1HB GLU 47 -6.043 1.391 2.660 392 HG2 GLU 47 2HG GLU 47 -7.233 0.330 4.918 393 HG3 GLU 47 1HG GLU 47 -7.328 2.068 5.209 394 H ARG 48 H ARG 48 -3.171 1.119 2.447 395 HA ARG 48 HA ARG 48 -3.646 -0.990 0.513 396 HB2 ARG 48 2HB ARG 48 -1.198 0.775 0.799 397 HB3 ARG 48 1HB ARG 48 -1.883 0.116 -0.687 398 HG2 ARG 48 2HG ARG 48 -3.807 1.731 0.831 399 HG3 ARG 48 1HG ARG 48 -2.389 2.648 0.328 400 HD2 ARG 48 2HD ARG 48 -3.075 2.653 -1.834 401 HD3 ARG 48 1HD ARG 48 -3.362 0.903 -1.806 402 HE ARG 48 HE ARG 48 -5.319 2.663 -0.419 403 HH11 ARG 48 1HH2 ARG 48 -4.935 -0.288 -1.859 404 HH12 ARG 48 2HH2 ARG 48 -6.347 -0.208 -2.859 405 HH21 ARG 48 1HH1 ARG 48 -6.952 3.140 -2.197 406 HH22 ARG 48 2HH1 ARG 48 -7.488 1.731 -3.052 407 H VAL 49 H VAL 49 -1.063 -0.296 2.870 408 HA VAL 49 HA VAL 49 0.483 -2.665 2.370 409 HB VAL 49 HB VAL 49 0.497 -0.320 4.011 410 HG11 VAL 49 1HG1 VAL 49 -0.303 -1.577 5.906 411 HG12 VAL 49 2HG1 VAL 49 1.434 -1.390 6.119 412 HG13 VAL 49 3HG1 VAL 49 0.778 -2.923 5.548 413 HG21 VAL 49 3HG2 VAL 49 2.735 -0.544 3.677 414 HG22 VAL 49 1HG2 VAL 49 2.267 -1.858 2.597 415 HG23 VAL 49 2HG2 VAL 49 2.749 -2.211 4.253 416 H ARG 50 H ARG 50 -1.858 -1.881 4.962 417 HA ARG 50 HA ARG 50 -1.876 -4.254 6.389 418 HB2 ARG 50 2HB ARG 50 -4.346 -2.734 5.507 419 HB3 ARG 50 1HB ARG 50 -4.128 -3.621 7.014 420 HG2 ARG 50 2HG ARG 50 -2.008 -1.689 6.728 421 HG3 ARG 50 1HG ARG 50 -3.565 -0.885 6.533 422 HD2 ARG 50 2HD ARG 50 -2.605 -2.531 8.891 423 HD3 ARG 50 1HD ARG 50 -3.156 -0.844 8.881 424 HE ARG 50 HE ARG 50 -5.278 -2.361 7.827 425 HH11 ARG 50 1HH1 ARG 50 -5.528 -0.645 10.271 426 HH12 ARG 50 2HH1 ARG 50 -5.913 -1.809 11.495 427 HH21 ARG 50 1HH2 ARG 50 -4.879 -4.528 9.606 428 HH22 ARG 50 2HH2 ARG 50 -5.545 -4.009 11.119 429 H ARG 51 H ARG 51 -3.604 -3.547 3.376 430 HA ARG 51 HA ARG 51 -4.955 -6.007 3.017 431 HB2 ARG 51 2HB ARG 51 -5.487 -4.340 1.472 432 HB3 ARG 51 1HB ARG 51 -3.804 -3.847 1.279 433 HG2 ARG 51 2HG ARG 51 -4.773 -5.054 -0.722 434 HG3 ARG 51 1HG ARG 51 -3.314 -5.793 -0.064 435 HD2 ARG 51 2HD ARG 51 -4.534 -7.723 -0.018 436 HD3 ARG 51 1HD ARG 51 -5.345 -7.015 1.394 437 HE ARG 51 HE ARG 51 -6.957 -5.969 -0.287 438 HH11 ARG 51 1HH2 ARG 51 -6.166 -9.191 -0.189 439 HH12 ARG 51 2HH2 ARG 51 -6.775 -9.590 -1.761 440 HH21 ARG 51 1HH1 ARG 51 -7.291 -6.288 -2.689 441 HH22 ARG 51 2HH1 ARG 51 -7.412 -7.946 -3.177 442 H LEU 52 H LEU 52 -1.639 -5.046 2.099 443 HA LEU 52 HA LEU 52 -0.885 -7.563 0.943 444 HB2 LEU 52 2HB LEU 52 0.575 -5.227 2.182 445 HB3 LEU 52 1HB LEU 52 1.442 -6.602 1.496 446 HG LEU 52 HG LEU 52 -0.629 -4.992 -0.021 447 HD11 LEU 52 1HD1 LEU 52 0.957 -3.426 -0.317 448 HD12 LEU 52 2HD1 LEU 52 1.965 -4.645 -1.100 449 HD13 LEU 52 3HD1 LEU 52 2.106 -4.365 0.636 450 HD21 LEU 52 3HD2 LEU 52 0.874 -7.453 -0.502 451 HD22 LEU 52 1HD2 LEU 52 1.136 -6.254 -1.769 452 HD23 LEU 52 2HD2 LEU 52 -0.499 -6.790 -1.387 453 H GLU 53 H GLU 53 -1.391 -6.559 4.192 454 HA GLU 53 HA GLU 53 0.428 -8.393 5.513 455 HB2 GLU 53 2HB GLU 53 -1.215 -6.241 6.157 456 HB3 GLU 53 1HB GLU 53 -2.010 -7.605 6.942 457 HG2 GLU 53 2HG GLU 53 0.760 -7.934 7.405 458 HG3 GLU 53 1HG GLU 53 0.404 -6.236 7.721 459 H ARG 54 H ARG 54 -3.151 -8.424 5.227 460 HA ARG 54 HA ARG 54 -3.672 -10.963 6.267 461 HB2 ARG 54 2HB ARG 54 -5.657 -10.863 4.695 462 HB3 ARG 54 1HB ARG 54 -5.404 -9.391 5.632 463 HG2 ARG 54 2HG ARG 54 -4.667 -8.182 3.798 464 HG3 ARG 54 1HG ARG 54 -4.069 -9.618 2.963 465 HD2 ARG 54 2HD ARG 54 -6.163 -8.642 1.927 466 HD3 ARG 54 1HD ARG 54 -6.360 -10.324 2.457 467 HE ARG 54 HE ARG 54 -7.082 -8.116 4.330 468 HH11 ARG 54 1HH2 ARG 54 -8.254 -10.229 1.936 469 HH12 ARG 54 2HH2 ARG 54 -9.651 -10.722 2.834 470 HH21 ARG 54 1HH1 ARG 54 -8.732 -9.013 5.709 471 HH22 ARG 54 2HH1 ARG 54 -9.922 -10.032 4.970 472 H GLN 55 H GLN 55 -2.273 -10.147 3.141 473 HA GLN 55 HA GLN 55 -2.601 -12.845 2.035 474 HB2 GLN 55 2HB GLN 55 -1.249 -10.264 1.258 475 HB3 GLN 55 1HB GLN 55 -0.962 -11.734 0.327 476 HG2 GLN 55 2HG GLN 55 -3.706 -10.594 0.928 477 HG3 GLN 55 1HG GLN 55 -2.838 -10.360 -0.589 478 HE21 GLN 55 1HE2 GLN 55 -5.215 -12.247 0.733 479 HE22 GLN 55 2HE2 GLN 55 -5.013 -13.656 -0.192 480 H GLY 56 H GLY 56 -0.816 -11.926 4.550 481 HA2 GLY 56 2HA GLY 56 1.141 -12.751 5.547 482 HA3 GLY 56 1HA GLY 56 1.041 -14.085 4.397 483 H PHE 57 H PHE 57 1.500 -10.584 3.860 484 HA PHE 57 HA PHE 57 4.126 -11.238 2.565 485 HB2 PHE 57 2HB PHE 57 1.654 -10.182 1.488 486 HB3 PHE 57 1HB PHE 57 2.956 -9.011 1.279 487 HD1 PHE 57 2HD PHE 57 2.220 -12.663 0.867 488 HD2 PHE 57 1HD PHE 57 4.463 -9.262 -0.490 489 HE1 PHE 57 2HE PHE 57 3.141 -14.016 -0.998 490 HE2 PHE 57 1HE PHE 57 5.385 -10.615 -2.355 491 HZ PHE 57 HZ PHE 57 4.724 -12.992 -2.608 492 H ILE 58 H ILE 58 3.017 -9.884 5.208 493 HA ILE 58 HA ILE 58 4.952 -7.609 5.098 494 HB ILE 58 HB ILE 58 2.288 -7.405 6.494 495 HG12 ILE 58 2HG1 ILE 58 1.962 -8.030 4.054 496 HG13 ILE 58 1HG1 ILE 58 1.291 -6.462 4.505 497 HG21 ILE 58 1HG2 ILE 58 3.050 -5.335 6.949 498 HG22 ILE 58 2HG2 ILE 58 3.270 -5.016 5.228 499 HG23 ILE 58 3HG2 ILE 58 4.575 -5.747 6.163 500 HD11 ILE 58 3HD1 ILE 58 2.651 -5.390 3.064 501 HD12 ILE 58 1HD1 ILE 58 3.137 -6.969 2.446 502 HD13 ILE 58 2HD1 ILE 58 4.072 -6.197 3.727 503 H GLN 59 H GLN 59 5.551 -10.095 6.217 504 HA GLN 59 HA GLN 59 5.001 -10.006 9.109 505 HB2 GLN 59 2HB GLN 59 6.411 -12.075 9.043 506 HB3 GLN 59 1HB GLN 59 5.084 -12.129 7.884 507 HG2 GLN 59 2HG GLN 59 6.558 -12.405 6.209 508 HG3 GLN 59 1HG GLN 59 7.300 -10.857 6.611 509 HE21 GLN 59 1HE2 GLN 59 7.207 -13.931 8.490 510 HE22 GLN 59 2HE2 GLN 59 8.894 -14.083 8.606 511 H GLY 60 H GLY 60 7.277 -8.716 6.937 512 HA2 GLY 60 2HA GLY 60 9.020 -7.925 9.220 513 HA3 GLY 60 1HA GLY 60 9.756 -8.560 7.745 514 H TYR 61 H TYR 61 8.112 -7.368 5.817 515 HA TYR 61 HA TYR 61 9.249 -4.800 5.462 516 HB2 TYR 61 2HB TYR 61 6.632 -5.938 4.434 517 HB3 TYR 61 1HB TYR 61 7.537 -4.618 3.696 518 HD1 TYR 61 2HD TYR 61 10.119 -5.183 3.255 519 HD2 TYR 61 1HD TYR 61 6.970 -8.083 3.599 520 HE1 TYR 61 2HE TYR 61 11.494 -6.825 2.004 521 HE2 TYR 61 1HE TYR 61 8.345 -9.726 2.350 522 HH TYR 61 HH TYR 61 10.806 -9.016 0.483 523 H THR 62 H THR 62 5.818 -4.575 5.321 524 HA THR 62 HA THR 62 5.905 -2.363 7.241 525 HB THR 62 HB THR 62 3.326 -3.289 6.155 526 HG1 THR 62 1HG THR 62 4.385 -3.852 4.368 527 HG21 THR 62 3HG2 THR 62 3.111 -1.128 6.812 528 HG22 THR 62 1HG2 THR 62 3.806 -0.771 5.231 529 HG23 THR 62 2HG2 THR 62 4.841 -0.813 6.655 530 H ALA 63 H ALA 63 5.957 -5.489 7.832 531 HA ALA 63 HA ALA 63 3.790 -6.434 9.218 532 HB1 ALA 63 1HB ALA 63 6.009 -6.787 10.938 533 HB2 ALA 63 2HB ALA 63 6.675 -6.646 9.311 534 HB3 ALA 63 3HB ALA 63 5.470 -7.883 9.667 535 H LEU 64 H LEU 64 5.832 -3.725 10.135 536 HA LEU 64 HA LEU 64 4.981 -3.401 12.847 537 HB2 LEU 64 2HB LEU 64 5.781 -1.021 12.359 538 HB3 LEU 64 1HB LEU 64 6.939 -2.294 11.974 539 HG LEU 64 HG LEU 64 5.138 -1.771 9.741 540 HD11 LEU 64 1HD1 LEU 64 5.008 0.496 10.229 541 HD12 LEU 64 2HD1 LEU 64 6.506 0.455 9.301 542 HD13 LEU 64 3HD1 LEU 64 6.562 0.513 11.063 543 HD21 LEU 64 3HD2 LEU 64 8.117 -1.303 9.833 544 HD22 LEU 64 1HD2 LEU 64 7.139 -1.937 8.510 545 HD23 LEU 64 2HD2 LEU 64 7.471 -2.941 9.920 546 H LEU 65 H LEU 65 4.255 -0.458 11.611 547 HA LEU 65 HA LEU 65 2.215 0.739 11.679 548 HB2 LEU 65 2HB LEU 65 1.248 0.389 9.617 549 HB3 LEU 65 1HB LEU 65 2.650 -0.649 9.397 550 HG LEU 65 HG LEU 65 0.885 -2.349 10.656 551 HD11 LEU 65 1HD1 LEU 65 -0.850 -1.171 8.558 552 HD12 LEU 65 2HD1 LEU 65 -0.731 -0.254 10.059 553 HD13 LEU 65 3HD1 LEU 65 -1.291 -1.926 10.090 554 HD21 LEU 65 3HD2 LEU 65 0.467 -2.454 7.807 555 HD22 LEU 65 1HD2 LEU 65 1.441 -3.522 8.817 556 HD23 LEU 65 2HD2 LEU 65 2.153 -2.058 8.139 557 H ASN 66 H ASN 66 2.467 -1.493 13.690 558 HA ASN 66 HA ASN 66 -0.384 -1.607 14.435 559 HB2 ASN 66 2HB ASN 66 0.481 -3.540 12.789 560 HB3 ASN 66 1HB ASN 66 1.042 -4.234 14.310 561 HD21 ASN 66 1HD2 ASN 66 -1.943 -2.602 13.077 562 HD22 ASN 66 2HD2 ASN 66 -3.015 -3.662 13.856 Start of MODEL 20 1 H1 MET 1 1HT MET 1 18.552 -10.609 -1.609 2 H2 MET 1 2HT MET 1 18.471 -10.957 0.052 3 H3 MET 1 3HT MET 1 18.228 -9.369 -0.498 4 HA MET 1 HA MET 1 16.061 -9.717 -0.865 5 HB2 MET 1 2HB MET 1 17.166 -12.199 -2.213 6 HB3 MET 1 1HB MET 1 15.455 -11.773 -2.251 7 HG2 MET 1 2HG MET 1 15.959 -9.655 -3.341 8 HG3 MET 1 1HG MET 1 17.691 -9.955 -3.195 9 HE1 MET 1 2HE MET 1 14.727 -12.496 -5.590 10 HE2 MET 1 3HE MET 1 14.394 -10.794 -5.281 11 HE3 MET 1 1HE MET 1 14.583 -11.920 -3.931 12 H VAL 2 H VAL 2 14.455 -10.479 0.513 13 HA VAL 2 HA VAL 2 15.278 -12.444 2.573 14 HB VAL 2 HB VAL 2 12.756 -10.783 2.278 15 HG11 VAL 2 1HG1 VAL 2 14.065 -11.811 4.801 16 HG12 VAL 2 2HG1 VAL 2 12.864 -12.757 3.921 17 HG13 VAL 2 3HG1 VAL 2 12.427 -11.189 4.599 18 HG21 VAL 2 3HG2 VAL 2 14.089 -8.990 2.608 19 HG22 VAL 2 1HG2 VAL 2 15.502 -10.015 2.857 20 HG23 VAL 2 2HG2 VAL 2 14.435 -9.640 4.210 21 H ASP 3 H ASP 3 13.098 -12.162 -0.167 22 HA ASP 3 HA ASP 3 12.577 -15.037 -0.133 23 HB2 ASP 3 2HB ASP 3 10.894 -13.213 1.307 24 HB3 ASP 3 1HB ASP 3 9.980 -13.851 -0.060 25 H SER 4 H SER 4 10.455 -12.406 -1.252 26 HA SER 4 HA SER 4 11.431 -12.173 -3.913 27 HB2 SER 4 2HB SER 4 9.553 -13.717 -4.893 28 HB3 SER 4 1HB SER 4 11.029 -14.461 -4.282 29 HG SER 4 HG SER 4 9.680 -15.537 -3.076 30 H LYS 5 H LYS 5 10.423 -10.357 -4.676 31 HA LYS 5 HA LYS 5 7.992 -9.358 -3.349 32 HB2 LYS 5 2HB LYS 5 10.228 -8.392 -4.953 33 HB3 LYS 5 1HB LYS 5 8.698 -7.721 -5.519 34 HG2 LYS 5 2HG LYS 5 8.202 -6.775 -3.398 35 HG3 LYS 5 1HG LYS 5 9.435 -7.744 -2.591 36 HD2 LYS 5 2HD LYS 5 9.907 -5.491 -4.566 37 HD3 LYS 5 1HD LYS 5 10.283 -5.478 -2.841 38 HE2 LYS 5 2HE LYS 5 12.352 -6.217 -3.446 39 HE3 LYS 5 1HE LYS 5 11.572 -7.774 -3.789 40 HZ1 LYS 5 3HZ LYS 5 12.192 -5.563 -5.636 41 HZ2 LYS 5 1HZ LYS 5 10.886 -6.593 -5.974 42 HZ3 LYS 5 2HZ LYS 5 12.456 -7.229 -5.837 43 H LYS 6 H LYS 6 7.311 -11.712 -4.642 44 HA LYS 6 HA LYS 6 6.166 -10.970 -7.281 45 HB2 LYS 6 2HB LYS 6 6.575 -13.531 -5.733 46 HB3 LYS 6 1HB LYS 6 5.650 -13.484 -7.235 47 HG2 LYS 6 2HG LYS 6 7.525 -12.845 -8.512 48 HG3 LYS 6 1HG LYS 6 8.422 -12.309 -7.091 49 HD2 LYS 6 2HD LYS 6 9.414 -14.383 -7.614 50 HD3 LYS 6 1HD LYS 6 8.274 -14.786 -6.330 51 HE2 LYS 6 2HE LYS 6 7.495 -16.359 -7.795 52 HE3 LYS 6 1HE LYS 6 6.712 -14.993 -8.611 53 HZ1 LYS 6 3HZ LYS 6 9.545 -15.692 -9.105 54 HZ2 LYS 6 1HZ LYS 6 8.522 -14.723 -10.049 55 HZ3 LYS 6 2HZ LYS 6 8.289 -16.405 -9.999 56 H ARG 7 H ARG 7 5.028 -12.674 -4.358 57 HA ARG 7 HA ARG 7 2.803 -12.884 -3.536 58 HB2 ARG 7 2HB ARG 7 2.618 -9.963 -4.284 59 HB3 ARG 7 1HB ARG 7 2.089 -10.757 -2.802 60 HG2 ARG 7 2HG ARG 7 4.019 -10.040 -1.877 61 HG3 ARG 7 1HG ARG 7 4.819 -11.268 -2.856 62 HD2 ARG 7 2HD ARG 7 5.722 -8.867 -3.092 63 HD3 ARG 7 1HD ARG 7 5.296 -9.680 -4.608 64 HE ARG 7 HE ARG 7 3.071 -8.218 -3.386 65 HH11 ARG 7 1HH2 ARG 7 5.173 -6.157 -3.836 66 HH12 ARG 7 2HH2 ARG 7 4.878 -5.673 -5.472 67 HH21 ARG 7 1HH1 ARG 7 2.947 -8.452 -6.225 68 HH22 ARG 7 2HH1 ARG 7 3.618 -6.975 -6.827 69 HA PRO 8 HA PRO 8 -0.230 -12.856 -6.748 70 HB2 PRO 8 2HB PRO 8 -2.329 -11.228 -6.089 71 HB3 PRO 8 1HB PRO 8 -2.009 -12.773 -5.281 72 HG2 PRO 8 2HG PRO 8 -1.500 -10.010 -4.347 73 HG3 PRO 8 1HG PRO 8 -1.899 -11.462 -3.420 74 HD2 PRO 8 2HD PRO 8 0.635 -10.344 -3.678 75 HD3 PRO 8 1HD PRO 8 0.291 -11.994 -3.125 76 H GLY 9 H GLY 9 1.812 -11.171 -7.479 77 HA2 GLY 9 2HA GLY 9 1.319 -8.527 -8.185 78 HA3 GLY 9 1HA GLY 9 2.286 -9.616 -9.181 79 H LYS 10 H LYS 10 0.132 -11.456 -9.784 80 HA LYS 10 HA LYS 10 -0.951 -10.292 -12.132 81 HB2 LYS 10 2HB LYS 10 -0.730 -12.705 -11.689 82 HB3 LYS 10 1HB LYS 10 -1.928 -12.584 -10.399 83 HG2 LYS 10 2HG LYS 10 -3.382 -11.504 -12.363 84 HG3 LYS 10 1HG LYS 10 -2.312 -12.491 -13.358 85 HD2 LYS 10 2HD LYS 10 -3.608 -14.267 -12.877 86 HD3 LYS 10 1HD LYS 10 -3.069 -14.136 -11.201 87 HE2 LYS 10 2HE LYS 10 -5.080 -12.131 -11.684 88 HE3 LYS 10 1HE LYS 10 -5.698 -13.717 -12.186 89 HZ1 LYS 10 3HZ LYS 10 -5.750 -13.004 -9.677 90 HZ2 LYS 10 1HZ LYS 10 -4.139 -13.533 -9.709 91 HZ3 LYS 10 2HZ LYS 10 -5.392 -14.605 -10.117 92 H ASP 11 H ASP 11 -1.864 -9.899 -8.864 93 HA ASP 11 HA ASP 11 -4.202 -8.267 -9.683 94 HB2 ASP 11 2HB ASP 11 -4.258 -10.918 -8.453 95 HB3 ASP 11 1HB ASP 11 -5.110 -9.723 -7.475 96 H LEU 12 H LEU 12 -2.569 -6.631 -8.925 97 HA LEU 12 HA LEU 12 -2.834 -6.206 -5.992 98 HB2 LEU 12 2HB LEU 12 -0.520 -7.166 -7.404 99 HB3 LEU 12 1HB LEU 12 -0.168 -5.562 -6.755 100 HG LEU 12 HG LEU 12 -1.518 -7.622 -5.028 101 HD11 LEU 12 1HD1 LEU 12 1.234 -7.607 -4.407 102 HD12 LEU 12 2HD1 LEU 12 1.139 -7.821 -6.155 103 HD13 LEU 12 3HD1 LEU 12 0.303 -8.944 -5.081 104 HD21 LEU 12 3HD2 LEU 12 -1.478 -5.507 -3.998 105 HD22 LEU 12 1HD2 LEU 12 0.109 -5.112 -4.659 106 HD23 LEU 12 2HD2 LEU 12 -0.033 -6.283 -3.347 107 H ASP 13 H ASP 13 -2.986 -4.012 -5.491 108 HA ASP 13 HA ASP 13 -3.437 -2.111 -7.618 109 HB2 ASP 13 2HB ASP 13 -4.295 -2.301 -5.138 110 HB3 ASP 13 1HB ASP 13 -2.834 -1.389 -4.760 111 H ARG 14 H ARG 14 -2.208 0.078 -7.530 112 HA ARG 14 HA ARG 14 0.615 -0.482 -8.010 113 HB2 ARG 14 2HB ARG 14 -0.959 2.114 -7.969 114 HB3 ARG 14 1HB ARG 14 0.604 1.860 -8.745 115 HG2 ARG 14 2HG ARG 14 -2.064 0.655 -9.506 116 HG3 ARG 14 1HG ARG 14 -1.013 1.673 -10.491 117 HD2 ARG 14 2HD ARG 14 0.747 -0.244 -10.159 118 HD3 ARG 14 1HD ARG 14 -0.672 -1.230 -9.753 119 HE ARG 14 HE ARG 14 -1.633 -0.516 -11.970 120 HH11 ARG 14 1HH1 ARG 14 1.554 -1.440 -11.590 121 HH12 ARG 14 2HH1 ARG 14 2.093 -0.885 -13.139 122 HH21 ARG 14 1HH2 ARG 14 -0.868 0.762 -13.876 123 HH22 ARG 14 2HH2 ARG 14 0.723 0.364 -14.432 124 H ILE 15 H ILE 15 -1.292 0.767 -5.373 125 HA ILE 15 HA ILE 15 0.899 2.165 -4.040 126 HB ILE 15 HB ILE 15 -1.714 1.156 -2.898 127 HG12 ILE 15 2HG1 ILE 15 -2.311 2.282 -4.934 128 HG13 ILE 15 1HG1 ILE 15 -2.567 3.445 -3.632 129 HG21 ILE 15 1HG2 ILE 15 -0.758 2.170 -1.097 130 HG22 ILE 15 2HG2 ILE 15 -1.230 3.664 -1.910 131 HG23 ILE 15 3HG2 ILE 15 0.411 3.041 -2.091 132 HD11 ILE 15 3HD1 ILE 15 0.075 3.873 -4.271 133 HD12 ILE 15 1HD1 ILE 15 -1.274 4.833 -4.878 134 HD13 ILE 15 2HD1 ILE 15 -0.630 3.508 -5.846 135 H ASP 16 H ASP 16 -0.473 -1.078 -3.965 136 HA ASP 16 HA ASP 16 0.969 -1.854 -1.530 137 HB2 ASP 16 2HB ASP 16 -0.592 -3.335 -3.672 138 HB3 ASP 16 1HB ASP 16 0.047 -4.109 -2.222 139 H ARG 17 H ARG 17 1.327 -2.355 -5.042 140 HA ARG 17 HA ARG 17 3.584 -4.116 -4.896 141 HB2 ARG 17 2HB ARG 17 1.995 -2.677 -6.840 142 HB3 ARG 17 1HB ARG 17 3.705 -2.577 -7.260 143 HG2 ARG 17 2HG ARG 17 3.786 -5.113 -6.853 144 HG3 ARG 17 1HG ARG 17 2.023 -5.057 -6.874 145 HD2 ARG 17 2HD ARG 17 2.068 -5.080 -9.138 146 HD3 ARG 17 1HD ARG 17 2.983 -3.558 -9.124 147 HE ARG 17 HE ARG 17 4.696 -5.778 -8.436 148 HH11 ARG 17 1HH2 ARG 17 4.492 -3.336 -10.584 149 HH12 ARG 17 2HH2 ARG 17 5.011 -4.221 -11.980 150 HH21 ARG 17 1HH1 ARG 17 4.765 -7.316 -10.438 151 HH22 ARG 17 2HH1 ARG 17 5.166 -6.473 -11.897 152 H ASN 18 H ASN 18 3.406 -0.618 -5.507 153 HA ASN 18 HA ASN 18 6.230 -0.167 -5.512 154 HB2 ASN 18 2HB ASN 18 3.730 1.457 -5.083 155 HB3 ASN 18 1HB ASN 18 5.305 2.209 -4.832 156 HD21 ASN 18 1HD2 ASN 18 5.117 -0.352 -7.205 157 HD22 ASN 18 2HD2 ASN 18 5.204 0.644 -8.577 158 H ILE 19 H ILE 19 3.784 -0.120 -2.938 159 HA ILE 19 HA ILE 19 5.501 0.796 -0.837 160 HB ILE 19 HB ILE 19 2.920 -0.728 -1.095 161 HG12 ILE 19 2HG1 ILE 19 3.694 1.881 0.253 162 HG13 ILE 19 1HG1 ILE 19 2.971 1.737 -1.350 163 HG21 ILE 19 1HG2 ILE 19 2.946 -0.322 1.549 164 HG22 ILE 19 2HG2 ILE 19 4.678 -0.546 1.312 165 HG23 ILE 19 3HG2 ILE 19 3.552 -1.818 0.838 166 HD11 ILE 19 3HD1 ILE 19 1.075 0.440 -0.180 167 HD12 ILE 19 1HD1 ILE 19 1.137 2.182 0.085 168 HD13 ILE 19 2HD1 ILE 19 1.735 1.078 1.324 169 H LEU 20 H LEU 20 4.762 -2.443 -2.127 170 HA LEU 20 HA LEU 20 6.270 -3.891 -0.117 171 HB2 LEU 20 2HB LEU 20 5.082 -4.389 -2.835 172 HB3 LEU 20 1HB LEU 20 6.182 -5.590 -2.158 173 HG LEU 20 HG LEU 20 3.646 -4.542 -0.868 174 HD11 LEU 20 1HD1 LEU 20 3.060 -7.023 -1.028 175 HD12 LEU 20 2HD1 LEU 20 4.449 -7.186 -2.101 176 HD13 LEU 20 3HD1 LEU 20 3.100 -6.146 -2.558 177 HD21 LEU 20 3HD2 LEU 20 4.649 -6.800 0.495 178 HD22 LEU 20 1HD2 LEU 20 4.585 -5.142 1.091 179 HD23 LEU 20 2HD2 LEU 20 6.030 -5.727 0.266 180 H ASN 21 H ASN 21 7.016 -2.525 -3.317 181 HA ASN 21 HA ASN 21 9.700 -3.609 -3.482 182 HB2 ASN 21 2HB ASN 21 8.123 -1.392 -4.802 183 HB3 ASN 21 1HB ASN 21 9.819 -1.666 -5.205 184 HD21 ASN 21 1HD2 ASN 21 8.702 -2.182 -7.417 185 HD22 ASN 21 2HD2 ASN 21 8.215 -3.791 -7.660 186 H GLU 22 H GLU 22 8.242 -0.746 -2.048 187 HA GLU 22 HA GLU 22 10.809 0.581 -1.549 188 HB2 GLU 22 2HB GLU 22 8.016 1.092 -0.479 189 HB3 GLU 22 1HB GLU 22 9.366 2.228 -0.447 190 HG2 GLU 22 2HG GLU 22 8.737 1.111 -3.113 191 HG3 GLU 22 1HG GLU 22 7.495 2.160 -2.429 192 H LEU 23 H LEU 23 8.594 -1.558 0.155 193 HA LEU 23 HA LEU 23 9.654 -1.160 2.802 194 HB2 LEU 23 2HB LEU 23 7.717 -2.750 1.413 195 HB3 LEU 23 1HB LEU 23 8.714 -3.834 2.383 196 HG LEU 23 HG LEU 23 6.956 -3.147 3.835 197 HD11 LEU 23 1HD1 LEU 23 8.147 -2.175 5.604 198 HD12 LEU 23 2HD1 LEU 23 9.056 -1.108 4.537 199 HD13 LEU 23 3HD1 LEU 23 9.441 -2.829 4.602 200 HD21 LEU 23 3HD2 LEU 23 7.295 -0.263 3.765 201 HD22 LEU 23 1HD2 LEU 23 5.828 -1.216 3.546 202 HD23 LEU 23 2HD2 LEU 23 6.879 -0.889 2.170 203 H GLN 24 H GLN 24 10.497 -3.316 0.113 204 HA GLN 24 HA GLN 24 12.540 -4.764 1.620 205 HB2 GLN 24 2HB GLN 24 11.730 -4.515 -1.291 206 HB3 GLN 24 1HB GLN 24 13.055 -5.554 -0.767 207 HG2 GLN 24 2HG GLN 24 10.646 -5.920 0.850 208 HG3 GLN 24 1HG GLN 24 10.375 -6.275 -0.856 209 HE21 GLN 24 1HE2 GLN 24 13.401 -6.716 1.029 210 HE22 GLN 24 2HE2 GLN 24 13.488 -8.393 0.787 211 H LYS 25 H LYS 25 12.503 -2.156 -0.823 212 HA LYS 25 HA LYS 25 15.400 -1.862 -0.859 213 HB2 LYS 25 2HB LYS 25 14.807 -0.709 -2.721 214 HB3 LYS 25 1HB LYS 25 13.118 -1.002 -2.311 215 HG2 LYS 25 2HG LYS 25 13.011 1.044 -1.016 216 HG3 LYS 25 1HG LYS 25 14.747 1.299 -1.191 217 HD2 LYS 25 2HD LYS 25 14.514 1.620 -3.587 218 HD3 LYS 25 1HD LYS 25 12.804 1.200 -3.514 219 HE2 LYS 25 2HE LYS 25 12.671 3.184 -1.783 220 HE3 LYS 25 1HE LYS 25 14.174 3.705 -2.572 221 HZ1 LYS 25 3HZ LYS 25 12.406 4.617 -3.835 222 HZ2 LYS 25 1HZ LYS 25 11.551 3.151 -3.846 223 HZ3 LYS 25 2HZ LYS 25 12.993 3.300 -4.734 224 H ASP 26 H ASP 26 12.753 -0.454 0.966 225 HA ASP 26 HA ASP 26 14.785 1.039 2.566 226 HB2 ASP 26 2HB ASP 26 12.349 1.944 1.121 227 HB3 ASP 26 1HB ASP 26 12.589 2.631 2.728 228 H GLY 27 H GLY 27 14.020 -1.424 3.429 229 HA2 GLY 27 2HA GLY 27 11.629 -1.695 4.886 230 HA3 GLY 27 1HA GLY 27 13.142 -2.488 5.327 231 H ARG 28 H ARG 28 12.149 -2.004 7.558 232 HA ARG 28 HA ARG 28 12.222 -0.747 9.556 233 HB2 ARG 28 2HB ARG 28 14.400 0.739 8.068 234 HB3 ARG 28 1HB ARG 28 14.285 0.463 9.806 235 HG2 ARG 28 2HG ARG 28 15.578 -1.359 9.479 236 HG3 ARG 28 1HG ARG 28 14.173 -2.097 8.710 237 HD2 ARG 28 2HD ARG 28 15.113 -0.591 6.639 238 HD3 ARG 28 1HD ARG 28 16.628 -0.995 7.468 239 HE ARG 28 HE ARG 28 14.688 -2.969 6.373 240 HH11 ARG 28 1HH2 ARG 28 17.884 -2.232 6.406 241 HH12 ARG 28 2HH2 ARG 28 18.455 -3.782 6.927 242 HH21 ARG 28 1HH1 ARG 28 15.301 -4.965 7.744 243 HH22 ARG 28 2HH1 ARG 28 16.993 -5.329 7.685 244 H ILE 29 H ILE 29 10.808 0.337 6.948 245 HA ILE 29 HA ILE 29 10.668 3.216 7.719 246 HB ILE 29 HB ILE 29 11.170 2.688 5.384 247 HG12 ILE 29 2HG1 ILE 29 8.267 3.527 5.548 248 HG13 ILE 29 1HG1 ILE 29 9.604 4.597 5.970 249 HG21 ILE 29 1HG2 ILE 29 9.397 1.472 4.037 250 HG22 ILE 29 2HG2 ILE 29 8.643 1.028 5.570 251 HG23 ILE 29 3HG2 ILE 29 10.270 0.464 5.192 252 HD11 ILE 29 3HD1 ILE 29 9.730 5.137 3.785 253 HD12 ILE 29 1HD1 ILE 29 8.610 3.849 3.342 254 HD13 ILE 29 2HD1 ILE 29 10.332 3.503 3.499 255 H SER 30 H SER 30 8.840 4.017 8.662 256 HA SER 30 HA SER 30 6.789 2.189 9.582 257 HB2 SER 30 2HB SER 30 6.967 5.216 9.604 258 HB3 SER 30 1HB SER 30 5.909 4.243 10.622 259 HG SER 30 HG SER 30 8.311 4.985 11.194 260 H ASN 31 H ASN 31 4.865 4.653 9.097 261 HA ASN 31 HA ASN 31 3.900 3.676 6.428 262 HB2 ASN 31 2HB ASN 31 1.686 4.494 7.342 263 HB3 ASN 31 1HB ASN 31 2.410 3.198 8.296 264 HD21 ASN 31 1HD2 ASN 31 0.574 4.886 9.576 265 HD22 ASN 31 2HD2 ASN 31 1.390 5.900 10.666 266 H VAL 32 H VAL 32 4.121 6.639 8.465 267 HA VAL 32 HA VAL 32 3.243 8.595 6.709 268 HB VAL 32 HB VAL 32 5.551 8.418 8.647 269 HG11 VAL 32 1HG1 VAL 32 6.540 10.169 7.593 270 HG12 VAL 32 2HG1 VAL 32 5.188 11.129 8.192 271 HG13 VAL 32 3HG1 VAL 32 5.134 10.449 6.566 272 HG21 VAL 32 3HG2 VAL 32 3.946 9.045 10.099 273 HG22 VAL 32 1HG2 VAL 32 2.767 8.956 8.791 274 HG23 VAL 32 2HG2 VAL 32 3.594 10.476 9.131 275 H GLU 33 H GLU 33 6.722 7.742 6.892 276 HA GLU 33 HA GLU 33 7.451 8.852 4.382 277 HB2 GLU 33 2HB GLU 33 8.692 7.645 6.493 278 HB3 GLU 33 1HB GLU 33 8.780 6.352 5.296 279 HG2 GLU 33 2HG GLU 33 10.756 7.636 4.966 280 HG3 GLU 33 1HG GLU 33 9.665 8.131 3.672 281 H LEU 34 H LEU 34 5.859 5.880 5.265 282 HA LEU 34 HA LEU 34 6.233 4.528 2.713 283 HB2 LEU 34 2HB LEU 34 5.546 3.845 5.272 284 HB3 LEU 34 1HB LEU 34 3.973 3.816 4.474 285 HG LEU 34 HG LEU 34 6.435 2.388 3.433 286 HD11 LEU 34 1HD1 LEU 34 5.995 0.767 4.932 287 HD12 LEU 34 2HD1 LEU 34 4.386 0.588 4.234 288 HD13 LEU 34 3HD1 LEU 34 4.644 1.701 5.575 289 HD21 LEU 34 3HD2 LEU 34 3.590 2.696 2.548 290 HD22 LEU 34 1HD2 LEU 34 4.397 1.157 2.250 291 HD23 LEU 34 2HD2 LEU 34 5.062 2.646 1.579 292 H SER 35 H SER 35 4.103 6.927 3.973 293 HA SER 35 HA SER 35 1.949 6.406 2.027 294 HB2 SER 35 2HB SER 35 0.759 7.894 3.359 295 HB3 SER 35 1HB SER 35 1.900 7.223 4.525 296 HG SER 35 HG SER 35 2.156 9.356 4.766 297 H LYS 36 H LYS 36 4.258 9.035 2.759 298 HA LYS 36 HA LYS 36 3.489 10.606 0.431 299 HB2 LYS 36 2HB LYS 36 4.214 11.761 2.364 300 HB3 LYS 36 1HB LYS 36 5.592 10.688 2.593 301 HG2 LYS 36 2HG LYS 36 6.364 11.617 0.264 302 HG3 LYS 36 1HG LYS 36 5.255 12.939 0.631 303 HD2 LYS 36 2HD LYS 36 7.504 11.991 2.432 304 HD3 LYS 36 1HD LYS 36 7.552 13.436 1.420 305 HE2 LYS 36 2HE LYS 36 5.257 13.945 2.730 306 HE3 LYS 36 1HE LYS 36 6.067 12.957 3.961 307 HZ1 LYS 36 3HZ LYS 36 6.772 15.225 4.218 308 HZ2 LYS 36 1HZ LYS 36 7.177 15.340 2.574 309 HZ3 LYS 36 2HZ LYS 36 8.077 14.328 3.601 310 H ARG 37 H ARG 37 5.935 8.161 1.074 311 HA ARG 37 HA ARG 37 7.655 8.892 -1.152 312 HB2 ARG 37 2HB ARG 37 8.887 6.976 -0.480 313 HB3 ARG 37 1HB ARG 37 8.175 7.589 1.011 314 HG2 ARG 37 2HG ARG 37 6.309 5.970 0.768 315 HG3 ARG 37 1HG ARG 37 7.072 5.334 -0.691 316 HD2 ARG 37 2HD ARG 37 9.141 4.870 0.720 317 HD3 ARG 37 1HD ARG 37 8.148 5.238 2.142 318 HE ARG 37 HE ARG 37 6.616 3.447 0.644 319 HH11 ARG 37 1HH1 ARG 37 9.926 3.415 1.545 320 HH12 ARG 37 2HH1 ARG 37 9.916 1.762 2.060 321 HH21 ARG 37 1HH2 ARG 37 6.518 1.339 1.536 322 HH22 ARG 37 2HH2 ARG 37 7.989 0.588 2.054 323 H VAL 38 H VAL 38 4.682 7.235 -0.917 324 HA VAL 38 HA VAL 38 5.111 5.913 -3.563 325 HB VAL 38 HB VAL 38 2.844 4.821 -2.747 326 HG11 VAL 38 1HG1 VAL 38 4.462 3.222 -2.833 327 HG12 VAL 38 2HG1 VAL 38 4.521 3.443 -1.084 328 HG13 VAL 38 3HG1 VAL 38 5.679 4.280 -2.117 329 HG21 VAL 38 3HG2 VAL 38 2.611 4.758 -0.342 330 HG22 VAL 38 1HG2 VAL 38 2.686 6.452 -0.826 331 HG23 VAL 38 2HG2 VAL 38 4.102 5.672 -0.130 332 H GLY 39 H GLY 39 3.644 8.580 -2.085 333 HA2 GLY 39 2HA GLY 39 2.582 10.341 -3.320 334 HA3 GLY 39 1HA GLY 39 2.205 9.184 -4.595 335 H LEU 40 H LEU 40 1.516 8.924 -1.098 336 HA LEU 40 HA LEU 40 -1.367 9.393 -1.578 337 HB2 LEU 40 2HB LEU 40 -1.778 7.059 -0.508 338 HB3 LEU 40 1HB LEU 40 -1.309 7.114 -2.208 339 HG LEU 40 HG LEU 40 1.029 7.111 -0.522 340 HD11 LEU 40 1HD1 LEU 40 0.748 5.280 0.830 341 HD12 LEU 40 2HD1 LEU 40 -0.391 4.512 -0.271 342 HD13 LEU 40 3HD1 LEU 40 -0.933 5.811 0.791 343 HD21 LEU 40 3HD2 LEU 40 1.198 4.828 -1.874 344 HD22 LEU 40 1HD2 LEU 40 1.389 6.378 -2.692 345 HD23 LEU 40 2HD2 LEU 40 -0.153 5.525 -2.766 346 H SER 41 H SER 41 -2.600 9.180 0.513 347 HA SER 41 HA SER 41 -1.161 10.423 2.718 348 HB2 SER 41 2HB SER 41 -3.917 9.521 2.032 349 HB3 SER 41 1HB SER 41 -3.542 9.675 3.747 350 HG SER 41 HG SER 41 -3.794 11.730 3.465 351 HA PRO 42 HA PRO 42 0.056 6.802 4.705 352 HB2 PRO 42 2HB PRO 42 0.015 7.573 7.326 353 HB3 PRO 42 1HB PRO 42 1.237 8.131 6.165 354 HG2 PRO 42 2HG PRO 42 -1.170 9.536 7.201 355 HG3 PRO 42 1HG PRO 42 0.426 10.180 6.788 356 HD2 PRO 42 2HD PRO 42 -1.808 10.378 5.179 357 HD3 PRO 42 1HD PRO 42 -0.132 10.478 4.597 358 H THR 43 H THR 43 -2.707 8.333 6.410 359 HA THR 43 HA THR 43 -3.785 6.235 7.821 360 HB THR 43 HB THR 43 -4.851 8.499 6.208 361 HG1 THR 43 1HG THR 43 -5.029 9.193 8.158 362 HG21 THR 43 3HG2 THR 43 -7.212 7.812 6.700 363 HG22 THR 43 1HG2 THR 43 -6.608 6.227 7.181 364 HG23 THR 43 2HG2 THR 43 -6.422 6.772 5.514 365 HA PRO 44 HA PRO 44 -5.599 4.235 3.902 366 HB2 PRO 44 2HB PRO 44 -4.989 5.326 1.465 367 HB3 PRO 44 1HB PRO 44 -6.383 5.849 2.432 368 HG2 PRO 44 2HG PRO 44 -3.743 7.155 2.053 369 HG3 PRO 44 1HG PRO 44 -5.341 7.880 2.279 370 HD2 PRO 44 2HD PRO 44 -3.406 7.653 4.252 371 HD3 PRO 44 1HD PRO 44 -5.141 7.885 4.545 372 H CYS 45 H CYS 45 -2.416 5.748 3.174 373 HA CYS 45 HA CYS 45 -1.134 3.878 1.612 374 HB2 CYS 45 2HB CYS 45 -0.060 5.855 2.609 375 HB3 CYS 45 1HB CYS 45 -0.162 5.117 4.206 376 HG CYS 45 HG CYS 45 1.915 3.875 3.718 377 H LEU 46 H LEU 46 -1.464 3.623 5.153 378 HA LEU 46 HA LEU 46 -0.465 0.991 5.453 379 HB2 LEU 46 2HB LEU 46 -2.692 2.486 6.879 380 HB3 LEU 46 1HB LEU 46 -1.854 1.067 7.515 381 HG LEU 46 HG LEU 46 0.115 2.946 6.657 382 HD11 LEU 46 1HD1 LEU 46 -1.160 4.346 8.850 383 HD12 LEU 46 2HD1 LEU 46 -2.233 4.269 7.454 384 HD13 LEU 46 3HD1 LEU 46 -0.626 4.974 7.289 385 HD21 LEU 46 3HD2 LEU 46 0.739 1.483 8.361 386 HD22 LEU 46 1HD2 LEU 46 -0.787 1.678 9.225 387 HD23 LEU 46 2HD2 LEU 46 0.427 2.957 9.279 388 H GLU 47 H GLU 47 -3.806 2.151 4.931 389 HA GLU 47 HA GLU 47 -5.239 -0.207 4.797 390 HB2 GLU 47 2HB GLU 47 -5.430 2.458 3.864 391 HB3 GLU 47 1HB GLU 47 -5.817 1.428 2.488 392 HG2 GLU 47 2HG GLU 47 -7.029 0.708 5.113 393 HG3 GLU 47 1HG GLU 47 -7.666 2.135 4.295 394 H ARG 48 H ARG 48 -2.986 1.104 2.395 395 HA ARG 48 HA ARG 48 -3.391 -1.001 0.436 396 HB2 ARG 48 2HB ARG 48 -1.011 0.840 0.830 397 HB3 ARG 48 1HB ARG 48 -1.549 0.106 -0.680 398 HG2 ARG 48 2HG ARG 48 -3.543 1.782 0.763 399 HG3 ARG 48 1HG ARG 48 -2.194 2.632 0.012 400 HD2 ARG 48 2HD ARG 48 -3.071 2.326 -2.057 401 HD3 ARG 48 1HD ARG 48 -3.278 0.588 -1.766 402 HE ARG 48 HE ARG 48 -5.206 2.609 -0.681 403 HH11 ARG 48 1HH2 ARG 48 -5.569 1.259 -3.438 404 HH12 ARG 48 2HH2 ARG 48 -6.691 0.005 -3.024 405 HH21 ARG 48 1HH1 ARG 48 -6.159 0.293 0.392 406 HH22 ARG 48 2HH1 ARG 48 -7.024 -0.543 -0.855 407 H VAL 49 H VAL 49 -0.839 -0.253 2.818 408 HA VAL 49 HA VAL 49 0.731 -2.612 2.394 409 HB VAL 49 HB VAL 49 0.761 -0.247 3.923 410 HG11 VAL 49 1HG1 VAL 49 1.193 -0.952 6.201 411 HG12 VAL 49 2HG1 VAL 49 0.987 -2.649 5.762 412 HG13 VAL 49 3HG1 VAL 49 -0.393 -1.554 5.727 413 HG21 VAL 49 3HG2 VAL 49 3.040 -0.711 4.106 414 HG22 VAL 49 1HG2 VAL 49 2.589 -1.755 2.758 415 HG23 VAL 49 2HG2 VAL 49 2.772 -2.434 4.374 416 H ARG 50 H ARG 50 -1.944 -1.886 4.621 417 HA ARG 50 HA ARG 50 -1.928 -4.222 6.187 418 HB2 ARG 50 2HB ARG 50 -4.331 -2.738 5.079 419 HB3 ARG 50 1HB ARG 50 -4.265 -3.656 6.584 420 HG2 ARG 50 2HG ARG 50 -2.211 -1.542 6.326 421 HG3 ARG 50 1HG ARG 50 -3.871 -0.958 6.436 422 HD2 ARG 50 2HD ARG 50 -2.579 -2.908 8.377 423 HD3 ARG 50 1HD ARG 50 -2.851 -1.182 8.684 424 HE ARG 50 HE ARG 50 -5.248 -2.630 7.813 425 HH11 ARG 50 1HH2 ARG 50 -3.884 -3.649 10.464 426 HH12 ARG 50 2HH2 ARG 50 -4.871 -2.825 11.623 427 HH21 ARG 50 1HH1 ARG 50 -6.279 -0.676 9.294 428 HH22 ARG 50 2HH1 ARG 50 -6.228 -1.144 10.962 429 H ARG 51 H ARG 51 -3.494 -3.613 3.059 430 HA ARG 51 HA ARG 51 -4.699 -6.127 2.625 431 HB2 ARG 51 2HB ARG 51 -5.186 -4.631 0.936 432 HB3 ARG 51 1HB ARG 51 -3.593 -3.880 1.016 433 HG2 ARG 51 2HG ARG 51 -3.917 -5.098 -1.119 434 HG3 ARG 51 1HG ARG 51 -2.612 -5.800 -0.165 435 HD2 ARG 51 2HD ARG 51 -3.795 -7.734 -0.721 436 HD3 ARG 51 1HD ARG 51 -4.619 -7.298 0.790 437 HE ARG 51 HE ARG 51 -5.710 -6.014 -1.621 438 HH11 ARG 51 1HH2 ARG 51 -7.196 -6.623 0.962 439 HH12 ARG 51 2HH2 ARG 51 -8.227 -7.920 0.460 440 HH21 ARG 51 1HH1 ARG 51 -6.447 -8.568 -2.445 441 HH22 ARG 51 2HH1 ARG 51 -7.804 -9.022 -1.468 442 H LEU 52 H LEU 52 -1.353 -5.052 2.072 443 HA LEU 52 HA LEU 52 -0.403 -7.585 1.041 444 HB2 LEU 52 2HB LEU 52 1.007 -5.252 2.376 445 HB3 LEU 52 1HB LEU 52 1.797 -6.504 1.418 446 HG LEU 52 HG LEU 52 -0.417 -4.743 0.339 447 HD11 LEU 52 1HD1 LEU 52 1.186 -3.114 0.516 448 HD12 LEU 52 2HD1 LEU 52 1.816 -3.891 -0.937 449 HD13 LEU 52 3HD1 LEU 52 2.503 -4.282 0.640 450 HD21 LEU 52 3HD2 LEU 52 1.109 -7.036 -0.625 451 HD22 LEU 52 1HD2 LEU 52 1.271 -5.645 -1.698 452 HD23 LEU 52 2HD2 LEU 52 -0.329 -6.282 -1.315 453 H GLU 53 H GLU 53 -1.001 -6.304 4.217 454 HA GLU 53 HA GLU 53 0.779 -7.981 5.735 455 HB2 GLU 53 2HB GLU 53 -0.864 -5.841 6.175 456 HB3 GLU 53 1HB GLU 53 -1.811 -7.138 6.905 457 HG2 GLU 53 2HG GLU 53 1.121 -6.682 7.513 458 HG3 GLU 53 1HG GLU 53 -0.186 -5.994 8.477 459 H ARG 54 H ARG 54 -2.793 -8.205 5.694 460 HA ARG 54 HA ARG 54 -3.011 -10.808 6.725 461 HB2 ARG 54 2HB ARG 54 -5.232 -10.735 5.435 462 HB3 ARG 54 1HB ARG 54 -4.920 -9.381 6.522 463 HG2 ARG 54 2HG ARG 54 -4.593 -7.891 4.799 464 HG3 ARG 54 1HG ARG 54 -3.942 -9.125 3.718 465 HD2 ARG 54 2HD ARG 54 -6.177 -8.377 2.944 466 HD3 ARG 54 1HD ARG 54 -6.242 -10.073 3.466 467 HE ARG 54 HE ARG 54 -7.500 -9.398 5.371 468 HH11 ARG 54 1HH2 ARG 54 -8.547 -7.241 3.512 469 HH12 ARG 54 2HH2 ARG 54 -8.341 -5.822 4.483 470 HH21 ARG 54 1HH1 ARG 54 -6.173 -7.343 6.719 471 HH22 ARG 54 2HH1 ARG 54 -6.998 -5.879 6.298 472 H GLN 55 H GLN 55 -1.955 -9.828 3.564 473 HA GLN 55 HA GLN 55 -2.522 -12.433 2.307 474 HB2 GLN 55 2HB GLN 55 -1.349 -9.776 1.549 475 HB3 GLN 55 1HB GLN 55 -1.050 -11.165 0.504 476 HG2 GLN 55 2HG GLN 55 -3.831 -10.451 1.443 477 HG3 GLN 55 1HG GLN 55 -3.135 -9.752 -0.020 478 HE21 GLN 55 1HE2 GLN 55 -2.883 -11.131 -1.878 479 HE22 GLN 55 2HE2 GLN 55 -3.491 -12.715 -1.927 480 H GLY 56 H GLY 56 -0.427 -11.781 4.628 481 HA2 GLY 56 2HA GLY 56 1.624 -12.713 5.287 482 HA3 GLY 56 1HA GLY 56 1.380 -13.900 4.005 483 H PHE 57 H PHE 57 1.914 -10.357 3.963 484 HA PHE 57 HA PHE 57 4.391 -10.833 2.359 485 HB2 PHE 57 2HB PHE 57 1.974 -9.141 1.667 486 HB3 PHE 57 1HB PHE 57 3.522 -8.978 0.841 487 HD1 PHE 57 1HD PHE 57 4.489 -11.715 0.625 488 HD2 PHE 57 2HD PHE 57 0.499 -10.191 0.180 489 HE1 PHE 57 1HE PHE 57 3.917 -13.639 -0.832 490 HE2 PHE 57 2HE PHE 57 -0.074 -12.114 -1.275 491 HZ PHE 57 HZ PHE 57 1.634 -13.839 -1.783 492 H ILE 58 H ILE 58 3.217 -9.553 5.083 493 HA ILE 58 HA ILE 58 5.192 -7.316 5.066 494 HB ILE 58 HB ILE 58 2.436 -7.060 6.273 495 HG12 ILE 58 2HG1 ILE 58 2.295 -7.606 3.808 496 HG13 ILE 58 1HG1 ILE 58 1.665 -6.012 4.227 497 HG21 ILE 58 1HG2 ILE 58 4.358 -4.988 5.183 498 HG22 ILE 58 2HG2 ILE 58 4.328 -5.490 6.875 499 HG23 ILE 58 3HG2 ILE 58 2.919 -4.700 6.164 500 HD11 ILE 58 3HD1 ILE 58 4.553 -6.058 3.626 501 HD12 ILE 58 1HD1 ILE 58 3.308 -4.930 3.087 502 HD13 ILE 58 2HD1 ILE 58 3.518 -6.473 2.259 503 H GLN 59 H GLN 59 5.173 -10.044 6.248 504 HA GLN 59 HA GLN 59 4.792 -9.641 9.138 505 HB2 GLN 59 2HB GLN 59 5.685 -12.007 9.154 506 HB3 GLN 59 1HB GLN 59 4.278 -11.788 8.114 507 HG2 GLN 59 2HG GLN 59 5.459 -12.428 6.309 508 HG3 GLN 59 1HG GLN 59 6.677 -11.194 6.631 509 HE21 GLN 59 1HE2 GLN 59 6.803 -14.245 5.907 510 HE22 GLN 59 2HE2 GLN 59 7.919 -14.855 7.031 511 H GLY 60 H GLY 60 7.138 -8.800 6.926 512 HA2 GLY 60 2HA GLY 60 9.184 -8.592 9.075 513 HA3 GLY 60 1HA GLY 60 9.647 -9.278 7.515 514 H TYR 61 H TYR 61 8.134 -7.607 5.818 515 HA TYR 61 HA TYR 61 9.820 -5.365 5.450 516 HB2 TYR 61 2HB TYR 61 6.904 -5.742 4.691 517 HB3 TYR 61 1HB TYR 61 8.046 -4.657 3.898 518 HD1 TYR 61 1HD TYR 61 10.357 -6.848 4.438 519 HD2 TYR 61 2HD TYR 61 6.547 -6.844 2.454 520 HE1 TYR 61 1HE TYR 61 11.111 -8.712 2.987 521 HE2 TYR 61 2HE TYR 61 7.302 -8.707 1.002 522 HH TYR 61 HH TYR 61 9.796 -9.522 0.206 523 H THR 62 H THR 62 6.670 -4.119 5.569 524 HA THR 62 HA THR 62 7.445 -2.357 7.797 525 HB THR 62 HB THR 62 6.335 -1.722 5.560 526 HG1 THR 62 1HG THR 62 5.721 -0.884 8.114 527 HG21 THR 62 3HG2 THR 62 4.154 -3.222 6.916 528 HG22 THR 62 1HG2 THR 62 4.499 -3.054 5.198 529 HG23 THR 62 2HG2 THR 62 3.701 -1.746 6.070 530 H ALA 63 H ALA 63 6.638 -5.302 8.082 531 HA ALA 63 HA ALA 63 4.196 -5.859 9.167 532 HB1 ALA 63 1HB ALA 63 6.250 -7.301 9.124 533 HB2 ALA 63 2HB ALA 63 5.401 -7.373 10.668 534 HB3 ALA 63 3HB ALA 63 6.865 -6.404 10.512 535 H LEU 64 H LEU 64 6.629 -3.702 10.521 536 HA LEU 64 HA LEU 64 5.676 -3.322 13.143 537 HB2 LEU 64 2HB LEU 64 6.613 -0.926 12.652 538 HB3 LEU 64 1HB LEU 64 7.715 -2.296 12.549 539 HG LEU 64 HG LEU 64 6.341 -1.890 10.016 540 HD11 LEU 64 1HD1 LEU 64 7.636 0.267 9.521 541 HD12 LEU 64 2HD1 LEU 64 7.790 0.454 11.268 542 HD13 LEU 64 3HD1 LEU 64 6.193 0.437 10.519 543 HD21 LEU 64 3HD2 LEU 64 8.338 -3.155 10.026 544 HD22 LEU 64 1HD2 LEU 64 9.183 -1.978 11.032 545 HD23 LEU 64 2HD2 LEU 64 8.835 -1.607 9.344 546 H LEU 65 H LEU 65 4.456 -2.125 10.101 547 HA LEU 65 HA LEU 65 2.678 -0.119 11.117 548 HB2 LEU 65 2HB LEU 65 2.048 0.042 8.879 549 HB3 LEU 65 1HB LEU 65 3.592 -0.783 8.707 550 HG LEU 65 HG LEU 65 2.091 -2.016 7.341 551 HD11 LEU 65 1HD1 LEU 65 2.993 -3.879 8.217 552 HD12 LEU 65 2HD1 LEU 65 1.537 -4.015 9.203 553 HD13 LEU 65 3HD1 LEU 65 2.963 -3.213 9.843 554 HD21 LEU 65 3HD2 LEU 65 0.126 -0.954 8.974 555 HD22 LEU 65 1HD2 LEU 65 0.051 -2.678 9.336 556 HD23 LEU 65 2HD2 LEU 65 -0.142 -2.116 7.676 557 H ASN 66 H ASN 66 2.616 -3.416 11.635 558 HA ASN 66 HA ASN 66 -0.166 -4.063 11.359 559 HB2 ASN 66 2HB ASN 66 1.936 -5.534 11.703 560 HB3 ASN 66 1HB ASN 66 1.748 -5.172 13.419 561 HD21 ASN 66 1HD2 ASN 66 -0.108 -6.076 14.537 562 HD22 ASN 66 2HD2 ASN 66 -1.085 -7.270 13.829 Start of MODEL 21 1 H1 MET 1 1HT MET 1 7.565 -3.183 -16.592 2 H2 MET 1 2HT MET 1 6.893 -1.754 -15.968 3 H3 MET 1 3HT MET 1 7.652 -2.861 -14.928 4 HA MET 1 HA MET 1 9.658 -2.363 -16.630 5 HB2 MET 1 2HB MET 1 7.828 -0.725 -17.588 6 HB3 MET 1 1HB MET 1 8.310 0.299 -16.235 7 HG2 MET 1 2HG MET 1 9.679 0.946 -18.095 8 HG3 MET 1 1HG MET 1 10.711 0.006 -17.018 9 HE1 MET 1 2HE MET 1 12.375 -1.477 -19.965 10 HE2 MET 1 3HE MET 1 12.452 -1.209 -18.226 11 HE3 MET 1 1HE MET 1 12.147 0.147 -19.319 12 H VAL 2 H VAL 2 7.788 -1.019 -13.935 13 HA VAL 2 HA VAL 2 10.099 0.084 -12.540 14 HB VAL 2 HB VAL 2 7.339 -0.674 -11.527 15 HG11 VAL 2 1HG1 VAL 2 8.868 1.712 -10.591 16 HG12 VAL 2 2HG1 VAL 2 9.423 0.130 -10.041 17 HG13 VAL 2 3HG1 VAL 2 7.775 0.655 -9.696 18 HG21 VAL 2 3HG2 VAL 2 6.718 1.652 -12.132 19 HG22 VAL 2 1HG2 VAL 2 7.165 0.708 -13.552 20 HG23 VAL 2 2HG2 VAL 2 8.304 1.870 -12.872 21 H ASP 3 H ASP 3 8.444 -3.017 -12.623 22 HA ASP 3 HA ASP 3 9.077 -5.092 -11.676 23 HB2 ASP 3 2HB ASP 3 11.351 -3.836 -12.300 24 HB3 ASP 3 1HB ASP 3 11.530 -3.799 -10.546 25 H SER 4 H SER 4 7.924 -5.689 -9.890 26 HA SER 4 HA SER 4 8.277 -4.101 -7.369 27 HB2 SER 4 2HB SER 4 6.006 -5.241 -8.854 28 HB3 SER 4 1HB SER 4 5.962 -5.594 -7.128 29 HG SER 4 HG SER 4 6.518 -3.211 -6.985 30 H LYS 5 H LYS 5 7.127 -5.956 -5.619 31 HA LYS 5 HA LYS 5 9.297 -7.952 -5.421 32 HB2 LYS 5 2HB LYS 5 7.289 -6.626 -3.709 33 HB3 LYS 5 1HB LYS 5 7.590 -8.314 -3.291 34 HG2 LYS 5 2HG LYS 5 9.248 -7.237 -2.051 35 HG3 LYS 5 1HG LYS 5 10.121 -7.617 -3.536 36 HD2 LYS 5 2HD LYS 5 8.685 -4.985 -3.095 37 HD3 LYS 5 1HD LYS 5 10.391 -5.224 -2.714 38 HE2 LYS 5 2HE LYS 5 10.045 -6.255 -5.328 39 HE3 LYS 5 1HE LYS 5 9.185 -4.705 -5.291 40 HZ1 LYS 5 3HZ LYS 5 12.016 -5.263 -4.891 41 HZ2 LYS 5 1HZ LYS 5 11.336 -4.099 -3.862 42 HZ3 LYS 5 2HZ LYS 5 11.265 -3.887 -5.546 43 H LYS 6 H LYS 6 7.505 -8.427 -7.608 44 HA LYS 6 HA LYS 6 6.247 -10.194 -8.545 45 HB2 LYS 6 2HB LYS 6 7.231 -11.561 -6.016 46 HB3 LYS 6 1HB LYS 6 6.685 -12.371 -7.484 47 HG2 LYS 6 2HG LYS 6 8.538 -11.546 -8.745 48 HG3 LYS 6 1HG LYS 6 8.975 -10.395 -7.483 49 HD2 LYS 6 2HD LYS 6 10.509 -12.086 -7.053 50 HD3 LYS 6 1HD LYS 6 9.180 -12.590 -6.008 51 HE2 LYS 6 2HE LYS 6 8.968 -13.571 -8.792 52 HE3 LYS 6 1HE LYS 6 10.339 -14.226 -7.874 53 HZ1 LYS 6 3HZ LYS 6 7.779 -15.074 -7.637 54 HZ2 LYS 6 1HZ LYS 6 7.909 -13.985 -6.344 55 HZ3 LYS 6 2HZ LYS 6 8.987 -15.292 -6.463 56 H ARG 7 H ARG 7 5.366 -11.970 -5.851 57 HA ARG 7 HA ARG 7 3.329 -12.145 -4.646 58 HB2 ARG 7 2HB ARG 7 4.100 -9.401 -4.804 59 HB3 ARG 7 1HB ARG 7 2.359 -9.464 -5.069 60 HG2 ARG 7 2HG ARG 7 2.526 -11.182 -3.005 61 HG3 ARG 7 1HG ARG 7 3.936 -10.186 -2.648 62 HD2 ARG 7 2HD ARG 7 2.552 -8.624 -1.769 63 HD3 ARG 7 1HD ARG 7 1.826 -8.411 -3.375 64 HE ARG 7 HE ARG 7 -0.016 -9.640 -2.567 65 HH11 ARG 7 1HH1 ARG 7 1.831 -9.485 0.092 66 HH12 ARG 7 2HH1 ARG 7 1.532 -11.087 0.680 67 HH21 ARG 7 1HH2 ARG 7 0.048 -12.175 -2.261 68 HH22 ARG 7 2HH2 ARG 7 0.521 -12.609 -0.652 69 HA PRO 8 HA PRO 8 0.072 -12.481 -7.598 70 HB2 PRO 8 2HB PRO 8 -2.121 -11.134 -6.641 71 HB3 PRO 8 1HB PRO 8 -1.567 -12.684 -5.981 72 HG2 PRO 8 2HG PRO 8 -1.161 -9.926 -4.935 73 HG3 PRO 8 1HG PRO 8 -1.470 -11.434 -4.057 74 HD2 PRO 8 2HD PRO 8 0.998 -10.297 -4.275 75 HD3 PRO 8 1HD PRO 8 0.744 -12.039 -4.059 76 H GLY 9 H GLY 9 1.818 -10.617 -8.469 77 HA2 GLY 9 2HA GLY 9 1.091 -7.979 -8.912 78 HA3 GLY 9 1HA GLY 9 1.970 -8.940 -10.105 79 H LYS 10 H LYS 10 -0.208 -10.870 -10.479 80 HA LYS 10 HA LYS 10 -1.623 -9.644 -12.615 81 HB2 LYS 10 2HB LYS 10 -1.541 -11.972 -12.681 82 HB3 LYS 10 1HB LYS 10 -1.846 -12.126 -10.950 83 HG2 LYS 10 2HG LYS 10 -4.178 -11.606 -11.232 84 HG3 LYS 10 1HG LYS 10 -3.929 -11.135 -12.914 85 HD2 LYS 10 2HD LYS 10 -3.003 -13.599 -13.143 86 HD3 LYS 10 1HD LYS 10 -3.979 -13.877 -11.700 87 HE2 LYS 10 2HE LYS 10 -5.413 -14.348 -13.580 88 HE3 LYS 10 1HE LYS 10 -5.910 -12.753 -12.981 89 HZ1 LYS 10 3HZ LYS 10 -4.729 -11.668 -14.643 90 HZ2 LYS 10 1HZ LYS 10 -5.396 -12.991 -15.471 91 HZ3 LYS 10 2HZ LYS 10 -3.765 -13.022 -14.994 92 H ASP 11 H ASP 11 -2.129 -9.481 -9.230 93 HA ASP 11 HA ASP 11 -4.570 -7.852 -9.656 94 HB2 ASP 11 2HB ASP 11 -5.282 -10.218 -9.362 95 HB3 ASP 11 1HB ASP 11 -4.413 -10.272 -7.828 96 H LEU 12 H LEU 12 -2.939 -6.215 -8.962 97 HA LEU 12 HA LEU 12 -2.826 -6.047 -5.992 98 HB2 LEU 12 2HB LEU 12 -0.696 -6.810 -7.730 99 HB3 LEU 12 1HB LEU 12 -0.328 -5.197 -7.120 100 HG LEU 12 HG LEU 12 -1.241 -7.403 -5.280 101 HD11 LEU 12 1HD1 LEU 12 0.694 -8.469 -5.814 102 HD12 LEU 12 2HD1 LEU 12 1.466 -7.191 -4.876 103 HD13 LEU 12 3HD1 LEU 12 1.354 -7.052 -6.630 104 HD21 LEU 12 3HD2 LEU 12 -0.342 -6.004 -3.571 105 HD22 LEU 12 1HD2 LEU 12 -1.222 -4.915 -4.644 106 HD23 LEU 12 2HD2 LEU 12 0.536 -5.018 -4.738 107 H ASP 13 H ASP 13 -2.869 -3.893 -5.263 108 HA ASP 13 HA ASP 13 -3.609 -1.849 -7.230 109 HB2 ASP 13 2HB ASP 13 -3.559 -2.255 -4.289 110 HB3 ASP 13 1HB ASP 13 -3.381 -0.584 -4.824 111 H ARG 14 H ARG 14 -2.176 -0.468 -8.169 112 HA ARG 14 HA ARG 14 0.553 -0.598 -8.148 113 HB2 ARG 14 2HB ARG 14 -0.863 0.872 -9.559 114 HB3 ARG 14 1HB ARG 14 -1.125 1.930 -8.172 115 HG2 ARG 14 2HG ARG 14 0.729 2.627 -9.806 116 HG3 ARG 14 1HG ARG 14 1.167 2.573 -8.099 117 HD2 ARG 14 2HD ARG 14 2.538 0.731 -8.371 118 HD3 ARG 14 1HD ARG 14 1.543 0.060 -9.679 119 HE ARG 14 HE ARG 14 3.325 2.446 -10.038 120 HH11 ARG 14 1HH2 ARG 14 1.146 1.756 -12.070 121 HH12 ARG 14 2HH2 ARG 14 2.064 0.882 -13.252 122 HH21 ARG 14 1HH1 ARG 14 4.780 0.375 -11.153 123 HH22 ARG 14 2HH1 ARG 14 4.121 0.099 -12.732 124 H ILE 15 H ILE 15 -1.449 0.782 -5.619 125 HA ILE 15 HA ILE 15 0.674 2.184 -4.230 126 HB ILE 15 HB ILE 15 -1.911 1.078 -3.124 127 HG12 ILE 15 2HG1 ILE 15 -2.590 2.164 -5.130 128 HG13 ILE 15 1HG1 ILE 15 -2.808 3.376 -3.868 129 HG21 ILE 15 1HG2 ILE 15 0.092 3.129 -2.348 130 HG22 ILE 15 2HG2 ILE 15 -0.924 2.109 -1.331 131 HG23 ILE 15 3HG2 ILE 15 -1.599 3.553 -2.086 132 HD11 ILE 15 3HD1 ILE 15 -0.707 3.222 -6.005 133 HD12 ILE 15 1HD1 ILE 15 -0.319 4.018 -4.479 134 HD13 ILE 15 2HD1 ILE 15 -1.653 4.611 -5.469 135 H ASP 16 H ASP 16 -0.934 -0.970 -3.715 136 HA ASP 16 HA ASP 16 0.690 -1.711 -1.451 137 HB2 ASP 16 2HB ASP 16 -0.763 -3.453 -3.471 138 HB3 ASP 16 1HB ASP 16 -0.374 -3.875 -1.803 139 H ARG 17 H ARG 17 1.132 -1.929 -4.929 140 HA ARG 17 HA ARG 17 3.255 -3.911 -4.839 141 HB2 ARG 17 2HB ARG 17 2.585 -1.863 -6.968 142 HB3 ARG 17 1HB ARG 17 3.419 -3.398 -7.205 143 HG2 ARG 17 2HG ARG 17 1.453 -4.658 -6.757 144 HG3 ARG 17 1HG ARG 17 0.623 -3.261 -6.069 145 HD2 ARG 17 2HD ARG 17 -0.289 -2.961 -8.133 146 HD3 ARG 17 1HD ARG 17 1.325 -2.439 -8.657 147 HE ARG 17 HE ARG 17 1.148 -5.324 -8.569 148 HH11 ARG 17 1HH1 ARG 17 -1.269 -4.737 -10.164 149 HH12 ARG 17 2HH1 ARG 17 -0.644 -4.586 -11.773 150 HH21 ARG 17 1HH2 ARG 17 2.642 -4.173 -10.743 151 HH22 ARG 17 2HH2 ARG 17 1.569 -4.262 -12.100 152 H ASN 18 H ASN 18 3.408 -0.509 -5.859 153 HA ASN 18 HA ASN 18 6.203 -0.206 -5.644 154 HB2 ASN 18 2HB ASN 18 4.267 1.339 -6.530 155 HB3 ASN 18 1HB ASN 18 4.258 1.969 -4.882 156 HD21 ASN 18 1HD2 ASN 18 5.456 2.787 -7.793 157 HD22 ASN 18 2HD2 ASN 18 6.942 3.474 -7.344 158 H ILE 19 H ILE 19 3.702 -0.232 -3.198 159 HA ILE 19 HA ILE 19 5.214 0.899 -1.040 160 HB ILE 19 HB ILE 19 2.781 -0.798 -1.451 161 HG12 ILE 19 2HG1 ILE 19 3.311 1.693 0.200 162 HG13 ILE 19 1HG1 ILE 19 2.742 1.700 -1.469 163 HG21 ILE 19 1HG2 ILE 19 4.013 -0.348 1.284 164 HG22 ILE 19 2HG2 ILE 19 4.008 -1.893 0.433 165 HG23 ILE 19 3HG2 ILE 19 2.487 -1.162 0.941 166 HD11 ILE 19 3HD1 ILE 19 0.867 1.928 0.143 167 HD12 ILE 19 1HD1 ILE 19 1.308 0.375 0.852 168 HD13 ILE 19 2HD1 ILE 19 0.733 0.454 -0.813 169 H LEU 20 H LEU 20 4.605 -2.506 -2.015 170 HA LEU 20 HA LEU 20 6.244 -3.769 -0.072 171 HB2 LEU 20 2HB LEU 20 5.517 -4.393 -2.953 172 HB3 LEU 20 1HB LEU 20 6.400 -5.533 -1.936 173 HG LEU 20 HG LEU 20 3.767 -4.306 -1.096 174 HD11 LEU 20 1HD1 LEU 20 4.362 -6.751 -2.751 175 HD12 LEU 20 2HD1 LEU 20 3.128 -5.518 -3.006 176 HD13 LEU 20 3HD1 LEU 20 2.938 -6.700 -1.711 177 HD21 LEU 20 3HD2 LEU 20 3.823 -6.501 0.285 178 HD22 LEU 20 1HD2 LEU 20 4.896 -5.194 0.783 179 HD23 LEU 20 2HD2 LEU 20 5.534 -6.558 -0.135 180 H ASN 21 H ASN 21 7.080 -2.424 -3.281 181 HA ASN 21 HA ASN 21 9.816 -3.206 -3.337 182 HB2 ASN 21 2HB ASN 21 8.363 -2.184 -5.160 183 HB3 ASN 21 1HB ASN 21 8.596 -0.626 -4.365 184 HD21 ASN 21 1HD2 ASN 21 10.649 0.419 -4.608 185 HD22 ASN 21 2HD2 ASN 21 11.894 -0.208 -5.575 186 H GLU 22 H GLU 22 8.189 -0.405 -1.881 187 HA GLU 22 HA GLU 22 10.536 1.007 -1.056 188 HB2 GLU 22 2HB GLU 22 7.629 0.897 -0.384 189 HB3 GLU 22 1HB GLU 22 8.687 1.727 0.757 190 HG2 GLU 22 2HG GLU 22 9.362 3.322 -0.836 191 HG3 GLU 22 1HG GLU 22 8.851 2.317 -2.192 192 H LEU 23 H LEU 23 8.582 -1.521 0.514 193 HA LEU 23 HA LEU 23 9.994 -1.490 3.023 194 HB2 LEU 23 2HB LEU 23 8.257 -3.429 1.492 195 HB3 LEU 23 1HB LEU 23 8.972 -3.894 3.036 196 HG LEU 23 HG LEU 23 6.854 -3.017 3.631 197 HD11 LEU 23 1HD1 LEU 23 8.966 -1.945 4.733 198 HD12 LEU 23 2HD1 LEU 23 7.395 -1.196 5.010 199 HD13 LEU 23 3HD1 LEU 23 8.503 -0.504 3.827 200 HD21 LEU 23 3HD2 LEU 23 5.981 -0.894 2.715 201 HD22 LEU 23 1HD2 LEU 23 6.308 -2.056 1.431 202 HD23 LEU 23 2HD2 LEU 23 7.431 -0.727 1.726 203 H GLN 24 H GLN 24 10.412 -3.330 0.005 204 HA GLN 24 HA GLN 24 12.576 -4.991 0.928 205 HB2 GLN 24 2HB GLN 24 11.343 -5.567 -1.054 206 HB3 GLN 24 1HB GLN 24 11.626 -3.979 -1.768 207 HG2 GLN 24 2HG GLN 24 13.106 -5.683 -2.776 208 HG3 GLN 24 1HG GLN 24 14.040 -4.466 -1.904 209 HE21 GLN 24 1HE2 GLN 24 12.547 -7.710 -1.371 210 HE22 GLN 24 2HE2 GLN 24 13.748 -8.247 -0.300 211 H LYS 25 H LYS 25 12.394 -1.763 -0.543 212 HA LYS 25 HA LYS 25 15.304 -1.466 -0.739 213 HB2 LYS 25 2HB LYS 25 14.689 0.338 -2.004 214 HB3 LYS 25 1HB LYS 25 13.060 -0.323 -1.877 215 HG2 LYS 25 2HG LYS 25 12.694 1.033 0.178 216 HG3 LYS 25 1HG LYS 25 14.300 1.735 -0.022 217 HD2 LYS 25 2HD LYS 25 13.550 2.458 -2.353 218 HD3 LYS 25 1HD LYS 25 11.914 2.017 -1.861 219 HE2 LYS 25 2HE LYS 25 12.133 4.368 -1.392 220 HE3 LYS 25 1HE LYS 25 12.288 3.553 0.177 221 HZ1 LYS 25 3HZ LYS 25 14.215 4.715 0.246 222 HZ2 LYS 25 1HZ LYS 25 14.327 4.864 -1.441 223 HZ3 LYS 25 2HZ LYS 25 14.793 3.415 -0.684 224 H ASP 26 H ASP 26 12.789 -0.704 1.573 225 HA ASP 26 HA ASP 26 14.915 0.212 3.456 226 HB2 ASP 26 2HB ASP 26 12.798 1.729 2.230 227 HB3 ASP 26 1HB ASP 26 12.498 1.634 3.966 228 H GLY 27 H GLY 27 14.784 -1.773 4.631 229 HA2 GLY 27 2HA GLY 27 12.176 -2.799 5.496 230 HA3 GLY 27 1HA GLY 27 13.747 -3.482 5.912 231 H ARG 28 H ARG 28 13.577 -0.114 6.436 232 HA ARG 28 HA ARG 28 12.915 -0.543 9.330 233 HB2 ARG 28 2HB ARG 28 14.799 1.282 9.580 234 HB3 ARG 28 1HB ARG 28 15.263 -0.398 9.313 235 HG2 ARG 28 2HG ARG 28 16.539 1.052 7.807 236 HG3 ARG 28 1HG ARG 28 15.419 0.065 6.868 237 HD2 ARG 28 2HD ARG 28 15.451 2.512 6.198 238 HD3 ARG 28 1HD ARG 28 13.848 1.929 6.692 239 HE ARG 28 HE ARG 28 14.085 3.128 8.763 240 HH11 ARG 28 1HH1 ARG 28 15.351 5.111 6.808 241 HH12 ARG 28 2HH1 ARG 28 16.786 5.555 7.671 242 HH21 ARG 28 1HH2 ARG 28 16.602 2.889 9.879 243 HH22 ARG 28 2HH2 ARG 28 17.493 4.298 9.409 244 H ILE 29 H ILE 29 11.215 0.523 7.163 245 HA ILE 29 HA ILE 29 11.000 3.387 8.021 246 HB ILE 29 HB ILE 29 11.554 3.048 5.655 247 HG12 ILE 29 2HG1 ILE 29 8.626 3.777 5.983 248 HG13 ILE 29 1HG1 ILE 29 9.975 4.876 6.270 249 HG21 ILE 29 1HG2 ILE 29 9.144 1.862 4.691 250 HG22 ILE 29 2HG2 ILE 29 9.775 0.826 5.971 251 HG23 ILE 29 3HG2 ILE 29 10.784 1.226 4.582 252 HD11 ILE 29 3HD1 ILE 29 10.694 4.653 3.940 253 HD12 ILE 29 1HD1 ILE 29 9.004 5.157 3.993 254 HD13 ILE 29 2HD1 ILE 29 9.413 3.479 3.637 255 H SER 30 H SER 30 9.039 4.082 8.834 256 HA SER 30 HA SER 30 7.105 2.077 9.671 257 HB2 SER 30 2HB SER 30 7.925 4.327 10.747 258 HB3 SER 30 1HB SER 30 6.698 5.064 9.718 259 HG SER 30 HG SER 30 5.191 4.239 10.936 260 H ASN 31 H ASN 31 5.058 4.459 9.073 261 HA ASN 31 HA ASN 31 4.376 3.489 6.314 262 HB2 ASN 31 2HB ASN 31 2.991 3.218 8.697 263 HB3 ASN 31 1HB ASN 31 2.234 4.638 7.971 264 HD21 ASN 31 1HD2 ASN 31 2.369 1.199 7.858 265 HD22 ASN 31 2HD2 ASN 31 1.463 0.988 6.439 266 H VAL 32 H VAL 32 4.371 6.296 8.519 267 HA VAL 32 HA VAL 32 3.255 8.285 6.920 268 HB VAL 32 HB VAL 32 5.791 8.343 8.601 269 HG11 VAL 32 1HG1 VAL 32 5.985 10.462 7.835 270 HG12 VAL 32 2HG1 VAL 32 4.533 10.816 8.773 271 HG13 VAL 32 3HG1 VAL 32 4.400 10.405 7.063 272 HG21 VAL 32 3HG2 VAL 32 3.595 7.544 9.649 273 HG22 VAL 32 1HG2 VAL 32 2.986 9.176 9.371 274 HG23 VAL 32 2HG2 VAL 32 4.370 8.921 10.433 275 H GLU 33 H GLU 33 6.720 7.344 6.893 276 HA GLU 33 HA GLU 33 7.338 8.790 4.469 277 HB2 GLU 33 2HB GLU 33 8.922 7.997 6.280 278 HB3 GLU 33 1HB GLU 33 8.684 6.352 5.688 279 HG2 GLU 33 2HG GLU 33 10.327 6.729 4.195 280 HG3 GLU 33 1HG GLU 33 9.263 7.891 3.402 281 H LEU 34 H LEU 34 6.191 5.537 5.218 282 HA LEU 34 HA LEU 34 6.519 4.414 2.577 283 HB2 LEU 34 2HB LEU 34 5.797 3.597 5.143 284 HB3 LEU 34 1HB LEU 34 4.318 3.382 4.204 285 HG LEU 34 HG LEU 34 6.940 2.428 3.091 286 HD11 LEU 34 1HD1 LEU 34 6.446 0.201 4.138 287 HD12 LEU 34 2HD1 LEU 34 5.194 0.980 5.104 288 HD13 LEU 34 3HD1 LEU 34 6.884 1.441 5.312 289 HD21 LEU 34 3HD2 LEU 34 4.166 1.238 2.885 290 HD22 LEU 34 1HD2 LEU 34 5.546 0.964 1.822 291 HD23 LEU 34 2HD2 LEU 34 4.720 2.521 1.809 292 H SER 35 H SER 35 4.330 6.672 3.949 293 HA SER 35 HA SER 35 2.107 6.129 2.100 294 HB2 SER 35 2HB SER 35 0.997 7.731 3.412 295 HB3 SER 35 1HB SER 35 2.111 6.980 4.557 296 HG SER 35 HG SER 35 1.958 9.460 4.197 297 H LYS 36 H LYS 36 4.488 8.754 2.624 298 HA LYS 36 HA LYS 36 3.643 10.184 0.212 299 HB2 LYS 36 2HB LYS 36 6.070 10.500 2.011 300 HB3 LYS 36 1HB LYS 36 5.423 11.717 0.908 301 HG2 LYS 36 2HG LYS 36 3.931 12.394 2.452 302 HG3 LYS 36 1HG LYS 36 3.324 10.748 2.639 303 HD2 LYS 36 2HD LYS 36 4.160 11.016 4.760 304 HD3 LYS 36 1HD LYS 36 5.653 10.502 3.974 305 HE2 LYS 36 2HE LYS 36 6.578 12.615 4.051 306 HE3 LYS 36 1HE LYS 36 5.005 13.418 3.878 307 HZ1 LYS 36 3HZ LYS 36 4.520 12.317 6.143 308 HZ2 LYS 36 1HZ LYS 36 5.471 13.722 6.111 309 HZ3 LYS 36 2HZ LYS 36 6.209 12.201 6.280 310 H ARG 37 H ARG 37 5.874 7.631 0.916 311 HA ARG 37 HA ARG 37 7.763 8.169 -1.220 312 HB2 ARG 37 2HB ARG 37 7.088 5.960 0.681 313 HB3 ARG 37 1HB ARG 37 8.129 5.585 -0.694 314 HG2 ARG 37 2HG ARG 37 9.001 8.058 0.446 315 HG3 ARG 37 1HG ARG 37 8.845 6.873 1.742 316 HD2 ARG 37 2HD ARG 37 10.504 5.507 0.878 317 HD3 ARG 37 1HD ARG 37 10.162 5.986 -0.797 318 HE ARG 37 HE ARG 37 11.026 8.331 0.420 319 HH11 ARG 37 1HH1 ARG 37 12.666 6.427 2.125 320 HH12 ARG 37 2HH1 ARG 37 14.138 6.338 1.216 321 HH21 ARG 37 1HH2 ARG 37 12.750 7.661 -1.672 322 HH22 ARG 37 2HH2 ARG 37 14.185 7.034 -0.933 323 H VAL 38 H VAL 38 4.647 6.738 -1.058 324 HA VAL 38 HA VAL 38 4.992 5.559 -3.784 325 HB VAL 38 HB VAL 38 2.623 4.594 -2.962 326 HG11 VAL 38 1HG1 VAL 38 3.820 2.693 -3.029 327 HG12 VAL 38 2HG1 VAL 38 4.658 3.124 -1.538 328 HG13 VAL 38 3HG1 VAL 38 5.285 3.673 -3.091 329 HG21 VAL 38 3HG2 VAL 38 2.671 5.926 -0.863 330 HG22 VAL 38 1HG2 VAL 38 4.154 5.097 -0.397 331 HG23 VAL 38 2HG2 VAL 38 2.650 4.191 -0.544 332 H GLY 39 H GLY 39 3.813 8.263 -2.208 333 HA2 GLY 39 2HA GLY 39 2.814 10.131 -3.311 334 HA3 GLY 39 1HA GLY 39 2.314 9.061 -4.618 335 H LEU 40 H LEU 40 1.720 8.648 -1.126 336 HA LEU 40 HA LEU 40 -1.142 9.339 -1.499 337 HB2 LEU 40 2HB LEU 40 -1.648 7.019 -0.425 338 HB3 LEU 40 1HB LEU 40 -1.257 7.068 -2.144 339 HG LEU 40 HG LEU 40 1.150 6.899 -0.569 340 HD11 LEU 40 1HD1 LEU 40 -0.023 4.290 -0.248 341 HD12 LEU 40 2HD1 LEU 40 -1.039 5.485 0.556 342 HD13 LEU 40 3HD1 LEU 40 0.665 5.344 0.987 343 HD21 LEU 40 3HD2 LEU 40 1.373 6.181 -2.756 344 HD22 LEU 40 1HD2 LEU 40 -0.222 5.433 -2.781 345 HD23 LEU 40 2HD2 LEU 40 1.115 4.633 -1.957 346 H SER 41 H SER 41 -2.283 9.405 0.572 347 HA SER 41 HA SER 41 -0.663 10.392 2.765 348 HB2 SER 41 2HB SER 41 -3.547 9.720 2.246 349 HB3 SER 41 1HB SER 41 -3.022 10.078 3.890 350 HG SER 41 HG SER 41 -3.602 12.002 2.975 351 HA PRO 42 HA PRO 42 0.131 6.651 4.722 352 HB2 PRO 42 2HB PRO 42 0.037 7.341 7.364 353 HB3 PRO 42 1HB PRO 42 1.352 7.827 6.276 354 HG2 PRO 42 2HG PRO 42 -0.980 9.400 7.244 355 HG3 PRO 42 1HG PRO 42 0.686 9.917 6.943 356 HD2 PRO 42 2HD PRO 42 -1.413 10.375 5.224 357 HD3 PRO 42 1HD PRO 42 0.294 10.308 4.728 358 H THR 43 H THR 43 -2.616 8.384 6.233 359 HA THR 43 HA THR 43 -3.965 6.441 7.615 360 HB THR 43 HB THR 43 -4.732 8.659 5.782 361 HG1 THR 43 1HG THR 43 -5.951 9.141 7.746 362 HG21 THR 43 3HG2 THR 43 -6.335 6.903 5.112 363 HG22 THR 43 1HG2 THR 43 -7.143 8.179 6.022 364 HG23 THR 43 2HG2 THR 43 -6.760 6.646 6.804 365 HA PRO 44 HA PRO 44 -5.626 4.310 3.698 366 HB2 PRO 44 2HB PRO 44 -4.865 5.258 1.245 367 HB3 PRO 44 1HB PRO 44 -6.274 5.887 2.119 368 HG2 PRO 44 2HG PRO 44 -3.554 7.050 1.825 369 HG3 PRO 44 1HG PRO 44 -5.127 7.859 1.898 370 HD2 PRO 44 2HD PRO 44 -3.352 7.691 4.008 371 HD3 PRO 44 1HD PRO 44 -5.098 7.961 4.175 372 H CYS 45 H CYS 45 -2.355 5.679 3.091 373 HA CYS 45 HA CYS 45 -1.074 3.697 1.669 374 HB2 CYS 45 2HB CYS 45 -0.012 5.704 2.685 375 HB3 CYS 45 1HB CYS 45 -0.137 4.944 4.272 376 HG CYS 45 HG CYS 45 2.231 4.345 3.401 377 H LEU 46 H LEU 46 -1.604 3.617 5.192 378 HA LEU 46 HA LEU 46 -0.730 0.984 5.702 379 HB2 LEU 46 2HB LEU 46 -3.050 2.588 6.842 380 HB3 LEU 46 1HB LEU 46 -2.298 1.197 7.628 381 HG LEU 46 HG LEU 46 -0.252 3.044 6.839 382 HD11 LEU 46 1HD1 LEU 46 -1.738 4.447 8.917 383 HD12 LEU 46 2HD1 LEU 46 -2.619 4.399 7.390 384 HD13 LEU 46 3HD1 LEU 46 -0.993 5.082 7.449 385 HD21 LEU 46 3HD2 LEU 46 0.446 2.767 9.076 386 HD22 LEU 46 1HD2 LEU 46 -0.396 1.260 8.713 387 HD23 LEU 46 2HD2 LEU 46 -1.204 2.518 9.650 388 H GLU 47 H GLU 47 -4.002 2.170 4.889 389 HA GLU 47 HA GLU 47 -5.441 -0.182 4.706 390 HB2 GLU 47 2HB GLU 47 -5.520 2.479 3.682 391 HB3 GLU 47 1HB GLU 47 -5.926 1.390 2.356 392 HG2 GLU 47 2HG GLU 47 -7.193 0.712 4.931 393 HG3 GLU 47 1HG GLU 47 -7.711 2.252 4.246 394 H ARG 48 H ARG 48 -3.161 1.131 2.297 395 HA ARG 48 HA ARG 48 -3.455 -1.061 0.426 396 HB2 ARG 48 2HB ARG 48 -1.398 1.123 0.871 397 HB3 ARG 48 1HB ARG 48 -1.345 0.022 -0.508 398 HG2 ARG 48 2HG ARG 48 -2.839 1.310 -1.585 399 HG3 ARG 48 1HG ARG 48 -4.011 1.018 -0.301 400 HD2 ARG 48 2HD ARG 48 -3.268 2.939 0.936 401 HD3 ARG 48 1HD ARG 48 -1.848 3.135 -0.105 402 HE ARG 48 HE ARG 48 -3.296 4.365 -1.509 403 HH11 ARG 48 1HH1 ARG 48 -5.344 2.950 0.684 404 HH12 ARG 48 2HH1 ARG 48 -6.663 2.700 -0.411 405 HH21 ARG 48 1HH2 ARG 48 -4.828 3.535 -3.231 406 HH22 ARG 48 2HH2 ARG 48 -6.371 3.032 -2.627 407 H VAL 49 H VAL 49 -0.781 -0.139 2.636 408 HA VAL 49 HA VAL 49 0.783 -2.480 2.354 409 HB VAL 49 HB VAL 49 0.360 -0.296 4.340 410 HG11 VAL 49 1HG1 VAL 49 1.578 -2.978 5.027 411 HG12 VAL 49 2HG1 VAL 49 0.446 -2.009 5.972 412 HG13 VAL 49 3HG1 VAL 49 2.129 -1.502 5.820 413 HG21 VAL 49 3HG2 VAL 49 2.764 -1.569 2.997 414 HG22 VAL 49 1HG2 VAL 49 2.853 -0.183 4.082 415 HG23 VAL 49 2HG2 VAL 49 1.989 -0.051 2.550 416 H ARG 50 H ARG 50 -1.796 -1.768 4.733 417 HA ARG 50 HA ARG 50 -1.874 -4.084 6.230 418 HB2 ARG 50 2HB ARG 50 -4.208 -2.633 4.946 419 HB3 ARG 50 1HB ARG 50 -4.302 -3.641 6.390 420 HG2 ARG 50 2HG ARG 50 -2.252 -1.510 6.486 421 HG3 ARG 50 1HG ARG 50 -3.921 -0.939 6.449 422 HD2 ARG 50 2HD ARG 50 -4.216 -2.877 8.280 423 HD3 ARG 50 1HD ARG 50 -2.502 -2.502 8.556 424 HE ARG 50 HE ARG 50 -3.616 -0.006 8.402 425 HH11 ARG 50 1HH1 ARG 50 -2.736 -1.002 11.044 426 HH12 ARG 50 2HH1 ARG 50 -4.202 -0.991 11.968 427 HH21 ARG 50 1HH2 ARG 50 -6.264 -0.794 9.187 428 HH22 ARG 50 2HH2 ARG 50 -6.200 -0.873 10.916 429 H ARG 51 H ARG 51 -3.492 -3.626 3.089 430 HA ARG 51 HA ARG 51 -4.525 -6.185 2.660 431 HB2 ARG 51 2HB ARG 51 -4.858 -4.368 1.096 432 HB3 ARG 51 1HB ARG 51 -3.125 -4.233 0.803 433 HG2 ARG 51 2HG ARG 51 -4.434 -6.870 0.281 434 HG3 ARG 51 1HG ARG 51 -4.699 -5.568 -0.880 435 HD2 ARG 51 2HD ARG 51 -1.898 -5.655 -0.154 436 HD3 ARG 51 1HD ARG 51 -2.431 -7.252 -0.717 437 HE ARG 51 HE ARG 51 -2.378 -4.793 -2.323 438 HH11 ARG 51 1HH2 ARG 51 -2.504 -8.127 -2.373 439 HH12 ARG 51 2HH2 ARG 51 -3.497 -8.256 -3.787 440 HH21 ARG 51 1HH1 ARG 51 -4.185 -4.860 -3.935 441 HH22 ARG 51 2HH1 ARG 51 -4.453 -6.407 -4.668 442 H LEU 52 H LEU 52 -1.191 -5.026 2.195 443 HA LEU 52 HA LEU 52 -0.132 -7.524 1.208 444 HB2 LEU 52 2HB LEU 52 1.151 -5.192 2.672 445 HB3 LEU 52 1HB LEU 52 2.026 -6.419 1.757 446 HG LEU 52 HG LEU 52 -0.085 -4.575 0.601 447 HD11 LEU 52 1HD1 LEU 52 1.806 -3.215 1.044 448 HD12 LEU 52 2HD1 LEU 52 1.999 -3.698 -0.639 449 HD13 LEU 52 3HD1 LEU 52 2.933 -4.502 0.620 450 HD21 LEU 52 3HD2 LEU 52 1.335 -6.971 -0.355 451 HD22 LEU 52 1HD2 LEU 52 1.439 -5.597 -1.455 452 HD23 LEU 52 2HD2 LEU 52 -0.138 -6.218 -0.968 453 H GLU 53 H GLU 53 -0.770 -6.222 4.408 454 HA GLU 53 HA GLU 53 0.866 -7.994 5.959 455 HB2 GLU 53 2HB GLU 53 -1.084 -5.932 6.292 456 HB3 GLU 53 1HB GLU 53 -1.582 -7.298 7.290 457 HG2 GLU 53 2HG GLU 53 1.083 -5.857 7.344 458 HG3 GLU 53 1HG GLU 53 -0.117 -5.938 8.634 459 H ARG 54 H ARG 54 -2.693 -8.130 5.543 460 HA ARG 54 HA ARG 54 -3.146 -10.693 6.573 461 HB2 ARG 54 2HB ARG 54 -4.401 -9.056 4.364 462 HB3 ARG 54 1HB ARG 54 -5.076 -10.617 4.834 463 HG2 ARG 54 2HG ARG 54 -4.866 -9.581 7.274 464 HG3 ARG 54 1HG ARG 54 -4.952 -8.062 6.383 465 HD2 ARG 54 2HD ARG 54 -7.221 -8.395 6.569 466 HD3 ARG 54 1HD ARG 54 -6.971 -9.482 5.188 467 HE ARG 54 HE ARG 54 -6.334 -11.014 7.435 468 HH11 ARG 54 1HH1 ARG 54 -8.853 -10.763 5.409 469 HH12 ARG 54 2HH1 ARG 54 -10.108 -11.082 6.559 470 HH21 ARG 54 1HH2 ARG 54 -8.029 -10.759 9.316 471 HH22 ARG 54 2HH2 ARG 54 -9.641 -11.080 8.770 472 H GLN 55 H GLN 55 -1.751 -9.781 3.484 473 HA GLN 55 HA GLN 55 -1.998 -12.465 2.322 474 HB2 GLN 55 2HB GLN 55 -0.595 -9.889 1.559 475 HB3 GLN 55 1HB GLN 55 -0.563 -11.333 0.546 476 HG2 GLN 55 2HG GLN 55 -3.130 -10.041 1.507 477 HG3 GLN 55 1HG GLN 55 -2.379 -9.658 -0.042 478 HE21 GLN 55 1HE2 GLN 55 -4.512 -10.616 -0.903 479 HE22 GLN 55 2HE2 GLN 55 -4.589 -12.299 -1.111 480 H GLY 56 H GLY 56 -0.143 -11.375 4.782 481 HA2 GLY 56 2HA GLY 56 1.830 -12.191 5.764 482 HA3 GLY 56 1HA GLY 56 1.758 -13.520 4.607 483 H PHE 57 H PHE 57 2.349 -9.984 4.463 484 HA PHE 57 HA PHE 57 4.910 -10.531 3.043 485 HB2 PHE 57 2HB PHE 57 2.412 -9.704 1.862 486 HB3 PHE 57 1HB PHE 57 3.604 -8.416 1.675 487 HD1 PHE 57 2HD PHE 57 3.145 -12.103 1.231 488 HD2 PHE 57 1HD PHE 57 5.278 -8.575 0.029 489 HE1 PHE 57 2HE PHE 57 4.249 -13.388 -0.579 490 HE2 PHE 57 1HE PHE 57 6.383 -9.860 -1.781 491 HZ PHE 57 HZ PHE 57 5.868 -12.267 -2.085 492 H ILE 58 H ILE 58 3.523 -9.082 5.557 493 HA ILE 58 HA ILE 58 5.416 -6.776 5.492 494 HB ILE 58 HB ILE 58 2.577 -6.567 6.497 495 HG12 ILE 58 2HG1 ILE 58 2.605 -7.266 4.082 496 HG13 ILE 58 1HG1 ILE 58 1.933 -5.654 4.333 497 HG21 ILE 58 1HG2 ILE 58 2.966 -4.245 6.449 498 HG22 ILE 58 2HG2 ILE 58 4.331 -4.403 5.341 499 HG23 ILE 58 3HG2 ILE 58 4.499 -4.898 7.027 500 HD11 ILE 58 3HD1 ILE 58 4.004 -6.300 2.586 501 HD12 ILE 58 1HD1 ILE 58 4.836 -5.597 3.974 502 HD13 ILE 58 2HD1 ILE 58 3.585 -4.677 3.136 503 H GLN 59 H GLN 59 5.453 -9.397 6.872 504 HA GLN 59 HA GLN 59 4.882 -8.772 9.698 505 HB2 GLN 59 2HB GLN 59 5.838 -11.120 9.944 506 HB3 GLN 59 1HB GLN 59 4.432 -11.003 8.886 507 HG2 GLN 59 2HG GLN 59 5.625 -11.581 7.045 508 HG3 GLN 59 1HG GLN 59 6.987 -10.557 7.500 509 HE21 GLN 59 1HE2 GLN 59 7.603 -11.696 10.048 510 HE22 GLN 59 2HE2 GLN 59 8.142 -13.288 9.815 511 H GLY 60 H GLY 60 7.340 -8.099 7.546 512 HA2 GLY 60 2HA GLY 60 9.310 -7.827 9.775 513 HA3 GLY 60 1HA GLY 60 9.814 -8.406 8.185 514 H TYR 61 H TYR 61 8.242 -6.695 6.580 515 HA TYR 61 HA TYR 61 9.859 -4.352 6.420 516 HB2 TYR 61 2HB TYR 61 7.042 -4.800 5.404 517 HB3 TYR 61 1HB TYR 61 8.259 -3.729 4.714 518 HD1 TYR 61 1HD TYR 61 10.651 -5.597 5.127 519 HD2 TYR 61 2HD TYR 61 6.731 -6.241 3.490 520 HE1 TYR 61 1HE TYR 61 11.529 -7.470 3.759 521 HE2 TYR 61 2HE TYR 61 7.610 -8.114 2.124 522 HH TYR 61 HH TYR 61 9.801 -9.777 2.477 523 H THR 62 H THR 62 6.758 -3.147 6.222 524 HA THR 62 HA THR 62 7.150 -1.516 8.622 525 HB THR 62 HB THR 62 6.192 -0.907 6.272 526 HG1 THR 62 1HG THR 62 4.707 0.585 7.385 527 HG21 THR 62 3HG2 THR 62 4.145 -1.657 5.702 528 HG22 THR 62 1HG2 THR 62 3.488 -1.235 7.283 529 HG23 THR 62 2HG2 THR 62 4.290 -2.784 7.046 530 H ALA 63 H ALA 63 6.519 -4.510 8.750 531 HA ALA 63 HA ALA 63 4.013 -5.252 9.537 532 HB1 ALA 63 1HB ALA 63 5.937 -5.968 11.598 533 HB2 ALA 63 2HB ALA 63 6.676 -6.051 9.999 534 HB3 ALA 63 3HB ALA 63 5.223 -6.988 10.349 535 H LEU 64 H LEU 64 6.133 -2.971 11.173 536 HA LEU 64 HA LEU 64 4.961 -2.720 13.706 537 HB2 LEU 64 2HB LEU 64 5.816 -0.388 13.546 538 HB3 LEU 64 1HB LEU 64 6.979 -1.545 12.904 539 HG LEU 64 HG LEU 64 5.667 -1.051 10.630 540 HD11 LEU 64 1HD1 LEU 64 5.562 1.701 11.782 541 HD12 LEU 64 2HD1 LEU 64 4.244 0.604 12.192 542 HD13 LEU 64 3HD1 LEU 64 4.582 0.982 10.504 543 HD21 LEU 64 3HD2 LEU 64 7.522 1.131 11.495 544 HD22 LEU 64 1HD2 LEU 64 7.525 0.182 10.008 545 HD23 LEU 64 2HD2 LEU 64 8.128 -0.526 11.508 546 H LEU 65 H LEU 65 3.869 -1.523 10.601 547 HA LEU 65 HA LEU 65 1.753 0.162 11.562 548 HB2 LEU 65 2HB LEU 65 1.381 0.474 9.291 549 HB3 LEU 65 1HB LEU 65 3.000 -0.217 9.211 550 HG LEU 65 HG LEU 65 1.704 -1.412 7.602 551 HD11 LEU 65 1HD1 LEU 65 2.721 -3.270 8.353 552 HD12 LEU 65 2HD1 LEU 65 1.250 -3.623 9.258 553 HD13 LEU 65 3HD1 LEU 65 2.569 -2.748 10.025 554 HD21 LEU 65 3HD2 LEU 65 -0.375 -2.478 9.364 555 HD22 LEU 65 1HD2 LEU 65 -0.523 -1.760 7.761 556 HD23 LEU 65 2HD2 LEU 65 -0.461 -0.726 9.187 557 H ASN 66 H ASN 66 2.105 -3.170 11.738 558 HA ASN 66 HA ASN 66 -0.806 -3.746 11.509 559 HB2 ASN 66 2HB ASN 66 1.344 -5.084 10.620 560 HB3 ASN 66 1HB ASN 66 1.262 -5.784 12.237 561 HD21 ASN 66 1HD2 ASN 66 0.408 -7.858 11.688 562 HD22 ASN 66 2HD2 ASN 66 -1.105 -8.075 10.950 Start of MODEL 22 1 H1 MET 1 1HT MET 1 20.078 -8.415 -9.025 2 H2 MET 1 2HT MET 1 21.671 -8.251 -8.458 3 H3 MET 1 3HT MET 1 20.606 -6.930 -8.397 4 HA MET 1 HA MET 1 20.405 -9.439 -6.809 5 HB2 MET 1 2HB MET 1 21.841 -7.009 -6.549 6 HB3 MET 1 1HB MET 1 20.496 -6.907 -5.412 7 HG2 MET 1 2HG MET 1 21.190 -9.361 -4.789 8 HG3 MET 1 1HG MET 1 22.731 -8.914 -5.520 9 HE1 MET 1 2HE MET 1 20.427 -6.192 -3.244 10 HE2 MET 1 3HE MET 1 20.541 -7.358 -1.928 11 HE3 MET 1 1HE MET 1 19.915 -7.858 -3.503 12 H VAL 2 H VAL 2 19.120 -6.090 -6.831 13 HA VAL 2 HA VAL 2 16.593 -6.883 -5.660 14 HB VAL 2 HB VAL 2 16.036 -4.481 -6.296 15 HG11 VAL 2 1HG1 VAL 2 18.629 -5.106 -4.856 16 HG12 VAL 2 2HG1 VAL 2 17.028 -4.928 -4.138 17 HG13 VAL 2 3HG1 VAL 2 17.849 -3.525 -4.820 18 HG21 VAL 2 3HG2 VAL 2 17.255 -3.478 -7.902 19 HG22 VAL 2 1HG2 VAL 2 18.204 -4.952 -8.087 20 HG23 VAL 2 2HG2 VAL 2 18.721 -3.709 -6.948 21 H ASP 3 H ASP 3 16.347 -8.661 -7.461 22 HA ASP 3 HA ASP 3 15.654 -7.963 -10.145 23 HB2 ASP 3 2HB ASP 3 15.522 -10.242 -8.298 24 HB3 ASP 3 1HB ASP 3 14.217 -10.245 -9.485 25 H SER 4 H SER 4 13.392 -8.983 -7.552 26 HA SER 4 HA SER 4 11.584 -6.775 -7.866 27 HB2 SER 4 2HB SER 4 9.870 -7.948 -9.232 28 HB3 SER 4 1HB SER 4 11.379 -7.758 -10.120 29 HG SER 4 HG SER 4 11.776 -9.859 -9.931 30 H LYS 5 H LYS 5 9.436 -7.274 -6.783 31 HA LYS 5 HA LYS 5 9.877 -9.093 -4.494 32 HB2 LYS 5 2HB LYS 5 7.540 -7.274 -5.162 33 HB3 LYS 5 1HB LYS 5 7.976 -7.901 -3.572 34 HG2 LYS 5 2HG LYS 5 10.130 -6.421 -4.958 35 HG3 LYS 5 1HG LYS 5 8.735 -5.445 -4.500 36 HD2 LYS 5 2HD LYS 5 10.335 -5.440 -2.661 37 HD3 LYS 5 1HD LYS 5 8.913 -6.369 -2.180 38 HE2 LYS 5 2HE LYS 5 10.989 -7.986 -3.524 39 HE3 LYS 5 1HE LYS 5 11.488 -7.302 -1.965 40 HZ1 LYS 5 3HZ LYS 5 9.302 -9.157 -2.567 41 HZ2 LYS 5 1HZ LYS 5 9.043 -8.016 -1.339 42 HZ3 LYS 5 2HZ LYS 5 10.338 -9.109 -1.222 43 H LYS 6 H LYS 6 8.302 -10.759 -3.935 44 HA LYS 6 HA LYS 6 7.079 -12.013 -6.334 45 HB2 LYS 6 2HB LYS 6 7.447 -12.968 -3.472 46 HB3 LYS 6 1HB LYS 6 6.975 -13.974 -4.842 47 HG2 LYS 6 2HG LYS 6 9.324 -12.581 -5.619 48 HG3 LYS 6 1HG LYS 6 9.620 -13.226 -4.003 49 HD2 LYS 6 2HD LYS 6 8.474 -14.880 -6.266 50 HD3 LYS 6 1HD LYS 6 10.197 -14.811 -5.893 51 HE2 LYS 6 2HE LYS 6 9.817 -16.486 -4.402 52 HE3 LYS 6 1HE LYS 6 8.945 -15.293 -3.419 53 HZ1 LYS 6 3HZ LYS 6 7.901 -17.313 -5.236 54 HZ2 LYS 6 1HZ LYS 6 7.138 -15.799 -5.300 55 HZ3 LYS 6 2HZ LYS 6 7.205 -16.653 -3.834 56 H ARG 7 H ARG 7 5.362 -13.356 -3.980 57 HA ARG 7 HA ARG 7 3.152 -13.079 -3.174 58 HB2 ARG 7 2HB ARG 7 4.569 -10.638 -2.905 59 HB3 ARG 7 1HB ARG 7 2.981 -10.211 -3.540 60 HG2 ARG 7 2HG ARG 7 2.511 -10.261 -1.264 61 HG3 ARG 7 1HG ARG 7 2.155 -11.934 -1.692 62 HD2 ARG 7 2HD ARG 7 4.955 -11.172 -0.872 63 HD3 ARG 7 1HD ARG 7 3.718 -11.491 0.360 64 HE ARG 7 HE ARG 7 3.380 -13.620 -1.306 65 HH11 ARG 7 1HH1 ARG 7 6.426 -12.381 -1.456 66 HH12 ARG 7 2HH1 ARG 7 7.236 -13.732 -0.737 67 HH21 ARG 7 1HH2 ARG 7 4.307 -15.284 0.284 68 HH22 ARG 7 2HH2 ARG 7 6.037 -15.377 0.247 69 HA PRO 8 HA PRO 8 0.478 -12.487 -6.625 70 HB2 PRO 8 2HB PRO 8 -1.349 -10.510 -6.071 71 HB3 PRO 8 1HB PRO 8 -1.422 -12.135 -5.363 72 HG2 PRO 8 2HG PRO 8 -0.390 -9.599 -4.185 73 HG3 PRO 8 1HG PRO 8 -1.324 -10.898 -3.426 74 HD2 PRO 8 2HD PRO 8 1.350 -10.620 -3.099 75 HD3 PRO 8 1HD PRO 8 0.540 -12.195 -3.048 76 H GLY 9 H GLY 9 2.795 -11.314 -7.207 77 HA2 GLY 9 2HA GLY 9 2.998 -8.581 -7.721 78 HA3 GLY 9 1HA GLY 9 3.734 -9.815 -8.748 79 H LYS 10 H LYS 10 0.985 -10.949 -9.301 80 HA LYS 10 HA LYS 10 0.446 -9.588 -11.755 81 HB2 LYS 10 2HB LYS 10 -1.571 -11.039 -11.725 82 HB3 LYS 10 1HB LYS 10 -0.134 -11.933 -11.227 83 HG2 LYS 10 2HG LYS 10 -0.727 -11.717 -8.892 84 HG3 LYS 10 1HG LYS 10 -2.057 -10.626 -9.283 85 HD2 LYS 10 2HD LYS 10 -3.291 -12.371 -10.367 86 HD3 LYS 10 1HD LYS 10 -1.901 -13.457 -10.345 87 HE2 LYS 10 2HE LYS 10 -2.492 -12.548 -7.653 88 HE3 LYS 10 1HE LYS 10 -3.922 -13.298 -8.390 89 HZ1 LYS 10 3HZ LYS 10 -1.930 -14.713 -7.338 90 HZ2 LYS 10 1HZ LYS 10 -1.367 -14.578 -8.933 91 HZ3 LYS 10 2HZ LYS 10 -2.885 -15.277 -8.625 92 H ASP 11 H ASP 11 -2.600 -9.693 -10.979 93 HA ASP 11 HA ASP 11 -3.220 -6.991 -10.923 94 HB2 ASP 11 2HB ASP 11 -4.482 -9.479 -9.803 95 HB3 ASP 11 1HB ASP 11 -5.251 -7.920 -9.503 96 H LEU 12 H LEU 12 -1.751 -5.793 -9.584 97 HA LEU 12 HA LEU 12 -2.217 -6.122 -6.637 98 HB2 LEU 12 2HB LEU 12 0.112 -6.583 -8.097 99 HB3 LEU 12 1HB LEU 12 0.351 -4.964 -7.441 100 HG LEU 12 HG LEU 12 -0.606 -7.252 -5.718 101 HD11 LEU 12 1HD1 LEU 12 1.771 -7.402 -6.985 102 HD12 LEU 12 2HD1 LEU 12 1.534 -7.987 -5.338 103 HD13 LEU 12 3HD1 LEU 12 2.240 -6.395 -5.615 104 HD21 LEU 12 3HD2 LEU 12 -0.056 -4.433 -5.375 105 HD22 LEU 12 1HD2 LEU 12 0.997 -5.389 -4.333 106 HD23 LEU 12 2HD2 LEU 12 -0.754 -5.572 -4.223 107 H ASP 13 H ASP 13 -2.656 -4.205 -5.545 108 HA ASP 13 HA ASP 13 -3.476 -1.873 -6.974 109 HB2 ASP 13 2HB ASP 13 -3.034 -2.763 -4.182 110 HB3 ASP 13 1HB ASP 13 -2.995 -1.016 -4.423 111 H ARG 14 H ARG 14 -2.264 -0.257 -7.835 112 HA ARG 14 HA ARG 14 0.475 -0.166 -8.094 113 HB2 ARG 14 2HB ARG 14 -1.629 1.388 -8.801 114 HB3 ARG 14 1HB ARG 14 -0.885 2.431 -7.588 115 HG2 ARG 14 2HG ARG 14 -0.005 2.857 -9.884 116 HG3 ARG 14 1HG ARG 14 1.252 2.336 -8.761 117 HD2 ARG 14 2HD ARG 14 1.744 0.619 -10.155 118 HD3 ARG 14 1HD ARG 14 0.103 -0.014 -9.921 119 HE ARG 14 HE ARG 14 -0.240 2.103 -11.684 120 HH11 ARG 14 1HH2 ARG 14 -0.693 -0.779 -12.446 121 HH12 ARG 14 2HH2 ARG 14 0.404 -0.969 -13.772 122 HH21 ARG 14 1HH1 ARG 14 2.224 1.885 -13.021 123 HH22 ARG 14 2HH1 ARG 14 2.057 0.537 -14.096 124 H ILE 15 H ILE 15 -1.417 0.941 -5.323 125 HA ILE 15 HA ILE 15 0.788 2.231 -3.950 126 HB ILE 15 HB ILE 15 -1.750 1.075 -2.783 127 HG12 ILE 15 2HG1 ILE 15 -2.538 2.272 -4.677 128 HG13 ILE 15 1HG1 ILE 15 -2.661 3.423 -3.349 129 HG21 ILE 15 1HG2 ILE 15 0.364 2.894 -1.911 130 HG22 ILE 15 2HG2 ILE 15 -0.866 2.069 -0.958 131 HG23 ILE 15 3HG2 ILE 15 -1.244 3.600 -1.745 132 HD11 ILE 15 3HD1 ILE 15 -0.110 3.893 -4.181 133 HD12 ILE 15 1HD1 ILE 15 -1.510 4.794 -4.763 134 HD13 ILE 15 2HD1 ILE 15 -0.873 3.447 -5.707 135 H ASP 16 H ASP 16 -0.594 -1.028 -3.934 136 HA ASP 16 HA ASP 16 0.935 -1.924 -1.623 137 HB2 ASP 16 2HB ASP 16 -0.625 -3.286 -3.840 138 HB3 ASP 16 1HB ASP 16 0.076 -4.161 -2.478 139 H ARG 17 H ARG 17 1.243 -2.406 -5.165 140 HA ARG 17 HA ARG 17 3.577 -4.042 -5.058 141 HB2 ARG 17 2HB ARG 17 3.786 -3.319 -7.447 142 HB3 ARG 17 1HB ARG 17 2.145 -3.814 -7.030 143 HG2 ARG 17 2HG ARG 17 1.672 -1.810 -8.073 144 HG3 ARG 17 1HG ARG 17 1.915 -1.223 -6.429 145 HD2 ARG 17 2HD ARG 17 3.389 0.207 -7.493 146 HD3 ARG 17 1HD ARG 17 4.486 -1.181 -7.333 147 HE ARG 17 HE ARG 17 2.727 -1.037 -9.732 148 HH11 ARG 17 1HH1 ARG 17 5.627 0.290 -8.744 149 HH12 ARG 17 2HH1 ARG 17 6.591 -0.417 -9.998 150 HH21 ARG 17 1HH2 ARG 17 4.052 -2.478 -11.154 151 HH22 ARG 17 2HH2 ARG 17 5.700 -1.985 -11.361 152 H ASN 18 H ASN 18 3.221 -0.532 -5.384 153 HA ASN 18 HA ASN 18 6.053 0.010 -5.518 154 HB2 ASN 18 2HB ASN 18 3.478 1.458 -5.226 155 HB3 ASN 18 1HB ASN 18 4.885 2.295 -4.570 156 HD21 ASN 18 1HD2 ASN 18 3.327 2.982 -7.041 157 HD22 ASN 18 2HD2 ASN 18 4.449 2.943 -8.313 158 H ILE 19 H ILE 19 3.687 -0.258 -2.907 159 HA ILE 19 HA ILE 19 5.428 0.692 -0.804 160 HB ILE 19 HB ILE 19 2.848 -0.832 -1.078 161 HG12 ILE 19 2HG1 ILE 19 3.633 1.683 0.433 162 HG13 ILE 19 1HG1 ILE 19 2.931 1.656 -1.185 163 HG21 ILE 19 1HG2 ILE 19 4.159 -1.928 0.764 164 HG22 ILE 19 2HG2 ILE 19 2.689 -1.136 1.325 165 HG23 ILE 19 3HG2 ILE 19 4.254 -0.361 1.569 166 HD11 ILE 19 3HD1 ILE 19 1.366 1.974 0.907 167 HD12 ILE 19 1HD1 ILE 19 1.530 0.225 1.052 168 HD13 ILE 19 2HD1 ILE 19 0.852 0.927 -0.416 169 H LEU 20 H LEU 20 4.810 -2.456 -2.316 170 HA LEU 20 HA LEU 20 6.272 -4.017 -0.353 171 HB2 LEU 20 2HB LEU 20 5.384 -4.392 -3.228 172 HB3 LEU 20 1HB LEU 20 6.239 -5.656 -2.344 173 HG LEU 20 HG LEU 20 3.681 -4.341 -1.389 174 HD11 LEU 20 1HD1 LEU 20 4.191 -6.538 -3.269 175 HD12 LEU 20 2HD1 LEU 20 2.704 -5.636 -2.972 176 HD13 LEU 20 3HD1 LEU 20 3.135 -6.994 -1.932 177 HD21 LEU 20 3HD2 LEU 20 5.458 -6.556 -0.383 178 HD22 LEU 20 1HD2 LEU 20 3.743 -6.532 0.026 179 HD23 LEU 20 2HD2 LEU 20 4.783 -5.192 0.507 180 H ASN 21 H ASN 21 7.103 -2.420 -3.431 181 HA ASN 21 HA ASN 21 9.815 -3.428 -3.557 182 HB2 ASN 21 2HB ASN 21 8.064 -2.071 -5.186 183 HB3 ASN 21 1HB ASN 21 9.188 -0.790 -4.734 184 HD21 ASN 21 1HD2 ASN 21 9.039 -4.049 -6.205 185 HD22 ASN 21 2HD2 ASN 21 10.518 -3.920 -7.028 186 H GLU 22 H GLU 22 8.246 -0.659 -2.030 187 HA GLU 22 HA GLU 22 10.749 0.658 -1.300 188 HB2 GLU 22 2HB GLU 22 9.314 2.342 -0.668 189 HB3 GLU 22 1HB GLU 22 8.149 1.411 -1.604 190 HG2 GLU 22 2HG GLU 22 7.039 1.733 0.444 191 HG3 GLU 22 1HG GLU 22 7.735 0.125 0.624 192 H LEU 23 H LEU 23 8.500 -1.615 0.174 193 HA LEU 23 HA LEU 23 9.610 -1.461 2.848 194 HB2 LEU 23 2HB LEU 23 7.806 -3.253 1.253 195 HB3 LEU 23 1HB LEU 23 8.415 -3.834 2.803 196 HG LEU 23 HG LEU 23 6.876 -1.268 2.320 197 HD11 LEU 23 1HD1 LEU 23 6.136 -3.989 3.037 198 HD12 LEU 23 2HD1 LEU 23 5.099 -2.623 2.626 199 HD13 LEU 23 3HD1 LEU 23 5.653 -2.843 4.286 200 HD21 LEU 23 3HD2 LEU 23 8.747 -1.986 4.387 201 HD22 LEU 23 1HD2 LEU 23 7.130 -1.892 5.081 202 HD23 LEU 23 2HD2 LEU 23 7.802 -0.505 4.227 203 H GLN 24 H GLN 24 10.223 -3.464 -0.017 204 HA GLN 24 HA GLN 24 12.078 -5.284 1.236 205 HB2 GLN 24 2HB GLN 24 11.063 -5.882 -0.841 206 HB3 GLN 24 1HB GLN 24 11.506 -4.344 -1.582 207 HG2 GLN 24 2HG GLN 24 13.001 -6.098 -2.398 208 HG3 GLN 24 1HG GLN 24 13.909 -4.975 -1.384 209 HE21 GLN 24 1HE2 GLN 24 13.226 -8.277 -1.849 210 HE22 GLN 24 2HE2 GLN 24 13.761 -8.850 -0.344 211 H LYS 25 H LYS 25 12.414 -2.169 -0.456 212 HA LYS 25 HA LYS 25 15.337 -2.165 -0.241 213 HB2 LYS 25 2HB LYS 25 15.137 -0.322 -1.622 214 HB3 LYS 25 1HB LYS 25 13.533 -0.999 -1.882 215 HG2 LYS 25 2HG LYS 25 12.597 0.458 -0.156 216 HG3 LYS 25 1HG LYS 25 14.202 1.090 0.213 217 HD2 LYS 25 2HD LYS 25 14.383 1.979 -2.080 218 HD3 LYS 25 1HD LYS 25 12.779 1.348 -2.453 219 HE2 LYS 25 2HE LYS 25 11.706 2.880 -0.998 220 HE3 LYS 25 1HE LYS 25 13.214 3.240 -0.133 221 HZ1 LYS 25 3HZ LYS 25 12.586 4.947 -1.815 222 HZ2 LYS 25 1HZ LYS 25 12.794 3.776 -3.024 223 HZ3 LYS 25 2HZ LYS 25 14.117 4.258 -2.074 224 H ASP 26 H ASP 26 12.610 -0.684 1.464 225 HA ASP 26 HA ASP 26 14.556 0.291 3.514 226 HB2 ASP 26 2HB ASP 26 12.514 1.571 2.010 227 HB3 ASP 26 1HB ASP 26 11.935 1.491 3.675 228 H GLY 27 H GLY 27 14.488 -1.674 4.764 229 HA2 GLY 27 2HA GLY 27 11.876 -2.698 5.655 230 HA3 GLY 27 1HA GLY 27 13.449 -3.380 6.067 231 H ARG 28 H ARG 28 12.999 0.039 6.442 232 HA ARG 28 HA ARG 28 12.643 -0.322 9.395 233 HB2 ARG 28 2HB ARG 28 14.384 1.390 9.691 234 HB3 ARG 28 1HB ARG 28 15.015 0.063 8.715 235 HG2 ARG 28 2HG ARG 28 13.722 2.413 7.360 236 HG3 ARG 28 1HG ARG 28 15.388 2.541 7.922 237 HD2 ARG 28 2HD ARG 28 14.960 0.016 6.531 238 HD3 ARG 28 1HD ARG 28 14.556 1.402 5.498 239 HE ARG 28 HE ARG 28 16.929 2.112 6.817 240 HH11 ARG 28 1HH1 ARG 28 17.445 -0.870 6.514 241 HH12 ARG 28 2HH1 ARG 28 18.267 -0.919 4.990 242 HH21 ARG 28 1HH2 ARG 28 17.297 2.279 4.064 243 HH22 ARG 28 2HH2 ARG 28 18.185 0.865 3.604 244 H ILE 29 H ILE 29 11.167 0.787 6.752 245 HA ILE 29 HA ILE 29 10.486 3.513 7.631 246 HB ILE 29 HB ILE 29 10.758 2.928 5.259 247 HG12 ILE 29 2HG1 ILE 29 7.802 3.347 5.732 248 HG13 ILE 29 1HG1 ILE 29 8.985 4.610 6.074 249 HG21 ILE 29 1HG2 ILE 29 9.483 0.562 6.008 250 HG22 ILE 29 2HG2 ILE 29 9.911 1.035 4.363 251 HG23 ILE 29 3HG2 ILE 29 8.299 1.381 4.991 252 HD11 ILE 29 3HD1 ILE 29 8.974 5.168 3.895 253 HD12 ILE 29 1HD1 ILE 29 7.877 3.834 3.534 254 HD13 ILE 29 2HD1 ILE 29 9.621 3.572 3.511 255 H SER 30 H SER 30 8.512 4.129 8.539 256 HA SER 30 HA SER 30 6.934 1.954 9.779 257 HB2 SER 30 2HB SER 30 6.798 4.975 10.037 258 HB3 SER 30 1HB SER 30 6.048 3.808 11.122 259 HG SER 30 HG SER 30 8.651 4.662 10.958 260 H ASN 31 H ASN 31 5.836 5.093 8.455 261 HA ASN 31 HA ASN 31 4.123 3.831 6.434 262 HB2 ASN 31 2HB ASN 31 2.846 3.281 8.401 263 HB3 ASN 31 1HB ASN 31 3.057 4.902 9.064 264 HD21 ASN 31 1HD2 ASN 31 1.839 3.462 5.978 265 HD22 ASN 31 2HD2 ASN 31 0.485 4.477 5.876 266 H VAL 32 H VAL 32 4.264 6.784 8.497 267 HA VAL 32 HA VAL 32 3.228 8.680 6.765 268 HB VAL 32 HB VAL 32 5.532 8.636 8.708 269 HG11 VAL 32 1HG1 VAL 32 4.638 11.065 7.125 270 HG12 VAL 32 2HG1 VAL 32 6.186 10.242 6.938 271 HG13 VAL 32 3HG1 VAL 32 5.803 11.069 8.448 272 HG21 VAL 32 3HG2 VAL 32 3.923 10.407 9.737 273 HG22 VAL 32 1HG2 VAL 32 3.440 8.712 9.787 274 HG23 VAL 32 2HG2 VAL 32 2.750 9.790 8.573 275 H GLU 33 H GLU 33 6.642 7.593 6.799 276 HA GLU 33 HA GLU 33 7.333 8.939 4.329 277 HB2 GLU 33 2HB GLU 33 8.858 8.151 6.210 278 HB3 GLU 33 1HB GLU 33 8.597 6.505 5.630 279 HG2 GLU 33 2HG GLU 33 10.165 6.795 4.047 280 HG3 GLU 33 1HG GLU 33 9.268 8.164 3.391 281 H LEU 34 H LEU 34 5.964 5.833 5.213 282 HA LEU 34 HA LEU 34 6.296 4.541 2.634 283 HB2 LEU 34 2HB LEU 34 5.607 3.849 5.220 284 HB3 LEU 34 1HB LEU 34 4.070 3.712 4.366 285 HG LEU 34 HG LEU 34 6.600 2.497 3.257 286 HD11 LEU 34 1HD1 LEU 34 4.607 1.269 5.186 287 HD12 LEU 34 2HD1 LEU 34 6.327 1.532 5.474 288 HD13 LEU 34 3HD1 LEU 34 5.805 0.348 4.276 289 HD21 LEU 34 3HD2 LEU 34 4.318 2.879 1.994 290 HD22 LEU 34 1HD2 LEU 34 3.793 1.477 2.927 291 HD23 LEU 34 2HD2 LEU 34 5.162 1.341 1.823 292 H SER 35 H SER 35 4.153 6.916 3.906 293 HA SER 35 HA SER 35 1.937 6.324 2.061 294 HB2 SER 35 2HB SER 35 0.814 7.965 3.316 295 HB3 SER 35 1HB SER 35 1.903 7.220 4.491 296 HG SER 35 HG SER 35 2.670 9.152 4.743 297 H LYS 36 H LYS 36 4.282 9.001 2.533 298 HA LYS 36 HA LYS 36 3.397 10.356 0.090 299 HB2 LYS 36 2HB LYS 36 5.622 10.739 2.109 300 HB3 LYS 36 1HB LYS 36 5.380 11.830 0.744 301 HG2 LYS 36 2HG LYS 36 3.552 12.795 1.686 302 HG3 LYS 36 1HG LYS 36 2.925 11.251 2.265 303 HD2 LYS 36 2HD LYS 36 3.475 12.498 4.227 304 HD3 LYS 36 1HD LYS 36 4.774 11.321 4.029 305 HE2 LYS 36 2HE LYS 36 5.695 13.572 4.526 306 HE3 LYS 36 1HE LYS 36 6.147 13.067 2.886 307 HZ1 LYS 36 3HZ LYS 36 4.755 14.552 1.947 308 HZ2 LYS 36 1HZ LYS 36 4.897 15.369 3.427 309 HZ3 LYS 36 2HZ LYS 36 3.560 14.361 3.139 310 H ARG 37 H ARG 37 5.736 7.907 0.830 311 HA ARG 37 HA ARG 37 7.560 8.515 -1.355 312 HB2 ARG 37 2HB ARG 37 8.641 6.495 -0.636 313 HB3 ARG 37 1HB ARG 37 8.017 7.266 0.821 314 HG2 ARG 37 2HG ARG 37 6.507 5.605 1.198 315 HG3 ARG 37 1HG ARG 37 6.110 5.446 -0.509 316 HD2 ARG 37 2HD ARG 37 8.837 4.558 0.309 317 HD3 ARG 37 1HD ARG 37 7.471 3.533 0.795 318 HE ARG 37 HE ARG 37 6.923 3.214 -1.534 319 HH11 ARG 37 1HH1 ARG 37 10.098 4.091 -1.009 320 HH12 ARG 37 2HH1 ARG 37 10.418 4.611 -2.630 321 HH21 ARG 37 1HH2 ARG 37 7.106 4.411 -3.633 322 HH22 ARG 37 2HH2 ARG 37 8.726 4.793 -4.114 323 H VAL 38 H VAL 38 4.522 6.963 -1.131 324 HA VAL 38 HA VAL 38 4.949 5.626 -3.771 325 HB VAL 38 HB VAL 38 2.646 4.563 -2.878 326 HG11 VAL 38 1HG1 VAL 38 5.326 3.781 -3.036 327 HG12 VAL 38 2HG1 VAL 38 3.939 2.722 -2.785 328 HG13 VAL 38 3HG1 VAL 38 4.832 3.348 -1.399 329 HG21 VAL 38 3HG2 VAL 38 2.590 5.990 -0.856 330 HG22 VAL 38 1HG2 VAL 38 4.154 5.342 -0.364 331 HG23 VAL 38 2HG2 VAL 38 2.746 4.286 -0.428 332 H GLY 39 H GLY 39 3.590 8.335 -2.350 333 HA2 GLY 39 2HA GLY 39 2.473 10.067 -3.547 334 HA3 GLY 39 1HA GLY 39 2.067 8.902 -4.806 335 H LEU 40 H LEU 40 1.449 8.690 -1.295 336 HA LEU 40 HA LEU 40 -1.450 9.121 -1.747 337 HB2 LEU 40 2HB LEU 40 -1.805 6.850 -0.534 338 HB3 LEU 40 1HB LEU 40 -1.362 6.806 -2.242 339 HG LEU 40 HG LEU 40 1.006 6.941 -0.612 340 HD11 LEU 40 1HD1 LEU 40 -1.046 5.569 0.692 341 HD12 LEU 40 2HD1 LEU 40 0.679 5.404 1.014 342 HD13 LEU 40 3HD1 LEU 40 -0.119 4.299 -0.104 343 HD21 LEU 40 3HD2 LEU 40 1.329 6.051 -2.720 344 HD22 LEU 40 1HD2 LEU 40 -0.211 5.196 -2.708 345 HD23 LEU 40 2HD2 LEU 40 1.156 4.562 -1.795 346 H SER 41 H SER 41 -2.633 9.120 0.343 347 HA SER 41 HA SER 41 -1.131 10.425 2.464 348 HB2 SER 41 2HB SER 41 -3.902 9.673 1.781 349 HB3 SER 41 1HB SER 41 -3.559 9.659 3.509 350 HG SER 41 HG SER 41 -3.431 11.754 3.477 351 HA PRO 42 HA PRO 42 0.007 6.901 4.654 352 HB2 PRO 42 2HB PRO 42 -0.158 7.744 7.247 353 HB3 PRO 42 1HB PRO 42 1.102 8.289 6.123 354 HG2 PRO 42 2HG PRO 42 -1.370 9.681 7.015 355 HG3 PRO 42 1HG PRO 42 0.233 10.341 6.657 356 HD2 PRO 42 2HD PRO 42 -1.925 10.461 4.943 357 HD3 PRO 42 1HD PRO 42 -0.226 10.568 4.434 358 H THR 43 H THR 43 -2.773 8.424 6.355 359 HA THR 43 HA THR 43 -3.911 6.359 7.722 360 HB THR 43 HB THR 43 -5.001 8.516 5.953 361 HG1 THR 43 1HG THR 43 -5.767 8.000 8.582 362 HG21 THR 43 3HG2 THR 43 -6.746 6.465 7.347 363 HG22 THR 43 1HG2 THR 43 -6.528 6.579 5.600 364 HG23 THR 43 2HG2 THR 43 -7.308 7.894 6.479 365 HA PRO 44 HA PRO 44 -5.645 4.250 3.802 366 HB2 PRO 44 2HB PRO 44 -4.888 5.235 1.359 367 HB3 PRO 44 1HB PRO 44 -6.320 5.822 2.228 368 HG2 PRO 44 2HG PRO 44 -3.620 7.049 1.979 369 HG3 PRO 44 1HG PRO 44 -5.212 7.822 2.019 370 HD2 PRO 44 2HD PRO 44 -3.494 7.713 4.165 371 HD3 PRO 44 1HD PRO 44 -5.256 7.888 4.302 372 H CYS 45 H CYS 45 -2.419 5.712 3.187 373 HA CYS 45 HA CYS 45 -1.072 3.759 1.788 374 HB2 CYS 45 2HB CYS 45 -0.056 5.798 2.728 375 HB3 CYS 45 1HB CYS 45 -0.221 5.141 4.354 376 HG CYS 45 HG CYS 45 1.361 3.179 2.762 377 H LEU 46 H LEU 46 -1.730 3.684 5.297 378 HA LEU 46 HA LEU 46 -0.707 1.086 5.842 379 HB2 LEU 46 2HB LEU 46 -3.053 2.662 6.966 380 HB3 LEU 46 1HB LEU 46 -2.345 1.243 7.743 381 HG LEU 46 HG LEU 46 -0.155 2.843 7.174 382 HD11 LEU 46 1HD1 LEU 46 -1.550 4.821 8.681 383 HD12 LEU 46 2HD1 LEU 46 -2.481 4.496 7.220 384 HD13 LEU 46 3HD1 LEU 46 -0.794 4.993 7.098 385 HD21 LEU 46 3HD2 LEU 46 -1.152 1.511 9.304 386 HD22 LEU 46 1HD2 LEU 46 -1.441 3.171 9.828 387 HD23 LEU 46 2HD2 LEU 46 0.195 2.644 9.427 388 H GLU 47 H GLU 47 -4.016 2.154 5.059 389 HA GLU 47 HA GLU 47 -5.378 -0.243 4.877 390 HB2 GLU 47 2HB GLU 47 -5.523 2.418 3.801 391 HB3 GLU 47 1HB GLU 47 -5.989 1.271 2.546 392 HG2 GLU 47 2HG GLU 47 -7.366 0.197 4.570 393 HG3 GLU 47 1HG GLU 47 -7.299 1.857 5.165 394 H ARG 48 H ARG 48 -3.119 1.144 2.514 395 HA ARG 48 HA ARG 48 -3.359 -1.015 0.593 396 HB2 ARG 48 2HB ARG 48 -1.109 0.972 1.014 397 HB3 ARG 48 1HB ARG 48 -1.546 0.170 -0.496 398 HG2 ARG 48 2HG ARG 48 -3.706 1.720 0.834 399 HG3 ARG 48 1HG ARG 48 -2.387 2.662 0.140 400 HD2 ARG 48 2HD ARG 48 -3.217 2.327 -1.938 401 HD3 ARG 48 1HD ARG 48 -3.148 0.570 -1.703 402 HE ARG 48 HE ARG 48 -5.335 1.250 -0.210 403 HH11 ARG 48 1HH2 ARG 48 -4.761 3.363 -2.663 404 HH12 ARG 48 2HH2 ARG 48 -6.154 2.964 -3.613 405 HH21 ARG 48 1HH1 ARG 48 -6.956 0.157 -1.742 406 HH22 ARG 48 2HH1 ARG 48 -7.396 1.150 -3.091 407 H VAL 49 H VAL 49 -0.776 -0.077 2.893 408 HA VAL 49 HA VAL 49 0.889 -2.342 2.540 409 HB VAL 49 HB VAL 49 0.409 -0.186 4.517 410 HG11 VAL 49 1HG1 VAL 49 1.853 -1.268 6.243 411 HG12 VAL 49 2HG1 VAL 49 1.784 -2.774 5.329 412 HG13 VAL 49 3HG1 VAL 49 0.316 -2.106 6.042 413 HG21 VAL 49 3HG2 VAL 49 2.838 -1.532 3.295 414 HG22 VAL 49 1HG2 VAL 49 2.935 -0.170 4.411 415 HG23 VAL 49 2HG2 VAL 49 2.145 0.027 2.848 416 H ARG 50 H ARG 50 -1.841 -1.830 4.791 417 HA ARG 50 HA ARG 50 -1.740 -4.217 6.249 418 HB2 ARG 50 2HB ARG 50 -4.204 -2.863 5.108 419 HB3 ARG 50 1HB ARG 50 -4.130 -3.842 6.572 420 HG2 ARG 50 2HG ARG 50 -2.211 -1.601 6.515 421 HG3 ARG 50 1HG ARG 50 -3.902 -1.107 6.526 422 HD2 ARG 50 2HD ARG 50 -2.477 -2.870 8.545 423 HD3 ARG 50 1HD ARG 50 -3.275 -1.310 8.829 424 HE ARG 50 HE ARG 50 -4.642 -3.767 8.924 425 HH11 ARG 50 1HH2 ARG 50 -4.976 -0.522 7.940 426 HH12 ARG 50 2HH2 ARG 50 -6.598 -0.704 7.362 427 HH21 ARG 50 1HH1 ARG 50 -6.671 -4.137 7.852 428 HH22 ARG 50 2HH1 ARG 50 -7.559 -2.751 7.315 429 H ARG 51 H ARG 51 -3.326 -3.623 3.125 430 HA ARG 51 HA ARG 51 -4.325 -6.193 2.583 431 HB2 ARG 51 2HB ARG 51 -4.882 -4.669 0.943 432 HB3 ARG 51 1HB ARG 51 -3.334 -3.834 1.061 433 HG2 ARG 51 2HG ARG 51 -3.658 -5.058 -1.113 434 HG3 ARG 51 1HG ARG 51 -2.232 -5.575 -0.214 435 HD2 ARG 51 2HD ARG 51 -3.059 -7.687 -0.457 436 HD3 ARG 51 1HD ARG 51 -4.246 -7.224 0.779 437 HE ARG 51 HE ARG 51 -5.228 -6.178 -1.629 438 HH11 ARG 51 1HH2 ARG 51 -3.800 -9.212 -1.272 439 HH12 ARG 51 2HH2 ARG 51 -5.178 -10.112 -1.813 440 HH21 ARG 51 1HH1 ARG 51 -7.265 -7.344 -1.938 441 HH22 ARG 51 2HH1 ARG 51 -7.140 -9.054 -2.190 442 H LEU 52 H LEU 52 -1.033 -4.905 2.215 443 HA LEU 52 HA LEU 52 0.094 -7.299 1.040 444 HB2 LEU 52 2HB LEU 52 1.261 -4.946 2.560 445 HB3 LEU 52 1HB LEU 52 2.229 -6.137 1.693 446 HG LEU 52 HG LEU 52 0.077 -4.402 0.445 447 HD11 LEU 52 1HD1 LEU 52 3.101 -4.238 0.441 448 HD12 LEU 52 2HD1 LEU 52 1.959 -3.010 0.987 449 HD13 LEU 52 3HD1 LEU 52 2.090 -3.391 -0.730 450 HD21 LEU 52 3HD2 LEU 52 1.825 -6.635 -0.524 451 HD22 LEU 52 1HD2 LEU 52 1.456 -5.316 -1.635 452 HD23 LEU 52 2HD2 LEU 52 0.148 -6.269 -0.933 453 H GLU 53 H GLU 53 -0.772 -6.359 4.261 454 HA GLU 53 HA GLU 53 1.039 -8.177 5.656 455 HB2 GLU 53 2HB GLU 53 -0.959 -6.134 6.206 456 HB3 GLU 53 1HB GLU 53 -1.165 -7.522 7.276 457 HG2 GLU 53 2HG GLU 53 1.489 -7.311 7.454 458 HG3 GLU 53 1HG GLU 53 1.137 -5.632 7.039 459 H ARG 54 H ARG 54 -2.509 -8.147 5.147 460 HA ARG 54 HA ARG 54 -3.243 -10.589 6.223 461 HB2 ARG 54 2HB ARG 54 -4.067 -8.992 3.819 462 HB3 ARG 54 1HB ARG 54 -4.821 -10.563 4.092 463 HG2 ARG 54 2HG ARG 54 -5.914 -9.865 5.986 464 HG3 ARG 54 1HG ARG 54 -4.627 -8.746 6.439 465 HD2 ARG 54 2HD ARG 54 -6.584 -7.443 5.765 466 HD3 ARG 54 1HD ARG 54 -5.345 -7.273 4.505 467 HE ARG 54 HE ARG 54 -6.600 -8.804 3.113 468 HH11 ARG 54 1HH1 ARG 54 -8.654 -6.986 4.722 469 HH12 ARG 54 2HH1 ARG 54 -9.910 -8.155 4.963 470 HH21 ARG 54 1HH2 ARG 54 -7.933 -10.854 4.054 471 HH22 ARG 54 2HH2 ARG 54 -9.500 -10.346 4.585 472 H GLN 55 H GLN 55 -2.006 -10.094 2.896 473 HA GLN 55 HA GLN 55 -1.953 -12.907 2.249 474 HB2 GLN 55 2HB GLN 55 -0.621 -12.063 0.308 475 HB3 GLN 55 1HB GLN 55 -2.087 -11.120 0.579 476 HG2 GLN 55 2HG GLN 55 -0.858 -9.364 1.659 477 HG3 GLN 55 1HG GLN 55 0.604 -10.348 1.727 478 HE21 GLN 55 1HE2 GLN 55 1.565 -8.419 0.488 479 HE22 GLN 55 2HE2 GLN 55 1.380 -8.392 -1.200 480 H GLY 56 H GLY 56 -0.100 -11.186 4.411 481 HA2 GLY 56 2HA GLY 56 1.802 -11.860 5.627 482 HA3 GLY 56 1HA GLY 56 1.845 -13.329 4.650 483 H PHE 57 H PHE 57 2.402 -9.809 4.251 484 HA PHE 57 HA PHE 57 4.924 -10.479 2.810 485 HB2 PHE 57 2HB PHE 57 2.793 -10.070 1.346 486 HB3 PHE 57 1HB PHE 57 3.024 -8.378 1.782 487 HD1 PHE 57 1HD PHE 57 6.206 -9.784 1.901 488 HD2 PHE 57 2HD PHE 57 3.217 -8.592 -0.947 489 HE1 PHE 57 1HE PHE 57 7.950 -9.585 0.155 490 HE2 PHE 57 2HE PHE 57 4.967 -8.393 -2.694 491 HZ PHE 57 HZ PHE 57 7.332 -8.891 -2.142 492 H ILE 58 H ILE 58 3.654 -8.979 5.361 493 HA ILE 58 HA ILE 58 5.635 -6.741 5.245 494 HB ILE 58 HB ILE 58 2.937 -6.477 6.552 495 HG12 ILE 58 2HG1 ILE 58 2.640 -7.209 4.153 496 HG13 ILE 58 1HG1 ILE 58 2.011 -5.597 4.491 497 HG21 ILE 58 1HG2 ILE 58 4.838 -4.832 6.896 498 HG22 ILE 58 2HG2 ILE 58 3.350 -4.129 6.261 499 HG23 ILE 58 3HG2 ILE 58 4.709 -4.442 5.179 500 HD11 ILE 58 3HD1 ILE 58 3.928 -6.310 2.536 501 HD12 ILE 58 1HD1 ILE 58 4.801 -5.417 3.780 502 HD13 ILE 58 2HD1 ILE 58 3.410 -4.684 2.982 503 H GLN 59 H GLN 59 5.045 -9.541 6.678 504 HA GLN 59 HA GLN 59 4.954 -8.985 9.487 505 HB2 GLN 59 2HB GLN 59 5.826 -11.329 9.615 506 HB3 GLN 59 1HB GLN 59 4.481 -11.174 8.486 507 HG2 GLN 59 2HG GLN 59 5.828 -12.126 6.943 508 HG3 GLN 59 1HG GLN 59 6.722 -10.605 6.930 509 HE21 GLN 59 1HE2 GLN 59 7.592 -13.602 6.800 510 HE22 GLN 59 2HE2 GLN 59 8.825 -13.699 7.963 511 H GLY 60 H GLY 60 7.370 -8.459 7.160 512 HA2 GLY 60 2HA GLY 60 9.422 -8.141 9.312 513 HA3 GLY 60 1HA GLY 60 9.842 -8.694 7.689 514 H TYR 61 H TYR 61 8.080 -6.923 6.272 515 HA TYR 61 HA TYR 61 9.724 -4.592 6.012 516 HB2 TYR 61 2HB TYR 61 6.844 -5.126 5.210 517 HB3 TYR 61 1HB TYR 61 7.877 -3.874 4.529 518 HD1 TYR 61 2HD TYR 61 10.287 -6.101 5.024 519 HD2 TYR 61 1HD TYR 61 6.674 -5.821 2.715 520 HE1 TYR 61 2HE TYR 61 11.201 -7.733 3.395 521 HE2 TYR 61 1HE TYR 61 7.589 -7.453 1.087 522 HH TYR 61 HH TYR 61 10.409 -9.299 1.723 523 H THR 62 H THR 62 6.638 -3.347 6.088 524 HA THR 62 HA THR 62 7.227 -1.886 8.581 525 HB THR 62 HB THR 62 6.400 -0.900 6.376 526 HG1 THR 62 1HG THR 62 5.134 -0.478 8.845 527 HG21 THR 62 3HG2 THR 62 3.922 -0.968 6.069 528 HG22 THR 62 1HG2 THR 62 3.834 -2.178 7.349 529 HG23 THR 62 2HG2 THR 62 4.681 -2.541 5.846 530 H ALA 63 H ALA 63 6.472 -4.758 8.663 531 HA ALA 63 HA ALA 63 3.946 -5.531 9.279 532 HB1 ALA 63 1HB ALA 63 6.459 -6.394 9.891 533 HB2 ALA 63 2HB ALA 63 5.000 -7.143 10.538 534 HB3 ALA 63 3HB ALA 63 5.880 -5.954 11.497 535 H LEU 64 H LEU 64 5.877 -3.206 11.102 536 HA LEU 64 HA LEU 64 4.169 -2.844 13.369 537 HB2 LEU 64 2HB LEU 64 5.408 -0.653 13.464 538 HB3 LEU 64 1HB LEU 64 6.479 -2.031 13.218 539 HG LEU 64 HG LEU 64 5.507 -1.008 10.673 540 HD11 LEU 64 1HD1 LEU 64 7.363 1.004 11.433 541 HD12 LEU 64 2HD1 LEU 64 6.116 0.969 12.679 542 HD13 LEU 64 3HD1 LEU 64 5.669 1.215 10.992 543 HD21 LEU 64 3HD2 LEU 64 8.112 -0.718 10.483 544 HD22 LEU 64 1HD2 LEU 64 7.434 -2.341 10.605 545 HD23 LEU 64 2HD2 LEU 64 8.138 -1.571 12.026 546 H LEU 65 H LEU 65 4.200 0.221 12.417 547 HA LEU 65 HA LEU 65 2.419 1.671 11.835 548 HB2 LEU 65 2HB LEU 65 2.905 1.726 9.617 549 HB3 LEU 65 1HB LEU 65 3.497 0.069 9.692 550 HG LEU 65 HG LEU 65 0.556 0.732 9.432 551 HD11 LEU 65 1HD1 LEU 65 2.580 0.161 7.254 552 HD12 LEU 65 2HD1 LEU 65 1.736 1.689 7.512 553 HD13 LEU 65 3HD1 LEU 65 0.835 0.256 7.019 554 HD21 LEU 65 3HD2 LEU 65 0.809 -1.656 8.315 555 HD22 LEU 65 1HD2 LEU 65 0.702 -1.505 10.069 556 HD23 LEU 65 2HD2 LEU 65 2.273 -1.722 9.298 557 H ASN 66 H ASN 66 1.654 -0.999 13.244 558 HA ASN 66 HA ASN 66 -1.253 -0.649 12.896 559 HB2 ASN 66 2HB ASN 66 -0.679 -2.214 11.113 560 HB3 ASN 66 1HB ASN 66 0.236 -3.214 12.242 561 HD21 ASN 66 1HD2 ASN 66 -2.680 -1.836 13.537 562 HD22 ASN 66 2HD2 ASN 66 -3.629 -3.239 13.452 Start of MODEL 23 1 H1 MET 1 1HT MET 1 13.558 -15.781 -11.839 2 H2 MET 1 2HT MET 1 13.114 -15.490 -10.225 3 H3 MET 1 3HT MET 1 13.744 -17.002 -10.677 4 HA MET 1 HA MET 1 15.807 -16.311 -10.252 5 HB2 MET 1 2HB MET 1 16.716 -14.628 -11.771 6 HB3 MET 1 1HB MET 1 15.559 -15.619 -12.660 7 HG2 MET 1 2HG MET 1 13.827 -13.801 -11.925 8 HG3 MET 1 1HG MET 1 15.253 -12.799 -11.655 9 HE1 MET 1 2HE MET 1 13.018 -12.762 -15.268 10 HE2 MET 1 3HE MET 1 12.740 -12.521 -13.546 11 HE3 MET 1 1HE MET 1 12.729 -14.153 -14.225 12 H VAL 2 H VAL 2 13.721 -15.384 -8.455 13 HA VAL 2 HA VAL 2 15.167 -13.469 -6.895 14 HB VAL 2 HB VAL 2 14.633 -11.948 -8.709 15 HG11 VAL 2 1HG1 VAL 2 12.873 -12.797 -9.934 16 HG12 VAL 2 2HG1 VAL 2 11.991 -11.605 -8.981 17 HG13 VAL 2 3HG1 VAL 2 11.980 -13.301 -8.500 18 HG21 VAL 2 3HG2 VAL 2 12.848 -10.470 -7.446 19 HG22 VAL 2 1HG2 VAL 2 14.439 -10.725 -6.730 20 HG23 VAL 2 2HG2 VAL 2 13.057 -11.664 -6.167 21 H ASP 3 H ASP 3 14.215 -13.312 -4.839 22 HA ASP 3 HA ASP 3 11.432 -14.384 -4.539 23 HB2 ASP 3 2HB ASP 3 13.916 -15.053 -2.922 24 HB3 ASP 3 1HB ASP 3 12.292 -15.651 -2.575 25 H SER 4 H SER 4 13.482 -11.815 -4.026 26 HA SER 4 HA SER 4 13.124 -10.939 -1.387 27 HB2 SER 4 2HB SER 4 13.952 -9.930 -3.898 28 HB3 SER 4 1HB SER 4 12.765 -8.782 -3.283 29 HG SER 4 HG SER 4 15.213 -8.832 -2.609 30 H LYS 5 H LYS 5 11.050 -9.915 -4.133 31 HA LYS 5 HA LYS 5 8.807 -9.580 -2.169 32 HB2 LYS 5 2HB LYS 5 9.829 -8.078 -4.542 33 HB3 LYS 5 1HB LYS 5 8.087 -8.063 -4.268 34 HG2 LYS 5 2HG LYS 5 8.263 -6.817 -2.356 35 HG3 LYS 5 1HG LYS 5 9.774 -7.588 -1.873 36 HD2 LYS 5 2HD LYS 5 9.947 -5.130 -2.556 37 HD3 LYS 5 1HD LYS 5 11.055 -6.235 -3.370 38 HE2 LYS 5 2HE LYS 5 9.899 -4.625 -4.942 39 HE3 LYS 5 1HE LYS 5 9.585 -6.329 -5.328 40 HZ1 LYS 5 3HZ LYS 5 7.856 -4.890 -3.423 41 HZ2 LYS 5 1HZ LYS 5 7.500 -6.258 -4.359 42 HZ3 LYS 5 2HZ LYS 5 7.589 -4.728 -5.093 43 H LYS 6 H LYS 6 7.609 -11.473 -2.369 44 HA LYS 6 HA LYS 6 6.888 -12.349 -5.147 45 HB2 LYS 6 2HB LYS 6 6.547 -14.583 -3.945 46 HB3 LYS 6 1HB LYS 6 8.212 -14.011 -4.025 47 HG2 LYS 6 2HG LYS 6 6.776 -12.988 -1.686 48 HG3 LYS 6 1HG LYS 6 6.876 -14.749 -1.712 49 HD2 LYS 6 2HD LYS 6 9.315 -14.617 -2.038 50 HD3 LYS 6 1HD LYS 6 9.224 -12.855 -2.033 51 HE2 LYS 6 2HE LYS 6 7.949 -14.164 0.303 52 HE3 LYS 6 1HE LYS 6 9.713 -14.329 0.212 53 HZ1 LYS 6 3HZ LYS 6 8.933 -11.730 -0.587 54 HZ2 LYS 6 1HZ LYS 6 9.953 -12.184 0.690 55 HZ3 LYS 6 2HZ LYS 6 8.278 -12.066 0.944 56 H ARG 7 H ARG 7 5.102 -14.055 -2.918 57 HA ARG 7 HA ARG 7 2.829 -13.924 -2.252 58 HB2 ARG 7 2HB ARG 7 4.140 -11.446 -1.769 59 HB3 ARG 7 1HB ARG 7 2.549 -11.055 -2.418 60 HG2 ARG 7 2HG ARG 7 1.999 -11.287 -0.182 61 HG3 ARG 7 1HG ARG 7 1.792 -12.959 -0.705 62 HD2 ARG 7 2HD ARG 7 4.556 -12.628 -0.097 63 HD3 ARG 7 1HD ARG 7 3.631 -11.939 1.252 64 HE ARG 7 HE ARG 7 2.328 -14.334 0.560 65 HH11 ARG 7 1HH1 ARG 7 4.971 -13.100 2.317 66 HH12 ARG 7 2HH1 ARG 7 5.517 -14.645 2.879 67 HH21 ARG 7 1HH2 ARG 7 3.219 -16.436 0.997 68 HH22 ARG 7 2HH2 ARG 7 4.524 -16.533 2.131 69 HA PRO 8 HA PRO 8 0.350 -13.149 -5.820 70 HB2 PRO 8 2HB PRO 8 -1.646 -11.372 -5.179 71 HB3 PRO 8 1HB PRO 8 -1.636 -13.064 -4.640 72 HG2 PRO 8 2HG PRO 8 -0.877 -10.596 -3.155 73 HG3 PRO 8 1HG PRO 8 -1.729 -12.039 -2.586 74 HD2 PRO 8 2HD PRO 8 0.905 -11.565 -2.092 75 HD3 PRO 8 1HD PRO 8 0.217 -13.195 -2.199 76 H GLY 9 H GLY 9 2.615 -11.743 -6.084 77 HA2 GLY 9 2HA GLY 9 2.562 -8.948 -6.317 78 HA3 GLY 9 1HA GLY 9 3.559 -9.996 -7.330 79 H LYS 10 H LYS 10 1.513 -11.401 -8.678 80 HA LYS 10 HA LYS 10 0.957 -9.887 -10.931 81 HB2 LYS 10 2HB LYS 10 0.536 -12.374 -10.334 82 HB3 LYS 10 1HB LYS 10 -1.033 -11.828 -9.741 83 HG2 LYS 10 2HG LYS 10 -1.779 -11.981 -11.863 84 HG3 LYS 10 1HG LYS 10 -0.757 -10.594 -12.239 85 HD2 LYS 10 2HD LYS 10 1.019 -12.742 -12.207 86 HD3 LYS 10 1HD LYS 10 -0.421 -13.394 -12.991 87 HE2 LYS 10 2HE LYS 10 0.540 -10.675 -13.831 88 HE3 LYS 10 1HE LYS 10 1.394 -12.109 -14.434 89 HZ1 LYS 10 3HZ LYS 10 -0.594 -13.004 -15.288 90 HZ2 LYS 10 1HZ LYS 10 -0.603 -11.378 -15.773 91 HZ3 LYS 10 2HZ LYS 10 -1.561 -11.878 -14.462 92 H ASP 11 H ASP 11 -0.634 -8.384 -11.528 93 HA ASP 11 HA ASP 11 -2.261 -6.702 -11.185 94 HB2 ASP 11 2HB ASP 11 -3.280 -8.903 -9.356 95 HB3 ASP 11 1HB ASP 11 -4.246 -7.557 -9.963 96 H LEU 12 H LEU 12 -3.427 -7.285 -8.147 97 HA LEU 12 HA LEU 12 -3.011 -6.343 -6.015 98 HB2 LEU 12 2HB LEU 12 -0.530 -7.096 -7.162 99 HB3 LEU 12 1HB LEU 12 -0.286 -5.491 -6.470 100 HG LEU 12 HG LEU 12 -1.295 -7.972 -5.065 101 HD11 LEU 12 1HD1 LEU 12 0.658 -6.873 -3.524 102 HD12 LEU 12 2HD1 LEU 12 1.203 -6.379 -5.126 103 HD13 LEU 12 3HD1 LEU 12 0.967 -8.088 -4.763 104 HD21 LEU 12 3HD2 LEU 12 -2.684 -6.351 -4.119 105 HD22 LEU 12 1HD2 LEU 12 -1.505 -5.061 -4.353 106 HD23 LEU 12 2HD2 LEU 12 -1.270 -6.249 -3.070 107 H ASP 13 H ASP 13 -3.327 -4.254 -5.217 108 HA ASP 13 HA ASP 13 -3.900 -2.091 -6.923 109 HB2 ASP 13 2HB ASP 13 -3.971 -2.695 -4.215 110 HB3 ASP 13 1HB ASP 13 -2.834 -1.349 -4.291 111 H ARG 14 H ARG 14 -2.693 -0.058 -7.228 112 HA ARG 14 HA ARG 14 0.026 -0.501 -8.054 113 HB2 ARG 14 2HB ARG 14 -1.446 2.104 -7.558 114 HB3 ARG 14 1HB ARG 14 -0.102 1.844 -8.671 115 HG2 ARG 14 2HG ARG 14 -2.938 0.827 -8.891 116 HG3 ARG 14 1HG ARG 14 -2.028 1.791 -10.054 117 HD2 ARG 14 2HD ARG 14 -0.398 -0.307 -10.044 118 HD3 ARG 14 1HD ARG 14 -1.860 -1.153 -9.499 119 HE ARG 14 HE ARG 14 -2.700 -0.876 -11.685 120 HH11 ARG 14 1HH1 ARG 14 0.245 0.717 -11.553 121 HH12 ARG 14 2HH1 ARG 14 -0.106 1.847 -12.818 122 HH21 ARG 14 1HH2 ARG 14 -3.449 0.949 -13.055 123 HH22 ARG 14 2HH2 ARG 14 -2.198 1.977 -13.669 124 H ILE 15 H ILE 15 -1.446 0.977 -5.186 125 HA ILE 15 HA ILE 15 1.010 2.051 -4.105 126 HB ILE 15 HB ILE 15 -1.752 1.408 -3.090 127 HG12 ILE 15 2HG1 ILE 15 -2.011 3.780 -3.046 128 HG13 ILE 15 1HG1 ILE 15 -0.271 4.048 -3.152 129 HG21 ILE 15 1HG2 ILE 15 -0.100 0.986 -1.256 130 HG22 ILE 15 2HG2 ILE 15 -1.153 2.359 -0.925 131 HG23 ILE 15 3HG2 ILE 15 0.502 2.631 -1.466 132 HD11 ILE 15 3HD1 ILE 15 -0.243 3.159 -5.433 133 HD12 ILE 15 1HD1 ILE 15 -1.421 4.466 -5.321 134 HD13 ILE 15 2HD1 ILE 15 -1.964 2.788 -5.332 135 H ASP 16 H ASP 16 -0.694 -1.033 -3.763 136 HA ASP 16 HA ASP 16 0.789 -2.078 -1.565 137 HB2 ASP 16 2HB ASP 16 -0.606 -3.329 -3.949 138 HB3 ASP 16 1HB ASP 16 0.005 -4.272 -2.591 139 H ARG 17 H ARG 17 1.191 -3.093 -4.984 140 HA ARG 17 HA ARG 17 3.646 -4.394 -4.704 141 HB2 ARG 17 2HB ARG 17 3.879 -3.933 -7.131 142 HB3 ARG 17 1HB ARG 17 2.231 -4.401 -6.715 143 HG2 ARG 17 2HG ARG 17 1.709 -1.917 -6.513 144 HG3 ARG 17 1HG ARG 17 3.281 -1.618 -7.254 145 HD2 ARG 17 2HD ARG 17 1.603 -3.614 -8.663 146 HD3 ARG 17 1HD ARG 17 1.000 -1.945 -8.706 147 HE ARG 17 HE ARG 17 3.280 -1.280 -9.539 148 HH11 ARG 17 1HH1 ARG 17 1.648 -3.785 -10.897 149 HH12 ARG 17 2HH1 ARG 17 3.018 -4.569 -11.612 150 HH21 ARG 17 1HH2 ARG 17 5.344 -2.626 -9.926 151 HH22 ARG 17 2HH2 ARG 17 5.110 -3.911 -11.063 152 H ASN 18 H ASN 18 3.104 -0.958 -5.391 153 HA ASN 18 HA ASN 18 5.889 -0.245 -5.518 154 HB2 ASN 18 2HB ASN 18 3.330 1.268 -4.895 155 HB3 ASN 18 1HB ASN 18 4.890 2.062 -5.112 156 HD21 ASN 18 1HD2 ASN 18 2.544 2.391 -6.874 157 HD22 ASN 18 2HD2 ASN 18 3.010 1.834 -8.409 158 H ILE 19 H ILE 19 3.512 -0.399 -2.894 159 HA ILE 19 HA ILE 19 5.191 0.760 -0.859 160 HB ILE 19 HB ILE 19 2.697 -0.896 -1.059 161 HG12 ILE 19 2HG1 ILE 19 3.445 1.717 0.290 162 HG13 ILE 19 1HG1 ILE 19 2.549 1.536 -1.217 163 HG21 ILE 19 1HG2 ILE 19 4.073 -0.320 1.577 164 HG22 ILE 19 2HG2 ILE 19 4.050 -1.903 0.803 165 HG23 ILE 19 3HG2 ILE 19 2.545 -1.165 1.344 166 HD11 ILE 19 3HD1 ILE 19 0.881 1.899 0.436 167 HD12 ILE 19 1HD1 ILE 19 1.666 0.807 1.578 168 HD13 ILE 19 2HD1 ILE 19 0.859 0.159 0.150 169 H LEU 20 H LEU 20 4.749 -2.515 -2.143 170 HA LEU 20 HA LEU 20 6.301 -3.881 -0.117 171 HB2 LEU 20 2HB LEU 20 5.229 -4.382 -2.872 172 HB3 LEU 20 1HB LEU 20 6.467 -5.482 -2.262 173 HG LEU 20 HG LEU 20 3.971 -4.774 -0.702 174 HD11 LEU 20 1HD1 LEU 20 3.239 -7.103 -1.406 175 HD12 LEU 20 2HD1 LEU 20 4.527 -7.059 -2.610 176 HD13 LEU 20 3HD1 LEU 20 3.208 -5.892 -2.687 177 HD21 LEU 20 3HD2 LEU 20 6.078 -6.946 -0.458 178 HD22 LEU 20 1HD2 LEU 20 4.600 -6.883 0.504 179 HD23 LEU 20 2HD2 LEU 20 5.809 -5.608 0.661 180 H ASN 21 H ASN 21 7.073 -2.533 -3.344 181 HA ASN 21 HA ASN 21 9.830 -3.334 -3.394 182 HB2 ASN 21 2HB ASN 21 8.625 -2.620 -5.378 183 HB3 ASN 21 1HB ASN 21 8.269 -1.053 -4.651 184 HD21 ASN 21 1HD2 ASN 21 9.766 0.603 -5.046 185 HD22 ASN 21 2HD2 ASN 21 11.320 0.363 -5.685 186 H GLU 22 H GLU 22 8.127 -0.610 -1.946 187 HA GLU 22 HA GLU 22 10.531 0.909 -1.317 188 HB2 GLU 22 2HB GLU 22 7.617 0.972 -0.505 189 HB3 GLU 22 1HB GLU 22 8.789 2.115 0.151 190 HG2 GLU 22 2HG GLU 22 8.730 1.750 -2.812 191 HG3 GLU 22 1HG GLU 22 7.408 2.655 -2.073 192 H LEU 23 H LEU 23 8.572 -1.542 0.275 193 HA LEU 23 HA LEU 23 9.784 -1.195 2.900 194 HB2 LEU 23 2HB LEU 23 7.856 -2.945 1.494 195 HB3 LEU 23 1HB LEU 23 8.723 -3.718 2.823 196 HG LEU 23 HG LEU 23 6.689 -2.684 3.684 197 HD11 LEU 23 1HD1 LEU 23 7.678 -1.643 5.515 198 HD12 LEU 23 2HD1 LEU 23 8.839 -0.771 4.518 199 HD13 LEU 23 3HD1 LEU 23 9.065 -2.490 4.832 200 HD21 LEU 23 3HD2 LEU 23 7.711 -0.377 2.078 201 HD22 LEU 23 1HD2 LEU 23 6.828 -0.021 3.563 202 HD23 LEU 23 2HD2 LEU 23 6.058 -0.954 2.281 203 H GLN 24 H GLN 24 10.436 -3.109 0.019 204 HA GLN 24 HA GLN 24 12.450 -4.802 1.304 205 HB2 GLN 24 2HB GLN 24 11.012 -4.556 -1.191 206 HB3 GLN 24 1HB GLN 24 12.735 -4.745 -1.516 207 HG2 GLN 24 2HG GLN 24 11.046 -6.556 0.237 208 HG3 GLN 24 1HG GLN 24 11.661 -6.948 -1.370 209 HE21 GLN 24 1HE2 GLN 24 14.196 -6.671 -1.533 210 HE22 GLN 24 2HE2 GLN 24 15.087 -7.234 -0.202 211 H LYS 25 H LYS 25 12.393 -1.837 -0.656 212 HA LYS 25 HA LYS 25 15.291 -1.689 -0.948 213 HB2 LYS 25 2HB LYS 25 14.781 0.259 -2.158 214 HB3 LYS 25 1HB LYS 25 13.285 -0.660 -2.319 215 HG2 LYS 25 2HG LYS 25 12.270 0.582 -0.484 216 HG3 LYS 25 1HG LYS 25 13.785 1.432 -0.181 217 HD2 LYS 25 2HD LYS 25 13.475 1.993 -2.808 218 HD3 LYS 25 1HD LYS 25 11.782 1.846 -2.336 219 HE2 LYS 25 2HE LYS 25 11.897 3.942 -1.480 220 HE3 LYS 25 1HE LYS 25 13.074 3.349 -0.291 221 HZ1 LYS 25 3HZ LYS 25 13.878 5.155 -1.856 222 HZ2 LYS 25 1HZ LYS 25 13.830 3.985 -3.084 223 HZ3 LYS 25 2HZ LYS 25 14.851 3.767 -1.744 224 H ASP 26 H ASP 26 12.883 -0.223 1.199 225 HA ASP 26 HA ASP 26 15.120 0.487 3.039 226 HB2 ASP 26 2HB ASP 26 13.491 2.233 1.483 227 HB3 ASP 26 1HB ASP 26 12.998 2.425 3.166 228 H GLY 27 H GLY 27 13.970 -1.740 3.728 229 HA2 GLY 27 2HA GLY 27 11.403 -1.780 4.897 230 HA3 GLY 27 1HA GLY 27 12.742 -2.797 5.428 231 H ARG 28 H ARG 28 11.736 -2.407 7.608 232 HA ARG 28 HA ARG 28 11.674 -1.278 9.685 233 HB2 ARG 28 2HB ARG 28 14.187 0.004 8.588 234 HB3 ARG 28 1HB ARG 28 13.839 -0.433 10.260 235 HG2 ARG 28 2HG ARG 28 14.875 -2.398 9.870 236 HG3 ARG 28 1HG ARG 28 13.529 -2.816 8.809 237 HD2 ARG 28 2HD ARG 28 14.763 -1.558 6.951 238 HD3 ARG 28 1HD ARG 28 16.166 -1.536 8.037 239 HE ARG 28 HE ARG 28 15.974 -4.049 8.116 240 HH11 ARG 28 1HH1 ARG 28 15.581 -2.257 5.304 241 HH12 ARG 28 2HH1 ARG 28 15.003 -3.572 4.336 242 HH21 ARG 28 1HH2 ARG 28 14.723 -5.765 7.007 243 HH22 ARG 28 2HH2 ARG 28 14.519 -5.558 5.300 244 H ILE 29 H ILE 29 10.540 0.120 7.184 245 HA ILE 29 HA ILE 29 10.811 2.961 8.075 246 HB ILE 29 HB ILE 29 11.361 2.359 5.723 247 HG12 ILE 29 2HG1 ILE 29 8.900 4.049 6.216 248 HG13 ILE 29 1HG1 ILE 29 10.569 4.595 6.050 249 HG21 ILE 29 1HG2 ILE 29 9.580 1.583 4.229 250 HG22 ILE 29 2HG2 ILE 29 8.436 1.573 5.572 251 HG23 ILE 29 3HG2 ILE 29 9.789 0.443 5.557 252 HD11 ILE 29 3HD1 ILE 29 8.830 3.379 3.885 253 HD12 ILE 29 1HD1 ILE 29 10.551 3.717 3.694 254 HD13 ILE 29 2HD1 ILE 29 9.416 5.040 3.963 255 H SER 30 H SER 30 8.984 4.107 8.718 256 HA SER 30 HA SER 30 6.650 2.539 9.515 257 HB2 SER 30 2HB SER 30 6.199 4.418 10.820 258 HB3 SER 30 1HB SER 30 7.936 4.603 10.593 259 HG SER 30 HG SER 30 7.402 6.457 9.768 260 H ASN 31 H ASN 31 4.428 3.815 9.056 261 HA ASN 31 HA ASN 31 3.964 3.646 6.195 262 HB2 ASN 31 2HB ASN 31 1.675 4.476 6.962 263 HB3 ASN 31 1HB ASN 31 2.249 3.022 7.777 264 HD21 ASN 31 1HD2 ASN 31 0.859 6.004 8.395 265 HD22 ASN 31 2HD2 ASN 31 1.370 6.212 10.000 266 H VAL 32 H VAL 32 3.893 6.415 8.501 267 HA VAL 32 HA VAL 32 3.262 8.523 6.837 268 HB VAL 32 HB VAL 32 5.600 8.379 8.778 269 HG11 VAL 32 1HG1 VAL 32 4.605 10.500 7.163 270 HG12 VAL 32 2HG1 VAL 32 5.824 10.592 8.434 271 HG13 VAL 32 3HG1 VAL 32 4.123 10.842 8.825 272 HG21 VAL 32 3HG2 VAL 32 3.676 9.376 10.285 273 HG22 VAL 32 1HG2 VAL 32 3.794 7.632 10.053 274 HG23 VAL 32 2HG2 VAL 32 2.622 8.568 9.125 275 H GLU 33 H GLU 33 6.511 7.043 7.121 276 HA GLU 33 HA GLU 33 7.698 8.591 4.991 277 HB2 GLU 33 2HB GLU 33 8.528 6.869 6.963 278 HB3 GLU 33 1HB GLU 33 8.675 5.849 5.532 279 HG2 GLU 33 2HG GLU 33 10.654 6.872 5.160 280 HG3 GLU 33 1HG GLU 33 9.715 8.296 4.709 281 H LEU 34 H LEU 34 5.997 5.491 5.183 282 HA LEU 34 HA LEU 34 6.413 4.673 2.454 283 HB2 LEU 34 2HB LEU 34 5.175 3.773 4.842 284 HB3 LEU 34 1HB LEU 34 3.936 3.752 3.590 285 HG LEU 34 HG LEU 34 6.635 2.384 3.528 286 HD11 LEU 34 1HD1 LEU 34 3.755 1.497 3.625 287 HD12 LEU 34 2HD1 LEU 34 5.099 0.995 4.650 288 HD13 LEU 34 3HD1 LEU 34 5.005 0.433 2.983 289 HD21 LEU 34 3HD2 LEU 34 5.091 3.471 1.357 290 HD22 LEU 34 1HD2 LEU 34 5.061 1.711 1.260 291 HD23 LEU 34 2HD2 LEU 34 6.604 2.566 1.285 292 H SER 35 H SER 35 3.585 6.115 4.088 293 HA SER 35 HA SER 35 1.832 6.561 1.989 294 HB2 SER 35 2HB SER 35 0.876 8.074 3.466 295 HB3 SER 35 1HB SER 35 1.932 7.194 4.566 296 HG SER 35 HG SER 35 2.281 9.382 4.842 297 H LYS 36 H LYS 36 4.600 8.639 2.909 298 HA LYS 36 HA LYS 36 4.154 10.570 0.791 299 HB2 LYS 36 2HB LYS 36 6.527 9.894 2.560 300 HB3 LYS 36 1HB LYS 36 6.417 11.340 1.556 301 HG2 LYS 36 2HG LYS 36 4.845 12.331 2.910 302 HG3 LYS 36 1HG LYS 36 4.121 10.790 3.373 303 HD2 LYS 36 2HD LYS 36 5.226 11.037 5.333 304 HD3 LYS 36 1HD LYS 36 6.679 10.619 4.426 305 HE2 LYS 36 2HE LYS 36 7.146 12.705 5.557 306 HE3 LYS 36 1HE LYS 36 6.871 13.113 3.852 307 HZ1 LYS 36 3HZ LYS 36 5.092 13.482 6.162 308 HZ2 LYS 36 1HZ LYS 36 4.398 13.192 4.641 309 HZ3 LYS 36 2HZ LYS 36 5.408 14.539 4.869 310 H ARG 37 H ARG 37 6.220 7.696 1.134 311 HA ARG 37 HA ARG 37 7.815 8.086 -1.196 312 HB2 ARG 37 2HB ARG 37 7.160 6.014 0.759 313 HB3 ARG 37 1HB ARG 37 7.500 5.347 -0.838 314 HG2 ARG 37 2HG ARG 37 9.694 5.925 -0.747 315 HG3 ARG 37 1HG ARG 37 9.348 7.477 0.013 316 HD2 ARG 37 2HD ARG 37 8.714 5.900 2.086 317 HD3 ARG 37 1HD ARG 37 9.882 4.829 1.287 318 HE ARG 37 HE ARG 37 10.470 7.576 2.284 319 HH11 ARG 37 1HH1 ARG 37 12.054 7.142 -0.144 320 HH12 ARG 37 2HH1 ARG 37 13.470 6.335 0.441 321 HH21 ARG 37 1HH2 ARG 37 12.031 5.438 3.465 322 HH22 ARG 37 2HH2 ARG 37 13.457 5.369 2.484 323 H VAL 38 H VAL 38 4.755 6.407 -0.699 324 HA VAL 38 HA VAL 38 4.512 5.860 -3.596 325 HB VAL 38 HB VAL 38 2.371 4.738 -2.730 326 HG11 VAL 38 1HG1 VAL 38 4.378 3.424 -1.111 327 HG12 VAL 38 2HG1 VAL 38 5.078 3.954 -2.641 328 HG13 VAL 38 3HG1 VAL 38 3.665 2.898 -2.635 329 HG21 VAL 38 3HG2 VAL 38 2.773 6.310 -0.537 330 HG22 VAL 38 1HG2 VAL 38 3.508 4.801 0.004 331 HG23 VAL 38 2HG2 VAL 38 1.823 4.824 -0.514 332 H GLY 39 H GLY 39 4.288 8.629 -2.194 333 HA2 GLY 39 2HA GLY 39 2.900 10.526 -2.328 334 HA3 GLY 39 1HA GLY 39 2.456 9.870 -3.906 335 H LEU 40 H LEU 40 1.864 7.966 -1.080 336 HA LEU 40 HA LEU 40 -1.069 8.378 -1.460 337 HB2 LEU 40 2HB LEU 40 0.460 6.142 -1.630 338 HB3 LEU 40 1HB LEU 40 0.051 6.098 0.083 339 HG LEU 40 HG LEU 40 -1.709 5.823 -2.287 340 HD11 LEU 40 1HD1 LEU 40 -0.852 4.166 -0.291 341 HD12 LEU 40 2HD1 LEU 40 -2.316 3.902 -1.237 342 HD13 LEU 40 3HD1 LEU 40 -2.414 4.690 0.336 343 HD21 LEU 40 3HD2 LEU 40 -3.665 6.383 -0.702 344 HD22 LEU 40 1HD2 LEU 40 -2.777 7.745 -1.384 345 HD23 LEU 40 2HD2 LEU 40 -2.465 7.228 0.272 346 H SER 41 H SER 41 -2.248 9.162 0.282 347 HA SER 41 HA SER 41 -1.099 10.247 2.623 348 HB2 SER 41 2HB SER 41 -3.737 9.412 1.623 349 HB3 SER 41 1HB SER 41 -3.602 9.333 3.378 350 HG SER 41 HG SER 41 -2.914 11.570 1.765 351 HA PRO 42 HA PRO 42 0.075 6.704 4.772 352 HB2 PRO 42 2HB PRO 42 -0.160 7.542 7.368 353 HB3 PRO 42 1HB PRO 42 1.135 8.077 6.281 354 HG2 PRO 42 2HG PRO 42 -1.372 9.481 7.068 355 HG3 PRO 42 1HG PRO 42 0.256 10.132 6.820 356 HD2 PRO 42 2HD PRO 42 -1.755 10.334 4.976 357 HD3 PRO 42 1HD PRO 42 -0.028 10.320 4.553 358 H THR 43 H THR 43 -2.850 8.238 6.179 359 HA THR 43 HA THR 43 -4.007 6.134 7.547 360 HB THR 43 HB THR 43 -4.992 8.334 5.777 361 HG1 THR 43 1HG THR 43 -5.981 8.904 7.732 362 HG21 THR 43 3HG2 THR 43 -6.487 6.458 5.190 363 HG22 THR 43 1HG2 THR 43 -7.342 7.671 6.143 364 HG23 THR 43 2HG2 THR 43 -6.800 6.174 6.902 365 HA PRO 44 HA PRO 44 -5.468 4.109 3.462 366 HB2 PRO 44 2HB PRO 44 -4.557 5.191 1.106 367 HB3 PRO 44 1HB PRO 44 -6.069 5.702 1.886 368 HG2 PRO 44 2HG PRO 44 -3.404 7.017 1.869 369 HG3 PRO 44 1HG PRO 44 -5.018 7.740 1.835 370 HD2 PRO 44 2HD PRO 44 -3.441 7.604 4.080 371 HD3 PRO 44 1HD PRO 44 -5.211 7.717 4.109 372 H CYS 45 H CYS 45 -2.242 5.630 2.888 373 HA CYS 45 HA CYS 45 -0.887 3.627 1.566 374 HB2 CYS 45 2HB CYS 45 0.016 5.797 2.496 375 HB3 CYS 45 1HB CYS 45 0.122 5.010 4.070 376 HG CYS 45 HG CYS 45 2.130 4.692 1.863 377 H LEU 46 H LEU 46 -1.711 3.687 5.009 378 HA LEU 46 HA LEU 46 -0.563 1.111 5.641 379 HB2 LEU 46 2HB LEU 46 -2.746 2.850 6.843 380 HB3 LEU 46 1HB LEU 46 -2.111 1.400 7.628 381 HG LEU 46 HG LEU 46 0.061 3.076 6.738 382 HD11 LEU 46 1HD1 LEU 46 -0.617 5.145 7.288 383 HD12 LEU 46 2HD1 LEU 46 -0.995 4.589 8.919 384 HD13 LEU 46 3HD1 LEU 46 -2.224 4.517 7.657 385 HD21 LEU 46 3HD2 LEU 46 0.034 1.271 8.516 386 HD22 LEU 46 1HD2 LEU 46 -0.844 2.400 9.548 387 HD23 LEU 46 2HD2 LEU 46 0.793 2.782 9.017 388 H GLU 47 H GLU 47 -3.843 2.262 4.849 389 HA GLU 47 HA GLU 47 -5.270 -0.150 4.922 390 HB2 GLU 47 2HB GLU 47 -5.360 2.241 3.065 391 HB3 GLU 47 1HB GLU 47 -6.591 0.980 3.047 392 HG2 GLU 47 2HG GLU 47 -6.144 1.767 5.766 393 HG3 GLU 47 1HG GLU 47 -6.406 3.220 4.800 394 H ARG 48 H ARG 48 -3.312 1.197 2.251 395 HA ARG 48 HA ARG 48 -3.667 -1.029 0.459 396 HB2 ARG 48 2HB ARG 48 -1.352 0.920 0.658 397 HB3 ARG 48 1HB ARG 48 -1.920 0.091 -0.794 398 HG2 ARG 48 2HG ARG 48 -4.093 1.535 0.475 399 HG3 ARG 48 1HG ARG 48 -2.744 2.615 0.136 400 HD2 ARG 48 2HD ARG 48 -3.015 2.440 -2.134 401 HD3 ARG 48 1HD ARG 48 -3.423 0.715 -2.042 402 HE ARG 48 HE ARG 48 -5.541 2.058 -0.785 403 HH11 ARG 48 1HH1 ARG 48 -4.017 3.103 -3.600 404 HH12 ARG 48 2HH1 ARG 48 -5.434 3.043 -4.594 405 HH21 ARG 48 1HH2 ARG 48 -7.387 1.500 -2.180 406 HH22 ARG 48 2HH2 ARG 48 -7.342 2.136 -3.790 407 H VAL 49 H VAL 49 -1.092 -0.132 2.751 408 HA VAL 49 HA VAL 49 0.628 -2.359 2.322 409 HB VAL 49 HB VAL 49 0.318 -0.099 4.055 410 HG11 VAL 49 1HG1 VAL 49 -0.459 -1.626 5.800 411 HG12 VAL 49 2HG1 VAL 49 1.176 -1.092 6.181 412 HG13 VAL 49 3HG1 VAL 49 0.909 -2.700 5.508 413 HG21 VAL 49 3HG2 VAL 49 2.792 -0.884 4.579 414 HG22 VAL 49 1HG2 VAL 49 2.365 -0.283 2.980 415 HG23 VAL 49 2HG2 VAL 49 2.480 -2.019 3.266 416 H ARG 50 H ARG 50 -2.035 -1.908 4.672 417 HA ARG 50 HA ARG 50 -1.922 -4.317 6.067 418 HB2 ARG 50 2HB ARG 50 -4.379 -2.920 4.968 419 HB3 ARG 50 1HB ARG 50 -4.328 -3.962 6.390 420 HG2 ARG 50 2HG ARG 50 -2.361 -1.772 6.447 421 HG3 ARG 50 1HG ARG 50 -4.037 -1.226 6.447 422 HD2 ARG 50 2HD ARG 50 -2.797 -3.214 8.384 423 HD3 ARG 50 1HD ARG 50 -3.331 -1.564 8.758 424 HE ARG 50 HE ARG 50 -5.586 -2.648 7.653 425 HH11 ARG 50 1HH2 ARG 50 -3.705 -3.055 10.457 426 HH12 ARG 50 2HH2 ARG 50 -4.731 -4.261 11.158 427 HH21 ARG 50 1HH1 ARG 50 -6.781 -4.512 8.374 428 HH22 ARG 50 2HH1 ARG 50 -6.473 -5.085 9.979 429 H ARG 51 H ARG 51 -3.618 -3.719 2.994 430 HA ARG 51 HA ARG 51 -4.560 -6.303 2.440 431 HB2 ARG 51 2HB ARG 51 -5.175 -4.760 0.830 432 HB3 ARG 51 1HB ARG 51 -3.625 -3.924 0.903 433 HG2 ARG 51 2HG ARG 51 -4.000 -5.140 -1.263 434 HG3 ARG 51 1HG ARG 51 -2.558 -5.673 -0.401 435 HD2 ARG 51 2HD ARG 51 -3.494 -7.751 -0.851 436 HD3 ARG 51 1HD ARG 51 -4.346 -7.395 0.665 437 HE ARG 51 HE ARG 51 -5.959 -6.161 -1.150 438 HH11 ARG 51 1HH2 ARG 51 -4.187 -8.730 -2.314 439 HH12 ARG 51 2HH2 ARG 51 -5.544 -9.735 -2.700 440 HH21 ARG 51 1HH1 ARG 51 -7.851 -7.688 -1.119 441 HH22 ARG 51 2HH1 ARG 51 -7.616 -9.148 -2.021 442 H LEU 52 H LEU 52 -1.309 -4.934 1.994 443 HA LEU 52 HA LEU 52 -0.164 -7.356 0.857 444 HB2 LEU 52 2HB LEU 52 0.909 -4.816 2.108 445 HB3 LEU 52 1HB LEU 52 1.968 -6.066 1.455 446 HG LEU 52 HG LEU 52 -0.225 -4.678 -0.110 447 HD11 LEU 52 1HD1 LEU 52 1.313 -2.982 -0.049 448 HD12 LEU 52 2HD1 LEU 52 2.099 -3.949 -1.298 449 HD13 LEU 52 3HD1 LEU 52 2.639 -4.062 0.378 450 HD21 LEU 52 3HD2 LEU 52 0.049 -6.560 -1.365 451 HD22 LEU 52 1HD2 LEU 52 1.581 -6.966 -0.593 452 HD23 LEU 52 2HD2 LEU 52 1.537 -5.777 -1.894 453 H GLU 53 H GLU 53 -0.601 -6.022 4.078 454 HA GLU 53 HA GLU 53 1.221 -7.831 5.431 455 HB2 GLU 53 2HB GLU 53 0.713 -5.748 6.456 456 HB3 GLU 53 1HB GLU 53 -1.019 -5.955 6.201 457 HG2 GLU 53 2HG GLU 53 -0.460 -6.355 8.553 458 HG3 GLU 53 1HG GLU 53 -1.011 -7.850 7.796 459 H ARG 54 H ARG 54 -2.360 -7.618 5.590 460 HA ARG 54 HA ARG 54 -2.914 -10.013 6.891 461 HB2 ARG 54 2HB ARG 54 -4.313 -8.640 4.574 462 HB3 ARG 54 1HB ARG 54 -5.055 -9.913 5.543 463 HG2 ARG 54 2HG ARG 54 -4.378 -8.413 7.576 464 HG3 ARG 54 1HG ARG 54 -4.266 -7.131 6.371 465 HD2 ARG 54 2HD ARG 54 -6.697 -8.526 5.857 466 HD3 ARG 54 1HD ARG 54 -6.635 -8.191 7.600 467 HE ARG 54 HE ARG 54 -6.082 -5.797 6.954 468 HH11 ARG 54 1HH2 ARG 54 -8.928 -6.777 6.167 469 HH12 ARG 54 2HH2 ARG 54 -9.077 -6.046 4.604 470 HH21 ARG 54 1HH1 ARG 54 -5.692 -5.350 4.315 471 HH22 ARG 54 2HH1 ARG 54 -7.244 -5.239 3.556 472 H GLN 55 H GLN 55 -1.780 -9.572 3.600 473 HA GLN 55 HA GLN 55 -2.406 -12.317 2.768 474 HB2 GLN 55 2HB GLN 55 -0.954 -9.926 1.635 475 HB3 GLN 55 1HB GLN 55 -0.910 -11.483 0.807 476 HG2 GLN 55 2HG GLN 55 -3.534 -10.290 1.686 477 HG3 GLN 55 1HG GLN 55 -2.789 -9.800 0.164 478 HE21 GLN 55 1HE2 GLN 55 -3.081 -11.185 -1.615 479 HE22 GLN 55 2HE2 GLN 55 -3.740 -12.745 -1.514 480 H GLY 56 H GLY 56 -0.262 -11.243 4.957 481 HA2 GLY 56 2HA GLY 56 1.627 -12.291 5.900 482 HA3 GLY 56 1HA GLY 56 1.464 -13.562 4.686 483 H PHE 57 H PHE 57 1.850 -10.072 4.113 484 HA PHE 57 HA PHE 57 4.513 -10.666 2.864 485 HB2 PHE 57 2HB PHE 57 2.356 -10.296 1.400 486 HB3 PHE 57 1HB PHE 57 2.597 -8.598 1.808 487 HD1 PHE 57 1HD PHE 57 5.792 -9.602 2.035 488 HD2 PHE 57 2HD PHE 57 2.757 -9.275 -0.990 489 HE1 PHE 57 1HE PHE 57 7.546 -9.429 0.291 490 HE2 PHE 57 2HE PHE 57 4.514 -9.100 -2.732 491 HZ PHE 57 HZ PHE 57 6.908 -9.177 -2.090 492 H ILE 58 H ILE 58 3.192 -9.193 5.408 493 HA ILE 58 HA ILE 58 5.176 -6.962 5.354 494 HB ILE 58 HB ILE 58 2.362 -6.615 6.387 495 HG12 ILE 58 2HG1 ILE 58 2.360 -7.337 3.955 496 HG13 ILE 58 1HG1 ILE 58 1.689 -5.732 4.244 497 HG21 ILE 58 1HG2 ILE 58 4.408 -4.666 5.285 498 HG22 ILE 58 2HG2 ILE 58 4.161 -4.992 7.004 499 HG23 ILE 58 3HG2 ILE 58 2.871 -4.256 6.051 500 HD11 ILE 58 3HD1 ILE 58 3.732 -6.347 2.454 501 HD12 ILE 58 1HD1 ILE 58 4.574 -5.645 3.835 502 HD13 ILE 58 2HD1 ILE 58 3.300 -4.735 3.023 503 H GLN 59 H GLN 59 5.207 -9.556 6.707 504 HA GLN 59 HA GLN 59 4.561 -9.024 9.529 505 HB2 GLN 59 2HB GLN 59 5.584 -11.331 9.750 506 HB3 GLN 59 1HB GLN 59 4.247 -11.250 8.604 507 HG2 GLN 59 2HG GLN 59 5.584 -11.735 6.839 508 HG3 GLN 59 1HG GLN 59 6.855 -10.644 7.394 509 HE21 GLN 59 1HE2 GLN 59 7.718 -13.076 6.406 510 HE22 GLN 59 2HE2 GLN 59 8.220 -14.092 7.669 511 H GLY 60 H GLY 60 7.061 -8.214 7.457 512 HA2 GLY 60 2HA GLY 60 8.911 -7.809 9.761 513 HA3 GLY 60 1HA GLY 60 9.524 -8.472 8.245 514 H TYR 61 H TYR 61 8.007 -6.899 6.442 515 HA TYR 61 HA TYR 61 9.582 -4.556 6.174 516 HB2 TYR 61 2HB TYR 61 6.772 -5.146 5.189 517 HB3 TYR 61 1HB TYR 61 7.888 -3.983 4.483 518 HD1 TYR 61 2HD TYR 61 10.360 -5.874 5.109 519 HD2 TYR 61 1HD TYR 61 6.628 -6.387 3.047 520 HE1 TYR 61 2HE TYR 61 11.370 -7.669 3.731 521 HE2 TYR 61 1HE TYR 61 7.638 -8.184 1.668 522 HH TYR 61 HH TYR 61 9.541 -9.801 1.865 523 H THR 62 H THR 62 6.462 -3.381 5.937 524 HA THR 62 HA THR 62 6.870 -1.655 8.279 525 HB THR 62 HB THR 62 6.028 -1.035 5.916 526 HG1 THR 62 1HG THR 62 4.723 0.576 6.816 527 HG21 THR 62 3HG2 THR 62 4.153 -2.053 5.215 528 HG22 THR 62 1HG2 THR 62 3.275 -1.222 6.498 529 HG23 THR 62 2HG2 THR 62 3.950 -2.821 6.784 530 H ALA 63 H ALA 63 6.166 -4.616 8.490 531 HA ALA 63 HA ALA 63 3.630 -5.297 9.231 532 HB1 ALA 63 1HB ALA 63 6.015 -5.692 11.063 533 HB2 ALA 63 2HB ALA 63 5.854 -6.539 9.525 534 HB3 ALA 63 3HB ALA 63 4.665 -6.797 10.802 535 H LEU 64 H LEU 64 5.769 -3.060 10.933 536 HA LEU 64 HA LEU 64 4.419 -2.649 13.363 537 HB2 LEU 64 2HB LEU 64 5.292 -0.198 12.890 538 HB3 LEU 64 1HB LEU 64 6.453 -1.508 13.080 539 HG LEU 64 HG LEU 64 5.480 -1.241 10.319 540 HD11 LEU 64 1HD1 LEU 64 5.540 1.027 10.251 541 HD12 LEU 64 2HD1 LEU 64 7.291 0.833 10.328 542 HD13 LEU 64 3HD1 LEU 64 6.372 1.143 11.801 543 HD21 LEU 64 3HD2 LEU 64 8.254 -0.852 10.478 544 HD22 LEU 64 1HD2 LEU 64 7.426 -2.379 10.177 545 HD23 LEU 64 2HD2 LEU 64 7.877 -1.930 11.822 546 H LEU 65 H LEU 65 3.553 -1.691 10.147 547 HA LEU 65 HA LEU 65 1.796 0.399 10.379 548 HB2 LEU 65 2HB LEU 65 0.758 -0.513 8.422 549 HB3 LEU 65 1HB LEU 65 2.424 -1.107 8.391 550 HG LEU 65 HG LEU 65 1.088 -3.008 9.919 551 HD11 LEU 65 1HD1 LEU 65 -1.052 -1.889 9.143 552 HD12 LEU 65 2HD1 LEU 65 -0.920 -3.598 8.732 553 HD13 LEU 65 3HD1 LEU 65 -0.622 -2.370 7.502 554 HD21 LEU 65 3HD2 LEU 65 1.940 -2.840 7.036 555 HD22 LEU 65 1HD2 LEU 65 1.203 -4.311 7.669 556 HD23 LEU 65 2HD2 LEU 65 2.707 -3.708 8.364 557 H ASN 66 H ASN 66 1.380 -2.780 11.741 558 HA ASN 66 HA ASN 66 -1.470 -2.261 12.397 559 HB2 ASN 66 2HB ASN 66 -1.325 -4.637 13.179 560 HB3 ASN 66 1HB ASN 66 -0.803 -4.444 11.506 561 HD21 ASN 66 1HD2 ASN 66 0.340 -6.621 12.239 562 HD22 ASN 66 2HD2 ASN 66 1.905 -6.449 12.873 Start of MODEL 24 1 H1 MET 1 1HT MET 1 12.753 -9.868 -17.043 2 H2 MET 1 2HT MET 1 13.612 -8.536 -16.433 3 H3 MET 1 3HT MET 1 11.918 -8.481 -16.536 4 HA MET 1 HA MET 1 11.797 -10.331 -14.903 5 HB2 MET 1 2HB MET 1 14.667 -10.104 -15.499 6 HB3 MET 1 1HB MET 1 14.324 -10.215 -13.772 7 HG2 MET 1 2HG MET 1 14.588 -12.465 -14.654 8 HG3 MET 1 1HG MET 1 12.890 -12.217 -14.243 9 HE1 MET 1 2HE MET 1 12.586 -14.359 -15.583 10 HE2 MET 1 3HE MET 1 14.174 -14.475 -16.339 11 HE3 MET 1 1HE MET 1 12.713 -14.523 -17.333 12 H VAL 2 H VAL 2 11.374 -9.643 -12.752 13 HA VAL 2 HA VAL 2 12.006 -6.764 -12.204 14 HB VAL 2 HB VAL 2 9.796 -8.475 -11.035 15 HG11 VAL 2 1HG1 VAL 2 10.671 -5.699 -10.817 16 HG12 VAL 2 2HG1 VAL 2 9.518 -6.589 -9.823 17 HG13 VAL 2 3HG1 VAL 2 8.986 -5.821 -11.318 18 HG21 VAL 2 3HG2 VAL 2 8.943 -8.558 -13.134 19 HG22 VAL 2 1HG2 VAL 2 10.107 -7.382 -13.740 20 HG23 VAL 2 2HG2 VAL 2 8.635 -6.833 -12.941 21 H ASP 3 H ASP 3 14.019 -8.554 -11.528 22 HA ASP 3 HA ASP 3 15.225 -9.477 -9.698 23 HB2 ASP 3 2HB ASP 3 14.263 -6.780 -9.268 24 HB3 ASP 3 1HB ASP 3 14.412 -7.618 -7.724 25 H SER 4 H SER 4 14.578 -9.331 -6.921 26 HA SER 4 HA SER 4 12.792 -11.592 -6.659 27 HB2 SER 4 2HB SER 4 13.398 -11.416 -4.356 28 HB3 SER 4 1HB SER 4 14.809 -10.835 -5.238 29 HG SER 4 HG SER 4 14.221 -8.754 -4.789 30 H LYS 5 H LYS 5 11.850 -9.895 -4.076 31 HA LYS 5 HA LYS 5 9.798 -8.892 -3.466 32 HB2 LYS 5 2HB LYS 5 10.324 -7.611 -6.172 33 HB3 LYS 5 1HB LYS 5 9.227 -6.977 -4.945 34 HG2 LYS 5 2HG LYS 5 11.312 -7.093 -3.373 35 HG3 LYS 5 1HG LYS 5 12.231 -7.156 -4.878 36 HD2 LYS 5 2HD LYS 5 10.188 -5.099 -5.006 37 HD3 LYS 5 1HD LYS 5 11.244 -4.849 -3.614 38 HE2 LYS 5 2HE LYS 5 13.125 -4.509 -4.932 39 HE3 LYS 5 1HE LYS 5 12.517 -5.541 -6.241 40 HZ1 LYS 5 3HZ LYS 5 10.812 -3.301 -5.654 41 HZ2 LYS 5 1HZ LYS 5 11.393 -3.850 -7.150 42 HZ3 LYS 5 2HZ LYS 5 12.354 -2.831 -6.190 43 H LYS 6 H LYS 6 9.177 -11.356 -4.214 44 HA LYS 6 HA LYS 6 7.568 -11.651 -6.588 45 HB2 LYS 6 2HB LYS 6 7.852 -13.138 -3.968 46 HB3 LYS 6 1HB LYS 6 6.797 -13.709 -5.261 47 HG2 LYS 6 2HG LYS 6 9.518 -12.973 -6.138 48 HG3 LYS 6 1HG LYS 6 9.449 -14.354 -5.043 49 HD2 LYS 6 2HD LYS 6 7.321 -14.710 -6.864 50 HD3 LYS 6 1HD LYS 6 8.711 -14.219 -7.833 51 HE2 LYS 6 2HE LYS 6 10.066 -15.980 -6.571 52 HE3 LYS 6 1HE LYS 6 8.520 -16.577 -5.939 53 HZ1 LYS 6 3HZ LYS 6 8.499 -17.721 -7.872 54 HZ2 LYS 6 1HZ LYS 6 9.562 -16.654 -8.653 55 HZ3 LYS 6 2HZ LYS 6 7.916 -16.257 -8.509 56 H ARG 7 H ARG 7 5.965 -12.526 -3.649 57 HA ARG 7 HA ARG 7 3.891 -11.818 -2.745 58 HB2 ARG 7 2HB ARG 7 5.490 -9.535 -3.468 59 HB3 ARG 7 1HB ARG 7 3.799 -9.167 -3.808 60 HG2 ARG 7 2HG ARG 7 4.068 -8.545 -1.543 61 HG3 ARG 7 1HG ARG 7 3.326 -10.144 -1.455 62 HD2 ARG 7 2HD ARG 7 5.099 -10.454 0.026 63 HD3 ARG 7 1HD ARG 7 5.905 -10.910 -1.489 64 HE ARG 7 HE ARG 7 6.290 -8.224 -1.494 65 HH11 ARG 7 1HH2 ARG 7 8.504 -10.089 -0.670 66 HH12 ARG 7 2HH2 ARG 7 8.925 -9.474 0.894 67 HH21 ARG 7 1HH1 ARG 7 6.008 -7.632 1.245 68 HH22 ARG 7 2HH1 ARG 7 7.511 -8.082 1.977 69 HA PRO 8 HA PRO 8 0.834 -11.920 -5.916 70 HB2 PRO 8 2HB PRO 8 -0.817 -9.740 -5.601 71 HB3 PRO 8 1HB PRO 8 -0.862 -11.163 -4.540 72 HG2 PRO 8 2HG PRO 8 0.454 -8.519 -4.107 73 HG3 PRO 8 1HG PRO 8 -0.449 -9.527 -2.967 74 HD2 PRO 8 2HD PRO 8 2.251 -9.435 -2.991 75 HD3 PRO 8 1HD PRO 8 1.357 -10.901 -2.544 76 H GLY 9 H GLY 9 3.067 -11.110 -7.063 77 HA2 GLY 9 2HA GLY 9 3.344 -8.559 -8.173 78 HA3 GLY 9 1HA GLY 9 3.877 -10.034 -8.985 79 H LYS 10 H LYS 10 3.119 -8.455 -10.840 80 HA LYS 10 HA LYS 10 1.541 -8.010 -12.542 81 HB2 LYS 10 2HB LYS 10 1.670 -10.617 -12.170 82 HB3 LYS 10 1HB LYS 10 0.046 -10.411 -11.511 83 HG2 LYS 10 2HG LYS 10 -0.499 -9.126 -13.660 84 HG3 LYS 10 1HG LYS 10 1.021 -9.754 -14.297 85 HD2 LYS 10 2HD LYS 10 0.228 -12.069 -13.788 86 HD3 LYS 10 1HD LYS 10 -1.323 -11.393 -13.289 87 HE2 LYS 10 2HE LYS 10 -1.849 -10.668 -15.487 88 HE3 LYS 10 1HE LYS 10 -0.163 -10.810 -16.023 89 HZ1 LYS 10 3HZ LYS 10 -0.889 -12.819 -16.738 90 HZ2 LYS 10 1HZ LYS 10 -2.162 -12.893 -15.619 91 HZ3 LYS 10 2HZ LYS 10 -0.578 -13.266 -15.129 92 H ASP 11 H ASP 11 -1.331 -9.210 -11.852 93 HA ASP 11 HA ASP 11 -2.739 -6.895 -11.305 94 HB2 ASP 11 2HB ASP 11 -4.379 -8.520 -10.177 95 HB3 ASP 11 1HB ASP 11 -3.861 -8.954 -11.806 96 H LEU 12 H LEU 12 -1.619 -5.523 -9.801 97 HA LEU 12 HA LEU 12 -2.077 -6.224 -6.954 98 HB2 LEU 12 2HB LEU 12 0.339 -6.729 -8.195 99 HB3 LEU 12 1HB LEU 12 0.606 -5.133 -7.493 100 HG LEU 12 HG LEU 12 -0.338 -7.611 -6.024 101 HD11 LEU 12 1HD1 LEU 12 1.816 -7.904 -5.406 102 HD12 LEU 12 2HD1 LEU 12 2.026 -6.188 -5.057 103 HD13 LEU 12 3HD1 LEU 12 2.229 -6.784 -6.704 104 HD21 LEU 12 3HD2 LEU 12 0.365 -4.998 -4.720 105 HD22 LEU 12 1HD2 LEU 12 -0.655 -6.303 -4.116 106 HD23 LEU 12 2HD2 LEU 12 -1.255 -5.229 -5.380 107 H ASP 13 H ASP 13 -2.835 -4.408 -5.929 108 HA ASP 13 HA ASP 13 -3.431 -1.964 -7.068 109 HB2 ASP 13 2HB ASP 13 -2.708 -2.895 -4.309 110 HB3 ASP 13 1HB ASP 13 -2.958 -1.169 -4.574 111 H ARG 14 H ARG 14 -2.269 -0.231 -7.785 112 HA ARG 14 HA ARG 14 0.501 -0.257 -8.180 113 HB2 ARG 14 2HB ARG 14 -1.552 1.946 -7.904 114 HB3 ARG 14 1HB ARG 14 0.114 2.284 -8.377 115 HG2 ARG 14 2HG ARG 14 -1.857 0.488 -9.817 116 HG3 ARG 14 1HG ARG 14 -1.199 2.019 -10.396 117 HD2 ARG 14 2HD ARG 14 1.121 0.931 -10.210 118 HD3 ARG 14 1HD ARG 14 0.259 -0.610 -10.029 119 HE ARG 14 HE ARG 14 0.553 0.812 -12.500 120 HH11 ARG 14 1HH1 ARG 14 -0.217 -2.040 -12.420 121 HH12 ARG 14 2HH1 ARG 14 -1.868 -2.009 -12.938 122 HH21 ARG 14 1HH2 ARG 14 -2.260 1.388 -12.369 123 HH22 ARG 14 2HH2 ARG 14 -3.026 -0.068 -12.909 124 H ILE 15 H ILE 15 -1.337 0.939 -5.396 125 HA ILE 15 HA ILE 15 0.949 2.179 -4.093 126 HB ILE 15 HB ILE 15 -1.652 1.226 -2.881 127 HG12 ILE 15 2HG1 ILE 15 -2.286 2.434 -4.859 128 HG13 ILE 15 1HG1 ILE 15 -2.451 3.563 -3.515 129 HG21 ILE 15 1HG2 ILE 15 -0.984 3.722 -1.890 130 HG22 ILE 15 2HG2 ILE 15 0.588 2.940 -2.070 131 HG23 ILE 15 3HG2 ILE 15 -0.666 2.187 -1.082 132 HD11 ILE 15 3HD1 ILE 15 0.063 4.138 -4.112 133 HD12 ILE 15 1HD1 ILE 15 -1.260 4.871 -5.018 134 HD13 ILE 15 2HD1 ILE 15 -0.390 3.491 -5.688 135 H ASP 16 H ASP 16 -0.400 -1.048 -4.178 136 HA ASP 16 HA ASP 16 0.943 -1.938 -1.732 137 HB2 ASP 16 2HB ASP 16 -0.446 -3.344 -4.041 138 HB3 ASP 16 1HB ASP 16 0.105 -4.164 -2.579 139 H ARG 17 H ARG 17 1.360 -2.744 -5.211 140 HA ARG 17 HA ARG 17 3.753 -4.220 -4.934 141 HB2 ARG 17 2HB ARG 17 4.022 -3.653 -7.347 142 HB3 ARG 17 1HB ARG 17 2.371 -4.136 -6.958 143 HG2 ARG 17 2HG ARG 17 1.788 -1.707 -6.702 144 HG3 ARG 17 1HG ARG 17 3.407 -1.306 -7.279 145 HD2 ARG 17 2HD ARG 17 2.304 -3.206 -9.104 146 HD3 ARG 17 1HD ARG 17 1.096 -1.931 -8.848 147 HE ARG 17 HE ARG 17 2.576 -0.414 -9.897 148 HH11 ARG 17 1HH2 ARG 17 3.946 -3.465 -10.002 149 HH12 ARG 17 2HH2 ARG 17 5.583 -2.923 -10.156 150 HH21 ARG 17 1HH1 ARG 17 4.815 0.408 -9.568 151 HH22 ARG 17 2HH1 ARG 17 6.076 -0.730 -9.909 152 H ASN 18 H ASN 18 3.291 -0.751 -5.476 153 HA ASN 18 HA ASN 18 6.089 -0.085 -5.581 154 HB2 ASN 18 2HB ASN 18 3.455 1.276 -5.242 155 HB3 ASN 18 1HB ASN 18 4.880 2.181 -4.734 156 HD21 ASN 18 1HD2 ASN 18 6.521 2.668 -6.396 157 HD22 ASN 18 2HD2 ASN 18 6.129 2.595 -8.046 158 H ILE 19 H ILE 19 3.687 -0.177 -2.961 159 HA ILE 19 HA ILE 19 5.417 0.801 -0.892 160 HB ILE 19 HB ILE 19 2.862 -0.767 -1.118 161 HG12 ILE 19 2HG1 ILE 19 3.625 1.833 0.253 162 HG13 ILE 19 1HG1 ILE 19 2.873 1.699 -1.337 163 HG21 ILE 19 1HG2 ILE 19 4.712 -0.836 1.149 164 HG22 ILE 19 2HG2 ILE 19 3.278 -1.815 0.842 165 HG23 ILE 19 3HG2 ILE 19 3.119 -0.227 1.591 166 HD11 ILE 19 3HD1 ILE 19 0.942 1.929 -0.132 167 HD12 ILE 19 1HD1 ILE 19 1.681 1.341 1.356 168 HD13 ILE 19 2HD1 ILE 19 1.151 0.196 0.123 169 H LEU 20 H LEU 20 4.813 -2.427 -2.246 170 HA LEU 20 HA LEU 20 6.331 -3.873 -0.237 171 HB2 LEU 20 2HB LEU 20 5.351 -4.387 -3.058 172 HB3 LEU 20 1HB LEU 20 6.295 -5.593 -2.184 173 HG LEU 20 HG LEU 20 3.873 -4.335 -0.916 174 HD11 LEU 20 1HD1 LEU 20 3.935 -6.090 -3.236 175 HD12 LEU 20 2HD1 LEU 20 2.556 -5.291 -2.480 176 HD13 LEU 20 3HD1 LEU 20 3.111 -6.851 -1.875 177 HD21 LEU 20 3HD2 LEU 20 4.550 -5.697 0.749 178 HD22 LEU 20 1HD2 LEU 20 5.812 -6.384 -0.274 179 HD23 LEU 20 2HD2 LEU 20 4.188 -7.072 -0.296 180 H ASN 21 H ASN 21 7.079 -2.456 -3.425 181 HA ASN 21 HA ASN 21 9.798 -3.428 -3.559 182 HB2 ASN 21 2HB ASN 21 8.262 -1.139 -4.826 183 HB3 ASN 21 1HB ASN 21 9.918 -1.545 -5.280 184 HD21 ASN 21 1HD2 ASN 21 9.767 -2.630 -7.259 185 HD22 ASN 21 2HD2 ASN 21 8.694 -3.904 -7.584 186 H GLU 22 H GLU 22 8.235 -0.619 -2.118 187 HA GLU 22 HA GLU 22 10.725 0.796 -1.549 188 HB2 GLU 22 2HB GLU 22 7.830 1.040 -0.690 189 HB3 GLU 22 1HB GLU 22 9.079 2.156 -0.135 190 HG2 GLU 22 2HG GLU 22 8.200 1.662 -2.992 191 HG3 GLU 22 1HG GLU 22 8.042 3.155 -2.068 192 H LEU 23 H LEU 23 8.597 -1.466 0.132 193 HA LEU 23 HA LEU 23 9.844 -1.145 2.739 194 HB2 LEU 23 2HB LEU 23 7.821 -2.813 1.370 195 HB3 LEU 23 1HB LEU 23 8.654 -3.619 2.699 196 HG LEU 23 HG LEU 23 6.664 -2.469 3.541 197 HD11 LEU 23 1HD1 LEU 23 8.969 -0.739 4.398 198 HD12 LEU 23 2HD1 LEU 23 8.991 -2.467 4.752 199 HD13 LEU 23 3HD1 LEU 23 7.691 -1.455 5.382 200 HD21 LEU 23 3HD2 LEU 23 7.215 0.233 3.396 201 HD22 LEU 23 1HD2 LEU 23 6.063 -0.622 2.372 202 HD23 LEU 23 2HD2 LEU 23 7.708 -0.342 1.803 203 H GLN 24 H GLN 24 10.366 -3.183 -0.094 204 HA GLN 24 HA GLN 24 12.247 -4.997 1.180 205 HB2 GLN 24 2HB GLN 24 10.999 -5.656 -0.785 206 HB3 GLN 24 1HB GLN 24 11.576 -4.251 -1.682 207 HG2 GLN 24 2HG GLN 24 12.794 -6.358 -2.275 208 HG3 GLN 24 1HG GLN 24 13.857 -5.100 -1.642 209 HE21 GLN 24 1HE2 GLN 24 14.833 -5.443 0.454 210 HE22 GLN 24 2HE2 GLN 24 14.731 -6.929 1.266 211 H LYS 25 H LYS 25 12.484 -1.945 -0.617 212 HA LYS 25 HA LYS 25 15.398 -2.025 -0.807 213 HB2 LYS 25 2HB LYS 25 15.040 -0.191 -2.145 214 HB3 LYS 25 1HB LYS 25 13.365 -0.735 -2.087 215 HG2 LYS 25 2HG LYS 25 12.993 0.736 -0.103 216 HG3 LYS 25 1HG LYS 25 14.643 1.338 -0.278 217 HD2 LYS 25 2HD LYS 25 13.975 1.910 -2.707 218 HD3 LYS 25 1HD LYS 25 12.312 1.690 -2.163 219 HE2 LYS 25 2HE LYS 25 12.428 3.509 -0.665 220 HE3 LYS 25 1HE LYS 25 14.202 3.488 -0.639 221 HZ1 LYS 25 3HZ LYS 25 14.225 4.102 -2.967 222 HZ2 LYS 25 1HZ LYS 25 13.340 5.251 -2.087 223 HZ3 LYS 25 2HZ LYS 25 12.528 4.089 -3.023 224 H ASP 26 H ASP 26 13.020 -0.615 1.382 225 HA ASP 26 HA ASP 26 15.289 0.173 3.164 226 HB2 ASP 26 2HB ASP 26 13.565 1.849 1.818 227 HB3 ASP 26 1HB ASP 26 12.763 1.684 3.380 228 H GLY 27 H GLY 27 14.797 -2.079 4.050 229 HA2 GLY 27 2HA GLY 27 12.266 -2.669 5.271 230 HA3 GLY 27 1HA GLY 27 13.788 -3.476 5.647 231 H ARG 28 H ARG 28 12.411 -0.196 6.117 232 HA ARG 28 HA ARG 28 12.442 -0.342 8.985 233 HB2 ARG 28 2HB ARG 28 14.495 0.863 9.440 234 HB3 ARG 28 1HB ARG 28 14.899 -0.487 8.380 235 HG2 ARG 28 2HG ARG 28 14.121 1.917 6.897 236 HG3 ARG 28 1HG ARG 28 15.539 2.172 7.914 237 HD2 ARG 28 2HD ARG 28 15.205 -0.082 5.899 238 HD3 ARG 28 1HD ARG 28 16.234 1.349 5.696 239 HE ARG 28 HE ARG 28 17.396 0.564 7.844 240 HH11 ARG 28 1HH1 ARG 28 17.237 -1.220 5.125 241 HH12 ARG 28 2HH1 ARG 28 17.430 -2.774 5.864 242 HH21 ARG 28 1HH2 ARG 28 16.970 -1.591 9.090 243 HH22 ARG 28 2HH2 ARG 28 17.279 -2.984 8.109 244 H ILE 29 H ILE 29 10.921 0.790 6.643 245 HA ILE 29 HA ILE 29 10.998 3.703 7.303 246 HB ILE 29 HB ILE 29 11.275 2.939 4.944 247 HG12 ILE 29 2HG1 ILE 29 8.719 4.435 5.602 248 HG13 ILE 29 1HG1 ILE 29 10.311 5.137 5.317 249 HG21 ILE 29 1HG2 ILE 29 8.438 2.219 4.652 250 HG22 ILE 29 2HG2 ILE 29 9.365 1.069 5.615 251 HG23 ILE 29 3HG2 ILE 29 9.870 1.449 3.968 252 HD11 ILE 29 3HD1 ILE 29 9.784 5.285 3.134 253 HD12 ILE 29 1HD1 ILE 29 8.284 4.393 3.392 254 HD13 ILE 29 2HD1 ILE 29 9.784 3.522 3.069 255 H SER 30 H SER 30 9.180 4.716 8.139 256 HA SER 30 HA SER 30 7.103 2.957 9.268 257 HB2 SER 30 2HB SER 30 6.508 5.560 9.946 258 HB3 SER 30 1HB SER 30 7.591 4.514 10.862 259 HG SER 30 HG SER 30 8.200 6.759 9.702 260 H ASN 31 H ASN 31 4.819 3.346 8.895 261 HA ASN 31 HA ASN 31 3.902 3.555 6.286 262 HB2 ASN 31 2HB ASN 31 2.298 2.888 7.831 263 HB3 ASN 31 1HB ASN 31 2.797 4.093 9.018 264 HD21 ASN 31 1HD2 ASN 31 1.612 4.302 5.606 265 HD22 ASN 31 2HD2 ASN 31 0.417 5.456 5.944 266 H VAL 32 H VAL 32 3.932 6.312 8.614 267 HA VAL 32 HA VAL 32 3.052 8.402 7.067 268 HB VAL 32 HB VAL 32 5.559 8.284 8.784 269 HG11 VAL 32 1HG1 VAL 32 5.673 10.352 7.636 270 HG12 VAL 32 2HG1 VAL 32 4.886 10.753 9.163 271 HG13 VAL 32 3HG1 VAL 32 3.925 10.577 7.695 272 HG21 VAL 32 3HG2 VAL 32 3.597 9.464 10.276 273 HG22 VAL 32 1HG2 VAL 32 3.977 7.743 10.337 274 HG23 VAL 32 2HG2 VAL 32 2.650 8.318 9.326 275 H GLU 33 H GLU 33 6.492 7.373 7.075 276 HA GLU 33 HA GLU 33 7.189 8.876 4.717 277 HB2 GLU 33 2HB GLU 33 8.394 7.198 6.673 278 HB3 GLU 33 1HB GLU 33 8.764 6.483 5.104 279 HG2 GLU 33 2HG GLU 33 10.496 8.008 5.245 280 HG3 GLU 33 1HG GLU 33 9.275 9.020 4.472 281 H LEU 34 H LEU 34 6.099 5.561 5.326 282 HA LEU 34 HA LEU 34 6.337 4.539 2.671 283 HB2 LEU 34 2HB LEU 34 5.582 3.670 5.183 284 HB3 LEU 34 1HB LEU 34 4.068 3.602 4.282 285 HG LEU 34 HG LEU 34 6.691 2.314 3.472 286 HD11 LEU 34 1HD1 LEU 34 5.801 0.891 5.086 287 HD12 LEU 34 2HD1 LEU 34 5.025 0.271 3.628 288 HD13 LEU 34 3HD1 LEU 34 4.139 1.343 4.712 289 HD21 LEU 34 3HD2 LEU 34 5.291 3.206 1.570 290 HD22 LEU 34 1HD2 LEU 34 3.978 2.164 2.121 291 HD23 LEU 34 2HD2 LEU 34 5.487 1.453 1.549 292 H SER 35 H SER 35 4.215 6.870 4.026 293 HA SER 35 HA SER 35 2.008 6.392 2.145 294 HB2 SER 35 2HB SER 35 0.899 7.972 3.464 295 HB3 SER 35 1HB SER 35 2.002 7.209 4.611 296 HG SER 35 HG SER 35 2.414 9.306 4.894 297 H LYS 36 H LYS 36 4.315 9.071 2.761 298 HA LYS 36 HA LYS 36 3.459 10.504 0.360 299 HB2 LYS 36 2HB LYS 36 5.738 10.879 2.328 300 HB3 LYS 36 1HB LYS 36 5.239 12.072 1.128 301 HG2 LYS 36 2HG LYS 36 3.103 12.359 2.159 302 HG3 LYS 36 1HG LYS 36 3.322 10.930 3.170 303 HD2 LYS 36 2HD LYS 36 5.538 12.555 3.734 304 HD3 LYS 36 1HD LYS 36 4.169 13.664 3.660 305 HE2 LYS 36 2HE LYS 36 2.996 11.750 5.112 306 HE3 LYS 36 1HE LYS 36 4.679 11.414 5.566 307 HZ1 LYS 36 3HZ LYS 36 3.296 13.283 6.777 308 HZ2 LYS 36 1HZ LYS 36 3.807 14.209 5.450 309 HZ3 LYS 36 2HZ LYS 36 4.955 13.477 6.467 310 H ARG 37 H ARG 37 6.026 8.227 1.117 311 HA ARG 37 HA ARG 37 7.757 8.967 -1.084 312 HB2 ARG 37 2HB ARG 37 9.080 7.657 0.193 313 HB3 ARG 37 1HB ARG 37 7.685 7.178 1.150 314 HG2 ARG 37 2HG ARG 37 7.207 5.332 -0.291 315 HG3 ARG 37 1HG ARG 37 8.347 5.908 -1.509 316 HD2 ARG 37 2HD ARG 37 9.408 5.392 1.241 317 HD3 ARG 37 1HD ARG 37 9.052 3.993 0.209 318 HE ARG 37 HE ARG 37 10.736 4.733 -1.320 319 HH11 ARG 37 1HH2 ARG 37 12.346 5.453 1.031 320 HH12 ARG 37 2HH2 ARG 37 12.726 7.121 0.754 321 HH21 ARG 37 1HH1 ARG 37 10.247 7.566 -1.628 322 HH22 ARG 37 2HH1 ARG 37 11.538 8.316 -0.750 323 H VAL 38 H VAL 38 4.828 7.222 -0.889 324 HA VAL 38 HA VAL 38 5.333 5.870 -3.504 325 HB VAL 38 HB VAL 38 3.015 4.828 -2.746 326 HG11 VAL 38 1HG1 VAL 38 5.409 4.047 -1.098 327 HG12 VAL 38 2HG1 VAL 38 5.421 3.822 -2.848 328 HG13 VAL 38 3HG1 VAL 38 4.205 3.008 -1.862 329 HG21 VAL 38 3HG2 VAL 38 4.210 5.670 -0.099 330 HG22 VAL 38 1HG2 VAL 38 2.693 4.813 -0.359 331 HG23 VAL 38 2HG2 VAL 38 2.852 6.498 -0.851 332 H GLY 39 H GLY 39 3.690 8.489 -2.041 333 HA2 GLY 39 2HA GLY 39 2.740 10.268 -3.389 334 HA3 GLY 39 1HA GLY 39 2.375 9.079 -4.638 335 H LEU 40 H LEU 40 1.646 8.796 -1.165 336 HA LEU 40 HA LEU 40 -1.233 9.308 -1.679 337 HB2 LEU 40 2HB LEU 40 -1.585 6.975 -0.485 338 HB3 LEU 40 1HB LEU 40 -1.280 7.032 -2.222 339 HG LEU 40 HG LEU 40 1.169 7.010 -0.626 340 HD11 LEU 40 1HD1 LEU 40 -0.976 5.125 0.019 341 HD12 LEU 40 2HD1 LEU 40 0.538 5.432 0.866 342 HD13 LEU 40 3HD1 LEU 40 0.504 4.319 -0.498 343 HD21 LEU 40 3HD2 LEU 40 0.014 5.797 -3.075 344 HD22 LEU 40 1HD2 LEU 40 1.253 4.846 -2.259 345 HD23 LEU 40 2HD2 LEU 40 1.616 6.479 -2.807 346 H SER 41 H SER 41 -2.482 9.046 0.428 347 HA SER 41 HA SER 41 -1.061 10.369 2.609 348 HB2 SER 41 2HB SER 41 -3.815 9.415 1.954 349 HB3 SER 41 1HB SER 41 -3.430 9.674 3.654 350 HG SER 41 HG SER 41 -3.901 11.670 3.146 351 HA PRO 42 HA PRO 42 0.125 6.816 4.719 352 HB2 PRO 42 2HB PRO 42 -0.118 7.578 7.330 353 HB3 PRO 42 1HB PRO 42 1.150 8.190 6.252 354 HG2 PRO 42 2HG PRO 42 -1.380 9.486 7.120 355 HG3 PRO 42 1HG PRO 42 0.213 10.199 6.829 356 HD2 PRO 42 2HD PRO 42 -1.893 10.324 5.059 357 HD3 PRO 42 1HD PRO 42 -0.183 10.472 4.599 358 H THR 43 H THR 43 -2.731 8.205 6.410 359 HA THR 43 HA THR 43 -3.810 6.015 7.657 360 HB THR 43 HB THR 43 -5.765 7.380 5.934 361 HG1 THR 43 1HG THR 43 -4.056 8.905 7.602 362 HG21 THR 43 3HG2 THR 43 -6.950 7.419 7.877 363 HG22 THR 43 1HG2 THR 43 -5.559 7.938 8.829 364 HG23 THR 43 2HG2 THR 43 -5.747 6.238 8.399 365 HA PRO 44 HA PRO 44 -5.474 4.197 3.585 366 HB2 PRO 44 2HB PRO 44 -4.697 5.357 1.227 367 HB3 PRO 44 1HB PRO 44 -6.143 5.871 2.119 368 HG2 PRO 44 2HG PRO 44 -3.461 7.143 1.961 369 HG3 PRO 44 1HG PRO 44 -5.060 7.889 2.091 370 HD2 PRO 44 2HD PRO 44 -3.286 7.588 4.189 371 HD3 PRO 44 1HD PRO 44 -5.037 7.814 4.367 372 H CYS 45 H CYS 45 -2.247 5.709 3.102 373 HA CYS 45 HA CYS 45 -0.904 3.803 1.609 374 HB2 CYS 45 2HB CYS 45 0.119 5.820 2.592 375 HB3 CYS 45 1HB CYS 45 -0.037 5.120 4.202 376 HG CYS 45 HG CYS 45 1.696 3.634 2.082 377 H LEU 46 H LEU 46 -1.717 3.652 5.060 378 HA LEU 46 HA LEU 46 -0.626 1.028 5.523 379 HB2 LEU 46 2HB LEU 46 -2.903 2.557 6.832 380 HB3 LEU 46 1HB LEU 46 -2.037 1.194 7.546 381 HG LEU 46 HG LEU 46 -0.127 3.130 6.639 382 HD11 LEU 46 1HD1 LEU 46 -1.532 4.466 8.818 383 HD12 LEU 46 2HD1 LEU 46 -2.513 4.382 7.356 384 HD13 LEU 46 3HD1 LEU 46 -0.919 5.136 7.306 385 HD21 LEU 46 3HD2 LEU 46 -1.000 2.109 9.355 386 HD22 LEU 46 1HD2 LEU 46 0.412 3.137 9.111 387 HD23 LEU 46 2HD2 LEU 46 0.354 1.532 8.382 388 H GLU 47 H GLU 47 -3.949 2.211 4.878 389 HA GLU 47 HA GLU 47 -5.362 -0.173 4.735 390 HB2 GLU 47 2HB GLU 47 -5.364 2.365 3.109 391 HB3 GLU 47 1HB GLU 47 -6.487 1.067 2.707 392 HG2 GLU 47 2HG GLU 47 -6.672 1.298 5.485 393 HG3 GLU 47 1HG GLU 47 -6.578 2.966 4.915 394 H ARG 48 H ARG 48 -3.092 1.178 2.376 395 HA ARG 48 HA ARG 48 -3.408 -0.912 0.392 396 HB2 ARG 48 2HB ARG 48 -1.039 0.918 0.895 397 HB3 ARG 48 1HB ARG 48 -1.528 0.207 -0.645 398 HG2 ARG 48 2HG ARG 48 -3.486 1.946 0.820 399 HG3 ARG 48 1HG ARG 48 -2.166 2.713 -0.058 400 HD2 ARG 48 2HD ARG 48 -3.290 2.409 -1.997 401 HD3 ARG 48 1HD ARG 48 -3.288 0.655 -1.721 402 HE ARG 48 HE ARG 48 -5.489 0.840 -0.861 403 HH11 ARG 48 1HH2 ARG 48 -5.091 3.594 -2.477 404 HH12 ARG 48 2HH2 ARG 48 -5.975 4.634 -1.410 405 HH21 ARG 48 1HH1 ARG 48 -6.127 2.313 1.161 406 HH22 ARG 48 2HH1 ARG 48 -6.558 3.910 0.648 407 H VAL 49 H VAL 49 -0.820 -0.163 2.748 408 HA VAL 49 HA VAL 49 0.678 -2.563 2.393 409 HB VAL 49 HB VAL 49 0.607 -0.203 4.044 410 HG11 VAL 49 1HG1 VAL 49 -0.193 -1.608 5.873 411 HG12 VAL 49 2HG1 VAL 49 1.498 -1.208 6.153 412 HG13 VAL 49 3HG1 VAL 49 1.062 -2.804 5.547 413 HG21 VAL 49 3HG2 VAL 49 2.832 -0.341 3.636 414 HG22 VAL 49 1HG2 VAL 49 2.432 -1.735 2.632 415 HG23 VAL 49 2HG2 VAL 49 2.936 -1.969 4.304 416 H ARG 50 H ARG 50 -1.798 -1.727 4.837 417 HA ARG 50 HA ARG 50 -1.935 -3.995 6.375 418 HB2 ARG 50 2HB ARG 50 -4.290 -2.577 5.089 419 HB3 ARG 50 1HB ARG 50 -4.316 -3.458 6.617 420 HG2 ARG 50 2HG ARG 50 -2.208 -1.443 6.571 421 HG3 ARG 50 1HG ARG 50 -3.797 -0.732 6.297 422 HD2 ARG 50 2HD ARG 50 -3.467 -2.747 8.502 423 HD3 ARG 50 1HD ARG 50 -2.953 -1.071 8.766 424 HE ARG 50 HE ARG 50 -5.229 -0.423 8.692 425 HH11 ARG 50 1HH1 ARG 50 -5.894 -1.491 6.015 426 HH12 ARG 50 2HH1 ARG 50 -7.070 -2.712 6.370 427 HH21 ARG 50 1HH2 ARG 50 -6.258 -2.890 9.737 428 HH22 ARG 50 2HH2 ARG 50 -7.275 -3.505 8.478 429 H ARG 51 H ARG 51 -3.566 -3.582 3.236 430 HA ARG 51 HA ARG 51 -4.643 -6.164 2.931 431 HB2 ARG 51 2HB ARG 51 -5.254 -4.916 1.120 432 HB3 ARG 51 1HB ARG 51 -3.840 -3.876 1.275 433 HG2 ARG 51 2HG ARG 51 -3.751 -5.076 -0.860 434 HG3 ARG 51 1HG ARG 51 -2.457 -5.641 0.194 435 HD2 ARG 51 2HD ARG 51 -3.336 -7.683 -0.538 436 HD3 ARG 51 1HD ARG 51 -4.307 -7.425 0.926 437 HE ARG 51 HE ARG 51 -5.745 -6.065 -0.977 438 HH11 ARG 51 1HH2 ARG 51 -4.161 -8.254 -2.638 439 HH12 ARG 51 2HH2 ARG 51 -5.440 -9.399 -2.861 440 HH21 ARG 51 1HH1 ARG 51 -7.506 -7.960 -0.477 441 HH22 ARG 51 2HH1 ARG 51 -7.334 -9.232 -1.638 442 H LEU 52 H LEU 52 -1.369 -4.971 2.165 443 HA LEU 52 HA LEU 52 -0.339 -7.482 1.194 444 HB2 LEU 52 2HB LEU 52 0.908 -5.006 2.427 445 HB3 LEU 52 1HB LEU 52 1.851 -6.303 1.694 446 HG LEU 52 HG LEU 52 -0.310 -4.719 0.278 447 HD11 LEU 52 1HD1 LEU 52 1.886 -4.062 -1.054 448 HD12 LEU 52 2HD1 LEU 52 2.665 -4.439 0.482 449 HD13 LEU 52 3HD1 LEU 52 1.428 -3.186 0.407 450 HD21 LEU 52 3HD2 LEU 52 0.716 -5.849 -1.739 451 HD22 LEU 52 1HD2 LEU 52 -0.126 -6.946 -0.644 452 HD23 LEU 52 2HD2 LEU 52 1.636 -6.862 -0.625 453 H GLU 53 H GLU 53 -1.075 -6.307 4.359 454 HA GLU 53 HA GLU 53 0.830 -7.921 5.849 455 HB2 GLU 53 2HB GLU 53 -1.069 -5.875 6.284 456 HB3 GLU 53 1HB GLU 53 -1.611 -7.240 7.260 457 HG2 GLU 53 2HG GLU 53 1.175 -6.044 7.292 458 HG3 GLU 53 1HG GLU 53 -0.054 -5.817 8.535 459 H ARG 54 H ARG 54 -2.747 -8.180 5.701 460 HA ARG 54 HA ARG 54 -3.074 -10.708 6.815 461 HB2 ARG 54 2HB ARG 54 -5.082 -10.789 5.201 462 HB3 ARG 54 1HB ARG 54 -4.964 -9.365 6.234 463 HG2 ARG 54 2HG ARG 54 -4.500 -7.971 4.484 464 HG3 ARG 54 1HG ARG 54 -3.541 -9.187 3.639 465 HD2 ARG 54 2HD ARG 54 -5.778 -8.547 2.533 466 HD3 ARG 54 1HD ARG 54 -5.520 -10.284 2.800 467 HE ARG 54 HE ARG 54 -6.741 -9.036 5.112 468 HH11 ARG 54 1HH2 ARG 54 -7.741 -9.147 1.902 469 HH12 ARG 54 2HH2 ARG 54 -9.212 -10.010 2.208 470 HH21 ARG 54 1HH1 ARG 54 -8.468 -10.630 5.537 471 HH22 ARG 54 2HH1 ARG 54 -9.623 -10.848 4.265 472 H GLN 55 H GLN 55 -1.777 -9.920 3.650 473 HA GLN 55 HA GLN 55 -2.000 -12.659 2.618 474 HB2 GLN 55 2HB GLN 55 -0.443 -10.233 1.659 475 HB3 GLN 55 1HB GLN 55 -0.822 -11.665 0.701 476 HG2 GLN 55 2HG GLN 55 -3.252 -10.677 1.859 477 HG3 GLN 55 1HG GLN 55 -2.422 -9.338 1.069 478 HE21 GLN 55 1HE2 GLN 55 -4.869 -11.058 0.246 479 HE22 GLN 55 2HE2 GLN 55 -4.500 -11.544 -1.339 480 H GLY 56 H GLY 56 -0.165 -11.491 5.027 481 HA2 GLY 56 2HA GLY 56 1.837 -12.209 6.016 482 HA3 GLY 56 1HA GLY 56 1.766 -13.596 4.927 483 H PHE 57 H PHE 57 2.075 -10.104 4.228 484 HA PHE 57 HA PHE 57 4.687 -10.717 2.888 485 HB2 PHE 57 2HB PHE 57 2.350 -9.006 1.987 486 HB3 PHE 57 1HB PHE 57 3.917 -9.020 1.178 487 HD1 PHE 57 2HD PHE 57 4.558 -11.970 1.584 488 HD2 PHE 57 1HD PHE 57 0.994 -9.970 0.257 489 HE1 PHE 57 2HE PHE 57 3.891 -13.997 0.325 490 HE2 PHE 57 1HE PHE 57 0.328 -11.999 -1.005 491 HZ PHE 57 HZ PHE 57 1.777 -14.013 -0.971 492 H ILE 58 H ILE 58 3.480 -9.249 5.481 493 HA ILE 58 HA ILE 58 5.471 -7.029 5.362 494 HB ILE 58 HB ILE 58 2.729 -6.653 6.543 495 HG12 ILE 58 2HG1 ILE 58 2.500 -7.421 4.154 496 HG13 ILE 58 1HG1 ILE 58 1.927 -5.776 4.423 497 HG21 ILE 58 1HG2 ILE 58 3.336 -4.456 6.669 498 HG22 ILE 58 2HG2 ILE 58 4.200 -4.501 5.131 499 HG23 ILE 58 3HG2 ILE 58 4.970 -5.113 6.596 500 HD11 ILE 58 3HD1 ILE 58 4.775 -5.847 3.795 501 HD12 ILE 58 1HD1 ILE 58 3.487 -4.908 3.040 502 HD13 ILE 58 2HD1 ILE 58 3.798 -6.562 2.513 503 H GLN 59 H GLN 59 5.930 -9.434 6.681 504 HA GLN 59 HA GLN 59 5.108 -9.260 9.483 505 HB2 GLN 59 2HB GLN 59 6.648 -11.215 9.666 506 HB3 GLN 59 1HB GLN 59 5.511 -11.397 8.331 507 HG2 GLN 59 2HG GLN 59 7.356 -11.808 7.073 508 HG3 GLN 59 1HG GLN 59 7.596 -10.062 7.128 509 HE21 GLN 59 1HE2 GLN 59 9.986 -10.734 6.951 510 HE22 GLN 59 2HE2 GLN 59 10.805 -11.115 8.388 511 H GLY 60 H GLY 60 7.584 -7.901 7.553 512 HA2 GLY 60 2HA GLY 60 8.941 -6.893 10.012 513 HA3 GLY 60 1HA GLY 60 9.904 -7.516 8.671 514 H TYR 61 H TYR 61 8.516 -6.511 6.495 515 HA TYR 61 HA TYR 61 9.495 -3.906 6.136 516 HB2 TYR 61 2HB TYR 61 7.151 -5.416 4.967 517 HB3 TYR 61 1HB TYR 61 7.709 -3.877 4.316 518 HD1 TYR 61 2HD TYR 61 10.570 -3.960 4.432 519 HD2 TYR 61 1HD TYR 61 7.833 -7.154 3.563 520 HE1 TYR 61 2HE TYR 61 12.346 -5.139 3.164 521 HE2 TYR 61 1HE TYR 61 9.609 -8.331 2.294 522 HH TYR 61 HH TYR 61 12.316 -8.261 2.426 523 H THR 62 H THR 62 6.118 -3.807 5.650 524 HA THR 62 HA THR 62 5.924 -1.559 7.518 525 HB THR 62 HB THR 62 3.628 -2.735 5.996 526 HG1 THR 62 1HG THR 62 4.744 -2.638 4.237 527 HG21 THR 62 3HG2 THR 62 3.466 -0.179 5.508 528 HG22 THR 62 1HG2 THR 62 4.620 -0.032 6.832 529 HG23 THR 62 2HG2 THR 62 3.041 -0.772 7.114 530 H ALA 63 H ALA 63 6.030 -4.658 8.180 531 HA ALA 63 HA ALA 63 3.740 -5.639 9.345 532 HB1 ALA 63 1HB ALA 63 5.939 -5.823 11.217 533 HB2 ALA 63 2HB ALA 63 6.549 -5.958 9.568 534 HB3 ALA 63 3HB ALA 63 5.305 -7.069 10.142 535 H LEU 64 H LEU 64 5.607 -2.841 10.363 536 HA LEU 64 HA LEU 64 4.732 -2.460 13.014 537 HB2 LEU 64 2HB LEU 64 5.047 0.014 12.328 538 HB3 LEU 64 1HB LEU 64 6.426 -1.057 12.098 539 HG LEU 64 HG LEU 64 4.823 -1.247 9.756 540 HD11 LEU 64 1HD1 LEU 64 4.619 1.015 9.008 541 HD12 LEU 64 2HD1 LEU 64 5.537 1.624 10.384 542 HD13 LEU 64 3HD1 LEU 64 3.915 0.976 10.626 543 HD21 LEU 64 3HD2 LEU 64 7.521 -0.121 10.487 544 HD22 LEU 64 1HD2 LEU 64 6.915 0.019 8.837 545 HD23 LEU 64 2HD2 LEU 64 7.144 -1.574 9.560 546 H LEU 65 H LEU 65 3.089 -1.839 9.988 547 HA LEU 65 HA LEU 65 0.943 -0.232 10.923 548 HB2 LEU 65 2HB LEU 65 0.128 -0.575 8.771 549 HB3 LEU 65 1HB LEU 65 1.797 -1.087 8.539 550 HG LEU 65 HG LEU 65 0.473 -2.807 7.556 551 HD11 LEU 65 1HD1 LEU 65 2.032 -3.335 9.853 552 HD12 LEU 65 2HD1 LEU 65 1.647 -4.445 8.546 553 HD13 LEU 65 3HD1 LEU 65 0.614 -4.369 9.973 554 HD21 LEU 65 3HD2 LEU 65 -1.466 -1.954 9.416 555 HD22 LEU 65 1HD2 LEU 65 -1.163 -3.652 9.785 556 HD23 LEU 65 2HD2 LEU 65 -1.662 -3.176 8.162 557 H ASN 66 H ASN 66 1.696 -3.417 11.761 558 HA ASN 66 HA ASN 66 -0.684 -4.842 11.927 559 HB2 ASN 66 2HB ASN 66 1.681 -5.437 12.687 560 HB3 ASN 66 1HB ASN 66 1.327 -4.561 14.178 561 HD21 ASN 66 1HD2 ASN 66 1.748 -6.988 14.948 562 HD22 ASN 66 2HD2 ASN 66 0.360 -7.958 15.069 Start of MODEL 25 1 H1 MET 1 1HT MET 1 18.659 -13.483 -8.914 2 H2 MET 1 2HT MET 1 19.225 -13.958 -10.443 3 H3 MET 1 3HT MET 1 17.725 -13.174 -10.296 4 HA MET 1 HA MET 1 19.689 -11.531 -9.124 5 HB2 MET 1 2HB MET 1 20.300 -12.862 -11.764 6 HB3 MET 1 1HB MET 1 20.933 -11.256 -11.400 7 HG2 MET 1 2HG MET 1 21.836 -12.232 -9.231 8 HG3 MET 1 1HG MET 1 21.425 -13.823 -9.873 9 HE1 MET 1 2HE MET 1 24.333 -10.700 -10.923 10 HE2 MET 1 3HE MET 1 22.585 -10.539 -10.766 11 HE3 MET 1 1HE MET 1 23.313 -10.792 -12.357 12 H VAL 2 H VAL 2 17.065 -11.109 -9.325 13 HA VAL 2 HA VAL 2 16.771 -9.214 -11.632 14 HB VAL 2 HB VAL 2 14.470 -9.958 -11.825 15 HG11 VAL 2 1HG1 VAL 2 15.133 -11.766 -12.994 16 HG12 VAL 2 2HG1 VAL 2 15.443 -12.661 -11.507 17 HG13 VAL 2 3HG1 VAL 2 16.705 -11.646 -12.202 18 HG21 VAL 2 3HG2 VAL 2 13.954 -12.029 -10.204 19 HG22 VAL 2 1HG2 VAL 2 13.614 -10.368 -9.721 20 HG23 VAL 2 2HG2 VAL 2 15.084 -11.165 -9.162 21 H ASP 3 H ASP 3 14.324 -8.113 -10.841 22 HA ASP 3 HA ASP 3 14.968 -6.922 -8.160 23 HB2 ASP 3 2HB ASP 3 14.652 -5.798 -10.824 24 HB3 ASP 3 1HB ASP 3 13.513 -5.068 -9.693 25 H SER 4 H SER 4 12.666 -8.561 -10.079 26 HA SER 4 HA SER 4 10.188 -7.535 -9.144 27 HB2 SER 4 2HB SER 4 9.669 -9.126 -10.669 28 HB3 SER 4 1HB SER 4 11.272 -9.844 -10.524 29 HG SER 4 HG SER 4 10.120 -11.413 -9.678 30 H LYS 5 H LYS 5 9.126 -7.744 -7.194 31 HA LYS 5 HA LYS 5 10.531 -9.176 -5.000 32 HB2 LYS 5 2HB LYS 5 9.077 -6.766 -5.328 33 HB3 LYS 5 1HB LYS 5 8.098 -7.787 -4.276 34 HG2 LYS 5 2HG LYS 5 9.471 -7.297 -2.562 35 HG3 LYS 5 1HG LYS 5 10.796 -8.074 -3.431 36 HD2 LYS 5 2HD LYS 5 9.967 -5.254 -4.096 37 HD3 LYS 5 1HD LYS 5 11.071 -5.576 -2.757 38 HE2 LYS 5 2HE LYS 5 12.617 -6.740 -4.280 39 HE3 LYS 5 1HE LYS 5 11.497 -6.476 -5.631 40 HZ1 LYS 5 3HZ LYS 5 12.963 -4.455 -4.039 41 HZ2 LYS 5 1HZ LYS 5 11.590 -4.044 -4.947 42 HZ3 LYS 5 2HZ LYS 5 12.965 -4.669 -5.725 43 H LYS 6 H LYS 6 8.393 -10.095 -7.284 44 HA LYS 6 HA LYS 6 6.826 -11.858 -7.410 45 HB2 LYS 6 2HB LYS 6 7.810 -12.455 -4.604 46 HB3 LYS 6 1HB LYS 6 7.177 -13.603 -5.784 47 HG2 LYS 6 2HG LYS 6 9.174 -12.650 -7.261 48 HG3 LYS 6 1HG LYS 6 9.855 -12.273 -5.678 49 HD2 LYS 6 2HD LYS 6 10.583 -14.418 -5.664 50 HD3 LYS 6 1HD LYS 6 8.904 -14.847 -5.332 51 HE2 LYS 6 2HE LYS 6 8.526 -14.901 -7.850 52 HE3 LYS 6 1HE LYS 6 10.287 -14.771 -8.031 53 HZ1 LYS 6 3HZ LYS 6 10.162 -17.009 -7.812 54 HZ2 LYS 6 1HZ LYS 6 8.689 -16.967 -6.970 55 HZ3 LYS 6 2HZ LYS 6 10.143 -16.635 -6.155 56 H ARG 7 H ARG 7 5.940 -12.539 -4.316 57 HA ARG 7 HA ARG 7 4.021 -11.978 -3.040 58 HB2 ARG 7 2HB ARG 7 5.469 -9.625 -3.786 59 HB3 ARG 7 1HB ARG 7 3.750 -9.247 -3.895 60 HG2 ARG 7 2HG ARG 7 4.429 -8.778 -1.633 61 HG3 ARG 7 1HG ARG 7 3.487 -10.269 -1.586 62 HD2 ARG 7 2HD ARG 7 5.353 -10.898 -0.319 63 HD3 ARG 7 1HD ARG 7 5.890 -11.381 -1.941 64 HE ARG 7 HE ARG 7 6.505 -8.612 -1.522 65 HH11 ARG 7 1HH1 ARG 7 7.255 -10.656 0.867 66 HH12 ARG 7 2HH1 ARG 7 8.962 -10.738 0.582 67 HH21 ARG 7 1HH2 ARG 7 8.785 -9.199 -2.520 68 HH22 ARG 7 2HH2 ARG 7 9.828 -9.913 -1.336 69 HA PRO 8 HA PRO 8 0.473 -11.893 -5.663 70 HB2 PRO 8 2HB PRO 8 -1.113 -9.760 -4.958 71 HB3 PRO 8 1HB PRO 8 -0.981 -11.241 -3.989 72 HG2 PRO 8 2HG PRO 8 0.367 -8.606 -3.615 73 HG3 PRO 8 1HG PRO 8 -0.325 -9.700 -2.406 74 HD2 PRO 8 2HD PRO 8 2.333 -9.544 -2.881 75 HD3 PRO 8 1HD PRO 8 1.546 -11.045 -2.360 76 H GLY 9 H GLY 9 2.538 -10.934 -7.056 77 HA2 GLY 9 2HA GLY 9 2.614 -8.342 -8.056 78 HA3 GLY 9 1HA GLY 9 2.988 -9.759 -9.041 79 H LYS 10 H LYS 10 0.841 -10.991 -9.710 80 HA LYS 10 HA LYS 10 -0.595 -9.567 -11.586 81 HB2 LYS 10 2HB LYS 10 -0.645 -12.038 -11.070 82 HB3 LYS 10 1HB LYS 10 -1.747 -11.683 -9.739 83 HG2 LYS 10 2HG LYS 10 -3.278 -12.138 -11.420 84 HG3 LYS 10 1HG LYS 10 -3.089 -10.397 -11.634 85 HD2 LYS 10 2HD LYS 10 -1.073 -11.186 -13.199 86 HD3 LYS 10 1HD LYS 10 -2.066 -12.639 -13.323 87 HE2 LYS 10 2HE LYS 10 -3.544 -11.592 -14.690 88 HE3 LYS 10 1HE LYS 10 -3.671 -10.209 -13.586 89 HZ1 LYS 10 3HZ LYS 10 -1.768 -10.671 -15.775 90 HZ2 LYS 10 1HZ LYS 10 -1.249 -9.780 -14.428 91 HZ3 LYS 10 2HZ LYS 10 -2.580 -9.244 -15.338 92 H ASP 11 H ASP 11 -2.508 -8.301 -11.592 93 HA ASP 11 HA ASP 11 -3.923 -6.630 -10.678 94 HB2 ASP 11 2HB ASP 11 -4.247 -8.921 -8.708 95 HB3 ASP 11 1HB ASP 11 -5.412 -7.624 -8.972 96 H LEU 12 H LEU 12 -4.264 -7.102 -7.513 97 HA LEU 12 HA LEU 12 -3.288 -6.177 -5.565 98 HB2 LEU 12 2HB LEU 12 -1.272 -7.316 -7.081 99 HB3 LEU 12 1HB LEU 12 -0.684 -5.674 -6.811 100 HG LEU 12 HG LEU 12 -0.053 -7.366 -5.023 101 HD11 LEU 12 1HD1 LEU 12 0.238 -5.212 -4.257 102 HD12 LEU 12 2HD1 LEU 12 -1.044 -5.733 -3.163 103 HD13 LEU 12 3HD1 LEU 12 -1.437 -4.763 -4.583 104 HD21 LEU 12 3HD2 LEU 12 -2.819 -7.024 -3.938 105 HD22 LEU 12 1HD2 LEU 12 -1.655 -8.314 -3.640 106 HD23 LEU 12 2HD2 LEU 12 -2.547 -8.266 -5.160 107 H ASP 13 H ASP 13 -3.426 -4.076 -4.841 108 HA ASP 13 HA ASP 13 -3.861 -1.897 -6.646 109 HB2 ASP 13 2HB ASP 13 -3.386 -2.283 -3.704 110 HB3 ASP 13 1HB ASP 13 -3.418 -0.644 -4.356 111 H ARG 14 H ARG 14 -2.445 -0.413 -7.506 112 HA ARG 14 HA ARG 14 0.306 -0.930 -7.749 113 HB2 ARG 14 2HB ARG 14 -1.409 0.700 -8.931 114 HB3 ARG 14 1HB ARG 14 -0.779 1.868 -7.769 115 HG2 ARG 14 2HG ARG 14 0.468 1.887 -9.935 116 HG3 ARG 14 1HG ARG 14 1.494 1.493 -8.556 117 HD2 ARG 14 2HD ARG 14 1.657 -0.773 -9.158 118 HD3 ARG 14 1HD ARG 14 0.169 -0.718 -10.125 119 HE ARG 14 HE ARG 14 1.388 0.546 -11.834 120 HH11 ARG 14 1HH2 ARG 14 3.358 0.884 -9.201 121 HH12 ARG 14 2HH2 ARG 14 4.825 0.400 -9.984 122 HH21 ARG 14 1HH1 ARG 14 3.236 -0.732 -12.850 123 HH22 ARG 14 2HH1 ARG 14 4.756 -0.515 -12.050 124 H ILE 15 H ILE 15 -1.438 0.818 -5.240 125 HA ILE 15 HA ILE 15 0.817 2.138 -4.037 126 HB ILE 15 HB ILE 15 -1.750 1.149 -2.764 127 HG12 ILE 15 2HG1 ILE 15 -2.377 2.337 -4.759 128 HG13 ILE 15 1HG1 ILE 15 -2.576 3.467 -3.420 129 HG21 ILE 15 1HG2 ILE 15 -0.926 2.212 -0.958 130 HG22 ILE 15 2HG2 ILE 15 -0.998 3.719 -1.871 131 HG23 ILE 15 3HG2 ILE 15 0.481 2.758 -1.870 132 HD11 ILE 15 3HD1 ILE 15 -1.293 4.867 -4.662 133 HD12 ILE 15 1HD1 ILE 15 -0.699 3.558 -5.683 134 HD13 ILE 15 2HD1 ILE 15 0.055 3.867 -4.118 135 H ASP 16 H ASP 16 -0.384 -1.136 -3.908 136 HA ASP 16 HA ASP 16 1.094 -1.839 -1.470 137 HB2 ASP 16 2HB ASP 16 -0.606 -3.211 -3.543 138 HB3 ASP 16 1HB ASP 16 0.328 -4.178 -2.401 139 H ARG 17 H ARG 17 1.328 -2.788 -4.930 140 HA ARG 17 HA ARG 17 3.705 -4.275 -4.789 141 HB2 ARG 17 2HB ARG 17 2.870 -2.366 -6.988 142 HB3 ARG 17 1HB ARG 17 3.834 -3.832 -7.175 143 HG2 ARG 17 2HG ARG 17 1.748 -4.998 -6.071 144 HG3 ARG 17 1HG ARG 17 0.895 -3.557 -6.626 145 HD2 ARG 17 2HD ARG 17 2.592 -5.348 -8.408 146 HD3 ARG 17 1HD ARG 17 0.819 -5.372 -8.334 147 HE ARG 17 HE ARG 17 1.202 -2.757 -8.797 148 HH11 ARG 17 1HH1 ARG 17 4.034 -3.253 -9.633 149 HH12 ARG 17 2HH1 ARG 17 3.875 -3.479 -11.343 150 HH21 ARG 17 1HH2 ARG 17 0.451 -4.015 -11.220 151 HH22 ARG 17 2HH2 ARG 17 1.845 -3.913 -12.242 152 H ASN 18 H ASN 18 3.375 -0.795 -5.432 153 HA ASN 18 HA ASN 18 6.182 -0.233 -5.509 154 HB2 ASN 18 2HB ASN 18 3.916 1.111 -6.072 155 HB3 ASN 18 1HB ASN 18 4.222 1.767 -4.462 156 HD21 ASN 18 1HD2 ASN 18 4.903 2.310 -7.697 157 HD22 ASN 18 2HD2 ASN 18 6.338 3.201 -7.524 158 H ILE 19 H ILE 19 3.783 -0.235 -2.884 159 HA ILE 19 HA ILE 19 5.531 0.741 -0.832 160 HB ILE 19 HB ILE 19 2.963 -0.807 -1.029 161 HG12 ILE 19 2HG1 ILE 19 3.736 1.773 0.370 162 HG13 ILE 19 1HG1 ILE 19 3.032 1.674 -1.245 163 HG21 ILE 19 1HG2 ILE 19 3.439 -1.875 0.914 164 HG22 ILE 19 2HG2 ILE 19 3.207 -0.297 1.668 165 HG23 ILE 19 3HG2 ILE 19 4.829 -0.841 1.241 166 HD11 ILE 19 3HD1 ILE 19 0.989 1.658 -0.303 167 HD12 ILE 19 1HD1 ILE 19 1.696 1.600 1.311 168 HD13 ILE 19 2HD1 ILE 19 1.381 0.104 0.430 169 H LEU 20 H LEU 20 4.896 -2.486 -2.169 170 HA LEU 20 HA LEU 20 6.386 -3.955 -0.166 171 HB2 LEU 20 2HB LEU 20 5.206 -4.368 -2.878 172 HB3 LEU 20 1HB LEU 20 6.462 -5.506 -2.389 173 HG LEU 20 HG LEU 20 4.076 -4.828 -0.657 174 HD11 LEU 20 1HD1 LEU 20 4.478 -6.972 -2.744 175 HD12 LEU 20 2HD1 LEU 20 3.111 -5.874 -2.553 176 HD13 LEU 20 3HD1 LEU 20 3.352 -7.191 -1.405 177 HD21 LEU 20 3HD2 LEU 20 5.350 -7.431 -0.355 178 HD22 LEU 20 1HD2 LEU 20 5.037 -6.196 0.863 179 HD23 LEU 20 2HD2 LEU 20 6.500 -6.116 -0.119 180 H ASN 21 H ASN 21 7.206 -2.590 -3.369 181 HA ASN 21 HA ASN 21 9.931 -3.532 -3.412 182 HB2 ASN 21 2HB ASN 21 8.130 -1.734 -4.886 183 HB3 ASN 21 1HB ASN 21 9.812 -1.201 -4.912 184 HD21 ASN 21 1HD2 ASN 21 7.653 -3.890 -5.798 185 HD22 ASN 21 2HD2 ASN 21 8.751 -4.646 -6.849 186 H GLU 22 H GLU 22 8.337 -0.654 -2.117 187 HA GLU 22 HA GLU 22 10.778 0.774 -1.468 188 HB2 GLU 22 2HB GLU 22 7.845 0.929 -0.816 189 HB3 GLU 22 1HB GLU 22 8.982 1.934 0.084 190 HG2 GLU 22 2HG GLU 22 9.481 3.240 -1.736 191 HG3 GLU 22 1HG GLU 22 9.300 1.902 -2.874 192 H LEU 23 H LEU 23 8.725 -1.586 0.172 193 HA LEU 23 HA LEU 23 9.872 -1.269 2.805 194 HB2 LEU 23 2HB LEU 23 8.090 -3.081 1.304 195 HB3 LEU 23 1HB LEU 23 8.975 -3.866 2.611 196 HG LEU 23 HG LEU 23 6.825 -2.967 3.420 197 HD11 LEU 23 1HD1 LEU 23 9.055 -1.225 4.481 198 HD12 LEU 23 2HD1 LEU 23 8.977 -2.955 4.817 199 HD13 LEU 23 3HD1 LEU 23 7.681 -1.890 5.362 200 HD21 LEU 23 3HD2 LEU 23 7.633 -0.730 1.795 201 HD22 LEU 23 1HD2 LEU 23 7.354 -0.185 3.449 202 HD23 LEU 23 2HD2 LEU 23 6.077 -1.024 2.571 203 H GLN 24 H GLN 24 10.737 -3.113 -0.072 204 HA GLN 24 HA GLN 24 12.796 -4.710 1.258 205 HB2 GLN 24 2HB GLN 24 11.454 -4.473 -1.303 206 HB3 GLN 24 1HB GLN 24 13.197 -4.613 -1.537 207 HG2 GLN 24 2HG GLN 24 12.079 -6.440 0.494 208 HG3 GLN 24 1HG GLN 24 11.526 -6.745 -1.152 209 HE21 GLN 24 1HE2 GLN 24 12.816 -8.640 -1.533 210 HE22 GLN 24 2HE2 GLN 24 14.512 -8.596 -1.589 211 H LYS 25 H LYS 25 12.737 -1.852 -0.894 212 HA LYS 25 HA LYS 25 15.620 -1.514 -0.921 213 HB2 LYS 25 2HB LYS 25 13.274 0.313 -1.524 214 HB3 LYS 25 1HB LYS 25 14.951 0.707 -1.899 215 HG2 LYS 25 2HG LYS 25 15.009 -1.529 -3.176 216 HG3 LYS 25 1HG LYS 25 13.249 -1.504 -3.054 217 HD2 LYS 25 2HD LYS 25 14.723 0.913 -4.076 218 HD3 LYS 25 1HD LYS 25 14.382 -0.438 -5.158 219 HE2 LYS 25 2HE LYS 25 11.998 0.149 -3.659 220 HE3 LYS 25 1HE LYS 25 12.601 1.646 -4.399 221 HZ1 LYS 25 3HZ LYS 25 12.714 -0.807 -5.988 222 HZ2 LYS 25 1HZ LYS 25 12.449 0.791 -6.490 223 HZ3 LYS 25 2HZ LYS 25 11.188 -0.094 -5.774 224 H ASP 26 H ASP 26 12.980 0.171 0.790 225 HA ASP 26 HA ASP 26 15.038 1.096 2.754 226 HB2 ASP 26 2HB ASP 26 12.755 2.414 1.343 227 HB3 ASP 26 1HB ASP 26 13.086 2.927 2.998 228 H GLY 27 H GLY 27 14.338 -1.134 3.699 229 HA2 GLY 27 2HA GLY 27 11.732 -1.582 4.731 230 HA3 GLY 27 1HA GLY 27 13.205 -2.288 5.397 231 H ARG 28 H ARG 28 12.465 -1.982 7.562 232 HA ARG 28 HA ARG 28 11.793 -0.685 9.475 233 HB2 ARG 28 2HB ARG 28 13.884 0.820 9.917 234 HB3 ARG 28 1HB ARG 28 14.124 -0.919 9.761 235 HG2 ARG 28 2HG ARG 28 14.291 0.850 7.334 236 HG3 ARG 28 1HG ARG 28 15.676 0.694 8.411 237 HD2 ARG 28 2HD ARG 28 14.621 -1.933 7.920 238 HD3 ARG 28 1HD ARG 28 14.872 -1.116 6.364 239 HE ARG 28 HE ARG 28 17.117 -0.517 7.971 240 HH11 ARG 28 1HH2 ARG 28 16.853 -2.047 5.251 241 HH12 ARG 28 2HH2 ARG 28 17.736 -3.486 5.640 242 HH21 ARG 28 1HH1 ARG 28 17.706 -2.897 9.058 243 HH22 ARG 28 2HH1 ARG 28 18.218 -3.967 7.795 244 H ILE 29 H ILE 29 10.459 0.415 7.160 245 HA ILE 29 HA ILE 29 10.699 3.356 7.687 246 HB ILE 29 HB ILE 29 11.234 2.729 5.401 247 HG12 ILE 29 2HG1 ILE 29 8.380 3.753 5.483 248 HG13 ILE 29 1HG1 ILE 29 9.804 4.754 5.770 249 HG21 ILE 29 1HG2 ILE 29 10.248 0.553 5.229 250 HG22 ILE 29 2HG2 ILE 29 9.423 1.557 4.035 251 HG23 ILE 29 3HG2 ILE 29 8.637 1.183 5.570 252 HD11 ILE 29 3HD1 ILE 29 10.263 4.900 3.562 253 HD12 ILE 29 1HD1 ILE 29 8.647 4.252 3.293 254 HD13 ILE 29 2HD1 ILE 29 10.037 3.168 3.326 255 H SER 30 H SER 30 8.982 4.282 8.685 256 HA SER 30 HA SER 30 6.657 2.701 9.405 257 HB2 SER 30 2HB SER 30 7.752 5.440 9.850 258 HB3 SER 30 1HB SER 30 6.030 5.209 10.141 259 HG SER 30 HG SER 30 7.932 4.652 11.786 260 H ASN 31 H ASN 31 4.440 3.215 8.786 261 HA ASN 31 HA ASN 31 3.853 3.456 6.077 262 HB2 ASN 31 2HB ASN 31 1.599 4.131 6.887 263 HB3 ASN 31 1HB ASN 31 2.275 2.833 7.871 264 HD21 ASN 31 1HD2 ASN 31 3.062 3.398 10.045 265 HD22 ASN 31 2HD2 ASN 31 2.597 4.850 10.789 266 H VAL 32 H VAL 32 4.077 6.144 8.435 267 HA VAL 32 HA VAL 32 3.287 8.334 6.966 268 HB VAL 32 HB VAL 32 5.771 7.913 8.662 269 HG11 VAL 32 1HG1 VAL 32 5.927 9.931 7.157 270 HG12 VAL 32 2HG1 VAL 32 5.930 10.317 8.878 271 HG13 VAL 32 3HG1 VAL 32 4.464 10.547 7.926 272 HG21 VAL 32 3HG2 VAL 32 3.293 7.627 9.503 273 HG22 VAL 32 1HG2 VAL 32 3.278 9.390 9.462 274 HG23 VAL 32 2HG2 VAL 32 4.442 8.540 10.480 275 H GLU 33 H GLU 33 6.767 7.493 6.957 276 HA GLU 33 HA GLU 33 7.375 8.842 4.529 277 HB2 GLU 33 2HB GLU 33 8.739 7.556 6.504 278 HB3 GLU 33 1HB GLU 33 8.849 6.351 5.220 279 HG2 GLU 33 2HG GLU 33 10.709 7.650 4.730 280 HG3 GLU 33 1HG GLU 33 9.490 8.456 3.744 281 H LEU 34 H LEU 34 5.924 5.749 5.194 282 HA LEU 34 HA LEU 34 6.321 4.611 2.546 283 HB2 LEU 34 2HB LEU 34 5.443 3.835 5.126 284 HB3 LEU 34 1HB LEU 34 4.100 3.524 4.025 285 HG LEU 34 HG LEU 34 6.954 2.581 3.617 286 HD11 LEU 34 1HD1 LEU 34 5.087 0.447 3.784 287 HD12 LEU 34 2HD1 LEU 34 4.771 1.510 5.154 288 HD13 LEU 34 3HD1 LEU 34 6.382 0.835 4.916 289 HD21 LEU 34 3HD2 LEU 34 6.354 2.144 1.490 290 HD22 LEU 34 1HD2 LEU 34 4.830 2.982 1.780 291 HD23 LEU 34 2HD2 LEU 34 4.943 1.242 2.044 292 H SER 35 H SER 35 4.186 6.911 3.925 293 HA SER 35 HA SER 35 1.960 6.418 2.065 294 HB2 SER 35 2HB SER 35 0.862 8.023 3.395 295 HB3 SER 35 1HB SER 35 1.933 7.192 4.528 296 HG SER 35 HG SER 35 1.882 9.777 3.848 297 H LYS 36 H LYS 36 4.409 8.969 2.611 298 HA LYS 36 HA LYS 36 3.490 10.552 0.333 299 HB2 LYS 36 2HB LYS 36 6.027 10.693 1.994 300 HB3 LYS 36 1HB LYS 36 5.350 11.992 1.012 301 HG2 LYS 36 2HG LYS 36 3.889 12.575 2.631 302 HG3 LYS 36 1HG LYS 36 3.385 10.902 2.871 303 HD2 LYS 36 2HD LYS 36 4.376 11.537 4.936 304 HD3 LYS 36 1HD LYS 36 5.613 10.584 4.117 305 HE2 LYS 36 2HE LYS 36 7.017 12.353 4.326 306 HE3 LYS 36 1HE LYS 36 5.954 13.264 3.235 307 HZ1 LYS 36 3HZ LYS 36 4.835 14.215 4.956 308 HZ2 LYS 36 1HZ LYS 36 6.332 14.010 5.729 309 HZ3 LYS 36 2HZ LYS 36 5.077 12.898 6.003 310 H ARG 37 H ARG 37 6.322 8.454 0.965 311 HA ARG 37 HA ARG 37 7.696 8.969 -1.465 312 HB2 ARG 37 2HB ARG 37 9.143 7.563 -0.445 313 HB3 ARG 37 1HB ARG 37 7.947 7.385 0.835 314 HG2 ARG 37 2HG ARG 37 6.964 5.464 -0.258 315 HG3 ARG 37 1HG ARG 37 7.969 5.708 -1.689 316 HD2 ARG 37 2HD ARG 37 9.174 5.243 1.048 317 HD3 ARG 37 1HD ARG 37 8.793 3.912 -0.060 318 HE ARG 37 HE ARG 37 10.269 5.080 -1.743 319 HH11 ARG 37 1HH1 ARG 37 11.859 4.078 0.671 320 HH12 ARG 37 2HH1 ARG 37 12.867 5.450 0.993 321 HH21 ARG 37 1HH2 ARG 37 10.975 7.627 -0.930 322 HH22 ARG 37 2HH2 ARG 37 12.366 7.458 0.088 323 H VAL 38 H VAL 38 4.794 7.269 -0.912 324 HA VAL 38 HA VAL 38 5.021 5.761 -3.462 325 HB VAL 38 HB VAL 38 2.861 4.756 -2.556 326 HG11 VAL 38 1HG1 VAL 38 4.014 3.362 -0.963 327 HG12 VAL 38 2HG1 VAL 38 5.217 4.614 -0.656 328 HG13 VAL 38 3HG1 VAL 38 5.178 3.792 -2.216 329 HG21 VAL 38 3HG2 VAL 38 3.663 6.136 -0.000 330 HG22 VAL 38 1HG2 VAL 38 2.150 5.315 -0.372 331 HG23 VAL 38 2HG2 VAL 38 2.517 6.872 -1.113 332 H GLY 39 H GLY 39 3.455 8.492 -2.011 333 HA2 GLY 39 2HA GLY 39 2.540 10.260 -3.417 334 HA3 GLY 39 1HA GLY 39 2.115 9.038 -4.613 335 H LEU 40 H LEU 40 1.449 8.675 -1.155 336 HA LEU 40 HA LEU 40 -1.416 9.367 -1.592 337 HB2 LEU 40 2HB LEU 40 -1.860 7.062 -0.402 338 HB3 LEU 40 1HB LEU 40 -1.542 7.086 -2.137 339 HG LEU 40 HG LEU 40 0.869 6.957 -0.467 340 HD11 LEU 40 1HD1 LEU 40 0.324 4.353 -0.288 341 HD12 LEU 40 2HD1 LEU 40 -1.334 4.951 -0.220 342 HD13 LEU 40 3HD1 LEU 40 -0.156 5.474 0.983 343 HD21 LEU 40 3HD2 LEU 40 1.077 4.914 -2.158 344 HD22 LEU 40 1HD2 LEU 40 1.286 6.572 -2.720 345 HD23 LEU 40 2HD2 LEU 40 -0.251 5.745 -2.965 346 H SER 41 H SER 41 -2.625 9.207 0.538 347 HA SER 41 HA SER 41 -1.107 10.476 2.672 348 HB2 SER 41 2HB SER 41 -3.868 9.779 1.967 349 HB3 SER 41 1HB SER 41 -3.538 9.607 3.690 350 HG SER 41 HG SER 41 -4.208 11.757 2.884 351 HA PRO 42 HA PRO 42 0.102 6.893 4.732 352 HB2 PRO 42 2HB PRO 42 0.061 7.701 7.341 353 HB3 PRO 42 1HB PRO 42 1.280 8.246 6.173 354 HG2 PRO 42 2HG PRO 42 -1.137 9.657 7.179 355 HG3 PRO 42 1HG PRO 42 0.462 10.301 6.775 356 HD2 PRO 42 2HD PRO 42 -1.749 10.486 5.142 357 HD3 PRO 42 1HD PRO 42 -0.067 10.557 4.570 358 H THR 43 H THR 43 -2.704 8.448 6.338 359 HA THR 43 HA THR 43 -3.773 6.386 7.818 360 HB THR 43 HB THR 43 -4.849 8.573 6.106 361 HG1 THR 43 1HG THR 43 -4.281 8.783 8.324 362 HG21 THR 43 3HG2 THR 43 -7.203 7.676 7.017 363 HG22 THR 43 1HG2 THR 43 -6.396 6.121 6.813 364 HG23 THR 43 2HG2 THR 43 -6.581 7.208 5.435 365 HA PRO 44 HA PRO 44 -5.529 4.214 3.962 366 HB2 PRO 44 2HB PRO 44 -4.936 5.232 1.491 367 HB3 PRO 44 1HB PRO 44 -6.341 5.762 2.435 368 HG2 PRO 44 2HG PRO 44 -3.723 7.104 2.018 369 HG3 PRO 44 1HG PRO 44 -5.336 7.806 2.209 370 HD2 PRO 44 2HD PRO 44 -3.411 7.694 4.198 371 HD3 PRO 44 1HD PRO 44 -5.153 7.894 4.475 372 H CYS 45 H CYS 45 -2.362 5.761 3.269 373 HA CYS 45 HA CYS 45 -1.035 3.902 1.730 374 HB2 CYS 45 2HB CYS 45 -0.008 5.901 2.760 375 HB3 CYS 45 1HB CYS 45 -0.099 5.135 4.345 376 HG CYS 45 HG CYS 45 1.469 3.463 2.322 377 H LEU 46 H LEU 46 -1.682 3.622 5.208 378 HA LEU 46 HA LEU 46 -0.581 0.985 5.516 379 HB2 LEU 46 2HB LEU 46 -2.765 2.495 6.992 380 HB3 LEU 46 1HB LEU 46 -1.909 1.078 7.610 381 HG LEU 46 HG LEU 46 0.038 2.948 6.700 382 HD11 LEU 46 1HD1 LEU 46 -1.259 4.346 8.907 383 HD12 LEU 46 2HD1 LEU 46 -2.264 4.317 7.459 384 HD13 LEU 46 3HD1 LEU 46 -0.634 4.988 7.388 385 HD21 LEU 46 3HD2 LEU 46 0.644 1.457 8.407 386 HD22 LEU 46 1HD2 LEU 46 -0.825 1.770 9.333 387 HD23 LEU 46 2HD2 LEU 46 0.459 2.978 9.278 388 H GLU 47 H GLU 47 -3.926 2.191 5.065 389 HA GLU 47 HA GLU 47 -5.369 -0.175 4.930 390 HB2 GLU 47 2HB GLU 47 -5.416 2.357 3.280 391 HB3 GLU 47 1HB GLU 47 -6.617 1.092 3.037 392 HG2 GLU 47 2HG GLU 47 -6.059 2.150 5.801 393 HG3 GLU 47 1HG GLU 47 -7.156 3.010 4.720 394 H ARG 48 H ARG 48 -3.208 1.213 2.489 395 HA ARG 48 HA ARG 48 -3.622 -0.822 0.480 396 HB2 ARG 48 2HB ARG 48 -1.210 0.952 0.974 397 HB3 ARG 48 1HB ARG 48 -1.725 0.273 -0.571 398 HG2 ARG 48 2HG ARG 48 -3.749 1.910 0.861 399 HG3 ARG 48 1HG ARG 48 -2.359 2.788 0.225 400 HD2 ARG 48 2HD ARG 48 -3.158 2.619 -1.887 401 HD3 ARG 48 1HD ARG 48 -3.331 0.861 -1.723 402 HE ARG 48 HE ARG 48 -5.531 1.260 -0.651 403 HH11 ARG 48 1HH2 ARG 48 -4.633 3.148 -3.221 404 HH12 ARG 48 2HH2 ARG 48 -5.777 4.419 -2.942 405 HH21 ARG 48 1HH1 ARG 48 -6.731 3.239 0.175 406 HH22 ARG 48 2HH1 ARG 48 -6.963 4.470 -1.020 407 H VAL 49 H VAL 49 -0.924 -0.202 2.747 408 HA VAL 49 HA VAL 49 0.523 -2.595 2.314 409 HB VAL 49 HB VAL 49 0.530 -0.322 4.016 410 HG11 VAL 49 1HG1 VAL 49 1.084 -1.308 6.211 411 HG12 VAL 49 2HG1 VAL 49 0.707 -2.915 5.590 412 HG13 VAL 49 3HG1 VAL 49 -0.570 -1.706 5.744 413 HG21 VAL 49 3HG2 VAL 49 2.365 -1.677 2.697 414 HG22 VAL 49 1HG2 VAL 49 2.571 -2.521 4.231 415 HG23 VAL 49 2HG2 VAL 49 2.818 -0.776 4.144 416 H ARG 50 H ARG 50 -2.143 -1.901 4.585 417 HA ARG 50 HA ARG 50 -2.302 -4.246 6.051 418 HB2 ARG 50 2HB ARG 50 -4.511 -2.648 4.720 419 HB3 ARG 50 1HB ARG 50 -4.758 -3.772 6.058 420 HG2 ARG 50 2HG ARG 50 -2.735 -1.562 6.313 421 HG3 ARG 50 1HG ARG 50 -4.443 -1.224 6.582 422 HD2 ARG 50 2HD ARG 50 -4.325 -3.359 8.129 423 HD3 ARG 50 1HD ARG 50 -2.590 -2.980 8.162 424 HE ARG 50 HE ARG 50 -3.121 -1.093 9.475 425 HH11 ARG 50 1HH2 ARG 50 -4.683 0.393 7.489 426 HH12 ARG 50 2HH2 ARG 50 -6.261 0.468 8.199 427 HH21 ARG 50 1HH1 ARG 50 -5.657 -2.090 10.460 428 HH22 ARG 50 2HH1 ARG 50 -6.813 -0.938 9.881 429 H ARG 51 H ARG 51 -3.913 -3.700 2.916 430 HA ARG 51 HA ARG 51 -4.884 -6.270 2.408 431 HB2 ARG 51 2HB ARG 51 -5.424 -4.954 0.625 432 HB3 ARG 51 1HB ARG 51 -4.044 -3.894 0.908 433 HG2 ARG 51 2HG ARG 51 -3.826 -4.987 -1.279 434 HG3 ARG 51 1HG ARG 51 -2.563 -5.557 -0.190 435 HD2 ARG 51 2HD ARG 51 -3.260 -7.658 -0.731 436 HD3 ARG 51 1HD ARG 51 -4.681 -7.319 0.278 437 HE ARG 51 HE ARG 51 -4.827 -6.260 -2.466 438 HH11 ARG 51 1HH2 ARG 51 -7.128 -7.051 -0.600 439 HH12 ARG 51 2HH2 ARG 51 -7.716 -8.474 -1.394 440 HH21 ARG 51 1HH1 ARG 51 -4.891 -8.865 -3.367 441 HH22 ARG 51 2HH1 ARG 51 -6.450 -9.501 -2.959 442 H LEU 52 H LEU 52 -1.581 -5.022 1.986 443 HA LEU 52 HA LEU 52 -0.527 -7.552 0.969 444 HB2 LEU 52 2HB LEU 52 0.550 -4.900 1.912 445 HB3 LEU 52 1HB LEU 52 1.652 -6.233 1.568 446 HG LEU 52 HG LEU 52 -0.387 -5.083 -0.360 447 HD11 LEU 52 1HD1 LEU 52 2.477 -4.571 0.185 448 HD12 LEU 52 2HD1 LEU 52 1.269 -3.525 -0.559 449 HD13 LEU 52 3HD1 LEU 52 2.057 -4.779 -1.515 450 HD21 LEU 52 3HD2 LEU 52 1.149 -7.580 -0.287 451 HD22 LEU 52 1HD2 LEU 52 1.438 -6.645 -1.755 452 HD23 LEU 52 2HD2 LEU 52 -0.204 -7.126 -1.325 453 H GLU 53 H GLU 53 -1.185 -6.201 4.086 454 HA GLU 53 HA GLU 53 0.765 -7.687 5.626 455 HB2 GLU 53 2HB GLU 53 -0.970 -5.601 6.014 456 HB3 GLU 53 1HB GLU 53 -1.813 -6.902 6.854 457 HG2 GLU 53 2HG GLU 53 1.073 -6.834 7.400 458 HG3 GLU 53 1HG GLU 53 0.221 -5.386 7.932 459 H ARG 54 H ARG 54 -2.792 -8.090 5.369 460 HA ARG 54 HA ARG 54 -2.957 -10.594 6.679 461 HB2 ARG 54 2HB ARG 54 -4.590 -9.295 4.477 462 HB3 ARG 54 1HB ARG 54 -5.117 -10.732 5.355 463 HG2 ARG 54 2HG ARG 54 -4.433 -9.106 7.431 464 HG3 ARG 54 1HG ARG 54 -4.985 -7.914 6.253 465 HD2 ARG 54 2HD ARG 54 -6.744 -10.267 6.407 466 HD3 ARG 54 1HD ARG 54 -6.653 -9.352 7.925 467 HE ARG 54 HE ARG 54 -7.154 -7.294 6.534 468 HH11 ARG 54 1HH2 ARG 54 -9.105 -9.897 6.459 469 HH12 ARG 54 2HH2 ARG 54 -9.794 -9.620 4.894 470 HH21 ARG 54 1HH1 ARG 54 -7.506 -7.161 4.031 471 HH22 ARG 54 2HH1 ARG 54 -8.888 -8.070 3.519 472 H GLN 55 H GLN 55 -1.820 -9.819 3.479 473 HA GLN 55 HA GLN 55 -2.201 -12.494 2.362 474 HB2 GLN 55 2HB GLN 55 -0.606 -10.039 1.556 475 HB3 GLN 55 1HB GLN 55 -0.766 -11.476 0.545 476 HG2 GLN 55 2HG GLN 55 -3.178 -10.009 1.624 477 HG3 GLN 55 1HG GLN 55 -2.421 -9.565 0.093 478 HE21 GLN 55 1HE2 GLN 55 -4.763 -11.605 1.465 479 HE22 GLN 55 2HE2 GLN 55 -4.909 -12.711 0.185 480 H GLY 56 H GLY 56 -0.288 -11.567 4.817 481 HA2 GLY 56 2HA GLY 56 1.643 -12.492 5.778 482 HA3 GLY 56 1HA GLY 56 1.488 -13.804 4.610 483 H PHE 57 H PHE 57 2.086 -10.299 4.202 484 HA PHE 57 HA PHE 57 4.700 -10.976 2.917 485 HB2 PHE 57 2HB PHE 57 2.418 -9.308 1.812 486 HB3 PHE 57 1HB PHE 57 4.030 -9.354 1.097 487 HD1 PHE 57 2HD PHE 57 4.763 -12.198 1.466 488 HD2 PHE 57 1HD PHE 57 1.044 -10.423 0.252 489 HE1 PHE 57 2HE PHE 57 4.162 -14.281 0.261 490 HE2 PHE 57 1HE PHE 57 0.443 -12.507 -0.951 491 HZ PHE 57 HZ PHE 57 2.001 -14.435 -0.946 492 H ILE 58 H ILE 58 3.532 -9.525 5.453 493 HA ILE 58 HA ILE 58 5.388 -7.198 5.261 494 HB ILE 58 HB ILE 58 2.626 -6.968 6.451 495 HG12 ILE 58 2HG1 ILE 58 2.509 -7.710 4.030 496 HG13 ILE 58 1HG1 ILE 58 1.791 -6.130 4.344 497 HG21 ILE 58 1HG2 ILE 58 3.004 -4.600 6.111 498 HG22 ILE 58 2HG2 ILE 58 4.485 -4.924 5.206 499 HG23 ILE 58 3HG2 ILE 58 4.411 -5.269 6.937 500 HD11 ILE 58 3HD1 ILE 58 3.651 -6.614 2.392 501 HD12 ILE 58 1HD1 ILE 58 4.672 -6.055 3.717 502 HD13 ILE 58 2HD1 ILE 58 3.362 -5.034 3.121 503 H GLN 59 H GLN 59 5.219 -9.905 6.702 504 HA GLN 59 HA GLN 59 4.870 -9.290 9.523 505 HB2 GLN 59 2HB GLN 59 5.924 -11.581 9.724 506 HB3 GLN 59 1HB GLN 59 4.530 -11.530 8.644 507 HG2 GLN 59 2HG GLN 59 5.788 -12.174 6.890 508 HG3 GLN 59 1HG GLN 59 6.952 -10.883 7.194 509 HE21 GLN 59 1HE2 GLN 59 8.511 -11.381 9.128 510 HE22 GLN 59 2HE2 GLN 59 9.057 -12.982 9.267 511 H GLY 60 H GLY 60 7.219 -8.419 7.329 512 HA2 GLY 60 2HA GLY 60 9.183 -7.965 9.521 513 HA3 GLY 60 1HA GLY 60 9.735 -8.679 8.004 514 H TYR 61 H TYR 61 8.209 -7.203 6.176 515 HA TYR 61 HA TYR 61 9.726 -4.847 5.783 516 HB2 TYR 61 2HB TYR 61 6.910 -5.569 4.911 517 HB3 TYR 61 1HB TYR 61 7.920 -4.341 4.155 518 HD1 TYR 61 1HD TYR 61 10.387 -5.200 3.539 519 HD2 TYR 61 2HD TYR 61 6.918 -7.693 3.965 520 HE1 TYR 61 1HE TYR 61 11.471 -6.946 2.152 521 HE2 TYR 61 2HE TYR 61 7.998 -9.437 2.573 522 HH TYR 61 HH TYR 61 10.627 -8.882 0.650 523 H THR 62 H THR 62 6.482 -3.862 5.699 524 HA THR 62 HA THR 62 6.989 -1.930 7.859 525 HB THR 62 HB THR 62 5.868 -1.560 5.552 526 HG1 THR 62 1HG THR 62 5.786 -0.276 7.685 527 HG21 THR 62 3HG2 THR 62 3.244 -1.765 6.070 528 HG22 THR 62 1HG2 THR 62 3.819 -3.141 7.006 529 HG23 THR 62 2HG2 THR 62 4.150 -3.052 5.279 530 H ALA 63 H ALA 63 6.513 -4.917 8.296 531 HA ALA 63 HA ALA 63 4.121 -5.700 9.334 532 HB1 ALA 63 1HB ALA 63 6.537 -5.925 11.097 533 HB2 ALA 63 2HB ALA 63 6.614 -6.612 9.475 534 HB3 ALA 63 3HB ALA 63 5.392 -7.175 10.615 535 H LEU 64 H LEU 64 6.224 -3.185 10.634 536 HA LEU 64 HA LEU 64 5.172 -2.772 13.202 537 HB2 LEU 64 2HB LEU 64 5.791 -0.346 12.673 538 HB3 LEU 64 1HB LEU 64 7.064 -1.529 12.384 539 HG LEU 64 HG LEU 64 5.705 -1.515 9.974 540 HD11 LEU 64 1HD1 LEU 64 5.823 1.310 11.070 541 HD12 LEU 64 2HD1 LEU 64 4.360 0.417 10.660 542 HD13 LEU 64 3HD1 LEU 64 5.490 0.890 9.390 543 HD21 LEU 64 3HD2 LEU 64 7.706 -0.653 9.114 544 HD22 LEU 64 1HD2 LEU 64 8.226 -1.322 10.662 545 HD23 LEU 64 2HD2 LEU 64 7.953 0.412 10.498 546 H LEU 65 H LEU 65 3.861 -1.947 10.075 547 HA LEU 65 HA LEU 65 1.774 -0.195 10.856 548 HB2 LEU 65 2HB LEU 65 1.071 -0.497 8.638 549 HB3 LEU 65 1HB LEU 65 2.757 -0.996 8.538 550 HG LEU 65 HG LEU 65 1.510 -2.673 7.384 551 HD11 LEU 65 1HD1 LEU 65 2.958 -4.046 8.457 552 HD12 LEU 65 2HD1 LEU 65 1.524 -4.572 9.339 553 HD13 LEU 65 3HD1 LEU 65 2.592 -3.363 10.036 554 HD21 LEU 65 3HD2 LEU 65 -0.270 -3.740 9.311 555 HD22 LEU 65 1HD2 LEU 65 -0.680 -2.918 7.808 556 HD23 LEU 65 2HD2 LEU 65 -0.520 -1.995 9.301 557 H ASN 66 H ASN 66 -0.458 -0.623 11.327 558 HA ASN 66 HA ASN 66 -2.235 -1.808 12.342 559 HB2 ASN 66 2HB ASN 66 -1.925 -3.067 10.194 560 HB3 ASN 66 1HB ASN 66 -0.819 -4.155 11.035 561 HD21 ASN 66 1HD2 ASN 66 -4.096 -3.684 10.237 562 HD22 ASN 66 2HD2 ASN 66 -4.774 -4.778 11.344 Start of MODEL 26 1 H1 MET 1 1HT MET 1 14.385 -8.913 -19.027 2 H2 MET 1 2HT MET 1 13.479 -10.211 -19.643 3 H3 MET 1 3HT MET 1 14.682 -10.491 -18.477 4 HA MET 1 HA MET 1 12.174 -8.952 -18.028 5 HB2 MET 1 2HB MET 1 12.396 -11.597 -18.407 6 HB3 MET 1 1HB MET 1 12.898 -11.540 -16.717 7 HG2 MET 1 2HG MET 1 10.573 -11.789 -16.538 8 HG3 MET 1 1HG MET 1 10.777 -10.042 -16.400 9 HE1 MET 1 2HE MET 1 10.124 -8.451 -17.631 10 HE2 MET 1 3HE MET 1 8.439 -8.962 -17.563 11 HE3 MET 1 1HE MET 1 9.145 -8.435 -19.096 12 H VAL 2 H VAL 2 12.265 -7.707 -16.185 13 HA VAL 2 HA VAL 2 14.767 -7.556 -14.665 14 HB VAL 2 HB VAL 2 13.263 -5.639 -15.373 15 HG11 VAL 2 1HG1 VAL 2 11.540 -6.208 -13.006 16 HG12 VAL 2 2HG1 VAL 2 11.227 -7.138 -14.471 17 HG13 VAL 2 3HG1 VAL 2 11.144 -5.377 -14.510 18 HG21 VAL 2 3HG2 VAL 2 14.927 -5.758 -13.317 19 HG22 VAL 2 1HG2 VAL 2 13.440 -5.636 -12.378 20 HG23 VAL 2 2HG2 VAL 2 13.866 -4.363 -13.521 21 H ASP 3 H ASP 3 15.142 -8.510 -12.686 22 HA ASP 3 HA ASP 3 13.122 -10.351 -11.592 23 HB2 ASP 3 2HB ASP 3 15.034 -10.903 -10.067 24 HB3 ASP 3 1HB ASP 3 15.485 -10.975 -11.770 25 H SER 4 H SER 4 12.164 -7.729 -11.381 26 HA SER 4 HA SER 4 12.823 -6.457 -8.869 27 HB2 SER 4 2HB SER 4 11.619 -5.660 -11.082 28 HB3 SER 4 1HB SER 4 10.166 -6.220 -10.257 29 HG SER 4 HG SER 4 10.903 -3.942 -9.932 30 H LYS 5 H LYS 5 10.847 -6.098 -7.266 31 HA LYS 5 HA LYS 5 10.325 -8.522 -5.889 32 HB2 LYS 5 2HB LYS 5 9.420 -5.695 -5.873 33 HB3 LYS 5 1HB LYS 5 8.338 -6.839 -5.078 34 HG2 LYS 5 2HG LYS 5 10.280 -7.693 -3.757 35 HG3 LYS 5 1HG LYS 5 11.286 -6.444 -4.490 36 HD2 LYS 5 2HD LYS 5 10.633 -5.091 -2.803 37 HD3 LYS 5 1HD LYS 5 9.046 -5.055 -3.574 38 HE2 LYS 5 2HE LYS 5 9.920 -7.149 -1.546 39 HE3 LYS 5 1HE LYS 5 8.888 -5.753 -1.182 40 HZ1 LYS 5 3HZ LYS 5 8.311 -8.113 -2.817 41 HZ2 LYS 5 1HZ LYS 5 7.637 -6.635 -3.305 42 HZ3 LYS 5 2HZ LYS 5 7.292 -7.256 -1.762 43 H LYS 6 H LYS 6 8.526 -9.922 -5.892 44 HA LYS 6 HA LYS 6 6.618 -9.577 -8.176 45 HB2 LYS 6 2HB LYS 6 7.849 -11.951 -6.772 46 HB3 LYS 6 1HB LYS 6 6.441 -12.130 -7.819 47 HG2 LYS 6 2HG LYS 6 8.171 -10.546 -9.315 48 HG3 LYS 6 1HG LYS 6 9.242 -11.712 -8.537 49 HD2 LYS 6 2HD LYS 6 6.696 -12.690 -9.782 50 HD3 LYS 6 1HD LYS 6 8.068 -12.313 -10.825 51 HE2 LYS 6 2HE LYS 6 9.295 -13.762 -8.841 52 HE3 LYS 6 1HE LYS 6 7.714 -14.562 -8.945 53 HZ1 LYS 6 3HZ LYS 6 9.241 -13.811 -11.365 54 HZ2 LYS 6 1HZ LYS 6 7.964 -14.920 -11.228 55 HZ3 LYS 6 2HZ LYS 6 9.494 -15.303 -10.593 56 H ARG 7 H ARG 7 6.901 -9.792 -4.751 57 HA ARG 7 HA ARG 7 5.248 -10.080 -3.051 58 HB2 ARG 7 2HB ARG 7 3.497 -8.510 -4.925 59 HB3 ARG 7 1HB ARG 7 3.829 -8.228 -3.215 60 HG2 ARG 7 2HG ARG 7 5.179 -6.571 -4.023 61 HG3 ARG 7 1HG ARG 7 6.320 -7.897 -4.249 62 HD2 ARG 7 2HD ARG 7 6.126 -7.830 -6.529 63 HD3 ARG 7 1HD ARG 7 4.376 -7.540 -6.460 64 HE ARG 7 HE ARG 7 5.001 -5.164 -5.735 65 HH11 ARG 7 1HH1 ARG 7 5.769 -6.228 -8.639 66 HH12 ARG 7 2HH1 ARG 7 7.246 -5.352 -8.856 67 HH21 ARG 7 1HH2 ARG 7 7.503 -4.436 -5.522 68 HH22 ARG 7 2HH2 ARG 7 8.228 -4.336 -7.092 69 HA PRO 8 HA PRO 8 1.956 -12.844 -4.164 70 HB2 PRO 8 2HB PRO 8 -0.508 -11.703 -3.830 71 HB3 PRO 8 1HB PRO 8 0.530 -12.181 -2.474 72 HG2 PRO 8 2HG PRO 8 0.000 -9.489 -3.594 73 HG3 PRO 8 1HG PRO 8 0.338 -9.975 -1.928 74 HD2 PRO 8 2HD PRO 8 2.161 -8.813 -3.658 75 HD3 PRO 8 1HD PRO 8 2.585 -9.727 -2.198 76 H GLY 9 H GLY 9 2.510 -10.263 -6.091 77 HA2 GLY 9 2HA GLY 9 1.804 -9.592 -8.238 78 HA3 GLY 9 1HA GLY 9 1.810 -11.333 -8.522 79 H LYS 10 H LYS 10 -0.036 -11.354 -9.854 80 HA LYS 10 HA LYS 10 -2.343 -11.199 -10.387 81 HB2 LYS 10 2HB LYS 10 -1.845 -12.946 -8.442 82 HB3 LYS 10 1HB LYS 10 -2.815 -11.821 -7.491 83 HG2 LYS 10 2HG LYS 10 -4.722 -12.131 -8.839 84 HG3 LYS 10 1HG LYS 10 -3.779 -12.795 -10.175 85 HD2 LYS 10 2HD LYS 10 -3.454 -14.347 -7.722 86 HD3 LYS 10 1HD LYS 10 -5.137 -14.273 -8.243 87 HE2 LYS 10 2HE LYS 10 -4.738 -15.515 -10.131 88 HE3 LYS 10 1HE LYS 10 -3.149 -14.772 -10.398 89 HZ1 LYS 10 3HZ LYS 10 -2.542 -15.969 -8.214 90 HZ2 LYS 10 1HZ LYS 10 -2.597 -16.877 -9.646 91 HZ3 LYS 10 2HZ LYS 10 -3.890 -16.947 -8.547 92 H ASP 11 H ASP 11 -4.169 -10.613 -7.890 93 HA ASP 11 HA ASP 11 -4.693 -7.861 -8.483 94 HB2 ASP 11 2HB ASP 11 -5.627 -10.011 -6.742 95 HB3 ASP 11 1HB ASP 11 -5.723 -8.440 -5.947 96 H LEU 12 H LEU 12 -3.000 -6.412 -8.104 97 HA LEU 12 HA LEU 12 -2.150 -6.095 -5.263 98 HB2 LEU 12 2HB LEU 12 -0.583 -7.084 -7.508 99 HB3 LEU 12 1HB LEU 12 0.137 -5.625 -6.827 100 HG LEU 12 HG LEU 12 -0.775 -7.922 -5.088 101 HD11 LEU 12 1HD1 LEU 12 2.106 -7.511 -5.791 102 HD12 LEU 12 2HD1 LEU 12 1.080 -8.380 -6.933 103 HD13 LEU 12 3HD1 LEU 12 1.276 -8.984 -5.288 104 HD21 LEU 12 3HD2 LEU 12 0.681 -5.351 -4.749 105 HD22 LEU 12 1HD2 LEU 12 1.293 -6.721 -3.821 106 HD23 LEU 12 2HD2 LEU 12 -0.380 -6.198 -3.625 107 H ASP 13 H ASP 13 -3.302 -4.112 -5.145 108 HA ASP 13 HA ASP 13 -3.541 -2.068 -7.020 109 HB2 ASP 13 2HB ASP 13 -4.154 -2.469 -4.392 110 HB3 ASP 13 1HB ASP 13 -2.899 -1.238 -4.246 111 H ARG 14 H ARG 14 -2.222 -0.406 -7.761 112 HA ARG 14 HA ARG 14 0.553 -0.704 -7.915 113 HB2 ARG 14 2HB ARG 14 -1.135 1.819 -7.920 114 HB3 ARG 14 1HB ARG 14 0.489 1.688 -8.595 115 HG2 ARG 14 2HG ARG 14 -2.026 0.291 -9.529 116 HG3 ARG 14 1HG ARG 14 -1.006 1.406 -10.438 117 HD2 ARG 14 2HD ARG 14 0.860 -0.243 -10.341 118 HD3 ARG 14 1HD ARG 14 -0.218 -1.375 -9.500 119 HE ARG 14 HE ARG 14 -1.737 -0.789 -11.651 120 HH11 ARG 14 1HH1 ARG 14 1.372 -2.107 -11.159 121 HH12 ARG 14 2HH1 ARG 14 1.638 -2.488 -12.828 122 HH21 ARG 14 1HH2 ARG 14 -1.295 -0.990 -13.913 123 HH22 ARG 14 2HH2 ARG 14 0.127 -1.858 -14.386 124 H ILE 15 H ILE 15 -1.363 0.610 -5.304 125 HA ILE 15 HA ILE 15 0.804 2.034 -3.986 126 HB ILE 15 HB ILE 15 -1.744 0.946 -2.776 127 HG12 ILE 15 2HG1 ILE 15 -2.455 1.992 -4.816 128 HG13 ILE 15 1HG1 ILE 15 -2.716 3.179 -3.539 129 HG21 ILE 15 1HG2 ILE 15 0.365 2.751 -1.956 130 HG22 ILE 15 2HG2 ILE 15 -1.004 2.147 -1.019 131 HG23 ILE 15 3HG2 ILE 15 -1.181 3.601 -2.002 132 HD11 ILE 15 3HD1 ILE 15 -1.576 4.541 -4.988 133 HD12 ILE 15 1HD1 ILE 15 -0.743 3.193 -5.763 134 HD13 ILE 15 2HD1 ILE 15 -0.176 3.804 -4.209 135 H ASP 16 H ASP 16 -0.566 -1.221 -3.784 136 HA ASP 16 HA ASP 16 0.934 -1.978 -1.408 137 HB2 ASP 16 2HB ASP 16 -0.459 -3.560 -3.600 138 HB3 ASP 16 1HB ASP 16 0.090 -4.237 -2.066 139 H ARG 17 H ARG 17 1.401 -2.363 -4.920 140 HA ARG 17 HA ARG 17 3.715 -4.056 -4.752 141 HB2 ARG 17 2HB ARG 17 2.336 -2.333 -6.759 142 HB3 ARG 17 1HB ARG 17 3.983 -2.844 -7.129 143 HG2 ARG 17 2HG ARG 17 3.414 -5.103 -7.190 144 HG3 ARG 17 1HG ARG 17 1.998 -4.877 -6.162 145 HD2 ARG 17 2HD ARG 17 0.671 -4.117 -7.926 146 HD3 ARG 17 1HD ARG 17 2.068 -3.539 -8.856 147 HE ARG 17 HE ARG 17 2.138 -6.417 -8.415 148 HH11 ARG 17 1HH2 ARG 17 -0.506 -5.333 -9.756 149 HH12 ARG 17 2HH2 ARG 17 -0.127 -5.652 -11.416 150 HH21 ARG 17 1HH1 ARG 17 3.243 -6.206 -10.816 151 HH22 ARG 17 2HH1 ARG 17 1.994 -6.151 -12.014 152 H ASN 18 H ASN 18 3.527 -0.597 -5.572 153 HA ASN 18 HA ASN 18 6.303 -0.058 -5.413 154 HB2 ASN 18 2HB ASN 18 3.832 1.629 -4.883 155 HB3 ASN 18 1HB ASN 18 5.454 2.305 -5.038 156 HD21 ASN 18 1HD2 ASN 18 6.011 2.918 -7.130 157 HD22 ASN 18 2HD2 ASN 18 5.307 2.302 -8.547 158 H ILE 19 H ILE 19 3.826 -0.275 -2.916 159 HA ILE 19 HA ILE 19 5.405 0.863 -0.789 160 HB ILE 19 HB ILE 19 2.933 -0.815 -1.087 161 HG12 ILE 19 2HG1 ILE 19 3.491 1.808 0.334 162 HG13 ILE 19 1HG1 ILE 19 2.908 1.676 -1.325 163 HG21 ILE 19 1HG2 ILE 19 3.362 -1.834 0.894 164 HG22 ILE 19 2HG2 ILE 19 3.036 -0.258 1.615 165 HG23 ILE 19 3HG2 ILE 19 4.695 -0.740 1.264 166 HD11 ILE 19 3HD1 ILE 19 0.792 1.273 -0.646 167 HD12 ILE 19 1HD1 ILE 19 1.319 1.773 0.961 168 HD13 ILE 19 2HD1 ILE 19 1.325 0.065 0.524 169 H LEU 20 H LEU 20 4.883 -2.451 -2.001 170 HA LEU 20 HA LEU 20 6.473 -3.739 0.055 171 HB2 LEU 20 2HB LEU 20 5.451 -4.435 -2.709 172 HB3 LEU 20 1HB LEU 20 6.460 -5.563 -1.802 173 HG LEU 20 HG LEU 20 3.833 -4.376 -0.858 174 HD11 LEU 20 1HD1 LEU 20 3.288 -6.046 -2.431 175 HD12 LEU 20 2HD1 LEU 20 3.261 -6.910 -0.894 176 HD13 LEU 20 3HD1 LEU 20 4.655 -7.058 -1.964 177 HD21 LEU 20 3HD2 LEU 20 6.059 -5.653 0.533 178 HD22 LEU 20 1HD2 LEU 20 4.552 -6.544 0.751 179 HD23 LEU 20 2HD2 LEU 20 4.643 -4.842 1.201 180 H ASN 21 H ASN 21 7.144 -2.425 -3.190 181 HA ASN 21 HA ASN 21 9.876 -3.350 -3.358 182 HB2 ASN 21 2HB ASN 21 8.290 -2.483 -5.181 183 HB3 ASN 21 1HB ASN 21 8.660 -0.864 -4.591 184 HD21 ASN 21 1HD2 ASN 21 9.426 -2.356 -7.193 185 HD22 ASN 21 2HD2 ASN 21 11.108 -2.151 -7.294 186 H GLU 22 H GLU 22 8.290 -0.596 -1.860 187 HA GLU 22 HA GLU 22 10.699 0.955 -1.396 188 HB2 GLU 22 2HB GLU 22 7.817 1.001 -0.793 189 HB3 GLU 22 1HB GLU 22 8.811 1.709 0.482 190 HG2 GLU 22 2HG GLU 22 9.029 2.444 -2.451 191 HG3 GLU 22 1HG GLU 22 8.110 3.368 -1.264 192 H LEU 23 H LEU 23 8.822 -1.427 0.462 193 HA LEU 23 HA LEU 23 10.348 -1.165 2.901 194 HB2 LEU 23 2HB LEU 23 8.599 -3.312 1.669 195 HB3 LEU 23 1HB LEU 23 9.269 -3.445 3.296 196 HG LEU 23 HG LEU 23 7.681 -1.031 2.409 197 HD11 LEU 23 1HD1 LEU 23 6.232 -2.812 4.166 198 HD12 LEU 23 2HD1 LEU 23 6.680 -3.655 2.684 199 HD13 LEU 23 3HD1 LEU 23 5.745 -2.162 2.601 200 HD21 LEU 23 3HD2 LEU 23 9.258 -1.230 4.528 201 HD22 LEU 23 1HD2 LEU 23 7.886 -2.111 5.201 202 HD23 LEU 23 2HD2 LEU 23 7.685 -0.444 4.663 203 H GLN 24 H GLN 24 10.694 -3.062 -0.057 204 HA GLN 24 HA GLN 24 12.833 -4.774 0.898 205 HB2 GLN 24 2HB GLN 24 11.456 -5.364 -1.022 206 HB3 GLN 24 1HB GLN 24 11.886 -3.864 -1.842 207 HG2 GLN 24 2HG GLN 24 13.854 -4.708 -2.584 208 HG3 GLN 24 1HG GLN 24 14.222 -5.439 -1.020 209 HE21 GLN 24 1HE2 GLN 24 14.322 -6.600 -3.864 210 HE22 GLN 24 2HE2 GLN 24 13.396 -8.019 -3.766 211 H LYS 25 H LYS 25 12.651 -1.665 -0.819 212 HA LYS 25 HA LYS 25 15.570 -1.400 -0.998 213 HB2 LYS 25 2HB LYS 25 15.033 0.424 -2.346 214 HB3 LYS 25 1HB LYS 25 13.545 -0.505 -2.486 215 HG2 LYS 25 2HG LYS 25 12.622 1.514 -1.895 216 HG3 LYS 25 1HG LYS 25 12.937 0.888 -0.280 217 HD2 LYS 25 2HD LYS 25 14.771 2.266 0.053 218 HD3 LYS 25 1HD LYS 25 15.120 2.385 -1.672 219 HE2 LYS 25 2HE LYS 25 13.387 3.972 -2.032 220 HE3 LYS 25 1HE LYS 25 12.609 3.590 -0.483 221 HZ1 LYS 25 3HZ LYS 25 13.822 5.319 0.261 222 HZ2 LYS 25 1HZ LYS 25 14.925 5.250 -1.026 223 HZ3 LYS 25 2HZ LYS 25 15.097 4.197 0.296 224 H ASP 26 H ASP 26 13.000 -0.442 1.145 225 HA ASP 26 HA ASP 26 15.038 0.688 2.992 226 HB2 ASP 26 2HB ASP 26 13.403 2.243 1.406 227 HB3 ASP 26 1HB ASP 26 12.469 2.134 2.898 228 H GLY 27 H GLY 27 14.283 -1.719 3.623 229 HA2 GLY 27 2HA GLY 27 11.781 -2.323 4.697 230 HA3 GLY 27 1HA GLY 27 13.286 -2.971 5.345 231 H ARG 28 H ARG 28 14.222 -0.179 5.989 232 HA ARG 28 HA ARG 28 12.860 -0.006 8.614 233 HB2 ARG 28 2HB ARG 28 15.307 1.317 7.398 234 HB3 ARG 28 1HB ARG 28 14.797 1.521 9.073 235 HG2 ARG 28 2HG ARG 28 16.427 -0.214 9.128 236 HG3 ARG 28 1HG ARG 28 14.871 -1.038 9.245 237 HD2 ARG 28 2HD ARG 28 14.983 -1.845 7.045 238 HD3 ARG 28 1HD ARG 28 16.114 -0.573 6.538 239 HE ARG 28 HE ARG 28 17.582 -1.842 8.442 240 HH11 ARG 28 1HH1 ARG 28 15.965 -4.303 8.208 241 HH12 ARG 28 2HH1 ARG 28 16.761 -5.169 6.936 242 HH21 ARG 28 1HH2 ARG 28 18.482 -2.397 5.766 243 HH22 ARG 28 2HH2 ARG 28 18.183 -4.090 5.553 244 H ILE 29 H ILE 29 10.837 0.915 7.656 245 HA ILE 29 HA ILE 29 10.944 3.853 7.631 246 HB ILE 29 HB ILE 29 11.518 3.093 5.313 247 HG12 ILE 29 2HG1 ILE 29 8.817 4.444 5.629 248 HG13 ILE 29 1HG1 ILE 29 10.385 5.252 5.659 249 HG21 ILE 29 1HG2 ILE 29 8.673 2.113 5.133 250 HG22 ILE 29 2HG2 ILE 29 9.983 1.025 5.589 251 HG23 ILE 29 3HG2 ILE 29 10.007 1.823 4.017 252 HD11 ILE 29 3HD1 ILE 29 9.532 3.571 3.303 253 HD12 ILE 29 1HD1 ILE 29 10.787 4.807 3.370 254 HD13 ILE 29 2HD1 ILE 29 9.088 5.273 3.426 255 H SER 30 H SER 30 9.009 4.688 8.363 256 HA SER 30 HA SER 30 6.935 2.765 9.176 257 HB2 SER 30 2HB SER 30 6.234 5.477 9.707 258 HB3 SER 30 1HB SER 30 6.841 4.283 10.850 259 HG SER 30 HG SER 30 8.916 4.922 10.392 260 H ASN 31 H ASN 31 4.619 3.230 8.644 261 HA ASN 31 HA ASN 31 4.087 3.417 5.886 262 HB2 ASN 31 2HB ASN 31 2.656 3.411 8.432 263 HB3 ASN 31 1HB ASN 31 1.811 4.363 7.210 264 HD21 ASN 31 1HD2 ASN 31 2.232 1.198 8.341 265 HD22 ASN 31 2HD2 ASN 31 1.686 0.365 6.967 266 H VAL 32 H VAL 32 4.409 6.014 8.270 267 HA VAL 32 HA VAL 32 3.230 8.166 6.889 268 HB VAL 32 HB VAL 32 5.743 7.924 8.574 269 HG11 VAL 32 1HG1 VAL 32 6.064 9.959 7.397 270 HG12 VAL 32 2HG1 VAL 32 5.319 10.444 8.920 271 HG13 VAL 32 3HG1 VAL 32 4.347 10.356 7.451 272 HG21 VAL 32 3HG2 VAL 32 3.969 9.239 10.095 273 HG22 VAL 32 1HG2 VAL 32 4.006 7.477 10.025 274 HG23 VAL 32 2HG2 VAL 32 2.833 8.373 9.061 275 H GLU 33 H GLU 33 6.742 7.438 6.798 276 HA GLU 33 HA GLU 33 7.258 8.930 4.410 277 HB2 GLU 33 2HB GLU 33 8.656 7.469 6.344 278 HB3 GLU 33 1HB GLU 33 8.948 6.580 4.849 279 HG2 GLU 33 2HG GLU 33 10.669 8.186 4.860 280 HG3 GLU 33 1HG GLU 33 9.445 8.916 3.819 281 H LEU 34 H LEU 34 6.109 5.678 5.038 282 HA LEU 34 HA LEU 34 6.454 4.641 2.360 283 HB2 LEU 34 2HB LEU 34 5.753 3.725 4.901 284 HB3 LEU 34 1HB LEU 34 4.280 3.518 3.952 285 HG LEU 34 HG LEU 34 7.033 2.495 3.187 286 HD11 LEU 34 1HD1 LEU 34 6.178 1.121 4.944 287 HD12 LEU 34 2HD1 LEU 34 5.812 0.262 3.448 288 HD13 LEU 34 3HD1 LEU 34 4.545 1.164 4.279 289 HD21 LEU 34 3HD2 LEU 34 5.489 1.234 1.482 290 HD22 LEU 34 1HD2 LEU 34 5.960 2.900 1.142 291 HD23 LEU 34 2HD2 LEU 34 4.362 2.554 1.801 292 H SER 35 H SER 35 4.276 6.852 3.800 293 HA SER 35 HA SER 35 2.036 6.325 1.965 294 HB2 SER 35 2HB SER 35 0.926 7.917 3.305 295 HB3 SER 35 1HB SER 35 2.022 7.107 4.430 296 HG SER 35 HG SER 35 3.489 8.826 4.106 297 H LYS 36 H LYS 36 4.480 8.893 2.471 298 HA LYS 36 HA LYS 36 3.537 10.405 0.129 299 HB2 LYS 36 2HB LYS 36 5.936 10.687 1.972 300 HB3 LYS 36 1HB LYS 36 5.404 11.902 0.810 301 HG2 LYS 36 2HG LYS 36 3.501 12.438 2.029 302 HG3 LYS 36 1HG LYS 36 3.425 10.853 2.799 303 HD2 LYS 36 2HD LYS 36 5.653 11.529 3.938 304 HD3 LYS 36 1HD LYS 36 5.235 13.174 3.455 305 HE2 LYS 36 2HE LYS 36 2.868 12.417 4.537 306 HE3 LYS 36 1HE LYS 36 3.978 11.440 5.516 307 HZ1 LYS 36 3HZ LYS 36 4.069 13.442 6.615 308 HZ2 LYS 36 1HZ LYS 36 3.857 14.361 5.204 309 HZ3 LYS 36 2HZ LYS 36 5.357 13.630 5.524 310 H ARG 37 H ARG 37 5.839 7.883 0.721 311 HA ARG 37 HA ARG 37 7.635 8.532 -1.480 312 HB2 ARG 37 2HB ARG 37 7.155 6.263 0.425 313 HB3 ARG 37 1HB ARG 37 8.230 6.016 -0.952 314 HG2 ARG 37 2HG ARG 37 9.313 8.267 -0.175 315 HG3 ARG 37 1HG ARG 37 8.532 7.904 1.363 316 HD2 ARG 37 2HD ARG 37 9.762 5.895 1.648 317 HD3 ARG 37 1HD ARG 37 10.236 5.850 -0.061 318 HE ARG 37 HE ARG 37 11.651 7.278 1.967 319 HH11 ARG 37 1HH2 ARG 37 10.656 7.316 -1.319 320 HH12 ARG 37 2HH2 ARG 37 11.676 8.646 -1.757 321 HH21 ARG 37 1HH1 ARG 37 12.848 9.156 1.467 322 HH22 ARG 37 2HH1 ARG 37 12.917 9.688 -0.180 323 H VAL 38 H VAL 38 4.590 7.017 -1.225 324 HA VAL 38 HA VAL 38 4.911 5.750 -3.916 325 HB VAL 38 HB VAL 38 2.622 4.705 -3.012 326 HG11 VAL 38 1HG1 VAL 38 5.069 3.740 -3.419 327 HG12 VAL 38 2HG1 VAL 38 3.841 2.796 -2.576 328 HG13 VAL 38 3HG1 VAL 38 5.071 3.665 -1.657 329 HG21 VAL 38 3HG2 VAL 38 2.675 4.435 -0.579 330 HG22 VAL 38 1HG2 VAL 38 2.629 6.150 -0.982 331 HG23 VAL 38 2HG2 VAL 38 4.145 5.402 -0.489 332 H GLY 39 H GLY 39 3.634 8.438 -2.368 333 HA2 GLY 39 2HA GLY 39 2.531 10.236 -3.478 334 HA3 GLY 39 1HA GLY 39 2.097 9.133 -4.781 335 H LEU 40 H LEU 40 1.502 8.784 -1.276 336 HA LEU 40 HA LEU 40 -1.396 9.265 -1.698 337 HB2 LEU 40 2HB LEU 40 -1.762 6.959 -0.551 338 HB3 LEU 40 1HB LEU 40 -1.340 6.968 -2.264 339 HG LEU 40 HG LEU 40 1.054 7.023 -0.674 340 HD11 LEU 40 1HD1 LEU 40 -0.472 4.485 -0.216 341 HD12 LEU 40 2HD1 LEU 40 -0.763 5.851 0.861 342 HD13 LEU 40 3HD1 LEU 40 0.858 5.171 0.716 343 HD21 LEU 40 3HD2 LEU 40 1.328 6.165 -2.803 344 HD22 LEU 40 1HD2 LEU 40 -0.234 5.349 -2.786 345 HD23 LEU 40 2HD2 LEU 40 1.131 4.660 -1.909 346 H SER 41 H SER 41 -2.575 9.091 0.430 347 HA SER 41 HA SER 41 -1.066 10.379 2.565 348 HB2 SER 41 2HB SER 41 -3.542 9.379 3.494 349 HB3 SER 41 1HB SER 41 -3.208 11.018 2.943 350 HG SER 41 HG SER 41 -4.604 10.491 1.450 351 HA PRO 42 HA PRO 42 0.138 6.786 4.603 352 HB2 PRO 42 2HB PRO 42 0.060 7.548 7.224 353 HB3 PRO 42 1HB PRO 42 1.278 8.138 6.077 354 HG2 PRO 42 2HG PRO 42 -1.160 9.488 7.106 355 HG3 PRO 42 1HG PRO 42 0.421 10.169 6.694 356 HD2 PRO 42 2HD PRO 42 -1.828 10.302 5.085 357 HD3 PRO 42 1HD PRO 42 -0.155 10.478 4.512 358 H THR 43 H THR 43 -2.659 8.273 6.301 359 HA THR 43 HA THR 43 -3.720 6.152 7.689 360 HB THR 43 HB THR 43 -5.702 7.456 5.954 361 HG1 THR 43 1HG THR 43 -5.097 9.521 7.084 362 HG21 THR 43 3HG2 THR 43 -6.841 7.369 7.891 363 HG22 THR 43 1HG2 THR 43 -5.588 8.284 8.730 364 HG23 THR 43 2HG2 THR 43 -5.452 6.530 8.584 365 HA PRO 44 HA PRO 44 -5.490 4.171 3.745 366 HB2 PRO 44 2HB PRO 44 -4.767 5.220 1.320 367 HB3 PRO 44 1HB PRO 44 -6.184 5.786 2.226 368 HG2 PRO 44 2HG PRO 44 -3.500 7.027 1.941 369 HG3 PRO 44 1HG PRO 44 -5.090 7.791 2.081 370 HD2 PRO 44 2HD PRO 44 -3.259 7.563 4.143 371 HD3 PRO 44 1HD PRO 44 -5.003 7.816 4.356 372 H CYS 45 H CYS 45 -2.267 5.640 3.115 373 HA CYS 45 HA CYS 45 -0.967 3.661 1.676 374 HB2 CYS 45 2HB CYS 45 0.040 5.752 2.588 375 HB3 CYS 45 1HB CYS 45 0.016 5.039 4.199 376 HG CYS 45 HG CYS 45 1.674 3.164 3.248 377 H LEU 46 H LEU 46 -1.740 3.662 5.136 378 HA LEU 46 HA LEU 46 -0.632 1.052 5.690 379 HB2 LEU 46 2HB LEU 46 -2.835 2.685 7.001 380 HB3 LEU 46 1HB LEU 46 -1.984 1.330 7.748 381 HG LEU 46 HG LEU 46 -0.062 3.181 6.692 382 HD11 LEU 46 1HD1 LEU 46 -0.746 5.228 7.363 383 HD12 LEU 46 2HD1 LEU 46 -1.387 4.600 8.884 384 HD13 LEU 46 3HD1 LEU 46 -2.367 4.531 7.419 385 HD21 LEU 46 3HD2 LEU 46 0.811 3.070 8.928 386 HD22 LEU 46 1HD2 LEU 46 0.147 1.477 8.565 387 HD23 LEU 46 2HD2 LEU 46 -0.759 2.600 9.581 388 H GLU 47 H GLU 47 -3.929 2.269 5.023 389 HA GLU 47 HA GLU 47 -5.367 -0.129 5.053 390 HB2 GLU 47 2HB GLU 47 -5.474 2.268 3.194 391 HB3 GLU 47 1HB GLU 47 -6.733 1.035 3.256 392 HG2 GLU 47 2HG GLU 47 -5.813 2.530 5.718 393 HG3 GLU 47 1HG GLU 47 -7.130 3.110 4.697 394 H ARG 48 H ARG 48 -3.248 1.195 2.527 395 HA ARG 48 HA ARG 48 -3.689 -0.917 0.598 396 HB2 ARG 48 2HB ARG 48 -1.272 0.886 0.961 397 HB3 ARG 48 1HB ARG 48 -1.838 0.158 -0.545 398 HG2 ARG 48 2HG ARG 48 -3.806 1.848 0.910 399 HG3 ARG 48 1HG ARG 48 -2.444 2.696 0.180 400 HD2 ARG 48 2HD ARG 48 -3.119 2.202 -1.968 401 HD3 ARG 48 1HD ARG 48 -3.804 0.633 -1.497 402 HE ARG 48 HE ARG 48 -5.120 3.184 -0.655 403 HH11 ARG 48 1HH1 ARG 48 -5.631 -0.045 -0.557 404 HH12 ARG 48 2HH1 ARG 48 -7.120 -0.057 -1.442 405 HH21 ARG 48 1HH2 ARG 48 -6.829 3.236 -2.490 406 HH22 ARG 48 2HH2 ARG 48 -7.797 1.800 -2.539 407 H VAL 49 H VAL 49 -1.024 -0.210 2.874 408 HA VAL 49 HA VAL 49 0.471 -2.596 2.443 409 HB VAL 49 HB VAL 49 0.408 -0.282 4.171 410 HG11 VAL 49 1HG1 VAL 49 1.396 -1.424 6.214 411 HG12 VAL 49 2HG1 VAL 49 0.805 -2.953 5.562 412 HG13 VAL 49 3HG1 VAL 49 -0.335 -1.678 5.993 413 HG21 VAL 49 3HG2 VAL 49 2.722 -2.132 4.266 414 HG22 VAL 49 1HG2 VAL 49 2.664 -0.421 3.840 415 HG23 VAL 49 2HG2 VAL 49 2.218 -1.644 2.650 416 H ARG 50 H ARG 50 -1.964 -1.833 4.956 417 HA ARG 50 HA ARG 50 -2.054 -4.216 6.367 418 HB2 ARG 50 2HB ARG 50 -4.433 -2.618 5.373 419 HB3 ARG 50 1HB ARG 50 -4.367 -3.596 6.840 420 HG2 ARG 50 2HG ARG 50 -2.199 -1.634 6.707 421 HG3 ARG 50 1HG ARG 50 -3.794 -0.881 6.679 422 HD2 ARG 50 2HD ARG 50 -2.737 -2.828 8.756 423 HD3 ARG 50 1HD ARG 50 -3.158 -1.122 8.999 424 HE ARG 50 HE ARG 50 -5.413 -2.454 7.868 425 HH11 ARG 50 1HH1 ARG 50 -3.521 -3.331 10.527 426 HH12 ARG 50 2HH1 ARG 50 -4.827 -3.330 11.665 427 HH21 ARG 50 1HH2 ARG 50 -7.123 -2.004 9.433 428 HH22 ARG 50 2HH2 ARG 50 -6.865 -2.576 11.047 429 H ARG 51 H ARG 51 -3.578 -3.496 3.254 430 HA ARG 51 HA ARG 51 -4.934 -5.957 2.863 431 HB2 ARG 51 2HB ARG 51 -5.387 -4.964 0.855 432 HB3 ARG 51 1HB ARG 51 -4.508 -3.581 1.502 433 HG2 ARG 51 2HG ARG 51 -3.478 -4.023 -0.587 434 HG3 ARG 51 1HG ARG 51 -2.390 -4.728 0.601 435 HD2 ARG 51 2HD ARG 51 -2.559 -6.643 -0.632 436 HD3 ARG 51 1HD ARG 51 -4.182 -6.796 0.071 437 HE ARG 51 HE ARG 51 -4.355 -4.961 -2.088 438 HH11 ARG 51 1HH1 ARG 51 -4.576 -8.240 -1.239 439 HH12 ARG 51 2HH1 ARG 51 -4.773 -8.811 -2.863 440 HH21 ARG 51 1HH2 ARG 51 -4.220 -5.706 -4.303 441 HH22 ARG 51 2HH2 ARG 51 -4.573 -7.377 -4.597 442 H LEU 52 H LEU 52 -1.566 -5.006 2.276 443 HA LEU 52 HA LEU 52 -0.804 -7.544 1.065 444 HB2 LEU 52 2HB LEU 52 0.661 -5.184 2.272 445 HB3 LEU 52 1HB LEU 52 1.510 -6.557 1.557 446 HG LEU 52 HG LEU 52 -0.582 -4.918 0.100 447 HD11 LEU 52 1HD1 LEU 52 1.782 -4.397 -1.150 448 HD12 LEU 52 2HD1 LEU 52 2.324 -4.529 0.523 449 HD13 LEU 52 3HD1 LEU 52 1.083 -3.354 0.090 450 HD21 LEU 52 3HD2 LEU 52 0.338 -7.454 -0.419 451 HD22 LEU 52 1HD2 LEU 52 1.455 -6.471 -1.364 452 HD23 LEU 52 2HD2 LEU 52 -0.281 -6.349 -1.645 453 H GLU 53 H GLU 53 -1.281 -6.427 4.301 454 HA GLU 53 HA GLU 53 0.555 -8.192 5.662 455 HB2 GLU 53 2HB GLU 53 -1.465 -6.218 6.224 456 HB3 GLU 53 1HB GLU 53 -1.748 -7.630 7.241 457 HG2 GLU 53 2HG GLU 53 0.901 -7.466 7.551 458 HG3 GLU 53 1HG GLU 53 0.585 -5.771 7.185 459 H ARG 54 H ARG 54 -2.985 -8.382 5.148 460 HA ARG 54 HA ARG 54 -3.141 -11.136 6.083 461 HB2 ARG 54 2HB ARG 54 -4.971 -9.207 4.632 462 HB3 ARG 54 1HB ARG 54 -5.482 -10.841 5.062 463 HG2 ARG 54 2HG ARG 54 -4.698 -10.249 7.454 464 HG3 ARG 54 1HG ARG 54 -4.710 -8.575 6.900 465 HD2 ARG 54 2HD ARG 54 -6.937 -8.532 7.332 466 HD3 ARG 54 1HD ARG 54 -7.158 -9.706 6.019 467 HE ARG 54 HE ARG 54 -6.296 -11.289 8.092 468 HH11 ARG 54 1HH1 ARG 54 -7.762 -8.683 9.317 469 HH12 ARG 54 2HH1 ARG 54 -9.226 -9.453 9.829 470 HH21 ARG 54 1HH2 ARG 54 -8.607 -12.385 8.082 471 HH22 ARG 54 2HH2 ARG 54 -9.705 -11.551 9.130 472 H GLN 55 H GLN 55 -2.720 -9.542 2.970 473 HA GLN 55 HA GLN 55 -2.329 -12.221 1.712 474 HB2 GLN 55 2HB GLN 55 -3.582 -11.053 -0.292 475 HB3 GLN 55 1HB GLN 55 -4.519 -11.763 1.021 476 HG2 GLN 55 2HG GLN 55 -4.429 -9.443 2.122 477 HG3 GLN 55 1HG GLN 55 -3.858 -8.851 0.563 478 HE21 GLN 55 1HE2 GLN 55 -6.675 -9.701 2.353 479 HE22 GLN 55 2HE2 GLN 55 -7.785 -9.620 1.071 480 H GLY 56 H GLY 56 -0.146 -10.803 2.409 481 HA2 GLY 56 2HA GLY 56 1.056 -10.140 -0.149 482 HA3 GLY 56 1HA GLY 56 0.815 -8.710 0.856 483 H PHE 57 H PHE 57 2.892 -8.254 1.510 484 HA PHE 57 HA PHE 57 4.255 -10.334 3.169 485 HB2 PHE 57 2HB PHE 57 5.394 -8.663 0.903 486 HB3 PHE 57 1HB PHE 57 6.384 -9.620 2.007 487 HD1 PHE 57 2HD PHE 57 3.558 -9.861 -0.422 488 HD2 PHE 57 1HD PHE 57 6.695 -11.936 1.652 489 HE1 PHE 57 2HE PHE 57 3.126 -11.884 -1.792 490 HE2 PHE 57 1HE PHE 57 6.263 -13.959 0.282 491 HZ PHE 57 HZ PHE 57 4.479 -13.933 -1.440 492 H ILE 58 H ILE 58 3.424 -8.940 4.957 493 HA ILE 58 HA ILE 58 5.163 -6.532 5.352 494 HB ILE 58 HB ILE 58 2.315 -6.619 6.302 495 HG12 ILE 58 2HG1 ILE 58 2.254 -7.240 3.897 496 HG13 ILE 58 1HG1 ILE 58 1.590 -5.628 4.166 497 HG21 ILE 58 1HG2 ILE 58 4.303 -4.502 5.461 498 HG22 ILE 58 2HG2 ILE 58 3.628 -4.770 7.070 499 HG23 ILE 58 3HG2 ILE 58 2.604 -4.146 5.778 500 HD11 ILE 58 3HD1 ILE 58 4.425 -5.399 3.784 501 HD12 ILE 58 1HD1 ILE 58 3.128 -4.741 2.785 502 HD13 ILE 58 2HD1 ILE 58 3.752 -6.360 2.465 503 H GLN 59 H GLN 59 4.874 -9.471 6.402 504 HA GLN 59 HA GLN 59 4.316 -9.175 9.244 505 HB2 GLN 59 2HB GLN 59 5.329 -11.499 9.246 506 HB3 GLN 59 1HB GLN 59 4.004 -11.293 8.098 507 HG2 GLN 59 2HG GLN 59 5.362 -11.765 6.365 508 HG3 GLN 59 1HG GLN 59 6.506 -10.521 6.872 509 HE21 GLN 59 1HE2 GLN 59 5.486 -13.617 8.428 510 HE22 GLN 59 2HE2 GLN 59 7.062 -14.224 8.589 511 H GLY 60 H GLY 60 6.827 -8.120 7.330 512 HA2 GLY 60 2HA GLY 60 8.608 -7.853 9.685 513 HA3 GLY 60 1HA GLY 60 9.280 -8.587 8.229 514 H TYR 61 H TYR 61 7.964 -7.014 6.287 515 HA TYR 61 HA TYR 61 9.644 -4.779 5.991 516 HB2 TYR 61 2HB TYR 61 6.817 -5.290 5.024 517 HB3 TYR 61 1HB TYR 61 7.895 -4.071 4.352 518 HD1 TYR 61 1HD TYR 61 10.184 -6.393 5.224 519 HD2 TYR 61 2HD TYR 61 6.908 -5.985 2.473 520 HE1 TYR 61 1HE TYR 61 11.209 -8.102 3.749 521 HE2 TYR 61 2HE TYR 61 7.935 -7.693 1.000 522 HH TYR 61 HH TYR 61 9.617 -9.103 0.716 523 H THR 62 H THR 62 6.443 -3.610 5.882 524 HA THR 62 HA THR 62 7.063 -1.710 8.046 525 HB THR 62 HB THR 62 6.077 -1.222 5.714 526 HG1 THR 62 1HG THR 62 4.382 0.164 7.009 527 HG21 THR 62 3HG2 THR 62 4.289 -2.640 5.371 528 HG22 THR 62 1HG2 THR 62 3.435 -1.254 6.042 529 HG23 THR 62 2HG2 THR 62 3.822 -2.630 7.068 530 H ALA 63 H ALA 63 6.399 -4.607 8.545 531 HA ALA 63 HA ALA 63 3.901 -5.231 9.470 532 HB1 ALA 63 1HB ALA 63 6.678 -5.763 10.250 533 HB2 ALA 63 2HB ALA 63 5.321 -6.881 10.130 534 HB3 ALA 63 3HB ALA 63 5.554 -5.936 11.600 535 H LEU 64 H LEU 64 6.083 -2.808 10.789 536 HA LEU 64 HA LEU 64 4.901 -2.252 13.292 537 HB2 LEU 64 2HB LEU 64 5.772 0.116 12.692 538 HB3 LEU 64 1HB LEU 64 6.947 -1.197 12.687 539 HG LEU 64 HG LEU 64 5.734 -1.116 10.101 540 HD11 LEU 64 1HD1 LEU 64 5.948 1.097 9.385 541 HD12 LEU 64 2HD1 LEU 64 7.010 1.534 10.723 542 HD13 LEU 64 3HD1 LEU 64 5.283 1.309 11.004 543 HD21 LEU 64 3HD2 LEU 64 8.016 -1.903 10.676 544 HD22 LEU 64 1HD2 LEU 64 8.482 -0.246 11.054 545 HD23 LEU 64 2HD2 LEU 64 8.054 -0.685 9.402 546 H LEU 65 H LEU 65 3.810 -1.598 10.082 547 HA LEU 65 HA LEU 65 2.063 0.518 10.255 548 HB2 LEU 65 2HB LEU 65 0.967 -0.509 8.413 549 HB3 LEU 65 1HB LEU 65 2.596 -1.193 8.376 550 HG LEU 65 HG LEU 65 1.163 -2.865 10.114 551 HD11 LEU 65 1HD1 LEU 65 -0.481 -2.903 7.659 552 HD12 LEU 65 2HD1 LEU 65 -0.770 -1.524 8.721 553 HD13 LEU 65 3HD1 LEU 65 -0.958 -3.167 9.336 554 HD21 LEU 65 3HD2 LEU 65 2.881 -3.571 8.517 555 HD22 LEU 65 1HD2 LEU 65 1.819 -3.171 7.168 556 HD23 LEU 65 2HD2 LEU 65 1.407 -4.498 8.254 557 H ASN 66 H ASN 66 1.798 -2.502 11.948 558 HA ASN 66 HA ASN 66 -1.025 -1.976 12.714 559 HB2 ASN 66 2HB ASN 66 0.563 -4.238 12.196 560 HB3 ASN 66 1HB ASN 66 0.292 -4.263 13.939 561 HD21 ASN 66 1HD2 ASN 66 -1.271 -4.587 10.807 562 HD22 ASN 66 2HD2 ASN 66 -2.805 -5.002 11.404
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